NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
7322 | 1k8o | 5078 | cing | recoord | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1HT MET 1 -18.657 10.164 -0.008 2 2H MET 1 2HT MET 1 -17.116 10.042 -0.696 3 3H MET 1 3HT MET 1 -17.541 9.050 0.606 4 HA MET 1 HA MET 1 -17.894 7.544 -1.001 5 1HB MET 1 2HB MET 1 -20.229 7.416 -1.510 6 2HB MET 1 1HB MET 1 -20.079 8.161 0.075 7 1HG MET 1 2HG MET 1 -20.200 10.390 -1.239 8 2HG MET 1 1HG MET 1 -20.877 9.392 -2.523 9 1HE MET 1 1HE MET 1 -23.092 8.638 -2.728 10 2HE MET 1 2HE MET 1 -24.342 8.548 -1.488 11 3HE MET 1 3HE MET 1 -22.997 7.408 -1.468 12 H GLY 2 H GLY 2 -16.885 7.324 -2.885 13 1HA GLY 2 2HA GLY 2 -17.188 7.528 -5.317 14 2HA GLY 2 1HA GLY 2 -17.555 9.225 -5.046 15 H GLN 3 H GLN 3 -15.024 7.874 -3.154 16 HA GLN 3 HA GLN 3 -12.962 8.757 -5.025 17 1HB GLN 3 2HB GLN 3 -12.146 9.679 -2.461 18 2HB GLN 3 1HB GLN 3 -12.425 10.617 -3.918 19 1HG GLN 3 2HG GLN 3 -14.596 11.170 -3.295 20 2HG GLN 3 1HG GLN 3 -14.696 9.855 -2.125 21 1HE2 GLN 3 1HE2 GLN 3 -15.358 11.302 -0.518 22 2HE2 GLN 3 2HE2 GLN 3 -14.243 12.372 0.255 23 H VAL 4 H VAL 4 -10.852 7.966 -4.545 24 HA VAL 4 HA VAL 4 -10.869 5.640 -2.734 25 HB VAL 4 HB VAL 4 -9.238 4.559 -4.191 26 1HG1 VAL 4 1HG1 VAL 4 -10.822 4.632 -6.353 27 2HG1 VAL 4 2HG1 VAL 4 -11.907 5.350 -5.162 28 3HG1 VAL 4 3HG1 VAL 4 -11.223 3.748 -4.880 29 1HG2 VAL 4 1HG2 VAL 4 -8.233 6.689 -5.030 30 2HG2 VAL 4 2HG2 VAL 4 -9.618 6.847 -6.111 31 3HG2 VAL 4 3HG2 VAL 4 -8.526 5.471 -6.271 32 H VAL 5 H VAL 5 -9.050 5.213 -1.503 33 HA VAL 5 HA VAL 5 -7.279 7.507 -1.057 34 HB VAL 5 HB VAL 5 -6.675 6.426 1.049 35 1HG1 VAL 5 1HG1 VAL 5 -9.545 6.078 1.332 36 2HG1 VAL 5 2HG1 VAL 5 -9.123 7.546 0.449 37 3HG1 VAL 5 3HG1 VAL 5 -8.472 7.270 2.065 38 1HG2 VAL 5 1HG2 VAL 5 -7.685 4.346 1.775 39 2HG2 VAL 5 2HG2 VAL 5 -6.828 4.090 0.253 40 3HG2 VAL 5 3HG2 VAL 5 -8.588 4.225 0.266 41 H GLN 6 H GLN 6 -5.129 7.412 -1.501 42 HA GLN 6 HA GLN 6 -4.170 4.933 -2.712 43 1HB GLN 6 2HB GLN 6 -3.533 7.823 -3.080 44 2HB GLN 6 1HB GLN 6 -2.325 6.621 -3.495 45 1HG GLN 6 2HG GLN 6 -3.382 6.044 -5.368 46 2HG GLN 6 1HG GLN 6 -4.948 5.989 -4.561 47 1HE2 GLN 6 1HE2 GLN 6 -5.670 8.318 -3.875 48 2HE2 GLN 6 2HE2 GLN 6 -5.604 9.486 -5.147 49 H PHE 7 H PHE 7 -2.290 3.958 -2.126 50 HA PHE 7 HA PHE 7 -1.165 4.771 0.455 51 1HB PHE 7 2HB PHE 7 -1.789 2.525 0.635 52 2HB PHE 7 1HB PHE 7 -1.350 2.165 -1.028 53 HD1 PHE 7 1HD PHE 7 0.170 3.072 2.250 54 HD2 PHE 7 2HD PHE 7 0.624 1.069 -1.476 55 HE1 PHE 7 1HE PHE 7 2.320 2.152 3.011 56 HE2 PHE 7 2HE PHE 7 2.773 0.145 -0.723 57 HZ PHE 7 HZ PHE 7 3.626 0.685 1.523 58 H LYS 8 H LYS 8 0.865 5.523 0.610 59 HA LYS 8 HA LYS 8 2.581 5.380 -1.782 60 1HB LYS 8 2HB LYS 8 1.702 7.613 -1.611 61 2HB LYS 8 1HB LYS 8 2.115 7.697 0.095 62 1HG LYS 8 2HG LYS 8 4.556 7.280 -0.882 63 2HG LYS 8 1HG LYS 8 3.823 8.042 -2.294 64 1HD LYS 8 2HD LYS 8 4.037 9.163 0.497 65 2HD LYS 8 1HD LYS 8 4.822 9.763 -0.965 66 1HE LYS 8 2HE LYS 8 2.539 10.207 -1.901 67 2HE LYS 8 1HE LYS 8 1.877 9.800 -0.318 68 1HZ LYS 8 1HZ LYS 8 2.093 12.141 -0.420 69 2HZ LYS 8 2HZ LYS 8 3.683 12.055 -0.987 70 3HZ LYS 8 3HZ LYS 8 3.327 11.593 0.600 71 H LEU 9 H LEU 9 4.565 4.603 -1.483 72 HA LEU 9 HA LEU 9 5.476 3.391 0.828 73 1HB LEU 9 2HB LEU 9 6.368 3.093 -1.487 74 2HB LEU 9 1HB LEU 9 7.164 4.645 -1.349 75 HG LEU 9 HG LEU 9 8.762 2.859 -1.044 76 1HD1 LEU 9 1HD1 LEU 9 9.883 3.710 0.757 77 2HD1 LEU 9 2HD1 LEU 9 8.422 3.880 1.729 78 3HD1 LEU 9 3HD1 LEU 9 8.744 5.013 0.417 79 1HD2 LEU 9 1HD2 LEU 9 8.260 0.959 -0.069 80 2HD2 LEU 9 2HD2 LEU 9 6.669 1.598 0.362 81 3HD2 LEU 9 3HD2 LEU 9 8.028 1.790 1.472 82 H SER 10 H SER 10 5.893 4.289 2.764 83 HA SER 10 HA SER 10 7.405 6.801 2.837 84 1HB SER 10 2HB SER 10 4.664 6.645 3.421 85 2HB SER 10 1HB SER 10 5.473 6.751 4.984 86 HG SER 10 HG SER 10 5.529 8.564 2.827 87 H ASP 11 H ASP 11 7.709 3.776 3.525 88 HA ASP 11 HA ASP 11 8.103 3.594 6.308 89 1HB ASP 11 2HB ASP 11 9.532 2.010 4.168 90 2HB ASP 11 1HB ASP 11 9.295 1.543 5.849 91 H ILE 12 H ILE 12 9.973 5.069 3.825 92 HA ILE 12 HA ILE 12 12.149 5.503 5.759 93 HB ILE 12 HB ILE 12 13.528 5.742 3.472 94 1HG1 ILE 12 2HG1 ILE 12 11.480 5.011 2.162 95 2HG1 ILE 12 1HG1 ILE 12 12.952 4.099 1.847 96 1HG2 ILE 12 1HG2 ILE 12 14.222 4.435 5.365 97 2HG2 ILE 12 2HG2 ILE 12 14.375 3.463 3.902 98 3HG2 ILE 12 3HG2 ILE 12 13.020 3.198 4.999 99 1HD1 ILE 12 1HD1 ILE 12 11.455 2.870 3.964 100 2HD1 ILE 12 2HD1 ILE 12 11.959 2.206 2.410 101 3HD1 ILE 12 3HD1 ILE 12 10.443 3.098 2.537 102 H GLY 13 H GLY 13 13.688 7.298 4.616 103 1HA GLY 13 2HA GLY 13 12.137 9.691 4.722 104 2HA GLY 13 1HA GLY 13 13.860 9.582 4.401 105 H GLU 14 H GLU 14 12.537 11.458 3.061 106 HA GLU 14 HA GLU 14 11.708 10.416 0.474 107 1HB GLU 14 2HB GLU 14 10.844 12.536 1.937 108 2HB GLU 14 1HB GLU 14 11.958 13.330 0.833 109 1HG GLU 14 2HG GLU 14 10.647 12.985 -0.963 110 2HG GLU 14 1HG GLU 14 10.081 11.418 -0.386 111 H GLY 15 H GLY 15 14.563 10.313 1.456 112 1HA GLY 15 2HA GLY 15 15.764 11.090 -1.037 113 2HA GLY 15 1HA GLY 15 16.272 12.100 0.308 114 H ILE 16 H ILE 16 15.489 8.744 0.785 115 HA ILE 16 HA ILE 16 18.348 8.086 0.935 116 HB ILE 16 HB ILE 16 18.027 6.880 2.994 117 1HG1 ILE 16 2HG1 ILE 16 15.431 7.741 3.814 118 2HG1 ILE 16 1HG1 ILE 16 15.279 6.961 2.241 119 1HG2 ILE 16 1HG2 ILE 16 17.239 9.731 2.846 120 2HG2 ILE 16 2HG2 ILE 16 18.630 8.977 3.624 121 3HG2 ILE 16 3HG2 ILE 16 17.045 8.909 4.395 122 1HD1 ILE 16 1HD1 ILE 16 16.986 5.378 3.865 123 2HD1 ILE 16 2HD1 ILE 16 15.400 4.982 3.204 124 3HD1 ILE 16 3HD1 ILE 16 15.528 5.761 4.780 125 H ARG 17 H ARG 17 18.170 5.466 1.700 126 HA ARG 17 HA ARG 17 17.680 4.110 -0.656 127 1HB ARG 17 2HB ARG 17 18.009 2.097 0.553 128 2HB ARG 17 1HB ARG 17 19.006 3.308 1.344 129 1HG ARG 17 2HG ARG 17 16.976 3.597 2.924 130 2HG ARG 17 1HG ARG 17 16.483 2.023 2.298 131 1HD ARG 17 2HD ARG 17 19.134 1.634 2.873 132 2HD ARG 17 1HD ARG 17 18.622 2.723 4.161 133 HE ARG 17 HE ARG 17 17.443 0.999 5.080 134 1HH1 ARG 17 1HH1 ARG 17 18.098 0.247 1.743 135 2HH1 ARG 17 2HH1 ARG 17 17.470 -1.363 1.847 136 1HH2 ARG 17 1HH2 ARG 17 16.611 -1.120 5.228 137 2HH2 ARG 17 2HH2 ARG 17 16.623 -2.141 3.828 138 H GLU 18 H GLU 18 16.032 2.751 -1.381 139 HA GLU 18 HA GLU 18 13.381 3.427 -0.327 140 1HB GLU 18 2HB GLU 18 14.268 2.322 -2.993 141 2HB GLU 18 1HB GLU 18 12.584 2.534 -2.535 142 1HG GLU 18 2HG GLU 18 12.656 4.644 -3.188 143 2HG GLU 18 1HG GLU 18 13.950 4.973 -2.037 144 H VAL 19 H VAL 19 11.709 1.524 -0.721 145 HA VAL 19 HA VAL 19 12.992 -1.004 0.094 146 HB VAL 19 HB VAL 19 12.150 0.157 2.107 147 1HG1 VAL 19 1HG1 VAL 19 9.344 -0.416 1.355 148 2HG1 VAL 19 2HG1 VAL 19 10.097 1.012 0.644 149 3HG1 VAL 19 3HG1 VAL 19 10.005 0.843 2.397 150 1HG2 VAL 19 1HG2 VAL 19 12.062 -2.452 1.539 151 2HG2 VAL 19 2HG2 VAL 19 10.347 -2.173 1.836 152 3HG2 VAL 19 3HG2 VAL 19 11.532 -1.793 3.086 153 H THR 20 H THR 20 11.935 -2.909 -0.403 154 HA THR 20 HA THR 20 9.886 -2.653 -2.482 155 HB THR 20 HB THR 20 12.165 -4.484 -2.080 156 HG1 THR 20 1HG THR 20 11.901 -4.506 -4.423 157 1HG2 THR 20 1HG2 THR 20 10.244 -6.075 -1.788 158 2HG2 THR 20 2HG2 THR 20 11.256 -6.392 -3.197 159 3HG2 THR 20 3HG2 THR 20 9.689 -5.607 -3.399 160 H VAL 21 H VAL 21 8.309 -4.438 -2.614 161 HA VAL 21 HA VAL 21 6.976 -4.663 -0.064 162 HB VAL 21 HB VAL 21 6.183 -5.834 -2.734 163 1HG1 VAL 21 1HG1 VAL 21 4.834 -6.996 -1.319 164 2HG1 VAL 21 2HG1 VAL 21 3.874 -5.522 -1.449 165 3HG1 VAL 21 3HG1 VAL 21 4.921 -5.772 -0.052 166 1HG2 VAL 21 1HG2 VAL 21 4.491 -3.742 -2.223 167 2HG2 VAL 21 2HG2 VAL 21 5.883 -3.687 -3.304 168 3HG2 VAL 21 3HG2 VAL 21 6.038 -3.129 -1.638 169 H LYS 22 H LYS 22 6.752 -6.435 1.202 170 HA LYS 22 HA LYS 22 8.323 -8.795 0.428 171 1HB LYS 22 2HB LYS 22 8.555 -7.297 2.671 172 2HB LYS 22 1HB LYS 22 7.415 -8.515 3.226 173 1HG LYS 22 2HG LYS 22 9.470 -9.870 1.842 174 2HG LYS 22 1HG LYS 22 10.238 -8.708 2.926 175 1HD LYS 22 2HD LYS 22 9.726 -9.926 4.720 176 2HD LYS 22 1HD LYS 22 8.039 -10.066 4.222 177 1HE LYS 22 2HE LYS 22 8.854 -12.273 4.303 178 2HE LYS 22 1HE LYS 22 8.818 -11.848 2.592 179 1HZ LYS 22 1HZ LYS 22 11.210 -11.314 2.771 180 2HZ LYS 22 2HZ LYS 22 10.872 -12.942 3.080 181 3HZ LYS 22 3HZ LYS 22 11.202 -11.890 4.362 182 H GLU 23 H GLU 23 5.147 -7.703 1.300 183 HA GLU 23 HA GLU 23 4.129 -10.397 0.782 184 1HB GLU 23 2HB GLU 23 4.219 -9.263 3.354 185 2HB GLU 23 1HB GLU 23 2.542 -9.145 2.837 186 1HG GLU 23 2HG GLU 23 2.304 -11.241 3.509 187 2HG GLU 23 1HG GLU 23 3.279 -11.710 2.117 188 H TRP 24 H TRP 24 2.656 -10.314 -0.758 189 HA TRP 24 HA TRP 24 0.975 -7.903 -1.006 190 1HB TRP 24 2HB TRP 24 2.582 -9.354 -3.016 191 2HB TRP 24 1HB TRP 24 0.953 -8.930 -3.528 192 HD1 TRP 24 HD TRP 24 4.308 -7.600 -3.616 193 HE1 TRP 24 1HE TRP 24 4.320 -5.055 -3.995 194 HE3 TRP 24 3HE TRP 24 -0.597 -6.600 -2.574 195 HZ2 TRP 24 2HZ TRP 24 2.496 -2.907 -3.865 196 HZ3 TRP 24 3HZ TRP 24 -1.381 -4.272 -2.723 197 HH2 TRP 24 HH TRP 24 0.136 -2.465 -3.355 198 H TYR 25 H TYR 25 -1.140 -8.307 -0.744 199 HA TYR 25 HA TYR 25 -2.128 -10.990 -1.442 200 1HB TYR 25 2HB TYR 25 -2.195 -9.629 1.152 201 2HB TYR 25 1HB TYR 25 -3.764 -10.237 0.636 202 HD1 TYR 25 1HD TYR 25 -4.259 -12.553 0.709 203 HD2 TYR 25 2HD TYR 25 -0.266 -11.225 1.343 204 HE1 TYR 25 1HE TYR 25 -3.631 -14.812 1.452 205 HE2 TYR 25 2HE TYR 25 0.372 -13.480 2.087 206 HH TYR 25 HH TYR 25 -0.760 -15.994 1.528 207 H VAL 26 H VAL 26 -2.270 -8.740 -3.114 208 HA VAL 26 HA VAL 26 -5.128 -8.614 -3.503 209 HB VAL 26 HB VAL 26 -5.377 -6.230 -3.451 210 1HG1 VAL 26 1HG1 VAL 26 -5.069 -5.764 -1.113 211 2HG1 VAL 26 2HG1 VAL 26 -3.896 -7.067 -0.968 212 3HG1 VAL 26 3HG1 VAL 26 -5.585 -7.436 -1.316 213 1HG2 VAL 26 1HG2 VAL 26 -3.641 -4.905 -3.903 214 2HG2 VAL 26 2HG2 VAL 26 -2.513 -6.241 -3.679 215 3HG2 VAL 26 3HG2 VAL 26 -3.001 -5.258 -2.298 216 H LYS 27 H LYS 27 -5.646 -7.306 -5.531 217 HA LYS 27 HA LYS 27 -3.431 -7.082 -7.404 218 1HB LYS 27 2HB LYS 27 -5.634 -9.104 -7.642 219 2HB LYS 27 1HB LYS 27 -4.903 -8.424 -9.090 220 1HG LYS 27 2HG LYS 27 -2.827 -9.235 -7.319 221 2HG LYS 27 1HG LYS 27 -3.978 -10.561 -7.500 222 1HD LYS 27 2HD LYS 27 -3.470 -10.877 -9.681 223 2HD LYS 27 1HD LYS 27 -3.237 -9.154 -9.984 224 1HE LYS 27 2HE LYS 27 -1.065 -9.735 -10.122 225 2HE LYS 27 1HE LYS 27 -1.140 -9.647 -8.363 226 1HZ LYS 27 1HZ LYS 27 -1.995 -12.189 -9.109 227 2HZ LYS 27 2HZ LYS 27 -0.571 -11.771 -8.297 228 3HZ LYS 27 3HZ LYS 27 -0.582 -11.875 -9.985 229 H GLU 28 H GLU 28 -4.044 -6.033 -9.420 230 HA GLU 28 HA GLU 28 -5.548 -3.737 -9.066 231 1HB GLU 28 2HB GLU 28 -5.291 -5.000 -11.782 232 2HB GLU 28 1HB GLU 28 -5.240 -3.298 -11.352 233 1HG GLU 28 2HG GLU 28 -3.069 -3.882 -10.115 234 2HG GLU 28 1HG GLU 28 -3.105 -5.371 -11.057 235 H GLY 29 H GLY 29 -7.671 -3.202 -9.275 236 1HA GLY 29 2HA GLY 29 -9.928 -3.450 -9.699 237 2HA GLY 29 1HA GLY 29 -9.533 -4.819 -10.727 238 H ASP 30 H ASP 30 -8.103 -5.317 -7.762 239 HA ASP 30 HA ASP 30 -10.194 -7.210 -7.017 240 1HB ASP 30 2HB ASP 30 -7.580 -7.645 -7.229 241 2HB ASP 30 1HB ASP 30 -7.592 -7.063 -5.566 242 H THR 31 H THR 31 -10.904 -7.426 -4.840 243 HA THR 31 HA THR 31 -10.960 -4.854 -3.438 244 HB THR 31 HB THR 31 -12.722 -7.228 -2.850 245 HG1 THR 31 1HG THR 31 -14.264 -6.073 -4.201 246 1HG2 THR 31 1HG2 THR 31 -13.307 -4.308 -2.441 247 2HG2 THR 31 2HG2 THR 31 -12.441 -5.259 -1.234 248 3HG2 THR 31 3HG2 THR 31 -14.087 -5.703 -1.693 249 H VAL 32 H VAL 32 -10.551 -4.692 -1.253 250 HA VAL 32 HA VAL 32 -8.922 -6.849 -0.113 251 HB VAL 32 HB VAL 32 -8.555 -4.630 1.516 252 1HG1 VAL 32 1HG1 VAL 32 -6.491 -4.681 -0.409 253 2HG1 VAL 32 2HG1 VAL 32 -7.044 -6.336 -0.157 254 3HG1 VAL 32 3HG1 VAL 32 -6.500 -5.369 1.214 255 1HG2 VAL 32 1HG2 VAL 32 -8.603 -3.728 -1.359 256 2HG2 VAL 32 2HG2 VAL 32 -7.853 -2.834 -0.038 257 3HG2 VAL 32 3HG2 VAL 32 -9.594 -3.110 -0.037 258 H SER 33 H SER 33 -9.011 -6.986 2.316 259 HA SER 33 HA SER 33 -11.693 -6.390 3.361 260 1HB SER 33 2HB SER 33 -10.364 -9.032 3.090 261 2HB SER 33 1HB SER 33 -11.225 -8.733 4.600 262 HG SER 33 HG SER 33 -12.402 -9.643 2.656 263 H GLN 34 H GLN 34 -11.682 -6.989 5.841 264 HA GLN 34 HA GLN 34 -9.852 -5.233 7.078 265 1HB GLN 34 2HB GLN 34 -11.740 -7.290 8.227 266 2HB GLN 34 1HB GLN 34 -10.802 -6.178 9.215 267 1HG GLN 34 2HG GLN 34 -12.135 -4.433 8.752 268 2HG GLN 34 1HG GLN 34 -12.373 -4.924 7.076 269 1HE2 GLN 34 1HE2 GLN 34 -13.951 -6.526 6.616 270 2HE2 GLN 34 2HE2 GLN 34 -15.283 -6.783 7.686 271 H PHE 35 H PHE 35 -9.811 -8.662 6.494 272 HA PHE 35 HA PHE 35 -7.429 -8.968 8.179 273 1HB PHE 35 2HB PHE 35 -7.800 -11.446 7.680 274 2HB PHE 35 1HB PHE 35 -9.001 -10.653 8.693 275 HD1 PHE 35 1HD PHE 35 -11.173 -11.226 8.274 276 HD2 PHE 35 2HD PHE 35 -8.403 -11.186 5.043 277 HE1 PHE 35 1HE PHE 35 -12.952 -11.967 6.745 278 HE2 PHE 35 2HE PHE 35 -10.177 -11.925 3.508 279 HZ PHE 35 HZ PHE 35 -12.456 -12.317 4.358 280 H ASP 36 H ASP 36 -8.394 -8.665 4.909 281 HA ASP 36 HA ASP 36 -5.959 -9.930 3.907 282 1HB ASP 36 2HB ASP 36 -8.395 -10.090 2.890 283 2HB ASP 36 1HB ASP 36 -7.930 -8.581 2.113 284 H SER 37 H SER 37 -4.425 -8.428 4.657 285 HA SER 37 HA SER 37 -4.526 -5.660 4.284 286 1HB SER 37 2HB SER 37 -1.843 -6.203 4.156 287 2HB SER 37 1HB SER 37 -2.767 -6.053 5.651 288 HG SER 37 HG SER 37 -2.014 -8.400 4.270 289 H ILE 38 H ILE 38 -3.311 -4.328 2.780 290 HA ILE 38 HA ILE 38 -3.639 -5.246 0.072 291 HB ILE 38 HB ILE 38 -2.457 -2.639 1.042 292 1HG1 ILE 38 2HG1 ILE 38 -5.271 -3.596 0.643 293 2HG1 ILE 38 1HG1 ILE 38 -4.610 -2.592 1.924 294 1HG2 ILE 38 1HG2 ILE 38 -3.113 -1.846 -1.226 295 2HG2 ILE 38 2HG2 ILE 38 -3.530 -3.505 -1.649 296 3HG2 ILE 38 3HG2 ILE 38 -1.863 -3.090 -1.252 297 1HD1 ILE 38 1HD1 ILE 38 -4.330 -1.035 -0.339 298 2HD1 ILE 38 2HD1 ILE 38 -5.586 -0.890 0.892 299 3HD1 ILE 38 3HD1 ILE 38 -5.882 -1.845 -0.560 300 H CYS 39 H CYS 39 -0.849 -3.685 1.644 301 HA CYS 39 HA CYS 39 0.896 -5.706 0.454 302 1HB CYS 39 2HB CYS 39 2.460 -3.548 0.054 303 2HB CYS 39 1HB CYS 39 1.415 -4.225 -1.183 304 HG CYS 39 HG CYS 39 1.191 -1.474 -1.361 305 H GLU 40 H GLU 40 3.016 -5.791 1.403 306 HA GLU 40 HA GLU 40 3.326 -4.367 3.936 307 1HB GLU 40 2HB GLU 40 3.472 -7.372 3.634 308 2HB GLU 40 1HB GLU 40 4.007 -6.490 5.058 309 1HG GLU 40 2HG GLU 40 1.949 -6.922 5.812 310 2HG GLU 40 1HG GLU 40 1.486 -5.551 4.804 311 H VAL 41 H VAL 41 5.307 -3.548 4.080 312 HA VAL 41 HA VAL 41 7.421 -4.746 2.418 313 HB VAL 41 HB VAL 41 8.522 -2.600 2.359 314 1HG1 VAL 41 1HG1 VAL 41 7.263 -2.162 0.591 315 2HG1 VAL 41 2HG1 VAL 41 6.081 -1.377 1.638 316 3HG1 VAL 41 3HG1 VAL 41 5.934 -3.097 1.276 317 1HG2 VAL 41 1HG2 VAL 41 6.497 -0.907 3.486 318 2HG2 VAL 41 2HG2 VAL 41 8.212 -1.013 3.882 319 3HG2 VAL 41 3HG2 VAL 41 7.053 -2.069 4.690 320 H GLN 42 H GLN 42 9.425 -5.171 3.300 321 HA GLN 42 HA GLN 42 9.646 -4.803 6.215 322 1HB GLN 42 2HB GLN 42 10.448 -7.264 4.653 323 2HB GLN 42 1HB GLN 42 10.725 -7.013 6.371 324 1HG GLN 42 2HG GLN 42 8.060 -6.602 6.244 325 2HG GLN 42 1HG GLN 42 8.274 -7.767 4.938 326 1HE2 GLN 42 1HE2 GLN 42 6.968 -8.017 7.561 327 2HE2 GLN 42 2HE2 GLN 42 7.732 -9.359 8.337 328 H SER 43 H SER 43 11.361 -3.681 6.775 329 HA SER 43 HA SER 43 13.731 -3.728 5.024 330 1HB SER 43 2HB SER 43 12.278 -1.535 5.346 331 2HB SER 43 1HB SER 43 13.211 -1.409 6.837 332 HG SER 43 HG SER 43 14.611 -0.503 5.540 333 H ASP 44 H ASP 44 15.795 -3.538 6.076 334 HA ASP 44 HA ASP 44 16.237 -5.235 8.176 335 1HB ASP 44 2HB ASP 44 18.423 -4.003 8.483 336 2HB ASP 44 1HB ASP 44 18.085 -4.544 6.841 337 H LYS 45 H LYS 45 15.191 -1.929 8.309 338 HA LYS 45 HA LYS 45 15.836 -1.468 11.051 339 1HB LYS 45 2HB LYS 45 14.106 -0.093 9.023 340 2HB LYS 45 1HB LYS 45 14.017 0.376 10.715 341 1HG LYS 45 2HG LYS 45 16.426 0.853 10.693 342 2HG LYS 45 1HG LYS 45 16.476 0.432 8.980 343 1HD LYS 45 2HD LYS 45 14.751 2.613 10.145 344 2HD LYS 45 1HD LYS 45 16.337 2.881 9.419 345 1HE LYS 45 2HE LYS 45 14.071 1.539 7.960 346 2HE LYS 45 1HE LYS 45 14.337 3.282 7.920 347 1HZ LYS 45 1HZ LYS 45 15.331 1.976 6.041 348 2HZ LYS 45 2HZ LYS 45 16.428 1.327 7.153 349 3HZ LYS 45 3HZ LYS 45 16.405 2.993 6.862 350 H ALA 46 H ALA 46 12.606 -1.598 9.571 351 HA ALA 46 HA ALA 46 11.700 -3.398 11.687 352 1HB ALA 46 1HB ALA 46 10.243 -1.988 12.670 353 2HB ALA 46 2HB ALA 46 9.852 -1.169 11.158 354 3HB ALA 46 3HB ALA 46 11.321 -0.746 12.035 355 H SER 47 H SER 47 9.493 -4.240 11.247 356 HA SER 47 HA SER 47 9.157 -4.637 8.363 357 1HB SER 47 2HB SER 47 7.679 -6.189 10.470 358 2HB SER 47 1HB SER 47 8.141 -6.689 8.843 359 HG SER 47 HG SER 47 9.406 -7.288 10.987 360 H VAL 48 H VAL 48 7.691 -3.424 7.374 361 HA VAL 48 HA VAL 48 5.452 -2.347 8.932 362 HB VAL 48 HB VAL 48 5.872 -1.467 6.125 363 1HG1 VAL 48 1HG1 VAL 48 4.115 -0.363 7.110 364 2HG1 VAL 48 2HG1 VAL 48 5.439 0.763 7.409 365 3HG1 VAL 48 3HG1 VAL 48 4.889 -0.313 8.694 366 1HG2 VAL 48 1HG2 VAL 48 7.924 -1.218 8.208 367 2HG2 VAL 48 2HG2 VAL 48 7.469 0.307 7.448 368 3HG2 VAL 48 3HG2 VAL 48 8.053 -1.031 6.459 369 H THR 49 H THR 49 3.374 -2.748 8.472 370 HA THR 49 HA THR 49 2.734 -4.364 6.107 371 HB THR 49 HB THR 49 1.240 -5.791 7.390 372 HG1 THR 49 1HG THR 49 2.210 -4.415 9.695 373 1HG2 THR 49 1HG2 THR 49 3.874 -5.769 8.852 374 2HG2 THR 49 2HG2 THR 49 3.724 -6.317 7.182 375 3HG2 THR 49 3HG2 THR 49 2.849 -7.151 8.466 376 H ILE 50 H ILE 50 1.011 -3.594 5.013 377 HA ILE 50 HA ILE 50 -0.465 -1.377 6.228 378 HB ILE 50 HB ILE 50 -0.363 -2.251 3.338 379 1HG1 ILE 50 2HG1 ILE 50 0.778 0.265 3.575 380 2HG1 ILE 50 1HG1 ILE 50 1.391 -0.597 4.984 381 1HG2 ILE 50 1HG2 ILE 50 -2.112 -0.460 4.744 382 2HG2 ILE 50 2HG2 ILE 50 -2.138 -0.948 3.050 383 3HG2 ILE 50 3HG2 ILE 50 -1.157 0.427 3.557 384 1HD1 ILE 50 1HD1 ILE 50 2.461 -2.200 3.674 385 2HD1 ILE 50 2HD1 ILE 50 2.768 -0.674 2.847 386 3HD1 ILE 50 3HD1 ILE 50 1.533 -1.775 2.235 387 H THR 51 H THR 51 -2.265 -1.919 7.234 388 HA THR 51 HA THR 51 -3.879 -4.167 6.312 389 HB THR 51 HB THR 51 -5.303 -3.307 8.384 390 HG1 THR 51 1HG THR 51 -3.658 -2.529 9.964 391 1HG2 THR 51 1HG2 THR 51 -3.930 -5.464 8.034 392 2HG2 THR 51 2HG2 THR 51 -4.287 -4.958 9.685 393 3HG2 THR 51 3HG2 THR 51 -2.692 -4.655 8.996 394 H SER 52 H SER 52 -6.403 -3.596 6.707 395 HA SER 52 HA SER 52 -6.904 -1.147 5.146 396 1HB SER 52 2HB SER 52 -7.232 -3.415 3.972 397 2HB SER 52 1HB SER 52 -8.655 -3.591 4.999 398 HG SER 52 HG SER 52 -8.251 -1.983 2.810 399 H ARG 53 H ARG 53 -8.037 -3.258 7.722 400 HA ARG 53 HA ARG 53 -9.499 -2.928 9.443 401 1HB ARG 53 2HB ARG 53 -9.838 -0.027 8.929 402 2HB ARG 53 1HB ARG 53 -9.549 -0.873 10.440 403 1HG ARG 53 2HG ARG 53 -7.503 -0.172 8.343 404 2HG ARG 53 1HG ARG 53 -7.685 0.546 9.940 405 1HD ARG 53 2HD ARG 53 -7.476 -2.243 10.312 406 2HD ARG 53 1HD ARG 53 -6.209 -1.776 9.178 407 HE ARG 53 HE ARG 53 -5.947 0.074 11.100 408 1HH1 ARG 53 1HH1 ARG 53 -6.220 -3.397 11.243 409 2HH1 ARG 53 2HH1 ARG 53 -5.272 -3.539 12.685 410 1HH2 ARG 53 1HH2 ARG 53 -4.699 -0.105 12.996 411 2HH2 ARG 53 2HH2 ARG 53 -4.406 -1.669 13.681 412 H TYR 54 H TYR 54 -10.324 -2.865 6.394 413 HA TYR 54 HA TYR 54 -13.078 -3.111 6.754 414 1HB TYR 54 2HB TYR 54 -12.113 -0.394 6.275 415 2HB TYR 54 1HB TYR 54 -13.249 -0.926 5.042 416 HD1 TYR 54 1HD TYR 54 -12.967 0.626 8.160 417 HD2 TYR 54 2HD TYR 54 -15.425 -2.114 6.025 418 HE1 TYR 54 1HE TYR 54 -14.839 1.137 9.670 419 HE2 TYR 54 2HE TYR 54 -17.303 -1.611 7.531 420 HH TYR 54 HH TYR 54 -17.184 -0.483 10.311 421 H ASP 55 H ASP 55 -14.164 -3.067 4.430 422 HA ASP 55 HA ASP 55 -12.259 -4.454 2.700 423 1HB ASP 55 2HB ASP 55 -15.259 -4.280 2.364 424 2HB ASP 55 1HB ASP 55 -14.155 -5.382 1.545 425 H GLY 56 H GLY 56 -11.335 -3.384 1.109 426 1HA GLY 56 2HA GLY 56 -12.786 -1.091 -0.053 427 2HA GLY 56 1HA GLY 56 -11.057 -1.065 0.248 428 H VAL 57 H VAL 57 -12.030 -0.442 -2.234 429 HA VAL 57 HA VAL 57 -11.564 -2.871 -3.830 430 HB VAL 57 HB VAL 57 -12.671 -0.241 -4.806 431 1HG1 VAL 57 1HG1 VAL 57 -12.387 -2.974 -6.021 432 2HG1 VAL 57 2HG1 VAL 57 -11.794 -1.430 -6.634 433 3HG1 VAL 57 3HG1 VAL 57 -13.523 -1.779 -6.648 434 1HG2 VAL 57 1HG2 VAL 57 -14.817 -1.766 -4.875 435 2HG2 VAL 57 2HG2 VAL 57 -14.373 -0.884 -3.413 436 3HG2 VAL 57 3HG2 VAL 57 -13.992 -2.600 -3.558 437 H ILE 58 H ILE 58 -9.656 -3.147 -4.742 438 HA ILE 58 HA ILE 58 -7.881 -0.837 -5.126 439 HB ILE 58 HB ILE 58 -7.159 -3.763 -5.349 440 1HG1 ILE 58 2HG1 ILE 58 -6.632 -1.965 -2.988 441 2HG1 ILE 58 1HG1 ILE 58 -8.049 -3.008 -3.076 442 1HG2 ILE 58 1HG2 ILE 58 -5.355 -2.806 -6.293 443 2HG2 ILE 58 2HG2 ILE 58 -4.906 -2.462 -4.622 444 3HG2 ILE 58 3HG2 ILE 58 -5.699 -1.222 -5.595 445 1HD1 ILE 58 1HD1 ILE 58 -5.749 -3.728 -1.924 446 2HD1 ILE 58 2HD1 ILE 58 -5.447 -4.295 -3.566 447 3HD1 ILE 58 3HD1 ILE 58 -6.855 -4.877 -2.678 448 H LYS 59 H LYS 59 -7.561 -0.045 -7.107 449 HA LYS 59 HA LYS 59 -8.701 -1.526 -9.356 450 1HB LYS 59 2HB LYS 59 -9.164 0.971 -8.686 451 2HB LYS 59 1HB LYS 59 -7.701 1.270 -9.614 452 1HG LYS 59 2HG LYS 59 -8.815 -0.038 -11.490 453 2HG LYS 59 1HG LYS 59 -10.305 0.118 -10.556 454 1HD LYS 59 2HD LYS 59 -10.280 2.472 -10.723 455 2HD LYS 59 1HD LYS 59 -8.607 2.491 -11.285 456 1HE LYS 59 2HE LYS 59 -10.040 0.882 -13.093 457 2HE LYS 59 1HE LYS 59 -11.032 2.310 -12.805 458 1HZ LYS 59 1HZ LYS 59 -9.459 2.579 -14.658 459 2HZ LYS 59 2HZ LYS 59 -8.168 2.383 -13.584 460 3HZ LYS 59 3HZ LYS 59 -9.204 3.711 -13.426 461 H LYS 60 H LYS 60 -5.616 0.114 -8.540 462 HA LYS 60 HA LYS 60 -4.393 -1.556 -10.620 463 1HB LYS 60 2HB LYS 60 -3.137 0.273 -11.542 464 2HB LYS 60 1HB LYS 60 -4.847 0.684 -11.573 465 1HG LYS 60 2HG LYS 60 -2.968 1.601 -9.413 466 2HG LYS 60 1HG LYS 60 -3.305 2.528 -10.877 467 1HD LYS 60 2HD LYS 60 -5.795 1.751 -9.814 468 2HD LYS 60 1HD LYS 60 -4.830 2.348 -8.460 469 1HE LYS 60 2HE LYS 60 -5.882 4.262 -9.283 470 2HE LYS 60 1HE LYS 60 -4.273 4.326 -10.004 471 1HZ LYS 60 1HZ LYS 60 -6.842 4.028 -11.270 472 2HZ LYS 60 2HZ LYS 60 -5.686 2.928 -11.829 473 3HZ LYS 60 3HZ LYS 60 -5.379 4.589 -11.911 474 H LEU 61 H LEU 61 -2.291 -2.122 -10.351 475 HA LEU 61 HA LEU 61 -0.870 -1.224 -7.956 476 1HB LEU 61 2HB LEU 61 -1.484 -4.078 -8.710 477 2HB LEU 61 1HB LEU 61 -0.181 -3.654 -7.616 478 HG LEU 61 HG LEU 61 -2.652 -2.415 -6.770 479 1HD1 LEU 61 1HD1 LEU 61 -4.123 -4.015 -7.234 480 2HD1 LEU 61 2HD1 LEU 61 -3.257 -5.025 -6.076 481 3HD1 LEU 61 3HD1 LEU 61 -2.862 -5.113 -7.793 482 1HD2 LEU 61 1HD2 LEU 61 -1.038 -4.563 -5.424 483 2HD2 LEU 61 2HD2 LEU 61 -2.050 -3.329 -4.674 484 3HD2 LEU 61 3HD2 LEU 61 -0.542 -2.871 -5.468 485 H TYR 62 H TYR 62 1.297 -0.925 -8.330 486 HA TYR 62 HA TYR 62 2.281 -1.793 -10.969 487 1HB TYR 62 2HB TYR 62 2.011 0.695 -10.538 488 2HB TYR 62 1HB TYR 62 3.342 0.549 -9.396 489 HD1 TYR 62 1HD TYR 62 5.590 0.471 -10.145 490 HD2 TYR 62 2HD TYR 62 2.411 0.171 -12.957 491 HE1 TYR 62 1HE TYR 62 7.199 0.741 -11.984 492 HE2 TYR 62 2HE TYR 62 4.013 0.441 -14.804 493 HH TYR 62 HH TYR 62 7.426 0.318 -14.305 494 H TYR 63 H TYR 63 3.305 -1.243 -7.607 495 HA TYR 63 HA TYR 63 5.784 -2.676 -8.125 496 1HB TYR 63 2HB TYR 63 4.763 -1.221 -5.684 497 2HB TYR 63 1HB TYR 63 6.317 -2.049 -5.753 498 HD1 TYR 63 1HD TYR 63 5.312 1.050 -5.524 499 HD2 TYR 63 2HD TYR 63 7.233 -1.351 -8.465 500 HE1 TYR 63 1HE TYR 63 6.336 3.066 -6.494 501 HE2 TYR 63 2HE TYR 63 8.264 0.656 -9.440 502 HH TYR 63 HH TYR 63 8.681 2.860 -9.123 503 H ASN 64 H ASN 64 6.258 -4.676 -7.478 504 HA ASN 64 HA ASN 64 4.209 -6.175 -5.991 505 1HB ASN 64 2HB ASN 64 6.226 -7.093 -8.045 506 2HB ASN 64 1HB ASN 64 5.227 -8.195 -7.102 507 1HD2 ASN 64 1HD2 ASN 64 2.903 -8.019 -7.343 508 2HD2 ASN 64 2HD2 ASN 64 2.245 -7.499 -8.853 509 H LEU 65 H LEU 65 5.506 -8.377 -5.289 510 HA LEU 65 HA LEU 65 6.842 -7.780 -2.962 511 1HB LEU 65 2HB LEU 65 6.915 -10.247 -4.687 512 2HB LEU 65 1HB LEU 65 7.592 -10.172 -3.081 513 HG LEU 65 HG LEU 65 4.947 -9.266 -2.821 514 1HD1 LEU 65 1HD1 LEU 65 4.806 -10.431 -5.145 515 2HD1 LEU 65 2HD1 LEU 65 3.571 -10.749 -3.927 516 3HD1 LEU 65 3HD1 LEU 65 4.866 -11.916 -4.195 517 1HD2 LEU 65 1HD2 LEU 65 6.620 -11.518 -1.943 518 2HD2 LEU 65 2HD2 LEU 65 4.881 -11.811 -1.898 519 3HD2 LEU 65 3HD2 LEU 65 5.569 -10.451 -1.011 520 H ASP 66 H ASP 66 8.084 -7.877 -6.191 521 HA ASP 66 HA ASP 66 10.843 -7.988 -5.205 522 1HB ASP 66 2HB ASP 66 9.514 -8.680 -7.751 523 2HB ASP 66 1HB ASP 66 11.124 -7.980 -7.890 524 H ASP 67 H ASP 67 8.570 -5.823 -6.730 525 HA ASP 67 HA ASP 67 10.567 -3.955 -7.587 526 1HB ASP 67 2HB ASP 67 7.633 -3.373 -7.227 527 2HB ASP 67 1HB ASP 67 8.775 -2.557 -8.288 528 H ILE 68 H ILE 68 11.127 -2.009 -6.735 529 HA ILE 68 HA ILE 68 10.670 -1.699 -3.858 530 HB ILE 68 HB ILE 68 12.652 -0.232 -5.582 531 1HG1 ILE 68 2HG1 ILE 68 12.861 -2.857 -5.271 532 2HG1 ILE 68 1HG1 ILE 68 14.272 -1.814 -5.226 533 1HG2 ILE 68 1HG2 ILE 68 12.987 1.046 -3.823 534 2HG2 ILE 68 2HG2 ILE 68 13.431 -0.351 -2.853 535 3HG2 ILE 68 3HG2 ILE 68 11.748 0.169 -2.928 536 1HD1 ILE 68 1HD1 ILE 68 13.099 -2.181 -2.595 537 2HD1 ILE 68 2HD1 ILE 68 14.759 -2.425 -3.142 538 3HD1 ILE 68 3HD1 ILE 68 13.563 -3.708 -3.350 539 H ALA 69 H ALA 69 9.652 0.005 -3.001 540 HA ALA 69 HA ALA 69 8.486 1.929 -4.879 541 1HB ALA 69 1HB ALA 69 6.824 2.372 -3.221 542 2HB ALA 69 2HB ALA 69 7.718 1.464 -2.002 543 3HB ALA 69 3HB ALA 69 6.986 0.622 -3.367 544 H TYR 70 H TYR 70 8.644 4.144 -4.541 545 HA TYR 70 HA TYR 70 10.805 4.963 -2.714 546 1HB TYR 70 2HB TYR 70 10.066 6.724 -4.989 547 2HB TYR 70 1HB TYR 70 11.647 6.391 -4.293 548 HD1 TYR 70 1HD TYR 70 11.867 3.487 -4.539 549 HD2 TYR 70 2HD TYR 70 10.251 6.322 -7.268 550 HE1 TYR 70 1HE TYR 70 12.368 1.967 -6.404 551 HE2 TYR 70 2HE TYR 70 10.748 4.809 -9.142 552 HH TYR 70 HH TYR 70 11.391 1.622 -8.815 553 H VAL 71 H VAL 71 10.583 6.876 -1.533 554 HA VAL 71 HA VAL 71 7.872 7.535 -0.833 555 HB VAL 71 HB VAL 71 10.371 8.907 0.150 556 1HG1 VAL 71 1HG1 VAL 71 8.133 9.947 0.602 557 2HG1 VAL 71 2HG1 VAL 71 9.070 9.538 2.039 558 3HG1 VAL 71 3HG1 VAL 71 7.729 8.508 1.538 559 1HG2 VAL 71 1HG2 VAL 71 9.076 6.654 1.624 560 2HG2 VAL 71 2HG2 VAL 71 10.721 7.278 1.746 561 3HG2 VAL 71 3HG2 VAL 71 10.245 6.311 0.349 562 H GLY 72 H GLY 72 6.708 9.283 -1.394 563 1HA GLY 72 2HA GLY 72 6.774 11.708 -1.912 564 2HA GLY 72 1HA GLY 72 8.066 11.329 -3.040 565 H LYS 73 H LYS 73 6.366 8.777 -3.634 566 HA LYS 73 HA LYS 73 4.320 10.073 -5.290 567 1HB LYS 73 2HB LYS 73 6.686 8.614 -6.194 568 2HB LYS 73 1HB LYS 73 5.190 7.986 -6.871 569 1HG LYS 73 2HG LYS 73 6.161 10.832 -7.035 570 2HG LYS 73 1HG LYS 73 6.163 9.644 -8.340 571 1HD LYS 73 2HD LYS 73 3.628 9.491 -7.914 572 2HD LYS 73 1HD LYS 73 3.831 11.008 -7.036 573 1HE LYS 73 2HE LYS 73 3.691 12.086 -8.972 574 2HE LYS 73 1HE LYS 73 5.207 11.328 -9.457 575 1HZ LYS 73 1HZ LYS 73 3.843 10.645 -11.130 576 2HZ LYS 73 2HZ LYS 73 2.458 10.603 -10.159 577 3HZ LYS 73 3HZ LYS 73 3.604 9.364 -10.051 578 HA PRO 74 HA PRO 74 1.616 7.029 -3.465 579 1HB PRO 74 2HB PRO 74 0.296 7.271 -6.137 580 2HB PRO 74 1HB PRO 74 -0.418 7.339 -4.520 581 1HG PRO 74 2HG PRO 74 -0.054 9.574 -5.885 582 2HG PRO 74 1HG PRO 74 0.316 9.520 -4.148 583 1HD PRO 74 2HD PRO 74 2.182 9.466 -6.487 584 2HD PRO 74 1HD PRO 74 2.365 10.273 -4.915 585 H LEU 75 H LEU 75 0.808 4.830 -3.933 586 HA LEU 75 HA LEU 75 2.463 3.475 -5.962 587 1HB LEU 75 2HB LEU 75 3.261 3.089 -3.665 588 2HB LEU 75 1HB LEU 75 1.687 2.448 -3.234 589 HG LEU 75 HG LEU 75 3.247 1.180 -5.453 590 1HD1 LEU 75 1HD1 LEU 75 3.545 0.177 -2.665 591 2HD1 LEU 75 2HD1 LEU 75 4.567 1.512 -3.203 592 3HD1 LEU 75 3HD1 LEU 75 4.604 -0.031 -4.060 593 1HD2 LEU 75 1HD2 LEU 75 1.553 -0.250 -5.399 594 2HD2 LEU 75 2HD2 LEU 75 0.791 0.707 -4.129 595 3HD2 LEU 75 3HD2 LEU 75 1.888 -0.607 -3.705 596 H VAL 76 H VAL 76 -0.501 3.114 -3.990 597 HA VAL 76 HA VAL 76 -1.819 1.974 -6.348 598 HB VAL 76 HB VAL 76 -1.073 0.015 -5.143 599 1HG1 VAL 76 1HG1 VAL 76 -2.669 0.304 -2.751 600 2HG1 VAL 76 2HG1 VAL 76 -1.448 1.570 -2.876 601 3HG1 VAL 76 3HG1 VAL 76 -0.968 -0.126 -2.927 602 1HG2 VAL 76 1HG2 VAL 76 -3.608 0.431 -5.989 603 2HG2 VAL 76 2HG2 VAL 76 -3.898 -0.027 -4.312 604 3HG2 VAL 76 3HG2 VAL 76 -3.013 -1.113 -5.380 605 H ASP 77 H ASP 77 -4.066 2.247 -6.419 606 HA ASP 77 HA ASP 77 -5.122 4.094 -4.393 607 1HB ASP 77 2HB ASP 77 -6.455 3.677 -7.038 608 2HB ASP 77 1HB ASP 77 -6.455 5.102 -6.007 609 H ILE 78 H ILE 78 -6.587 3.358 -3.044 610 HA ILE 78 HA ILE 78 -8.331 1.131 -3.852 611 HB ILE 78 HB ILE 78 -7.343 1.270 -1.038 612 1HG1 ILE 78 2HG1 ILE 78 -5.657 -0.578 -2.004 613 2HG1 ILE 78 1HG1 ILE 78 -5.759 0.465 -3.420 614 1HG2 ILE 78 1HG2 ILE 78 -9.078 -0.262 -1.319 615 2HG2 ILE 78 2HG2 ILE 78 -7.619 -1.250 -1.341 616 3HG2 ILE 78 3HG2 ILE 78 -8.434 -0.850 -2.851 617 1HD1 ILE 78 1HD1 ILE 78 -4.326 1.863 -2.511 618 2HD1 ILE 78 2HD1 ILE 78 -4.193 0.806 -1.105 619 3HD1 ILE 78 3HD1 ILE 78 -5.396 2.099 -1.127 620 H GLU 79 H GLU 79 -10.389 1.099 -2.838 621 HA GLU 79 HA GLU 79 -11.125 3.701 -1.704 622 1HB GLU 79 2HB GLU 79 -12.347 2.064 -3.612 623 2HB GLU 79 1HB GLU 79 -13.342 1.892 -2.172 624 1HG GLU 79 2HG GLU 79 -13.645 4.284 -2.051 625 2HG GLU 79 1HG GLU 79 -12.563 4.514 -3.425 626 H THR 80 H THR 80 -11.186 3.841 0.414 627 HA THR 80 HA THR 80 -12.274 1.608 1.983 628 HB THR 80 HB THR 80 -10.418 2.688 3.702 629 HG1 THR 80 1HG THR 80 -9.001 2.298 1.286 630 1HG2 THR 80 1HG2 THR 80 -10.994 0.211 2.647 631 2HG2 THR 80 2HG2 THR 80 -9.754 0.548 3.857 632 3HG2 THR 80 3HG2 THR 80 -9.323 0.472 2.147 633 H GLU 81 H GLU 81 -13.129 2.266 4.067 634 HA GLU 81 HA GLU 81 -14.671 4.586 3.965 635 1HB GLU 81 2HB GLU 81 -14.965 2.510 5.449 636 2HB GLU 81 1HB GLU 81 -13.829 3.281 6.547 637 1HG GLU 81 2HG GLU 81 -15.428 4.546 7.403 638 2HG GLU 81 1HG GLU 81 -15.879 5.139 5.805 639 H ALA 82 H ALA 82 -14.533 6.565 5.099 640 HA ALA 82 HA ALA 82 -12.278 8.031 4.902 641 1HB ALA 82 1HB ALA 82 -14.682 8.251 6.600 642 2HB ALA 82 2HB ALA 82 -14.006 9.384 5.430 643 3HB ALA 82 3HB ALA 82 -13.307 9.262 7.044 644 H LEU 83 H LEU 83 -10.291 7.607 5.603 645 HA LEU 83 HA LEU 83 -9.948 6.833 8.424 646 1HB LEU 83 2HB LEU 83 -9.213 5.362 6.151 647 2HB LEU 83 1HB LEU 83 -7.720 6.039 6.772 648 HG LEU 83 HG LEU 83 -8.947 5.056 9.044 649 1HD1 LEU 83 1HD1 LEU 83 -10.069 3.715 6.774 650 2HD1 LEU 83 2HD1 LEU 83 -10.405 3.477 8.489 651 3HD1 LEU 83 3HD1 LEU 83 -9.093 2.588 7.715 652 1HD2 LEU 83 1HD2 LEU 83 -7.265 3.035 8.230 653 2HD2 LEU 83 2HD2 LEU 83 -6.793 4.488 9.112 654 3HD2 LEU 83 3HD2 LEU 83 -6.660 4.442 7.355 655 H LYS 84 H LYS 84 -8.860 8.267 9.581 656 HA LYS 84 HA LYS 84 -7.841 10.656 8.624 657 1HB LYS 84 2HB LYS 84 -6.642 10.803 10.818 658 2HB LYS 84 1HB LYS 84 -8.355 10.425 10.951 659 1HG LYS 84 2HG LYS 84 -7.955 8.239 11.597 660 2HG LYS 84 1HG LYS 84 -6.324 8.233 10.923 661 1HD LYS 84 2HD LYS 84 -5.792 10.011 12.690 662 2HD LYS 84 1HD LYS 84 -7.306 9.522 13.452 663 1HE LYS 84 2HE LYS 84 -5.649 7.251 12.734 664 2HE LYS 84 1HE LYS 84 -4.820 8.361 13.824 665 1HZ LYS 84 1HZ LYS 84 -6.892 6.518 14.395 666 2HZ LYS 84 2HZ LYS 84 -7.384 8.081 14.814 667 3HZ LYS 84 3HZ LYS 84 -5.962 7.440 15.467 668 H ASP 85 H ASP 85 -6.390 7.529 8.622 669 HA ASP 85 HA ASP 85 -3.722 7.850 8.755 670 1HB ASP 85 2HB ASP 85 -5.326 5.870 7.843 671 2HB ASP 85 1HB ASP 85 -4.565 6.374 6.337 672 H LEU 86 H LEU 86 -5.623 8.566 5.820 673 HA LEU 86 HA LEU 86 -3.324 10.140 4.854 674 1HB LEU 86 2HB LEU 86 -4.219 8.036 3.562 675 2HB LEU 86 1HB LEU 86 -5.459 9.148 3.015 676 HG LEU 86 HG LEU 86 -3.361 10.642 2.390 677 1HD1 LEU 86 1HD1 LEU 86 -1.465 9.372 1.676 678 2HD1 LEU 86 2HD1 LEU 86 -2.254 7.855 2.110 679 3HD1 LEU 86 3HD1 LEU 86 -1.773 8.990 3.371 680 1HD2 LEU 86 1HD2 LEU 86 -4.616 8.377 0.887 681 2HD2 LEU 86 2HD2 LEU 86 -3.358 9.366 0.146 682 3HD2 LEU 86 3HD2 LEU 86 -4.857 10.113 0.695 683 H GLU 87 H GLU 87 -6.743 10.101 5.493 684 HA GLU 87 HA GLU 87 -6.811 12.991 5.232 685 1HB GLU 87 2HB GLU 87 -8.448 11.121 3.546 686 2HB GLU 87 1HB GLU 87 -9.061 12.715 3.965 687 1HG GLU 87 2HG GLU 87 -6.642 13.409 3.066 688 2HG GLU 87 1HG GLU 87 -6.888 11.938 2.127 Start of MODEL 2 1 1H MET 1 1HT MET 1 17.711 8.899 1.255 2 2H MET 1 2HT MET 1 18.836 8.272 2.352 3 3H MET 1 3HT MET 1 19.314 9.442 1.228 4 HA MET 1 HA MET 1 19.054 10.837 2.944 5 1HB MET 1 2HB MET 1 17.183 11.125 1.169 6 2HB MET 1 1HB MET 1 16.111 10.506 2.418 7 1HG MET 1 2HG MET 1 15.887 12.675 2.930 8 2HG MET 1 1HG MET 1 17.392 12.414 3.809 9 1HE MET 1 1HE MET 1 17.271 15.590 3.152 10 2HE MET 1 2HE MET 1 18.984 15.474 2.752 11 3HE MET 1 3HE MET 1 18.299 14.438 4.004 12 H GLY 2 H GLY 2 16.980 8.022 3.277 13 1HA GLY 2 2HA GLY 2 17.025 6.760 5.327 14 2HA GLY 2 1HA GLY 2 17.257 8.267 6.198 15 H GLN 3 H GLN 3 14.933 8.483 3.716 16 HA GLN 3 HA GLN 3 12.798 8.346 5.731 17 1HB GLN 3 2HB GLN 3 13.315 10.111 3.421 18 2HB GLN 3 1HB GLN 3 11.640 9.621 3.643 19 1HG GLN 3 2HG GLN 3 11.721 11.562 4.856 20 2HG GLN 3 1HG GLN 3 12.025 10.352 6.102 21 1HE2 GLN 3 1HE2 GLN 3 13.212 11.547 7.485 22 2HE2 GLN 3 2HE2 GLN 3 14.745 12.245 7.102 23 H VAL 4 H VAL 4 10.775 7.442 5.164 24 HA VAL 4 HA VAL 4 10.980 5.365 3.091 25 HB VAL 4 HB VAL 4 9.223 4.157 4.337 26 1HG1 VAL 4 1HG1 VAL 4 11.184 3.260 5.009 27 2HG1 VAL 4 2HG1 VAL 4 10.715 3.982 6.549 28 3HG1 VAL 4 3HG1 VAL 4 11.857 4.817 5.495 29 1HG2 VAL 4 1HG2 VAL 4 8.154 6.129 5.345 30 2HG2 VAL 4 2HG2 VAL 4 9.545 6.317 6.413 31 3HG2 VAL 4 3HG2 VAL 4 8.527 4.880 6.534 32 H VAL 5 H VAL 5 9.301 5.018 1.668 33 HA VAL 5 HA VAL 5 7.466 7.276 1.317 34 HB VAL 5 HB VAL 5 7.078 6.400 -0.933 35 1HG1 VAL 5 1HG1 VAL 5 9.015 7.201 -1.832 36 2HG1 VAL 5 2HG1 VAL 5 10.038 6.285 -0.726 37 3HG1 VAL 5 3HG1 VAL 5 9.224 7.747 -0.168 38 1HG2 VAL 5 1HG2 VAL 5 8.387 4.479 -1.767 39 2HG2 VAL 5 2HG2 VAL 5 7.256 4.022 -0.492 40 3HG2 VAL 5 3HG2 VAL 5 8.974 4.193 -0.129 41 H GLN 6 H GLN 6 5.380 7.054 1.850 42 HA GLN 6 HA GLN 6 4.449 4.417 2.627 43 1HB GLN 6 2HB GLN 6 3.344 7.171 3.160 44 2HB GLN 6 1HB GLN 6 2.682 5.679 3.791 45 1HG GLN 6 2HG GLN 6 4.066 5.747 5.503 46 2HG GLN 6 1HG GLN 6 5.450 5.763 4.412 47 1HE2 GLN 6 1HE2 GLN 6 5.981 7.920 3.475 48 2HE2 GLN 6 2HE2 GLN 6 5.837 9.296 4.508 49 H PHE 7 H PHE 7 2.547 3.508 1.926 50 HA PHE 7 HA PHE 7 1.530 4.552 -0.609 51 1HB PHE 7 2HB PHE 7 2.218 2.305 -0.873 52 2HB PHE 7 1HB PHE 7 1.512 1.820 0.662 53 HD1 PHE 7 1HD PHE 7 -0.455 0.649 0.618 54 HD2 PHE 7 2HD PHE 7 0.459 3.266 -2.607 55 HE1 PHE 7 1HE PHE 7 -2.507 -0.058 -0.530 56 HE2 PHE 7 2HE PHE 7 -1.591 2.564 -3.764 57 HZ PHE 7 HZ PHE 7 -3.082 0.899 -2.728 58 H LYS 8 H LYS 8 -0.596 5.006 -0.920 59 HA LYS 8 HA LYS 8 -2.378 4.849 1.413 60 1HB LYS 8 2HB LYS 8 -3.283 7.040 0.875 61 2HB LYS 8 1HB LYS 8 -1.548 7.149 1.142 62 1HG LYS 8 2HG LYS 8 -2.350 6.726 -1.649 63 2HG LYS 8 1HG LYS 8 -2.851 8.264 -0.941 64 1HD LYS 8 2HD LYS 8 -0.033 7.225 -0.753 65 2HD LYS 8 1HD LYS 8 -0.589 8.233 -2.090 66 1HE LYS 8 2HE LYS 8 -1.397 9.430 0.372 67 2HE LYS 8 1HE LYS 8 0.322 9.047 0.460 68 1HZ LYS 8 1HZ LYS 8 -1.018 11.057 -1.079 69 2HZ LYS 8 2HZ LYS 8 0.029 10.119 -2.019 70 3HZ LYS 8 3HZ LYS 8 0.616 10.933 -0.657 71 H LEU 9 H LEU 9 -4.577 4.614 0.998 72 HA LEU 9 HA LEU 9 -5.472 2.848 -0.817 73 1HB LEU 9 2HB LEU 9 -6.742 3.906 1.079 74 2HB LEU 9 1HB LEU 9 -7.105 5.241 -0.001 75 HG LEU 9 HG LEU 9 -8.898 3.439 0.322 76 1HD1 LEU 9 1HD1 LEU 9 -9.458 4.893 -1.291 77 2HD1 LEU 9 2HD1 LEU 9 -9.326 3.418 -2.243 78 3HD1 LEU 9 3HD1 LEU 9 -8.022 4.594 -2.252 79 1HD2 LEU 9 1HD2 LEU 9 -8.663 1.364 -0.429 80 2HD2 LEU 9 2HD2 LEU 9 -6.931 1.689 -0.312 81 3HD2 LEU 9 3HD2 LEU 9 -7.760 1.870 -1.859 82 H SER 10 H SER 10 -6.362 2.814 -2.861 83 HA SER 10 HA SER 10 -5.109 4.275 -4.803 84 1HB SER 10 2HB SER 10 -6.709 3.341 -6.376 85 2HB SER 10 1HB SER 10 -6.276 2.131 -5.169 86 HG SER 10 HG SER 10 -8.637 2.607 -5.772 87 H ASP 11 H ASP 11 -8.692 4.641 -4.841 88 HA ASP 11 HA ASP 11 -8.175 7.529 -4.846 89 1HB ASP 11 2HB ASP 11 -8.689 6.063 -7.140 90 2HB ASP 11 1HB ASP 11 -10.222 6.853 -6.778 91 H ILE 12 H ILE 12 -10.558 5.033 -4.116 92 HA ILE 12 HA ILE 12 -12.709 6.837 -3.753 93 HB ILE 12 HB ILE 12 -13.859 5.135 -2.546 94 1HG1 ILE 12 2HG1 ILE 12 -11.139 4.239 -1.910 95 2HG1 ILE 12 1HG1 ILE 12 -12.592 4.183 -0.942 96 1HG2 ILE 12 1HG2 ILE 12 -12.168 3.882 -4.685 97 2HG2 ILE 12 2HG2 ILE 12 -13.615 4.856 -4.942 98 3HG2 ILE 12 3HG2 ILE 12 -13.734 3.301 -4.119 99 1HD1 ILE 12 1HD1 ILE 12 -13.243 2.121 -1.887 100 2HD1 ILE 12 2HD1 ILE 12 -11.514 1.973 -1.548 101 3HD1 ILE 12 3HD1 ILE 12 -12.071 2.264 -3.198 102 H GLY 13 H GLY 13 -12.754 8.486 -2.404 103 1HA GLY 13 2HA GLY 13 -11.304 8.208 0.139 104 2HA GLY 13 1HA GLY 13 -11.537 9.729 -0.706 105 H GLU 14 H GLU 14 -12.147 9.735 1.885 106 HA GLU 14 HA GLU 14 -14.504 8.918 2.917 107 1HB GLU 14 2HB GLU 14 -12.932 11.420 3.219 108 2HB GLU 14 1HB GLU 14 -14.559 11.414 3.886 109 1HG GLU 14 2HG GLU 14 -13.472 10.648 5.703 110 2HG GLU 14 1HG GLU 14 -13.698 9.101 4.888 111 H GLY 15 H GLY 15 -16.270 8.692 1.633 112 1HA GLY 15 2HA GLY 15 -18.207 10.535 1.372 113 2HA GLY 15 1HA GLY 15 -17.201 10.881 -0.028 114 H ILE 16 H ILE 16 -16.497 7.947 -0.155 115 HA ILE 16 HA ILE 16 -19.046 6.920 -1.187 116 HB ILE 16 HB ILE 16 -18.078 6.098 -3.164 117 1HG1 ILE 16 2HG1 ILE 16 -15.878 5.394 -2.049 118 2HG1 ILE 16 1HG1 ILE 16 -15.776 5.974 -3.705 119 1HG2 ILE 16 1HG2 ILE 16 -16.617 8.402 -3.718 120 2HG2 ILE 16 2HG2 ILE 16 -17.798 8.877 -2.498 121 3HG2 ILE 16 3HG2 ILE 16 -18.336 8.128 -4.000 122 1HD1 ILE 16 1HD1 ILE 16 -14.381 7.577 -3.125 123 2HD1 ILE 16 2HD1 ILE 16 -14.295 6.826 -1.529 124 3HD1 ILE 16 3HD1 ILE 16 -15.447 8.133 -1.838 125 H ARG 17 H ARG 17 -18.007 4.466 -2.097 126 HA ARG 17 HA ARG 17 -17.773 3.078 0.415 127 1HB ARG 17 2HB ARG 17 -17.839 2.150 -2.459 128 2HB ARG 17 1HB ARG 17 -17.638 1.044 -1.107 129 1HG ARG 17 2HG ARG 17 -19.911 2.841 -0.797 130 2HG ARG 17 1HG ARG 17 -20.019 1.800 -2.217 131 1HD ARG 17 2HD ARG 17 -20.368 -0.032 -0.982 132 2HD ARG 17 1HD ARG 17 -19.102 0.398 0.167 133 HE ARG 17 HE ARG 17 -21.521 1.945 0.425 134 1HH1 ARG 17 1HH1 ARG 17 -19.823 -0.938 1.391 135 2HH1 ARG 17 2HH1 ARG 17 -20.715 -1.126 2.863 136 1HH2 ARG 17 1HH2 ARG 17 -22.699 1.710 2.361 137 2HH2 ARG 17 2HH2 ARG 17 -22.352 0.380 3.415 138 H GLU 18 H GLU 18 -15.987 1.944 1.163 139 HA GLU 18 HA GLU 18 -13.452 2.744 -0.055 140 1HB GLU 18 2HB GLU 18 -14.030 1.621 2.688 141 2HB GLU 18 1HB GLU 18 -12.444 2.126 2.111 142 1HG GLU 18 2HG GLU 18 -14.860 3.831 2.631 143 2HG GLU 18 1HG GLU 18 -13.284 3.903 3.421 144 H VAL 19 H VAL 19 -11.618 0.955 0.298 145 HA VAL 19 HA VAL 19 -12.870 -1.586 -0.562 146 HB VAL 19 HB VAL 19 -11.837 -0.379 -2.458 147 1HG1 VAL 19 1HG1 VAL 19 -9.982 0.752 -1.721 148 2HG1 VAL 19 2HG1 VAL 19 -9.234 -0.663 -2.462 149 3HG1 VAL 19 3HG1 VAL 19 -9.429 -0.585 -0.712 150 1HG2 VAL 19 1HG2 VAL 19 -10.638 -3.024 -1.660 151 2HG2 VAL 19 2HG2 VAL 19 -10.508 -2.328 -3.275 152 3HG2 VAL 19 3HG2 VAL 19 -12.091 -2.750 -2.622 153 H THR 20 H THR 20 -11.925 -3.515 -0.051 154 HA THR 20 HA THR 20 -10.100 -3.439 2.243 155 HB THR 20 HB THR 20 -11.286 -6.009 1.352 156 HG1 THR 20 1HG THR 20 -13.207 -5.093 1.257 157 1HG2 THR 20 1HG2 THR 20 -11.425 -6.447 3.695 158 2HG2 THR 20 2HG2 THR 20 -11.173 -4.750 4.090 159 3HG2 THR 20 3HG2 THR 20 -9.856 -5.697 3.399 160 H VAL 21 H VAL 21 -8.352 -4.991 2.347 161 HA VAL 21 HA VAL 21 -6.979 -5.176 -0.185 162 HB VAL 21 HB VAL 21 -6.138 -6.264 2.505 163 1HG1 VAL 21 1HG1 VAL 21 -4.906 -6.230 -0.171 164 2HG1 VAL 21 2HG1 VAL 21 -4.659 -7.336 1.180 165 3HG1 VAL 21 3HG1 VAL 21 -3.853 -5.767 1.165 166 1HG2 VAL 21 1HG2 VAL 21 -5.510 -4.218 3.114 167 2HG2 VAL 21 2HG2 VAL 21 -6.460 -3.613 1.757 168 3HG2 VAL 21 3HG2 VAL 21 -4.734 -3.918 1.559 169 H LYS 22 H LYS 22 -6.960 -6.858 -1.528 170 HA LYS 22 HA LYS 22 -8.309 -9.309 -0.685 171 1HB LYS 22 2HB LYS 22 -8.681 -7.860 -2.904 172 2HB LYS 22 1HB LYS 22 -7.431 -8.944 -3.497 173 1HG LYS 22 2HG LYS 22 -9.067 -10.375 -3.951 174 2HG LYS 22 1HG LYS 22 -9.195 -10.633 -2.210 175 1HD LYS 22 2HD LYS 22 -10.597 -8.243 -3.109 176 2HD LYS 22 1HD LYS 22 -11.199 -9.719 -3.868 177 1HE LYS 22 2HE LYS 22 -12.474 -9.770 -1.991 178 2HE LYS 22 1HE LYS 22 -11.048 -10.591 -1.357 179 1HZ LYS 22 1HZ LYS 22 -12.133 -8.006 -0.684 180 2HZ LYS 22 2HZ LYS 22 -10.459 -8.000 -0.929 181 3HZ LYS 22 3HZ LYS 22 -11.139 -9.034 0.223 182 H GLU 23 H GLU 23 -5.158 -8.141 -1.608 183 HA GLU 23 HA GLU 23 -4.099 -10.821 -1.091 184 1HB GLU 23 2HB GLU 23 -4.010 -9.399 -3.641 185 2HB GLU 23 1HB GLU 23 -2.425 -9.917 -3.083 186 1HG GLU 23 2HG GLU 23 -4.540 -11.943 -2.888 187 2HG GLU 23 1HG GLU 23 -4.120 -11.444 -4.526 188 H TRP 24 H TRP 24 -2.652 -10.702 0.461 189 HA TRP 24 HA TRP 24 -0.936 -8.309 0.652 190 1HB TRP 24 2HB TRP 24 -2.539 -9.710 2.690 191 2HB TRP 24 1HB TRP 24 -0.885 -9.363 3.178 192 HD1 TRP 24 HD TRP 24 -4.154 -7.892 3.382 193 HE1 TRP 24 1HE TRP 24 -4.058 -5.351 3.755 194 HE3 TRP 24 3HE TRP 24 0.734 -7.081 2.139 195 HZ2 TRP 24 2HZ TRP 24 -2.165 -3.275 3.544 196 HZ3 TRP 24 3HZ TRP 24 1.606 -4.782 2.250 197 HH2 TRP 24 HH TRP 24 0.186 -2.921 2.934 198 H TYR 25 H TYR 25 1.101 -8.815 0.108 199 HA TYR 25 HA TYR 25 2.039 -11.542 0.719 200 1HB TYR 25 2HB TYR 25 2.300 -9.859 -1.646 201 2HB TYR 25 1HB TYR 25 3.846 -10.497 -1.097 202 HD1 TYR 25 1HD TYR 25 0.535 -11.361 -2.425 203 HD2 TYR 25 2HD TYR 25 4.314 -12.875 -1.184 204 HE1 TYR 25 1HE TYR 25 0.019 -13.513 -3.497 205 HE2 TYR 25 2HE TYR 25 3.808 -15.028 -2.255 206 HH TYR 25 HH TYR 25 0.747 -15.925 -3.226 207 H VAL 26 H VAL 26 2.232 -8.623 2.074 208 HA VAL 26 HA VAL 26 4.949 -9.140 3.050 209 HB VAL 26 HB VAL 26 5.573 -6.824 2.994 210 1HG1 VAL 26 1HG1 VAL 26 6.232 -7.647 0.974 211 2HG1 VAL 26 2HG1 VAL 26 5.138 -6.376 0.430 212 3HG1 VAL 26 3HG1 VAL 26 4.590 -8.049 0.474 213 1HG2 VAL 26 1HG2 VAL 26 3.781 -5.381 1.569 214 2HG2 VAL 26 2HG2 VAL 26 3.871 -5.387 3.330 215 3HG2 VAL 26 3HG2 VAL 26 2.703 -6.417 2.502 216 H LYS 27 H LYS 27 5.394 -8.057 5.152 217 HA LYS 27 HA LYS 27 2.959 -7.469 6.689 218 1HB LYS 27 2HB LYS 27 5.151 -9.340 7.597 219 2HB LYS 27 1HB LYS 27 3.747 -8.861 8.542 220 1HG LYS 27 2HG LYS 27 3.506 -10.274 5.905 221 2HG LYS 27 1HG LYS 27 3.663 -11.135 7.438 222 1HD LYS 27 2HD LYS 27 1.558 -9.035 7.025 223 2HD LYS 27 1HD LYS 27 1.300 -10.708 6.527 224 1HE LYS 27 2HE LYS 27 0.955 -11.383 8.627 225 2HE LYS 27 1HE LYS 27 2.359 -10.500 9.225 226 1HZ LYS 27 1HZ LYS 27 -0.426 -9.582 8.953 227 2HZ LYS 27 2HZ LYS 27 0.837 -8.457 8.950 228 3HZ LYS 27 3HZ LYS 27 0.610 -9.469 10.286 229 H GLU 28 H GLU 28 3.556 -6.670 8.933 230 HA GLU 28 HA GLU 28 5.049 -4.307 8.704 231 1HB GLU 28 2HB GLU 28 4.619 -5.588 11.378 232 2HB GLU 28 1HB GLU 28 4.515 -3.893 10.931 233 1HG GLU 28 2HG GLU 28 2.461 -4.653 9.539 234 2HG GLU 28 1HG GLU 28 2.498 -6.064 10.595 235 H GLY 29 H GLY 29 7.162 -3.824 9.032 236 1HA GLY 29 2HA GLY 29 9.361 -4.076 9.709 237 2HA GLY 29 1HA GLY 29 8.875 -5.493 10.625 238 H ASP 30 H ASP 30 7.742 -5.873 7.528 239 HA ASP 30 HA ASP 30 9.978 -7.647 6.879 240 1HB ASP 30 2HB ASP 30 7.164 -7.527 5.776 241 2HB ASP 30 1HB ASP 30 8.396 -8.670 5.253 242 H THR 31 H THR 31 10.800 -7.764 4.725 243 HA THR 31 HA THR 31 10.836 -5.140 3.426 244 HB THR 31 HB THR 31 12.672 -7.456 2.826 245 HG1 THR 31 1HG THR 31 13.758 -6.997 4.588 246 1HG2 THR 31 1HG2 THR 31 13.212 -4.509 2.563 247 2HG2 THR 31 2HG2 THR 31 12.458 -5.440 1.270 248 3HG2 THR 31 3HG2 THR 31 14.080 -5.855 1.824 249 H VAL 32 H VAL 32 10.594 -4.923 1.185 250 HA VAL 32 HA VAL 32 8.979 -7.029 -0.053 251 HB VAL 32 HB VAL 32 8.805 -4.785 -1.700 252 1HG1 VAL 32 1HG1 VAL 32 6.652 -5.299 -1.526 253 2HG1 VAL 32 2HG1 VAL 32 6.636 -4.966 0.206 254 3HG1 VAL 32 3HG1 VAL 32 7.135 -6.550 -0.382 255 1HG2 VAL 32 1HG2 VAL 32 8.008 -3.003 -0.167 256 2HG2 VAL 32 2HG2 VAL 32 9.739 -3.311 -0.040 257 3HG2 VAL 32 3HG2 VAL 32 8.639 -3.933 1.191 258 H SER 33 H SER 33 9.221 -7.432 -2.318 259 HA SER 33 HA SER 33 11.892 -6.812 -3.383 260 1HB SER 33 2HB SER 33 10.541 -9.459 -3.074 261 2HB SER 33 1HB SER 33 11.540 -9.199 -4.504 262 HG SER 33 HG SER 33 13.238 -9.401 -3.296 263 H GLN 34 H GLN 34 12.018 -6.955 -5.750 264 HA GLN 34 HA GLN 34 10.043 -5.488 -7.021 265 1HB GLN 34 2HB GLN 34 12.269 -7.222 -8.027 266 2HB GLN 34 1HB GLN 34 11.124 -6.522 -9.164 267 1HG GLN 34 2HG GLN 34 11.698 -4.301 -8.455 268 2HG GLN 34 1HG GLN 34 12.733 -4.937 -7.178 269 1HE2 GLN 34 1HE2 GLN 34 14.792 -4.766 -7.639 270 2HE2 GLN 34 2HE2 GLN 34 15.511 -4.917 -9.202 271 H PHE 35 H PHE 35 10.198 -8.896 -6.437 272 HA PHE 35 HA PHE 35 7.993 -9.392 -8.301 273 1HB PHE 35 2HB PHE 35 10.253 -10.867 -7.706 274 2HB PHE 35 1HB PHE 35 8.984 -11.699 -6.814 275 HD1 PHE 35 1HD PHE 35 10.726 -11.938 -9.674 276 HD2 PHE 35 2HD PHE 35 6.674 -11.641 -8.410 277 HE1 PHE 35 1HE PHE 35 10.002 -13.054 -11.745 278 HE2 PHE 35 2HE PHE 35 5.942 -12.755 -10.477 279 HZ PHE 35 HZ PHE 35 7.607 -13.464 -12.148 280 H ASP 36 H ASP 36 8.637 -8.989 -4.952 281 HA ASP 36 HA ASP 36 6.159 -10.324 -4.171 282 1HB ASP 36 2HB ASP 36 8.491 -9.210 -2.632 283 2HB ASP 36 1HB ASP 36 6.982 -9.629 -1.828 284 H SER 37 H SER 37 4.508 -9.002 -4.812 285 HA SER 37 HA SER 37 4.474 -6.200 -4.626 286 1HB SER 37 2HB SER 37 1.873 -6.664 -4.593 287 2HB SER 37 1HB SER 37 2.824 -6.991 -6.041 288 HG SER 37 HG SER 37 1.330 -8.698 -5.188 289 H ILE 38 H ILE 38 3.104 -4.874 -3.199 290 HA ILE 38 HA ILE 38 3.480 -5.687 -0.433 291 HB ILE 38 HB ILE 38 2.484 -3.089 -1.614 292 1HG1 ILE 38 2HG1 ILE 38 5.136 -4.137 -0.707 293 2HG1 ILE 38 1HG1 ILE 38 4.744 -3.199 -2.138 294 1HG2 ILE 38 1HG2 ILE 38 3.261 -3.557 1.264 295 2HG2 ILE 38 2HG2 ILE 38 1.593 -3.624 0.696 296 3HG2 ILE 38 3HG2 ILE 38 2.511 -2.127 0.556 297 1HD1 ILE 38 1HD1 ILE 38 6.068 -1.866 -0.669 298 2HD1 ILE 38 2HD1 ILE 38 4.988 -2.194 0.686 299 3HD1 ILE 38 3HD1 ILE 38 4.427 -1.218 -0.673 300 H CYS 39 H CYS 39 0.719 -4.040 -1.979 301 HA CYS 39 HA CYS 39 -1.060 -6.064 -0.842 302 1HB CYS 39 2HB CYS 39 -2.587 -3.977 -0.270 303 2HB CYS 39 1HB CYS 39 -1.395 -4.585 0.870 304 HG CYS 39 HG CYS 39 -1.517 -1.709 0.744 305 H GLU 40 H GLU 40 -3.141 -6.155 -1.781 306 HA GLU 40 HA GLU 40 -3.487 -4.657 -4.282 307 1HB GLU 40 2HB GLU 40 -3.329 -7.601 -3.906 308 2HB GLU 40 1HB GLU 40 -4.557 -7.007 -5.014 309 1HG GLU 40 2HG GLU 40 -3.061 -6.566 -6.594 310 2HG GLU 40 1HG GLU 40 -1.975 -5.764 -5.461 311 H VAL 41 H VAL 41 -5.436 -3.735 -4.381 312 HA VAL 41 HA VAL 41 -7.585 -4.857 -2.704 313 HB VAL 41 HB VAL 41 -8.469 -2.612 -2.409 314 1HG1 VAL 41 1HG1 VAL 41 -6.500 -1.618 -1.135 315 2HG1 VAL 41 2HG1 VAL 41 -5.581 -3.018 -1.689 316 3HG1 VAL 41 3HG1 VAL 41 -7.009 -3.244 -0.679 317 1HG2 VAL 41 1HG2 VAL 41 -6.562 -1.998 -4.521 318 2HG2 VAL 41 2HG2 VAL 41 -6.485 -0.864 -3.173 319 3HG2 VAL 41 3HG2 VAL 41 -8.011 -1.129 -4.016 320 H GLN 42 H GLN 42 -9.631 -4.997 -3.538 321 HA GLN 42 HA GLN 42 -10.031 -4.120 -6.312 322 1HB GLN 42 2HB GLN 42 -10.549 -6.871 -5.191 323 2HB GLN 42 1HB GLN 42 -11.293 -6.296 -6.678 324 1HG GLN 42 2HG GLN 42 -9.500 -6.912 -7.808 325 2HG GLN 42 1HG GLN 42 -8.521 -5.786 -6.869 326 1HE2 GLN 42 1HE2 GLN 42 -6.787 -6.743 -6.111 327 2HE2 GLN 42 2HE2 GLN 42 -6.698 -8.347 -5.475 328 H SER 43 H SER 43 -11.742 -2.846 -6.408 329 HA SER 43 HA SER 43 -14.007 -3.385 -4.606 330 1HB SER 43 2HB SER 43 -12.474 -1.276 -4.188 331 2HB SER 43 1HB SER 43 -13.425 -0.592 -5.507 332 HG SER 43 HG SER 43 -14.519 -0.112 -3.662 333 H ASP 44 H ASP 44 -16.096 -2.768 -5.398 334 HA ASP 44 HA ASP 44 -16.744 -3.590 -7.920 335 1HB ASP 44 2HB ASP 44 -18.382 -3.170 -6.112 336 2HB ASP 44 1HB ASP 44 -18.189 -1.437 -6.358 337 H LYS 45 H LYS 45 -15.646 -0.419 -6.928 338 HA LYS 45 HA LYS 45 -16.276 0.952 -9.329 339 1HB LYS 45 2HB LYS 45 -15.880 2.244 -7.358 340 2HB LYS 45 1HB LYS 45 -14.302 1.509 -7.114 341 1HG LYS 45 2HG LYS 45 -13.830 3.634 -7.939 342 2HG LYS 45 1HG LYS 45 -13.657 2.583 -9.346 343 1HD LYS 45 2HD LYS 45 -15.375 3.549 -10.419 344 2HD LYS 45 1HD LYS 45 -16.368 3.612 -8.962 345 1HE LYS 45 2HE LYS 45 -15.779 5.729 -8.511 346 2HE LYS 45 1HE LYS 45 -14.090 5.448 -8.931 347 1HZ LYS 45 1HZ LYS 45 -14.747 5.579 -11.290 348 2HZ LYS 45 2HZ LYS 45 -15.033 7.020 -10.453 349 3HZ LYS 45 3HZ LYS 45 -16.320 5.985 -10.817 350 H ALA 46 H ALA 46 -13.027 0.145 -8.105 351 HA ALA 46 HA ALA 46 -12.275 -0.913 -10.709 352 1HB ALA 46 1HB ALA 46 -10.132 0.765 -10.106 353 2HB ALA 46 2HB ALA 46 -11.573 1.749 -9.849 354 3HB ALA 46 3HB ALA 46 -11.309 0.964 -11.406 355 H SER 47 H SER 47 -10.375 -2.178 -10.675 356 HA SER 47 HA SER 47 -9.646 -3.106 -7.990 357 1HB SER 47 2HB SER 47 -8.463 -4.780 -9.922 358 2HB SER 47 1HB SER 47 -9.880 -5.128 -8.932 359 HG SER 47 HG SER 47 -9.809 -4.890 -11.525 360 H VAL 48 H VAL 48 -7.811 -2.392 -7.135 361 HA VAL 48 HA VAL 48 -5.670 -1.504 -8.952 362 HB VAL 48 HB VAL 48 -6.014 -0.692 -6.068 363 1HG1 VAL 48 1HG1 VAL 48 -4.628 1.155 -7.789 364 2HG1 VAL 48 2HG1 VAL 48 -3.874 -0.440 -7.840 365 3HG1 VAL 48 3HG1 VAL 48 -4.086 0.387 -6.297 366 1HG2 VAL 48 1HG2 VAL 48 -6.560 1.483 -7.761 367 2HG2 VAL 48 2HG2 VAL 48 -7.677 0.645 -6.684 368 3HG2 VAL 48 3HG2 VAL 48 -7.519 0.131 -8.364 369 H THR 49 H THR 49 -3.673 -2.318 -8.798 370 HA THR 49 HA THR 49 -3.109 -4.236 -6.631 371 HB THR 49 HB THR 49 -1.864 -5.622 -8.158 372 HG1 THR 49 1HG THR 49 -1.085 -4.763 -9.921 373 1HG2 THR 49 1HG2 THR 49 -4.522 -4.874 -9.385 374 2HG2 THR 49 2HG2 THR 49 -4.276 -6.026 -8.072 375 3HG2 THR 49 3HG2 THR 49 -3.637 -6.371 -9.680 376 H ILE 50 H ILE 50 -1.336 -3.760 -5.466 377 HA ILE 50 HA ILE 50 0.396 -1.615 -6.454 378 HB ILE 50 HB ILE 50 0.321 -2.757 -3.668 379 1HG1 ILE 50 2HG1 ILE 50 -1.881 -1.906 -4.145 380 2HG1 ILE 50 1HG1 ILE 50 -1.048 -0.730 -3.133 381 1HG2 ILE 50 1HG2 ILE 50 2.185 -1.524 -3.521 382 2HG2 ILE 50 2HG2 ILE 50 1.093 -0.139 -3.511 383 3HG2 ILE 50 3HG2 ILE 50 1.843 -0.659 -5.020 384 1HD1 ILE 50 1HD1 ILE 50 -2.064 0.591 -4.723 385 2HD1 ILE 50 2HD1 ILE 50 -1.769 -0.565 -6.022 386 3HD1 ILE 50 3HD1 ILE 50 -0.439 0.398 -5.379 387 H THR 51 H THR 51 2.044 -2.350 -7.600 388 HA THR 51 HA THR 51 3.431 -4.795 -6.829 389 HB THR 51 HB THR 51 4.562 -4.694 -8.911 390 HG1 THR 51 1HG THR 51 3.608 -2.014 -9.147 391 1HG2 THR 51 1HG2 THR 51 2.362 -5.415 -9.326 392 2HG2 THR 51 2HG2 THR 51 2.669 -4.191 -10.558 393 3HG2 THR 51 3HG2 THR 51 1.702 -3.791 -9.137 394 H SER 52 H SER 52 5.639 -4.845 -6.283 395 HA SER 52 HA SER 52 6.523 -2.629 -4.745 396 1HB SER 52 2HB SER 52 7.926 -5.169 -5.591 397 2HB SER 52 1HB SER 52 8.629 -3.982 -4.492 398 HG SER 52 HG SER 52 6.126 -5.239 -4.057 399 H ARG 53 H ARG 53 7.960 -4.158 -7.628 400 HA ARG 53 HA ARG 53 9.209 -3.343 -9.329 401 1HB ARG 53 2HB ARG 53 8.667 -1.309 -10.237 402 2HB ARG 53 1HB ARG 53 7.277 -1.563 -9.200 403 1HG ARG 53 2HG ARG 53 9.206 -0.178 -7.660 404 2HG ARG 53 1HG ARG 53 9.128 0.603 -9.237 405 1HD ARG 53 2HD ARG 53 6.973 1.274 -8.951 406 2HD ARG 53 1HD ARG 53 6.561 -0.110 -7.939 407 HE ARG 53 HE ARG 53 8.350 1.479 -6.513 408 1HH1 ARG 53 1HH1 ARG 53 5.123 1.678 -7.805 409 2HH1 ARG 53 2HH1 ARG 53 4.560 2.767 -6.581 410 1HH2 ARG 53 1HH2 ARG 53 7.622 2.916 -4.897 411 2HH2 ARG 53 2HH2 ARG 53 5.981 3.471 -4.927 412 H TYR 54 H TYR 54 10.007 -3.176 -6.279 413 HA TYR 54 HA TYR 54 12.735 -2.710 -6.671 414 1HB TYR 54 2HB TYR 54 11.137 -0.352 -6.122 415 2HB TYR 54 1HB TYR 54 12.285 -0.641 -4.821 416 HD1 TYR 54 1HD TYR 54 11.879 1.250 -7.588 417 HD2 TYR 54 2HD TYR 54 14.695 -1.506 -5.984 418 HE1 TYR 54 1HE TYR 54 13.655 2.292 -8.932 419 HE2 TYR 54 2HE TYR 54 16.480 -0.472 -7.325 420 HH TYR 54 HH TYR 54 16.339 1.024 -9.741 421 H ASP 55 H ASP 55 13.882 -2.708 -4.475 422 HA ASP 55 HA ASP 55 12.298 -4.376 -2.662 423 1HB ASP 55 2HB ASP 55 14.244 -5.533 -3.271 424 2HB ASP 55 1HB ASP 55 15.262 -4.105 -3.119 425 H GLY 56 H GLY 56 11.531 -3.530 -0.857 426 1HA GLY 56 2HA GLY 56 13.020 -1.328 0.400 427 2HA GLY 56 1HA GLY 56 11.317 -1.108 0.031 428 H VAL 57 H VAL 57 12.247 -0.797 2.590 429 HA VAL 57 HA VAL 57 11.565 -3.282 3.990 430 HB VAL 57 HB VAL 57 12.579 -0.733 5.236 431 1HG1 VAL 57 1HG1 VAL 57 11.700 -2.097 6.915 432 2HG1 VAL 57 2HG1 VAL 57 13.424 -2.467 6.928 433 3HG1 VAL 57 3HG1 VAL 57 12.290 -3.574 6.154 434 1HG2 VAL 57 1HG2 VAL 57 14.242 -1.339 3.646 435 2HG2 VAL 57 2HG2 VAL 57 14.126 -3.044 4.079 436 3HG2 VAL 57 3HG2 VAL 57 14.812 -1.889 5.222 437 H ILE 58 H ILE 58 9.576 -3.581 4.724 438 HA ILE 58 HA ILE 58 7.801 -1.270 5.102 439 HB ILE 58 HB ILE 58 6.978 -4.168 5.187 440 1HG1 ILE 58 2HG1 ILE 58 6.882 -2.402 2.746 441 2HG1 ILE 58 1HG1 ILE 58 8.207 -3.519 3.053 442 1HG2 ILE 58 1HG2 ILE 58 5.197 -2.940 5.973 443 2HG2 ILE 58 2HG2 ILE 58 4.847 -2.980 4.244 444 3HG2 ILE 58 3HG2 ILE 58 5.577 -1.543 4.965 445 1HD1 ILE 58 1HD1 ILE 58 5.759 -4.926 3.340 446 2HD1 ILE 58 2HD1 ILE 58 7.043 -5.162 2.155 447 3HD1 ILE 58 3HD1 ILE 58 5.728 -4.036 1.818 448 H LYS 59 H LYS 59 7.362 -0.567 7.099 449 HA LYS 59 HA LYS 59 8.279 -2.208 9.340 450 1HB LYS 59 2HB LYS 59 8.755 0.381 8.792 451 2HB LYS 59 1HB LYS 59 7.355 0.548 9.841 452 1HG LYS 59 2HG LYS 59 8.475 -0.641 11.610 453 2HG LYS 59 1HG LYS 59 9.848 -0.979 10.554 454 1HD LYS 59 2HD LYS 59 9.782 1.691 10.341 455 2HD LYS 59 1HD LYS 59 9.093 1.516 11.956 456 1HE LYS 59 2HE LYS 59 11.076 -0.015 12.446 457 2HE LYS 59 1HE LYS 59 11.783 0.620 10.961 458 1HZ LYS 59 1HZ LYS 59 12.633 2.017 12.558 459 2HZ LYS 59 2HZ LYS 59 11.222 2.016 13.490 460 3HZ LYS 59 3HZ LYS 59 11.279 2.894 12.046 461 H LYS 60 H LYS 60 5.320 -0.412 8.393 462 HA LYS 60 HA LYS 60 3.889 -2.181 10.234 463 1HB LYS 60 2HB LYS 60 2.852 -0.519 11.460 464 2HB LYS 60 1HB LYS 60 4.475 0.114 11.265 465 1HG LYS 60 2HG LYS 60 2.054 0.919 9.663 466 2HG LYS 60 1HG LYS 60 2.803 1.850 10.960 467 1HD LYS 60 2HD LYS 60 4.111 1.096 8.347 468 2HD LYS 60 1HD LYS 60 3.459 2.682 8.754 469 1HE LYS 60 2HE LYS 60 5.642 1.329 10.324 470 2HE LYS 60 1HE LYS 60 5.949 2.445 8.997 471 1HZ LYS 60 1HZ LYS 60 5.146 2.992 11.704 472 2HZ LYS 60 2HZ LYS 60 4.216 3.816 10.557 473 3HZ LYS 60 3HZ LYS 60 5.897 4.002 10.573 474 H LEU 61 H LEU 61 1.904 -2.791 9.665 475 HA LEU 61 HA LEU 61 0.731 -1.647 7.223 476 1HB LEU 61 2HB LEU 61 1.162 -4.497 8.020 477 2HB LEU 61 1HB LEU 61 -0.244 -4.092 7.055 478 HG LEU 61 HG LEU 61 2.656 -3.767 6.298 479 1HD1 LEU 61 1HD1 LEU 61 2.090 -5.265 4.497 480 2HD1 LEU 61 2HD1 LEU 61 0.400 -5.285 5.001 481 3HD1 LEU 61 3HD1 LEU 61 1.638 -5.999 6.035 482 1HD2 LEU 61 1HD2 LEU 61 1.737 -2.874 4.144 483 2HD2 LEU 61 2HD2 LEU 61 1.600 -1.786 5.523 484 3HD2 LEU 61 3HD2 LEU 61 0.188 -2.680 4.964 485 H TYR 62 H TYR 62 -0.777 -0.380 8.182 486 HA TYR 62 HA TYR 62 -2.284 -1.104 10.456 487 1HB TYR 62 2HB TYR 62 -1.806 1.227 9.280 488 2HB TYR 62 1HB TYR 62 -3.360 0.889 8.522 489 HD1 TYR 62 1HD TYR 62 -4.860 2.364 9.531 490 HD2 TYR 62 2HD TYR 62 -2.187 0.137 11.979 491 HE1 TYR 62 1HE TYR 62 -6.019 3.188 11.538 492 HE2 TYR 62 2HE TYR 62 -3.339 0.952 13.991 493 HH TYR 62 HH TYR 62 -5.334 3.535 14.049 494 H TYR 63 H TYR 63 -3.032 -1.232 6.986 495 HA TYR 63 HA TYR 63 -5.581 -2.529 7.646 496 1HB TYR 63 2HB TYR 63 -4.644 -1.365 5.017 497 2HB TYR 63 1HB TYR 63 -6.243 -2.027 5.338 498 HD1 TYR 63 1HD TYR 63 -5.616 0.777 4.332 499 HD2 TYR 63 2HD TYR 63 -6.229 -0.759 8.253 500 HE1 TYR 63 1HE TYR 63 -6.376 2.994 5.077 501 HE2 TYR 63 2HE TYR 63 -6.992 1.452 9.007 502 HH TYR 63 HH TYR 63 -6.421 4.076 7.894 503 H ASN 64 H ASN 64 -6.024 -4.578 7.134 504 HA ASN 64 HA ASN 64 -3.966 -6.126 5.714 505 1HB ASN 64 2HB ASN 64 -5.897 -7.005 7.868 506 2HB ASN 64 1HB ASN 64 -4.795 -8.082 7.011 507 1HD2 ASN 64 1HD2 ASN 64 -3.092 -8.575 8.168 508 2HD2 ASN 64 2HD2 ASN 64 -2.266 -7.540 9.277 509 H LEU 65 H LEU 65 -5.184 -8.410 5.213 510 HA LEU 65 HA LEU 65 -6.594 -8.081 2.894 511 1HB LEU 65 2HB LEU 65 -6.511 -10.347 4.864 512 2HB LEU 65 1HB LEU 65 -7.305 -10.472 3.314 513 HG LEU 65 HG LEU 65 -4.807 -9.544 2.631 514 1HD1 LEU 65 1HD1 LEU 65 -3.521 -11.526 3.903 515 2HD1 LEU 65 2HD1 LEU 65 -4.658 -11.045 5.162 516 3HD1 LEU 65 3HD1 LEU 65 -3.550 -9.858 4.474 517 1HD2 LEU 65 1HD2 LEU 65 -5.979 -12.312 2.720 518 2HD2 LEU 65 2HD2 LEU 65 -4.419 -11.962 1.974 519 3HD2 LEU 65 3HD2 LEU 65 -5.884 -11.205 1.350 520 H ASP 66 H ASP 66 -7.809 -8.042 6.161 521 HA ASP 66 HA ASP 66 -10.569 -8.240 5.213 522 1HB ASP 66 2HB ASP 66 -9.546 -9.487 7.274 523 2HB ASP 66 1HB ASP 66 -9.833 -7.959 8.100 524 H ASP 67 H ASP 67 -8.325 -5.891 6.481 525 HA ASP 67 HA ASP 67 -10.371 -4.010 7.212 526 1HB ASP 67 2HB ASP 67 -7.458 -3.373 6.799 527 2HB ASP 67 1HB ASP 67 -8.622 -2.528 7.812 528 H ILE 68 H ILE 68 -10.762 -1.991 6.289 529 HA ILE 68 HA ILE 68 -10.468 -1.931 3.367 530 HB ILE 68 HB ILE 68 -12.176 0.067 4.723 531 1HG1 ILE 68 2HG1 ILE 68 -12.700 -1.987 6.003 532 2HG1 ILE 68 1HG1 ILE 68 -14.056 -1.462 5.008 533 1HG2 ILE 68 1HG2 ILE 68 -13.552 -0.230 2.794 534 2HG2 ILE 68 2HG2 ILE 68 -12.699 -1.705 2.350 535 3HG2 ILE 68 3HG2 ILE 68 -11.873 -0.147 2.257 536 1HD1 ILE 68 1HD1 ILE 68 -12.955 -3.994 5.110 537 2HD1 ILE 68 2HD1 ILE 68 -12.356 -3.313 3.598 538 3HD1 ILE 68 3HD1 ILE 68 -14.090 -3.383 3.905 539 H ALA 69 H ALA 69 -9.535 -0.297 2.311 540 HA ALA 69 HA ALA 69 -8.008 1.591 3.936 541 1HB ALA 69 1HB ALA 69 -7.669 0.506 1.164 542 2HB ALA 69 2HB ALA 69 -6.536 0.484 2.516 543 3HB ALA 69 3HB ALA 69 -6.858 1.992 1.659 544 H TYR 70 H TYR 70 -7.946 3.788 3.407 545 HA TYR 70 HA TYR 70 -10.129 4.792 1.715 546 1HB TYR 70 2HB TYR 70 -9.534 6.507 4.012 547 2HB TYR 70 1HB TYR 70 -11.087 5.997 3.368 548 HD1 TYR 70 1HD TYR 70 -9.202 5.983 6.217 549 HD2 TYR 70 2HD TYR 70 -11.437 3.288 3.801 550 HE1 TYR 70 1HE TYR 70 -9.493 4.499 8.155 551 HE2 TYR 70 2HE TYR 70 -11.736 1.795 5.733 552 HH TYR 70 HH TYR 70 -9.980 1.740 8.301 553 H VAL 71 H VAL 71 -9.753 6.802 0.716 554 HA VAL 71 HA VAL 71 -6.952 7.376 0.271 555 HB VAL 71 HB VAL 71 -9.476 8.423 -1.013 556 1HG1 VAL 71 1HG1 VAL 71 -7.724 9.407 -2.690 557 2HG1 VAL 71 2HG1 VAL 71 -6.670 9.416 -1.277 558 3HG1 VAL 71 3HG1 VAL 71 -8.184 10.320 -1.253 559 1HG2 VAL 71 1HG2 VAL 71 -7.543 6.320 -1.560 560 2HG2 VAL 71 2HG2 VAL 71 -7.837 7.372 -2.943 561 3HG2 VAL 71 3HG2 VAL 71 -9.182 6.540 -2.167 562 H GLY 72 H GLY 72 -5.872 9.233 0.759 563 1HA GLY 72 2HA GLY 72 -6.098 11.640 1.361 564 2HA GLY 72 1HA GLY 72 -7.290 11.115 2.538 565 H LYS 73 H LYS 73 -5.234 8.693 2.813 566 HA LYS 73 HA LYS 73 -3.071 9.995 4.191 567 1HB LYS 73 2HB LYS 73 -3.543 9.242 6.399 568 2HB LYS 73 1HB LYS 73 -4.981 10.069 5.816 569 1HG LYS 73 2HG LYS 73 -5.848 7.759 5.178 570 2HG LYS 73 1HG LYS 73 -4.537 7.125 6.174 571 1HD LYS 73 2HD LYS 73 -6.780 8.938 7.056 572 2HD LYS 73 1HD LYS 73 -6.541 7.248 7.501 573 1HE LYS 73 2HE LYS 73 -4.162 8.643 8.138 574 2HE LYS 73 1HE LYS 73 -5.514 9.592 8.755 575 1HZ LYS 73 1HZ LYS 73 -4.791 6.799 9.407 576 2HZ LYS 73 2HZ LYS 73 -6.328 7.421 9.739 577 3HZ LYS 73 3HZ LYS 73 -4.963 8.112 10.459 578 HA PRO 74 HA PRO 74 -1.107 6.251 2.794 579 1HB PRO 74 2HB PRO 74 0.875 6.829 4.916 580 2HB PRO 74 1HB PRO 74 1.114 6.632 3.178 581 1HG PRO 74 2HG PRO 74 1.262 9.039 4.336 582 2HG PRO 74 1HG PRO 74 0.573 8.829 2.716 583 1HD PRO 74 2HD PRO 74 -0.816 9.246 5.330 584 2HD PRO 74 1HD PRO 74 -1.212 9.888 3.723 585 H LEU 75 H LEU 75 -1.228 4.150 3.397 586 HA LEU 75 HA LEU 75 -2.123 3.623 6.133 587 1HB LEU 75 2HB LEU 75 -2.860 1.422 5.217 588 2HB LEU 75 1HB LEU 75 -3.662 2.816 4.526 589 HG LEU 75 HG LEU 75 -1.514 2.334 2.811 590 1HD1 LEU 75 1HD1 LEU 75 -1.738 0.030 4.213 591 2HD1 LEU 75 2HD1 LEU 75 -1.172 0.130 2.544 592 3HD1 LEU 75 3HD1 LEU 75 -2.856 -0.275 2.883 593 1HD2 LEU 75 1HD2 LEU 75 -4.290 2.642 2.684 594 2HD2 LEU 75 2HD2 LEU 75 -3.961 1.091 1.910 595 3HD2 LEU 75 3HD2 LEU 75 -3.164 2.552 1.329 596 H VAL 76 H VAL 76 0.565 3.083 4.028 597 HA VAL 76 HA VAL 76 1.853 1.540 6.174 598 HB VAL 76 HB VAL 76 1.121 -0.140 4.575 599 1HG1 VAL 76 1HG1 VAL 76 1.414 1.758 2.677 600 2HG1 VAL 76 2HG1 VAL 76 1.281 0.032 2.334 601 3HG1 VAL 76 3HG1 VAL 76 2.868 0.799 2.402 602 1HG2 VAL 76 1HG2 VAL 76 3.476 -0.138 5.678 603 2HG2 VAL 76 2HG2 VAL 76 4.051 0.148 4.037 604 3HG2 VAL 76 3HG2 VAL 76 3.118 -1.303 4.404 605 H ASP 77 H ASP 77 4.169 1.613 6.162 606 HA ASP 77 HA ASP 77 5.283 3.796 4.530 607 1HB ASP 77 2HB ASP 77 6.475 3.061 7.167 608 2HB ASP 77 1HB ASP 77 6.527 4.599 6.320 609 H ILE 78 H ILE 78 6.830 3.146 3.183 610 HA ILE 78 HA ILE 78 8.479 0.825 3.925 611 HB ILE 78 HB ILE 78 7.766 1.152 1.056 612 1HG1 ILE 78 2HG1 ILE 78 5.835 -0.540 1.599 613 2HG1 ILE 78 1HG1 ILE 78 5.884 0.211 3.193 614 1HG2 ILE 78 1HG2 ILE 78 8.407 -1.154 2.874 615 2HG2 ILE 78 2HG2 ILE 78 9.378 -0.502 1.554 616 3HG2 ILE 78 3HG2 ILE 78 7.877 -1.361 1.205 617 1HD1 ILE 78 1HD1 ILE 78 5.812 2.096 0.951 618 2HD1 ILE 78 2HD1 ILE 78 4.918 2.091 2.474 619 3HD1 ILE 78 3HD1 ILE 78 4.377 1.083 1.131 620 H GLU 79 H GLU 79 10.613 0.861 3.172 621 HA GLU 79 HA GLU 79 11.468 3.488 2.182 622 1HB GLU 79 2HB GLU 79 12.505 1.718 4.133 623 2HB GLU 79 1HB GLU 79 13.665 1.750 2.811 624 1HG GLU 79 2HG GLU 79 12.609 4.351 3.739 625 2HG GLU 79 1HG GLU 79 13.712 3.493 4.816 626 H THR 80 H THR 80 11.755 3.671 0.080 627 HA THR 80 HA THR 80 13.051 1.501 -1.399 628 HB THR 80 HB THR 80 11.399 2.141 -3.328 629 HG1 THR 80 1HG THR 80 9.252 2.477 -2.193 630 1HG2 THR 80 1HG2 THR 80 11.623 -0.001 -1.718 631 2HG2 THR 80 2HG2 THR 80 10.384 0.143 -2.965 632 3HG2 THR 80 3HG2 THR 80 9.996 0.523 -1.287 633 H GLU 81 H GLU 81 13.978 2.191 -3.446 634 HA GLU 81 HA GLU 81 15.432 4.555 -3.258 635 1HB GLU 81 2HB GLU 81 14.731 3.061 -5.792 636 2HB GLU 81 1HB GLU 81 16.078 4.170 -5.577 637 1HG GLU 81 2HG GLU 81 16.660 2.463 -3.627 638 2HG GLU 81 1HG GLU 81 15.755 1.371 -4.674 639 H ALA 82 H ALA 82 15.116 6.605 -3.877 640 HA ALA 82 HA ALA 82 12.744 7.844 -4.019 641 1HB ALA 82 1HB ALA 82 13.818 9.743 -4.835 642 2HB ALA 82 2HB ALA 82 14.957 8.801 -5.798 643 3HB ALA 82 3HB ALA 82 15.104 8.834 -4.041 644 H LEU 83 H LEU 83 11.013 7.419 -5.195 645 HA LEU 83 HA LEU 83 11.332 7.094 -8.107 646 1HB LEU 83 2HB LEU 83 10.178 5.291 -6.228 647 2HB LEU 83 1HB LEU 83 8.883 5.923 -7.226 648 HG LEU 83 HG LEU 83 10.397 5.281 -9.225 649 1HD1 LEU 83 1HD1 LEU 83 11.560 3.469 -7.118 650 2HD1 LEU 83 2HD1 LEU 83 12.396 4.853 -7.822 651 3HD1 LEU 83 3HD1 LEU 83 11.944 3.485 -8.839 652 1HD2 LEU 83 1HD2 LEU 83 8.925 3.633 -9.473 653 2HD2 LEU 83 2HD2 LEU 83 8.366 3.982 -7.838 654 3HD2 LEU 83 3HD2 LEU 83 9.592 2.743 -8.105 655 H LYS 84 H LYS 84 10.295 8.563 -9.290 656 HA LYS 84 HA LYS 84 9.092 10.818 -8.365 657 1HB LYS 84 2HB LYS 84 9.653 9.875 -10.830 658 2HB LYS 84 1HB LYS 84 7.899 9.750 -10.854 659 1HG LYS 84 2HG LYS 84 9.217 12.289 -9.990 660 2HG LYS 84 1HG LYS 84 9.030 11.910 -11.704 661 1HD LYS 84 2HD LYS 84 6.583 11.448 -10.217 662 2HD LYS 84 1HD LYS 84 7.148 13.112 -10.054 663 1HE LYS 84 2HE LYS 84 5.646 12.897 -11.955 664 2HE LYS 84 1HE LYS 84 7.276 13.305 -12.492 665 1HZ LYS 84 1HZ LYS 84 7.584 10.853 -12.874 666 2HZ LYS 84 2HZ LYS 84 6.503 11.624 -13.922 667 3HZ LYS 84 3HZ LYS 84 5.915 10.678 -12.649 668 H ASP 85 H ASP 85 7.582 7.691 -8.826 669 HA ASP 85 HA ASP 85 4.907 8.313 -8.805 670 1HB ASP 85 2HB ASP 85 6.048 6.010 -8.928 671 2HB ASP 85 1HB ASP 85 5.997 6.032 -7.168 672 H LEU 86 H LEU 86 7.061 7.984 -6.007 673 HA LEU 86 HA LEU 86 4.966 9.232 -4.356 674 1HB LEU 86 2HB LEU 86 6.270 6.824 -3.955 675 2HB LEU 86 1HB LEU 86 7.117 7.928 -2.889 676 HG LEU 86 HG LEU 86 5.319 6.793 -1.706 677 1HD1 LEU 86 1HD1 LEU 86 4.454 9.638 -2.118 678 2HD1 LEU 86 2HD1 LEU 86 5.940 9.220 -1.265 679 3HD1 LEU 86 3HD1 LEU 86 4.383 8.667 -0.648 680 1HD2 LEU 86 1HD2 LEU 86 3.675 6.217 -3.198 681 2HD2 LEU 86 2HD2 LEU 86 3.704 7.785 -4.005 682 3HD2 LEU 86 3HD2 LEU 86 2.937 7.621 -2.426 683 H GLU 87 H GLU 87 7.341 10.323 -6.035 684 HA GLU 87 HA GLU 87 8.617 12.207 -5.909 685 1HB GLU 87 2HB GLU 87 7.934 12.501 -2.996 686 2HB GLU 87 1HB GLU 87 8.335 13.755 -4.162 687 1HG GLU 87 2HG GLU 87 6.089 12.695 -5.263 688 2HG GLU 87 1HG GLU 87 5.765 12.507 -3.540 Start of MODEL 3 1 1H MET 1 1HT MET 1 16.041 7.922 1.766 2 2H MET 1 2HT MET 1 17.090 8.028 0.443 3 3H MET 1 3HT MET 1 16.764 9.402 1.375 4 HA MET 1 HA MET 1 18.286 6.995 2.182 5 1HB MET 1 2HB MET 1 18.913 9.799 1.418 6 2HB MET 1 1HB MET 1 19.874 9.092 2.710 7 1HG MET 1 2HG MET 1 20.682 7.380 1.303 8 2HG MET 1 1HG MET 1 19.497 7.750 0.052 9 1HE MET 1 1HE MET 1 22.906 10.536 1.282 10 2HE MET 1 2HE MET 1 21.828 9.613 2.330 11 3HE MET 1 3HE MET 1 21.260 11.100 1.571 12 H GLY 2 H GLY 2 17.418 6.388 4.100 13 1HA GLY 2 2HA GLY 2 17.296 6.517 6.423 14 2HA GLY 2 1HA GLY 2 17.717 8.220 6.324 15 H GLN 3 H GLN 3 15.161 7.229 4.273 16 HA GLN 3 HA GLN 3 13.117 7.936 6.241 17 1HB GLN 3 2HB GLN 3 13.015 9.207 3.526 18 2HB GLN 3 1HB GLN 3 12.196 9.690 5.004 19 1HG GLN 3 2HG GLN 3 14.431 10.315 5.937 20 2HG GLN 3 1HG GLN 3 15.107 10.024 4.335 21 1HE2 GLN 3 1HE2 GLN 3 15.438 12.457 5.397 22 2HE2 GLN 3 2HE2 GLN 3 14.429 13.620 4.613 23 H VAL 4 H VAL 4 10.995 7.227 5.684 24 HA VAL 4 HA VAL 4 10.993 5.151 3.595 25 HB VAL 4 HB VAL 4 9.310 3.943 4.851 26 1HG1 VAL 4 1HG1 VAL 4 10.813 3.976 7.153 27 2HG1 VAL 4 2HG1 VAL 4 11.942 4.552 5.927 28 3HG1 VAL 4 3HG1 VAL 4 11.131 2.999 5.720 29 1HG2 VAL 4 1HG2 VAL 4 8.975 4.861 7.301 30 2HG2 VAL 4 2HG2 VAL 4 7.949 5.393 5.968 31 3HG2 VAL 4 3HG2 VAL 4 9.286 6.408 6.512 32 H VAL 5 H VAL 5 9.272 4.925 2.244 33 HA VAL 5 HA VAL 5 7.504 7.252 2.006 34 HB VAL 5 HB VAL 5 7.029 6.418 -0.260 35 1HG1 VAL 5 1HG1 VAL 5 8.949 7.227 -1.212 36 2HG1 VAL 5 2HG1 VAL 5 10.000 6.361 -0.092 37 3HG1 VAL 5 3HG1 VAL 5 9.144 7.808 0.442 38 1HG2 VAL 5 1HG2 VAL 5 7.262 4.031 0.152 39 2HG2 VAL 5 2HG2 VAL 5 8.994 4.232 0.420 40 3HG2 VAL 5 3HG2 VAL 5 8.309 4.532 -1.177 41 H GLN 6 H GLN 6 5.394 7.059 2.507 42 HA GLN 6 HA GLN 6 4.428 4.380 3.183 43 1HB GLN 6 2HB GLN 6 3.492 7.116 4.032 44 2HB GLN 6 1HB GLN 6 2.669 5.624 4.463 45 1HG GLN 6 2HG GLN 6 3.998 5.409 6.205 46 2HG GLN 6 1HG GLN 6 5.384 5.281 5.124 47 1HE2 GLN 6 1HE2 GLN 6 6.093 7.507 4.258 48 2HE2 GLN 6 2HE2 GLN 6 6.235 8.754 5.444 49 H PHE 7 H PHE 7 2.504 3.563 2.479 50 HA PHE 7 HA PHE 7 1.372 4.859 0.104 51 1HB PHE 7 2HB PHE 7 2.104 2.712 -0.507 52 2HB PHE 7 1HB PHE 7 1.580 1.996 1.011 53 HD1 PHE 7 1HD PHE 7 0.157 3.696 -1.989 54 HD2 PHE 7 2HD PHE 7 -0.323 0.726 1.018 55 HE1 PHE 7 1HE PHE 7 -1.932 2.960 -3.056 56 HE2 PHE 7 2HE PHE 7 -2.410 -0.018 -0.043 57 HZ PHE 7 HZ PHE 7 -3.220 1.098 -2.085 58 H LYS 8 H LYS 8 -0.795 5.306 -0.029 59 HA LYS 8 HA LYS 8 -2.412 4.770 2.374 60 1HB LYS 8 2HB LYS 8 -3.358 6.951 2.281 61 2HB LYS 8 1HB LYS 8 -1.615 7.152 2.172 62 1HG LYS 8 2HG LYS 8 -1.896 7.297 -0.323 63 2HG LYS 8 1HG LYS 8 -3.636 7.375 -0.039 64 1HD LYS 8 2HD LYS 8 -2.650 9.608 -0.298 65 2HD LYS 8 1HD LYS 8 -3.344 9.381 1.308 66 1HE LYS 8 2HE LYS 8 -1.201 9.081 2.285 67 2HE LYS 8 1HE LYS 8 -0.427 8.952 0.707 68 1HZ LYS 8 1HZ LYS 8 -1.708 11.391 0.713 69 2HZ LYS 8 2HZ LYS 8 -0.044 11.117 0.843 70 3HZ LYS 8 3HZ LYS 8 -0.987 11.273 2.239 71 H LEU 9 H LEU 9 -4.573 4.317 2.089 72 HA LEU 9 HA LEU 9 -5.382 2.900 -0.140 73 1HB LEU 9 2HB LEU 9 -6.456 2.837 2.080 74 2HB LEU 9 1HB LEU 9 -7.106 4.439 1.810 75 HG LEU 9 HG LEU 9 -8.781 2.655 1.517 76 1HD1 LEU 9 1HD1 LEU 9 -9.866 3.784 -0.094 77 2HD1 LEU 9 2HD1 LEU 9 -8.513 3.691 -1.221 78 3HD1 LEU 9 3HD1 LEU 9 -8.502 4.889 0.069 79 1HD2 LEU 9 1HD2 LEU 9 -8.348 0.797 0.433 80 2HD2 LEU 9 2HD2 LEU 9 -6.729 1.397 0.050 81 3HD2 LEU 9 3HD2 LEU 9 -8.071 1.708 -1.056 82 H SER 10 H SER 10 -5.609 3.585 -2.175 83 HA SER 10 HA SER 10 -7.070 6.067 -2.679 84 1HB SER 10 2HB SER 10 -4.455 6.322 -2.732 85 2HB SER 10 1HB SER 10 -4.611 5.544 -4.308 86 HG SER 10 HG SER 10 -5.223 8.089 -3.558 87 H ASP 11 H ASP 11 -8.661 5.650 -4.047 88 HA ASP 11 HA ASP 11 -8.451 4.583 -6.560 89 1HB ASP 11 2HB ASP 11 -9.521 2.306 -6.225 90 2HB ASP 11 1HB ASP 11 -7.829 2.443 -5.765 91 H ILE 12 H ILE 12 -10.439 5.021 -3.717 92 HA ILE 12 HA ILE 12 -12.835 5.123 -5.394 93 HB ILE 12 HB ILE 12 -13.812 5.630 -2.932 94 1HG1 ILE 12 2HG1 ILE 12 -11.476 5.298 -1.987 95 2HG1 ILE 12 1HG1 ILE 12 -12.768 4.364 -1.240 96 1HG2 ILE 12 1HG2 ILE 12 -14.579 3.957 -4.558 97 2HG2 ILE 12 2HG2 ILE 12 -14.584 3.360 -2.899 98 3HG2 ILE 12 3HG2 ILE 12 -13.302 2.872 -4.009 99 1HD1 ILE 12 1HD1 ILE 12 -11.844 2.419 -1.818 100 2HD1 ILE 12 2HD1 ILE 12 -10.377 3.365 -2.070 101 3HD1 ILE 12 3HD1 ILE 12 -11.428 2.983 -3.435 102 H GLY 13 H GLY 13 -12.621 7.042 -2.454 103 1HA GLY 13 2HA GLY 13 -12.147 9.494 -3.927 104 2HA GLY 13 1HA GLY 13 -13.773 9.303 -3.287 105 H GLU 14 H GLU 14 -12.404 11.435 -2.426 106 HA GLU 14 HA GLU 14 -11.033 10.788 0.048 107 1HB GLU 14 2HB GLU 14 -11.284 13.121 -1.696 108 2HB GLU 14 1HB GLU 14 -11.358 13.530 0.012 109 1HG GLU 14 2HG GLU 14 -9.244 11.775 -0.121 110 2HG GLU 14 1HG GLU 14 -9.102 12.702 -1.614 111 H GLY 15 H GLY 15 -13.446 9.761 0.381 112 1HA GLY 15 2HA GLY 15 -14.459 10.617 2.704 113 2HA GLY 15 1HA GLY 15 -15.235 11.717 1.577 114 H ILE 16 H ILE 16 -15.200 9.410 -0.446 115 HA ILE 16 HA ILE 16 -17.838 8.512 0.130 116 HB ILE 16 HB ILE 16 -17.826 7.418 -1.940 117 1HG1 ILE 16 2HG1 ILE 16 -15.175 7.512 -2.921 118 2HG1 ILE 16 1HG1 ILE 16 -15.075 6.822 -1.300 119 1HG2 ILE 16 1HG2 ILE 16 -16.838 10.043 -1.711 120 2HG2 ILE 16 2HG2 ILE 16 -17.737 9.327 -3.049 121 3HG2 ILE 16 3HG2 ILE 16 -15.974 9.282 -3.047 122 1HD1 ILE 16 1HD1 ILE 16 -16.061 5.655 -3.758 123 2HD1 ILE 16 2HD1 ILE 16 -17.226 5.519 -2.442 124 3HD1 ILE 16 3HD1 ILE 16 -15.591 4.885 -2.241 125 H ARG 17 H ARG 17 -17.917 5.900 -0.672 126 HA ARG 17 HA ARG 17 -17.500 4.475 1.679 127 1HB ARG 17 2HB ARG 17 -18.974 3.848 -0.307 128 2HB ARG 17 1HB ARG 17 -17.517 3.230 -1.071 129 1HG ARG 17 2HG ARG 17 -17.706 1.320 0.026 130 2HG ARG 17 1HG ARG 17 -17.711 2.168 1.573 131 1HD ARG 17 2HD ARG 17 -20.031 2.311 1.629 132 2HD ARG 17 1HD ARG 17 -20.185 2.056 -0.108 133 HE ARG 17 HE ARG 17 -20.052 0.046 1.927 134 1HH1 ARG 17 1HH1 ARG 17 -19.382 0.741 -1.419 135 2HH1 ARG 17 2HH1 ARG 17 -19.487 -0.914 -1.918 136 1HH2 ARG 17 1HH2 ARG 17 -20.194 -2.135 1.282 137 2HH2 ARG 17 2HH2 ARG 17 -19.947 -2.551 -0.381 138 H GLU 18 H GLU 18 -15.968 2.824 2.201 139 HA GLU 18 HA GLU 18 -13.310 3.430 1.141 140 1HB GLU 18 2HB GLU 18 -14.183 1.970 3.637 141 2HB GLU 18 1HB GLU 18 -12.510 2.244 3.174 142 1HG GLU 18 2HG GLU 18 -12.588 4.166 4.268 143 2HG GLU 18 1HG GLU 18 -13.720 4.753 3.044 144 H VAL 19 H VAL 19 -11.765 1.394 1.199 145 HA VAL 19 HA VAL 19 -13.258 -0.861 0.012 146 HB VAL 19 HB VAL 19 -12.231 0.521 -1.763 147 1HG1 VAL 19 1HG1 VAL 19 -9.799 0.479 -2.047 148 2HG1 VAL 19 2HG1 VAL 19 -9.637 -0.351 -0.500 149 3HG1 VAL 19 3HG1 VAL 19 -10.267 1.295 -0.556 150 1HG2 VAL 19 1HG2 VAL 19 -10.984 -2.212 -1.510 151 2HG2 VAL 19 2HG2 VAL 19 -11.297 -1.323 -3.000 152 3HG2 VAL 19 3HG2 VAL 19 -12.644 -1.909 -2.023 153 H THR 20 H THR 20 -12.251 -2.905 0.025 154 HA THR 20 HA THR 20 -10.507 -3.292 2.347 155 HB THR 20 HB THR 20 -11.574 -5.652 0.926 156 HG1 THR 20 1HG THR 20 -13.605 -5.112 1.058 157 1HG2 THR 20 1HG2 THR 20 -10.352 -5.806 3.052 158 2HG2 THR 20 2HG2 THR 20 -11.997 -6.424 3.195 159 3HG2 THR 20 3HG2 THR 20 -11.597 -4.830 3.832 160 H VAL 21 H VAL 21 -8.791 -4.883 2.219 161 HA VAL 21 HA VAL 21 -7.258 -4.583 -0.213 162 HB VAL 21 HB VAL 21 -6.592 -6.220 2.238 163 1HG1 VAL 21 1HG1 VAL 21 -5.031 -6.982 0.795 164 2HG1 VAL 21 2HG1 VAL 21 -4.227 -5.468 1.206 165 3HG1 VAL 21 3HG1 VAL 21 -5.180 -5.586 -0.272 166 1HG2 VAL 21 1HG2 VAL 21 -5.976 -4.368 3.323 167 2HG2 VAL 21 2HG2 VAL 21 -6.898 -3.477 2.111 168 3HG2 VAL 21 3HG2 VAL 21 -5.163 -3.714 1.901 169 H LYS 22 H LYS 22 -7.092 -6.020 -1.832 170 HA LYS 22 HA LYS 22 -8.616 -8.497 -1.602 171 1HB LYS 22 2HB LYS 22 -9.111 -7.134 -3.533 172 2HB LYS 22 1HB LYS 22 -7.414 -7.090 -3.989 173 1HG LYS 22 2HG LYS 22 -7.623 -8.958 -5.157 174 2HG LYS 22 1HG LYS 22 -8.298 -9.809 -3.767 175 1HD LYS 22 2HD LYS 22 -10.501 -9.183 -4.323 176 2HD LYS 22 1HD LYS 22 -9.947 -7.956 -5.464 177 1HE LYS 22 2HE LYS 22 -9.013 -9.761 -6.881 178 2HE LYS 22 1HE LYS 22 -9.697 -10.946 -5.769 179 1HZ LYS 22 1HZ LYS 22 -11.514 -10.847 -7.018 180 2HZ LYS 22 2HZ LYS 22 -10.970 -9.487 -7.864 181 3HZ LYS 22 3HZ LYS 22 -11.787 -9.297 -6.396 182 H GLU 23 H GLU 23 -5.332 -7.380 -2.245 183 HA GLU 23 HA GLU 23 -4.409 -10.130 -1.800 184 1HB GLU 23 2HB GLU 23 -4.267 -8.718 -4.268 185 2HB GLU 23 1HB GLU 23 -2.632 -8.881 -3.642 186 1HG GLU 23 2HG GLU 23 -2.661 -11.172 -3.772 187 2HG GLU 23 1HG GLU 23 -4.419 -11.262 -3.671 188 H TRP 24 H TRP 24 -2.801 -10.303 -0.403 189 HA TRP 24 HA TRP 24 -1.212 -7.911 0.257 190 1HB TRP 24 2HB TRP 24 -2.806 -9.685 1.993 191 2HB TRP 24 1HB TRP 24 -1.183 -9.352 2.584 192 HD1 TRP 24 HD TRP 24 -4.471 -8.097 3.069 193 HE1 TRP 24 1HE TRP 24 -4.498 -5.617 3.754 194 HE3 TRP 24 3HE TRP 24 0.288 -6.843 1.714 195 HZ2 TRP 24 2HZ TRP 24 -2.728 -3.417 3.725 196 HZ3 TRP 24 3HZ TRP 24 1.046 -4.531 2.074 197 HH2 TRP 24 HH TRP 24 -0.432 -2.854 3.058 198 H TYR 25 H TYR 25 0.913 -8.223 -0.113 199 HA TYR 25 HA TYR 25 1.954 -10.964 0.161 200 1HB TYR 25 2HB TYR 25 2.026 -9.180 -2.200 201 2HB TYR 25 1HB TYR 25 3.504 -10.070 -1.847 202 HD1 TYR 25 1HD TYR 25 -0.176 -10.658 -2.137 203 HD2 TYR 25 2HD TYR 25 3.749 -12.178 -2.758 204 HE1 TYR 25 1HE TYR 25 -1.126 -12.654 -3.216 205 HE2 TYR 25 2HE TYR 25 2.810 -14.176 -3.840 206 HH TYR 25 HH TYR 25 -0.013 -14.438 -5.092 207 H VAL 26 H VAL 26 2.164 -8.822 2.066 208 HA VAL 26 HA VAL 26 5.025 -8.865 2.413 209 HB VAL 26 HB VAL 26 5.383 -6.483 2.578 210 1HG1 VAL 26 1HG1 VAL 26 3.998 -7.117 -0.013 211 2HG1 VAL 26 2HG1 VAL 26 5.659 -7.548 0.384 212 3HG1 VAL 26 3HG1 VAL 26 5.191 -5.853 0.257 213 1HG2 VAL 26 1HG2 VAL 26 2.986 -5.478 1.367 214 2HG2 VAL 26 2HG2 VAL 26 3.732 -5.025 2.900 215 3HG2 VAL 26 3HG2 VAL 26 2.583 -6.362 2.839 216 H LYS 27 H LYS 27 5.682 -8.127 4.557 217 HA LYS 27 HA LYS 27 3.458 -7.844 6.454 218 1HB LYS 27 2HB LYS 27 5.519 -9.980 6.362 219 2HB LYS 27 1HB LYS 27 5.066 -9.361 7.944 220 1HG LYS 27 2HG LYS 27 2.676 -9.819 6.512 221 2HG LYS 27 1HG LYS 27 3.702 -11.238 6.297 222 1HD LYS 27 2HD LYS 27 3.228 -11.920 8.359 223 2HD LYS 27 1HD LYS 27 3.843 -10.406 9.023 224 1HE LYS 27 2HE LYS 27 1.767 -9.912 9.641 225 2HE LYS 27 1HE LYS 27 1.348 -9.780 7.933 226 1HZ LYS 27 1HZ LYS 27 1.076 -12.157 9.682 227 2HZ LYS 27 2HZ LYS 27 0.935 -12.234 7.998 228 3HZ LYS 27 3HZ LYS 27 -0.154 -11.302 8.896 229 H GLU 28 H GLU 28 4.225 -7.236 8.662 230 HA GLU 28 HA GLU 28 5.708 -4.863 8.589 231 1HB GLU 28 2HB GLU 28 5.503 -6.461 11.118 232 2HB GLU 28 1HB GLU 28 5.376 -4.724 10.892 233 1HG GLU 28 2HG GLU 28 3.210 -5.379 9.564 234 2HG GLU 28 1HG GLU 28 3.321 -6.841 10.543 235 H GLY 29 H GLY 29 7.845 -4.389 8.872 236 1HA GLY 29 2HA GLY 29 10.096 -4.714 9.276 237 2HA GLY 29 1HA GLY 29 9.678 -6.213 10.093 238 H ASP 30 H ASP 30 8.288 -6.291 7.073 239 HA ASP 30 HA ASP 30 10.415 -8.042 6.102 240 1HB ASP 30 2HB ASP 30 7.583 -7.680 5.102 241 2HB ASP 30 1HB ASP 30 8.731 -8.880 4.521 242 H THR 31 H THR 31 11.142 -7.959 3.923 243 HA THR 31 HA THR 31 11.166 -5.227 2.866 244 HB THR 31 HB THR 31 12.916 -7.340 1.707 245 HG1 THR 31 1HG THR 31 13.587 -6.037 4.145 246 1HG2 THR 31 1HG2 THR 31 13.041 -5.131 0.778 247 2HG2 THR 31 2HG2 THR 31 14.513 -5.415 1.708 248 3HG2 THR 31 3HG2 THR 31 13.225 -4.415 2.379 249 H VAL 32 H VAL 32 10.865 -4.844 0.632 250 HA VAL 32 HA VAL 32 9.141 -6.830 -0.665 251 HB VAL 32 HB VAL 32 8.812 -4.441 -2.055 252 1HG1 VAL 32 1HG1 VAL 32 6.677 -4.968 -1.738 253 2HG1 VAL 32 2HG1 VAL 32 6.831 -4.858 0.016 254 3HG1 VAL 32 3HG1 VAL 32 7.270 -6.350 -0.815 255 1HG2 VAL 32 1HG2 VAL 32 8.899 -3.878 0.905 256 2HG2 VAL 32 2HG2 VAL 32 8.132 -2.832 -0.289 257 3HG2 VAL 32 3HG2 VAL 32 9.871 -3.115 -0.354 258 H SER 33 H SER 33 9.248 -7.046 -2.972 259 HA SER 33 HA SER 33 11.730 -6.126 -4.226 260 1HB SER 33 2HB SER 33 10.789 -9.005 -4.242 261 2HB SER 33 1HB SER 33 12.174 -8.371 -5.132 262 HG SER 33 HG SER 33 12.856 -7.649 -2.896 263 H GLN 34 H GLN 34 11.710 -6.428 -6.599 264 HA GLN 34 HA GLN 34 9.515 -5.291 -7.809 265 1HB GLN 34 2HB GLN 34 11.644 -5.310 -8.917 266 2HB GLN 34 1HB GLN 34 11.652 -7.067 -8.988 267 1HG GLN 34 2HG GLN 34 10.403 -7.123 -10.839 268 2HG GLN 34 1HG GLN 34 9.338 -5.835 -10.279 269 1HE2 GLN 34 1HE2 GLN 34 12.292 -6.591 -11.956 270 2HE2 GLN 34 2HE2 GLN 34 12.511 -5.039 -12.685 271 H PHE 35 H PHE 35 9.999 -8.604 -6.943 272 HA PHE 35 HA PHE 35 7.761 -9.480 -8.609 273 1HB PHE 35 2HB PHE 35 10.115 -10.753 -7.491 274 2HB PHE 35 1HB PHE 35 8.655 -11.664 -7.116 275 HD1 PHE 35 1HD PHE 35 9.968 -9.797 -10.075 276 HD2 PHE 35 2HD PHE 35 8.250 -13.387 -8.565 277 HE1 PHE 35 1HE PHE 35 9.995 -10.757 -12.339 278 HE2 PHE 35 2HE PHE 35 8.275 -14.354 -10.828 279 HZ PHE 35 HZ PHE 35 9.149 -13.039 -12.718 280 H ASP 36 H ASP 36 8.415 -8.521 -5.389 281 HA ASP 36 HA ASP 36 5.975 -9.853 -4.432 282 1HB ASP 36 2HB ASP 36 8.463 -9.785 -3.288 283 2HB ASP 36 1HB ASP 36 7.639 -8.481 -2.439 284 H SER 37 H SER 37 4.326 -8.511 -4.966 285 HA SER 37 HA SER 37 4.444 -5.675 -4.821 286 1HB SER 37 2HB SER 37 1.805 -7.023 -4.586 287 2HB SER 37 1HB SER 37 2.309 -5.712 -5.652 288 HG SER 37 HG SER 37 1.940 -7.671 -6.788 289 H ILE 38 H ILE 38 3.136 -4.320 -3.341 290 HA ILE 38 HA ILE 38 3.427 -5.310 -0.617 291 HB ILE 38 HB ILE 38 2.759 -2.535 -1.602 292 1HG1 ILE 38 2HG1 ILE 38 5.299 -3.861 -0.660 293 2HG1 ILE 38 1HG1 ILE 38 5.002 -3.067 -2.201 294 1HG2 ILE 38 1HG2 ILE 38 2.238 -1.981 0.490 295 2HG2 ILE 38 2HG2 ILE 38 3.780 -2.612 1.069 296 3HG2 ILE 38 3HG2 ILE 38 2.379 -3.675 0.955 297 1HD1 ILE 38 1HD1 ILE 38 6.092 -1.986 0.179 298 2HD1 ILE 38 2HD1 ILE 38 4.566 -1.163 -0.155 299 3HD1 ILE 38 3HD1 ILE 38 5.837 -1.198 -1.378 300 H CYS 39 H CYS 39 0.924 -3.068 -1.739 301 HA CYS 39 HA CYS 39 -1.086 -4.898 -0.603 302 1HB CYS 39 2HB CYS 39 -0.628 -2.808 0.736 303 2HB CYS 39 1HB CYS 39 -1.264 -1.885 -0.620 304 HG CYS 39 HG CYS 39 -3.832 -2.871 -0.453 305 H GLU 40 H GLU 40 -3.060 -5.083 -1.628 306 HA GLU 40 HA GLU 40 -3.457 -3.620 -4.130 307 1HB GLU 40 2HB GLU 40 -3.621 -6.632 -3.909 308 2HB GLU 40 1HB GLU 40 -4.040 -5.685 -5.329 309 1HG GLU 40 2HG GLU 40 -1.957 -6.064 -5.999 310 2HG GLU 40 1HG GLU 40 -1.483 -4.861 -4.801 311 H VAL 41 H VAL 41 -5.466 -2.860 -4.243 312 HA VAL 41 HA VAL 41 -7.596 -4.287 -2.790 313 HB VAL 41 HB VAL 41 -8.634 -2.179 -2.182 314 1HG1 VAL 41 1HG1 VAL 41 -6.246 -3.183 -1.116 315 2HG1 VAL 41 2HG1 VAL 41 -7.442 -2.169 -0.308 316 3HG1 VAL 41 3HG1 VAL 41 -6.068 -1.428 -1.129 317 1HG2 VAL 41 1HG2 VAL 41 -7.751 -0.052 -2.674 318 2HG2 VAL 41 2HG2 VAL 41 -7.691 -0.947 -4.192 319 3HG2 VAL 41 3HG2 VAL 41 -6.223 -0.728 -3.241 320 H GLN 42 H GLN 42 -9.751 -3.982 -3.662 321 HA GLN 42 HA GLN 42 -9.760 -3.075 -6.462 322 1HB GLN 42 2HB GLN 42 -10.836 -5.660 -5.351 323 2HB GLN 42 1HB GLN 42 -11.365 -5.009 -6.897 324 1HG GLN 42 2HG GLN 42 -8.907 -4.969 -7.542 325 2HG GLN 42 1HG GLN 42 -8.633 -5.967 -6.115 326 1HE2 GLN 42 1HE2 GLN 42 -7.854 -7.111 -8.303 327 2HE2 GLN 42 2HE2 GLN 42 -8.965 -8.306 -8.872 328 H SER 43 H SER 43 -11.485 -1.921 -7.103 329 HA SER 43 HA SER 43 -13.642 -1.525 -5.138 330 1HB SER 43 2HB SER 43 -12.041 0.427 -5.805 331 2HB SER 43 1HB SER 43 -12.998 0.474 -7.285 332 HG SER 43 HG SER 43 -14.147 0.563 -4.698 333 H ASP 44 H ASP 44 -15.778 -1.342 -5.892 334 HA ASP 44 HA ASP 44 -16.598 -3.134 -7.807 335 1HB ASP 44 2HB ASP 44 -17.913 -0.729 -6.590 336 2HB ASP 44 1HB ASP 44 -18.735 -1.635 -7.856 337 H LYS 45 H LYS 45 -15.626 0.199 -8.237 338 HA LYS 45 HA LYS 45 -16.569 0.282 -10.974 339 1HB LYS 45 2HB LYS 45 -15.727 2.551 -11.012 340 2HB LYS 45 1HB LYS 45 -16.659 2.291 -9.544 341 1HG LYS 45 2HG LYS 45 -14.596 2.020 -8.273 342 2HG LYS 45 1HG LYS 45 -13.654 2.265 -9.746 343 1HD LYS 45 2HD LYS 45 -15.271 4.457 -9.758 344 2HD LYS 45 1HD LYS 45 -15.019 4.215 -8.029 345 1HE LYS 45 2HE LYS 45 -12.578 4.153 -8.438 346 2HE LYS 45 1HE LYS 45 -12.883 4.508 -10.138 347 1HZ LYS 45 1HZ LYS 45 -13.841 6.609 -9.529 348 2HZ LYS 45 2HZ LYS 45 -12.305 6.488 -8.830 349 3HZ LYS 45 3HZ LYS 45 -13.686 6.261 -7.879 350 H ALA 46 H ALA 46 -13.423 0.263 -9.308 351 HA ALA 46 HA ALA 46 -12.237 -0.962 -11.669 352 1HB ALA 46 1HB ALA 46 -10.820 1.400 -10.503 353 2HB ALA 46 2HB ALA 46 -12.050 1.617 -11.747 354 3HB ALA 46 3HB ALA 46 -10.619 0.643 -12.083 355 H SER 47 H SER 47 -10.094 -1.829 -11.275 356 HA SER 47 HA SER 47 -9.680 -2.480 -8.433 357 1HB SER 47 2HB SER 47 -8.390 -4.481 -9.449 358 2HB SER 47 1HB SER 47 -10.152 -4.515 -9.516 359 HG SER 47 HG SER 47 -8.675 -3.421 -11.645 360 H VAL 48 H VAL 48 -7.697 -2.158 -7.518 361 HA VAL 48 HA VAL 48 -5.569 -1.135 -9.278 362 HB VAL 48 HB VAL 48 -4.904 0.359 -7.340 363 1HG1 VAL 48 1HG1 VAL 48 -6.440 2.119 -7.975 364 2HG1 VAL 48 2HG1 VAL 48 -7.563 0.933 -8.640 365 3HG1 VAL 48 3HG1 VAL 48 -5.989 1.177 -9.397 366 1HG2 VAL 48 1HG2 VAL 48 -7.732 -0.176 -6.445 367 2HG2 VAL 48 2HG2 VAL 48 -6.575 0.929 -5.703 368 3HG2 VAL 48 3HG2 VAL 48 -6.291 -0.811 -5.652 369 H THR 49 H THR 49 -3.513 -1.749 -8.839 370 HA THR 49 HA THR 49 -3.033 -3.434 -6.478 371 HB THR 49 HB THR 49 -1.762 -5.029 -7.754 372 HG1 THR 49 1HG THR 49 -1.646 -4.792 -10.070 373 1HG2 THR 49 1HG2 THR 49 -3.600 -6.161 -8.309 374 2HG2 THR 49 2HG2 THR 49 -3.931 -5.070 -9.654 375 3HG2 THR 49 3HG2 THR 49 -4.522 -4.682 -8.038 376 H ILE 50 H ILE 50 -1.187 -2.944 -5.412 377 HA ILE 50 HA ILE 50 0.514 -0.878 -6.601 378 HB ILE 50 HB ILE 50 0.421 -1.845 -3.742 379 1HG1 ILE 50 2HG1 ILE 50 -1.669 -0.738 -4.475 380 2HG1 ILE 50 1HG1 ILE 50 -0.802 0.208 -3.268 381 1HG2 ILE 50 1HG2 ILE 50 2.124 0.067 -5.200 382 2HG2 ILE 50 2HG2 ILE 50 2.455 -0.869 -3.742 383 3HG2 ILE 50 3HG2 ILE 50 1.510 0.617 -3.641 384 1HD1 ILE 50 1HD1 ILE 50 -1.793 1.166 -5.613 385 2HD1 ILE 50 2HD1 ILE 50 -0.101 0.881 -6.019 386 3HD1 ILE 50 3HD1 ILE 50 -0.518 1.925 -4.661 387 H THR 51 H THR 51 2.110 -1.706 -7.761 388 HA THR 51 HA THR 51 3.390 -4.194 -7.080 389 HB THR 51 HB THR 51 4.767 -3.841 -9.045 390 HG1 THR 51 1HG THR 51 3.503 -1.313 -9.371 391 1HG2 THR 51 1HG2 THR 51 1.833 -3.483 -9.184 392 2HG2 THR 51 2HG2 THR 51 2.856 -4.737 -9.884 393 3HG2 THR 51 3HG2 THR 51 2.737 -3.160 -10.664 394 H SER 52 H SER 52 5.971 -4.012 -7.383 395 HA SER 52 HA SER 52 6.795 -2.263 -5.191 396 1HB SER 52 2HB SER 52 8.546 -4.379 -6.398 397 2HB SER 52 1HB SER 52 8.521 -3.765 -4.745 398 HG SER 52 HG SER 52 7.568 -5.821 -4.855 399 H ARG 53 H ARG 53 8.209 -3.383 -8.271 400 HA ARG 53 HA ARG 53 9.498 -2.372 -9.827 401 1HB ARG 53 2HB ARG 53 8.990 -0.225 -10.483 402 2HB ARG 53 1HB ARG 53 7.553 -0.659 -9.578 403 1HG ARG 53 2HG ARG 53 9.411 0.570 -7.791 404 2HG ARG 53 1HG ARG 53 9.245 1.571 -9.232 405 1HD ARG 53 2HD ARG 53 6.893 0.483 -7.701 406 2HD ARG 53 1HD ARG 53 7.619 2.052 -7.364 407 HE ARG 53 HE ARG 53 7.071 2.049 -10.061 408 1HH1 ARG 53 1HH1 ARG 53 5.255 1.683 -7.110 409 2HH1 ARG 53 2HH1 ARG 53 3.796 2.340 -7.773 410 1HH2 ARG 53 1HH2 ARG 53 5.152 2.916 -10.943 411 2HH2 ARG 53 2HH2 ARG 53 3.738 3.042 -9.951 412 H TYR 54 H TYR 54 10.261 -2.486 -6.738 413 HA TYR 54 HA TYR 54 12.985 -2.041 -7.065 414 1HB TYR 54 2HB TYR 54 11.481 0.345 -6.450 415 2HB TYR 54 1HB TYR 54 12.546 -0.052 -5.105 416 HD1 TYR 54 1HD TYR 54 15.022 -0.399 -5.610 417 HD2 TYR 54 2HD TYR 54 12.323 1.373 -8.379 418 HE1 TYR 54 1HE TYR 54 16.922 0.580 -6.826 419 HE2 TYR 54 2HE TYR 54 14.215 2.359 -9.603 420 HH TYR 54 HH TYR 54 17.446 2.296 -8.354 421 H ASP 55 H ASP 55 14.096 -2.111 -4.811 422 HA ASP 55 HA ASP 55 12.482 -3.916 -3.165 423 1HB ASP 55 2HB ASP 55 14.490 -4.844 -2.313 424 2HB ASP 55 1HB ASP 55 14.724 -4.681 -4.050 425 H GLY 56 H GLY 56 11.666 -3.235 -1.301 426 1HA GLY 56 2HA GLY 56 13.069 -1.066 0.107 427 2HA GLY 56 1HA GLY 56 11.345 -0.925 -0.208 428 H VAL 57 H VAL 57 12.335 -0.770 2.361 429 HA VAL 57 HA VAL 57 11.752 -3.401 3.534 430 HB VAL 57 HB VAL 57 12.927 -0.991 4.920 431 1HG1 VAL 57 1HG1 VAL 57 12.715 -3.892 5.714 432 2HG1 VAL 57 2HG1 VAL 57 11.874 -2.528 6.451 433 3HG1 VAL 57 3HG1 VAL 57 13.626 -2.668 6.599 434 1HG2 VAL 57 1HG2 VAL 57 15.051 -1.702 4.442 435 2HG2 VAL 57 2HG2 VAL 57 14.226 -2.172 2.956 436 3HG2 VAL 57 3HG2 VAL 57 14.556 -3.377 4.200 437 H ILE 58 H ILE 58 9.826 -3.755 4.377 438 HA ILE 58 HA ILE 58 8.099 -1.483 5.067 439 HB ILE 58 HB ILE 58 7.265 -4.379 4.922 440 1HG1 ILE 58 2HG1 ILE 58 7.108 -2.336 2.701 441 2HG1 ILE 58 1HG1 ILE 58 8.331 -3.600 2.787 442 1HG2 ILE 58 1HG2 ILE 58 5.115 -2.956 4.181 443 2HG2 ILE 58 2HG2 ILE 58 5.901 -1.775 5.231 444 3HG2 ILE 58 3HG2 ILE 58 5.467 -3.364 5.861 445 1HD1 ILE 58 1HD1 ILE 58 5.909 -3.772 1.521 446 2HD1 ILE 58 2HD1 ILE 58 5.631 -4.628 3.037 447 3HD1 ILE 58 3HD1 ILE 58 6.944 -5.127 1.970 448 H LYS 59 H LYS 59 7.707 -0.986 7.122 449 HA LYS 59 HA LYS 59 8.828 -2.740 9.173 450 1HB LYS 59 2HB LYS 59 9.594 -0.437 9.135 451 2HB LYS 59 1HB LYS 59 7.943 0.138 9.318 452 1HG LYS 59 2HG LYS 59 7.802 -0.772 11.525 453 2HG LYS 59 1HG LYS 59 9.366 -1.570 11.344 454 1HD LYS 59 2HD LYS 59 10.543 0.398 11.551 455 2HD LYS 59 1HD LYS 59 9.196 1.385 10.982 456 1HE LYS 59 2HE LYS 59 9.235 1.888 13.233 457 2HE LYS 59 1HE LYS 59 8.039 0.595 13.171 458 1HZ LYS 59 1HZ LYS 59 9.884 -0.961 13.742 459 2HZ LYS 59 2HZ LYS 59 9.498 0.142 14.965 460 3HZ LYS 59 3HZ LYS 59 10.875 0.384 14.013 461 H LYS 60 H LYS 60 5.698 -1.224 8.375 462 HA LYS 60 HA LYS 60 4.470 -3.148 10.172 463 1HB LYS 60 2HB LYS 60 3.447 -1.673 11.639 464 2HB LYS 60 1HB LYS 60 5.049 -0.983 11.441 465 1HG LYS 60 2HG LYS 60 2.555 -0.050 10.033 466 2HG LYS 60 1HG LYS 60 3.307 0.726 11.427 467 1HD LYS 60 2HD LYS 60 4.603 0.333 8.730 468 2HD LYS 60 1HD LYS 60 3.894 1.839 9.315 469 1HE LYS 60 2HE LYS 60 6.223 0.372 10.551 470 2HE LYS 60 1HE LYS 60 6.320 1.843 9.583 471 1HZ LYS 60 1HZ LYS 60 5.384 1.484 12.333 472 2HZ LYS 60 2HZ LYS 60 4.654 2.693 11.402 473 3HZ LYS 60 3HZ LYS 60 6.324 2.723 11.666 474 H LEU 61 H LEU 61 2.383 -3.640 9.785 475 HA LEU 61 HA LEU 61 0.962 -2.252 7.635 476 1HB LEU 61 2HB LEU 61 1.476 -5.217 7.842 477 2HB LEU 61 1HB LEU 61 0.218 -4.538 6.828 478 HG LEU 61 HG LEU 61 2.729 -3.247 6.249 479 1HD1 LEU 61 1HD1 LEU 61 2.932 -6.038 6.877 480 2HD1 LEU 61 2HD1 LEU 61 4.190 -4.905 6.388 481 3HD1 LEU 61 3HD1 LEU 61 3.258 -5.770 5.165 482 1HD2 LEU 61 1HD2 LEU 61 2.187 -3.880 4.007 483 2HD2 LEU 61 2HD2 LEU 61 0.700 -3.389 4.819 484 3HD2 LEU 61 3HD2 LEU 61 1.048 -5.101 4.574 485 H TYR 62 H TYR 62 -1.224 -2.026 8.049 486 HA TYR 62 HA TYR 62 -2.174 -3.293 10.534 487 1HB TYR 62 2HB TYR 62 -1.878 -0.767 10.461 488 2HB TYR 62 1HB TYR 62 -3.255 -0.739 9.364 489 HD1 TYR 62 1HD TYR 62 -5.493 -1.409 10.170 490 HD2 TYR 62 2HD TYR 62 -2.165 -1.136 12.806 491 HE1 TYR 62 1HE TYR 62 -7.026 -1.395 12.092 492 HE2 TYR 62 2HE TYR 62 -3.688 -1.122 14.737 493 HH TYR 62 HH TYR 62 -6.993 -1.908 14.476 494 H TYR 63 H TYR 63 -3.302 -2.212 7.322 495 HA TYR 63 HA TYR 63 -5.816 -3.592 7.693 496 1HB TYR 63 2HB TYR 63 -4.707 -2.163 5.272 497 2HB TYR 63 1HB TYR 63 -6.347 -2.788 5.423 498 HD1 TYR 63 1HD TYR 63 -7.975 -1.681 6.855 499 HD2 TYR 63 2HD TYR 63 -4.017 -0.179 6.476 500 HE1 TYR 63 1HE TYR 63 -8.687 0.434 7.886 501 HE2 TYR 63 2HE TYR 63 -4.715 1.943 7.504 502 HH TYR 63 HH TYR 63 -6.876 3.237 7.775 503 H ASN 64 H ASN 64 -6.462 -5.473 6.831 504 HA ASN 64 HA ASN 64 -4.476 -7.003 5.293 505 1HB ASN 64 2HB ASN 64 -6.559 -8.036 7.224 506 2HB ASN 64 1HB ASN 64 -5.448 -9.036 6.287 507 1HD2 ASN 64 1HD2 ASN 64 -4.080 -9.876 7.695 508 2HD2 ASN 64 2HD2 ASN 64 -3.194 -9.001 8.892 509 H LEU 65 H LEU 65 -5.804 -9.059 4.421 510 HA LEU 65 HA LEU 65 -7.140 -8.264 2.161 511 1HB LEU 65 2HB LEU 65 -6.997 -10.819 3.702 512 2HB LEU 65 1HB LEU 65 -8.019 -10.708 2.289 513 HG LEU 65 HG LEU 65 -5.396 -9.700 1.680 514 1HD1 LEU 65 1HD1 LEU 65 -5.039 -11.435 3.627 515 2HD1 LEU 65 2HD1 LEU 65 -3.981 -11.410 2.216 516 3HD1 LEU 65 3HD1 LEU 65 -5.278 -12.600 2.325 517 1HD2 LEU 65 1HD2 LEU 65 -6.743 -12.191 0.664 518 2HD2 LEU 65 2HD2 LEU 65 -5.570 -11.169 -0.168 519 3HD2 LEU 65 3HD2 LEU 65 -7.200 -10.570 0.141 520 H ASP 66 H ASP 66 -8.413 -8.554 5.366 521 HA ASP 66 HA ASP 66 -11.160 -8.531 4.320 522 1HB ASP 66 2HB ASP 66 -9.912 -9.790 6.588 523 2HB ASP 66 1HB ASP 66 -11.232 -8.755 7.124 524 H ASP 67 H ASP 67 -8.868 -6.619 6.124 525 HA ASP 67 HA ASP 67 -10.810 -4.821 7.202 526 1HB ASP 67 2HB ASP 67 -7.892 -4.192 6.825 527 2HB ASP 67 1HB ASP 67 -8.993 -3.571 8.048 528 H ILE 68 H ILE 68 -11.157 -2.657 6.676 529 HA ILE 68 HA ILE 68 -10.814 -2.036 3.816 530 HB ILE 68 HB ILE 68 -12.615 -0.452 5.595 531 1HG1 ILE 68 2HG1 ILE 68 -13.121 -2.874 6.022 532 2HG1 ILE 68 1HG1 ILE 68 -14.456 -1.967 5.318 533 1HG2 ILE 68 1HG2 ILE 68 -12.038 0.052 3.153 534 2HG2 ILE 68 2HG2 ILE 68 -13.741 0.074 3.620 535 3HG2 ILE 68 3HG2 ILE 68 -13.082 -1.318 2.764 536 1HD1 ILE 68 1HD1 ILE 68 -12.693 -3.299 3.393 537 2HD1 ILE 68 2HD1 ILE 68 -14.451 -3.180 3.435 538 3HD1 ILE 68 3HD1 ILE 68 -13.623 -4.370 4.441 539 H ALA 69 H ALA 69 -9.738 -0.273 3.180 540 HA ALA 69 HA ALA 69 -8.498 1.347 5.284 541 1HB ALA 69 1HB ALA 69 -6.766 1.870 3.741 542 2HB ALA 69 2HB ALA 69 -7.684 1.208 2.389 543 3HB ALA 69 3HB ALA 69 -7.047 0.133 3.630 544 H TYR 70 H TYR 70 -8.527 3.599 5.169 545 HA TYR 70 HA TYR 70 -10.769 4.686 3.624 546 1HB TYR 70 2HB TYR 70 -9.355 5.755 6.075 547 2HB TYR 70 1HB TYR 70 -10.677 6.571 5.248 548 HD1 TYR 70 1HD TYR 70 -12.717 6.385 6.286 549 HD2 TYR 70 2HD TYR 70 -9.996 3.126 6.559 550 HE1 TYR 70 1HE TYR 70 -14.344 5.149 7.655 551 HE2 TYR 70 2HE TYR 70 -11.616 1.880 7.926 552 HH TYR 70 HH TYR 70 -14.874 2.911 8.314 553 H VAL 71 H VAL 71 -10.567 6.606 2.450 554 HA VAL 71 HA VAL 71 -7.919 7.040 1.353 555 HB VAL 71 HB VAL 71 -10.441 8.499 0.590 556 1HG1 VAL 71 1HG1 VAL 71 -9.162 8.423 -1.663 557 2HG1 VAL 71 2HG1 VAL 71 -7.755 8.083 -0.655 558 3HG1 VAL 71 3HG1 VAL 71 -8.662 9.577 -0.426 559 1HG2 VAL 71 1HG2 VAL 71 -10.190 5.767 0.479 560 2HG2 VAL 71 2HG2 VAL 71 -9.657 6.268 -1.124 561 3HG2 VAL 71 3HG2 VAL 71 -11.252 6.739 -0.538 562 H GLY 72 H GLY 72 -6.588 8.656 1.891 563 1HA GLY 72 2HA GLY 72 -6.419 11.104 2.226 564 2HA GLY 72 1HA GLY 72 -7.738 10.939 3.371 565 H LYS 73 H LYS 73 -5.641 8.318 3.655 566 HA LYS 73 HA LYS 73 -3.738 9.605 5.400 567 1HB LYS 73 2HB LYS 73 -5.818 9.336 6.786 568 2HB LYS 73 1HB LYS 73 -5.644 7.596 6.598 569 1HG LYS 73 2HG LYS 73 -4.728 8.156 8.702 570 2HG LYS 73 1HG LYS 73 -3.366 7.814 7.632 571 1HD LYS 73 2HD LYS 73 -2.584 9.759 8.486 572 2HD LYS 73 1HD LYS 73 -3.606 10.459 7.229 573 1HE LYS 73 2HE LYS 73 -4.718 11.555 8.807 574 2HE LYS 73 1HE LYS 73 -5.281 10.006 9.435 575 1HZ LYS 73 1HZ LYS 73 -2.623 10.998 10.208 576 2HZ LYS 73 2HZ LYS 73 -3.673 9.976 11.054 577 3HZ LYS 73 3HZ LYS 73 -3.996 11.634 10.967 578 HA PRO 74 HA PRO 74 -1.288 6.231 3.842 579 1HB PRO 74 2HB PRO 74 0.296 6.608 6.318 580 2HB PRO 74 1HB PRO 74 0.816 6.662 4.631 581 1HG PRO 74 2HG PRO 74 0.602 8.894 6.080 582 2HG PRO 74 1HG PRO 74 0.166 8.865 4.361 583 1HD PRO 74 2HD PRO 74 -1.606 8.842 6.770 584 2HD PRO 74 1HD PRO 74 -1.823 9.670 5.215 585 H LEU 75 H LEU 75 -0.684 4.056 4.409 586 HA LEU 75 HA LEU 75 -1.987 3.061 6.849 587 1HB LEU 75 2HB LEU 75 -2.934 1.224 5.722 588 2HB LEU 75 1HB LEU 75 -3.324 2.641 4.771 589 HG LEU 75 HG LEU 75 -0.976 1.740 3.621 590 1HD1 LEU 75 1HD1 LEU 75 -2.300 -0.729 3.309 591 2HD1 LEU 75 2HD1 LEU 75 -2.143 -0.444 5.042 592 3HD1 LEU 75 3HD1 LEU 75 -0.712 -0.426 4.012 593 1HD2 LEU 75 1HD2 LEU 75 -2.581 2.502 2.172 594 2HD2 LEU 75 2HD2 LEU 75 -3.878 1.598 2.953 595 3HD2 LEU 75 3HD2 LEU 75 -2.719 0.763 1.916 596 H VAL 76 H VAL 76 0.581 2.599 4.465 597 HA VAL 76 HA VAL 76 1.988 0.961 6.472 598 HB VAL 76 HB VAL 76 1.101 -0.520 4.700 599 1HG1 VAL 76 1HG1 VAL 76 1.760 -0.356 2.446 600 2HG1 VAL 76 2HG1 VAL 76 3.000 0.844 2.813 601 3HG1 VAL 76 3HG1 VAL 76 1.294 1.280 2.914 602 1HG2 VAL 76 1HG2 VAL 76 4.005 -0.562 4.168 603 2HG2 VAL 76 2HG2 VAL 76 2.938 -1.841 4.748 604 3HG2 VAL 76 3HG2 VAL 76 3.522 -0.607 5.861 605 H ASP 77 H ASP 77 4.269 1.080 6.448 606 HA ASP 77 HA ASP 77 5.347 3.363 4.937 607 1HB ASP 77 2HB ASP 77 6.616 2.397 7.466 608 2HB ASP 77 1HB ASP 77 6.660 4.000 6.747 609 H ILE 78 H ILE 78 6.976 2.942 3.589 610 HA ILE 78 HA ILE 78 8.601 0.531 4.000 611 HB ILE 78 HB ILE 78 7.736 1.234 1.225 612 1HG1 ILE 78 2HG1 ILE 78 6.024 -0.761 1.735 613 2HG1 ILE 78 1HG1 ILE 78 6.082 -0.039 3.343 614 1HG2 ILE 78 1HG2 ILE 78 8.783 -1.203 2.620 615 2HG2 ILE 78 2HG2 ILE 78 9.461 -0.334 1.243 616 3HG2 ILE 78 3HG2 ILE 78 8.004 -1.306 1.041 617 1HD1 ILE 78 1HD1 ILE 78 4.480 0.746 1.241 618 2HD1 ILE 78 2HD1 ILE 78 5.761 1.961 1.284 619 3HD1 ILE 78 3HD1 ILE 78 4.793 1.646 2.726 620 H GLU 79 H GLU 79 10.738 0.678 3.188 621 HA GLU 79 HA GLU 79 11.519 3.428 2.525 622 1HB GLU 79 2HB GLU 79 12.733 1.275 4.046 623 2HB GLU 79 1HB GLU 79 13.839 1.898 2.830 624 1HG GLU 79 2HG GLU 79 12.589 4.100 4.122 625 2HG GLU 79 1HG GLU 79 13.194 2.992 5.352 626 H THR 80 H THR 80 11.676 3.872 0.456 627 HA THR 80 HA THR 80 13.071 2.021 -1.322 628 HB THR 80 HB THR 80 11.277 2.720 -3.104 629 HG1 THR 80 1HG THR 80 9.209 2.964 -2.163 630 1HG2 THR 80 1HG2 THR 80 10.456 0.599 -2.962 631 2HG2 THR 80 2HG2 THR 80 10.164 0.711 -1.226 632 3HG2 THR 80 3HG2 THR 80 11.796 0.423 -1.829 633 H GLU 81 H GLU 81 13.880 3.061 -3.270 634 HA GLU 81 HA GLU 81 15.011 5.573 -2.806 635 1HB GLU 81 2HB GLU 81 14.873 3.680 -5.030 636 2HB GLU 81 1HB GLU 81 14.965 5.354 -5.563 637 1HG GLU 81 2HG GLU 81 16.852 4.648 -3.437 638 2HG GLU 81 1HG GLU 81 17.097 3.792 -4.959 639 H ALA 82 H ALA 82 14.486 7.643 -3.462 640 HA ALA 82 HA ALA 82 11.954 8.562 -3.357 641 1HB ALA 82 1HB ALA 82 12.690 10.586 -4.479 642 2HB ALA 82 2HB ALA 82 14.102 9.741 -5.112 643 3HB ALA 82 3HB ALA 82 13.935 10.001 -3.375 644 H LEU 83 H LEU 83 10.208 7.920 -4.425 645 HA LEU 83 HA LEU 83 10.386 7.608 -7.350 646 1HB LEU 83 2HB LEU 83 8.706 6.149 -5.322 647 2HB LEU 83 1HB LEU 83 8.300 6.155 -7.027 648 HG LEU 83 HG LEU 83 10.665 4.895 -5.673 649 1HD1 LEU 83 1HD1 LEU 83 9.786 2.916 -6.349 650 2HD1 LEU 83 2HD1 LEU 83 9.068 3.602 -7.806 651 3HD1 LEU 83 3HD1 LEU 83 8.291 3.846 -6.241 652 1HD2 LEU 83 1HD2 LEU 83 10.428 5.841 -8.492 653 2HD2 LEU 83 2HD2 LEU 83 11.271 4.329 -8.157 654 3HD2 LEU 83 3HD2 LEU 83 11.830 5.831 -7.421 655 H LYS 84 H LYS 84 9.008 8.744 -8.602 656 HA LYS 84 HA LYS 84 7.672 10.982 -7.523 657 1HB LYS 84 2HB LYS 84 6.807 11.300 -9.824 658 2HB LYS 84 1HB LYS 84 8.545 11.035 -9.776 659 1HG LYS 84 2HG LYS 84 7.067 8.560 -10.087 660 2HG LYS 84 1HG LYS 84 6.728 9.718 -11.375 661 1HD LYS 84 2HD LYS 84 9.539 9.691 -10.818 662 2HD LYS 84 1HD LYS 84 8.975 8.042 -11.098 663 1HE LYS 84 2HE LYS 84 8.000 10.125 -12.960 664 2HE LYS 84 1HE LYS 84 9.706 9.694 -13.074 665 1HZ LYS 84 1HZ LYS 84 8.163 8.385 -14.521 666 2HZ LYS 84 2HZ LYS 84 7.527 7.685 -13.119 667 3HZ LYS 84 3HZ LYS 84 9.154 7.454 -13.514 668 H ASP 85 H ASP 85 6.659 7.731 -8.118 669 HA ASP 85 HA ASP 85 3.955 7.910 -8.503 670 1HB ASP 85 2HB ASP 85 5.268 5.794 -8.389 671 2HB ASP 85 1HB ASP 85 5.301 5.948 -6.635 672 H LEU 86 H LEU 86 5.699 8.224 -5.433 673 HA LEU 86 HA LEU 86 3.189 8.774 -4.042 674 1HB LEU 86 2HB LEU 86 5.534 7.489 -3.291 675 2HB LEU 86 1HB LEU 86 5.610 9.028 -2.454 676 HG LEU 86 HG LEU 86 2.988 7.802 -2.194 677 1HD1 LEU 86 1HD1 LEU 86 4.545 5.781 -2.400 678 2HD1 LEU 86 2HD1 LEU 86 3.496 5.872 -0.986 679 3HD1 LEU 86 3HD1 LEU 86 5.200 6.295 -0.846 680 1HD2 LEU 86 1HD2 LEU 86 5.070 8.584 -0.157 681 2HD2 LEU 86 2HD2 LEU 86 3.359 8.284 0.148 682 3HD2 LEU 86 3HD2 LEU 86 3.850 9.663 -0.835 683 H GLU 87 H GLU 87 5.961 10.400 -5.316 684 HA GLU 87 HA GLU 87 4.814 12.953 -4.473 685 1HB GLU 87 2HB GLU 87 7.591 11.992 -3.860 686 2HB GLU 87 1HB GLU 87 7.261 13.709 -4.043 687 1HG GLU 87 2HG GLU 87 5.611 12.057 -2.184 688 2HG GLU 87 1HG GLU 87 7.207 12.624 -1.694 Start of MODEL 4 1 1H MET 1 1HT MET 1 17.853 5.483 3.577 2 2H MET 1 2HT MET 1 17.907 7.017 2.867 3 3H MET 1 3HT MET 1 16.441 6.405 3.448 4 HA MET 1 HA MET 1 17.281 6.436 5.706 5 1HB MET 1 2HB MET 1 19.716 6.380 4.486 6 2HB MET 1 1HB MET 1 19.619 8.072 4.954 7 1HG MET 1 2HG MET 1 18.960 5.999 6.978 8 2HG MET 1 1HG MET 1 20.650 6.261 6.549 9 1HE MET 1 1HE MET 1 19.851 6.494 9.394 10 2HE MET 1 2HE MET 1 18.216 7.134 9.221 11 3HE MET 1 3HE MET 1 19.453 8.085 10.044 12 H GLY 2 H GLY 2 15.520 7.769 5.935 13 1HA GLY 2 2HA GLY 2 14.778 9.886 6.672 14 2HA GLY 2 1HA GLY 2 16.097 10.633 5.783 15 H GLN 3 H GLN 3 14.284 8.238 4.116 16 HA GLN 3 HA GLN 3 12.329 10.050 3.024 17 1HB GLN 3 2HB GLN 3 14.829 10.023 1.809 18 2HB GLN 3 1HB GLN 3 13.854 8.955 0.809 19 1HG GLN 3 2HG GLN 3 12.151 10.771 0.662 20 2HG GLN 3 1HG GLN 3 13.293 11.829 1.491 21 1HE2 GLN 3 1HE2 GLN 3 15.475 11.968 0.454 22 2HE2 GLN 3 2HE2 GLN 3 15.525 12.046 -1.271 23 H VAL 4 H VAL 4 10.565 8.900 2.618 24 HA VAL 4 HA VAL 4 10.835 6.162 1.624 25 HB VAL 4 HB VAL 4 9.247 5.261 3.199 26 1HG1 VAL 4 1HG1 VAL 4 10.884 6.583 5.203 27 2HG1 VAL 4 2HG1 VAL 4 11.818 6.021 3.816 28 3HG1 VAL 4 3HG1 VAL 4 10.818 4.886 4.728 29 1HG2 VAL 4 1HG2 VAL 4 7.760 7.032 3.625 30 2HG2 VAL 4 2HG2 VAL 4 9.053 8.090 4.195 31 3HG2 VAL 4 3HG2 VAL 4 8.550 6.706 5.168 32 H VAL 5 H VAL 5 9.123 5.421 0.394 33 HA VAL 5 HA VAL 5 7.267 7.505 -0.510 34 HB VAL 5 HB VAL 5 6.757 5.931 -2.380 35 1HG1 VAL 5 1HG1 VAL 5 9.492 7.015 -1.901 36 2HG1 VAL 5 2HG1 VAL 5 8.261 7.529 -3.054 37 3HG1 VAL 5 3HG1 VAL 5 9.188 6.058 -3.351 38 1HG2 VAL 5 1HG2 VAL 5 8.122 3.989 -2.754 39 2HG2 VAL 5 2HG2 VAL 5 7.373 3.860 -1.166 40 3HG2 VAL 5 3HG2 VAL 5 9.070 4.322 -1.305 41 H GLN 6 H GLN 6 5.207 7.438 0.123 42 HA GLN 6 HA GLN 6 4.351 5.096 1.623 43 1HB GLN 6 2HB GLN 6 3.452 7.951 1.552 44 2HB GLN 6 1HB GLN 6 2.436 6.705 2.258 45 1HG GLN 6 2HG GLN 6 3.630 6.636 4.115 46 2HG GLN 6 1HG GLN 6 5.154 6.555 3.231 47 1HE2 GLN 6 1HE2 GLN 6 5.253 8.892 1.909 48 2HE2 GLN 6 2HE2 GLN 6 5.266 10.224 3.009 49 H PHE 7 H PHE 7 2.435 4.013 1.282 50 HA PHE 7 HA PHE 7 1.333 4.310 -1.409 51 1HB PHE 7 2HB PHE 7 1.995 2.075 -1.087 52 2HB PHE 7 1HB PHE 7 1.411 2.045 0.571 53 HD1 PHE 7 1HD PHE 7 -0.291 0.550 0.840 54 HD2 PHE 7 2HD PHE 7 -0.141 2.867 -2.724 55 HE1 PHE 7 1HE PHE 7 -2.403 -0.460 0.101 56 HE2 PHE 7 2HE PHE 7 -2.255 1.859 -3.472 57 HZ PHE 7 HZ PHE 7 -3.392 0.191 -2.060 58 H LYS 8 H LYS 8 -0.675 4.948 -1.754 59 HA LYS 8 HA LYS 8 -2.421 5.465 0.563 60 1HB LYS 8 2HB LYS 8 -1.403 7.443 -0.673 61 2HB LYS 8 1HB LYS 8 -2.404 6.985 -2.041 62 1HG LYS 8 2HG LYS 8 -4.374 7.170 -0.418 63 2HG LYS 8 1HG LYS 8 -3.246 8.029 0.633 64 1HD LYS 8 2HD LYS 8 -4.047 8.783 -2.175 65 2HD LYS 8 1HD LYS 8 -4.467 9.633 -0.687 66 1HE LYS 8 2HE LYS 8 -2.305 10.442 -0.393 67 2HE LYS 8 1HE LYS 8 -1.594 9.216 -1.441 68 1HZ LYS 8 1HZ LYS 8 -1.601 11.341 -2.538 69 2HZ LYS 8 2HZ LYS 8 -3.269 11.506 -2.314 70 3HZ LYS 8 3HZ LYS 8 -2.670 10.299 -3.336 71 H LEU 9 H LEU 9 -4.605 5.001 0.379 72 HA LEU 9 HA LEU 9 -5.355 2.864 -1.290 73 1HB LEU 9 2HB LEU 9 -6.379 3.411 0.907 74 2HB LEU 9 1HB LEU 9 -7.140 4.809 0.181 75 HG LEU 9 HG LEU 9 -8.669 2.877 0.487 76 1HD1 LEU 9 1HD1 LEU 9 -9.862 3.568 -1.256 77 2HD1 LEU 9 2HD1 LEU 9 -8.645 3.037 -2.416 78 3HD1 LEU 9 3HD1 LEU 9 -8.493 4.609 -1.632 79 1HD2 LEU 9 1HD2 LEU 9 -7.956 1.303 -1.740 80 2HD2 LEU 9 2HD2 LEU 9 -8.037 0.838 -0.037 81 3HD2 LEU 9 3HD2 LEU 9 -6.528 1.452 -0.715 82 H SER 10 H SER 10 -5.699 2.930 -3.411 83 HA SER 10 HA SER 10 -6.828 5.393 -4.571 84 1HB SER 10 2HB SER 10 -4.434 4.504 -5.217 85 2HB SER 10 1HB SER 10 -5.348 3.396 -6.240 86 HG SER 10 HG SER 10 -4.681 5.532 -7.142 87 H ASP 11 H ASP 11 -7.865 4.864 -6.804 88 HA ASP 11 HA ASP 11 -9.345 3.689 -8.112 89 1HB ASP 11 2HB ASP 11 -8.290 1.593 -6.794 90 2HB ASP 11 1HB ASP 11 -9.922 1.559 -6.133 91 H ILE 12 H ILE 12 -9.829 4.610 -4.853 92 HA ILE 12 HA ILE 12 -12.742 4.663 -5.246 93 HB ILE 12 HB ILE 12 -11.093 4.726 -2.716 94 1HG1 ILE 12 2HG1 ILE 12 -13.360 2.862 -3.300 95 2HG1 ILE 12 1HG1 ILE 12 -11.787 2.564 -4.036 96 1HG2 ILE 12 1HG2 ILE 12 -14.040 5.235 -3.063 97 2HG2 ILE 12 2HG2 ILE 12 -12.841 6.299 -2.331 98 3HG2 ILE 12 3HG2 ILE 12 -13.300 4.800 -1.522 99 1HD1 ILE 12 1HD1 ILE 12 -10.845 1.939 -2.083 100 2HD1 ILE 12 2HD1 ILE 12 -12.519 1.545 -1.689 101 3HD1 ILE 12 3HD1 ILE 12 -11.815 3.060 -1.127 102 H GLY 13 H GLY 13 -13.895 6.569 -4.522 103 1HA GLY 13 2HA GLY 13 -12.283 9.013 -4.891 104 2HA GLY 13 1HA GLY 13 -13.968 8.852 -5.365 105 H GLU 14 H GLU 14 -12.933 10.921 -3.729 106 HA GLU 14 HA GLU 14 -13.446 10.377 -0.979 107 1HB GLU 14 2HB GLU 14 -12.081 12.307 -2.165 108 2HB GLU 14 1HB GLU 14 -13.625 13.144 -2.084 109 1HG GLU 14 2HG GLU 14 -13.449 12.255 0.443 110 2HG GLU 14 1HG GLU 14 -11.738 12.431 0.058 111 H GLY 15 H GLY 15 -15.531 9.393 -0.989 112 1HA GLY 15 2HA GLY 15 -17.649 10.817 -0.167 113 2HA GLY 15 1HA GLY 15 -17.791 10.966 -1.911 114 H ILE 16 H ILE 16 -16.620 8.185 -2.190 115 HA ILE 16 HA ILE 16 -19.160 6.794 -1.754 116 HB ILE 16 HB ILE 16 -18.494 5.218 -3.422 117 1HG1 ILE 16 2HG1 ILE 16 -15.858 6.587 -3.867 118 2HG1 ILE 16 1HG1 ILE 16 -15.986 5.338 -2.634 119 1HG2 ILE 16 1HG2 ILE 16 -17.471 7.595 -4.803 120 2HG2 ILE 16 2HG2 ILE 16 -18.986 7.828 -3.932 121 3HG2 ILE 16 3HG2 ILE 16 -18.864 6.575 -5.167 122 1HD1 ILE 16 1HD1 ILE 16 -16.250 3.672 -4.152 123 2HD1 ILE 16 2HD1 ILE 16 -15.274 4.789 -5.106 124 3HD1 ILE 16 3HD1 ILE 16 -17.021 4.721 -5.341 125 H ARG 17 H ARG 17 -18.415 4.196 -1.797 126 HA ARG 17 HA ARG 17 -17.654 3.707 0.878 127 1HB ARG 17 2HB ARG 17 -17.725 1.729 -1.404 128 2HB ARG 17 1HB ARG 17 -17.818 1.361 0.312 129 1HG ARG 17 2HG ARG 17 -19.917 3.055 0.030 130 2HG ARG 17 1HG ARG 17 -19.900 2.256 -1.544 131 1HD ARG 17 2HD ARG 17 -19.780 0.740 1.051 132 2HD ARG 17 1HD ARG 17 -21.302 1.166 0.269 133 HE ARG 17 HE ARG 17 -19.729 -0.102 -1.636 134 1HH1 ARG 17 1HH1 ARG 17 -21.230 -0.863 1.411 135 2HH1 ARG 17 2HH1 ARG 17 -21.442 -2.540 1.037 136 1HH2 ARG 17 1HH2 ARG 17 -20.005 -2.312 -2.142 137 2HH2 ARG 17 2HH2 ARG 17 -20.746 -3.364 -0.983 138 H GLU 18 H GLU 18 -15.829 2.542 1.655 139 HA GLU 18 HA GLU 18 -13.386 3.149 0.158 140 1HB GLU 18 2HB GLU 18 -13.949 2.550 3.055 141 2HB GLU 18 1HB GLU 18 -12.312 2.533 2.411 142 1HG GLU 18 2HG GLU 18 -12.296 4.693 2.973 143 2HG GLU 18 1HG GLU 18 -13.224 4.916 1.488 144 H VAL 19 H VAL 19 -11.550 1.382 0.620 145 HA VAL 19 HA VAL 19 -12.874 -1.225 0.162 146 HB VAL 19 HB VAL 19 -11.887 -0.267 -1.905 147 1HG1 VAL 19 1HG1 VAL 19 -9.542 -0.112 -2.207 148 2HG1 VAL 19 2HG1 VAL 19 -9.226 -0.840 -0.631 149 3HG1 VAL 19 3HG1 VAL 19 -9.932 0.774 -0.732 150 1HG2 VAL 19 1HG2 VAL 19 -10.544 -2.807 -0.999 151 2HG2 VAL 19 2HG2 VAL 19 -10.908 -2.325 -2.656 152 3HG2 VAL 19 3HG2 VAL 19 -12.219 -2.702 -1.539 153 H THR 20 H THR 20 -11.900 -3.104 0.832 154 HA THR 20 HA THR 20 -10.094 -2.784 3.115 155 HB THR 20 HB THR 20 -11.199 -5.453 2.467 156 HG1 THR 20 1HG THR 20 -13.017 -4.211 2.004 157 1HG2 THR 20 1HG2 THR 20 -11.221 -3.879 5.041 158 2HG2 THR 20 2HG2 THR 20 -9.886 -4.908 4.521 159 3HG2 THR 20 3HG2 THR 20 -11.470 -5.613 4.841 160 H VAL 21 H VAL 21 -8.343 -4.297 3.419 161 HA VAL 21 HA VAL 21 -6.906 -4.761 0.956 162 HB VAL 21 HB VAL 21 -6.117 -5.526 3.771 163 1HG1 VAL 21 1HG1 VAL 21 -4.639 -6.750 2.569 164 2HG1 VAL 21 2HG1 VAL 21 -3.804 -5.201 2.462 165 3HG1 VAL 21 3HG1 VAL 21 -4.817 -5.750 1.127 166 1HG2 VAL 21 1HG2 VAL 21 -5.767 -3.011 2.187 167 2HG2 VAL 21 2HG2 VAL 21 -4.579 -3.473 3.406 168 3HG2 VAL 21 3HG2 VAL 21 -6.261 -3.213 3.868 169 H LYS 22 H LYS 22 -6.680 -6.637 -0.114 170 HA LYS 22 HA LYS 22 -8.039 -8.988 1.004 171 1HB LYS 22 2HB LYS 22 -8.747 -7.966 -1.233 172 2HB LYS 22 1HB LYS 22 -7.241 -8.606 -1.876 173 1HG LYS 22 2HG LYS 22 -8.776 -10.242 -2.420 174 2HG LYS 22 1HG LYS 22 -8.059 -10.863 -0.932 175 1HD LYS 22 2HD LYS 22 -9.955 -9.952 0.340 176 2HD LYS 22 1HD LYS 22 -10.674 -9.374 -1.164 177 1HE LYS 22 2HE LYS 22 -11.725 -11.444 -0.564 178 2HE LYS 22 1HE LYS 22 -10.711 -11.720 -1.980 179 1HZ LYS 22 1HZ LYS 22 -9.174 -12.179 0.317 180 2HZ LYS 22 2HZ LYS 22 -9.644 -13.290 -0.869 181 3HZ LYS 22 3HZ LYS 22 -10.625 -13.033 0.484 182 H GLU 23 H GLU 23 -4.972 -7.784 -0.038 183 HA GLU 23 HA GLU 23 -3.778 -10.389 0.602 184 1HB GLU 23 2HB GLU 23 -3.931 -9.976 -1.903 185 2HB GLU 23 1HB GLU 23 -2.778 -8.670 -1.664 186 1HG GLU 23 2HG GLU 23 -1.183 -10.173 -1.967 187 2HG GLU 23 1HG GLU 23 -1.611 -10.822 -0.385 188 H TRP 24 H TRP 24 -2.358 -10.190 2.182 189 HA TRP 24 HA TRP 24 -0.786 -7.710 2.382 190 1HB TRP 24 2HB TRP 24 -2.521 -8.988 4.405 191 2HB TRP 24 1HB TRP 24 -0.935 -8.492 4.985 192 HD1 TRP 24 HD TRP 24 -4.241 -7.199 4.933 193 HE1 TRP 24 1HE TRP 24 -4.308 -4.628 4.953 194 HE3 TRP 24 3HE TRP 24 0.598 -6.258 3.593 195 HZ2 TRP 24 2HZ TRP 24 -2.540 -2.482 4.467 196 HZ3 TRP 24 3HZ TRP 24 1.331 -3.919 3.396 197 HH2 TRP 24 HH TRP 24 -0.205 -2.070 3.822 198 H TYR 25 H TYR 25 1.294 -8.183 2.088 199 HA TYR 25 HA TYR 25 2.351 -10.631 3.322 200 1HB TYR 25 2HB TYR 25 2.436 -9.848 0.459 201 2HB TYR 25 1HB TYR 25 3.902 -10.554 1.135 202 HD1 TYR 25 1HD TYR 25 3.532 -12.774 2.506 203 HD2 TYR 25 2HD TYR 25 0.816 -11.259 -0.397 204 HE1 TYR 25 1HE TYR 25 2.575 -15.023 2.237 205 HE2 TYR 25 2HE TYR 25 -0.150 -13.504 -0.674 206 HH TYR 25 HH TYR 25 0.262 -15.750 -0.273 207 H VAL 26 H VAL 26 2.492 -8.059 4.388 208 HA VAL 26 HA VAL 26 5.345 -7.788 4.652 209 HB VAL 26 HB VAL 26 5.545 -5.479 4.029 210 1HG1 VAL 26 1HG1 VAL 26 5.219 -5.600 1.639 211 2HG1 VAL 26 2HG1 VAL 26 4.087 -6.936 1.830 212 3HG1 VAL 26 3HG1 VAL 26 5.788 -7.155 2.244 213 1HG2 VAL 26 1HG2 VAL 26 3.823 -4.069 3.989 214 2HG2 VAL 26 2HG2 VAL 26 2.753 -5.410 4.393 215 3HG2 VAL 26 3HG2 VAL 26 3.049 -4.996 2.705 216 H LYS 27 H LYS 27 5.942 -6.409 6.452 217 HA LYS 27 HA LYS 27 3.722 -5.602 8.187 218 1HB LYS 27 2HB LYS 27 5.918 -7.528 8.913 219 2HB LYS 27 1HB LYS 27 5.015 -6.638 10.131 220 1HG LYS 27 2HG LYS 27 3.498 -8.178 8.092 221 2HG LYS 27 1HG LYS 27 4.308 -9.058 9.390 222 1HD LYS 27 2HD LYS 27 2.887 -8.289 10.973 223 2HD LYS 27 1HD LYS 27 2.741 -6.700 10.218 224 1HE LYS 27 2HE LYS 27 0.918 -7.292 9.046 225 2HE LYS 27 1HE LYS 27 1.565 -8.887 8.664 226 1HZ LYS 27 1HZ LYS 27 0.921 -9.656 10.843 227 2HZ LYS 27 2HZ LYS 27 -0.424 -8.996 10.059 228 3HZ LYS 27 3HZ LYS 27 0.364 -8.116 11.270 229 H GLU 28 H GLU 28 4.476 -4.329 10.083 230 HA GLU 28 HA GLU 28 5.970 -2.117 9.312 231 1HB GLU 28 2HB GLU 28 5.798 -2.959 12.194 232 2HB GLU 28 1HB GLU 28 5.748 -1.339 11.517 233 1HG GLU 28 2HG GLU 28 3.535 -2.154 10.427 234 2HG GLU 28 1HG GLU 28 3.590 -3.385 11.688 235 H GLY 29 H GLY 29 8.101 -1.604 9.323 236 1HA GLY 29 2HA GLY 29 10.369 -1.785 9.724 237 2HA GLY 29 1HA GLY 29 10.004 -2.966 10.973 238 H ASP 30 H ASP 30 8.482 -3.944 8.185 239 HA ASP 30 HA ASP 30 10.563 -5.930 7.696 240 1HB ASP 30 2HB ASP 30 7.921 -6.275 8.035 241 2HB ASP 30 1HB ASP 30 7.957 -6.088 6.284 242 H THR 31 H THR 31 11.209 -6.500 5.556 243 HA THR 31 HA THR 31 11.221 -4.183 3.762 244 HB THR 31 HB THR 31 12.939 -6.641 3.468 245 HG1 THR 31 1HG THR 31 13.989 -5.994 5.181 246 1HG2 THR 31 1HG2 THR 31 12.670 -4.938 1.600 247 2HG2 THR 31 2HG2 THR 31 14.322 -5.268 2.125 248 3HG2 THR 31 3HG2 THR 31 13.506 -3.798 2.655 249 H VAL 32 H VAL 32 10.772 -4.369 1.572 250 HA VAL 32 HA VAL 32 9.066 -6.641 0.844 251 HB VAL 32 HB VAL 32 8.698 -4.689 -1.110 252 1HG1 VAL 32 1HG1 VAL 32 7.198 -6.116 0.819 253 2HG1 VAL 32 2HG1 VAL 32 6.638 -5.349 -0.668 254 3HG1 VAL 32 3HG1 VAL 32 6.663 -4.437 0.841 255 1HG2 VAL 32 1HG2 VAL 32 8.917 -3.387 1.593 256 2HG2 VAL 32 2HG2 VAL 32 7.984 -2.702 0.264 257 3HG2 VAL 32 3HG2 VAL 32 9.724 -2.926 0.095 258 H SER 33 H SER 33 9.092 -7.240 -1.482 259 HA SER 33 HA SER 33 11.692 -6.781 -2.760 260 1HB SER 33 2HB SER 33 12.254 -8.996 -2.916 261 2HB SER 33 1HB SER 33 11.328 -9.067 -1.417 262 HG SER 33 HG SER 33 10.821 -10.621 -3.208 263 H GLN 34 H GLN 34 11.686 -7.584 -5.064 264 HA GLN 34 HA GLN 34 9.702 -6.330 -6.533 265 1HB GLN 34 2HB GLN 34 12.022 -7.100 -7.288 266 2HB GLN 34 1HB GLN 34 11.288 -8.671 -7.574 267 1HG GLN 34 2HG GLN 34 9.602 -6.872 -8.848 268 2HG GLN 34 1HG GLN 34 11.229 -6.282 -9.188 269 1HE2 GLN 34 1HE2 GLN 34 9.251 -9.213 -9.238 270 2HE2 GLN 34 2HE2 GLN 34 10.025 -9.924 -10.610 271 H PHE 35 H PHE 35 9.952 -9.700 -5.527 272 HA PHE 35 HA PHE 35 7.478 -10.378 -6.900 273 1HB PHE 35 2HB PHE 35 9.616 -11.864 -6.657 274 2HB PHE 35 1HB PHE 35 8.944 -12.250 -5.076 275 HD1 PHE 35 1HD PHE 35 8.442 -12.516 -8.701 276 HD2 PHE 35 2HD PHE 35 7.011 -13.636 -4.853 277 HE1 PHE 35 1HE PHE 35 6.995 -14.215 -9.738 278 HE2 PHE 35 2HE PHE 35 5.562 -15.337 -5.882 279 HZ PHE 35 HZ PHE 35 5.553 -15.628 -8.328 280 H ASP 36 H ASP 36 8.530 -9.417 -3.769 281 HA ASP 36 HA ASP 36 6.135 -10.471 -2.479 282 1HB ASP 36 2HB ASP 36 8.763 -9.915 -1.601 283 2HB ASP 36 1HB ASP 36 7.702 -8.797 -0.749 284 H SER 37 H SER 37 4.449 -9.256 -3.237 285 HA SER 37 HA SER 37 4.493 -6.436 -3.508 286 1HB SER 37 2HB SER 37 2.194 -8.390 -3.282 287 2HB SER 37 1HB SER 37 1.990 -6.674 -3.635 288 HG SER 37 HG SER 37 2.316 -7.228 -5.628 289 H ILE 38 H ILE 38 3.166 -4.906 -2.252 290 HA ILE 38 HA ILE 38 3.597 -5.338 0.587 291 HB ILE 38 HB ILE 38 2.430 -2.907 -0.768 292 1HG1 ILE 38 2HG1 ILE 38 5.232 -3.863 -0.363 293 2HG1 ILE 38 1HG1 ILE 38 4.537 -2.988 -1.718 294 1HG2 ILE 38 1HG2 ILE 38 2.055 -3.280 1.721 295 2HG2 ILE 38 2HG2 ILE 38 2.815 -1.758 1.261 296 3HG2 ILE 38 3HG2 ILE 38 3.795 -3.071 1.912 297 1HD1 ILE 38 1HD1 ILE 38 5.210 -1.801 0.963 298 2HD1 ILE 38 2HD1 ILE 38 4.582 -0.930 -0.436 299 3HD1 ILE 38 3HD1 ILE 38 6.186 -1.663 -0.500 300 H CYS 39 H CYS 39 0.791 -3.890 -1.071 301 HA CYS 39 HA CYS 39 -0.960 -5.758 0.338 302 1HB CYS 39 2HB CYS 39 -2.455 -3.546 0.657 303 2HB CYS 39 1HB CYS 39 -1.348 -4.142 1.885 304 HG CYS 39 HG CYS 39 -0.067 -1.954 -0.342 305 H GLU 40 H GLU 40 -3.029 -6.012 -0.592 306 HA GLU 40 HA GLU 40 -3.442 -4.710 -3.187 307 1HB GLU 40 2HB GLU 40 -3.942 -7.656 -2.846 308 2HB GLU 40 1HB GLU 40 -3.831 -6.729 -4.336 309 1HG GLU 40 2HG GLU 40 -1.485 -6.536 -4.155 310 2HG GLU 40 1HG GLU 40 -1.494 -7.120 -2.491 311 H VAL 41 H VAL 41 -5.449 -3.968 -3.417 312 HA VAL 41 HA VAL 41 -7.517 -4.981 -1.578 313 HB VAL 41 HB VAL 41 -8.656 -2.814 -1.886 314 1HG1 VAL 41 1HG1 VAL 41 -6.385 -3.358 -0.365 315 2HG1 VAL 41 2HG1 VAL 41 -7.563 -2.073 -0.096 316 3HG1 VAL 41 3HG1 VAL 41 -6.109 -1.753 -1.041 317 1HG2 VAL 41 1HG2 VAL 41 -6.168 -2.001 -3.387 318 2HG2 VAL 41 2HG2 VAL 41 -7.538 -0.966 -2.984 319 3HG2 VAL 41 3HG2 VAL 41 -7.745 -2.302 -4.118 320 H GLN 42 H GLN 42 -9.598 -5.387 -2.356 321 HA GLN 42 HA GLN 42 -9.950 -5.312 -5.270 322 1HB GLN 42 2HB GLN 42 -10.465 -7.687 -3.476 323 2HB GLN 42 1HB GLN 42 -11.036 -7.567 -5.134 324 1HG GLN 42 2HG GLN 42 -8.481 -7.104 -5.609 325 2HG GLN 42 1HG GLN 42 -8.289 -7.988 -4.095 326 1HE2 GLN 42 1HE2 GLN 42 -7.128 -9.348 -5.802 327 2HE2 GLN 42 2HE2 GLN 42 -8.063 -10.610 -6.523 328 H SER 43 H SER 43 -11.800 -4.387 -5.836 329 HA SER 43 HA SER 43 -14.013 -4.362 -3.891 330 1HB SER 43 2HB SER 43 -12.994 -2.149 -5.667 331 2HB SER 43 1HB SER 43 -14.615 -2.119 -4.972 332 HG SER 43 HG SER 43 -13.697 -2.153 -2.922 333 H ASP 44 H ASP 44 -16.155 -4.278 -4.776 334 HA ASP 44 HA ASP 44 -16.754 -6.112 -6.700 335 1HB ASP 44 2HB ASP 44 -18.271 -3.662 -5.819 336 2HB ASP 44 1HB ASP 44 -18.941 -4.795 -6.989 337 H LYS 45 H LYS 45 -15.999 -2.717 -7.179 338 HA LYS 45 HA LYS 45 -16.727 -2.585 -9.912 339 1HB LYS 45 2HB LYS 45 -16.431 -0.591 -8.494 340 2HB LYS 45 1HB LYS 45 -14.709 -0.928 -8.387 341 1HG LYS 45 2HG LYS 45 -15.339 -0.872 -11.125 342 2HG LYS 45 1HG LYS 45 -16.145 0.514 -10.387 343 1HD LYS 45 2HD LYS 45 -13.279 -0.111 -9.771 344 2HD LYS 45 1HD LYS 45 -13.718 0.792 -11.223 345 1HE LYS 45 2HE LYS 45 -13.254 2.414 -9.575 346 2HE LYS 45 1HE LYS 45 -15.011 2.346 -9.702 347 1HZ LYS 45 1HZ LYS 45 -14.151 2.403 -7.391 348 2HZ LYS 45 2HZ LYS 45 -13.450 0.885 -7.645 349 3HZ LYS 45 3HZ LYS 45 -15.130 1.062 -7.718 350 H ALA 46 H ALA 46 -13.439 -2.496 -8.537 351 HA ALA 46 HA ALA 46 -12.536 -4.427 -10.516 352 1HB ALA 46 1HB ALA 46 -11.865 -1.546 -10.595 353 2HB ALA 46 2HB ALA 46 -11.992 -2.719 -11.906 354 3HB ALA 46 3HB ALA 46 -10.550 -2.682 -10.891 355 H SER 47 H SER 47 -10.364 -5.214 -10.093 356 HA SER 47 HA SER 47 -9.738 -5.081 -7.233 357 1HB SER 47 2HB SER 47 -8.137 -7.051 -8.435 358 2HB SER 47 1HB SER 47 -9.585 -7.306 -7.459 359 HG SER 47 HG SER 47 -9.676 -8.270 -9.574 360 H VAL 48 H VAL 48 -7.769 -4.433 -6.467 361 HA VAL 48 HA VAL 48 -5.819 -3.490 -8.466 362 HB VAL 48 HB VAL 48 -6.151 -2.159 -5.794 363 1HG1 VAL 48 1HG1 VAL 48 -4.733 -1.603 -8.345 364 2HG1 VAL 48 2HG1 VAL 48 -4.196 -1.383 -6.680 365 3HG1 VAL 48 3HG1 VAL 48 -5.321 -0.234 -7.402 366 1HG2 VAL 48 1HG2 VAL 48 -8.173 -1.433 -6.404 367 2HG2 VAL 48 2HG2 VAL 48 -7.987 -2.051 -8.045 368 3HG2 VAL 48 3HG2 VAL 48 -7.341 -0.466 -7.622 369 H THR 49 H THR 49 -3.703 -3.928 -8.118 370 HA THR 49 HA THR 49 -2.972 -5.286 -5.610 371 HB THR 49 HB THR 49 -1.568 -6.849 -6.809 372 HG1 THR 49 1HG THR 49 -1.512 -6.825 -9.094 373 1HG2 THR 49 1HG2 THR 49 -3.780 -7.394 -8.533 374 2HG2 THR 49 2HG2 THR 49 -4.391 -6.784 -6.995 375 3HG2 THR 49 3HG2 THR 49 -3.330 -8.192 -7.027 376 H ILE 50 H ILE 50 -1.227 -4.430 -4.630 377 HA ILE 50 HA ILE 50 0.309 -2.430 -6.125 378 HB ILE 50 HB ILE 50 0.323 -2.912 -3.150 379 1HG1 ILE 50 2HG1 ILE 50 -1.913 -2.273 -3.786 380 2HG1 ILE 50 1HG1 ILE 50 -1.122 -0.873 -3.068 381 1HG2 ILE 50 1HG2 ILE 50 0.965 -0.264 -3.765 382 2HG2 ILE 50 2HG2 ILE 50 1.868 -1.248 -4.916 383 3HG2 ILE 50 3HG2 ILE 50 2.056 -1.522 -3.183 384 1HD1 ILE 50 1HD1 ILE 50 -0.648 -0.045 -5.356 385 2HD1 ILE 50 2HD1 ILE 50 -2.366 -0.165 -4.978 386 3HD1 ILE 50 3HD1 ILE 50 -1.598 -1.388 -5.991 387 H THR 51 H THR 51 1.992 -3.290 -7.123 388 HA THR 51 HA THR 51 3.535 -5.424 -5.887 389 HB THR 51 HB THR 51 4.708 -4.404 -8.321 390 HG1 THR 51 1HG THR 51 2.796 -5.113 -9.613 391 1HG2 THR 51 1HG2 THR 51 4.574 -6.672 -9.008 392 2HG2 THR 51 2HG2 THR 51 3.255 -7.009 -7.887 393 3HG2 THR 51 3HG2 THR 51 4.880 -6.704 -7.272 394 H SER 52 H SER 52 5.973 -5.207 -6.011 395 HA SER 52 HA SER 52 6.687 -2.629 -4.839 396 1HB SER 52 2HB SER 52 8.387 -5.124 -4.924 397 2HB SER 52 1HB SER 52 8.565 -3.731 -3.857 398 HG SER 52 HG SER 52 7.293 -5.891 -3.292 399 H ARG 53 H ARG 53 8.038 -4.941 -7.201 400 HA ARG 53 HA ARG 53 9.157 -4.587 -9.159 401 1HB ARG 53 2HB ARG 53 8.725 -2.696 -10.331 402 2HB ARG 53 1HB ARG 53 7.615 -2.365 -9.022 403 1HG ARG 53 2HG ARG 53 8.654 -0.377 -8.997 404 2HG ARG 53 1HG ARG 53 9.827 -1.235 -8.006 405 1HD ARG 53 2HD ARG 53 10.165 0.007 -10.584 406 2HD ARG 53 1HD ARG 53 11.375 -0.595 -9.465 407 HE ARG 53 HE ARG 53 11.434 -2.616 -10.625 408 1HH1 ARG 53 1HH1 ARG 53 9.005 -0.494 -11.984 409 2HH1 ARG 53 2HH1 ARG 53 8.891 -1.379 -13.464 410 1HH2 ARG 53 1HH2 ARG 53 11.263 -3.779 -12.569 411 2HH2 ARG 53 2HH2 ARG 53 10.164 -3.243 -13.796 412 H TYR 54 H TYR 54 10.155 -3.881 -6.149 413 HA TYR 54 HA TYR 54 12.881 -4.188 -6.660 414 1HB TYR 54 2HB TYR 54 12.019 -1.524 -7.005 415 2HB TYR 54 1HB TYR 54 12.813 -1.572 -5.434 416 HD1 TYR 54 1HD TYR 54 13.266 -1.883 -9.044 417 HD2 TYR 54 2HD TYR 54 15.192 -2.118 -5.257 418 HE1 TYR 54 1HE TYR 54 15.456 -1.790 -10.159 419 HE2 TYR 54 2HE TYR 54 17.388 -2.024 -6.361 420 HH TYR 54 HH TYR 54 17.675 -1.828 -9.897 421 H ASP 55 H ASP 55 14.132 -3.659 -4.488 422 HA ASP 55 HA ASP 55 12.393 -4.695 -2.382 423 1HB ASP 55 2HB ASP 55 15.367 -4.417 -2.097 424 2HB ASP 55 1HB ASP 55 14.279 -5.577 -1.338 425 H GLY 56 H GLY 56 11.628 -3.438 -0.864 426 1HA GLY 56 2HA GLY 56 13.135 -1.013 -0.124 427 2HA GLY 56 1HA GLY 56 11.408 -0.938 -0.441 428 H VAL 57 H VAL 57 12.406 -0.065 1.975 429 HA VAL 57 HA VAL 57 11.816 -2.255 3.843 430 HB VAL 57 HB VAL 57 13.033 0.428 4.492 431 1HG1 VAL 57 1HG1 VAL 57 12.587 -0.181 6.585 432 2HG1 VAL 57 2HG1 VAL 57 13.777 -1.467 6.381 433 3HG1 VAL 57 3HG1 VAL 57 12.070 -1.789 6.077 434 1HG2 VAL 57 1HG2 VAL 57 14.293 -2.199 3.770 435 2HG2 VAL 57 2HG2 VAL 57 15.135 -1.014 4.769 436 3HG2 VAL 57 3HG2 VAL 57 14.639 -0.592 3.130 437 H ILE 58 H ILE 58 9.929 -2.322 4.824 438 HA ILE 58 HA ILE 58 8.207 0.057 4.847 439 HB ILE 58 HB ILE 58 7.394 -2.753 5.596 440 1HG1 ILE 58 2HG1 ILE 58 7.177 -1.451 2.877 441 2HG1 ILE 58 1HG1 ILE 58 8.392 -2.651 3.305 442 1HG2 ILE 58 1HG2 ILE 58 5.200 -1.655 4.556 443 2HG2 ILE 58 2HG2 ILE 58 5.996 -0.183 5.117 444 3HG2 ILE 58 3HG2 ILE 58 5.629 -1.476 6.259 445 1HD1 ILE 58 1HD1 ILE 58 6.975 -4.336 3.015 446 2HD1 ILE 58 2HD1 ILE 58 5.952 -3.163 2.187 447 3HD1 ILE 58 3HD1 ILE 58 5.683 -3.518 3.893 448 H LYS 59 H LYS 59 7.880 1.143 6.683 449 HA LYS 59 HA LYS 59 9.091 0.056 9.108 450 1HB LYS 59 2HB LYS 59 9.743 2.299 8.221 451 2HB LYS 59 1HB LYS 59 8.133 2.871 8.629 452 1HG LYS 59 2HG LYS 59 8.505 2.550 10.944 453 2HG LYS 59 1HG LYS 59 9.996 1.653 10.644 454 1HD LYS 59 2HD LYS 59 10.878 3.769 9.556 455 2HD LYS 59 1HD LYS 59 9.479 4.589 10.250 456 1HE LYS 59 2HE LYS 59 10.848 2.955 12.208 457 2HE LYS 59 1HE LYS 59 11.931 4.141 11.480 458 1HZ LYS 59 1HZ LYS 59 10.608 5.898 12.203 459 2HZ LYS 59 2HZ LYS 59 10.620 4.842 13.524 460 3HZ LYS 59 3HZ LYS 59 9.269 4.910 12.508 461 H LYS 60 H LYS 60 5.930 1.354 8.057 462 HA LYS 60 HA LYS 60 4.784 -0.004 10.361 463 1HB LYS 60 2HB LYS 60 3.799 1.816 11.389 464 2HB LYS 60 1HB LYS 60 5.375 2.440 10.939 465 1HG LYS 60 2HG LYS 60 2.827 2.897 9.399 466 2HG LYS 60 1HG LYS 60 3.554 4.038 10.531 467 1HD LYS 60 2HD LYS 60 4.737 3.039 7.943 468 2HD LYS 60 1HD LYS 60 4.150 4.667 8.286 469 1HE LYS 60 2HE LYS 60 6.484 3.311 9.629 470 2HE LYS 60 1HE LYS 60 6.592 4.547 8.379 471 1HZ LYS 60 1HZ LYS 60 6.905 5.526 10.539 472 2HZ LYS 60 2HZ LYS 60 5.437 4.894 11.093 473 3HZ LYS 60 3HZ LYS 60 5.445 6.080 9.887 474 H LEU 61 H LEU 61 2.616 -0.458 10.260 475 HA LEU 61 HA LEU 61 1.197 0.166 7.772 476 1HB LEU 61 2HB LEU 61 1.575 -2.576 8.976 477 2HB LEU 61 1HB LEU 61 0.363 -2.213 7.762 478 HG LEU 61 HG LEU 61 2.958 -1.327 6.861 479 1HD1 LEU 61 1HD1 LEU 61 3.007 -4.252 6.955 480 2HD1 LEU 61 2HD1 LEU 61 3.267 -3.461 8.509 481 3HD1 LEU 61 3HD1 LEU 61 4.313 -3.083 7.141 482 1HD2 LEU 61 1HD2 LEU 61 1.118 -1.694 5.370 483 2HD2 LEU 61 2HD2 LEU 61 0.968 -3.372 5.894 484 3HD2 LEU 61 3HD2 LEU 61 2.390 -2.854 4.988 485 H TYR 62 H TYR 62 -1.041 0.386 8.027 486 HA TYR 62 HA TYR 62 -1.978 0.181 10.814 487 1HB TYR 62 2HB TYR 62 -1.641 2.510 9.831 488 2HB TYR 62 1HB TYR 62 -3.034 2.164 8.811 489 HD1 TYR 62 1HD TYR 62 -2.407 1.339 12.392 490 HD2 TYR 62 2HD TYR 62 -4.752 3.523 9.594 491 HE1 TYR 62 1HE TYR 62 -3.901 2.052 14.210 492 HE2 TYR 62 2HE TYR 62 -6.253 4.242 11.404 493 HH TYR 62 HH TYR 62 -6.421 4.422 13.698 494 H TYR 63 H TYR 63 -2.937 -0.165 7.422 495 HA TYR 63 HA TYR 63 -5.505 -1.276 8.271 496 1HB TYR 63 2HB TYR 63 -4.525 -0.731 5.466 497 2HB TYR 63 1HB TYR 63 -6.175 -1.112 5.951 498 HD1 TYR 63 1HD TYR 63 -3.490 1.420 6.448 499 HD2 TYR 63 2HD TYR 63 -7.666 0.612 6.448 500 HE1 TYR 63 1HE TYR 63 -3.946 3.819 6.736 501 HE2 TYR 63 2HE TYR 63 -8.135 3.008 6.736 502 HH TYR 63 HH TYR 63 -6.770 5.042 7.756 503 H ASN 64 H ASN 64 -6.070 -3.360 8.103 504 HA ASN 64 HA ASN 64 -4.062 -5.218 7.014 505 1HB ASN 64 2HB ASN 64 -6.111 -5.697 9.187 506 2HB ASN 64 1HB ASN 64 -4.994 -6.907 8.559 507 1HD2 ASN 64 1HD2 ASN 64 -3.289 -7.222 9.774 508 2HD2 ASN 64 2HD2 ASN 64 -2.526 -6.057 10.796 509 H LEU 65 H LEU 65 -5.370 -7.488 6.788 510 HA LEU 65 HA LEU 65 -6.724 -7.367 4.393 511 1HB LEU 65 2HB LEU 65 -6.404 -9.389 6.547 512 2HB LEU 65 1HB LEU 65 -7.597 -9.697 5.306 513 HG LEU 65 HG LEU 65 -4.906 -8.924 4.361 514 1HD1 LEU 65 1HD1 LEU 65 -5.433 -11.318 6.029 515 2HD1 LEU 65 2HD1 LEU 65 -3.963 -10.361 5.849 516 3HD1 LEU 65 3HD1 LEU 65 -4.420 -11.518 4.599 517 1HD2 LEU 65 1HD2 LEU 65 -6.703 -9.463 2.806 518 2HD2 LEU 65 2HD2 LEU 65 -6.882 -11.053 3.548 519 3HD2 LEU 65 3HD2 LEU 65 -5.397 -10.643 2.689 520 H ASP 66 H ASP 66 -7.951 -6.849 7.587 521 HA ASP 66 HA ASP 66 -10.712 -7.173 6.661 522 1HB ASP 66 2HB ASP 66 -9.584 -6.847 9.444 523 2HB ASP 66 1HB ASP 66 -11.299 -6.994 9.075 524 H ASP 67 H ASP 67 -8.446 -4.718 7.634 525 HA ASP 67 HA ASP 67 -10.455 -2.725 8.123 526 1HB ASP 67 2HB ASP 67 -7.533 -2.205 7.613 527 2HB ASP 67 1HB ASP 67 -8.670 -1.210 8.515 528 H ILE 68 H ILE 68 -10.803 -0.831 6.960 529 HA ILE 68 HA ILE 68 -10.454 -1.106 4.044 530 HB ILE 68 HB ILE 68 -12.275 0.946 5.199 531 1HG1 ILE 68 2HG1 ILE 68 -12.775 -1.112 6.506 532 2HG1 ILE 68 1HG1 ILE 68 -14.114 -0.605 5.479 533 1HG2 ILE 68 1HG2 ILE 68 -12.754 -0.899 2.886 534 2HG2 ILE 68 2HG2 ILE 68 -11.761 0.555 2.736 535 3HG2 ILE 68 3HG2 ILE 68 -13.460 0.684 3.198 536 1HD1 ILE 68 1HD1 ILE 68 -12.293 -2.499 4.217 537 2HD1 ILE 68 2HD1 ILE 68 -14.056 -2.486 4.282 538 3HD1 ILE 68 3HD1 ILE 68 -13.126 -3.129 5.637 539 H ALA 69 H ALA 69 -9.451 0.433 2.893 540 HA ALA 69 HA ALA 69 -8.185 2.576 4.430 541 1HB ALA 69 1HB ALA 69 -7.510 1.694 1.639 542 2HB ALA 69 2HB ALA 69 -6.764 1.020 3.081 543 3HB ALA 69 3HB ALA 69 -6.558 2.728 2.698 544 H TYR 70 H TYR 70 -8.265 4.704 3.733 545 HA TYR 70 HA TYR 70 -10.522 5.341 1.955 546 1HB TYR 70 2HB TYR 70 -9.425 7.147 4.110 547 2HB TYR 70 1HB TYR 70 -10.965 7.274 3.271 548 HD1 TYR 70 1HD TYR 70 -12.848 6.632 4.430 549 HD2 TYR 70 2HD TYR 70 -9.131 4.822 5.436 550 HE1 TYR 70 1HE TYR 70 -13.946 5.393 6.248 551 HE2 TYR 70 2HE TYR 70 -10.220 3.576 7.250 552 HH TYR 70 HH TYR 70 -13.169 2.918 7.521 553 H VAL 71 H VAL 71 -10.309 7.065 0.502 554 HA VAL 71 HA VAL 71 -7.607 7.498 -0.425 555 HB VAL 71 HB VAL 71 -9.949 8.928 -1.617 556 1HG1 VAL 71 1HG1 VAL 71 -7.776 7.488 -3.080 557 2HG1 VAL 71 2HG1 VAL 71 -7.463 9.057 -2.338 558 3HG1 VAL 71 3HG1 VAL 71 -8.714 8.898 -3.571 559 1HG2 VAL 71 1HG2 VAL 71 -9.759 6.050 -1.324 560 2HG2 VAL 71 2HG2 VAL 71 -9.804 6.540 -3.017 561 3HG2 VAL 71 3HG2 VAL 71 -11.091 7.038 -1.921 562 H GLY 72 H GLY 72 -6.461 9.397 -0.383 563 1HA GLY 72 2HA GLY 72 -6.607 11.876 -0.247 564 2HA GLY 72 1HA GLY 72 -7.717 11.630 1.091 565 H LYS 73 H LYS 73 -5.858 9.301 1.911 566 HA LYS 73 HA LYS 73 -3.554 10.817 2.858 567 1HB LYS 73 2HB LYS 73 -5.145 11.199 4.621 568 2HB LYS 73 1HB LYS 73 -5.562 9.491 4.681 569 1HG LYS 73 2HG LYS 73 -3.739 8.945 5.900 570 2HG LYS 73 1HG LYS 73 -2.727 10.178 5.144 571 1HD LYS 73 2HD LYS 73 -4.884 11.337 6.701 572 2HD LYS 73 1HD LYS 73 -3.854 10.287 7.675 573 1HE LYS 73 2HE LYS 73 -2.496 12.051 7.853 574 2HE LYS 73 1HE LYS 73 -2.037 11.707 6.186 575 1HZ LYS 73 1HZ LYS 73 -3.335 13.975 7.201 576 2HZ LYS 73 2HZ LYS 73 -4.400 13.198 6.142 577 3HZ LYS 73 3HZ LYS 73 -2.864 13.662 5.606 578 HA PRO 74 HA PRO 74 -1.571 6.973 1.792 579 1HB PRO 74 2HB PRO 74 0.450 7.852 3.783 580 2HB PRO 74 1HB PRO 74 0.658 7.391 2.091 581 1HG PRO 74 2HG PRO 74 0.798 9.948 2.846 582 2HG PRO 74 1HG PRO 74 0.059 9.479 1.302 583 1HD PRO 74 2HD PRO 74 -1.245 10.308 3.859 584 2HD PRO 74 1HD PRO 74 -1.723 10.650 2.184 585 H LEU 75 H LEU 75 -0.792 4.996 2.883 586 HA LEU 75 HA LEU 75 -1.916 4.749 5.592 587 1HB LEU 75 2HB LEU 75 -2.702 2.540 5.075 588 2HB LEU 75 1HB LEU 75 -3.353 3.684 3.918 589 HG LEU 75 HG LEU 75 -1.023 2.729 2.718 590 1HD1 LEU 75 1HD1 LEU 75 -1.588 0.896 4.660 591 2HD1 LEU 75 2HD1 LEU 75 -0.722 0.559 3.162 592 3HD1 LEU 75 3HD1 LEU 75 -2.453 0.243 3.269 593 1HD2 LEU 75 1HD2 LEU 75 -3.952 2.402 2.359 594 2HD2 LEU 75 2HD2 LEU 75 -2.883 1.353 1.430 595 3HD2 LEU 75 3HD2 LEU 75 -2.749 3.104 1.278 596 H VAL 76 H VAL 76 0.591 3.602 3.344 597 HA VAL 76 HA VAL 76 2.103 2.760 5.733 598 HB VAL 76 HB VAL 76 1.214 0.729 4.689 599 1HG1 VAL 76 1HG1 VAL 76 2.021 0.050 2.462 600 2HG1 VAL 76 2HG1 VAL 76 2.758 1.640 2.265 601 3HG1 VAL 76 3HG1 VAL 76 1.006 1.491 2.399 602 1HG2 VAL 76 1HG2 VAL 76 3.091 -0.388 5.179 603 2HG2 VAL 76 2HG2 VAL 76 3.788 1.198 5.498 604 3HG2 VAL 76 3HG2 VAL 76 4.018 0.435 3.927 605 H ASP 77 H ASP 77 4.302 3.053 5.693 606 HA ASP 77 HA ASP 77 5.328 4.629 3.428 607 1HB ASP 77 2HB ASP 77 6.574 4.540 6.171 608 2HB ASP 77 1HB ASP 77 6.820 5.726 4.900 609 H ILE 78 H ILE 78 7.039 3.916 2.299 610 HA ILE 78 HA ILE 78 8.630 1.694 3.363 611 HB ILE 78 HB ILE 78 7.751 1.612 0.503 612 1HG1 ILE 78 2HG1 ILE 78 6.084 -0.197 1.583 613 2HG1 ILE 78 1HG1 ILE 78 6.131 0.960 2.907 614 1HG2 ILE 78 1HG2 ILE 78 8.059 -0.875 0.992 615 2HG2 ILE 78 2HG2 ILE 78 8.827 -0.358 2.493 616 3HG2 ILE 78 3HG2 ILE 78 9.507 0.131 0.941 617 1HD1 ILE 78 1HD1 ILE 78 4.719 2.285 1.855 618 2HD1 ILE 78 2HD1 ILE 78 4.565 1.060 0.595 619 3HD1 ILE 78 3HD1 ILE 78 5.763 2.345 0.434 620 H GLU 79 H GLU 79 10.737 1.496 2.452 621 HA GLU 79 HA GLU 79 11.652 3.974 1.171 622 1HB GLU 79 2HB GLU 79 13.041 1.809 2.733 623 2HB GLU 79 1HB GLU 79 13.956 2.927 1.730 624 1HG GLU 79 2HG GLU 79 13.097 4.804 3.008 625 2HG GLU 79 1HG GLU 79 12.131 3.704 3.990 626 H THR 80 H THR 80 11.741 3.915 -0.965 627 HA THR 80 HA THR 80 13.004 1.637 -2.282 628 HB THR 80 HB THR 80 11.227 1.837 -4.132 629 HG1 THR 80 1HG THR 80 9.853 3.396 -3.663 630 1HG2 THR 80 1HG2 THR 80 9.684 0.278 -2.924 631 2HG2 THR 80 2HG2 THR 80 10.582 0.618 -1.445 632 3HG2 THR 80 3HG2 THR 80 11.388 -0.162 -2.805 633 H GLU 81 H GLU 81 13.769 2.150 -4.451 634 HA GLU 81 HA GLU 81 15.048 4.620 -4.603 635 1HB GLU 81 2HB GLU 81 14.914 2.249 -6.168 636 2HB GLU 81 1HB GLU 81 14.658 3.612 -7.249 637 1HG GLU 81 2HG GLU 81 16.788 4.367 -5.621 638 2HG GLU 81 1HG GLU 81 17.081 2.674 -6.015 639 H ALA 82 H ALA 82 14.695 6.461 -5.882 640 HA ALA 82 HA ALA 82 12.319 7.709 -5.829 641 1HB ALA 82 1HB ALA 82 14.114 9.026 -6.470 642 2HB ALA 82 2HB ALA 82 13.130 8.965 -7.933 643 3HB ALA 82 3HB ALA 82 14.565 7.949 -7.791 644 H LEU 83 H LEU 83 10.372 7.111 -6.481 645 HA LEU 83 HA LEU 83 10.092 5.868 -9.139 646 1HB LEU 83 2HB LEU 83 9.230 4.949 -6.583 647 2HB LEU 83 1HB LEU 83 7.804 5.343 -7.524 648 HG LEU 83 HG LEU 83 8.466 3.811 -9.273 649 1HD1 LEU 83 1HD1 LEU 83 10.565 3.168 -9.601 650 2HD1 LEU 83 2HD1 LEU 83 10.661 2.488 -7.977 651 3HD1 LEU 83 3HD1 LEU 83 11.043 4.189 -8.244 652 1HD2 LEU 83 1HD2 LEU 83 8.939 2.236 -6.784 653 2HD2 LEU 83 2HD2 LEU 83 7.935 1.855 -8.184 654 3HD2 LEU 83 3HD2 LEU 83 7.395 3.057 -7.011 655 H LYS 84 H LYS 84 8.427 6.559 -10.463 656 HA LYS 84 HA LYS 84 7.517 9.251 -9.994 657 1HB LYS 84 2HB LYS 84 7.976 7.610 -12.250 658 2HB LYS 84 1HB LYS 84 6.271 8.034 -12.278 659 1HG LYS 84 2HG LYS 84 7.527 10.423 -11.692 660 2HG LYS 84 1HG LYS 84 8.599 9.654 -12.865 661 1HD LYS 84 2HD LYS 84 5.629 10.062 -13.219 662 2HD LYS 84 1HD LYS 84 6.888 11.068 -13.938 663 1HE LYS 84 2HE LYS 84 7.579 9.395 -15.385 664 2HE LYS 84 1HE LYS 84 6.889 8.112 -14.391 665 1HZ LYS 84 1HZ LYS 84 5.701 9.576 -16.526 666 2HZ LYS 84 2HZ LYS 84 4.754 9.667 -15.127 667 3HZ LYS 84 3HZ LYS 84 5.168 8.159 -15.770 668 H ASP 85 H ASP 85 6.226 6.063 -9.666 669 HA ASP 85 HA ASP 85 3.515 6.415 -9.943 670 1HB ASP 85 2HB ASP 85 4.746 4.806 -7.707 671 2HB ASP 85 1HB ASP 85 3.223 4.507 -8.541 672 H LEU 86 H LEU 86 5.537 7.237 -7.158 673 HA LEU 86 HA LEU 86 3.197 8.484 -5.886 674 1HB LEU 86 2HB LEU 86 4.971 6.727 -4.814 675 2HB LEU 86 1HB LEU 86 5.708 8.250 -4.358 676 HG LEU 86 HG LEU 86 4.160 7.199 -2.656 677 1HD1 LEU 86 1HD1 LEU 86 4.490 9.909 -3.446 678 2HD1 LEU 86 2HD1 LEU 86 4.201 9.250 -1.835 679 3HD1 LEU 86 3HD1 LEU 86 2.839 9.687 -2.866 680 1HD2 LEU 86 1HD2 LEU 86 2.445 6.868 -4.716 681 2HD2 LEU 86 2HD2 LEU 86 1.827 8.365 -4.017 682 3HD2 LEU 86 3HD2 LEU 86 1.957 6.915 -3.021 683 H GLU 87 H GLU 87 6.275 9.109 -7.319 684 HA GLU 87 HA GLU 87 5.829 11.970 -7.002 685 1HB GLU 87 2HB GLU 87 8.140 10.468 -5.865 686 2HB GLU 87 1HB GLU 87 8.447 12.054 -6.559 687 1HG GLU 87 2HG GLU 87 7.479 13.125 -4.852 688 2HG GLU 87 1HG GLU 87 6.157 11.964 -4.742 Start of MODEL 5 1 1H MET 1 1HT MET 1 17.787 9.458 3.056 2 2H MET 1 2HT MET 1 17.194 7.881 3.207 3 3H MET 1 3HT MET 1 18.857 8.171 3.310 4 HA MET 1 HA MET 1 17.489 7.798 5.456 5 1HB MET 1 2HB MET 1 19.027 9.498 6.585 6 2HB MET 1 1HB MET 1 19.797 8.267 5.594 7 1HG MET 1 2HG MET 1 20.900 9.969 4.680 8 2HG MET 1 1HG MET 1 19.410 10.264 3.786 9 1HE MET 1 1HE MET 1 22.072 12.212 5.439 10 2HE MET 1 2HE MET 1 21.629 11.132 6.760 11 3HE MET 1 3HE MET 1 21.368 12.869 6.916 12 H GLY 2 H GLY 2 15.558 8.421 6.163 13 1HA GLY 2 2HA GLY 2 14.100 9.929 7.204 14 2HA GLY 2 1HA GLY 2 15.048 11.259 6.556 15 H GLN 3 H GLN 3 14.346 8.978 4.160 16 HA GLN 3 HA GLN 3 11.900 10.400 3.368 17 1HB GLN 3 2HB GLN 3 14.015 9.621 1.378 18 2HB GLN 3 1HB GLN 3 12.633 10.680 1.140 19 1HG GLN 3 2HG GLN 3 13.692 12.263 2.774 20 2HG GLN 3 1HG GLN 3 15.131 11.246 2.709 21 1HE2 GLN 3 1HE2 GLN 3 15.746 10.714 0.325 22 2HE2 GLN 3 2HE2 GLN 3 15.822 12.085 -0.724 23 H VAL 4 H VAL 4 10.292 9.086 2.879 24 HA VAL 4 HA VAL 4 10.855 6.424 1.802 25 HB VAL 4 HB VAL 4 9.226 5.372 3.311 26 1HG1 VAL 4 1HG1 VAL 4 11.055 4.832 4.439 27 2HG1 VAL 4 2HG1 VAL 4 10.792 6.246 5.463 28 3HG1 VAL 4 3HG1 VAL 4 11.816 6.371 4.030 29 1HG2 VAL 4 1HG2 VAL 4 7.782 7.120 3.926 30 2HG2 VAL 4 2HG2 VAL 4 9.109 8.122 4.515 31 3HG2 VAL 4 3HG2 VAL 4 8.631 6.677 5.407 32 H VAL 5 H VAL 5 9.205 5.547 0.543 33 HA VAL 5 HA VAL 5 7.214 7.503 -0.341 34 HB VAL 5 HB VAL 5 6.880 6.083 -2.289 35 1HG1 VAL 5 1HG1 VAL 5 8.793 6.684 -3.392 36 2HG1 VAL 5 2HG1 VAL 5 9.846 6.181 -2.070 37 3HG1 VAL 5 3HG1 VAL 5 8.934 7.686 -1.948 38 1HG2 VAL 5 1HG2 VAL 5 8.219 4.075 -2.661 39 2HG2 VAL 5 2HG2 VAL 5 7.198 3.897 -1.237 40 3HG2 VAL 5 3HG2 VAL 5 8.921 4.232 -1.051 41 H GLN 6 H GLN 6 5.176 7.325 0.267 42 HA GLN 6 HA GLN 6 4.363 4.879 1.642 43 1HB GLN 6 2HB GLN 6 3.122 7.630 1.686 44 2HB GLN 6 1HB GLN 6 2.607 6.256 2.655 45 1HG GLN 6 2HG GLN 6 4.172 6.627 4.180 46 2HG GLN 6 1HG GLN 6 5.432 6.795 2.962 47 1HE2 GLN 6 1HE2 GLN 6 4.641 8.963 1.560 48 2HE2 GLN 6 2HE2 GLN 6 4.622 10.363 2.571 49 H PHE 7 H PHE 7 2.464 3.817 1.212 50 HA PHE 7 HA PHE 7 1.357 4.316 -1.445 51 1HB PHE 7 2HB PHE 7 2.062 2.063 -1.256 52 2HB PHE 7 1HB PHE 7 1.399 1.904 0.366 53 HD1 PHE 7 1HD PHE 7 -0.482 0.640 0.571 54 HD2 PHE 7 2HD PHE 7 0.180 2.756 -3.058 55 HE1 PHE 7 1HE PHE 7 -2.557 -0.297 -0.347 56 HE2 PHE 7 2HE PHE 7 -1.895 1.822 -3.987 57 HZ PHE 7 HZ PHE 7 -3.271 0.291 -2.633 58 H LYS 8 H LYS 8 -0.644 5.033 -1.704 59 HA LYS 8 HA LYS 8 -2.379 5.258 0.667 60 1HB LYS 8 2HB LYS 8 -1.516 7.423 0.087 61 2HB LYS 8 1HB LYS 8 -1.909 7.186 -1.607 62 1HG LYS 8 2HG LYS 8 -4.328 7.111 -0.924 63 2HG LYS 8 1HG LYS 8 -3.805 7.630 0.677 64 1HD LYS 8 2HD LYS 8 -3.600 9.119 -1.929 65 2HD LYS 8 1HD LYS 8 -4.430 9.607 -0.454 66 1HE LYS 8 2HE LYS 8 -2.093 9.569 0.625 67 2HE LYS 8 1HE LYS 8 -1.486 9.565 -1.031 68 1HZ LYS 8 1HZ LYS 8 -3.181 11.636 0.249 69 2HZ LYS 8 2HZ LYS 8 -2.828 11.604 -1.404 70 3HZ LYS 8 3HZ LYS 8 -1.582 11.803 -0.278 71 H LEU 9 H LEU 9 -4.471 4.645 0.469 72 HA LEU 9 HA LEU 9 -5.333 2.861 -1.427 73 1HB LEU 9 2HB LEU 9 -6.424 3.374 0.759 74 2HB LEU 9 1HB LEU 9 -7.085 4.832 0.050 75 HG LEU 9 HG LEU 9 -8.735 3.005 0.184 76 1HD1 LEU 9 1HD1 LEU 9 -8.349 4.740 -1.865 77 2HD1 LEU 9 2HD1 LEU 9 -9.755 3.699 -1.669 78 3HD1 LEU 9 3HD1 LEU 9 -8.427 3.196 -2.715 79 1HD2 LEU 9 1HD2 LEU 9 -8.115 0.937 -0.225 80 2HD2 LEU 9 2HD2 LEU 9 -6.588 1.472 -0.936 81 3HD2 LEU 9 3HD2 LEU 9 -8.036 1.353 -1.938 82 H SER 10 H SER 10 -5.523 3.087 -3.559 83 HA SER 10 HA SER 10 -6.751 5.541 -4.606 84 1HB SER 10 2HB SER 10 -5.123 5.335 -6.566 85 2HB SER 10 1HB SER 10 -4.454 5.919 -5.043 86 HG SER 10 HG SER 10 -3.885 3.645 -6.441 87 H ASP 11 H ASP 11 -8.674 4.677 -5.167 88 HA ASP 11 HA ASP 11 -8.834 3.174 -7.554 89 1HB ASP 11 2HB ASP 11 -10.348 1.433 -5.952 90 2HB ASP 11 1HB ASP 11 -8.860 1.064 -6.812 91 H ILE 12 H ILE 12 -10.474 4.233 -4.614 92 HA ILE 12 HA ILE 12 -12.840 4.841 -6.259 93 HB ILE 12 HB ILE 12 -13.987 4.938 -3.919 94 1HG1 ILE 12 2HG1 ILE 12 -11.662 4.524 -2.829 95 2HG1 ILE 12 1HG1 ILE 12 -13.069 3.691 -2.179 96 1HG2 ILE 12 1HG2 ILE 12 -14.714 3.420 -5.581 97 2HG2 ILE 12 2HG2 ILE 12 -14.475 2.478 -4.110 98 3HG2 ILE 12 3HG2 ILE 12 -13.273 2.420 -5.399 99 1HD1 ILE 12 1HD1 ILE 12 -11.357 2.359 -4.233 100 2HD1 ILE 12 2HD1 ILE 12 -12.393 1.642 -3.001 101 3HD1 ILE 12 3HD1 ILE 12 -10.863 2.388 -2.540 102 H GLY 13 H GLY 13 -14.164 6.706 -5.294 103 1HA GLY 13 2HA GLY 13 -12.337 8.950 -5.000 104 2HA GLY 13 1HA GLY 13 -14.065 9.046 -5.294 105 H GLU 14 H GLU 14 -13.060 10.769 -3.529 106 HA GLU 14 HA GLU 14 -13.211 9.716 -0.839 107 1HB GLU 14 2HB GLU 14 -12.409 12.238 -2.109 108 2HB GLU 14 1HB GLU 14 -13.241 12.443 -0.574 109 1HG GLU 14 2HG GLU 14 -11.463 11.795 0.577 110 2HG GLU 14 1HG GLU 14 -11.253 10.359 -0.424 111 H GLY 15 H GLY 15 -15.299 8.960 -0.583 112 1HA GLY 15 2HA GLY 15 -17.217 10.409 0.586 113 2HA GLY 15 1HA GLY 15 -17.546 10.728 -1.112 114 H ILE 16 H ILE 16 -16.825 8.150 -2.091 115 HA ILE 16 HA ILE 16 -19.266 6.748 -1.445 116 HB ILE 16 HB ILE 16 -18.761 5.288 -3.273 117 1HG1 ILE 16 2HG1 ILE 16 -16.302 6.394 -4.262 118 2HG1 ILE 16 1HG1 ILE 16 -16.063 5.847 -2.603 119 1HG2 ILE 16 1HG2 ILE 16 -18.675 8.170 -3.550 120 2HG2 ILE 16 2HG2 ILE 16 -19.571 6.971 -4.481 121 3HG2 ILE 16 3HG2 ILE 16 -17.901 7.346 -4.904 122 1HD1 ILE 16 1HD1 ILE 16 -15.753 3.828 -3.448 123 2HD1 ILE 16 2HD1 ILE 16 -16.347 4.317 -5.034 124 3HD1 ILE 16 3HD1 ILE 16 -17.481 3.794 -3.789 125 H ARG 17 H ARG 17 -18.659 4.123 -1.719 126 HA ARG 17 HA ARG 17 -17.783 3.394 0.846 127 1HB ARG 17 2HB ARG 17 -18.714 2.043 -1.558 128 2HB ARG 17 1HB ARG 17 -17.467 1.123 -0.728 129 1HG ARG 17 2HG ARG 17 -19.835 2.225 0.740 130 2HG ARG 17 1HG ARG 17 -19.901 0.677 -0.106 131 1HD ARG 17 2HD ARG 17 -17.698 1.255 1.837 132 2HD ARG 17 1HD ARG 17 -19.279 0.727 2.412 133 HE ARG 17 HE ARG 17 -17.294 -0.872 1.098 134 1HH1 ARG 17 1HH1 ARG 17 -20.696 -0.510 1.742 135 2HH1 ARG 17 2HH1 ARG 17 -21.053 -2.188 1.507 136 1HH2 ARG 17 1HH2 ARG 17 -17.752 -3.087 0.783 137 2HH2 ARG 17 2HH2 ARG 17 -19.379 -3.654 0.963 138 H GLU 18 H GLU 18 -15.907 2.245 1.501 139 HA GLU 18 HA GLU 18 -13.536 2.977 -0.060 140 1HB GLU 18 2HB GLU 18 -13.970 2.301 2.840 141 2HB GLU 18 1HB GLU 18 -12.359 2.320 2.132 142 1HG GLU 18 2HG GLU 18 -12.361 4.465 2.760 143 2HG GLU 18 1HG GLU 18 -13.314 4.707 1.295 144 H VAL 19 H VAL 19 -11.643 1.271 0.272 145 HA VAL 19 HA VAL 19 -12.877 -1.361 -0.275 146 HB VAL 19 HB VAL 19 -11.821 -0.273 -2.259 147 1HG1 VAL 19 1HG1 VAL 19 -9.953 0.837 -1.329 148 2HG1 VAL 19 2HG1 VAL 19 -9.313 -0.442 -2.362 149 3HG1 VAL 19 3HG1 VAL 19 -9.337 -0.651 -0.611 150 1HG2 VAL 19 1HG2 VAL 19 -10.354 -2.793 -1.553 151 2HG2 VAL 19 2HG2 VAL 19 -10.980 -2.275 -3.119 152 3HG2 VAL 19 3HG2 VAL 19 -12.092 -2.788 -1.850 153 H THR 20 H THR 20 -11.883 -3.237 0.417 154 HA THR 20 HA THR 20 -10.150 -2.888 2.754 155 HB THR 20 HB THR 20 -11.204 -5.571 2.058 156 HG1 THR 20 1HG THR 20 -13.267 -5.084 2.355 157 1HG2 THR 20 1HG2 THR 20 -11.552 -5.707 4.465 158 2HG2 THR 20 2HG2 THR 20 -11.141 -4.004 4.640 159 3HG2 THR 20 3HG2 THR 20 -9.916 -5.154 4.114 160 H VAL 21 H VAL 21 -8.417 -4.405 3.124 161 HA VAL 21 HA VAL 21 -6.838 -4.814 0.740 162 HB VAL 21 HB VAL 21 -6.226 -5.580 3.602 163 1HG1 VAL 21 1HG1 VAL 21 -4.741 -6.873 2.438 164 2HG1 VAL 21 2HG1 VAL 21 -3.826 -5.368 2.526 165 3HG1 VAL 21 3HG1 VAL 21 -4.705 -5.780 1.054 166 1HG2 VAL 21 1HG2 VAL 21 -6.221 -3.310 3.772 167 2HG2 VAL 21 2HG2 VAL 21 -5.911 -3.071 2.052 168 3HG2 VAL 21 3HG2 VAL 21 -4.593 -3.530 3.130 169 H LYS 22 H LYS 22 -6.813 -6.607 -0.450 170 HA LYS 22 HA LYS 22 -8.177 -8.980 0.553 171 1HB LYS 22 2HB LYS 22 -7.817 -7.749 -2.020 172 2HB LYS 22 1HB LYS 22 -7.271 -9.419 -2.083 173 1HG LYS 22 2HG LYS 22 -9.985 -8.464 -1.192 174 2HG LYS 22 1HG LYS 22 -9.597 -9.255 -2.721 175 1HD LYS 22 2HD LYS 22 -9.334 -11.316 -1.745 176 2HD LYS 22 1HD LYS 22 -8.882 -10.637 -0.180 177 1HE LYS 22 2HE LYS 22 -11.041 -10.388 0.490 178 2HE LYS 22 1HE LYS 22 -11.626 -10.088 -1.146 179 1HZ LYS 22 1HZ LYS 22 -12.236 -12.194 -1.303 180 2HZ LYS 22 2HZ LYS 22 -11.764 -12.455 0.299 181 3HZ LYS 22 3HZ LYS 22 -10.668 -12.731 -0.960 182 H GLU 23 H GLU 23 -4.975 -7.893 -0.337 183 HA GLU 23 HA GLU 23 -3.913 -10.446 0.627 184 1HB GLU 23 2HB GLU 23 -3.919 -9.662 -2.090 185 2HB GLU 23 1HB GLU 23 -2.261 -9.520 -1.523 186 1HG GLU 23 2HG GLU 23 -3.946 -11.985 -1.165 187 2HG GLU 23 1HG GLU 23 -2.854 -11.724 -2.525 188 H TRP 24 H TRP 24 -2.558 -10.063 2.215 189 HA TRP 24 HA TRP 24 -0.936 -7.599 2.169 190 1HB TRP 24 2HB TRP 24 -2.490 -8.909 4.310 191 2HB TRP 24 1HB TRP 24 -0.875 -8.395 4.783 192 HD1 TRP 24 HD TRP 24 -4.159 -7.159 5.059 193 HE1 TRP 24 1HE TRP 24 -4.280 -4.588 5.080 194 HE3 TRP 24 3HE TRP 24 0.475 -6.127 3.181 195 HZ2 TRP 24 2HZ TRP 24 -2.622 -2.410 4.386 196 HZ3 TRP 24 3HZ TRP 24 1.131 -3.775 2.889 197 HH2 TRP 24 HH TRP 24 -0.386 -1.955 3.477 198 H TYR 25 H TYR 25 1.214 -7.928 1.957 199 HA TYR 25 HA TYR 25 2.285 -10.520 2.867 200 1HB TYR 25 2HB TYR 25 2.451 -9.266 0.191 201 2HB TYR 25 1HB TYR 25 3.928 -10.008 0.794 202 HD1 TYR 25 1HD TYR 25 1.703 -10.703 -1.482 203 HD2 TYR 25 2HD TYR 25 2.865 -12.327 2.276 204 HE1 TYR 25 1HE TYR 25 0.878 -12.910 -2.187 205 HE2 TYR 25 2HE TYR 25 2.043 -14.538 1.580 206 HH TYR 25 HH TYR 25 0.163 -14.985 -1.275 207 H VAL 26 H VAL 26 2.344 -7.869 4.167 208 HA VAL 26 HA VAL 26 5.189 -7.832 4.688 209 HB VAL 26 HB VAL 26 5.596 -5.530 4.207 210 1HG1 VAL 26 1HG1 VAL 26 5.799 -7.064 2.321 211 2HG1 VAL 26 2HG1 VAL 26 5.300 -5.457 1.797 212 3HG1 VAL 26 3HG1 VAL 26 4.118 -6.756 1.886 213 1HG2 VAL 26 1HG2 VAL 26 3.836 -4.164 4.577 214 2HG2 VAL 26 2HG2 VAL 26 2.658 -5.376 4.075 215 3HG2 VAL 26 3HG2 VAL 26 3.515 -4.425 2.863 216 H LYS 27 H LYS 27 5.738 -6.263 6.467 217 HA LYS 27 HA LYS 27 3.493 -5.576 8.194 218 1HB LYS 27 2HB LYS 27 5.097 -7.898 8.601 219 2HB LYS 27 1HB LYS 27 5.471 -6.745 9.875 220 1HG LYS 27 2HG LYS 27 3.718 -7.684 10.904 221 2HG LYS 27 1HG LYS 27 2.773 -6.613 9.867 222 1HD LYS 27 2HD LYS 27 2.594 -8.428 8.204 223 2HD LYS 27 1HD LYS 27 3.478 -9.493 9.299 224 1HE LYS 27 2HE LYS 27 1.098 -8.121 10.401 225 2HE LYS 27 1HE LYS 27 0.803 -9.381 9.203 226 1HZ LYS 27 1HZ LYS 27 1.981 -10.951 10.546 227 2HZ LYS 27 2HZ LYS 27 0.819 -10.198 11.517 228 3HZ LYS 27 3HZ LYS 27 2.446 -9.753 11.648 229 H GLU 28 H GLU 28 4.209 -4.296 10.101 230 HA GLU 28 HA GLU 28 5.730 -2.093 9.348 231 1HB GLU 28 2HB GLU 28 5.486 -2.899 12.233 232 2HB GLU 28 1HB GLU 28 5.449 -1.288 11.534 233 1HG GLU 28 2HG GLU 28 3.245 -1.370 11.675 234 2HG GLU 28 1HG GLU 28 3.272 -2.594 10.406 235 H GLY 29 H GLY 29 7.852 -1.516 9.519 236 1HA GLY 29 2HA GLY 29 10.105 -1.694 9.969 237 2HA GLY 29 1HA GLY 29 9.708 -2.880 11.202 238 H ASP 30 H ASP 30 8.318 -3.863 8.338 239 HA ASP 30 HA ASP 30 10.427 -5.841 7.951 240 1HB ASP 30 2HB ASP 30 7.739 -6.138 8.110 241 2HB ASP 30 1HB ASP 30 7.940 -6.022 6.364 242 H THR 31 H THR 31 11.205 -6.395 5.869 243 HA THR 31 HA THR 31 11.243 -4.106 4.035 244 HB THR 31 HB THR 31 13.092 -6.405 3.641 245 HG1 THR 31 1HG THR 31 13.617 -4.405 5.594 246 1HG2 THR 31 1HG2 THR 31 14.642 -4.516 3.111 247 2HG2 THR 31 2HG2 THR 31 13.305 -3.404 3.409 248 3HG2 THR 31 3HG2 THR 31 13.203 -4.572 2.092 249 H VAL 32 H VAL 32 10.872 -4.354 1.850 250 HA VAL 32 HA VAL 32 9.368 -6.766 1.118 251 HB VAL 32 HB VAL 32 8.845 -4.986 -0.897 252 1HG1 VAL 32 1HG1 VAL 32 6.913 -4.629 1.169 253 2HG1 VAL 32 2HG1 VAL 32 7.473 -6.301 1.168 254 3HG1 VAL 32 3HG1 VAL 32 6.804 -5.593 -0.303 255 1HG2 VAL 32 1HG2 VAL 32 8.942 -3.393 1.664 256 2HG2 VAL 32 2HG2 VAL 32 8.206 -2.864 0.153 257 3HG2 VAL 32 3HG2 VAL 32 9.946 -3.134 0.236 258 H SER 33 H SER 33 9.513 -7.448 -1.160 259 HA SER 33 HA SER 33 12.148 -6.891 -2.343 260 1HB SER 33 2HB SER 33 12.204 -9.071 -1.177 261 2HB SER 33 1HB SER 33 10.837 -9.615 -2.149 262 HG SER 33 HG SER 33 12.256 -10.177 -3.576 263 H GLN 34 H GLN 34 12.155 -8.010 -4.658 264 HA GLN 34 HA GLN 34 10.244 -6.602 -6.194 265 1HB GLN 34 2HB GLN 34 12.363 -8.624 -6.847 266 2HB GLN 34 1HB GLN 34 11.251 -8.060 -8.087 267 1HG GLN 34 2HG GLN 34 12.259 -6.072 -8.268 268 2HG GLN 34 1HG GLN 34 12.507 -5.925 -6.528 269 1HE2 GLN 34 1HE2 GLN 34 14.243 -7.299 -5.614 270 2HE2 GLN 34 2HE2 GLN 34 15.676 -7.521 -6.552 271 H PHE 35 H PHE 35 10.239 -9.753 -4.811 272 HA PHE 35 HA PHE 35 7.996 -10.566 -6.519 273 1HB PHE 35 2HB PHE 35 9.722 -12.191 -4.644 274 2HB PHE 35 1HB PHE 35 8.389 -12.834 -5.596 275 HD1 PHE 35 1HD PHE 35 11.288 -13.748 -5.636 276 HD2 PHE 35 2HD PHE 35 9.136 -10.969 -8.037 277 HE1 PHE 35 1HE PHE 35 12.835 -14.165 -7.502 278 HE2 PHE 35 2HE PHE 35 10.679 -11.382 -9.906 279 HZ PHE 35 HZ PHE 35 12.531 -12.983 -9.640 280 H ASP 36 H ASP 36 8.741 -9.463 -3.361 281 HA ASP 36 HA ASP 36 6.255 -10.528 -2.252 282 1HB ASP 36 2HB ASP 36 8.736 -9.340 -1.093 283 2HB ASP 36 1HB ASP 36 7.240 -9.218 -0.172 284 H SER 37 H SER 37 4.546 -9.360 -2.892 285 HA SER 37 HA SER 37 4.605 -6.563 -3.386 286 1HB SER 37 2HB SER 37 2.232 -8.386 -2.912 287 2HB SER 37 1HB SER 37 2.157 -6.758 -3.586 288 HG SER 37 HG SER 37 2.245 -8.702 -5.064 289 H ILE 38 H ILE 38 3.315 -4.937 -2.224 290 HA ILE 38 HA ILE 38 3.702 -5.233 0.649 291 HB ILE 38 HB ILE 38 2.899 -2.789 -0.931 292 1HG1 ILE 38 2HG1 ILE 38 5.545 -3.864 0.019 293 2HG1 ILE 38 1HG1 ILE 38 5.098 -3.321 -1.593 294 1HG2 ILE 38 1HG2 ILE 38 3.977 -2.818 1.871 295 2HG2 ILE 38 2HG2 ILE 38 2.250 -2.952 1.549 296 3HG2 ILE 38 3HG2 ILE 38 3.134 -1.523 1.022 297 1HD1 ILE 38 1HD1 ILE 38 4.778 -1.056 -0.077 298 2HD1 ILE 38 2HD1 ILE 38 6.181 -1.450 -1.072 299 3HD1 ILE 38 3HD1 ILE 38 6.186 -1.831 0.651 300 H CYS 39 H CYS 39 1.121 -3.487 -1.056 301 HA CYS 39 HA CYS 39 -0.834 -4.944 0.598 302 1HB CYS 39 2HB CYS 39 -0.449 -2.527 1.244 303 2HB CYS 39 1HB CYS 39 -1.120 -2.082 -0.322 304 HG CYS 39 HG CYS 39 -3.339 -4.041 0.836 305 H GLU 40 H GLU 40 -2.781 -5.518 -0.353 306 HA GLU 40 HA GLU 40 -3.160 -4.876 -3.182 307 1HB GLU 40 2HB GLU 40 -3.384 -7.706 -2.160 308 2HB GLU 40 1HB GLU 40 -3.485 -7.155 -3.827 309 1HG GLU 40 2HG GLU 40 -1.007 -6.267 -2.993 310 2HG GLU 40 1HG GLU 40 -1.167 -7.852 -2.237 311 H VAL 41 H VAL 41 -5.192 -4.320 -3.596 312 HA VAL 41 HA VAL 41 -7.315 -5.283 -1.793 313 HB VAL 41 HB VAL 41 -8.438 -3.142 -1.930 314 1HG1 VAL 41 1HG1 VAL 41 -5.708 -3.383 -0.869 315 2HG1 VAL 41 2HG1 VAL 41 -7.204 -2.906 -0.065 316 3HG1 VAL 41 3HG1 VAL 41 -6.308 -1.731 -1.029 317 1HG2 VAL 41 1HG2 VAL 41 -7.552 -1.241 -3.076 318 2HG2 VAL 41 2HG2 VAL 41 -7.607 -2.580 -4.222 319 3HG2 VAL 41 3HG2 VAL 41 -6.074 -2.109 -3.490 320 H GLN 42 H GLN 42 -9.354 -5.643 -2.723 321 HA GLN 42 HA GLN 42 -9.444 -5.519 -5.665 322 1HB GLN 42 2HB GLN 42 -10.224 -7.831 -3.891 323 2HB GLN 42 1HB GLN 42 -10.746 -7.691 -5.564 324 1HG GLN 42 2HG GLN 42 -8.039 -7.321 -5.754 325 2HG GLN 42 1HG GLN 42 -8.179 -8.511 -4.461 326 1HE2 GLN 42 1HE2 GLN 42 -6.999 -9.059 -6.923 327 2HE2 GLN 42 2HE2 GLN 42 -7.969 -10.220 -7.757 328 H SER 43 H SER 43 -11.121 -4.405 -6.387 329 HA SER 43 HA SER 43 -13.448 -4.058 -4.622 330 1HB SER 43 2HB SER 43 -11.888 -2.134 -5.830 331 2HB SER 43 1HB SER 43 -13.264 -2.257 -6.926 332 HG SER 43 HG SER 43 -13.615 -2.032 -4.135 333 H ASP 44 H ASP 44 -15.551 -4.181 -5.490 334 HA ASP 44 HA ASP 44 -16.083 -6.280 -7.191 335 1HB ASP 44 2HB ASP 44 -18.363 -5.501 -7.269 336 2HB ASP 44 1HB ASP 44 -17.724 -5.175 -5.660 337 H LYS 45 H LYS 45 -15.353 -2.967 -7.975 338 HA LYS 45 HA LYS 45 -16.193 -3.190 -10.724 339 1HB LYS 45 2HB LYS 45 -14.424 -1.056 -9.534 340 2HB LYS 45 1HB LYS 45 -15.417 -0.947 -10.981 341 1HG LYS 45 2HG LYS 45 -17.431 -1.166 -9.551 342 2HG LYS 45 1HG LYS 45 -16.380 -1.115 -8.134 343 1HD LYS 45 2HD LYS 45 -16.064 1.053 -10.130 344 2HD LYS 45 1HD LYS 45 -17.536 1.065 -9.158 345 1HE LYS 45 2HE LYS 45 -14.842 0.746 -7.883 346 2HE LYS 45 1HE LYS 45 -15.469 2.342 -8.293 347 1HZ LYS 45 1HZ LYS 45 -17.544 1.183 -7.000 348 2HZ LYS 45 2HZ LYS 45 -16.432 2.248 -6.300 349 3HZ LYS 45 3HZ LYS 45 -16.212 0.577 -6.150 350 H ALA 46 H ALA 46 -13.048 -2.782 -9.096 351 HA ALA 46 HA ALA 46 -11.803 -4.469 -11.117 352 1HB ALA 46 1HB ALA 46 -10.412 -2.926 -12.037 353 2HB ALA 46 2HB ALA 46 -10.366 -1.934 -10.579 354 3HB ALA 46 3HB ALA 46 -11.764 -1.863 -11.651 355 H SER 47 H SER 47 -9.590 -5.087 -10.536 356 HA SER 47 HA SER 47 -9.280 -5.191 -7.620 357 1HB SER 47 2HB SER 47 -7.881 -6.905 -9.681 358 2HB SER 47 1HB SER 47 -7.973 -7.182 -7.942 359 HG SER 47 HG SER 47 -9.676 -7.960 -9.848 360 H VAL 48 H VAL 48 -7.522 -4.383 -6.603 361 HA VAL 48 HA VAL 48 -5.469 -3.115 -8.298 362 HB VAL 48 HB VAL 48 -5.930 -2.256 -5.466 363 1HG1 VAL 48 1HG1 VAL 48 -5.212 -0.538 -7.810 364 2HG1 VAL 48 2HG1 VAL 48 -3.996 -1.534 -7.011 365 3HG1 VAL 48 3HG1 VAL 48 -4.858 -0.295 -6.100 366 1HG2 VAL 48 1HG2 VAL 48 -7.735 -1.779 -7.768 367 2HG2 VAL 48 2HG2 VAL 48 -7.368 -0.399 -6.733 368 3HG2 VAL 48 3HG2 VAL 48 -8.092 -1.851 -6.042 369 H THR 49 H THR 49 -3.376 -3.605 -7.975 370 HA THR 49 HA THR 49 -2.636 -5.142 -5.585 371 HB THR 49 HB THR 49 -1.289 -6.687 -6.897 372 HG1 THR 49 1HG THR 49 -0.746 -6.044 -8.834 373 1HG2 THR 49 1HG2 THR 49 -3.037 -8.057 -7.167 374 2HG2 THR 49 2HG2 THR 49 -3.717 -7.050 -8.446 375 3HG2 THR 49 3HG2 THR 49 -4.060 -6.680 -6.756 376 H ILE 50 H ILE 50 -0.883 -4.329 -4.620 377 HA ILE 50 HA ILE 50 0.720 -2.379 -6.105 378 HB ILE 50 HB ILE 50 0.692 -2.905 -3.134 379 1HG1 ILE 50 2HG1 ILE 50 -1.490 -2.092 -3.974 380 2HG1 ILE 50 1HG1 ILE 50 -0.686 -0.902 -2.954 381 1HG2 ILE 50 1HG2 ILE 50 2.752 -1.899 -3.764 382 2HG2 ILE 50 2HG2 ILE 50 1.745 -0.626 -3.074 383 3HG2 ILE 50 3HG2 ILE 50 1.939 -0.748 -4.823 384 1HD1 ILE 50 1HD1 ILE 50 -0.531 -0.846 -5.950 385 2HD1 ILE 50 2HD1 ILE 50 -0.102 0.428 -4.809 386 3HD1 ILE 50 3HD1 ILE 50 -1.792 -0.023 -5.031 387 H THR 51 H THR 51 2.358 -3.301 -7.127 388 HA THR 51 HA THR 51 3.779 -5.561 -6.005 389 HB THR 51 HB THR 51 5.197 -5.307 -8.101 390 HG1 THR 51 1HG THR 51 4.767 -3.171 -8.642 391 1HG2 THR 51 1HG2 THR 51 2.565 -6.327 -7.742 392 2HG2 THR 51 2HG2 THR 51 3.819 -6.891 -8.846 393 3HG2 THR 51 3HG2 THR 51 2.676 -5.654 -9.368 394 H SER 52 H SER 52 6.333 -5.309 -6.493 395 HA SER 52 HA SER 52 7.139 -2.919 -4.978 396 1HB SER 52 2HB SER 52 8.961 -5.255 -5.086 397 2HB SER 52 1HB SER 52 8.587 -4.175 -3.744 398 HG SER 52 HG SER 52 7.616 -6.590 -4.205 399 H ARG 53 H ARG 53 8.641 -5.271 -7.216 400 HA ARG 53 HA ARG 53 9.917 -4.959 -9.081 401 1HB ARG 53 2HB ARG 53 9.377 -3.216 -10.399 402 2HB ARG 53 1HB ARG 53 8.267 -2.752 -9.121 403 1HG ARG 53 2HG ARG 53 10.346 -1.457 -8.194 404 2HG ARG 53 1HG ARG 53 10.900 -1.578 -9.867 405 1HD ARG 53 2HD ARG 53 8.222 -0.811 -10.028 406 2HD ARG 53 1HD ARG 53 8.899 0.143 -8.710 407 HE ARG 53 HE ARG 53 10.168 1.299 -10.233 408 1HH1 ARG 53 1HH1 ARG 53 8.846 -1.546 -11.747 409 2HH1 ARG 53 2HH1 ARG 53 9.322 -1.075 -13.345 410 1HH2 ARG 53 1HH2 ARG 53 10.800 1.928 -12.334 411 2HH2 ARG 53 2HH2 ARG 53 10.433 0.899 -13.678 412 H TYR 54 H TYR 54 10.610 -4.077 -6.048 413 HA TYR 54 HA TYR 54 13.392 -4.187 -6.329 414 1HB TYR 54 2HB TYR 54 12.141 -1.485 -6.252 415 2HB TYR 54 1HB TYR 54 13.568 -1.734 -5.251 416 HD1 TYR 54 1HD TYR 54 12.762 -0.241 -8.098 417 HD2 TYR 54 2HD TYR 54 15.271 -3.436 -6.838 418 HE1 TYR 54 1HE TYR 54 14.196 0.118 -10.064 419 HE2 TYR 54 2HE TYR 54 16.712 -3.087 -8.798 420 HH TYR 54 HH TYR 54 15.857 -0.801 -11.328 421 H ASP 55 H ASP 55 14.427 -3.568 -4.088 422 HA ASP 55 HA ASP 55 12.587 -4.642 -2.087 423 1HB ASP 55 2HB ASP 55 14.504 -5.264 -0.796 424 2HB ASP 55 1HB ASP 55 14.800 -5.758 -2.461 425 H GLY 56 H GLY 56 11.703 -3.402 -0.606 426 1HA GLY 56 2HA GLY 56 13.061 -0.886 0.114 427 2HA GLY 56 1HA GLY 56 11.335 -0.924 -0.223 428 H VAL 57 H VAL 57 12.250 0.070 2.166 429 HA VAL 57 HA VAL 57 11.763 -2.103 4.094 430 HB VAL 57 HB VAL 57 12.728 0.627 4.878 431 1HG1 VAL 57 1HG1 VAL 57 12.398 -0.442 6.837 432 2HG1 VAL 57 2HG1 VAL 57 13.977 -1.143 6.478 433 3HG1 VAL 57 3HG1 VAL 57 12.506 -2.042 6.105 434 1HG2 VAL 57 1HG2 VAL 57 15.005 0.006 4.559 435 2HG2 VAL 57 2HG2 VAL 57 14.172 -0.287 3.032 436 3HG2 VAL 57 3HG2 VAL 57 14.557 -1.637 4.099 437 H ILE 58 H ILE 58 9.836 -2.239 5.026 438 HA ILE 58 HA ILE 58 8.048 0.092 4.993 439 HB ILE 58 HB ILE 58 7.320 -2.762 5.679 440 1HG1 ILE 58 2HG1 ILE 58 6.803 -1.369 3.058 441 2HG1 ILE 58 1HG1 ILE 58 8.244 -2.348 3.319 442 1HG2 ILE 58 1HG2 ILE 58 5.043 -1.758 4.848 443 2HG2 ILE 58 2HG2 ILE 58 5.797 -0.228 5.301 444 3HG2 ILE 58 3HG2 ILE 58 5.588 -1.499 6.506 445 1HD1 ILE 58 1HD1 ILE 58 5.665 -3.610 3.981 446 2HD1 ILE 58 2HD1 ILE 58 7.099 -4.286 3.209 447 3HD1 ILE 58 3HD1 ILE 58 5.977 -3.296 2.275 448 H LYS 59 H LYS 59 7.579 1.163 6.800 449 HA LYS 59 HA LYS 59 8.754 0.190 9.292 450 1HB LYS 59 2HB LYS 59 9.363 2.427 8.464 451 2HB LYS 59 1HB LYS 59 7.685 2.928 8.620 452 1HG LYS 59 2HG LYS 59 7.940 2.230 11.089 453 2HG LYS 59 1HG LYS 59 9.673 2.306 10.765 454 1HD LYS 59 2HD LYS 59 9.246 4.643 9.858 455 2HD LYS 59 1HD LYS 59 7.644 4.520 10.587 456 1HE LYS 59 2HE LYS 59 9.301 3.731 12.628 457 2HE LYS 59 1HE LYS 59 10.244 4.989 11.830 458 1HZ LYS 59 1HZ LYS 59 8.782 6.589 12.423 459 2HZ LYS 59 2HZ LYS 59 8.442 5.514 13.684 460 3HZ LYS 59 3HZ LYS 59 7.432 5.573 12.329 461 H LYS 60 H LYS 60 5.562 1.007 7.994 462 HA LYS 60 HA LYS 60 4.376 -0.288 10.263 463 1HB LYS 60 2HB LYS 60 3.325 1.495 11.328 464 2HB LYS 60 1HB LYS 60 4.937 2.107 10.996 465 1HG LYS 60 2HG LYS 60 2.483 2.693 9.349 466 2HG LYS 60 1HG LYS 60 3.188 3.766 10.559 467 1HD LYS 60 2HD LYS 60 4.718 2.748 8.174 468 2HD LYS 60 1HD LYS 60 3.797 4.252 8.157 469 1HE LYS 60 2HE LYS 60 5.926 3.662 10.198 470 2HE LYS 60 1HE LYS 60 6.268 4.460 8.664 471 1HZ LYS 60 1HZ LYS 60 4.524 5.432 10.855 472 2HZ LYS 60 2HZ LYS 60 4.549 6.134 9.317 473 3HZ LYS 60 3HZ LYS 60 5.945 6.143 10.271 474 H LEU 61 H LEU 61 2.247 -0.809 10.062 475 HA LEU 61 HA LEU 61 0.807 0.025 7.657 476 1HB LEU 61 2HB LEU 61 1.129 -2.850 8.533 477 2HB LEU 61 1HB LEU 61 0.117 -2.291 7.213 478 HG LEU 61 HG LEU 61 2.759 -1.338 6.736 479 1HD1 LEU 61 1HD1 LEU 61 2.944 -4.273 6.744 480 2HD1 LEU 61 2HD1 LEU 61 3.024 -3.500 8.327 481 3HD1 LEU 61 3HD1 LEU 61 4.175 -3.052 7.068 482 1HD2 LEU 61 1HD2 LEU 61 1.355 -3.606 5.353 483 2HD2 LEU 61 2HD2 LEU 61 2.497 -2.446 4.672 484 3HD2 LEU 61 3HD2 LEU 61 0.881 -1.920 5.142 485 H TYR 62 H TYR 62 -1.223 0.635 8.187 486 HA TYR 62 HA TYR 62 -2.158 0.004 10.883 487 1HB TYR 62 2HB TYR 62 -2.021 2.376 9.783 488 2HB TYR 62 1HB TYR 62 -3.563 1.920 9.067 489 HD1 TYR 62 1HD TYR 62 -1.834 2.876 12.123 490 HD2 TYR 62 2HD TYR 62 -5.529 1.529 10.501 491 HE1 TYR 62 1HE TYR 62 -2.979 3.544 14.193 492 HE2 TYR 62 2HE TYR 62 -6.684 2.194 12.568 493 HH TYR 62 HH TYR 62 -5.954 2.511 15.065 494 H TYR 63 H TYR 63 -3.396 -0.103 7.539 495 HA TYR 63 HA TYR 63 -5.774 -1.496 8.481 496 1HB TYR 63 2HB TYR 63 -5.219 -0.953 5.588 497 2HB TYR 63 1HB TYR 63 -6.758 -1.008 6.433 498 HD1 TYR 63 1HD TYR 63 -5.412 1.168 4.546 499 HD2 TYR 63 2HD TYR 63 -6.013 0.810 8.742 500 HE1 TYR 63 1HE TYR 63 -5.388 3.619 4.753 501 HE2 TYR 63 2HE TYR 63 -5.991 3.259 8.961 502 HH TYR 63 HH TYR 63 -5.834 5.362 6.135 503 H ASN 64 H ASN 64 -6.190 -3.595 8.260 504 HA ASN 64 HA ASN 64 -4.152 -5.282 6.994 505 1HB ASN 64 2HB ASN 64 -6.298 -6.066 8.974 506 2HB ASN 64 1HB ASN 64 -4.981 -7.088 8.400 507 1HD2 ASN 64 1HD2 ASN 64 -3.147 -7.099 9.518 508 2HD2 ASN 64 2HD2 ASN 64 -2.728 -5.987 10.773 509 H LEU 65 H LEU 65 -5.519 -7.587 6.682 510 HA LEU 65 HA LEU 65 -6.698 -7.377 4.202 511 1HB LEU 65 2HB LEU 65 -6.541 -9.443 6.324 512 2HB LEU 65 1HB LEU 65 -7.682 -9.704 5.026 513 HG LEU 65 HG LEU 65 -4.885 -8.997 4.303 514 1HD1 LEU 65 1HD1 LEU 65 -5.357 -11.056 6.095 515 2HD1 LEU 65 2HD1 LEU 65 -3.923 -10.839 5.091 516 3HD1 LEU 65 3HD1 LEU 65 -5.248 -11.858 4.528 517 1HD2 LEU 65 1HD2 LEU 65 -6.975 -9.454 2.775 518 2HD2 LEU 65 2HD2 LEU 65 -6.531 -11.139 3.047 519 3HD2 LEU 65 3HD2 LEU 65 -5.372 -10.028 2.316 520 H ASP 66 H ASP 66 -8.129 -6.897 7.319 521 HA ASP 66 HA ASP 66 -10.831 -7.128 6.207 522 1HB ASP 66 2HB ASP 66 -9.754 -7.015 9.011 523 2HB ASP 66 1HB ASP 66 -11.462 -6.747 8.679 524 H ASP 67 H ASP 67 -8.549 -4.768 7.344 525 HA ASP 67 HA ASP 67 -10.416 -2.676 7.817 526 1HB ASP 67 2HB ASP 67 -7.452 -2.609 7.277 527 2HB ASP 67 1HB ASP 67 -8.398 -1.197 7.721 528 H ILE 68 H ILE 68 -10.863 -0.856 6.631 529 HA ILE 68 HA ILE 68 -10.525 -1.122 3.715 530 HB ILE 68 HB ILE 68 -12.501 0.789 4.837 531 1HG1 ILE 68 2HG1 ILE 68 -12.880 -1.272 6.173 532 2HG1 ILE 68 1HG1 ILE 68 -14.229 -0.894 5.106 533 1HG2 ILE 68 1HG2 ILE 68 -11.912 0.390 2.393 534 2HG2 ILE 68 2HG2 ILE 68 -13.626 0.412 2.819 535 3HG2 ILE 68 3HG2 ILE 68 -12.808 -1.123 2.549 536 1HD1 ILE 68 1HD1 ILE 68 -12.274 -2.654 3.881 537 2HD1 ILE 68 2HD1 ILE 68 -14.025 -2.814 4.005 538 3HD1 ILE 68 3HD1 ILE 68 -12.995 -3.326 5.343 539 H ALA 69 H ALA 69 -9.492 0.412 2.633 540 HA ALA 69 HA ALA 69 -8.484 2.683 4.180 541 1HB ALA 69 1HB ALA 69 -6.917 1.114 2.949 542 2HB ALA 69 2HB ALA 69 -6.704 2.838 2.644 543 3HB ALA 69 3HB ALA 69 -7.533 1.828 1.460 544 H TYR 70 H TYR 70 -8.526 4.786 3.309 545 HA TYR 70 HA TYR 70 -10.598 5.225 1.261 546 1HB TYR 70 2HB TYR 70 -10.321 7.556 2.889 547 2HB TYR 70 1HB TYR 70 -11.736 6.537 2.673 548 HD1 TYR 70 1HD TYR 70 -8.538 6.630 4.608 549 HD2 TYR 70 2HD TYR 70 -12.639 5.503 4.540 550 HE1 TYR 70 1HE TYR 70 -8.381 5.933 6.961 551 HE2 TYR 70 2HE TYR 70 -12.495 4.805 6.891 552 HH TYR 70 HH TYR 70 -9.641 4.292 8.485 553 H VAL 71 H VAL 71 -10.172 6.719 -0.319 554 HA VAL 71 HA VAL 71 -7.429 7.300 -0.828 555 HB VAL 71 HB VAL 71 -9.062 6.848 -2.629 556 1HG1 VAL 71 1HG1 VAL 71 -10.561 8.699 -3.338 557 2HG1 VAL 71 2HG1 VAL 71 -10.166 9.538 -1.839 558 3HG1 VAL 71 3HG1 VAL 71 -11.001 7.985 -1.787 559 1HG2 VAL 71 1HG2 VAL 71 -7.144 7.839 -3.452 560 2HG2 VAL 71 2HG2 VAL 71 -7.440 9.358 -2.607 561 3HG2 VAL 71 3HG2 VAL 71 -8.397 8.938 -4.028 562 H GLY 72 H GLY 72 -6.299 9.177 -0.649 563 1HA GLY 72 2HA GLY 72 -6.439 11.657 -0.601 564 2HA GLY 72 1HA GLY 72 -7.733 11.457 0.567 565 H LYS 73 H LYS 73 -5.670 9.104 1.437 566 HA LYS 73 HA LYS 73 -3.692 10.729 2.775 567 1HB LYS 73 2HB LYS 73 -4.364 9.865 5.047 568 2HB LYS 73 1HB LYS 73 -5.445 11.061 4.344 569 1HG LYS 73 2HG LYS 73 -7.103 9.658 4.782 570 2HG LYS 73 1HG LYS 73 -6.474 8.637 3.486 571 1HD LYS 73 2HD LYS 73 -6.796 7.376 5.566 572 2HD LYS 73 1HD LYS 73 -5.098 7.425 5.091 573 1HE LYS 73 2HE LYS 73 -4.502 8.753 6.844 574 2HE LYS 73 1HE LYS 73 -6.073 9.552 6.912 575 1HZ LYS 73 1HZ LYS 73 -6.295 8.276 8.736 576 2HZ LYS 73 2HZ LYS 73 -5.170 7.122 8.223 577 3HZ LYS 73 3HZ LYS 73 -6.751 7.086 7.624 578 HA PRO 74 HA PRO 74 -1.412 6.974 1.982 579 1HB PRO 74 2HB PRO 74 0.334 8.011 4.153 580 2HB PRO 74 1HB PRO 74 0.755 7.522 2.508 581 1HG PRO 74 2HG PRO 74 0.673 10.098 3.186 582 2HG PRO 74 1HG PRO 74 0.104 9.551 1.596 583 1HD PRO 74 2HD PRO 74 -1.475 10.344 4.008 584 2HD PRO 74 1HD PRO 74 -1.806 10.651 2.291 585 H LEU 75 H LEU 75 -0.960 4.992 3.016 586 HA LEU 75 HA LEU 75 -2.062 4.758 5.735 587 1HB LEU 75 2HB LEU 75 -3.076 2.704 5.216 588 2HB LEU 75 1HB LEU 75 -3.487 3.786 3.902 589 HG LEU 75 HG LEU 75 -1.105 2.404 3.178 590 1HD1 LEU 75 1HD1 LEU 75 -2.053 0.803 4.961 591 2HD1 LEU 75 2HD1 LEU 75 -1.615 0.146 3.384 592 3HD1 LEU 75 3HD1 LEU 75 -3.307 0.462 3.769 593 1HD2 LEU 75 1HD2 LEU 75 -2.974 1.375 1.568 594 2HD2 LEU 75 2HD2 LEU 75 -2.340 3.009 1.376 595 3HD2 LEU 75 3HD2 LEU 75 -3.878 2.750 2.201 596 H VAL 76 H VAL 76 0.438 3.733 3.482 597 HA VAL 76 HA VAL 76 1.924 2.680 5.795 598 HB VAL 76 HB VAL 76 1.007 0.744 4.576 599 1HG1 VAL 76 1HG1 VAL 76 2.517 0.549 2.286 600 2HG1 VAL 76 2HG1 VAL 76 2.017 2.241 2.293 601 3HG1 VAL 76 3HG1 VAL 76 0.803 0.961 2.362 602 1HG2 VAL 76 1HG2 VAL 76 3.828 0.482 3.857 603 2HG2 VAL 76 2HG2 VAL 76 2.861 -0.441 5.006 604 3HG2 VAL 76 3HG2 VAL 76 3.562 1.104 5.485 605 H ASP 77 H ASP 77 4.150 2.938 5.740 606 HA ASP 77 HA ASP 77 5.157 4.671 3.582 607 1HB ASP 77 2HB ASP 77 6.552 4.469 6.212 608 2HB ASP 77 1HB ASP 77 6.450 5.834 5.109 609 H ILE 78 H ILE 78 6.771 3.888 2.349 610 HA ILE 78 HA ILE 78 8.474 1.753 3.420 611 HB ILE 78 HB ILE 78 7.589 1.488 0.589 612 1HG1 ILE 78 2HG1 ILE 78 5.835 -0.197 1.680 613 2HG1 ILE 78 1HG1 ILE 78 5.884 0.988 2.983 614 1HG2 ILE 78 1HG2 ILE 78 8.601 -0.318 2.750 615 2HG2 ILE 78 2HG2 ILE 78 9.282 0.001 1.155 616 3HG2 ILE 78 3HG2 ILE 78 7.818 -0.970 1.310 617 1HD1 ILE 78 1HD1 ILE 78 5.622 2.268 0.412 618 2HD1 ILE 78 2HD1 ILE 78 4.609 2.395 1.853 619 3HD1 ILE 78 3HD1 ILE 78 4.334 1.094 0.695 620 H GLU 79 H GLU 79 10.565 1.651 2.488 621 HA GLU 79 HA GLU 79 11.256 4.076 0.985 622 1HB GLU 79 2HB GLU 79 12.561 2.533 3.059 623 2HB GLU 79 1HB GLU 79 13.614 2.721 1.665 624 1HG GLU 79 2HG GLU 79 12.530 5.245 2.062 625 2HG GLU 79 1HG GLU 79 12.860 4.637 3.684 626 H THR 80 H THR 80 11.294 3.837 -1.122 627 HA THR 80 HA THR 80 12.712 1.577 -2.304 628 HB THR 80 HB THR 80 10.790 1.631 -4.114 629 HG1 THR 80 1HG THR 80 9.297 2.167 -1.758 630 1HG2 THR 80 1HG2 THR 80 10.221 -0.421 -3.353 631 2HG2 THR 80 2HG2 THR 80 9.895 0.162 -1.720 632 3HG2 THR 80 3HG2 THR 80 11.555 -0.148 -2.231 633 H GLU 81 H GLU 81 13.333 1.990 -4.561 634 HA GLU 81 HA GLU 81 14.365 4.553 -4.941 635 1HB GLU 81 2HB GLU 81 15.058 2.399 -6.112 636 2HB GLU 81 1HB GLU 81 13.690 2.653 -7.188 637 1HG GLU 81 2HG GLU 81 15.523 4.937 -6.863 638 2HG GLU 81 1HG GLU 81 16.174 3.527 -7.696 639 H ALA 82 H ALA 82 13.780 6.221 -6.421 640 HA ALA 82 HA ALA 82 11.346 7.319 -6.238 641 1HB ALA 82 1HB ALA 82 11.806 8.632 -8.205 642 2HB ALA 82 2HB ALA 82 12.984 7.445 -8.763 643 3HB ALA 82 3HB ALA 82 13.300 8.382 -7.302 644 H LEU 83 H LEU 83 9.388 6.501 -6.551 645 HA LEU 83 HA LEU 83 8.882 4.976 -9.022 646 1HB LEU 83 2HB LEU 83 7.625 4.700 -6.294 647 2HB LEU 83 1HB LEU 83 6.947 3.970 -7.735 648 HG LEU 83 HG LEU 83 9.458 3.255 -6.265 649 1HD1 LEU 83 1HD1 LEU 83 6.910 2.197 -6.368 650 2HD1 LEU 83 2HD1 LEU 83 8.356 1.388 -5.765 651 3HD1 LEU 83 3HD1 LEU 83 7.843 1.147 -7.436 652 1HD2 LEU 83 1HD2 LEU 83 9.998 1.751 -8.207 653 2HD2 LEU 83 2HD2 LEU 83 10.286 3.469 -8.483 654 3HD2 LEU 83 3HD2 LEU 83 8.854 2.695 -9.162 655 H LYS 84 H LYS 84 7.613 5.958 -10.431 656 HA LYS 84 HA LYS 84 6.468 8.459 -10.072 657 1HB LYS 84 2HB LYS 84 6.526 6.438 -12.137 658 2HB LYS 84 1HB LYS 84 4.953 7.221 -12.072 659 1HG LYS 84 2HG LYS 84 5.753 8.992 -13.124 660 2HG LYS 84 1HG LYS 84 6.986 9.212 -11.881 661 1HD LYS 84 2HD LYS 84 7.825 7.034 -13.450 662 2HD LYS 84 1HD LYS 84 7.271 8.273 -14.578 663 1HE LYS 84 2HE LYS 84 8.703 9.916 -13.377 664 2HE LYS 84 1HE LYS 84 9.333 8.589 -12.402 665 1HZ LYS 84 1HZ LYS 84 9.512 8.717 -15.362 666 2HZ LYS 84 2HZ LYS 84 10.233 7.567 -14.352 667 3HZ LYS 84 3HZ LYS 84 10.757 9.175 -14.311 668 H ASP 85 H ASP 85 5.259 5.367 -9.163 669 HA ASP 85 HA ASP 85 2.601 5.353 -9.216 670 1HB ASP 85 2HB ASP 85 4.416 4.006 -7.743 671 2HB ASP 85 1HB ASP 85 3.621 4.931 -6.472 672 H LEU 86 H LEU 86 4.426 7.391 -6.950 673 HA LEU 86 HA LEU 86 1.919 8.841 -6.395 674 1HB LEU 86 2HB LEU 86 4.295 8.894 -4.569 675 2HB LEU 86 1HB LEU 86 2.628 9.297 -4.211 676 HG LEU 86 HG LEU 86 2.736 6.555 -5.008 677 1HD1 LEU 86 1HD1 LEU 86 4.312 6.762 -2.536 678 2HD1 LEU 86 2HD1 LEU 86 5.176 7.171 -4.019 679 3HD1 LEU 86 3HD1 LEU 86 4.405 5.594 -3.854 680 1HD2 LEU 86 1HD2 LEU 86 2.223 7.828 -2.320 681 2HD2 LEU 86 2HD2 LEU 86 1.760 6.199 -2.810 682 3HD2 LEU 86 3HD2 LEU 86 1.023 7.596 -3.593 683 H GLU 87 H GLU 87 5.070 9.054 -7.695 684 HA GLU 87 HA GLU 87 4.708 11.700 -8.586 685 1HB GLU 87 2HB GLU 87 7.011 12.250 -7.151 686 2HB GLU 87 1HB GLU 87 5.406 12.875 -6.810 687 1HG GLU 87 2HG GLU 87 5.044 11.367 -5.089 688 2HG GLU 87 1HG GLU 87 6.281 10.252 -5.668 Start of MODEL 6 1 1H MET 1 1HT MET 1 19.055 8.309 0.733 2 2H MET 1 2HT MET 1 18.495 9.896 0.905 3 3H MET 1 3HT MET 1 17.408 8.603 0.983 4 HA MET 1 HA MET 1 18.310 7.835 3.023 5 1HB MET 1 2HB MET 1 20.653 8.433 2.360 6 2HB MET 1 1HB MET 1 20.293 10.104 2.771 7 1HG MET 1 2HG MET 1 21.489 9.025 4.570 8 2HG MET 1 1HG MET 1 19.854 9.445 5.080 9 1HE MET 1 1HE MET 1 18.647 7.383 6.741 10 2HE MET 1 2HE MET 1 20.190 8.186 7.032 11 3HE MET 1 3HE MET 1 20.061 6.436 7.208 12 H GLY 2 H GLY 2 16.568 8.383 4.178 13 1HA GLY 2 2HA GLY 2 15.659 9.801 5.879 14 2HA GLY 2 1HA GLY 2 16.325 11.186 5.029 15 H GLN 3 H GLN 3 14.812 8.911 2.985 16 HA GLN 3 HA GLN 3 12.236 10.295 3.126 17 1HB GLN 3 2HB GLN 3 14.068 10.196 0.759 18 2HB GLN 3 1HB GLN 3 12.327 10.243 0.519 19 1HG GLN 3 2HG GLN 3 12.457 12.284 2.146 20 2HG GLN 3 1HG GLN 3 14.143 12.320 1.635 21 1HE2 GLN 3 1HE2 GLN 3 14.083 14.166 0.456 22 2HE2 GLN 3 2HE2 GLN 3 13.152 14.362 -0.986 23 H VAL 4 H VAL 4 10.484 9.115 2.391 24 HA VAL 4 HA VAL 4 10.965 6.389 1.434 25 HB VAL 4 HB VAL 4 9.349 5.439 3.001 26 1HG1 VAL 4 1HG1 VAL 4 10.752 6.184 5.179 27 2HG1 VAL 4 2HG1 VAL 4 11.850 6.698 3.898 28 3HG1 VAL 4 3HG1 VAL 4 11.321 5.017 3.987 29 1HG2 VAL 4 1HG2 VAL 4 9.235 8.230 4.120 30 2HG2 VAL 4 2HG2 VAL 4 8.624 6.804 4.962 31 3HG2 VAL 4 3HG2 VAL 4 7.916 7.289 3.422 32 H VAL 5 H VAL 5 9.277 5.496 0.239 33 HA VAL 5 HA VAL 5 7.331 7.451 -0.750 34 HB VAL 5 HB VAL 5 6.922 5.836 -2.574 35 1HG1 VAL 5 1HG1 VAL 5 8.753 7.595 -2.627 36 2HG1 VAL 5 2HG1 VAL 5 8.893 6.271 -3.783 37 3HG1 VAL 5 3HG1 VAL 5 9.884 6.276 -2.324 38 1HG2 VAL 5 1HG2 VAL 5 9.238 4.219 -1.561 39 2HG2 VAL 5 2HG2 VAL 5 8.050 3.800 -2.795 40 3HG2 VAL 5 3HG2 VAL 5 7.578 3.844 -1.097 41 H GLN 6 H GLN 6 5.156 7.180 -0.469 42 HA GLN 6 HA GLN 6 4.379 4.848 1.132 43 1HB GLN 6 2HB GLN 6 3.210 7.628 1.208 44 2HB GLN 6 1HB GLN 6 2.670 6.268 2.181 45 1HG GLN 6 2HG GLN 6 4.171 6.745 3.724 46 2HG GLN 6 1HG GLN 6 5.471 6.579 2.544 47 1HE2 GLN 6 1HE2 GLN 6 6.073 8.450 1.320 48 2HE2 GLN 6 2HE2 GLN 6 5.840 10.030 1.979 49 H PHE 7 H PHE 7 2.416 3.863 0.830 50 HA PHE 7 HA PHE 7 1.213 4.289 -1.801 51 1HB PHE 7 2HB PHE 7 1.827 2.009 -1.506 52 2HB PHE 7 1HB PHE 7 1.217 1.979 0.146 53 HD1 PHE 7 1HD PHE 7 -0.625 0.681 0.427 54 HD2 PHE 7 2HD PHE 7 -0.176 2.829 -3.215 55 HE1 PHE 7 1HE PHE 7 -2.778 -0.203 -0.353 56 HE2 PHE 7 2HE PHE 7 -2.328 1.948 -4.006 57 HZ PHE 7 HZ PHE 7 -3.638 0.428 -2.575 58 H LYS 8 H LYS 8 -0.795 5.082 -1.993 59 HA LYS 8 HA LYS 8 -2.378 5.464 0.465 60 1HB LYS 8 2HB LYS 8 -1.576 7.595 -0.268 61 2HB LYS 8 1HB LYS 8 -2.004 7.253 -1.937 62 1HG LYS 8 2HG LYS 8 -4.436 7.089 -0.870 63 2HG LYS 8 1HG LYS 8 -3.694 8.168 0.310 64 1HD LYS 8 2HD LYS 8 -3.959 8.585 -2.661 65 2HD LYS 8 1HD LYS 8 -4.694 9.532 -1.368 66 1HE LYS 8 2HE LYS 8 -2.383 10.162 -0.634 67 2HE LYS 8 1HE LYS 8 -1.768 9.374 -2.089 68 1HZ LYS 8 1HZ LYS 8 -3.856 11.433 -2.331 69 2HZ LYS 8 2HZ LYS 8 -2.662 10.980 -3.440 70 3HZ LYS 8 3HZ LYS 8 -2.250 11.908 -2.088 71 H LEU 9 H LEU 9 -4.473 4.813 0.450 72 HA LEU 9 HA LEU 9 -5.438 2.909 -1.263 73 1HB LEU 9 2HB LEU 9 -6.415 3.526 0.935 74 2HB LEU 9 1HB LEU 9 -7.101 4.961 0.206 75 HG LEU 9 HG LEU 9 -8.751 3.142 0.528 76 1HD1 LEU 9 1HD1 LEU 9 -8.678 3.244 -2.383 77 2HD1 LEU 9 2HD1 LEU 9 -8.484 4.816 -1.608 78 3HD1 LEU 9 3HD1 LEU 9 -9.898 3.828 -1.253 79 1HD2 LEU 9 1HD2 LEU 9 -8.220 1.057 0.082 80 2HD2 LEU 9 2HD2 LEU 9 -6.700 1.562 -0.665 81 3HD2 LEU 9 3HD2 LEU 9 -8.170 1.462 -1.636 82 H SER 10 H SER 10 -5.771 2.967 -3.380 83 HA SER 10 HA SER 10 -7.129 5.301 -4.534 84 1HB SER 10 2HB SER 10 -4.676 5.450 -4.987 85 2HB SER 10 1HB SER 10 -4.777 3.908 -5.835 86 HG SER 10 HG SER 10 -4.931 5.690 -7.263 87 H ASP 11 H ASP 11 -8.924 3.744 -4.241 88 HA ASP 11 HA ASP 11 -9.149 2.040 -6.617 89 1HB ASP 11 2HB ASP 11 -8.727 0.886 -4.242 90 2HB ASP 11 1HB ASP 11 -10.473 1.080 -4.137 91 H ILE 12 H ILE 12 -10.823 3.766 -4.020 92 HA ILE 12 HA ILE 12 -13.158 3.997 -5.799 93 HB ILE 12 HB ILE 12 -14.363 4.518 -3.540 94 1HG1 ILE 12 2HG1 ILE 12 -12.149 4.402 -2.279 95 2HG1 ILE 12 1HG1 ILE 12 -13.486 3.481 -1.599 96 1HG2 ILE 12 1HG2 ILE 12 -14.886 2.104 -3.300 97 2HG2 ILE 12 2HG2 ILE 12 -13.573 1.748 -4.422 98 3HG2 ILE 12 3HG2 ILE 12 -14.967 2.682 -4.964 99 1HD1 ILE 12 1HD1 ILE 12 -10.902 2.578 -2.366 100 2HD1 ILE 12 2HD1 ILE 12 -12.109 1.768 -3.367 101 3HD1 ILE 12 3HD1 ILE 12 -12.215 1.674 -1.610 102 H GLY 13 H GLY 13 -14.581 5.964 -4.833 103 1HA GLY 13 2HA GLY 13 -12.849 8.284 -5.198 104 2HA GLY 13 1HA GLY 13 -14.601 8.269 -5.301 105 H GLU 14 H GLU 14 -13.518 10.309 -3.989 106 HA GLU 14 HA GLU 14 -13.308 9.745 -1.159 107 1HB GLU 14 2HB GLU 14 -12.904 12.097 -2.919 108 2HB GLU 14 1HB GLU 14 -13.393 12.435 -1.264 109 1HG GLU 14 2HG GLU 14 -11.470 10.855 -0.609 110 2HG GLU 14 1HG GLU 14 -10.906 11.108 -2.260 111 H GLY 15 H GLY 15 -15.385 8.901 -0.692 112 1HA GLY 15 2HA GLY 15 -17.216 10.409 0.530 113 2HA GLY 15 1HA GLY 15 -17.706 10.597 -1.147 114 H ILE 16 H ILE 16 -17.096 7.991 -2.038 115 HA ILE 16 HA ILE 16 -19.441 6.613 -1.104 116 HB ILE 16 HB ILE 16 -18.960 4.972 -2.815 117 1HG1 ILE 16 2HG1 ILE 16 -16.617 6.206 -3.994 118 2HG1 ILE 16 1HG1 ILE 16 -16.287 5.672 -2.347 119 1HG2 ILE 16 1HG2 ILE 16 -19.817 6.370 -4.306 120 2HG2 ILE 16 2HG2 ILE 16 -18.246 7.138 -4.531 121 3HG2 ILE 16 3HG2 ILE 16 -19.343 7.724 -3.280 122 1HD1 ILE 16 1HD1 ILE 16 -16.258 4.133 -4.659 123 2HD1 ILE 16 2HD1 ILE 16 -17.727 3.655 -3.807 124 3HD1 ILE 16 3HD1 ILE 16 -16.164 3.563 -2.993 125 H ARG 17 H ARG 17 -18.913 4.006 -1.137 126 HA ARG 17 HA ARG 17 -17.886 3.436 1.388 127 1HB ARG 17 2HB ARG 17 -17.939 1.076 0.683 128 2HB ARG 17 1HB ARG 17 -19.409 1.927 0.227 129 1HG ARG 17 2HG ARG 17 -18.354 2.237 -2.055 130 2HG ARG 17 1HG ARG 17 -17.137 1.069 -1.536 131 1HD ARG 17 2HD ARG 17 -20.025 0.390 -1.235 132 2HD ARG 17 1HD ARG 17 -19.284 0.297 -2.833 133 HE ARG 17 HE ARG 17 -17.825 -1.069 -0.753 134 1HH1 ARG 17 1HH1 ARG 17 -20.305 -1.317 -3.187 135 2HH1 ARG 17 2HH1 ARG 17 -20.167 -3.037 -3.338 136 1HH2 ARG 17 1HH2 ARG 17 -17.635 -3.333 -0.942 137 2HH2 ARG 17 2HH2 ARG 17 -18.650 -4.184 -2.058 138 H GLU 18 H GLU 18 -15.969 2.330 2.030 139 HA GLU 18 HA GLU 18 -13.660 3.037 0.370 140 1HB GLU 18 2HB GLU 18 -13.953 2.368 3.296 141 2HB GLU 18 1HB GLU 18 -12.386 2.518 2.511 142 1HG GLU 18 2HG GLU 18 -12.472 4.680 2.991 143 2HG GLU 18 1HG GLU 18 -13.747 4.818 1.777 144 H VAL 19 H VAL 19 -11.728 1.361 0.686 145 HA VAL 19 HA VAL 19 -12.947 -1.298 0.235 146 HB VAL 19 HB VAL 19 -12.006 -0.319 -1.815 147 1HG1 VAL 19 1HG1 VAL 19 -10.158 0.892 -0.598 148 2HG1 VAL 19 2HG1 VAL 19 -9.702 0.088 -2.100 149 3HG1 VAL 19 3HG1 VAL 19 -9.303 -0.650 -0.548 150 1HG2 VAL 19 1HG2 VAL 19 -11.110 -2.307 -2.588 151 2HG2 VAL 19 2HG2 VAL 19 -12.015 -2.833 -1.169 152 3HG2 VAL 19 3HG2 VAL 19 -10.265 -2.634 -1.075 153 H THR 20 H THR 20 -11.968 -3.140 0.972 154 HA THR 20 HA THR 20 -10.133 -2.749 3.222 155 HB THR 20 HB THR 20 -11.207 -5.448 2.671 156 HG1 THR 20 1HG THR 20 -13.166 -4.672 2.390 157 1HG2 THR 20 1HG2 THR 20 -11.522 -5.467 5.086 158 2HG2 THR 20 2HG2 THR 20 -11.124 -3.754 5.169 159 3HG2 THR 20 3HG2 THR 20 -9.895 -4.919 4.684 160 H VAL 21 H VAL 21 -8.367 -4.217 3.550 161 HA VAL 21 HA VAL 21 -6.941 -4.771 1.096 162 HB VAL 21 HB VAL 21 -6.121 -5.406 3.937 163 1HG1 VAL 21 1HG1 VAL 21 -4.850 -5.753 1.306 164 2HG1 VAL 21 2HG1 VAL 21 -4.579 -6.612 2.822 165 3HG1 VAL 21 3HG1 VAL 21 -3.828 -5.039 2.554 166 1HG2 VAL 21 1HG2 VAL 21 -5.697 -2.961 2.238 167 2HG2 VAL 21 2HG2 VAL 21 -4.680 -3.343 3.627 168 3HG2 VAL 21 3HG2 VAL 21 -6.408 -3.064 3.849 169 H LYS 22 H LYS 22 -6.651 -6.723 0.144 170 HA LYS 22 HA LYS 22 -8.077 -8.990 1.334 171 1HB LYS 22 2HB LYS 22 -8.086 -7.927 -1.249 172 2HB LYS 22 1HB LYS 22 -7.165 -9.419 -1.380 173 1HG LYS 22 2HG LYS 22 -9.789 -9.411 0.044 174 2HG LYS 22 1HG LYS 22 -9.735 -9.451 -1.719 175 1HD LYS 22 2HD LYS 22 -8.631 -11.513 -1.754 176 2HD LYS 22 1HD LYS 22 -8.129 -11.374 -0.068 177 1HE LYS 22 2HE LYS 22 -10.310 -11.812 0.720 178 2HE LYS 22 1HE LYS 22 -11.017 -11.569 -0.877 179 1HZ LYS 22 1HZ LYS 22 -10.791 -13.936 -0.142 180 2HZ LYS 22 2HZ LYS 22 -9.114 -13.759 -0.270 181 3HZ LYS 22 3HZ LYS 22 -10.089 -13.587 -1.641 182 H GLU 23 H GLU 23 -4.947 -8.054 -0.001 183 HA GLU 23 HA GLU 23 -3.843 -10.538 1.128 184 1HB GLU 23 2HB GLU 23 -3.890 -9.809 -1.594 185 2HB GLU 23 1HB GLU 23 -2.230 -9.595 -1.055 186 1HG GLU 23 2HG GLU 23 -2.665 -11.979 0.012 187 2HG GLU 23 1HG GLU 23 -3.849 -12.064 -1.291 188 H TRP 24 H TRP 24 -2.363 -10.212 2.612 189 HA TRP 24 HA TRP 24 -0.764 -7.736 2.541 190 1HB TRP 24 2HB TRP 24 -2.379 -8.916 4.712 191 2HB TRP 24 1HB TRP 24 -0.763 -8.409 5.189 192 HD1 TRP 24 HD TRP 24 -4.113 -7.101 5.088 193 HE1 TRP 24 1HE TRP 24 -4.145 -4.528 5.082 194 HE3 TRP 24 3HE TRP 24 0.772 -6.238 3.864 195 HZ2 TRP 24 2HZ TRP 24 -2.335 -2.412 4.620 196 HZ3 TRP 24 3HZ TRP 24 1.542 -3.910 3.658 197 HH2 TRP 24 HH TRP 24 0.020 -2.038 4.028 198 H TYR 25 H TYR 25 1.303 -8.234 2.124 199 HA TYR 25 HA TYR 25 2.377 -10.731 3.274 200 1HB TYR 25 2HB TYR 25 2.238 -9.902 0.527 201 2HB TYR 25 1HB TYR 25 3.924 -10.049 1.011 202 HD1 TYR 25 1HD TYR 25 0.701 -11.888 0.912 203 HD2 TYR 25 2HD TYR 25 4.937 -12.158 1.194 204 HE1 TYR 25 1HE TYR 25 0.557 -14.328 0.640 205 HE2 TYR 25 2HE TYR 25 4.806 -14.597 0.921 206 HH TYR 25 HH TYR 25 3.461 -16.372 0.725 207 H VAL 26 H VAL 26 2.440 -7.887 4.231 208 HA VAL 26 HA VAL 26 5.281 -7.845 4.817 209 HB VAL 26 HB VAL 26 5.698 -5.598 4.109 210 1HG1 VAL 26 1HG1 VAL 26 5.976 -7.290 2.397 211 2HG1 VAL 26 2HG1 VAL 26 5.410 -5.780 1.685 212 3HG1 VAL 26 3HG1 VAL 26 4.287 -7.113 1.921 213 1HG2 VAL 26 1HG2 VAL 26 3.390 -4.750 4.617 214 2HG2 VAL 26 2HG2 VAL 26 2.870 -5.430 3.076 215 3HG2 VAL 26 3HG2 VAL 26 4.082 -4.149 3.112 216 H LYS 27 H LYS 27 5.823 -6.253 6.525 217 HA LYS 27 HA LYS 27 3.550 -5.292 8.085 218 1HB LYS 27 2HB LYS 27 5.205 -7.596 8.790 219 2HB LYS 27 1HB LYS 27 5.138 -6.378 10.056 220 1HG LYS 27 2HG LYS 27 2.689 -7.515 8.735 221 2HG LYS 27 1HG LYS 27 3.412 -8.192 10.196 222 1HD LYS 27 2HD LYS 27 3.132 -6.007 11.310 223 2HD LYS 27 1HD LYS 27 2.339 -5.391 9.858 224 1HE LYS 27 2HE LYS 27 0.601 -7.110 10.095 225 2HE LYS 27 1HE LYS 27 1.387 -7.691 11.562 226 1HZ LYS 27 1HZ LYS 27 0.934 -4.904 11.731 227 2HZ LYS 27 2HZ LYS 27 0.362 -6.138 12.737 228 3HZ LYS 27 3HZ LYS 27 -0.514 -5.697 11.359 229 H GLU 28 H GLU 28 4.368 -4.145 10.102 230 HA GLU 28 HA GLU 28 5.938 -1.964 9.352 231 1HB GLU 28 2HB GLU 28 5.769 -2.748 12.236 232 2HB GLU 28 1HB GLU 28 5.649 -1.154 11.510 233 1HG GLU 28 2HG GLU 28 3.442 -2.145 10.489 234 2HG GLU 28 1HG GLU 28 3.570 -3.244 11.861 235 H GLY 29 H GLY 29 8.082 -1.469 9.491 236 1HA GLY 29 2HA GLY 29 10.328 -1.705 9.946 237 2HA GLY 29 1HA GLY 29 9.902 -2.906 11.154 238 H ASP 30 H ASP 30 8.498 -3.839 8.287 239 HA ASP 30 HA ASP 30 10.660 -5.761 7.837 240 1HB ASP 30 2HB ASP 30 7.795 -5.931 7.804 241 2HB ASP 30 1HB ASP 30 8.429 -6.427 6.238 242 H THR 31 H THR 31 11.333 -6.318 5.710 243 HA THR 31 HA THR 31 11.296 -4.011 3.907 244 HB THR 31 HB THR 31 13.075 -6.436 3.678 245 HG1 THR 31 1HG THR 31 13.386 -4.070 5.218 246 1HG2 THR 31 1HG2 THR 31 14.468 -5.018 2.340 247 2HG2 THR 31 2HG2 THR 31 13.487 -3.604 2.724 248 3HG2 THR 31 3HG2 THR 31 12.822 -4.892 1.720 249 H VAL 32 H VAL 32 10.977 -4.274 1.665 250 HA VAL 32 HA VAL 32 9.298 -6.581 0.965 251 HB VAL 32 HB VAL 32 8.837 -4.735 -1.019 252 1HG1 VAL 32 1HG1 VAL 32 6.829 -5.436 -0.431 253 2HG1 VAL 32 2HG1 VAL 32 6.866 -4.309 0.925 254 3HG1 VAL 32 3HG1 VAL 32 7.433 -5.965 1.139 255 1HG2 VAL 32 1HG2 VAL 32 9.986 -2.938 0.109 256 2HG2 VAL 32 2HG2 VAL 32 9.068 -3.232 1.586 257 3HG2 VAL 32 3HG2 VAL 32 8.250 -2.630 0.146 258 H SER 33 H SER 33 9.365 -7.272 -1.296 259 HA SER 33 HA SER 33 11.935 -6.752 -2.619 260 1HB SER 33 2HB SER 33 11.410 -9.104 -1.279 261 2HB SER 33 1HB SER 33 10.971 -9.501 -2.941 262 HG SER 33 HG SER 33 13.063 -8.696 -3.551 263 H GLN 34 H GLN 34 11.822 -7.953 -4.894 264 HA GLN 34 HA GLN 34 9.742 -6.649 -6.327 265 1HB GLN 34 2HB GLN 34 11.589 -8.787 -7.386 266 2HB GLN 34 1HB GLN 34 10.761 -7.537 -8.305 267 1HG GLN 34 2HG GLN 34 12.110 -5.837 -7.106 268 2HG GLN 34 1HG GLN 34 13.002 -7.149 -6.338 269 1HE2 GLN 34 1HE2 GLN 34 12.694 -5.179 -9.081 270 2HE2 GLN 34 2HE2 GLN 34 13.911 -5.927 -10.052 271 H PHE 35 H PHE 35 10.087 -9.796 -4.957 272 HA PHE 35 HA PHE 35 7.808 -10.810 -6.495 273 1HB PHE 35 2HB PHE 35 10.128 -12.028 -5.202 274 2HB PHE 35 1HB PHE 35 8.621 -12.859 -4.831 275 HD1 PHE 35 1HD PHE 35 10.011 -11.228 -7.890 276 HD2 PHE 35 2HD PHE 35 8.355 -14.728 -6.124 277 HE1 PHE 35 1HE PHE 35 10.116 -12.371 -10.066 278 HE2 PHE 35 2HE PHE 35 8.456 -15.877 -8.297 279 HZ PHE 35 HZ PHE 35 9.339 -14.699 -10.272 280 H ASP 36 H ASP 36 8.656 -9.599 -3.387 281 HA ASP 36 HA ASP 36 6.243 -10.713 -2.163 282 1HB ASP 36 2HB ASP 36 8.832 -9.825 -1.181 283 2HB ASP 36 1HB ASP 36 7.506 -9.116 -0.265 284 H SER 37 H SER 37 4.505 -9.564 -2.797 285 HA SER 37 HA SER 37 4.510 -6.769 -3.279 286 1HB SER 37 2HB SER 37 1.917 -7.182 -3.028 287 2HB SER 37 1HB SER 37 2.792 -7.832 -4.414 288 HG SER 37 HG SER 37 2.211 -9.253 -2.025 289 H ILE 38 H ILE 38 3.228 -5.162 -2.085 290 HA ILE 38 HA ILE 38 3.743 -5.389 0.768 291 HB ILE 38 HB ILE 38 2.558 -3.055 -0.735 292 1HG1 ILE 38 2HG1 ILE 38 5.380 -3.958 -0.284 293 2HG1 ILE 38 1HG1 ILE 38 4.654 -3.261 -1.724 294 1HG2 ILE 38 1HG2 ILE 38 2.556 -1.914 1.202 295 2HG2 ILE 38 2HG2 ILE 38 4.087 -2.612 1.732 296 3HG2 ILE 38 3HG2 ILE 38 2.585 -3.510 1.952 297 1HD1 ILE 38 1HD1 ILE 38 5.237 -1.709 0.785 298 2HD1 ILE 38 2HD1 ILE 38 4.735 -1.070 -0.782 299 3HD1 ILE 38 3HD1 ILE 38 6.325 -1.814 -0.599 300 H CYS 39 H CYS 39 0.931 -4.091 -0.988 301 HA CYS 39 HA CYS 39 -0.830 -5.744 0.665 302 1HB CYS 39 2HB CYS 39 -2.317 -3.566 0.757 303 2HB CYS 39 1HB CYS 39 -1.064 -3.853 1.956 304 HG CYS 39 HG CYS 39 -0.343 -1.385 1.625 305 H GLU 40 H GLU 40 -3.009 -5.920 -0.190 306 HA GLU 40 HA GLU 40 -3.324 -5.070 -2.974 307 1HB GLU 40 2HB GLU 40 -3.420 -7.905 -1.965 308 2HB GLU 40 1HB GLU 40 -4.252 -7.422 -3.437 309 1HG GLU 40 2HG GLU 40 -2.367 -7.381 -4.623 310 2HG GLU 40 1HG GLU 40 -1.473 -6.556 -3.349 311 H VAL 41 H VAL 41 -5.275 -4.210 -3.292 312 HA VAL 41 HA VAL 41 -7.437 -4.981 -1.443 313 HB VAL 41 HB VAL 41 -8.362 -2.777 -1.568 314 1HG1 VAL 41 1HG1 VAL 41 -6.840 -1.650 -0.258 315 2HG1 VAL 41 2HG1 VAL 41 -5.459 -2.179 -1.220 316 3HG1 VAL 41 3HG1 VAL 41 -6.259 -3.310 -0.130 317 1HG2 VAL 41 1HG2 VAL 41 -7.234 -0.959 -2.832 318 2HG2 VAL 41 2HG2 VAL 41 -7.935 -2.207 -3.863 319 3HG2 VAL 41 3HG2 VAL 41 -6.195 -2.174 -3.578 320 H GLN 42 H GLN 42 -9.468 -5.363 -2.272 321 HA GLN 42 HA GLN 42 -9.696 -5.321 -5.209 322 1HB GLN 42 2HB GLN 42 -10.028 -7.553 -3.320 323 2HB GLN 42 1HB GLN 42 -11.326 -7.391 -4.497 324 1HG GLN 42 2HG GLN 42 -9.862 -7.681 -6.310 325 2HG GLN 42 1HG GLN 42 -8.437 -7.428 -5.305 326 1HE2 GLN 42 1HE2 GLN 42 -7.463 -9.348 -5.801 327 2HE2 GLN 42 2HE2 GLN 42 -8.078 -10.883 -5.300 328 H SER 43 H SER 43 -11.551 -4.553 -6.049 329 HA SER 43 HA SER 43 -13.720 -3.877 -4.174 330 1HB SER 43 2HB SER 43 -12.272 -1.933 -5.079 331 2HB SER 43 1HB SER 43 -13.098 -2.221 -6.611 332 HG SER 43 HG SER 43 -14.269 -1.534 -4.121 333 H ASP 44 H ASP 44 -15.856 -3.834 -5.066 334 HA ASP 44 HA ASP 44 -16.516 -6.015 -6.633 335 1HB ASP 44 2HB ASP 44 -18.035 -4.622 -5.128 336 2HB ASP 44 1HB ASP 44 -18.205 -3.521 -6.493 337 H LYS 45 H LYS 45 -15.406 -2.905 -7.626 338 HA LYS 45 HA LYS 45 -16.415 -3.180 -10.327 339 1HB LYS 45 2HB LYS 45 -15.554 -1.015 -10.735 340 2HB LYS 45 1HB LYS 45 -16.201 -0.972 -9.102 341 1HG LYS 45 2HG LYS 45 -13.915 -1.281 -8.223 342 2HG LYS 45 1HG LYS 45 -13.302 -1.214 -9.876 343 1HD LYS 45 2HD LYS 45 -13.100 0.988 -9.513 344 2HD LYS 45 1HD LYS 45 -14.850 1.039 -9.738 345 1HE LYS 45 2HE LYS 45 -13.474 0.646 -7.084 346 2HE LYS 45 1HE LYS 45 -14.070 2.194 -7.681 347 1HZ LYS 45 1HZ LYS 45 -16.273 0.833 -7.934 348 2HZ LYS 45 2HZ LYS 45 -15.840 1.506 -6.445 349 3HZ LYS 45 3HZ LYS 45 -15.573 -0.138 -6.738 350 H ALA 46 H ALA 46 -13.194 -3.076 -8.781 351 HA ALA 46 HA ALA 46 -12.199 -4.894 -10.818 352 1HB ALA 46 1HB ALA 46 -10.205 -3.381 -11.214 353 2HB ALA 46 2HB ALA 46 -11.157 -2.097 -10.469 354 3HB ALA 46 3HB ALA 46 -11.731 -2.877 -11.943 355 H SER 47 H SER 47 -9.993 -5.661 -10.341 356 HA SER 47 HA SER 47 -9.537 -5.747 -7.436 357 1HB SER 47 2HB SER 47 -8.456 -7.685 -9.488 358 2HB SER 47 1HB SER 47 -8.520 -7.892 -7.738 359 HG SER 47 HG SER 47 -10.286 -8.719 -9.433 360 H VAL 48 H VAL 48 -7.902 -4.542 -6.725 361 HA VAL 48 HA VAL 48 -5.684 -3.963 -8.571 362 HB VAL 48 HB VAL 48 -6.314 -2.399 -6.077 363 1HG1 VAL 48 1HG1 VAL 48 -4.062 -2.243 -7.213 364 2HG1 VAL 48 2HG1 VAL 48 -4.933 -0.723 -7.008 365 3HG1 VAL 48 3HG1 VAL 48 -4.903 -1.517 -8.583 366 1HG2 VAL 48 1HG2 VAL 48 -7.419 -2.055 -8.856 367 2HG2 VAL 48 2HG2 VAL 48 -7.385 -0.751 -7.670 368 3HG2 VAL 48 3HG2 VAL 48 -8.308 -2.217 -7.342 369 H THR 49 H THR 49 -3.657 -4.493 -8.075 370 HA THR 49 HA THR 49 -3.096 -5.541 -5.378 371 HB THR 49 HB THR 49 -1.557 -7.182 -6.388 372 HG1 THR 49 1HG THR 49 -1.364 -7.365 -8.570 373 1HG2 THR 49 1HG2 THR 49 -3.301 -8.564 -6.269 374 2HG2 THR 49 2HG2 THR 49 -3.759 -8.103 -7.908 375 3HG2 THR 49 3HG2 THR 49 -4.411 -7.219 -6.529 376 H ILE 50 H ILE 50 -1.399 -4.601 -4.392 377 HA ILE 50 HA ILE 50 0.223 -2.754 -5.982 378 HB ILE 50 HB ILE 50 0.130 -2.943 -2.978 379 1HG1 ILE 50 2HG1 ILE 50 -2.119 -2.486 -3.946 380 2HG1 ILE 50 1HG1 ILE 50 -1.486 -1.142 -3.002 381 1HG2 ILE 50 1HG2 ILE 50 1.822 -1.510 -3.122 382 2HG2 ILE 50 2HG2 ILE 50 0.686 -0.344 -3.803 383 3HG2 ILE 50 3HG2 ILE 50 1.636 -1.377 -4.871 384 1HD1 ILE 50 1HD1 ILE 50 -1.874 -1.373 -5.946 385 2HD1 ILE 50 2HD1 ILE 50 -0.655 -0.272 -5.304 386 3HD1 ILE 50 3HD1 ILE 50 -2.347 -0.078 -4.846 387 H THR 51 H THR 51 1.966 -3.672 -6.798 388 HA THR 51 HA THR 51 3.445 -5.684 -5.308 389 HB THR 51 HB THR 51 4.908 -5.070 -7.605 390 HG1 THR 51 1HG THR 51 3.425 -4.025 -8.750 391 1HG2 THR 51 1HG2 THR 51 2.809 -7.182 -7.712 392 2HG2 THR 51 2HG2 THR 51 4.047 -7.291 -6.460 393 3HG2 THR 51 3HG2 THR 51 4.513 -7.261 -8.161 394 H SER 52 H SER 52 5.999 -5.326 -5.734 395 HA SER 52 HA SER 52 6.560 -2.734 -4.480 396 1HB SER 52 2HB SER 52 7.217 -5.097 -3.490 397 2HB SER 52 1HB SER 52 8.591 -4.925 -4.582 398 HG SER 52 HG SER 52 9.318 -3.910 -2.844 399 H ARG 53 H ARG 53 7.809 -4.945 -6.959 400 HA ARG 53 HA ARG 53 9.000 -4.610 -8.852 401 1HB ARG 53 2HB ARG 53 8.541 -2.762 -10.139 402 2HB ARG 53 1HB ARG 53 7.199 -2.711 -9.012 403 1HG ARG 53 2HG ARG 53 7.741 -0.643 -8.455 404 2HG ARG 53 1HG ARG 53 9.327 -1.176 -7.907 405 1HD ARG 53 2HD ARG 53 9.934 0.325 -9.525 406 2HD ARG 53 1HD ARG 53 9.865 -1.158 -10.476 407 HE ARG 53 HE ARG 53 7.405 0.353 -10.408 408 1HH1 ARG 53 1HH1 ARG 53 10.431 -0.183 -12.051 409 2HH1 ARG 53 2HH1 ARG 53 9.873 0.461 -13.559 410 1HH2 ARG 53 1HH2 ARG 53 6.665 1.206 -12.389 411 2HH2 ARG 53 2HH2 ARG 53 7.735 1.252 -13.750 412 H TYR 54 H TYR 54 10.032 -3.884 -5.962 413 HA TYR 54 HA TYR 54 12.739 -3.756 -6.584 414 1HB TYR 54 2HB TYR 54 11.451 -1.208 -6.658 415 2HB TYR 54 1HB TYR 54 12.472 -1.256 -5.224 416 HD1 TYR 54 1HD TYR 54 14.579 -3.144 -6.417 417 HD2 TYR 54 2HD TYR 54 12.731 0.394 -7.890 418 HE1 TYR 54 1HE TYR 54 16.555 -2.700 -7.809 419 HE2 TYR 54 2HE TYR 54 14.704 0.848 -9.287 420 HH TYR 54 HH TYR 54 17.165 -1.468 -9.802 421 H ASP 55 H ASP 55 14.025 -3.230 -4.468 422 HA ASP 55 HA ASP 55 12.502 -4.468 -2.296 423 1HB ASP 55 2HB ASP 55 15.458 -4.026 -2.141 424 2HB ASP 55 1HB ASP 55 14.475 -5.302 -1.427 425 H GLY 56 H GLY 56 11.761 -3.270 -0.694 426 1HA GLY 56 2HA GLY 56 13.245 -0.842 0.050 427 2HA GLY 56 1HA GLY 56 11.522 -0.738 -0.276 428 H VAL 57 H VAL 57 12.532 0.091 2.135 429 HA VAL 57 HA VAL 57 11.930 -2.104 3.996 430 HB VAL 57 HB VAL 57 13.112 0.588 4.669 431 1HG1 VAL 57 1HG1 VAL 57 13.310 -0.125 6.805 432 2HG1 VAL 57 2HG1 VAL 57 13.587 -1.802 6.335 433 3HG1 VAL 57 3HG1 VAL 57 11.948 -1.150 6.354 434 1HG2 VAL 57 1HG2 VAL 57 14.364 -1.926 3.693 435 2HG2 VAL 57 2HG2 VAL 57 15.205 -1.005 4.940 436 3HG2 VAL 57 3HG2 VAL 57 14.816 -0.247 3.395 437 H ILE 58 H ILE 58 10.014 -2.200 4.937 438 HA ILE 58 HA ILE 58 8.286 0.175 4.958 439 HB ILE 58 HB ILE 58 7.459 -2.636 5.682 440 1HG1 ILE 58 2HG1 ILE 58 7.214 -1.357 2.961 441 2HG1 ILE 58 1HG1 ILE 58 8.517 -2.462 3.386 442 1HG2 ILE 58 1HG2 ILE 58 5.274 -1.584 4.641 443 2HG2 ILE 58 2HG2 ILE 58 6.058 -0.073 5.108 444 3HG2 ILE 58 3HG2 ILE 58 5.711 -1.299 6.327 445 1HD1 ILE 58 1HD1 ILE 58 6.082 -3.700 4.099 446 2HD1 ILE 58 2HD1 ILE 58 7.227 -4.165 2.841 447 3HD1 ILE 58 3HD1 ILE 58 5.905 -3.059 2.466 448 H LYS 59 H LYS 59 7.989 1.273 6.781 449 HA LYS 59 HA LYS 59 9.106 0.165 9.238 450 1HB LYS 59 2HB LYS 59 9.779 2.414 8.317 451 2HB LYS 59 1HB LYS 59 8.182 2.989 8.772 452 1HG LYS 59 2HG LYS 59 8.841 2.021 11.116 453 2HG LYS 59 1HG LYS 59 10.481 2.215 10.492 454 1HD LYS 59 2HD LYS 59 9.828 4.593 9.906 455 2HD LYS 59 1HD LYS 59 8.373 4.330 10.870 456 1HE LYS 59 2HE LYS 59 10.279 3.465 12.586 457 2HE LYS 59 1HE LYS 59 11.168 4.714 11.715 458 1HZ LYS 59 1HZ LYS 59 9.635 5.210 13.824 459 2HZ LYS 59 2HZ LYS 59 8.494 5.432 12.596 460 3HZ LYS 59 3HZ LYS 59 9.917 6.345 12.601 461 H LYS 60 H LYS 60 5.995 1.555 8.126 462 HA LYS 60 HA LYS 60 4.770 0.241 10.420 463 1HB LYS 60 2HB LYS 60 3.731 2.163 11.323 464 2HB LYS 60 1HB LYS 60 5.428 2.570 11.112 465 1HG LYS 60 2HG LYS 60 3.204 3.353 9.238 466 2HG LYS 60 1HG LYS 60 3.942 4.400 10.452 467 1HD LYS 60 2HD LYS 60 6.111 3.445 9.054 468 2HD LYS 60 1HD LYS 60 4.888 3.652 7.796 469 1HE LYS 60 2HE LYS 60 6.204 5.681 8.057 470 2HE LYS 60 1HE LYS 60 4.531 5.960 8.538 471 1HZ LYS 60 1HZ LYS 60 6.669 6.636 10.009 472 2HZ LYS 60 2HZ LYS 60 6.279 5.136 10.685 473 3HZ LYS 60 3HZ LYS 60 5.123 6.369 10.643 474 H LEU 61 H LEU 61 2.736 -0.393 10.164 475 HA LEU 61 HA LEU 61 1.182 0.535 7.877 476 1HB LEU 61 2HB LEU 61 1.567 -2.382 8.550 477 2HB LEU 61 1HB LEU 61 0.571 -1.735 7.257 478 HG LEU 61 HG LEU 61 2.959 -0.668 6.576 479 1HD1 LEU 61 1HD1 LEU 61 4.483 -2.787 6.805 480 2HD1 LEU 61 2HD1 LEU 61 3.504 -3.065 8.246 481 3HD1 LEU 61 3HD1 LEU 61 4.422 -1.568 8.078 482 1HD2 LEU 61 1HD2 LEU 61 1.679 -3.285 5.880 483 2HD2 LEU 61 2HD2 LEU 61 3.175 -2.763 5.105 484 3HD2 LEU 61 3HD2 LEU 61 1.716 -1.783 4.956 485 H TYR 62 H TYR 62 -0.975 0.780 8.361 486 HA TYR 62 HA TYR 62 -1.768 -0.045 11.073 487 1HB TYR 62 2HB TYR 62 -1.643 2.409 10.560 488 2HB TYR 62 1HB TYR 62 -2.971 2.179 9.428 489 HD1 TYR 62 1HD TYR 62 -2.033 2.593 12.889 490 HD2 TYR 62 2HD TYR 62 -5.203 1.446 10.295 491 HE1 TYR 62 1HE TYR 62 -3.640 2.906 14.725 492 HE2 TYR 62 2HE TYR 62 -6.820 1.756 12.123 493 HH TYR 62 HH TYR 62 -6.751 3.316 14.394 494 H TYR 63 H TYR 63 -2.923 0.093 7.723 495 HA TYR 63 HA TYR 63 -5.418 -1.181 8.463 496 1HB TYR 63 2HB TYR 63 -4.358 -0.450 5.729 497 2HB TYR 63 1HB TYR 63 -5.991 -0.999 6.084 498 HD1 TYR 63 1HD TYR 63 -3.583 1.716 6.951 499 HD2 TYR 63 2HD TYR 63 -7.658 0.567 6.543 500 HE1 TYR 63 1HE TYR 63 -4.268 4.039 7.349 501 HE2 TYR 63 2HE TYR 63 -8.354 2.894 6.944 502 HH TYR 63 HH TYR 63 -7.036 5.002 8.303 503 H ASN 64 H ASN 64 -5.950 -3.254 8.234 504 HA ASN 64 HA ASN 64 -3.937 -5.085 7.113 505 1HB ASN 64 2HB ASN 64 -5.951 -5.544 9.321 506 2HB ASN 64 1HB ASN 64 -4.903 -6.794 8.653 507 1HD2 ASN 64 1HD2 ASN 64 -5.043 -5.868 11.369 508 2HD2 ASN 64 2HD2 ASN 64 -3.480 -5.252 11.772 509 H LEU 65 H LEU 65 -5.260 -7.357 6.912 510 HA LEU 65 HA LEU 65 -6.628 -7.263 4.533 511 1HB LEU 65 2HB LEU 65 -6.561 -9.275 6.759 512 2HB LEU 65 1HB LEU 65 -7.446 -9.568 5.282 513 HG LEU 65 HG LEU 65 -4.870 -8.778 4.485 514 1HD1 LEU 65 1HD1 LEU 65 -3.567 -9.297 6.221 515 2HD1 LEU 65 2HD1 LEU 65 -3.899 -10.976 5.795 516 3HD1 LEU 65 3HD1 LEU 65 -4.856 -10.177 7.043 517 1HD2 LEU 65 1HD2 LEU 65 -5.464 -11.655 4.564 518 2HD2 LEU 65 2HD2 LEU 65 -5.038 -10.618 3.202 519 3HD2 LEU 65 3HD2 LEU 65 -6.697 -10.652 3.800 520 H ASP 66 H ASP 66 -7.853 -6.717 7.743 521 HA ASP 66 HA ASP 66 -10.616 -7.000 6.812 522 1HB ASP 66 2HB ASP 66 -9.292 -7.046 9.472 523 2HB ASP 66 1HB ASP 66 -10.948 -6.450 9.402 524 H ASP 67 H ASP 67 -8.327 -4.555 7.774 525 HA ASP 67 HA ASP 67 -10.286 -2.537 8.284 526 1HB ASP 67 2HB ASP 67 -7.371 -2.122 7.631 527 2HB ASP 67 1HB ASP 67 -8.446 -1.002 8.459 528 H ILE 68 H ILE 68 -10.737 -0.684 7.091 529 HA ILE 68 HA ILE 68 -10.458 -1.001 4.172 530 HB ILE 68 HB ILE 68 -12.391 0.953 5.293 531 1HG1 ILE 68 2HG1 ILE 68 -12.684 -1.131 6.683 532 2HG1 ILE 68 1HG1 ILE 68 -14.103 -0.659 5.750 533 1HG2 ILE 68 1HG2 ILE 68 -13.600 0.491 3.330 534 2HG2 ILE 68 2HG2 ILE 68 -12.765 -1.038 3.080 535 3HG2 ILE 68 3HG2 ILE 68 -11.902 0.486 2.844 536 1HD1 ILE 68 1HD1 ILE 68 -12.333 -2.489 4.348 537 2HD1 ILE 68 2HD1 ILE 68 -14.082 -2.544 4.563 538 3HD1 ILE 68 3HD1 ILE 68 -13.016 -3.154 5.830 539 H ALA 69 H ALA 69 -9.708 0.668 2.948 540 HA ALA 69 HA ALA 69 -8.548 2.903 4.461 541 1HB ALA 69 1HB ALA 69 -7.700 1.927 1.743 542 2HB ALA 69 2HB ALA 69 -6.964 1.402 3.255 543 3HB ALA 69 3HB ALA 69 -6.871 3.095 2.769 544 H TYR 70 H TYR 70 -8.778 4.979 3.755 545 HA TYR 70 HA TYR 70 -10.990 5.460 1.882 546 1HB TYR 70 2HB TYR 70 -11.008 6.272 4.351 547 2HB TYR 70 1HB TYR 70 -9.866 7.491 3.801 548 HD1 TYR 70 1HD TYR 70 -13.256 6.787 4.325 549 HD2 TYR 70 2HD TYR 70 -10.657 8.834 1.656 550 HE1 TYR 70 1HE TYR 70 -15.131 8.199 3.595 551 HE2 TYR 70 2HE TYR 70 -12.522 10.253 0.916 552 HH TYR 70 HH TYR 70 -14.704 11.023 1.775 553 H VAL 71 H VAL 71 -10.777 7.051 0.260 554 HA VAL 71 HA VAL 71 -8.101 7.327 -0.763 555 HB VAL 71 HB VAL 71 -10.577 8.626 -1.885 556 1HG1 VAL 71 1HG1 VAL 71 -9.346 9.107 -3.698 557 2HG1 VAL 71 2HG1 VAL 71 -8.509 7.556 -3.663 558 3HG1 VAL 71 3HG1 VAL 71 -7.967 8.874 -2.624 559 1HG2 VAL 71 1HG2 VAL 71 -9.864 6.169 -3.196 560 2HG2 VAL 71 2HG2 VAL 71 -11.410 6.659 -2.504 561 3HG2 VAL 71 3HG2 VAL 71 -10.196 5.879 -1.489 562 H GLY 72 H GLY 72 -6.757 9.000 -0.500 563 1HA GLY 72 2HA GLY 72 -6.576 11.473 -0.653 564 2HA GLY 72 1HA GLY 72 -7.911 11.537 0.484 565 H LYS 73 H LYS 73 -5.857 9.006 1.310 566 HA LYS 73 HA LYS 73 -4.005 10.632 2.835 567 1HB LYS 73 2HB LYS 73 -6.418 9.643 4.000 568 2HB LYS 73 1HB LYS 73 -5.059 8.791 4.722 569 1HG LYS 73 2HG LYS 73 -4.089 11.248 4.899 570 2HG LYS 73 1HG LYS 73 -5.806 11.656 4.872 571 1HD LYS 73 2HD LYS 73 -5.892 11.181 7.042 572 2HD LYS 73 1HD LYS 73 -5.560 9.495 6.640 573 1HE LYS 73 2HE LYS 73 -3.805 9.852 8.032 574 2HE LYS 73 1HE LYS 73 -3.069 10.435 6.540 575 1HZ LYS 73 1HZ LYS 73 -4.378 12.118 8.608 576 2HZ LYS 73 2HZ LYS 73 -3.709 12.690 7.164 577 3HZ LYS 73 3HZ LYS 73 -2.712 11.990 8.338 578 HA PRO 74 HA PRO 74 -1.277 7.313 1.656 579 1HB PRO 74 2HB PRO 74 -0.049 8.076 4.280 580 2HB PRO 74 1HB PRO 74 0.731 7.777 2.720 581 1HG PRO 74 2HG PRO 74 0.359 10.262 3.531 582 2HG PRO 74 1HG PRO 74 0.042 9.824 1.839 583 1HD PRO 74 2HD PRO 74 -1.891 10.345 4.056 584 2HD PRO 74 1HD PRO 74 -2.022 10.731 2.328 585 H LEU 75 H LEU 75 -0.471 5.266 2.506 586 HA LEU 75 HA LEU 75 -2.193 4.188 4.645 587 1HB LEU 75 2HB LEU 75 -2.680 3.424 2.296 588 2HB LEU 75 1HB LEU 75 -1.089 2.705 2.261 589 HG LEU 75 HG LEU 75 -2.033 0.817 2.949 590 1HD1 LEU 75 1HD1 LEU 75 -2.516 2.364 5.479 591 2HD1 LEU 75 2HD1 LEU 75 -1.175 1.281 5.108 592 3HD1 LEU 75 3HD1 LEU 75 -2.798 0.632 5.326 593 1HD2 LEU 75 1HD2 LEU 75 -4.197 2.064 2.237 594 2HD2 LEU 75 2HD2 LEU 75 -4.531 2.073 3.970 595 3HD2 LEU 75 3HD2 LEU 75 -4.298 0.543 3.124 596 H VAL 76 H VAL 76 0.898 3.685 2.939 597 HA VAL 76 HA VAL 76 2.133 2.999 5.516 598 HB VAL 76 HB VAL 76 1.566 0.845 4.570 599 1HG1 VAL 76 1HG1 VAL 76 1.376 0.680 2.359 600 2HG1 VAL 76 2HG1 VAL 76 3.134 0.563 2.295 601 3HG1 VAL 76 3HG1 VAL 76 2.347 2.129 2.099 602 1HG2 VAL 76 1HG2 VAL 76 3.668 -0.196 4.707 603 2HG2 VAL 76 2HG2 VAL 76 3.835 1.273 5.667 604 3HG2 VAL 76 3HG2 VAL 76 4.502 1.206 4.037 605 H ASP 77 H ASP 77 4.495 3.085 5.480 606 HA ASP 77 HA ASP 77 5.521 4.805 3.322 607 1HB ASP 77 2HB ASP 77 6.718 4.819 6.063 608 2HB ASP 77 1HB ASP 77 6.743 6.081 4.837 609 H ILE 78 H ILE 78 7.014 3.857 2.132 610 HA ILE 78 HA ILE 78 8.819 1.898 3.384 611 HB ILE 78 HB ILE 78 7.957 1.508 0.549 612 1HG1 ILE 78 2HG1 ILE 78 6.294 -0.219 1.688 613 2HG1 ILE 78 1HG1 ILE 78 6.320 0.970 2.988 614 1HG2 ILE 78 1HG2 ILE 78 8.434 -0.844 1.092 615 2HG2 ILE 78 2HG2 ILE 78 8.851 -0.359 2.735 616 3HG2 ILE 78 3HG2 ILE 78 9.818 0.212 1.377 617 1HD1 ILE 78 1HD1 ILE 78 4.750 1.000 0.689 618 2HD1 ILE 78 2HD1 ILE 78 5.954 2.268 0.457 619 3HD1 ILE 78 3HD1 ILE 78 4.924 2.280 1.889 620 H GLU 79 H GLU 79 10.930 1.782 2.473 621 HA GLU 79 HA GLU 79 11.617 4.181 0.930 622 1HB GLU 79 2HB GLU 79 12.858 2.817 3.103 623 2HB GLU 79 1HB GLU 79 13.939 2.723 1.719 624 1HG GLU 79 2HG GLU 79 14.137 5.041 1.565 625 2HG GLU 79 1HG GLU 79 12.708 5.318 2.559 626 H THR 80 H THR 80 11.706 3.927 -1.168 627 HA THR 80 HA THR 80 13.121 1.641 -2.309 628 HB THR 80 HB THR 80 11.240 1.730 -4.163 629 HG1 THR 80 1HG THR 80 9.616 2.923 -3.533 630 1HG2 THR 80 1HG2 THR 80 10.266 0.263 -1.799 631 2HG2 THR 80 2HG2 THR 80 11.937 -0.062 -2.262 632 3HG2 THR 80 3HG2 THR 80 10.635 -0.318 -3.423 633 H GLU 81 H GLU 81 13.807 2.021 -4.539 634 HA GLU 81 HA GLU 81 14.870 4.571 -4.944 635 1HB GLU 81 2HB GLU 81 14.981 2.072 -6.244 636 2HB GLU 81 1HB GLU 81 14.456 3.226 -7.462 637 1HG GLU 81 2HG GLU 81 16.447 4.260 -7.534 638 2HG GLU 81 1HG GLU 81 16.711 4.103 -5.798 639 H ALA 82 H ALA 82 14.340 6.189 -6.528 640 HA ALA 82 HA ALA 82 11.905 7.308 -6.440 641 1HB ALA 82 1HB ALA 82 12.553 8.725 -8.111 642 2HB ALA 82 2HB ALA 82 13.238 7.432 -9.095 643 3HB ALA 82 3HB ALA 82 14.111 8.019 -7.679 644 H LEU 83 H LEU 83 9.930 6.578 -6.826 645 HA LEU 83 HA LEU 83 9.504 4.832 -9.160 646 1HB LEU 83 2HB LEU 83 8.676 4.588 -6.383 647 2HB LEU 83 1HB LEU 83 7.319 4.476 -7.489 648 HG LEU 83 HG LEU 83 8.538 2.679 -8.720 649 1HD1 LEU 83 1HD1 LEU 83 10.801 3.384 -7.919 650 2HD1 LEU 83 2HD1 LEU 83 10.475 1.656 -7.783 651 3HD1 LEU 83 3HD1 LEU 83 10.397 2.684 -6.352 652 1HD2 LEU 83 1HD2 LEU 83 8.499 1.289 -6.284 653 2HD2 LEU 83 2HD2 LEU 83 7.207 1.407 -7.478 654 3HD2 LEU 83 3HD2 LEU 83 7.282 2.557 -6.143 655 H LYS 84 H LYS 84 7.727 5.176 -10.462 656 HA LYS 84 HA LYS 84 6.887 7.850 -10.776 657 1HB LYS 84 2HB LYS 84 5.592 7.071 -12.620 658 2HB LYS 84 1HB LYS 84 7.072 6.122 -12.592 659 1HG LYS 84 2HG LYS 84 5.426 4.570 -11.094 660 2HG LYS 84 1HG LYS 84 4.287 5.288 -12.235 661 1HD LYS 84 2HD LYS 84 6.860 3.951 -13.058 662 2HD LYS 84 1HD LYS 84 5.309 3.114 -12.972 663 1HE LYS 84 2HE LYS 84 4.776 3.860 -14.994 664 2HE LYS 84 1HE LYS 84 4.954 5.525 -14.441 665 1HZ LYS 84 1HZ LYS 84 7.031 3.784 -15.638 666 2HZ LYS 84 2HZ LYS 84 7.394 5.241 -14.861 667 3HZ LYS 84 3HZ LYS 84 6.423 5.242 -16.245 668 H ASP 85 H ASP 85 5.619 5.246 -8.909 669 HA ASP 85 HA ASP 85 2.959 5.524 -8.733 670 1HB ASP 85 2HB ASP 85 5.050 4.781 -6.862 671 2HB ASP 85 1HB ASP 85 3.670 5.501 -6.039 672 H LEU 86 H LEU 86 5.216 7.688 -7.012 673 HA LEU 86 HA LEU 86 2.995 9.611 -6.763 674 1HB LEU 86 2HB LEU 86 5.341 9.660 -4.914 675 2HB LEU 86 1HB LEU 86 3.728 10.295 -4.667 676 HG LEU 86 HG LEU 86 3.966 7.350 -4.937 677 1HD1 LEU 86 1HD1 LEU 86 5.905 8.111 -3.502 678 2HD1 LEU 86 2HD1 LEU 86 4.778 6.977 -2.756 679 3HD1 LEU 86 3HD1 LEU 86 4.702 8.691 -2.350 680 1HD2 LEU 86 1HD2 LEU 86 1.936 7.421 -4.028 681 2HD2 LEU 86 2HD2 LEU 86 2.004 9.177 -4.160 682 3HD2 LEU 86 3HD2 LEU 86 2.511 8.385 -2.668 683 H GLU 87 H GLU 87 6.286 9.091 -7.732 684 HA GLU 87 HA GLU 87 6.338 11.787 -8.854 685 1HB GLU 87 2HB GLU 87 8.871 10.812 -7.629 686 2HB GLU 87 1HB GLU 87 8.301 12.457 -7.866 687 1HG GLU 87 2HG GLU 87 6.793 12.254 -6.001 688 2HG GLU 87 1HG GLU 87 7.210 10.551 -5.806 Start of MODEL 7 1 1H MET 1 1HT MET 1 18.327 9.091 1.246 2 2H MET 1 2HT MET 1 17.506 10.164 2.264 3 3H MET 1 3HT MET 1 17.081 8.527 2.242 4 HA MET 1 HA MET 1 19.568 8.193 2.899 5 1HB MET 1 2HB MET 1 19.753 10.778 2.664 6 2HB MET 1 1HB MET 1 18.996 10.816 4.251 7 1HG MET 1 2HG MET 1 20.904 9.125 4.855 8 2HG MET 1 1HG MET 1 21.694 9.849 3.456 9 1HE MET 1 1HE MET 1 23.843 11.324 4.984 10 2HE MET 1 2HE MET 1 23.213 9.823 5.663 11 3HE MET 1 3HE MET 1 23.373 11.254 6.682 12 H GLY 2 H GLY 2 17.864 6.622 3.610 13 1HA GLY 2 2HA GLY 2 17.207 5.443 5.508 14 2HA GLY 2 1HA GLY 2 17.538 6.867 6.479 15 H GLN 3 H GLN 3 15.676 7.955 3.994 16 HA GLN 3 HA GLN 3 13.336 8.077 5.680 17 1HB GLN 3 2HB GLN 3 13.623 9.101 2.857 18 2HB GLN 3 1HB GLN 3 12.449 9.606 4.064 19 1HG GLN 3 2HG GLN 3 14.116 10.697 5.352 20 2HG GLN 3 1HG GLN 3 15.410 9.987 4.389 21 1HE2 GLN 3 1HE2 GLN 3 16.128 12.194 4.138 22 2HE2 GLN 3 2HE2 GLN 3 15.418 13.185 2.914 23 H VAL 4 H VAL 4 11.231 7.403 5.060 24 HA VAL 4 HA VAL 4 11.229 5.157 3.153 25 HB VAL 4 HB VAL 4 9.531 4.052 4.470 26 1HG1 VAL 4 1HG1 VAL 4 11.188 4.528 6.762 27 2HG1 VAL 4 2HG1 VAL 4 12.174 4.461 5.301 28 3HG1 VAL 4 3HG1 VAL 4 11.109 3.115 5.708 29 1HG2 VAL 4 1HG2 VAL 4 8.149 5.539 5.489 30 2HG2 VAL 4 2HG2 VAL 4 9.461 6.639 5.916 31 3HG2 VAL 4 3HG2 VAL 4 9.197 5.172 6.860 32 H VAL 5 H VAL 5 9.473 4.867 1.824 33 HA VAL 5 HA VAL 5 7.809 7.239 1.386 34 HB VAL 5 HB VAL 5 7.230 6.160 -0.778 35 1HG1 VAL 5 1HG1 VAL 5 9.556 7.457 -0.086 36 2HG1 VAL 5 2HG1 VAL 5 8.989 7.154 -1.729 37 3HG1 VAL 5 3HG1 VAL 5 10.132 6.044 -0.972 38 1HG2 VAL 5 1HG2 VAL 5 7.506 3.825 -0.109 39 2HG2 VAL 5 2HG2 VAL 5 9.243 4.072 0.064 40 3HG2 VAL 5 3HG2 VAL 5 8.493 4.190 -1.527 41 H GLN 6 H GLN 6 5.723 7.221 1.961 42 HA GLN 6 HA GLN 6 4.595 4.697 2.915 43 1HB GLN 6 2HB GLN 6 3.868 7.574 3.434 44 2HB GLN 6 1HB GLN 6 2.893 6.221 3.990 45 1HG GLN 6 2HG GLN 6 4.176 5.975 5.761 46 2HG GLN 6 1HG GLN 6 5.600 5.769 4.743 47 1HE2 GLN 6 1HE2 GLN 6 5.940 8.187 3.621 48 2HE2 GLN 6 2HE2 GLN 6 6.232 9.390 4.823 49 H PHE 7 H PHE 7 2.649 3.892 2.285 50 HA PHE 7 HA PHE 7 1.468 5.092 -0.124 51 1HB PHE 7 2HB PHE 7 2.297 2.977 -0.765 52 2HB PHE 7 1HB PHE 7 1.803 2.224 0.746 53 HD1 PHE 7 1HD PHE 7 0.430 3.788 -2.333 54 HD2 PHE 7 2HD PHE 7 -0.186 1.048 0.861 55 HE1 PHE 7 1HE PHE 7 -1.651 3.024 -3.396 56 HE2 PHE 7 2HE PHE 7 -2.265 0.278 -0.193 57 HZ PHE 7 HZ PHE 7 -3.003 1.264 -2.328 58 H LYS 8 H LYS 8 -0.698 5.469 -0.175 59 HA LYS 8 HA LYS 8 -2.259 4.766 2.219 60 1HB LYS 8 2HB LYS 8 -3.267 6.925 2.269 61 2HB LYS 8 1HB LYS 8 -1.531 7.185 2.151 62 1HG LYS 8 2HG LYS 8 -1.789 7.544 -0.281 63 2HG LYS 8 1HG LYS 8 -3.536 7.398 -0.084 64 1HD LYS 8 2HD LYS 8 -3.095 9.713 -0.075 65 2HD LYS 8 1HD LYS 8 -3.348 9.279 1.616 66 1HE LYS 8 2HE LYS 8 -1.241 9.792 2.187 67 2HE LYS 8 1HE LYS 8 -0.569 9.054 0.734 68 1HZ LYS 8 1HZ LYS 8 -1.619 11.795 1.080 69 2HZ LYS 8 2HZ LYS 8 -1.455 11.103 -0.455 70 3HZ LYS 8 3HZ LYS 8 -0.095 11.310 0.530 71 H LEU 9 H LEU 9 -4.396 4.222 1.908 72 HA LEU 9 HA LEU 9 -5.206 2.879 -0.324 73 1HB LEU 9 2HB LEU 9 -6.348 2.819 1.832 74 2HB LEU 9 1HB LEU 9 -6.928 4.449 1.596 75 HG LEU 9 HG LEU 9 -8.649 2.690 1.236 76 1HD1 LEU 9 1HD1 LEU 9 -9.717 3.878 -0.378 77 2HD1 LEU 9 2HD1 LEU 9 -8.280 4.005 -1.394 78 3HD1 LEU 9 3HD1 LEU 9 -8.437 5.016 0.040 79 1HD2 LEU 9 1HD2 LEU 9 -8.094 1.869 -1.369 80 2HD2 LEU 9 2HD2 LEU 9 -8.154 0.883 0.097 81 3HD2 LEU 9 3HD2 LEU 9 -6.621 1.575 -0.441 82 H SER 10 H SER 10 -5.412 3.516 -2.373 83 HA SER 10 HA SER 10 -6.782 6.041 -2.933 84 1HB SER 10 2HB SER 10 -4.765 5.839 -4.889 85 2HB SER 10 1HB SER 10 -4.899 7.042 -3.606 86 HG SER 10 HG SER 10 -2.912 5.969 -3.476 87 H ASP 11 H ASP 11 -8.409 5.654 -4.224 88 HA ASP 11 HA ASP 11 -8.276 4.499 -6.731 89 1HB ASP 11 2HB ASP 11 -9.676 2.395 -6.240 90 2HB ASP 11 1HB ASP 11 -7.949 2.327 -5.915 91 H ILE 12 H ILE 12 -10.238 5.127 -3.885 92 HA ILE 12 HA ILE 12 -12.495 5.837 -5.642 93 HB ILE 12 HB ILE 12 -13.684 5.960 -3.283 94 1HG1 ILE 12 2HG1 ILE 12 -11.456 5.365 -2.158 95 2HG1 ILE 12 1HG1 ILE 12 -12.886 4.483 -1.635 96 1HG2 ILE 12 1HG2 ILE 12 -14.387 3.591 -3.598 97 2HG2 ILE 12 2HG2 ILE 12 -13.141 3.441 -4.837 98 3HG2 ILE 12 3HG2 ILE 12 -14.472 4.577 -5.058 99 1HD1 ILE 12 1HD1 ILE 12 -12.068 2.526 -2.323 100 2HD1 ILE 12 2HD1 ILE 12 -10.511 3.358 -2.317 101 3HD1 ILE 12 3HD1 ILE 12 -11.427 3.205 -3.818 102 H GLY 13 H GLY 13 -13.884 7.654 -4.547 103 1HA GLY 13 2HA GLY 13 -12.234 9.985 -4.481 104 2HA GLY 13 1HA GLY 13 -13.974 9.938 -4.232 105 H GLU 14 H GLU 14 -11.674 11.305 -2.808 106 HA GLU 14 HA GLU 14 -11.393 10.156 -0.246 107 1HB GLU 14 2HB GLU 14 -10.530 12.363 0.426 108 2HB GLU 14 1HB GLU 14 -9.814 11.802 -1.078 109 1HG GLU 14 2HG GLU 14 -12.043 13.279 -1.850 110 2HG GLU 14 1HG GLU 14 -11.314 14.197 -0.534 111 H GLY 15 H GLY 15 -13.655 9.576 0.175 112 1HA GLY 15 2HA GLY 15 -14.889 10.853 2.165 113 2HA GLY 15 1HA GLY 15 -15.467 11.773 0.785 114 H ILE 16 H ILE 16 -15.286 9.150 -0.793 115 HA ILE 16 HA ILE 16 -18.013 8.347 -0.249 116 HB ILE 16 HB ILE 16 -17.935 7.166 -2.320 117 1HG1 ILE 16 2HG1 ILE 16 -15.243 7.664 -3.198 118 2HG1 ILE 16 1HG1 ILE 16 -15.201 6.772 -1.681 119 1HG2 ILE 16 1HG2 ILE 16 -18.238 9.273 -3.038 120 2HG2 ILE 16 2HG2 ILE 16 -16.631 9.050 -3.730 121 3HG2 ILE 16 3HG2 ILE 16 -16.818 9.882 -2.186 122 1HD1 ILE 16 1HD1 ILE 16 -17.161 5.533 -3.251 123 2HD1 ILE 16 2HD1 ILE 16 -15.560 4.924 -2.831 124 3HD1 ILE 16 3HD1 ILE 16 -15.791 5.841 -4.319 125 H ARG 17 H ARG 17 -17.886 5.673 -1.150 126 HA ARG 17 HA ARG 17 -17.470 4.278 1.230 127 1HB ARG 17 2HB ARG 17 -18.741 3.697 -1.053 128 2HB ARG 17 1HB ARG 17 -17.256 2.803 -1.344 129 1HG ARG 17 2HG ARG 17 -18.859 1.325 -0.374 130 2HG ARG 17 1HG ARG 17 -17.598 1.636 0.820 131 1HD ARG 17 2HD ARG 17 -19.373 3.613 1.391 132 2HD ARG 17 1HD ARG 17 -20.453 2.327 0.854 133 HE ARG 17 HE ARG 17 -18.960 2.414 3.293 134 1HH1 ARG 17 1HH1 ARG 17 -20.354 0.300 0.902 135 2HH1 ARG 17 2HH1 ARG 17 -20.519 -1.037 1.991 136 1HH2 ARG 17 1HH2 ARG 17 -19.174 0.658 4.738 137 2HH2 ARG 17 2HH2 ARG 17 -19.849 -0.833 4.171 138 H GLU 18 H GLU 18 -15.889 2.713 1.788 139 HA GLU 18 HA GLU 18 -13.234 3.374 0.744 140 1HB GLU 18 2HB GLU 18 -14.117 1.993 3.281 141 2HB GLU 18 1HB GLU 18 -12.436 2.222 2.818 142 1HG GLU 18 2HG GLU 18 -12.451 4.245 3.713 143 2HG GLU 18 1HG GLU 18 -13.749 4.729 2.619 144 H VAL 19 H VAL 19 -11.645 1.362 0.879 145 HA VAL 19 HA VAL 19 -13.091 -0.930 -0.302 146 HB VAL 19 HB VAL 19 -11.991 0.448 -2.049 147 1HG1 VAL 19 1HG1 VAL 19 -9.504 0.223 -2.237 148 2HG1 VAL 19 2HG1 VAL 19 -9.502 -0.382 -0.580 149 3HG1 VAL 19 3HG1 VAL 19 -10.062 1.256 -0.920 150 1HG2 VAL 19 1HG2 VAL 19 -12.269 -2.192 -1.961 151 2HG2 VAL 19 2HG2 VAL 19 -10.509 -2.122 -2.053 152 3HG2 VAL 19 3HG2 VAL 19 -11.489 -1.376 -3.316 153 H THR 20 H THR 20 -12.178 -2.975 -0.122 154 HA THR 20 HA THR 20 -10.422 -3.291 2.203 155 HB THR 20 HB THR 20 -11.581 -5.690 0.921 156 HG1 THR 20 1HG THR 20 -13.610 -5.135 1.141 157 1HG2 THR 20 1HG2 THR 20 -10.310 -5.750 3.038 158 2HG2 THR 20 2HG2 THR 20 -11.957 -6.353 3.223 159 3HG2 THR 20 3HG2 THR 20 -11.543 -4.735 3.784 160 H VAL 21 H VAL 21 -8.663 -4.769 2.139 161 HA VAL 21 HA VAL 21 -7.249 -4.720 -0.379 162 HB VAL 21 HB VAL 21 -6.369 -6.125 2.143 163 1HG1 VAL 21 1HG1 VAL 21 -5.095 -5.325 -0.414 164 2HG1 VAL 21 2HG1 VAL 21 -4.822 -6.748 0.592 165 3HG1 VAL 21 3HG1 VAL 21 -4.127 -5.194 1.054 166 1HG2 VAL 21 1HG2 VAL 21 -6.524 -4.086 3.096 167 2HG2 VAL 21 2HG2 VAL 21 -6.594 -3.251 1.545 168 3HG2 VAL 21 3HG2 VAL 21 -5.040 -3.768 2.198 169 H LYS 22 H LYS 22 -7.060 -6.340 -1.815 170 HA LYS 22 HA LYS 22 -8.579 -8.768 -1.318 171 1HB LYS 22 2HB LYS 22 -8.648 -7.339 -3.469 172 2HB LYS 22 1HB LYS 22 -7.128 -8.127 -3.869 173 1HG LYS 22 2HG LYS 22 -8.637 -9.478 -4.939 174 2HG LYS 22 1HG LYS 22 -8.458 -10.317 -3.397 175 1HD LYS 22 2HD LYS 22 -10.484 -9.181 -2.572 176 2HD LYS 22 1HD LYS 22 -10.671 -8.406 -4.147 177 1HE LYS 22 2HE LYS 22 -10.361 -11.297 -4.330 178 2HE LYS 22 1HE LYS 22 -11.765 -10.818 -3.377 179 1HZ LYS 22 1HZ LYS 22 -11.251 -9.598 -6.014 180 2HZ LYS 22 2HZ LYS 22 -12.712 -9.729 -5.171 181 3HZ LYS 22 3HZ LYS 22 -12.029 -11.096 -5.895 182 H GLU 23 H GLU 23 -5.239 -7.791 -1.911 183 HA GLU 23 HA GLU 23 -4.403 -10.457 -1.035 184 1HB GLU 23 2HB GLU 23 -3.502 -9.070 -3.553 185 2HB GLU 23 1HB GLU 23 -2.562 -10.349 -2.797 186 1HG GLU 23 2HG GLU 23 -4.411 -11.899 -3.072 187 2HG GLU 23 1HG GLU 23 -5.396 -10.618 -3.778 188 H TRP 24 H TRP 24 -2.527 -10.544 0.117 189 HA TRP 24 HA TRP 24 -1.040 -8.043 0.541 190 1HB TRP 24 2HB TRP 24 -2.495 -9.685 2.544 191 2HB TRP 24 1HB TRP 24 -0.909 -9.094 3.023 192 HD1 TRP 24 HD TRP 24 -4.460 -8.051 2.795 193 HE1 TRP 24 1HE TRP 24 -4.693 -5.554 3.353 194 HE3 TRP 24 3HE TRP 24 0.472 -6.713 2.625 195 HZ2 TRP 24 2HZ TRP 24 -3.017 -3.311 3.679 196 HZ3 TRP 24 3HZ TRP 24 1.070 -4.367 3.070 197 HH2 TRP 24 HH TRP 24 -0.639 -2.703 3.588 198 H TYR 25 H TYR 25 1.015 -8.413 -0.014 199 HA TYR 25 HA TYR 25 2.110 -11.115 0.444 200 1HB TYR 25 2HB TYR 25 2.063 -9.452 -1.901 201 2HB TYR 25 1HB TYR 25 3.730 -9.758 -1.428 202 HD1 TYR 25 1HD TYR 25 4.448 -12.186 -1.100 203 HD2 TYR 25 2HD TYR 25 0.824 -11.081 -3.034 204 HE1 TYR 25 1HE TYR 25 4.343 -14.404 -2.155 205 HE2 TYR 25 2HE TYR 25 0.706 -13.296 -4.094 206 HH TYR 25 HH TYR 25 1.828 -15.211 -4.506 207 H VAL 26 H VAL 26 2.142 -8.846 2.351 208 HA VAL 26 HA VAL 26 4.969 -8.964 2.937 209 HB VAL 26 HB VAL 26 5.418 -6.625 2.994 210 1HG1 VAL 26 1HG1 VAL 26 5.632 -7.702 0.804 211 2HG1 VAL 26 2HG1 VAL 26 5.205 -5.998 0.662 212 3HG1 VAL 26 3HG1 VAL 26 3.977 -7.233 0.417 213 1HG2 VAL 26 1HG2 VAL 26 3.390 -5.204 1.895 214 2HG2 VAL 26 2HG2 VAL 26 3.676 -5.344 3.629 215 3HG2 VAL 26 3HG2 VAL 26 2.490 -6.387 2.843 216 H LYS 27 H LYS 27 5.462 -7.751 5.035 217 HA LYS 27 HA LYS 27 3.168 -7.515 6.820 218 1HB LYS 27 2HB LYS 27 5.228 -9.653 6.961 219 2HB LYS 27 1HB LYS 27 4.697 -8.939 8.477 220 1HG LYS 27 2HG LYS 27 2.353 -9.458 7.063 221 2HG LYS 27 1HG LYS 27 3.380 -10.869 6.800 222 1HD LYS 27 2HD LYS 27 3.449 -11.403 9.042 223 2HD LYS 27 1HD LYS 27 3.108 -9.749 9.554 224 1HE LYS 27 2HE LYS 27 1.197 -11.186 9.985 225 2HE LYS 27 1HE LYS 27 0.803 -9.986 8.755 226 1HZ LYS 27 1HZ LYS 27 1.826 -12.496 7.738 227 2HZ LYS 27 2HZ LYS 27 0.529 -11.556 7.196 228 3HZ LYS 27 3HZ LYS 27 0.323 -12.604 8.508 229 H GLU 28 H GLU 28 3.823 -6.700 8.999 230 HA GLU 28 HA GLU 28 5.319 -4.354 8.802 231 1HB GLU 28 2HB GLU 28 4.944 -5.833 11.398 232 2HB GLU 28 1HB GLU 28 4.987 -4.098 11.130 233 1HG GLU 28 2HG GLU 28 2.766 -4.218 11.259 234 2HG GLU 28 1HG GLU 28 2.850 -4.845 9.613 235 H GLY 29 H GLY 29 7.443 -3.841 9.094 236 1HA GLY 29 2HA GLY 29 9.685 -4.119 9.564 237 2HA GLY 29 1HA GLY 29 9.252 -5.518 10.535 238 H ASP 30 H ASP 30 7.928 -5.858 7.493 239 HA ASP 30 HA ASP 30 10.010 -7.767 6.764 240 1HB ASP 30 2HB ASP 30 7.316 -8.062 6.839 241 2HB ASP 30 1HB ASP 30 7.541 -7.626 5.147 242 H THR 31 H THR 31 10.784 -7.927 4.606 243 HA THR 31 HA THR 31 10.955 -5.310 3.308 244 HB THR 31 HB THR 31 12.651 -7.578 2.398 245 HG1 THR 31 1HG THR 31 14.028 -7.340 4.160 246 1HG2 THR 31 1HG2 THR 31 13.025 -4.618 2.830 247 2HG2 THR 31 2HG2 THR 31 12.957 -5.488 1.297 248 3HG2 THR 31 3HG2 THR 31 14.339 -5.704 2.373 249 H VAL 32 H VAL 32 10.486 -4.987 1.196 250 HA VAL 32 HA VAL 32 8.835 -7.010 -0.110 251 HB VAL 32 HB VAL 32 8.814 -4.590 -1.607 252 1HG1 VAL 32 1HG1 VAL 32 6.784 -5.439 -1.796 253 2HG1 VAL 32 2HG1 VAL 32 6.424 -4.763 -0.210 254 3HG1 VAL 32 3HG1 VAL 32 6.996 -6.425 -0.349 255 1HG2 VAL 32 1HG2 VAL 32 8.478 -4.136 1.350 256 2HG2 VAL 32 2HG2 VAL 32 7.778 -3.078 0.127 257 3HG2 VAL 32 3HG2 VAL 32 9.527 -3.270 0.227 258 H SER 33 H SER 33 8.992 -7.069 -2.531 259 HA SER 33 HA SER 33 11.731 -6.606 -3.487 260 1HB SER 33 2HB SER 33 11.033 -9.081 -2.777 261 2HB SER 33 1HB SER 33 10.336 -9.079 -4.397 262 HG SER 33 HG SER 33 12.275 -9.370 -5.117 263 H GLN 34 H GLN 34 11.697 -7.248 -5.997 264 HA GLN 34 HA GLN 34 9.989 -5.339 -7.222 265 1HB GLN 34 2HB GLN 34 12.029 -7.296 -8.179 266 2HB GLN 34 1HB GLN 34 10.932 -6.588 -9.356 267 1HG GLN 34 2HG GLN 34 12.074 -4.692 -9.389 268 2HG GLN 34 1HG GLN 34 12.024 -4.560 -7.631 269 1HE2 GLN 34 1HE2 GLN 34 13.707 -5.464 -6.408 270 2HE2 GLN 34 2HE2 GLN 34 15.243 -5.824 -7.113 271 H PHE 35 H PHE 35 9.830 -8.784 -6.752 272 HA PHE 35 HA PHE 35 7.478 -8.978 -8.489 273 1HB PHE 35 2HB PHE 35 9.127 -10.688 -8.894 274 2HB PHE 35 1HB PHE 35 9.193 -11.098 -7.183 275 HD1 PHE 35 1HD PHE 35 6.332 -10.587 -9.520 276 HD2 PHE 35 2HD PHE 35 8.403 -13.239 -6.914 277 HE1 PHE 35 1HE PHE 35 4.587 -12.286 -9.868 278 HE2 PHE 35 2HE PHE 35 6.661 -14.942 -7.257 279 HZ PHE 35 HZ PHE 35 4.750 -14.467 -8.737 280 H ASP 36 H ASP 36 8.389 -8.794 -5.185 281 HA ASP 36 HA ASP 36 5.892 -9.957 -4.241 282 1HB ASP 36 2HB ASP 36 8.493 -9.624 -3.144 283 2HB ASP 36 1HB ASP 36 7.373 -8.710 -2.137 284 H SER 37 H SER 37 4.207 -8.634 -4.613 285 HA SER 37 HA SER 37 4.381 -5.788 -4.445 286 1HB SER 37 2HB SER 37 2.206 -5.760 -5.212 287 2HB SER 37 1HB SER 37 2.701 -7.361 -5.762 288 HG SER 37 HG SER 37 1.460 -8.275 -4.285 289 H ILE 38 H ILE 38 3.165 -4.441 -2.949 290 HA ILE 38 HA ILE 38 3.461 -5.386 -0.233 291 HB ILE 38 HB ILE 38 2.323 -2.736 -1.110 292 1HG1 ILE 38 2HG1 ILE 38 5.076 -3.787 -1.225 293 2HG1 ILE 38 1HG1 ILE 38 4.349 -2.448 -2.097 294 1HG2 ILE 38 1HG2 ILE 38 2.592 -2.026 1.057 295 2HG2 ILE 38 2HG2 ILE 38 3.873 -3.190 1.397 296 3HG2 ILE 38 3HG2 ILE 38 2.194 -3.724 1.318 297 1HD1 ILE 38 1HD1 ILE 38 4.769 -0.950 -0.291 298 2HD1 ILE 38 2HD1 ILE 38 6.259 -1.841 -0.613 299 3HD1 ILE 38 3HD1 ILE 38 5.253 -2.276 0.769 300 H CYS 39 H CYS 39 0.751 -3.659 -1.782 301 HA CYS 39 HA CYS 39 -1.097 -5.620 -0.644 302 1HB CYS 39 2HB CYS 39 -2.573 -3.504 -0.097 303 2HB CYS 39 1HB CYS 39 -1.373 -4.090 1.047 304 HG CYS 39 HG CYS 39 -0.954 -1.470 1.272 305 H GLU 40 H GLU 40 -3.051 -5.829 -1.721 306 HA GLU 40 HA GLU 40 -3.357 -4.267 -4.196 307 1HB GLU 40 2HB GLU 40 -4.102 -7.168 -4.122 308 2HB GLU 40 1HB GLU 40 -3.717 -6.157 -5.508 309 1HG GLU 40 2HG GLU 40 -1.637 -6.859 -3.472 310 2HG GLU 40 1HG GLU 40 -2.038 -7.953 -4.793 311 H VAL 41 H VAL 41 -5.317 -3.368 -4.374 312 HA VAL 41 HA VAL 41 -7.538 -4.580 -2.863 313 HB VAL 41 HB VAL 41 -8.429 -2.426 -2.333 314 1HG1 VAL 41 1HG1 VAL 41 -5.948 -3.343 -1.402 315 2HG1 VAL 41 2HG1 VAL 41 -7.078 -2.269 -0.579 316 3HG1 VAL 41 3HG1 VAL 41 -5.788 -1.595 -1.576 317 1HG2 VAL 41 1HG2 VAL 41 -7.466 -0.336 -3.029 318 2HG2 VAL 41 2HG2 VAL 41 -7.777 -1.314 -4.463 319 3HG2 VAL 41 3HG2 VAL 41 -6.135 -1.165 -3.837 320 H GLN 42 H GLN 42 -9.545 -4.639 -3.831 321 HA GLN 42 HA GLN 42 -9.706 -3.657 -6.599 322 1HB GLN 42 2HB GLN 42 -10.763 -6.326 -5.665 323 2HB GLN 42 1HB GLN 42 -10.793 -5.697 -7.306 324 1HG GLN 42 2HG GLN 42 -8.257 -5.657 -7.173 325 2HG GLN 42 1HG GLN 42 -8.431 -6.629 -5.712 326 1HE2 GLN 42 1HE2 GLN 42 -7.032 -7.682 -7.730 327 2HE2 GLN 42 2HE2 GLN 42 -7.921 -8.938 -8.516 328 H SER 43 H SER 43 -11.387 -2.364 -6.895 329 HA SER 43 HA SER 43 -13.635 -2.523 -5.007 330 1HB SER 43 2HB SER 43 -12.230 -0.358 -5.366 331 2HB SER 43 1HB SER 43 -13.164 -0.201 -6.855 332 HG SER 43 HG SER 43 -15.043 -0.538 -5.341 333 H ASP 44 H ASP 44 -15.792 -2.280 -5.797 334 HA ASP 44 HA ASP 44 -16.488 -3.917 -7.900 335 1HB ASP 44 2HB ASP 44 -17.970 -2.957 -6.042 336 2HB ASP 44 1HB ASP 44 -18.167 -1.551 -7.083 337 H LYS 45 H LYS 45 -15.469 -0.611 -7.974 338 HA LYS 45 HA LYS 45 -16.399 -0.190 -10.693 339 1HB LYS 45 2HB LYS 45 -16.511 1.677 -9.131 340 2HB LYS 45 1HB LYS 45 -14.780 1.569 -8.842 341 1HG LYS 45 2HG LYS 45 -14.547 1.985 -11.371 342 2HG LYS 45 1HG LYS 45 -16.223 2.531 -11.279 343 1HD LYS 45 2HD LYS 45 -14.808 4.446 -11.042 344 2HD LYS 45 1HD LYS 45 -15.529 4.107 -9.468 345 1HE LYS 45 2HE LYS 45 -13.548 3.459 -8.545 346 2HE LYS 45 1HE LYS 45 -12.910 2.856 -10.075 347 1HZ LYS 45 1HZ LYS 45 -11.664 4.723 -9.845 348 2HZ LYS 45 2HZ LYS 45 -12.844 5.561 -8.969 349 3HZ LYS 45 3HZ LYS 45 -12.985 5.411 -10.648 350 H ALA 46 H ALA 46 -13.216 0.182 -9.118 351 HA ALA 46 HA ALA 46 -11.992 -1.091 -11.468 352 1HB ALA 46 1HB ALA 46 -10.811 1.340 -10.146 353 2HB ALA 46 2HB ALA 46 -11.852 1.426 -11.567 354 3HB ALA 46 3HB ALA 46 -10.313 0.570 -11.651 355 H SER 47 H SER 47 -9.958 -2.083 -11.095 356 HA SER 47 HA SER 47 -9.444 -2.682 -8.257 357 1HB SER 47 2HB SER 47 -8.483 -4.840 -9.082 358 2HB SER 47 1HB SER 47 -10.205 -4.663 -9.423 359 HG SER 47 HG SER 47 -9.693 -4.133 -11.545 360 H VAL 48 H VAL 48 -7.567 -1.986 -7.465 361 HA VAL 48 HA VAL 48 -5.400 -1.383 -9.371 362 HB VAL 48 HB VAL 48 -5.037 -0.088 -6.802 363 1HG1 VAL 48 1HG1 VAL 48 -3.751 0.602 -8.647 364 2HG1 VAL 48 2HG1 VAL 48 -4.882 1.919 -8.338 365 3HG1 VAL 48 3HG1 VAL 48 -5.175 0.800 -9.669 366 1HG2 VAL 48 1HG2 VAL 48 -6.856 1.687 -7.409 367 2HG2 VAL 48 2HG2 VAL 48 -7.295 0.263 -6.467 368 3HG2 VAL 48 3HG2 VAL 48 -7.651 0.322 -8.193 369 H THR 49 H THR 49 -3.263 -1.814 -8.773 370 HA THR 49 HA THR 49 -2.907 -3.647 -6.497 371 HB THR 49 HB THR 49 -1.477 -5.086 -7.771 372 HG1 THR 49 1HG THR 49 -1.748 -3.098 -9.777 373 1HG2 THR 49 1HG2 THR 49 -4.149 -4.961 -8.160 374 2HG2 THR 49 2HG2 THR 49 -3.111 -6.198 -8.872 375 3HG2 THR 49 3HG2 THR 49 -3.578 -4.786 -9.820 376 H ILE 50 H ILE 50 -1.173 -3.228 -5.233 377 HA ILE 50 HA ILE 50 0.506 -0.956 -6.001 378 HB ILE 50 HB ILE 50 0.361 -2.297 -3.306 379 1HG1 ILE 50 2HG1 ILE 50 -1.861 -1.474 -3.956 380 2HG1 ILE 50 1HG1 ILE 50 -1.181 -0.508 -2.651 381 1HG2 ILE 50 1HG2 ILE 50 1.481 0.315 -4.283 382 2HG2 ILE 50 2HG2 ILE 50 2.330 -1.004 -3.476 383 3HG2 ILE 50 3HG2 ILE 50 1.176 -0.017 -2.578 384 1HD1 ILE 50 1HD1 ILE 50 -1.287 0.239 -5.563 385 2HD1 ILE 50 2HD1 ILE 50 -0.520 1.196 -4.296 386 3HD1 ILE 50 3HD1 ILE 50 -2.261 0.919 -4.259 387 H THR 51 H THR 51 2.257 -1.539 -7.100 388 HA THR 51 HA THR 51 3.700 -3.981 -6.416 389 HB THR 51 HB THR 51 4.992 -2.429 -8.472 390 HG1 THR 51 1HG THR 51 3.339 -1.757 -9.598 391 1HG2 THR 51 1HG2 THR 51 3.459 -4.884 -9.112 392 2HG2 THR 51 2HG2 THR 51 4.725 -5.027 -7.894 393 3HG2 THR 51 3HG2 THR 51 5.121 -4.449 -9.512 394 H SER 52 H SER 52 6.252 -3.555 -6.794 395 HA SER 52 HA SER 52 6.952 -1.335 -4.989 396 1HB SER 52 2HB SER 52 7.333 -4.099 -4.599 397 2HB SER 52 1HB SER 52 8.927 -3.430 -4.950 398 HG SER 52 HG SER 52 8.666 -1.992 -3.254 399 H ARG 53 H ARG 53 8.080 -3.359 -7.681 400 HA ARG 53 HA ARG 53 9.514 -2.932 -9.403 401 1HB ARG 53 2HB ARG 53 9.656 -0.034 -8.661 402 2HB ARG 53 1HB ARG 53 9.657 -0.773 -10.255 403 1HG ARG 53 2HG ARG 53 7.290 -0.537 -8.408 404 2HG ARG 53 1HG ARG 53 7.593 0.427 -9.853 405 1HD ARG 53 2HD ARG 53 7.535 -2.544 -10.085 406 2HD ARG 53 1HD ARG 53 6.011 -1.672 -9.940 407 HE ARG 53 HE ARG 53 7.811 -1.679 -12.201 408 1HH1 ARG 53 1HH1 ARG 53 5.169 -0.059 -10.604 409 2HH1 ARG 53 2HH1 ARG 53 4.610 0.723 -12.044 410 1HH2 ARG 53 1HH2 ARG 53 7.085 -0.646 -14.100 411 2HH2 ARG 53 2HH2 ARG 53 5.698 0.389 -14.031 412 H TYR 54 H TYR 54 10.333 -2.975 -6.357 413 HA TYR 54 HA TYR 54 13.092 -3.178 -6.727 414 1HB TYR 54 2HB TYR 54 12.130 -0.495 -6.216 415 2HB TYR 54 1HB TYR 54 13.145 -1.048 -4.888 416 HD1 TYR 54 1HD TYR 54 15.239 -2.568 -6.059 417 HD2 TYR 54 2HD TYR 54 13.319 0.895 -7.616 418 HE1 TYR 54 1HE TYR 54 17.252 -2.050 -7.373 419 HE2 TYR 54 2HE TYR 54 15.326 1.422 -8.935 420 HH TYR 54 HH TYR 54 17.907 0.842 -8.675 421 H ASP 55 H ASP 55 14.182 -3.233 -4.422 422 HA ASP 55 HA ASP 55 12.294 -4.695 -2.731 423 1HB ASP 55 2HB ASP 55 14.572 -5.199 -1.470 424 2HB ASP 55 1HB ASP 55 14.102 -6.099 -2.907 425 H GLY 56 H GLY 56 11.392 -3.698 -1.095 426 1HA GLY 56 2HA GLY 56 12.861 -1.456 0.143 427 2HA GLY 56 1HA GLY 56 11.133 -1.401 -0.156 428 H VAL 57 H VAL 57 12.112 -0.861 2.324 429 HA VAL 57 HA VAL 57 11.638 -3.325 3.871 430 HB VAL 57 HB VAL 57 12.789 -0.700 4.820 431 1HG1 VAL 57 1HG1 VAL 57 13.261 -1.783 6.880 432 2HG1 VAL 57 2HG1 VAL 57 12.783 -3.355 6.239 433 3HG1 VAL 57 3HG1 VAL 57 11.567 -2.108 6.514 434 1HG2 VAL 57 1HG2 VAL 57 14.279 -3.286 4.463 435 2HG2 VAL 57 2HG2 VAL 57 14.928 -1.663 4.701 436 3HG2 VAL 57 3HG2 VAL 57 14.157 -2.089 3.173 437 H ILE 58 H ILE 58 9.687 -3.623 4.721 438 HA ILE 58 HA ILE 58 7.927 -1.311 5.132 439 HB ILE 58 HB ILE 58 7.197 -4.242 5.205 440 1HG1 ILE 58 2HG1 ILE 58 6.520 -2.362 2.967 441 2HG1 ILE 58 1HG1 ILE 58 8.094 -3.152 2.998 442 1HG2 ILE 58 1HG2 ILE 58 5.359 -3.400 6.180 443 2HG2 ILE 58 2HG2 ILE 58 4.945 -2.857 4.554 444 3HG2 ILE 58 3HG2 ILE 58 5.731 -1.750 5.681 445 1HD1 ILE 58 1HD1 ILE 58 7.142 -5.281 2.789 446 2HD1 ILE 58 2HD1 ILE 58 6.257 -4.263 1.654 447 3HD1 ILE 58 3HD1 ILE 58 5.533 -4.693 3.203 448 H LYS 59 H LYS 59 7.383 -0.624 7.081 449 HA LYS 59 HA LYS 59 8.547 -1.984 9.384 450 1HB LYS 59 2HB LYS 59 9.147 0.318 9.123 451 2HB LYS 59 1HB LYS 59 7.465 0.799 8.972 452 1HG LYS 59 2HG LYS 59 7.438 -0.352 11.423 453 2HG LYS 59 1HG LYS 59 9.082 0.288 11.365 454 1HD LYS 59 2HD LYS 59 6.963 2.098 10.401 455 2HD LYS 59 1HD LYS 59 6.936 1.735 12.128 456 1HE LYS 59 2HE LYS 59 9.620 2.284 11.228 457 2HE LYS 59 1HE LYS 59 8.535 3.608 10.809 458 1HZ LYS 59 1HZ LYS 59 8.363 4.218 12.930 459 2HZ LYS 59 2HZ LYS 59 9.708 3.236 13.222 460 3HZ LYS 59 3HZ LYS 59 8.149 2.633 13.481 461 H LYS 60 H LYS 60 5.342 -0.711 8.377 462 HA LYS 60 HA LYS 60 4.167 -2.621 10.218 463 1HB LYS 60 2HB LYS 60 3.182 -1.196 11.696 464 2HB LYS 60 1HB LYS 60 4.629 -0.274 11.328 465 1HG LYS 60 2HG LYS 60 1.905 0.162 10.118 466 2HG LYS 60 1HG LYS 60 2.648 1.139 11.385 467 1HD LYS 60 2HD LYS 60 4.538 1.566 9.753 468 2HD LYS 60 1HD LYS 60 3.507 0.849 8.516 469 1HE LYS 60 2HE LYS 60 3.291 3.457 9.898 470 2HE LYS 60 1HE LYS 60 2.914 3.022 8.234 471 1HZ LYS 60 1HZ LYS 60 0.974 1.733 9.350 472 2HZ LYS 60 2HZ LYS 60 0.842 3.399 9.097 473 3HZ LYS 60 3HZ LYS 60 1.233 2.806 10.632 474 H LEU 61 H LEU 61 1.962 -2.996 9.982 475 HA LEU 61 HA LEU 61 0.684 -1.931 7.570 476 1HB LEU 61 2HB LEU 61 1.250 -4.801 8.226 477 2HB LEU 61 1HB LEU 61 -0.174 -4.384 7.291 478 HG LEU 61 HG LEU 61 2.706 -3.904 6.544 479 1HD1 LEU 61 1HD1 LEU 61 0.502 -5.637 5.457 480 2HD1 LEU 61 2HD1 LEU 61 2.083 -6.125 6.062 481 3HD1 LEU 61 3HD1 LEU 61 1.957 -5.250 4.539 482 1HD2 LEU 61 1HD2 LEU 61 1.631 -3.027 4.397 483 2HD2 LEU 61 2HD2 LEU 61 1.642 -1.962 5.803 484 3HD2 LEU 61 3HD2 LEU 61 0.168 -2.823 5.363 485 H TYR 62 H TYR 62 -1.344 -1.294 8.002 486 HA TYR 62 HA TYR 62 -2.533 -2.170 10.534 487 1HB TYR 62 2HB TYR 62 -2.246 0.238 10.268 488 2HB TYR 62 1HB TYR 62 -3.187 0.204 8.781 489 HD1 TYR 62 1HD TYR 62 -5.185 1.303 9.121 490 HD2 TYR 62 2HD TYR 62 -3.740 -1.307 12.153 491 HE1 TYR 62 1HE TYR 62 -7.244 1.673 10.413 492 HE2 TYR 62 2HE TYR 62 -5.794 -0.945 13.454 493 HH TYR 62 HH TYR 62 -8.505 0.848 12.144 494 H TYR 63 H TYR 63 -3.387 -1.698 7.113 495 HA TYR 63 HA TYR 63 -5.933 -3.038 7.525 496 1HB TYR 63 2HB TYR 63 -4.734 -1.981 4.960 497 2HB TYR 63 1HB TYR 63 -6.399 -2.501 5.204 498 HD1 TYR 63 1HD TYR 63 -4.601 0.303 4.683 499 HD2 TYR 63 2HD TYR 63 -7.328 -1.251 7.555 500 HE1 TYR 63 1HE TYR 63 -5.220 2.594 5.325 501 HE2 TYR 63 2HE TYR 63 -7.954 1.037 8.206 502 HH TYR 63 HH TYR 63 -6.233 3.658 7.607 503 H ASN 64 H ASN 64 -6.581 -4.924 6.421 504 HA ASN 64 HA ASN 64 -4.410 -6.550 5.300 505 1HB ASN 64 2HB ASN 64 -6.412 -7.432 7.378 506 2HB ASN 64 1HB ASN 64 -5.393 -8.544 6.458 507 1HD2 ASN 64 1HD2 ASN 64 -4.053 -9.309 7.961 508 2HD2 ASN 64 2HD2 ASN 64 -3.016 -8.348 8.954 509 H LEU 65 H LEU 65 -5.568 -8.756 4.592 510 HA LEU 65 HA LEU 65 -6.904 -8.275 2.256 511 1HB LEU 65 2HB LEU 65 -6.900 -10.702 4.033 512 2HB LEU 65 1HB LEU 65 -7.546 -10.693 2.410 513 HG LEU 65 HG LEU 65 -5.057 -9.702 1.967 514 1HD1 LEU 65 1HD1 LEU 65 -3.778 -11.645 3.335 515 2HD1 LEU 65 2HD1 LEU 65 -5.010 -11.178 4.508 516 3HD1 LEU 65 3HD1 LEU 65 -3.895 -9.969 3.872 517 1HD2 LEU 65 1HD2 LEU 65 -6.393 -12.299 1.703 518 2HD2 LEU 65 2HD2 LEU 65 -4.632 -12.375 1.682 519 3HD2 LEU 65 3HD2 LEU 65 -5.484 -11.362 0.517 520 H ASP 66 H ASP 66 -8.239 -8.421 5.465 521 HA ASP 66 HA ASP 66 -10.954 -8.517 4.342 522 1HB ASP 66 2HB ASP 66 -10.330 -10.215 6.069 523 2HB ASP 66 1HB ASP 66 -10.137 -8.900 7.225 524 H ASP 67 H ASP 67 -8.753 -6.493 6.121 525 HA ASP 67 HA ASP 67 -10.768 -4.704 7.091 526 1HB ASP 67 2HB ASP 67 -8.068 -5.132 7.630 527 2HB ASP 67 1HB ASP 67 -8.135 -3.515 6.938 528 H ILE 68 H ILE 68 -11.062 -2.523 6.535 529 HA ILE 68 HA ILE 68 -10.674 -1.966 3.669 530 HB ILE 68 HB ILE 68 -12.450 -0.267 5.344 531 1HG1 ILE 68 2HG1 ILE 68 -13.026 -2.632 5.943 532 2HG1 ILE 68 1HG1 ILE 68 -14.332 -1.751 5.154 533 1HG2 ILE 68 1HG2 ILE 68 -12.897 -1.319 2.572 534 2HG2 ILE 68 2HG2 ILE 68 -11.855 0.071 2.889 535 3HG2 ILE 68 3HG2 ILE 68 -13.567 0.127 3.324 536 1HD1 ILE 68 1HD1 ILE 68 -13.431 -4.237 4.469 537 2HD1 ILE 68 2HD1 ILE 68 -12.632 -3.193 3.293 538 3HD1 ILE 68 3HD1 ILE 68 -14.389 -3.168 3.442 539 H ALA 69 H ALA 69 -9.800 -0.099 2.970 540 HA ALA 69 HA ALA 69 -8.487 1.547 5.020 541 1HB ALA 69 1HB ALA 69 -7.617 1.295 2.156 542 2HB ALA 69 2HB ALA 69 -7.053 0.206 3.419 543 3HB ALA 69 3HB ALA 69 -6.706 1.932 3.523 544 H TYR 70 H TYR 70 -8.470 3.796 4.760 545 HA TYR 70 HA TYR 70 -10.612 4.829 3.023 546 1HB TYR 70 2HB TYR 70 -9.700 6.626 5.148 547 2HB TYR 70 1HB TYR 70 -11.333 6.141 4.713 548 HD1 TYR 70 1HD TYR 70 -12.224 3.950 5.618 549 HD2 TYR 70 2HD TYR 70 -8.613 5.705 7.027 550 HE1 TYR 70 1HE TYR 70 -12.344 2.558 7.642 551 HE2 TYR 70 2HE TYR 70 -8.723 4.317 9.055 552 HH TYR 70 HH TYR 70 -10.259 1.701 9.414 553 H VAL 71 H VAL 71 -10.300 6.765 1.878 554 HA VAL 71 HA VAL 71 -7.563 7.218 1.053 555 HB VAL 71 HB VAL 71 -9.950 8.799 0.120 556 1HG1 VAL 71 1HG1 VAL 71 -8.026 8.122 -1.890 557 2HG1 VAL 71 2HG1 VAL 71 -7.209 8.837 -0.500 558 3HG1 VAL 71 3HG1 VAL 71 -8.514 9.711 -1.302 559 1HG2 VAL 71 1HG2 VAL 71 -10.236 6.229 0.014 560 2HG2 VAL 71 2HG2 VAL 71 -9.037 6.312 -1.276 561 3HG2 VAL 71 3HG2 VAL 71 -10.561 7.184 -1.431 562 H GLY 72 H GLY 72 -6.271 8.865 1.667 563 1HA GLY 72 2HA GLY 72 -6.110 11.278 2.114 564 2HA GLY 72 1HA GLY 72 -7.528 11.103 3.134 565 H LYS 73 H LYS 73 -5.386 8.492 3.480 566 HA LYS 73 HA LYS 73 -3.701 9.735 5.461 567 1HB LYS 73 2HB LYS 73 -6.201 8.673 6.257 568 2HB LYS 73 1HB LYS 73 -4.967 7.560 6.829 569 1HG LYS 73 2HG LYS 73 -3.799 9.618 7.784 570 2HG LYS 73 1HG LYS 73 -5.324 10.459 7.494 571 1HD LYS 73 2HD LYS 73 -5.407 9.707 9.735 572 2HD LYS 73 1HD LYS 73 -6.442 8.614 8.814 573 1HE LYS 73 2HE LYS 73 -4.016 7.375 8.646 574 2HE LYS 73 1HE LYS 73 -3.950 8.084 10.259 575 1HZ LYS 73 1HZ LYS 73 -5.228 6.444 10.975 576 2HZ LYS 73 2HZ LYS 73 -5.331 5.792 9.418 577 3HZ LYS 73 3HZ LYS 73 -6.470 6.930 9.934 578 HA PRO 74 HA PRO 74 -1.106 6.451 3.885 579 1HB PRO 74 2HB PRO 74 0.434 6.939 6.372 580 2HB PRO 74 1HB PRO 74 0.975 6.967 4.691 581 1HG PRO 74 2HG PRO 74 0.672 9.233 6.060 582 2HG PRO 74 1HG PRO 74 0.226 9.133 4.344 583 1HD PRO 74 2HD PRO 74 -1.534 9.088 6.768 584 2HD PRO 74 1HD PRO 74 -1.784 9.895 5.205 585 H LEU 75 H LEU 75 -0.680 4.281 4.359 586 HA LEU 75 HA LEU 75 -1.867 3.301 6.868 587 1HB LEU 75 2HB LEU 75 -2.801 1.437 5.758 588 2HB LEU 75 1HB LEU 75 -3.235 2.852 4.817 589 HG LEU 75 HG LEU 75 -0.924 2.047 3.583 590 1HD1 LEU 75 1HD1 LEU 75 -2.457 -0.457 4.254 591 2HD1 LEU 75 2HD1 LEU 75 -0.932 0.004 5.011 592 3HD1 LEU 75 3HD1 LEU 75 -0.994 -0.321 3.279 593 1HD2 LEU 75 1HD2 LEU 75 -2.822 0.783 2.115 594 2HD2 LEU 75 2HD2 LEU 75 -2.516 2.519 2.067 595 3HD2 LEU 75 3HD2 LEU 75 -3.813 1.880 3.077 596 H VAL 76 H VAL 76 0.702 2.926 4.483 597 HA VAL 76 HA VAL 76 2.155 1.332 6.478 598 HB VAL 76 HB VAL 76 1.217 -0.296 4.941 599 1HG1 VAL 76 1HG1 VAL 76 2.730 0.347 2.581 600 2HG1 VAL 76 2HG1 VAL 76 1.649 1.673 3.012 601 3HG1 VAL 76 3HG1 VAL 76 1.000 0.052 2.760 602 1HG2 VAL 76 1HG2 VAL 76 4.077 -0.147 4.116 603 2HG2 VAL 76 2HG2 VAL 76 3.136 -1.536 4.649 604 3HG2 VAL 76 3HG2 VAL 76 3.685 -0.340 5.822 605 H ASP 77 H ASP 77 4.323 1.661 6.586 606 HA ASP 77 HA ASP 77 5.436 3.734 4.822 607 1HB ASP 77 2HB ASP 77 6.866 2.862 7.283 608 2HB ASP 77 1HB ASP 77 6.768 4.461 6.558 609 H ILE 78 H ILE 78 6.848 3.068 3.321 610 HA ILE 78 HA ILE 78 8.467 0.682 3.889 611 HB ILE 78 HB ILE 78 7.564 1.071 1.086 612 1HG1 ILE 78 2HG1 ILE 78 5.634 -0.610 1.846 613 2HG1 ILE 78 1HG1 ILE 78 5.787 0.301 3.347 614 1HG2 ILE 78 1HG2 ILE 78 8.440 -1.173 2.840 615 2HG2 ILE 78 2HG2 ILE 78 9.027 -0.690 1.248 616 3HG2 ILE 78 3HG2 ILE 78 7.479 -1.521 1.402 617 1HD1 ILE 78 1HD1 ILE 78 5.713 2.160 1.220 618 2HD1 ILE 78 2HD1 ILE 78 4.530 1.897 2.504 619 3HD1 ILE 78 3HD1 ILE 78 4.399 1.005 0.987 620 H GLU 79 H GLU 79 10.524 0.641 2.910 621 HA GLU 79 HA GLU 79 11.416 3.279 1.992 622 1HB GLU 79 2HB GLU 79 12.559 1.250 3.648 623 2HB GLU 79 1HB GLU 79 13.588 1.448 2.236 624 1HG GLU 79 2HG GLU 79 12.790 3.999 3.320 625 2HG GLU 79 1HG GLU 79 13.578 2.997 4.537 626 H THR 80 H THR 80 11.464 3.584 -0.120 627 HA THR 80 HA THR 80 12.450 1.449 -1.874 628 HB THR 80 HB THR 80 10.351 2.914 -3.206 629 HG1 THR 80 1HG THR 80 8.642 1.883 -1.886 630 1HG2 THR 80 1HG2 THR 80 11.448 0.385 -3.268 631 2HG2 THR 80 2HG2 THR 80 10.023 0.915 -4.165 632 3HG2 THR 80 3HG2 THR 80 9.836 0.110 -2.606 633 H GLU 81 H GLU 81 13.232 2.227 -3.943 634 HA GLU 81 HA GLU 81 14.767 4.554 -3.777 635 1HB GLU 81 2HB GLU 81 14.788 2.454 -5.433 636 2HB GLU 81 1HB GLU 81 13.947 3.596 -6.473 637 1HG GLU 81 2HG GLU 81 15.769 5.003 -6.626 638 2HG GLU 81 1HG GLU 81 16.489 4.401 -5.134 639 H ALA 82 H ALA 82 14.606 6.559 -4.925 640 HA ALA 82 HA ALA 82 12.322 7.999 -4.591 641 1HB ALA 82 1HB ALA 82 14.708 8.329 -6.308 642 2HB ALA 82 2HB ALA 82 14.040 9.395 -5.071 643 3HB ALA 82 3HB ALA 82 13.314 9.345 -6.678 644 H LEU 83 H LEU 83 10.338 7.594 -5.303 645 HA LEU 83 HA LEU 83 9.988 6.906 -8.146 646 1HB LEU 83 2HB LEU 83 9.147 5.467 -5.816 647 2HB LEU 83 1HB LEU 83 7.729 6.019 -6.687 648 HG LEU 83 HG LEU 83 9.299 4.990 -8.700 649 1HD1 LEU 83 1HD1 LEU 83 10.891 4.045 -7.147 650 2HD1 LEU 83 2HD1 LEU 83 9.959 2.751 -7.901 651 3HD1 LEU 83 3HD1 LEU 83 9.593 3.256 -6.251 652 1HD2 LEU 83 1HD2 LEU 83 6.851 4.338 -7.296 653 2HD2 LEU 83 2HD2 LEU 83 7.658 2.899 -7.919 654 3HD2 LEU 83 3HD2 LEU 83 7.236 4.216 -9.012 655 H LYS 84 H LYS 84 8.293 7.870 -9.240 656 HA LYS 84 HA LYS 84 7.576 10.463 -8.508 657 1HB LYS 84 2HB LYS 84 6.784 8.547 -10.612 658 2HB LYS 84 1HB LYS 84 5.615 9.815 -10.267 659 1HG LYS 84 2HG LYS 84 7.397 11.494 -10.628 660 2HG LYS 84 1HG LYS 84 8.487 10.185 -11.090 661 1HD LYS 84 2HD LYS 84 7.574 9.994 -13.129 662 2HD LYS 84 1HD LYS 84 5.930 10.137 -12.505 663 1HE LYS 84 2HE LYS 84 5.947 12.114 -13.575 664 2HE LYS 84 1HE LYS 84 6.835 12.667 -12.156 665 1HZ LYS 84 1HZ LYS 84 7.765 13.086 -14.530 666 2HZ LYS 84 2HZ LYS 84 8.317 11.493 -14.403 667 3HZ LYS 84 3HZ LYS 84 8.817 12.651 -13.277 668 H ASP 85 H ASP 85 6.178 7.433 -7.632 669 HA ASP 85 HA ASP 85 3.554 7.872 -7.160 670 1HB ASP 85 2HB ASP 85 4.832 5.798 -6.595 671 2HB ASP 85 1HB ASP 85 5.390 6.597 -5.128 672 H LEU 86 H LEU 86 6.163 8.878 -4.953 673 HA LEU 86 HA LEU 86 4.214 10.602 -3.576 674 1HB LEU 86 2HB LEU 86 5.841 8.725 -2.478 675 2HB LEU 86 1HB LEU 86 6.846 10.153 -2.327 676 HG LEU 86 HG LEU 86 4.771 11.245 -1.241 677 1HD1 LEU 86 1HD1 LEU 86 3.168 9.816 -0.255 678 2HD1 LEU 86 2HD1 LEU 86 4.072 8.370 -0.705 679 3HD1 LEU 86 3HD1 LEU 86 3.280 9.338 -1.949 680 1HD2 LEU 86 1HD2 LEU 86 5.346 10.118 0.960 681 2HD2 LEU 86 2HD2 LEU 86 6.681 10.865 0.082 682 3HD2 LEU 86 3HD2 LEU 86 6.464 9.115 0.036 683 H GLU 87 H GLU 87 7.148 10.533 -5.403 684 HA GLU 87 HA GLU 87 7.088 13.333 -5.853 685 1HB GLU 87 2HB GLU 87 9.467 13.653 -4.857 686 2HB GLU 87 1HB GLU 87 8.072 13.740 -3.790 687 1HG GLU 87 2HG GLU 87 8.688 11.930 -2.634 688 2HG GLU 87 1HG GLU 87 9.193 11.056 -4.079 Start of MODEL 8 1 1H MET 1 1HT MET 1 17.395 8.305 2.588 2 2H MET 1 2HT MET 1 17.372 6.822 3.402 3 3H MET 1 3HT MET 1 18.816 7.399 2.737 4 HA MET 1 HA MET 1 18.473 7.624 5.240 5 1HB MET 1 2HB MET 1 19.346 9.809 3.357 6 2HB MET 1 1HB MET 1 19.539 9.962 5.098 7 1HG MET 1 2HG MET 1 20.606 7.570 3.664 8 2HG MET 1 1HG MET 1 21.502 9.088 3.666 9 1HE MET 1 1HE MET 1 22.235 10.337 5.836 10 2HE MET 1 2HE MET 1 22.174 9.662 7.463 11 3HE MET 1 3HE MET 1 20.689 10.186 6.670 12 H GLY 2 H GLY 2 16.336 7.644 5.992 13 1HA GLY 2 2HA GLY 2 14.603 8.697 7.082 14 2HA GLY 2 1HA GLY 2 15.345 10.234 6.675 15 H GLN 3 H GLN 3 14.922 8.420 3.879 16 HA GLN 3 HA GLN 3 12.408 9.845 3.297 17 1HB GLN 3 2HB GLN 3 14.776 10.106 1.992 18 2HB GLN 3 1HB GLN 3 14.010 8.837 1.047 19 1HG GLN 3 2HG GLN 3 13.156 10.567 -0.093 20 2HG GLN 3 1HG GLN 3 11.972 10.573 1.212 21 1HE2 GLN 3 1HE2 GLN 3 11.550 12.751 1.010 22 2HE2 GLN 3 2HE2 GLN 3 12.676 13.970 1.489 23 H VAL 4 H VAL 4 10.667 8.716 2.690 24 HA VAL 4 HA VAL 4 10.977 5.971 1.726 25 HB VAL 4 HB VAL 4 9.236 5.112 3.200 26 1HG1 VAL 4 1HG1 VAL 4 10.953 4.518 4.470 27 2HG1 VAL 4 2HG1 VAL 4 10.700 5.983 5.420 28 3HG1 VAL 4 3HG1 VAL 4 11.830 5.994 4.066 29 1HG2 VAL 4 1HG2 VAL 4 8.741 6.677 5.247 30 2HG2 VAL 4 2HG2 VAL 4 7.805 6.812 3.759 31 3HG2 VAL 4 3HG2 VAL 4 9.111 7.954 4.086 32 H VAL 5 H VAL 5 9.279 5.220 0.435 33 HA VAL 5 HA VAL 5 7.523 7.338 -0.583 34 HB VAL 5 HB VAL 5 7.050 5.741 -2.446 35 1HG1 VAL 5 1HG1 VAL 5 9.634 5.760 -3.184 36 2HG1 VAL 5 2HG1 VAL 5 9.688 6.918 -1.854 37 3HG1 VAL 5 3HG1 VAL 5 8.600 7.186 -3.216 38 1HG2 VAL 5 1HG2 VAL 5 8.444 3.774 -2.737 39 2HG2 VAL 5 2HG2 VAL 5 7.544 3.660 -1.226 40 3HG2 VAL 5 3HG2 VAL 5 9.252 4.095 -1.204 41 H GLN 6 H GLN 6 5.474 7.384 0.076 42 HA GLN 6 HA GLN 6 4.431 4.999 1.407 43 1HB GLN 6 2HB GLN 6 3.700 7.910 1.612 44 2HB GLN 6 1HB GLN 6 2.719 6.635 2.325 45 1HG GLN 6 2HG GLN 6 4.048 6.517 4.087 46 2HG GLN 6 1HG GLN 6 5.466 6.292 3.063 47 1HE2 GLN 6 1HE2 GLN 6 5.629 8.638 1.731 48 2HE2 GLN 6 2HE2 GLN 6 5.920 9.937 2.831 49 H PHE 7 H PHE 7 2.629 3.998 0.853 50 HA PHE 7 HA PHE 7 1.340 4.834 -1.638 51 1HB PHE 7 2HB PHE 7 2.069 2.590 -1.842 52 2HB PHE 7 1HB PHE 7 1.571 2.190 -0.200 53 HD1 PHE 7 1HD PHE 7 -0.536 1.298 0.231 54 HD2 PHE 7 2HD PHE 7 0.271 3.035 -3.567 55 HE1 PHE 7 1HE PHE 7 -2.683 0.450 -0.607 56 HE2 PHE 7 2HE PHE 7 -1.875 2.190 -4.417 57 HZ PHE 7 HZ PHE 7 -3.361 0.893 -2.934 58 H LYS 8 H LYS 8 -0.770 5.420 -1.666 59 HA LYS 8 HA LYS 8 -2.251 5.250 0.877 60 1HB LYS 8 2HB LYS 8 -3.327 7.378 0.302 61 2HB LYS 8 1HB LYS 8 -1.580 7.561 0.406 62 1HG LYS 8 2HG LYS 8 -1.633 7.182 -2.155 63 2HG LYS 8 1HG LYS 8 -3.345 7.583 -2.010 64 1HD LYS 8 2HD LYS 8 -1.905 9.530 -2.576 65 2HD LYS 8 1HD LYS 8 -2.819 9.739 -1.082 66 1HE LYS 8 2HE LYS 8 -0.356 10.442 -1.082 67 2HE LYS 8 1HE LYS 8 -0.927 9.447 0.258 68 1HZ LYS 8 1HZ LYS 8 0.632 8.541 -2.103 69 2HZ LYS 8 2HZ LYS 8 -0.040 7.492 -0.960 70 3HZ LYS 8 3HZ LYS 8 1.154 8.594 -0.495 71 H LEU 9 H LEU 9 -4.362 4.601 0.802 72 HA LEU 9 HA LEU 9 -5.311 2.847 -1.041 73 1HB LEU 9 2HB LEU 9 -6.327 3.370 1.166 74 2HB LEU 9 1HB LEU 9 -6.992 4.842 0.487 75 HG LEU 9 HG LEU 9 -8.670 3.075 0.690 76 1HD1 LEU 9 1HD1 LEU 9 -8.585 4.794 -1.229 77 2HD1 LEU 9 2HD1 LEU 9 -9.728 3.457 -1.310 78 3HD1 LEU 9 3HD1 LEU 9 -8.230 3.392 -2.238 79 1HD2 LEU 9 1HD2 LEU 9 -7.944 1.388 -1.466 80 2HD2 LEU 9 2HD2 LEU 9 -8.258 0.976 0.224 81 3HD2 LEU 9 3HD2 LEU 9 -6.627 1.421 -0.290 82 H SER 10 H SER 10 -6.033 2.923 -3.096 83 HA SER 10 HA SER 10 -6.888 5.524 -4.182 84 1HB SER 10 2HB SER 10 -4.734 3.721 -5.134 85 2HB SER 10 1HB SER 10 -5.778 4.409 -6.376 86 HG SER 10 HG SER 10 -3.954 5.651 -4.689 87 H ASP 11 H ASP 11 -7.829 5.100 -6.509 88 HA ASP 11 HA ASP 11 -9.280 4.015 -7.916 89 1HB ASP 11 2HB ASP 11 -8.323 1.856 -6.521 90 2HB ASP 11 1HB ASP 11 -10.048 1.789 -6.171 91 H ILE 12 H ILE 12 -9.894 4.833 -4.658 92 HA ILE 12 HA ILE 12 -12.795 4.802 -5.110 93 HB ILE 12 HB ILE 12 -11.170 5.008 -2.575 94 1HG1 ILE 12 2HG1 ILE 12 -12.747 3.014 -2.055 95 2HG1 ILE 12 1HG1 ILE 12 -13.029 2.987 -3.792 96 1HG2 ILE 12 1HG2 ILE 12 -13.034 6.573 -2.380 97 2HG2 ILE 12 2HG2 ILE 12 -13.277 5.175 -1.333 98 3HG2 ILE 12 3HG2 ILE 12 -14.160 5.302 -2.852 99 1HD1 ILE 12 1HD1 ILE 12 -10.731 2.090 -2.248 100 2HD1 ILE 12 2HD1 ILE 12 -10.303 3.067 -3.649 101 3HD1 ILE 12 3HD1 ILE 12 -11.277 1.611 -3.853 102 H GLY 13 H GLY 13 -13.971 6.621 -5.248 103 1HA GLY 13 2HA GLY 13 -12.530 9.140 -5.455 104 2HA GLY 13 1HA GLY 13 -14.206 8.853 -5.906 105 H GLU 14 H GLU 14 -12.675 10.831 -4.098 106 HA GLU 14 HA GLU 14 -13.425 10.491 -1.444 107 1HB GLU 14 2HB GLU 14 -11.922 12.284 -2.541 108 2HB GLU 14 1HB GLU 14 -13.413 13.186 -2.776 109 1HG GLU 14 2HG GLU 14 -13.743 13.480 -0.499 110 2HG GLU 14 1HG GLU 14 -12.666 12.151 -0.072 111 H GLY 15 H GLY 15 -15.541 9.580 -1.449 112 1HA GLY 15 2HA GLY 15 -17.624 11.061 -0.682 113 2HA GLY 15 1HA GLY 15 -17.736 11.220 -2.428 114 H ILE 16 H ILE 16 -16.649 8.433 -2.732 115 HA ILE 16 HA ILE 16 -19.223 7.099 -2.385 116 HB ILE 16 HB ILE 16 -18.502 5.490 -3.996 117 1HG1 ILE 16 2HG1 ILE 16 -15.790 6.795 -4.177 118 2HG1 ILE 16 1HG1 ILE 16 -16.085 5.453 -3.078 119 1HG2 ILE 16 1HG2 ILE 16 -18.936 6.895 -5.645 120 2HG2 ILE 16 2HG2 ILE 16 -17.332 7.617 -5.512 121 3HG2 ILE 16 3HG2 ILE 16 -18.661 8.230 -4.527 122 1HD1 ILE 16 1HD1 ILE 16 -15.752 5.470 -5.973 123 2HD1 ILE 16 2HD1 ILE 16 -17.091 4.476 -5.396 124 3HD1 ILE 16 3HD1 ILE 16 -15.458 4.192 -4.794 125 H ARG 17 H ARG 17 -18.427 4.464 -2.409 126 HA ARG 17 HA ARG 17 -17.894 3.997 0.327 127 1HB ARG 17 2HB ARG 17 -19.286 2.554 -1.220 128 2HB ARG 17 1HB ARG 17 -17.774 1.957 -1.889 129 1HG ARG 17 2HG ARG 17 -17.145 1.238 0.429 130 2HG ARG 17 1HG ARG 17 -18.790 1.642 0.921 131 1HD ARG 17 2HD ARG 17 -18.950 0.041 -1.415 132 2HD ARG 17 1HD ARG 17 -17.826 -0.740 -0.303 133 HE ARG 17 HE ARG 17 -20.242 0.110 0.977 134 1HH1 ARG 17 1HH1 ARG 17 -18.772 -2.410 -0.920 135 2HH1 ARG 17 2HH1 ARG 17 -19.863 -3.639 -0.375 136 1HH2 ARG 17 1HH2 ARG 17 -21.685 -1.497 1.708 137 2HH2 ARG 17 2HH2 ARG 17 -21.523 -3.119 1.121 138 H GLU 18 H GLU 18 -16.163 2.806 1.246 139 HA GLU 18 HA GLU 18 -13.591 3.394 -0.032 140 1HB GLU 18 2HB GLU 18 -14.351 2.687 2.805 141 2HB GLU 18 1HB GLU 18 -12.683 2.810 2.260 142 1HG GLU 18 2HG GLU 18 -12.717 5.046 2.261 143 2HG GLU 18 1HG GLU 18 -14.356 5.127 1.620 144 H VAL 19 H VAL 19 -11.830 1.615 0.580 145 HA VAL 19 HA VAL 19 -13.113 -0.995 0.043 146 HB VAL 19 HB VAL 19 -12.002 -0.047 -1.969 147 1HG1 VAL 19 1HG1 VAL 19 -9.381 -0.633 -0.642 148 2HG1 VAL 19 2HG1 VAL 19 -10.118 0.968 -0.557 149 3HG1 VAL 19 3HG1 VAL 19 -9.703 0.270 -2.122 150 1HG2 VAL 19 1HG2 VAL 19 -10.995 -2.093 -2.656 151 2HG2 VAL 19 2HG2 VAL 19 -12.308 -2.503 -1.554 152 3HG2 VAL 19 3HG2 VAL 19 -10.638 -2.547 -0.990 153 H THR 20 H THR 20 -12.182 -2.847 0.835 154 HA THR 20 HA THR 20 -10.458 -2.458 3.177 155 HB THR 20 HB THR 20 -11.534 -5.154 2.604 156 HG1 THR 20 1HG THR 20 -13.631 -4.653 3.117 157 1HG2 THR 20 1HG2 THR 20 -11.869 -5.222 4.978 158 2HG2 THR 20 2HG2 THR 20 -11.649 -3.479 5.112 159 3HG2 THR 20 3HG2 THR 20 -10.287 -4.504 4.673 160 H VAL 21 H VAL 21 -8.692 -3.944 3.546 161 HA VAL 21 HA VAL 21 -7.283 -4.534 1.088 162 HB VAL 21 HB VAL 21 -6.427 -5.179 3.914 163 1HG1 VAL 21 1HG1 VAL 21 -5.171 -5.413 1.242 164 2HG1 VAL 21 2HG1 VAL 21 -4.973 -6.415 2.681 165 3HG1 VAL 21 3HG1 VAL 21 -4.148 -4.860 2.570 166 1HG2 VAL 21 1HG2 VAL 21 -5.892 -2.744 2.217 167 2HG2 VAL 21 2HG2 VAL 21 -5.043 -3.123 3.716 168 3HG2 VAL 21 3HG2 VAL 21 -6.778 -2.802 3.741 169 H LYS 22 H LYS 22 -7.127 -6.486 0.111 170 HA LYS 22 HA LYS 22 -8.590 -8.691 1.361 171 1HB LYS 22 2HB LYS 22 -8.632 -7.672 -1.216 172 2HB LYS 22 1HB LYS 22 -7.693 -9.151 -1.370 173 1HG LYS 22 2HG LYS 22 -10.104 -9.478 0.233 174 2HG LYS 22 1HG LYS 22 -10.421 -8.974 -1.429 175 1HD LYS 22 2HD LYS 22 -8.398 -11.038 -1.322 176 2HD LYS 22 1HD LYS 22 -9.889 -11.558 -0.532 177 1HE LYS 22 2HE LYS 22 -11.147 -10.875 -2.547 178 2HE LYS 22 1HE LYS 22 -9.619 -10.468 -3.330 179 1HZ LYS 22 1HZ LYS 22 -9.283 -12.585 -3.845 180 2HZ LYS 22 2HZ LYS 22 -10.863 -12.913 -3.338 181 3HZ LYS 22 3HZ LYS 22 -9.573 -13.106 -2.261 182 H GLU 23 H GLU 23 -5.396 -7.797 0.269 183 HA GLU 23 HA GLU 23 -4.413 -10.331 1.366 184 1HB GLU 23 2HB GLU 23 -3.328 -9.192 -1.203 185 2HB GLU 23 1HB GLU 23 -2.958 -10.748 -0.473 186 1HG GLU 23 2HG GLU 23 -5.758 -10.118 -1.279 187 2HG GLU 23 1HG GLU 23 -4.579 -10.606 -2.494 188 H TRP 24 H TRP 24 -2.779 -10.110 2.699 189 HA TRP 24 HA TRP 24 -1.098 -7.696 2.559 190 1HB TRP 24 2HB TRP 24 -2.679 -8.779 4.819 191 2HB TRP 24 1HB TRP 24 -1.042 -8.277 5.217 192 HD1 TRP 24 HD TRP 24 -4.399 -6.948 5.116 193 HE1 TRP 24 1HE TRP 24 -4.404 -4.373 5.062 194 HE3 TRP 24 3HE TRP 24 0.494 -6.157 3.880 195 HZ2 TRP 24 2HZ TRP 24 -2.578 -2.292 4.556 196 HZ3 TRP 24 3HZ TRP 24 1.283 -3.844 3.631 197 HH2 TRP 24 HH TRP 24 -0.220 -1.950 3.957 198 H TYR 25 H TYR 25 0.935 -8.341 2.081 199 HA TYR 25 HA TYR 25 1.817 -10.949 3.153 200 1HB TYR 25 2HB TYR 25 1.760 -10.007 0.492 201 2HB TYR 25 1HB TYR 25 3.452 -10.068 0.964 202 HD1 TYR 25 1HD TYR 25 4.289 -12.292 2.003 203 HD2 TYR 25 2HD TYR 25 0.673 -11.939 -0.211 204 HE1 TYR 25 1HE TYR 25 4.323 -14.714 1.573 205 HE2 TYR 25 2HE TYR 25 0.694 -14.360 -0.644 206 HH TYR 25 HH TYR 25 3.187 -16.465 0.742 207 H VAL 26 H VAL 26 2.171 -7.831 3.880 208 HA VAL 26 HA VAL 26 4.964 -8.223 4.702 209 HB VAL 26 HB VAL 26 5.514 -5.911 4.238 210 1HG1 VAL 26 1HG1 VAL 26 6.126 -7.027 2.372 211 2HG1 VAL 26 2HG1 VAL 26 4.876 -6.014 1.653 212 3HG1 VAL 26 3HG1 VAL 26 4.512 -7.680 2.098 213 1HG2 VAL 26 1HG2 VAL 26 3.625 -4.620 4.523 214 2HG2 VAL 26 2HG2 VAL 26 2.604 -5.719 3.596 215 3HG2 VAL 26 3HG2 VAL 26 3.745 -4.662 2.765 216 H LYS 27 H LYS 27 5.602 -6.651 6.458 217 HA LYS 27 HA LYS 27 3.392 -5.736 8.126 218 1HB LYS 27 2HB LYS 27 5.352 -7.874 8.923 219 2HB LYS 27 1HB LYS 27 4.516 -6.891 10.117 220 1HG LYS 27 2HG LYS 27 2.456 -7.734 8.537 221 2HG LYS 27 1HG LYS 27 3.543 -9.124 8.508 222 1HD LYS 27 2HD LYS 27 2.768 -9.707 10.512 223 2HD LYS 27 1HD LYS 27 3.478 -8.233 11.172 224 1HE LYS 27 2HE LYS 27 1.259 -7.176 10.168 225 2HE LYS 27 1HE LYS 27 0.669 -8.819 10.413 226 1HZ LYS 27 1HZ LYS 27 0.222 -8.002 12.452 227 2HZ LYS 27 2HZ LYS 27 1.409 -6.801 12.372 228 3HZ LYS 27 3HZ LYS 27 1.842 -8.392 12.747 229 H GLU 28 H GLU 28 4.286 -4.657 10.149 230 HA GLU 28 HA GLU 28 5.964 -2.546 9.404 231 1HB GLU 28 2HB GLU 28 5.818 -3.346 12.284 232 2HB GLU 28 1HB GLU 28 5.742 -1.745 11.569 233 1HG GLU 28 2HG GLU 28 3.462 -2.467 10.659 234 2HG GLU 28 1HG GLU 28 3.577 -3.794 11.813 235 H GLY 29 H GLY 29 8.151 -2.178 9.581 236 1HA GLY 29 2HA GLY 29 10.382 -2.625 9.977 237 2HA GLY 29 1HA GLY 29 9.874 -3.834 11.146 238 H ASP 30 H ASP 30 8.347 -4.485 8.246 239 HA ASP 30 HA ASP 30 10.319 -6.574 7.655 240 1HB ASP 30 2HB ASP 30 7.518 -6.622 7.903 241 2HB ASP 30 1HB ASP 30 7.851 -6.857 6.189 242 H THR 31 H THR 31 10.895 -7.066 5.491 243 HA THR 31 HA THR 31 10.905 -4.694 3.771 244 HB THR 31 HB THR 31 12.582 -7.174 3.403 245 HG1 THR 31 1HG THR 31 13.283 -6.456 5.339 246 1HG2 THR 31 1HG2 THR 31 13.948 -5.819 2.017 247 2HG2 THR 31 2HG2 THR 31 13.149 -4.339 2.550 248 3HG2 THR 31 3HG2 THR 31 12.287 -5.485 1.524 249 H VAL 32 H VAL 32 10.462 -4.807 1.575 250 HA VAL 32 HA VAL 32 8.718 -7.031 0.774 251 HB VAL 32 HB VAL 32 8.332 -4.992 -1.082 252 1HG1 VAL 32 1HG1 VAL 32 6.836 -6.603 0.546 253 2HG1 VAL 32 2HG1 VAL 32 6.206 -5.418 -0.598 254 3HG1 VAL 32 3HG1 VAL 32 6.416 -4.983 1.098 255 1HG2 VAL 32 1HG2 VAL 32 7.614 -3.086 0.433 256 2HG2 VAL 32 2HG2 VAL 32 9.344 -3.266 0.149 257 3HG2 VAL 32 3HG2 VAL 32 8.638 -3.819 1.668 258 H SER 33 H SER 33 8.665 -7.395 -1.635 259 HA SER 33 HA SER 33 11.301 -7.000 -2.871 260 1HB SER 33 2HB SER 33 9.968 -9.558 -3.500 261 2HB SER 33 1HB SER 33 11.675 -9.212 -3.228 262 HG SER 33 HG SER 33 10.893 -8.933 -0.916 263 H GLN 34 H GLN 34 11.257 -7.321 -5.238 264 HA GLN 34 HA GLN 34 9.277 -5.787 -6.447 265 1HB GLN 34 2HB GLN 34 10.295 -6.336 -8.533 266 2HB GLN 34 1HB GLN 34 11.581 -6.243 -7.337 267 1HG GLN 34 2HG GLN 34 11.020 -8.859 -7.191 268 2HG GLN 34 1HG GLN 34 10.573 -8.548 -8.868 269 1HE2 GLN 34 1HE2 GLN 34 12.345 -6.792 -9.752 270 2HE2 GLN 34 2HE2 GLN 34 13.956 -7.408 -9.651 271 H PHE 35 H PHE 35 9.356 -9.177 -5.757 272 HA PHE 35 HA PHE 35 7.006 -9.638 -7.454 273 1HB PHE 35 2HB PHE 35 9.195 -11.328 -6.446 274 2HB PHE 35 1HB PHE 35 7.604 -12.081 -6.383 275 HD1 PHE 35 1HD PHE 35 6.188 -11.817 -8.598 276 HD2 PHE 35 2HD PHE 35 10.427 -11.537 -8.365 277 HE1 PHE 35 1HE PHE 35 6.350 -12.349 -10.994 278 HE2 PHE 35 2HE PHE 35 10.597 -12.069 -10.761 279 HZ PHE 35 HZ PHE 35 8.558 -12.476 -12.078 280 H ASP 36 H ASP 36 7.949 -9.222 -4.176 281 HA ASP 36 HA ASP 36 5.510 -10.447 -3.149 282 1HB ASP 36 2HB ASP 36 8.012 -10.380 -2.116 283 2HB ASP 36 1HB ASP 36 7.303 -8.988 -1.302 284 H SER 37 H SER 37 3.804 -9.180 -3.590 285 HA SER 37 HA SER 37 3.816 -6.363 -3.640 286 1HB SER 37 2HB SER 37 1.529 -8.320 -3.322 287 2HB SER 37 1HB SER 37 1.328 -6.595 -3.628 288 HG SER 37 HG SER 37 2.725 -8.414 -5.305 289 H ILE 38 H ILE 38 2.905 -4.849 -2.188 290 HA ILE 38 HA ILE 38 3.405 -5.443 0.585 291 HB ILE 38 HB ILE 38 2.292 -2.937 -0.692 292 1HG1 ILE 38 2HG1 ILE 38 5.072 -3.868 0.001 293 2HG1 ILE 38 1HG1 ILE 38 4.476 -3.260 -1.537 294 1HG2 ILE 38 1HG2 ILE 38 1.994 -3.508 1.892 295 2HG2 ILE 38 2HG2 ILE 38 2.340 -1.877 1.325 296 3HG2 ILE 38 3HG2 ILE 38 3.641 -2.888 1.954 297 1HD1 ILE 38 1HD1 ILE 38 6.007 -1.744 -0.229 298 2HD1 ILE 38 2HD1 ILE 38 4.677 -1.534 0.911 299 3HD1 ILE 38 3HD1 ILE 38 4.483 -1.038 -0.770 300 H CYS 39 H CYS 39 0.553 -3.915 -0.892 301 HA CYS 39 HA CYS 39 -1.175 -5.730 0.631 302 1HB CYS 39 2HB CYS 39 -2.656 -3.511 0.852 303 2HB CYS 39 1HB CYS 39 -1.495 -3.997 2.079 304 HG CYS 39 HG CYS 39 0.135 -2.194 -0.077 305 H GLU 40 H GLU 40 -3.361 -5.857 -0.202 306 HA GLU 40 HA GLU 40 -3.722 -4.784 -2.904 307 1HB GLU 40 2HB GLU 40 -2.809 -7.050 -3.165 308 2HB GLU 40 1HB GLU 40 -4.108 -7.689 -2.166 309 1HG GLU 40 2HG GLU 40 -5.424 -6.271 -4.145 310 2HG GLU 40 1HG GLU 40 -4.084 -7.047 -4.986 311 H VAL 41 H VAL 41 -5.658 -3.899 -3.145 312 HA VAL 41 HA VAL 41 -7.814 -4.728 -1.311 313 HB VAL 41 HB VAL 41 -8.804 -2.469 -1.739 314 1HG1 VAL 41 1HG1 VAL 41 -6.304 -2.996 -0.264 315 2HG1 VAL 41 2HG1 VAL 41 -7.864 -2.409 0.314 316 3HG1 VAL 41 3HG1 VAL 41 -6.744 -1.301 -0.478 317 1HG2 VAL 41 1HG2 VAL 41 -6.143 -1.527 -2.682 318 2HG2 VAL 41 2HG2 VAL 41 -7.743 -0.824 -2.925 319 3HG2 VAL 41 3HG2 VAL 41 -7.253 -2.245 -3.850 320 H GLN 42 H GLN 42 -9.822 -5.183 -2.141 321 HA GLN 42 HA GLN 42 -10.157 -4.967 -5.052 322 1HB GLN 42 2HB GLN 42 -10.694 -7.414 -3.361 323 2HB GLN 42 1HB GLN 42 -11.240 -7.228 -5.022 324 1HG GLN 42 2HG GLN 42 -8.643 -6.726 -5.377 325 2HG GLN 42 1HG GLN 42 -8.536 -7.764 -3.957 326 1HE2 GLN 42 1HE2 GLN 42 -7.332 -8.907 -5.843 327 2HE2 GLN 42 2HE2 GLN 42 -8.264 -10.086 -6.694 328 H SER 43 H SER 43 -11.918 -3.840 -5.484 329 HA SER 43 HA SER 43 -14.112 -3.825 -3.526 330 1HB SER 43 2HB SER 43 -14.762 -1.758 -5.080 331 2HB SER 43 1HB SER 43 -13.602 -1.593 -3.762 332 HG SER 43 HG SER 43 -12.198 -1.052 -5.210 333 H ASP 44 H ASP 44 -16.256 -4.079 -4.220 334 HA ASP 44 HA ASP 44 -16.819 -6.053 -6.024 335 1HB ASP 44 2HB ASP 44 -18.327 -4.710 -4.296 336 2HB ASP 44 1HB ASP 44 -18.824 -3.858 -5.757 337 H LYS 45 H LYS 45 -16.260 -2.678 -6.672 338 HA LYS 45 HA LYS 45 -17.294 -2.777 -9.354 339 1HB LYS 45 2HB LYS 45 -16.412 -0.509 -9.575 340 2HB LYS 45 1HB LYS 45 -17.332 -0.679 -8.087 341 1HG LYS 45 2HG LYS 45 -15.139 -1.031 -6.904 342 2HG LYS 45 1HG LYS 45 -14.348 -0.551 -8.407 343 1HD LYS 45 2HD LYS 45 -16.477 1.230 -7.367 344 2HD LYS 45 1HD LYS 45 -14.955 1.186 -6.474 345 1HE LYS 45 2HE LYS 45 -14.475 2.843 -7.971 346 2HE LYS 45 1HE LYS 45 -13.930 1.442 -8.893 347 1HZ LYS 45 1HZ LYS 45 -16.159 1.422 -9.956 348 2HZ LYS 45 2HZ LYS 45 -15.244 2.800 -10.310 349 3HZ LYS 45 3HZ LYS 45 -16.504 2.888 -9.183 350 H ALA 46 H ALA 46 -14.024 -2.558 -7.930 351 HA ALA 46 HA ALA 46 -12.990 -4.027 -10.219 352 1HB ALA 46 1HB ALA 46 -12.862 -1.673 -10.903 353 2HB ALA 46 2HB ALA 46 -11.266 -2.401 -10.732 354 3HB ALA 46 3HB ALA 46 -11.880 -1.324 -9.480 355 H SER 47 H SER 47 -10.730 -4.670 -9.947 356 HA SER 47 HA SER 47 -10.035 -4.985 -7.101 357 1HB SER 47 2HB SER 47 -8.651 -6.902 -8.687 358 2HB SER 47 1HB SER 47 -9.914 -7.190 -7.490 359 HG SER 47 HG SER 47 -10.909 -7.916 -9.219 360 H VAL 48 H VAL 48 -8.042 -4.365 -6.424 361 HA VAL 48 HA VAL 48 -6.082 -3.578 -8.473 362 HB VAL 48 HB VAL 48 -6.473 -1.949 -5.977 363 1HG1 VAL 48 1HG1 VAL 48 -4.591 -1.955 -8.070 364 2HG1 VAL 48 2HG1 VAL 48 -4.754 -0.782 -6.764 365 3HG1 VAL 48 3HG1 VAL 48 -5.590 -0.519 -8.293 366 1HG2 VAL 48 1HG2 VAL 48 -7.575 -0.406 -7.929 367 2HG2 VAL 48 2HG2 VAL 48 -8.497 -1.377 -6.781 368 3HG2 VAL 48 3HG2 VAL 48 -8.147 -2.009 -8.390 369 H THR 49 H THR 49 -4.044 -4.190 -8.093 370 HA THR 49 HA THR 49 -3.384 -5.243 -5.418 371 HB THR 49 HB THR 49 -2.106 -6.990 -6.348 372 HG1 THR 49 1HG THR 49 -2.471 -5.886 -8.948 373 1HG2 THR 49 1HG2 THR 49 -3.978 -8.116 -6.780 374 2HG2 THR 49 2HG2 THR 49 -3.907 -7.529 -8.441 375 3HG2 THR 49 3HG2 THR 49 -4.817 -6.631 -7.227 376 H ILE 50 H ILE 50 -1.611 -4.412 -4.461 377 HA ILE 50 HA ILE 50 -0.096 -2.415 -5.970 378 HB ILE 50 HB ILE 50 -0.059 -2.873 -2.995 379 1HG1 ILE 50 2HG1 ILE 50 -2.338 -2.364 -3.725 380 2HG1 ILE 50 1HG1 ILE 50 -1.647 -0.999 -2.857 381 1HG2 ILE 50 1HG2 ILE 50 1.711 -1.490 -4.449 382 2HG2 ILE 50 2HG2 ILE 50 1.231 -1.025 -2.816 383 3HG2 ILE 50 3HG2 ILE 50 0.493 -0.238 -4.212 384 1HD1 ILE 50 1HD1 ILE 50 -2.833 -0.153 -4.733 385 2HD1 ILE 50 2HD1 ILE 50 -2.026 -1.280 -5.823 386 3HD1 ILE 50 3HD1 ILE 50 -1.112 0.027 -5.072 387 H THR 51 H THR 51 1.668 -3.167 -6.919 388 HA THR 51 HA THR 51 3.279 -5.234 -5.638 389 HB THR 51 HB THR 51 4.581 -5.255 -7.723 390 HG1 THR 51 1HG THR 51 2.721 -3.287 -8.618 391 1HG2 THR 51 1HG2 THR 51 2.942 -6.283 -9.096 392 2HG2 THR 51 2HG2 THR 51 1.645 -5.322 -8.387 393 3HG2 THR 51 3HG2 THR 51 2.441 -6.571 -7.430 394 H SER 52 H SER 52 5.790 -4.771 -6.208 395 HA SER 52 HA SER 52 6.366 -2.120 -5.058 396 1HB SER 52 2HB SER 52 8.128 -4.533 -4.686 397 2HB SER 52 1HB SER 52 8.094 -3.043 -3.744 398 HG SER 52 HG SER 52 6.244 -3.689 -2.770 399 H ARG 53 H ARG 53 7.471 -4.631 -7.278 400 HA ARG 53 HA ARG 53 8.825 -4.594 -9.089 401 1HB ARG 53 2HB ARG 53 8.770 -2.769 -10.487 402 2HB ARG 53 1HB ARG 53 7.374 -2.448 -9.477 403 1HG ARG 53 2HG ARG 53 8.199 -0.461 -8.968 404 2HG ARG 53 1HG ARG 53 9.631 -1.206 -8.264 405 1HD ARG 53 2HD ARG 53 10.162 0.417 -10.049 406 2HD ARG 53 1HD ARG 53 10.744 -1.211 -10.398 407 HE ARG 53 HE ARG 53 8.192 -0.852 -11.540 408 1HH1 ARG 53 1HH1 ARG 53 11.502 0.163 -11.949 409 2HH1 ARG 53 2HH1 ARG 53 11.349 0.412 -13.656 410 1HH2 ARG 53 1HH2 ARG 53 7.988 -0.528 -13.794 411 2HH2 ARG 53 2HH2 ARG 53 9.357 0.022 -14.703 412 H TYR 54 H TYR 54 9.782 -3.938 -6.177 413 HA TYR 54 HA TYR 54 12.537 -4.167 -6.656 414 1HB TYR 54 2HB TYR 54 11.534 -1.486 -6.705 415 2HB TYR 54 1HB TYR 54 12.486 -1.692 -5.240 416 HD1 TYR 54 1HD TYR 54 14.884 -2.271 -5.394 417 HD2 TYR 54 2HD TYR 54 12.567 -1.459 -8.867 418 HE1 TYR 54 1HE TYR 54 16.949 -1.966 -6.693 419 HE2 TYR 54 2HE TYR 54 14.623 -1.157 -10.176 420 HH TYR 54 HH TYR 54 17.154 -2.091 -9.876 421 H ASP 55 H ASP 55 13.744 -3.832 -4.455 422 HA ASP 55 HA ASP 55 11.978 -4.950 -2.400 423 1HB ASP 55 2HB ASP 55 14.991 -4.805 -2.278 424 2HB ASP 55 1HB ASP 55 13.914 -5.830 -1.335 425 H GLY 56 H GLY 56 11.353 -3.792 -0.705 426 1HA GLY 56 2HA GLY 56 12.987 -1.481 0.087 427 2HA GLY 56 1HA GLY 56 11.270 -1.263 -0.215 428 H VAL 57 H VAL 57 12.383 -0.579 2.204 429 HA VAL 57 HA VAL 57 11.681 -2.773 4.023 430 HB VAL 57 HB VAL 57 12.914 -0.142 4.813 431 1HG1 VAL 57 1HG1 VAL 57 13.621 -2.523 6.311 432 2HG1 VAL 57 2HG1 VAL 57 11.882 -2.227 6.303 433 3HG1 VAL 57 3HG1 VAL 57 12.987 -0.978 6.876 434 1HG2 VAL 57 1HG2 VAL 57 14.225 -2.631 3.768 435 2HG2 VAL 57 2HG2 VAL 57 15.070 -1.521 4.846 436 3HG2 VAL 57 3HG2 VAL 57 14.485 -0.954 3.283 437 H ILE 58 H ILE 58 9.772 -2.804 4.980 438 HA ILE 58 HA ILE 58 8.147 -0.360 5.030 439 HB ILE 58 HB ILE 58 7.253 -3.179 5.644 440 1HG1 ILE 58 2HG1 ILE 58 7.022 -1.668 3.036 441 2HG1 ILE 58 1HG1 ILE 58 8.213 -2.929 3.348 442 1HG2 ILE 58 1HG2 ILE 58 5.605 -1.794 6.475 443 2HG2 ILE 58 2HG2 ILE 58 5.045 -2.072 4.824 444 3HG2 ILE 58 3HG2 ILE 58 5.868 -0.566 5.237 445 1HD1 ILE 58 1HD1 ILE 58 5.761 -3.309 2.230 446 2HD1 ILE 58 2HD1 ILE 58 5.475 -3.745 3.915 447 3HD1 ILE 58 3HD1 ILE 58 6.741 -4.559 2.998 448 H LYS 59 H LYS 59 7.875 0.728 6.868 449 HA LYS 59 HA LYS 59 8.952 -0.443 9.317 450 1HB LYS 59 2HB LYS 59 9.517 1.891 8.280 451 2HB LYS 59 1HB LYS 59 8.060 2.392 9.129 452 1HG LYS 59 2HG LYS 59 8.980 1.738 11.236 453 2HG LYS 59 1HG LYS 59 10.380 1.003 10.451 454 1HD LYS 59 2HD LYS 59 9.814 3.878 9.926 455 2HD LYS 59 1HD LYS 59 10.490 3.433 11.495 456 1HE LYS 59 2HE LYS 59 12.381 2.385 10.438 457 2HE LYS 59 1HE LYS 59 11.675 2.632 8.841 458 1HZ LYS 59 1HZ LYS 59 12.994 4.552 10.606 459 2HZ LYS 59 2HZ LYS 59 11.718 5.122 9.654 460 3HZ LYS 59 3HZ LYS 59 13.062 4.407 8.922 461 H LYS 60 H LYS 60 5.841 0.692 8.094 462 HA LYS 60 HA LYS 60 4.635 -0.393 10.493 463 1HB LYS 60 2HB LYS 60 3.592 1.548 11.290 464 2HB LYS 60 1HB LYS 60 5.250 2.026 10.967 465 1HG LYS 60 2HG LYS 60 2.981 2.506 9.051 466 2HG LYS 60 1HG LYS 60 3.498 3.670 10.273 467 1HD LYS 60 2HD LYS 60 5.282 2.539 8.119 468 2HD LYS 60 1HD LYS 60 4.459 4.094 8.023 469 1HE LYS 60 2HE LYS 60 6.442 3.313 10.157 470 2HE LYS 60 1HE LYS 60 6.819 4.280 8.735 471 1HZ LYS 60 1HZ LYS 60 6.448 5.748 10.542 472 2HZ LYS 60 2HZ LYS 60 4.990 4.999 10.955 473 3HZ LYS 60 3HZ LYS 60 5.108 5.884 9.519 474 H LEU 61 H LEU 61 2.468 -0.827 10.373 475 HA LEU 61 HA LEU 61 1.097 -0.341 7.832 476 1HB LEU 61 2HB LEU 61 1.688 -2.999 9.100 477 2HB LEU 61 1HB LEU 61 0.257 -2.792 8.104 478 HG LEU 61 HG LEU 61 3.099 -2.328 7.187 479 1HD1 LEU 61 1HD1 LEU 61 1.683 -4.381 5.792 480 2HD1 LEU 61 2HD1 LEU 61 1.688 -4.729 7.518 481 3HD1 LEU 61 3HD1 LEU 61 3.210 -4.474 6.665 482 1HD2 LEU 61 1HD2 LEU 61 1.932 -0.934 5.821 483 2HD2 LEU 61 2HD2 LEU 61 0.440 -1.859 5.962 484 3HD2 LEU 61 3HD2 LEU 61 1.747 -2.445 4.933 485 H TYR 62 H TYR 62 -0.738 0.669 8.336 486 HA TYR 62 HA TYR 62 -1.898 0.346 10.989 487 1HB TYR 62 2HB TYR 62 -1.488 2.593 9.892 488 2HB TYR 62 1HB TYR 62 -2.812 2.206 8.800 489 HD1 TYR 62 1HD TYR 62 -5.090 1.637 9.905 490 HD2 TYR 62 2HD TYR 62 -1.922 3.644 11.914 491 HE1 TYR 62 1HE TYR 62 -6.700 2.532 11.538 492 HE2 TYR 62 2HE TYR 62 -3.519 4.541 13.552 493 HH TYR 62 HH TYR 62 -6.223 5.036 13.408 494 H TYR 63 H TYR 63 -2.937 0.050 7.594 495 HA TYR 63 HA TYR 63 -5.495 -1.032 8.448 496 1HB TYR 63 2HB TYR 63 -4.423 -0.584 5.657 497 2HB TYR 63 1HB TYR 63 -6.079 -1.014 6.071 498 HD1 TYR 63 1HD TYR 63 -7.657 0.661 6.415 499 HD2 TYR 63 2HD TYR 63 -3.523 1.639 6.643 500 HE1 TYR 63 1HE TYR 63 -8.238 3.046 6.592 501 HE2 TYR 63 2HE TYR 63 -4.091 4.026 6.824 502 HH TYR 63 HH TYR 63 -7.203 5.227 6.181 503 H ASN 64 H ASN 64 -6.270 -3.070 7.925 504 HA ASN 64 HA ASN 64 -4.249 -5.038 7.096 505 1HB ASN 64 2HB ASN 64 -6.361 -5.417 9.228 506 2HB ASN 64 1HB ASN 64 -5.239 -6.657 8.659 507 1HD2 ASN 64 1HD2 ASN 64 -4.545 -6.844 10.848 508 2HD2 ASN 64 2HD2 ASN 64 -3.422 -5.711 11.511 509 H LEU 65 H LEU 65 -5.604 -7.245 6.902 510 HA LEU 65 HA LEU 65 -6.950 -7.135 4.501 511 1HB LEU 65 2HB LEU 65 -6.856 -9.163 6.705 512 2HB LEU 65 1HB LEU 65 -7.736 -9.454 5.227 513 HG LEU 65 HG LEU 65 -5.161 -8.610 4.456 514 1HD1 LEU 65 1HD1 LEU 65 -5.167 -10.510 6.776 515 2HD1 LEU 65 2HD1 LEU 65 -4.182 -9.068 6.528 516 3HD1 LEU 65 3HD1 LEU 65 -3.877 -10.518 5.571 517 1HD2 LEU 65 1HD2 LEU 65 -5.198 -10.523 3.204 518 2HD2 LEU 65 2HD2 LEU 65 -6.915 -10.359 3.566 519 3HD2 LEU 65 3HD2 LEU 65 -5.925 -11.487 4.492 520 H ASP 66 H ASP 66 -8.171 -6.469 7.658 521 HA ASP 66 HA ASP 66 -10.931 -6.847 6.722 522 1HB ASP 66 2HB ASP 66 -9.989 -7.902 8.903 523 2HB ASP 66 1HB ASP 66 -10.214 -6.290 9.575 524 H ASP 67 H ASP 67 -8.693 -4.390 7.767 525 HA ASP 67 HA ASP 67 -10.723 -2.429 8.292 526 1HB ASP 67 2HB ASP 67 -7.936 -2.645 8.727 527 2HB ASP 67 1HB ASP 67 -8.198 -1.198 7.759 528 H ILE 68 H ILE 68 -11.038 -0.473 7.154 529 HA ILE 68 HA ILE 68 -10.689 -0.741 4.239 530 HB ILE 68 HB ILE 68 -12.603 1.232 5.373 531 1HG1 ILE 68 2HG1 ILE 68 -12.962 -0.995 6.590 532 2HG1 ILE 68 1HG1 ILE 68 -14.355 -0.306 5.765 533 1HG2 ILE 68 1HG2 ILE 68 -13.731 0.940 3.334 534 2HG2 ILE 68 2HG2 ILE 68 -12.932 -0.597 3.016 535 3HG2 ILE 68 3HG2 ILE 68 -12.013 0.907 2.924 536 1HD1 ILE 68 1HD1 ILE 68 -12.756 -2.139 4.150 537 2HD1 ILE 68 2HD1 ILE 68 -14.505 -2.018 4.336 538 3HD1 ILE 68 3HD1 ILE 68 -13.544 -2.873 5.545 539 H ALA 69 H ALA 69 -9.858 0.902 3.076 540 HA ALA 69 HA ALA 69 -8.800 3.173 4.611 541 1HB ALA 69 1HB ALA 69 -6.956 3.279 3.054 542 2HB ALA 69 2HB ALA 69 -7.652 1.977 2.090 543 3HB ALA 69 3HB ALA 69 -7.068 1.648 3.721 544 H TYR 70 H TYR 70 -8.672 5.196 3.485 545 HA TYR 70 HA TYR 70 -10.547 5.477 1.242 546 1HB TYR 70 2HB TYR 70 -11.518 7.448 2.253 547 2HB TYR 70 1HB TYR 70 -11.620 6.117 3.402 548 HD1 TYR 70 1HD TYR 70 -9.805 5.985 5.217 549 HD2 TYR 70 2HD TYR 70 -10.538 9.464 2.883 550 HE1 TYR 70 1HE TYR 70 -8.668 7.355 6.914 551 HE2 TYR 70 2HE TYR 70 -9.404 10.845 4.569 552 HH TYR 70 HH TYR 70 -8.677 10.852 6.764 553 H VAL 71 H VAL 71 -9.831 6.742 -0.387 554 HA VAL 71 HA VAL 71 -7.176 7.484 -0.625 555 HB VAL 71 HB VAL 71 -9.419 8.883 -2.076 556 1HG1 VAL 71 1HG1 VAL 71 -6.845 8.112 -3.337 557 2HG1 VAL 71 2HG1 VAL 71 -6.835 9.466 -2.206 558 3HG1 VAL 71 3HG1 VAL 71 -7.874 9.511 -3.631 559 1HG2 VAL 71 1HG2 VAL 71 -9.935 6.590 -2.323 560 2HG2 VAL 71 2HG2 VAL 71 -8.240 6.156 -2.530 561 3HG2 VAL 71 3HG2 VAL 71 -9.074 7.050 -3.792 562 H GLY 72 H GLY 72 -5.990 9.295 -0.235 563 1HA GLY 72 2HA GLY 72 -6.027 11.761 0.024 564 2HA GLY 72 1HA GLY 72 -7.391 11.526 1.104 565 H LYS 73 H LYS 73 -5.251 9.036 1.672 566 HA LYS 73 HA LYS 73 -3.467 10.499 3.412 567 1HB LYS 73 2HB LYS 73 -5.904 9.250 4.394 568 2HB LYS 73 1HB LYS 73 -4.475 8.607 5.186 569 1HG LYS 73 2HG LYS 73 -5.064 11.548 4.970 570 2HG LYS 73 1HG LYS 73 -5.575 10.548 6.330 571 1HD LYS 73 2HD LYS 73 -2.757 11.132 5.436 572 2HD LYS 73 1HD LYS 73 -3.535 11.643 6.933 573 1HE LYS 73 2HE LYS 73 -3.753 9.242 7.561 574 2HE LYS 73 1HE LYS 73 -2.811 8.829 6.129 575 1HZ LYS 73 1HZ LYS 73 -1.262 8.898 7.841 576 2HZ LYS 73 2HZ LYS 73 -1.935 10.281 8.547 577 3HZ LYS 73 3HZ LYS 73 -1.079 10.405 7.093 578 HA PRO 74 HA PRO 74 -0.792 7.161 2.123 579 1HB PRO 74 2HB PRO 74 0.508 7.866 4.725 580 2HB PRO 74 1HB PRO 74 1.239 7.640 3.129 581 1HG PRO 74 2HG PRO 74 0.899 10.086 4.033 582 2HG PRO 74 1HG PRO 74 0.466 9.711 2.348 583 1HD PRO 74 2HD PRO 74 -1.322 10.026 4.736 584 2HD PRO 74 1HD PRO 74 -1.539 10.634 3.080 585 H LEU 75 H LEU 75 -0.541 5.013 2.596 586 HA LEU 75 HA LEU 75 -2.017 4.050 4.942 587 1HB LEU 75 2HB LEU 75 -2.744 3.349 2.643 588 2HB LEU 75 1HB LEU 75 -1.223 2.491 2.486 589 HG LEU 75 HG LEU 75 -2.387 1.619 4.906 590 1HD1 LEU 75 1HD1 LEU 75 -4.352 1.456 2.625 591 2HD1 LEU 75 2HD1 LEU 75 -4.504 2.554 3.996 592 3HD1 LEU 75 3HD1 LEU 75 -4.545 0.811 4.257 593 1HD2 LEU 75 1HD2 LEU 75 -0.913 0.385 3.313 594 2HD2 LEU 75 2HD2 LEU 75 -2.306 0.205 2.247 595 3HD2 LEU 75 3HD2 LEU 75 -2.325 -0.524 3.850 596 H VAL 76 H VAL 76 0.968 3.419 3.090 597 HA VAL 76 HA VAL 76 2.217 2.546 5.600 598 HB VAL 76 HB VAL 76 1.532 0.473 4.556 599 1HG1 VAL 76 1HG1 VAL 76 2.270 -0.189 2.349 600 2HG1 VAL 76 2HG1 VAL 76 3.117 1.344 2.147 601 3HG1 VAL 76 3HG1 VAL 76 1.358 1.319 2.255 602 1HG2 VAL 76 1HG2 VAL 76 4.454 0.598 3.943 603 2HG2 VAL 76 2HG2 VAL 76 3.533 -0.661 4.767 604 3HG2 VAL 76 3HG2 VAL 76 3.898 0.852 5.597 605 H ASP 77 H ASP 77 4.502 2.708 5.662 606 HA ASP 77 HA ASP 77 5.619 4.430 3.550 607 1HB ASP 77 2HB ASP 77 6.783 4.213 6.316 608 2HB ASP 77 1HB ASP 77 7.026 5.477 5.124 609 H ILE 78 H ILE 78 7.163 3.583 2.331 610 HA ILE 78 HA ILE 78 8.838 1.452 3.453 611 HB ILE 78 HB ILE 78 8.023 1.204 0.601 612 1HG1 ILE 78 2HG1 ILE 78 6.202 -0.431 1.586 613 2HG1 ILE 78 1HG1 ILE 78 6.266 0.667 2.963 614 1HG2 ILE 78 1HG2 ILE 78 8.325 -1.189 1.105 615 2HG2 ILE 78 2HG2 ILE 78 8.710 -0.766 2.772 616 3HG2 ILE 78 3HG2 ILE 78 9.761 -0.230 1.463 617 1HD1 ILE 78 1HD1 ILE 78 4.687 0.967 0.760 618 2HD1 ILE 78 2HD1 ILE 78 6.044 2.038 0.404 619 3HD1 ILE 78 3HD1 ILE 78 5.123 2.244 1.895 620 H GLU 79 H GLU 79 10.912 1.253 2.564 621 HA GLU 79 HA GLU 79 11.811 3.641 1.117 622 1HB GLU 79 2HB GLU 79 13.416 1.532 2.580 623 2HB GLU 79 1HB GLU 79 14.076 2.973 1.820 624 1HG GLU 79 2HG GLU 79 12.812 4.370 3.377 625 2HG GLU 79 1HG GLU 79 12.167 2.921 4.146 626 H THR 80 H THR 80 11.982 3.449 -0.993 627 HA THR 80 HA THR 80 13.087 0.998 -2.148 628 HB THR 80 HB THR 80 11.315 1.465 -4.069 629 HG1 THR 80 1HG THR 80 9.730 2.107 -1.817 630 1HG2 THR 80 1HG2 THR 80 10.266 -0.450 -3.403 631 2HG2 THR 80 2HG2 THR 80 10.110 0.087 -1.731 632 3HG2 THR 80 3HG2 THR 80 11.656 -0.523 -2.320 633 H GLU 81 H GLU 81 13.931 1.320 -4.344 634 HA GLU 81 HA GLU 81 15.471 3.623 -4.584 635 1HB GLU 81 2HB GLU 81 15.187 1.228 -5.999 636 2HB GLU 81 1HB GLU 81 14.857 2.485 -7.183 637 1HG GLU 81 2HG GLU 81 17.167 2.017 -7.304 638 2HG GLU 81 1HG GLU 81 17.006 3.571 -6.487 639 H ALA 82 H ALA 82 15.330 5.441 -5.957 640 HA ALA 82 HA ALA 82 13.100 6.941 -5.908 641 1HB ALA 82 1HB ALA 82 15.407 6.899 -7.777 642 2HB ALA 82 2HB ALA 82 14.908 8.132 -6.621 643 3HB ALA 82 3HB ALA 82 14.046 7.955 -8.149 644 H LEU 83 H LEU 83 11.103 6.469 -6.473 645 HA LEU 83 HA LEU 83 10.619 5.281 -9.127 646 1HB LEU 83 2HB LEU 83 9.628 4.551 -6.474 647 2HB LEU 83 1HB LEU 83 8.345 4.770 -7.648 648 HG LEU 83 HG LEU 83 10.369 3.188 -8.873 649 1HD1 LEU 83 1HD1 LEU 83 10.158 1.202 -7.306 650 2HD1 LEU 83 2HD1 LEU 83 9.650 2.358 -6.075 651 3HD1 LEU 83 3HD1 LEU 83 11.249 2.492 -6.806 652 1HD2 LEU 83 1HD2 LEU 83 8.296 2.769 -9.688 653 2HD2 LEU 83 2HD2 LEU 83 7.515 2.981 -8.121 654 3HD2 LEU 83 3HD2 LEU 83 8.361 1.477 -8.487 655 H LYS 84 H LYS 84 9.004 6.190 -10.388 656 HA LYS 84 HA LYS 84 8.245 8.889 -9.650 657 1HB LYS 84 2HB LYS 84 7.461 9.101 -11.943 658 2HB LYS 84 1HB LYS 84 9.083 8.426 -11.912 659 1HG LYS 84 2HG LYS 84 7.748 6.146 -11.976 660 2HG LYS 84 1HG LYS 84 6.518 7.173 -12.716 661 1HD LYS 84 2HD LYS 84 9.377 6.915 -13.651 662 2HD LYS 84 1HD LYS 84 7.984 6.123 -14.391 663 1HE LYS 84 2HE LYS 84 8.054 7.947 -15.732 664 2HE LYS 84 1HE LYS 84 7.102 8.644 -14.422 665 1HZ LYS 84 1HZ LYS 84 9.994 8.829 -14.162 666 2HZ LYS 84 2HZ LYS 84 8.797 9.957 -13.766 667 3HZ LYS 84 3HZ LYS 84 9.292 9.779 -15.374 668 H ASP 85 H ASP 85 6.771 5.758 -9.853 669 HA ASP 85 HA ASP 85 4.115 6.269 -10.234 670 1HB ASP 85 2HB ASP 85 5.392 4.347 -8.284 671 2HB ASP 85 1HB ASP 85 3.678 4.336 -8.692 672 H LEU 86 H LEU 86 5.963 6.771 -7.265 673 HA LEU 86 HA LEU 86 3.584 8.017 -6.059 674 1HB LEU 86 2HB LEU 86 5.182 6.027 -5.046 675 2HB LEU 86 1HB LEU 86 5.852 7.458 -4.290 676 HG LEU 86 HG LEU 86 4.093 6.253 -2.957 677 1HD1 LEU 86 1HD1 LEU 86 2.731 8.657 -2.922 678 2HD1 LEU 86 2HD1 LEU 86 4.334 9.086 -3.520 679 3HD1 LEU 86 3HD1 LEU 86 4.163 8.248 -1.978 680 1HD2 LEU 86 1HD2 LEU 86 2.007 5.934 -3.707 681 2HD2 LEU 86 2HD2 LEU 86 2.700 6.209 -5.305 682 3HD2 LEU 86 3HD2 LEU 86 1.923 7.536 -4.442 683 H GLU 87 H GLU 87 6.909 8.503 -6.974 684 HA GLU 87 HA GLU 87 6.707 11.296 -6.055 685 1HB GLU 87 2HB GLU 87 9.003 9.374 -5.930 686 2HB GLU 87 1HB GLU 87 9.318 11.098 -6.065 687 1HG GLU 87 2HG GLU 87 7.755 11.336 -4.044 688 2HG GLU 87 1HG GLU 87 7.993 9.602 -3.840 Start of MODEL 9 1 1H MET 1 1HT MET 1 19.734 5.230 5.089 2 2H MET 1 2HT MET 1 18.336 4.961 4.177 3 3H MET 1 3HT MET 1 18.221 5.643 5.720 4 HA MET 1 HA MET 1 19.964 7.251 4.280 5 1HB MET 1 2HB MET 1 18.897 6.120 2.306 6 2HB MET 1 1HB MET 1 17.355 6.790 2.823 7 1HG MET 1 2HG MET 1 18.141 8.220 1.142 8 2HG MET 1 1HG MET 1 18.436 9.066 2.661 9 1HE MET 1 1HE MET 1 20.760 8.434 -0.737 10 2HE MET 1 2HE MET 1 19.481 7.315 -0.264 11 3HE MET 1 3HE MET 1 21.173 6.857 -0.064 12 H GLY 2 H GLY 2 16.517 6.800 5.058 13 1HA GLY 2 2HA GLY 2 15.702 8.050 7.026 14 2HA GLY 2 1HA GLY 2 16.611 9.423 6.418 15 H GLN 3 H GLN 3 14.988 7.505 4.075 16 HA GLN 3 HA GLN 3 12.663 9.288 4.079 17 1HB GLN 3 2HB GLN 3 14.655 8.945 1.873 18 2HB GLN 3 1HB GLN 3 12.969 9.249 1.476 19 1HG GLN 3 2HG GLN 3 13.147 11.409 1.959 20 2HG GLN 3 1HG GLN 3 13.946 11.079 3.495 21 1HE2 GLN 3 1HE2 GLN 3 14.328 12.065 0.251 22 2HE2 GLN 3 2HE2 GLN 3 16.041 12.285 0.275 23 H VAL 4 H VAL 4 10.788 8.380 3.305 24 HA VAL 4 HA VAL 4 10.928 5.680 2.183 25 HB VAL 4 HB VAL 4 9.251 4.797 3.682 26 1HG1 VAL 4 1HG1 VAL 4 10.796 4.224 5.171 27 2HG1 VAL 4 2HG1 VAL 4 10.893 5.866 5.808 28 3HG1 VAL 4 3HG1 VAL 4 11.857 5.407 4.404 29 1HG2 VAL 4 1HG2 VAL 4 8.670 6.228 5.741 30 2HG2 VAL 4 2HG2 VAL 4 7.843 6.565 4.221 31 3HG2 VAL 4 3HG2 VAL 4 9.174 7.596 4.748 32 H VAL 5 H VAL 5 9.218 5.113 0.871 33 HA VAL 5 HA VAL 5 7.487 7.330 0.047 34 HB VAL 5 HB VAL 5 6.945 5.785 -1.896 35 1HG1 VAL 5 1HG1 VAL 5 9.165 6.193 -3.012 36 2HG1 VAL 5 2HG1 VAL 5 9.747 6.794 -1.460 37 3HG1 VAL 5 3HG1 VAL 5 8.412 7.608 -2.277 38 1HG2 VAL 5 1HG2 VAL 5 9.396 4.279 -1.000 39 2HG2 VAL 5 2HG2 VAL 5 8.318 3.901 -2.344 40 3HG2 VAL 5 3HG2 VAL 5 7.753 3.721 -0.685 41 H GLN 6 H GLN 6 5.461 7.349 0.780 42 HA GLN 6 HA GLN 6 4.418 4.886 1.937 43 1HB GLN 6 2HB GLN 6 3.704 7.779 2.313 44 2HB GLN 6 1HB GLN 6 2.673 6.483 2.907 45 1HG GLN 6 2HG GLN 6 4.013 6.034 4.621 46 2HG GLN 6 1HG GLN 6 5.477 6.191 3.652 47 1HE2 GLN 6 1HE2 GLN 6 5.980 8.509 3.016 48 2HE2 GLN 6 2HE2 GLN 6 5.809 9.698 4.259 49 H PHE 7 H PHE 7 2.509 3.978 1.421 50 HA PHE 7 HA PHE 7 1.318 4.847 -1.107 51 1HB PHE 7 2HB PHE 7 2.015 2.604 -1.316 52 2HB PHE 7 1HB PHE 7 1.475 2.191 0.307 53 HD1 PHE 7 1HD PHE 7 0.258 3.096 -3.076 54 HD2 PHE 7 2HD PHE 7 -0.638 1.287 0.668 55 HE1 PHE 7 1HE PHE 7 -1.870 2.269 -3.989 56 HE2 PHE 7 2HE PHE 7 -2.764 0.455 -0.236 57 HZ PHE 7 HZ PHE 7 -3.387 0.944 -2.569 58 H LYS 8 H LYS 8 -0.845 5.238 -1.286 59 HA LYS 8 HA LYS 8 -2.430 5.211 1.196 60 1HB LYS 8 2HB LYS 8 -3.460 7.305 0.548 61 2HB LYS 8 1HB LYS 8 -1.714 7.509 0.582 62 1HG LYS 8 2HG LYS 8 -2.650 6.708 -2.035 63 2HG LYS 8 1HG LYS 8 -3.417 8.198 -1.480 64 1HD LYS 8 2HD LYS 8 -0.441 7.732 -1.409 65 2HD LYS 8 1HD LYS 8 -1.273 8.503 -2.761 66 1HE LYS 8 2HE LYS 8 -2.144 9.749 -0.364 67 2HE LYS 8 1HE LYS 8 -0.383 9.664 -0.324 68 1HZ LYS 8 1HZ LYS 8 -1.542 11.660 -1.454 69 2HZ LYS 8 2HZ LYS 8 -1.741 10.603 -2.758 70 3HZ LYS 8 3HZ LYS 8 -0.189 10.964 -2.193 71 H LEU 9 H LEU 9 -4.582 4.632 1.007 72 HA LEU 9 HA LEU 9 -5.365 2.772 -0.843 73 1HB LEU 9 2HB LEU 9 -6.509 3.313 1.289 74 2HB LEU 9 1HB LEU 9 -7.164 4.758 0.553 75 HG LEU 9 HG LEU 9 -8.804 2.924 0.698 76 1HD1 LEU 9 1HD1 LEU 9 -8.499 4.676 -1.289 77 2HD1 LEU 9 2HD1 LEU 9 -9.814 3.502 -1.230 78 3HD1 LEU 9 3HD1 LEU 9 -8.382 3.175 -2.208 79 1HD2 LEU 9 1HD2 LEU 9 -8.310 0.844 0.185 80 2HD2 LEU 9 2HD2 LEU 9 -6.673 1.348 -0.249 81 3HD2 LEU 9 3HD2 LEU 9 -7.941 1.316 -1.476 82 H SER 10 H SER 10 -5.490 2.924 -2.983 83 HA SER 10 HA SER 10 -6.360 5.470 -4.171 84 1HB SER 10 2HB SER 10 -4.993 5.063 -6.003 85 2HB SER 10 1HB SER 10 -4.049 4.350 -4.696 86 HG SER 10 HG SER 10 -5.006 2.318 -5.281 87 H ASP 11 H ASP 11 -7.322 5.068 -6.464 88 HA ASP 11 HA ASP 11 -8.870 4.091 -7.850 89 1HB ASP 11 2HB ASP 11 -8.080 1.861 -6.697 90 2HB ASP 11 1HB ASP 11 -9.621 1.993 -5.853 91 H ILE 12 H ILE 12 -9.375 5.042 -4.612 92 HA ILE 12 HA ILE 12 -12.250 5.388 -5.095 93 HB ILE 12 HB ILE 12 -10.692 5.245 -2.510 94 1HG1 ILE 12 2HG1 ILE 12 -12.396 3.383 -2.116 95 2HG1 ILE 12 1HG1 ILE 12 -12.782 3.520 -3.828 96 1HG2 ILE 12 1HG2 ILE 12 -12.956 5.459 -1.416 97 2HG2 ILE 12 2HG2 ILE 12 -13.557 6.036 -2.970 98 3HG2 ILE 12 3HG2 ILE 12 -12.303 6.939 -2.121 99 1HD1 ILE 12 1HD1 ILE 12 -10.826 1.937 -2.696 100 2HD1 ILE 12 2HD1 ILE 12 -9.934 3.291 -3.385 101 3HD1 ILE 12 3HD1 ILE 12 -11.003 2.328 -4.405 102 H GLY 13 H GLY 13 -13.222 7.378 -4.337 103 1HA GLY 13 2HA GLY 13 -11.358 9.659 -4.542 104 2HA GLY 13 1HA GLY 13 -13.004 9.679 -5.159 105 H GLU 14 H GLU 14 -11.541 11.362 -3.135 106 HA GLU 14 HA GLU 14 -12.484 10.851 -0.554 107 1HB GLU 14 2HB GLU 14 -11.382 13.176 -1.999 108 2HB GLU 14 1HB GLU 14 -12.363 13.564 -0.593 109 1HG GLU 14 2HG GLU 14 -10.606 11.461 0.126 110 2HG GLU 14 1HG GLU 14 -9.665 12.705 -0.696 111 H GLY 15 H GLY 15 -14.670 10.124 -0.856 112 1HA GLY 15 2HA GLY 15 -16.659 11.753 -0.075 113 2HA GLY 15 1HA GLY 15 -16.632 12.036 -1.808 114 H ILE 16 H ILE 16 -15.802 9.174 -2.254 115 HA ILE 16 HA ILE 16 -18.513 8.084 -2.114 116 HB ILE 16 HB ILE 16 -17.912 6.570 -3.853 117 1HG1 ILE 16 2HG1 ILE 16 -15.071 7.572 -3.831 118 2HG1 ILE 16 1HG1 ILE 16 -15.549 6.168 -2.885 119 1HG2 ILE 16 1HG2 ILE 16 -16.471 8.633 -5.174 120 2HG2 ILE 16 2HG2 ILE 16 -17.672 9.369 -4.111 121 3HG2 ILE 16 3HG2 ILE 16 -18.173 8.194 -5.327 122 1HD1 ILE 16 1HD1 ILE 16 -14.814 5.166 -4.788 123 2HD1 ILE 16 2HD1 ILE 16 -15.345 6.490 -5.826 124 3HD1 ILE 16 3HD1 ILE 16 -16.525 5.354 -5.170 125 H ARG 17 H ARG 17 -17.903 5.370 -2.381 126 HA ARG 17 HA ARG 17 -17.530 4.642 0.337 127 1HB ARG 17 2HB ARG 17 -18.829 3.504 -1.726 128 2HB ARG 17 1HB ARG 17 -17.350 2.555 -1.754 129 1HG ARG 17 2HG ARG 17 -18.075 1.318 -0.072 130 2HG ARG 17 1HG ARG 17 -18.260 2.752 0.940 131 1HD ARG 17 2HD ARG 17 -20.471 2.595 0.807 132 2HD ARG 17 1HD ARG 17 -20.396 2.668 -0.952 133 HE ARG 17 HE ARG 17 -20.667 0.389 -1.035 134 1HH1 ARG 17 1HH1 ARG 17 -19.958 1.362 2.233 135 2HH1 ARG 17 2HH1 ARG 17 -20.322 -0.189 2.912 136 1HH2 ARG 17 1HH2 ARG 17 -21.152 -1.655 -0.154 137 2HH2 ARG 17 2HH2 ARG 17 -21.003 -1.907 1.553 138 H GLU 18 H GLU 18 -15.930 3.276 1.224 139 HA GLU 18 HA GLU 18 -13.297 3.637 -0.011 140 1HB GLU 18 2HB GLU 18 -14.208 3.107 2.805 141 2HB GLU 18 1HB GLU 18 -12.538 2.860 2.324 142 1HG GLU 18 2HG GLU 18 -12.207 4.993 2.825 143 2HG GLU 18 1HG GLU 18 -13.102 5.372 1.356 144 H VAL 19 H VAL 19 -11.712 1.726 0.607 145 HA VAL 19 HA VAL 19 -13.133 -0.825 0.187 146 HB VAL 19 HB VAL 19 -12.212 0.083 -1.967 147 1HG1 VAL 19 1HG1 VAL 19 -9.891 0.136 -2.388 148 2HG1 VAL 19 2HG1 VAL 19 -9.517 -0.662 -0.861 149 3HG1 VAL 19 3HG1 VAL 19 -10.121 0.995 -0.865 150 1HG2 VAL 19 1HG2 VAL 19 -11.721 -2.020 -2.763 151 2HG2 VAL 19 2HG2 VAL 19 -12.552 -2.409 -1.257 152 3HG2 VAL 19 3HG2 VAL 19 -10.790 -2.464 -1.333 153 H THR 20 H THR 20 -12.104 -2.705 0.897 154 HA THR 20 HA THR 20 -10.061 -2.244 2.947 155 HB THR 20 HB THR 20 -12.376 -4.048 2.748 156 HG1 THR 20 1HG THR 20 -12.267 -3.787 4.997 157 1HG2 THR 20 1HG2 THR 20 -9.923 -5.146 4.113 158 2HG2 THR 20 2HG2 THR 20 -10.515 -5.720 2.552 159 3HG2 THR 20 3HG2 THR 20 -11.517 -5.889 3.992 160 H VAL 21 H VAL 21 -8.490 -4.007 3.278 161 HA VAL 21 HA VAL 21 -7.176 -4.570 0.767 162 HB VAL 21 HB VAL 21 -6.355 -5.456 3.535 163 1HG1 VAL 21 1HG1 VAL 21 -4.924 -6.660 2.278 164 2HG1 VAL 21 2HG1 VAL 21 -4.073 -5.122 2.134 165 3HG1 VAL 21 3HG1 VAL 21 -5.163 -5.650 0.852 166 1HG2 VAL 21 1HG2 VAL 21 -4.729 -3.348 2.772 167 2HG2 VAL 21 2HG2 VAL 21 -6.020 -3.295 3.972 168 3HG2 VAL 21 3HG2 VAL 21 -6.348 -2.832 2.302 169 H LYS 22 H LYS 22 -7.011 -6.503 -0.258 170 HA LYS 22 HA LYS 22 -8.639 -8.694 0.818 171 1HB LYS 22 2HB LYS 22 -9.023 -7.618 -1.515 172 2HB LYS 22 1HB LYS 22 -7.625 -8.565 -2.004 173 1HG LYS 22 2HG LYS 22 -9.109 -10.160 -2.470 174 2HG LYS 22 1HG LYS 22 -9.146 -10.434 -0.727 175 1HD LYS 22 2HD LYS 22 -11.032 -8.860 -0.543 176 2HD LYS 22 1HD LYS 22 -11.009 -8.650 -2.295 177 1HE LYS 22 2HE LYS 22 -11.927 -10.692 -2.690 178 2HE LYS 22 1HE LYS 22 -11.173 -11.424 -1.274 179 1HZ LYS 22 1HZ LYS 22 -13.211 -11.305 -0.407 180 2HZ LYS 22 2HZ LYS 22 -13.753 -10.172 -1.539 181 3HZ LYS 22 3HZ LYS 22 -12.890 -9.659 -0.178 182 H GLU 23 H GLU 23 -5.421 -7.876 -0.290 183 HA GLU 23 HA GLU 23 -4.490 -10.463 0.723 184 1HB GLU 23 2HB GLU 23 -3.279 -9.343 -1.781 185 2HB GLU 23 1HB GLU 23 -3.220 -10.988 -1.160 186 1HG GLU 23 2HG GLU 23 -5.828 -10.847 -1.559 187 2HG GLU 23 1HG GLU 23 -5.334 -9.622 -2.726 188 H TRP 24 H TRP 24 -2.908 -10.226 2.128 189 HA TRP 24 HA TRP 24 -1.213 -7.818 1.978 190 1HB TRP 24 2HB TRP 24 -2.675 -9.044 4.240 191 2HB TRP 24 1HB TRP 24 -1.028 -8.535 4.596 192 HD1 TRP 24 HD TRP 24 -4.461 -7.231 4.478 193 HE1 TRP 24 1HE TRP 24 -4.470 -4.663 4.615 194 HE3 TRP 24 3HE TRP 24 0.499 -6.351 3.601 195 HZ2 TRP 24 2HZ TRP 24 -2.623 -2.543 4.379 196 HZ3 TRP 24 3HZ TRP 24 1.295 -4.024 3.572 197 HH2 TRP 24 HH TRP 24 -0.235 -2.160 3.952 198 H TYR 25 H TYR 25 0.823 -8.318 1.453 199 HA TYR 25 HA TYR 25 1.888 -10.909 2.377 200 1HB TYR 25 2HB TYR 25 1.859 -9.690 -0.306 201 2HB TYR 25 1HB TYR 25 3.399 -10.393 0.177 202 HD1 TYR 25 1HD TYR 25 3.584 -12.797 0.616 203 HD2 TYR 25 2HD TYR 25 -0.068 -11.076 -0.722 204 HE1 TYR 25 1HE TYR 25 2.750 -15.036 0.035 205 HE2 TYR 25 2HE TYR 25 -0.915 -13.310 -1.306 206 HH TYR 25 HH TYR 25 0.225 -15.604 -1.939 207 H VAL 26 H VAL 26 2.116 -8.386 3.751 208 HA VAL 26 HA VAL 26 4.978 -8.367 4.078 209 HB VAL 26 HB VAL 26 5.370 -6.034 3.673 210 1HG1 VAL 26 1HG1 VAL 26 5.070 -5.916 1.287 211 2HG1 VAL 26 2HG1 VAL 26 3.822 -7.156 1.348 212 3HG1 VAL 26 3HG1 VAL 26 5.491 -7.564 1.750 213 1HG2 VAL 26 1HG2 VAL 26 3.755 -4.508 3.801 214 2HG2 VAL 26 2HG2 VAL 26 2.564 -5.794 3.995 215 3HG2 VAL 26 3HG2 VAL 26 2.966 -5.201 2.384 216 H LYS 27 H LYS 27 5.659 -7.205 5.990 217 HA LYS 27 HA LYS 27 3.471 -6.494 7.818 218 1HB LYS 27 2HB LYS 27 5.073 -8.823 7.993 219 2HB LYS 27 1HB LYS 27 5.583 -7.749 9.289 220 1HG LYS 27 2HG LYS 27 3.915 -8.987 10.287 221 2HG LYS 27 1HG LYS 27 3.053 -7.534 9.781 222 1HD LYS 27 2HD LYS 27 2.180 -8.662 7.844 223 2HD LYS 27 1HD LYS 27 3.165 -10.087 8.180 224 1HE LYS 27 2HE LYS 27 1.854 -9.913 10.504 225 2HE LYS 27 1HE LYS 27 0.656 -9.162 9.451 226 1HZ LYS 27 1HZ LYS 27 1.706 -11.525 8.277 227 2HZ LYS 27 2HZ LYS 27 0.101 -11.133 8.638 228 3HZ LYS 27 3HZ LYS 27 1.079 -11.855 9.814 229 H GLU 28 H GLU 28 4.345 -5.454 9.843 230 HA GLU 28 HA GLU 28 5.794 -3.144 9.160 231 1HB GLU 28 2HB GLU 28 5.678 -4.078 12.002 232 2HB GLU 28 1HB GLU 28 5.497 -2.454 11.356 233 1HG GLU 28 2HG GLU 28 3.304 -3.326 10.343 234 2HG GLU 28 1HG GLU 28 3.489 -4.667 11.472 235 H GLY 29 H GLY 29 7.922 -2.626 9.252 236 1HA GLY 29 2HA GLY 29 10.188 -2.848 9.657 237 2HA GLY 29 1HA GLY 29 9.810 -4.128 10.800 238 H ASP 30 H ASP 30 8.308 -4.864 7.929 239 HA ASP 30 HA ASP 30 10.391 -6.803 7.284 240 1HB ASP 30 2HB ASP 30 7.634 -7.010 7.483 241 2HB ASP 30 1HB ASP 30 7.921 -6.993 5.746 242 H THR 31 H THR 31 11.019 -7.209 5.098 243 HA THR 31 HA THR 31 11.040 -4.757 3.495 244 HB THR 31 HB THR 31 12.741 -7.204 3.030 245 HG1 THR 31 1HG THR 31 13.055 -6.251 5.164 246 1HG2 THR 31 1HG2 THR 31 12.435 -5.439 1.230 247 2HG2 THR 31 2HG2 THR 31 14.098 -5.777 1.713 248 3HG2 THR 31 3HG2 THR 31 13.282 -4.331 2.309 249 H VAL 32 H VAL 32 10.585 -4.770 1.299 250 HA VAL 32 HA VAL 32 8.830 -6.943 0.419 251 HB VAL 32 HB VAL 32 8.555 -4.835 -1.402 252 1HG1 VAL 32 1HG1 VAL 32 6.534 -4.816 0.653 253 2HG1 VAL 32 2HG1 VAL 32 6.972 -6.459 0.188 254 3HG1 VAL 32 3HG1 VAL 32 6.422 -5.312 -1.035 255 1HG2 VAL 32 1HG2 VAL 32 7.863 -2.948 0.087 256 2HG2 VAL 32 2HG2 VAL 32 9.602 -3.227 0.014 257 3HG2 VAL 32 3HG2 VAL 32 8.679 -3.774 1.413 258 H SER 33 H SER 33 8.836 -7.398 -1.936 259 HA SER 33 HA SER 33 11.419 -6.920 -3.231 260 1HB SER 33 2HB SER 33 10.940 -9.296 -1.958 261 2HB SER 33 1HB SER 33 10.397 -9.657 -3.597 262 HG SER 33 HG SER 33 12.813 -9.779 -2.822 263 H GLN 34 H GLN 34 11.377 -7.604 -5.555 264 HA GLN 34 HA GLN 34 9.313 -6.364 -6.930 265 1HB GLN 34 2HB GLN 34 11.389 -8.367 -7.774 266 2HB GLN 34 1HB GLN 34 10.208 -7.745 -8.919 267 1HG GLN 34 2HG GLN 34 11.046 -5.424 -7.994 268 2HG GLN 34 1HG GLN 34 12.481 -6.370 -7.598 269 1HE2 GLN 34 1HE2 GLN 34 12.834 -8.037 -9.596 270 2HE2 GLN 34 2HE2 GLN 34 13.023 -7.214 -11.104 271 H PHE 35 H PHE 35 9.517 -9.586 -5.695 272 HA PHE 35 HA PHE 35 7.133 -10.391 -7.202 273 1HB PHE 35 2HB PHE 35 9.404 -11.787 -6.763 274 2HB PHE 35 1HB PHE 35 8.447 -12.326 -5.387 275 HD1 PHE 35 1HD PHE 35 6.853 -13.994 -5.644 276 HD2 PHE 35 2HD PHE 35 8.351 -11.985 -9.083 277 HE1 PHE 35 1HE PHE 35 5.672 -15.597 -7.090 278 HE2 PHE 35 2HE PHE 35 7.174 -13.585 -10.536 279 HZ PHE 35 HZ PHE 35 5.832 -15.393 -9.539 280 H ASP 36 H ASP 36 8.155 -9.376 -4.085 281 HA ASP 36 HA ASP 36 5.791 -10.489 -2.782 282 1HB ASP 36 2HB ASP 36 8.404 -9.984 -1.914 283 2HB ASP 36 1HB ASP 36 7.411 -8.780 -1.098 284 H SER 37 H SER 37 4.040 -9.306 -3.374 285 HA SER 37 HA SER 37 4.069 -6.475 -3.684 286 1HB SER 37 2HB SER 37 1.462 -6.925 -3.458 287 2HB SER 37 1HB SER 37 2.347 -7.405 -4.906 288 HG SER 37 HG SER 37 1.088 -8.946 -3.050 289 H ILE 38 H ILE 38 2.786 -4.956 -2.376 290 HA ILE 38 HA ILE 38 3.232 -5.475 0.454 291 HB ILE 38 HB ILE 38 2.272 -2.921 -0.834 292 1HG1 ILE 38 2HG1 ILE 38 5.029 -3.993 -0.268 293 2HG1 ILE 38 1HG1 ILE 38 4.405 -3.333 -1.772 294 1HG2 ILE 38 1HG2 ILE 38 3.728 -3.001 1.750 295 2HG2 ILE 38 2HG2 ILE 38 2.051 -3.547 1.745 296 3HG2 ILE 38 3HG2 ILE 38 2.449 -1.916 1.203 297 1HD1 ILE 38 1HD1 ILE 38 5.877 -2.029 0.249 298 2HD1 ILE 38 2HD1 ILE 38 4.264 -1.312 0.221 299 3HD1 ILE 38 3HD1 ILE 38 5.234 -1.357 -1.250 300 H CYS 39 H CYS 39 0.555 -3.756 -1.157 301 HA CYS 39 HA CYS 39 -1.322 -5.445 0.341 302 1HB CYS 39 2HB CYS 39 -2.697 -3.240 0.579 303 2HB CYS 39 1HB CYS 39 -1.385 -3.572 1.704 304 HG CYS 39 HG CYS 39 0.278 -1.676 0.912 305 H GLU 40 H GLU 40 -3.286 -5.837 -0.641 306 HA GLU 40 HA GLU 40 -3.709 -4.668 -3.304 307 1HB GLU 40 2HB GLU 40 -4.240 -7.577 -2.733 308 2HB GLU 40 1HB GLU 40 -4.166 -6.767 -4.293 309 1HG GLU 40 2HG GLU 40 -1.754 -6.422 -3.977 310 2HG GLU 40 1HG GLU 40 -1.847 -7.292 -2.447 311 H VAL 41 H VAL 41 -5.697 -3.852 -3.517 312 HA VAL 41 HA VAL 41 -7.796 -4.844 -1.698 313 HB VAL 41 HB VAL 41 -8.830 -2.648 -1.763 314 1HG1 VAL 41 1HG1 VAL 41 -5.981 -2.878 -0.922 315 2HG1 VAL 41 2HG1 VAL 41 -7.438 -2.725 0.059 316 3HG1 VAL 41 3HG1 VAL 41 -6.796 -1.319 -0.791 317 1HG2 VAL 41 1HG2 VAL 41 -6.473 -1.725 -3.399 318 2HG2 VAL 41 2HG2 VAL 41 -7.867 -0.769 -2.894 319 3HG2 VAL 41 3HG2 VAL 41 -8.070 -2.073 -4.064 320 H GLN 42 H GLN 42 -9.917 -5.020 -2.499 321 HA GLN 42 HA GLN 42 -10.197 -4.846 -5.420 322 1HB GLN 42 2HB GLN 42 -11.053 -7.182 -3.701 323 2HB GLN 42 1HB GLN 42 -11.436 -6.991 -5.407 324 1HG GLN 42 2HG GLN 42 -9.061 -7.061 -5.954 325 2HG GLN 42 1HG GLN 42 -8.670 -7.239 -4.245 326 1HE2 GLN 42 1HE2 GLN 42 -8.017 -9.017 -6.411 327 2HE2 GLN 42 2HE2 GLN 42 -8.750 -10.539 -6.050 328 H SER 43 H SER 43 -12.052 -3.970 -6.107 329 HA SER 43 HA SER 43 -14.191 -3.557 -4.124 330 1HB SER 43 2HB SER 43 -12.969 -1.462 -4.672 331 2HB SER 43 1HB SER 43 -13.415 -1.674 -6.365 332 HG SER 43 HG SER 43 -15.305 -1.518 -4.259 333 H ASP 44 H ASP 44 -16.349 -3.462 -4.944 334 HA ASP 44 HA ASP 44 -17.068 -5.493 -6.657 335 1HB ASP 44 2HB ASP 44 -18.402 -3.429 -5.222 336 2HB ASP 44 1HB ASP 44 -19.052 -3.449 -6.858 337 H LYS 45 H LYS 45 -15.974 -2.316 -7.451 338 HA LYS 45 HA LYS 45 -16.970 -2.465 -10.174 339 1HB LYS 45 2HB LYS 45 -15.318 -0.319 -10.241 340 2HB LYS 45 1HB LYS 45 -17.006 -0.247 -9.766 341 1HG LYS 45 2HG LYS 45 -16.384 -0.341 -7.428 342 2HG LYS 45 1HG LYS 45 -14.685 -0.512 -7.865 343 1HD LYS 45 2HD LYS 45 -16.180 1.821 -8.942 344 2HD LYS 45 1HD LYS 45 -15.729 1.836 -7.236 345 1HE LYS 45 2HE LYS 45 -13.417 1.616 -7.764 346 2HE LYS 45 1HE LYS 45 -13.774 1.287 -9.459 347 1HZ LYS 45 1HZ LYS 45 -14.078 3.853 -8.008 348 2HZ LYS 45 2HZ LYS 45 -14.750 3.581 -9.536 349 3HZ LYS 45 3HZ LYS 45 -13.073 3.520 -9.328 350 H ALA 46 H ALA 46 -13.690 -1.709 -8.988 351 HA ALA 46 HA ALA 46 -12.648 -3.587 -11.001 352 1HB ALA 46 1HB ALA 46 -11.333 -2.037 -11.939 353 2HB ALA 46 2HB ALA 46 -10.888 -1.337 -10.382 354 3HB ALA 46 3HB ALA 46 -12.399 -0.867 -11.161 355 H SER 47 H SER 47 -10.470 -4.388 -10.545 356 HA SER 47 HA SER 47 -10.104 -4.797 -7.665 357 1HB SER 47 2HB SER 47 -8.420 -6.368 -9.489 358 2HB SER 47 1HB SER 47 -9.434 -6.903 -8.149 359 HG SER 47 HG SER 47 -9.956 -7.342 -10.585 360 H VAL 48 H VAL 48 -8.149 -4.375 -6.641 361 HA VAL 48 HA VAL 48 -6.138 -2.957 -8.262 362 HB VAL 48 HB VAL 48 -6.679 -2.204 -5.410 363 1HG1 VAL 48 1HG1 VAL 48 -5.404 -0.334 -5.835 364 2HG1 VAL 48 2HG1 VAL 48 -5.720 -0.382 -7.569 365 3HG1 VAL 48 3HG1 VAL 48 -4.606 -1.541 -6.843 366 1HG2 VAL 48 1HG2 VAL 48 -8.397 -1.709 -7.699 367 2HG2 VAL 48 2HG2 VAL 48 -7.846 -0.219 -6.934 368 3HG2 VAL 48 3HG2 VAL 48 -8.696 -1.437 -5.982 369 H THR 49 H THR 49 -4.068 -3.473 -7.949 370 HA THR 49 HA THR 49 -3.308 -5.071 -5.610 371 HB THR 49 HB THR 49 -1.947 -6.569 -7.021 372 HG1 THR 49 1HG THR 49 -3.182 -5.110 -9.130 373 1HG2 THR 49 1HG2 THR 49 -4.644 -6.807 -8.238 374 2HG2 THR 49 2HG2 THR 49 -4.547 -6.836 -6.478 375 3HG2 THR 49 3HG2 THR 49 -3.655 -8.024 -7.429 376 H ILE 50 H ILE 50 -1.593 -4.166 -4.651 377 HA ILE 50 HA ILE 50 -0.014 -2.230 -6.175 378 HB ILE 50 HB ILE 50 -0.040 -2.676 -3.195 379 1HG1 ILE 50 2HG1 ILE 50 -2.242 -1.952 -4.064 380 2HG1 ILE 50 1HG1 ILE 50 -1.479 -0.718 -3.067 381 1HG2 ILE 50 1HG2 ILE 50 1.564 -1.143 -3.036 382 2HG2 ILE 50 2HG2 ILE 50 0.737 -0.058 -4.155 383 3HG2 ILE 50 3HG2 ILE 50 1.789 -1.331 -4.775 384 1HD1 ILE 50 1HD1 ILE 50 -0.803 0.496 -5.050 385 2HD1 ILE 50 2HD1 ILE 50 -2.545 0.219 -5.055 386 3HD1 ILE 50 3HD1 ILE 50 -1.493 -0.762 -6.074 387 H THR 51 H THR 51 1.719 -3.034 -7.119 388 HA THR 51 HA THR 51 3.231 -5.202 -5.907 389 HB THR 51 HB THR 51 4.212 -3.814 -8.357 390 HG1 THR 51 1HG THR 51 2.191 -3.966 -9.098 391 1HG2 THR 51 1HG2 THR 51 4.061 -6.559 -8.755 392 2HG2 THR 51 2HG2 THR 51 4.470 -6.389 -7.048 393 3HG2 THR 51 3HG2 THR 51 5.491 -5.645 -8.278 394 H SER 52 H SER 52 5.787 -4.779 -6.300 395 HA SER 52 HA SER 52 6.352 -2.218 -4.960 396 1HB SER 52 2HB SER 52 6.998 -4.914 -4.203 397 2HB SER 52 1HB SER 52 8.483 -3.998 -4.457 398 HG SER 52 HG SER 52 7.455 -2.354 -3.081 399 H ARG 53 H ARG 53 7.192 -4.349 -7.562 400 HA ARG 53 HA ARG 53 8.759 -4.296 -9.202 401 1HB ARG 53 2HB ARG 53 9.175 -1.675 -9.857 402 2HB ARG 53 1HB ARG 53 7.870 -2.680 -10.456 403 1HG ARG 53 2HG ARG 53 7.602 -0.956 -8.006 404 2HG ARG 53 1HG ARG 53 7.247 -0.390 -9.628 405 1HD ARG 53 2HD ARG 53 5.873 -2.598 -8.114 406 2HD ARG 53 1HD ARG 53 5.190 -1.075 -8.671 407 HE ARG 53 HE ARG 53 5.581 -3.473 -10.218 408 1HH1 ARG 53 1HH1 ARG 53 5.156 -0.018 -10.315 409 2HH1 ARG 53 2HH1 ARG 53 4.522 -0.010 -11.927 410 1HH2 ARG 53 1HH2 ARG 53 4.748 -3.475 -12.344 411 2HH2 ARG 53 2HH2 ARG 53 4.290 -1.976 -13.081 412 H TYR 54 H TYR 54 9.759 -3.812 -6.313 413 HA TYR 54 HA TYR 54 12.491 -3.766 -6.875 414 1HB TYR 54 2HB TYR 54 11.231 -1.151 -6.459 415 2HB TYR 54 1HB TYR 54 12.561 -1.463 -5.349 416 HD1 TYR 54 1HD TYR 54 11.809 0.051 -8.327 417 HD2 TYR 54 2HD TYR 54 14.651 -2.659 -6.688 418 HE1 TYR 54 1HE TYR 54 13.412 0.680 -10.082 419 HE2 TYR 54 2HE TYR 54 16.262 -2.037 -8.439 420 HH TYR 54 HH TYR 54 15.789 0.658 -10.500 421 H ASP 55 H ASP 55 13.753 -3.471 -4.710 422 HA ASP 55 HA ASP 55 12.169 -4.838 -2.659 423 1HB ASP 55 2HB ASP 55 15.126 -4.506 -2.400 424 2HB ASP 55 1HB ASP 55 14.097 -5.841 -1.890 425 H GLY 56 H GLY 56 11.439 -3.713 -0.973 426 1HA GLY 56 2HA GLY 56 13.021 -1.395 -0.074 427 2HA GLY 56 1HA GLY 56 11.303 -1.214 -0.378 428 H VAL 57 H VAL 57 12.369 -0.550 2.063 429 HA VAL 57 HA VAL 57 11.738 -2.806 3.831 430 HB VAL 57 HB VAL 57 13.096 -0.171 4.413 431 1HG1 VAL 57 1HG1 VAL 57 12.216 -2.374 6.252 432 2HG1 VAL 57 2HG1 VAL 57 11.989 -0.632 6.422 433 3HG1 VAL 57 3HG1 VAL 57 13.590 -1.342 6.652 434 1HG2 VAL 57 1HG2 VAL 57 14.023 -2.860 3.713 435 2HG2 VAL 57 2HG2 VAL 57 14.825 -2.152 5.116 436 3HG2 VAL 57 3HG2 VAL 57 14.838 -1.302 3.571 437 H ILE 58 H ILE 58 9.802 -2.939 4.715 438 HA ILE 58 HA ILE 58 8.135 -0.529 4.959 439 HB ILE 58 HB ILE 58 7.247 -3.384 5.399 440 1HG1 ILE 58 2HG1 ILE 58 6.913 -1.787 2.859 441 2HG1 ILE 58 1HG1 ILE 58 8.226 -2.936 3.095 442 1HG2 ILE 58 1HG2 ILE 58 5.570 -2.096 6.271 443 2HG2 ILE 58 2HG2 ILE 58 5.056 -2.160 4.584 444 3HG2 ILE 58 3HG2 ILE 58 5.903 -0.738 5.196 445 1HD1 ILE 58 1HD1 ILE 58 5.723 -3.476 2.065 446 2HD1 ILE 58 2HD1 ILE 58 5.654 -4.105 3.712 447 3HD1 ILE 58 3HD1 ILE 58 6.915 -4.657 2.608 448 H LYS 59 H LYS 59 7.988 0.407 6.889 449 HA LYS 59 HA LYS 59 9.052 -1.069 9.178 450 1HB LYS 59 2HB LYS 59 10.180 0.957 8.852 451 2HB LYS 59 1HB LYS 59 8.693 1.854 8.617 452 1HG LYS 59 2HG LYS 59 8.273 2.008 10.871 453 2HG LYS 59 1HG LYS 59 9.176 0.540 11.246 454 1HD LYS 59 2HD LYS 59 11.268 1.779 10.645 455 2HD LYS 59 1HD LYS 59 10.292 3.245 10.520 456 1HE LYS 59 2HE LYS 59 11.445 2.964 12.715 457 2HE LYS 59 1HE LYS 59 9.693 3.125 12.832 458 1HZ LYS 59 1HZ LYS 59 10.866 0.438 12.682 459 2HZ LYS 59 2HZ LYS 59 9.442 0.949 13.438 460 3HZ LYS 59 3HZ LYS 59 10.941 1.279 14.149 461 H LYS 60 H LYS 60 5.992 0.381 8.165 462 HA LYS 60 HA LYS 60 4.798 -0.859 10.503 463 1HB LYS 60 2HB LYS 60 3.908 1.027 11.517 464 2HB LYS 60 1HB LYS 60 5.524 1.546 11.066 465 1HG LYS 60 2HG LYS 60 3.029 2.141 9.489 466 2HG LYS 60 1HG LYS 60 3.788 3.244 10.637 467 1HD LYS 60 2HD LYS 60 5.001 2.162 8.096 468 2HD LYS 60 1HD LYS 60 4.463 3.816 8.391 469 1HE LYS 60 2HE LYS 60 6.733 2.382 9.758 470 2HE LYS 60 1HE LYS 60 6.867 3.695 8.590 471 1HZ LYS 60 1HZ LYS 60 6.548 3.857 11.380 472 2HZ LYS 60 2HZ LYS 60 5.206 4.576 10.642 473 3HZ LYS 60 3HZ LYS 60 6.764 5.114 10.268 474 H LEU 61 H LEU 61 2.735 -1.473 10.292 475 HA LEU 61 HA LEU 61 1.281 -0.680 7.861 476 1HB LEU 61 2HB LEU 61 1.866 -3.408 8.929 477 2HB LEU 61 1HB LEU 61 0.338 -3.134 8.113 478 HG LEU 61 HG LEU 61 3.093 -2.765 6.937 479 1HD1 LEU 61 1HD1 LEU 61 0.923 -4.655 6.074 480 2HD1 LEU 61 2HD1 LEU 61 2.170 -5.102 7.238 481 3HD1 LEU 61 3HD1 LEU 61 2.621 -4.643 5.596 482 1HD2 LEU 61 1HD2 LEU 61 1.813 -1.078 5.945 483 2HD2 LEU 61 2HD2 LEU 61 0.366 -2.083 5.895 484 3HD2 LEU 61 3HD2 LEU 61 1.715 -2.425 4.811 485 H TYR 62 H TYR 62 -0.862 -0.196 8.166 486 HA TYR 62 HA TYR 62 -1.888 -0.545 10.908 487 1HB TYR 62 2HB TYR 62 -1.394 1.822 9.882 488 2HB TYR 62 1HB TYR 62 -2.941 1.573 9.079 489 HD1 TYR 62 1HD TYR 62 -1.270 2.100 12.297 490 HD2 TYR 62 2HD TYR 62 -5.010 1.548 10.347 491 HE1 TYR 62 1HE TYR 62 -2.432 2.866 14.324 492 HE2 TYR 62 2HE TYR 62 -6.183 2.315 12.367 493 HH TYR 62 HH TYR 62 -5.887 2.637 14.661 494 H TYR 63 H TYR 63 -2.885 -0.387 7.495 495 HA TYR 63 HA TYR 63 -5.489 -1.474 8.157 496 1HB TYR 63 2HB TYR 63 -4.260 -0.761 5.488 497 2HB TYR 63 1HB TYR 63 -5.927 -1.277 5.727 498 HD1 TYR 63 1HD TYR 63 -3.500 1.349 6.766 499 HD2 TYR 63 2HD TYR 63 -7.582 0.306 6.180 500 HE1 TYR 63 1HE TYR 63 -4.151 3.679 7.201 501 HE2 TYR 63 2HE TYR 63 -8.243 2.636 6.613 502 HH TYR 63 HH TYR 63 -6.077 4.956 7.894 503 H ASN 64 H ASN 64 -6.254 -3.479 7.631 504 HA ASN 64 HA ASN 64 -4.283 -5.418 6.626 505 1HB ASN 64 2HB ASN 64 -6.367 -5.933 8.753 506 2HB ASN 64 1HB ASN 64 -5.183 -7.093 8.146 507 1HD2 ASN 64 1HD2 ASN 64 -3.467 -7.346 9.368 508 2HD2 ASN 64 2HD2 ASN 64 -2.808 -6.185 10.464 509 H LEU 65 H LEU 65 -5.658 -7.606 6.386 510 HA LEU 65 HA LEU 65 -7.048 -7.430 4.016 511 1HB LEU 65 2HB LEU 65 -6.862 -9.484 6.183 512 2HB LEU 65 1HB LEU 65 -7.886 -9.754 4.795 513 HG LEU 65 HG LEU 65 -5.283 -8.934 3.912 514 1HD1 LEU 65 1HD1 LEU 65 -4.050 -10.945 4.701 515 2HD1 LEU 65 2HD1 LEU 65 -5.364 -11.250 5.837 516 3HD1 LEU 65 3HD1 LEU 65 -4.403 -9.777 5.974 517 1HD2 LEU 65 1HD2 LEU 65 -7.254 -10.414 2.922 518 2HD2 LEU 65 2HD2 LEU 65 -6.268 -11.713 3.594 519 3HD2 LEU 65 3HD2 LEU 65 -5.580 -10.610 2.403 520 H ASP 66 H ASP 66 -8.212 -6.876 7.232 521 HA ASP 66 HA ASP 66 -10.990 -7.121 6.307 522 1HB ASP 66 2HB ASP 66 -9.848 -8.153 8.547 523 2HB ASP 66 1HB ASP 66 -10.514 -6.649 9.174 524 H ASP 67 H ASP 67 -8.670 -4.794 7.474 525 HA ASP 67 HA ASP 67 -10.655 -2.821 8.114 526 1HB ASP 67 2HB ASP 67 -7.875 -3.115 8.560 527 2HB ASP 67 1HB ASP 67 -8.110 -1.606 7.680 528 H ILE 68 H ILE 68 -11.144 -0.952 7.057 529 HA ILE 68 HA ILE 68 -10.744 -1.002 4.150 530 HB ILE 68 HB ILE 68 -12.715 0.626 5.751 531 1HG1 ILE 68 2HG1 ILE 68 -12.954 -1.996 5.615 532 2HG1 ILE 68 1HG1 ILE 68 -14.355 -0.958 5.426 533 1HG2 ILE 68 1HG2 ILE 68 -12.859 1.835 3.905 534 2HG2 ILE 68 2HG2 ILE 68 -13.614 0.442 3.135 535 3HG2 ILE 68 3HG2 ILE 68 -11.872 0.699 2.983 536 1HD1 ILE 68 1HD1 ILE 68 -13.013 -1.568 2.904 537 2HD1 ILE 68 2HD1 ILE 68 -14.723 -1.647 3.334 538 3HD1 ILE 68 3HD1 ILE 68 -13.647 -2.986 3.741 539 H ALA 69 H ALA 69 -9.820 0.657 3.070 540 HA ALA 69 HA ALA 69 -8.664 2.795 4.725 541 1HB ALA 69 1HB ALA 69 -6.842 2.921 3.195 542 2HB ALA 69 2HB ALA 69 -7.648 1.845 2.054 543 3HB ALA 69 3HB ALA 69 -7.075 1.221 3.600 544 H TYR 70 H TYR 70 -8.593 4.920 3.874 545 HA TYR 70 HA TYR 70 -10.612 5.431 1.790 546 1HB TYR 70 2HB TYR 70 -10.198 7.770 3.388 547 2HB TYR 70 1HB TYR 70 -11.673 6.841 3.167 548 HD1 TYR 70 1HD TYR 70 -12.225 5.011 4.768 549 HD2 TYR 70 2HD TYR 70 -8.927 7.624 5.395 550 HE1 TYR 70 1HE TYR 70 -12.143 4.329 7.128 551 HE2 TYR 70 2HE TYR 70 -8.834 6.948 7.757 552 HH TYR 70 HH TYR 70 -10.016 4.356 8.978 553 H VAL 71 H VAL 71 -10.175 6.965 0.232 554 HA VAL 71 HA VAL 71 -7.410 7.374 -0.365 555 HB VAL 71 HB VAL 71 -9.123 7.014 -2.118 556 1HG1 VAL 71 1HG1 VAL 71 -10.024 9.789 -1.354 557 2HG1 VAL 71 2HG1 VAL 71 -10.947 8.296 -1.177 558 3HG1 VAL 71 3HG1 VAL 71 -10.556 8.906 -2.785 559 1HG2 VAL 71 1HG2 VAL 71 -6.971 8.839 -2.126 560 2HG2 VAL 71 2HG2 VAL 71 -8.267 9.563 -3.079 561 3HG2 VAL 71 3HG2 VAL 71 -7.658 7.961 -3.493 562 H GLY 72 H GLY 72 -6.168 9.173 -0.164 563 1HA GLY 72 2HA GLY 72 -6.134 11.649 -0.099 564 2HA GLY 72 1HA GLY 72 -7.461 11.540 1.044 565 H LYS 73 H LYS 73 -5.381 9.050 1.762 566 HA LYS 73 HA LYS 73 -3.461 10.580 3.272 567 1HB LYS 73 2HB LYS 73 -5.751 10.380 4.560 568 2HB LYS 73 1HB LYS 73 -5.155 8.768 4.930 569 1HG LYS 73 2HG LYS 73 -3.976 9.612 6.597 570 2HG LYS 73 1HG LYS 73 -3.037 10.554 5.437 571 1HD LYS 73 2HD LYS 73 -4.850 12.292 5.533 572 2HD LYS 73 1HD LYS 73 -5.556 11.381 6.870 573 1HE LYS 73 2HE LYS 73 -2.836 12.673 6.773 574 2HE LYS 73 1HE LYS 73 -4.207 13.147 7.775 575 1HZ LYS 73 1HZ LYS 73 -3.978 10.708 8.627 576 2HZ LYS 73 2HZ LYS 73 -2.984 11.927 9.249 577 3HZ LYS 73 3HZ LYS 73 -2.386 10.868 8.074 578 HA PRO 74 HA PRO 74 -1.150 6.884 2.309 579 1HB PRO 74 2HB PRO 74 0.608 7.738 4.527 580 2HB PRO 74 1HB PRO 74 0.999 7.453 2.828 581 1HG PRO 74 2HG PRO 74 0.897 9.930 3.837 582 2HG PRO 74 1HG PRO 74 0.360 9.576 2.184 583 1HD PRO 74 2HD PRO 74 -1.268 10.046 4.649 584 2HD PRO 74 1HD PRO 74 -1.566 10.571 2.978 585 H LEU 75 H LEU 75 -0.636 4.857 3.262 586 HA LEU 75 HA LEU 75 -1.760 4.481 5.955 587 1HB LEU 75 2HB LEU 75 -2.725 2.398 5.315 588 2HB LEU 75 1HB LEU 75 -3.263 3.627 4.187 589 HG LEU 75 HG LEU 75 -1.164 2.686 2.810 590 1HD1 LEU 75 1HD1 LEU 75 -2.178 0.313 4.369 591 2HD1 LEU 75 2HD1 LEU 75 -0.587 1.050 4.542 592 3HD1 LEU 75 3HD1 LEU 75 -1.036 0.270 3.026 593 1HD2 LEU 75 1HD2 LEU 75 -2.711 1.696 1.403 594 2HD2 LEU 75 2HD2 LEU 75 -3.713 2.828 2.312 595 3HD2 LEU 75 3HD2 LEU 75 -3.709 1.116 2.736 596 H VAL 76 H VAL 76 0.751 3.592 3.667 597 HA VAL 76 HA VAL 76 2.162 2.292 5.904 598 HB VAL 76 HB VAL 76 1.272 0.549 4.366 599 1HG1 VAL 76 1HG1 VAL 76 2.409 2.300 2.390 600 2HG1 VAL 76 2HG1 VAL 76 1.340 0.914 2.175 601 3HG1 VAL 76 3HG1 VAL 76 3.088 0.679 2.246 602 1HG2 VAL 76 1HG2 VAL 76 4.262 0.612 4.153 603 2HG2 VAL 76 2HG2 VAL 76 3.198 -0.769 4.421 604 3HG2 VAL 76 3HG2 VAL 76 3.455 0.410 5.705 605 H ASP 77 H ASP 77 4.495 2.216 5.681 606 HA ASP 77 HA ASP 77 5.577 4.281 3.881 607 1HB ASP 77 2HB ASP 77 6.663 3.754 6.643 608 2HB ASP 77 1HB ASP 77 7.037 5.096 5.575 609 H ILE 78 H ILE 78 7.032 3.451 2.528 610 HA ILE 78 HA ILE 78 8.710 1.228 3.460 611 HB ILE 78 HB ILE 78 7.828 1.230 0.615 612 1HG1 ILE 78 2HG1 ILE 78 5.983 -0.425 1.474 613 2HG1 ILE 78 1HG1 ILE 78 6.132 0.486 2.976 614 1HG2 ILE 78 1HG2 ILE 78 9.499 -0.341 1.125 615 2HG2 ILE 78 2HG2 ILE 78 7.997 -1.264 1.056 616 3HG2 ILE 78 3HG2 ILE 78 8.698 -0.832 2.617 617 1HD1 ILE 78 1HD1 ILE 78 4.977 2.195 2.168 618 2HD1 ILE 78 2HD1 ILE 78 4.512 1.114 0.853 619 3HD1 ILE 78 3HD1 ILE 78 5.884 2.206 0.655 620 H GLU 79 H GLU 79 10.789 1.097 2.538 621 HA GLU 79 HA GLU 79 11.664 3.599 1.278 622 1HB GLU 79 2HB GLU 79 13.618 1.535 2.179 623 2HB GLU 79 1HB GLU 79 13.744 3.287 2.216 624 1HG GLU 79 2HG GLU 79 12.113 3.313 4.080 625 2HG GLU 79 1HG GLU 79 12.150 1.551 4.086 626 H THR 80 H THR 80 11.852 3.591 -0.849 627 HA THR 80 HA THR 80 12.982 1.240 -2.191 628 HB THR 80 HB THR 80 11.212 2.087 -4.085 629 HG1 THR 80 1HG THR 80 9.172 2.187 -2.861 630 1HG2 THR 80 1HG2 THR 80 10.175 0.084 -2.144 631 2HG2 THR 80 2HG2 THR 80 11.724 -0.249 -2.918 632 3HG2 THR 80 3HG2 THR 80 10.283 0.003 -3.903 633 H GLU 81 H GLU 81 13.907 1.741 -4.300 634 HA GLU 81 HA GLU 81 15.445 4.062 -4.312 635 1HB GLU 81 2HB GLU 81 14.650 2.408 -6.716 636 2HB GLU 81 1HB GLU 81 16.036 3.484 -6.606 637 1HG GLU 81 2HG GLU 81 15.599 0.865 -5.213 638 2HG GLU 81 1HG GLU 81 16.876 1.307 -6.344 639 H ALA 82 H ALA 82 15.295 6.024 -5.386 640 HA ALA 82 HA ALA 82 12.981 7.408 -5.455 641 1HB ALA 82 1HB ALA 82 14.029 8.967 -7.036 642 2HB ALA 82 2HB ALA 82 15.276 7.766 -7.376 643 3HB ALA 82 3HB ALA 82 15.141 8.464 -5.762 644 H LEU 83 H LEU 83 11.106 6.886 -6.352 645 HA LEU 83 HA LEU 83 11.085 6.090 -9.189 646 1HB LEU 83 2HB LEU 83 9.784 4.874 -6.841 647 2HB LEU 83 1HB LEU 83 8.750 5.069 -8.243 648 HG LEU 83 HG LEU 83 11.297 3.920 -8.996 649 1HD1 LEU 83 1HD1 LEU 83 11.588 2.811 -7.015 650 2HD1 LEU 83 2HD1 LEU 83 10.549 1.667 -7.865 651 3HD1 LEU 83 3HD1 LEU 83 9.860 2.758 -6.663 652 1HD2 LEU 83 1HD2 LEU 83 9.759 2.160 -9.893 653 2HD2 LEU 83 2HD2 LEU 83 9.402 3.800 -10.437 654 3HD2 LEU 83 3HD2 LEU 83 8.418 3.054 -9.177 655 H LYS 84 H LYS 84 9.655 7.111 -10.509 656 HA LYS 84 HA LYS 84 8.712 9.637 -9.868 657 1HB LYS 84 2HB LYS 84 8.906 8.191 -12.159 658 2HB LYS 84 1HB LYS 84 7.163 8.196 -11.924 659 1HG LYS 84 2HG LYS 84 6.984 10.330 -12.529 660 2HG LYS 84 1HG LYS 84 8.356 10.817 -11.532 661 1HD LYS 84 2HD LYS 84 9.899 10.355 -13.226 662 2HD LYS 84 1HD LYS 84 8.757 9.347 -14.116 663 1HE LYS 84 2HE LYS 84 7.662 11.966 -13.838 664 2HE LYS 84 1HE LYS 84 9.308 12.100 -14.457 665 1HZ LYS 84 1HZ LYS 84 8.788 10.848 -16.326 666 2HZ LYS 84 2HZ LYS 84 7.416 11.816 -16.125 667 3HZ LYS 84 3HZ LYS 84 7.386 10.196 -15.640 668 H ASP 85 H ASP 85 7.305 6.554 -9.221 669 HA ASP 85 HA ASP 85 4.617 6.974 -9.119 670 1HB ASP 85 2HB ASP 85 6.440 5.131 -7.975 671 2HB ASP 85 1HB ASP 85 5.353 5.648 -6.689 672 H LEU 86 H LEU 86 6.921 7.837 -6.533 673 HA LEU 86 HA LEU 86 4.988 9.844 -5.616 674 1HB LEU 86 2HB LEU 86 5.428 7.499 -4.246 675 2HB LEU 86 1HB LEU 86 6.510 8.621 -3.443 676 HG LEU 86 HG LEU 86 3.773 9.627 -3.876 677 1HD1 LEU 86 1HD1 LEU 86 3.213 7.346 -3.351 678 2HD1 LEU 86 2HD1 LEU 86 2.886 8.362 -1.947 679 3HD1 LEU 86 3HD1 LEU 86 4.329 7.348 -1.984 680 1HD2 LEU 86 1HD2 LEU 86 4.104 10.605 -1.747 681 2HD2 LEU 86 2HD2 LEU 86 5.637 10.757 -2.605 682 3HD2 LEU 86 3HD2 LEU 86 5.436 9.512 -1.371 683 H GLU 87 H GLU 87 7.887 9.494 -6.921 684 HA GLU 87 HA GLU 87 8.858 11.998 -6.349 685 1HB GLU 87 2HB GLU 87 10.884 11.200 -4.882 686 2HB GLU 87 1HB GLU 87 9.361 11.648 -4.128 687 1HG GLU 87 2HG GLU 87 8.830 9.483 -3.590 688 2HG GLU 87 1HG GLU 87 9.825 8.804 -4.878 Start of MODEL 10 1 1H MET 1 1HT MET 1 17.289 12.185 1.040 2 2H MET 1 2HT MET 1 16.340 12.473 2.411 3 3H MET 1 3HT MET 1 16.215 10.999 1.591 4 HA MET 1 HA MET 1 18.510 10.469 2.167 5 1HB MET 1 2HB MET 1 18.497 13.245 2.784 6 2HB MET 1 1HB MET 1 18.847 12.379 4.273 7 1HG MET 1 2HG MET 1 20.867 13.024 3.028 8 2HG MET 1 1HG MET 1 20.726 11.283 3.260 9 1HE MET 1 1HE MET 1 22.634 12.705 0.421 10 2HE MET 1 2HE MET 1 22.488 10.974 0.118 11 3HE MET 1 3HE MET 1 22.687 11.566 1.767 12 H GLY 2 H GLY 2 17.676 8.685 3.122 13 1HA GLY 2 2HA GLY 2 17.059 7.332 4.880 14 2HA GLY 2 1HA GLY 2 17.229 8.722 5.939 15 H GLN 3 H GLN 3 15.143 9.106 3.235 16 HA GLN 3 HA GLN 3 12.843 9.111 5.046 17 1HB GLN 3 2HB GLN 3 12.783 10.076 2.205 18 2HB GLN 3 1HB GLN 3 11.779 10.573 3.560 19 1HG GLN 3 2HG GLN 3 13.967 11.487 4.562 20 2HG GLN 3 1HG GLN 3 14.597 11.343 2.922 21 1HE2 GLN 3 1HE2 GLN 3 14.713 13.764 3.715 22 2HE2 GLN 3 2HE2 GLN 3 13.424 14.754 3.130 23 H VAL 4 H VAL 4 10.855 8.120 4.450 24 HA VAL 4 HA VAL 4 11.201 5.837 2.621 25 HB VAL 4 HB VAL 4 9.396 4.712 3.928 26 1HG1 VAL 4 1HG1 VAL 4 11.001 4.722 6.130 27 2HG1 VAL 4 2HG1 VAL 4 12.100 5.295 4.874 28 3HG1 VAL 4 3HG1 VAL 4 11.266 3.750 4.680 29 1HG2 VAL 4 1HG2 VAL 4 8.336 6.676 4.885 30 2HG2 VAL 4 2HG2 VAL 4 9.784 7.013 5.836 31 3HG2 VAL 4 3HG2 VAL 4 8.840 5.558 6.154 32 H VAL 5 H VAL 5 9.544 5.286 1.224 33 HA VAL 5 HA VAL 5 7.654 7.446 0.635 34 HB VAL 5 HB VAL 5 7.347 6.421 -1.533 35 1HG1 VAL 5 1HG1 VAL 5 9.200 7.851 -1.549 36 2HG1 VAL 5 2HG1 VAL 5 9.773 6.377 -2.330 37 3HG1 VAL 5 3HG1 VAL 5 10.201 6.709 -0.652 38 1HG2 VAL 5 1HG2 VAL 5 9.068 4.176 -0.478 39 2HG2 VAL 5 2HG2 VAL 5 8.632 4.381 -2.173 40 3HG2 VAL 5 3HG2 VAL 5 7.377 4.083 -0.971 41 H GLN 6 H GLN 6 5.621 7.247 1.275 42 HA GLN 6 HA GLN 6 4.701 4.637 2.192 43 1HB GLN 6 2HB GLN 6 3.448 7.346 2.625 44 2HB GLN 6 1HB GLN 6 3.020 5.850 3.440 45 1HG GLN 6 2HG GLN 6 4.375 6.587 5.051 46 2HG GLN 6 1HG GLN 6 5.667 6.010 3.999 47 1HE2 GLN 6 1HE2 GLN 6 3.565 8.863 3.822 48 2HE2 GLN 6 2HE2 GLN 6 4.848 10.018 3.785 49 H PHE 7 H PHE 7 2.774 3.703 1.569 50 HA PHE 7 HA PHE 7 1.737 4.642 -0.997 51 1HB PHE 7 2HB PHE 7 2.416 2.353 -1.092 52 2HB PHE 7 1HB PHE 7 1.594 1.976 0.419 53 HD1 PHE 7 1HD PHE 7 -0.816 1.741 0.494 54 HD2 PHE 7 2HD PHE 7 1.217 2.473 -3.167 55 HE1 PHE 7 1HE PHE 7 -2.826 1.076 -0.746 56 HE2 PHE 7 2HE PHE 7 -0.790 1.807 -4.420 57 HZ PHE 7 HZ PHE 7 -2.821 1.106 -3.211 58 H LYS 8 H LYS 8 -0.413 5.100 -1.297 59 HA LYS 8 HA LYS 8 -2.086 5.201 1.126 60 1HB LYS 8 2HB LYS 8 -1.363 7.418 0.713 61 2HB LYS 8 1HB LYS 8 -1.625 7.266 -1.015 62 1HG LYS 8 2HG LYS 8 -4.102 7.030 -0.443 63 2HG LYS 8 1HG LYS 8 -3.654 7.617 1.161 64 1HD LYS 8 2HD LYS 8 -3.259 9.030 -1.475 65 2HD LYS 8 1HD LYS 8 -4.355 9.492 -0.174 66 1HE LYS 8 2HE LYS 8 -1.943 9.376 1.112 67 2HE LYS 8 1HE LYS 8 -1.485 9.976 -0.482 68 1HZ LYS 8 1HZ LYS 8 -2.421 11.945 -0.075 69 2HZ LYS 8 2HZ LYS 8 -2.430 11.488 1.553 70 3HZ LYS 8 3HZ LYS 8 -3.814 11.267 0.607 71 H LEU 9 H LEU 9 -4.252 4.779 0.917 72 HA LEU 9 HA LEU 9 -5.122 2.993 -1.037 73 1HB LEU 9 2HB LEU 9 -6.123 3.269 1.201 74 2HB LEU 9 1HB LEU 9 -6.768 4.821 0.719 75 HG LEU 9 HG LEU 9 -8.468 3.034 0.755 76 1HD1 LEU 9 1HD1 LEU 9 -8.403 3.575 -2.110 77 2HD1 LEU 9 2HD1 LEU 9 -8.154 5.003 -1.106 78 3HD1 LEU 9 3HD1 LEU 9 -9.600 4.017 -0.892 79 1HD2 LEU 9 1HD2 LEU 9 -6.479 1.624 -0.780 80 2HD2 LEU 9 2HD2 LEU 9 -8.046 1.645 -1.595 81 3HD2 LEU 9 3HD2 LEU 9 -7.916 1.021 0.054 82 H SER 10 H SER 10 -5.484 3.348 -3.130 83 HA SER 10 HA SER 10 -6.766 5.869 -3.928 84 1HB SER 10 2HB SER 10 -5.237 6.314 -5.620 85 2HB SER 10 1HB SER 10 -4.186 5.670 -4.359 86 HG SER 10 HG SER 10 -3.614 4.495 -6.068 87 H ASP 11 H ASP 11 -8.674 5.340 -4.744 88 HA ASP 11 HA ASP 11 -9.036 3.852 -7.056 89 1HB ASP 11 2HB ASP 11 -8.456 1.870 -5.792 90 2HB ASP 11 1HB ASP 11 -9.623 2.281 -4.539 91 H ILE 12 H ILE 12 -10.412 4.936 -4.014 92 HA ILE 12 HA ILE 12 -12.871 5.660 -5.465 93 HB ILE 12 HB ILE 12 -13.987 5.347 -3.136 94 1HG1 ILE 12 2HG1 ILE 12 -11.714 4.836 -2.084 95 2HG1 ILE 12 1HG1 ILE 12 -13.039 3.755 -1.674 96 1HG2 ILE 12 1HG2 ILE 12 -14.612 3.071 -3.716 97 2HG2 ILE 12 2HG2 ILE 12 -13.246 2.967 -4.828 98 3HG2 ILE 12 3HG2 ILE 12 -14.562 4.096 -5.151 99 1HD1 ILE 12 1HD1 ILE 12 -11.538 2.856 -3.994 100 2HD1 ILE 12 2HD1 ILE 12 -11.990 1.991 -2.527 101 3HD1 ILE 12 3HD1 ILE 12 -10.546 3.004 -2.541 102 H GLY 13 H GLY 13 -14.176 7.297 -4.173 103 1HA GLY 13 2HA GLY 13 -12.459 9.530 -3.563 104 2HA GLY 13 1HA GLY 13 -14.217 9.540 -3.597 105 H GLU 14 H GLU 14 -13.075 10.930 -1.617 106 HA GLU 14 HA GLU 14 -12.821 9.259 0.744 107 1HB GLU 14 2HB GLU 14 -12.864 12.262 0.763 108 2HB GLU 14 1HB GLU 14 -12.044 11.165 1.865 109 1HG GLU 14 2HG GLU 14 -10.191 11.287 0.671 110 2HG GLU 14 1HG GLU 14 -11.043 10.754 -0.776 111 H GLY 15 H GLY 15 -15.106 8.480 0.513 112 1HA GLY 15 2HA GLY 15 -16.783 9.239 2.447 113 2HA GLY 15 1HA GLY 15 -17.163 10.423 1.208 114 H ILE 16 H ILE 16 -16.645 8.418 -0.938 115 HA ILE 16 HA ILE 16 -19.291 7.507 -1.260 116 HB ILE 16 HB ILE 16 -18.522 6.354 -3.230 117 1HG1 ILE 16 2HG1 ILE 16 -15.850 6.747 -3.538 118 2HG1 ILE 16 1HG1 ILE 16 -15.919 6.415 -1.811 119 1HG2 ILE 16 1HG2 ILE 16 -18.682 8.853 -3.207 120 2HG2 ILE 16 2HG2 ILE 16 -17.622 8.188 -4.450 121 3HG2 ILE 16 3HG2 ILE 16 -16.932 8.899 -2.991 122 1HD1 ILE 16 1HD1 ILE 16 -16.176 4.625 -4.068 123 2HD1 ILE 16 2HD1 ILE 16 -17.519 4.463 -2.937 124 3HD1 ILE 16 3HD1 ILE 16 -15.861 4.271 -2.371 125 H ARG 17 H ARG 17 -16.402 5.984 -0.052 126 HA ARG 17 HA ARG 17 -17.202 4.178 1.676 127 1HB ARG 17 2HB ARG 17 -18.851 3.140 0.268 128 2HB ARG 17 1HB ARG 17 -17.721 3.003 -1.069 129 1HG ARG 17 2HG ARG 17 -16.588 1.585 1.076 130 2HG ARG 17 1HG ARG 17 -18.294 1.152 1.032 131 1HD ARG 17 2HD ARG 17 -18.154 0.316 -1.135 132 2HD ARG 17 1HD ARG 17 -16.658 1.187 -1.475 133 HE ARG 17 HE ARG 17 -15.490 -0.572 -0.604 134 1HH1 ARG 17 1HH1 ARG 17 -18.799 -0.780 0.460 135 2HH1 ARG 17 2HH1 ARG 17 -18.597 -2.328 1.210 136 1HH2 ARG 17 1HH2 ARG 17 -15.212 -2.610 0.381 137 2HH2 ARG 17 2HH2 ARG 17 -16.558 -3.370 1.163 138 H GLU 18 H GLU 18 -15.486 2.791 2.280 139 HA GLU 18 HA GLU 18 -13.039 3.309 0.764 140 1HB GLU 18 2HB GLU 18 -13.553 2.479 3.610 141 2HB GLU 18 1HB GLU 18 -11.942 2.501 2.904 142 1HG GLU 18 2HG GLU 18 -11.779 4.679 3.276 143 2HG GLU 18 1HG GLU 18 -13.235 4.973 2.316 144 H VAL 19 H VAL 19 -11.342 1.418 0.954 145 HA VAL 19 HA VAL 19 -12.818 -1.059 0.290 146 HB VAL 19 HB VAL 19 -11.850 0.027 -1.703 147 1HG1 VAL 19 1HG1 VAL 19 -9.487 0.132 -2.047 148 2HG1 VAL 19 2HG1 VAL 19 -9.176 -0.660 -0.502 149 3HG1 VAL 19 3HG1 VAL 19 -9.863 0.965 -0.538 150 1HG2 VAL 19 1HG2 VAL 19 -10.631 -2.633 -0.966 151 2HG2 VAL 19 2HG2 VAL 19 -10.778 -1.989 -2.601 152 3HG2 VAL 19 3HG2 VAL 19 -12.226 -2.377 -1.673 153 H THR 20 H THR 20 -11.969 -3.037 0.791 154 HA THR 20 HA THR 20 -10.035 -3.034 2.991 155 HB THR 20 HB THR 20 -11.414 -5.537 2.177 156 HG1 THR 20 1HG THR 20 -13.354 -4.773 2.463 157 1HG2 THR 20 1HG2 THR 20 -11.062 -4.278 4.896 158 2HG2 THR 20 2HG2 THR 20 -9.869 -5.331 4.141 159 3HG2 THR 20 3HG2 THR 20 -11.472 -5.952 4.530 160 H VAL 21 H VAL 21 -8.335 -4.590 3.063 161 HA VAL 21 HA VAL 21 -7.117 -5.017 0.477 162 HB VAL 21 HB VAL 21 -6.079 -6.025 3.122 163 1HG1 VAL 21 1HG1 VAL 21 -4.644 -5.258 0.583 164 2HG1 VAL 21 2HG1 VAL 21 -5.048 -6.908 1.054 165 3HG1 VAL 21 3HG1 VAL 21 -3.926 -5.962 2.030 166 1HG2 VAL 21 1HG2 VAL 21 -4.692 -3.885 3.046 167 2HG2 VAL 21 2HG2 VAL 21 -6.382 -3.729 3.526 168 3HG2 VAL 21 3HG2 VAL 21 -5.884 -3.290 1.891 169 H LYS 22 H LYS 22 -6.939 -6.891 -0.629 170 HA LYS 22 HA LYS 22 -8.423 -9.185 0.423 171 1HB LYS 22 2HB LYS 22 -8.817 -8.046 -1.905 172 2HB LYS 22 1HB LYS 22 -7.430 -9.009 -2.396 173 1HG LYS 22 2HG LYS 22 -9.212 -10.362 -2.956 174 2HG LYS 22 1HG LYS 22 -8.740 -10.988 -1.375 175 1HD LYS 22 2HD LYS 22 -10.542 -9.914 -0.299 176 2HD LYS 22 1HD LYS 22 -10.867 -8.889 -1.699 177 1HE LYS 22 2HE LYS 22 -11.302 -11.136 -2.921 178 2HE LYS 22 1HE LYS 22 -11.477 -11.791 -1.293 179 1HZ LYS 22 1HZ LYS 22 -13.374 -10.612 -0.920 180 2HZ LYS 22 2HZ LYS 22 -13.520 -10.838 -2.590 181 3HZ LYS 22 3HZ LYS 22 -12.962 -9.361 -1.984 182 H GLU 23 H GLU 23 -5.256 -8.214 -0.725 183 HA GLU 23 HA GLU 23 -4.210 -10.789 0.217 184 1HB GLU 23 2HB GLU 23 -4.435 -10.450 -2.393 185 2HB GLU 23 1HB GLU 23 -2.944 -9.542 -2.178 186 1HG GLU 23 2HG GLU 23 -1.815 -11.445 -1.312 187 2HG GLU 23 1HG GLU 23 -3.317 -12.362 -1.206 188 H TRP 24 H TRP 24 -2.394 -10.688 1.385 189 HA TRP 24 HA TRP 24 -0.884 -8.167 1.448 190 1HB TRP 24 2HB TRP 24 -2.328 -9.495 3.649 191 2HB TRP 24 1HB TRP 24 -0.676 -9.034 4.040 192 HD1 TRP 24 HD TRP 24 -3.972 -7.695 4.363 193 HE1 TRP 24 1HE TRP 24 -3.979 -5.124 4.478 194 HE3 TRP 24 3HE TRP 24 0.744 -6.796 2.621 195 HZ2 TRP 24 2HZ TRP 24 -2.218 -2.996 3.904 196 HZ3 TRP 24 3HZ TRP 24 1.506 -4.466 2.432 197 HH2 TRP 24 HH TRP 24 0.055 -2.606 3.059 198 H TYR 25 H TYR 25 1.184 -8.557 0.944 199 HA TYR 25 HA TYR 25 2.244 -11.248 1.523 200 1HB TYR 25 2HB TYR 25 2.203 -9.687 -0.884 201 2HB TYR 25 1HB TYR 25 3.870 -10.012 -0.420 202 HD1 TYR 25 1HD TYR 25 4.560 -11.602 -1.987 203 HD2 TYR 25 2HD TYR 25 0.881 -12.176 0.070 204 HE1 TYR 25 1HE TYR 25 4.387 -13.861 -2.942 205 HE2 TYR 25 2HE TYR 25 0.697 -14.437 -0.878 206 HH TYR 25 HH TYR 25 2.950 -16.164 -1.975 207 H VAL 26 H VAL 26 2.520 -8.120 2.598 208 HA VAL 26 HA VAL 26 5.281 -8.638 3.476 209 HB VAL 26 HB VAL 26 5.895 -6.346 3.234 210 1HG1 VAL 26 1HG1 VAL 26 5.271 -5.983 0.735 211 2HG1 VAL 26 2HG1 VAL 26 4.559 -7.590 0.875 212 3HG1 VAL 26 3HG1 VAL 26 6.277 -7.355 1.201 213 1HG2 VAL 26 1HG2 VAL 26 3.683 -5.407 3.912 214 2HG2 VAL 26 2HG2 VAL 26 3.095 -5.745 2.285 215 3HG2 VAL 26 3HG2 VAL 26 4.409 -4.597 2.527 216 H LYS 27 H LYS 27 5.889 -7.402 5.469 217 HA LYS 27 HA LYS 27 3.608 -6.727 7.174 218 1HB LYS 27 2HB LYS 27 5.684 -8.823 7.803 219 2HB LYS 27 1HB LYS 27 4.664 -8.086 9.031 220 1HG LYS 27 2HG LYS 27 3.445 -9.382 6.629 221 2HG LYS 27 1HG LYS 27 3.971 -10.349 8.009 222 1HD LYS 27 2HD LYS 27 2.563 -8.308 9.194 223 2HD LYS 27 1HD LYS 27 1.648 -8.606 7.715 224 1HE LYS 27 2HE LYS 27 2.377 -11.104 8.904 225 2HE LYS 27 1HE LYS 27 1.607 -10.084 10.117 226 1HZ LYS 27 1HZ LYS 27 0.182 -9.926 7.685 227 2HZ LYS 27 2HZ LYS 27 -0.353 -10.468 9.195 228 3HZ LYS 27 3HZ LYS 27 0.373 -11.551 8.118 229 H GLU 28 H GLU 28 4.294 -5.732 9.249 230 HA GLU 28 HA GLU 28 5.879 -3.509 8.878 231 1HB GLU 28 2HB GLU 28 5.552 -4.825 11.568 232 2HB GLU 28 1HB GLU 28 5.682 -3.110 11.207 233 1HG GLU 28 2HG GLU 28 3.469 -3.069 11.375 234 2HG GLU 28 1HG GLU 28 3.456 -3.849 9.794 235 H GLY 29 H GLY 29 8.014 -3.017 9.069 236 1HA GLY 29 2HA GLY 29 10.268 -3.299 9.479 237 2HA GLY 29 1HA GLY 29 9.858 -4.666 10.504 238 H ASP 30 H ASP 30 8.420 -5.141 7.541 239 HA ASP 30 HA ASP 30 10.499 -7.051 6.797 240 1HB ASP 30 2HB ASP 30 7.866 -7.442 7.000 241 2HB ASP 30 1HB ASP 30 7.918 -6.908 5.321 242 H THR 31 H THR 31 11.235 -7.267 4.642 243 HA THR 31 HA THR 31 11.276 -4.716 3.198 244 HB THR 31 HB THR 31 13.049 -7.098 2.661 245 HG1 THR 31 1HG THR 31 13.857 -6.624 4.573 246 1HG2 THR 31 1HG2 THR 31 12.764 -5.182 0.985 247 2HG2 THR 31 2HG2 THR 31 14.410 -5.599 1.463 248 3HG2 THR 31 3HG2 THR 31 13.619 -4.188 2.165 249 H VAL 32 H VAL 32 10.871 -4.617 0.980 250 HA VAL 32 HA VAL 32 9.211 -6.809 -0.033 251 HB VAL 32 HB VAL 32 8.888 -4.654 -1.778 252 1HG1 VAL 32 1HG1 VAL 32 6.683 -4.923 -1.295 253 2HG1 VAL 32 2HG1 VAL 32 6.964 -5.057 0.440 254 3HG1 VAL 32 3HG1 VAL 32 7.318 -6.421 -0.617 255 1HG2 VAL 32 1HG2 VAL 32 9.878 -3.075 -0.262 256 2HG2 VAL 32 2HG2 VAL 32 8.895 -3.673 1.075 257 3HG2 VAL 32 3HG2 VAL 32 8.132 -2.826 -0.269 258 H SER 33 H SER 33 9.282 -7.241 -2.342 259 HA SER 33 HA SER 33 11.818 -6.588 -3.650 260 1HB SER 33 2HB SER 33 10.739 -9.375 -3.188 261 2HB SER 33 1HB SER 33 11.982 -9.007 -4.384 262 HG SER 33 HG SER 33 13.064 -9.562 -2.558 263 H GLN 34 H GLN 34 11.747 -7.421 -6.003 264 HA GLN 34 HA GLN 34 9.569 -6.221 -7.296 265 1HB GLN 34 2HB GLN 34 12.019 -7.554 -8.057 266 2HB GLN 34 1HB GLN 34 10.706 -7.997 -9.139 267 1HG GLN 34 2HG GLN 34 10.498 -5.898 -9.980 268 2HG GLN 34 1HG GLN 34 11.033 -5.126 -8.488 269 1HE2 GLN 34 1HE2 GLN 34 12.436 -7.499 -10.729 270 2HE2 GLN 34 2HE2 GLN 34 13.928 -6.657 -10.954 271 H PHE 35 H PHE 35 9.963 -9.411 -6.056 272 HA PHE 35 HA PHE 35 7.670 -10.380 -7.607 273 1HB PHE 35 2HB PHE 35 8.332 -12.594 -7.036 274 2HB PHE 35 1HB PHE 35 9.800 -11.737 -7.488 275 HD1 PHE 35 1HD PHE 35 11.501 -11.236 -5.856 276 HD2 PHE 35 2HD PHE 35 7.918 -13.241 -4.736 277 HE1 PHE 35 1HE PHE 35 12.530 -11.870 -3.712 278 HE2 PHE 35 2HE PHE 35 8.940 -13.879 -2.591 279 HZ PHE 35 HZ PHE 35 11.249 -13.193 -2.077 280 H ASP 36 H ASP 36 8.549 -9.295 -4.470 281 HA ASP 36 HA ASP 36 6.211 -10.543 -3.239 282 1HB ASP 36 2HB ASP 36 8.691 -10.215 -2.247 283 2HB ASP 36 1HB ASP 36 7.945 -8.732 -1.657 284 H SER 37 H SER 37 4.411 -9.453 -3.791 285 HA SER 37 HA SER 37 4.282 -6.636 -4.135 286 1HB SER 37 2HB SER 37 1.879 -8.326 -3.496 287 2HB SER 37 1HB SER 37 2.002 -6.937 -4.575 288 HG SER 37 HG SER 37 1.897 -9.152 -5.531 289 H ILE 38 H ILE 38 2.949 -5.159 -2.810 290 HA ILE 38 HA ILE 38 3.464 -5.674 0.028 291 HB ILE 38 HB ILE 38 2.728 -3.120 -1.411 292 1HG1 ILE 38 2HG1 ILE 38 5.266 -4.138 -0.130 293 2HG1 ILE 38 1HG1 ILE 38 4.998 -3.829 -1.841 294 1HG2 ILE 38 1HG2 ILE 38 3.404 -2.118 0.880 295 2HG2 ILE 38 2HG2 ILE 38 3.040 -3.722 1.511 296 3HG2 ILE 38 3HG2 ILE 38 1.785 -2.792 0.696 297 1HD1 ILE 38 1HD1 ILE 38 5.250 -1.580 -1.606 298 2HD1 ILE 38 2HD1 ILE 38 6.304 -2.142 -0.307 299 3HD1 ILE 38 3HD1 ILE 38 4.675 -1.574 0.062 300 H CYS 39 H CYS 39 0.873 -3.672 -1.315 301 HA CYS 39 HA CYS 39 -1.029 -5.266 0.263 302 1HB CYS 39 2HB CYS 39 -2.288 -3.320 0.694 303 2HB CYS 39 1HB CYS 39 -0.613 -2.824 0.892 304 HG CYS 39 HG CYS 39 -2.925 -1.639 -1.147 305 H GLU 40 H GLU 40 -3.091 -5.697 -0.581 306 HA GLU 40 HA GLU 40 -3.490 -5.167 -3.434 307 1HB GLU 40 2HB GLU 40 -2.520 -7.563 -2.719 308 2HB GLU 40 1HB GLU 40 -4.232 -7.877 -2.464 309 1HG GLU 40 2HG GLU 40 -3.750 -6.562 -4.993 310 2HG GLU 40 1HG GLU 40 -2.842 -8.066 -4.848 311 H VAL 41 H VAL 41 -5.477 -4.404 -3.791 312 HA VAL 41 HA VAL 41 -7.618 -5.153 -1.917 313 HB VAL 41 HB VAL 41 -8.509 -2.918 -1.921 314 1HG1 VAL 41 1HG1 VAL 41 -6.094 -3.656 -0.740 315 2HG1 VAL 41 2HG1 VAL 41 -7.165 -2.344 -0.246 316 3HG1 VAL 41 3HG1 VAL 41 -5.829 -2.023 -1.352 317 1HG2 VAL 41 1HG2 VAL 41 -7.078 -2.608 -4.299 318 2HG2 VAL 41 2HG2 VAL 41 -6.335 -1.486 -3.160 319 3HG2 VAL 41 3HG2 VAL 41 -8.067 -1.397 -3.483 320 H GLN 42 H GLN 42 -9.779 -4.999 -2.773 321 HA GLN 42 HA GLN 42 -9.959 -4.879 -5.696 322 1HB GLN 42 2HB GLN 42 -10.593 -7.219 -3.954 323 2HB GLN 42 1HB GLN 42 -11.603 -6.924 -5.363 324 1HG GLN 42 2HG GLN 42 -9.936 -7.413 -6.839 325 2HG GLN 42 1HG GLN 42 -8.657 -6.927 -5.727 326 1HE2 GLN 42 1HE2 GLN 42 -7.442 -8.745 -5.834 327 2HE2 GLN 42 2HE2 GLN 42 -7.971 -10.295 -5.283 328 H SER 43 H SER 43 -11.672 -3.786 -6.390 329 HA SER 43 HA SER 43 -13.859 -3.270 -4.484 330 1HB SER 43 2HB SER 43 -12.177 -1.397 -5.629 331 2HB SER 43 1HB SER 43 -13.600 -1.338 -6.669 332 HG SER 43 HG SER 43 -14.001 0.057 -5.018 333 H ASP 44 H ASP 44 -15.990 -3.121 -5.350 334 HA ASP 44 HA ASP 44 -16.759 -5.094 -7.086 335 1HB ASP 44 2HB ASP 44 -18.208 -3.624 -5.558 336 2HB ASP 44 1HB ASP 44 -18.273 -2.495 -6.908 337 H LYS 45 H LYS 45 -16.287 -1.663 -7.896 338 HA LYS 45 HA LYS 45 -16.885 -1.859 -10.617 339 1HB LYS 45 2HB LYS 45 -15.340 0.203 -10.786 340 2HB LYS 45 1HB LYS 45 -16.799 0.321 -9.816 341 1HG LYS 45 2HG LYS 45 -14.732 -0.573 -8.107 342 2HG LYS 45 1HG LYS 45 -14.097 0.773 -9.052 343 1HD LYS 45 2HD LYS 45 -16.613 1.639 -8.359 344 2HD LYS 45 1HD LYS 45 -16.095 0.748 -6.926 345 1HE LYS 45 2HE LYS 45 -14.984 2.587 -6.333 346 2HE LYS 45 1HE LYS 45 -13.860 2.214 -7.640 347 1HZ LYS 45 1HZ LYS 45 -14.921 3.694 -9.071 348 2HZ LYS 45 2HZ LYS 45 -14.892 4.522 -7.597 349 3HZ LYS 45 3HZ LYS 45 -16.319 3.782 -8.122 350 H ALA 46 H ALA 46 -13.626 -1.743 -9.135 351 HA ALA 46 HA ALA 46 -12.677 -3.636 -11.125 352 1HB ALA 46 1HB ALA 46 -11.546 -0.852 -10.880 353 2HB ALA 46 2HB ALA 46 -12.336 -1.563 -12.288 354 3HB ALA 46 3HB ALA 46 -10.770 -2.173 -11.755 355 H SER 47 H SER 47 -10.436 -4.344 -10.686 356 HA SER 47 HA SER 47 -9.935 -4.366 -7.792 357 1HB SER 47 2HB SER 47 -8.889 -6.257 -9.914 358 2HB SER 47 1HB SER 47 -8.694 -6.431 -8.170 359 HG SER 47 HG SER 47 -11.071 -6.610 -9.693 360 H VAL 48 H VAL 48 -7.907 -3.900 -6.952 361 HA VAL 48 HA VAL 48 -5.925 -2.838 -8.852 362 HB VAL 48 HB VAL 48 -6.389 -1.555 -6.174 363 1HG1 VAL 48 1HG1 VAL 48 -4.860 -0.040 -6.817 364 2HG1 VAL 48 2HG1 VAL 48 -5.445 -0.002 -8.480 365 3HG1 VAL 48 3HG1 VAL 48 -4.361 -1.291 -7.956 366 1HG2 VAL 48 1HG2 VAL 48 -8.417 -0.939 -6.938 367 2HG2 VAL 48 2HG2 VAL 48 -8.016 -1.323 -8.613 368 3HG2 VAL 48 3HG2 VAL 48 -7.497 0.210 -7.910 369 H THR 49 H THR 49 -4.035 -3.808 -8.653 370 HA THR 49 HA THR 49 -3.314 -5.000 -6.055 371 HB THR 49 HB THR 49 -1.872 -6.563 -7.307 372 HG1 THR 49 1HG THR 49 -1.403 -5.577 -9.204 373 1HG2 THR 49 1HG2 THR 49 -4.423 -6.954 -8.718 374 2HG2 THR 49 2HG2 THR 49 -4.565 -6.718 -6.976 375 3HG2 THR 49 3HG2 THR 49 -3.564 -8.025 -7.610 376 H ILE 50 H ILE 50 -1.497 -4.306 -5.077 377 HA ILE 50 HA ILE 50 0.100 -2.310 -6.509 378 HB ILE 50 HB ILE 50 0.047 -2.898 -3.551 379 1HG1 ILE 50 2HG1 ILE 50 -2.108 -2.037 -4.319 380 2HG1 ILE 50 1HG1 ILE 50 -1.259 -0.816 -3.379 381 1HG2 ILE 50 1HG2 ILE 50 1.852 -1.416 -5.165 382 2HG2 ILE 50 2HG2 ILE 50 1.833 -1.591 -3.410 383 3HG2 ILE 50 3HG2 ILE 50 0.936 -0.279 -4.175 384 1HD1 ILE 50 1HD1 ILE 50 -1.642 -0.926 -6.350 385 2HD1 ILE 50 2HD1 ILE 50 -0.489 0.157 -5.571 386 3HD1 ILE 50 3HD1 ILE 50 -2.211 0.298 -5.215 387 H THR 51 H THR 51 1.753 -3.180 -7.542 388 HA THR 51 HA THR 51 3.201 -5.452 -6.485 389 HB THR 51 HB THR 51 4.634 -5.138 -8.534 390 HG1 THR 51 1HG THR 51 4.279 -2.929 -8.900 391 1HG2 THR 51 1HG2 THR 51 2.722 -5.686 -10.151 392 2HG2 THR 51 2HG2 THR 51 1.659 -5.514 -8.755 393 3HG2 THR 51 3HG2 THR 51 2.928 -6.740 -8.752 394 H SER 52 H SER 52 5.763 -5.122 -6.884 395 HA SER 52 HA SER 52 6.460 -2.918 -5.091 396 1HB SER 52 2HB SER 52 7.117 -5.440 -4.763 397 2HB SER 52 1HB SER 52 8.406 -5.046 -5.900 398 HG SER 52 HG SER 52 7.893 -3.503 -3.586 399 H ARG 53 H ARG 53 8.027 -4.528 -7.870 400 HA ARG 53 HA ARG 53 9.084 -3.681 -9.696 401 1HB ARG 53 2HB ARG 53 7.958 -1.966 -10.575 402 2HB ARG 53 1HB ARG 53 7.211 -1.660 -9.021 403 1HG ARG 53 2HG ARG 53 8.087 0.393 -9.498 404 2HG ARG 53 1HG ARG 53 9.416 -0.301 -8.573 405 1HD ARG 53 2HD ARG 53 10.573 0.487 -10.379 406 2HD ARG 53 1HD ARG 53 10.179 -1.129 -10.964 407 HE ARG 53 HE ARG 53 8.170 0.768 -11.661 408 1HH1 ARG 53 1HH1 ARG 53 11.332 -0.401 -12.537 409 2HH1 ARG 53 2HH1 ARG 53 11.187 0.070 -14.198 410 1HH2 ARG 53 1HH2 ARG 53 7.967 1.389 -13.842 411 2HH2 ARG 53 2HH2 ARG 53 9.271 1.086 -14.941 412 H TYR 54 H TYR 54 9.925 -3.321 -6.603 413 HA TYR 54 HA TYR 54 12.655 -2.955 -7.075 414 1HB TYR 54 2HB TYR 54 11.082 -0.522 -6.450 415 2HB TYR 54 1HB TYR 54 12.538 -0.751 -5.489 416 HD1 TYR 54 1HD TYR 54 11.260 0.625 -8.446 417 HD2 TYR 54 2HD TYR 54 14.690 -1.370 -6.911 418 HE1 TYR 54 1HE TYR 54 12.609 1.544 -10.285 419 HE2 TYR 54 2HE TYR 54 16.049 -0.456 -8.746 420 HH TYR 54 HH TYR 54 14.598 1.359 -11.384 421 H ASP 55 H ASP 55 13.846 -2.815 -4.915 422 HA ASP 55 HA ASP 55 12.263 -4.294 -2.948 423 1HB ASP 55 2HB ASP 55 14.209 -5.503 -3.556 424 2HB ASP 55 1HB ASP 55 15.238 -4.082 -3.402 425 H GLY 56 H GLY 56 11.656 -3.397 -1.098 426 1HA GLY 56 2HA GLY 56 13.156 -1.068 -0.115 427 2HA GLY 56 1HA GLY 56 11.427 -0.915 -0.376 428 H VAL 57 H VAL 57 12.522 -0.392 2.075 429 HA VAL 57 HA VAL 57 12.001 -2.770 3.708 430 HB VAL 57 HB VAL 57 13.168 -0.095 4.495 431 1HG1 VAL 57 1HG1 VAL 57 13.870 -1.660 6.513 432 2HG1 VAL 57 2HG1 VAL 57 12.388 -2.499 6.056 433 3HG1 VAL 57 3HG1 VAL 57 12.333 -0.794 6.501 434 1HG2 VAL 57 1HG2 VAL 57 15.286 -1.236 4.623 435 2HG2 VAL 57 2HG2 VAL 57 14.600 -1.475 3.016 436 3HG2 VAL 57 3HG2 VAL 57 14.527 -2.772 4.209 437 H ILE 58 H ILE 58 10.050 -3.037 4.544 438 HA ILE 58 HA ILE 58 8.262 -0.730 4.857 439 HB ILE 58 HB ILE 58 7.487 -3.624 5.200 440 1HG1 ILE 58 2HG1 ILE 58 7.213 -2.072 2.635 441 2HG1 ILE 58 1HG1 ILE 58 8.605 -3.103 2.955 442 1HG2 ILE 58 1HG2 ILE 58 5.347 -2.349 4.132 443 2HG2 ILE 58 2HG2 ILE 58 6.081 -1.043 5.068 444 3HG2 ILE 58 3HG2 ILE 58 5.619 -2.547 5.866 445 1HD1 ILE 58 1HD1 ILE 58 6.098 -4.455 3.448 446 2HD1 ILE 58 2HD1 ILE 58 7.469 -4.940 2.452 447 3HD1 ILE 58 3HD1 ILE 58 6.235 -3.866 1.792 448 H LYS 59 H LYS 59 7.872 0.087 6.802 449 HA LYS 59 HA LYS 59 9.015 -1.292 9.101 450 1HB LYS 59 2HB LYS 59 9.875 0.747 9.369 451 2HB LYS 59 1HB LYS 59 8.748 1.457 8.232 452 1HG LYS 59 2HG LYS 59 7.176 1.922 9.929 453 2HG LYS 59 1HG LYS 59 8.008 0.886 11.090 454 1HD LYS 59 2HD LYS 59 8.355 3.350 11.426 455 2HD LYS 59 1HD LYS 59 9.836 2.408 11.255 456 1HE LYS 59 2HE LYS 59 8.874 3.340 8.693 457 2HE LYS 59 1HE LYS 59 9.109 4.679 9.815 458 1HZ LYS 59 1HZ LYS 59 11.102 4.113 8.487 459 2HZ LYS 59 2HZ LYS 59 11.160 2.607 9.255 460 3HZ LYS 59 3HZ LYS 59 11.363 4.023 10.157 461 H LYS 60 H LYS 60 5.853 0.084 8.132 462 HA LYS 60 HA LYS 60 4.657 -1.651 10.119 463 1HB LYS 60 2HB LYS 60 3.795 -0.110 11.560 464 2HB LYS 60 1HB LYS 60 5.277 0.712 11.106 465 1HG LYS 60 2HG LYS 60 2.526 1.257 10.005 466 2HG LYS 60 1HG LYS 60 3.419 2.259 11.150 467 1HD LYS 60 2HD LYS 60 4.756 1.614 8.586 468 2HD LYS 60 1HD LYS 60 3.396 2.735 8.524 469 1HE LYS 60 2HE LYS 60 5.688 3.055 10.444 470 2HE LYS 60 1HE LYS 60 5.695 3.761 8.828 471 1HZ LYS 60 1HZ LYS 60 3.269 4.409 10.059 472 2HZ LYS 60 2HZ LYS 60 4.524 5.450 9.608 473 3HZ LYS 60 3HZ LYS 60 4.508 4.765 11.154 474 H LEU 61 H LEU 61 2.501 -2.080 9.876 475 HA LEU 61 HA LEU 61 1.115 -0.923 7.567 476 1HB LEU 61 2HB LEU 61 1.382 -3.882 8.128 477 2HB LEU 61 1HB LEU 61 0.354 -3.178 6.894 478 HG LEU 61 HG LEU 61 2.953 -2.187 6.406 479 1HD1 LEU 61 1HD1 LEU 61 2.964 -4.873 7.554 480 2HD1 LEU 61 2HD1 LEU 61 4.288 -3.735 7.305 481 3HD1 LEU 61 3HD1 LEU 61 3.745 -4.759 5.976 482 1HD2 LEU 61 1HD2 LEU 61 2.714 -3.741 4.401 483 2HD2 LEU 61 2HD2 LEU 61 1.463 -2.519 4.628 484 3HD2 LEU 61 3HD2 LEU 61 1.155 -4.194 5.088 485 H TYR 62 H TYR 62 -0.670 -0.049 8.419 486 HA TYR 62 HA TYR 62 -1.802 -1.097 10.865 487 1HB TYR 62 2HB TYR 62 -1.537 1.379 10.275 488 2HB TYR 62 1HB TYR 62 -2.933 1.159 9.224 489 HD1 TYR 62 1HD TYR 62 -5.019 1.621 10.097 490 HD2 TYR 62 2HD TYR 62 -1.899 0.473 12.752 491 HE1 TYR 62 1HE TYR 62 -6.521 1.980 12.010 492 HE2 TYR 62 2HE TYR 62 -3.392 0.830 14.672 493 HH TYR 62 HH TYR 62 -6.004 2.568 14.674 494 H TYR 63 H TYR 63 -2.771 -0.836 7.468 495 HA TYR 63 HA TYR 63 -5.329 -2.086 8.049 496 1HB TYR 63 2HB TYR 63 -4.145 -1.191 5.415 497 2HB TYR 63 1HB TYR 63 -5.796 -1.755 5.658 498 HD1 TYR 63 1HD TYR 63 -4.626 1.004 4.639 499 HD2 TYR 63 2HD TYR 63 -6.265 -0.353 8.323 500 HE1 TYR 63 1HE TYR 63 -5.327 3.302 5.168 501 HE2 TYR 63 2HE TYR 63 -6.971 1.939 8.861 502 HH TYR 63 HH TYR 63 -6.336 4.252 8.250 503 H ASN 64 H ASN 64 -5.938 -4.111 7.512 504 HA ASN 64 HA ASN 64 -3.902 -5.863 6.317 505 1HB ASN 64 2HB ASN 64 -5.830 -6.530 8.546 506 2HB ASN 64 1HB ASN 64 -4.777 -7.697 7.742 507 1HD2 ASN 64 1HD2 ASN 64 -2.649 -7.790 8.282 508 2HD2 ASN 64 2HD2 ASN 64 -1.939 -6.865 9.557 509 H LEU 65 H LEU 65 -5.223 -8.120 5.977 510 HA LEU 65 HA LEU 65 -6.678 -7.810 3.662 511 1HB LEU 65 2HB LEU 65 -6.483 -10.036 5.665 512 2HB LEU 65 1HB LEU 65 -7.412 -10.197 4.196 513 HG LEU 65 HG LEU 65 -4.886 -9.254 3.403 514 1HD1 LEU 65 1HD1 LEU 65 -3.489 -11.166 4.300 515 2HD1 LEU 65 2HD1 LEU 65 -4.737 -11.371 5.528 516 3HD1 LEU 65 3HD1 LEU 65 -3.843 -9.855 5.424 517 1HD2 LEU 65 1HD2 LEU 65 -5.010 -10.987 1.959 518 2HD2 LEU 65 2HD2 LEU 65 -6.675 -11.054 2.533 519 3HD2 LEU 65 3HD2 LEU 65 -5.464 -12.143 3.209 520 H ASP 66 H ASP 66 -7.771 -7.421 6.905 521 HA ASP 66 HA ASP 66 -10.570 -7.697 6.051 522 1HB ASP 66 2HB ASP 66 -9.153 -8.361 8.483 523 2HB ASP 66 1HB ASP 66 -10.529 -7.315 8.821 524 H ASP 67 H ASP 67 -8.238 -5.391 7.210 525 HA ASP 67 HA ASP 67 -10.203 -3.432 7.957 526 1HB ASP 67 2HB ASP 67 -7.530 -3.805 8.523 527 2HB ASP 67 1HB ASP 67 -7.521 -2.398 7.464 528 H ILE 68 H ILE 68 -10.406 -1.338 7.033 529 HA ILE 68 HA ILE 68 -10.197 -1.340 4.089 530 HB ILE 68 HB ILE 68 -11.862 0.680 5.481 531 1HG1 ILE 68 2HG1 ILE 68 -12.472 -1.347 6.716 532 2HG1 ILE 68 1HG1 ILE 68 -13.788 -0.834 5.664 533 1HG2 ILE 68 1HG2 ILE 68 -13.151 0.602 3.530 534 2HG2 ILE 68 2HG2 ILE 68 -12.540 -0.987 3.085 535 3HG2 ILE 68 3HG2 ILE 68 -11.483 0.427 2.980 536 1HD1 ILE 68 1HD1 ILE 68 -12.687 -3.362 5.839 537 2HD1 ILE 68 2HD1 ILE 68 -12.036 -2.700 4.339 538 3HD1 ILE 68 3HD1 ILE 68 -13.780 -2.769 4.588 539 H ALA 69 H ALA 69 -9.328 0.346 3.019 540 HA ALA 69 HA ALA 69 -7.858 2.284 4.664 541 1HB ALA 69 1HB ALA 69 -6.248 2.448 2.961 542 2HB ALA 69 2HB ALA 69 -7.306 1.688 1.773 543 3HB ALA 69 3HB ALA 69 -6.611 0.726 3.076 544 H TYR 70 H TYR 70 -7.972 4.473 4.181 545 HA TYR 70 HA TYR 70 -10.168 5.246 2.377 546 1HB TYR 70 2HB TYR 70 -9.664 7.315 4.290 547 2HB TYR 70 1HB TYR 70 -11.135 6.389 4.036 548 HD1 TYR 70 1HD TYR 70 -11.360 4.153 5.253 549 HD2 TYR 70 2HD TYR 70 -8.401 7.045 6.244 550 HE1 TYR 70 1HE TYR 70 -11.081 3.104 7.460 551 HE2 TYR 70 2HE TYR 70 -8.113 6.003 8.453 552 HH TYR 70 HH TYR 70 -10.038 4.302 9.948 553 H VAL 71 H VAL 71 -9.953 7.136 1.175 554 HA VAL 71 HA VAL 71 -7.252 7.700 0.371 555 HB VAL 71 HB VAL 71 -9.605 9.265 -0.624 556 1HG1 VAL 71 1HG1 VAL 71 -8.125 8.616 -2.776 557 2HG1 VAL 71 2HG1 VAL 71 -6.881 8.592 -1.525 558 3HG1 VAL 71 3HG1 VAL 71 -7.840 10.049 -1.787 559 1HG2 VAL 71 1HG2 VAL 71 -9.295 7.054 -2.326 560 2HG2 VAL 71 2HG2 VAL 71 -10.683 7.450 -1.314 561 3HG2 VAL 71 3HG2 VAL 71 -9.411 6.402 -0.693 562 H GLY 72 H GLY 72 -6.095 9.555 0.648 563 1HA GLY 72 2HA GLY 72 -6.197 11.996 1.093 564 2HA GLY 72 1HA GLY 72 -7.306 11.604 2.397 565 H LYS 73 H LYS 73 -5.494 9.159 2.910 566 HA LYS 73 HA LYS 73 -3.143 10.485 4.010 567 1HB LYS 73 2HB LYS 73 -5.170 9.008 5.691 568 2HB LYS 73 1HB LYS 73 -3.551 9.411 6.245 569 1HG LYS 73 2HG LYS 73 -5.206 11.626 5.192 570 2HG LYS 73 1HG LYS 73 -5.665 10.936 6.748 571 1HD LYS 73 2HD LYS 73 -2.809 11.639 6.248 572 2HD LYS 73 1HD LYS 73 -3.960 12.923 6.622 573 1HE LYS 73 2HE LYS 73 -4.554 11.029 8.508 574 2HE LYS 73 1HE LYS 73 -2.806 10.866 8.349 575 1HZ LYS 73 1HZ LYS 73 -3.141 12.475 9.994 576 2HZ LYS 73 2HZ LYS 73 -4.354 13.265 9.121 577 3HZ LYS 73 3HZ LYS 73 -2.745 13.367 8.611 578 HA PRO 74 HA PRO 74 -1.257 6.726 2.528 579 1HB PRO 74 2HB PRO 74 0.726 7.314 4.671 580 2HB PRO 74 1HB PRO 74 0.987 7.008 2.950 581 1HG PRO 74 2HG PRO 74 1.186 9.474 3.926 582 2HG PRO 74 1HG PRO 74 0.437 9.182 2.344 583 1HD PRO 74 2HD PRO 74 -0.856 9.778 4.975 584 2HD PRO 74 1HD PRO 74 -1.301 10.333 3.348 585 H LEU 75 H LEU 75 -0.710 4.590 3.334 586 HA LEU 75 HA LEU 75 -1.854 4.069 5.997 587 1HB LEU 75 2HB LEU 75 -2.921 2.148 5.242 588 2HB LEU 75 1HB LEU 75 -3.193 3.313 3.962 589 HG LEU 75 HG LEU 75 -0.901 2.070 3.114 590 1HD1 LEU 75 1HD1 LEU 75 -2.548 0.136 4.698 591 2HD1 LEU 75 2HD1 LEU 75 -0.796 0.333 4.648 592 3HD1 LEU 75 3HD1 LEU 75 -1.641 -0.395 3.281 593 1HD2 LEU 75 1HD2 LEU 75 -3.781 1.931 2.483 594 2HD2 LEU 75 2HD2 LEU 75 -2.774 0.640 1.826 595 3HD2 LEU 75 3HD2 LEU 75 -2.405 2.323 1.451 596 H VAL 76 H VAL 76 0.722 3.337 3.736 597 HA VAL 76 HA VAL 76 2.125 1.972 5.933 598 HB VAL 76 HB VAL 76 1.184 0.245 4.418 599 1HG1 VAL 76 1HG1 VAL 76 2.054 1.999 2.409 600 2HG1 VAL 76 2HG1 VAL 76 1.296 0.420 2.207 601 3HG1 VAL 76 3HG1 VAL 76 3.054 0.554 2.265 602 1HG2 VAL 76 1HG2 VAL 76 2.954 -1.068 4.820 603 2HG2 VAL 76 2HG2 VAL 76 3.674 0.371 5.541 604 3HG2 VAL 76 3HG2 VAL 76 4.040 -0.055 3.870 605 H ASP 77 H ASP 77 4.379 2.143 5.925 606 HA ASP 77 HA ASP 77 5.462 4.101 4.011 607 1HB ASP 77 2HB ASP 77 6.664 3.614 6.720 608 2HB ASP 77 1HB ASP 77 6.832 5.021 5.680 609 H ILE 78 H ILE 78 7.133 3.489 2.792 610 HA ILE 78 HA ILE 78 8.763 1.200 3.626 611 HB ILE 78 HB ILE 78 7.976 1.341 0.757 612 1HG1 ILE 78 2HG1 ILE 78 6.156 -0.433 1.536 613 2HG1 ILE 78 1HG1 ILE 78 6.190 0.538 3.007 614 1HG2 ILE 78 1HG2 ILE 78 8.824 -0.802 2.676 615 2HG2 ILE 78 2HG2 ILE 78 9.652 -0.227 1.229 616 3HG2 ILE 78 3HG2 ILE 78 8.171 -1.173 1.081 617 1HD1 ILE 78 1HD1 ILE 78 4.677 1.030 0.770 618 2HD1 ILE 78 2HD1 ILE 78 6.021 2.165 0.614 619 3HD1 ILE 78 3HD1 ILE 78 5.023 2.170 2.071 620 H GLU 79 H GLU 79 10.887 1.166 2.720 621 HA GLU 79 HA GLU 79 11.679 3.774 1.633 622 1HB GLU 79 2HB GLU 79 12.914 1.843 3.408 623 2HB GLU 79 1HB GLU 79 13.981 2.241 2.069 624 1HG GLU 79 2HG GLU 79 12.750 4.603 3.184 625 2HG GLU 79 1HG GLU 79 13.627 3.683 4.406 626 H THR 80 H THR 80 11.737 3.901 -0.482 627 HA THR 80 HA THR 80 13.004 1.773 -2.036 628 HB THR 80 HB THR 80 10.983 2.545 -3.733 629 HG1 THR 80 1HG THR 80 9.072 2.283 -2.415 630 1HG2 THR 80 1HG2 THR 80 10.795 0.329 -3.854 631 2HG2 THR 80 2HG2 THR 80 10.127 0.260 -2.223 632 3HG2 THR 80 3HG2 THR 80 11.874 0.198 -2.464 633 H GLU 81 H GLU 81 13.692 2.490 -4.175 634 HA GLU 81 HA GLU 81 14.930 4.990 -4.161 635 1HB GLU 81 2HB GLU 81 14.871 2.754 -5.859 636 2HB GLU 81 1HB GLU 81 14.367 4.108 -6.860 637 1HG GLU 81 2HG GLU 81 16.444 5.283 -5.805 638 2HG GLU 81 1HG GLU 81 16.965 3.629 -5.488 639 H ALA 82 H ALA 82 14.504 6.895 -5.408 640 HA ALA 82 HA ALA 82 12.128 8.118 -5.091 641 1HB ALA 82 1HB ALA 82 14.417 8.887 -6.203 642 2HB ALA 82 2HB ALA 82 12.922 9.807 -6.379 643 3HB ALA 82 3HB ALA 82 13.450 8.727 -7.669 644 H LEU 83 H LEU 83 10.128 7.570 -5.624 645 HA LEU 83 HA LEU 83 9.646 6.436 -8.300 646 1HB LEU 83 2HB LEU 83 8.639 5.625 -5.627 647 2HB LEU 83 1HB LEU 83 7.513 5.530 -6.967 648 HG LEU 83 HG LEU 83 9.928 4.326 -7.833 649 1HD1 LEU 83 1HD1 LEU 83 9.598 4.063 -5.013 650 2HD1 LEU 83 2HD1 LEU 83 10.826 3.349 -6.058 651 3HD1 LEU 83 3HD1 LEU 83 9.307 2.499 -5.774 652 1HD2 LEU 83 1HD2 LEU 83 7.664 2.629 -6.993 653 2HD2 LEU 83 2HD2 LEU 83 8.518 2.705 -8.534 654 3HD2 LEU 83 3HD2 LEU 83 7.294 3.913 -8.144 655 H LYS 84 H LYS 84 7.846 7.128 -9.426 656 HA LYS 84 HA LYS 84 6.937 9.776 -8.788 657 1HB LYS 84 2HB LYS 84 5.542 9.415 -10.909 658 2HB LYS 84 1HB LYS 84 7.292 9.430 -11.076 659 1HG LYS 84 2HG LYS 84 7.365 7.308 -11.774 660 2HG LYS 84 1HG LYS 84 6.163 6.775 -10.596 661 1HD LYS 84 2HD LYS 84 5.364 8.415 -12.975 662 2HD LYS 84 1HD LYS 84 5.578 6.669 -13.111 663 1HE LYS 84 2HE LYS 84 3.619 6.275 -12.131 664 2HE LYS 84 1HE LYS 84 4.009 7.347 -10.786 665 1HZ LYS 84 1HZ LYS 84 3.319 8.663 -13.277 666 2HZ LYS 84 2HZ LYS 84 2.864 9.037 -11.692 667 3HZ LYS 84 3HZ LYS 84 2.057 7.814 -12.536 668 H ASP 85 H ASP 85 5.754 6.589 -8.271 669 HA ASP 85 HA ASP 85 3.070 6.663 -8.319 670 1HB ASP 85 2HB ASP 85 4.708 5.611 -6.008 671 2HB ASP 85 1HB ASP 85 3.049 5.153 -6.382 672 H LEU 86 H LEU 86 4.980 8.006 -5.612 673 HA LEU 86 HA LEU 86 2.778 8.864 -4.094 674 1HB LEU 86 2HB LEU 86 5.444 8.771 -3.676 675 2HB LEU 86 1HB LEU 86 5.236 10.492 -3.937 676 HG LEU 86 HG LEU 86 5.072 10.249 -1.621 677 1HD1 LEU 86 1HD1 LEU 86 2.238 10.150 -2.646 678 2HD1 LEU 86 2HD1 LEU 86 3.245 11.592 -2.509 679 3HD1 LEU 86 3HD1 LEU 86 2.744 10.725 -1.058 680 1HD2 LEU 86 1HD2 LEU 86 3.427 8.520 -0.652 681 2HD2 LEU 86 2HD2 LEU 86 4.986 7.954 -1.250 682 3HD2 LEU 86 3HD2 LEU 86 3.538 7.750 -2.235 683 H GLU 87 H GLU 87 4.187 10.188 -6.936 684 HA GLU 87 HA GLU 87 3.922 12.159 -8.064 685 1HB GLU 87 2HB GLU 87 1.503 12.890 -8.195 686 2HB GLU 87 1HB GLU 87 1.825 11.218 -8.630 687 1HG GLU 87 2HG GLU 87 1.029 10.466 -6.479 688 2HG GLU 87 1HG GLU 87 0.801 12.133 -5.952 Start of MODEL 11 1 1H MET 1 1HT MET 1 20.216 8.467 3.843 2 2H MET 1 2HT MET 1 19.319 7.891 2.531 3 3H MET 1 3HT MET 1 20.984 7.603 2.607 4 HA MET 1 HA MET 1 19.182 5.807 3.314 5 1HB MET 1 2HB MET 1 21.023 4.806 4.698 6 2HB MET 1 1HB MET 1 21.522 5.332 3.096 7 1HG MET 1 2HG MET 1 23.209 6.321 4.163 8 2HG MET 1 1HG MET 1 22.022 7.555 4.580 9 1HE MET 1 1HE MET 1 23.648 7.673 7.896 10 2HE MET 1 2HE MET 1 22.090 8.306 7.364 11 3HE MET 1 3HE MET 1 23.474 8.337 6.271 12 H GLY 2 H GLY 2 17.795 5.336 4.906 13 1HA GLY 2 2HA GLY 2 17.415 5.192 7.328 14 2HA GLY 2 1HA GLY 2 18.059 6.822 7.444 15 H GLN 3 H GLN 3 16.060 6.312 4.727 16 HA GLN 3 HA GLN 3 13.725 7.380 6.161 17 1HB GLN 3 2HB GLN 3 15.094 8.461 3.736 18 2HB GLN 3 1HB GLN 3 13.348 8.621 3.867 19 1HG GLN 3 2HG GLN 3 14.564 9.415 6.328 20 2HG GLN 3 1HG GLN 3 15.327 10.266 4.986 21 1HE2 GLN 3 1HE2 GLN 3 12.557 9.972 6.952 22 2HE2 GLN 3 2HE2 GLN 3 11.612 11.214 6.211 23 H VAL 4 H VAL 4 11.684 6.932 5.198 24 HA VAL 4 HA VAL 4 11.686 4.879 3.102 25 HB VAL 4 HB VAL 4 9.908 3.635 4.355 26 1HG1 VAL 4 1HG1 VAL 4 11.754 2.986 6.241 27 2HG1 VAL 4 2HG1 VAL 4 12.756 3.778 5.024 28 3HG1 VAL 4 3HG1 VAL 4 11.759 2.389 4.581 29 1HG2 VAL 4 1HG2 VAL 4 9.518 5.692 5.879 30 2HG2 VAL 4 2HG2 VAL 4 10.848 5.027 6.828 31 3HG2 VAL 4 3HG2 VAL 4 9.388 4.072 6.565 32 H VAL 5 H VAL 5 9.858 4.795 1.826 33 HA VAL 5 HA VAL 5 8.151 7.173 1.941 34 HB VAL 5 HB VAL 5 7.510 6.634 -0.349 35 1HG1 VAL 5 1HG1 VAL 5 10.342 6.932 0.420 36 2HG1 VAL 5 2HG1 VAL 5 9.326 7.952 -0.598 37 3HG1 VAL 5 3HG1 VAL 5 10.035 6.477 -1.255 38 1HG2 VAL 5 1HG2 VAL 5 7.571 4.178 -0.124 39 2HG2 VAL 5 2HG2 VAL 5 9.334 4.240 -0.116 40 3HG2 VAL 5 3HG2 VAL 5 8.440 4.745 -1.550 41 H GLN 6 H GLN 6 6.027 7.036 2.412 42 HA GLN 6 HA GLN 6 4.999 4.431 3.155 43 1HB GLN 6 2HB GLN 6 3.465 5.589 4.520 44 2HB GLN 6 1HB GLN 6 5.012 6.373 4.734 45 1HG GLN 6 2HG GLN 6 3.030 7.410 2.769 46 2HG GLN 6 1HG GLN 6 2.910 7.805 4.479 47 1HE2 GLN 6 1HE2 GLN 6 3.525 9.427 2.041 48 2HE2 GLN 6 2HE2 GLN 6 4.992 10.253 2.428 49 H PHE 7 H PHE 7 3.044 3.612 2.481 50 HA PHE 7 HA PHE 7 2.002 4.781 0.001 51 1HB PHE 7 2HB PHE 7 2.694 2.590 -0.484 52 2HB PHE 7 1HB PHE 7 2.120 1.966 1.058 53 HD1 PHE 7 1HD PHE 7 1.089 3.086 -2.296 54 HD2 PHE 7 2HD PHE 7 -0.107 1.220 1.335 55 HE1 PHE 7 1HE PHE 7 -1.014 2.375 -3.357 56 HE2 PHE 7 2HE PHE 7 -2.206 0.502 0.282 57 HZ PHE 7 HZ PHE 7 -2.665 1.080 -2.066 58 H LYS 8 H LYS 8 -0.203 5.080 -0.283 59 HA LYS 8 HA LYS 8 -1.887 4.826 2.119 60 1HB LYS 8 2HB LYS 8 -2.864 6.976 1.713 61 2HB LYS 8 1HB LYS 8 -1.117 7.177 1.716 62 1HG LYS 8 2HG LYS 8 -2.215 6.657 -0.934 63 2HG LYS 8 1HG LYS 8 -2.827 8.133 -0.186 64 1HD LYS 8 2HD LYS 8 0.105 7.508 -0.209 65 2HD LYS 8 1HD LYS 8 -0.676 8.269 -1.597 66 1HE LYS 8 2HE LYS 8 -0.968 9.365 1.182 67 2HE LYS 8 1HE LYS 8 0.402 9.792 0.157 68 1HZ LYS 8 1HZ LYS 8 -2.382 10.591 -0.042 69 2HZ LYS 8 2HZ LYS 8 -1.621 10.237 -1.510 70 3HZ LYS 8 3HZ LYS 8 -0.980 11.425 -0.493 71 H LEU 9 H LEU 9 -4.053 4.317 1.790 72 HA LEU 9 HA LEU 9 -4.812 2.605 -0.185 73 1HB LEU 9 2HB LEU 9 -6.129 2.998 1.819 74 2HB LEU 9 1HB LEU 9 -6.533 4.609 1.279 75 HG LEU 9 HG LEU 9 -8.385 2.937 1.069 76 1HD1 LEU 9 1HD1 LEU 9 -7.695 5.006 -0.577 77 2HD1 LEU 9 2HD1 LEU 9 -9.245 4.168 -0.564 78 3HD1 LEU 9 3HD1 LEU 9 -7.992 3.688 -1.710 79 1HD2 LEU 9 1HD2 LEU 9 -6.365 1.454 -0.315 80 2HD2 LEU 9 2HD2 LEU 9 -7.758 1.732 -1.363 81 3HD2 LEU 9 3HD2 LEU 9 -7.977 0.956 0.209 82 H SER 10 H SER 10 -4.923 2.791 -2.319 83 HA SER 10 HA SER 10 -5.785 5.366 -3.462 84 1HB SER 10 2HB SER 10 -4.301 4.652 -5.455 85 2HB SER 10 1HB SER 10 -3.504 5.276 -4.010 86 HG SER 10 HG SER 10 -3.497 2.725 -5.085 87 H ASP 11 H ASP 11 -7.786 5.052 -4.186 88 HA ASP 11 HA ASP 11 -8.345 3.379 -6.364 89 1HB ASP 11 2HB ASP 11 -8.203 1.586 -4.669 90 2HB ASP 11 1HB ASP 11 -9.469 2.382 -3.740 91 H ILE 12 H ILE 12 -9.670 4.984 -3.510 92 HA ILE 12 HA ILE 12 -11.790 6.093 -5.228 93 HB ILE 12 HB ILE 12 -13.111 6.231 -2.993 94 1HG1 ILE 12 2HG1 ILE 12 -11.095 5.375 -1.687 95 2HG1 ILE 12 1HG1 ILE 12 -12.636 4.596 -1.346 96 1HG2 ILE 12 1HG2 ILE 12 -13.898 4.968 -4.863 97 2HG2 ILE 12 2HG2 ILE 12 -14.053 3.962 -3.423 98 3HG2 ILE 12 3HG2 ILE 12 -12.730 3.685 -4.554 99 1HD1 ILE 12 1HD1 ILE 12 -11.790 2.618 -1.854 100 2HD1 ILE 12 2HD1 ILE 12 -10.213 3.382 -2.058 101 3HD1 ILE 12 3HD1 ILE 12 -11.288 3.191 -3.444 102 H GLY 13 H GLY 13 -12.884 8.012 -3.899 103 1HA GLY 13 2HA GLY 13 -10.696 9.883 -3.396 104 2HA GLY 13 1HA GLY 13 -12.378 10.304 -3.682 105 H GLU 14 H GLU 14 -10.546 11.200 -1.571 106 HA GLU 14 HA GLU 14 -11.120 9.968 0.888 107 1HB GLU 14 2HB GLU 14 -9.266 11.467 0.755 108 2HB GLU 14 1HB GLU 14 -10.286 12.782 0.191 109 1HG GLU 14 2HG GLU 14 -9.506 12.872 2.599 110 2HG GLU 14 1HG GLU 14 -11.226 13.116 2.304 111 H GLY 15 H GLY 15 -13.304 9.531 1.101 112 1HA GLY 15 2HA GLY 15 -14.948 11.072 2.529 113 2HA GLY 15 1HA GLY 15 -15.229 11.706 0.914 114 H ILE 16 H ILE 16 -15.423 9.713 -0.726 115 HA ILE 16 HA ILE 16 -17.901 8.514 -0.173 116 HB ILE 16 HB ILE 16 -17.593 7.263 -2.226 117 1HG1 ILE 16 2HG1 ILE 16 -14.945 8.282 -2.908 118 2HG1 ILE 16 1HG1 ILE 16 -14.908 7.217 -1.505 119 1HG2 ILE 16 1HG2 ILE 16 -18.132 9.172 -3.221 120 2HG2 ILE 16 2HG2 ILE 16 -16.413 9.517 -3.413 121 3HG2 ILE 16 3HG2 ILE 16 -17.275 10.099 -1.989 122 1HD1 ILE 16 1HD1 ILE 16 -14.915 6.474 -4.176 123 2HD1 ILE 16 2HD1 ILE 16 -16.544 6.113 -3.604 124 3HD1 ILE 16 3HD1 ILE 16 -15.146 5.426 -2.777 125 H ARG 17 H ARG 17 -17.884 5.929 -0.848 126 HA ARG 17 HA ARG 17 -17.256 4.573 1.485 127 1HB ARG 17 2HB ARG 17 -17.861 3.712 -1.314 128 2HB ARG 17 1HB ARG 17 -17.292 2.510 -0.163 129 1HG ARG 17 2HG ARG 17 -19.440 4.194 0.870 130 2HG ARG 17 1HG ARG 17 -19.893 3.238 -0.542 131 1HD ARG 17 2HD ARG 17 -20.379 1.939 1.402 132 2HD ARG 17 1HD ARG 17 -18.969 1.228 0.619 133 HE ARG 17 HE ARG 17 -17.854 2.874 2.428 134 1HH1 ARG 17 1HH1 ARG 17 -20.351 0.460 2.673 135 2HH1 ARG 17 2HH1 ARG 17 -19.988 0.065 4.320 136 1HH2 ARG 17 1HH2 ARG 17 -17.365 2.362 4.593 137 2HH2 ARG 17 2HH2 ARG 17 -18.287 1.145 5.412 138 H GLU 18 H GLU 18 -15.633 3.030 1.986 139 HA GLU 18 HA GLU 18 -13.051 3.666 0.757 140 1HB GLU 18 2HB GLU 18 -13.796 2.403 3.393 141 2HB GLU 18 1HB GLU 18 -12.139 2.499 2.809 142 1HG GLU 18 2HG GLU 18 -12.010 4.483 3.785 143 2HG GLU 18 1HG GLU 18 -13.126 5.083 2.557 144 H VAL 19 H VAL 19 -11.451 1.652 0.852 145 HA VAL 19 HA VAL 19 -12.977 -0.637 -0.231 146 HB VAL 19 HB VAL 19 -11.841 0.646 -2.015 147 1HG1 VAL 19 1HG1 VAL 19 -9.283 -0.334 -0.765 148 2HG1 VAL 19 2HG1 VAL 19 -9.881 1.321 -0.641 149 3HG1 VAL 19 3HG1 VAL 19 -9.456 0.652 -2.217 150 1HG2 VAL 19 1HG2 VAL 19 -10.942 -1.266 -3.158 151 2HG2 VAL 19 2HG2 VAL 19 -12.327 -1.780 -2.195 152 3HG2 VAL 19 3HG2 VAL 19 -10.690 -2.112 -1.631 153 H THR 20 H THR 20 -12.191 -2.706 0.042 154 HA THR 20 HA THR 20 -10.427 -3.041 2.359 155 HB THR 20 HB THR 20 -11.712 -5.418 1.161 156 HG1 THR 20 1HG THR 20 -13.722 -4.795 1.417 157 1HG2 THR 20 1HG2 THR 20 -10.457 -5.485 3.280 158 2HG2 THR 20 2HG2 THR 20 -12.138 -5.973 3.489 159 3HG2 THR 20 3HG2 THR 20 -11.618 -4.367 3.992 160 H VAL 21 H VAL 21 -8.814 -4.722 2.339 161 HA VAL 21 HA VAL 21 -7.373 -4.780 -0.165 162 HB VAL 21 HB VAL 21 -6.699 -6.196 2.418 163 1HG1 VAL 21 1HG1 VAL 21 -5.383 -5.941 -0.203 164 2HG1 VAL 21 2HG1 VAL 21 -5.236 -7.198 1.025 165 3HG1 VAL 21 3HG1 VAL 21 -4.345 -5.686 1.199 166 1HG2 VAL 21 1HG2 VAL 21 -6.532 -3.392 1.641 167 2HG2 VAL 21 2HG2 VAL 21 -4.988 -4.059 2.171 168 3HG2 VAL 21 3HG2 VAL 21 -6.393 -4.136 3.233 169 H LYS 22 H LYS 22 -7.425 -6.354 -1.645 170 HA LYS 22 HA LYS 22 -9.008 -8.742 -1.070 171 1HB LYS 22 2HB LYS 22 -8.736 -7.066 -3.325 172 2HB LYS 22 1HB LYS 22 -8.054 -8.621 -3.780 173 1HG LYS 22 2HG LYS 22 -10.433 -8.439 -4.338 174 2HG LYS 22 1HG LYS 22 -10.112 -9.741 -3.192 175 1HD LYS 22 2HD LYS 22 -12.127 -8.373 -2.649 176 2HD LYS 22 1HD LYS 22 -10.918 -8.421 -1.365 177 1HE LYS 22 2HE LYS 22 -10.301 -6.226 -1.679 178 2HE LYS 22 1HE LYS 22 -10.824 -6.210 -3.363 179 1HZ LYS 22 1HZ LYS 22 -12.941 -5.719 -2.796 180 2HZ LYS 22 2HZ LYS 22 -12.196 -5.056 -1.429 181 3HZ LYS 22 3HZ LYS 22 -12.894 -6.594 -1.348 182 H GLU 23 H GLU 23 -5.752 -7.735 -1.713 183 HA GLU 23 HA GLU 23 -4.864 -10.494 -1.311 184 1HB GLU 23 2HB GLU 23 -4.812 -9.270 -3.813 185 2HB GLU 23 1HB GLU 23 -3.164 -9.119 -3.221 186 1HG GLU 23 2HG GLU 23 -2.799 -11.193 -3.887 187 2HG GLU 23 1HG GLU 23 -3.924 -11.744 -2.646 188 H TRP 24 H TRP 24 -3.026 -10.719 -0.157 189 HA TRP 24 HA TRP 24 -1.444 -8.339 0.499 190 1HB TRP 24 2HB TRP 24 -3.067 -9.979 2.359 191 2HB TRP 24 1HB TRP 24 -1.441 -9.595 2.908 192 HD1 TRP 24 HD TRP 24 -4.803 -8.287 3.099 193 HE1 TRP 24 1HE TRP 24 -4.827 -5.786 3.695 194 HE3 TRP 24 3HE TRP 24 0.106 -7.196 2.192 195 HZ2 TRP 24 2HZ TRP 24 -3.007 -3.635 3.771 196 HZ3 TRP 24 3HZ TRP 24 0.885 -4.889 2.550 197 HH2 TRP 24 HH TRP 24 -0.643 -3.146 3.322 198 H TYR 25 H TYR 25 0.596 -8.815 -0.068 199 HA TYR 25 HA TYR 25 1.505 -11.593 0.331 200 1HB TYR 25 2HB TYR 25 1.482 -9.994 -2.039 201 2HB TYR 25 1HB TYR 25 3.153 -10.330 -1.600 202 HD1 TYR 25 1HD TYR 25 4.111 -12.290 -2.366 203 HD2 TYR 25 2HD TYR 25 -0.120 -12.105 -1.951 204 HE1 TYR 25 1HE TYR 25 3.922 -14.538 -3.348 205 HE2 TYR 25 2HE TYR 25 -0.320 -14.353 -2.931 206 HH TYR 25 HH TYR 25 1.166 -15.794 -4.556 207 H VAL 26 H VAL 26 1.768 -8.871 1.887 208 HA VAL 26 HA VAL 26 4.569 -9.348 2.596 209 HB VAL 26 HB VAL 26 5.061 -6.951 2.711 210 1HG1 VAL 26 1HG1 VAL 26 4.423 -6.708 0.013 211 2HG1 VAL 26 2HG1 VAL 26 4.619 -8.436 0.288 212 3HG1 VAL 26 3HG1 VAL 26 5.920 -7.325 0.706 213 1HG2 VAL 26 1HG2 VAL 26 2.804 -6.091 1.075 214 2HG2 VAL 26 2HG2 VAL 26 3.530 -5.331 2.488 215 3HG2 VAL 26 3HG2 VAL 26 2.341 -6.616 2.690 216 H LYS 27 H LYS 27 5.149 -8.323 4.686 217 HA LYS 27 HA LYS 27 2.876 -7.707 6.416 218 1HB LYS 27 2HB LYS 27 4.463 -10.160 6.516 219 2HB LYS 27 1HB LYS 27 4.417 -9.305 8.052 220 1HG LYS 27 2HG LYS 27 1.888 -9.228 7.740 221 2HG LYS 27 1HG LYS 27 2.133 -10.430 6.472 222 1HD LYS 27 2HD LYS 27 2.971 -12.016 7.986 223 2HD LYS 27 1HD LYS 27 3.244 -10.801 9.237 224 1HE LYS 27 2HE LYS 27 0.958 -10.626 9.721 225 2HE LYS 27 1HE LYS 27 0.489 -11.406 8.211 226 1HZ LYS 27 1HZ LYS 27 2.101 -13.173 9.675 227 2HZ LYS 27 2HZ LYS 27 0.472 -13.343 9.252 228 3HZ LYS 27 3HZ LYS 27 0.893 -12.588 10.706 229 H GLU 28 H GLU 28 3.608 -6.932 8.585 230 HA GLU 28 HA GLU 28 5.307 -4.764 8.380 231 1HB GLU 28 2HB GLU 28 4.979 -6.249 10.978 232 2HB GLU 28 1HB GLU 28 5.117 -4.518 10.717 233 1HG GLU 28 2HG GLU 28 2.915 -4.462 10.953 234 2HG GLU 28 1HG GLU 28 2.836 -5.156 9.333 235 H GLY 29 H GLY 29 7.469 -4.414 8.611 236 1HA GLY 29 2HA GLY 29 9.705 -4.869 8.976 237 2HA GLY 29 1HA GLY 29 9.217 -6.304 9.864 238 H ASP 30 H ASP 30 7.740 -6.399 6.884 239 HA ASP 30 HA ASP 30 9.729 -8.313 5.916 240 1HB ASP 30 2HB ASP 30 7.168 -8.770 6.192 241 2HB ASP 30 1HB ASP 30 7.039 -7.915 4.658 242 H THR 31 H THR 31 10.361 -8.350 3.697 243 HA THR 31 HA THR 31 10.463 -5.661 2.541 244 HB THR 31 HB THR 31 12.103 -7.977 1.562 245 HG1 THR 31 1HG THR 31 13.243 -7.924 3.340 246 1HG2 THR 31 1HG2 THR 31 12.702 -5.024 1.700 247 2HG2 THR 31 2HG2 THR 31 11.966 -5.812 0.304 248 3HG2 THR 31 3HG2 THR 31 13.596 -6.260 0.813 249 H VAL 32 H VAL 32 9.932 -5.248 0.434 250 HA VAL 32 HA VAL 32 8.217 -7.237 -0.859 251 HB VAL 32 HB VAL 32 7.914 -4.782 -2.205 252 1HG1 VAL 32 1HG1 VAL 32 5.899 -5.438 -0.193 253 2HG1 VAL 32 2HG1 VAL 32 6.361 -6.780 -1.238 254 3HG1 VAL 32 3HG1 VAL 32 5.753 -5.283 -1.943 255 1HG2 VAL 32 1HG2 VAL 32 7.028 -3.408 -0.214 256 2HG2 VAL 32 2HG2 VAL 32 8.762 -3.395 -0.535 257 3HG2 VAL 32 3HG2 VAL 32 8.112 -4.397 0.762 258 H SER 33 H SER 33 8.180 -7.018 -3.322 259 HA SER 33 HA SER 33 10.839 -6.408 -4.400 260 1HB SER 33 2HB SER 33 9.570 -8.847 -5.490 261 2HB SER 33 1HB SER 33 11.268 -8.512 -5.152 262 HG SER 33 HG SER 33 10.481 -10.081 -3.730 263 H GLN 34 H GLN 34 10.859 -6.306 -6.787 264 HA GLN 34 HA GLN 34 8.968 -4.588 -7.812 265 1HB GLN 34 2HB GLN 34 11.115 -4.873 -8.880 266 2HB GLN 34 1HB GLN 34 10.742 -6.545 -9.274 267 1HG GLN 34 2HG GLN 34 8.795 -5.596 -10.632 268 2HG GLN 34 1HG GLN 34 9.613 -4.042 -10.469 269 1HE2 GLN 34 1HE2 GLN 34 10.299 -7.405 -11.369 270 2HE2 GLN 34 2HE2 GLN 34 11.363 -7.019 -12.675 271 H PHE 35 H PHE 35 9.032 -8.106 -7.954 272 HA PHE 35 HA PHE 35 6.517 -8.134 -9.433 273 1HB PHE 35 2HB PHE 35 6.920 -10.683 -9.270 274 2HB PHE 35 1HB PHE 35 7.973 -9.732 -10.311 275 HD1 PHE 35 1HD PHE 35 7.750 -11.261 -6.941 276 HD2 PHE 35 2HD PHE 35 10.282 -9.757 -10.013 277 HE1 PHE 35 1HE PHE 35 9.716 -12.129 -5.741 278 HE2 PHE 35 2HE PHE 35 12.252 -10.623 -8.821 279 HZ PHE 35 HZ PHE 35 11.970 -11.812 -6.682 280 H ASP 36 H ASP 36 7.660 -8.368 -6.211 281 HA ASP 36 HA ASP 36 5.281 -9.772 -5.281 282 1HB ASP 36 2HB ASP 36 7.956 -9.279 -4.239 283 2HB ASP 36 1HB ASP 36 6.708 -8.946 -3.042 284 H SER 37 H SER 37 3.680 -8.238 -5.740 285 HA SER 37 HA SER 37 3.751 -5.532 -5.041 286 1HB SER 37 2HB SER 37 1.083 -6.686 -4.826 287 2HB SER 37 1HB SER 37 1.707 -5.507 -5.980 288 HG SER 37 HG SER 37 1.134 -8.028 -6.430 289 H ILE 38 H ILE 38 2.517 -4.430 -3.348 290 HA ILE 38 HA ILE 38 3.000 -5.666 -0.778 291 HB ILE 38 HB ILE 38 1.854 -2.944 -1.407 292 1HG1 ILE 38 2HG1 ILE 38 4.648 -3.979 -1.017 293 2HG1 ILE 38 1HG1 ILE 38 4.035 -2.914 -2.272 294 1HG2 ILE 38 1HG2 ILE 38 1.283 -3.823 0.839 295 2HG2 ILE 38 2HG2 ILE 38 2.319 -2.398 0.901 296 3HG2 ILE 38 3HG2 ILE 38 3.004 -3.999 1.177 297 1HD1 ILE 38 1HD1 ILE 38 5.555 -1.828 -0.642 298 2HD1 ILE 38 2HD1 ILE 38 4.350 -2.121 0.612 299 3HD1 ILE 38 3HD1 ILE 38 3.964 -1.071 -0.753 300 H CYS 39 H CYS 39 0.162 -3.855 -1.964 301 HA CYS 39 HA CYS 39 -1.570 -6.009 -1.002 302 1HB CYS 39 2HB CYS 39 -3.085 -4.177 -0.025 303 2HB CYS 39 1HB CYS 39 -1.651 -4.628 0.888 304 HG CYS 39 HG CYS 39 -1.467 -1.987 -1.239 305 H GLU 40 H GLU 40 -3.494 -6.228 -2.090 306 HA GLU 40 HA GLU 40 -3.906 -4.399 -4.365 307 1HB GLU 40 2HB GLU 40 -4.144 -7.388 -4.175 308 2HB GLU 40 1HB GLU 40 -5.050 -6.495 -5.389 309 1HG GLU 40 2HG GLU 40 -3.114 -5.786 -6.483 310 2HG GLU 40 1HG GLU 40 -2.086 -6.174 -5.104 311 H VAL 41 H VAL 41 -5.786 -3.348 -4.368 312 HA VAL 41 HA VAL 41 -7.978 -4.423 -2.714 313 HB VAL 41 HB VAL 41 -8.734 -2.117 -2.368 314 1HG1 VAL 41 1HG1 VAL 41 -7.482 -2.076 -0.533 315 2HG1 VAL 41 2HG1 VAL 41 -6.050 -1.642 -1.467 316 3HG1 VAL 41 3HG1 VAL 41 -6.474 -3.338 -1.241 317 1HG2 VAL 41 1HG2 VAL 41 -6.204 -1.295 -3.791 318 2HG2 VAL 41 2HG2 VAL 41 -7.402 -0.224 -3.064 319 3HG2 VAL 41 3HG2 VAL 41 -7.826 -1.194 -4.475 320 H GLN 42 H GLN 42 -10.047 -4.412 -3.529 321 HA GLN 42 HA GLN 42 -10.466 -3.351 -6.224 322 1HB GLN 42 2HB GLN 42 -10.919 -6.211 -5.377 323 2HB GLN 42 1HB GLN 42 -11.697 -5.507 -6.788 324 1HG GLN 42 2HG GLN 42 -9.329 -4.904 -7.553 325 2HG GLN 42 1HG GLN 42 -8.790 -6.048 -6.324 326 1HE2 GLN 42 1HE2 GLN 42 -7.949 -6.828 -8.568 327 2HE2 GLN 42 2HE2 GLN 42 -8.922 -8.041 -9.320 328 H SER 43 H SER 43 -12.322 -2.279 -6.370 329 HA SER 43 HA SER 43 -14.498 -2.944 -4.506 330 1HB SER 43 2HB SER 43 -14.886 -0.674 -3.972 331 2HB SER 43 1HB SER 43 -13.136 -0.864 -3.867 332 HG SER 43 HG SER 43 -14.010 1.014 -5.085 333 H ASP 44 H ASP 44 -16.628 -2.369 -5.239 334 HA ASP 44 HA ASP 44 -17.356 -3.151 -7.719 335 1HB ASP 44 2HB ASP 44 -19.362 -1.518 -7.416 336 2HB ASP 44 1HB ASP 44 -19.135 -2.823 -6.256 337 H LYS 45 H LYS 45 -16.116 -0.003 -6.859 338 HA LYS 45 HA LYS 45 -16.808 1.379 -9.218 339 1HB LYS 45 2HB LYS 45 -16.144 2.702 -7.381 340 2HB LYS 45 1HB LYS 45 -14.681 1.765 -7.123 341 1HG LYS 45 2HG LYS 45 -14.675 2.974 -9.739 342 2HG LYS 45 1HG LYS 45 -14.922 4.183 -8.477 343 1HD LYS 45 2HD LYS 45 -12.949 2.723 -7.360 344 2HD LYS 45 1HD LYS 45 -12.566 2.508 -9.068 345 1HE LYS 45 2HE LYS 45 -12.638 5.015 -7.442 346 2HE LYS 45 1HE LYS 45 -11.368 4.411 -8.505 347 1HZ LYS 45 1HZ LYS 45 -12.242 6.010 -9.831 348 2HZ LYS 45 2HZ LYS 45 -13.793 5.900 -9.165 349 3HZ LYS 45 3HZ LYS 45 -13.269 4.743 -10.283 350 H ALA 46 H ALA 46 -13.496 0.448 -8.319 351 HA ALA 46 HA ALA 46 -13.095 -0.814 -10.905 352 1HB ALA 46 1HB ALA 46 -11.063 1.237 -10.195 353 2HB ALA 46 2HB ALA 46 -12.578 1.776 -10.919 354 3HB ALA 46 3HB ALA 46 -11.551 0.626 -11.776 355 H SER 47 H SER 47 -10.988 -1.903 -11.047 356 HA SER 47 HA SER 47 -10.185 -2.888 -8.406 357 1HB SER 47 2HB SER 47 -9.608 -4.050 -11.142 358 2HB SER 47 1HB SER 47 -9.260 -4.813 -9.591 359 HG SER 47 HG SER 47 -11.459 -4.973 -9.208 360 H VAL 48 H VAL 48 -8.311 -2.284 -7.546 361 HA VAL 48 HA VAL 48 -6.205 -1.283 -9.347 362 HB VAL 48 HB VAL 48 -6.632 -0.213 -6.569 363 1HG1 VAL 48 1HG1 VAL 48 -5.524 1.701 -8.283 364 2HG1 VAL 48 2HG1 VAL 48 -4.703 0.186 -8.662 365 3HG1 VAL 48 3HG1 VAL 48 -4.704 0.798 -7.008 366 1HG2 VAL 48 1HG2 VAL 48 -7.920 1.586 -7.402 367 2HG2 VAL 48 2HG2 VAL 48 -8.655 0.120 -8.049 368 3HG2 VAL 48 3HG2 VAL 48 -7.626 1.117 -9.077 369 H THR 49 H THR 49 -4.215 -2.052 -9.059 370 HA THR 49 HA THR 49 -3.715 -3.780 -6.723 371 HB THR 49 HB THR 49 -2.166 -5.071 -8.081 372 HG1 THR 49 1HG THR 49 -1.374 -4.192 -9.827 373 1HG2 THR 49 1HG2 THR 49 -4.158 -6.146 -8.327 374 2HG2 THR 49 2HG2 THR 49 -3.925 -5.661 -10.007 375 3HG2 THR 49 3HG2 THR 49 -4.976 -4.714 -8.954 376 H ILE 50 H ILE 50 -2.006 -3.285 -5.449 377 HA ILE 50 HA ILE 50 -0.408 -0.960 -6.236 378 HB ILE 50 HB ILE 50 -0.495 -2.247 -3.515 379 1HG1 ILE 50 2HG1 ILE 50 -2.759 -1.525 -4.271 380 2HG1 ILE 50 1HG1 ILE 50 -2.168 -0.615 -2.885 381 1HG2 ILE 50 1HG2 ILE 50 0.664 -0.436 -2.734 382 2HG2 ILE 50 2HG2 ILE 50 0.088 0.625 -4.022 383 3HG2 ILE 50 3HG2 ILE 50 1.341 -0.570 -4.357 384 1HD1 ILE 50 1HD1 ILE 50 -1.367 0.758 -5.227 385 2HD1 ILE 50 2HD1 ILE 50 -2.516 1.267 -3.990 386 3HD1 ILE 50 3HD1 ILE 50 -3.075 0.349 -5.388 387 H THR 51 H THR 51 1.367 -1.484 -7.310 388 HA THR 51 HA THR 51 2.900 -3.855 -6.551 389 HB THR 51 HB THR 51 4.275 -2.593 -8.614 390 HG1 THR 51 1HG THR 51 2.505 -2.275 -10.151 391 1HG2 THR 51 1HG2 THR 51 4.161 -4.732 -9.230 392 2HG2 THR 51 2HG2 THR 51 2.520 -4.437 -9.804 393 3HG2 THR 51 3HG2 THR 51 2.789 -5.012 -8.158 394 H SER 52 H SER 52 5.432 -3.323 -6.906 395 HA SER 52 HA SER 52 5.982 -0.995 -5.185 396 1HB SER 52 2HB SER 52 6.360 -3.244 -4.126 397 2HB SER 52 1HB SER 52 7.622 -3.531 -5.325 398 HG SER 52 HG SER 52 7.595 -1.815 -3.134 399 H ARG 53 H ARG 53 6.891 -2.775 -8.042 400 HA ARG 53 HA ARG 53 8.252 -2.298 -9.796 401 1HB ARG 53 2HB ARG 53 8.868 0.482 -9.172 402 2HB ARG 53 1HB ARG 53 8.091 -0.202 -10.587 403 1HG ARG 53 2HG ARG 53 6.802 0.664 -8.010 404 2HG ARG 53 1HG ARG 53 6.576 1.331 -9.624 405 1HD ARG 53 2HD ARG 53 5.961 -1.430 -9.753 406 2HD ARG 53 1HD ARG 53 5.134 -0.765 -8.345 407 HE ARG 53 HE ARG 53 4.411 -0.374 -11.034 408 1HH1 ARG 53 1HH1 ARG 53 4.730 1.385 -8.045 409 2HH1 ARG 53 2HH1 ARG 53 3.513 2.549 -8.449 410 1HH2 ARG 53 1HH2 ARG 53 2.809 1.156 -11.578 411 2HH2 ARG 53 2HH2 ARG 53 2.422 2.420 -10.459 412 H TYR 54 H TYR 54 9.304 -2.645 -6.850 413 HA TYR 54 HA TYR 54 12.010 -2.914 -7.468 414 1HB TYR 54 2HB TYR 54 11.183 -0.263 -6.537 415 2HB TYR 54 1HB TYR 54 12.421 -0.988 -5.517 416 HD1 TYR 54 1HD TYR 54 14.436 -2.071 -6.877 417 HD2 TYR 54 2HD TYR 54 11.875 0.993 -8.344 418 HE1 TYR 54 1HE TYR 54 16.164 -1.411 -8.497 419 HE2 TYR 54 2HE TYR 54 13.595 1.661 -9.969 420 HH TYR 54 HH TYR 54 15.528 0.809 -11.060 421 H ASP 55 H ASP 55 13.286 -3.222 -5.278 422 HA ASP 55 HA ASP 55 11.482 -4.747 -3.554 423 1HB ASP 55 2HB ASP 55 14.495 -4.741 -3.380 424 2HB ASP 55 1HB ASP 55 13.372 -5.962 -2.788 425 H GLY 56 H GLY 56 10.762 -3.816 -1.760 426 1HA GLY 56 2HA GLY 56 12.497 -1.804 -0.476 427 2HA GLY 56 1HA GLY 56 10.780 -1.529 -0.701 428 H VAL 57 H VAL 57 11.930 -1.271 1.758 429 HA VAL 57 HA VAL 57 11.283 -3.745 3.200 430 HB VAL 57 HB VAL 57 12.564 -1.244 4.295 431 1HG1 VAL 57 1HG1 VAL 57 11.507 -3.578 5.529 432 2HG1 VAL 57 2HG1 VAL 57 12.325 -2.206 6.279 433 3HG1 VAL 57 3HG1 VAL 57 13.261 -3.591 5.716 434 1HG2 VAL 57 1HG2 VAL 57 13.986 -3.795 3.587 435 2HG2 VAL 57 2HG2 VAL 57 14.680 -2.222 3.980 436 3HG2 VAL 57 3HG2 VAL 57 13.835 -2.456 2.450 437 H ILE 58 H ILE 58 9.357 -3.978 4.070 438 HA ILE 58 HA ILE 58 7.718 -1.617 4.686 439 HB ILE 58 HB ILE 58 6.834 -4.504 4.626 440 1HG1 ILE 58 2HG1 ILE 58 6.331 -2.534 2.417 441 2HG1 ILE 58 1HG1 ILE 58 7.819 -3.476 2.446 442 1HG2 ILE 58 1HG2 ILE 58 4.642 -3.130 4.022 443 2HG2 ILE 58 2HG2 ILE 58 5.474 -1.896 4.972 444 3HG2 ILE 58 3HG2 ILE 58 5.117 -3.467 5.689 445 1HD1 ILE 58 1HD1 ILE 58 6.778 -5.341 1.784 446 2HD1 ILE 58 2HD1 ILE 58 5.492 -4.246 1.276 447 3HD1 ILE 58 3HD1 ILE 58 5.398 -5.054 2.839 448 H LYS 59 H LYS 59 7.544 -0.981 6.743 449 HA LYS 59 HA LYS 59 8.502 -2.798 8.824 450 1HB LYS 59 2HB LYS 59 9.151 -0.236 8.350 451 2HB LYS 59 1HB LYS 59 7.855 -0.003 9.516 452 1HG LYS 59 2HG LYS 59 8.999 -1.244 11.174 453 2HG LYS 59 1HG LYS 59 10.179 -1.844 10.007 454 1HD LYS 59 2HD LYS 59 11.175 0.298 9.781 455 2HD LYS 59 1HD LYS 59 9.851 1.078 10.647 456 1HE LYS 59 2HE LYS 59 10.977 0.838 12.544 457 2HE LYS 59 1HE LYS 59 10.891 -0.913 12.354 458 1HZ LYS 59 1HZ LYS 59 13.030 -1.016 11.792 459 2HZ LYS 59 2HZ LYS 59 13.166 0.562 12.385 460 3HZ LYS 59 3HZ LYS 59 12.925 0.298 10.731 461 H LYS 60 H LYS 60 5.602 -0.793 8.159 462 HA LYS 60 HA LYS 60 4.250 -2.419 10.205 463 1HB LYS 60 2HB LYS 60 3.287 0.348 10.089 464 2HB LYS 60 1HB LYS 60 3.574 -0.690 11.475 465 1HG LYS 60 2HG LYS 60 5.136 0.931 11.840 466 2HG LYS 60 1HG LYS 60 6.096 -0.214 10.899 467 1HD LYS 60 2HD LYS 60 5.502 1.091 8.849 468 2HD LYS 60 1HD LYS 60 4.739 2.287 9.901 469 1HE LYS 60 2HE LYS 60 7.470 1.569 10.679 470 2HE LYS 60 1HE LYS 60 7.349 2.336 9.098 471 1HZ LYS 60 1HZ LYS 60 7.218 4.264 10.152 472 2HZ LYS 60 2HZ LYS 60 7.141 3.510 11.663 473 3HZ LYS 60 3HZ LYS 60 5.723 3.795 10.788 474 H LEU 61 H LEU 61 2.266 -3.086 9.776 475 HA LEU 61 HA LEU 61 0.756 -1.889 7.570 476 1HB LEU 61 2HB LEU 61 1.481 -4.793 7.898 477 2HB LEU 61 1HB LEU 61 0.074 -4.297 6.976 478 HG LEU 61 HG LEU 61 2.775 -3.174 6.317 479 1HD1 LEU 61 1HD1 LEU 61 2.663 -5.780 6.434 480 2HD1 LEU 61 2HD1 LEU 61 3.406 -4.981 5.050 481 3HD1 LEU 61 3HD1 LEU 61 1.763 -5.608 4.927 482 1HD2 LEU 61 1HD2 LEU 61 0.100 -3.119 5.210 483 2HD2 LEU 61 2HD2 LEU 61 1.296 -3.652 4.029 484 3HD2 LEU 61 3HD2 LEU 61 1.494 -2.103 4.847 485 H TYR 62 H TYR 62 -1.299 -1.491 8.174 486 HA TYR 62 HA TYR 62 -2.245 -2.759 10.651 487 1HB TYR 62 2HB TYR 62 -2.032 -0.097 10.008 488 2HB TYR 62 1HB TYR 62 -3.734 -0.425 9.703 489 HD1 TYR 62 1HD TYR 62 -4.364 -2.392 11.794 490 HD2 TYR 62 2HD TYR 62 -1.979 1.126 11.981 491 HE1 TYR 62 1HE TYR 62 -4.825 -2.214 14.202 492 HE2 TYR 62 2HE TYR 62 -2.432 1.312 14.390 493 HH TYR 62 HH TYR 62 -3.231 0.189 16.210 494 H TYR 63 H TYR 63 -3.227 -1.994 7.342 495 HA TYR 63 HA TYR 63 -5.826 -3.223 7.777 496 1HB TYR 63 2HB TYR 63 -4.651 -1.984 5.284 497 2HB TYR 63 1HB TYR 63 -6.320 -2.514 5.480 498 HD1 TYR 63 1HD TYR 63 -4.906 0.337 4.958 499 HD2 TYR 63 2HD TYR 63 -6.821 -1.544 8.257 500 HE1 TYR 63 1HE TYR 63 -5.495 2.545 5.869 501 HE2 TYR 63 2HE TYR 63 -7.415 0.655 9.177 502 HH TYR 63 HH TYR 63 -6.841 2.919 9.052 503 H ASN 64 H ASN 64 -6.519 -5.129 7.000 504 HA ASN 64 HA ASN 64 -4.556 -6.799 5.576 505 1HB ASN 64 2HB ASN 64 -6.689 -7.680 7.529 506 2HB ASN 64 1HB ASN 64 -5.566 -8.746 6.682 507 1HD2 ASN 64 1HD2 ASN 64 -4.212 -9.506 8.139 508 2HD2 ASN 64 2HD2 ASN 64 -3.358 -8.575 9.318 509 H LEU 65 H LEU 65 -5.984 -8.887 4.844 510 HA LEU 65 HA LEU 65 -7.263 -8.186 2.521 511 1HB LEU 65 2HB LEU 65 -7.202 -10.624 4.230 512 2HB LEU 65 1HB LEU 65 -8.306 -10.574 2.877 513 HG LEU 65 HG LEU 65 -5.587 -9.783 2.167 514 1HD1 LEU 65 1HD1 LEU 65 -4.883 -11.363 3.791 515 2HD1 LEU 65 2HD1 LEU 65 -4.764 -12.151 2.218 516 3HD1 LEU 65 3HD1 LEU 65 -6.114 -12.522 3.290 517 1HD2 LEU 65 1HD2 LEU 65 -5.989 -11.211 0.288 518 2HD2 LEU 65 2HD2 LEU 65 -7.450 -10.270 0.588 519 3HD2 LEU 65 3HD2 LEU 65 -7.370 -11.960 1.090 520 H ASP 66 H ASP 66 -8.563 -8.163 5.728 521 HA ASP 66 HA ASP 66 -11.297 -8.064 4.653 522 1HB ASP 66 2HB ASP 66 -10.174 -8.822 7.321 523 2HB ASP 66 1HB ASP 66 -11.845 -8.279 7.199 524 H ASP 67 H ASP 67 -8.922 -6.146 6.337 525 HA ASP 67 HA ASP 67 -10.797 -4.199 7.279 526 1HB ASP 67 2HB ASP 67 -7.843 -3.733 6.939 527 2HB ASP 67 1HB ASP 67 -8.941 -2.989 8.096 528 H ILE 68 H ILE 68 -10.981 -2.033 6.633 529 HA ILE 68 HA ILE 68 -10.587 -1.617 3.743 530 HB ILE 68 HB ILE 68 -12.300 0.218 5.338 531 1HG1 ILE 68 2HG1 ILE 68 -12.918 -2.130 6.046 532 2HG1 ILE 68 1HG1 ILE 68 -14.218 -1.209 5.294 533 1HG2 ILE 68 1HG2 ILE 68 -13.432 0.520 3.306 534 2HG2 ILE 68 2HG2 ILE 68 -12.808 -0.982 2.635 535 3HG2 ILE 68 3HG2 ILE 68 -11.729 0.398 2.860 536 1HD1 ILE 68 1HD1 ILE 68 -14.363 -2.605 3.550 537 2HD1 ILE 68 2HD1 ILE 68 -13.545 -3.737 4.630 538 3HD1 ILE 68 3HD1 ILE 68 -12.616 -2.813 3.448 539 H ALA 69 H ALA 69 -9.625 0.196 2.974 540 HA ALA 69 HA ALA 69 -8.281 1.878 4.979 541 1HB ALA 69 1HB ALA 69 -7.306 1.417 2.173 542 2HB ALA 69 2HB ALA 69 -6.848 0.377 3.522 543 3HB ALA 69 3HB ALA 69 -6.423 2.089 3.544 544 H TYR 70 H TYR 70 -7.961 4.101 4.429 545 HA TYR 70 HA TYR 70 -10.031 5.149 2.613 546 1HB TYR 70 2HB TYR 70 -8.870 6.891 4.729 547 2HB TYR 70 1HB TYR 70 -10.504 6.851 4.082 548 HD1 TYR 70 1HD TYR 70 -8.177 4.841 6.197 549 HD2 TYR 70 2HD TYR 70 -12.203 5.935 5.370 550 HE1 TYR 70 1HE TYR 70 -8.917 3.586 8.176 551 HE2 TYR 70 2HE TYR 70 -12.954 4.687 7.352 552 HH TYR 70 HH TYR 70 -11.785 3.965 9.628 553 H VAL 71 H VAL 71 -9.504 6.758 1.175 554 HA VAL 71 HA VAL 71 -6.697 6.991 0.522 555 HB VAL 71 HB VAL 71 -8.282 6.699 -1.294 556 1HG1 VAL 71 1HG1 VAL 71 -9.720 8.773 0.128 557 2HG1 VAL 71 2HG1 VAL 71 -10.299 7.603 -1.059 558 3HG1 VAL 71 3HG1 VAL 71 -9.576 9.120 -1.595 559 1HG2 VAL 71 1HG2 VAL 71 -6.231 8.000 -1.703 560 2HG2 VAL 71 2HG2 VAL 71 -7.120 9.482 -1.350 561 3HG2 VAL 71 3HG2 VAL 71 -7.563 8.499 -2.746 562 H GLY 72 H GLY 72 -5.416 8.747 0.775 563 1HA GLY 72 2HA GLY 72 -5.331 11.229 0.885 564 2HA GLY 72 1HA GLY 72 -6.648 11.115 2.042 565 H LYS 73 H LYS 73 -5.198 8.610 3.105 566 HA LYS 73 HA LYS 73 -3.000 9.955 4.500 567 1HB LYS 73 2HB LYS 73 -5.270 9.869 5.780 568 2HB LYS 73 1HB LYS 73 -4.869 8.175 6.022 569 1HG LYS 73 2HG LYS 73 -3.977 9.060 7.916 570 2HG LYS 73 1HG LYS 73 -2.581 9.186 6.844 571 1HD LYS 73 2HD LYS 73 -3.014 11.497 6.432 572 2HD LYS 73 1HD LYS 73 -4.574 11.408 7.252 573 1HE LYS 73 2HE LYS 73 -2.572 10.491 9.046 574 2HE LYS 73 1HE LYS 73 -2.025 12.015 8.347 575 1HZ LYS 73 1HZ LYS 73 -3.286 12.891 9.962 576 2HZ LYS 73 2HZ LYS 73 -4.222 11.496 10.160 577 3HZ LYS 73 3HZ LYS 73 -4.574 12.580 8.910 578 HA PRO 74 HA PRO 74 -0.944 6.158 3.338 579 1HB PRO 74 2HB PRO 74 0.979 6.889 5.459 580 2HB PRO 74 1HB PRO 74 1.257 6.612 3.738 581 1HG PRO 74 2HG PRO 74 1.340 9.074 4.781 582 2HG PRO 74 1HG PRO 74 0.685 8.775 3.160 583 1HD PRO 74 2HD PRO 74 -0.766 9.272 5.730 584 2HD PRO 74 1HD PRO 74 -1.131 9.858 4.093 585 H LEU 75 H LEU 75 -0.557 4.103 4.191 586 HA LEU 75 HA LEU 75 -1.559 3.699 6.931 587 1HB LEU 75 2HB LEU 75 -2.506 1.593 6.234 588 2HB LEU 75 1HB LEU 75 -3.128 2.888 5.230 589 HG LEU 75 HG LEU 75 -0.836 1.838 3.925 590 1HD1 LEU 75 1HD1 LEU 75 -2.373 -0.473 3.702 591 2HD1 LEU 75 2HD1 LEU 75 -2.251 -0.171 5.435 592 3HD1 LEU 75 3HD1 LEU 75 -0.789 -0.315 4.459 593 1HD2 LEU 75 1HD2 LEU 75 -2.446 2.775 2.573 594 2HD2 LEU 75 2HD2 LEU 75 -3.775 1.979 3.417 595 3HD2 LEU 75 3HD2 LEU 75 -2.740 1.054 2.329 596 H VAL 76 H VAL 76 0.923 2.942 4.597 597 HA VAL 76 HA VAL 76 2.383 1.549 6.729 598 HB VAL 76 HB VAL 76 1.444 -0.251 5.437 599 1HG1 VAL 76 1HG1 VAL 76 1.975 -0.478 3.012 600 2HG1 VAL 76 2HG1 VAL 76 2.606 1.168 3.046 601 3HG1 VAL 76 3HG1 VAL 76 0.902 0.869 3.392 602 1HG2 VAL 76 1HG2 VAL 76 4.162 -0.292 4.283 603 2HG2 VAL 76 2HG2 VAL 76 3.342 -1.476 5.301 604 3HG2 VAL 76 3HG2 VAL 76 4.065 -0.039 6.027 605 H ASP 77 H ASP 77 4.597 1.711 6.673 606 HA ASP 77 HA ASP 77 5.675 3.714 4.819 607 1HB ASP 77 2HB ASP 77 7.170 2.654 7.195 608 2HB ASP 77 1HB ASP 77 7.340 4.205 6.388 609 H ILE 78 H ILE 78 7.054 3.115 3.272 610 HA ILE 78 HA ILE 78 8.380 0.500 3.489 611 HB ILE 78 HB ILE 78 7.415 1.278 0.797 612 1HG1 ILE 78 2HG1 ILE 78 5.212 0.038 1.344 613 2HG1 ILE 78 1HG1 ILE 78 5.584 0.403 3.028 614 1HG2 ILE 78 1HG2 ILE 78 8.589 -0.708 0.795 615 2HG2 ILE 78 2HG2 ILE 78 6.918 -1.267 0.877 616 3HG2 ILE 78 3HG2 ILE 78 7.909 -1.233 2.336 617 1HD1 ILE 78 1HD1 ILE 78 5.667 2.665 1.134 618 2HD1 ILE 78 2HD1 ILE 78 5.108 2.587 2.804 619 3HD1 ILE 78 3HD1 ILE 78 4.086 1.980 1.505 620 H GLU 79 H GLU 79 10.403 0.362 2.517 621 HA GLU 79 HA GLU 79 11.511 2.943 1.678 622 1HB GLU 79 2HB GLU 79 12.489 0.897 3.325 623 2HB GLU 79 1HB GLU 79 13.437 0.786 1.848 624 1HG GLU 79 2HG GLU 79 14.378 2.855 2.129 625 2HG GLU 79 1HG GLU 79 13.040 3.447 3.112 626 H THR 80 H THR 80 11.541 3.325 -0.419 627 HA THR 80 HA THR 80 12.315 1.183 -2.264 628 HB THR 80 HB THR 80 10.544 2.365 -3.857 629 HG1 THR 80 1HG THR 80 9.253 2.547 -1.329 630 1HG2 THR 80 1HG2 THR 80 10.714 -0.073 -2.756 631 2HG2 THR 80 2HG2 THR 80 9.323 0.445 -3.710 632 3HG2 THR 80 3HG2 THR 80 9.253 0.496 -1.948 633 H GLU 81 H GLU 81 13.093 1.983 -4.339 634 HA GLU 81 HA GLU 81 14.889 4.095 -4.107 635 1HB GLU 81 2HB GLU 81 13.856 2.417 -6.306 636 2HB GLU 81 1HB GLU 81 14.521 3.968 -6.798 637 1HG GLU 81 2HG GLU 81 16.524 3.261 -5.280 638 2HG GLU 81 1HG GLU 81 15.876 1.641 -5.532 639 H ALA 82 H ALA 82 14.930 6.182 -5.070 640 HA ALA 82 HA ALA 82 12.929 7.898 -4.515 641 1HB ALA 82 1HB ALA 82 15.168 8.583 -5.237 642 2HB ALA 82 2HB ALA 82 13.903 9.472 -6.086 643 3HB ALA 82 3HB ALA 82 14.755 8.159 -6.898 644 H LEU 83 H LEU 83 10.851 7.797 -5.019 645 HA LEU 83 HA LEU 83 10.117 7.280 -7.823 646 1HB LEU 83 2HB LEU 83 9.347 5.879 -5.494 647 2HB LEU 83 1HB LEU 83 7.937 6.773 -6.030 648 HG LEU 83 HG LEU 83 8.597 5.729 -8.376 649 1HD1 LEU 83 1HD1 LEU 83 10.302 4.344 -6.503 650 2HD1 LEU 83 2HD1 LEU 83 10.276 4.274 -8.265 651 3HD1 LEU 83 3HD1 LEU 83 9.213 3.227 -7.325 652 1HD2 LEU 83 1HD2 LEU 83 6.458 5.378 -7.413 653 2HD2 LEU 83 2HD2 LEU 83 7.126 4.374 -6.126 654 3HD2 LEU 83 3HD2 LEU 83 7.112 3.784 -7.788 655 H LYS 84 H LYS 84 8.848 8.725 -8.815 656 HA LYS 84 HA LYS 84 8.471 11.281 -7.715 657 1HB LYS 84 2HB LYS 84 8.506 10.379 -10.212 658 2HB LYS 84 1HB LYS 84 6.763 10.381 -9.985 659 1HG LYS 84 2HG LYS 84 7.399 12.839 -9.048 660 2HG LYS 84 1HG LYS 84 8.632 12.619 -10.292 661 1HD LYS 84 2HD LYS 84 5.898 11.839 -11.059 662 2HD LYS 84 1HD LYS 84 6.146 13.563 -10.774 663 1HE LYS 84 2HE LYS 84 7.881 11.883 -12.576 664 2HE LYS 84 1HE LYS 84 6.505 12.831 -13.139 665 1HZ LYS 84 1HZ LYS 84 7.747 14.648 -13.154 666 2HZ LYS 84 2HZ LYS 84 9.101 13.700 -12.799 667 3HZ LYS 84 3HZ LYS 84 8.224 14.423 -11.547 668 H ASP 85 H ASP 85 6.542 8.427 -7.573 669 HA ASP 85 HA ASP 85 3.967 9.253 -7.337 670 1HB ASP 85 2HB ASP 85 5.264 6.932 -6.801 671 2HB ASP 85 1HB ASP 85 4.798 7.423 -5.175 672 H LEU 86 H LEU 86 6.366 9.333 -4.703 673 HA LEU 86 HA LEU 86 4.555 11.127 -3.235 674 1HB LEU 86 2HB LEU 86 6.879 9.686 -2.002 675 2HB LEU 86 1HB LEU 86 5.496 10.411 -1.207 676 HG LEU 86 HG LEU 86 4.176 8.570 -2.587 677 1HD1 LEU 86 1HD1 LEU 86 5.327 6.791 -3.326 678 2HD1 LEU 86 2HD1 LEU 86 6.491 6.860 -2.003 679 3HD1 LEU 86 3HD1 LEU 86 6.674 7.928 -3.395 680 1HD2 LEU 86 1HD2 LEU 86 3.731 8.012 -0.486 681 2HD2 LEU 86 2HD2 LEU 86 5.209 8.798 0.069 682 3HD2 LEU 86 3HD2 LEU 86 5.242 7.105 -0.424 683 H GLU 87 H GLU 87 7.619 10.853 -4.762 684 HA GLU 87 HA GLU 87 8.283 13.568 -3.848 685 1HB GLU 87 2HB GLU 87 10.418 11.578 -4.518 686 2HB GLU 87 1HB GLU 87 10.527 13.029 -3.531 687 1HG GLU 87 2HG GLU 87 9.133 11.905 -1.818 688 2HG GLU 87 1HG GLU 87 9.187 10.436 -2.794 Start of MODEL 12 1 1H MET 1 1HT MET 1 16.735 8.597 0.898 2 2H MET 1 2HT MET 1 17.665 9.805 0.166 3 3H MET 1 3HT MET 1 16.930 10.094 1.661 4 HA MET 1 HA MET 1 18.866 7.901 1.354 5 1HB MET 1 2HB MET 1 19.357 10.837 1.408 6 2HB MET 1 1HB MET 1 20.428 9.824 2.367 7 1HG MET 1 2HG MET 1 20.142 8.655 -0.211 8 2HG MET 1 1HG MET 1 20.524 10.365 -0.402 9 1HE MET 1 1HE MET 1 23.193 6.970 0.521 10 2HE MET 1 2HE MET 1 21.447 6.985 0.268 11 3HE MET 1 3HE MET 1 22.104 7.165 1.895 12 H GLY 2 H GLY 2 17.123 7.177 2.949 13 1HA GLY 2 2HA GLY 2 17.503 6.493 5.286 14 2HA GLY 2 1HA GLY 2 17.841 8.179 5.636 15 H GLN 3 H GLN 3 15.366 8.361 3.527 16 HA GLN 3 HA GLN 3 13.392 8.407 5.703 17 1HB GLN 3 2HB GLN 3 12.112 9.952 4.269 18 2HB GLN 3 1HB GLN 3 13.720 10.562 4.633 19 1HG GLN 3 2HG GLN 3 14.500 10.105 2.465 20 2HG GLN 3 1HG GLN 3 13.107 9.090 2.093 21 1HE2 GLN 3 1HE2 GLN 3 11.362 9.989 1.194 22 2HE2 GLN 3 2HE2 GLN 3 11.151 11.681 0.916 23 H VAL 4 H VAL 4 11.250 7.643 5.305 24 HA VAL 4 HA VAL 4 11.183 5.525 3.267 25 HB VAL 4 HB VAL 4 9.329 4.538 4.655 26 1HG1 VAL 4 1HG1 VAL 4 11.076 4.037 6.625 27 2HG1 VAL 4 2HG1 VAL 4 12.172 4.713 5.421 28 3HG1 VAL 4 3HG1 VAL 4 11.182 3.308 5.022 29 1HG2 VAL 4 1HG2 VAL 4 8.759 6.624 5.861 30 2HG2 VAL 4 2HG2 VAL 4 10.282 6.495 6.742 31 3HG2 VAL 4 3HG2 VAL 4 9.043 5.255 6.936 32 H VAL 5 H VAL 5 9.486 5.302 1.904 33 HA VAL 5 HA VAL 5 7.709 7.618 1.642 34 HB VAL 5 HB VAL 5 7.275 6.831 -0.628 35 1HG1 VAL 5 1HG1 VAL 5 10.041 6.606 -1.053 36 2HG1 VAL 5 2HG1 VAL 5 9.844 7.626 0.371 37 3HG1 VAL 5 3HG1 VAL 5 9.051 8.063 -1.142 38 1HG2 VAL 5 1HG2 VAL 5 7.499 4.388 -0.042 39 2HG2 VAL 5 2HG2 VAL 5 9.247 4.606 -0.130 40 3HG2 VAL 5 3HG2 VAL 5 8.252 4.872 -1.562 41 H GLN 6 H GLN 6 5.508 7.407 1.801 42 HA GLN 6 HA GLN 6 4.564 4.756 2.633 43 1HB GLN 6 2HB GLN 6 4.218 6.190 4.452 44 2HB GLN 6 1HB GLN 6 3.738 7.533 3.428 45 1HG GLN 6 2HG GLN 6 2.037 5.123 3.395 46 2HG GLN 6 1HG GLN 6 2.018 6.124 4.842 47 1HE2 GLN 6 1HE2 GLN 6 2.276 8.631 3.894 48 2HE2 GLN 6 2HE2 GLN 6 0.967 9.038 2.846 49 H PHE 7 H PHE 7 2.654 3.915 1.933 50 HA PHE 7 HA PHE 7 1.490 5.134 -0.476 51 1HB PHE 7 2HB PHE 7 2.386 3.040 -1.134 52 2HB PHE 7 1HB PHE 7 1.865 2.252 0.352 53 HD1 PHE 7 1HD PHE 7 0.763 3.537 -2.913 54 HD2 PHE 7 2HD PHE 7 -0.329 1.368 0.579 55 HE1 PHE 7 1HE PHE 7 -1.286 2.770 -4.035 56 HE2 PHE 7 2HE PHE 7 -2.377 0.594 -0.535 57 HZ PHE 7 HZ PHE 7 -2.860 1.295 -2.849 58 H LYS 8 H LYS 8 -0.604 5.750 -0.342 59 HA LYS 8 HA LYS 8 -2.133 4.874 2.023 60 1HB LYS 8 2HB LYS 8 -3.368 7.020 1.828 61 2HB LYS 8 1HB LYS 8 -1.656 7.250 2.153 62 1HG LYS 8 2HG LYS 8 -2.344 7.226 -0.692 63 2HG LYS 8 1HG LYS 8 -3.075 8.542 0.231 64 1HD LYS 8 2HD LYS 8 -0.165 7.910 0.539 65 2HD LYS 8 1HD LYS 8 -0.727 8.878 -0.826 66 1HE LYS 8 2HE LYS 8 -1.442 9.532 2.022 67 2HE LYS 8 1HE LYS 8 0.026 10.138 1.252 68 1HZ LYS 8 1HZ LYS 8 -2.475 11.263 1.136 69 2HZ LYS 8 2HZ LYS 8 -2.258 10.567 -0.390 70 3HZ LYS 8 3HZ LYS 8 -1.133 11.687 0.195 71 H LEU 9 H LEU 9 -4.195 4.120 1.765 72 HA LEU 9 HA LEU 9 -5.016 2.807 -0.481 73 1HB LEU 9 2HB LEU 9 -6.042 2.582 1.735 74 2HB LEU 9 1HB LEU 9 -6.771 4.164 1.575 75 HG LEU 9 HG LEU 9 -8.416 2.401 1.247 76 1HD1 LEU 9 1HD1 LEU 9 -9.526 3.344 -0.498 77 2HD1 LEU 9 2HD1 LEU 9 -8.080 3.465 -1.500 78 3HD1 LEU 9 3HD1 LEU 9 -8.326 4.594 -0.168 79 1HD2 LEU 9 1HD2 LEU 9 -6.354 1.145 -0.224 80 2HD2 LEU 9 2HD2 LEU 9 -7.742 1.380 -1.290 81 3HD2 LEU 9 3HD2 LEU 9 -7.940 0.516 0.239 82 H SER 10 H SER 10 -5.626 3.394 -2.464 83 HA SER 10 HA SER 10 -6.805 6.066 -2.843 84 1HB SER 10 2HB SER 10 -4.570 4.743 -4.344 85 2HB SER 10 1HB SER 10 -5.611 5.904 -5.165 86 HG SER 10 HG SER 10 -4.862 7.490 -3.917 87 H ASP 11 H ASP 11 -7.624 6.129 -5.297 88 HA ASP 11 HA ASP 11 -8.929 5.257 -6.979 89 1HB ASP 11 2HB ASP 11 -7.869 2.923 -6.039 90 2HB ASP 11 1HB ASP 11 -9.583 2.680 -5.718 91 H ILE 12 H ILE 12 -9.726 5.166 -3.624 92 HA ILE 12 HA ILE 12 -12.584 5.047 -4.167 93 HB ILE 12 HB ILE 12 -10.906 4.839 -1.699 94 1HG1 ILE 12 2HG1 ILE 12 -12.519 2.922 -1.330 95 2HG1 ILE 12 1HG1 ILE 12 -13.161 3.272 -2.932 96 1HG2 ILE 12 1HG2 ILE 12 -12.561 6.523 -1.068 97 2HG2 ILE 12 2HG2 ILE 12 -12.855 4.994 -0.242 98 3HG2 ILE 12 3HG2 ILE 12 -13.854 5.458 -1.617 99 1HD1 ILE 12 1HD1 ILE 12 -10.811 2.955 -3.799 100 2HD1 ILE 12 2HD1 ILE 12 -11.619 1.509 -3.194 101 3HD1 ILE 12 3HD1 ILE 12 -10.404 2.321 -2.203 102 H GLY 13 H GLY 13 -13.998 6.684 -3.121 103 1HA GLY 13 2HA GLY 13 -13.046 9.336 -3.802 104 2HA GLY 13 1HA GLY 13 -14.695 8.890 -3.397 105 H GLU 14 H GLU 14 -13.815 11.181 -2.381 106 HA GLU 14 HA GLU 14 -12.395 11.245 -0.030 107 1HB GLU 14 2HB GLU 14 -13.287 13.225 -1.239 108 2HB GLU 14 1HB GLU 14 -14.888 12.846 -0.618 109 1HG GLU 14 2HG GLU 14 -14.343 13.449 1.539 110 2HG GLU 14 1HG GLU 14 -12.614 13.227 1.274 111 H GLY 15 H GLY 15 -15.967 11.051 -0.197 112 1HA GLY 15 2HA GLY 15 -15.860 9.531 2.333 113 2HA GLY 15 1HA GLY 15 -17.040 10.801 2.066 114 H ILE 16 H ILE 16 -15.906 7.795 0.509 115 HA ILE 16 HA ILE 16 -18.719 7.022 0.183 116 HB ILE 16 HB ILE 16 -18.334 6.166 -2.027 117 1HG1 ILE 16 2HG1 ILE 16 -15.594 7.344 -2.206 118 2HG1 ILE 16 1HG1 ILE 16 -15.770 5.770 -1.439 119 1HG2 ILE 16 1HG2 ILE 16 -18.238 8.173 -3.225 120 2HG2 ILE 16 2HG2 ILE 16 -17.148 8.917 -2.055 121 3HG2 ILE 16 3HG2 ILE 16 -18.834 8.625 -1.628 122 1HD1 ILE 16 1HD1 ILE 16 -17.150 5.259 -3.629 123 2HD1 ILE 16 2HD1 ILE 16 -15.392 5.114 -3.571 124 3HD1 ILE 16 3HD1 ILE 16 -16.137 6.555 -4.268 125 H ARG 17 H ARG 17 -18.352 4.559 -0.986 126 HA ARG 17 HA ARG 17 -17.729 2.917 1.175 127 1HB ARG 17 2HB ARG 17 -17.826 2.316 -1.785 128 2HB ARG 17 1HB ARG 17 -17.642 1.077 -0.551 129 1HG ARG 17 2HG ARG 17 -19.795 1.416 0.283 130 2HG ARG 17 1HG ARG 17 -19.950 2.988 -0.506 131 1HD ARG 17 2HD ARG 17 -19.455 1.116 -2.546 132 2HD ARG 17 1HD ARG 17 -20.657 0.385 -1.484 133 HE ARG 17 HE ARG 17 -21.627 2.872 -1.851 134 1HH1 ARG 17 1HH1 ARG 17 -20.504 0.420 -4.057 135 2HH1 ARG 17 2HH1 ARG 17 -21.558 0.911 -5.342 136 1HH2 ARG 17 1HH2 ARG 17 -23.017 3.525 -3.538 137 2HH2 ARG 17 2HH2 ARG 17 -22.984 2.676 -5.047 138 H GLU 18 H GLU 18 -15.928 1.717 1.732 139 HA GLU 18 HA GLU 18 -13.412 2.671 0.574 140 1HB GLU 18 2HB GLU 18 -14.147 1.443 3.211 141 2HB GLU 18 1HB GLU 18 -12.473 1.463 2.667 142 1HG GLU 18 2HG GLU 18 -12.528 3.395 3.862 143 2HG GLU 18 1HG GLU 18 -12.977 4.009 2.271 144 H VAL 19 H VAL 19 -11.584 0.891 0.706 145 HA VAL 19 HA VAL 19 -12.760 -1.558 -0.465 146 HB VAL 19 HB VAL 19 -11.676 -0.145 -2.167 147 1HG1 VAL 19 1HG1 VAL 19 -9.931 0.760 -0.610 148 2HG1 VAL 19 2HG1 VAL 19 -9.333 0.243 -2.187 149 3HG1 VAL 19 3HG1 VAL 19 -9.088 -0.781 -0.772 150 1HG2 VAL 19 1HG2 VAL 19 -11.811 -2.598 -2.397 151 2HG2 VAL 19 2HG2 VAL 19 -10.213 -2.733 -1.662 152 3HG2 VAL 19 3HG2 VAL 19 -10.405 -1.915 -3.213 153 H THR 20 H THR 20 -11.813 -3.526 -0.087 154 HA THR 20 HA THR 20 -10.136 -3.652 2.311 155 HB THR 20 HB THR 20 -11.215 -6.115 1.030 156 HG1 THR 20 1HG THR 20 -13.047 -4.856 0.948 157 1HG2 THR 20 1HG2 THR 20 -11.454 -6.862 3.305 158 2HG2 THR 20 2HG2 THR 20 -11.114 -5.245 3.917 159 3HG2 THR 20 3HG2 THR 20 -9.849 -6.162 3.102 160 H VAL 21 H VAL 21 -8.361 -5.121 2.411 161 HA VAL 21 HA VAL 21 -6.776 -5.095 -0.003 162 HB VAL 21 HB VAL 21 -6.164 -6.267 2.717 163 1HG1 VAL 21 1HG1 VAL 21 -3.763 -5.739 1.547 164 2HG1 VAL 21 2HG1 VAL 21 -4.713 -6.305 0.173 165 3HG1 VAL 21 3HG1 VAL 21 -4.534 -7.324 1.600 166 1HG2 VAL 21 1HG2 VAL 21 -5.576 -3.601 1.462 167 2HG2 VAL 21 2HG2 VAL 21 -4.646 -4.227 2.825 168 3HG2 VAL 21 3HG2 VAL 21 -6.378 -3.942 2.995 169 H LYS 22 H LYS 22 -6.593 -6.712 -1.436 170 HA LYS 22 HA LYS 22 -7.898 -9.254 -0.815 171 1HB LYS 22 2HB LYS 22 -8.288 -7.772 -2.956 172 2HB LYS 22 1HB LYS 22 -6.838 -8.583 -3.530 173 1HG LYS 22 2HG LYS 22 -8.303 -10.088 -4.315 174 2HG LYS 22 1HG LYS 22 -8.259 -10.703 -2.661 175 1HD LYS 22 2HD LYS 22 -10.236 -9.426 -2.096 176 2HD LYS 22 1HD LYS 22 -10.249 -8.685 -3.697 177 1HE LYS 22 2HE LYS 22 -10.305 -11.655 -3.505 178 2HE LYS 22 1HE LYS 22 -11.776 -10.761 -3.121 179 1HZ LYS 22 1HZ LYS 22 -11.419 -11.506 -5.519 180 2HZ LYS 22 2HZ LYS 22 -10.292 -10.249 -5.621 181 3HZ LYS 22 3HZ LYS 22 -11.908 -9.907 -5.262 182 H GLU 23 H GLU 23 -4.775 -7.871 -1.403 183 HA GLU 23 HA GLU 23 -3.580 -10.503 -0.958 184 1HB GLU 23 2HB GLU 23 -3.652 -9.423 -3.476 185 2HB GLU 23 1HB GLU 23 -2.084 -8.884 -2.889 186 1HG GLU 23 2HG GLU 23 -1.517 -10.880 -3.834 187 2HG GLU 23 1HG GLU 23 -1.833 -11.389 -2.176 188 H TRP 24 H TRP 24 -1.994 -10.485 0.469 189 HA TRP 24 HA TRP 24 -0.576 -7.971 1.041 190 1HB TRP 24 2HB TRP 24 -2.140 -9.690 2.884 191 2HB TRP 24 1HB TRP 24 -0.579 -9.154 3.490 192 HD1 TRP 24 HD TRP 24 -3.954 -8.175 3.811 193 HE1 TRP 24 1HE TRP 24 -4.242 -5.648 4.204 194 HE3 TRP 24 3HE TRP 24 0.670 -6.597 2.322 195 HZ2 TRP 24 2HZ TRP 24 -2.706 -3.296 3.924 196 HZ3 TRP 24 3HZ TRP 24 1.182 -4.195 2.415 197 HH2 TRP 24 HH TRP 24 -0.471 -2.578 3.198 198 H TYR 25 H TYR 25 1.519 -8.295 0.566 199 HA TYR 25 HA TYR 25 2.608 -11.005 0.999 200 1HB TYR 25 2HB TYR 25 2.774 -9.157 -1.259 201 2HB TYR 25 1HB TYR 25 4.338 -9.798 -0.769 202 HD1 TYR 25 1HD TYR 25 2.150 -10.254 -3.196 203 HD2 TYR 25 2HD TYR 25 3.741 -12.522 0.032 204 HE1 TYR 25 1HE TYR 25 1.678 -12.328 -4.430 205 HE2 TYR 25 2HE TYR 25 3.273 -14.603 -1.192 206 HH TYR 25 HH TYR 25 1.517 -14.591 -4.242 207 H VAL 26 H VAL 26 2.598 -8.511 2.801 208 HA VAL 26 HA VAL 26 5.270 -8.888 3.774 209 HB VAL 26 HB VAL 26 5.771 -6.363 3.676 210 1HG1 VAL 26 1HG1 VAL 26 6.694 -8.392 2.247 211 2HG1 VAL 26 2HG1 VAL 26 7.163 -6.726 1.913 212 3HG1 VAL 26 3HG1 VAL 26 5.911 -7.501 0.942 213 1HG2 VAL 26 1HG2 VAL 26 4.804 -5.362 1.538 214 2HG2 VAL 26 2HG2 VAL 26 3.746 -5.444 2.947 215 3HG2 VAL 26 3HG2 VAL 26 3.579 -6.625 1.648 216 H LYS 27 H LYS 27 5.701 -7.529 5.724 217 HA LYS 27 HA LYS 27 3.356 -6.397 7.013 218 1HB LYS 27 2HB LYS 27 4.195 -9.070 7.505 219 2HB LYS 27 1HB LYS 27 4.548 -8.121 8.941 220 1HG LYS 27 2HG LYS 27 2.272 -7.469 9.168 221 2HG LYS 27 1HG LYS 27 1.863 -8.142 7.587 222 1HD LYS 27 2HD LYS 27 1.851 -10.291 8.353 223 2HD LYS 27 1HD LYS 27 3.073 -9.973 9.585 224 1HE LYS 27 2HE LYS 27 1.251 -8.570 10.735 225 2HE LYS 27 1HE LYS 27 0.128 -9.410 9.665 226 1HZ LYS 27 1HZ LYS 27 0.691 -10.351 12.019 227 2HZ LYS 27 2HZ LYS 27 2.035 -11.001 11.225 228 3HZ LYS 27 3HZ LYS 27 0.475 -11.397 10.706 229 H GLU 28 H GLU 28 3.933 -5.642 9.254 230 HA GLU 28 HA GLU 28 5.722 -3.614 9.281 231 1HB GLU 28 2HB GLU 28 5.727 -4.982 11.886 232 2HB GLU 28 1HB GLU 28 5.247 -3.347 11.484 233 1HG GLU 28 2HG GLU 28 3.128 -4.460 10.521 234 2HG GLU 28 1HG GLU 28 3.614 -5.841 11.498 235 H GLY 29 H GLY 29 7.883 -3.272 9.522 236 1HA GLY 29 2HA GLY 29 10.117 -3.708 9.834 237 2HA GLY 29 1HA GLY 29 9.636 -5.091 10.799 238 H ASP 30 H ASP 30 8.251 -5.383 7.768 239 HA ASP 30 HA ASP 30 10.345 -7.302 7.022 240 1HB ASP 30 2HB ASP 30 7.522 -7.048 5.980 241 2HB ASP 30 1HB ASP 30 8.671 -8.297 5.525 242 H THR 31 H THR 31 11.088 -7.486 4.871 243 HA THR 31 HA THR 31 11.115 -4.911 3.474 244 HB THR 31 HB THR 31 12.927 -7.287 3.020 245 HG1 THR 31 1HG THR 31 13.632 -4.900 4.378 246 1HG2 THR 31 1HG2 THR 31 14.153 -5.965 1.585 247 2HG2 THR 31 2HG2 THR 31 13.578 -4.461 2.308 248 3HG2 THR 31 3HG2 THR 31 12.518 -5.393 1.250 249 H VAL 32 H VAL 32 10.525 -4.701 1.368 250 HA VAL 32 HA VAL 32 9.011 -6.924 0.220 251 HB VAL 32 HB VAL 32 8.695 -4.603 -1.385 252 1HG1 VAL 32 1HG1 VAL 32 7.166 -6.606 -0.627 253 2HG1 VAL 32 2HG1 VAL 32 6.480 -5.071 -1.158 254 3HG1 VAL 32 3HG1 VAL 32 6.621 -5.428 0.563 255 1HG2 VAL 32 1HG2 VAL 32 9.315 -3.073 0.266 256 2HG2 VAL 32 2HG2 VAL 32 8.573 -4.022 1.553 257 3HG2 VAL 32 3HG2 VAL 32 7.560 -3.158 0.403 258 H SER 33 H SER 33 9.070 -6.997 -2.247 259 HA SER 33 HA SER 33 11.741 -6.380 -3.291 260 1HB SER 33 2HB SER 33 10.906 -8.968 -2.553 261 2HB SER 33 1HB SER 33 10.843 -8.923 -4.315 262 HG SER 33 HG SER 33 13.044 -7.924 -4.068 263 H GLN 34 H GLN 34 11.729 -7.117 -5.758 264 HA GLN 34 HA GLN 34 9.971 -5.402 -7.097 265 1HB GLN 34 2HB GLN 34 12.252 -6.657 -7.782 266 2HB GLN 34 1HB GLN 34 11.099 -7.686 -8.618 267 1HG GLN 34 2HG GLN 34 10.184 -5.670 -9.730 268 2HG GLN 34 1HG GLN 34 11.458 -4.719 -8.969 269 1HE2 GLN 34 1HE2 GLN 34 12.775 -4.164 -10.567 270 2HE2 GLN 34 2HE2 GLN 34 13.489 -5.249 -11.706 271 H PHE 35 H PHE 35 9.887 -8.915 -6.667 272 HA PHE 35 HA PHE 35 7.337 -9.091 -8.060 273 1HB PHE 35 2HB PHE 35 9.026 -10.823 -8.472 274 2HB PHE 35 1HB PHE 35 9.026 -11.239 -6.762 275 HD1 PHE 35 1HD PHE 35 6.242 -10.582 -9.151 276 HD2 PHE 35 2HD PHE 35 8.147 -13.352 -6.541 277 HE1 PHE 35 1HE PHE 35 4.428 -12.196 -9.547 278 HE2 PHE 35 2HE PHE 35 6.337 -14.972 -6.935 279 HZ PHE 35 HZ PHE 35 4.474 -14.395 -8.438 280 H ASP 36 H ASP 36 8.528 -8.804 -4.853 281 HA ASP 36 HA ASP 36 6.154 -9.946 -3.638 282 1HB ASP 36 2HB ASP 36 8.800 -9.024 -2.697 283 2HB ASP 36 1HB ASP 36 7.467 -8.790 -1.570 284 H SER 37 H SER 37 4.533 -8.555 -4.416 285 HA SER 37 HA SER 37 4.585 -5.748 -4.180 286 1HB SER 37 2HB SER 37 2.357 -7.759 -4.455 287 2HB SER 37 1HB SER 37 2.015 -6.039 -4.266 288 HG SER 37 HG SER 37 2.195 -6.813 -6.480 289 H ILE 38 H ILE 38 3.263 -4.425 -2.705 290 HA ILE 38 HA ILE 38 3.541 -5.425 0.012 291 HB ILE 38 HB ILE 38 2.880 -2.657 -0.996 292 1HG1 ILE 38 2HG1 ILE 38 5.381 -3.743 0.308 293 2HG1 ILE 38 1HG1 ILE 38 5.193 -3.452 -1.419 294 1HG2 ILE 38 1HG2 ILE 38 1.844 -2.888 1.145 295 2HG2 ILE 38 2HG2 ILE 38 3.328 -1.965 1.372 296 3HG2 ILE 38 3HG2 ILE 38 3.273 -3.672 1.821 297 1HD1 ILE 38 1HD1 ILE 38 5.307 -1.188 -1.187 298 2HD1 ILE 38 2HD1 ILE 38 6.342 -1.696 0.148 299 3HD1 ILE 38 3HD1 ILE 38 4.675 -1.215 0.459 300 H CYS 39 H CYS 39 1.064 -3.220 -1.216 301 HA CYS 39 HA CYS 39 -0.967 -4.946 0.028 302 1HB CYS 39 2HB CYS 39 -0.585 -2.609 0.964 303 2HB CYS 39 1HB CYS 39 -1.252 -1.998 -0.546 304 HG CYS 39 HG CYS 39 -3.780 -2.918 -0.186 305 H GLU 40 H GLU 40 -2.793 -5.482 -1.079 306 HA GLU 40 HA GLU 40 -3.079 -4.500 -3.832 307 1HB GLU 40 2HB GLU 40 -2.058 -6.965 -3.329 308 2HB GLU 40 1HB GLU 40 -3.775 -7.338 -3.378 309 1HG GLU 40 2HG GLU 40 -3.862 -6.181 -5.601 310 2HG GLU 40 1HG GLU 40 -2.102 -6.102 -5.546 311 H VAL 41 H VAL 41 -5.093 -3.796 -4.222 312 HA VAL 41 HA VAL 41 -7.283 -4.896 -2.588 313 HB VAL 41 HB VAL 41 -8.314 -2.681 -2.467 314 1HG1 VAL 41 1HG1 VAL 41 -5.573 -3.107 -1.359 315 2HG1 VAL 41 2HG1 VAL 41 -7.132 -3.111 -0.534 316 3HG1 VAL 41 3HG1 VAL 41 -6.415 -1.587 -1.057 317 1HG2 VAL 41 1HG2 VAL 41 -7.600 -0.870 -3.582 318 2HG2 VAL 41 2HG2 VAL 41 -6.714 -2.027 -4.576 319 3HG2 VAL 41 3HG2 VAL 41 -5.903 -1.209 -3.240 320 H GLN 42 H GLN 42 -9.276 -5.094 -3.566 321 HA GLN 42 HA GLN 42 -9.429 -4.406 -6.421 322 1HB GLN 42 2HB GLN 42 -10.130 -7.056 -5.152 323 2HB GLN 42 1HB GLN 42 -10.635 -6.593 -6.772 324 1HG GLN 42 2HG GLN 42 -8.049 -6.154 -7.069 325 2HG GLN 42 1HG GLN 42 -7.945 -7.324 -5.754 326 1HE2 GLN 42 1HE2 GLN 42 -7.179 -7.450 -8.624 327 2HE2 GLN 42 2HE2 GLN 42 -7.965 -8.861 -9.238 328 H SER 43 H SER 43 -11.160 -3.220 -6.850 329 HA SER 43 HA SER 43 -13.516 -3.493 -5.100 330 1HB SER 43 2HB SER 43 -11.912 -1.185 -5.633 331 2HB SER 43 1HB SER 43 -13.521 -0.920 -6.302 332 HG SER 43 HG SER 43 -13.964 -0.421 -4.301 333 H ASP 44 H ASP 44 -15.574 -3.098 -6.067 334 HA ASP 44 HA ASP 44 -16.116 -4.403 -8.401 335 1HB ASP 44 2HB ASP 44 -17.550 -2.459 -6.726 336 2HB ASP 44 1HB ASP 44 -18.109 -2.525 -8.394 337 H LYS 45 H LYS 45 -15.550 -0.917 -8.035 338 HA LYS 45 HA LYS 45 -15.993 -0.166 -10.684 339 1HB LYS 45 2HB LYS 45 -15.158 1.095 -8.348 340 2HB LYS 45 1HB LYS 45 -13.810 1.312 -9.456 341 1HG LYS 45 2HG LYS 45 -15.387 2.242 -11.122 342 2HG LYS 45 1HG LYS 45 -16.672 2.122 -9.918 343 1HD LYS 45 2HD LYS 45 -15.787 4.378 -9.961 344 2HD LYS 45 1HD LYS 45 -15.382 3.601 -8.428 345 1HE LYS 45 2HE LYS 45 -13.170 3.648 -8.846 346 2HE LYS 45 1HE LYS 45 -13.384 3.262 -10.553 347 1HZ LYS 45 1HZ LYS 45 -12.867 5.758 -9.384 348 2HZ LYS 45 2HZ LYS 45 -14.389 5.830 -10.119 349 3HZ LYS 45 3HZ LYS 45 -13.034 5.380 -11.026 350 H ALA 46 H ALA 46 -12.776 -0.490 -9.178 351 HA ALA 46 HA ALA 46 -11.807 -1.918 -11.521 352 1HB ALA 46 1HB ALA 46 -11.359 0.229 -12.324 353 2HB ALA 46 2HB ALA 46 -9.827 -0.292 -11.622 354 3HB ALA 46 3HB ALA 46 -10.870 0.821 -10.736 355 H SER 47 H SER 47 -9.670 -2.837 -11.212 356 HA SER 47 HA SER 47 -9.090 -3.296 -8.364 357 1HB SER 47 2HB SER 47 -8.227 -5.441 -8.959 358 2HB SER 47 1HB SER 47 -9.745 -5.261 -9.836 359 HG SER 47 HG SER 47 -7.215 -5.553 -10.792 360 H VAL 48 H VAL 48 -7.165 -2.718 -7.537 361 HA VAL 48 HA VAL 48 -5.032 -1.956 -9.421 362 HB VAL 48 HB VAL 48 -5.438 -0.516 -6.816 363 1HG1 VAL 48 1HG1 VAL 48 -3.269 -0.293 -7.886 364 2HG1 VAL 48 2HG1 VAL 48 -4.147 1.234 -7.956 365 3HG1 VAL 48 3HG1 VAL 48 -4.041 0.211 -9.389 366 1HG2 VAL 48 1HG2 VAL 48 -6.732 1.171 -7.879 367 2HG2 VAL 48 2HG2 VAL 48 -7.502 -0.371 -8.254 368 3HG2 VAL 48 3HG2 VAL 48 -6.507 0.436 -9.467 369 H THR 49 H THR 49 -3.097 -2.795 -9.037 370 HA THR 49 HA THR 49 -2.652 -4.163 -6.467 371 HB THR 49 HB THR 49 -1.133 -5.669 -7.598 372 HG1 THR 49 1HG THR 49 -1.538 -3.892 -9.752 373 1HG2 THR 49 1HG2 THR 49 -3.254 -6.587 -7.711 374 2HG2 THR 49 2HG2 THR 49 -2.792 -6.556 -9.413 375 3HG2 THR 49 3HG2 THR 49 -3.862 -5.312 -8.768 376 H ILE 50 H ILE 50 -0.963 -3.542 -5.235 377 HA ILE 50 HA ILE 50 0.689 -1.359 -6.267 378 HB ILE 50 HB ILE 50 0.558 -2.285 -3.409 379 1HG1 ILE 50 2HG1 ILE 50 -1.722 -1.791 -4.166 380 2HG1 ILE 50 1HG1 ILE 50 -1.154 -0.557 -3.046 381 1HG2 ILE 50 1HG2 ILE 50 0.941 0.545 -4.021 382 2HG2 ILE 50 2HG2 ILE 50 2.217 -0.498 -4.649 383 3HG2 ILE 50 3HG2 ILE 50 1.835 -0.512 -2.927 384 1HD1 ILE 50 1HD1 ILE 50 -2.386 0.387 -4.935 385 2HD1 ILE 50 2HD1 ILE 50 -1.198 -0.299 -6.044 386 3HD1 ILE 50 3HD1 ILE 50 -0.714 0.946 -4.892 387 H THR 51 H THR 51 2.493 -2.020 -7.212 388 HA THR 51 HA THR 51 3.995 -4.273 -6.105 389 HB THR 51 HB THR 51 5.110 -2.930 -8.469 390 HG1 THR 51 1HG THR 51 3.038 -2.667 -9.153 391 1HG2 THR 51 1HG2 THR 51 5.582 -5.263 -7.347 392 2HG2 THR 51 2HG2 THR 51 5.673 -5.071 -9.098 393 3HG2 THR 51 3HG2 THR 51 4.235 -5.779 -8.362 394 H SER 52 H SER 52 6.557 -3.782 -6.513 395 HA SER 52 HA SER 52 7.054 -1.245 -5.096 396 1HB SER 52 2HB SER 52 7.389 -3.226 -3.663 397 2HB SER 52 1HB SER 52 8.583 -3.838 -4.806 398 HG SER 52 HG SER 52 8.788 -1.325 -3.509 399 H ARG 53 H ARG 53 8.147 -3.416 -7.620 400 HA ARG 53 HA ARG 53 9.644 -3.177 -9.318 401 1HB ARG 53 2HB ARG 53 10.169 -0.326 -9.135 402 2HB ARG 53 1HB ARG 53 9.472 -1.252 -10.451 403 1HG ARG 53 2HG ARG 53 8.034 -0.010 -8.117 404 2HG ARG 53 1HG ARG 53 7.913 0.415 -9.822 405 1HD ARG 53 2HD ARG 53 7.281 -2.261 -9.804 406 2HD ARG 53 1HD ARG 53 6.544 -1.663 -8.317 407 HE ARG 53 HE ARG 53 5.713 0.160 -10.068 408 1HH1 ARG 53 1HH1 ARG 53 5.744 -3.324 -10.269 409 2HH1 ARG 53 2HH1 ARG 53 4.370 -3.399 -11.319 410 1HH2 ARG 53 1HH2 ARG 53 3.899 0.061 -11.439 411 2HH2 ARG 53 2HH2 ARG 53 3.320 -1.479 -11.979 412 H TYR 54 H TYR 54 10.459 -3.035 -6.290 413 HA TYR 54 HA TYR 54 13.215 -3.272 -6.639 414 1HB TYR 54 2HB TYR 54 12.201 -0.556 -6.034 415 2HB TYR 54 1HB TYR 54 13.515 -1.116 -5.005 416 HD1 TYR 54 1HD TYR 54 12.989 0.890 -7.646 417 HD2 TYR 54 2HD TYR 54 15.300 -2.548 -6.679 418 HE1 TYR 54 1HE TYR 54 14.605 1.492 -9.398 419 HE2 TYR 54 2HE TYR 54 16.924 -1.956 -8.427 420 HH TYR 54 HH TYR 54 16.574 1.008 -10.347 421 H ASP 55 H ASP 55 14.294 -3.212 -4.316 422 HA ASP 55 HA ASP 55 12.387 -4.586 -2.579 423 1HB ASP 55 2HB ASP 55 15.371 -4.410 -2.160 424 2HB ASP 55 1HB ASP 55 14.245 -5.579 -1.473 425 H GLY 56 H GLY 56 11.458 -3.499 -0.994 426 1HA GLY 56 2HA GLY 56 12.910 -1.190 0.139 427 2HA GLY 56 1HA GLY 56 11.177 -1.186 -0.135 428 H VAL 57 H VAL 57 12.193 -0.515 2.303 429 HA VAL 57 HA VAL 57 11.844 -2.896 3.991 430 HB VAL 57 HB VAL 57 12.805 -0.148 4.797 431 1HG1 VAL 57 1HG1 VAL 57 13.581 -1.333 6.833 432 2HG1 VAL 57 2HG1 VAL 57 12.732 -2.774 6.273 433 3HG1 VAL 57 3HG1 VAL 57 11.826 -1.310 6.659 434 1HG2 VAL 57 1HG2 VAL 57 14.954 -0.774 4.426 435 2HG2 VAL 57 2HG2 VAL 57 14.190 -1.788 3.201 436 3HG2 VAL 57 3HG2 VAL 57 14.632 -2.475 4.763 437 H ILE 58 H ILE 58 9.977 -3.258 4.968 438 HA ILE 58 HA ILE 58 8.002 -1.096 5.179 439 HB ILE 58 HB ILE 58 7.490 -4.020 5.670 440 1HG1 ILE 58 2HG1 ILE 58 7.648 -2.466 3.106 441 2HG1 ILE 58 1HG1 ILE 58 8.335 -4.040 3.484 442 1HG2 ILE 58 1HG2 ILE 58 5.353 -2.447 4.516 443 2HG2 ILE 58 2HG2 ILE 58 5.929 -1.748 6.030 444 3HG2 ILE 58 3HG2 ILE 58 5.365 -3.421 5.989 445 1HD1 ILE 58 1HD1 ILE 58 6.622 -4.950 2.440 446 2HD1 ILE 58 2HD1 ILE 58 5.826 -3.386 2.271 447 3HD1 ILE 58 3HD1 ILE 58 5.574 -4.354 3.725 448 H LYS 59 H LYS 59 7.427 -0.263 7.073 449 HA LYS 59 HA LYS 59 8.666 -1.379 9.473 450 1HB LYS 59 2HB LYS 59 8.865 1.071 8.762 451 2HB LYS 59 1HB LYS 59 7.199 1.239 9.301 452 1HG LYS 59 2HG LYS 59 8.296 0.041 11.458 453 2HG LYS 59 1HG LYS 59 9.674 0.966 10.857 454 1HD LYS 59 2HD LYS 59 8.785 2.901 11.536 455 2HD LYS 59 1HD LYS 59 7.213 2.510 10.836 456 1HE LYS 59 2HE LYS 59 7.037 0.899 12.889 457 2HE LYS 59 1HE LYS 59 8.267 1.960 13.575 458 1HZ LYS 59 1HZ LYS 59 5.476 2.554 12.886 459 2HZ LYS 59 2HZ LYS 59 6.614 3.803 12.815 460 3HZ LYS 59 3HZ LYS 59 6.356 2.977 14.268 461 H LYS 60 H LYS 60 5.418 -0.525 8.251 462 HA LYS 60 HA LYS 60 4.291 -2.435 10.048 463 1HB LYS 60 2HB LYS 60 3.325 -1.165 11.668 464 2HB LYS 60 1HB LYS 60 4.747 -0.187 11.351 465 1HG LYS 60 2HG LYS 60 1.926 0.306 10.440 466 2HG LYS 60 1HG LYS 60 2.910 1.289 11.525 467 1HD LYS 60 2HD LYS 60 4.315 0.992 9.072 468 2HD LYS 60 1HD LYS 60 2.658 1.472 8.703 469 1HE LYS 60 2HE LYS 60 4.379 2.870 10.741 470 2HE LYS 60 1HE LYS 60 4.284 3.361 9.052 471 1HZ LYS 60 1HZ LYS 60 2.578 4.611 9.702 472 2HZ LYS 60 2HZ LYS 60 2.427 3.815 11.187 473 3HZ LYS 60 3HZ LYS 60 1.683 3.178 9.808 474 H LEU 61 H LEU 61 2.248 -3.053 9.599 475 HA LEU 61 HA LEU 61 0.804 -1.679 7.441 476 1HB LEU 61 2HB LEU 61 0.976 -4.684 7.704 477 2HB LEU 61 1HB LEU 61 0.227 -3.776 6.410 478 HG LEU 61 HG LEU 61 3.076 -4.479 6.825 479 1HD1 LEU 61 1HD1 LEU 61 1.138 -5.140 5.028 480 2HD1 LEU 61 2HD1 LEU 61 2.874 -5.347 4.788 481 3HD1 LEU 61 3HD1 LEU 61 2.061 -3.910 4.164 482 1HD2 LEU 61 1HD2 LEU 61 3.329 -2.541 4.975 483 2HD2 LEU 61 2HD2 LEU 61 3.801 -2.398 6.664 484 3HD2 LEU 61 3HD2 LEU 61 2.237 -1.781 6.128 485 H TYR 62 H TYR 62 -0.873 -0.860 8.602 486 HA TYR 62 HA TYR 62 -1.998 -2.233 10.844 487 1HB TYR 62 2HB TYR 62 -1.832 0.327 10.351 488 2HB TYR 62 1HB TYR 62 -3.359 0.076 9.511 489 HD1 TYR 62 1HD TYR 62 -4.947 1.128 10.864 490 HD2 TYR 62 2HD TYR 62 -2.116 -1.500 12.647 491 HE1 TYR 62 1HE TYR 62 -6.148 1.295 13.004 492 HE2 TYR 62 2HE TYR 62 -3.309 -1.341 14.791 493 HH TYR 62 HH TYR 62 -5.610 1.005 15.445 494 H TYR 63 H TYR 63 -3.181 -1.553 7.555 495 HA TYR 63 HA TYR 63 -5.632 -3.000 8.080 496 1HB TYR 63 2HB TYR 63 -4.595 -1.724 5.541 497 2HB TYR 63 1HB TYR 63 -6.201 -2.418 5.740 498 HD1 TYR 63 1HD TYR 63 -3.954 0.166 7.220 499 HD2 TYR 63 2HD TYR 63 -7.955 -1.049 6.443 500 HE1 TYR 63 1HE TYR 63 -4.762 2.318 8.075 501 HE2 TYR 63 2HE TYR 63 -8.773 1.109 7.302 502 HH TYR 63 HH TYR 63 -6.566 3.698 8.177 503 H ASN 64 H ASN 64 -6.208 -4.990 7.326 504 HA ASN 64 HA ASN 64 -4.088 -6.537 5.989 505 1HB ASN 64 2HB ASN 64 -6.224 -7.611 7.836 506 2HB ASN 64 1HB ASN 64 -4.898 -8.525 7.116 507 1HD2 ASN 64 1HD2 ASN 64 -4.441 -9.097 9.340 508 2HD2 ASN 64 2HD2 ASN 64 -3.497 -8.026 10.312 509 H LEU 65 H LEU 65 -5.307 -8.746 5.288 510 HA LEU 65 HA LEU 65 -6.513 -8.242 2.879 511 1HB LEU 65 2HB LEU 65 -6.301 -10.603 4.678 512 2HB LEU 65 1HB LEU 65 -7.335 -10.710 3.274 513 HG LEU 65 HG LEU 65 -4.655 -9.676 2.697 514 1HD1 LEU 65 1HD1 LEU 65 -4.952 -12.040 4.335 515 2HD1 LEU 65 2HD1 LEU 65 -3.492 -11.177 3.851 516 3HD1 LEU 65 3HD1 LEU 65 -4.182 -12.407 2.792 517 1HD2 LEU 65 1HD2 LEU 65 -4.927 -10.816 0.723 518 2HD2 LEU 65 2HD2 LEU 65 -6.609 -10.510 1.159 519 3HD2 LEU 65 3HD2 LEU 65 -5.892 -12.092 1.466 520 H ASP 66 H ASP 66 -8.025 -8.494 6.024 521 HA ASP 66 HA ASP 66 -10.671 -8.629 4.778 522 1HB ASP 66 2HB ASP 66 -9.747 -9.982 6.900 523 2HB ASP 66 1HB ASP 66 -10.411 -8.578 7.731 524 H ASP 67 H ASP 67 -8.610 -6.412 6.472 525 HA ASP 67 HA ASP 67 -10.711 -4.623 7.228 526 1HB ASP 67 2HB ASP 67 -8.041 -4.915 7.915 527 2HB ASP 67 1HB ASP 67 -8.093 -3.386 7.042 528 H ILE 68 H ILE 68 -11.074 -2.535 6.478 529 HA ILE 68 HA ILE 68 -10.552 -2.158 3.603 530 HB ILE 68 HB ILE 68 -12.561 -0.475 4.988 531 1HG1 ILE 68 2HG1 ILE 68 -13.137 -2.630 5.937 532 2HG1 ILE 68 1HG1 ILE 68 -14.330 -2.194 4.716 533 1HG2 ILE 68 1HG2 ILE 68 -13.613 -0.448 2.893 534 2HG2 ILE 68 2HG2 ILE 68 -12.785 -1.910 2.364 535 3HG2 ILE 68 3HG2 ILE 68 -11.883 -0.401 2.541 536 1HD1 ILE 68 1HD1 ILE 68 -12.897 -4.568 4.912 537 2HD1 ILE 68 2HD1 ILE 68 -12.194 -3.703 3.544 538 3HD1 ILE 68 3HD1 ILE 68 -13.924 -4.042 3.578 539 H ALA 69 H ALA 69 -9.734 -0.242 2.866 540 HA ALA 69 HA ALA 69 -8.762 1.582 4.955 541 1HB ALA 69 1HB ALA 69 -6.938 0.502 3.810 542 2HB ALA 69 2HB ALA 69 -6.981 2.207 3.366 543 3HB ALA 69 3HB ALA 69 -7.585 0.987 2.244 544 H TYR 70 H TYR 70 -8.692 3.832 4.454 545 HA TYR 70 HA TYR 70 -10.731 4.673 2.500 546 1HB TYR 70 2HB TYR 70 -10.145 6.555 4.687 547 2HB TYR 70 1HB TYR 70 -11.690 6.071 4.005 548 HD1 TYR 70 1HD TYR 70 -8.973 4.663 6.168 549 HD2 TYR 70 2HD TYR 70 -13.142 4.905 5.362 550 HE1 TYR 70 1HE TYR 70 -9.435 3.317 8.173 551 HE2 TYR 70 2HE TYR 70 -13.615 3.561 7.364 552 HH TYR 70 HH TYR 70 -11.075 2.666 9.620 553 H VAL 71 H VAL 71 -10.333 6.578 1.313 554 HA VAL 71 HA VAL 71 -7.526 7.106 0.868 555 HB VAL 71 HB VAL 71 -9.892 8.432 -0.458 556 1HG1 VAL 71 1HG1 VAL 71 -7.100 8.074 -1.521 557 2HG1 VAL 71 2HG1 VAL 71 -7.608 9.506 -0.626 558 3HG1 VAL 71 3HG1 VAL 71 -8.386 9.100 -2.157 559 1HG2 VAL 71 1HG2 VAL 71 -9.926 6.766 -2.079 560 2HG2 VAL 71 2HG2 VAL 71 -9.726 5.867 -0.576 561 3HG2 VAL 71 3HG2 VAL 71 -8.337 6.154 -1.623 562 H GLY 72 H GLY 72 -6.401 8.899 1.402 563 1HA GLY 72 2HA GLY 72 -6.492 11.337 1.805 564 2HA GLY 72 1HA GLY 72 -7.890 11.020 2.817 565 H LYS 73 H LYS 73 -5.711 8.542 3.323 566 HA LYS 73 HA LYS 73 -4.041 9.954 5.205 567 1HB LYS 73 2HB LYS 73 -6.415 8.431 6.041 568 2HB LYS 73 1HB LYS 73 -4.943 8.052 6.924 569 1HG LYS 73 2HG LYS 73 -5.727 10.902 6.543 570 2HG LYS 73 1HG LYS 73 -6.544 9.925 7.765 571 1HD LYS 73 2HD LYS 73 -4.367 9.378 8.762 572 2HD LYS 73 1HD LYS 73 -3.569 10.390 7.556 573 1HE LYS 73 2HE LYS 73 -5.576 11.983 8.690 574 2HE LYS 73 1HE LYS 73 -4.816 11.139 10.038 575 1HZ LYS 73 1HZ LYS 73 -3.872 13.392 9.002 576 2HZ LYS 73 2HZ LYS 73 -3.010 12.276 8.068 577 3HZ LYS 73 3HZ LYS 73 -2.889 12.238 9.755 578 HA PRO 74 HA PRO 74 -1.032 6.951 3.931 579 1HB PRO 74 2HB PRO 74 -0.296 7.336 6.821 580 2HB PRO 74 1HB PRO 74 0.763 7.246 5.412 581 1HG PRO 74 2HG PRO 74 0.227 9.605 6.337 582 2HG PRO 74 1HG PRO 74 0.037 9.330 4.591 583 1HD PRO 74 2HD PRO 74 -2.077 9.461 6.715 584 2HD PRO 74 1HD PRO 74 -2.075 10.172 5.085 585 H LEU 75 H LEU 75 -0.538 4.776 4.151 586 HA LEU 75 HA LEU 75 -2.177 3.299 6.105 587 1HB LEU 75 2HB LEU 75 -3.183 2.770 4.096 588 2HB LEU 75 1HB LEU 75 -1.687 2.867 3.194 589 HG LEU 75 HG LEU 75 -1.033 0.696 3.812 590 1HD1 LEU 75 1HD1 LEU 75 -1.297 0.133 5.950 591 2HD1 LEU 75 2HD1 LEU 75 -2.917 -0.396 5.496 592 3HD1 LEU 75 3HD1 LEU 75 -2.670 1.222 6.152 593 1HD2 LEU 75 1HD2 LEU 75 -2.507 0.032 2.273 594 2HD2 LEU 75 2HD2 LEU 75 -3.765 1.108 2.884 595 3HD2 LEU 75 3HD2 LEU 75 -3.514 -0.472 3.630 596 H VAL 76 H VAL 76 0.800 3.126 4.126 597 HA VAL 76 HA VAL 76 2.124 1.841 6.401 598 HB VAL 76 HB VAL 76 1.555 -0.105 5.182 599 1HG1 VAL 76 1HG1 VAL 76 2.674 0.288 2.601 600 2HG1 VAL 76 2HG1 VAL 76 1.591 1.637 2.946 601 3HG1 VAL 76 3HG1 VAL 76 0.994 -0.020 3.042 602 1HG2 VAL 76 1HG2 VAL 76 3.755 -0.872 4.193 603 2HG2 VAL 76 2HG2 VAL 76 3.807 -0.298 5.860 604 3HG2 VAL 76 3HG2 VAL 76 4.378 0.731 4.554 605 H ASP 77 H ASP 77 4.345 2.138 6.514 606 HA ASP 77 HA ASP 77 5.430 4.179 4.689 607 1HB ASP 77 2HB ASP 77 6.536 3.379 7.385 608 2HB ASP 77 1HB ASP 77 6.972 4.789 6.425 609 H ILE 78 H ILE 78 6.836 3.470 3.215 610 HA ILE 78 HA ILE 78 8.484 1.122 3.867 611 HB ILE 78 HB ILE 78 7.619 1.437 1.048 612 1HG1 ILE 78 2HG1 ILE 78 5.623 -0.136 1.752 613 2HG1 ILE 78 1HG1 ILE 78 5.791 0.691 3.295 614 1HG2 ILE 78 1HG2 ILE 78 8.907 -0.398 1.130 615 2HG2 ILE 78 2HG2 ILE 78 7.423 -1.182 1.670 616 3HG2 ILE 78 3HG2 ILE 78 8.620 -0.653 2.851 617 1HD1 ILE 78 1HD1 ILE 78 4.426 1.551 0.993 618 2HD1 ILE 78 2HD1 ILE 78 5.796 2.636 1.235 619 3HD1 ILE 78 3HD1 ILE 78 4.627 2.388 2.533 620 H GLU 79 H GLU 79 10.525 1.015 2.872 621 HA GLU 79 HA GLU 79 11.464 3.609 1.878 622 1HB GLU 79 2HB GLU 79 12.640 1.454 3.464 623 2HB GLU 79 1HB GLU 79 13.684 1.970 2.147 624 1HG GLU 79 2HG GLU 79 12.626 4.273 3.449 625 2HG GLU 79 1HG GLU 79 13.305 3.185 4.657 626 H THR 80 H THR 80 11.514 3.842 -0.234 627 HA THR 80 HA THR 80 12.505 1.665 -1.927 628 HB THR 80 HB THR 80 10.659 2.621 -3.612 629 HG1 THR 80 1HG THR 80 9.487 2.893 -1.026 630 1HG2 THR 80 1HG2 THR 80 10.988 0.277 -2.107 631 2HG2 THR 80 2HG2 THR 80 9.963 0.501 -3.527 632 3HG2 THR 80 3HG2 THR 80 9.297 0.736 -1.910 633 H GLU 81 H GLU 81 13.283 2.412 -4.018 634 HA GLU 81 HA GLU 81 14.825 4.730 -3.873 635 1HB GLU 81 2HB GLU 81 14.582 2.606 -5.639 636 2HB GLU 81 1HB GLU 81 14.121 3.999 -6.608 637 1HG GLU 81 2HG GLU 81 16.280 4.344 -6.949 638 2HG GLU 81 1HG GLU 81 16.386 4.839 -5.260 639 H ALA 82 H ALA 82 14.644 6.764 -4.869 640 HA ALA 82 HA ALA 82 12.313 8.146 -4.598 641 1HB ALA 82 1HB ALA 82 14.386 8.767 -6.693 642 2HB ALA 82 2HB ALA 82 14.558 9.135 -4.977 643 3HB ALA 82 3HB ALA 82 13.278 9.900 -5.919 644 H LEU 83 H LEU 83 10.385 7.794 -5.464 645 HA LEU 83 HA LEU 83 10.234 7.190 -8.344 646 1HB LEU 83 2HB LEU 83 9.397 5.560 -6.249 647 2HB LEU 83 1HB LEU 83 7.921 6.311 -6.826 648 HG LEU 83 HG LEU 83 8.418 5.502 -9.108 649 1HD1 LEU 83 1HD1 LEU 83 10.679 3.988 -7.811 650 2HD1 LEU 83 2HD1 LEU 83 10.882 5.415 -8.827 651 3HD1 LEU 83 3HD1 LEU 83 10.199 3.939 -9.508 652 1HD2 LEU 83 1HD2 LEU 83 8.426 2.933 -8.234 653 2HD2 LEU 83 2HD2 LEU 83 7.000 3.970 -8.277 654 3HD2 LEU 83 3HD2 LEU 83 7.914 3.788 -6.779 655 H LYS 84 H LYS 84 8.898 8.406 -9.546 656 HA LYS 84 HA LYS 84 8.008 10.884 -8.675 657 1HB LYS 84 2HB LYS 84 8.291 9.784 -11.087 658 2HB LYS 84 1HB LYS 84 6.552 9.581 -10.922 659 1HG LYS 84 2HG LYS 84 6.462 12.060 -10.381 660 2HG LYS 84 1HG LYS 84 8.134 12.132 -10.944 661 1HD LYS 84 2HD LYS 84 7.364 11.106 -13.094 662 2HD LYS 84 1HD LYS 84 5.705 11.288 -12.519 663 1HE LYS 84 2HE LYS 84 6.023 13.191 -13.811 664 2HE LYS 84 1HE LYS 84 6.338 13.766 -12.174 665 1HZ LYS 84 1HZ LYS 84 8.043 14.605 -13.559 666 2HZ LYS 84 2HZ LYS 84 8.332 13.095 -14.264 667 3HZ LYS 84 3HZ LYS 84 8.744 13.365 -12.646 668 H ASP 85 H ASP 85 6.507 7.791 -8.369 669 HA ASP 85 HA ASP 85 3.820 8.381 -8.260 670 1HB ASP 85 2HB ASP 85 5.419 6.194 -7.597 671 2HB ASP 85 1HB ASP 85 4.558 6.576 -6.109 672 H LEU 86 H LEU 86 6.159 8.581 -5.579 673 HA LEU 86 HA LEU 86 4.208 10.262 -4.146 674 1HB LEU 86 2HB LEU 86 5.670 7.951 -3.297 675 2HB LEU 86 1HB LEU 86 6.179 9.330 -2.341 676 HG LEU 86 HG LEU 86 3.465 9.608 -2.266 677 1HD1 LEU 86 1HD1 LEU 86 3.050 7.527 -3.417 678 2HD1 LEU 86 2HD1 LEU 86 2.553 7.385 -1.731 679 3HD1 LEU 86 3HD1 LEU 86 4.065 6.655 -2.268 680 1HD2 LEU 86 1HD2 LEU 86 5.161 9.665 -0.407 681 2HD2 LEU 86 2HD2 LEU 86 5.015 7.909 -0.323 682 3HD2 LEU 86 3HD2 LEU 86 3.612 8.928 0.003 683 H GLU 87 H GLU 87 7.486 9.955 -5.279 684 HA GLU 87 HA GLU 87 8.010 12.661 -5.379 685 1HB GLU 87 2HB GLU 87 9.698 12.770 -3.428 686 2HB GLU 87 1HB GLU 87 7.988 12.953 -3.063 687 1HG GLU 87 2HG GLU 87 7.846 10.912 -2.029 688 2HG GLU 87 1HG GLU 87 9.214 10.245 -2.919 Start of MODEL 13 1 1H MET 1 1HT MET 1 -20.588 -9.920 2.323 2 2H MET 1 2HT MET 1 -19.974 -8.493 2.988 3 3H MET 1 3HT MET 1 -19.952 -9.922 3.890 4 HA MET 1 HA MET 1 -18.580 -10.765 1.828 5 1HB MET 1 2HB MET 1 -18.271 -7.772 1.942 6 2HB MET 1 1HB MET 1 -17.012 -8.804 1.271 7 1HG MET 1 2HG MET 1 -19.624 -9.427 0.171 8 2HG MET 1 1HG MET 1 -19.182 -7.738 -0.077 9 1HE MET 1 1HE MET 1 -16.318 -7.387 -1.825 10 2HE MET 1 2HE MET 1 -17.966 -6.862 -1.480 11 3HE MET 1 3HE MET 1 -17.592 -7.630 -3.023 12 H GLY 2 H GLY 2 -17.370 -8.045 3.768 13 1HA GLY 2 2HA GLY 2 -16.058 -7.975 5.665 14 2HA GLY 2 1HA GLY 2 -16.338 -9.698 5.873 15 H GLN 3 H GLN 3 -15.199 -9.175 2.777 16 HA GLN 3 HA GLN 3 -12.526 -10.108 3.505 17 1HB GLN 3 2HB GLN 3 -13.744 -9.743 0.767 18 2HB GLN 3 1HB GLN 3 -12.243 -10.579 1.148 19 1HG GLN 3 2HG GLN 3 -13.879 -11.972 2.700 20 2HG GLN 3 1HG GLN 3 -15.047 -11.442 1.486 21 1HE2 GLN 3 1HE2 GLN 3 -14.895 -12.217 -0.611 22 2HE2 GLN 3 2HE2 GLN 3 -13.865 -13.534 -1.042 23 H VAL 4 H VAL 4 -10.611 -9.117 2.726 24 HA VAL 4 HA VAL 4 -10.893 -6.358 1.761 25 HB VAL 4 HB VAL 4 -9.163 -5.554 3.294 26 1HG1 VAL 4 1HG1 VAL 4 -10.742 -4.952 4.722 27 2HG1 VAL 4 2HG1 VAL 4 -10.852 -6.588 5.374 28 3HG1 VAL 4 3HG1 VAL 4 -11.811 -6.136 3.964 29 1HG2 VAL 4 1HG2 VAL 4 -9.168 -8.391 4.228 30 2HG2 VAL 4 2HG2 VAL 4 -8.705 -7.092 5.329 31 3HG2 VAL 4 3HG2 VAL 4 -7.804 -7.342 3.830 32 H VAL 5 H VAL 5 -9.185 -5.610 0.508 33 HA VAL 5 HA VAL 5 -7.373 -7.692 -0.472 34 HB VAL 5 HB VAL 5 -6.852 -6.055 -2.305 35 1HG1 VAL 5 1HG1 VAL 5 -9.550 -6.155 -2.974 36 2HG1 VAL 5 2HG1 VAL 5 -9.298 -7.529 -1.898 37 3HG1 VAL 5 3HG1 VAL 5 -8.321 -7.359 -3.355 38 1HG2 VAL 5 1HG2 VAL 5 -7.528 -4.019 -1.063 39 2HG2 VAL 5 2HG2 VAL 5 -9.211 -4.513 -1.239 40 3HG2 VAL 5 3HG2 VAL 5 -8.248 -4.139 -2.667 41 H GLN 6 H GLN 6 -5.305 -7.654 0.172 42 HA GLN 6 HA GLN 6 -4.401 -5.309 1.657 43 1HB GLN 6 2HB GLN 6 -3.526 -8.180 1.617 44 2HB GLN 6 1HB GLN 6 -2.553 -6.938 2.390 45 1HG GLN 6 2HG GLN 6 -3.946 -6.776 4.168 46 2HG GLN 6 1HG GLN 6 -5.391 -6.994 3.186 47 1HE2 GLN 6 1HE2 GLN 6 -5.016 -9.411 2.037 48 2HE2 GLN 6 2HE2 GLN 6 -4.957 -10.636 3.255 49 H PHE 7 H PHE 7 -2.501 -4.257 1.289 50 HA PHE 7 HA PHE 7 -1.294 -4.740 -1.343 51 1HB PHE 7 2HB PHE 7 -2.008 -2.524 -1.373 52 2HB PHE 7 1HB PHE 7 -1.672 -2.290 0.335 53 HD1 PHE 7 1HD PHE 7 0.015 -0.862 0.843 54 HD2 PHE 7 2HD PHE 7 0.282 -3.102 -2.775 55 HE1 PHE 7 1HE PHE 7 2.124 0.261 0.308 56 HE2 PHE 7 2HE PHE 7 2.406 -1.959 -3.315 57 HZ PHE 7 HZ PHE 7 3.330 -0.285 -1.760 58 H LYS 8 H LYS 8 0.845 -5.060 -1.580 59 HA LYS 8 HA LYS 8 2.517 -5.194 0.847 60 1HB LYS 8 2HB LYS 8 3.603 -7.181 -0.080 61 2HB LYS 8 1HB LYS 8 1.892 -7.452 0.214 62 1HG LYS 8 2HG LYS 8 2.523 -6.535 -2.499 63 2HG LYS 8 1HG LYS 8 3.177 -8.119 -2.072 64 1HD LYS 8 2HD LYS 8 0.342 -7.478 -1.426 65 2HD LYS 8 1HD LYS 8 0.781 -7.901 -3.083 66 1HE LYS 8 2HE LYS 8 1.420 -9.580 -0.662 67 2HE LYS 8 1HE LYS 8 0.022 -9.830 -1.701 68 1HZ LYS 8 1HZ LYS 8 1.268 -10.981 -3.096 69 2HZ LYS 8 2HZ LYS 8 2.571 -10.848 -2.021 70 3HZ LYS 8 3HZ LYS 8 2.373 -9.707 -3.253 71 H LEU 9 H LEU 9 4.673 -4.627 0.598 72 HA LEU 9 HA LEU 9 5.376 -2.634 -1.136 73 1HB LEU 9 2HB LEU 9 6.543 -3.387 0.934 74 2HB LEU 9 1HB LEU 9 7.233 -4.706 0.013 75 HG LEU 9 HG LEU 9 8.788 -2.825 0.376 76 1HD1 LEU 9 1HD1 LEU 9 8.376 -4.310 -1.899 77 2HD1 LEU 9 2HD1 LEU 9 9.805 -3.373 -1.505 78 3HD1 LEU 9 3HD1 LEU 9 8.539 -2.663 -2.503 79 1HD2 LEU 9 1HD2 LEU 9 8.063 -0.746 0.179 80 2HD2 LEU 9 2HD2 LEU 9 6.551 -1.290 -0.549 81 3HD2 LEU 9 3HD2 LEU 9 7.957 -0.988 -1.565 82 H SER 10 H SER 10 5.745 -2.534 -3.235 83 HA SER 10 HA SER 10 6.554 -4.994 -4.650 84 1HB SER 10 2HB SER 10 5.413 -3.538 -6.623 85 2HB SER 10 1HB SER 10 4.519 -4.706 -5.642 86 HG SER 10 HG SER 10 3.346 -3.057 -5.067 87 H ASP 11 H ASP 11 7.570 -4.470 -6.833 88 HA ASP 11 HA ASP 11 9.028 -3.330 -8.191 89 1HB ASP 11 2HB ASP 11 8.065 -1.198 -7.072 90 2HB ASP 11 1HB ASP 11 9.539 -1.236 -6.102 91 H ILE 12 H ILE 12 9.617 -4.350 -5.004 92 HA ILE 12 HA ILE 12 12.520 -4.477 -5.500 93 HB ILE 12 HB ILE 12 11.034 -4.553 -2.868 94 1HG1 ILE 12 2HG1 ILE 12 13.227 -2.654 -3.563 95 2HG1 ILE 12 1HG1 ILE 12 11.627 -2.377 -4.246 96 1HG2 ILE 12 1HG2 ILE 12 12.816 -6.061 -2.516 97 2HG2 ILE 12 2HG2 ILE 12 13.438 -4.521 -1.921 98 3HG2 ILE 12 3HG2 ILE 12 13.920 -5.112 -3.506 99 1HD1 ILE 12 1HD1 ILE 12 12.424 -1.333 -1.945 100 2HD1 ILE 12 2HD1 ILE 12 11.780 -2.862 -1.334 101 3HD1 ILE 12 3HD1 ILE 12 10.746 -1.773 -2.266 102 H GLY 13 H GLY 13 13.660 -6.395 -5.218 103 1HA GLY 13 2HA GLY 13 11.979 -8.807 -5.193 104 2HA GLY 13 1HA GLY 13 13.520 -8.667 -6.027 105 H GLU 14 H GLU 14 12.232 -10.289 -3.660 106 HA GLU 14 HA GLU 14 13.539 -9.866 -1.297 107 1HB GLU 14 2HB GLU 14 12.073 -11.955 -2.487 108 2HB GLU 14 1HB GLU 14 13.538 -12.685 -1.849 109 1HG GLU 14 2HG GLU 14 11.672 -10.937 -0.263 110 2HG GLU 14 1HG GLU 14 11.640 -12.698 -0.267 111 H GLY 15 H GLY 15 15.657 -9.099 -1.452 112 1HA GLY 15 2HA GLY 15 17.787 -10.662 -1.085 113 2HA GLY 15 1HA GLY 15 17.622 -10.757 -2.833 114 H ILE 16 H ILE 16 16.560 -7.915 -2.713 115 HA ILE 16 HA ILE 16 19.196 -6.627 -2.733 116 HB ILE 16 HB ILE 16 18.315 -5.046 -4.291 117 1HG1 ILE 16 2HG1 ILE 16 15.608 -6.380 -4.156 118 2HG1 ILE 16 1HG1 ILE 16 16.010 -4.969 -3.181 119 1HG2 ILE 16 1HG2 ILE 16 18.175 -7.897 -4.783 120 2HG2 ILE 16 2HG2 ILE 16 18.893 -6.607 -5.746 121 3HG2 ILE 16 3HG2 ILE 16 17.173 -6.965 -5.899 122 1HD1 ILE 16 1HD1 ILE 16 14.775 -4.638 -5.403 123 2HD1 ILE 16 2HD1 ILE 16 16.345 -4.929 -6.147 124 3HD1 ILE 16 3HD1 ILE 16 16.138 -3.579 -5.031 125 H ARG 17 H ARG 17 18.154 -3.956 -2.766 126 HA ARG 17 HA ARG 17 17.853 -3.599 0.064 127 1HB ARG 17 2HB ARG 17 18.737 -2.015 -2.138 128 2HB ARG 17 1HB ARG 17 17.438 -1.156 -1.324 129 1HG ARG 17 2HG ARG 17 18.674 -1.562 0.828 130 2HG ARG 17 1HG ARG 17 20.049 -2.082 -0.141 131 1HD ARG 17 2HD ARG 17 18.828 0.615 0.159 132 2HD ARG 17 1HD ARG 17 20.523 0.148 0.184 133 HE ARG 17 HE ARG 17 20.563 0.188 -2.136 134 1HH1 ARG 17 1HH1 ARG 17 17.307 0.764 -0.960 135 2HH1 ARG 17 2HH1 ARG 17 16.763 1.403 -2.475 136 1HH2 ARG 17 1HH2 ARG 17 19.827 1.037 -4.098 137 2HH2 ARG 17 2HH2 ARG 17 18.180 1.558 -4.241 138 H GLU 18 H GLU 18 16.091 -2.484 1.087 139 HA GLU 18 HA GLU 18 13.539 -3.015 -0.260 140 1HB GLU 18 2HB GLU 18 14.113 -2.440 2.648 141 2HB GLU 18 1HB GLU 18 12.553 -2.904 1.980 142 1HG GLU 18 2HG GLU 18 15.017 -4.608 1.795 143 2HG GLU 18 1HG GLU 18 13.836 -4.733 3.102 144 H VAL 19 H VAL 19 11.703 -1.343 0.501 145 HA VAL 19 HA VAL 19 12.955 1.318 0.209 146 HB VAL 19 HB VAL 19 11.993 0.530 -1.924 147 1HG1 VAL 19 1HG1 VAL 19 9.251 1.040 -0.877 148 2HG1 VAL 19 2HG1 VAL 19 9.981 -0.549 -0.629 149 3HG1 VAL 19 3HG1 VAL 19 9.775 0.081 -2.265 150 1HG2 VAL 19 1HG2 VAL 19 10.960 2.615 -2.484 151 2HG2 VAL 19 2HG2 VAL 19 12.235 2.917 -1.309 152 3HG2 VAL 19 3HG2 VAL 19 10.556 2.916 -0.795 153 H THR 20 H THR 20 11.893 3.121 0.956 154 HA THR 20 HA THR 20 10.123 2.621 3.226 155 HB THR 20 HB THR 20 11.117 5.347 2.734 156 HG1 THR 20 1HG THR 20 12.968 4.308 2.086 157 1HG2 THR 20 1HG2 THR 20 11.304 3.564 5.150 158 2HG2 THR 20 2HG2 THR 20 9.953 4.634 4.792 159 3HG2 THR 20 3HG2 THR 20 11.553 5.308 5.099 160 H VAL 21 H VAL 21 8.423 4.150 3.640 161 HA VAL 21 HA VAL 21 6.931 4.739 1.211 162 HB VAL 21 HB VAL 21 6.131 5.228 4.078 163 1HG1 VAL 21 1HG1 VAL 21 4.658 6.489 2.834 164 2HG1 VAL 21 2HG1 VAL 21 3.801 4.950 2.913 165 3HG1 VAL 21 3HG1 VAL 21 4.696 5.385 1.463 166 1HG2 VAL 21 1HG2 VAL 21 4.783 3.093 3.723 167 2HG2 VAL 21 2HG2 VAL 21 6.523 2.900 3.941 168 3HG2 VAL 21 3HG2 VAL 21 5.820 2.798 2.327 169 H LYS 22 H LYS 22 6.863 6.722 0.284 170 HA LYS 22 HA LYS 22 8.229 8.917 1.645 171 1HB LYS 22 2HB LYS 22 8.648 8.121 -0.787 172 2HB LYS 22 1HB LYS 22 7.190 9.022 -1.167 173 1HG LYS 22 2HG LYS 22 9.139 10.374 -1.613 174 2HG LYS 22 1HG LYS 22 8.217 11.051 -0.274 175 1HD LYS 22 2HD LYS 22 9.803 10.505 1.284 176 2HD LYS 22 1HD LYS 22 10.429 9.162 0.332 177 1HE LYS 22 2HE LYS 22 11.987 11.062 0.483 178 2HE LYS 22 1HE LYS 22 11.517 10.685 -1.171 179 1HZ LYS 22 1HZ LYS 22 11.278 13.098 0.218 180 2HZ LYS 22 2HZ LYS 22 9.722 12.574 -0.189 181 3HZ LYS 22 3HZ LYS 22 10.893 12.771 -1.394 182 H GLU 23 H GLU 23 5.046 7.995 0.590 183 HA GLU 23 HA GLU 23 3.970 10.452 1.799 184 1HB GLU 23 2HB GLU 23 4.112 10.180 -0.924 185 2HB GLU 23 1HB GLU 23 2.499 9.561 -0.577 186 1HG GLU 23 2HG GLU 23 1.706 11.576 -0.026 187 2HG GLU 23 1HG GLU 23 3.176 12.033 0.832 188 H TRP 24 H TRP 24 2.374 10.023 3.179 189 HA TRP 24 HA TRP 24 0.870 7.505 2.862 190 1HB TRP 24 2HB TRP 24 2.313 8.611 5.188 191 2HB TRP 24 1HB TRP 24 0.693 8.006 5.537 192 HD1 TRP 24 HD TRP 24 4.126 6.887 5.432 193 HE1 TRP 24 1HE TRP 24 4.285 4.324 5.290 194 HE3 TRP 24 3HE TRP 24 -0.720 5.841 4.144 195 HZ2 TRP 24 2HZ TRP 24 2.609 2.172 4.708 196 HZ3 TRP 24 3HZ TRP 24 -1.346 3.477 3.821 197 HH2 TRP 24 HH TRP 24 0.290 1.691 4.092 198 H TYR 25 H TYR 25 -1.188 7.963 2.350 199 HA TYR 25 HA TYR 25 -2.366 10.396 3.525 200 1HB TYR 25 2HB TYR 25 -2.571 9.249 0.769 201 2HB TYR 25 1HB TYR 25 -3.881 10.243 1.402 202 HD1 TYR 25 1HD TYR 25 -2.793 12.414 2.753 203 HD2 TYR 25 2HD TYR 25 -1.164 10.412 -0.626 204 HE1 TYR 25 1HE TYR 25 -1.550 14.443 2.168 205 HE2 TYR 25 2HE TYR 25 0.110 12.444 -1.218 206 HH TYR 25 HH TYR 25 0.278 14.731 -0.817 207 H VAL 26 H VAL 26 -2.464 7.633 4.617 208 HA VAL 26 HA VAL 26 -5.352 7.568 4.940 209 HB VAL 26 HB VAL 26 -5.624 5.230 4.452 210 1HG1 VAL 26 1HG1 VAL 26 -5.224 5.266 2.026 211 2HG1 VAL 26 2HG1 VAL 26 -4.201 6.685 2.243 212 3HG1 VAL 26 3HG1 VAL 26 -5.924 6.774 2.620 213 1HG2 VAL 26 1HG2 VAL 26 -2.862 5.056 4.804 214 2HG2 VAL 26 2HG2 VAL 26 -3.125 4.723 3.095 215 3HG2 VAL 26 3HG2 VAL 26 -3.945 3.754 4.316 216 H LYS 27 H LYS 27 -6.013 5.906 6.645 217 HA LYS 27 HA LYS 27 -3.862 5.201 8.459 218 1HB LYS 27 2HB LYS 27 -5.580 7.488 8.933 219 2HB LYS 27 1HB LYS 27 -5.706 6.307 10.237 220 1HG LYS 27 2HG LYS 27 -2.981 7.024 9.282 221 2HG LYS 27 1HG LYS 27 -3.858 8.232 10.221 222 1HD LYS 27 2HD LYS 27 -4.122 6.611 12.050 223 2HD LYS 27 1HD LYS 27 -3.297 5.391 11.075 224 1HE LYS 27 2HE LYS 27 -1.928 7.983 11.595 225 2HE LYS 27 1HE LYS 27 -1.969 6.773 12.876 226 1HZ LYS 27 1HZ LYS 27 -0.141 6.039 11.844 227 2HZ LYS 27 2HZ LYS 27 -0.532 6.752 10.361 228 3HZ LYS 27 3HZ LYS 27 -1.242 5.284 10.806 229 H GLU 28 H GLU 28 -4.601 3.877 10.284 230 HA GLU 28 HA GLU 28 -6.148 1.720 9.440 231 1HB GLU 28 2HB GLU 28 -5.914 2.439 12.346 232 2HB GLU 28 1HB GLU 28 -5.917 0.845 11.617 233 1HG GLU 28 2HG GLU 28 -3.702 1.622 10.532 234 2HG GLU 28 1HG GLU 28 -3.705 2.831 11.809 235 H GLY 29 H GLY 29 -8.291 1.153 9.660 236 1HA GLY 29 2HA GLY 29 -10.547 1.414 10.043 237 2HA GLY 29 1HA GLY 29 -10.128 2.567 11.299 238 H ASP 30 H ASP 30 -8.693 3.537 8.455 239 HA ASP 30 HA ASP 30 -10.759 5.566 8.072 240 1HB ASP 30 2HB ASP 30 -8.206 5.983 8.477 241 2HB ASP 30 1HB ASP 30 -8.082 5.666 6.747 242 H THR 31 H THR 31 -11.421 6.182 5.989 243 HA THR 31 HA THR 31 -11.358 3.959 4.078 244 HB THR 31 HB THR 31 -13.200 6.339 3.982 245 HG1 THR 31 1HG THR 31 -13.927 5.555 5.806 246 1HG2 THR 31 1HG2 THR 31 -14.574 4.988 2.601 247 2HG2 THR 31 2HG2 THR 31 -13.638 3.533 2.958 248 3HG2 THR 31 3HG2 THR 31 -12.933 4.819 1.976 249 H VAL 32 H VAL 32 -10.863 4.298 1.935 250 HA VAL 32 HA VAL 32 -9.367 6.767 1.400 251 HB VAL 32 HB VAL 32 -8.777 5.026 -0.687 252 1HG1 VAL 32 1HG1 VAL 32 -7.370 6.635 0.692 253 2HG1 VAL 32 2HG1 VAL 32 -6.583 5.153 0.164 254 3HG1 VAL 32 3HG1 VAL 32 -7.155 5.302 1.821 255 1HG2 VAL 32 1HG2 VAL 32 -8.003 2.967 0.403 256 2HG2 VAL 32 2HG2 VAL 32 -9.759 3.117 0.486 257 3HG2 VAL 32 3HG2 VAL 32 -8.772 3.472 1.904 258 H SER 33 H SER 33 -9.342 7.464 -0.930 259 HA SER 33 HA SER 33 -11.895 6.954 -2.297 260 1HB SER 33 2HB SER 33 -11.783 9.124 -0.817 261 2HB SER 33 1HB SER 33 -10.819 9.758 -2.144 262 HG SER 33 HG SER 33 -12.556 9.482 -3.506 263 H GLN 34 H GLN 34 -11.821 7.924 -4.605 264 HA GLN 34 HA GLN 34 -9.627 6.888 -5.990 265 1HB GLN 34 2HB GLN 34 -11.921 7.309 -6.905 266 2HB GLN 34 1HB GLN 34 -11.487 9.007 -7.057 267 1HG GLN 34 2HG GLN 34 -9.436 7.429 -8.239 268 2HG GLN 34 1HG GLN 34 -10.991 6.889 -8.865 269 1HE2 GLN 34 1HE2 GLN 34 -11.974 8.076 -10.387 270 2HE2 GLN 34 2HE2 GLN 34 -11.429 9.616 -10.951 271 H PHE 35 H PHE 35 -9.922 9.903 -4.411 272 HA PHE 35 HA PHE 35 -7.686 11.029 -5.932 273 1HB PHE 35 2HB PHE 35 -9.894 12.225 -4.333 274 2HB PHE 35 1HB PHE 35 -8.351 13.075 -4.339 275 HD1 PHE 35 1HD PHE 35 -9.995 11.105 -7.017 276 HD2 PHE 35 2HD PHE 35 -8.683 14.937 -5.689 277 HE1 PHE 35 1HE PHE 35 -10.551 12.049 -9.223 278 HE2 PHE 35 2HE PHE 35 -9.221 15.883 -7.909 279 HZ PHE 35 HZ PHE 35 -10.162 14.443 -9.668 280 H ASP 36 H ASP 36 -8.479 9.612 -2.906 281 HA ASP 36 HA ASP 36 -6.020 10.604 -1.659 282 1HB ASP 36 2HB ASP 36 -8.585 9.474 -0.610 283 2HB ASP 36 1HB ASP 36 -7.124 9.250 0.351 284 H SER 37 H SER 37 -4.322 9.409 -2.241 285 HA SER 37 HA SER 37 -4.457 6.628 -2.865 286 1HB SER 37 2HB SER 37 -1.777 7.154 -2.529 287 2HB SER 37 1HB SER 37 -2.678 7.374 -4.030 288 HG SER 37 HG SER 37 -2.061 9.371 -3.828 289 H ILE 38 H ILE 38 -3.148 4.947 -1.776 290 HA ILE 38 HA ILE 38 -3.466 5.171 1.098 291 HB ILE 38 HB ILE 38 -2.625 2.788 -0.562 292 1HG1 ILE 38 2HG1 ILE 38 -5.254 3.817 0.460 293 2HG1 ILE 38 1HG1 ILE 38 -4.837 3.277 -1.159 294 1HG2 ILE 38 1HG2 ILE 38 -3.764 2.222 2.039 295 2HG2 ILE 38 2HG2 ILE 38 -2.301 3.196 2.169 296 3HG2 ILE 38 3HG2 ILE 38 -2.255 1.651 1.326 297 1HD1 ILE 38 1HD1 ILE 38 -5.794 1.765 1.165 298 2HD1 ILE 38 2HD1 ILE 38 -4.534 0.973 0.216 299 3HD1 ILE 38 3HD1 ILE 38 -6.034 1.480 -0.556 300 H CYS 39 H CYS 39 -0.851 3.528 -0.649 301 HA CYS 39 HA CYS 39 1.066 5.028 1.004 302 1HB CYS 39 2HB CYS 39 0.861 2.712 1.764 303 2HB CYS 39 1HB CYS 39 1.232 2.125 0.145 304 HG CYS 39 HG CYS 39 3.781 2.148 0.396 305 H GLU 40 H GLU 40 2.845 5.846 0.018 306 HA GLU 40 HA GLU 40 3.335 5.123 -2.782 307 1HB GLU 40 2HB GLU 40 3.647 7.958 -1.793 308 2HB GLU 40 1HB GLU 40 3.609 7.375 -3.451 309 1HG GLU 40 2HG GLU 40 1.254 6.852 -3.235 310 2HG GLU 40 1HG GLU 40 1.275 7.376 -1.555 311 H VAL 41 H VAL 41 5.337 4.480 -3.098 312 HA VAL 41 HA VAL 41 7.416 5.379 -1.209 313 HB VAL 41 HB VAL 41 8.571 3.255 -1.524 314 1HG1 VAL 41 1HG1 VAL 41 6.349 1.818 -0.750 315 2HG1 VAL 41 2HG1 VAL 41 5.933 3.483 -0.330 316 3HG1 VAL 41 3HG1 VAL 41 7.408 2.757 0.305 317 1HG2 VAL 41 1HG2 VAL 41 6.485 1.710 -2.746 318 2HG2 VAL 41 2HG2 VAL 41 8.169 1.911 -3.239 319 3HG2 VAL 41 3HG2 VAL 41 6.948 3.049 -3.796 320 H GLN 42 H GLN 42 9.390 5.931 -2.019 321 HA GLN 42 HA GLN 42 9.623 5.989 -4.943 322 1HB GLN 42 2HB GLN 42 9.785 8.187 -2.991 323 2HB GLN 42 1HB GLN 42 11.053 8.182 -4.208 324 1HG GLN 42 2HG GLN 42 9.627 8.630 -5.903 325 2HG GLN 42 1HG GLN 42 8.276 7.784 -5.139 326 1HE2 GLN 42 1HE2 GLN 42 6.856 9.445 -5.487 327 2HE2 GLN 42 2HE2 GLN 42 6.940 10.950 -4.646 328 H SER 43 H SER 43 11.490 5.262 -5.765 329 HA SER 43 HA SER 43 13.715 4.771 -3.899 330 1HB SER 43 2HB SER 43 12.350 3.007 -5.768 331 2HB SER 43 1HB SER 43 14.089 3.059 -6.055 332 HG SER 43 HG SER 43 14.453 2.387 -3.977 333 H ASP 44 H ASP 44 15.829 4.997 -4.707 334 HA ASP 44 HA ASP 44 16.250 7.264 -6.246 335 1HB ASP 44 2HB ASP 44 18.603 6.630 -6.273 336 2HB ASP 44 1HB ASP 44 17.903 6.369 -4.682 337 H LYS 45 H LYS 45 15.664 4.018 -7.273 338 HA LYS 45 HA LYS 45 16.642 4.618 -9.962 339 1HB LYS 45 2HB LYS 45 16.395 2.225 -10.395 340 2HB LYS 45 1HB LYS 45 17.359 2.512 -8.951 341 1HG LYS 45 2HG LYS 45 15.087 2.233 -7.722 342 2HG LYS 45 1HG LYS 45 14.606 1.408 -9.197 343 1HD LYS 45 2HD LYS 45 16.880 0.134 -8.832 344 2HD LYS 45 1HD LYS 45 16.626 0.620 -7.154 345 1HE LYS 45 2HE LYS 45 14.943 -0.836 -6.865 346 2HE LYS 45 1HE LYS 45 14.232 -0.481 -8.440 347 1HZ LYS 45 1HZ LYS 45 16.107 -2.571 -7.674 348 2HZ LYS 45 2HZ LYS 45 16.416 -1.832 -9.163 349 3HZ LYS 45 3HZ LYS 45 14.920 -2.572 -8.883 350 H ALA 46 H ALA 46 13.673 3.563 -8.312 351 HA ALA 46 HA ALA 46 12.130 4.681 -10.524 352 1HB ALA 46 1HB ALA 46 12.130 2.485 -11.278 353 2HB ALA 46 2HB ALA 46 10.622 2.588 -10.367 354 3HB ALA 46 3HB ALA 46 12.037 1.815 -9.648 355 H SER 47 H SER 47 10.198 5.535 -9.966 356 HA SER 47 HA SER 47 9.636 5.705 -7.088 357 1HB SER 47 2HB SER 47 8.220 7.376 -9.120 358 2HB SER 47 1HB SER 47 8.724 7.794 -7.482 359 HG SER 47 HG SER 47 10.220 7.771 -9.860 360 H VAL 48 H VAL 48 7.691 5.041 -6.254 361 HA VAL 48 HA VAL 48 5.680 3.966 -8.118 362 HB VAL 48 HB VAL 48 6.132 2.626 -5.484 363 1HG1 VAL 48 1HG1 VAL 48 4.186 1.885 -6.507 364 2HG1 VAL 48 2HG1 VAL 48 5.372 0.661 -6.954 365 3HG1 VAL 48 3HG1 VAL 48 4.905 1.900 -8.118 366 1HG2 VAL 48 1HG2 VAL 48 7.448 1.034 -7.341 367 2HG2 VAL 48 2HG2 VAL 48 8.203 1.979 -6.057 368 3HG2 VAL 48 3HG2 VAL 48 8.029 2.662 -7.672 369 H THR 49 H THR 49 3.579 4.100 -7.534 370 HA THR 49 HA THR 49 2.907 5.408 -5.001 371 HB THR 49 HB THR 49 1.476 7.040 -6.024 372 HG1 THR 49 1HG THR 49 2.279 6.143 -8.603 373 1HG2 THR 49 1HG2 THR 49 4.168 7.176 -6.118 374 2HG2 THR 49 2HG2 THR 49 3.114 8.494 -6.636 375 3HG2 THR 49 3HG2 THR 49 3.788 7.384 -7.826 376 H ILE 50 H ILE 50 1.160 4.491 -4.070 377 HA ILE 50 HA ILE 50 -0.292 2.489 -5.630 378 HB ILE 50 HB ILE 50 -0.367 2.950 -2.647 379 1HG1 ILE 50 2HG1 ILE 50 1.878 2.251 -3.558 380 2HG1 ILE 50 1HG1 ILE 50 1.159 1.098 -2.437 381 1HG2 ILE 50 1HG2 ILE 50 -2.339 1.809 -3.768 382 2HG2 ILE 50 2HG2 ILE 50 -1.543 0.930 -2.465 383 3HG2 ILE 50 3HG2 ILE 50 -1.231 0.483 -4.142 384 1HD1 ILE 50 1HD1 ILE 50 1.008 0.868 -5.426 385 2HD1 ILE 50 2HD1 ILE 50 0.504 -0.338 -4.240 386 3HD1 ILE 50 3HD1 ILE 50 2.214 0.067 -4.422 387 H THR 51 H THR 51 -2.016 3.225 -6.634 388 HA THR 51 HA THR 51 -3.664 5.325 -5.438 389 HB THR 51 HB THR 51 -4.681 4.322 -7.969 390 HG1 THR 51 1HG THR 51 -2.920 4.356 -9.188 391 1HG2 THR 51 1HG2 THR 51 -5.173 6.515 -8.225 392 2HG2 THR 51 2HG2 THR 51 -3.497 6.999 -7.954 393 3HG2 THR 51 3HG2 THR 51 -4.565 6.719 -6.581 394 H SER 52 H SER 52 -6.083 5.006 -5.861 395 HA SER 52 HA SER 52 -6.834 2.303 -4.940 396 1HB SER 52 2HB SER 52 -7.316 4.832 -3.784 397 2HB SER 52 1HB SER 52 -8.866 4.281 -4.414 398 HG SER 52 HG SER 52 -8.932 2.829 -2.901 399 H ARG 53 H ARG 53 -7.957 5.091 -6.863 400 HA ARG 53 HA ARG 53 -9.260 5.212 -8.715 401 1HB ARG 53 2HB ARG 53 -9.085 3.556 -10.287 402 2HB ARG 53 1HB ARG 53 -7.818 3.029 -9.196 403 1HG ARG 53 2HG ARG 53 -8.808 1.029 -9.203 404 2HG ARG 53 1HG ARG 53 -10.075 1.754 -8.225 405 1HD ARG 53 2HD ARG 53 -11.123 2.470 -10.441 406 2HD ARG 53 1HD ARG 53 -10.031 1.298 -11.175 407 HE ARG 53 HE ARG 53 -11.506 0.173 -9.012 408 1HH1 ARG 53 1HH1 ARG 53 -11.723 1.080 -12.364 409 2HH1 ARG 53 2HH1 ARG 53 -12.941 -0.089 -12.742 410 1HH2 ARG 53 1HH2 ARG 53 -13.142 -1.376 -9.498 411 2HH2 ARG 53 2HH2 ARG 53 -13.737 -1.490 -11.121 412 H TYR 54 H TYR 54 -10.196 4.274 -5.887 413 HA TYR 54 HA TYR 54 -12.952 4.520 -6.323 414 1HB TYR 54 2HB TYR 54 -11.941 1.860 -6.656 415 2HB TYR 54 1HB TYR 54 -12.835 1.924 -5.139 416 HD1 TYR 54 1HD TYR 54 -13.399 0.571 -7.992 417 HD2 TYR 54 2HD TYR 54 -14.879 3.967 -5.900 418 HE1 TYR 54 1HE TYR 54 -15.521 0.416 -9.237 419 HE2 TYR 54 2HE TYR 54 -16.999 3.817 -7.129 420 HH TYR 54 HH TYR 54 -17.813 1.106 -9.088 421 H ASP 55 H ASP 55 -14.107 3.912 -4.143 422 HA ASP 55 HA ASP 55 -12.312 4.836 -2.042 423 1HB ASP 55 2HB ASP 55 -14.555 5.105 -0.778 424 2HB ASP 55 1HB ASP 55 -14.156 6.246 -2.060 425 H GLY 56 H GLY 56 -11.600 3.503 -0.527 426 1HA GLY 56 2HA GLY 56 -13.132 1.031 -0.007 427 2HA GLY 56 1HA GLY 56 -11.396 0.974 -0.276 428 H VAL 57 H VAL 57 -12.444 -0.079 2.000 429 HA VAL 57 HA VAL 57 -11.970 1.957 4.056 430 HB VAL 57 HB VAL 57 -13.113 -0.810 4.395 431 1HG1 VAL 57 1HG1 VAL 57 -13.977 0.615 6.490 432 2HG1 VAL 57 2HG1 VAL 57 -12.424 1.409 6.213 433 3HG1 VAL 57 3HG1 VAL 57 -12.490 -0.330 6.507 434 1HG2 VAL 57 1HG2 VAL 57 -14.474 1.879 4.095 435 2HG2 VAL 57 2HG2 VAL 57 -15.285 0.416 4.649 436 3HG2 VAL 57 3HG2 VAL 57 -14.616 0.489 3.023 437 H ILE 58 H ILE 58 -10.071 2.034 5.042 438 HA ILE 58 HA ILE 58 -8.282 -0.298 4.960 439 HB ILE 58 HB ILE 58 -7.592 2.532 5.771 440 1HG1 ILE 58 2HG1 ILE 58 -7.000 1.262 3.108 441 2HG1 ILE 58 1HG1 ILE 58 -8.465 2.203 3.368 442 1HG2 ILE 58 1HG2 ILE 58 -5.749 1.437 6.484 443 2HG2 ILE 58 2HG2 ILE 58 -5.332 1.400 4.768 444 3HG2 ILE 58 3HG2 ILE 58 -6.105 0.004 5.518 445 1HD1 ILE 58 1HD1 ILE 58 -7.291 4.189 3.608 446 2HD1 ILE 58 2HD1 ILE 58 -6.396 3.338 2.346 447 3HD1 ILE 58 3HD1 ILE 58 -5.786 3.358 3.996 448 H LYS 59 H LYS 59 -7.892 -1.449 6.755 449 HA LYS 59 HA LYS 59 -9.160 -0.583 9.245 450 1HB LYS 59 2HB LYS 59 -9.695 -2.788 8.239 451 2HB LYS 59 1HB LYS 59 -8.031 -3.287 8.525 452 1HG LYS 59 2HG LYS 59 -9.074 -2.270 10.958 453 2HG LYS 59 1HG LYS 59 -10.249 -3.408 10.292 454 1HD LYS 59 2HD LYS 59 -7.819 -4.686 9.897 455 2HD LYS 59 1HD LYS 59 -7.619 -3.890 11.458 456 1HE LYS 59 2HE LYS 59 -8.560 -5.810 12.199 457 2HE LYS 59 1HE LYS 59 -10.041 -4.918 11.851 458 1HZ LYS 59 1HZ LYS 59 -8.725 -6.808 9.974 459 2HZ LYS 59 2HZ LYS 59 -10.200 -6.022 9.730 460 3HZ LYS 59 3HZ LYS 59 -10.058 -7.193 10.942 461 H LYS 60 H LYS 60 -5.958 -1.435 8.026 462 HA LYS 60 HA LYS 60 -4.804 -0.207 10.376 463 1HB LYS 60 2HB LYS 60 -3.364 -2.428 10.639 464 2HB LYS 60 1HB LYS 60 -4.867 -2.186 11.519 465 1HG LYS 60 2HG LYS 60 -4.978 -4.358 10.664 466 2HG LYS 60 1HG LYS 60 -6.009 -3.387 9.614 467 1HD LYS 60 2HD LYS 60 -4.814 -3.994 7.837 468 2HD LYS 60 1HD LYS 60 -3.344 -3.361 8.581 469 1HE LYS 60 2HE LYS 60 -4.498 -6.130 8.876 470 2HE LYS 60 1HE LYS 60 -2.998 -5.679 8.073 471 1HZ LYS 60 1HZ LYS 60 -3.345 -6.362 10.754 472 2HZ LYS 60 2HZ LYS 60 -2.920 -4.727 10.714 473 3HZ LYS 60 3HZ LYS 60 -1.923 -5.874 9.976 474 H LEU 61 H LEU 61 -2.585 0.087 10.310 475 HA LEU 61 HA LEU 61 -1.232 -0.406 7.761 476 1HB LEU 61 2HB LEU 61 -1.622 2.252 9.126 477 2HB LEU 61 1HB LEU 61 -0.274 1.965 8.038 478 HG LEU 61 HG LEU 61 -3.176 1.644 7.242 479 1HD1 LEU 61 1HD1 LEU 61 -1.497 3.868 6.230 480 2HD1 LEU 61 2HD1 LEU 61 -2.173 4.015 7.853 481 3HD1 LEU 61 3HD1 LEU 61 -3.242 3.778 6.472 482 1HD2 LEU 61 1HD2 LEU 61 -2.014 0.357 5.741 483 2HD2 LEU 61 2HD2 LEU 61 -0.552 1.330 5.858 484 3HD2 LEU 61 3HD2 LEU 61 -1.937 1.926 4.942 485 H TYR 62 H TYR 62 0.947 -0.806 7.957 486 HA TYR 62 HA TYR 62 1.943 -0.891 10.730 487 1HB TYR 62 2HB TYR 62 1.589 -3.073 9.482 488 2HB TYR 62 1HB TYR 62 2.929 -2.593 8.444 489 HD1 TYR 62 1HD TYR 62 5.155 -2.857 9.142 490 HD2 TYR 62 2HD TYR 62 2.000 -3.414 11.902 491 HE1 TYR 62 1HE TYR 62 6.753 -3.820 10.737 492 HE2 TYR 62 2HE TYR 62 3.572 -4.365 13.538 493 HH TYR 62 HH TYR 62 6.872 -5.101 12.648 494 H TYR 63 H TYR 63 3.035 -0.309 7.374 495 HA TYR 63 HA TYR 63 5.531 0.826 8.405 496 1HB TYR 63 2HB TYR 63 4.609 0.314 5.567 497 2HB TYR 63 1HB TYR 63 6.194 0.934 6.013 498 HD1 TYR 63 1HD TYR 63 4.975 -1.797 4.655 499 HD2 TYR 63 2HD TYR 63 6.913 -0.736 8.297 500 HE1 TYR 63 1HE TYR 63 5.838 -4.088 4.871 501 HE2 TYR 63 2HE TYR 63 7.760 -3.028 8.517 502 HH TYR 63 HH TYR 63 8.279 -4.952 6.844 503 H ASN 64 H ASN 64 6.041 2.927 8.378 504 HA ASN 64 HA ASN 64 3.988 4.782 7.369 505 1HB ASN 64 2HB ASN 64 6.082 5.288 9.493 506 2HB ASN 64 1HB ASN 64 4.806 6.404 8.997 507 1HD2 ASN 64 1HD2 ASN 64 2.802 6.186 9.838 508 2HD2 ASN 64 2HD2 ASN 64 2.354 4.985 11.002 509 H LEU 65 H LEU 65 5.237 7.091 7.300 510 HA LEU 65 HA LEU 65 6.527 7.217 4.873 511 1HB LEU 65 2HB LEU 65 6.423 9.071 7.225 512 2HB LEU 65 1HB LEU 65 7.286 9.499 5.767 513 HG LEU 65 HG LEU 65 4.743 8.618 4.952 514 1HD1 LEU 65 1HD1 LEU 65 4.700 10.035 7.521 515 2HD1 LEU 65 2HD1 LEU 65 3.513 8.950 6.790 516 3HD1 LEU 65 3HD1 LEU 65 3.603 10.633 6.279 517 1HD2 LEU 65 1HD2 LEU 65 5.412 11.515 5.146 518 2HD2 LEU 65 2HD2 LEU 65 4.673 10.612 3.825 519 3HD2 LEU 65 3HD2 LEU 65 6.406 10.472 4.125 520 H ASP 66 H ASP 66 7.853 6.444 7.963 521 HA ASP 66 HA ASP 66 10.597 6.962 7.033 522 1HB ASP 66 2HB ASP 66 9.474 6.433 9.784 523 2HB ASP 66 1HB ASP 66 11.201 6.556 9.456 524 H ASP 67 H ASP 67 8.452 4.358 7.951 525 HA ASP 67 HA ASP 67 10.518 2.394 8.306 526 1HB ASP 67 2HB ASP 67 7.593 1.869 7.765 527 2HB ASP 67 1HB ASP 67 8.752 0.792 8.530 528 H ILE 68 H ILE 68 10.949 0.564 7.032 529 HA ILE 68 HA ILE 68 10.582 0.963 4.132 530 HB ILE 68 HB ILE 68 12.463 -1.072 5.210 531 1HG1 ILE 68 2HG1 ILE 68 12.888 0.998 6.567 532 2HG1 ILE 68 1HG1 ILE 68 14.249 0.455 5.596 533 1HG2 ILE 68 1HG2 ILE 68 12.852 0.857 2.949 534 2HG2 ILE 68 2HG2 ILE 68 11.944 -0.644 2.774 535 3HG2 ILE 68 3HG2 ILE 68 13.653 -0.687 3.224 536 1HD1 ILE 68 1HD1 ILE 68 14.362 2.394 4.575 537 2HD1 ILE 68 2HD1 ILE 68 13.088 2.982 5.652 538 3HD1 ILE 68 3HD1 ILE 68 12.668 2.266 4.094 539 H ALA 69 H ALA 69 9.633 -0.542 2.944 540 HA ALA 69 HA ALA 69 8.519 -2.844 4.399 541 1HB ALA 69 1HB ALA 69 6.966 -1.231 3.273 542 2HB ALA 69 2HB ALA 69 6.787 -2.911 2.783 543 3HB ALA 69 3HB ALA 69 7.628 -1.778 1.743 544 H TYR 70 H TYR 70 8.529 -4.857 3.510 545 HA TYR 70 HA TYR 70 10.656 -5.373 1.546 546 1HB TYR 70 2HB TYR 70 9.572 -7.237 3.671 547 2HB TYR 70 1HB TYR 70 10.962 -7.519 2.635 548 HD1 TYR 70 1HD TYR 70 12.991 -7.330 3.653 549 HD2 TYR 70 2HD TYR 70 9.820 -4.865 5.036 550 HE1 TYR 70 1HE TYR 70 14.478 -6.392 5.370 551 HE2 TYR 70 2HE TYR 70 11.301 -3.907 6.748 552 HH TYR 70 HH TYR 70 14.541 -4.111 6.697 553 H VAL 71 H VAL 71 10.253 -6.949 -0.038 554 HA VAL 71 HA VAL 71 7.493 -7.142 -0.831 555 HB VAL 71 HB VAL 71 9.205 -6.631 -2.479 556 1HG1 VAL 71 1HG1 VAL 71 10.463 -9.067 -1.406 557 2HG1 VAL 71 2HG1 VAL 71 11.196 -7.625 -2.107 558 3HG1 VAL 71 3HG1 VAL 71 10.533 -8.876 -3.155 559 1HG2 VAL 71 1HG2 VAL 71 7.604 -9.136 -2.793 560 2HG2 VAL 71 2HG2 VAL 71 8.660 -8.580 -4.097 561 3HG2 VAL 71 3HG2 VAL 71 7.363 -7.539 -3.506 562 H GLY 72 H GLY 72 6.246 -8.934 -0.870 563 1HA GLY 72 2HA GLY 72 6.129 -11.408 -0.970 564 2HA GLY 72 1HA GLY 72 7.421 -11.423 0.226 565 H LYS 73 H LYS 73 5.682 -8.943 1.314 566 HA LYS 73 HA LYS 73 3.551 -10.474 2.613 567 1HB LYS 73 2HB LYS 73 5.963 -9.414 3.956 568 2HB LYS 73 1HB LYS 73 4.431 -9.112 4.765 569 1HG LYS 73 2HG LYS 73 5.347 -11.817 3.861 570 2HG LYS 73 1HG LYS 73 5.592 -11.185 5.492 571 1HD LYS 73 2HD LYS 73 3.148 -10.945 5.756 572 2HD LYS 73 1HD LYS 73 2.918 -11.570 4.123 573 1HE LYS 73 2HE LYS 73 4.369 -13.119 6.241 574 2HE LYS 73 1HE LYS 73 2.617 -13.211 6.047 575 1HZ LYS 73 1HZ LYS 73 3.925 -13.540 3.553 576 2HZ LYS 73 2HZ LYS 73 2.869 -14.592 4.354 577 3HZ LYS 73 3HZ LYS 73 4.526 -14.651 4.682 578 HA PRO 74 HA PRO 74 1.542 -6.555 1.848 579 1HB PRO 74 2HB PRO 74 -0.704 -7.522 3.444 580 2HB PRO 74 1HB PRO 74 -0.629 -7.217 1.706 581 1HG PRO 74 2HG PRO 74 -0.828 -9.700 2.785 582 2HG PRO 74 1HG PRO 74 -0.056 -9.370 1.222 583 1HD PRO 74 2HD PRO 74 1.187 -9.875 3.892 584 2HD PRO 74 1HD PRO 74 1.699 -10.421 2.282 585 H LEU 75 H LEU 75 1.185 -4.662 3.019 586 HA LEU 75 HA LEU 75 1.699 -4.931 5.897 587 1HB LEU 75 2HB LEU 75 2.352 -2.506 5.816 588 2HB LEU 75 1HB LEU 75 3.449 -3.629 5.045 589 HG LEU 75 HG LEU 75 2.958 -1.373 3.898 590 1HD1 LEU 75 1HD1 LEU 75 3.496 -2.233 1.829 591 2HD1 LEU 75 2HD1 LEU 75 2.544 -3.695 2.061 592 3HD1 LEU 75 3HD1 LEU 75 4.061 -3.483 2.929 593 1HD2 LEU 75 1HD2 LEU 75 1.049 -1.212 2.514 594 2HD2 LEU 75 2HD2 LEU 75 0.467 -1.620 4.128 595 3HD2 LEU 75 3HD2 LEU 75 0.556 -2.859 2.879 596 H VAL 76 H VAL 76 -0.690 -4.061 3.621 597 HA VAL 76 HA VAL 76 -2.291 -2.988 5.847 598 HB VAL 76 HB VAL 76 -1.484 -1.059 4.592 599 1HG1 VAL 76 1HG1 VAL 76 -1.280 -1.085 2.377 600 2HG1 VAL 76 2HG1 VAL 76 -3.007 -1.382 2.182 601 3HG1 VAL 76 3HG1 VAL 76 -1.896 -2.735 2.377 602 1HG2 VAL 76 1HG2 VAL 76 -3.904 -1.275 5.534 603 2HG2 VAL 76 2HG2 VAL 76 -4.368 -1.332 3.842 604 3HG2 VAL 76 3HG2 VAL 76 -3.524 0.077 4.472 605 H ASP 77 H ASP 77 -4.546 -3.048 5.565 606 HA ASP 77 HA ASP 77 -5.520 -4.990 3.581 607 1HB ASP 77 2HB ASP 77 -6.632 -4.713 6.370 608 2HB ASP 77 1HB ASP 77 -6.908 -6.013 5.222 609 H ILE 78 H ILE 78 -6.985 -4.091 2.262 610 HA ILE 78 HA ILE 78 -8.744 -1.979 3.345 611 HB ILE 78 HB ILE 78 -7.713 -1.661 0.562 612 1HG1 ILE 78 2HG1 ILE 78 -5.975 -0.045 1.789 613 2HG1 ILE 78 1HG1 ILE 78 -6.130 -1.257 3.059 614 1HG2 ILE 78 1HG2 ILE 78 -8.812 0.092 2.696 615 2HG2 ILE 78 2HG2 ILE 78 -9.378 -0.165 1.051 616 3HG2 ILE 78 3HG2 ILE 78 -7.912 0.771 1.341 617 1HD1 ILE 78 1HD1 ILE 78 -4.699 -2.545 2.001 618 2HD1 ILE 78 2HD1 ILE 78 -4.561 -1.351 0.706 619 3HD1 ILE 78 3HD1 ILE 78 -5.783 -2.626 0.609 620 H GLU 79 H GLU 79 -10.785 -1.746 2.285 621 HA GLU 79 HA GLU 79 -11.525 -4.074 0.654 622 1HB GLU 79 2HB GLU 79 -13.245 -2.090 2.174 623 2HB GLU 79 1HB GLU 79 -13.879 -3.397 1.181 624 1HG GLU 79 2HG GLU 79 -12.874 -5.039 2.633 625 2HG GLU 79 1HG GLU 79 -12.106 -3.769 3.582 626 H THR 80 H THR 80 -11.450 -3.735 -1.450 627 HA THR 80 HA THR 80 -12.630 -1.297 -2.522 628 HB THR 80 HB THR 80 -10.688 -1.385 -4.281 629 HG1 THR 80 1HG THR 80 -9.254 -2.843 -3.721 630 1HG2 THR 80 1HG2 THR 80 -11.274 0.331 -2.339 631 2HG2 THR 80 2HG2 THR 80 -9.780 0.463 -3.269 632 3HG2 THR 80 3HG2 THR 80 -9.762 -0.284 -1.672 633 H GLU 81 H GLU 81 -13.174 -1.506 -4.844 634 HA GLU 81 HA GLU 81 -14.472 -3.915 -5.430 635 1HB GLU 81 2HB GLU 81 -13.650 -1.528 -7.069 636 2HB GLU 81 1HB GLU 81 -14.337 -2.939 -7.864 637 1HG GLU 81 2HG GLU 81 -16.262 -1.840 -7.509 638 2HG GLU 81 1HG GLU 81 -16.155 -2.624 -5.940 639 H ALA 82 H ALA 82 -13.922 -5.694 -6.657 640 HA ALA 82 HA ALA 82 -11.488 -6.823 -6.537 641 1HB ALA 82 1HB ALA 82 -13.078 -8.264 -7.269 642 2HB ALA 82 2HB ALA 82 -12.232 -7.961 -8.786 643 3HB ALA 82 3HB ALA 82 -13.740 -7.121 -8.437 644 H LEU 83 H LEU 83 -9.517 -6.226 -7.195 645 HA LEU 83 HA LEU 83 -9.255 -4.825 -9.777 646 1HB LEU 83 2HB LEU 83 -8.401 -4.127 -7.160 647 2HB LEU 83 1HB LEU 83 -6.981 -4.430 -8.135 648 HG LEU 83 HG LEU 83 -7.860 -2.794 -9.810 649 1HD1 LEU 83 1HD1 LEU 83 -10.096 -2.794 -7.929 650 2HD1 LEU 83 2HD1 LEU 83 -10.026 -2.293 -9.616 651 3HD1 LEU 83 3HD1 LEU 83 -9.518 -1.181 -8.348 652 1HD2 LEU 83 1HD2 LEU 83 -6.849 -2.231 -7.114 653 2HD2 LEU 83 2HD2 LEU 83 -7.607 -0.853 -7.907 654 3HD2 LEU 83 3HD2 LEU 83 -6.260 -1.681 -8.682 655 H LYS 84 H LYS 84 -7.847 -5.644 -11.260 656 HA LYS 84 HA LYS 84 -7.050 -8.271 -11.249 657 1HB LYS 84 2HB LYS 84 -5.493 -7.697 -13.058 658 2HB LYS 84 1HB LYS 84 -7.069 -6.956 -13.279 659 1HG LYS 84 2HG LYS 84 -6.052 -4.871 -12.233 660 2HG LYS 84 1HG LYS 84 -4.488 -5.666 -12.458 661 1HD LYS 84 2HD LYS 84 -6.337 -5.573 -14.787 662 2HD LYS 84 1HD LYS 84 -5.552 -4.068 -14.304 663 1HE LYS 84 2HE LYS 84 -4.056 -6.637 -14.831 664 2HE LYS 84 1HE LYS 84 -4.310 -5.392 -16.056 665 1HZ LYS 84 1HZ LYS 84 -2.298 -5.514 -14.144 666 2HZ LYS 84 2HZ LYS 84 -3.297 -4.225 -13.696 667 3HZ LYS 84 3HZ LYS 84 -2.605 -4.257 -15.237 668 H ASP 85 H ASP 85 -5.099 -5.479 -10.263 669 HA ASP 85 HA ASP 85 -2.616 -6.476 -10.019 670 1HB ASP 85 2HB ASP 85 -2.451 -5.083 -7.837 671 2HB ASP 85 1HB ASP 85 -2.852 -4.249 -9.336 672 H LEU 86 H LEU 86 -5.161 -7.009 -7.574 673 HA LEU 86 HA LEU 86 -3.457 -9.163 -6.485 674 1HB LEU 86 2HB LEU 86 -3.996 -7.026 -5.074 675 2HB LEU 86 1HB LEU 86 -5.545 -7.803 -4.822 676 HG LEU 86 HG LEU 86 -4.220 -9.820 -3.972 677 1HD1 LEU 86 1HD1 LEU 86 -2.004 -9.758 -3.987 678 2HD1 LEU 86 2HD1 LEU 86 -1.998 -8.234 -3.096 679 3HD1 LEU 86 3HD1 LEU 86 -2.091 -8.227 -4.858 680 1HD2 LEU 86 1HD2 LEU 86 -4.386 -7.161 -2.594 681 2HD2 LEU 86 2HD2 LEU 86 -3.830 -8.607 -1.745 682 3HD2 LEU 86 3HD2 LEU 86 -5.456 -8.551 -2.437 683 H GLU 87 H GLU 87 -6.587 -8.303 -7.696 684 HA GLU 87 HA GLU 87 -7.358 -11.119 -7.524 685 1HB GLU 87 2HB GLU 87 -9.064 -8.808 -6.578 686 2HB GLU 87 1HB GLU 87 -9.688 -10.420 -6.894 687 1HG GLU 87 2HG GLU 87 -8.481 -11.361 -5.121 688 2HG GLU 87 1HG GLU 87 -7.458 -9.935 -4.952 Start of MODEL 14 1 1H MET 1 1HT MET 1 17.616 10.812 3.085 2 2H MET 1 2HT MET 1 16.538 9.708 2.393 3 3H MET 1 3HT MET 1 18.019 10.027 1.641 4 HA MET 1 HA MET 1 17.888 7.876 2.890 5 1HB MET 1 2HB MET 1 20.149 8.321 3.985 6 2HB MET 1 1HB MET 1 20.022 8.679 2.268 7 1HG MET 1 2HG MET 1 19.485 10.874 4.189 8 2HG MET 1 1HG MET 1 21.153 10.346 3.972 9 1HE MET 1 1HE MET 1 19.283 12.910 3.517 10 2HE MET 1 2HE MET 1 19.342 13.550 1.874 11 3HE MET 1 3HE MET 1 20.800 13.531 2.865 12 H GLY 2 H GLY 2 16.449 7.331 4.447 13 1HA GLY 2 2HA GLY 2 16.462 6.893 6.876 14 2HA GLY 2 1HA GLY 2 16.818 8.601 7.090 15 H GLN 3 H GLN 3 14.573 7.809 4.614 16 HA GLN 3 HA GLN 3 12.317 8.429 6.397 17 1HB GLN 3 2HB GLN 3 11.327 9.781 4.568 18 2HB GLN 3 1HB GLN 3 12.826 10.458 5.189 19 1HG GLN 3 2HG GLN 3 13.713 10.446 3.167 20 2HG GLN 3 1HG GLN 3 13.427 8.713 3.016 21 1HE2 GLN 3 1HE2 GLN 3 12.061 8.069 1.504 22 2HE2 GLN 3 2HE2 GLN 3 10.912 9.067 0.686 23 H VAL 4 H VAL 4 10.270 7.606 5.725 24 HA VAL 4 HA VAL 4 10.505 5.334 3.864 25 HB VAL 4 HB VAL 4 8.736 4.206 5.097 26 1HG1 VAL 4 1HG1 VAL 4 10.341 3.319 6.328 27 2HG1 VAL 4 2HG1 VAL 4 10.222 4.662 7.465 28 3HG1 VAL 4 3HG1 VAL 4 11.330 4.761 6.096 29 1HG2 VAL 4 1HG2 VAL 4 8.207 5.290 7.419 30 2HG2 VAL 4 2HG2 VAL 4 7.309 5.768 5.979 31 3HG2 VAL 4 3HG2 VAL 4 8.615 6.788 6.582 32 H VAL 5 H VAL 5 8.885 4.914 2.417 33 HA VAL 5 HA VAL 5 7.108 7.163 1.805 34 HB VAL 5 HB VAL 5 6.795 6.081 -0.383 35 1HG1 VAL 5 1HG1 VAL 5 9.447 6.046 -0.897 36 2HG1 VAL 5 2HG1 VAL 5 9.424 6.916 0.637 37 3HG1 VAL 5 3HG1 VAL 5 8.490 7.518 -0.733 38 1HG2 VAL 5 1HG2 VAL 5 6.995 3.759 0.189 39 2HG2 VAL 5 2HG2 VAL 5 8.659 3.986 0.729 40 3HG2 VAL 5 3HG2 VAL 5 8.260 4.142 -0.981 41 H GLN 6 H GLN 6 5.027 7.014 2.370 42 HA GLN 6 HA GLN 6 3.998 4.384 3.118 43 1HB GLN 6 2HB GLN 6 3.039 7.165 3.764 44 2HB GLN 6 1HB GLN 6 2.182 5.705 4.235 45 1HG GLN 6 2HG GLN 6 3.421 5.567 6.054 46 2HG GLN 6 1HG GLN 6 4.865 5.403 5.056 47 1HE2 GLN 6 1HE2 GLN 6 2.723 8.192 5.370 48 2HE2 GLN 6 2HE2 GLN 6 3.916 9.259 6.018 49 H PHE 7 H PHE 7 2.193 3.484 2.291 50 HA PHE 7 HA PHE 7 1.102 4.729 -0.129 51 1HB PHE 7 2HB PHE 7 1.931 2.592 -0.687 52 2HB PHE 7 1HB PHE 7 1.338 1.872 0.804 53 HD1 PHE 7 1HD PHE 7 0.051 3.540 -2.276 54 HD2 PHE 7 2HD PHE 7 -0.549 0.581 0.721 55 HE1 PHE 7 1HE PHE 7 -1.974 2.775 -3.442 56 HE2 PHE 7 2HE PHE 7 -2.571 -0.190 -0.438 57 HZ PHE 7 HZ PHE 7 -3.290 0.905 -2.524 58 H LYS 8 H LYS 8 -0.847 5.607 0.003 59 HA LYS 8 HA LYS 8 -2.589 4.849 2.249 60 1HB LYS 8 2HB LYS 8 -3.527 7.041 2.171 61 2HB LYS 8 1HB LYS 8 -1.781 7.231 2.109 62 1HG LYS 8 2HG LYS 8 -2.929 7.050 -0.541 63 2HG LYS 8 1HG LYS 8 -3.635 8.364 0.399 64 1HD LYS 8 2HD LYS 8 -0.704 7.894 -0.138 65 2HD LYS 8 1HD LYS 8 -1.709 9.178 -0.813 66 1HE LYS 8 2HE LYS 8 -1.244 10.464 0.933 67 2HE LYS 8 1HE LYS 8 -1.958 9.266 2.012 68 1HZ LYS 8 1HZ LYS 8 0.848 9.742 1.356 69 2HZ LYS 8 2HZ LYS 8 0.381 8.139 1.628 70 3HZ LYS 8 3HZ LYS 8 0.141 9.306 2.830 71 H LEU 9 H LEU 9 -4.759 4.387 1.905 72 HA LEU 9 HA LEU 9 -5.474 3.072 -0.438 73 1HB LEU 9 2HB LEU 9 -6.614 2.780 1.721 74 2HB LEU 9 1HB LEU 9 -7.263 4.401 1.609 75 HG LEU 9 HG LEU 9 -8.933 2.651 1.099 76 1HD1 LEU 9 1HD1 LEU 9 -8.458 4.116 -1.447 77 2HD1 LEU 9 2HD1 LEU 9 -8.822 5.007 0.029 78 3HD1 LEU 9 3HD1 LEU 9 -9.967 3.814 -0.586 79 1HD2 LEU 9 1HD2 LEU 9 -6.836 1.694 -0.635 80 2HD2 LEU 9 2HD2 LEU 9 -8.369 1.900 -1.489 81 3HD2 LEU 9 3HD2 LEU 9 -8.292 0.884 -0.046 82 H SER 10 H SER 10 -5.634 3.920 -2.412 83 HA SER 10 HA SER 10 -7.011 6.496 -2.726 84 1HB SER 10 2HB SER 10 -4.285 6.224 -3.043 85 2HB SER 10 1HB SER 10 -4.884 6.053 -4.692 86 HG SER 10 HG SER 10 -5.207 8.118 -4.703 87 H ASP 11 H ASP 11 -8.750 4.926 -3.175 88 HA ASP 11 HA ASP 11 -8.722 4.161 -6.013 89 1HB ASP 11 2HB ASP 11 -9.404 2.522 -3.632 90 2HB ASP 11 1HB ASP 11 -10.439 2.336 -5.045 91 H ILE 12 H ILE 12 -10.649 5.043 -3.193 92 HA ILE 12 HA ILE 12 -12.731 6.072 -5.003 93 HB ILE 12 HB ILE 12 -14.158 5.805 -2.788 94 1HG1 ILE 12 2HG1 ILE 12 -12.129 4.889 -1.562 95 2HG1 ILE 12 1HG1 ILE 12 -13.604 3.939 -1.438 96 1HG2 ILE 12 1HG2 ILE 12 -14.935 4.819 -4.753 97 2HG2 ILE 12 2HG2 ILE 12 -14.782 3.473 -3.623 98 3HG2 ILE 12 3HG2 ILE 12 -13.551 3.730 -4.861 99 1HD1 ILE 12 1HD1 ILE 12 -11.112 2.994 -2.120 100 2HD1 ILE 12 2HD1 ILE 12 -11.940 3.123 -3.674 101 3HD1 ILE 12 3HD1 ILE 12 -12.648 2.163 -2.376 102 H GLY 13 H GLY 13 -14.212 7.619 -3.450 103 1HA GLY 13 2HA GLY 13 -12.310 9.568 -2.303 104 2HA GLY 13 1HA GLY 13 -13.754 10.027 -3.194 105 H GLU 14 H GLU 14 -12.689 10.381 -0.308 106 HA GLU 14 HA GLU 14 -14.164 9.090 1.585 107 1HB GLU 14 2HB GLU 14 -14.150 11.292 2.853 108 2HB GLU 14 1HB GLU 14 -12.587 10.689 2.319 109 1HG GLU 14 2HG GLU 14 -12.233 12.435 0.969 110 2HG GLU 14 1HG GLU 14 -13.905 12.471 0.411 111 H GLY 15 H GLY 15 -16.268 8.552 1.394 112 1HA GLY 15 2HA GLY 15 -18.375 10.085 1.986 113 2HA GLY 15 1HA GLY 15 -18.168 10.456 0.283 114 H ILE 16 H ILE 16 -17.181 7.516 0.038 115 HA ILE 16 HA ILE 16 -19.854 6.290 0.080 116 HB ILE 16 HB ILE 16 -19.535 5.275 -2.019 117 1HG1 ILE 16 2HG1 ILE 16 -17.078 4.719 -1.641 118 2HG1 ILE 16 1HG1 ILE 16 -17.505 5.202 -3.278 119 1HG2 ILE 16 1HG2 ILE 16 -19.510 7.096 -3.472 120 2HG2 ILE 16 2HG2 ILE 16 -18.339 7.979 -2.493 121 3HG2 ILE 16 3HG2 ILE 16 -19.995 7.783 -1.922 122 1HD1 ILE 16 1HD1 ILE 16 -15.867 6.667 -3.171 123 2HD1 ILE 16 2HD1 ILE 16 -15.629 6.359 -1.450 124 3HD1 ILE 16 3HD1 ILE 16 -16.813 7.558 -1.981 125 H ARG 17 H ARG 17 -19.042 3.782 -0.897 126 HA ARG 17 HA ARG 17 -18.177 2.529 1.475 127 1HB ARG 17 2HB ARG 17 -18.823 1.677 -1.293 128 2HB ARG 17 1HB ARG 17 -17.804 0.593 -0.357 129 1HG ARG 17 2HG ARG 17 -19.487 -0.036 0.992 130 2HG ARG 17 1HG ARG 17 -20.199 1.578 1.034 131 1HD ARG 17 2HD ARG 17 -21.793 0.376 -0.130 132 2HD ARG 17 1HD ARG 17 -20.836 1.078 -1.434 133 HE ARG 17 HE ARG 17 -19.875 -1.497 -0.681 134 1HH1 ARG 17 1HH1 ARG 17 -22.356 0.135 -2.500 135 2HH1 ARG 17 2HH1 ARG 17 -22.594 -1.179 -3.603 136 1HH2 ARG 17 1HH2 ARG 17 -20.179 -3.233 -2.131 137 2HH2 ARG 17 2HH2 ARG 17 -21.357 -3.093 -3.393 138 H GLU 18 H GLU 18 -16.245 1.327 1.838 139 HA GLU 18 HA GLU 18 -13.917 2.570 0.576 140 1HB GLU 18 2HB GLU 18 -14.263 1.006 3.133 141 2HB GLU 18 1HB GLU 18 -12.696 1.521 2.523 142 1HG GLU 18 2HG GLU 18 -12.979 3.588 3.286 143 2HG GLU 18 1HG GLU 18 -14.601 3.699 2.599 144 H VAL 19 H VAL 19 -11.917 0.933 0.462 145 HA VAL 19 HA VAL 19 -13.011 -1.460 -0.889 146 HB VAL 19 HB VAL 19 -11.957 0.200 -2.405 147 1HG1 VAL 19 1HG1 VAL 19 -10.185 0.968 -0.926 148 2HG1 VAL 19 2HG1 VAL 19 -9.525 0.374 -2.450 149 3HG1 VAL 19 3HG1 VAL 19 -9.424 -0.622 -0.997 150 1HG2 VAL 19 1HG2 VAL 19 -12.024 -2.416 -2.646 151 2HG2 VAL 19 2HG2 VAL 19 -10.273 -2.256 -2.513 152 3HG2 VAL 19 3HG2 VAL 19 -11.139 -1.422 -3.803 153 H THR 20 H THR 20 -12.011 -3.419 -0.765 154 HA THR 20 HA THR 20 -10.358 -3.814 1.618 155 HB THR 20 HB THR 20 -11.317 -6.135 0.036 156 HG1 THR 20 1HG THR 20 -13.345 -5.591 0.137 157 1HG2 THR 20 1HG2 THR 20 -11.679 -7.108 2.204 158 2HG2 THR 20 2HG2 THR 20 -11.461 -5.548 2.993 159 3HG2 THR 20 3HG2 THR 20 -10.096 -6.332 2.199 160 H VAL 21 H VAL 21 -8.560 -5.285 1.547 161 HA VAL 21 HA VAL 21 -6.929 -4.871 -0.799 162 HB VAL 21 HB VAL 21 -6.283 -6.541 1.634 163 1HG1 VAL 21 1HG1 VAL 21 -4.552 -7.089 0.306 164 2HG1 VAL 21 2HG1 VAL 21 -3.945 -5.494 0.749 165 3HG1 VAL 21 3HG1 VAL 21 -4.810 -5.717 -0.772 166 1HG2 VAL 21 1HG2 VAL 21 -4.909 -4.214 1.954 167 2HG2 VAL 21 2HG2 VAL 21 -6.444 -4.589 2.739 168 3HG2 VAL 21 3HG2 VAL 21 -6.421 -3.633 1.257 169 H LYS 22 H LYS 22 -6.674 -6.231 -2.455 170 HA LYS 22 HA LYS 22 -8.074 -8.774 -2.394 171 1HB LYS 22 2HB LYS 22 -7.729 -6.876 -4.347 172 2HB LYS 22 1HB LYS 22 -6.574 -8.113 -4.824 173 1HG LYS 22 2HG LYS 22 -9.131 -9.256 -4.093 174 2HG LYS 22 1HG LYS 22 -9.279 -8.068 -5.389 175 1HD LYS 22 2HD LYS 22 -7.549 -9.240 -6.662 176 2HD LYS 22 1HD LYS 22 -7.393 -10.424 -5.362 177 1HE LYS 22 2HE LYS 22 -8.823 -11.561 -6.725 178 2HE LYS 22 1HE LYS 22 -9.997 -10.666 -5.763 179 1HZ LYS 22 1HZ LYS 22 -9.221 -10.304 -8.558 180 2HZ LYS 22 2HZ LYS 22 -9.628 -8.917 -7.681 181 3HZ LYS 22 3HZ LYS 22 -10.745 -10.178 -7.834 182 H GLU 23 H GLU 23 -4.770 -7.569 -2.638 183 HA GLU 23 HA GLU 23 -3.832 -10.291 -2.108 184 1HB GLU 23 2HB GLU 23 -2.954 -8.532 -4.381 185 2HB GLU 23 1HB GLU 23 -1.905 -9.788 -3.738 186 1HG GLU 23 2HG GLU 23 -4.687 -10.493 -4.524 187 2HG GLU 23 1HG GLU 23 -3.474 -10.248 -5.780 188 H TRP 24 H TRP 24 -2.238 -10.420 -0.669 189 HA TRP 24 HA TRP 24 -0.792 -7.965 0.078 190 1HB TRP 24 2HB TRP 24 -2.386 -9.814 1.757 191 2HB TRP 24 1HB TRP 24 -0.838 -9.316 2.428 192 HD1 TRP 24 HD TRP 24 -4.290 -8.332 2.498 193 HE1 TRP 24 1HE TRP 24 -4.580 -5.872 3.190 194 HE3 TRP 24 3HE TRP 24 0.512 -6.739 1.815 195 HZ2 TRP 24 2HZ TRP 24 -2.981 -3.556 3.408 196 HZ3 TRP 24 3HZ TRP 24 1.051 -4.384 2.284 197 HH2 TRP 24 HH TRP 24 -0.661 -2.827 3.064 198 H TYR 25 H TYR 25 1.319 -8.247 -0.321 199 HA TYR 25 HA TYR 25 2.433 -10.952 0.077 200 1HB TYR 25 2HB TYR 25 2.846 -8.992 -2.149 201 2HB TYR 25 1HB TYR 25 4.131 -10.121 -1.733 202 HD1 TYR 25 1HD TYR 25 1.556 -9.639 -3.935 203 HD2 TYR 25 2HD TYR 25 3.083 -12.638 -1.331 204 HE1 TYR 25 1HE TYR 25 0.469 -11.370 -5.301 205 HE2 TYR 25 2HE TYR 25 1.999 -14.377 -2.691 206 HH TYR 25 HH TYR 25 1.200 -14.324 -5.451 207 H VAL 26 H VAL 26 2.374 -8.981 2.100 208 HA VAL 26 HA VAL 26 5.197 -8.832 2.673 209 HB VAL 26 HB VAL 26 5.338 -6.455 3.023 210 1HG1 VAL 26 1HG1 VAL 26 5.823 -7.310 0.775 211 2HG1 VAL 26 2HG1 VAL 26 5.219 -5.653 0.750 212 3HG1 VAL 26 3HG1 VAL 26 4.154 -6.982 0.306 213 1HG2 VAL 26 1HG2 VAL 26 3.531 -5.218 3.424 214 2HG2 VAL 26 2HG2 VAL 26 2.497 -6.590 3.029 215 3HG2 VAL 26 3HG2 VAL 26 2.994 -5.469 1.762 216 H LYS 27 H LYS 27 5.575 -7.855 4.886 217 HA LYS 27 HA LYS 27 3.265 -7.940 6.653 218 1HB LYS 27 2HB LYS 27 5.389 -10.007 6.569 219 2HB LYS 27 1HB LYS 27 4.896 -9.452 8.163 220 1HG LYS 27 2HG LYS 27 2.808 -10.247 6.193 221 2HG LYS 27 1HG LYS 27 3.723 -11.496 7.040 222 1HD LYS 27 2HD LYS 27 2.991 -10.700 9.164 223 2HD LYS 27 1HD LYS 27 2.303 -9.241 8.448 224 1HE LYS 27 2HE LYS 27 0.569 -10.475 7.393 225 2HE LYS 27 1HE LYS 27 1.349 -12.012 7.765 226 1HZ LYS 27 1HZ LYS 27 0.207 -10.132 9.761 227 2HZ LYS 27 2HZ LYS 27 0.938 -11.617 10.110 228 3HZ LYS 27 3HZ LYS 27 -0.513 -11.572 9.242 229 H GLU 28 H GLU 28 3.753 -7.164 8.831 230 HA GLU 28 HA GLU 28 5.222 -4.810 8.860 231 1HB GLU 28 2HB GLU 28 4.802 -6.418 11.367 232 2HB GLU 28 1HB GLU 28 4.763 -4.674 11.162 233 1HG GLU 28 2HG GLU 28 2.554 -4.889 11.190 234 2HG GLU 28 1HG GLU 28 2.721 -5.493 9.542 235 H GLY 29 H GLY 29 7.315 -4.279 9.247 236 1HA GLY 29 2HA GLY 29 9.542 -4.527 9.801 237 2HA GLY 29 1HA GLY 29 9.118 -6.012 10.641 238 H ASP 30 H ASP 30 7.898 -6.189 7.553 239 HA ASP 30 HA ASP 30 10.067 -7.959 6.744 240 1HB ASP 30 2HB ASP 30 7.486 -8.480 6.739 241 2HB ASP 30 1HB ASP 30 7.531 -7.646 5.187 242 H THR 31 H THR 31 10.918 -7.927 4.609 243 HA THR 31 HA THR 31 11.062 -5.214 3.517 244 HB THR 31 HB THR 31 12.820 -7.458 2.594 245 HG1 THR 31 1HG THR 31 14.251 -6.909 4.320 246 1HG2 THR 31 1HG2 THR 31 13.325 -4.508 2.985 247 2HG2 THR 31 2HG2 THR 31 12.843 -5.251 1.460 248 3HG2 THR 31 3HG2 THR 31 14.393 -5.666 2.193 249 H VAL 32 H VAL 32 10.879 -4.839 1.288 250 HA VAL 32 HA VAL 32 9.253 -6.830 -0.130 251 HB VAL 32 HB VAL 32 8.911 -4.478 -1.528 252 1HG1 VAL 32 1HG1 VAL 32 7.378 -6.322 -0.071 253 2HG1 VAL 32 2HG1 VAL 32 6.824 -5.152 -1.270 254 3HG1 VAL 32 3HG1 VAL 32 6.867 -4.715 0.437 255 1HG2 VAL 32 1HG2 VAL 32 9.992 -3.140 0.189 256 2HG2 VAL 32 2HG2 VAL 32 8.902 -3.796 1.410 257 3HG2 VAL 32 3HG2 VAL 32 8.268 -2.778 0.117 258 H SER 33 H SER 33 9.413 -6.697 -2.533 259 HA SER 33 HA SER 33 12.121 -6.006 -3.442 260 1HB SER 33 2HB SER 33 10.872 -8.651 -3.343 261 2HB SER 33 1HB SER 33 11.459 -8.229 -4.952 262 HG SER 33 HG SER 33 13.385 -8.618 -4.245 263 H GLN 34 H GLN 34 12.249 -5.888 -5.855 264 HA GLN 34 HA GLN 34 10.356 -4.134 -6.878 265 1HB GLN 34 2HB GLN 34 11.485 -4.299 -8.958 266 2HB GLN 34 1HB GLN 34 12.708 -4.512 -7.713 267 1HG GLN 34 2HG GLN 34 12.240 -7.045 -8.069 268 2HG GLN 34 1HG GLN 34 11.565 -6.510 -9.608 269 1HE2 GLN 34 1HE2 GLN 34 14.459 -6.362 -7.594 270 2HE2 GLN 34 2HE2 GLN 34 15.581 -6.242 -8.902 271 H PHE 35 H PHE 35 10.416 -7.623 -6.928 272 HA PHE 35 HA PHE 35 8.121 -7.689 -8.743 273 1HB PHE 35 2HB PHE 35 10.284 -9.532 -8.079 274 2HB PHE 35 1HB PHE 35 8.705 -10.312 -8.085 275 HD1 PHE 35 1HD PHE 35 7.332 -8.821 -10.223 276 HD2 PHE 35 2HD PHE 35 11.318 -10.297 -10.004 277 HE1 PHE 35 1HE PHE 35 7.411 -8.961 -12.679 278 HE2 PHE 35 2HE PHE 35 11.405 -10.439 -12.459 279 HZ PHE 35 HZ PHE 35 9.450 -9.770 -13.799 280 H ASP 36 H ASP 36 8.868 -7.896 -5.405 281 HA ASP 36 HA ASP 36 6.399 -9.317 -4.773 282 1HB ASP 36 2HB ASP 36 8.923 -8.792 -3.395 283 2HB ASP 36 1HB ASP 36 7.517 -8.543 -2.365 284 H SER 37 H SER 37 4.805 -7.846 -5.326 285 HA SER 37 HA SER 37 4.764 -5.128 -4.675 286 1HB SER 37 2HB SER 37 2.178 -5.521 -4.806 287 2HB SER 37 1HB SER 37 3.164 -5.731 -6.253 288 HG SER 37 HG SER 37 2.456 -7.695 -6.303 289 H ILE 38 H ILE 38 3.387 -4.026 -3.106 290 HA ILE 38 HA ILE 38 3.618 -5.295 -0.493 291 HB ILE 38 HB ILE 38 2.845 -2.456 -1.174 292 1HG1 ILE 38 2HG1 ILE 38 5.475 -3.753 -0.482 293 2HG1 ILE 38 1HG1 ILE 38 5.086 -2.796 -1.902 294 1HG2 ILE 38 1HG2 ILE 38 3.672 -3.664 1.467 295 2HG2 ILE 38 2HG2 ILE 38 2.021 -3.241 1.017 296 3HG2 ILE 38 3HG2 ILE 38 3.243 -1.979 1.170 297 1HD1 ILE 38 1HD1 ILE 38 5.986 -1.067 -0.865 298 2HD1 ILE 38 2HD1 ILE 38 6.116 -1.968 0.647 299 3HD1 ILE 38 3HD1 ILE 38 4.626 -1.105 0.258 300 H CYS 39 H CYS 39 1.121 -3.088 -1.734 301 HA CYS 39 HA CYS 39 -0.918 -4.969 -0.745 302 1HB CYS 39 2HB CYS 39 -0.622 -2.904 0.664 303 2HB CYS 39 1HB CYS 39 -1.139 -1.956 -0.724 304 HG CYS 39 HG CYS 39 -3.368 -1.991 0.789 305 H GLU 40 H GLU 40 -2.736 -5.267 -1.975 306 HA GLU 40 HA GLU 40 -2.998 -3.729 -4.457 307 1HB GLU 40 2HB GLU 40 -3.485 -6.673 -4.572 308 2HB GLU 40 1HB GLU 40 -3.026 -5.566 -5.858 309 1HG GLU 40 2HG GLU 40 -0.777 -5.394 -4.639 310 2HG GLU 40 1HG GLU 40 -1.297 -6.839 -3.772 311 H VAL 41 H VAL 41 -5.016 -3.012 -4.696 312 HA VAL 41 HA VAL 41 -7.181 -4.493 -3.354 313 HB VAL 41 HB VAL 41 -8.305 -2.417 -2.843 314 1HG1 VAL 41 1HG1 VAL 41 -7.160 -2.508 -0.943 315 2HG1 VAL 41 2HG1 VAL 41 -5.972 -1.414 -1.654 316 3HG1 VAL 41 3HG1 VAL 41 -5.748 -3.159 -1.775 317 1HG2 VAL 41 1HG2 VAL 41 -6.690 -0.310 -3.188 318 2HG2 VAL 41 2HG2 VAL 41 -7.898 -0.801 -4.376 319 3HG2 VAL 41 3HG2 VAL 41 -6.211 -1.271 -4.588 320 H GLN 42 H GLN 42 -9.117 -4.691 -4.409 321 HA GLN 42 HA GLN 42 -9.263 -3.601 -7.141 322 1HB GLN 42 2HB GLN 42 -10.016 -6.383 -6.226 323 2HB GLN 42 1HB GLN 42 -10.398 -5.724 -7.811 324 1HG GLN 42 2HG GLN 42 -7.720 -5.291 -7.686 325 2HG GLN 42 1HG GLN 42 -7.879 -6.786 -6.764 326 1HE2 GLN 42 1HE2 GLN 42 -6.863 -6.000 -9.541 327 2HE2 GLN 42 2HE2 GLN 42 -7.592 -7.169 -10.583 328 H SER 43 H SER 43 -10.961 -2.308 -7.347 329 HA SER 43 HA SER 43 -13.370 -2.892 -5.753 330 1HB SER 43 2HB SER 43 -11.790 -0.642 -5.533 331 2HB SER 43 1HB SER 43 -13.075 -0.108 -6.615 332 HG SER 43 HG SER 43 -13.383 -1.272 -4.045 333 H ASP 44 H ASP 44 -15.394 -2.434 -6.713 334 HA ASP 44 HA ASP 44 -15.734 -3.228 -9.325 335 1HB ASP 44 2HB ASP 44 -17.988 -1.965 -9.127 336 2HB ASP 44 1HB ASP 44 -17.664 -3.284 -8.005 337 H LYS 45 H LYS 45 -15.102 -0.022 -8.075 338 HA LYS 45 HA LYS 45 -15.683 1.362 -10.505 339 1HB LYS 45 2HB LYS 45 -15.765 2.539 -8.383 340 2HB LYS 45 1HB LYS 45 -14.070 2.180 -8.081 341 1HG LYS 45 2HG LYS 45 -13.963 3.451 -10.497 342 2HG LYS 45 1HG LYS 45 -15.288 4.290 -9.688 343 1HD LYS 45 2HD LYS 45 -13.899 5.320 -8.267 344 2HD LYS 45 1HD LYS 45 -13.004 3.835 -7.939 345 1HE LYS 45 2HE LYS 45 -11.319 4.770 -9.065 346 2HE LYS 45 1HE LYS 45 -12.267 4.460 -10.519 347 1HZ LYS 45 1HZ LYS 45 -11.718 6.715 -10.608 348 2HZ LYS 45 2HZ LYS 45 -12.062 6.972 -8.972 349 3HZ LYS 45 3HZ LYS 45 -13.321 6.703 -10.068 350 H ALA 46 H ALA 46 -12.575 0.809 -8.836 351 HA ALA 46 HA ALA 46 -11.306 0.231 -11.390 352 1HB ALA 46 1HB ALA 46 -10.169 2.130 -11.624 353 2HB ALA 46 2HB ALA 46 -9.663 2.113 -9.934 354 3HB ALA 46 3HB ALA 46 -11.217 2.815 -10.382 355 H SER 47 H SER 47 -9.241 -0.760 -11.192 356 HA SER 47 HA SER 47 -8.710 -1.848 -8.504 357 1HB SER 47 2HB SER 47 -8.486 -3.088 -11.239 358 2HB SER 47 1HB SER 47 -7.569 -3.729 -9.876 359 HG SER 47 HG SER 47 -10.390 -3.434 -10.019 360 H VAL 48 H VAL 48 -6.746 -1.491 -7.633 361 HA VAL 48 HA VAL 48 -4.619 -0.503 -9.414 362 HB VAL 48 HB VAL 48 -5.183 0.552 -6.643 363 1HG1 VAL 48 1HG1 VAL 48 -2.932 0.889 -6.892 364 2HG1 VAL 48 2HG1 VAL 48 -3.555 2.361 -7.638 365 3HG1 VAL 48 3HG1 VAL 48 -3.032 1.013 -8.648 366 1HG2 VAL 48 1HG2 VAL 48 -5.383 2.453 -8.822 367 2HG2 VAL 48 2HG2 VAL 48 -6.516 2.116 -7.513 368 3HG2 VAL 48 3HG2 VAL 48 -6.551 1.141 -8.983 369 H THR 49 H THR 49 -2.787 -1.572 -9.276 370 HA THR 49 HA THR 49 -2.312 -3.284 -6.929 371 HB THR 49 HB THR 49 -0.747 -4.548 -8.356 372 HG1 THR 49 1HG THR 49 -1.703 -2.914 -10.488 373 1HG2 THR 49 1HG2 THR 49 -2.406 -5.854 -9.130 374 2HG2 THR 49 2HG2 THR 49 -3.090 -4.561 -10.115 375 3HG2 THR 49 3HG2 THR 49 -3.484 -4.663 -8.399 376 H ILE 50 H ILE 50 -0.608 -2.857 -5.630 377 HA ILE 50 HA ILE 50 1.088 -0.592 -6.378 378 HB ILE 50 HB ILE 50 0.801 -1.906 -3.678 379 1HG1 ILE 50 2HG1 ILE 50 -1.315 -0.910 -4.344 380 2HG1 ILE 50 1HG1 ILE 50 -0.558 0.094 -3.111 381 1HG2 ILE 50 1HG2 ILE 50 1.885 0.120 -2.838 382 2HG2 ILE 50 2HG2 ILE 50 2.071 0.705 -4.492 383 3HG2 ILE 50 3HG2 ILE 50 2.921 -0.750 -3.969 384 1HD1 ILE 50 1HD1 ILE 50 -1.610 1.336 -4.998 385 2HD1 ILE 50 2HD1 ILE 50 -0.371 0.658 -6.054 386 3HD1 ILE 50 3HD1 ILE 50 0.089 1.715 -4.719 387 H THR 51 H THR 51 2.854 -1.173 -7.433 388 HA THR 51 HA THR 51 4.262 -3.630 -6.757 389 HB THR 51 HB THR 51 5.834 -2.483 -8.641 390 HG1 THR 51 1HG THR 51 4.288 -1.567 -10.183 391 1HG2 THR 51 1HG2 THR 51 4.681 -3.892 -10.269 392 2HG2 THR 51 2HG2 THR 51 3.292 -4.021 -9.189 393 3HG2 THR 51 3HG2 THR 51 4.839 -4.728 -8.724 394 H SER 52 H SER 52 6.838 -3.202 -6.975 395 HA SER 52 HA SER 52 7.412 -1.079 -5.019 396 1HB SER 52 2HB SER 52 8.147 -3.915 -5.094 397 2HB SER 52 1HB SER 52 9.499 -2.838 -4.751 398 HG SER 52 HG SER 52 8.560 -2.209 -2.922 399 H ARG 53 H ARG 53 8.931 -2.982 -7.637 400 HA ARG 53 HA ARG 53 10.416 -2.379 -9.257 401 1HB ARG 53 2HB ARG 53 9.457 -0.530 -10.127 402 2HB ARG 53 1HB ARG 53 9.056 0.115 -8.549 403 1HG ARG 53 2HG ARG 53 10.431 1.719 -9.532 404 2HG ARG 53 1HG ARG 53 11.489 0.863 -8.411 405 1HD ARG 53 2HD ARG 53 12.124 -0.594 -10.424 406 2HD ARG 53 1HD ARG 53 11.356 0.652 -11.406 407 HE ARG 53 HE ARG 53 13.219 1.823 -9.636 408 1HH1 ARG 53 1HH1 ARG 53 13.060 -0.105 -12.534 409 2HH1 ARG 53 2HH1 ARG 53 14.576 0.464 -13.150 410 1HH2 ARG 53 1HH2 ARG 53 15.213 2.580 -10.439 411 2HH2 ARG 53 2HH2 ARG 53 15.800 1.990 -11.958 412 H TYR 54 H TYR 54 10.952 -2.348 -6.127 413 HA TYR 54 HA TYR 54 13.744 -2.371 -6.272 414 1HB TYR 54 2HB TYR 54 12.560 0.232 -5.814 415 2HB TYR 54 1HB TYR 54 13.497 -0.273 -4.412 416 HD1 TYR 54 1HD TYR 54 13.774 1.741 -7.063 417 HD2 TYR 54 2HD TYR 54 15.772 -1.653 -5.453 418 HE1 TYR 54 1HE TYR 54 15.838 2.417 -8.214 419 HE2 TYR 54 2HE TYR 54 17.842 -0.984 -6.598 420 HH TYR 54 HH TYR 54 18.381 0.449 -8.740 421 H ASP 55 H ASP 55 14.645 -2.430 -3.896 422 HA ASP 55 HA ASP 55 12.731 -4.057 -2.405 423 1HB ASP 55 2HB ASP 55 15.609 -3.788 -1.618 424 2HB ASP 55 1HB ASP 55 14.519 -5.154 -1.407 425 H GLY 56 H GLY 56 11.731 -3.298 -0.676 426 1HA GLY 56 2HA GLY 56 12.978 -1.048 0.766 427 2HA GLY 56 1HA GLY 56 11.272 -1.034 0.348 428 H VAL 57 H VAL 57 12.080 -0.678 2.944 429 HA VAL 57 HA VAL 57 11.575 -3.274 4.230 430 HB VAL 57 HB VAL 57 12.492 -0.770 5.626 431 1HG1 VAL 57 1HG1 VAL 57 12.417 -2.005 7.469 432 2HG1 VAL 57 2HG1 VAL 57 13.424 -3.246 6.726 433 3HG1 VAL 57 3HG1 VAL 57 11.672 -3.299 6.530 434 1HG2 VAL 57 1HG2 VAL 57 14.780 -1.806 5.505 435 2HG2 VAL 57 2HG2 VAL 57 14.161 -1.173 3.980 436 3HG2 VAL 57 3HG2 VAL 57 14.136 -2.909 4.289 437 H ILE 58 H ILE 58 9.604 -3.678 4.932 438 HA ILE 58 HA ILE 58 7.751 -1.460 5.447 439 HB ILE 58 HB ILE 58 7.094 -4.406 5.285 440 1HG1 ILE 58 2HG1 ILE 58 6.901 -2.298 3.132 441 2HG1 ILE 58 1HG1 ILE 58 8.105 -3.581 3.177 442 1HG2 ILE 58 1HG2 ILE 58 5.484 -1.889 5.410 443 2HG2 ILE 58 2HG2 ILE 58 5.304 -3.377 6.340 444 3HG2 ILE 58 3HG2 ILE 58 4.827 -3.334 4.641 445 1HD1 ILE 58 1HD1 ILE 58 5.297 -4.437 3.312 446 2HD1 ILE 58 2HD1 ILE 58 6.659 -5.128 2.430 447 3HD1 ILE 58 3HD1 ILE 58 5.820 -3.714 1.792 448 H LYS 59 H LYS 59 7.230 -0.920 7.469 449 HA LYS 59 HA LYS 59 8.278 -2.595 9.623 450 1HB LYS 59 2HB LYS 59 8.915 -0.206 9.487 451 2HB LYS 59 1HB LYS 59 7.234 0.229 9.762 452 1HG LYS 59 2HG LYS 59 7.551 -1.300 11.890 453 2HG LYS 59 1HG LYS 59 9.246 -0.871 11.646 454 1HD LYS 59 2HD LYS 59 8.051 1.549 11.365 455 2HD LYS 59 1HD LYS 59 6.983 0.781 12.541 456 1HE LYS 59 2HE LYS 59 8.455 1.328 14.115 457 2HE LYS 59 1HE LYS 59 9.564 0.162 13.394 458 1HZ LYS 59 1HZ LYS 59 9.542 2.682 12.025 459 2HZ LYS 59 2HZ LYS 59 10.850 1.784 12.611 460 3HZ LYS 59 3HZ LYS 59 10.010 2.827 13.645 461 H LYS 60 H LYS 60 5.169 -1.095 8.680 462 HA LYS 60 HA LYS 60 3.889 -3.036 10.448 463 1HB LYS 60 2HB LYS 60 2.575 -1.448 11.628 464 2HB LYS 60 1HB LYS 60 4.247 -0.913 11.732 465 1HG LYS 60 2HG LYS 60 2.313 0.158 9.698 466 2HG LYS 60 1HG LYS 60 2.535 0.877 11.294 467 1HD LYS 60 2HD LYS 60 5.097 0.462 10.120 468 2HD LYS 60 1HD LYS 60 4.068 1.287 8.946 469 1HE LYS 60 2HE LYS 60 4.654 2.152 11.776 470 2HE LYS 60 1HE LYS 60 5.214 2.928 10.295 471 1HZ LYS 60 1HZ LYS 60 2.455 2.779 10.113 472 2HZ LYS 60 2HZ LYS 60 3.393 4.164 10.362 473 3HZ LYS 60 3HZ LYS 60 2.784 3.306 11.687 474 H LEU 61 H LEU 61 1.806 -3.558 10.000 475 HA LEU 61 HA LEU 61 0.500 -2.341 7.682 476 1HB LEU 61 2HB LEU 61 1.105 -5.273 8.058 477 2HB LEU 61 1HB LEU 61 -0.151 -4.702 6.975 478 HG LEU 61 HG LEU 61 2.535 -3.522 6.576 479 1HD1 LEU 61 1HD1 LEU 61 2.276 -6.080 5.217 480 2HD1 LEU 61 2HD1 LEU 61 2.435 -6.234 6.966 481 3HD1 LEU 61 3HD1 LEU 61 3.662 -5.367 6.043 482 1HD2 LEU 61 1HD2 LEU 61 1.851 -3.979 4.192 483 2HD2 LEU 61 2HD2 LEU 61 0.816 -2.865 5.085 484 3HD2 LEU 61 3HD2 LEU 61 0.305 -4.533 4.833 485 H TYR 62 H TYR 62 -1.698 -2.142 7.966 486 HA TYR 62 HA TYR 62 -2.781 -3.350 10.427 487 1HB TYR 62 2HB TYR 62 -2.640 -0.665 9.697 488 2HB TYR 62 1HB TYR 62 -4.320 -1.109 9.417 489 HD1 TYR 62 1HD TYR 62 -5.232 -2.719 11.449 490 HD2 TYR 62 2HD TYR 62 -2.231 0.281 11.751 491 HE1 TYR 62 1HE TYR 62 -5.692 -2.510 13.855 492 HE2 TYR 62 2HE TYR 62 -2.682 0.498 14.158 493 HH TYR 62 HH TYR 62 -4.628 -1.745 15.873 494 H TYR 63 H TYR 63 -3.665 -2.391 7.121 495 HA TYR 63 HA TYR 63 -6.143 -3.885 7.307 496 1HB TYR 63 2HB TYR 63 -4.974 -2.387 4.956 497 2HB TYR 63 1HB TYR 63 -6.619 -3.004 5.086 498 HD1 TYR 63 1HD TYR 63 -8.308 -1.690 6.054 499 HD2 TYR 63 2HD TYR 63 -4.236 -0.605 6.635 500 HE1 TYR 63 1HE TYR 63 -9.021 0.423 7.095 501 HE2 TYR 63 2HE TYR 63 -4.940 1.508 7.673 502 HH TYR 63 HH TYR 63 -7.941 2.088 8.810 503 H ASN 64 H ASN 64 -6.613 -5.773 6.324 504 HA ASN 64 HA ASN 64 -4.412 -7.137 4.923 505 1HB ASN 64 2HB ASN 64 -6.536 -8.315 6.724 506 2HB ASN 64 1HB ASN 64 -5.366 -9.260 5.804 507 1HD2 ASN 64 1HD2 ASN 64 -3.032 -8.209 6.146 508 2HD2 ASN 64 2HD2 ASN 64 -2.593 -8.058 7.810 509 H LEU 65 H LEU 65 -5.567 -9.282 3.945 510 HA LEU 65 HA LEU 65 -6.748 -8.531 1.589 511 1HB LEU 65 2HB LEU 65 -6.724 -11.110 3.120 512 2HB LEU 65 1HB LEU 65 -7.496 -10.984 1.559 513 HG LEU 65 HG LEU 65 -4.897 -9.902 1.274 514 1HD1 LEU 65 1HD1 LEU 65 -5.037 -12.094 3.200 515 2HD1 LEU 65 2HD1 LEU 65 -3.730 -10.959 2.860 516 3HD1 LEU 65 3HD1 LEU 65 -3.936 -12.392 1.854 517 1HD2 LEU 65 1HD2 LEU 65 -5.001 -12.511 0.199 518 2HD2 LEU 65 2HD2 LEU 65 -5.238 -10.977 -0.638 519 3HD2 LEU 65 3HD2 LEU 65 -6.620 -11.827 0.054 520 H ASP 66 H ASP 66 -8.265 -9.079 4.680 521 HA ASP 66 HA ASP 66 -10.914 -9.067 3.427 522 1HB ASP 66 2HB ASP 66 -9.998 -9.800 6.205 523 2HB ASP 66 1HB ASP 66 -11.697 -9.670 5.759 524 H ASP 67 H ASP 67 -8.835 -7.093 5.407 525 HA ASP 67 HA ASP 67 -10.937 -5.405 6.370 526 1HB ASP 67 2HB ASP 67 -8.346 -5.798 7.126 527 2HB ASP 67 1HB ASP 67 -8.249 -4.239 6.309 528 H ILE 68 H ILE 68 -11.210 -3.188 5.905 529 HA ILE 68 HA ILE 68 -10.747 -2.516 3.069 530 HB ILE 68 HB ILE 68 -12.757 -1.031 4.678 531 1HG1 ILE 68 2HG1 ILE 68 -13.143 -3.441 5.247 532 2HG1 ILE 68 1HG1 ILE 68 -14.485 -2.687 4.390 533 1HG2 ILE 68 1HG2 ILE 68 -12.972 -2.116 1.891 534 2HG2 ILE 68 2HG2 ILE 68 -12.131 -0.604 2.255 535 3HG2 ILE 68 3HG2 ILE 68 -13.851 -0.775 2.612 536 1HD1 ILE 68 1HD1 ILE 68 -12.530 -3.978 2.652 537 2HD1 ILE 68 2HD1 ILE 68 -14.291 -4.062 2.643 538 3HD1 ILE 68 3HD1 ILE 68 -13.365 -5.075 3.752 539 H ALA 69 H ALA 69 -9.878 -0.610 2.505 540 HA ALA 69 HA ALA 69 -8.804 1.021 4.696 541 1HB ALA 69 1HB ALA 69 -7.060 1.695 3.255 542 2HB ALA 69 2HB ALA 69 -7.897 1.080 1.831 543 3HB ALA 69 3HB ALA 69 -7.237 -0.043 3.017 544 H TYR 70 H TYR 70 -9.013 3.249 4.668 545 HA TYR 70 HA TYR 70 -11.196 4.259 2.982 546 1HB TYR 70 2HB TYR 70 -10.252 5.817 5.336 547 2HB TYR 70 1HB TYR 70 -11.881 5.613 4.704 548 HD1 TYR 70 1HD TYR 70 -12.020 2.616 4.688 549 HD2 TYR 70 2HD TYR 70 -10.545 5.332 7.611 550 HE1 TYR 70 1HE TYR 70 -12.491 0.966 6.451 551 HE2 TYR 70 2HE TYR 70 -11.011 3.690 9.380 552 HH TYR 70 HH TYR 70 -11.400 0.595 8.964 553 H VAL 71 H VAL 71 -11.008 6.266 1.954 554 HA VAL 71 HA VAL 71 -8.306 6.912 1.154 555 HB VAL 71 HB VAL 71 -10.736 8.445 0.278 556 1HG1 VAL 71 1HG1 VAL 71 -8.390 7.643 -1.396 557 2HG1 VAL 71 2HG1 VAL 71 -8.285 9.017 -0.296 558 3HG1 VAL 71 3HG1 VAL 71 -9.485 9.011 -1.589 559 1HG2 VAL 71 1HG2 VAL 71 -11.592 6.784 -0.948 560 2HG2 VAL 71 2HG2 VAL 71 -10.642 5.696 0.059 561 3HG2 VAL 71 3HG2 VAL 71 -10.003 6.246 -1.486 562 H GLY 72 H GLY 72 -7.123 8.644 1.768 563 1HA GLY 72 2HA GLY 72 -7.211 11.063 2.333 564 2HA GLY 72 1HA GLY 72 -8.469 10.641 3.482 565 H LYS 73 H LYS 73 -6.277 8.172 3.636 566 HA LYS 73 HA LYS 73 -4.351 9.506 5.334 567 1HB LYS 73 2HB LYS 73 -6.671 8.145 6.425 568 2HB LYS 73 1HB LYS 73 -5.169 7.436 7.003 569 1HG LYS 73 2HG LYS 73 -4.422 9.647 7.750 570 2HG LYS 73 1HG LYS 73 -5.946 10.339 7.192 571 1HD LYS 73 2HD LYS 73 -6.430 10.012 9.409 572 2HD LYS 73 1HD LYS 73 -6.976 8.474 8.738 573 1HE LYS 73 2HE LYS 73 -4.591 7.652 9.237 574 2HE LYS 73 1HE LYS 73 -4.466 9.080 10.264 575 1HZ LYS 73 1HZ LYS 73 -5.845 8.208 11.792 576 2HZ LYS 73 2HZ LYS 73 -5.383 6.730 11.110 577 3HZ LYS 73 3HZ LYS 73 -6.840 7.455 10.648 578 HA PRO 74 HA PRO 74 -1.589 6.417 3.825 579 1HB PRO 74 2HB PRO 74 -0.511 6.391 6.602 580 2HB PRO 74 1HB PRO 74 0.336 6.621 5.067 581 1HG PRO 74 2HG PRO 74 -0.123 8.702 6.635 582 2HG PRO 74 1HG PRO 74 -0.340 8.843 4.878 583 1HD PRO 74 2HD PRO 74 -2.409 8.532 7.022 584 2HD PRO 74 1HD PRO 74 -2.430 9.563 5.575 585 H LEU 75 H LEU 75 -0.876 4.192 4.203 586 HA LEU 75 HA LEU 75 -2.705 2.721 5.982 587 1HB LEU 75 2HB LEU 75 -3.332 2.546 3.582 588 2HB LEU 75 1HB LEU 75 -1.764 1.834 3.256 589 HG LEU 75 HG LEU 75 -3.676 0.595 5.211 590 1HD1 LEU 75 1HD1 LEU 75 -4.683 0.928 2.900 591 2HD1 LEU 75 2HD1 LEU 75 -4.641 -0.722 3.526 592 3HD1 LEU 75 3HD1 LEU 75 -3.456 -0.203 2.327 593 1HD2 LEU 75 1HD2 LEU 75 -2.222 -1.372 3.979 594 2HD2 LEU 75 2HD2 LEU 75 -1.852 -0.653 5.546 595 3HD2 LEU 75 3HD2 LEU 75 -1.061 -0.049 4.089 596 H VAL 76 H VAL 76 0.367 2.514 4.180 597 HA VAL 76 HA VAL 76 1.520 1.114 6.487 598 HB VAL 76 HB VAL 76 0.791 -0.615 4.860 599 1HG1 VAL 76 1HG1 VAL 76 1.140 -0.390 2.680 600 2HG1 VAL 76 2HG1 VAL 76 2.882 -0.286 2.938 601 3HG1 VAL 76 3HG1 VAL 76 1.894 1.175 2.985 602 1HG2 VAL 76 1HG2 VAL 76 3.589 -1.085 4.568 603 2HG2 VAL 76 2HG2 VAL 76 2.456 -1.809 5.706 604 3HG2 VAL 76 3HG2 VAL 76 3.297 -0.321 6.130 605 H ASP 77 H ASP 77 3.716 1.443 6.809 606 HA ASP 77 HA ASP 77 4.929 3.479 5.073 607 1HB ASP 77 2HB ASP 77 6.022 2.764 7.770 608 2HB ASP 77 1HB ASP 77 6.146 4.281 6.890 609 H ILE 78 H ILE 78 6.588 2.976 3.849 610 HA ILE 78 HA ILE 78 8.242 0.632 4.491 611 HB ILE 78 HB ILE 78 7.475 1.202 1.653 612 1HG1 ILE 78 2HG1 ILE 78 5.867 -0.902 2.261 613 2HG1 ILE 78 1HG1 ILE 78 5.770 0.026 3.757 614 1HG2 ILE 78 1HG2 ILE 78 8.547 -1.161 3.159 615 2HG2 ILE 78 2HG2 ILE 78 9.290 -0.268 1.831 616 3HG2 ILE 78 3HG2 ILE 78 7.892 -1.300 1.527 617 1HD1 ILE 78 1HD1 ILE 78 4.374 1.461 2.835 618 2HD1 ILE 78 2HD1 ILE 78 4.337 0.437 1.400 619 3HD1 ILE 78 3HD1 ILE 78 5.490 1.770 1.502 620 H GLU 79 H GLU 79 10.397 0.728 3.640 621 HA GLU 79 HA GLU 79 11.189 3.471 2.951 622 1HB GLU 79 2HB GLU 79 12.540 1.163 4.250 623 2HB GLU 79 1HB GLU 79 13.545 2.196 3.242 624 1HG GLU 79 2HG GLU 79 12.428 4.114 4.629 625 2HG GLU 79 1HG GLU 79 12.137 2.817 5.788 626 H THR 80 H THR 80 11.284 3.874 0.856 627 HA THR 80 HA THR 80 12.571 1.942 -0.926 628 HB THR 80 HB THR 80 10.376 3.177 -2.325 629 HG1 THR 80 1HG THR 80 9.702 1.646 -0.014 630 1HG2 THR 80 1HG2 THR 80 11.777 0.759 -2.300 631 2HG2 THR 80 2HG2 THR 80 10.458 1.210 -3.380 632 3HG2 THR 80 3HG2 THR 80 10.115 0.330 -1.888 633 H GLU 81 H GLU 81 13.306 2.888 -2.946 634 HA GLU 81 HA GLU 81 14.577 5.349 -2.621 635 1HB GLU 81 2HB GLU 81 15.133 3.508 -4.286 636 2HB GLU 81 1HB GLU 81 13.842 4.152 -5.292 637 1HG GLU 81 2HG GLU 81 15.654 6.231 -4.440 638 2HG GLU 81 1HG GLU 81 16.502 4.932 -5.277 639 H ALA 82 H ALA 82 14.223 7.386 -3.654 640 HA ALA 82 HA ALA 82 11.774 8.532 -3.302 641 1HB ALA 82 1HB ALA 82 13.636 9.947 -3.603 642 2HB ALA 82 2HB ALA 82 12.552 10.288 -4.951 643 3HB ALA 82 3HB ALA 82 13.979 9.284 -5.201 644 H LEU 83 H LEU 83 9.880 7.929 -4.116 645 HA LEU 83 HA LEU 83 9.730 7.268 -6.984 646 1HB LEU 83 2HB LEU 83 8.114 6.285 -4.642 647 2HB LEU 83 1HB LEU 83 7.559 6.106 -6.295 648 HG LEU 83 HG LEU 83 10.003 4.863 -5.047 649 1HD1 LEU 83 1HD1 LEU 83 8.168 3.152 -6.486 650 2HD1 LEU 83 2HD1 LEU 83 7.369 4.019 -5.173 651 3HD1 LEU 83 3HD1 LEU 83 8.782 3.019 -4.838 652 1HD2 LEU 83 1HD2 LEU 83 9.452 5.526 -7.823 653 2HD2 LEU 83 2HD2 LEU 83 9.725 3.801 -7.575 654 3HD2 LEU 83 3HD2 LEU 83 10.945 4.969 -7.068 655 H LYS 84 H LYS 84 8.408 8.429 -8.259 656 HA LYS 84 HA LYS 84 7.472 10.929 -7.509 657 1HB LYS 84 2HB LYS 84 7.132 9.155 -9.840 658 2HB LYS 84 1HB LYS 84 5.871 10.362 -9.629 659 1HG LYS 84 2HG LYS 84 7.559 12.126 -9.602 660 2HG LYS 84 1HG LYS 84 8.825 10.915 -9.813 661 1HD LYS 84 2HD LYS 84 8.524 10.926 -12.015 662 2HD LYS 84 1HD LYS 84 6.809 10.558 -11.817 663 1HE LYS 84 2HE LYS 84 6.438 12.581 -12.691 664 2HE LYS 84 1HE LYS 84 6.948 13.212 -11.126 665 1HZ LYS 84 1HZ LYS 84 8.119 14.241 -13.008 666 2HZ LYS 84 2HZ LYS 84 8.768 12.735 -13.423 667 3HZ LYS 84 3HZ LYS 84 9.176 13.454 -11.947 668 H ASP 85 H ASP 85 6.018 7.832 -7.074 669 HA ASP 85 HA ASP 85 3.336 8.231 -7.044 670 1HB ASP 85 2HB ASP 85 5.180 6.498 -5.588 671 2HB ASP 85 1HB ASP 85 3.699 6.820 -4.692 672 H LEU 86 H LEU 86 5.559 9.149 -4.425 673 HA LEU 86 HA LEU 86 3.366 10.664 -3.181 674 1HB LEU 86 2HB LEU 86 5.126 8.889 -2.046 675 2HB LEU 86 1HB LEU 86 5.876 10.433 -1.686 676 HG LEU 86 HG LEU 86 3.423 11.044 -0.879 677 1HD1 LEU 86 1HD1 LEU 86 3.547 8.045 -0.643 678 2HD1 LEU 86 2HD1 LEU 86 2.341 9.007 -1.497 679 3HD1 LEU 86 3HD1 LEU 86 2.430 9.065 0.264 680 1HD2 LEU 86 1HD2 LEU 86 5.735 9.793 0.458 681 2HD2 LEU 86 2HD2 LEU 86 4.222 9.794 1.365 682 3HD2 LEU 86 3HD2 LEU 86 4.910 11.315 0.796 683 H GLU 87 H GLU 87 6.456 10.939 -4.715 684 HA GLU 87 HA GLU 87 6.217 13.671 -5.225 685 1HB GLU 87 2HB GLU 87 8.144 14.452 -3.742 686 2HB GLU 87 1HB GLU 87 6.589 14.198 -2.962 687 1HG GLU 87 2HG GLU 87 7.296 12.197 -1.960 688 2HG GLU 87 1HG GLU 87 8.717 12.087 -2.996 Start of MODEL 15 1 1H MET 1 1HT MET 1 19.028 5.600 6.519 2 2H MET 1 2HT MET 1 20.422 6.530 6.747 3 3H MET 1 3HT MET 1 20.033 5.955 5.205 4 HA MET 1 HA MET 1 19.523 8.409 5.896 5 1HB MET 1 2HB MET 1 17.823 6.516 4.275 6 2HB MET 1 1HB MET 1 17.536 8.250 4.294 7 1HG MET 1 2HG MET 1 19.859 8.591 3.498 8 2HG MET 1 1HG MET 1 20.026 6.841 3.362 9 1HE MET 1 1HE MET 1 19.458 6.142 0.113 10 2HE MET 1 2HE MET 1 20.641 6.534 1.362 11 3HE MET 1 3HE MET 1 20.340 7.667 0.044 12 H GLY 2 H GLY 2 16.680 6.266 5.971 13 1HA GLY 2 2HA GLY 2 15.375 6.016 8.021 14 2HA GLY 2 1HA GLY 2 15.810 7.670 8.419 15 H GLN 3 H GLN 3 15.278 7.902 5.244 16 HA GLN 3 HA GLN 3 12.587 8.903 5.638 17 1HB GLN 3 2HB GLN 3 14.584 9.063 3.403 18 2HB GLN 3 1HB GLN 3 12.909 9.535 3.154 19 1HG GLN 3 2HG GLN 3 13.748 11.555 3.718 20 2HG GLN 3 1HG GLN 3 13.389 10.962 5.339 21 1HE2 GLN 3 1HE2 GLN 3 15.077 12.782 5.587 22 2HE2 GLN 3 2HE2 GLN 3 16.719 12.253 5.693 23 H VAL 4 H VAL 4 10.751 8.126 4.706 24 HA VAL 4 HA VAL 4 10.938 5.787 2.955 25 HB VAL 4 HB VAL 4 9.097 4.679 4.248 26 1HG1 VAL 4 1HG1 VAL 4 10.967 3.520 4.711 27 2HG1 VAL 4 2HG1 VAL 4 10.825 4.284 6.296 28 3HG1 VAL 4 3HG1 VAL 4 11.900 4.974 5.077 29 1HG2 VAL 4 1HG2 VAL 4 9.762 6.869 6.198 30 2HG2 VAL 4 2HG2 VAL 4 8.963 5.371 6.677 31 3HG2 VAL 4 3HG2 VAL 4 8.189 6.451 5.517 32 H VAL 5 H VAL 5 9.161 5.457 1.608 33 HA VAL 5 HA VAL 5 7.437 7.806 1.296 34 HB VAL 5 HB VAL 5 6.873 6.868 -0.913 35 1HG1 VAL 5 1HG1 VAL 5 9.842 7.025 -0.400 36 2HG1 VAL 5 2HG1 VAL 5 8.768 8.389 -0.711 37 3HG1 VAL 5 3HG1 VAL 5 9.056 7.189 -1.970 38 1HG2 VAL 5 1HG2 VAL 5 7.146 4.481 -0.263 39 2HG2 VAL 5 2HG2 VAL 5 8.894 4.715 -0.299 40 3HG2 VAL 5 3HG2 VAL 5 7.950 4.899 -1.776 41 H GLN 6 H GLN 6 5.294 7.723 1.677 42 HA GLN 6 HA GLN 6 4.249 5.213 2.739 43 1HB GLN 6 2HB GLN 6 3.847 8.039 3.307 44 2HB GLN 6 1HB GLN 6 2.333 7.153 3.190 45 1HG GLN 6 2HG GLN 6 2.627 6.437 5.251 46 2HG GLN 6 1HG GLN 6 4.064 5.565 4.722 47 1HE2 GLN 6 1HE2 GLN 6 5.625 7.841 4.066 48 2HE2 GLN 6 2HE2 GLN 6 6.056 8.627 5.543 49 H PHE 7 H PHE 7 2.528 4.149 1.969 50 HA PHE 7 HA PHE 7 1.411 5.073 -0.576 51 1HB PHE 7 2HB PHE 7 2.257 2.900 -0.893 52 2HB PHE 7 1HB PHE 7 1.721 2.358 0.690 53 HD1 PHE 7 1HD PHE 7 0.100 0.749 0.591 54 HD2 PHE 7 2HD PHE 7 0.078 3.865 -2.303 55 HE1 PHE 7 1HE PHE 7 -1.929 -0.205 -0.414 56 HE2 PHE 7 2HE PHE 7 -1.950 2.918 -3.315 57 HZ PHE 7 HZ PHE 7 -2.960 0.878 -2.372 58 H LYS 8 H LYS 8 -0.671 5.659 -0.719 59 HA LYS 8 HA LYS 8 -2.394 5.203 1.628 60 1HB LYS 8 2HB LYS 8 -3.454 7.380 1.120 61 2HB LYS 8 1HB LYS 8 -1.751 7.534 1.530 62 1HG LYS 8 2HG LYS 8 -2.149 7.215 -1.319 63 2HG LYS 8 1HG LYS 8 -3.022 8.607 -0.672 64 1HD LYS 8 2HD LYS 8 -0.208 8.198 0.194 65 2HD LYS 8 1HD LYS 8 -0.493 8.776 -1.450 66 1HE LYS 8 2HE LYS 8 -2.077 10.141 0.601 67 2HE LYS 8 1HE LYS 8 -0.336 10.358 0.771 68 1HZ LYS 8 1HZ LYS 8 -0.852 12.055 -0.644 69 2HZ LYS 8 2HZ LYS 8 -2.111 11.216 -1.399 70 3HZ LYS 8 3HZ LYS 8 -0.505 10.844 -1.774 71 H LEU 9 H LEU 9 -4.531 4.719 1.292 72 HA LEU 9 HA LEU 9 -5.279 3.190 -0.882 73 1HB LEU 9 2HB LEU 9 -6.387 3.342 1.357 74 2HB LEU 9 1HB LEU 9 -7.106 4.849 0.854 75 HG LEU 9 HG LEU 9 -8.679 2.952 0.741 76 1HD1 LEU 9 1HD1 LEU 9 -8.436 5.002 -0.974 77 2HD1 LEU 9 2HD1 LEU 9 -9.726 3.804 -1.067 78 3HD1 LEU 9 3HD1 LEU 9 -8.307 3.653 -2.103 79 1HD2 LEU 9 1HD2 LEU 9 -6.482 1.696 -0.623 80 2HD2 LEU 9 2HD2 LEU 9 -7.943 1.668 -1.615 81 3HD2 LEU 9 3HD2 LEU 9 -7.972 0.997 0.021 82 H SER 10 H SER 10 -5.444 3.781 -2.957 83 HA SER 10 HA SER 10 -6.841 6.272 -3.595 84 1HB SER 10 2HB SER 10 -4.044 5.553 -4.405 85 2HB SER 10 1HB SER 10 -5.040 6.539 -5.475 86 HG SER 10 HG SER 10 -4.657 8.165 -4.218 87 H ASP 11 H ASP 11 -8.465 5.770 -4.847 88 HA ASP 11 HA ASP 11 -8.321 4.609 -7.348 89 1HB ASP 11 2HB ASP 11 -7.762 2.502 -6.218 90 2HB ASP 11 1HB ASP 11 -9.220 2.629 -5.239 91 H ILE 12 H ILE 12 -10.208 5.063 -4.437 92 HA ILE 12 HA ILE 12 -12.619 5.512 -6.055 93 HB ILE 12 HB ILE 12 -13.624 5.613 -3.594 94 1HG1 ILE 12 2HG1 ILE 12 -11.247 5.227 -2.676 95 2HG1 ILE 12 1HG1 ILE 12 -12.550 4.259 -1.999 96 1HG2 ILE 12 1HG2 ILE 12 -14.384 4.129 -5.330 97 2HG2 ILE 12 2HG2 ILE 12 -14.188 3.227 -3.828 98 3HG2 ILE 12 3HG2 ILE 12 -12.978 3.088 -5.104 99 1HD1 ILE 12 1HD1 ILE 12 -10.159 3.306 -2.910 100 2HD1 ILE 12 2HD1 ILE 12 -11.232 3.002 -4.276 101 3HD1 ILE 12 3HD1 ILE 12 -11.623 2.351 -2.684 102 H GLY 13 H GLY 13 -14.121 7.229 -4.973 103 1HA GLY 13 2HA GLY 13 -12.700 9.714 -5.097 104 2HA GLY 13 1HA GLY 13 -14.422 9.512 -4.816 105 H GLU 14 H GLU 14 -12.992 11.448 -3.483 106 HA GLU 14 HA GLU 14 -12.287 10.453 -0.856 107 1HB GLU 14 2HB GLU 14 -12.124 13.053 -2.278 108 2HB GLU 14 1HB GLU 14 -12.266 13.117 -0.527 109 1HG GLU 14 2HG GLU 14 -10.249 11.984 -0.204 110 2HG GLU 14 1HG GLU 14 -10.206 11.408 -1.871 111 H GLY 15 H GLY 15 -14.409 9.533 -0.407 112 1HA GLY 15 2HA GLY 15 -15.899 10.720 1.465 113 2HA GLY 15 1HA GLY 15 -16.604 11.396 0.003 114 H ILE 16 H ILE 16 -16.272 9.069 -1.618 115 HA ILE 16 HA ILE 16 -18.664 7.703 -1.005 116 HB ILE 16 HB ILE 16 -18.201 6.298 -2.890 117 1HG1 ILE 16 2HG1 ILE 16 -15.627 7.236 -3.736 118 2HG1 ILE 16 1HG1 ILE 16 -15.494 6.623 -2.089 119 1HG2 ILE 16 1HG2 ILE 16 -17.290 8.201 -4.512 120 2HG2 ILE 16 2HG2 ILE 16 -17.615 9.192 -3.089 121 3HG2 ILE 16 3HG2 ILE 16 -18.910 8.241 -3.817 122 1HD1 ILE 16 1HD1 ILE 16 -15.831 5.195 -4.587 123 2HD1 ILE 16 2HD1 ILE 16 -16.999 4.704 -3.360 124 3HD1 ILE 16 3HD1 ILE 16 -15.272 4.623 -3.015 125 H ARG 17 H ARG 17 -18.220 5.043 -1.418 126 HA ARG 17 HA ARG 17 -17.549 4.109 1.137 127 1HB ARG 17 2HB ARG 17 -18.333 2.945 -1.427 128 2HB ARG 17 1HB ARG 17 -17.239 1.914 -0.516 129 1HG ARG 17 2HG ARG 17 -19.241 2.927 1.245 130 2HG ARG 17 1HG ARG 17 -20.013 2.233 -0.182 131 1HD ARG 17 2HD ARG 17 -19.409 0.137 0.359 132 2HD ARG 17 1HD ARG 17 -17.810 0.636 0.909 133 HE ARG 17 HE ARG 17 -19.786 1.476 2.747 134 1HH1 ARG 17 1HH1 ARG 17 -18.114 -1.370 1.641 135 2HH1 ARG 17 2HH1 ARG 17 -18.271 -2.207 3.149 136 1HH2 ARG 17 1HH2 ARG 17 -19.998 0.385 4.738 137 2HH2 ARG 17 2HH2 ARG 17 -19.343 -1.209 4.910 138 H GLU 18 H GLU 18 -15.786 2.824 1.836 139 HA GLU 18 HA GLU 18 -13.270 3.513 0.499 140 1HB GLU 18 2HB GLU 18 -13.927 2.608 3.299 141 2HB GLU 18 1HB GLU 18 -12.273 2.703 2.700 142 1HG GLU 18 2HG GLU 18 -12.297 4.799 3.442 143 2HG GLU 18 1HG GLU 18 -13.308 5.157 2.041 144 H VAL 19 H VAL 19 -11.505 1.626 0.839 145 HA VAL 19 HA VAL 19 -12.917 -0.866 0.104 146 HB VAL 19 HB VAL 19 -11.924 0.289 -1.863 147 1HG1 VAL 19 1HG1 VAL 19 -9.924 1.190 -0.837 148 2HG1 VAL 19 2HG1 VAL 19 -9.494 0.137 -2.186 149 3HG1 VAL 19 3HG1 VAL 19 -9.322 -0.438 -0.527 150 1HG2 VAL 19 1HG2 VAL 19 -12.348 -2.199 -1.648 151 2HG2 VAL 19 2HG2 VAL 19 -10.617 -2.370 -1.357 152 3HG2 VAL 19 3HG2 VAL 19 -11.193 -1.706 -2.887 153 H THR 20 H THR 20 -12.035 -2.829 0.588 154 HA THR 20 HA THR 20 -10.108 -2.823 2.797 155 HB THR 20 HB THR 20 -11.504 -5.322 2.008 156 HG1 THR 20 1HG THR 20 -13.410 -4.444 2.163 157 1HG2 THR 20 1HG2 THR 20 -11.219 -4.071 4.730 158 2HG2 THR 20 2HG2 THR 20 -9.937 -5.029 3.988 159 3HG2 THR 20 3HG2 THR 20 -11.502 -5.763 4.330 160 H VAL 21 H VAL 21 -8.456 -4.461 2.882 161 HA VAL 21 HA VAL 21 -7.186 -4.827 0.315 162 HB VAL 21 HB VAL 21 -6.314 -5.879 3.011 163 1HG1 VAL 21 1HG1 VAL 21 -5.171 -5.951 0.295 164 2HG1 VAL 21 2HG1 VAL 21 -4.948 -7.056 1.649 165 3HG1 VAL 21 3HG1 VAL 21 -4.053 -5.538 1.592 166 1HG2 VAL 21 1HG2 VAL 21 -5.903 -3.247 1.650 167 2HG2 VAL 21 2HG2 VAL 21 -4.677 -3.882 2.747 168 3HG2 VAL 21 3HG2 VAL 21 -6.314 -3.584 3.331 169 H LYS 22 H LYS 22 -7.193 -6.616 -0.919 170 HA LYS 22 HA LYS 22 -8.673 -8.938 0.085 171 1HB LYS 22 2HB LYS 22 -8.922 -7.575 -2.271 172 2HB LYS 22 1HB LYS 22 -7.883 -8.911 -2.749 173 1HG LYS 22 2HG LYS 22 -10.225 -9.644 -1.125 174 2HG LYS 22 1HG LYS 22 -10.571 -9.016 -2.737 175 1HD LYS 22 2HD LYS 22 -8.441 -10.811 -3.056 176 2HD LYS 22 1HD LYS 22 -9.575 -11.602 -1.959 177 1HE LYS 22 2HE LYS 22 -10.732 -10.262 -4.327 178 2HE LYS 22 1HE LYS 22 -9.783 -11.717 -4.631 179 1HZ LYS 22 1HZ LYS 22 -11.404 -12.340 -2.503 180 2HZ LYS 22 2HZ LYS 22 -11.596 -12.854 -4.103 181 3HZ LYS 22 3HZ LYS 22 -12.404 -11.473 -3.557 182 H GLU 23 H GLU 23 -5.540 -7.932 -1.041 183 HA GLU 23 HA GLU 23 -4.494 -10.568 -0.326 184 1HB GLU 23 2HB GLU 23 -4.393 -9.307 -2.994 185 2HB GLU 23 1HB GLU 23 -2.877 -9.992 -2.423 186 1HG GLU 23 2HG GLU 23 -5.426 -11.564 -2.366 187 2HG GLU 23 1HG GLU 23 -4.427 -11.471 -3.815 188 H TRP 24 H TRP 24 -2.736 -10.465 0.904 189 HA TRP 24 HA TRP 24 -1.199 -7.950 0.973 190 1HB TRP 24 2HB TRP 24 -2.490 -9.473 3.157 191 2HB TRP 24 1HB TRP 24 -0.861 -8.903 3.496 192 HD1 TRP 24 HD TRP 24 -4.299 -7.830 3.836 193 HE1 TRP 24 1HE TRP 24 -4.473 -5.279 4.143 194 HE3 TRP 24 3HE TRP 24 0.413 -6.517 2.377 195 HZ2 TRP 24 2HZ TRP 24 -2.830 -3.013 3.814 196 HZ3 TRP 24 3HZ TRP 24 1.033 -4.138 2.402 197 HH2 TRP 24 HH TRP 24 -0.556 -2.423 3.102 198 H TYR 25 H TYR 25 0.852 -8.257 0.374 199 HA TYR 25 HA TYR 25 2.050 -10.912 0.860 200 1HB TYR 25 2HB TYR 25 2.152 -9.100 -1.510 201 2HB TYR 25 1HB TYR 25 3.546 -10.117 -1.165 202 HD1 TYR 25 1HD TYR 25 0.595 -9.941 -2.977 203 HD2 TYR 25 2HD TYR 25 2.850 -12.666 -0.611 204 HE1 TYR 25 1HE TYR 25 -0.511 -11.826 -4.104 205 HE2 TYR 25 2HE TYR 25 1.751 -14.558 -1.733 206 HH TYR 25 HH TYR 25 -0.794 -14.674 -3.076 207 H VAL 26 H VAL 26 2.157 -8.571 2.637 208 HA VAL 26 HA VAL 26 5.018 -8.557 3.023 209 HB VAL 26 HB VAL 26 5.363 -6.180 2.958 210 1HG1 VAL 26 1HG1 VAL 26 3.874 -6.996 0.470 211 2HG1 VAL 26 2HG1 VAL 26 5.547 -7.416 0.836 212 3HG1 VAL 26 3HG1 VAL 26 5.090 -5.729 0.605 213 1HG2 VAL 26 1HG2 VAL 26 2.466 -5.884 2.164 214 2HG2 VAL 26 2HG2 VAL 26 3.643 -4.587 2.372 215 3HG2 VAL 26 3HG2 VAL 26 3.114 -5.529 3.766 216 H LYS 27 H LYS 27 5.653 -7.620 5.090 217 HA LYS 27 HA LYS 27 3.422 -7.270 6.976 218 1HB LYS 27 2HB LYS 27 5.576 -9.297 7.020 219 2HB LYS 27 1HB LYS 27 5.241 -8.508 8.554 220 1HG LYS 27 2HG LYS 27 3.059 -9.730 6.899 221 2HG LYS 27 1HG LYS 27 4.011 -10.678 8.044 222 1HD LYS 27 2HD LYS 27 2.660 -9.994 9.672 223 2HD LYS 27 1HD LYS 27 3.221 -8.343 9.402 224 1HE LYS 27 2HE LYS 27 1.484 -8.175 7.583 225 2HE LYS 27 1HE LYS 27 0.845 -9.713 8.160 226 1HZ LYS 27 1HZ LYS 27 0.746 -7.074 9.408 227 2HZ LYS 27 2HZ LYS 27 0.884 -8.412 10.434 228 3HZ LYS 27 3HZ LYS 27 -0.424 -8.296 9.368 229 H GLU 28 H GLU 28 3.994 -6.157 8.961 230 HA GLU 28 HA GLU 28 5.435 -3.813 8.566 231 1HB GLU 28 2HB GLU 28 5.092 -5.016 11.299 232 2HB GLU 28 1HB GLU 28 5.051 -3.322 10.832 233 1HG GLU 28 2HG GLU 28 2.838 -3.569 11.020 234 2HG GLU 28 1HG GLU 28 2.964 -4.279 9.411 235 H GLY 29 H GLY 29 7.530 -3.214 8.838 236 1HA GLY 29 2HA GLY 29 9.770 -3.362 9.378 237 2HA GLY 29 1HA GLY 29 9.387 -4.740 10.399 238 H ASP 30 H ASP 30 8.095 -5.325 7.398 239 HA ASP 30 HA ASP 30 10.301 -7.115 6.735 240 1HB ASP 30 2HB ASP 30 7.925 -7.948 6.932 241 2HB ASP 30 1HB ASP 30 7.553 -7.020 5.482 242 H THR 31 H THR 31 11.056 -7.333 4.569 243 HA THR 31 HA THR 31 11.066 -4.775 3.143 244 HB THR 31 HB THR 31 12.861 -7.150 2.636 245 HG1 THR 31 1HG THR 31 14.115 -6.466 4.220 246 1HG2 THR 31 1HG2 THR 31 12.562 -5.329 0.883 247 2HG2 THR 31 2HG2 THR 31 14.215 -5.656 1.404 248 3HG2 THR 31 3HG2 THR 31 13.356 -4.246 2.025 249 H VAL 32 H VAL 32 10.642 -4.637 0.948 250 HA VAL 32 HA VAL 32 8.991 -6.806 -0.116 251 HB VAL 32 HB VAL 32 8.738 -4.655 -1.871 252 1HG1 VAL 32 1HG1 VAL 32 6.592 -5.119 -1.558 253 2HG1 VAL 32 2HG1 VAL 32 6.679 -4.729 0.159 254 3HG1 VAL 32 3HG1 VAL 32 7.130 -6.337 -0.402 255 1HG2 VAL 32 1HG2 VAL 32 9.761 -3.092 -0.350 256 2HG2 VAL 32 2HG2 VAL 32 8.720 -3.635 0.968 257 3HG2 VAL 32 3HG2 VAL 32 8.026 -2.784 -0.410 258 H SER 33 H SER 33 9.112 -7.243 -2.435 259 HA SER 33 HA SER 33 11.727 -6.667 -3.629 260 1HB SER 33 2HB SER 33 10.649 -9.315 -2.868 261 2HB SER 33 1HB SER 33 11.362 -9.217 -4.478 262 HG SER 33 HG SER 33 12.557 -8.937 -1.974 263 H GLN 34 H GLN 34 11.777 -7.130 -5.976 264 HA GLN 34 HA GLN 34 9.763 -5.864 -7.358 265 1HB GLN 34 2HB GLN 34 11.829 -7.860 -8.242 266 2HB GLN 34 1HB GLN 34 10.693 -7.159 -9.386 267 1HG GLN 34 2HG GLN 34 11.861 -5.282 -9.519 268 2HG GLN 34 1HG GLN 34 11.936 -5.123 -7.765 269 1HE2 GLN 34 1HE2 GLN 34 13.183 -7.750 -9.751 270 2HE2 GLN 34 2HE2 GLN 34 14.846 -7.512 -9.344 271 H PHE 35 H PHE 35 9.928 -9.194 -6.358 272 HA PHE 35 HA PHE 35 7.578 -9.870 -7.966 273 1HB PHE 35 2HB PHE 35 8.020 -12.198 -7.185 274 2HB PHE 35 1HB PHE 35 9.362 -11.486 -8.077 275 HD1 PHE 35 1HD PHE 35 8.139 -11.958 -4.589 276 HD2 PHE 35 2HD PHE 35 11.486 -11.610 -7.195 277 HE1 PHE 35 1HE PHE 35 9.647 -12.466 -2.713 278 HE2 PHE 35 2HE PHE 35 13.000 -12.118 -5.323 279 HZ PHE 35 HZ PHE 35 12.081 -12.547 -3.078 280 H ASP 36 H ASP 36 8.424 -8.965 -4.777 281 HA ASP 36 HA ASP 36 6.016 -10.161 -3.638 282 1HB ASP 36 2HB ASP 36 8.597 -9.482 -2.619 283 2HB ASP 36 1HB ASP 36 7.385 -8.576 -1.718 284 H SER 37 H SER 37 4.330 -8.944 -4.417 285 HA SER 37 HA SER 37 4.302 -6.123 -4.563 286 1HB SER 37 2HB SER 37 1.646 -6.920 -4.228 287 2HB SER 37 1HB SER 37 2.489 -6.709 -5.761 288 HG SER 37 HG SER 37 2.923 -8.864 -5.825 289 H ILE 38 H ILE 38 2.951 -4.662 -3.224 290 HA ILE 38 HA ILE 38 3.327 -5.344 -0.417 291 HB ILE 38 HB ILE 38 2.559 -2.698 -1.654 292 1HG1 ILE 38 2HG1 ILE 38 5.161 -3.897 -0.734 293 2HG1 ILE 38 1HG1 ILE 38 4.791 -3.148 -2.280 294 1HG2 ILE 38 1HG2 ILE 38 2.197 -3.560 0.974 295 2HG2 ILE 38 2HG2 ILE 38 2.168 -1.897 0.392 296 3HG2 ILE 38 3HG2 ILE 38 3.666 -2.588 1.014 297 1HD1 ILE 38 1HD1 ILE 38 6.220 -1.691 -1.048 298 2HD1 ILE 38 2HD1 ILE 38 5.172 -1.774 0.368 299 3HD1 ILE 38 3HD1 ILE 38 4.612 -0.964 -1.096 300 H CYS 39 H CYS 39 0.746 -3.297 -1.725 301 HA CYS 39 HA CYS 39 -1.175 -5.004 -0.288 302 1HB CYS 39 2HB CYS 39 -0.936 -2.825 0.770 303 2HB CYS 39 1HB CYS 39 -1.254 -2.020 -0.761 304 HG CYS 39 HG CYS 39 -3.461 -3.723 1.205 305 H GLU 40 H GLU 40 -3.105 -5.514 -1.226 306 HA GLU 40 HA GLU 40 -3.619 -4.548 -3.948 307 1HB GLU 40 2HB GLU 40 -3.855 -7.450 -3.138 308 2HB GLU 40 1HB GLU 40 -4.127 -6.775 -4.738 309 1HG GLU 40 2HG GLU 40 -1.673 -6.028 -4.611 310 2HG GLU 40 1HG GLU 40 -1.547 -7.180 -3.281 311 H VAL 41 H VAL 41 -5.645 -3.828 -4.126 312 HA VAL 41 HA VAL 41 -7.649 -4.843 -2.215 313 HB VAL 41 HB VAL 41 -8.733 -2.672 -2.257 314 1HG1 VAL 41 1HG1 VAL 41 -5.820 -2.758 -1.566 315 2HG1 VAL 41 2HG1 VAL 41 -7.222 -2.795 -0.496 316 3HG1 VAL 41 3HG1 VAL 41 -6.769 -1.294 -1.305 317 1HG2 VAL 41 1HG2 VAL 41 -8.077 -2.089 -4.584 318 2HG2 VAL 41 2HG2 VAL 41 -6.456 -1.722 -3.991 319 3HG2 VAL 41 3HG2 VAL 41 -7.836 -0.777 -3.430 320 H GLN 42 H GLN 42 -9.766 -5.140 -2.944 321 HA GLN 42 HA GLN 42 -10.188 -4.940 -5.845 322 1HB GLN 42 2HB GLN 42 -10.800 -7.343 -4.116 323 2HB GLN 42 1HB GLN 42 -11.345 -7.148 -5.777 324 1HG GLN 42 2HG GLN 42 -8.778 -6.794 -6.225 325 2HG GLN 42 1HG GLN 42 -8.625 -7.703 -4.722 326 1HE2 GLN 42 1HE2 GLN 42 -7.589 -8.754 -6.971 327 2HE2 GLN 42 2HE2 GLN 42 -8.532 -10.099 -7.506 328 H SER 43 H SER 43 -11.908 -3.743 -6.240 329 HA SER 43 HA SER 43 -14.041 -3.615 -4.219 330 1HB SER 43 2HB SER 43 -12.651 -1.532 -5.195 331 2HB SER 43 1HB SER 43 -13.938 -1.601 -6.399 332 HG SER 43 HG SER 43 -14.447 -0.262 -4.586 333 H ASP 44 H ASP 44 -16.235 -3.533 -4.928 334 HA ASP 44 HA ASP 44 -16.945 -5.495 -6.763 335 1HB ASP 44 2HB ASP 44 -19.234 -4.616 -6.571 336 2HB ASP 44 1HB ASP 44 -18.451 -4.719 -4.997 337 H LYS 45 H LYS 45 -16.042 -2.222 -7.315 338 HA LYS 45 HA LYS 45 -17.214 -2.242 -9.996 339 1HB LYS 45 2HB LYS 45 -16.469 0.152 -10.064 340 2HB LYS 45 1HB LYS 45 -17.659 -0.217 -8.824 341 1HG LYS 45 2HG LYS 45 -16.327 0.705 -7.322 342 2HG LYS 45 1HG LYS 45 -15.132 -0.554 -7.633 343 1HD LYS 45 2HD LYS 45 -13.853 0.793 -8.937 344 2HD LYS 45 1HD LYS 45 -15.242 1.677 -9.570 345 1HE LYS 45 2HE LYS 45 -15.366 2.515 -7.054 346 2HE LYS 45 1HE LYS 45 -13.644 2.143 -7.110 347 1HZ LYS 45 1HZ LYS 45 -13.253 3.760 -8.666 348 2HZ LYS 45 2HZ LYS 45 -14.494 4.487 -7.776 349 3HZ LYS 45 3HZ LYS 45 -14.837 3.752 -9.260 350 H ALA 46 H ALA 46 -14.070 -1.983 -8.374 351 HA ALA 46 HA ALA 46 -12.798 -2.933 -10.811 352 1HB ALA 46 1HB ALA 46 -11.227 -0.750 -9.758 353 2HB ALA 46 2HB ALA 46 -12.826 -0.207 -10.266 354 3HB ALA 46 3HB ALA 46 -11.777 -1.050 -11.406 355 H SER 47 H SER 47 -10.505 -3.489 -10.474 356 HA SER 47 HA SER 47 -9.925 -4.155 -7.663 357 1HB SER 47 2HB SER 47 -10.248 -5.923 -9.925 358 2HB SER 47 1HB SER 47 -8.613 -6.055 -9.277 359 HG SER 47 HG SER 47 -10.166 -7.459 -8.259 360 H VAL 48 H VAL 48 -8.164 -3.131 -6.984 361 HA VAL 48 HA VAL 48 -6.125 -2.376 -8.965 362 HB VAL 48 HB VAL 48 -6.317 -1.213 -6.202 363 1HG1 VAL 48 1HG1 VAL 48 -4.281 -0.890 -7.630 364 2HG1 VAL 48 2HG1 VAL 48 -5.078 0.598 -7.122 365 3HG1 VAL 48 3HG1 VAL 48 -5.299 -0.004 -8.765 366 1HG2 VAL 48 1HG2 VAL 48 -7.656 -0.027 -8.623 367 2HG2 VAL 48 2HG2 VAL 48 -7.765 0.507 -6.946 368 3HG2 VAL 48 3HG2 VAL 48 -8.512 -1.013 -7.438 369 H THR 49 H THR 49 -3.950 -2.694 -8.561 370 HA THR 49 HA THR 49 -3.197 -4.289 -6.221 371 HB THR 49 HB THR 49 -1.875 -5.832 -7.590 372 HG1 THR 49 1HG THR 49 -3.169 -4.800 -9.891 373 1HG2 THR 49 1HG2 THR 49 -3.612 -7.236 -7.897 374 2HG2 THR 49 2HG2 THR 49 -4.464 -6.108 -8.953 375 3HG2 THR 49 3HG2 THR 49 -4.569 -5.928 -7.201 376 H ILE 50 H ILE 50 -1.393 -3.515 -5.307 377 HA ILE 50 HA ILE 50 0.177 -1.565 -6.828 378 HB ILE 50 HB ILE 50 0.144 -2.079 -3.854 379 1HG1 ILE 50 2HG1 ILE 50 -1.969 -1.152 -4.520 380 2HG1 ILE 50 1HG1 ILE 50 -1.023 0.148 -3.802 381 1HG2 ILE 50 1HG2 ILE 50 1.138 0.494 -4.626 382 2HG2 ILE 50 2HG2 ILE 50 2.053 -0.771 -5.448 383 3HG2 ILE 50 3HG2 ILE 50 1.932 -0.772 -3.688 384 1HD1 ILE 50 1HD1 ILE 50 -1.897 -0.244 -6.601 385 2HD1 ILE 50 2HD1 ILE 50 -0.343 0.543 -6.327 386 3HD1 ILE 50 3HD1 ILE 50 -1.812 1.226 -5.631 387 H THR 51 H THR 51 1.808 -2.470 -7.881 388 HA THR 51 HA THR 51 3.214 -4.778 -6.885 389 HB THR 51 HB THR 51 4.732 -4.280 -8.902 390 HG1 THR 51 1HG THR 51 4.220 -2.161 -9.336 391 1HG2 THR 51 1HG2 THR 51 3.136 -5.236 -10.467 392 2HG2 THR 51 2HG2 THR 51 1.797 -4.784 -9.413 393 3HG2 THR 51 3HG2 THR 51 2.961 -6.000 -8.887 394 H SER 52 H SER 52 5.785 -4.521 -7.247 395 HA SER 52 HA SER 52 6.556 -2.324 -5.453 396 1HB SER 52 2HB SER 52 8.313 -4.698 -5.955 397 2HB SER 52 1HB SER 52 8.183 -3.688 -4.515 398 HG SER 52 HG SER 52 6.823 -5.095 -3.784 399 H ARG 53 H ARG 53 8.041 -4.273 -8.051 400 HA ARG 53 HA ARG 53 9.307 -3.688 -9.844 401 1HB ARG 53 2HB ARG 53 8.906 -1.714 -10.897 402 2HB ARG 53 1HB ARG 53 7.592 -1.635 -9.739 403 1HG ARG 53 2HG ARG 53 8.369 0.401 -9.273 404 2HG ARG 53 1HG ARG 53 9.642 -0.423 -8.374 405 1HD ARG 53 2HD ARG 53 10.711 -0.526 -10.823 406 2HD ARG 53 1HD ARG 53 9.738 0.933 -11.003 407 HE ARG 53 HE ARG 53 11.119 1.213 -8.628 408 1HH1 ARG 53 1HH1 ARG 53 11.892 0.827 -12.002 409 2HH1 ARG 53 2HH1 ARG 53 13.378 1.710 -11.896 410 1HH2 ARG 53 1HH2 ARG 53 13.076 2.377 -8.479 411 2HH2 ARG 53 2HH2 ARG 53 14.052 2.589 -9.894 412 H TYR 54 H TYR 54 10.063 -3.299 -6.752 413 HA TYR 54 HA TYR 54 12.835 -3.266 -7.130 414 1HB TYR 54 2HB TYR 54 12.121 -0.777 -7.481 415 2HB TYR 54 1HB TYR 54 11.934 -0.765 -5.730 416 HD1 TYR 54 1HD TYR 54 13.684 0.593 -4.986 417 HD2 TYR 54 2HD TYR 54 14.504 -2.503 -7.785 418 HE1 TYR 54 1HE TYR 54 16.094 1.006 -4.727 419 HE2 TYR 54 2HE TYR 54 16.917 -2.100 -7.534 420 HH TYR 54 HH TYR 54 18.295 -0.631 -5.122 421 H ASP 55 H ASP 55 13.952 -2.989 -4.887 422 HA ASP 55 HA ASP 55 12.253 -4.413 -2.976 423 1HB ASP 55 2HB ASP 55 14.606 -4.659 -1.798 424 2HB ASP 55 1HB ASP 55 14.147 -5.699 -3.142 425 H GLY 56 H GLY 56 11.505 -3.475 -1.206 426 1HA GLY 56 2HA GLY 56 12.872 -1.060 -0.219 427 2HA GLY 56 1HA GLY 56 11.140 -1.036 -0.505 428 H VAL 57 H VAL 57 12.152 -0.381 1.951 429 HA VAL 57 HA VAL 57 11.758 -2.765 3.616 430 HB VAL 57 HB VAL 57 12.871 -0.043 4.308 431 1HG1 VAL 57 1HG1 VAL 57 11.802 -0.682 6.291 432 2HG1 VAL 57 2HG1 VAL 57 13.465 -1.237 6.504 433 3HG1 VAL 57 3HG1 VAL 57 12.202 -2.386 6.063 434 1HG2 VAL 57 1HG2 VAL 57 14.970 -1.039 4.390 435 2HG2 VAL 57 2HG2 VAL 57 14.224 -1.789 2.980 436 3HG2 VAL 57 3HG2 VAL 57 14.302 -2.667 4.508 437 H ILE 58 H ILE 58 9.826 -3.125 4.432 438 HA ILE 58 HA ILE 58 7.943 -0.895 4.760 439 HB ILE 58 HB ILE 58 7.239 -3.798 5.104 440 1HG1 ILE 58 2HG1 ILE 58 7.463 -2.228 2.534 441 2HG1 ILE 58 1HG1 ILE 58 8.283 -3.730 2.945 442 1HG2 ILE 58 1HG2 ILE 58 5.536 -2.339 5.844 443 2HG2 ILE 58 2HG2 ILE 58 5.031 -2.895 4.247 444 3HG2 ILE 58 3HG2 ILE 58 5.725 -1.285 4.442 445 1HD1 ILE 58 1HD1 ILE 58 6.613 -4.931 2.144 446 2HD1 ILE 58 2HD1 ILE 58 5.907 -3.434 1.536 447 3HD1 ILE 58 3HD1 ILE 58 5.433 -4.053 3.118 448 H LYS 59 H LYS 59 7.665 -0.073 6.719 449 HA LYS 59 HA LYS 59 8.720 -1.573 8.998 450 1HB LYS 59 2HB LYS 59 9.720 0.521 8.888 451 2HB LYS 59 1HB LYS 59 8.224 1.330 8.464 452 1HG LYS 59 2HG LYS 59 7.416 1.154 10.710 453 2HG LYS 59 1HG LYS 59 8.769 0.118 11.166 454 1HD LYS 59 2HD LYS 59 9.447 2.177 11.973 455 2HD LYS 59 1HD LYS 59 10.225 2.130 10.390 456 1HE LYS 59 2HE LYS 59 7.793 3.218 9.794 457 2HE LYS 59 1HE LYS 59 8.098 3.876 11.401 458 1HZ LYS 59 1HZ LYS 59 9.928 4.074 9.068 459 2HZ LYS 59 2HZ LYS 59 10.238 4.694 10.610 460 3HZ LYS 59 3HZ LYS 59 8.971 5.325 9.685 461 H LYS 60 H LYS 60 5.711 0.151 8.087 462 HA LYS 60 HA LYS 60 4.400 -1.476 10.137 463 1HB LYS 60 2HB LYS 60 3.383 0.265 11.251 464 2HB LYS 60 1HB LYS 60 4.956 0.951 10.883 465 1HG LYS 60 2HG LYS 60 2.520 1.430 9.184 466 2HG LYS 60 1HG LYS 60 2.980 2.462 10.537 467 1HD LYS 60 2HD LYS 60 4.800 1.843 8.219 468 2HD LYS 60 1HD LYS 60 3.739 3.248 8.286 469 1HE LYS 60 2HE LYS 60 5.855 2.602 10.333 470 2HE LYS 60 1HE LYS 60 6.069 3.730 8.995 471 1HZ LYS 60 1HZ LYS 60 4.048 3.986 11.157 472 2HZ LYS 60 2HZ LYS 60 4.271 5.073 9.881 473 3HZ LYS 60 3HZ LYS 60 5.484 4.874 11.042 474 H LEU 61 H LEU 61 2.416 -2.196 9.708 475 HA LEU 61 HA LEU 61 1.004 -1.210 7.339 476 1HB LEU 61 2HB LEU 61 1.712 -4.085 7.923 477 2HB LEU 61 1HB LEU 61 0.465 -3.618 6.780 478 HG LEU 61 HG LEU 61 2.879 -2.205 6.158 479 1HD1 LEU 61 1HD1 LEU 61 3.908 -4.579 5.402 480 2HD1 LEU 61 2HD1 LEU 61 3.213 -5.011 6.964 481 3HD1 LEU 61 3HD1 LEU 61 4.396 -3.707 6.855 482 1HD2 LEU 61 1HD2 LEU 61 0.983 -2.722 4.651 483 2HD2 LEU 61 2HD2 LEU 61 1.469 -4.417 4.678 484 3HD2 LEU 61 3HD2 LEU 61 2.549 -3.201 3.996 485 H TYR 62 H TYR 62 -0.634 -0.301 8.465 486 HA TYR 62 HA TYR 62 -1.834 -1.533 10.747 487 1HB TYR 62 2HB TYR 62 -1.682 1.021 9.795 488 2HB TYR 62 1HB TYR 62 -3.344 0.598 9.400 489 HD1 TYR 62 1HD TYR 62 -4.828 -0.273 11.296 490 HD2 TYR 62 2HD TYR 62 -1.091 1.647 11.964 491 HE1 TYR 62 1HE TYR 62 -5.492 0.201 13.617 492 HE2 TYR 62 2HE TYR 62 -1.743 2.125 14.285 493 HH TYR 62 HH TYR 62 -3.878 0.684 15.931 494 H TYR 63 H TYR 63 -2.906 -1.006 7.394 495 HA TYR 63 HA TYR 63 -5.396 -2.373 7.889 496 1HB TYR 63 2HB TYR 63 -4.249 -1.448 5.253 497 2HB TYR 63 1HB TYR 63 -5.921 -1.892 5.576 498 HD1 TYR 63 1HD TYR 63 -5.852 -0.431 8.383 499 HD2 TYR 63 2HD TYR 63 -4.905 0.736 4.402 500 HE1 TYR 63 1HE TYR 63 -6.359 1.907 8.952 501 HE2 TYR 63 2HE TYR 63 -5.408 3.076 4.962 502 HH TYR 63 HH TYR 63 -5.428 4.489 7.120 503 H ASN 64 H ASN 64 -5.973 -4.372 7.347 504 HA ASN 64 HA ASN 64 -3.983 -6.106 6.048 505 1HB ASN 64 2HB ASN 64 -5.927 -6.823 8.253 506 2HB ASN 64 1HB ASN 64 -4.866 -7.964 7.424 507 1HD2 ASN 64 1HD2 ASN 64 -2.496 -7.197 7.429 508 2HD2 ASN 64 2HD2 ASN 64 -1.895 -6.666 8.959 509 H LEU 65 H LEU 65 -5.374 -8.325 5.661 510 HA LEU 65 HA LEU 65 -6.854 -7.912 3.381 511 1HB LEU 65 2HB LEU 65 -6.657 -10.182 5.325 512 2HB LEU 65 1HB LEU 65 -7.696 -10.285 3.926 513 HG LEU 65 HG LEU 65 -5.123 -9.417 3.061 514 1HD1 LEU 65 1HD1 LEU 65 -4.917 -12.077 4.402 515 2HD1 LEU 65 2HD1 LEU 65 -4.571 -10.602 5.304 516 3HD1 LEU 65 3HD1 LEU 65 -3.639 -10.990 3.859 517 1HD2 LEU 65 1HD2 LEU 65 -5.401 -11.052 1.482 518 2HD2 LEU 65 2HD2 LEU 65 -7.073 -10.820 1.992 519 3HD2 LEU 65 3HD2 LEU 65 -6.141 -12.179 2.619 520 H ASP 66 H ASP 66 -7.880 -7.578 6.659 521 HA ASP 66 HA ASP 66 -10.699 -7.731 5.846 522 1HB ASP 66 2HB ASP 66 -9.617 -9.016 7.884 523 2HB ASP 66 1HB ASP 66 -9.892 -7.483 8.707 524 H ASP 67 H ASP 67 -8.280 -5.519 7.041 525 HA ASP 67 HA ASP 67 -10.182 -3.537 7.878 526 1HB ASP 67 2HB ASP 67 -7.281 -2.984 7.321 527 2HB ASP 67 1HB ASP 67 -8.351 -2.194 8.471 528 H ILE 68 H ILE 68 -10.565 -1.530 6.981 529 HA ILE 68 HA ILE 68 -10.308 -1.412 4.053 530 HB ILE 68 HB ILE 68 -12.070 0.325 5.749 531 1HG1 ILE 68 2HG1 ILE 68 -12.306 -2.478 5.446 532 2HG1 ILE 68 1HG1 ILE 68 -13.471 -1.374 6.156 533 1HG2 ILE 68 1HG2 ILE 68 -11.390 0.833 3.301 534 2HG2 ILE 68 2HG2 ILE 68 -13.080 0.976 3.774 535 3HG2 ILE 68 3HG2 ILE 68 -12.533 -0.440 2.893 536 1HD1 ILE 68 1HD1 ILE 68 -13.399 -1.887 3.206 537 2HD1 ILE 68 2HD1 ILE 68 -14.720 -1.254 4.189 538 3HD1 ILE 68 3HD1 ILE 68 -14.263 -2.953 4.316 539 H ALA 69 H ALA 69 -9.488 0.302 3.030 540 HA ALA 69 HA ALA 69 -7.997 2.189 4.711 541 1HB ALA 69 1HB ALA 69 -7.467 1.679 1.807 542 2HB ALA 69 2HB ALA 69 -6.800 0.649 3.068 543 3HB ALA 69 3HB ALA 69 -6.390 2.362 3.021 544 H TYR 70 H TYR 70 -8.106 4.370 4.351 545 HA TYR 70 HA TYR 70 -10.499 5.291 2.951 546 1HB TYR 70 2HB TYR 70 -8.728 6.521 5.057 547 2HB TYR 70 1HB TYR 70 -9.952 7.455 4.206 548 HD1 TYR 70 1HD TYR 70 -10.019 3.983 5.607 549 HD2 TYR 70 2HD TYR 70 -11.656 7.910 5.697 550 HE1 TYR 70 1HE TYR 70 -11.709 3.237 7.229 551 HE2 TYR 70 2HE TYR 70 -13.349 7.173 7.320 552 HH TYR 70 HH TYR 70 -13.802 3.829 8.115 553 H VAL 71 H VAL 71 -10.485 6.677 1.278 554 HA VAL 71 HA VAL 71 -8.305 6.864 -0.426 555 HB VAL 71 HB VAL 71 -10.488 8.930 -0.367 556 1HG1 VAL 71 1HG1 VAL 71 -10.201 8.831 -2.815 557 2HG1 VAL 71 2HG1 VAL 71 -8.887 7.675 -2.593 558 3HG1 VAL 71 3HG1 VAL 71 -8.728 9.320 -1.976 559 1HG2 VAL 71 1HG2 VAL 71 -10.682 6.033 -0.862 560 2HG2 VAL 71 2HG2 VAL 71 -11.451 7.069 -2.066 561 3HG2 VAL 71 3HG2 VAL 71 -11.920 7.189 -0.370 562 H GLY 72 H GLY 72 -6.714 8.318 -0.802 563 1HA GLY 72 2HA GLY 72 -5.295 10.089 -0.492 564 2HA GLY 72 1HA GLY 72 -6.644 10.948 0.227 565 H LYS 73 H LYS 73 -6.008 8.015 1.827 566 HA LYS 73 HA LYS 73 -4.519 9.501 3.888 567 1HB LYS 73 2HB LYS 73 -6.901 7.887 4.029 568 2HB LYS 73 1HB LYS 73 -5.653 7.221 5.072 569 1HG LYS 73 2HG LYS 73 -5.468 9.820 5.731 570 2HG LYS 73 1HG LYS 73 -7.177 9.727 5.300 571 1HD LYS 73 2HD LYS 73 -7.475 9.010 7.402 572 2HD LYS 73 1HD LYS 73 -6.838 7.474 6.813 573 1HE LYS 73 2HE LYS 73 -5.642 8.049 8.797 574 2HE LYS 73 1HE LYS 73 -4.554 8.274 7.428 575 1HZ LYS 73 1HZ LYS 73 -4.882 10.618 7.525 576 2HZ LYS 73 2HZ LYS 73 -4.495 10.096 9.086 577 3HZ LYS 73 3HZ LYS 73 -6.096 10.471 8.693 578 HA PRO 74 HA PRO 74 -1.250 6.528 3.097 579 1HB PRO 74 2HB PRO 74 -0.036 7.484 5.580 580 2HB PRO 74 1HB PRO 74 0.560 7.620 3.925 581 1HG PRO 74 2HG PRO 74 -0.328 9.751 5.331 582 2HG PRO 74 1HG PRO 74 -0.489 9.630 3.570 583 1HD PRO 74 2HD PRO 74 -2.541 9.170 5.700 584 2HD PRO 74 1HD PRO 74 -2.707 9.961 4.119 585 H LEU 75 H LEU 75 -0.940 4.453 3.753 586 HA LEU 75 HA LEU 75 -1.948 3.748 6.425 587 1HB LEU 75 2HB LEU 75 -2.940 1.778 5.610 588 2HB LEU 75 1HB LEU 75 -3.443 3.065 4.534 589 HG LEU 75 HG LEU 75 -1.267 2.154 3.206 590 1HD1 LEU 75 1HD1 LEU 75 -1.473 -0.341 3.228 591 2HD1 LEU 75 2HD1 LEU 75 -2.446 -0.184 4.692 592 3HD1 LEU 75 3HD1 LEU 75 -0.767 0.357 4.686 593 1HD2 LEU 75 1HD2 LEU 75 -3.764 0.633 2.745 594 2HD2 LEU 75 2HD2 LEU 75 -2.765 1.546 1.615 595 3HD2 LEU 75 3HD2 LEU 75 -3.881 2.393 2.686 596 H VAL 76 H VAL 76 0.558 3.261 4.026 597 HA VAL 76 HA VAL 76 2.059 1.770 6.070 598 HB VAL 76 HB VAL 76 1.163 0.081 4.539 599 1HG1 VAL 76 1HG1 VAL 76 1.816 2.039 2.582 600 2HG1 VAL 76 2HG1 VAL 76 0.944 0.519 2.374 601 3HG1 VAL 76 3HG1 VAL 76 2.702 0.558 2.214 602 1HG2 VAL 76 1HG2 VAL 76 3.068 -1.126 4.568 603 2HG2 VAL 76 2HG2 VAL 76 3.711 0.271 5.433 604 3HG2 VAL 76 3HG2 VAL 76 3.984 0.105 3.700 605 H ASP 77 H ASP 77 4.240 2.090 6.109 606 HA ASP 77 HA ASP 77 5.287 4.162 4.297 607 1HB ASP 77 2HB ASP 77 6.440 3.375 6.977 608 2HB ASP 77 1HB ASP 77 6.835 4.793 6.014 609 H ILE 78 H ILE 78 6.823 3.593 2.897 610 HA ILE 78 HA ILE 78 8.443 1.214 3.475 611 HB ILE 78 HB ILE 78 7.485 1.628 0.681 612 1HG1 ILE 78 2HG1 ILE 78 5.677 -0.170 1.427 613 2HG1 ILE 78 1HG1 ILE 78 5.846 0.648 2.979 614 1HG2 ILE 78 1HG2 ILE 78 8.632 -0.561 2.321 615 2HG2 ILE 78 2HG2 ILE 78 9.013 -0.056 0.675 616 3HG2 ILE 78 3HG2 ILE 78 7.555 -0.995 0.993 617 1HD1 ILE 78 1HD1 ILE 78 5.517 2.468 0.725 618 2HD1 ILE 78 2HD1 ILE 78 4.710 2.429 2.294 619 3HD1 ILE 78 3HD1 ILE 78 4.149 1.384 0.988 620 H GLU 79 H GLU 79 10.478 1.146 2.506 621 HA GLU 79 HA GLU 79 11.430 3.750 1.540 622 1HB GLU 79 2HB GLU 79 12.647 1.484 3.018 623 2HB GLU 79 1HB GLU 79 13.688 2.296 1.857 624 1HG GLU 79 2HG GLU 79 12.428 4.330 3.297 625 2HG GLU 79 1HG GLU 79 12.892 3.115 4.486 626 H THR 80 H THR 80 11.503 3.950 -0.604 627 HA THR 80 HA THR 80 12.574 1.738 -2.189 628 HB THR 80 HB THR 80 10.782 2.336 -3.962 629 HG1 THR 80 1HG THR 80 9.274 3.660 -3.312 630 1HG2 THR 80 1HG2 THR 80 9.288 0.945 -1.904 631 2HG2 THR 80 2HG2 THR 80 10.952 0.370 -2.001 632 3HG2 THR 80 3HG2 THR 80 9.925 0.340 -3.434 633 H GLU 81 H GLU 81 13.353 2.381 -4.296 634 HA GLU 81 HA GLU 81 14.840 4.740 -4.272 635 1HB GLU 81 2HB GLU 81 15.300 2.728 -5.686 636 2HB GLU 81 1HB GLU 81 13.959 3.200 -6.720 637 1HG GLU 81 2HG GLU 81 15.431 4.338 -7.917 638 2HG GLU 81 1HG GLU 81 15.515 5.478 -6.576 639 H ALA 82 H ALA 82 14.617 6.711 -5.378 640 HA ALA 82 HA ALA 82 12.285 8.072 -5.214 641 1HB ALA 82 1HB ALA 82 13.211 9.748 -6.597 642 2HB ALA 82 2HB ALA 82 14.216 8.584 -7.461 643 3HB ALA 82 3HB ALA 82 14.571 8.979 -5.779 644 H LEU 83 H LEU 83 10.345 7.559 -5.972 645 HA LEU 83 HA LEU 83 10.116 6.783 -8.805 646 1HB LEU 83 2HB LEU 83 8.983 5.553 -6.375 647 2HB LEU 83 1HB LEU 83 7.861 5.742 -7.709 648 HG LEU 83 HG LEU 83 10.084 4.646 -8.926 649 1HD1 LEU 83 1HD1 LEU 83 10.024 2.554 -7.129 650 2HD1 LEU 83 2HD1 LEU 83 10.123 3.982 -6.099 651 3HD1 LEU 83 3HD1 LEU 83 11.342 3.707 -7.344 652 1HD2 LEU 83 1HD2 LEU 83 8.323 3.528 -9.698 653 2HD2 LEU 83 2HD2 LEU 83 7.372 3.904 -8.261 654 3HD2 LEU 83 3HD2 LEU 83 8.440 2.500 -8.270 655 H LYS 84 H LYS 84 8.703 7.904 -10.019 656 HA LYS 84 HA LYS 84 7.742 10.381 -9.247 657 1HB LYS 84 2HB LYS 84 6.384 10.332 -11.285 658 2HB LYS 84 1HB LYS 84 8.004 9.717 -11.587 659 1HG LYS 84 2HG LYS 84 6.743 8.177 -12.710 660 2HG LYS 84 1HG LYS 84 6.879 7.397 -11.133 661 1HD LYS 84 2HD LYS 84 4.650 7.271 -11.154 662 2HD LYS 84 1HD LYS 84 4.654 9.012 -10.866 663 1HE LYS 84 2HE LYS 84 4.521 9.448 -13.234 664 2HE LYS 84 1HE LYS 84 4.675 7.729 -13.595 665 1HZ LYS 84 1HZ LYS 84 2.342 9.079 -13.315 666 2HZ LYS 84 2HZ LYS 84 2.504 8.322 -11.812 667 3HZ LYS 84 3HZ LYS 84 2.515 7.398 -13.228 668 H ASP 85 H ASP 85 6.395 7.256 -8.685 669 HA ASP 85 HA ASP 85 3.708 7.617 -8.494 670 1HB ASP 85 2HB ASP 85 5.542 5.733 -7.550 671 2HB ASP 85 1HB ASP 85 4.648 6.244 -6.121 672 H LEU 86 H LEU 86 6.056 8.451 -5.943 673 HA LEU 86 HA LEU 86 3.966 10.144 -4.738 674 1HB LEU 86 2HB LEU 86 4.974 8.071 -3.476 675 2HB LEU 86 1HB LEU 86 6.305 9.168 -3.158 676 HG LEU 86 HG LEU 86 4.630 10.766 -2.162 677 1HD1 LEU 86 1HD1 LEU 86 2.843 8.414 -2.671 678 2HD1 LEU 86 2HD1 LEU 86 2.566 10.119 -3.026 679 3HD1 LEU 86 3HD1 LEU 86 2.517 9.547 -1.359 680 1HD2 LEU 86 1HD2 LEU 86 5.957 9.592 -0.632 681 2HD2 LEU 86 2HD2 LEU 86 5.163 8.057 -0.983 682 3HD2 LEU 86 3HD2 LEU 86 4.305 9.309 -0.085 683 H GLU 87 H GLU 87 7.261 9.949 -5.852 684 HA GLU 87 HA GLU 87 7.487 12.854 -5.506 685 1HB GLU 87 2HB GLU 87 9.746 10.922 -4.961 686 2HB GLU 87 1HB GLU 87 9.794 12.671 -4.792 687 1HG GLU 87 2HG GLU 87 7.688 11.378 -3.231 688 2HG GLU 87 1HG GLU 87 9.324 10.906 -2.778 Start of MODEL 16 1 1H MET 1 1HT MET 1 18.533 -5.373 -2.447 2 2H MET 1 2HT MET 1 17.284 -6.324 -3.075 3 3H MET 1 3HT MET 1 17.659 -4.839 -3.794 4 HA MET 1 HA MET 1 19.448 -5.621 -4.890 5 1HB MET 1 2HB MET 1 19.742 -7.218 -2.398 6 2HB MET 1 1HB MET 1 20.507 -7.854 -3.848 7 1HG MET 1 2HG MET 1 21.006 -5.013 -3.379 8 2HG MET 1 1HG MET 1 21.631 -6.079 -2.123 9 1HE MET 1 1HE MET 1 22.808 -6.167 -6.570 10 2HE MET 1 2HE MET 1 21.481 -5.252 -5.855 11 3HE MET 1 3HE MET 1 21.341 -6.998 -6.051 12 H GLY 2 H GLY 2 16.844 -6.206 -5.503 13 1HA GLY 2 2HA GLY 2 16.152 -7.591 -7.344 14 2HA GLY 2 1HA GLY 2 17.126 -8.892 -6.676 15 H GLN 3 H GLN 3 15.245 -7.082 -4.443 16 HA GLN 3 HA GLN 3 13.055 -9.025 -4.545 17 1HB GLN 3 2HB GLN 3 14.138 -8.312 -1.861 18 2HB GLN 3 1HB GLN 3 13.264 -9.747 -2.369 19 1HG GLN 3 2HG GLN 3 15.161 -10.776 -3.193 20 2HG GLN 3 1HG GLN 3 16.033 -9.256 -3.378 21 1HE2 GLN 3 1HE2 GLN 3 15.076 -11.764 -1.187 22 2HE2 GLN 3 2HE2 GLN 3 16.114 -11.305 0.116 23 H VAL 4 H VAL 4 11.086 -8.243 -3.882 24 HA VAL 4 HA VAL 4 10.992 -5.564 -2.714 25 HB VAL 4 HB VAL 4 9.364 -4.734 -4.272 26 1HG1 VAL 4 1HG1 VAL 4 10.965 -4.031 -5.628 27 2HG1 VAL 4 2HG1 VAL 4 11.099 -5.623 -6.381 28 3HG1 VAL 4 3HG1 VAL 4 12.025 -5.255 -4.926 29 1HG2 VAL 4 1HG2 VAL 4 9.537 -7.451 -5.557 30 2HG2 VAL 4 2HG2 VAL 4 8.803 -6.046 -6.333 31 3HG2 VAL 4 3HG2 VAL 4 8.123 -6.681 -4.835 32 H VAL 5 H VAL 5 9.168 -5.113 -1.515 33 HA VAL 5 HA VAL 5 7.539 -7.441 -0.796 34 HB VAL 5 HB VAL 5 6.796 -5.957 1.121 35 1HG1 VAL 5 1HG1 VAL 5 8.462 -6.758 2.431 36 2HG1 VAL 5 2HG1 VAL 5 9.736 -6.173 1.361 37 3HG1 VAL 5 3HG1 VAL 5 8.856 -7.648 0.961 38 1HG2 VAL 5 1HG2 VAL 5 7.817 -3.927 1.580 39 2HG2 VAL 5 2HG2 VAL 5 7.628 -3.864 -0.171 40 3HG2 VAL 5 3HG2 VAL 5 9.194 -4.266 0.532 41 H GLN 6 H GLN 6 5.457 -7.552 -1.439 42 HA GLN 6 HA GLN 6 4.387 -5.227 -2.837 43 1HB GLN 6 2HB GLN 6 4.136 -8.114 -3.140 44 2HB GLN 6 1HB GLN 6 2.595 -7.275 -3.250 45 1HG GLN 6 2HG GLN 6 3.050 -6.655 -5.316 46 2HG GLN 6 1HG GLN 6 4.511 -5.832 -4.770 47 1HE2 GLN 6 1HE2 GLN 6 6.098 -7.854 -3.955 48 2HE2 GLN 6 2HE2 GLN 6 6.481 -8.895 -5.281 49 H PHE 7 H PHE 7 2.632 -4.143 -2.263 50 HA PHE 7 HA PHE 7 1.368 -4.871 0.270 51 1HB PHE 7 2HB PHE 7 2.190 -2.674 0.424 52 2HB PHE 7 1HB PHE 7 1.707 -2.279 -1.221 53 HD1 PHE 7 1HD PHE 7 0.066 -0.706 -1.332 54 HD2 PHE 7 2HD PHE 7 -0.022 -3.534 1.843 55 HE1 PHE 7 1HE PHE 7 -2.014 0.300 -0.501 56 HE2 PHE 7 2HE PHE 7 -2.103 -2.532 2.684 57 HZ PHE 7 HZ PHE 7 -3.104 -0.610 1.513 58 H LYS 8 H LYS 8 -0.699 -5.425 0.392 59 HA LYS 8 HA LYS 8 -2.394 -5.160 -2.000 60 1HB LYS 8 2HB LYS 8 -3.355 -7.334 -1.561 61 2HB LYS 8 1HB LYS 8 -1.609 -7.503 -1.663 62 1HG LYS 8 2HG LYS 8 -2.734 -7.064 1.031 63 2HG LYS 8 1HG LYS 8 -3.074 -8.617 0.266 64 1HD LYS 8 2HD LYS 8 -0.299 -7.467 0.439 65 2HD LYS 8 1HD LYS 8 -0.982 -8.494 1.701 66 1HE LYS 8 2HE LYS 8 -0.644 -10.346 0.506 67 2HE LYS 8 1HE LYS 8 -1.337 -9.625 -0.946 68 1HZ LYS 8 1HZ LYS 8 0.939 -10.182 -1.351 69 2HZ LYS 8 2HZ LYS 8 1.455 -9.334 0.018 70 3HZ LYS 8 3HZ LYS 8 0.811 -8.495 -1.302 71 H LEU 9 H LEU 9 -4.559 -4.685 -1.652 72 HA LEU 9 HA LEU 9 -5.261 -3.042 0.429 73 1HB LEU 9 2HB LEU 9 -6.520 -3.308 -1.673 74 2HB LEU 9 1HB LEU 9 -7.093 -4.867 -1.128 75 HG LEU 9 HG LEU 9 -8.770 -3.053 -0.934 76 1HD1 LEU 9 1HD1 LEU 9 -9.720 -4.136 0.759 77 2HD1 LEU 9 2HD1 LEU 9 -8.421 -3.709 1.874 78 3HD1 LEU 9 3HD1 LEU 9 -8.246 -5.100 0.805 79 1HD2 LEU 9 1HD2 LEU 9 -7.994 -1.818 1.451 80 2HD2 LEU 9 2HD2 LEU 9 -8.229 -1.084 -0.141 81 3HD2 LEU 9 3HD2 LEU 9 -6.632 -1.674 0.336 82 H SER 10 H SER 10 -5.311 -3.421 2.532 83 HA SER 10 HA SER 10 -6.501 -5.930 3.494 84 1HB SER 10 2HB SER 10 -3.929 -4.652 4.438 85 2HB SER 10 1HB SER 10 -4.787 -5.890 5.355 86 HG SER 10 HG SER 10 -3.061 -6.619 3.886 87 H ASP 11 H ASP 11 -8.409 -5.006 4.092 88 HA ASP 11 HA ASP 11 -8.400 -3.473 6.528 89 1HB ASP 11 2HB ASP 11 -9.585 -2.267 4.019 90 2HB ASP 11 1HB ASP 11 -9.761 -1.613 5.644 91 H ILE 12 H ILE 12 -10.295 -4.744 3.823 92 HA ILE 12 HA ILE 12 -12.467 -5.358 5.712 93 HB ILE 12 HB ILE 12 -13.761 -5.689 3.458 94 1HG1 ILE 12 2HG1 ILE 12 -11.594 -5.252 2.151 95 2HG1 ILE 12 1HG1 ILE 12 -13.046 -4.415 1.615 96 1HG2 ILE 12 1HG2 ILE 12 -14.328 -3.219 3.525 97 2HG2 ILE 12 2HG2 ILE 12 -13.106 -3.081 4.788 98 3HG2 ILE 12 3HG2 ILE 12 -14.512 -4.118 5.030 99 1HD1 ILE 12 1HD1 ILE 12 -10.535 -3.320 2.328 100 2HD1 ILE 12 2HD1 ILE 12 -11.725 -2.759 3.504 101 3HD1 ILE 12 3HD1 ILE 12 -11.988 -2.482 1.782 102 H GLY 13 H GLY 13 -13.844 -7.287 4.814 103 1HA GLY 13 2HA GLY 13 -12.118 -9.576 4.877 104 2HA GLY 13 1HA GLY 13 -13.871 -9.595 4.764 105 H GLU 14 H GLU 14 -12.339 -11.392 3.346 106 HA GLU 14 HA GLU 14 -11.983 -10.431 0.645 107 1HB GLU 14 2HB GLU 14 -11.804 -13.220 1.797 108 2HB GLU 14 1HB GLU 14 -11.376 -12.782 0.149 109 1HG GLU 14 2HG GLU 14 -9.310 -12.585 0.964 110 2HG GLU 14 1HG GLU 14 -9.871 -11.027 1.568 111 H GLY 15 H GLY 15 -14.237 -9.724 0.374 112 1HA GLY 15 2HA GLY 15 -15.740 -11.106 -1.350 113 2HA GLY 15 1HA GLY 15 -16.244 -11.823 0.173 114 H ILE 16 H ILE 16 -15.857 -9.214 1.566 115 HA ILE 16 HA ILE 16 -18.502 -8.177 1.036 116 HB ILE 16 HB ILE 16 -18.217 -6.843 3.012 117 1HG1 ILE 16 2HG1 ILE 16 -15.624 -7.627 3.925 118 2HG1 ILE 16 1HG1 ILE 16 -15.460 -6.954 2.304 119 1HG2 ILE 16 1HG2 ILE 16 -17.779 -9.680 2.969 120 2HG2 ILE 16 2HG2 ILE 16 -18.702 -8.706 4.114 121 3HG2 ILE 16 3HG2 ILE 16 -16.974 -8.957 4.361 122 1HD1 ILE 16 1HD1 ILE 16 -17.198 -5.265 3.758 123 2HD1 ILE 16 2HD1 ILE 16 -15.578 -4.925 3.150 124 3HD1 ILE 16 3HD1 ILE 16 -15.789 -5.595 4.767 125 H ARG 17 H ARG 17 -18.318 -5.521 1.606 126 HA ARG 17 HA ARG 17 -17.730 -4.346 -0.837 127 1HB ARG 17 2HB ARG 17 -19.185 -3.356 0.920 128 2HB ARG 17 1HB ARG 17 -17.748 -2.981 1.862 129 1HG ARG 17 2HG ARG 17 -17.046 -1.342 0.373 130 2HG ARG 17 1HG ARG 17 -18.056 -1.961 -0.934 131 1HD ARG 17 2HD ARG 17 -19.857 -0.809 -0.250 132 2HD ARG 17 1HD ARG 17 -19.545 -1.149 1.452 133 HE ARG 17 HE ARG 17 -18.515 0.883 1.620 134 1HH1 ARG 17 1HH1 ARG 17 -18.715 -0.008 -1.738 135 2HH1 ARG 17 2HH1 ARG 17 -18.129 1.517 -2.314 136 1HH2 ARG 17 1HH2 ARG 17 -17.747 2.903 0.872 137 2HH2 ARG 17 2HH2 ARG 17 -17.580 3.171 -0.831 138 H GLU 18 H GLU 18 -16.061 -2.939 -1.514 139 HA GLU 18 HA GLU 18 -13.465 -3.582 -0.316 140 1HB GLU 18 2HB GLU 18 -14.218 -2.539 -3.044 141 2HB GLU 18 1HB GLU 18 -12.558 -2.709 -2.489 142 1HG GLU 18 2HG GLU 18 -12.541 -4.889 -2.913 143 2HG GLU 18 1HG GLU 18 -14.074 -5.136 -2.079 144 H VAL 19 H VAL 19 -11.780 -1.655 -0.673 145 HA VAL 19 HA VAL 19 -13.159 0.797 0.249 146 HB VAL 19 HB VAL 19 -12.037 -0.416 2.102 147 1HG1 VAL 19 1HG1 VAL 19 -9.738 -0.711 2.227 148 2HG1 VAL 19 2HG1 VAL 19 -9.418 0.453 0.941 149 3HG1 VAL 19 3HG1 VAL 19 -10.104 -1.125 0.552 150 1HG2 VAL 19 1HG2 VAL 19 -10.780 2.259 1.510 151 2HG2 VAL 19 2HG2 VAL 19 -11.067 1.536 3.093 152 3HG2 VAL 19 3HG2 VAL 19 -12.429 2.045 2.096 153 H THR 20 H THR 20 -12.169 2.807 -0.121 154 HA THR 20 HA THR 20 -10.487 2.855 -2.523 155 HB THR 20 HB THR 20 -11.433 5.441 -1.515 156 HG1 THR 20 1HG THR 20 -13.631 4.966 -2.246 157 1HG2 THR 20 1HG2 THR 20 -10.475 5.231 -3.716 158 2HG2 THR 20 2HG2 THR 20 -12.180 5.653 -3.876 159 3HG2 THR 20 3HG2 THR 20 -11.654 3.993 -4.152 160 H VAL 21 H VAL 21 -8.807 4.504 -2.664 161 HA VAL 21 HA VAL 21 -7.215 4.556 -0.235 162 HB VAL 21 HB VAL 21 -6.564 5.703 -2.955 163 1HG1 VAL 21 1HG1 VAL 21 -5.119 5.550 -0.383 164 2HG1 VAL 21 2HG1 VAL 21 -5.011 6.741 -1.679 165 3HG1 VAL 21 3HG1 VAL 21 -4.187 5.189 -1.836 166 1HG2 VAL 21 1HG2 VAL 21 -6.563 3.511 -3.517 167 2HG2 VAL 21 2HG2 VAL 21 -6.389 2.971 -1.847 168 3HG2 VAL 21 3HG2 VAL 21 -4.981 3.542 -2.741 169 H LYS 22 H LYS 22 -7.492 6.127 1.210 170 HA LYS 22 HA LYS 22 -8.797 8.592 0.497 171 1HB LYS 22 2HB LYS 22 -9.079 7.295 2.685 172 2HB LYS 22 1HB LYS 22 -7.524 7.969 3.155 173 1HG LYS 22 2HG LYS 22 -8.725 9.644 4.007 174 2HG LYS 22 1HG LYS 22 -8.876 10.192 2.337 175 1HD LYS 22 2HD LYS 22 -10.820 8.167 3.300 176 2HD LYS 22 1HD LYS 22 -10.990 9.815 3.907 177 1HE LYS 22 2HE LYS 22 -10.722 10.419 1.358 178 2HE LYS 22 1HE LYS 22 -11.287 8.763 1.137 179 1HZ LYS 22 1HZ LYS 22 -12.785 10.455 2.985 180 2HZ LYS 22 2HZ LYS 22 -13.337 9.259 1.925 181 3HZ LYS 22 3HZ LYS 22 -12.939 10.793 1.334 182 H GLU 23 H GLU 23 -5.525 7.536 1.188 183 HA GLU 23 HA GLU 23 -4.574 10.168 0.346 184 1HB GLU 23 2HB GLU 23 -4.179 8.941 3.001 185 2HB GLU 23 1HB GLU 23 -2.742 9.638 2.264 186 1HG GLU 23 2HG GLU 23 -3.738 11.782 2.137 187 2HG GLU 23 1HG GLU 23 -5.327 11.140 2.549 188 H TRP 24 H TRP 24 -2.971 10.066 -1.071 189 HA TRP 24 HA TRP 24 -1.384 7.588 -1.263 190 1HB TRP 24 2HB TRP 24 -2.991 8.975 -3.294 191 2HB TRP 24 1HB TRP 24 -1.350 8.624 -3.819 192 HD1 TRP 24 HD TRP 24 -4.558 7.190 -4.124 193 HE1 TRP 24 1HE TRP 24 -4.504 4.638 -4.419 194 HE3 TRP 24 3HE TRP 24 0.205 6.308 -2.518 195 HZ2 TRP 24 2HZ TRP 24 -2.678 2.526 -4.018 196 HZ3 TRP 24 3HZ TRP 24 1.027 3.988 -2.500 197 HH2 TRP 24 HH TRP 24 -0.384 2.141 -3.234 198 H TYR 25 H TYR 25 0.693 8.028 -0.771 199 HA TYR 25 HA TYR 25 1.742 10.669 -1.573 200 1HB TYR 25 2HB TYR 25 2.146 9.122 0.969 201 2HB TYR 25 1HB TYR 25 3.329 10.313 0.441 202 HD1 TYR 25 1HD TYR 25 2.082 12.614 -0.381 203 HD2 TYR 25 2HD TYR 25 0.650 9.876 2.544 204 HE1 TYR 25 1HE TYR 25 0.732 14.405 0.626 205 HE2 TYR 25 2HE TYR 25 -0.705 11.659 3.558 206 HH TYR 25 HH TYR 25 -0.281 14.923 2.847 207 H VAL 26 H VAL 26 1.900 8.411 -3.244 208 HA VAL 26 HA VAL 26 4.758 8.301 -3.600 209 HB VAL 26 HB VAL 26 5.013 5.902 -3.565 210 1HG1 VAL 26 1HG1 VAL 26 3.633 6.802 -1.044 211 2HG1 VAL 26 2HG1 VAL 26 5.323 7.103 -1.450 212 3HG1 VAL 26 3HG1 VAL 26 4.750 5.453 -1.204 213 1HG2 VAL 26 1HG2 VAL 26 2.216 5.871 -3.847 214 2HG2 VAL 26 2HG2 VAL 26 2.571 5.102 -2.301 215 3HG2 VAL 26 3HG2 VAL 26 3.310 4.489 -3.780 216 H LYS 27 H LYS 27 5.373 7.300 -5.642 217 HA LYS 27 HA LYS 27 3.175 6.910 -7.539 218 1HB LYS 27 2HB LYS 27 5.538 8.703 -8.116 219 2HB LYS 27 1HB LYS 27 4.175 8.381 -9.178 220 1HG LYS 27 2HG LYS 27 3.022 9.333 -6.839 221 2HG LYS 27 1HG LYS 27 4.454 10.336 -7.077 222 1HD LYS 27 2HD LYS 27 2.890 11.494 -8.306 223 2HD LYS 27 1HD LYS 27 3.595 10.454 -9.546 224 1HE LYS 27 2HE LYS 27 1.753 8.843 -9.181 225 2HE LYS 27 1HE LYS 27 1.032 9.969 -8.032 226 1HZ LYS 27 1HZ LYS 27 0.112 10.051 -10.341 227 2HZ LYS 27 2HZ LYS 27 1.596 10.680 -10.854 228 3HZ LYS 27 3HZ LYS 27 0.655 11.537 -9.740 229 H GLU 28 H GLU 28 3.824 5.827 -9.510 230 HA GLU 28 HA GLU 28 5.395 3.580 -9.107 231 1HB GLU 28 2HB GLU 28 5.071 4.779 -11.847 232 2HB GLU 28 1HB GLU 28 5.089 3.084 -11.385 233 1HG GLU 28 2HG GLU 28 2.877 3.214 -11.614 234 2HG GLU 28 1HG GLU 28 2.919 3.981 -10.027 235 H GLY 29 H GLY 29 7.527 3.114 -9.281 236 1HA GLY 29 2HA GLY 29 9.775 3.395 -9.735 237 2HA GLY 29 1HA GLY 29 9.345 4.722 -10.804 238 H ASP 30 H ASP 30 7.911 5.275 -7.857 239 HA ASP 30 HA ASP 30 9.949 7.242 -7.169 240 1HB ASP 30 2HB ASP 30 7.353 7.643 -7.416 241 2HB ASP 30 1HB ASP 30 7.321 7.053 -5.757 242 H THR 31 H THR 31 10.620 7.562 -4.987 243 HA THR 31 HA THR 31 10.797 5.037 -3.514 244 HB THR 31 HB THR 31 12.368 7.530 -2.894 245 HG1 THR 31 1HG THR 31 13.652 7.131 -4.542 246 1HG2 THR 31 1HG2 THR 31 12.325 5.675 -1.247 247 2HG2 THR 31 2HG2 THR 31 13.934 5.972 -1.907 248 3HG2 THR 31 3HG2 THR 31 12.984 4.603 -2.482 249 H VAL 32 H VAL 32 10.508 4.990 -1.247 250 HA VAL 32 HA VAL 32 8.650 7.035 -0.249 251 HB VAL 32 HB VAL 32 8.315 4.888 1.436 252 1HG1 VAL 32 1HG1 VAL 32 6.418 4.654 -0.643 253 2HG1 VAL 32 2HG1 VAL 32 6.832 6.359 -0.475 254 3HG1 VAL 32 3HG1 VAL 32 6.244 5.452 0.920 255 1HG2 VAL 32 1HG2 VAL 32 7.926 2.926 0.022 256 2HG2 VAL 32 2HG2 VAL 32 9.624 3.398 0.023 257 3HG2 VAL 32 3HG2 VAL 32 8.601 3.789 -1.360 258 H SER 33 H SER 33 8.611 7.164 2.183 259 HA SER 33 HA SER 33 11.264 6.769 3.370 260 1HB SER 33 2HB SER 33 9.728 9.315 3.842 261 2HB SER 33 1HB SER 33 11.434 8.985 4.143 262 HG SER 33 HG SER 33 11.668 8.826 1.828 263 H GLN 34 H GLN 34 11.252 6.758 5.710 264 HA GLN 34 HA GLN 34 9.245 5.222 6.833 265 1HB GLN 34 2HB GLN 34 10.258 5.658 8.971 266 2HB GLN 34 1HB GLN 34 11.533 5.524 7.768 267 1HG GLN 34 2HG GLN 34 10.531 8.245 8.252 268 2HG GLN 34 1HG GLN 34 11.374 7.486 9.602 269 1HE2 GLN 34 1HE2 GLN 34 13.463 6.363 8.917 270 2HE2 GLN 34 2HE2 GLN 34 14.487 7.259 7.852 271 H PHE 35 H PHE 35 9.366 8.640 6.358 272 HA PHE 35 HA PHE 35 7.106 9.080 8.159 273 1HB PHE 35 2HB PHE 35 9.198 10.611 7.982 274 2HB PHE 35 1HB PHE 35 8.426 11.226 6.524 275 HD1 PHE 35 1HD PHE 35 7.024 10.230 9.829 276 HD2 PHE 35 2HD PHE 35 7.632 13.333 6.982 277 HE1 PHE 35 1HE PHE 35 5.652 11.749 11.197 278 HE2 PHE 35 2HE PHE 35 6.263 14.858 8.344 279 HZ PHE 35 HZ PHE 35 5.271 14.065 10.454 280 H ASP 36 H ASP 36 7.865 8.774 4.803 281 HA ASP 36 HA ASP 36 5.278 9.880 4.008 282 1HB ASP 36 2HB ASP 36 7.783 9.149 2.532 283 2HB ASP 36 1HB ASP 36 6.257 9.253 1.659 284 H SER 37 H SER 37 3.694 8.451 4.387 285 HA SER 37 HA SER 37 4.000 5.635 4.181 286 1HB SER 37 2HB SER 37 1.255 6.254 3.963 287 2HB SER 37 1HB SER 37 2.134 5.775 5.415 288 HG SER 37 HG SER 37 0.990 7.839 5.516 289 H ILE 38 H ILE 38 2.955 4.213 2.688 290 HA ILE 38 HA ILE 38 3.189 5.117 -0.035 291 HB ILE 38 HB ILE 38 2.398 2.420 1.069 292 1HG1 ILE 38 2HG1 ILE 38 5.012 3.652 0.227 293 2HG1 ILE 38 1HG1 ILE 38 4.621 2.842 1.737 294 1HG2 ILE 38 1HG2 ILE 38 2.995 1.614 -1.226 295 2HG2 ILE 38 2HG2 ILE 38 3.051 3.299 -1.741 296 3HG2 ILE 38 3HG2 ILE 38 1.538 2.605 -1.157 297 1HD1 ILE 38 1HD1 ILE 38 5.498 0.989 0.928 298 2HD1 ILE 38 2HD1 ILE 38 5.794 1.778 -0.622 299 3HD1 ILE 38 3HD1 ILE 38 4.258 0.959 -0.326 300 H CYS 39 H CYS 39 0.610 3.112 1.358 301 HA CYS 39 HA CYS 39 -1.344 4.796 -0.065 302 1HB CYS 39 2HB CYS 39 -1.017 2.445 -0.943 303 2HB CYS 39 1HB CYS 39 -1.671 1.867 0.585 304 HG CYS 39 HG CYS 39 -4.193 2.864 0.239 305 H GLU 40 H GLU 40 -3.344 5.179 0.925 306 HA GLU 40 HA GLU 40 -3.632 4.373 3.726 307 1HB GLU 40 2HB GLU 40 -3.206 7.107 2.722 308 2HB GLU 40 1HB GLU 40 -4.580 6.938 3.802 309 1HG GLU 40 2HG GLU 40 -3.291 6.649 5.602 310 2HG GLU 40 1HG GLU 40 -2.150 5.614 4.746 311 H VAL 41 H VAL 41 -5.618 3.613 4.084 312 HA VAL 41 HA VAL 41 -7.807 4.569 2.361 313 HB VAL 41 HB VAL 41 -8.781 2.341 2.336 314 1HG1 VAL 41 1HG1 VAL 41 -5.974 2.675 1.355 315 2HG1 VAL 41 2HG1 VAL 41 -7.485 2.680 0.445 316 3HG1 VAL 41 3HG1 VAL 41 -6.844 1.165 1.083 317 1HG2 VAL 41 1HG2 VAL 41 -6.711 0.651 3.144 318 2HG2 VAL 41 2HG2 VAL 41 -8.254 0.912 3.959 319 3HG2 VAL 41 3HG2 VAL 41 -6.843 1.866 4.416 320 H GLN 42 H GLN 42 -9.822 4.800 3.309 321 HA GLN 42 HA GLN 42 -9.940 4.344 6.217 322 1HB GLN 42 2HB GLN 42 -10.511 6.834 4.673 323 2HB GLN 42 1HB GLN 42 -11.455 6.500 6.119 324 1HG GLN 42 2HG GLN 42 -9.726 6.897 7.507 325 2HG GLN 42 1HG GLN 42 -8.533 6.229 6.392 326 1HE2 GLN 42 1HE2 GLN 42 -7.142 7.662 5.694 327 2HE2 GLN 42 2HE2 GLN 42 -7.443 9.341 5.427 328 H SER 43 H SER 43 -11.631 3.208 6.859 329 HA SER 43 HA SER 43 -13.959 3.008 5.063 330 1HB SER 43 2HB SER 43 -12.294 0.960 5.989 331 2HB SER 43 1HB SER 43 -13.751 0.834 6.974 332 HG SER 43 HG SER 43 -13.421 0.508 4.220 333 H ASP 44 H ASP 44 -16.035 2.912 6.014 334 HA ASP 44 HA ASP 44 -16.488 4.654 8.131 335 1HB ASP 44 2HB ASP 44 -18.163 3.949 6.395 336 2HB ASP 44 1HB ASP 44 -18.350 2.433 7.271 337 H LYS 45 H LYS 45 -15.929 1.205 8.132 338 HA LYS 45 HA LYS 45 -16.691 0.917 10.909 339 1HB LYS 45 2HB LYS 45 -16.072 -1.427 10.638 340 2HB LYS 45 1HB LYS 45 -17.129 -0.907 9.333 341 1HG LYS 45 2HG LYS 45 -14.778 -0.457 8.161 342 2HG LYS 45 1HG LYS 45 -14.298 -1.747 9.265 343 1HD LYS 45 2HD LYS 45 -15.157 -3.231 7.850 344 2HD LYS 45 1HD LYS 45 -16.753 -2.522 8.110 345 1HE LYS 45 2HE LYS 45 -15.675 -0.742 6.376 346 2HE LYS 45 1HE LYS 45 -14.892 -2.231 5.850 347 1HZ LYS 45 1HZ LYS 45 -17.794 -1.662 5.995 348 2HZ LYS 45 2HZ LYS 45 -17.183 -3.226 5.801 349 3HZ LYS 45 3HZ LYS 45 -16.878 -2.049 4.626 350 H ALA 46 H ALA 46 -13.689 0.889 9.011 351 HA ALA 46 HA ALA 46 -12.223 1.639 11.406 352 1HB ALA 46 1HB ALA 46 -10.562 -0.109 11.186 353 2HB ALA 46 2HB ALA 46 -11.422 -0.785 9.803 354 3HB ALA 46 3HB ALA 46 -12.161 -0.820 11.404 355 H SER 47 H SER 47 -10.127 2.498 10.979 356 HA SER 47 HA SER 47 -9.683 3.243 8.162 357 1HB SER 47 2HB SER 47 -8.534 5.314 9.435 358 2HB SER 47 1HB SER 47 -10.230 5.319 8.953 359 HG SER 47 HG SER 47 -10.792 4.718 11.039 360 H VAL 48 H VAL 48 -7.730 2.734 7.372 361 HA VAL 48 HA VAL 48 -5.558 2.217 9.292 362 HB VAL 48 HB VAL 48 -5.863 0.583 6.791 363 1HG1 VAL 48 1HG1 VAL 48 -3.693 0.658 8.006 364 2HG1 VAL 48 2HG1 VAL 48 -4.404 -0.954 7.916 365 3HG1 VAL 48 3HG1 VAL 48 -4.506 -0.027 9.413 366 1HG2 VAL 48 1HG2 VAL 48 -6.991 -0.093 9.508 367 2HG2 VAL 48 2HG2 VAL 48 -6.946 -1.166 8.109 368 3HG2 VAL 48 3HG2 VAL 48 -7.929 0.297 8.067 369 H THR 49 H THR 49 -3.518 2.767 8.694 370 HA THR 49 HA THR 49 -3.179 4.091 6.084 371 HB THR 49 HB THR 49 -1.737 5.750 7.079 372 HG1 THR 49 1HG THR 49 -1.444 5.746 9.391 373 1HG2 THR 49 1HG2 THR 49 -3.399 7.064 7.858 374 2HG2 THR 49 2HG2 THR 49 -3.883 5.897 9.088 375 3HG2 THR 49 3HG2 THR 49 -4.430 5.700 7.422 376 H ILE 50 H ILE 50 -1.453 3.407 4.922 377 HA ILE 50 HA ILE 50 0.249 1.381 6.171 378 HB ILE 50 HB ILE 50 -0.083 2.058 3.247 379 1HG1 ILE 50 2HG1 ILE 50 -2.124 1.101 4.031 380 2HG1 ILE 50 1HG1 ILE 50 -1.246 -0.191 3.218 381 1HG2 ILE 50 1HG2 ILE 50 1.735 0.841 2.883 382 2HG2 ILE 50 2HG2 ILE 50 0.941 -0.544 3.634 383 3HG2 ILE 50 3HG2 ILE 50 1.915 0.553 4.614 384 1HD1 ILE 50 1HD1 ILE 50 -0.490 -1.019 5.402 385 2HD1 ILE 50 2HD1 ILE 50 -2.247 -1.008 5.250 386 3HD1 ILE 50 3HD1 ILE 50 -1.436 0.246 6.187 387 H THR 51 H THR 51 2.001 2.184 7.080 388 HA THR 51 HA THR 51 3.458 4.370 5.784 389 HB THR 51 HB THR 51 3.146 4.860 8.067 390 HG1 THR 51 1HG THR 51 5.236 5.004 8.781 391 1HG2 THR 51 1HG2 THR 51 2.454 3.015 9.215 392 2HG2 THR 51 2HG2 THR 51 4.133 3.052 9.752 393 3HG2 THR 51 3HG2 THR 51 3.648 1.962 8.453 394 H SER 52 H SER 52 5.986 4.050 6.349 395 HA SER 52 HA SER 52 6.680 1.389 5.286 396 1HB SER 52 2HB SER 52 7.271 4.004 4.264 397 2HB SER 52 1HB SER 52 8.777 3.197 4.700 398 HG SER 52 HG SER 52 7.769 1.340 3.490 399 H ARG 53 H ARG 53 7.711 4.029 7.402 400 HA ARG 53 HA ARG 53 9.047 4.062 9.236 401 1HB ARG 53 2HB ARG 53 8.920 2.289 10.654 402 2HB ARG 53 1HB ARG 53 7.700 1.761 9.512 403 1HG ARG 53 2HG ARG 53 8.814 -0.155 9.419 404 2HG ARG 53 1HG ARG 53 10.043 0.697 8.487 405 1HD ARG 53 2HD ARG 53 10.996 -0.525 10.399 406 2HD ARG 53 1HD ARG 53 11.265 1.214 10.513 407 HE ARG 53 HE ARG 53 8.922 0.244 11.900 408 1HH1 ARG 53 1HH1 ARG 53 12.320 0.994 12.121 409 2HH1 ARG 53 2HH1 ARG 53 12.291 1.201 13.840 410 1HH2 ARG 53 1HH2 ARG 53 8.878 0.515 14.160 411 2HH2 ARG 53 2HH2 ARG 53 10.337 0.928 14.998 412 H TYR 54 H TYR 54 9.982 3.454 6.321 413 HA TYR 54 HA TYR 54 12.747 3.756 6.773 414 1HB TYR 54 2HB TYR 54 11.711 1.029 6.058 415 2HB TYR 54 1HB TYR 54 13.254 1.568 5.403 416 HD1 TYR 54 1HD TYR 54 11.920 -0.364 7.874 417 HD2 TYR 54 2HD TYR 54 14.716 2.810 7.409 418 HE1 TYR 54 1HE TYR 54 13.038 -1.050 9.954 419 HE2 TYR 54 2HE TYR 54 15.840 2.132 9.488 420 HH TYR 54 HH TYR 54 15.992 -0.259 10.801 421 H ASP 55 H ASP 55 13.900 3.567 4.506 422 HA ASP 55 HA ASP 55 12.061 4.830 2.617 423 1HB ASP 55 2HB ASP 55 15.016 4.680 2.151 424 2HB ASP 55 1HB ASP 55 13.868 5.920 1.655 425 H GLY 56 H GLY 56 11.309 3.789 0.914 426 1HA GLY 56 2HA GLY 56 12.852 1.501 -0.117 427 2HA GLY 56 1HA GLY 56 11.134 1.342 0.208 428 H VAL 57 H VAL 57 12.155 0.769 -2.285 429 HA VAL 57 HA VAL 57 11.477 3.127 -3.910 430 HB VAL 57 HB VAL 57 12.778 0.576 -4.855 431 1HG1 VAL 57 1HG1 VAL 57 13.109 3.148 -6.272 432 2HG1 VAL 57 2HG1 VAL 57 11.519 2.391 -6.367 433 3HG1 VAL 57 3HG1 VAL 57 12.948 1.512 -6.909 434 1HG2 VAL 57 1HG2 VAL 57 13.874 2.820 -3.383 435 2HG2 VAL 57 2HG2 VAL 57 14.663 2.605 -4.945 436 3HG2 VAL 57 3HG2 VAL 57 14.611 1.271 -3.793 437 H ILE 58 H ILE 58 9.541 3.252 -4.792 438 HA ILE 58 HA ILE 58 7.933 0.818 -5.136 439 HB ILE 58 HB ILE 58 7.006 3.683 -5.367 440 1HG1 ILE 58 2HG1 ILE 58 6.839 1.816 -2.997 441 2HG1 ILE 58 1HG1 ILE 58 7.949 3.178 -3.124 442 1HG2 ILE 58 1HG2 ILE 58 5.679 1.024 -5.403 443 2HG2 ILE 58 2HG2 ILE 58 5.334 2.472 -6.350 444 3HG2 ILE 58 3HG2 ILE 58 4.826 2.380 -4.661 445 1HD1 ILE 58 1HD1 ILE 58 6.371 4.667 -2.587 446 2HD1 ILE 58 2HD1 ILE 58 5.516 3.266 -1.939 447 3HD1 ILE 58 3HD1 ILE 58 5.138 3.862 -3.555 448 H LYS 59 H LYS 59 7.548 0.015 -7.096 449 HA LYS 59 HA LYS 59 8.592 1.490 -9.392 450 1HB LYS 59 2HB LYS 59 9.269 -0.901 -8.772 451 2HB LYS 59 1HB LYS 59 7.704 -1.376 -9.418 452 1HG LYS 59 2HG LYS 59 8.303 -0.378 -11.575 453 2HG LYS 59 1HG LYS 59 9.882 0.062 -10.921 454 1HD LYS 59 2HD LYS 59 10.134 -2.436 -10.383 455 2HD LYS 59 1HD LYS 59 8.773 -2.672 -11.481 456 1HE LYS 59 2HE LYS 59 10.022 -2.281 -13.304 457 2HE LYS 59 1HE LYS 59 10.886 -0.946 -12.542 458 1HZ LYS 59 1HZ LYS 59 12.092 -2.764 -11.252 459 2HZ LYS 59 2HZ LYS 59 12.499 -2.568 -12.882 460 3HZ LYS 59 3HZ LYS 59 11.483 -3.836 -12.411 461 H LYS 60 H LYS 60 5.543 -0.081 -8.376 462 HA LYS 60 HA LYS 60 4.248 1.429 -10.527 463 1HB LYS 60 2HB LYS 60 3.036 -1.194 -10.317 464 2HB LYS 60 1HB LYS 60 3.579 -0.320 -11.739 465 1HG LYS 60 2HG LYS 60 4.859 -2.237 -11.799 466 2HG LYS 60 1HG LYS 60 5.941 -1.082 -11.019 467 1HD LYS 60 2HD LYS 60 5.366 -1.972 -8.833 468 2HD LYS 60 1HD LYS 60 4.198 -3.075 -9.569 469 1HE LYS 60 2HE LYS 60 7.080 -3.115 -10.394 470 2HE LYS 60 1HE LYS 60 6.544 -3.973 -8.955 471 1HZ LYS 60 1HZ LYS 60 5.905 -5.629 -10.252 472 2HZ LYS 60 2HZ LYS 60 6.344 -4.769 -11.640 473 3HZ LYS 60 3HZ LYS 60 4.781 -4.616 -11.010 474 H LEU 61 H LEU 61 2.200 2.052 -10.208 475 HA LEU 61 HA LEU 61 0.760 1.173 -7.820 476 1HB LEU 61 2HB LEU 61 1.419 4.028 -8.542 477 2HB LEU 61 1HB LEU 61 0.106 3.607 -7.457 478 HG LEU 61 HG LEU 61 2.641 2.374 -6.696 479 1HD1 LEU 61 1HD1 LEU 61 2.790 5.136 -5.895 480 2HD1 LEU 61 2HD1 LEU 61 2.862 4.983 -7.650 481 3HD1 LEU 61 3HD1 LEU 61 4.018 4.113 -6.641 482 1HD2 LEU 61 1HD2 LEU 61 1.143 4.289 -4.996 483 2HD2 LEU 61 2HD2 LEU 61 1.862 2.732 -4.587 484 3HD2 LEU 61 3HD2 LEU 61 0.334 2.794 -5.464 485 H TYR 62 H TYR 62 -1.234 0.567 -8.441 486 HA TYR 62 HA TYR 62 -2.235 1.596 -10.996 487 1HB TYR 62 2HB TYR 62 -1.949 -0.914 -10.479 488 2HB TYR 62 1HB TYR 62 -3.412 -0.737 -9.515 489 HD1 TYR 62 1HD TYR 62 -2.259 -1.745 -12.596 490 HD2 TYR 62 2HD TYR 62 -5.318 0.670 -10.889 491 HE1 TYR 62 1HE TYR 62 -3.613 -2.035 -14.627 492 HE2 TYR 62 2HE TYR 62 -6.681 0.386 -12.917 493 HH TYR 62 HH TYR 62 -6.914 -0.855 -14.823 494 H TYR 63 H TYR 63 -3.347 1.020 -7.662 495 HA TYR 63 HA TYR 63 -5.868 2.331 -8.213 496 1HB TYR 63 2HB TYR 63 -4.720 1.247 -5.634 497 2HB TYR 63 1HB TYR 63 -6.358 1.865 -5.830 498 HD1 TYR 63 1HD TYR 63 -6.950 0.703 -8.542 499 HD2 TYR 63 2HD TYR 63 -5.156 -1.009 -5.084 500 HE1 TYR 63 1HE TYR 63 -7.711 -1.523 -9.259 501 HE2 TYR 63 2HE TYR 63 -5.910 -3.242 -5.793 502 HH TYR 63 HH TYR 63 -7.295 -4.357 -7.213 503 H ASN 64 H ASN 64 -6.437 4.363 -7.738 504 HA ASN 64 HA ASN 64 -4.405 6.100 -6.527 505 1HB ASN 64 2HB ASN 64 -6.764 6.884 -8.245 506 2HB ASN 64 1HB ASN 64 -5.481 7.955 -7.671 507 1HD2 ASN 64 1HD2 ASN 64 -3.212 7.014 -8.241 508 2HD2 ASN 64 2HD2 ASN 64 -3.024 6.538 -9.891 509 H LEU 65 H LEU 65 -5.798 8.254 -5.865 510 HA LEU 65 HA LEU 65 -6.868 7.667 -3.363 511 1HB LEU 65 2HB LEU 65 -6.721 10.076 -5.118 512 2HB LEU 65 1HB LEU 65 -7.673 10.137 -3.654 513 HG LEU 65 HG LEU 65 -4.958 9.091 -3.282 514 1HD1 LEU 65 1HD1 LEU 65 -4.732 10.888 -5.065 515 2HD1 LEU 65 2HD1 LEU 65 -3.773 11.091 -3.599 516 3HD1 LEU 65 3HD1 LEU 65 -5.249 12.030 -3.824 517 1HD2 LEU 65 1HD2 LEU 65 -5.766 9.536 -1.243 518 2HD2 LEU 65 2HD2 LEU 65 -6.976 10.661 -1.859 519 3HD2 LEU 65 3HD2 LEU 65 -5.319 11.205 -1.594 520 H ASP 66 H ASP 66 -8.346 7.658 -6.458 521 HA ASP 66 HA ASP 66 -11.023 7.898 -5.276 522 1HB ASP 66 2HB ASP 66 -10.535 9.394 -7.163 523 2HB ASP 66 1HB ASP 66 -10.165 8.002 -8.175 524 H ASP 67 H ASP 67 -8.865 5.686 -6.846 525 HA ASP 67 HA ASP 67 -10.863 3.789 -7.599 526 1HB ASP 67 2HB ASP 67 -7.920 3.255 -7.238 527 2HB ASP 67 1HB ASP 67 -9.060 2.357 -8.232 528 H ILE 68 H ILE 68 -11.154 1.699 -6.799 529 HA ILE 68 HA ILE 68 -10.816 1.459 -3.882 530 HB ILE 68 HB ILE 68 -12.662 -0.056 -5.736 531 1HG1 ILE 68 2HG1 ILE 68 -13.108 2.454 -5.297 532 2HG1 ILE 68 1HG1 ILE 68 -14.432 1.316 -5.076 533 1HG2 ILE 68 1HG2 ILE 68 -12.872 -1.522 -4.097 534 2HG2 ILE 68 2HG2 ILE 68 -13.531 -0.254 -3.067 535 3HG2 ILE 68 3HG2 ILE 68 -11.797 -0.589 -3.056 536 1HD1 ILE 68 1HD1 ILE 68 -12.713 2.297 -2.818 537 2HD1 ILE 68 2HD1 ILE 68 -14.243 1.423 -2.720 538 3HD1 ILE 68 3HD1 ILE 68 -14.211 3.082 -3.319 539 H ALA 69 H ALA 69 -9.888 -0.301 -2.983 540 HA ALA 69 HA ALA 69 -8.546 -2.148 -4.834 541 1HB ALA 69 1HB ALA 69 -7.684 -1.653 -2.005 542 2HB ALA 69 2HB ALA 69 -7.159 -0.611 -3.325 543 3HB ALA 69 3HB ALA 69 -6.754 -2.328 -3.341 544 H TYR 70 H TYR 70 -8.486 -4.363 -4.282 545 HA TYR 70 HA TYR 70 -10.538 -5.189 -2.334 546 1HB TYR 70 2HB TYR 70 -9.881 -7.028 -4.568 547 2HB TYR 70 1HB TYR 70 -11.425 -6.714 -3.787 548 HD1 TYR 70 1HD TYR 70 -11.627 -3.761 -4.182 549 HD2 TYR 70 2HD TYR 70 -10.381 -6.839 -6.840 550 HE1 TYR 70 1HE TYR 70 -12.303 -2.374 -6.093 551 HE2 TYR 70 2HE TYR 70 -11.053 -5.459 -8.760 552 HH TYR 70 HH TYR 70 -11.338 -2.907 -9.185 553 H VAL 71 H VAL 71 -10.013 -6.748 -0.891 554 HA VAL 71 HA VAL 71 -7.264 -7.337 -0.464 555 HB VAL 71 HB VAL 71 -8.806 -7.139 1.411 556 1HG1 VAL 71 1HG1 VAL 71 -10.104 -9.590 0.234 557 2HG1 VAL 71 2HG1 VAL 71 -10.826 -7.996 0.453 558 3HG1 VAL 71 3HG1 VAL 71 -10.423 -8.982 1.858 559 1HG2 VAL 71 1HG2 VAL 71 -8.228 -9.920 1.874 560 2HG2 VAL 71 2HG2 VAL 71 -7.477 -8.488 2.579 561 3HG2 VAL 71 3HG2 VAL 71 -6.879 -9.137 1.051 562 H GLY 72 H GLY 72 -6.101 -9.178 -0.818 563 1HA GLY 72 2HA GLY 72 -6.211 -11.639 -1.171 564 2HA GLY 72 1HA GLY 72 -7.475 -11.305 -2.344 565 H LYS 73 H LYS 73 -5.572 -8.823 -2.949 566 HA LYS 73 HA LYS 73 -3.464 -10.197 -4.382 567 1HB LYS 73 2HB LYS 73 -5.730 -8.774 -5.746 568 2HB LYS 73 1HB LYS 73 -4.161 -8.946 -6.521 569 1HG LYS 73 2HG LYS 73 -5.825 -11.249 -5.526 570 2HG LYS 73 1HG LYS 73 -5.818 -10.663 -7.190 571 1HD LYS 73 2HD LYS 73 -3.295 -11.501 -5.789 572 2HD LYS 73 1HD LYS 73 -4.321 -12.659 -6.636 573 1HE LYS 73 2HE LYS 73 -4.112 -10.804 -8.546 574 2HE LYS 73 1HE LYS 73 -2.591 -10.505 -7.704 575 1HZ LYS 73 1HZ LYS 73 -3.455 -12.868 -9.200 576 2HZ LYS 73 2HZ LYS 73 -2.424 -13.102 -7.880 577 3HZ LYS 73 3HZ LYS 73 -1.944 -12.108 -9.161 578 HA PRO 74 HA PRO 74 -1.493 -6.369 -3.203 579 1HB PRO 74 2HB PRO 74 0.723 -7.064 -4.949 580 2HB PRO 74 1HB PRO 74 0.675 -7.000 -3.187 581 1HG PRO 74 2HG PRO 74 0.894 -9.317 -4.605 582 2HG PRO 74 1HG PRO 74 0.169 -9.217 -2.992 583 1HD PRO 74 2HD PRO 74 -1.154 -9.420 -5.660 584 2HD PRO 74 1HD PRO 74 -1.617 -10.137 -4.103 585 H LEU 75 H LEU 75 -0.944 -4.352 -4.107 586 HA LEU 75 HA LEU 75 -1.582 -4.122 -6.967 587 1HB LEU 75 2HB LEU 75 -2.357 -1.776 -6.402 588 2HB LEU 75 1HB LEU 75 -3.389 -3.100 -5.905 589 HG LEU 75 HG LEU 75 -3.145 -1.222 -4.253 590 1HD1 LEU 75 1HD1 LEU 75 -3.924 -2.805 -2.915 591 2HD1 LEU 75 2HD1 LEU 75 -2.257 -3.215 -2.503 592 3HD1 LEU 75 3HD1 LEU 75 -3.071 -4.056 -3.822 593 1HD2 LEU 75 1HD2 LEU 75 -0.602 -1.098 -4.741 594 2HD2 LEU 75 2HD2 LEU 75 -0.487 -2.379 -3.533 595 3HD2 LEU 75 3HD2 LEU 75 -1.185 -0.819 -3.101 596 H VAL 76 H VAL 76 0.747 -3.471 -4.516 597 HA VAL 76 HA VAL 76 2.348 -2.083 -6.548 598 HB VAL 76 HB VAL 76 1.312 -0.345 -5.105 599 1HG1 VAL 76 1HG1 VAL 76 2.308 -0.086 -2.807 600 2HG1 VAL 76 2HG1 VAL 76 2.908 -1.737 -2.963 601 3HG1 VAL 76 3HG1 VAL 76 1.173 -1.423 -2.989 602 1HG2 VAL 76 1HG2 VAL 76 4.097 0.001 -4.366 603 2HG2 VAL 76 2HG2 VAL 76 3.107 0.920 -5.499 604 3HG2 VAL 76 3HG2 VAL 76 3.913 -0.557 -6.029 605 H ASP 77 H ASP 77 4.543 -2.318 -6.426 606 HA ASP 77 HA ASP 77 5.547 -4.249 -4.438 607 1HB ASP 77 2HB ASP 77 6.878 -3.683 -7.080 608 2HB ASP 77 1HB ASP 77 7.078 -5.081 -6.032 609 H ILE 78 H ILE 78 7.039 -3.499 -3.047 610 HA ILE 78 HA ILE 78 8.589 -1.118 -3.810 611 HB ILE 78 HB ILE 78 7.598 -1.414 -1.002 612 1HG1 ILE 78 2HG1 ILE 78 5.878 0.430 -2.041 613 2HG1 ILE 78 1HG1 ILE 78 5.995 -0.710 -3.378 614 1HG2 ILE 78 1HG2 ILE 78 8.524 0.880 -2.713 615 2HG2 ILE 78 2HG2 ILE 78 9.304 0.205 -1.282 616 3HG2 ILE 78 3HG2 ILE 78 7.787 1.092 -1.124 617 1HD1 ILE 78 1HD1 ILE 78 4.711 -2.181 -2.345 618 2HD1 ILE 78 2HD1 ILE 78 4.338 -0.904 -1.188 619 3HD1 ILE 78 3HD1 ILE 78 5.633 -2.053 -0.847 620 H GLU 79 H GLU 79 10.639 -0.900 -2.820 621 HA GLU 79 HA GLU 79 11.668 -3.426 -1.728 622 1HB GLU 79 2HB GLU 79 13.105 -1.005 -2.841 623 2HB GLU 79 1HB GLU 79 13.911 -2.422 -2.184 624 1HG GLU 79 2HG GLU 79 12.100 -3.373 -4.092 625 2HG GLU 79 1HG GLU 79 12.882 -1.970 -4.814 626 H THR 80 H THR 80 11.708 -3.544 0.421 627 HA THR 80 HA THR 80 12.692 -1.248 1.945 628 HB THR 80 HB THR 80 10.834 -2.092 3.695 629 HG1 THR 80 1HG THR 80 9.386 -2.180 1.269 630 1HG2 THR 80 1HG2 THR 80 10.115 0.018 3.494 631 2HG2 THR 80 2HG2 THR 80 9.605 -0.234 1.824 632 3HG2 THR 80 3HG2 THR 80 11.281 0.183 2.182 633 H GLU 81 H GLU 81 13.493 -1.802 4.061 634 HA GLU 81 HA GLU 81 15.005 -4.150 4.129 635 1HB GLU 81 2HB GLU 81 14.893 -1.843 5.625 636 2HB GLU 81 1HB GLU 81 14.341 -3.059 6.769 637 1HG GLU 81 2HG GLU 81 16.818 -3.528 5.172 638 2HG GLU 81 1HG GLU 81 16.863 -2.492 6.597 639 H ALA 82 H ALA 82 14.839 -6.006 5.509 640 HA ALA 82 HA ALA 82 12.552 -7.461 5.361 641 1HB ALA 82 1HB ALA 82 13.595 -9.028 6.632 642 2HB ALA 82 2HB ALA 82 14.117 -7.859 7.845 643 3HB ALA 82 3HB ALA 82 14.982 -7.986 6.313 644 H LEU 83 H LEU 83 10.564 -6.910 5.977 645 HA LEU 83 HA LEU 83 10.193 -5.870 8.708 646 1HB LEU 83 2HB LEU 83 9.493 -4.653 6.248 647 2HB LEU 83 1HB LEU 83 7.998 -5.154 7.014 648 HG LEU 83 HG LEU 83 8.738 -3.924 9.078 649 1HD1 LEU 83 1HD1 LEU 83 10.470 -2.040 8.127 650 2HD1 LEU 83 2HD1 LEU 83 11.088 -3.517 7.387 651 3HD1 LEU 83 3HD1 LEU 83 10.916 -3.414 9.139 652 1HD2 LEU 83 1HD2 LEU 83 8.705 -1.725 7.238 653 2HD2 LEU 83 2HD2 LEU 83 7.433 -2.298 8.317 654 3HD2 LEU 83 3HD2 LEU 83 7.588 -2.979 6.698 655 H LYS 84 H LYS 84 8.715 -6.862 9.960 656 HA LYS 84 HA LYS 84 7.782 -9.423 9.303 657 1HB LYS 84 2HB LYS 84 6.578 -7.668 11.437 658 2HB LYS 84 1HB LYS 84 6.687 -9.422 11.412 659 1HG LYS 84 2HG LYS 84 9.203 -9.126 11.485 660 2HG LYS 84 1HG LYS 84 8.887 -7.431 11.864 661 1HD LYS 84 2HD LYS 84 7.234 -8.854 13.590 662 2HD LYS 84 1HD LYS 84 8.744 -9.768 13.571 663 1HE LYS 84 2HE LYS 84 9.999 -7.847 14.227 664 2HE LYS 84 1HE LYS 84 8.604 -6.791 14.006 665 1HZ LYS 84 1HZ LYS 84 8.743 -8.974 16.013 666 2HZ LYS 84 2HZ LYS 84 7.521 -7.814 15.858 667 3HZ LYS 84 3HZ LYS 84 9.070 -7.349 16.351 668 H ASP 85 H ASP 85 6.449 -6.304 8.696 669 HA ASP 85 HA ASP 85 3.762 -6.577 8.622 670 1HB ASP 85 2HB ASP 85 5.661 -4.897 7.356 671 2HB ASP 85 1HB ASP 85 4.513 -5.403 6.120 672 H LEU 86 H LEU 86 5.974 -7.765 6.103 673 HA LEU 86 HA LEU 86 3.724 -9.209 4.885 674 1HB LEU 86 2HB LEU 86 5.576 -7.641 3.688 675 2HB LEU 86 1HB LEU 86 6.356 -9.204 3.544 676 HG LEU 86 HG LEU 86 4.223 -10.051 2.481 677 1HD1 LEU 86 1HD1 LEU 86 3.482 -7.309 1.726 678 2HD1 LEU 86 2HD1 LEU 86 3.115 -7.763 3.390 679 3HD1 LEU 86 3HD1 LEU 86 2.468 -8.715 2.054 680 1HD2 LEU 86 1HD2 LEU 86 6.047 -9.681 1.048 681 2HD2 LEU 86 2HD2 LEU 86 5.925 -7.929 1.206 682 3HD2 LEU 86 3HD2 LEU 86 4.700 -8.820 0.304 683 H GLU 87 H GLU 87 6.766 -9.633 6.513 684 HA GLU 87 HA GLU 87 6.234 -12.348 7.107 685 1HB GLU 87 2HB GLU 87 8.412 -13.136 5.890 686 2HB GLU 87 1HB GLU 87 6.892 -13.059 5.011 687 1HG GLU 87 2HG GLU 87 7.547 -11.277 3.749 688 2HG GLU 87 1HG GLU 87 8.641 -10.662 4.987 Start of MODEL 17 1 1H MET 1 1HT MET 1 20.613 8.635 0.529 2 2H MET 1 2HT MET 1 19.974 8.522 -1.033 3 3H MET 1 3HT MET 1 19.404 7.501 0.189 4 HA MET 1 HA MET 1 19.094 10.448 0.122 5 1HB MET 1 2HB MET 1 17.573 8.242 -1.007 6 2HB MET 1 1HB MET 1 16.598 9.204 0.096 7 1HG MET 1 2HG MET 1 16.242 10.222 -1.944 8 2HG MET 1 1HG MET 1 17.493 11.226 -1.213 9 1HE MET 1 1HE MET 1 16.926 11.777 -3.715 10 2HE MET 1 2HE MET 1 17.126 10.596 -5.010 11 3HE MET 1 3HE MET 1 18.420 11.738 -4.650 12 H GLY 2 H GLY 2 17.154 7.803 1.461 13 1HA GLY 2 2HA GLY 2 17.299 7.229 3.842 14 2HA GLY 2 1HA GLY 2 17.639 8.924 4.151 15 H GLN 3 H GLN 3 15.386 9.143 1.853 16 HA GLN 3 HA GLN 3 13.249 9.456 3.812 17 1HB GLN 3 2HB GLN 3 13.352 10.288 0.907 18 2HB GLN 3 1HB GLN 3 12.097 10.717 2.061 19 1HG GLN 3 2HG GLN 3 13.440 12.608 1.950 20 2HG GLN 3 1HG GLN 3 13.965 11.796 3.424 21 1HE2 GLN 3 1HE2 GLN 3 15.941 12.932 3.281 22 2HE2 GLN 3 2HE2 GLN 3 17.178 12.435 2.183 23 H VAL 4 H VAL 4 11.129 8.620 3.444 24 HA VAL 4 HA VAL 4 11.121 6.210 1.750 25 HB VAL 4 HB VAL 4 9.563 5.170 3.289 26 1HG1 VAL 4 1HG1 VAL 4 11.502 4.430 4.114 27 2HG1 VAL 4 2HG1 VAL 4 11.195 5.546 5.445 28 3HG1 VAL 4 3HG1 VAL 4 12.229 6.038 4.103 29 1HG2 VAL 4 1HG2 VAL 4 9.140 6.292 5.512 30 2HG2 VAL 4 2HG2 VAL 4 8.295 6.976 4.123 31 3HG2 VAL 4 3HG2 VAL 4 9.725 7.782 4.769 32 H VAL 5 H VAL 5 9.300 5.699 0.585 33 HA VAL 5 HA VAL 5 7.467 7.926 0.061 34 HB VAL 5 HB VAL 5 6.856 6.715 -1.979 35 1HG1 VAL 5 1HG1 VAL 5 9.713 7.327 -1.406 36 2HG1 VAL 5 2HG1 VAL 5 8.580 8.132 -2.492 37 3HG1 VAL 5 3HG1 VAL 5 9.297 6.588 -2.953 38 1HG2 VAL 5 1HG2 VAL 5 8.812 4.629 -1.011 39 2HG2 VAL 5 2HG2 VAL 5 8.085 4.665 -2.617 40 3HG2 VAL 5 3HG2 VAL 5 7.068 4.434 -1.194 41 H GLN 6 H GLN 6 5.412 7.833 0.757 42 HA GLN 6 HA GLN 6 4.523 5.346 2.004 43 1HB GLN 6 2HB GLN 6 3.356 8.117 2.235 44 2HB GLN 6 1HB GLN 6 2.902 6.712 3.191 45 1HG GLN 6 2HG GLN 6 4.321 7.664 4.663 46 2HG GLN 6 1HG GLN 6 5.500 6.735 3.738 47 1HE2 GLN 6 1HE2 GLN 6 3.810 9.792 3.111 48 2HE2 GLN 6 2HE2 GLN 6 5.239 10.728 2.859 49 H PHE 7 H PHE 7 2.758 4.243 1.445 50 HA PHE 7 HA PHE 7 1.429 5.035 -1.036 51 1HB PHE 7 2HB PHE 7 2.352 2.848 -1.205 52 2HB PHE 7 1HB PHE 7 1.746 2.389 0.382 53 HD1 PHE 7 1HD PHE 7 -0.708 2.081 0.701 54 HD2 PHE 7 2HD PHE 7 1.056 2.537 -3.141 55 HE1 PHE 7 1HE PHE 7 -2.723 1.132 -0.328 56 HE2 PHE 7 2HE PHE 7 -0.958 1.588 -4.182 57 HZ PHE 7 HZ PHE 7 -2.855 0.881 -2.777 58 H LYS 8 H LYS 8 -0.729 5.390 -1.140 59 HA LYS 8 HA LYS 8 -2.283 5.087 1.339 60 1HB LYS 8 2HB LYS 8 -3.283 7.219 1.064 61 2HB LYS 8 1HB LYS 8 -1.558 7.466 0.843 62 1HG LYS 8 2HG LYS 8 -2.724 6.910 -1.693 63 2HG LYS 8 1HG LYS 8 -3.661 8.173 -0.893 64 1HD LYS 8 2HD LYS 8 -0.671 8.186 -1.301 65 2HD LYS 8 1HD LYS 8 -1.842 9.110 -2.243 66 1HE LYS 8 2HE LYS 8 -1.923 9.428 0.701 67 2HE LYS 8 1HE LYS 8 -0.540 10.125 -0.142 68 1HZ LYS 8 1HZ LYS 8 -2.076 11.830 -0.152 69 2HZ LYS 8 2HZ LYS 8 -3.396 10.802 -0.401 70 3HZ LYS 8 3HZ LYS 8 -2.329 11.129 -1.672 71 H LEU 9 H LEU 9 -4.436 4.518 1.128 72 HA LEU 9 HA LEU 9 -5.238 2.834 -0.886 73 1HB LEU 9 2HB LEU 9 -6.329 3.212 1.344 74 2HB LEU 9 1HB LEU 9 -7.065 4.656 0.685 75 HG LEU 9 HG LEU 9 -8.659 2.830 0.737 76 1HD1 LEU 9 1HD1 LEU 9 -9.607 3.294 -1.249 77 2HD1 LEU 9 2HD1 LEU 9 -8.128 2.987 -2.159 78 3HD1 LEU 9 3HD1 LEU 9 -8.333 4.509 -1.293 79 1HD2 LEU 9 1HD2 LEU 9 -8.013 0.750 0.416 80 2HD2 LEU 9 2HD2 LEU 9 -6.447 1.285 -0.205 81 3HD2 LEU 9 3HD2 LEU 9 -7.820 1.115 -1.301 82 H SER 10 H SER 10 -6.062 3.060 -2.918 83 HA SER 10 HA SER 10 -6.774 5.774 -3.806 84 1HB SER 10 2HB SER 10 -5.404 3.882 -5.684 85 2HB SER 10 1HB SER 10 -5.463 5.644 -5.720 86 HG SER 10 HG SER 10 -3.846 3.940 -4.189 87 H ASP 11 H ASP 11 -7.947 5.728 -5.950 88 HA ASP 11 HA ASP 11 -9.507 4.896 -7.422 89 1HB ASP 11 2HB ASP 11 -8.526 2.519 -6.481 90 2HB ASP 11 1HB ASP 11 -10.215 2.434 -5.989 91 H ILE 12 H ILE 12 -9.904 4.931 -3.986 92 HA ILE 12 HA ILE 12 -12.806 5.080 -4.203 93 HB ILE 12 HB ILE 12 -10.914 4.837 -1.872 94 1HG1 ILE 12 2HG1 ILE 12 -12.554 2.891 -1.437 95 2HG1 ILE 12 1HG1 ILE 12 -13.099 3.171 -3.087 96 1HG2 ILE 12 1HG2 ILE 12 -12.837 4.916 -0.344 97 2HG2 ILE 12 2HG2 ILE 12 -13.871 5.403 -1.686 98 3HG2 ILE 12 3HG2 ILE 12 -12.567 6.461 -1.150 99 1HD1 ILE 12 1HD1 ILE 12 -10.663 1.897 -2.095 100 2HD1 ILE 12 2HD1 ILE 12 -10.398 3.042 -3.410 101 3HD1 ILE 12 3HD1 ILE 12 -11.514 1.694 -3.628 102 H GLY 13 H GLY 13 -13.921 6.839 -2.970 103 1HA GLY 13 2HA GLY 13 -12.515 9.396 -3.390 104 2HA GLY 13 1HA GLY 13 -14.244 9.172 -3.608 105 H GLU 14 H GLU 14 -13.515 11.226 -2.088 106 HA GLU 14 HA GLU 14 -12.950 10.988 0.562 107 1HB GLU 14 2HB GLU 14 -14.033 13.072 0.915 108 2HB GLU 14 1HB GLU 14 -13.405 13.106 -0.727 109 1HG GLU 14 2HG GLU 14 -15.812 12.252 -1.326 110 2HG GLU 14 1HG GLU 14 -16.218 12.979 0.228 111 H GLY 15 H GLY 15 -16.014 10.198 -0.994 112 1HA GLY 15 2HA GLY 15 -16.795 8.673 1.327 113 2HA GLY 15 1HA GLY 15 -17.782 10.101 1.068 114 H ILE 16 H ILE 16 -16.481 7.379 -0.839 115 HA ILE 16 HA ILE 16 -19.136 7.151 -2.099 116 HB ILE 16 HB ILE 16 -18.153 6.434 -4.136 117 1HG1 ILE 16 2HG1 ILE 16 -15.461 6.575 -4.122 118 2HG1 ILE 16 1HG1 ILE 16 -15.719 6.028 -2.468 119 1HG2 ILE 16 1HG2 ILE 16 -18.033 8.918 -3.398 120 2HG2 ILE 16 2HG2 ILE 16 -17.205 8.402 -4.867 121 3HG2 ILE 16 3HG2 ILE 16 -16.291 8.640 -3.378 122 1HD1 ILE 16 1HD1 ILE 16 -16.349 4.650 -5.038 123 2HD1 ILE 16 2HD1 ILE 16 -17.219 4.230 -3.563 124 3HD1 ILE 16 3HD1 ILE 16 -15.465 4.058 -3.632 125 H ARG 17 H ARG 17 -16.376 5.468 -0.784 126 HA ARG 17 HA ARG 17 -17.457 3.428 0.528 127 1HB ARG 17 2HB ARG 17 -18.722 2.575 -1.322 128 2HB ARG 17 1HB ARG 17 -17.339 2.677 -2.402 129 1HG ARG 17 2HG ARG 17 -16.248 0.936 -0.884 130 2HG ARG 17 1HG ARG 17 -17.859 0.705 -0.203 131 1HD ARG 17 2HD ARG 17 -17.043 0.351 -3.083 132 2HD ARG 17 1HD ARG 17 -17.460 -0.925 -1.941 133 HE ARG 17 HE ARG 17 -19.573 0.966 -2.261 134 1HH1 ARG 17 1HH1 ARG 17 -18.052 -1.820 -3.692 135 2HH1 ARG 17 2HH1 ARG 17 -19.478 -2.330 -4.532 136 1HH2 ARG 17 1HH2 ARG 17 -21.457 0.306 -3.366 137 2HH2 ARG 17 2HH2 ARG 17 -21.414 -1.120 -4.348 138 H GLU 18 H GLU 18 -15.807 2.352 1.504 139 HA GLU 18 HA GLU 18 -13.139 2.840 0.409 140 1HB GLU 18 2HB GLU 18 -14.085 2.063 3.165 141 2HB GLU 18 1HB GLU 18 -12.386 2.154 2.713 142 1HG GLU 18 2HG GLU 18 -12.358 4.392 2.774 143 2HG GLU 18 1HG GLU 18 -13.955 4.535 2.037 144 H VAL 19 H VAL 19 -11.493 1.043 0.810 145 HA VAL 19 HA VAL 19 -12.795 -1.541 0.199 146 HB VAL 19 HB VAL 19 -11.724 -0.524 -1.785 147 1HG1 VAL 19 1HG1 VAL 19 -9.342 -0.304 -1.941 148 2HG1 VAL 19 2HG1 VAL 19 -9.128 -0.969 -0.322 149 3HG1 VAL 19 3HG1 VAL 19 -9.895 0.605 -0.534 150 1HG2 VAL 19 1HG2 VAL 19 -10.443 -3.063 -0.777 151 2HG2 VAL 19 2HG2 VAL 19 -10.456 -2.523 -2.455 152 3HG2 VAL 19 3HG2 VAL 19 -11.970 -2.934 -1.649 153 H THR 20 H THR 20 -11.846 -3.433 0.887 154 HA THR 20 HA THR 20 -10.071 -3.146 3.204 155 HB THR 20 HB THR 20 -11.164 -5.813 2.562 156 HG1 THR 20 1HG THR 20 -13.241 -5.329 2.840 157 1HG2 THR 20 1HG2 THR 20 -11.683 -5.746 5.004 158 2HG2 THR 20 2HG2 THR 20 -11.010 -4.119 5.053 159 3HG2 THR 20 3HG2 THR 20 -9.981 -5.483 4.624 160 H VAL 21 H VAL 21 -8.275 -4.588 3.465 161 HA VAL 21 HA VAL 21 -6.907 -5.084 0.968 162 HB VAL 21 HB VAL 21 -5.991 -5.813 3.751 163 1HG1 VAL 21 1HG1 VAL 21 -3.727 -5.576 2.611 164 2HG1 VAL 21 2HG1 VAL 21 -4.611 -5.629 1.090 165 3HG1 VAL 21 3HG1 VAL 21 -4.681 -6.999 2.196 166 1HG2 VAL 21 1HG2 VAL 21 -4.560 -3.653 3.246 167 2HG2 VAL 21 2HG2 VAL 21 -6.165 -3.542 3.969 168 3HG2 VAL 21 3HG2 VAL 21 -5.953 -3.251 2.241 169 H LYS 22 H LYS 22 -6.829 -6.941 -0.124 170 HA LYS 22 HA LYS 22 -8.152 -9.274 1.020 171 1HB LYS 22 2HB LYS 22 -8.721 -8.380 -1.272 172 2HB LYS 22 1HB LYS 22 -7.133 -8.921 -1.800 173 1HG LYS 22 2HG LYS 22 -8.300 -10.752 -2.402 174 2HG LYS 22 1HG LYS 22 -8.018 -11.198 -0.718 175 1HD LYS 22 2HD LYS 22 -10.210 -10.161 -0.146 176 2HD LYS 22 1HD LYS 22 -10.491 -9.911 -1.870 177 1HE LYS 22 2HE LYS 22 -9.885 -12.619 -0.712 178 2HE LYS 22 1HE LYS 22 -11.527 -11.985 -0.812 179 1HZ LYS 22 1HZ LYS 22 -11.521 -12.911 -2.828 180 2HZ LYS 22 2HZ LYS 22 -9.836 -13.038 -2.892 181 3HZ LYS 22 3HZ LYS 22 -10.589 -11.582 -3.308 182 H GLU 23 H GLU 23 -4.989 -8.193 0.020 183 HA GLU 23 HA GLU 23 -3.876 -10.694 1.058 184 1HB GLU 23 2HB GLU 23 -4.061 -10.430 -1.593 185 2HB GLU 23 1HB GLU 23 -2.554 -9.559 -1.348 186 1HG GLU 23 2HG GLU 23 -1.630 -11.584 -1.571 187 2HG GLU 23 1HG GLU 23 -2.085 -11.772 0.122 188 H TRP 24 H TRP 24 -2.112 -10.450 2.284 189 HA TRP 24 HA TRP 24 -0.682 -7.879 2.219 190 1HB TRP 24 2HB TRP 24 -2.115 -9.141 4.468 191 2HB TRP 24 1HB TRP 24 -0.490 -8.590 4.856 192 HD1 TRP 24 HD TRP 24 -3.811 -7.391 5.134 193 HE1 TRP 24 1HE TRP 24 -3.960 -4.824 5.095 194 HE3 TRP 24 3HE TRP 24 0.816 -6.354 3.249 195 HZ2 TRP 24 2HZ TRP 24 -2.327 -2.646 4.360 196 HZ3 TRP 24 3HZ TRP 24 1.448 -4.001 2.909 197 HH2 TRP 24 HH TRP 24 -0.093 -2.187 3.453 198 H TYR 25 H TYR 25 1.368 -8.292 1.655 199 HA TYR 25 HA TYR 25 2.577 -10.806 2.625 200 1HB TYR 25 2HB TYR 25 2.239 -9.928 -0.023 201 2HB TYR 25 1HB TYR 25 3.950 -9.718 0.333 202 HD1 TYR 25 1HD TYR 25 4.674 -11.931 1.987 203 HD2 TYR 25 2HD TYR 25 1.932 -11.846 -1.264 204 HE1 TYR 25 1HE TYR 25 5.046 -14.333 1.619 205 HE2 TYR 25 2HE TYR 25 2.296 -14.249 -1.641 206 HH TYR 25 HH TYR 25 4.825 -15.935 -0.447 207 H VAL 26 H VAL 26 2.566 -8.024 3.780 208 HA VAL 26 HA VAL 26 5.438 -7.907 4.266 209 HB VAL 26 HB VAL 26 5.623 -5.536 3.862 210 1HG1 VAL 26 1HG1 VAL 26 5.197 -5.479 1.404 211 2HG1 VAL 26 2HG1 VAL 26 4.393 -7.035 1.563 212 3HG1 VAL 26 3HG1 VAL 26 6.105 -6.884 1.958 213 1HG2 VAL 26 1HG2 VAL 26 2.812 -5.567 4.099 214 2HG2 VAL 26 2HG2 VAL 26 3.176 -5.001 2.470 215 3HG2 VAL 26 3HG2 VAL 26 3.860 -4.169 3.866 216 H LYS 27 H LYS 27 5.995 -6.648 6.169 217 HA LYS 27 HA LYS 27 3.752 -5.985 7.931 218 1HB LYS 27 2HB LYS 27 6.066 -7.723 8.798 219 2HB LYS 27 1HB LYS 27 4.704 -7.220 9.790 220 1HG LYS 27 2HG LYS 27 3.470 -8.439 7.672 221 2HG LYS 27 1HG LYS 27 4.928 -9.410 7.883 222 1HD LYS 27 2HD LYS 27 4.120 -10.357 9.732 223 2HD LYS 27 1HD LYS 27 3.703 -8.789 10.426 224 1HE LYS 27 2HE LYS 27 1.778 -9.050 8.534 225 2HE LYS 27 1HE LYS 27 2.030 -10.735 8.989 226 1HZ LYS 27 1HZ LYS 27 1.851 -9.797 11.379 227 2HZ LYS 27 2HZ LYS 27 0.440 -10.056 10.482 228 3HZ LYS 27 3HZ LYS 27 1.070 -8.493 10.635 229 H GLU 28 H GLU 28 4.369 -4.667 9.775 230 HA GLU 28 HA GLU 28 5.961 -2.501 9.128 231 1HB GLU 28 2HB GLU 28 5.587 -3.371 11.981 232 2HB GLU 28 1HB GLU 28 5.658 -1.739 11.332 233 1HG GLU 28 2HG GLU 28 3.489 -2.347 10.111 234 2HG GLU 28 1HG GLU 28 3.404 -3.703 11.233 235 H GLY 29 H GLY 29 8.084 -2.002 9.308 236 1HA GLY 29 2HA GLY 29 10.317 -2.208 9.898 237 2HA GLY 29 1HA GLY 29 9.864 -3.498 11.002 238 H ASP 30 H ASP 30 8.539 -4.211 8.044 239 HA ASP 30 HA ASP 30 10.709 -6.095 7.481 240 1HB ASP 30 2HB ASP 30 8.254 -6.800 7.851 241 2HB ASP 30 1HB ASP 30 7.975 -6.168 6.231 242 H THR 31 H THR 31 11.391 -6.497 5.330 243 HA THR 31 HA THR 31 11.276 -4.100 3.647 244 HB THR 31 HB THR 31 13.135 -6.454 3.306 245 HG1 THR 31 1HG THR 31 13.354 -5.362 5.391 246 1HG2 THR 31 1HG2 THR 31 14.399 -5.036 1.907 247 2HG2 THR 31 2HG2 THR 31 13.532 -3.598 2.448 248 3HG2 THR 31 3HG2 THR 31 12.722 -4.782 1.423 249 H VAL 32 H VAL 32 10.824 -4.252 1.421 250 HA VAL 32 HA VAL 32 9.181 -6.577 0.727 251 HB VAL 32 HB VAL 32 8.801 -4.658 -1.270 252 1HG1 VAL 32 1HG1 VAL 32 6.864 -4.691 0.917 253 2HG1 VAL 32 2HG1 VAL 32 7.304 -6.274 0.283 254 3HG1 VAL 32 3HG1 VAL 32 6.649 -5.041 -0.796 255 1HG2 VAL 32 1HG2 VAL 32 8.881 -3.350 1.445 256 2HG2 VAL 32 2HG2 VAL 32 8.014 -2.686 0.061 257 3HG2 VAL 32 3HG2 VAL 32 9.766 -2.876 -0.007 258 H SER 33 H SER 33 9.197 -7.330 -1.486 259 HA SER 33 HA SER 33 11.689 -6.855 -2.953 260 1HB SER 33 2HB SER 33 10.770 -9.418 -1.755 261 2HB SER 33 1HB SER 33 11.453 -9.499 -3.379 262 HG SER 33 HG SER 33 12.774 -8.116 -1.306 263 H GLN 34 H GLN 34 11.574 -7.679 -5.204 264 HA GLN 34 HA GLN 34 9.332 -6.765 -6.548 265 1HB GLN 34 2HB GLN 34 11.740 -7.405 -7.385 266 2HB GLN 34 1HB GLN 34 10.984 -8.948 -7.754 267 1HG GLN 34 2HG GLN 34 9.201 -7.419 -8.933 268 2HG GLN 34 1HG GLN 34 10.543 -6.276 -8.975 269 1HE2 GLN 34 1HE2 GLN 34 9.430 -9.425 -10.009 270 2HE2 GLN 34 2HE2 GLN 34 10.558 -9.615 -11.304 271 H PHE 35 H PHE 35 9.849 -9.816 -5.020 272 HA PHE 35 HA PHE 35 7.537 -10.995 -6.381 273 1HB PHE 35 2HB PHE 35 9.966 -12.079 -5.660 274 2HB PHE 35 1HB PHE 35 8.892 -12.655 -4.390 275 HD1 PHE 35 1HD PHE 35 7.030 -14.134 -4.912 276 HD2 PHE 35 2HD PHE 35 9.722 -12.813 -7.932 277 HE1 PHE 35 1HE PHE 35 6.205 -15.900 -6.415 278 HE2 PHE 35 2HE PHE 35 8.901 -14.576 -9.440 279 HZ PHE 35 HZ PHE 35 7.140 -16.122 -8.682 280 H ASP 36 H ASP 36 8.421 -9.506 -3.422 281 HA ASP 36 HA ASP 36 6.107 -10.658 -2.038 282 1HB ASP 36 2HB ASP 36 8.651 -9.401 -1.152 283 2HB ASP 36 1HB ASP 36 7.238 -9.161 -0.130 284 H SER 37 H SER 37 4.440 -9.518 -3.026 285 HA SER 37 HA SER 37 4.361 -6.744 -3.439 286 1HB SER 37 2HB SER 37 1.780 -7.194 -3.256 287 2HB SER 37 1HB SER 37 2.697 -7.887 -4.593 288 HG SER 37 HG SER 37 1.237 -9.172 -2.841 289 H ILE 38 H ILE 38 3.017 -5.149 -2.281 290 HA ILE 38 HA ILE 38 3.422 -5.436 0.593 291 HB ILE 38 HB ILE 38 2.626 -3.017 -1.032 292 1HG1 ILE 38 2HG1 ILE 38 5.210 -3.946 0.212 293 2HG1 ILE 38 1HG1 ILE 38 4.896 -3.579 -1.480 294 1HG2 ILE 38 1HG2 ILE 38 2.889 -1.713 0.980 295 2HG2 ILE 38 2HG2 ILE 38 3.350 -3.146 1.899 296 3HG2 ILE 38 3HG2 ILE 38 1.707 -2.987 1.276 297 1HD1 ILE 38 1HD1 ILE 38 5.853 -1.622 -1.042 298 2HD1 ILE 38 2HD1 ILE 38 5.695 -1.833 0.702 299 3HD1 ILE 38 3HD1 ILE 38 4.340 -1.203 -0.236 300 H CYS 39 H CYS 39 0.813 -3.650 -0.997 301 HA CYS 39 HA CYS 39 -1.098 -5.183 0.635 302 1HB CYS 39 2HB CYS 39 -2.417 -3.215 0.905 303 2HB CYS 39 1HB CYS 39 -0.755 -2.765 1.266 304 HG CYS 39 HG CYS 39 -0.315 -1.234 -0.883 305 H GLU 40 H GLU 40 -3.059 -5.766 -0.249 306 HA GLU 40 HA GLU 40 -3.486 -5.234 -3.102 307 1HB GLU 40 2HB GLU 40 -2.418 -7.578 -2.417 308 2HB GLU 40 1HB GLU 40 -4.100 -7.970 -2.088 309 1HG GLU 40 2HG GLU 40 -4.153 -6.754 -4.578 310 2HG GLU 40 1HG GLU 40 -2.706 -7.760 -4.607 311 H VAL 41 H VAL 41 -5.555 -4.692 -3.547 312 HA VAL 41 HA VAL 41 -7.602 -5.374 -1.542 313 HB VAL 41 HB VAL 41 -8.648 -3.196 -1.842 314 1HG1 VAL 41 1HG1 VAL 41 -6.143 -2.035 -1.196 315 2HG1 VAL 41 2HG1 VAL 41 -6.152 -3.685 -0.573 316 3HG1 VAL 41 3HG1 VAL 41 -7.424 -2.558 -0.103 317 1HG2 VAL 41 1HG2 VAL 41 -7.080 -3.079 -4.159 318 2HG2 VAL 41 2HG2 VAL 41 -6.479 -1.798 -3.107 319 3HG2 VAL 41 3HG2 VAL 41 -8.186 -1.849 -3.548 320 H GLN 42 H GLN 42 -9.760 -5.514 -2.302 321 HA GLN 42 HA GLN 42 -10.113 -5.636 -5.208 322 1HB GLN 42 2HB GLN 42 -10.728 -7.870 -3.271 323 2HB GLN 42 1HB GLN 42 -11.371 -7.803 -4.906 324 1HG GLN 42 2HG GLN 42 -8.532 -7.434 -4.964 325 2HG GLN 42 1HG GLN 42 -8.934 -8.889 -4.054 326 1HE2 GLN 42 1HE2 GLN 42 -7.606 -9.459 -6.174 327 2HE2 GLN 42 2HE2 GLN 42 -8.591 -10.017 -7.479 328 H SER 43 H SER 43 -11.854 -4.517 -5.763 329 HA SER 43 HA SER 43 -14.094 -4.352 -3.857 330 1HB SER 43 2HB SER 43 -14.481 -2.050 -4.539 331 2HB SER 43 1HB SER 43 -12.815 -2.221 -3.985 332 HG SER 43 HG SER 43 -13.751 -1.483 -6.416 333 H ASP 44 H ASP 44 -16.204 -4.096 -4.792 334 HA ASP 44 HA ASP 44 -16.862 -5.822 -6.804 335 1HB ASP 44 2HB ASP 44 -18.278 -4.163 -5.165 336 2HB ASP 44 1HB ASP 44 -18.575 -3.426 -6.737 337 H LYS 45 H LYS 45 -16.220 -2.349 -7.139 338 HA LYS 45 HA LYS 45 -16.771 -2.128 -9.874 339 1HB LYS 45 2HB LYS 45 -16.534 -0.146 -8.542 340 2HB LYS 45 1HB LYS 45 -14.890 -0.575 -8.093 341 1HG LYS 45 2HG LYS 45 -14.023 0.067 -10.115 342 2HG LYS 45 1HG LYS 45 -15.543 -0.194 -10.972 343 1HD LYS 45 2HD LYS 45 -15.883 2.004 -10.847 344 2HD LYS 45 1HD LYS 45 -16.108 1.799 -9.109 345 1HE LYS 45 2HE LYS 45 -14.461 3.515 -9.506 346 2HE LYS 45 1HE LYS 45 -13.678 2.106 -8.794 347 1HZ LYS 45 1HZ LYS 45 -13.719 2.112 -11.678 348 2HZ LYS 45 2HZ LYS 45 -12.447 1.780 -10.615 349 3HZ LYS 45 3HZ LYS 45 -12.828 3.382 -11.002 350 H ALA 46 H ALA 46 -13.511 -2.139 -8.430 351 HA ALA 46 HA ALA 46 -12.596 -4.021 -10.451 352 1HB ALA 46 1HB ALA 46 -11.010 -2.663 -11.465 353 2HB ALA 46 2HB ALA 46 -11.059 -1.468 -10.169 354 3HB ALA 46 3HB ALA 46 -12.402 -1.592 -11.305 355 H SER 47 H SER 47 -10.524 -4.942 -9.973 356 HA SER 47 HA SER 47 -9.899 -4.820 -7.111 357 1HB SER 47 2HB SER 47 -8.473 -6.921 -7.861 358 2HB SER 47 1HB SER 47 -10.210 -7.057 -7.591 359 HG SER 47 HG SER 47 -8.860 -7.552 -9.815 360 H VAL 48 H VAL 48 -8.063 -3.954 -6.382 361 HA VAL 48 HA VAL 48 -6.005 -3.235 -8.365 362 HB VAL 48 HB VAL 48 -6.246 -1.887 -5.696 363 1HG1 VAL 48 1HG1 VAL 48 -4.233 -1.496 -6.996 364 2HG1 VAL 48 2HG1 VAL 48 -5.205 -0.028 -6.908 365 3HG1 VAL 48 3HG1 VAL 48 -5.204 -0.998 -8.382 366 1HG2 VAL 48 1HG2 VAL 48 -7.939 -1.427 -8.123 367 2HG2 VAL 48 2HG2 VAL 48 -7.535 -0.092 -7.044 368 3HG2 VAL 48 3HG2 VAL 48 -8.414 -1.490 -6.425 369 H THR 49 H THR 49 -3.939 -3.833 -8.057 370 HA THR 49 HA THR 49 -3.237 -5.172 -5.528 371 HB THR 49 HB THR 49 -1.797 -6.727 -6.854 372 HG1 THR 49 1HG THR 49 -1.537 -6.165 -8.878 373 1HG2 THR 49 1HG2 THR 49 -3.511 -8.119 -6.556 374 2HG2 THR 49 2HG2 THR 49 -4.207 -7.557 -8.075 375 3HG2 THR 49 3HG2 THR 49 -4.642 -6.766 -6.560 376 H ILE 50 H ILE 50 -1.397 -4.460 -4.610 377 HA ILE 50 HA ILE 50 0.241 -2.584 -6.169 378 HB ILE 50 HB ILE 50 0.144 -2.926 -3.172 379 1HG1 ILE 50 2HG1 ILE 50 -1.991 -2.100 -4.030 380 2HG1 ILE 50 1HG1 ILE 50 -1.134 -0.818 -3.181 381 1HG2 ILE 50 1HG2 ILE 50 1.596 -1.058 -5.006 382 2HG2 ILE 50 2HG2 ILE 50 2.215 -1.985 -3.640 383 3HG2 ILE 50 3HG2 ILE 50 1.196 -0.574 -3.358 384 1HD1 ILE 50 1HD1 ILE 50 -0.315 -0.063 -5.455 385 2HD1 ILE 50 2HD1 ILE 50 -2.027 0.176 -5.104 386 3HD1 ILE 50 3HD1 ILE 50 -1.515 -1.162 -6.134 387 H THR 51 H THR 51 1.886 -3.607 -7.104 388 HA THR 51 HA THR 51 3.233 -5.816 -5.797 389 HB THR 51 HB THR 51 4.532 -6.042 -7.811 390 HG1 THR 51 1HG THR 51 4.174 -4.446 -9.529 391 1HG2 THR 51 1HG2 THR 51 2.123 -5.392 -9.271 392 2HG2 THR 51 2HG2 THR 51 1.749 -6.200 -7.749 393 3HG2 THR 51 3HG2 THR 51 2.828 -6.968 -8.913 394 H SER 52 H SER 52 5.799 -5.646 -6.187 395 HA SER 52 HA SER 52 6.581 -3.320 -4.610 396 1HB SER 52 2HB SER 52 8.234 -5.761 -5.290 397 2HB SER 52 1HB SER 52 8.598 -4.537 -4.073 398 HG SER 52 HG SER 52 7.674 -6.193 -2.976 399 H ARG 53 H ARG 53 8.079 -5.158 -7.284 400 HA ARG 53 HA ARG 53 9.078 -4.464 -9.209 401 1HB ARG 53 2HB ARG 53 8.429 -2.525 -10.203 402 2HB ARG 53 1HB ARG 53 7.223 -2.562 -8.936 403 1HG ARG 53 2HG ARG 53 7.855 -0.483 -8.491 404 2HG ARG 53 1HG ARG 53 9.284 -1.193 -7.746 405 1HD ARG 53 2HD ARG 53 8.990 0.270 -10.291 406 2HD ARG 53 1HD ARG 53 10.331 0.225 -9.159 407 HE ARG 53 HE ARG 53 11.153 -1.703 -10.220 408 1HH1 ARG 53 1HH1 ARG 53 8.240 -0.544 -11.792 409 2HH1 ARG 53 2HH1 ARG 53 8.573 -1.378 -13.268 410 1HH2 ARG 53 1HH2 ARG 53 11.561 -2.797 -12.164 411 2HH2 ARG 53 2HH2 ARG 53 10.444 -2.653 -13.480 412 H TYR 54 H TYR 54 10.018 -3.790 -6.141 413 HA TYR 54 HA TYR 54 12.749 -3.730 -6.699 414 1HB TYR 54 2HB TYR 54 11.440 -1.134 -6.676 415 2HB TYR 54 1HB TYR 54 12.661 -1.248 -5.412 416 HD1 TYR 54 1HD TYR 54 12.083 -0.575 -8.835 417 HD2 TYR 54 2HD TYR 54 14.988 -2.159 -6.162 418 HE1 TYR 54 1HE TYR 54 13.837 -0.165 -10.508 419 HE2 TYR 54 2HE TYR 54 16.751 -1.753 -7.827 420 HH TYR 54 HH TYR 54 16.516 -1.502 -10.727 421 H ASP 55 H ASP 55 13.977 -3.143 -4.553 422 HA ASP 55 HA ASP 55 12.402 -4.385 -2.426 423 1HB ASP 55 2HB ASP 55 14.894 -4.294 -1.361 424 2HB ASP 55 1HB ASP 55 14.279 -5.635 -2.318 425 H GLY 56 H GLY 56 11.652 -3.276 -0.773 426 1HA GLY 56 2HA GLY 56 12.990 -0.749 -0.067 427 2HA GLY 56 1HA GLY 56 11.259 -0.761 -0.364 428 H VAL 57 H VAL 57 12.279 0.165 2.002 429 HA VAL 57 HA VAL 57 11.881 -2.010 3.940 430 HB VAL 57 HB VAL 57 12.943 0.790 4.350 431 1HG1 VAL 57 1HG1 VAL 57 11.829 0.112 6.362 432 2HG1 VAL 57 2HG1 VAL 57 13.568 -0.046 6.616 433 3HG1 VAL 57 3HG1 VAL 57 12.589 -1.479 6.304 434 1HG2 VAL 57 1HG2 VAL 57 14.423 -1.819 4.587 435 2HG2 VAL 57 2HG2 VAL 57 15.089 -0.186 4.568 436 3HG2 VAL 57 3HG2 VAL 57 14.381 -0.866 3.103 437 H ILE 58 H ILE 58 9.936 -2.276 4.795 438 HA ILE 58 HA ILE 58 8.054 -0.021 4.881 439 HB ILE 58 HB ILE 58 7.468 -2.934 5.431 440 1HG1 ILE 58 2HG1 ILE 58 6.984 -1.411 2.871 441 2HG1 ILE 58 1HG1 ILE 58 8.359 -2.484 3.119 442 1HG2 ILE 58 1HG2 ILE 58 5.637 -1.887 6.277 443 2HG2 ILE 58 2HG2 ILE 58 5.153 -1.932 4.580 444 3HG2 ILE 58 3HG2 ILE 58 5.848 -0.460 5.262 445 1HD1 ILE 58 1HD1 ILE 58 6.086 -3.263 1.980 446 2HD1 ILE 58 2HD1 ILE 58 5.690 -3.604 3.664 447 3HD1 ILE 58 3HD1 ILE 58 7.107 -4.348 2.925 448 H LYS 59 H LYS 59 7.847 1.052 6.725 449 HA LYS 59 HA LYS 59 8.766 -0.237 9.196 450 1HB LYS 59 2HB LYS 59 10.001 1.715 8.717 451 2HB LYS 59 1HB LYS 59 8.551 2.644 8.378 452 1HG LYS 59 2HG LYS 59 8.082 2.982 10.592 453 2HG LYS 59 1HG LYS 59 8.894 1.500 11.102 454 1HD LYS 59 2HD LYS 59 10.725 3.387 9.868 455 2HD LYS 59 1HD LYS 59 9.902 4.077 11.269 456 1HE LYS 59 2HE LYS 59 11.987 2.998 11.924 457 2HE LYS 59 1HE LYS 59 10.598 2.168 12.623 458 1HZ LYS 59 1HZ LYS 59 12.393 1.282 10.468 459 2HZ LYS 59 2HZ LYS 59 10.812 0.684 10.537 460 3HZ LYS 59 3HZ LYS 59 11.867 0.438 11.836 461 H LYS 60 H LYS 60 5.838 1.106 7.800 462 HA LYS 60 HA LYS 60 4.490 0.441 10.320 463 1HB LYS 60 2HB LYS 60 3.541 2.915 8.988 464 2HB LYS 60 1HB LYS 60 3.541 2.481 10.691 465 1HG LYS 60 2HG LYS 60 5.089 4.170 10.638 466 2HG LYS 60 1HG LYS 60 6.120 2.746 10.478 467 1HD LYS 60 2HD LYS 60 6.315 3.061 8.116 468 2HD LYS 60 1HD LYS 60 5.078 4.319 8.131 469 1HE LYS 60 2HE LYS 60 7.842 4.450 9.326 470 2HE LYS 60 1HE LYS 60 7.208 5.405 7.990 471 1HZ LYS 60 1HZ LYS 60 6.595 5.627 10.863 472 2HZ LYS 60 2HZ LYS 60 5.515 6.222 9.706 473 3HZ LYS 60 3HZ LYS 60 7.090 6.833 9.785 474 H LEU 61 H LEU 61 2.646 -0.600 10.092 475 HA LEU 61 HA LEU 61 1.115 -0.353 7.608 476 1HB LEU 61 2HB LEU 61 2.149 -2.904 8.821 477 2HB LEU 61 1HB LEU 61 0.714 -2.891 7.812 478 HG LEU 61 HG LEU 61 3.206 -1.651 6.736 479 1HD1 LEU 61 1HD1 LEU 61 4.300 -3.590 6.300 480 2HD1 LEU 61 2HD1 LEU 61 2.823 -4.553 6.281 481 3HD1 LEU 61 3HD1 LEU 61 3.531 -4.055 7.817 482 1HD2 LEU 61 1HD2 LEU 61 2.070 -3.110 4.767 483 2HD2 LEU 61 2HD2 LEU 61 1.663 -1.430 5.119 484 3HD2 LEU 61 3HD2 LEU 61 0.657 -2.733 5.753 485 H TYR 62 H TYR 62 -0.704 0.534 8.370 486 HA TYR 62 HA TYR 62 -1.746 -0.279 10.965 487 1HB TYR 62 2HB TYR 62 -1.540 2.130 10.315 488 2HB TYR 62 1HB TYR 62 -2.791 1.858 9.106 489 HD1 TYR 62 1HD TYR 62 -2.080 2.058 12.709 490 HD2 TYR 62 2HD TYR 62 -5.104 1.635 9.745 491 HE1 TYR 62 1HE TYR 62 -3.801 2.505 14.408 492 HE2 TYR 62 2HE TYR 62 -6.832 2.083 11.436 493 HH TYR 62 HH TYR 62 -6.120 2.186 14.810 494 H TYR 63 H TYR 63 -2.742 -0.316 7.562 495 HA TYR 63 HA TYR 63 -5.278 -1.547 8.273 496 1HB TYR 63 2HB TYR 63 -4.117 -0.751 5.599 497 2HB TYR 63 1HB TYR 63 -5.714 -1.462 5.816 498 HD1 TYR 63 1HD TYR 63 -4.364 1.467 4.998 499 HD2 TYR 63 2HD TYR 63 -6.826 -0.109 8.090 500 HE1 TYR 63 1HE TYR 63 -5.304 3.707 5.384 501 HE2 TYR 63 2HE TYR 63 -7.772 2.127 8.485 502 HH TYR 63 HH TYR 63 -7.997 4.222 7.562 503 H ASN 64 H ASN 64 -5.801 -3.636 8.060 504 HA ASN 64 HA ASN 64 -3.753 -5.457 6.996 505 1HB ASN 64 2HB ASN 64 -5.866 -6.061 9.070 506 2HB ASN 64 1HB ASN 64 -4.614 -7.167 8.503 507 1HD2 ASN 64 1HD2 ASN 64 -2.425 -6.690 9.013 508 2HD2 ASN 64 2HD2 ASN 64 -2.034 -5.743 10.405 509 H LEU 65 H LEU 65 -5.096 -7.736 6.809 510 HA LEU 65 HA LEU 65 -6.394 -7.615 4.371 511 1HB LEU 65 2HB LEU 65 -6.197 -9.680 6.530 512 2HB LEU 65 1HB LEU 65 -7.108 -9.983 5.073 513 HG LEU 65 HG LEU 65 -4.530 -9.004 4.340 514 1HD1 LEU 65 1HD1 LEU 65 -3.200 -10.924 5.234 515 2HD1 LEU 65 2HD1 LEU 65 -4.537 -11.256 6.336 516 3HD1 LEU 65 3HD1 LEU 65 -3.669 -9.724 6.439 517 1HD2 LEU 65 1HD2 LEU 65 -4.835 -10.525 2.746 518 2HD2 LEU 65 2HD2 LEU 65 -6.391 -10.878 3.496 519 3HD2 LEU 65 3HD2 LEU 65 -4.971 -11.832 3.923 520 H ASP 66 H ASP 66 -7.657 -7.033 7.512 521 HA ASP 66 HA ASP 66 -10.402 -7.468 6.551 522 1HB ASP 66 2HB ASP 66 -9.168 -7.470 9.281 523 2HB ASP 66 1HB ASP 66 -10.891 -7.157 9.096 524 H ASP 67 H ASP 67 -8.194 -5.021 7.640 525 HA ASP 67 HA ASP 67 -10.185 -3.060 8.233 526 1HB ASP 67 2HB ASP 67 -7.291 -2.530 7.593 527 2HB ASP 67 1HB ASP 67 -8.381 -1.536 8.550 528 H ILE 68 H ILE 68 -10.625 -1.141 7.143 529 HA ILE 68 HA ILE 68 -10.324 -1.279 4.210 530 HB ILE 68 HB ILE 68 -12.328 0.541 5.421 531 1HG1 ILE 68 2HG1 ILE 68 -12.551 -1.666 6.655 532 2HG1 ILE 68 1HG1 ILE 68 -13.989 -1.117 5.800 533 1HG2 ILE 68 1HG2 ILE 68 -13.464 0.242 3.408 534 2HG2 ILE 68 2HG2 ILE 68 -12.681 -1.302 3.084 535 3HG2 ILE 68 3HG2 ILE 68 -11.762 0.197 2.942 536 1HD1 ILE 68 1HD1 ILE 68 -12.232 -2.849 4.236 537 2HD1 ILE 68 2HD1 ILE 68 -13.986 -2.877 4.425 538 3HD1 ILE 68 3HD1 ILE 68 -12.954 -3.612 5.653 539 H ALA 69 H ALA 69 -9.662 0.496 3.099 540 HA ALA 69 HA ALA 69 -8.680 2.736 4.736 541 1HB ALA 69 1HB ALA 69 -6.915 1.289 3.723 542 2HB ALA 69 2HB ALA 69 -6.832 2.985 3.246 543 3HB ALA 69 3HB ALA 69 -7.497 1.788 2.135 544 H TYR 70 H TYR 70 -8.634 4.816 3.718 545 HA TYR 70 HA TYR 70 -10.548 5.143 1.508 546 1HB TYR 70 2HB TYR 70 -11.635 6.944 2.579 547 2HB TYR 70 1HB TYR 70 -11.455 5.733 3.842 548 HD1 TYR 70 1HD TYR 70 -10.535 9.061 2.723 549 HD2 TYR 70 2HD TYR 70 -9.763 6.051 5.630 550 HE1 TYR 70 1HE TYR 70 -9.409 10.726 4.139 551 HE2 TYR 70 2HE TYR 70 -8.636 7.709 7.054 552 HH TYR 70 HH TYR 70 -8.036 10.988 5.940 553 H VAL 71 H VAL 71 -10.041 6.731 0.002 554 HA VAL 71 HA VAL 71 -7.317 7.401 -0.283 555 HB VAL 71 HB VAL 71 -9.689 8.658 -1.676 556 1HG1 VAL 71 1HG1 VAL 71 -7.584 9.952 -1.833 557 2HG1 VAL 71 2HG1 VAL 71 -8.131 9.328 -3.389 558 3HG1 VAL 71 3HG1 VAL 71 -6.803 8.538 -2.540 559 1HG2 VAL 71 1HG2 VAL 71 -8.910 7.044 -3.525 560 2HG2 VAL 71 2HG2 VAL 71 -9.846 6.395 -2.180 561 3HG2 VAL 71 3HG2 VAL 71 -8.099 6.180 -2.221 562 H GLY 72 H GLY 72 -6.171 9.249 0.171 563 1HA GLY 72 2HA GLY 72 -6.318 11.710 0.496 564 2HA GLY 72 1HA GLY 72 -7.661 11.380 1.574 565 H LYS 73 H LYS 73 -5.477 8.966 2.145 566 HA LYS 73 HA LYS 73 -3.677 10.468 3.826 567 1HB LYS 73 2HB LYS 73 -5.980 10.056 5.028 568 2HB LYS 73 1HB LYS 73 -5.320 8.446 5.284 569 1HG LYS 73 2HG LYS 73 -3.241 10.015 6.068 570 2HG LYS 73 1HG LYS 73 -4.630 10.991 6.550 571 1HD LYS 73 2HD LYS 73 -4.555 9.719 8.411 572 2HD LYS 73 1HD LYS 73 -5.416 8.549 7.409 573 1HE LYS 73 2HE LYS 73 -2.510 8.457 7.103 574 2HE LYS 73 1HE LYS 73 -3.063 8.089 8.736 575 1HZ LYS 73 1HZ LYS 73 -2.868 6.171 7.106 576 2HZ LYS 73 2HZ LYS 73 -4.260 6.787 6.368 577 3HZ LYS 73 3HZ LYS 73 -4.311 6.287 7.983 578 HA PRO 74 HA PRO 74 -1.237 6.905 2.648 579 1HB PRO 74 2HB PRO 74 0.649 7.803 4.716 580 2HB PRO 74 1HB PRO 74 0.892 7.641 2.975 581 1HG PRO 74 2HG PRO 74 0.728 10.043 4.173 582 2HG PRO 74 1HG PRO 74 0.114 9.762 2.534 583 1HD PRO 74 2HD PRO 74 -1.387 9.961 5.115 584 2HD PRO 74 1HD PRO 74 -1.809 10.588 3.508 585 H LEU 75 H LEU 75 -0.991 4.856 3.426 586 HA LEU 75 HA LEU 75 -1.814 4.445 6.213 587 1HB LEU 75 2HB LEU 75 -2.541 2.241 5.582 588 2HB LEU 75 1HB LEU 75 -3.259 3.427 4.510 589 HG LEU 75 HG LEU 75 -1.092 2.749 3.052 590 1HD1 LEU 75 1HD1 LEU 75 -0.680 0.398 3.183 591 2HD1 LEU 75 2HD1 LEU 75 -1.913 0.198 4.428 592 3HD1 LEU 75 3HD1 LEU 75 -0.432 1.084 4.789 593 1HD2 LEU 75 1HD2 LEU 75 -2.579 1.642 1.638 594 2HD2 LEU 75 2HD2 LEU 75 -3.623 2.730 2.554 595 3HD2 LEU 75 3HD2 LEU 75 -3.541 1.020 2.979 596 H VAL 76 H VAL 76 0.699 3.689 3.859 597 HA VAL 76 HA VAL 76 2.366 2.773 6.096 598 HB VAL 76 HB VAL 76 1.588 0.707 5.118 599 1HG1 VAL 76 1HG1 VAL 76 2.844 1.002 2.503 600 2HG1 VAL 76 2HG1 VAL 76 1.486 2.101 2.752 601 3HG1 VAL 76 3HG1 VAL 76 1.258 0.361 2.934 602 1HG2 VAL 76 1HG2 VAL 76 3.607 -0.288 5.202 603 2HG2 VAL 76 2HG2 VAL 76 4.214 1.337 5.540 604 3HG2 VAL 76 3HG2 VAL 76 4.257 0.699 3.892 605 H ASP 77 H ASP 77 4.524 3.194 5.939 606 HA ASP 77 HA ASP 77 5.363 4.835 3.652 607 1HB ASP 77 2HB ASP 77 6.852 4.760 6.245 608 2HB ASP 77 1HB ASP 77 6.784 6.046 5.048 609 H ILE 78 H ILE 78 6.861 4.029 2.340 610 HA ILE 78 HA ILE 78 8.601 1.883 3.341 611 HB ILE 78 HB ILE 78 7.640 1.742 0.526 612 1HG1 ILE 78 2HG1 ILE 78 5.857 0.083 1.618 613 2HG1 ILE 78 1HG1 ILE 78 5.992 1.227 2.955 614 1HG2 ILE 78 1HG2 ILE 78 8.701 -0.143 2.584 615 2HG2 ILE 78 2HG2 ILE 78 9.262 0.157 0.939 616 3HG2 ILE 78 3HG2 ILE 78 7.778 -0.757 1.212 617 1HD1 ILE 78 1HD1 ILE 78 4.417 1.457 0.663 618 2HD1 ILE 78 2HD1 ILE 78 5.712 2.645 0.487 619 3HD1 ILE 78 3HD1 ILE 78 4.685 2.662 1.923 620 H GLU 79 H GLU 79 10.674 1.764 2.378 621 HA GLU 79 HA GLU 79 11.399 4.222 0.952 622 1HB GLU 79 2HB GLU 79 12.631 2.806 3.034 623 2HB GLU 79 1HB GLU 79 13.633 2.503 1.621 624 1HG GLU 79 2HG GLU 79 14.086 4.784 1.317 625 2HG GLU 79 1HG GLU 79 12.783 5.270 2.401 626 H THR 80 H THR 80 11.380 4.095 -1.149 627 HA THR 80 HA THR 80 12.622 1.823 -2.501 628 HB THR 80 HB THR 80 10.694 1.999 -4.229 629 HG1 THR 80 1HG THR 80 9.230 2.791 -1.931 630 1HG2 THR 80 1HG2 THR 80 9.688 0.754 -1.729 631 2HG2 THR 80 2HG2 THR 80 11.245 0.196 -2.341 632 3HG2 THR 80 3HG2 THR 80 9.808 0.085 -3.357 633 H GLU 81 H GLU 81 13.218 2.309 -4.733 634 HA GLU 81 HA GLU 81 14.401 4.818 -5.034 635 1HB GLU 81 2HB GLU 81 14.480 2.433 -6.409 636 2HB GLU 81 1HB GLU 81 13.712 3.512 -7.566 637 1HG GLU 81 2HG GLU 81 15.705 5.098 -6.875 638 2HG GLU 81 1HG GLU 81 16.461 3.562 -6.453 639 H ALA 82 H ALA 82 13.914 6.551 -6.493 640 HA ALA 82 HA ALA 82 11.572 7.823 -6.231 641 1HB ALA 82 1HB ALA 82 12.582 9.327 -7.504 642 2HB ALA 82 2HB ALA 82 12.411 8.297 -8.926 643 3HB ALA 82 3HB ALA 82 13.821 8.130 -7.880 644 H LEU 83 H LEU 83 9.556 7.128 -6.494 645 HA LEU 83 HA LEU 83 8.870 5.778 -9.020 646 1HB LEU 83 2HB LEU 83 8.451 4.924 -6.287 647 2HB LEU 83 1HB LEU 83 6.928 5.051 -7.145 648 HG LEU 83 HG LEU 83 8.321 3.686 -8.983 649 1HD1 LEU 83 1HD1 LEU 83 10.365 3.621 -7.663 650 2HD1 LEU 83 2HD1 LEU 83 9.705 2.000 -7.879 651 3HD1 LEU 83 3HD1 LEU 83 9.499 2.838 -6.341 652 1HD2 LEU 83 1HD2 LEU 83 6.727 2.769 -6.625 653 2HD2 LEU 83 2HD2 LEU 83 7.413 1.594 -7.747 654 3HD2 LEU 83 3HD2 LEU 83 6.281 2.813 -8.331 655 H LYS 84 H LYS 84 7.012 6.386 -10.046 656 HA LYS 84 HA LYS 84 6.103 9.004 -9.748 657 1HB LYS 84 2HB LYS 84 4.347 8.395 -11.346 658 2HB LYS 84 1HB LYS 84 5.910 7.761 -11.841 659 1HG LYS 84 2HG LYS 84 4.567 5.955 -12.232 660 2HG LYS 84 1HG LYS 84 5.104 5.614 -10.586 661 1HD LYS 84 2HD LYS 84 2.982 5.555 -9.929 662 2HD LYS 84 1HD LYS 84 2.809 7.250 -10.390 663 1HE LYS 84 2HE LYS 84 2.405 6.409 -12.752 664 2HE LYS 84 1HE LYS 84 2.250 4.802 -12.045 665 1HZ LYS 84 1HZ LYS 84 0.179 6.351 -12.391 666 2HZ LYS 84 2HZ LYS 84 0.657 6.969 -10.891 667 3HZ LYS 84 3HZ LYS 84 0.289 5.326 -11.050 668 H ASP 85 H ASP 85 5.152 6.124 -8.117 669 HA ASP 85 HA ASP 85 2.578 6.312 -7.414 670 1HB ASP 85 2HB ASP 85 5.006 5.492 -5.959 671 2HB ASP 85 1HB ASP 85 3.608 5.836 -4.942 672 H LEU 86 H LEU 86 5.122 8.257 -5.850 673 HA LEU 86 HA LEU 86 2.994 10.060 -4.902 674 1HB LEU 86 2HB LEU 86 5.131 8.747 -3.467 675 2HB LEU 86 1HB LEU 86 5.237 10.488 -3.290 676 HG LEU 86 HG LEU 86 2.945 8.697 -2.513 677 1HD1 LEU 86 1HD1 LEU 86 4.885 10.443 -1.035 678 2HD1 LEU 86 2HD1 LEU 86 4.539 8.729 -0.802 679 3HD1 LEU 86 3HD1 LEU 86 3.351 9.943 -0.323 680 1HD2 LEU 86 1HD2 LEU 86 2.976 11.556 -3.196 681 2HD2 LEU 86 2HD2 LEU 86 2.197 11.149 -1.667 682 3HD2 LEU 86 3HD2 LEU 86 1.638 10.407 -3.167 683 H GLU 87 H GLU 87 6.113 9.784 -6.430 684 HA GLU 87 HA GLU 87 5.893 12.491 -7.401 685 1HB GLU 87 2HB GLU 87 8.474 11.828 -6.026 686 2HB GLU 87 1HB GLU 87 7.818 13.403 -6.453 687 1HG GLU 87 2HG GLU 87 6.160 13.218 -4.692 688 2HG GLU 87 1HG GLU 87 6.745 11.604 -4.289 Start of MODEL 18 1 1H MET 1 1HT MET 1 19.816 9.180 3.236 2 2H MET 1 2HT MET 1 20.040 8.665 1.640 3 3H MET 1 3HT MET 1 18.903 7.892 2.625 4 HA MET 1 HA MET 1 18.765 10.545 1.360 5 1HB MET 1 2HB MET 1 17.249 7.984 1.372 6 2HB MET 1 1HB MET 1 16.320 9.463 1.165 7 1HG MET 1 2HG MET 1 18.652 8.632 -0.547 8 2HG MET 1 1HG MET 1 16.953 8.416 -0.964 9 1HE MET 1 1HE MET 1 16.825 10.191 -3.314 10 2HE MET 1 2HE MET 1 15.856 11.445 -2.541 11 3HE MET 1 3HE MET 1 15.646 9.757 -2.075 12 H GLY 2 H GLY 2 16.689 8.642 3.548 13 1HA GLY 2 2HA GLY 2 16.112 9.348 5.765 14 2HA GLY 2 1HA GLY 2 16.476 11.001 5.294 15 H GLN 3 H GLN 3 14.703 9.269 2.955 16 HA GLN 3 HA GLN 3 12.172 10.379 3.961 17 1HB GLN 3 2HB GLN 3 13.063 10.386 1.074 18 2HB GLN 3 1HB GLN 3 11.555 11.034 1.704 19 1HG GLN 3 2HG GLN 3 14.141 12.081 2.748 20 2HG GLN 3 1HG GLN 3 13.564 12.609 1.168 21 1HE2 GLN 3 1HE2 GLN 3 13.816 14.571 2.828 22 2HE2 GLN 3 2HE2 GLN 3 12.312 15.082 3.508 23 H VAL 4 H VAL 4 10.261 9.294 3.268 24 HA VAL 4 HA VAL 4 10.678 6.630 2.109 25 HB VAL 4 HB VAL 4 9.016 5.694 3.720 26 1HG1 VAL 4 1HG1 VAL 4 11.755 6.512 4.327 27 2HG1 VAL 4 2HG1 VAL 4 10.981 4.932 4.461 28 3HG1 VAL 4 3HG1 VAL 4 10.783 6.124 5.747 29 1HG2 VAL 4 1HG2 VAL 4 9.362 8.395 4.994 30 2HG2 VAL 4 2HG2 VAL 4 8.788 6.985 5.888 31 3HG2 VAL 4 3HG2 VAL 4 7.866 7.592 4.513 32 H VAL 5 H VAL 5 8.966 5.789 0.954 33 HA VAL 5 HA VAL 5 6.958 7.743 0.102 34 HB VAL 5 HB VAL 5 6.580 6.311 -1.811 35 1HG1 VAL 5 1HG1 VAL 5 8.835 7.742 -1.391 36 2HG1 VAL 5 2HG1 VAL 5 8.426 6.966 -2.921 37 3HG1 VAL 5 3HG1 VAL 5 9.516 6.165 -1.789 38 1HG2 VAL 5 1HG2 VAL 5 7.839 4.219 -2.143 39 2HG2 VAL 5 2HG2 VAL 5 6.792 4.132 -0.725 40 3HG2 VAL 5 3HG2 VAL 5 8.527 4.388 -0.529 41 H GLN 6 H GLN 6 4.876 7.537 0.670 42 HA GLN 6 HA GLN 6 4.127 5.193 2.241 43 1HB GLN 6 2HB GLN 6 3.285 8.031 2.133 44 2HB GLN 6 1HB GLN 6 2.062 6.855 2.580 45 1HG GLN 6 2HG GLN 6 3.130 6.270 4.521 46 2HG GLN 6 1HG GLN 6 4.708 6.794 3.940 47 1HE2 GLN 6 1HE2 GLN 6 4.294 9.329 3.145 48 2HE2 GLN 6 2HE2 GLN 6 3.789 10.313 4.472 49 H PHE 7 H PHE 7 2.353 3.947 1.832 50 HA PHE 7 HA PHE 7 1.200 4.222 -0.848 51 1HB PHE 7 2HB PHE 7 1.956 2.034 -0.755 52 2HB PHE 7 1HB PHE 7 1.667 1.894 0.970 53 HD1 PHE 7 1HD PHE 7 0.295 1.397 -2.348 54 HD2 PHE 7 2HD PHE 7 -0.612 1.461 1.805 55 HE1 PHE 7 1HE PHE 7 -1.808 0.191 -2.788 56 HE2 PHE 7 2HE PHE 7 -2.710 0.254 1.375 57 HZ PHE 7 HZ PHE 7 -3.310 -0.383 -0.926 58 H LYS 8 H LYS 8 -0.889 4.644 -1.135 59 HA LYS 8 HA LYS 8 -2.628 4.806 1.232 60 1HB LYS 8 2HB LYS 8 -2.015 7.043 0.715 61 2HB LYS 8 1HB LYS 8 -2.236 6.785 -1.007 62 1HG LYS 8 2HG LYS 8 -4.704 6.407 -0.447 63 2HG LYS 8 1HG LYS 8 -4.319 7.120 1.119 64 1HD LYS 8 2HD LYS 8 -4.052 8.387 -1.602 65 2HD LYS 8 1HD LYS 8 -5.129 8.868 -0.291 66 1HE LYS 8 2HE LYS 8 -3.189 9.480 1.074 67 2HE LYS 8 1HE LYS 8 -2.116 9.003 -0.243 68 1HZ LYS 8 1HZ LYS 8 -3.899 10.757 -1.369 69 2HZ LYS 8 2HZ LYS 8 -2.289 11.079 -0.963 70 3HZ LYS 8 3HZ LYS 8 -3.526 11.445 0.131 71 H LEU 9 H LEU 9 -4.763 4.274 0.960 72 HA LEU 9 HA LEU 9 -5.456 2.303 -0.855 73 1HB LEU 9 2HB LEU 9 -6.612 2.779 1.269 74 2HB LEU 9 1HB LEU 9 -7.276 4.240 0.578 75 HG LEU 9 HG LEU 9 -8.885 2.352 0.708 76 1HD1 LEU 9 1HD1 LEU 9 -8.535 4.204 -1.290 77 2HD1 LEU 9 2HD1 LEU 9 -9.971 3.217 -1.027 78 3HD1 LEU 9 3HD1 LEU 9 -8.738 2.690 -2.172 79 1HD2 LEU 9 1HD2 LEU 9 -8.310 0.323 0.082 80 2HD2 LEU 9 2HD2 LEU 9 -6.756 0.916 -0.512 81 3HD2 LEU 9 3HD2 LEU 9 -8.158 0.893 -1.583 82 H SER 10 H SER 10 -5.711 2.405 -2.993 83 HA SER 10 HA SER 10 -6.991 4.792 -4.139 84 1HB SER 10 2HB SER 10 -5.457 4.841 -5.978 85 2HB SER 10 1HB SER 10 -4.493 4.785 -4.502 86 HG SER 10 HG SER 10 -4.552 2.392 -4.913 87 H ASP 11 H ASP 11 -8.896 4.109 -4.855 88 HA ASP 11 HA ASP 11 -9.163 2.346 -7.006 89 1HB ASP 11 2HB ASP 11 -8.621 0.663 -5.218 90 2HB ASP 11 1HB ASP 11 -10.116 1.128 -4.409 91 H ILE 12 H ILE 12 -10.691 3.697 -4.134 92 HA ILE 12 HA ILE 12 -13.112 4.185 -5.738 93 HB ILE 12 HB ILE 12 -14.158 4.477 -3.351 94 1HG1 ILE 12 2HG1 ILE 12 -11.875 4.127 -2.269 95 2HG1 ILE 12 1HG1 ILE 12 -13.204 3.176 -1.616 96 1HG2 ILE 12 1HG2 ILE 12 -14.767 2.073 -3.371 97 2HG2 ILE 12 2HG2 ILE 12 -13.544 1.813 -4.615 98 3HG2 ILE 12 3HG2 ILE 12 -14.928 2.855 -4.944 99 1HD1 ILE 12 1HD1 ILE 12 -12.102 1.300 -2.010 100 2HD1 ILE 12 2HD1 ILE 12 -10.723 2.260 -2.539 101 3HD1 ILE 12 3HD1 ILE 12 -11.918 1.715 -3.713 102 H GLY 13 H GLY 13 -14.428 6.070 -4.591 103 1HA GLY 13 2HA GLY 13 -12.714 8.390 -4.822 104 2HA GLY 13 1HA GLY 13 -14.463 8.392 -4.662 105 H GLU 14 H GLU 14 -13.139 10.259 -3.293 106 HA GLU 14 HA GLU 14 -12.630 9.312 -0.591 107 1HB GLU 14 2HB GLU 14 -12.094 11.713 -0.146 108 2HB GLU 14 1HB GLU 14 -11.115 10.982 -1.411 109 1HG GLU 14 2HG GLU 14 -11.713 12.576 -2.815 110 2HG GLU 14 1HG GLU 14 -13.407 12.127 -2.627 111 H GLY 15 H GLY 15 -14.808 8.577 -0.177 112 1HA GLY 15 2HA GLY 15 -16.338 9.995 1.491 113 2HA GLY 15 1HA GLY 15 -16.908 10.587 -0.062 114 H ILE 16 H ILE 16 -16.290 7.803 -1.163 115 HA ILE 16 HA ILE 16 -18.906 6.694 -0.529 116 HB ILE 16 HB ILE 16 -18.634 5.294 -2.457 117 1HG1 ILE 16 2HG1 ILE 16 -16.095 6.206 -3.470 118 2HG1 ILE 16 1HG1 ILE 16 -15.875 5.500 -1.871 119 1HG2 ILE 16 1HG2 ILE 16 -18.372 6.949 -4.205 120 2HG2 ILE 16 2HG2 ILE 16 -17.545 8.033 -3.086 121 3HG2 ILE 16 3HG2 ILE 16 -19.248 7.642 -2.840 122 1HD1 ILE 16 1HD1 ILE 16 -15.955 3.486 -2.762 123 2HD1 ILE 16 2HD1 ILE 16 -16.203 4.194 -4.358 124 3HD1 ILE 16 3HD1 ILE 16 -17.590 3.797 -3.344 125 H ARG 17 H ARG 17 -18.552 4.022 -1.009 126 HA ARG 17 HA ARG 17 -17.725 3.034 1.475 127 1HB ARG 17 2HB ARG 17 -18.118 1.603 -1.159 128 2HB ARG 17 1HB ARG 17 -17.860 0.786 0.376 129 1HG ARG 17 2HG ARG 17 -19.961 1.179 1.094 130 2HG ARG 17 1HG ARG 17 -20.048 2.761 0.317 131 1HD ARG 17 2HD ARG 17 -20.025 1.279 -1.876 132 2HD ARG 17 1HD ARG 17 -20.667 0.063 -0.773 133 HE ARG 17 HE ARG 17 -22.039 2.353 -1.798 134 1HH1 ARG 17 1HH1 ARG 17 -21.818 0.177 0.910 135 2HH1 ARG 17 2HH1 ARG 17 -23.459 0.421 1.408 136 1HH2 ARG 17 1HH2 ARG 17 -24.203 2.686 -1.151 137 2HH2 ARG 17 2HH2 ARG 17 -24.816 1.847 0.235 138 H GLU 18 H GLU 18 -15.941 1.699 2.039 139 HA GLU 18 HA GLU 18 -13.507 2.405 0.571 140 1HB GLU 18 2HB GLU 18 -14.043 1.511 3.390 141 2HB GLU 18 1HB GLU 18 -12.422 1.479 2.716 142 1HG GLU 18 2HG GLU 18 -12.200 3.592 3.317 143 2HG GLU 18 1HG GLU 18 -13.417 4.012 2.110 144 H VAL 19 H VAL 19 -11.717 0.611 0.774 145 HA VAL 19 HA VAL 19 -12.989 -1.970 0.092 146 HB VAL 19 HB VAL 19 -12.104 -0.816 -1.914 147 1HG1 VAL 19 1HG1 VAL 19 -9.824 -0.384 -2.237 148 2HG1 VAL 19 2HG1 VAL 19 -9.355 -1.338 -0.830 149 3HG1 VAL 19 3HG1 VAL 19 -10.167 0.214 -0.613 150 1HG2 VAL 19 1HG2 VAL 19 -11.177 -2.736 -2.881 151 2HG2 VAL 19 2HG2 VAL 19 -12.195 -3.347 -1.577 152 3HG2 VAL 19 3HG2 VAL 19 -10.447 -3.257 -1.362 153 H THR 20 H THR 20 -11.845 -3.881 0.544 154 HA THR 20 HA THR 20 -10.025 -3.618 2.825 155 HB THR 20 HB THR 20 -10.904 -6.309 1.983 156 HG1 THR 20 1HG THR 20 -12.863 -5.381 1.647 157 1HG2 THR 20 1HG2 THR 20 -9.624 -5.820 4.061 158 2HG2 THR 20 2HG2 THR 20 -11.155 -6.646 4.353 159 3HG2 THR 20 3HG2 THR 20 -11.015 -4.915 4.658 160 H VAL 21 H VAL 21 -8.147 -4.954 2.988 161 HA VAL 21 HA VAL 21 -6.708 -5.112 0.489 162 HB VAL 21 HB VAL 21 -5.804 -6.021 3.226 163 1HG1 VAL 21 1HG1 VAL 21 -3.570 -5.282 1.916 164 2HG1 VAL 21 2HG1 VAL 21 -4.540 -5.875 0.567 165 3HG1 VAL 21 3HG1 VAL 21 -4.192 -6.933 1.935 166 1HG2 VAL 21 1HG2 VAL 21 -4.535 -3.623 2.509 167 2HG2 VAL 21 2HG2 VAL 21 -5.714 -3.874 3.797 168 3HG2 VAL 21 3HG2 VAL 21 -6.252 -3.380 2.191 169 H LYS 22 H LYS 22 -6.336 -6.878 -0.716 170 HA LYS 22 HA LYS 22 -7.605 -9.370 0.119 171 1HB LYS 22 2HB LYS 22 -7.676 -8.087 -2.252 172 2HB LYS 22 1HB LYS 22 -6.322 -9.170 -2.543 173 1HG LYS 22 2HG LYS 22 -8.975 -10.139 -1.524 174 2HG LYS 22 1HG LYS 22 -8.602 -9.996 -3.243 175 1HD LYS 22 2HD LYS 22 -6.533 -11.419 -2.711 176 2HD LYS 22 1HD LYS 22 -7.345 -11.790 -1.188 177 1HE LYS 22 2HE LYS 22 -8.706 -13.250 -2.178 178 2HE LYS 22 1HE LYS 22 -9.131 -12.096 -3.441 179 1HZ LYS 22 1HZ LYS 22 -7.970 -14.244 -4.124 180 2HZ LYS 22 2HZ LYS 22 -6.560 -13.548 -3.501 181 3HZ LYS 22 3HZ LYS 22 -7.381 -12.798 -4.775 182 H GLU 23 H GLU 23 -4.442 -8.054 -0.603 183 HA GLU 23 HA GLU 23 -3.256 -10.549 0.377 184 1HB GLU 23 2HB GLU 23 -3.279 -10.154 -2.248 185 2HB GLU 23 1HB GLU 23 -1.879 -9.160 -1.871 186 1HG GLU 23 2HG GLU 23 -0.676 -10.988 -1.021 187 2HG GLU 23 1HG GLU 23 -2.119 -11.998 -0.934 188 H TRP 24 H TRP 24 -1.430 -10.333 1.567 189 HA TRP 24 HA TRP 24 -0.201 -7.685 1.829 190 1HB TRP 24 2HB TRP 24 -1.649 -9.204 3.936 191 2HB TRP 24 1HB TRP 24 -0.150 -8.416 4.414 192 HD1 TRP 24 HD TRP 24 -3.710 -7.762 4.243 193 HE1 TRP 24 1HE TRP 24 -4.219 -5.246 4.359 194 HE3 TRP 24 3HE TRP 24 0.972 -5.952 3.309 195 HZ2 TRP 24 2HZ TRP 24 -2.822 -2.813 4.090 196 HZ3 TRP 24 3HZ TRP 24 1.298 -3.516 3.255 197 HH2 TRP 24 HH TRP 24 -0.558 -1.979 3.635 198 H TYR 25 H TYR 25 1.909 -7.962 1.454 199 HA TYR 25 HA TYR 25 3.155 -10.470 2.386 200 1HB TYR 25 2HB TYR 25 3.176 -9.189 -0.237 201 2HB TYR 25 1HB TYR 25 4.794 -9.542 0.360 202 HD1 TYR 25 1HD TYR 25 2.073 -10.831 -1.425 203 HD2 TYR 25 2HD TYR 25 5.072 -11.984 1.365 204 HE1 TYR 25 1HE TYR 25 1.812 -13.174 -2.122 205 HE2 TYR 25 2HE TYR 25 4.821 -14.330 0.675 206 HH TYR 25 HH TYR 25 3.581 -15.785 -0.518 207 H VAL 26 H VAL 26 2.956 -8.008 3.892 208 HA VAL 26 HA VAL 26 5.768 -7.687 4.478 209 HB VAL 26 HB VAL 26 5.923 -5.329 4.203 210 1HG1 VAL 26 1HG1 VAL 26 6.258 -6.652 2.175 211 2HG1 VAL 26 2HG1 VAL 26 5.617 -5.050 1.813 212 3HG1 VAL 26 3HG1 VAL 26 4.554 -6.453 1.769 213 1HG2 VAL 26 1HG2 VAL 26 3.939 -4.073 3.170 214 2HG2 VAL 26 2HG2 VAL 26 3.848 -4.472 4.886 215 3HG2 VAL 26 3HG2 VAL 26 2.960 -5.439 3.708 216 H LYS 27 H LYS 27 6.064 -6.123 6.372 217 HA LYS 27 HA LYS 27 3.749 -5.915 8.122 218 1HB LYS 27 2HB LYS 27 6.044 -7.761 8.575 219 2HB LYS 27 1HB LYS 27 5.358 -6.931 9.966 220 1HG LYS 27 2HG LYS 27 3.740 -8.570 8.033 221 2HG LYS 27 1HG LYS 27 4.429 -9.204 9.528 222 1HD LYS 27 2HD LYS 27 3.038 -7.899 10.865 223 2HD LYS 27 1HD LYS 27 2.694 -6.761 9.561 224 1HE LYS 27 2HE LYS 27 0.833 -8.369 10.202 225 2HE LYS 27 1HE LYS 27 1.240 -8.263 8.489 226 1HZ LYS 27 1HZ LYS 27 2.253 -10.321 8.516 227 2HZ LYS 27 2HZ LYS 27 0.946 -10.566 9.561 228 3HZ LYS 27 3HZ LYS 27 2.496 -10.315 10.191 229 H GLU 28 H GLU 28 4.205 -4.616 10.066 230 HA GLU 28 HA GLU 28 5.581 -2.263 9.493 231 1HB GLU 28 2HB GLU 28 5.165 -3.222 12.315 232 2HB GLU 28 1HB GLU 28 5.102 -1.578 11.695 233 1HG GLU 28 2HG GLU 28 2.892 -1.856 11.803 234 2HG GLU 28 1HG GLU 28 3.096 -2.741 10.292 235 H GLY 29 H GLY 29 7.668 -1.626 9.688 236 1HA GLY 29 2HA GLY 29 9.898 -1.677 10.313 237 2HA GLY 29 1HA GLY 29 9.496 -2.923 11.486 238 H ASP 30 H ASP 30 8.269 -3.866 8.551 239 HA ASP 30 HA ASP 30 10.476 -5.729 8.148 240 1HB ASP 30 2HB ASP 30 7.817 -6.187 8.268 241 2HB ASP 30 1HB ASP 30 8.009 -5.973 6.530 242 H THR 31 H THR 31 11.263 -6.200 6.024 243 HA THR 31 HA THR 31 11.313 -3.809 4.334 244 HB THR 31 HB THR 31 13.108 -6.202 4.000 245 HG1 THR 31 1HG THR 31 14.584 -5.033 5.371 246 1HG2 THR 31 1HG2 THR 31 12.979 -4.453 2.223 247 2HG2 THR 31 2HG2 THR 31 14.583 -4.625 2.939 248 3HG2 THR 31 3HG2 THR 31 13.547 -3.276 3.406 249 H VAL 32 H VAL 32 11.101 -3.958 2.078 250 HA VAL 32 HA VAL 32 9.409 -6.181 1.193 251 HB VAL 32 HB VAL 32 9.257 -4.178 -0.753 252 1HG1 VAL 32 1HG1 VAL 32 7.567 -5.685 0.888 253 2HG1 VAL 32 2HG1 VAL 32 7.123 -4.715 -0.517 254 3HG1 VAL 32 3HG1 VAL 32 7.081 -4.005 1.097 255 1HG2 VAL 32 1HG2 VAL 32 8.496 -2.198 0.533 256 2HG2 VAL 32 2HG2 VAL 32 10.224 -2.511 0.686 257 3HG2 VAL 32 3HG2 VAL 32 9.129 -2.950 1.995 258 H SER 33 H SER 33 9.673 -7.015 -0.936 259 HA SER 33 HA SER 33 12.310 -6.509 -2.140 260 1HB SER 33 2HB SER 33 11.379 -8.946 -0.941 261 2HB SER 33 1HB SER 33 11.607 -9.201 -2.671 262 HG SER 33 HG SER 33 13.533 -8.064 -0.923 263 H GLN 34 H GLN 34 12.440 -7.223 -4.427 264 HA GLN 34 HA GLN 34 10.481 -6.074 -6.001 265 1HB GLN 34 2HB GLN 34 12.950 -7.183 -6.451 266 2HB GLN 34 1HB GLN 34 11.890 -8.295 -7.305 267 1HG GLN 34 2HG GLN 34 11.384 -5.435 -7.777 268 2HG GLN 34 1HG GLN 34 12.917 -6.059 -8.385 269 1HE2 GLN 34 1HE2 GLN 34 9.442 -6.709 -8.376 270 2HE2 GLN 34 2HE2 GLN 34 9.386 -7.393 -9.962 271 H PHE 35 H PHE 35 10.686 -9.334 -4.761 272 HA PHE 35 HA PHE 35 8.409 -10.184 -6.381 273 1HB PHE 35 2HB PHE 35 10.529 -11.556 -4.830 274 2HB PHE 35 1HB PHE 35 8.960 -12.352 -4.882 275 HD1 PHE 35 1HD PHE 35 8.395 -13.682 -6.688 276 HD2 PHE 35 2HD PHE 35 11.557 -10.862 -7.093 277 HE1 PHE 35 1HE PHE 35 8.937 -14.613 -8.899 278 HE2 PHE 35 2HE PHE 35 12.103 -11.786 -9.307 279 HZ PHE 35 HZ PHE 35 10.791 -13.665 -10.212 280 H ASP 36 H ASP 36 9.111 -9.049 -3.214 281 HA ASP 36 HA ASP 36 6.626 -10.147 -2.132 282 1HB ASP 36 2HB ASP 36 9.113 -9.016 -0.959 283 2HB ASP 36 1HB ASP 36 7.621 -8.798 -0.049 284 H SER 37 H SER 37 4.991 -8.946 -3.000 285 HA SER 37 HA SER 37 5.044 -6.127 -3.296 286 1HB SER 37 2HB SER 37 2.463 -6.498 -3.419 287 2HB SER 37 1HB SER 37 3.487 -7.176 -4.684 288 HG SER 37 HG SER 37 2.861 -9.087 -4.101 289 H ILE 38 H ILE 38 3.619 -4.592 -2.153 290 HA ILE 38 HA ILE 38 3.839 -5.002 0.711 291 HB ILE 38 HB ILE 38 2.787 -2.574 -0.735 292 1HG1 ILE 38 2HG1 ILE 38 5.558 -3.501 -0.062 293 2HG1 ILE 38 1HG1 ILE 38 4.969 -2.769 -1.545 294 1HG2 ILE 38 1HG2 ILE 38 2.529 -1.620 1.276 295 2HG2 ILE 38 2HG2 ILE 38 4.091 -2.211 1.845 296 3HG2 ILE 38 3HG2 ILE 38 2.670 -3.247 1.942 297 1HD1 ILE 38 1HD1 ILE 38 4.647 -0.807 0.400 298 2HD1 ILE 38 2HD1 ILE 38 5.884 -0.880 -0.855 299 3HD1 ILE 38 3HD1 ILE 38 6.210 -1.552 0.745 300 H CYS 39 H CYS 39 1.179 -3.575 -1.183 301 HA CYS 39 HA CYS 39 -0.682 -5.337 0.238 302 1HB CYS 39 2HB CYS 39 -2.036 -2.883 -0.013 303 2HB CYS 39 1HB CYS 39 -1.520 -3.674 1.465 304 HG CYS 39 HG CYS 39 0.285 -1.338 -0.275 305 H GLU 40 H GLU 40 -2.573 -5.824 -0.820 306 HA GLU 40 HA GLU 40 -2.994 -4.717 -3.493 307 1HB GLU 40 2HB GLU 40 -2.808 -7.676 -2.889 308 2HB GLU 40 1HB GLU 40 -3.321 -6.988 -4.424 309 1HG GLU 40 2HG GLU 40 -1.226 -6.778 -5.103 310 2HG GLU 40 1HG GLU 40 -0.782 -5.897 -3.642 311 H VAL 41 H VAL 41 -5.076 -4.200 -3.756 312 HA VAL 41 HA VAL 41 -7.056 -5.543 -2.034 313 HB VAL 41 HB VAL 41 -8.368 -3.517 -1.995 314 1HG1 VAL 41 1HG1 VAL 41 -7.067 -3.290 -0.172 315 2HG1 VAL 41 2HG1 VAL 41 -6.366 -1.954 -1.086 316 3HG1 VAL 41 3HG1 VAL 41 -5.572 -3.529 -1.077 317 1HG2 VAL 41 1HG2 VAL 41 -7.771 -2.718 -4.258 318 2HG2 VAL 41 2HG2 VAL 41 -6.193 -2.226 -3.640 319 3HG2 VAL 41 3HG2 VAL 41 -7.658 -1.455 -3.032 320 H GLN 42 H GLN 42 -9.179 -5.831 -2.881 321 HA GLN 42 HA GLN 42 -9.459 -5.578 -5.785 322 1HB GLN 42 2HB GLN 42 -9.875 -8.136 -4.231 323 2HB GLN 42 1HB GLN 42 -10.372 -7.896 -5.900 324 1HG GLN 42 2HG GLN 42 -7.677 -7.165 -5.806 325 2HG GLN 42 1HG GLN 42 -7.811 -8.635 -4.842 326 1HE2 GLN 42 1HE2 GLN 42 -6.347 -9.040 -6.892 327 2HE2 GLN 42 2HE2 GLN 42 -7.169 -9.824 -8.194 328 H SER 43 H SER 43 -11.327 -4.641 -6.247 329 HA SER 43 HA SER 43 -13.595 -5.033 -4.409 330 1HB SER 43 2HB SER 43 -12.690 -2.766 -4.165 331 2HB SER 43 1HB SER 43 -12.863 -2.501 -5.900 332 HG SER 43 HG SER 43 -14.850 -1.970 -5.533 333 H ASP 44 H ASP 44 -15.700 -4.950 -5.362 334 HA ASP 44 HA ASP 44 -16.067 -6.445 -7.634 335 1HB ASP 44 2HB ASP 44 -17.764 -5.671 -5.824 336 2HB ASP 44 1HB ASP 44 -18.042 -4.304 -6.898 337 H LYS 45 H LYS 45 -15.449 -3.036 -7.370 338 HA LYS 45 HA LYS 45 -16.229 -2.385 -10.051 339 1HB LYS 45 2HB LYS 45 -16.309 -0.653 -8.385 340 2HB LYS 45 1HB LYS 45 -14.618 -0.895 -7.974 341 1HG LYS 45 2HG LYS 45 -14.174 -0.243 -10.438 342 2HG LYS 45 1HG LYS 45 -15.807 0.421 -10.377 343 1HD LYS 45 2HD LYS 45 -15.098 2.214 -9.264 344 2HD LYS 45 1HD LYS 45 -14.313 1.206 -8.046 345 1HE LYS 45 2HE LYS 45 -12.576 2.481 -8.964 346 2HE LYS 45 1HE LYS 45 -12.438 0.910 -9.752 347 1HZ LYS 45 1HZ LYS 45 -14.061 2.966 -11.058 348 2HZ LYS 45 2HZ LYS 45 -13.117 1.741 -11.742 349 3HZ LYS 45 3HZ LYS 45 -12.378 3.129 -11.120 350 H ALA 46 H ALA 46 -13.022 -2.139 -8.513 351 HA ALA 46 HA ALA 46 -11.810 -3.486 -10.797 352 1HB ALA 46 1HB ALA 46 -11.064 -0.681 -9.979 353 2HB ALA 46 2HB ALA 46 -11.817 -1.170 -11.497 354 3HB ALA 46 3HB ALA 46 -10.168 -1.676 -11.127 355 H SER 47 H SER 47 -9.761 -4.350 -10.372 356 HA SER 47 HA SER 47 -9.074 -4.432 -7.516 357 1HB SER 47 2HB SER 47 -8.409 -6.383 -9.734 358 2HB SER 47 1HB SER 47 -7.908 -6.554 -8.052 359 HG SER 47 HG SER 47 -10.009 -7.571 -8.954 360 H VAL 48 H VAL 48 -7.094 -3.849 -6.796 361 HA VAL 48 HA VAL 48 -5.089 -3.062 -8.806 362 HB VAL 48 HB VAL 48 -5.529 -1.579 -6.220 363 1HG1 VAL 48 1HG1 VAL 48 -3.537 -1.516 -8.290 364 2HG1 VAL 48 2HG1 VAL 48 -3.585 -0.649 -6.755 365 3HG1 VAL 48 3HG1 VAL 48 -4.358 0.041 -8.182 366 1HG2 VAL 48 1HG2 VAL 48 -6.822 0.038 -7.328 367 2HG2 VAL 48 2HG2 VAL 48 -7.495 -1.507 -7.847 368 3HG2 VAL 48 3HG2 VAL 48 -6.422 -0.608 -8.919 369 H THR 49 H THR 49 -2.993 -3.549 -8.378 370 HA THR 49 HA THR 49 -2.376 -4.829 -5.797 371 HB THR 49 HB THR 49 -0.860 -6.389 -7.030 372 HG1 THR 49 1HG THR 49 -0.673 -5.226 -8.984 373 1HG2 THR 49 1HG2 THR 49 -3.706 -6.470 -6.828 374 2HG2 THR 49 2HG2 THR 49 -2.557 -7.806 -6.774 375 3HG2 THR 49 3HG2 THR 49 -3.220 -7.275 -8.319 376 H ILE 50 H ILE 50 -0.605 -4.026 -4.819 377 HA ILE 50 HA ILE 50 1.111 -2.234 -6.398 378 HB ILE 50 HB ILE 50 0.671 -2.321 -3.411 379 1HG1 ILE 50 2HG1 ILE 50 -1.247 -1.344 -4.388 380 2HG1 ILE 50 1HG1 ILE 50 -0.244 0.014 -3.890 381 1HG2 ILE 50 1HG2 ILE 50 2.900 -1.616 -3.706 382 2HG2 ILE 50 2HG2 ILE 50 1.965 -0.138 -3.491 383 3HG2 ILE 50 3HG2 ILE 50 2.485 -0.624 -5.104 384 1HD1 ILE 50 1HD1 ILE 50 0.633 -0.087 -6.334 385 2HD1 ILE 50 2HD1 ILE 50 -0.922 0.665 -5.980 386 3HD1 ILE 50 3HD1 ILE 50 -0.863 -0.974 -6.629 387 H THR 51 H THR 51 2.824 -3.298 -7.121 388 HA THR 51 HA THR 51 4.096 -5.374 -5.548 389 HB THR 51 HB THR 51 5.767 -4.814 -7.708 390 HG1 THR 51 1HG THR 51 3.991 -4.948 -9.406 391 1HG2 THR 51 1HG2 THR 51 4.997 -6.916 -8.578 392 2HG2 THR 51 2HG2 THR 51 3.491 -6.794 -7.668 393 3HG2 THR 51 3HG2 THR 51 5.018 -7.025 -6.817 394 H SER 52 H SER 52 6.692 -5.153 -5.746 395 HA SER 52 HA SER 52 7.267 -2.683 -4.298 396 1HB SER 52 2HB SER 52 9.010 -5.134 -4.612 397 2HB SER 52 1HB SER 52 9.264 -3.793 -3.495 398 HG SER 52 HG SER 52 7.263 -4.382 -2.505 399 H ARG 53 H ARG 53 8.753 -4.656 -6.878 400 HA ARG 53 HA ARG 53 9.997 -4.088 -8.695 401 1HB ARG 53 2HB ARG 53 8.471 -2.543 -9.496 402 2HB ARG 53 1HB ARG 53 8.602 -1.510 -8.089 403 1HG ARG 53 2HG ARG 53 9.500 -0.424 -10.053 404 2HG ARG 53 1HG ARG 53 10.775 -0.714 -8.868 405 1HD ARG 53 2HD ARG 53 11.847 -1.464 -10.733 406 2HD ARG 53 1HD ARG 53 11.031 -2.956 -10.269 407 HE ARG 53 HE ARG 53 9.466 -1.340 -12.039 408 1HH1 ARG 53 1HH1 ARG 53 12.018 -3.700 -11.862 409 2HH1 ARG 53 2HH1 ARG 53 11.768 -4.284 -13.473 410 1HH2 ARG 53 1HH2 ARG 53 9.125 -2.101 -14.163 411 2HH2 ARG 53 2HH2 ARG 53 10.124 -3.374 -14.782 412 H TYR 54 H TYR 54 10.783 -3.443 -5.647 413 HA TYR 54 HA TYR 54 13.525 -3.207 -6.050 414 1HB TYR 54 2HB TYR 54 12.022 -0.658 -5.678 415 2HB TYR 54 1HB TYR 54 13.518 -0.847 -4.768 416 HD1 TYR 54 1HD TYR 54 15.511 -1.850 -6.309 417 HD2 TYR 54 2HD TYR 54 12.198 0.429 -7.695 418 HE1 TYR 54 1HE TYR 54 16.804 -1.191 -8.294 419 HE2 TYR 54 2HE TYR 54 13.480 1.095 -9.685 420 HH TYR 54 HH TYR 54 15.851 -0.314 -10.901 421 H ASP 55 H ASP 55 14.591 -2.670 -3.794 422 HA ASP 55 HA ASP 55 12.932 -4.057 -1.824 423 1HB ASP 55 2HB ASP 55 14.931 -4.594 -0.640 424 2HB ASP 55 1HB ASP 55 15.244 -4.911 -2.343 425 H GLY 56 H GLY 56 11.887 -2.909 -0.368 426 1HA GLY 56 2HA GLY 56 13.064 -0.338 0.471 427 2HA GLY 56 1HA GLY 56 11.351 -0.505 0.128 428 H VAL 57 H VAL 57 12.202 0.512 2.520 429 HA VAL 57 HA VAL 57 11.858 -1.712 4.421 430 HB VAL 57 HB VAL 57 12.685 1.064 5.210 431 1HG1 VAL 57 1HG1 VAL 57 12.353 -0.027 7.166 432 2HG1 VAL 57 2HG1 VAL 57 13.990 -0.602 6.848 433 3HG1 VAL 57 3HG1 VAL 57 12.605 -1.618 6.448 434 1HG2 VAL 57 1HG2 VAL 57 14.403 -1.116 4.055 435 2HG2 VAL 57 2HG2 VAL 57 15.055 0.140 5.109 436 3HG2 VAL 57 3HG2 VAL 57 14.305 0.578 3.574 437 H ILE 58 H ILE 58 9.932 -1.983 5.307 438 HA ILE 58 HA ILE 58 8.036 0.262 5.379 439 HB ILE 58 HB ILE 58 7.411 -2.644 5.915 440 1HG1 ILE 58 2HG1 ILE 58 7.132 -1.115 3.330 441 2HG1 ILE 58 1HG1 ILE 58 8.376 -2.317 3.648 442 1HG2 ILE 58 1HG2 ILE 58 5.773 -0.185 5.391 443 2HG2 ILE 58 2HG2 ILE 58 5.675 -1.307 6.749 444 3HG2 ILE 58 3HG2 ILE 58 5.121 -1.807 5.149 445 1HD1 ILE 58 1HD1 ILE 58 6.995 -4.002 3.195 446 2HD1 ILE 58 2HD1 ILE 58 5.955 -2.778 2.467 447 3HD1 ILE 58 3HD1 ILE 58 5.682 -3.291 4.132 448 H LYS 59 H LYS 59 7.618 1.253 7.241 449 HA LYS 59 HA LYS 59 8.695 0.073 9.693 450 1HB LYS 59 2HB LYS 59 9.298 2.412 8.901 451 2HB LYS 59 1HB LYS 59 7.671 2.882 9.374 452 1HG LYS 59 2HG LYS 59 8.095 2.357 11.655 453 2HG LYS 59 1HG LYS 59 9.635 1.595 11.252 454 1HD LYS 59 2HD LYS 59 10.721 3.564 11.145 455 2HD LYS 59 1HD LYS 59 9.370 4.376 10.351 456 1HE LYS 59 2HE LYS 59 8.284 4.793 12.398 457 2HE LYS 59 1HE LYS 59 9.302 3.644 13.265 458 1HZ LYS 59 1HZ LYS 59 9.955 6.360 12.333 459 2HZ LYS 59 2HZ LYS 59 11.191 5.229 12.564 460 3HZ LYS 59 3HZ LYS 59 10.195 5.666 13.858 461 H LYS 60 H LYS 60 5.594 1.231 8.399 462 HA LYS 60 HA LYS 60 4.303 -0.153 10.602 463 1HB LYS 60 2HB LYS 60 3.167 1.637 11.544 464 2HB LYS 60 1HB LYS 60 4.772 2.292 11.261 465 1HG LYS 60 2HG LYS 60 2.344 2.743 9.536 466 2HG LYS 60 1HG LYS 60 3.035 3.891 10.682 467 1HD LYS 60 2HD LYS 60 4.468 2.781 8.272 468 2HD LYS 60 1HD LYS 60 3.669 4.350 8.338 469 1HE LYS 60 2HE LYS 60 5.856 3.543 10.241 470 2HE LYS 60 1HE LYS 60 6.170 4.356 8.709 471 1HZ LYS 60 1HZ LYS 60 4.164 5.628 10.351 472 2HZ LYS 60 2HZ LYS 60 5.467 6.306 9.513 473 3HZ LYS 60 3HZ LYS 60 5.712 5.612 11.036 474 H LEU 61 H LEU 61 2.270 -0.829 10.255 475 HA LEU 61 HA LEU 61 0.983 -0.135 7.707 476 1HB LEU 61 2HB LEU 61 1.323 -2.886 8.909 477 2HB LEU 61 1HB LEU 61 0.175 -2.526 7.631 478 HG LEU 61 HG LEU 61 2.956 -1.719 7.074 479 1HD1 LEU 61 1HD1 LEU 61 2.370 -4.611 6.747 480 2HD1 LEU 61 2HD1 LEU 61 2.911 -4.031 8.322 481 3HD1 LEU 61 3HD1 LEU 61 3.917 -3.779 6.896 482 1HD2 LEU 61 1HD2 LEU 61 2.092 -3.212 5.001 483 2HD2 LEU 61 2HD2 LEU 61 1.767 -1.488 5.181 484 3HD2 LEU 61 3HD2 LEU 61 0.557 -2.670 5.676 485 H TYR 62 H TYR 62 -1.291 -0.014 7.805 486 HA TYR 62 HA TYR 62 -2.358 -0.104 10.549 487 1HB TYR 62 2HB TYR 62 -2.131 2.107 9.101 488 2HB TYR 62 1HB TYR 62 -3.675 1.554 8.456 489 HD1 TYR 62 1HD TYR 62 -1.929 2.359 11.644 490 HD2 TYR 62 2HD TYR 62 -5.657 1.977 9.628 491 HE1 TYR 62 1HE TYR 62 -3.075 3.340 13.587 492 HE2 TYR 62 2HE TYR 62 -6.812 2.956 11.565 493 HH TYR 62 HH TYR 62 -5.610 3.148 14.520 494 H TYR 63 H TYR 63 -3.185 -0.747 7.151 495 HA TYR 63 HA TYR 63 -5.571 -2.177 8.093 496 1HB TYR 63 2HB TYR 63 -4.869 -1.194 5.323 497 2HB TYR 63 1HB TYR 63 -6.346 -2.055 5.748 498 HD1 TYR 63 1HD TYR 63 -5.516 0.965 4.757 499 HD2 TYR 63 2HD TYR 63 -7.119 -0.815 8.273 500 HE1 TYR 63 1HE TYR 63 -6.583 3.101 5.345 501 HE2 TYR 63 2HE TYR 63 -8.190 1.315 8.871 502 HH TYR 63 HH TYR 63 -8.698 3.762 6.809 503 H ASN 64 H ASN 64 -5.964 -4.281 7.616 504 HA ASN 64 HA ASN 64 -3.755 -5.805 6.409 505 1HB ASN 64 2HB ASN 64 -5.654 -6.572 8.631 506 2HB ASN 64 1HB ASN 64 -4.558 -7.708 7.844 507 1HD2 ASN 64 1HD2 ASN 64 -3.682 -8.023 9.975 508 2HD2 ASN 64 2HD2 ASN 64 -2.514 -6.913 10.598 509 H LEU 65 H LEU 65 -4.781 -8.183 6.028 510 HA LEU 65 HA LEU 65 -6.182 -8.103 3.678 511 1HB LEU 65 2HB LEU 65 -5.885 -10.227 5.777 512 2HB LEU 65 1HB LEU 65 -6.760 -10.523 4.295 513 HG LEU 65 HG LEU 65 -4.296 -9.436 3.509 514 1HD1 LEU 65 1HD1 LEU 65 -3.169 -9.826 5.493 515 2HD1 LEU 65 2HD1 LEU 65 -2.836 -11.287 4.564 516 3HD1 LEU 65 3HD1 LEU 65 -4.064 -11.308 5.829 517 1HD2 LEU 65 1HD2 LEU 65 -3.930 -11.744 2.635 518 2HD2 LEU 65 2HD2 LEU 65 -5.495 -11.048 2.215 519 3HD2 LEU 65 3HD2 LEU 65 -5.381 -12.246 3.504 520 H ASP 66 H ASP 66 -7.451 -7.802 6.889 521 HA ASP 66 HA ASP 66 -10.170 -8.308 5.898 522 1HB ASP 66 2HB ASP 66 -9.206 -9.510 7.958 523 2HB ASP 66 1HB ASP 66 -9.434 -7.976 8.793 524 H ASP 67 H ASP 67 -8.129 -5.780 7.157 525 HA ASP 67 HA ASP 67 -10.313 -4.047 7.833 526 1HB ASP 67 2HB ASP 67 -7.481 -3.140 7.391 527 2HB ASP 67 1HB ASP 67 -8.704 -2.440 8.444 528 H ILE 68 H ILE 68 -10.805 -2.050 6.882 529 HA ILE 68 HA ILE 68 -10.474 -2.009 3.953 530 HB ILE 68 HB ILE 68 -12.471 -0.265 5.308 531 1HG1 ILE 68 2HG1 ILE 68 -12.731 -2.521 6.370 532 2HG1 ILE 68 1HG1 ILE 68 -14.140 -1.992 5.456 533 1HG2 ILE 68 1HG2 ILE 68 -12.828 -1.895 2.822 534 2HG2 ILE 68 2HG2 ILE 68 -11.909 -0.388 2.809 535 3HG2 ILE 68 3HG2 ILE 68 -13.608 -0.384 3.285 536 1HD1 ILE 68 1HD1 ILE 68 -12.209 -3.574 3.932 537 2HD1 ILE 68 2HD1 ILE 68 -13.969 -3.672 3.990 538 3HD1 ILE 68 3HD1 ILE 68 -12.999 -4.431 5.255 539 H ALA 69 H ALA 69 -9.780 -0.188 2.923 540 HA ALA 69 HA ALA 69 -8.717 1.921 4.673 541 1HB ALA 69 1HB ALA 69 -6.951 2.261 3.124 542 2HB ALA 69 2HB ALA 69 -7.718 1.224 1.923 543 3HB ALA 69 3HB ALA 69 -7.065 0.524 3.403 544 H TYR 70 H TYR 70 -8.882 4.076 4.021 545 HA TYR 70 HA TYR 70 -11.062 4.596 2.115 546 1HB TYR 70 2HB TYR 70 -11.744 5.354 4.245 547 2HB TYR 70 1HB TYR 70 -10.156 6.014 4.614 548 HD1 TYR 70 1HD TYR 70 -13.050 6.500 2.308 549 HD2 TYR 70 2HD TYR 70 -9.767 8.285 4.342 550 HE1 TYR 70 1HE TYR 70 -13.807 8.720 1.570 551 HE2 TYR 70 2HE TYR 70 -10.515 10.510 3.610 552 HH TYR 70 HH TYR 70 -12.617 11.598 2.882 553 H VAL 71 H VAL 71 -10.880 6.297 0.634 554 HA VAL 71 HA VAL 71 -8.181 6.797 -0.258 555 HB VAL 71 HB VAL 71 -10.706 7.946 -1.437 556 1HG1 VAL 71 1HG1 VAL 71 -8.318 7.173 -3.023 557 2HG1 VAL 71 2HG1 VAL 71 -8.223 8.633 -2.039 558 3HG1 VAL 71 3HG1 VAL 71 -9.470 8.482 -3.278 559 1HG2 VAL 71 1HG2 VAL 71 -10.197 5.249 -1.144 560 2HG2 VAL 71 2HG2 VAL 71 -9.635 5.603 -2.777 561 3HG2 VAL 71 3HG2 VAL 71 -11.294 5.982 -2.313 562 H GLY 72 H GLY 72 -7.038 8.637 -0.095 563 1HA GLY 72 2HA GLY 72 -7.149 11.119 -0.069 564 2HA GLY 72 1HA GLY 72 -8.377 10.945 1.174 565 H LYS 73 H LYS 73 -6.521 8.584 2.127 566 HA LYS 73 HA LYS 73 -4.382 10.168 3.317 567 1HB LYS 73 2HB LYS 73 -4.932 9.393 5.587 568 2HB LYS 73 1HB LYS 73 -6.203 10.397 4.905 569 1HG LYS 73 2HG LYS 73 -7.514 8.413 4.387 570 2HG LYS 73 1HG LYS 73 -6.230 7.388 5.030 571 1HD LYS 73 2HD LYS 73 -7.578 9.515 6.675 572 2HD LYS 73 1HD LYS 73 -8.191 7.863 6.576 573 1HE LYS 73 2HE LYS 73 -6.096 7.005 7.441 574 2HE LYS 73 1HE LYS 73 -5.411 8.629 7.457 575 1HZ LYS 73 1HZ LYS 73 -6.081 8.536 9.593 576 2HZ LYS 73 2HZ LYS 73 -7.286 7.386 9.301 577 3HZ LYS 73 3HZ LYS 73 -7.568 9.015 8.943 578 HA PRO 74 HA PRO 74 -2.299 6.293 2.487 579 1HB PRO 74 2HB PRO 74 -0.054 7.301 4.051 580 2HB PRO 74 1HB PRO 74 -0.147 6.995 2.316 581 1HG PRO 74 2HG PRO 74 0.014 9.490 3.382 582 2HG PRO 74 1HG PRO 74 -0.788 9.140 1.841 583 1HD PRO 74 2HD PRO 74 -1.982 9.631 4.537 584 2HD PRO 74 1HD PRO 74 -2.548 10.144 2.934 585 H LEU 75 H LEU 75 -1.415 4.472 3.703 586 HA LEU 75 HA LEU 75 -2.051 4.620 6.569 587 1HB LEU 75 2HB LEU 75 -2.769 2.221 6.423 588 2HB LEU 75 1HB LEU 75 -3.835 3.390 5.674 589 HG LEU 75 HG LEU 75 -3.587 1.305 4.373 590 1HD1 LEU 75 1HD1 LEU 75 -4.009 2.482 2.541 591 2HD1 LEU 75 2HD1 LEU 75 -2.364 3.119 2.484 592 3HD1 LEU 75 3HD1 LEU 75 -3.588 3.923 3.467 593 1HD2 LEU 75 1HD2 LEU 75 -1.599 0.574 3.461 594 2HD2 LEU 75 2HD2 LEU 75 -1.081 1.149 5.045 595 3HD2 LEU 75 3HD2 LEU 75 -0.824 2.151 3.616 596 H VAL 76 H VAL 76 0.281 3.711 4.197 597 HA VAL 76 HA VAL 76 1.934 2.673 6.395 598 HB VAL 76 HB VAL 76 1.016 0.711 5.230 599 1HG1 VAL 76 1HG1 VAL 76 2.594 0.865 2.842 600 2HG1 VAL 76 2HG1 VAL 76 1.495 2.241 2.932 601 3HG1 VAL 76 3HG1 VAL 76 0.860 0.597 3.020 602 1HG2 VAL 76 1HG2 VAL 76 3.824 1.322 5.593 603 2HG2 VAL 76 2HG2 VAL 76 3.574 0.094 4.354 604 3HG2 VAL 76 3HG2 VAL 76 2.930 -0.146 5.976 605 H ASP 77 H ASP 77 4.082 3.142 6.310 606 HA ASP 77 HA ASP 77 4.964 4.809 4.051 607 1HB ASP 77 2HB ASP 77 6.416 4.771 6.667 608 2HB ASP 77 1HB ASP 77 6.308 6.057 5.477 609 H ILE 78 H ILE 78 6.593 4.090 2.830 610 HA ILE 78 HA ILE 78 8.345 1.966 3.869 611 HB ILE 78 HB ILE 78 7.372 1.919 1.033 612 1HG1 ILE 78 2HG1 ILE 78 5.951 -0.089 2.172 613 2HG1 ILE 78 1HG1 ILE 78 5.920 1.101 3.471 614 1HG2 ILE 78 1HG2 ILE 78 8.820 0.058 2.858 615 2HG2 ILE 78 2HG2 ILE 78 9.212 0.550 1.210 616 3HG2 ILE 78 3HG2 ILE 78 7.893 -0.584 1.503 617 1HD1 ILE 78 1HD1 ILE 78 5.354 2.353 0.950 618 2HD1 ILE 78 2HD1 ILE 78 4.383 2.290 2.424 619 3HD1 ILE 78 3HD1 ILE 78 4.268 0.991 1.236 620 H GLU 79 H GLU 79 10.458 1.925 2.926 621 HA GLU 79 HA GLU 79 11.127 4.464 1.617 622 1HB GLU 79 2HB GLU 79 12.453 2.784 3.541 623 2HB GLU 79 1HB GLU 79 13.473 2.965 2.120 624 1HG GLU 79 2HG GLU 79 12.394 5.508 2.799 625 2HG GLU 79 1HG GLU 79 13.087 4.775 4.245 626 H THR 80 H THR 80 11.099 4.414 -0.495 627 HA THR 80 HA THR 80 12.366 2.200 -1.926 628 HB THR 80 HB THR 80 10.057 3.058 -3.413 629 HG1 THR 80 1HG THR 80 9.355 1.786 -0.982 630 1HG2 THR 80 1HG2 THR 80 11.039 0.985 -3.944 631 2HG2 THR 80 2HG2 THR 80 9.514 0.574 -3.158 632 3HG2 THR 80 3HG2 THR 80 11.027 0.454 -2.261 633 H GLU 81 H GLU 81 12.940 2.759 -4.147 634 HA GLU 81 HA GLU 81 14.105 5.284 -4.381 635 1HB GLU 81 2HB GLU 81 13.352 3.235 -6.466 636 2HB GLU 81 1HB GLU 81 14.218 4.713 -6.862 637 1HG GLU 81 2HG GLU 81 15.808 3.862 -4.928 638 2HG GLU 81 1HG GLU 81 15.139 2.304 -5.407 639 H ALA 82 H ALA 82 13.234 7.207 -4.704 640 HA ALA 82 HA ALA 82 10.615 7.862 -4.857 641 1HB ALA 82 1HB ALA 82 13.011 9.245 -5.039 642 2HB ALA 82 2HB ALA 82 11.396 9.940 -4.906 643 3HB ALA 82 3HB ALA 82 12.125 9.702 -6.494 644 H LEU 83 H LEU 83 9.038 7.388 -6.223 645 HA LEU 83 HA LEU 83 9.714 6.966 -9.045 646 1HB LEU 83 2HB LEU 83 8.144 5.458 -7.264 647 2HB LEU 83 1HB LEU 83 7.029 6.169 -8.414 648 HG LEU 83 HG LEU 83 8.064 5.084 -10.248 649 1HD1 LEU 83 1HD1 LEU 83 10.130 3.538 -9.531 650 2HD1 LEU 83 2HD1 LEU 83 10.365 4.875 -8.405 651 3HD1 LEU 83 3HD1 LEU 83 10.324 5.182 -10.142 652 1HD2 LEU 83 1HD2 LEU 83 7.866 3.274 -7.858 653 2HD2 LEU 83 2HD2 LEU 83 8.152 2.672 -9.489 654 3HD2 LEU 83 3HD2 LEU 83 6.668 3.550 -9.122 655 H LYS 84 H LYS 84 8.560 7.889 -10.656 656 HA LYS 84 HA LYS 84 8.173 10.357 -11.034 657 1HB LYS 84 2HB LYS 84 6.728 8.080 -12.017 658 2HB LYS 84 1HB LYS 84 5.696 9.503 -12.020 659 1HG LYS 84 2HG LYS 84 7.714 10.661 -13.157 660 2HG LYS 84 1HG LYS 84 8.241 9.012 -13.502 661 1HD LYS 84 2HD LYS 84 6.666 8.716 -15.073 662 2HD LYS 84 1HD LYS 84 5.421 9.506 -14.103 663 1HE LYS 84 2HE LYS 84 5.615 11.369 -15.295 664 2HE LYS 84 1HE LYS 84 7.344 11.445 -14.960 665 1HZ LYS 84 1HZ LYS 84 6.976 9.460 -16.864 666 2HZ LYS 84 2HZ LYS 84 7.698 10.974 -17.079 667 3HZ LYS 84 3HZ LYS 84 6.044 10.780 -17.371 668 H ASP 85 H ASP 85 5.450 8.724 -9.266 669 HA ASP 85 HA ASP 85 4.574 11.465 -8.613 670 1HB ASP 85 2HB ASP 85 3.113 8.987 -9.219 671 2HB ASP 85 1HB ASP 85 2.459 9.926 -7.878 672 H LEU 86 H LEU 86 4.506 8.239 -7.072 673 HA LEU 86 HA LEU 86 5.283 9.530 -4.555 674 1HB LEU 86 2HB LEU 86 2.788 9.316 -4.722 675 2HB LEU 86 1HB LEU 86 3.000 7.576 -4.733 676 HG LEU 86 HG LEU 86 4.013 7.683 -2.496 677 1HD1 LEU 86 1HD1 LEU 86 3.379 10.093 -1.435 678 2HD1 LEU 86 2HD1 LEU 86 3.893 10.561 -3.057 679 3HD1 LEU 86 3HD1 LEU 86 4.985 9.649 -2.014 680 1HD2 LEU 86 1HD2 LEU 86 1.379 9.139 -2.554 681 2HD2 LEU 86 2HD2 LEU 86 1.996 8.076 -1.289 682 3HD2 LEU 86 3HD2 LEU 86 1.550 7.412 -2.862 683 H GLU 87 H GLU 87 5.010 6.577 -6.437 684 HA GLU 87 HA GLU 87 7.381 5.460 -5.521 685 1HB GLU 87 2HB GLU 87 6.535 3.626 -4.097 686 2HB GLU 87 1HB GLU 87 6.304 5.206 -3.365 687 1HG GLU 87 2HG GLU 87 4.208 4.575 -3.008 688 2HG GLU 87 1HG GLU 87 3.957 4.816 -4.736 Start of MODEL 19 1 1H MET 1 1HT MET 1 18.377 -8.041 -4.848 2 2H MET 1 2HT MET 1 19.477 -8.545 -6.028 3 3H MET 1 3HT MET 1 19.600 -9.140 -4.450 4 HA MET 1 HA MET 1 18.630 -10.770 -5.975 5 1HB MET 1 2HB MET 1 17.664 -9.854 -3.447 6 2HB MET 1 1HB MET 1 16.287 -10.400 -4.394 7 1HG MET 1 2HG MET 1 16.976 -12.280 -3.209 8 2HG MET 1 1HG MET 1 17.627 -12.515 -4.830 9 1HE MET 1 1HE MET 1 18.162 -13.078 -1.420 10 2HE MET 1 2HE MET 1 19.897 -13.369 -1.299 11 3HE MET 1 3HE MET 1 18.924 -14.302 -2.436 12 H GLY 2 H GLY 2 16.132 -8.339 -5.211 13 1HA GLY 2 2HA GLY 2 15.137 -7.111 -7.120 14 2HA GLY 2 1HA GLY 2 15.161 -8.639 -7.986 15 H GLN 3 H GLN 3 14.367 -9.203 -4.775 16 HA GLN 3 HA GLN 3 11.622 -9.743 -5.483 17 1HB GLN 3 2HB GLN 3 12.703 -9.954 -2.696 18 2HB GLN 3 1HB GLN 3 11.473 -10.933 -3.484 19 1HG GLN 3 2HG GLN 3 13.559 -11.552 -5.030 20 2HG GLN 3 1HG GLN 3 14.415 -11.171 -3.537 21 1HE2 GLN 3 1HE2 GLN 3 15.027 -13.170 -2.934 22 2HE2 GLN 3 2HE2 GLN 3 13.935 -14.454 -2.556 23 H VAL 4 H VAL 4 9.790 -8.801 -4.558 24 HA VAL 4 HA VAL 4 10.236 -6.355 -2.992 25 HB VAL 4 HB VAL 4 8.515 -5.169 -4.279 26 1HG1 VAL 4 1HG1 VAL 4 10.408 -4.419 -5.209 27 2HG1 VAL 4 2HG1 VAL 4 9.933 -5.409 -6.590 28 3HG1 VAL 4 3HG1 VAL 4 11.074 -6.042 -5.402 29 1HG2 VAL 4 1HG2 VAL 4 8.365 -7.771 -5.715 30 2HG2 VAL 4 2HG2 VAL 4 8.063 -6.283 -6.613 31 3HG2 VAL 4 3HG2 VAL 4 7.071 -6.681 -5.208 32 H VAL 5 H VAL 5 8.634 -5.787 -1.570 33 HA VAL 5 HA VAL 5 6.679 -7.881 -0.947 34 HB VAL 5 HB VAL 5 6.409 -6.768 1.213 35 1HG1 VAL 5 1HG1 VAL 5 9.045 -7.678 0.259 36 2HG1 VAL 5 2HG1 VAL 5 8.052 -8.266 1.593 37 3HG1 VAL 5 3HG1 VAL 5 9.036 -6.816 1.798 38 1HG2 VAL 5 1HG2 VAL 5 8.487 -4.799 0.258 39 2HG2 VAL 5 2HG2 VAL 5 7.717 -4.832 1.845 40 3HG2 VAL 5 3HG2 VAL 5 6.762 -4.458 0.409 41 H GLN 6 H GLN 6 4.532 -7.519 -1.217 42 HA GLN 6 HA GLN 6 3.817 -4.891 -2.288 43 1HB GLN 6 2HB GLN 6 2.514 -7.578 -2.687 44 2HB GLN 6 1HB GLN 6 1.915 -6.069 -3.356 45 1HG GLN 6 2HG GLN 6 3.181 -6.415 -5.128 46 2HG GLN 6 1HG GLN 6 4.599 -6.194 -4.103 47 1HE2 GLN 6 1HE2 GLN 6 5.479 -8.097 -3.066 48 2HE2 GLN 6 2HE2 GLN 6 5.344 -9.629 -3.851 49 H PHE 7 H PHE 7 1.986 -3.808 -1.703 50 HA PHE 7 HA PHE 7 0.874 -4.533 0.906 51 1HB PHE 7 2HB PHE 7 1.645 -2.313 0.999 52 2HB PHE 7 1HB PHE 7 1.113 -1.959 -0.639 53 HD1 PHE 7 1HD PHE 7 -0.441 -0.285 -0.626 54 HD2 PHE 7 2HD PHE 7 -0.628 -3.282 2.387 55 HE1 PHE 7 1HE PHE 7 -2.500 0.730 0.249 56 HE2 PHE 7 2HE PHE 7 -2.687 -2.272 3.270 57 HZ PHE 7 HZ PHE 7 -3.629 -0.261 2.202 58 H LYS 8 H LYS 8 -0.964 -5.620 0.853 59 HA LYS 8 HA LYS 8 -2.760 -5.271 -1.450 60 1HB LYS 8 2HB LYS 8 -1.832 -7.492 -1.316 61 2HB LYS 8 1HB LYS 8 -2.293 -7.630 0.372 62 1HG LYS 8 2HG LYS 8 -4.706 -7.189 -0.721 63 2HG LYS 8 1HG LYS 8 -3.897 -7.991 -2.069 64 1HD LYS 8 2HD LYS 8 -4.275 -9.033 0.735 65 2HD LYS 8 1HD LYS 8 -4.969 -9.676 -0.754 66 1HE LYS 8 2HE LYS 8 -2.738 -10.284 -1.540 67 2HE LYS 8 1HE LYS 8 -2.027 -9.612 -0.071 68 1HZ LYS 8 1HZ LYS 8 -3.902 -11.365 0.843 69 2HZ LYS 8 2HZ LYS 8 -2.237 -11.651 0.756 70 3HZ LYS 8 3HZ LYS 8 -3.250 -12.165 -0.498 71 H LEU 9 H LEU 9 -4.697 -4.417 -1.130 72 HA LEU 9 HA LEU 9 -5.655 -3.465 1.320 73 1HB LEU 9 2HB LEU 9 -6.361 -2.813 -1.036 74 2HB LEU 9 1HB LEU 9 -7.323 -4.273 -1.076 75 HG LEU 9 HG LEU 9 -8.847 -2.554 -0.612 76 1HD1 LEU 9 1HD1 LEU 9 -8.845 -4.573 0.975 77 2HD1 LEU 9 2HD1 LEU 9 -9.802 -3.161 1.411 78 3HD1 LEU 9 3HD1 LEU 9 -8.243 -3.438 2.182 79 1HD2 LEU 9 1HD2 LEU 9 -8.130 -0.594 0.094 80 2HD2 LEU 9 2HD2 LEU 9 -6.603 -1.296 0.641 81 3HD2 LEU 9 3HD2 LEU 9 -7.998 -1.265 1.722 82 H SER 10 H SER 10 -6.201 -4.709 3.054 83 HA SER 10 HA SER 10 -7.837 -7.092 2.573 84 1HB SER 10 2HB SER 10 -5.531 -7.899 2.720 85 2HB SER 10 1HB SER 10 -5.334 -7.088 4.273 86 HG SER 10 HG SER 10 -7.281 -9.086 3.762 87 H ASP 11 H ASP 11 -7.979 -4.281 3.901 88 HA ASP 11 HA ASP 11 -8.713 -5.002 6.614 89 1HB ASP 11 2HB ASP 11 -7.600 -2.764 5.651 90 2HB ASP 11 1HB ASP 11 -9.293 -2.292 5.543 91 H ILE 12 H ILE 12 -10.215 -4.710 3.559 92 HA ILE 12 HA ILE 12 -12.854 -4.231 4.681 93 HB ILE 12 HB ILE 12 -11.732 -4.276 1.901 94 1HG1 ILE 12 2HG1 ILE 12 -13.648 -2.222 2.594 95 2HG1 ILE 12 1HG1 ILE 12 -12.366 -2.326 3.796 96 1HG2 ILE 12 1HG2 ILE 12 -14.671 -4.331 2.539 97 2HG2 ILE 12 2HG2 ILE 12 -13.776 -5.615 1.731 98 3HG2 ILE 12 3HG2 ILE 12 -13.972 -4.045 0.949 99 1HD1 ILE 12 1HD1 ILE 12 -10.735 -1.714 2.302 100 2HD1 ILE 12 2HD1 ILE 12 -12.111 -0.758 1.761 101 3HD1 ILE 12 3HD1 ILE 12 -11.672 -2.233 0.901 102 H GLY 13 H GLY 13 -14.670 -5.604 4.002 103 1HA GLY 13 2HA GLY 13 -14.160 -8.338 4.650 104 2HA GLY 13 1HA GLY 13 -15.716 -7.639 4.235 105 H GLU 14 H GLU 14 -15.273 -10.100 3.351 106 HA GLU 14 HA GLU 14 -13.979 -10.307 0.845 107 1HB GLU 14 2HB GLU 14 -14.779 -12.141 2.546 108 2HB GLU 14 1HB GLU 14 -16.257 -12.096 1.593 109 1HG GLU 14 2HG GLU 14 -15.317 -13.131 -0.162 110 2HG GLU 14 1HG GLU 14 -13.774 -12.303 0.039 111 H GLY 15 H GLY 15 -17.228 -9.343 1.764 112 1HA GLY 15 2HA GLY 15 -17.717 -8.652 -1.043 113 2HA GLY 15 1HA GLY 15 -18.880 -9.697 -0.246 114 H ILE 16 H ILE 16 -17.171 -6.663 0.568 115 HA ILE 16 HA ILE 16 -19.786 -5.441 1.084 116 HB ILE 16 HB ILE 16 -19.059 -4.457 3.130 117 1HG1 ILE 16 2HG1 ILE 16 -16.480 -5.848 3.352 118 2HG1 ILE 16 1HG1 ILE 16 -16.511 -4.589 2.124 119 1HG2 ILE 16 1HG2 ILE 16 -18.376 -6.579 4.434 120 2HG2 ILE 16 2HG2 ILE 16 -18.571 -7.391 2.880 121 3HG2 ILE 16 3HG2 ILE 16 -19.934 -6.541 3.608 122 1HD1 ILE 16 1HD1 ILE 16 -16.550 -4.381 5.040 123 2HD1 ILE 16 2HD1 ILE 16 -17.677 -3.312 4.205 124 3HD1 ILE 16 3HD1 ILE 16 -15.956 -3.251 3.823 125 H ARG 17 H ARG 17 -18.523 -2.969 2.050 126 HA ARG 17 HA ARG 17 -18.018 -1.747 -0.490 127 1HB ARG 17 2HB ARG 17 -19.092 -0.824 1.789 128 2HB ARG 17 1HB ARG 17 -17.436 -0.287 2.034 129 1HG ARG 17 2HG ARG 17 -18.173 0.395 -0.613 130 2HG ARG 17 1HG ARG 17 -19.478 0.899 0.463 131 1HD ARG 17 2HD ARG 17 -18.087 2.306 1.692 132 2HD ARG 17 1HD ARG 17 -16.622 1.501 1.132 133 HE ARG 17 HE ARG 17 -16.643 2.824 -0.747 134 1HH1 ARG 17 1HH1 ARG 17 -19.682 3.124 0.927 135 2HH1 ARG 17 2HH1 ARG 17 -20.232 4.451 -0.041 136 1HH2 ARG 17 1HH2 ARG 17 -17.358 4.570 -2.028 137 2HH2 ARG 17 2HH2 ARG 17 -18.912 5.272 -1.721 138 H GLU 18 H GLU 18 -16.100 -0.856 -1.246 139 HA GLU 18 HA GLU 18 -13.679 -1.923 0.006 140 1HB GLU 18 2HB GLU 18 -14.153 -0.835 -2.772 141 2HB GLU 18 1HB GLU 18 -12.606 -1.438 -2.187 142 1HG GLU 18 2HG GLU 18 -15.149 -3.039 -2.399 143 2HG GLU 18 1HG GLU 18 -13.804 -3.092 -3.539 144 H VAL 19 H VAL 19 -11.635 -0.371 -0.431 145 HA VAL 19 HA VAL 19 -12.547 2.310 0.438 146 HB VAL 19 HB VAL 19 -11.609 1.024 2.310 147 1HG1 VAL 19 1HG1 VAL 19 -9.944 -0.190 0.796 148 2HG1 VAL 19 2HG1 VAL 19 -9.388 0.294 2.398 149 3HG1 VAL 19 3HG1 VAL 19 -8.929 1.240 0.982 150 1HG2 VAL 19 1HG2 VAL 19 -9.965 3.400 1.448 151 2HG2 VAL 19 2HG2 VAL 19 -10.050 2.756 3.088 152 3HG2 VAL 19 3HG2 VAL 19 -11.488 3.448 2.336 153 H THR 20 H THR 20 -11.403 4.115 -0.086 154 HA THR 20 HA THR 20 -9.708 3.883 -2.467 155 HB THR 20 HB THR 20 -10.501 6.562 -1.502 156 HG1 THR 20 1HG THR 20 -12.656 6.250 -2.362 157 1HG2 THR 20 1HG2 THR 20 -10.956 6.918 -3.879 158 2HG2 THR 20 2HG2 THR 20 -10.672 5.210 -4.196 159 3HG2 THR 20 3HG2 THR 20 -9.351 6.231 -3.635 160 H VAL 21 H VAL 21 -7.884 5.379 -2.670 161 HA VAL 21 HA VAL 21 -6.272 5.368 -0.268 162 HB VAL 21 HB VAL 21 -5.623 6.446 -3.020 163 1HG1 VAL 21 1HG1 VAL 21 -3.259 5.799 -1.781 164 2HG1 VAL 21 2HG1 VAL 21 -4.204 6.516 -0.476 165 3HG1 VAL 21 3HG1 VAL 21 -3.918 7.425 -1.961 166 1HG2 VAL 21 1HG2 VAL 21 -5.334 3.759 -1.751 167 2HG2 VAL 21 2HG2 VAL 21 -4.130 4.296 -2.923 168 3HG2 VAL 21 3HG2 VAL 21 -5.826 4.182 -3.391 169 H LYS 22 H LYS 22 -6.459 6.940 1.198 170 HA LYS 22 HA LYS 22 -7.626 9.480 0.525 171 1HB LYS 22 2HB LYS 22 -8.080 8.328 2.673 172 2HB LYS 22 1HB LYS 22 -6.404 8.587 3.138 173 1HG LYS 22 2HG LYS 22 -6.719 10.783 3.582 174 2HG LYS 22 1HG LYS 22 -7.936 10.976 2.319 175 1HD LYS 22 2HD LYS 22 -9.197 9.292 4.056 176 2HD LYS 22 1HD LYS 22 -8.248 10.297 5.153 177 1HE LYS 22 2HE LYS 22 -9.353 12.228 4.555 178 2HE LYS 22 1HE LYS 22 -9.814 11.599 2.974 179 1HZ LYS 22 1HZ LYS 22 -11.426 10.167 4.032 180 2HZ LYS 22 2HZ LYS 22 -11.705 11.772 4.489 181 3HZ LYS 22 3HZ LYS 22 -10.957 10.705 5.567 182 H GLU 23 H GLU 23 -4.387 8.263 1.080 183 HA GLU 23 HA GLU 23 -3.360 10.898 0.317 184 1HB GLU 23 2HB GLU 23 -3.293 10.102 2.935 185 2HB GLU 23 1HB GLU 23 -1.724 9.559 2.355 186 1HG GLU 23 2HG GLU 23 -2.314 12.244 1.465 187 2HG GLU 23 1HG GLU 23 -2.393 12.103 3.220 188 H TRP 24 H TRP 24 -1.478 10.895 -0.841 189 HA TRP 24 HA TRP 24 -0.132 8.339 -1.325 190 1HB TRP 24 2HB TRP 24 -1.675 9.925 -3.283 191 2HB TRP 24 1HB TRP 24 -0.085 9.411 -3.834 192 HD1 TRP 24 HD TRP 24 -3.323 8.314 -4.385 193 HE1 TRP 24 1HE TRP 24 -3.561 5.758 -4.558 194 HE3 TRP 24 3HE TRP 24 1.090 6.954 -2.226 195 HZ2 TRP 24 2HZ TRP 24 -2.069 3.466 -3.871 196 HZ3 TRP 24 3HZ TRP 24 1.616 4.562 -2.023 197 HH2 TRP 24 HH TRP 24 0.068 2.853 -2.828 198 H TYR 25 H TYR 25 1.938 8.679 -0.807 199 HA TYR 25 HA TYR 25 3.069 11.345 -1.350 200 1HB TYR 25 2HB TYR 25 2.944 9.988 1.046 201 2HB TYR 25 1HB TYR 25 4.585 9.666 0.498 202 HD1 TYR 25 1HD TYR 25 2.565 12.739 -0.048 203 HD2 TYR 25 2HD TYR 25 5.877 10.974 1.955 204 HE1 TYR 25 1HE TYR 25 3.263 14.961 0.743 205 HE2 TYR 25 2HE TYR 25 6.582 13.190 2.754 206 HH TYR 25 HH TYR 25 5.261 15.496 3.196 207 H VAL 26 H VAL 26 3.182 8.177 -2.438 208 HA VAL 26 HA VAL 26 5.835 8.656 -3.618 209 HB VAL 26 HB VAL 26 6.312 6.245 -3.487 210 1HG1 VAL 26 1HG1 VAL 26 6.371 8.118 -1.407 211 2HG1 VAL 26 2HG1 VAL 26 7.350 6.660 -1.569 212 3HG1 VAL 26 3HG1 VAL 26 5.828 6.606 -0.680 213 1HG2 VAL 26 1HG2 VAL 26 4.797 5.050 -1.708 214 2HG2 VAL 26 2HG2 VAL 26 4.334 5.084 -3.409 215 3HG2 VAL 26 3HG2 VAL 26 3.593 6.209 -2.270 216 H LYS 27 H LYS 27 6.217 7.542 -5.657 217 HA LYS 27 HA LYS 27 3.743 6.856 -7.099 218 1HB LYS 27 2HB LYS 27 5.409 9.109 -7.540 219 2HB LYS 27 1HB LYS 27 5.640 8.015 -8.898 220 1HG LYS 27 2HG LYS 27 3.246 7.992 -9.311 221 2HG LYS 27 1HG LYS 27 2.984 9.045 -7.920 222 1HD LYS 27 2HD LYS 27 4.530 10.701 -9.069 223 2HD LYS 27 1HD LYS 27 4.378 9.689 -10.508 224 1HE LYS 27 2HE LYS 27 1.775 9.993 -9.780 225 2HE LYS 27 1HE LYS 27 2.457 11.540 -9.281 226 1HZ LYS 27 1HZ LYS 27 2.028 10.482 -11.939 227 2HZ LYS 27 2HZ LYS 27 3.521 11.246 -11.719 228 3HZ LYS 27 3HZ LYS 27 2.088 12.087 -11.408 229 H GLU 28 H GLU 28 4.209 5.737 -9.201 230 HA GLU 28 HA GLU 28 5.540 3.342 -8.806 231 1HB GLU 28 2HB GLU 28 5.302 4.500 -11.566 232 2HB GLU 28 1HB GLU 28 5.098 2.835 -11.046 233 1HG GLU 28 2HG GLU 28 3.042 3.752 -9.764 234 2HG GLU 28 1HG GLU 28 3.187 5.119 -10.867 235 H GLY 29 H GLY 29 7.591 2.584 -9.148 236 1HA GLY 29 2HA GLY 29 9.832 2.599 -9.690 237 2HA GLY 29 1HA GLY 29 9.519 3.984 -10.723 238 H ASP 30 H ASP 30 8.339 4.679 -7.689 239 HA ASP 30 HA ASP 30 10.688 6.322 -7.114 240 1HB ASP 30 2HB ASP 30 8.086 7.025 -7.206 241 2HB ASP 30 1HB ASP 30 8.224 6.626 -5.495 242 H THR 31 H THR 31 11.524 6.508 -4.984 243 HA THR 31 HA THR 31 11.305 4.006 -3.473 244 HB THR 31 HB THR 31 13.382 6.174 -3.141 245 HG1 THR 31 1HG THR 31 14.026 5.432 -5.032 246 1HG2 THR 31 1HG2 THR 31 13.668 3.280 -2.410 247 2HG2 THR 31 2HG2 THR 31 12.885 4.412 -1.309 248 3HG2 THR 31 3HG2 THR 31 14.558 4.675 -1.799 249 H VAL 32 H VAL 32 10.834 3.960 -1.300 250 HA VAL 32 HA VAL 32 9.573 6.379 -0.238 251 HB VAL 32 HB VAL 32 9.050 4.277 1.549 252 1HG1 VAL 32 1HG1 VAL 32 6.928 4.971 1.279 253 2HG1 VAL 32 2HG1 VAL 32 7.016 4.903 -0.481 254 3HG1 VAL 32 3HG1 VAL 32 7.700 6.279 0.383 255 1HG2 VAL 32 1HG2 VAL 32 8.795 3.354 -1.304 256 2HG2 VAL 32 2HG2 VAL 32 7.892 2.643 0.031 257 3HG2 VAL 32 3HG2 VAL 32 9.654 2.562 0.018 258 H SER 33 H SER 33 9.798 6.804 2.093 259 HA SER 33 HA SER 33 12.382 5.914 3.176 260 1HB SER 33 2HB SER 33 11.358 8.742 2.940 261 2HB SER 33 1HB SER 33 12.630 8.293 4.076 262 HG SER 33 HG SER 33 13.002 8.968 1.635 263 H GLN 34 H GLN 34 12.576 6.533 5.555 264 HA GLN 34 HA GLN 34 10.524 5.315 7.004 265 1HB GLN 34 2HB GLN 34 12.995 6.790 7.641 266 2HB GLN 34 1HB GLN 34 11.778 6.801 8.909 267 1HG GLN 34 2HG GLN 34 11.923 4.544 9.264 268 2HG GLN 34 1HG GLN 34 12.490 4.213 7.627 269 1HE2 GLN 34 1HE2 GLN 34 13.676 6.467 10.088 270 2HE2 GLN 34 2HE2 GLN 34 15.272 5.811 10.170 271 H PHE 35 H PHE 35 10.916 8.589 5.979 272 HA PHE 35 HA PHE 35 8.741 9.474 7.738 273 1HB PHE 35 2HB PHE 35 10.698 11.047 6.058 274 2HB PHE 35 1HB PHE 35 9.403 11.766 7.010 275 HD1 PHE 35 1HD PHE 35 9.400 10.992 9.557 276 HD2 PHE 35 2HD PHE 35 12.786 10.960 6.979 277 HE1 PHE 35 1HE PHE 35 10.887 11.059 11.516 278 HE2 PHE 35 2HE PHE 35 14.280 11.026 8.933 279 HZ PHE 35 HZ PHE 35 13.331 11.076 11.205 280 H ASP 36 H ASP 36 9.392 8.591 4.493 281 HA ASP 36 HA ASP 36 7.055 10.047 3.500 282 1HB ASP 36 2HB ASP 36 9.550 9.161 2.333 283 2HB ASP 36 1HB ASP 36 8.178 8.593 1.386 284 H SER 37 H SER 37 5.366 8.850 4.352 285 HA SER 37 HA SER 37 5.138 6.052 4.296 286 1HB SER 37 2HB SER 37 2.702 6.449 4.597 287 2HB SER 37 1HB SER 37 3.681 7.419 5.698 288 HG SER 37 HG SER 37 2.242 8.223 3.417 289 H ILE 38 H ILE 38 3.639 4.765 2.945 290 HA ILE 38 HA ILE 38 4.046 5.443 0.147 291 HB ILE 38 HB ILE 38 2.811 2.984 1.393 292 1HG1 ILE 38 2HG1 ILE 38 5.587 3.759 0.562 293 2HG1 ILE 38 1HG1 ILE 38 5.055 2.954 2.030 294 1HG2 ILE 38 1HG2 ILE 38 1.936 3.118 -0.791 295 2HG2 ILE 38 2HG2 ILE 38 3.301 2.016 -0.921 296 3HG2 ILE 38 3HG2 ILE 38 3.463 3.683 -1.466 297 1HD1 ILE 38 1HD1 ILE 38 6.225 1.339 0.830 298 2HD1 ILE 38 2HD1 ILE 38 5.470 1.801 -0.695 299 3HD1 ILE 38 3HD1 ILE 38 4.526 0.962 0.536 300 H CYS 39 H CYS 39 1.174 4.062 1.751 301 HA CYS 39 HA CYS 39 -0.440 6.202 0.604 302 1HB CYS 39 2HB CYS 39 -1.294 4.928 -1.020 303 2HB CYS 39 1HB CYS 39 -0.293 3.584 -0.509 304 HG CYS 39 HG CYS 39 -3.114 2.973 -0.912 305 H GLU 40 H GLU 40 -2.602 6.318 1.499 306 HA GLU 40 HA GLU 40 -2.964 4.932 4.055 307 1HB GLU 40 2HB GLU 40 -3.229 7.923 3.672 308 2HB GLU 40 1HB GLU 40 -3.641 7.042 5.137 309 1HG GLU 40 2HG GLU 40 -1.528 6.987 5.829 310 2HG GLU 40 1HG GLU 40 -0.923 6.535 4.235 311 H VAL 41 H VAL 41 -4.949 4.091 4.162 312 HA VAL 41 HA VAL 41 -7.035 5.277 2.451 313 HB VAL 41 HB VAL 41 -8.033 3.086 2.210 314 1HG1 VAL 41 1HG1 VAL 41 -5.374 3.752 1.304 315 2HG1 VAL 41 2HG1 VAL 41 -6.696 2.976 0.432 316 3HG1 VAL 41 3HG1 VAL 41 -5.593 2.005 1.407 317 1HG2 VAL 41 1HG2 VAL 41 -7.400 2.208 4.428 318 2HG2 VAL 41 2HG2 VAL 41 -5.739 2.032 3.862 319 3HG2 VAL 41 3HG2 VAL 41 -7.028 1.081 3.124 320 H GLN 42 H GLN 42 -9.096 5.526 3.258 321 HA GLN 42 HA GLN 42 -9.499 4.868 6.096 322 1HB GLN 42 2HB GLN 42 -9.574 7.529 4.796 323 2HB GLN 42 1HB GLN 42 -10.859 7.189 5.947 324 1HG GLN 42 2HG GLN 42 -9.430 7.924 7.485 325 2HG GLN 42 1HG GLN 42 -8.645 6.356 7.308 326 1HE2 GLN 42 1HE2 GLN 42 -7.282 8.588 8.185 327 2HE2 GLN 42 2HE2 GLN 42 -6.122 9.053 6.992 328 H SER 43 H SER 43 -11.446 4.047 6.583 329 HA SER 43 HA SER 43 -13.603 4.276 4.599 330 1HB SER 43 2HB SER 43 -12.168 1.892 5.298 331 2HB SER 43 1HB SER 43 -13.838 1.737 5.842 332 HG SER 43 HG SER 43 -14.412 1.503 3.844 333 H ASP 44 H ASP 44 -15.725 4.143 5.439 334 HA ASP 44 HA ASP 44 -16.187 5.426 7.840 335 1HB ASP 44 2HB ASP 44 -17.852 3.828 5.970 336 2HB ASP 44 1HB ASP 44 -18.510 4.096 7.581 337 H LYS 45 H LYS 45 -15.632 2.051 7.216 338 HA LYS 45 HA LYS 45 -16.579 1.135 9.767 339 1HB LYS 45 2HB LYS 45 -16.602 -0.372 7.860 340 2HB LYS 45 1HB LYS 45 -14.861 -0.210 7.675 341 1HG LYS 45 2HG LYS 45 -15.437 -1.057 10.338 342 2HG LYS 45 1HG LYS 45 -16.284 -2.102 9.196 343 1HD LYS 45 2HD LYS 45 -13.335 -1.457 9.185 344 2HD LYS 45 1HD LYS 45 -14.069 -2.985 9.677 345 1HE LYS 45 2HE LYS 45 -13.901 -1.778 6.933 346 2HE LYS 45 1HE LYS 45 -13.316 -3.348 7.483 347 1HZ LYS 45 1HZ LYS 45 -15.892 -3.627 7.985 348 2HZ LYS 45 2HZ LYS 45 -15.211 -4.020 6.487 349 3HZ LYS 45 3HZ LYS 45 -15.999 -2.538 6.694 350 H ALA 46 H ALA 46 -13.314 1.181 8.321 351 HA ALA 46 HA ALA 46 -12.207 2.045 10.873 352 1HB ALA 46 1HB ALA 46 -10.475 0.224 10.773 353 2HB ALA 46 2HB ALA 46 -11.484 -0.565 9.561 354 3HB ALA 46 3HB ALA 46 -12.105 -0.304 11.192 355 H SER 47 H SER 47 -9.961 2.716 10.715 356 HA SER 47 HA SER 47 -9.340 3.709 8.024 357 1HB SER 47 2HB SER 47 -9.351 5.586 9.363 358 2HB SER 47 1HB SER 47 -8.801 4.704 10.787 359 HG SER 47 HG SER 47 -6.914 5.468 10.303 360 H VAL 48 H VAL 48 -7.442 3.246 7.010 361 HA VAL 48 HA VAL 48 -5.466 1.633 8.471 362 HB VAL 48 HB VAL 48 -6.018 0.956 5.613 363 1HG1 VAL 48 1HG1 VAL 48 -5.018 -1.093 6.142 364 2HG1 VAL 48 2HG1 VAL 48 -5.277 -0.876 7.873 365 3HG1 VAL 48 3HG1 VAL 48 -4.072 0.100 7.032 366 1HG2 VAL 48 1HG2 VAL 48 -8.225 0.898 6.725 367 2HG2 VAL 48 2HG2 VAL 48 -7.570 -0.222 7.920 368 3HG2 VAL 48 3HG2 VAL 48 -7.673 -0.700 6.226 369 H THR 49 H THR 49 -3.660 2.778 8.466 370 HA THR 49 HA THR 49 -2.934 4.283 6.038 371 HB THR 49 HB THR 49 -1.592 5.746 7.450 372 HG1 THR 49 1HG THR 49 -1.053 5.137 9.402 373 1HG2 THR 49 1HG2 THR 49 -3.840 6.486 7.179 374 2HG2 THR 49 2HG2 THR 49 -3.441 6.705 8.882 375 3HG2 THR 49 3HG2 THR 49 -4.434 5.338 8.378 376 H ILE 50 H ILE 50 -1.092 3.747 4.993 377 HA ILE 50 HA ILE 50 0.546 1.630 6.194 378 HB ILE 50 HB ILE 50 0.507 2.506 3.309 379 1HG1 ILE 50 2HG1 ILE 50 -1.693 1.669 3.916 380 2HG1 ILE 50 1HG1 ILE 50 -0.862 0.467 2.932 381 1HG2 ILE 50 1HG2 ILE 50 2.314 0.931 4.718 382 2HG2 ILE 50 2HG2 ILE 50 2.143 1.037 2.966 383 3HG2 ILE 50 3HG2 ILE 50 1.288 -0.219 3.860 384 1HD1 ILE 50 1HD1 ILE 50 -1.234 -1.039 4.504 385 2HD1 ILE 50 2HD1 ILE 50 -2.000 0.184 5.517 386 3HD1 ILE 50 3HD1 ILE 50 -0.262 -0.095 5.633 387 H THR 51 H THR 51 2.180 2.443 7.309 388 HA THR 51 HA THR 51 3.589 4.826 6.446 389 HB THR 51 HB THR 51 5.066 4.033 8.523 390 HG1 THR 51 1HG THR 51 3.740 2.065 8.679 391 1HG2 THR 51 1HG2 THR 51 2.595 5.611 8.263 392 2HG2 THR 51 2HG2 THR 51 4.155 6.052 8.958 393 3HG2 THR 51 3HG2 THR 51 2.999 5.118 9.908 394 H SER 52 H SER 52 6.148 4.527 6.903 395 HA SER 52 HA SER 52 6.938 2.419 5.026 396 1HB SER 52 2HB SER 52 8.667 4.746 5.840 397 2HB SER 52 1HB SER 52 8.774 3.749 4.390 398 HG SER 52 HG SER 52 7.690 5.374 3.575 399 H ARG 53 H ARG 53 8.683 4.098 7.647 400 HA ARG 53 HA ARG 53 9.739 3.302 9.505 401 1HB ARG 53 2HB ARG 53 9.225 1.287 10.432 402 2HB ARG 53 1HB ARG 53 7.896 1.401 9.295 403 1HG ARG 53 2HG ARG 53 8.471 -0.588 8.522 404 2HG ARG 53 1HG ARG 53 9.967 0.107 7.908 405 1HD ARG 53 2HD ARG 53 9.506 -1.171 10.596 406 2HD ARG 53 1HD ARG 53 10.503 -1.784 9.279 407 HE ARG 53 HE ARG 53 11.440 0.750 10.058 408 1HH1 ARG 53 1HH1 ARG 53 11.255 -2.521 11.232 409 2HH1 ARG 53 2HH1 ARG 53 12.702 -2.402 12.175 410 1HH2 ARG 53 1HH2 ARG 53 13.349 0.920 11.295 411 2HH2 ARG 53 2HH2 ARG 53 13.893 -0.445 12.213 412 H TYR 54 H TYR 54 10.417 2.517 6.320 413 HA TYR 54 HA TYR 54 13.225 2.525 6.756 414 1HB TYR 54 2HB TYR 54 11.854 -0.033 6.544 415 2HB TYR 54 1HB TYR 54 13.019 0.183 5.241 416 HD1 TYR 54 1HD TYR 54 12.903 -1.655 7.883 417 HD2 TYR 54 2HD TYR 54 15.082 1.798 6.686 418 HE1 TYR 54 1HE TYR 54 14.724 -2.282 9.413 419 HE2 TYR 54 2HE TYR 54 16.909 1.180 8.212 420 HH TYR 54 HH TYR 54 17.753 -0.482 9.506 421 H ASP 55 H ASP 55 14.341 2.157 4.508 422 HA ASP 55 HA ASP 55 12.706 3.642 2.596 423 1HB ASP 55 2HB ASP 55 15.635 3.079 2.238 424 2HB ASP 55 1HB ASP 55 14.681 4.421 1.611 425 H GLY 56 H GLY 56 11.791 2.679 0.944 426 1HA GLY 56 2HA GLY 56 13.021 0.224 -0.136 427 2HA GLY 56 1HA GLY 56 11.303 0.279 0.228 428 H VAL 57 H VAL 57 12.178 -0.380 -2.298 429 HA VAL 57 HA VAL 57 11.787 2.060 -3.890 430 HB VAL 57 HB VAL 57 12.693 -0.665 -4.821 431 1HG1 VAL 57 1HG1 VAL 57 12.369 0.081 -6.882 432 2HG1 VAL 57 2HG1 VAL 57 13.456 1.434 -6.567 433 3HG1 VAL 57 3HG1 VAL 57 11.730 1.596 -6.243 434 1HG2 VAL 57 1HG2 VAL 57 14.230 0.650 -3.248 435 2HG2 VAL 57 2HG2 VAL 57 14.417 1.780 -4.590 436 3HG2 VAL 57 3HG2 VAL 57 14.904 0.096 -4.781 437 H ILE 58 H ILE 58 9.869 2.467 -4.734 438 HA ILE 58 HA ILE 58 7.898 0.304 -4.976 439 HB ILE 58 HB ILE 58 7.391 3.265 -5.268 440 1HG1 ILE 58 2HG1 ILE 58 7.090 1.565 -2.792 441 2HG1 ILE 58 1HG1 ILE 58 8.404 2.703 -3.066 442 1HG2 ILE 58 1HG2 ILE 58 5.089 2.371 -4.414 443 2HG2 ILE 58 2HG2 ILE 58 5.687 0.826 -5.026 444 3HG2 ILE 58 3HG2 ILE 58 5.528 2.203 -6.117 445 1HD1 ILE 58 1HD1 ILE 58 6.426 3.441 -1.626 446 2HD1 ILE 58 2HD1 ILE 58 5.551 3.584 -3.151 447 3HD1 ILE 58 3HD1 ILE 58 7.005 4.543 -2.874 448 H LYS 59 H LYS 59 7.362 -0.481 -6.912 449 HA LYS 59 HA LYS 59 8.527 0.797 -9.261 450 1HB LYS 59 2HB LYS 59 7.594 -1.566 -10.186 451 2HB LYS 59 1HB LYS 59 9.205 -1.320 -9.547 452 1HG LYS 59 2HG LYS 59 8.371 -2.083 -7.336 453 2HG LYS 59 1HG LYS 59 6.825 -2.457 -8.104 454 1HD LYS 59 2HD LYS 59 8.301 -4.430 -7.901 455 2HD LYS 59 1HD LYS 59 7.895 -4.044 -9.575 456 1HE LYS 59 2HE LYS 59 10.300 -4.628 -9.186 457 2HE LYS 59 1HE LYS 59 10.030 -3.063 -9.951 458 1HZ LYS 59 1HZ LYS 59 10.769 -1.946 -8.142 459 2HZ LYS 59 2HZ LYS 59 11.654 -3.368 -7.908 460 3HZ LYS 59 3HZ LYS 59 10.226 -3.109 -7.039 461 H LYS 60 H LYS 60 5.364 -0.538 -8.248 462 HA LYS 60 HA LYS 60 4.160 1.229 -10.242 463 1HB LYS 60 2HB LYS 60 2.965 -0.417 -11.372 464 2HB LYS 60 1HB LYS 60 4.547 -1.147 -11.147 465 1HG LYS 60 2HG LYS 60 2.168 -1.676 -9.377 466 2HG LYS 60 1HG LYS 60 2.646 -2.687 -10.741 467 1HD LYS 60 2HD LYS 60 4.263 -2.118 -8.257 468 2HD LYS 60 1HD LYS 60 3.487 -3.641 -8.691 469 1HE LYS 60 2HE LYS 60 5.782 -2.297 -10.104 470 2HE LYS 60 1HE LYS 60 5.827 -3.806 -9.193 471 1HZ LYS 60 1HZ LYS 60 4.972 -3.318 -11.904 472 2HZ LYS 60 2HZ LYS 60 3.918 -4.302 -11.019 473 3HZ LYS 60 3HZ LYS 60 5.542 -4.741 -11.188 474 H LEU 61 H LEU 61 2.195 2.017 -9.778 475 HA LEU 61 HA LEU 61 0.878 1.096 -7.316 476 1HB LEU 61 2HB LEU 61 1.326 3.932 -8.248 477 2HB LEU 61 1HB LEU 61 0.205 3.500 -6.971 478 HG LEU 61 HG LEU 61 2.908 2.454 -6.539 479 1HD1 LEU 61 1HD1 LEU 61 2.698 5.367 -6.057 480 2HD1 LEU 61 2HD1 LEU 61 3.047 4.838 -7.703 481 3HD1 LEU 61 3HD1 LEU 61 4.115 4.367 -6.380 482 1HD2 LEU 61 1HD2 LEU 61 2.398 2.806 -4.363 483 2HD2 LEU 61 2HD2 LEU 61 0.760 2.756 -5.016 484 3HD2 LEU 61 3HD2 LEU 61 1.534 4.308 -4.691 485 H TYR 62 H TYR 62 -0.841 0.052 -8.089 486 HA TYR 62 HA TYR 62 -2.128 0.675 -10.528 487 1HB TYR 62 2HB TYR 62 -2.040 -1.502 -8.899 488 2HB TYR 62 1HB TYR 62 -3.667 -0.907 -8.587 489 HD1 TYR 62 1HD TYR 62 -5.371 -1.005 -10.284 490 HD2 TYR 62 2HD TYR 62 -1.399 -2.261 -11.143 491 HE1 TYR 62 1HE TYR 62 -6.162 -2.068 -12.354 492 HE2 TYR 62 2HE TYR 62 -2.178 -3.326 -13.218 493 HH TYR 62 HH TYR 62 -3.919 -3.495 -14.666 494 H TYR 63 H TYR 63 -3.134 1.251 -7.143 495 HA TYR 63 HA TYR 63 -5.391 2.806 -8.209 496 1HB TYR 63 2HB TYR 63 -4.961 1.602 -5.472 497 2HB TYR 63 1HB TYR 63 -6.361 2.560 -5.929 498 HD1 TYR 63 1HD TYR 63 -5.917 -0.495 -5.032 499 HD2 TYR 63 2HD TYR 63 -6.808 1.489 -8.689 500 HE1 TYR 63 1HE TYR 63 -7.025 -2.528 -5.858 501 HE2 TYR 63 2HE TYR 63 -7.919 -0.538 -9.525 502 HH TYR 63 HH TYR 63 -7.498 -3.455 -8.423 503 H ASN 64 H ASN 64 -5.592 4.927 -7.892 504 HA ASN 64 HA ASN 64 -3.476 6.315 -6.425 505 1HB ASN 64 2HB ASN 64 -5.576 7.489 -8.254 506 2HB ASN 64 1HB ASN 64 -4.133 8.299 -7.641 507 1HD2 ASN 64 1HD2 ASN 64 -2.145 7.835 -8.545 508 2HD2 ASN 64 2HD2 ASN 64 -1.976 6.975 -10.033 509 H LEU 65 H LEU 65 -4.692 8.690 -5.904 510 HA LEU 65 HA LEU 65 -5.853 8.331 -3.429 511 1HB LEU 65 2HB LEU 65 -5.516 10.566 -5.340 512 2HB LEU 65 1HB LEU 65 -6.666 10.796 -4.046 513 HG LEU 65 HG LEU 65 -3.914 9.847 -3.402 514 1HD1 LEU 65 1HD1 LEU 65 -3.450 12.374 -3.039 515 2HD1 LEU 65 2HD1 LEU 65 -4.706 12.596 -4.257 516 3HD1 LEU 65 3HD1 LEU 65 -3.254 11.674 -4.646 517 1HD2 LEU 65 1HD2 LEU 65 -4.972 9.890 -1.426 518 2HD2 LEU 65 2HD2 LEU 65 -6.224 10.993 -1.998 519 3HD2 LEU 65 3HD2 LEU 65 -4.653 11.622 -1.500 520 H ASP 66 H ASP 66 -7.328 8.258 -6.556 521 HA ASP 66 HA ASP 66 -9.999 8.575 -5.390 522 1HB ASP 66 2HB ASP 66 -9.165 9.817 -7.513 523 2HB ASP 66 1HB ASP 66 -9.456 8.284 -8.328 524 H ASP 67 H ASP 67 -7.904 6.198 -6.799 525 HA ASP 67 HA ASP 67 -9.915 4.320 -7.504 526 1HB ASP 67 2HB ASP 67 -6.965 4.019 -7.001 527 2HB ASP 67 1HB ASP 67 -7.987 2.696 -7.544 528 H ILE 68 H ILE 68 -10.499 2.403 -6.537 529 HA ILE 68 HA ILE 68 -10.178 2.288 -3.601 530 HB ILE 68 HB ILE 68 -12.298 0.715 -4.964 531 1HG1 ILE 68 2HG1 ILE 68 -12.384 3.041 -5.970 532 2HG1 ILE 68 1HG1 ILE 68 -13.850 2.510 -5.150 533 1HG2 ILE 68 1HG2 ILE 68 -11.739 0.725 -2.480 534 2HG2 ILE 68 2HG2 ILE 68 -13.434 0.933 -2.927 535 3HG2 ILE 68 3HG2 ILE 68 -12.480 2.328 -2.443 536 1HD1 ILE 68 1HD1 ILE 68 -12.649 4.900 -4.770 537 2HD1 ILE 68 2HD1 ILE 68 -11.952 3.948 -3.459 538 3HD1 ILE 68 3HD1 ILE 68 -13.703 4.110 -3.595 539 H ALA 69 H ALA 69 -9.405 0.506 -2.687 540 HA ALA 69 HA ALA 69 -8.558 -1.631 -4.500 541 1HB ALA 69 1HB ALA 69 -7.611 -1.042 -1.702 542 2HB ALA 69 2HB ALA 69 -6.786 -0.564 -3.181 543 3HB ALA 69 3HB ALA 69 -6.966 -2.272 -2.785 544 H TYR 70 H TYR 70 -9.027 -3.747 -4.094 545 HA TYR 70 HA TYR 70 -11.030 -4.288 -2.017 546 1HB TYR 70 2HB TYR 70 -12.157 -5.823 -3.587 547 2HB TYR 70 1HB TYR 70 -12.155 -4.166 -4.182 548 HD1 TYR 70 1HD TYR 70 -10.799 -7.540 -4.673 549 HD2 TYR 70 2HD TYR 70 -10.880 -3.549 -6.144 550 HE1 TYR 70 1HE TYR 70 -9.783 -8.303 -6.779 551 HE2 TYR 70 2HE TYR 70 -9.864 -4.300 -8.254 552 HH TYR 70 HH TYR 70 -9.875 -6.876 -9.490 553 H VAL 71 H VAL 71 -10.890 -6.230 -0.971 554 HA VAL 71 HA VAL 71 -8.367 -7.404 -0.745 555 HB VAL 71 HB VAL 71 -10.958 -8.715 0.060 556 1HG1 VAL 71 1HG1 VAL 71 -8.096 -9.143 0.667 557 2HG1 VAL 71 2HG1 VAL 71 -9.424 -10.300 0.574 558 3HG1 VAL 71 3HG1 VAL 71 -9.226 -9.299 2.013 559 1HG2 VAL 71 1HG2 VAL 71 -11.338 -7.064 1.495 560 2HG2 VAL 71 2HG2 VAL 71 -9.920 -6.204 0.896 561 3HG2 VAL 71 3HG2 VAL 71 -9.760 -7.343 2.233 562 H GLY 72 H GLY 72 -7.440 -9.240 -1.542 563 1HA GLY 72 2HA GLY 72 -7.865 -11.470 -2.564 564 2HA GLY 72 1HA GLY 72 -8.961 -10.639 -3.654 565 H LYS 73 H LYS 73 -6.692 -8.414 -3.493 566 HA LYS 73 HA LYS 73 -4.621 -9.678 -5.057 567 1HB LYS 73 2HB LYS 73 -6.846 -8.369 -6.339 568 2HB LYS 73 1HB LYS 73 -5.347 -7.528 -6.709 569 1HG LYS 73 2HG LYS 73 -4.601 -10.109 -7.079 570 2HG LYS 73 1HG LYS 73 -6.296 -10.163 -7.567 571 1HD LYS 73 2HD LYS 73 -5.680 -9.336 -9.539 572 2HD LYS 73 1HD LYS 73 -5.261 -7.832 -8.716 573 1HE LYS 73 2HE LYS 73 -3.003 -8.463 -8.495 574 2HE LYS 73 1HE LYS 73 -3.353 -10.146 -8.884 575 1HZ LYS 73 1HZ LYS 73 -2.414 -8.343 -10.634 576 2HZ LYS 73 2HZ LYS 73 -4.073 -8.260 -10.951 577 3HZ LYS 73 3HZ LYS 73 -3.262 -9.740 -11.071 578 HA PRO 74 HA PRO 74 -2.175 -6.607 -2.998 579 1HB PRO 74 2HB PRO 74 -0.497 -6.763 -5.453 580 2HB PRO 74 1HB PRO 74 -0.032 -6.949 -3.758 581 1HG PRO 74 2HG PRO 74 -0.218 -9.077 -5.336 582 2HG PRO 74 1HG PRO 74 -0.783 -9.146 -3.655 583 1HD PRO 74 2HD PRO 74 -2.367 -8.901 -6.181 584 2HD PRO 74 1HD PRO 74 -2.722 -9.833 -4.711 585 H LEU 75 H LEU 75 -1.324 -4.425 -3.321 586 HA LEU 75 HA LEU 75 -2.820 -2.990 -5.412 587 1HB LEU 75 2HB LEU 75 -3.461 -2.558 -3.032 588 2HB LEU 75 1HB LEU 75 -1.855 -1.907 -2.769 589 HG LEU 75 HG LEU 75 -3.580 -0.750 -4.924 590 1HD1 LEU 75 1HD1 LEU 75 -4.899 0.443 -3.527 591 2HD1 LEU 75 2HD1 LEU 75 -3.684 0.504 -2.251 592 3HD1 LEU 75 3HD1 LEU 75 -4.648 -0.956 -2.481 593 1HD2 LEU 75 1HD2 LEU 75 -1.253 0.116 -3.258 594 2HD2 LEU 75 2HD2 LEU 75 -2.311 1.315 -4.001 595 3HD2 LEU 75 3HD2 LEU 75 -1.451 0.152 -5.010 596 H VAL 76 H VAL 76 0.218 -2.921 -3.548 597 HA VAL 76 HA VAL 76 1.547 -1.802 -5.919 598 HB VAL 76 HB VAL 76 1.103 0.150 -4.579 599 1HG1 VAL 76 1HG1 VAL 76 2.305 -1.433 -2.319 600 2HG1 VAL 76 2HG1 VAL 76 0.663 -0.799 -2.442 601 3HG1 VAL 76 3HG1 VAL 76 2.024 0.307 -2.255 602 1HG2 VAL 76 1HG2 VAL 76 3.961 -0.447 -3.918 603 2HG2 VAL 76 2HG2 VAL 76 3.236 1.057 -4.480 604 3HG2 VAL 76 3HG2 VAL 76 3.451 -0.287 -5.596 605 H ASP 77 H ASP 77 3.837 -2.129 -5.976 606 HA ASP 77 HA ASP 77 4.759 -4.280 -4.188 607 1HB ASP 77 2HB ASP 77 5.835 -3.755 -6.961 608 2HB ASP 77 1HB ASP 77 6.095 -5.171 -5.954 609 H ILE 78 H ILE 78 6.411 -3.774 -2.893 610 HA ILE 78 HA ILE 78 8.245 -1.626 -3.714 611 HB ILE 78 HB ILE 78 7.379 -1.830 -0.858 612 1HG1 ILE 78 2HG1 ILE 78 5.889 0.256 -1.739 613 2HG1 ILE 78 1HG1 ILE 78 5.789 -0.811 -3.132 614 1HG2 ILE 78 1HG2 ILE 78 9.200 -0.434 -1.018 615 2HG2 ILE 78 2HG2 ILE 78 7.862 0.710 -1.141 616 3HG2 ILE 78 3HG2 ILE 78 8.716 0.192 -2.595 617 1HD1 ILE 78 1HD1 ILE 78 4.188 -1.925 -2.112 618 2HD1 ILE 78 2HD1 ILE 78 4.390 -0.951 -0.655 619 3HD1 ILE 78 3HD1 ILE 78 5.348 -2.417 -0.876 620 H GLU 79 H GLU 79 10.369 -1.763 -2.844 621 HA GLU 79 HA GLU 79 11.000 -4.442 -1.823 622 1HB GLU 79 2HB GLU 79 12.516 -2.365 -3.337 623 2HB GLU 79 1HB GLU 79 13.422 -3.440 -2.281 624 1HG GLU 79 2HG GLU 79 11.758 -5.135 -3.693 625 2HG GLU 79 1HG GLU 79 12.264 -3.935 -4.881 626 H THR 80 H THR 80 11.078 -4.597 0.296 627 HA THR 80 HA THR 80 12.589 -2.631 1.835 628 HB THR 80 HB THR 80 10.752 -2.827 3.650 629 HG1 THR 80 1HG THR 80 9.223 -4.146 2.928 630 1HG2 THR 80 1HG2 THR 80 11.263 -0.730 2.550 631 2HG2 THR 80 2HG2 THR 80 9.513 -0.908 2.673 632 3HG2 THR 80 3HG2 THR 80 10.324 -1.206 1.136 633 H GLU 81 H GLU 81 13.266 -3.444 3.936 634 HA GLU 81 HA GLU 81 14.195 -6.077 3.867 635 1HB GLU 81 2HB GLU 81 13.890 -4.058 6.069 636 2HB GLU 81 1HB GLU 81 14.447 -5.686 6.429 637 1HG GLU 81 2HG GLU 81 16.090 -5.068 4.392 638 2HG GLU 81 1HG GLU 81 15.822 -3.465 5.077 639 H ALA 82 H ALA 82 13.598 -7.918 5.154 640 HA ALA 82 HA ALA 82 11.088 -8.859 4.947 641 1HB ALA 82 1HB ALA 82 13.271 -9.924 5.941 642 2HB ALA 82 2HB ALA 82 11.683 -10.590 6.321 643 3HB ALA 82 3HB ALA 82 12.498 -9.539 7.479 644 H LEU 83 H LEU 83 9.204 -7.999 5.501 645 HA LEU 83 HA LEU 83 8.953 -6.758 8.161 646 1HB LEU 83 2HB LEU 83 8.082 -5.889 5.500 647 2HB LEU 83 1HB LEU 83 6.832 -5.787 6.726 648 HG LEU 83 HG LEU 83 9.017 -4.649 7.975 649 1HD1 LEU 83 1HD1 LEU 83 9.169 -2.923 5.754 650 2HD1 LEU 83 2HD1 LEU 83 9.472 -4.554 5.154 651 3HD1 LEU 83 3HD1 LEU 83 10.456 -3.898 6.462 652 1HD2 LEU 83 1HD2 LEU 83 6.562 -3.974 7.843 653 2HD2 LEU 83 2HD2 LEU 83 7.006 -3.082 6.388 654 3HD2 LEU 83 3HD2 LEU 83 7.752 -2.675 7.934 655 H LYS 84 H LYS 84 7.158 -7.200 9.393 656 HA LYS 84 HA LYS 84 6.024 -9.769 9.132 657 1HB LYS 84 2HB LYS 84 6.400 -8.459 11.269 658 2HB LYS 84 1HB LYS 84 4.960 -7.537 10.859 659 1HG LYS 84 2HG LYS 84 3.579 -9.462 11.029 660 2HG LYS 84 1HG LYS 84 4.980 -10.528 11.151 661 1HD LYS 84 2HD LYS 84 4.941 -10.311 13.362 662 2HD LYS 84 1HD LYS 84 5.209 -8.575 13.190 663 1HE LYS 84 2HE LYS 84 2.533 -8.874 12.597 664 2HE LYS 84 1HE LYS 84 2.791 -10.034 13.899 665 1HZ LYS 84 1HZ LYS 84 2.568 -8.297 15.249 666 2HZ LYS 84 2HZ LYS 84 2.729 -7.172 13.997 667 3HZ LYS 84 3HZ LYS 84 4.107 -7.809 14.743 668 H ASP 85 H ASP 85 5.082 -6.700 7.900 669 HA ASP 85 HA ASP 85 2.473 -6.452 7.684 670 1HB ASP 85 2HB ASP 85 4.252 -5.229 6.350 671 2HB ASP 85 1HB ASP 85 4.094 -6.503 5.144 672 H LEU 86 H LEU 86 4.185 -8.863 5.680 673 HA LEU 86 HA LEU 86 1.572 -10.098 5.114 674 1HB LEU 86 2HB LEU 86 4.084 -10.766 3.627 675 2HB LEU 86 1HB LEU 86 2.418 -10.944 3.113 676 HG LEU 86 HG LEU 86 2.729 -8.200 3.484 677 1HD1 LEU 86 1HD1 LEU 86 5.078 -8.248 3.600 678 2HD1 LEU 86 2HD1 LEU 86 4.699 -7.780 1.942 679 3HD1 LEU 86 3HD1 LEU 86 5.200 -9.433 2.300 680 1HD2 LEU 86 1HD2 LEU 86 2.636 -10.018 1.104 681 2HD2 LEU 86 2HD2 LEU 86 2.799 -8.275 0.903 682 3HD2 LEU 86 3HD2 LEU 86 1.390 -8.939 1.732 683 H GLU 87 H GLU 87 4.714 -10.597 6.497 684 HA GLU 87 HA GLU 87 3.945 -13.357 7.188 685 1HB GLU 87 2HB GLU 87 6.560 -13.538 7.509 686 2HB GLU 87 1HB GLU 87 5.822 -13.754 5.928 687 1HG GLU 87 2HG GLU 87 6.624 -11.774 5.125 688 2HG GLU 87 1HG GLU 87 6.677 -11.024 6.719 Start of MODEL 20 1 1H MET 1 1HT MET 1 18.069 6.296 2.988 2 2H MET 1 2HT MET 1 19.103 4.987 3.266 3 3H MET 1 3HT MET 1 19.557 6.206 2.186 4 HA MET 1 HA MET 1 20.668 6.303 4.400 5 1HB MET 1 2HB MET 1 19.773 8.265 2.680 6 2HB MET 1 1HB MET 1 19.194 8.829 4.242 7 1HG MET 1 2HG MET 1 21.703 8.198 4.913 8 2HG MET 1 1HG MET 1 21.947 8.579 3.210 9 1HE MET 1 1HE MET 1 21.929 11.272 2.300 10 2HE MET 1 2HE MET 1 23.248 10.413 3.097 11 3HE MET 1 3HE MET 1 22.856 12.065 3.574 12 H GLY 2 H GLY 2 17.898 5.083 4.808 13 1HA GLY 2 2HA GLY 2 17.040 4.560 6.972 14 2HA GLY 2 1HA GLY 2 17.554 6.146 7.524 15 H GLN 3 H GLN 3 16.227 6.886 4.682 16 HA GLN 3 HA GLN 3 13.714 7.649 5.911 17 1HB GLN 3 2HB GLN 3 14.993 8.297 3.261 18 2HB GLN 3 1HB GLN 3 13.367 8.817 3.683 19 1HG GLN 3 2HG GLN 3 14.095 10.380 5.147 20 2HG GLN 3 1HG GLN 3 15.512 9.443 5.617 21 1HE2 GLN 3 1HE2 GLN 3 14.299 10.745 2.542 22 2HE2 GLN 3 2HE2 GLN 3 15.758 11.569 2.121 23 H VAL 4 H VAL 4 11.653 7.220 4.976 24 HA VAL 4 HA VAL 4 11.554 4.950 3.119 25 HB VAL 4 HB VAL 4 9.597 4.061 4.486 26 1HG1 VAL 4 1HG1 VAL 4 11.323 2.613 4.627 27 2HG1 VAL 4 2HG1 VAL 4 11.354 3.182 6.296 28 3HG1 VAL 4 3HG1 VAL 4 12.475 3.858 5.114 29 1HG2 VAL 4 1HG2 VAL 4 10.855 5.818 6.590 30 2HG2 VAL 4 2HG2 VAL 4 9.623 4.587 6.881 31 3HG2 VAL 4 3HG2 VAL 4 9.242 6.001 5.898 32 H VAL 5 H VAL 5 9.745 4.818 1.829 33 HA VAL 5 HA VAL 5 8.177 7.285 1.604 34 HB VAL 5 HB VAL 5 7.477 6.375 -0.599 35 1HG1 VAL 5 1HG1 VAL 5 9.194 7.681 -1.176 36 2HG1 VAL 5 2HG1 VAL 5 10.123 6.191 -1.338 37 3HG1 VAL 5 3HG1 VAL 5 10.188 7.112 0.165 38 1HG2 VAL 5 1HG2 VAL 5 9.563 4.249 -0.358 39 2HG2 VAL 5 2HG2 VAL 5 8.181 4.343 -1.445 40 3HG2 VAL 5 3HG2 VAL 5 7.937 3.948 0.252 41 H GLN 6 H GLN 6 5.982 7.298 1.868 42 HA GLN 6 HA GLN 6 4.851 4.872 3.041 43 1HB GLN 6 2HB GLN 6 4.758 7.563 3.748 44 2HB GLN 6 1HB GLN 6 3.144 7.202 3.153 45 1HG GLN 6 2HG GLN 6 2.719 5.684 4.818 46 2HG GLN 6 1HG GLN 6 4.428 5.349 5.098 47 1HE2 GLN 6 1HE2 GLN 6 3.171 8.604 4.813 48 2HE2 GLN 6 2HE2 GLN 6 3.390 9.037 6.471 49 H PHE 7 H PHE 7 2.953 3.962 2.433 50 HA PHE 7 HA PHE 7 1.917 4.772 -0.195 51 1HB PHE 7 2HB PHE 7 2.705 2.581 -0.481 52 2HB PHE 7 1HB PHE 7 2.196 2.083 1.126 53 HD1 PHE 7 1HD PHE 7 1.138 2.642 -2.327 54 HD2 PHE 7 2HD PHE 7 -0.073 1.417 1.560 55 HE1 PHE 7 1HE PHE 7 -0.937 1.713 -3.269 56 HE2 PHE 7 2HE PHE 7 -2.148 0.486 0.630 57 HZ PHE 7 HZ PHE 7 -2.583 0.633 -1.789 58 H LYS 8 H LYS 8 -0.184 5.304 -0.376 59 HA LYS 8 HA LYS 8 -1.903 4.974 1.994 60 1HB LYS 8 2HB LYS 8 -2.799 7.169 1.685 61 2HB LYS 8 1HB LYS 8 -1.047 7.316 1.678 62 1HG LYS 8 2HG LYS 8 -1.035 7.483 -0.736 63 2HG LYS 8 1HG LYS 8 -2.781 7.232 -0.782 64 1HD LYS 8 2HD LYS 8 -2.250 9.594 -1.018 65 2HD LYS 8 1HD LYS 8 -3.102 9.300 0.499 66 1HE LYS 8 2HE LYS 8 -1.062 9.431 1.744 67 2HE LYS 8 1HE LYS 8 -0.105 9.492 0.265 68 1HZ LYS 8 1HZ LYS 8 -2.085 11.564 1.031 69 2HZ LYS 8 2HZ LYS 8 -0.966 11.638 -0.234 70 3HZ LYS 8 3HZ LYS 8 -0.431 11.674 1.370 71 H LEU 9 H LEU 9 -4.062 4.566 1.659 72 HA LEU 9 HA LEU 9 -4.879 3.056 -0.514 73 1HB LEU 9 2HB LEU 9 -5.993 3.169 1.684 74 2HB LEU 9 1HB LEU 9 -6.537 4.790 1.332 75 HG LEU 9 HG LEU 9 -8.353 3.221 1.127 76 1HD1 LEU 9 1HD1 LEU 9 -9.285 4.166 -0.673 77 2HD1 LEU 9 2HD1 LEU 9 -7.921 3.777 -1.721 78 3HD1 LEU 9 3HD1 LEU 9 -7.829 5.157 -0.627 79 1HD2 LEU 9 1HD2 LEU 9 -7.816 1.784 -1.201 80 2HD2 LEU 9 2HD2 LEU 9 -8.041 1.166 0.439 81 3HD2 LEU 9 3HD2 LEU 9 -6.419 1.564 -0.144 82 H SER 10 H SER 10 -4.985 3.684 -2.601 83 HA SER 10 HA SER 10 -6.188 6.295 -3.203 84 1HB SER 10 2HB SER 10 -3.522 5.266 -4.097 85 2HB SER 10 1HB SER 10 -4.442 6.331 -5.161 86 HG SER 10 HG SER 10 -4.602 7.666 -3.107 87 H ASP 11 H ASP 11 -7.950 4.606 -3.465 88 HA ASP 11 HA ASP 11 -7.929 3.644 -6.247 89 1HB ASP 11 2HB ASP 11 -9.388 2.340 -3.942 90 2HB ASP 11 1HB ASP 11 -9.272 1.742 -5.594 91 H ILE 12 H ILE 12 -9.774 5.059 -3.617 92 HA ILE 12 HA ILE 12 -11.909 5.741 -5.524 93 HB ILE 12 HB ILE 12 -13.147 6.168 -3.198 94 1HG1 ILE 12 2HG1 ILE 12 -11.064 5.405 -1.951 95 2HG1 ILE 12 1HG1 ILE 12 -12.575 4.631 -1.486 96 1HG2 ILE 12 1HG2 ILE 12 -13.989 4.774 -4.978 97 2HG2 ILE 12 2HG2 ILE 12 -14.150 3.934 -3.436 98 3HG2 ILE 12 3HG2 ILE 12 -12.855 3.493 -4.549 99 1HD1 ILE 12 1HD1 ILE 12 -10.201 3.376 -2.176 100 2HD1 ILE 12 2HD1 ILE 12 -11.243 3.160 -3.582 101 3HD1 ILE 12 3HD1 ILE 12 -11.785 2.623 -1.993 102 H GLY 13 H GLY 13 -13.224 7.711 -4.330 103 1HA GLY 13 2HA GLY 13 -11.492 9.960 -4.637 104 2HA GLY 13 1HA GLY 13 -13.191 10.009 -4.196 105 H GLU 14 H GLU 14 -11.612 11.809 -3.019 106 HA GLU 14 HA GLU 14 -10.624 10.810 -0.486 107 1HB GLU 14 2HB GLU 14 -9.404 12.577 -1.657 108 2HB GLU 14 1HB GLU 14 -10.812 13.625 -1.570 109 1HG GLU 14 2HG GLU 14 -10.583 13.953 0.719 110 2HG GLU 14 1HG GLU 14 -9.557 12.532 0.916 111 H GLY 15 H GLY 15 -13.637 11.007 -1.350 112 1HA GLY 15 2HA GLY 15 -14.551 11.682 1.305 113 2HA GLY 15 1HA GLY 15 -15.089 12.800 0.063 114 H ILE 16 H ILE 16 -14.640 9.363 -0.477 115 HA ILE 16 HA ILE 16 -17.554 8.998 -0.503 116 HB ILE 16 HB ILE 16 -17.455 7.781 -2.577 117 1HG1 ILE 16 2HG1 ILE 16 -14.841 8.383 -3.530 118 2HG1 ILE 16 1HG1 ILE 16 -14.672 7.603 -1.958 119 1HG2 ILE 16 1HG2 ILE 16 -17.777 10.162 -2.769 120 2HG2 ILE 16 2HG2 ILE 16 -16.792 9.592 -4.117 121 3HG2 ILE 16 3HG2 ILE 16 -16.034 10.429 -2.763 122 1HD1 ILE 16 1HD1 ILE 16 -16.604 6.174 -3.476 123 2HD1 ILE 16 2HD1 ILE 16 -15.031 5.636 -2.885 124 3HD1 ILE 16 3HD1 ILE 16 -15.163 6.412 -4.464 125 H ARG 17 H ARG 17 -17.703 6.394 -1.266 126 HA ARG 17 HA ARG 17 -17.252 4.953 1.035 127 1HB ARG 17 2HB ARG 17 -18.171 4.411 -1.617 128 2HB ARG 17 1HB ARG 17 -17.055 3.137 -1.143 129 1HG ARG 17 2HG ARG 17 -18.867 3.723 1.007 130 2HG ARG 17 1HG ARG 17 -19.756 3.374 -0.477 131 1HD ARG 17 2HD ARG 17 -17.720 1.647 0.913 132 2HD ARG 17 1HD ARG 17 -19.431 1.307 0.653 133 HE ARG 17 HE ARG 17 -18.487 1.547 -1.859 134 1HH1 ARG 17 1HH1 ARG 17 -17.418 -0.286 0.901 135 2HH1 ARG 17 2HH1 ARG 17 -16.755 -1.575 -0.048 136 1HH2 ARG 17 1HH2 ARG 17 -17.619 -0.142 -3.119 137 2HH2 ARG 17 2HH2 ARG 17 -16.868 -1.491 -2.335 138 H GLU 18 H GLU 18 -15.690 3.512 1.731 139 HA GLU 18 HA GLU 18 -13.038 3.935 0.563 140 1HB GLU 18 2HB GLU 18 -13.846 2.835 3.259 141 2HB GLU 18 1HB GLU 18 -12.194 3.091 2.720 142 1HG GLU 18 2HG GLU 18 -12.303 5.340 2.970 143 2HG GLU 18 1HG GLU 18 -14.024 5.408 2.592 144 H VAL 19 H VAL 19 -11.520 1.908 0.912 145 HA VAL 19 HA VAL 19 -13.047 -0.478 0.074 146 HB VAL 19 HB VAL 19 -11.933 0.650 -1.855 147 1HG1 VAL 19 1HG1 VAL 19 -9.884 1.249 -0.419 148 2HG1 VAL 19 2HG1 VAL 19 -9.619 0.758 -2.092 149 3HG1 VAL 19 3HG1 VAL 19 -9.335 -0.387 -0.780 150 1HG2 VAL 19 1HG2 VAL 19 -12.426 -1.882 -1.541 151 2HG2 VAL 19 2HG2 VAL 19 -10.671 -2.030 -1.456 152 3HG2 VAL 19 3HG2 VAL 19 -11.431 -1.352 -2.897 153 H THR 20 H THR 20 -12.274 -2.489 0.633 154 HA THR 20 HA THR 20 -10.375 -2.511 2.868 155 HB THR 20 HB THR 20 -11.834 -4.976 2.054 156 HG1 THR 20 1HG THR 20 -13.757 -4.280 2.801 157 1HG2 THR 20 1HG2 THR 20 -11.393 -3.751 4.773 158 2HG2 THR 20 2HG2 THR 20 -10.268 -4.867 4.003 159 3HG2 THR 20 3HG2 THR 20 -11.898 -5.398 4.412 160 H VAL 21 H VAL 21 -8.763 -4.177 2.987 161 HA VAL 21 HA VAL 21 -7.475 -4.619 0.442 162 HB VAL 21 HB VAL 21 -6.615 -5.697 3.129 163 1HG1 VAL 21 1HG1 VAL 21 -4.341 -5.306 1.842 164 2HG1 VAL 21 2HG1 VAL 21 -5.381 -5.498 0.430 165 3HG1 VAL 21 3HG1 VAL 21 -5.275 -6.786 1.630 166 1HG2 VAL 21 1HG2 VAL 21 -6.710 -3.409 3.535 167 2HG2 VAL 21 2HG2 VAL 21 -6.243 -2.999 1.884 168 3HG2 VAL 21 3HG2 VAL 21 -5.046 -3.651 3.003 169 H LYS 22 H LYS 22 -7.320 -6.506 -0.675 170 HA LYS 22 HA LYS 22 -8.989 -8.717 0.280 171 1HB LYS 22 2HB LYS 22 -8.720 -7.438 -2.237 172 2HB LYS 22 1HB LYS 22 -8.137 -9.086 -2.425 173 1HG LYS 22 2HG LYS 22 -10.633 -8.905 -0.931 174 2HG LYS 22 1HG LYS 22 -10.747 -8.286 -2.579 175 1HD LYS 22 2HD LYS 22 -10.129 -10.338 -3.515 176 2HD LYS 22 1HD LYS 22 -9.463 -10.932 -1.993 177 1HE LYS 22 2HE LYS 22 -11.679 -11.096 -1.045 178 2HE LYS 22 1HE LYS 22 -12.384 -10.383 -2.495 179 1HZ LYS 22 1HZ LYS 22 -11.684 -12.291 -3.763 180 2HZ LYS 22 2HZ LYS 22 -12.599 -12.808 -2.438 181 3HZ LYS 22 3HZ LYS 22 -10.915 -12.962 -2.413 182 H GLU 23 H GLU 23 -5.735 -7.930 -0.779 183 HA GLU 23 HA GLU 23 -4.872 -10.553 0.191 184 1HB GLU 23 2HB GLU 23 -4.647 -9.548 -2.571 185 2HB GLU 23 1HB GLU 23 -3.175 -10.244 -1.908 186 1HG GLU 23 2HG GLU 23 -5.307 -11.981 -1.256 187 2HG GLU 23 1HG GLU 23 -5.458 -11.562 -2.961 188 H TRP 24 H TRP 24 -3.232 -10.399 1.544 189 HA TRP 24 HA TRP 24 -1.492 -8.019 1.422 190 1HB TRP 24 2HB TRP 24 -2.824 -9.382 3.706 191 2HB TRP 24 1HB TRP 24 -1.193 -8.787 3.984 192 HD1 TRP 24 HD TRP 24 -4.684 -7.689 4.154 193 HE1 TRP 24 1HE TRP 24 -4.834 -5.126 4.355 194 HE3 TRP 24 3HE TRP 24 0.125 -6.492 2.905 195 HZ2 TRP 24 2HZ TRP 24 -3.140 -2.895 4.024 196 HZ3 TRP 24 3HZ TRP 24 0.778 -4.122 2.865 197 HH2 TRP 24 HH TRP 24 -0.821 -2.361 3.414 198 H TYR 25 H TYR 25 0.491 -8.561 0.727 199 HA TYR 25 HA TYR 25 1.524 -11.219 1.484 200 1HB TYR 25 2HB TYR 25 1.267 -9.956 -1.106 201 2HB TYR 25 1HB TYR 25 2.941 -10.394 -0.781 202 HD1 TYR 25 1HD TYR 25 -0.027 -11.530 -2.171 203 HD2 TYR 25 2HD TYR 25 3.168 -12.852 0.307 204 HE1 TYR 25 1HE TYR 25 -0.531 -13.860 -2.775 205 HE2 TYR 25 2HE TYR 25 2.677 -15.186 -0.292 206 HH TYR 25 HH TYR 25 -0.017 -16.263 -1.430 207 H VAL 26 H VAL 26 1.914 -8.839 3.050 208 HA VAL 26 HA VAL 26 4.791 -8.941 3.217 209 HB VAL 26 HB VAL 26 5.263 -6.618 2.978 210 1HG1 VAL 26 1HG1 VAL 26 4.772 -6.232 0.645 211 2HG1 VAL 26 2HG1 VAL 26 3.488 -7.437 0.689 212 3HG1 VAL 26 3HG1 VAL 26 5.167 -7.929 0.911 213 1HG2 VAL 26 1HG2 VAL 26 2.281 -6.274 2.793 214 2HG2 VAL 26 2HG2 VAL 26 3.404 -5.041 2.217 215 3HG2 VAL 26 3HG2 VAL 26 3.410 -5.515 3.916 216 H LYS 27 H LYS 27 5.622 -7.930 5.179 217 HA LYS 27 HA LYS 27 3.581 -7.257 7.172 218 1HB LYS 27 2HB LYS 27 4.837 -9.758 7.067 219 2HB LYS 27 1HB LYS 27 5.651 -8.887 8.360 220 1HG LYS 27 2HG LYS 27 3.868 -10.080 9.347 221 2HG LYS 27 1HG LYS 27 3.389 -8.382 9.315 222 1HD LYS 27 2HD LYS 27 2.525 -9.520 6.884 223 2HD LYS 27 1HD LYS 27 2.076 -10.649 8.164 224 1HE LYS 27 2HE LYS 27 0.755 -9.072 9.257 225 2HE LYS 27 1HE LYS 27 1.530 -7.717 8.438 226 1HZ LYS 27 1HZ LYS 27 0.507 -8.924 6.348 227 2HZ LYS 27 2HZ LYS 27 -0.393 -7.824 7.265 228 3HZ LYS 27 3HZ LYS 27 -0.597 -9.486 7.501 229 H GLU 28 H GLU 28 4.596 -6.482 9.231 230 HA GLU 28 HA GLU 28 6.215 -4.256 8.768 231 1HB GLU 28 2HB GLU 28 6.260 -5.545 11.467 232 2HB GLU 28 1HB GLU 28 6.118 -3.847 11.048 233 1HG GLU 28 2HG GLU 28 3.797 -4.671 10.073 234 2HG GLU 28 1HG GLU 28 4.029 -5.928 11.285 235 H GLY 29 H GLY 29 8.402 -3.893 8.794 236 1HA GLY 29 2HA GLY 29 10.660 -4.339 8.984 237 2HA GLY 29 1HA GLY 29 10.248 -5.723 9.986 238 H ASP 30 H ASP 30 8.530 -5.967 7.147 239 HA ASP 30 HA ASP 30 10.420 -7.951 6.130 240 1HB ASP 30 2HB ASP 30 7.707 -8.073 6.534 241 2HB ASP 30 1HB ASP 30 7.807 -7.740 4.807 242 H THR 31 H THR 31 10.896 -8.096 3.877 243 HA THR 31 HA THR 31 10.952 -5.461 2.599 244 HB THR 31 HB THR 31 12.490 -7.900 1.719 245 HG1 THR 31 1HG THR 31 13.575 -5.825 3.312 246 1HG2 THR 31 1HG2 THR 31 13.075 -4.967 1.330 247 2HG2 THR 31 2HG2 THR 31 12.220 -5.959 0.150 248 3HG2 THR 31 3HG2 THR 31 13.891 -6.334 0.572 249 H VAL 32 H VAL 32 10.440 -5.207 0.400 250 HA VAL 32 HA VAL 32 8.525 -7.186 -0.619 251 HB VAL 32 HB VAL 32 8.115 -4.866 -2.091 252 1HG1 VAL 32 1HG1 VAL 32 6.106 -5.676 -1.622 253 2HG1 VAL 32 2HG1 VAL 32 6.210 -4.851 -0.066 254 3HG1 VAL 32 3HG1 VAL 32 6.719 -6.534 -0.208 255 1HG2 VAL 32 1HG2 VAL 32 7.651 -3.153 -0.329 256 2HG2 VAL 32 2HG2 VAL 32 9.363 -3.455 -0.623 257 3HG2 VAL 32 3HG2 VAL 32 8.577 -4.143 0.798 258 H SER 33 H SER 33 8.372 -7.386 -2.966 259 HA SER 33 HA SER 33 10.791 -6.646 -4.437 260 1HB SER 33 2HB SER 33 9.825 -9.400 -4.935 261 2HB SER 33 1HB SER 33 11.471 -8.770 -4.899 262 HG SER 33 HG SER 33 11.565 -9.660 -3.004 263 H GLN 34 H GLN 34 10.543 -6.888 -6.788 264 HA GLN 34 HA GLN 34 8.275 -5.702 -7.798 265 1HB GLN 34 2HB GLN 34 10.589 -7.099 -8.912 266 2HB GLN 34 1HB GLN 34 9.157 -7.233 -9.923 267 1HG GLN 34 2HG GLN 34 9.089 -4.606 -9.390 268 2HG GLN 34 1HG GLN 34 10.826 -4.888 -9.298 269 1HE2 GLN 34 1HE2 GLN 34 11.689 -6.237 -11.168 270 2HE2 GLN 34 2HE2 GLN 34 11.108 -5.820 -12.740 271 H PHE 35 H PHE 35 8.898 -9.097 -7.226 272 HA PHE 35 HA PHE 35 6.423 -9.908 -8.521 273 1HB PHE 35 2HB PHE 35 8.749 -11.181 -8.417 274 2HB PHE 35 1HB PHE 35 8.085 -11.794 -6.908 275 HD1 PHE 35 1HD PHE 35 5.187 -11.446 -8.502 276 HD2 PHE 35 2HD PHE 35 8.792 -13.665 -8.955 277 HE1 PHE 35 1HE PHE 35 3.961 -13.178 -9.748 278 HE2 PHE 35 2HE PHE 35 7.572 -15.398 -10.202 279 HZ PHE 35 HZ PHE 35 5.154 -15.156 -10.600 280 H ASP 36 H ASP 36 7.642 -9.204 -5.361 281 HA ASP 36 HA ASP 36 5.340 -10.453 -4.066 282 1HB ASP 36 2HB ASP 36 8.032 -9.957 -3.293 283 2HB ASP 36 1HB ASP 36 6.989 -9.046 -2.206 284 H SER 37 H SER 37 3.642 -9.112 -4.631 285 HA SER 37 HA SER 37 3.689 -6.298 -4.526 286 1HB SER 37 2HB SER 37 1.301 -6.396 -4.752 287 2HB SER 37 1HB SER 37 1.970 -7.718 -5.709 288 HG SER 37 HG SER 37 1.345 -9.156 -4.159 289 H ILE 38 H ILE 38 2.514 -4.908 -3.009 290 HA ILE 38 HA ILE 38 3.121 -5.675 -0.275 291 HB ILE 38 HB ILE 38 1.971 -3.065 -1.272 292 1HG1 ILE 38 2HG1 ILE 38 4.757 -4.149 -1.147 293 2HG1 ILE 38 1HG1 ILE 38 4.015 -3.118 -2.360 294 1HG2 ILE 38 1HG2 ILE 38 2.257 -2.216 0.837 295 2HG2 ILE 38 2HG2 ILE 38 3.577 -3.321 1.224 296 3HG2 ILE 38 3HG2 ILE 38 1.912 -3.897 1.248 297 1HD1 ILE 38 1HD1 ILE 38 5.384 -1.589 -1.443 298 2HD1 ILE 38 2HD1 ILE 38 5.451 -2.416 0.115 299 3HD1 ILE 38 3HD1 ILE 38 4.056 -1.413 -0.296 300 H CYS 39 H CYS 39 0.295 -4.139 -1.793 301 HA CYS 39 HA CYS 39 -1.443 -5.924 -0.258 302 1HB CYS 39 2HB CYS 39 -2.815 -4.135 0.554 303 2HB CYS 39 1HB CYS 39 -1.152 -3.758 0.987 304 HG CYS 39 HG CYS 39 -1.033 -2.135 -1.523 305 H GLU 40 H GLU 40 -3.666 -5.935 -1.063 306 HA GLU 40 HA GLU 40 -3.998 -4.887 -3.773 307 1HB GLU 40 2HB GLU 40 -3.164 -7.372 -3.659 308 2HB GLU 40 1HB GLU 40 -4.831 -7.712 -3.216 309 1HG GLU 40 2HG GLU 40 -5.389 -6.319 -5.342 310 2HG GLU 40 1HG GLU 40 -3.725 -6.692 -5.789 311 H VAL 41 H VAL 41 -5.914 -3.916 -3.942 312 HA VAL 41 HA VAL 41 -8.057 -4.763 -2.105 313 HB VAL 41 HB VAL 41 -8.880 -2.466 -2.076 314 1HG1 VAL 41 1HG1 VAL 41 -6.200 -3.206 -1.114 315 2HG1 VAL 41 2HG1 VAL 41 -7.600 -2.601 -0.228 316 3HG1 VAL 41 3HG1 VAL 41 -6.560 -1.480 -1.108 317 1HG2 VAL 41 1HG2 VAL 41 -6.414 -1.749 -3.657 318 2HG2 VAL 41 2HG2 VAL 41 -7.656 -0.644 -3.070 319 3HG2 VAL 41 3HG2 VAL 41 -8.048 -1.826 -4.317 320 H GLN 42 H GLN 42 -10.167 -4.806 -2.889 321 HA GLN 42 HA GLN 42 -10.495 -4.359 -5.776 322 1HB GLN 42 2HB GLN 42 -11.209 -6.859 -4.250 323 2HB GLN 42 1HB GLN 42 -11.903 -6.475 -5.819 324 1HG GLN 42 2HG GLN 42 -9.667 -6.448 -6.803 325 2HG GLN 42 1HG GLN 42 -8.973 -6.841 -5.231 326 1HE2 GLN 42 1HE2 GLN 42 -8.295 -8.496 -7.128 327 2HE2 GLN 42 2HE2 GLN 42 -9.163 -9.987 -7.049 328 H SER 43 H SER 43 -12.178 -3.122 -6.200 329 HA SER 43 HA SER 43 -14.292 -2.875 -4.172 330 1HB SER 43 2HB SER 43 -13.069 -0.794 -4.673 331 2HB SER 43 1HB SER 43 -13.516 -0.942 -6.372 332 HG SER 43 HG SER 43 -15.181 -0.441 -4.146 333 H ASP 44 H ASP 44 -16.489 -2.704 -4.870 334 HA ASP 44 HA ASP 44 -17.267 -4.636 -6.728 335 1HB ASP 44 2HB ASP 44 -18.807 -2.326 -5.538 336 2HB ASP 44 1HB ASP 44 -19.548 -3.597 -6.507 337 H LYS 45 H LYS 45 -16.256 -1.408 -7.250 338 HA LYS 45 HA LYS 45 -17.564 -1.290 -9.865 339 1HB LYS 45 2HB LYS 45 -16.379 1.053 -9.828 340 2HB LYS 45 1HB LYS 45 -17.859 0.785 -8.919 341 1HG LYS 45 2HG LYS 45 -16.716 0.678 -6.875 342 2HG LYS 45 1HG LYS 45 -15.153 0.470 -7.666 343 1HD LYS 45 2HD LYS 45 -16.287 2.890 -8.613 344 2HD LYS 45 1HD LYS 45 -16.427 2.880 -6.853 345 1HE LYS 45 2HE LYS 45 -14.037 2.371 -6.673 346 2HE LYS 45 1HE LYS 45 -13.901 2.398 -8.431 347 1HZ LYS 45 1HZ LYS 45 -13.988 4.637 -8.493 348 2HZ LYS 45 2HZ LYS 45 -13.397 4.503 -6.915 349 3HZ LYS 45 3HZ LYS 45 -15.047 4.763 -7.179 350 H ALA 46 H ALA 46 -14.323 -1.105 -8.414 351 HA ALA 46 HA ALA 46 -13.206 -2.213 -10.862 352 1HB ALA 46 1HB ALA 46 -13.213 0.439 -10.768 353 2HB ALA 46 2HB ALA 46 -11.869 -0.470 -11.460 354 3HB ALA 46 3HB ALA 46 -11.756 0.154 -9.815 355 H SER 47 H SER 47 -11.004 -2.961 -10.612 356 HA SER 47 HA SER 47 -10.318 -3.523 -7.800 357 1HB SER 47 2HB SER 47 -9.881 -5.204 -10.279 358 2HB SER 47 1HB SER 47 -9.185 -5.579 -8.702 359 HG SER 47 HG SER 47 -11.018 -6.657 -8.566 360 H VAL 48 H VAL 48 -8.230 -3.185 -7.119 361 HA VAL 48 HA VAL 48 -6.269 -2.318 -9.120 362 HB VAL 48 HB VAL 48 -6.444 -0.789 -6.556 363 1HG1 VAL 48 1HG1 VAL 48 -5.317 -0.326 -9.297 364 2HG1 VAL 48 2HG1 VAL 48 -4.479 -0.348 -7.746 365 3HG1 VAL 48 3HG1 VAL 48 -5.546 0.996 -8.153 366 1HG2 VAL 48 1HG2 VAL 48 -7.711 0.937 -8.091 367 2HG2 VAL 48 2HG2 VAL 48 -8.595 -0.294 -7.189 368 3HG2 VAL 48 3HG2 VAL 48 -8.260 -0.529 -8.904 369 H THR 49 H THR 49 -4.474 -3.428 -8.889 370 HA THR 49 HA THR 49 -3.828 -4.612 -6.279 371 HB THR 49 HB THR 49 -2.396 -6.164 -7.456 372 HG1 THR 49 1HG THR 49 -3.155 -5.013 -9.930 373 1HG2 THR 49 1HG2 THR 49 -5.059 -6.271 -7.534 374 2HG2 THR 49 2HG2 THR 49 -4.047 -7.482 -8.323 375 3HG2 THR 49 3HG2 THR 49 -4.750 -6.170 -9.268 376 H ILE 50 H ILE 50 -2.048 -3.982 -5.164 377 HA ILE 50 HA ILE 50 -0.449 -1.838 -6.354 378 HB ILE 50 HB ILE 50 -0.618 -2.727 -3.474 379 1HG1 ILE 50 2HG1 ILE 50 -1.722 -0.394 -3.319 380 2HG1 ILE 50 1HG1 ILE 50 -1.963 -0.554 -5.054 381 1HG2 ILE 50 1HG2 ILE 50 1.338 -1.169 -4.792 382 2HG2 ILE 50 2HG2 ILE 50 1.166 -1.472 -3.063 383 3HG2 ILE 50 3HG2 ILE 50 0.373 -0.077 -3.798 384 1HD1 ILE 50 1HD1 ILE 50 -2.898 -2.658 -3.143 385 2HD1 ILE 50 2HD1 ILE 50 -3.419 -2.355 -4.800 386 3HD1 ILE 50 3HD1 ILE 50 -3.871 -1.236 -3.514 387 H THR 51 H THR 51 1.244 -2.558 -7.430 388 HA THR 51 HA THR 51 2.769 -4.847 -6.473 389 HB THR 51 HB THR 51 4.169 -4.247 -8.593 390 HG1 THR 51 1HG THR 51 2.724 -3.189 -10.161 391 1HG2 THR 51 1HG2 THR 51 1.332 -5.189 -8.992 392 2HG2 THR 51 2HG2 THR 51 2.606 -6.189 -8.294 393 3HG2 THR 51 3HG2 THR 51 2.750 -5.608 -9.953 394 H SER 52 H SER 52 5.304 -4.407 -6.945 395 HA SER 52 HA SER 52 5.941 -2.118 -5.225 396 1HB SER 52 2HB SER 52 6.625 -4.619 -4.747 397 2HB SER 52 1HB SER 52 7.936 -4.252 -5.867 398 HG SER 52 HG SER 52 8.871 -3.316 -4.248 399 H ARG 53 H ARG 53 7.023 -3.754 -8.184 400 HA ARG 53 HA ARG 53 8.062 -2.979 -10.047 401 1HB ARG 53 2HB ARG 53 7.680 -0.833 -10.740 402 2HB ARG 53 1HB ARG 53 6.502 -0.911 -9.447 403 1HG ARG 53 2HG ARG 53 7.398 0.931 -8.622 404 2HG ARG 53 1HG ARG 53 8.852 0.013 -8.241 405 1HD ARG 53 2HD ARG 53 9.388 1.993 -9.555 406 2HD ARG 53 1HD ARG 53 9.753 0.523 -10.459 407 HE ARG 53 HE ARG 53 7.140 1.619 -10.986 408 1HH1 ARG 53 1HH1 ARG 53 10.510 1.666 -11.861 409 2HH1 ARG 53 2HH1 ARG 53 10.218 2.248 -13.466 410 1HH2 ARG 53 1HH2 ARG 53 6.745 2.387 -13.097 411 2HH2 ARG 53 2HH2 ARG 53 8.078 2.660 -14.168 412 H TYR 54 H TYR 54 9.269 -3.068 -7.079 413 HA TYR 54 HA TYR 54 11.950 -3.172 -7.791 414 1HB TYR 54 2HB TYR 54 10.953 -0.530 -6.894 415 2HB TYR 54 1HB TYR 54 12.408 -1.104 -6.086 416 HD1 TYR 54 1HD TYR 54 14.221 -2.112 -7.794 417 HD2 TYR 54 2HD TYR 54 11.245 0.765 -8.777 418 HE1 TYR 54 1HE TYR 54 15.579 -1.369 -9.705 419 HE2 TYR 54 2HE TYR 54 12.595 1.516 -10.690 420 HH TYR 54 HH TYR 54 14.865 1.492 -11.465 421 H ASP 55 H ASP 55 13.312 -3.259 -5.640 422 HA ASP 55 HA ASP 55 11.636 -4.712 -3.730 423 1HB ASP 55 2HB ASP 55 13.687 -5.697 -2.882 424 2HB ASP 55 1HB ASP 55 13.607 -5.897 -4.630 425 H GLY 56 H GLY 56 11.017 -3.752 -1.928 426 1HA GLY 56 2HA GLY 56 12.730 -1.608 -0.846 427 2HA GLY 56 1HA GLY 56 10.986 -1.434 -0.942 428 H VAL 57 H VAL 57 12.299 -1.062 1.425 429 HA VAL 57 HA VAL 57 11.888 -3.532 2.956 430 HB VAL 57 HB VAL 57 13.182 -0.941 3.819 431 1HG1 VAL 57 1HG1 VAL 57 14.056 -2.597 5.643 432 2HG1 VAL 57 2HG1 VAL 57 12.604 -3.509 5.226 433 3HG1 VAL 57 3HG1 VAL 57 12.467 -1.850 5.808 434 1HG2 VAL 57 1HG2 VAL 57 14.185 -3.266 2.388 435 2HG2 VAL 57 2HG2 VAL 57 15.088 -2.935 3.867 436 3HG2 VAL 57 3HG2 VAL 57 14.923 -1.684 2.635 437 H ILE 58 H ILE 58 10.088 -3.819 4.069 438 HA ILE 58 HA ILE 58 8.345 -1.523 4.619 439 HB ILE 58 HB ILE 58 7.558 -4.400 4.992 440 1HG1 ILE 58 2HG1 ILE 58 7.544 -2.786 2.436 441 2HG1 ILE 58 1HG1 ILE 58 8.432 -4.274 2.737 442 1HG2 ILE 58 1HG2 ILE 58 6.242 -1.792 5.021 443 2HG2 ILE 58 2HG2 ILE 58 5.739 -3.322 5.737 444 3HG2 ILE 58 3HG2 ILE 58 5.407 -2.993 4.037 445 1HD1 ILE 58 1HD1 ILE 58 6.727 -5.455 1.999 446 2HD1 ILE 58 2HD1 ILE 58 5.858 -3.959 1.655 447 3HD1 ILE 58 3HD1 ILE 58 5.675 -4.745 3.224 448 H LYS 59 H LYS 59 8.128 -0.750 6.600 449 HA LYS 59 HA LYS 59 9.418 -2.190 8.791 450 1HB LYS 59 2HB LYS 59 10.120 0.109 8.369 451 2HB LYS 59 1HB LYS 59 8.472 0.668 8.615 452 1HG LYS 59 2HG LYS 59 8.793 -0.546 10.942 453 2HG LYS 59 1HG LYS 59 10.493 -0.220 10.594 454 1HD LYS 59 2HD LYS 59 9.138 2.144 9.970 455 2HD LYS 59 1HD LYS 59 8.423 1.581 11.482 456 1HE LYS 59 2HE LYS 59 10.167 2.597 12.456 457 2HE LYS 59 1HE LYS 59 11.084 1.184 11.935 458 1HZ LYS 59 1HZ LYS 59 10.904 3.824 10.605 459 2HZ LYS 59 2HZ LYS 59 11.522 2.456 9.827 460 3HZ LYS 59 3HZ LYS 59 12.283 3.055 11.214 461 H LYS 60 H LYS 60 6.210 -0.925 7.926 462 HA LYS 60 HA LYS 60 5.079 -2.593 9.979 463 1HB LYS 60 2HB LYS 60 3.828 -0.405 10.868 464 2HB LYS 60 1HB LYS 60 5.315 -1.012 11.578 465 1HG LYS 60 2HG LYS 60 5.679 1.273 11.346 466 2HG LYS 60 1HG LYS 60 6.520 0.566 9.967 467 1HD LYS 60 2HD LYS 60 5.293 1.779 8.567 468 2HD LYS 60 1HD LYS 60 3.811 1.089 9.235 469 1HE LYS 60 2HE LYS 60 4.360 2.830 11.176 470 2HE LYS 60 1HE LYS 60 5.157 3.660 9.841 471 1HZ LYS 60 1HZ LYS 60 3.124 3.726 8.633 472 2HZ LYS 60 2HZ LYS 60 2.801 4.302 10.191 473 3HZ LYS 60 3HZ LYS 60 2.340 2.734 9.758 474 H LEU 61 H LEU 61 2.932 -2.963 9.831 475 HA LEU 61 HA LEU 61 1.371 -1.562 7.798 476 1HB LEU 61 2HB LEU 61 1.605 -4.567 7.992 477 2HB LEU 61 1HB LEU 61 0.501 -3.700 6.940 478 HG LEU 61 HG LEU 61 3.183 -2.792 6.454 479 1HD1 LEU 61 1HD1 LEU 61 4.353 -4.700 5.925 480 2HD1 LEU 61 2HD1 LEU 61 2.899 -5.694 5.823 481 3HD1 LEU 61 3HD1 LEU 61 3.520 -5.197 7.397 482 1HD2 LEU 61 1HD2 LEU 61 1.759 -4.486 4.507 483 2HD2 LEU 61 2HD2 LEU 61 2.501 -2.899 4.304 484 3HD2 LEU 61 3HD2 LEU 61 0.910 -3.040 5.054 485 H TYR 62 H TYR 62 -0.633 -1.079 8.551 486 HA TYR 62 HA TYR 62 -1.467 -2.405 11.043 487 1HB TYR 62 2HB TYR 62 -1.009 0.087 11.055 488 2HB TYR 62 1HB TYR 62 -2.432 0.269 10.034 489 HD1 TYR 62 1HD TYR 62 -4.349 0.904 11.130 490 HD2 TYR 62 2HD TYR 62 -1.531 -1.524 13.194 491 HE1 TYR 62 1HE TYR 62 -5.782 0.953 13.129 492 HE2 TYR 62 2HE TYR 62 -2.956 -1.483 15.199 493 HH TYR 62 HH TYR 62 -4.815 0.255 16.103 494 H TYR 63 H TYR 63 -2.554 -1.476 7.836 495 HA TYR 63 HA TYR 63 -5.246 -2.424 8.351 496 1HB TYR 63 2HB TYR 63 -3.951 -1.355 5.837 497 2HB TYR 63 1HB TYR 63 -5.656 -1.777 5.986 498 HD1 TYR 63 1HD TYR 63 -7.174 -0.136 6.623 499 HD2 TYR 63 2HD TYR 63 -3.062 0.382 7.577 500 HE1 TYR 63 1HE TYR 63 -7.661 2.118 7.480 501 HE2 TYR 63 2HE TYR 63 -3.534 2.635 8.433 502 HH TYR 63 HH TYR 63 -5.082 4.276 8.565 503 H ASN 64 H ASN 64 -6.093 -4.325 7.766 504 HA ASN 64 HA ASN 64 -4.357 -6.211 6.320 505 1HB ASN 64 2HB ASN 64 -6.416 -6.791 8.454 506 2HB ASN 64 1HB ASN 64 -5.489 -8.012 7.580 507 1HD2 ASN 64 1HD2 ASN 64 -3.370 -8.364 8.102 508 2HD2 ASN 64 2HD2 ASN 64 -2.606 -7.669 9.487 509 H LEU 65 H LEU 65 -5.980 -8.222 5.815 510 HA LEU 65 HA LEU 65 -7.354 -7.544 3.525 511 1HB LEU 65 2HB LEU 65 -7.560 -9.930 5.346 512 2HB LEU 65 1HB LEU 65 -8.345 -9.841 3.790 513 HG LEU 65 HG LEU 65 -5.721 -9.222 3.195 514 1HD1 LEU 65 1HD1 LEU 65 -5.197 -11.690 4.564 515 2HD1 LEU 65 2HD1 LEU 65 -5.685 -10.443 5.712 516 3HD1 LEU 65 3HD1 LEU 65 -4.320 -10.163 4.633 517 1HD2 LEU 65 1HD2 LEU 65 -7.539 -10.838 2.193 518 2HD2 LEU 65 2HD2 LEU 65 -6.633 -12.054 3.093 519 3HD2 LEU 65 3HD2 LEU 65 -5.824 -11.083 1.863 520 H ASP 66 H ASP 66 -8.428 -7.439 6.820 521 HA ASP 66 HA ASP 66 -11.231 -7.296 5.984 522 1HB ASP 66 2HB ASP 66 -10.078 -8.548 8.122 523 2HB ASP 66 1HB ASP 66 -10.644 -7.049 8.852 524 H ASP 67 H ASP 67 -8.659 -5.287 7.159 525 HA ASP 67 HA ASP 67 -10.350 -3.170 8.072 526 1HB ASP 67 2HB ASP 67 -7.426 -3.009 7.352 527 2HB ASP 67 1HB ASP 67 -8.330 -1.893 8.368 528 H ILE 68 H ILE 68 -10.654 -1.148 7.194 529 HA ILE 68 HA ILE 68 -10.450 -1.007 4.258 530 HB ILE 68 HB ILE 68 -12.341 0.511 6.052 531 1HG1 ILE 68 2HG1 ILE 68 -12.459 -2.200 5.156 532 2HG1 ILE 68 1HG1 ILE 68 -13.633 -1.314 6.111 533 1HG2 ILE 68 1HG2 ILE 68 -11.907 0.437 3.088 534 2HG2 ILE 68 2HG2 ILE 68 -12.016 1.822 4.167 535 3HG2 ILE 68 3HG2 ILE 68 -13.468 0.906 3.766 536 1HD1 ILE 68 1HD1 ILE 68 -14.518 -2.408 4.045 537 2HD1 ILE 68 2HD1 ILE 68 -13.565 -1.259 3.106 538 3HD1 ILE 68 3HD1 ILE 68 -14.847 -0.679 4.171 539 H ALA 69 H ALA 69 -9.670 0.810 3.299 540 HA ALA 69 HA ALA 69 -8.474 2.816 5.092 541 1HB ALA 69 1HB ALA 69 -7.366 1.897 2.442 542 2HB ALA 69 2HB ALA 69 -6.795 1.348 4.018 543 3HB ALA 69 3HB ALA 69 -6.626 3.043 3.561 544 H TYR 70 H TYR 70 -8.446 4.971 4.355 545 HA TYR 70 HA TYR 70 -10.316 5.531 2.148 546 1HB TYR 70 2HB TYR 70 -11.103 7.478 3.333 547 2HB TYR 70 1HB TYR 70 -11.223 6.091 4.410 548 HD1 TYR 70 1HD TYR 70 -10.061 6.046 6.473 549 HD2 TYR 70 2HD TYR 70 -9.226 9.111 3.644 550 HE1 TYR 70 1HE TYR 70 -8.758 7.251 8.174 551 HE2 TYR 70 2HE TYR 70 -7.918 10.325 5.337 552 HH TYR 70 HH TYR 70 -7.606 10.483 7.660 553 H VAL 71 H VAL 71 -9.763 7.108 0.692 554 HA VAL 71 HA VAL 71 -7.046 7.592 0.229 555 HB VAL 71 HB VAL 71 -9.260 9.322 -0.852 556 1HG1 VAL 71 1HG1 VAL 71 -7.831 9.603 -2.747 557 2HG1 VAL 71 2HG1 VAL 71 -6.703 8.391 -2.142 558 3HG1 VAL 71 3HG1 VAL 71 -6.879 9.929 -1.299 559 1HG2 VAL 71 1HG2 VAL 71 -9.128 6.523 -1.039 560 2HG2 VAL 71 2HG2 VAL 71 -8.591 7.147 -2.596 561 3HG2 VAL 71 3HG2 VAL 71 -10.163 7.616 -1.953 562 H GLY 72 H GLY 72 -5.673 9.230 0.700 563 1HA GLY 72 2HA GLY 72 -5.361 11.604 1.183 564 2HA GLY 72 1HA GLY 72 -6.777 11.509 2.214 565 H LYS 73 H LYS 73 -4.899 8.741 2.651 566 HA LYS 73 HA LYS 73 -3.059 9.915 4.537 567 1HB LYS 73 2HB LYS 73 -5.637 9.028 5.410 568 2HB LYS 73 1HB LYS 73 -4.399 8.000 6.118 569 1HG LYS 73 2HG LYS 73 -3.269 10.347 6.613 570 2HG LYS 73 1HG LYS 73 -4.951 10.877 6.544 571 1HD LYS 73 2HD LYS 73 -4.934 10.307 8.730 572 2HD LYS 73 1HD LYS 73 -5.210 8.686 8.090 573 1HE LYS 73 2HE LYS 73 -3.448 8.466 9.639 574 2HE LYS 73 1HE LYS 73 -2.690 8.424 8.048 575 1HZ LYS 73 1HZ LYS 73 -2.702 11.069 8.723 576 2HZ LYS 73 2HZ LYS 73 -1.374 10.026 8.807 577 3HZ LYS 73 3HZ LYS 73 -2.327 10.291 10.179 578 HA PRO 74 HA PRO 74 -0.981 6.156 3.237 579 1HB PRO 74 2HB PRO 74 1.159 6.828 5.080 580 2HB PRO 74 1HB PRO 74 1.172 6.859 3.316 581 1HG PRO 74 2HG PRO 74 1.291 9.102 4.857 582 2HG PRO 74 1HG PRO 74 0.608 9.072 3.222 583 1HD PRO 74 2HD PRO 74 -0.793 9.055 5.867 584 2HD PRO 74 1HD PRO 74 -1.214 9.901 4.363 585 H LEU 75 H LEU 75 -0.552 4.102 4.110 586 HA LEU 75 HA LEU 75 -1.205 3.841 6.966 587 1HB LEU 75 2HB LEU 75 -2.101 1.563 6.380 588 2HB LEU 75 1HB LEU 75 -3.055 2.933 5.855 589 HG LEU 75 HG LEU 75 -2.901 1.053 4.214 590 1HD1 LEU 75 1HD1 LEU 75 -2.649 3.854 3.779 591 2HD1 LEU 75 2HD1 LEU 75 -3.470 2.646 2.792 592 3HD1 LEU 75 3HD1 LEU 75 -1.763 2.998 2.518 593 1HD2 LEU 75 1HD2 LEU 75 -0.953 0.470 3.134 594 2HD2 LEU 75 2HD2 LEU 75 -0.387 0.735 4.781 595 3HD2 LEU 75 3HD2 LEU 75 -0.141 1.977 3.554 596 H VAL 76 H VAL 76 1.084 3.124 4.499 597 HA VAL 76 HA VAL 76 2.604 1.600 6.497 598 HB VAL 76 HB VAL 76 1.541 -0.081 5.095 599 1HG1 VAL 76 1HG1 VAL 76 2.942 0.250 2.650 600 2HG1 VAL 76 2HG1 VAL 76 2.115 1.763 3.022 601 3HG1 VAL 76 3HG1 VAL 76 1.201 0.257 2.931 602 1HG2 VAL 76 1HG2 VAL 76 4.254 -0.320 4.035 603 2HG2 VAL 76 2HG2 VAL 76 3.369 -1.374 5.136 604 3HG2 VAL 76 3HG2 VAL 76 4.194 0.054 5.757 605 H ASP 77 H ASP 77 4.790 1.777 6.426 606 HA ASP 77 HA ASP 77 5.878 3.771 4.557 607 1HB ASP 77 2HB ASP 77 6.916 2.870 7.256 608 2HB ASP 77 1HB ASP 77 7.695 4.060 6.217 609 H ILE 78 H ILE 78 7.298 3.127 3.073 610 HA ILE 78 HA ILE 78 8.784 0.627 3.465 611 HB ILE 78 HB ILE 78 7.666 1.182 0.758 612 1HG1 ILE 78 2HG1 ILE 78 5.777 -0.503 1.593 613 2HG1 ILE 78 1HG1 ILE 78 6.088 0.301 3.131 614 1HG2 ILE 78 1HG2 ILE 78 9.121 -0.595 0.697 615 2HG2 ILE 78 2HG2 ILE 78 7.571 -1.411 0.905 616 3HG2 ILE 78 3HG2 ILE 78 8.641 -1.183 2.288 617 1HD1 ILE 78 1HD1 ILE 78 4.592 1.214 0.864 618 2HD1 ILE 78 2HD1 ILE 78 5.883 2.352 1.258 619 3HD1 ILE 78 3HD1 ILE 78 4.705 1.891 2.489 620 H GLU 79 H GLU 79 10.764 0.497 2.286 621 HA GLU 79 HA GLU 79 11.704 3.122 1.366 622 1HB GLU 79 2HB GLU 79 13.069 0.656 2.387 623 2HB GLU 79 1HB GLU 79 13.964 1.789 1.384 624 1HG GLU 79 2HG GLU 79 12.819 3.454 3.206 625 2HG GLU 79 1HG GLU 79 13.108 2.005 4.168 626 H THR 80 H THR 80 11.525 3.466 -0.737 627 HA THR 80 HA THR 80 12.409 1.406 -2.610 628 HB THR 80 HB THR 80 10.422 2.132 -4.117 629 HG1 THR 80 1HG THR 80 9.748 3.766 -2.516 630 1HG2 THR 80 1HG2 THR 80 9.051 0.513 -2.243 631 2HG2 THR 80 2HG2 THR 80 10.753 0.057 -2.176 632 3HG2 THR 80 3HG2 THR 80 9.887 0.004 -3.710 633 H GLU 81 H GLU 81 12.933 2.263 -4.741 634 HA GLU 81 HA GLU 81 14.406 4.627 -4.649 635 1HB GLU 81 2HB GLU 81 14.326 2.613 -6.385 636 2HB GLU 81 1HB GLU 81 13.295 3.733 -7.267 637 1HG GLU 81 2HG GLU 81 15.010 5.035 -7.858 638 2HG GLU 81 1HG GLU 81 15.764 4.934 -6.267 639 H ALA 82 H ALA 82 13.807 6.676 -4.626 640 HA ALA 82 HA ALA 82 11.326 7.715 -4.485 641 1HB ALA 82 1HB ALA 82 13.923 8.828 -5.352 642 2HB ALA 82 2HB ALA 82 12.859 9.314 -4.032 643 3HB ALA 82 3HB ALA 82 12.486 9.794 -5.687 644 H LEU 83 H LEU 83 9.607 7.640 -5.738 645 HA LEU 83 HA LEU 83 9.970 7.550 -8.650 646 1HB LEU 83 2HB LEU 83 8.474 5.919 -7.003 647 2HB LEU 83 1HB LEU 83 7.274 6.993 -7.698 648 HG LEU 83 HG LEU 83 7.896 6.323 -9.934 649 1HD1 LEU 83 1HD1 LEU 83 9.590 4.274 -9.936 650 2HD1 LEU 83 2HD1 LEU 83 10.217 5.129 -8.526 651 3HD1 LEU 83 3HD1 LEU 83 10.132 5.945 -10.088 652 1HD2 LEU 83 1HD2 LEU 83 6.416 4.842 -8.407 653 2HD2 LEU 83 2HD2 LEU 83 7.788 3.734 -8.430 654 3HD2 LEU 83 3HD2 LEU 83 6.994 4.183 -9.938 655 H LYS 84 H LYS 84 8.764 8.841 -9.985 656 HA LYS 84 HA LYS 84 8.689 11.369 -9.975 657 1HB LYS 84 2HB LYS 84 7.280 9.624 -11.416 658 2HB LYS 84 1HB LYS 84 5.954 10.426 -10.585 659 1HG LYS 84 2HG LYS 84 6.168 11.646 -12.536 660 2HG LYS 84 1HG LYS 84 7.072 12.609 -11.366 661 1HD LYS 84 2HD LYS 84 8.794 12.530 -12.777 662 2HD LYS 84 1HD LYS 84 8.936 10.815 -12.388 663 1HE LYS 84 2HE LYS 84 8.354 10.265 -14.461 664 2HE LYS 84 1HE LYS 84 6.850 11.172 -14.308 665 1HZ LYS 84 1HZ LYS 84 8.169 11.977 -16.156 666 2HZ LYS 84 2HZ LYS 84 9.476 12.291 -15.130 667 3HZ LYS 84 3HZ LYS 84 8.042 13.174 -14.966 668 H ASP 85 H ASP 85 6.021 9.825 -8.059 669 HA ASP 85 HA ASP 85 5.558 12.529 -6.977 670 1HB ASP 85 2HB ASP 85 3.745 10.138 -7.188 671 2HB ASP 85 1HB ASP 85 3.360 11.521 -6.167 672 H LEU 86 H LEU 86 5.418 9.149 -5.799 673 HA LEU 86 HA LEU 86 6.705 10.071 -3.335 674 1HB LEU 86 2HB LEU 86 4.150 10.009 -3.161 675 2HB LEU 86 1HB LEU 86 4.316 8.263 -3.190 676 HG LEU 86 HG LEU 86 5.610 8.295 -1.150 677 1HD1 LEU 86 1HD1 LEU 86 6.919 10.114 -0.945 678 2HD1 LEU 86 2HD1 LEU 86 5.541 10.749 -0.047 679 3HD1 LEU 86 3HD1 LEU 86 5.757 11.173 -1.746 680 1HD2 LEU 86 1HD2 LEU 86 3.181 8.268 -0.931 681 2HD2 LEU 86 2HD2 LEU 86 3.154 10.031 -0.918 682 3HD2 LEU 86 3HD2 LEU 86 3.924 9.151 0.405 683 H GLU 87 H GLU 87 5.862 7.384 -5.438 684 HA GLU 87 HA GLU 87 8.216 5.991 -5.112 685 1HB GLU 87 2HB GLU 87 7.368 4.075 -3.674 686 2HB GLU 87 1HB GLU 87 7.776 5.566 -2.839 687 1HG GLU 87 2HG GLU 87 5.698 5.854 -2.098 688 2HG GLU 87 1HG GLU 87 4.993 5.466 -3.666
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