NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
496387 | 2l30 | 17157 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 2.495 2.756 18.845 2 H2 MET 1 H2 MET 1 1.838 1.471 18.049 3 H3 MET 1 H3 MET 1 2.896 1.224 19.269 4 HA MET 1 HA MET 1 1.364 2.128 20.881 5 HB2 MET 1 2HB MET 1 -0.534 2.347 18.493 6 HB3 MET 1 3HB MET 1 -0.981 2.580 20.180 7 HG2 MET 1 2HG MET 1 0.917 4.319 18.578 8 HG3 MET 1 3HG MET 1 -0.707 4.715 19.123 9 HE1 MET 1 1HE MET 1 0.058 7.005 20.140 10 HE2 MET 1 2HE MET 1 1.456 7.188 21.221 11 HE3 MET 1 3HE MET 1 1.699 6.673 19.538 12 H ALA 2 H ALA 2 -0.833 0.857 21.507 13 HA ALA 2 HA ALA 2 -0.239 -1.946 21.429 14 HB1 ALA 2 1HB ALA 2 -2.809 -0.482 22.163 15 HB2 ALA 2 2HB ALA 2 -2.431 -2.178 22.529 16 HB3 ALA 2 3HB ALA 2 -1.472 -0.881 23.268 17 H GLU 3 H GLU 3 -0.731 -3.469 20.012 18 HA GLU 3 HA GLU 3 -1.265 -4.471 18.085 19 HB2 GLU 3 2HB GLU 3 -4.043 -3.349 18.605 20 HB3 GLU 3 3HB GLU 3 -3.648 -4.804 17.700 21 HG2 GLU 3 2HG GLU 3 -3.278 -4.389 20.692 22 HG3 GLU 3 3HG GLU 3 -4.505 -5.362 19.904 23 H SER 4 H SER 4 -0.218 -1.832 17.628 24 HA SER 4 HA SER 4 -1.241 -0.486 15.415 25 HB2 SER 4 2HB SER 4 1.546 -1.187 16.343 26 HB3 SER 4 3HB SER 4 1.297 -0.171 14.902 27 HG SER 4 HG SER 4 0.123 1.292 16.169 28 H SER 5 H SER 5 0.278 -3.681 15.367 29 HA SER 5 HA SER 5 0.111 -3.744 12.381 30 HB2 SER 5 2HB SER 5 1.862 -5.478 14.137 31 HB3 SER 5 3HB SER 5 1.870 -5.361 12.363 32 HG SER 5 HG SER 5 3.549 -4.128 13.328 33 H ASP 6 H ASP 6 -2.027 -4.427 14.489 34 HA ASP 6 HA ASP 6 -2.596 -7.166 13.653 35 HB2 ASP 6 2HB ASP 6 -3.010 -6.381 15.977 36 HB3 ASP 6 3HB ASP 6 -4.281 -5.317 15.364 37 H LYS 7 H LYS 7 -2.349 -5.570 11.498 38 HA LYS 7 HA LYS 7 -5.046 -5.501 10.199 39 HB2 LYS 7 2HB LYS 7 -2.638 -3.724 9.592 40 HB3 LYS 7 3HB LYS 7 -4.178 -3.748 8.749 41 HG2 LYS 7 2HG LYS 7 -4.639 -1.990 10.072 42 HG3 LYS 7 3HG LYS 7 -5.167 -3.253 11.186 43 HD2 LYS 7 2HD LYS 7 -2.837 -3.180 12.214 44 HD3 LYS 7 3HD LYS 7 -2.463 -1.825 11.172 45 HE2 LYS 7 2HE LYS 7 -4.742 -1.910 13.215 46 HE3 LYS 7 3HE LYS 7 -3.137 -1.251 13.542 47 HZ1 LYS 7 3HZ LYS 7 -4.671 0.506 12.928 48 HZ2 LYS 7 1HZ LYS 7 -3.491 0.399 11.802 49 HZ3 LYS 7 2HZ LYS 7 -4.997 -0.190 11.487 50 H LEU 8 H LEU 8 -4.580 -5.584 7.757 51 HA LEU 8 HA LEU 8 -2.615 -7.790 7.110 52 HB2 LEU 8 2HB LEU 8 -5.051 -6.787 5.569 53 HB3 LEU 8 3HB LEU 8 -4.077 -8.200 5.178 54 HG LEU 8 HG LEU 8 -5.860 -7.954 7.646 55 HD11 LEU 8 1HD1 LEU 8 -7.098 -7.856 5.537 56 HD12 LEU 8 2HD1 LEU 8 -6.305 -9.349 4.987 57 HD13 LEU 8 3HD1 LEU 8 -7.399 -9.385 6.395 58 HD21 LEU 8 3HD2 LEU 8 -4.422 -10.336 6.399 59 HD22 LEU 8 1HD2 LEU 8 -4.010 -9.555 7.943 60 HD23 LEU 8 2HD2 LEU 8 -5.556 -10.404 7.770 61 H TYR 9 H TYR 9 -3.466 -4.405 6.546 62 HA TYR 9 HA TYR 9 -1.601 -4.369 4.216 63 HB2 TYR 9 2HB TYR 9 -4.356 -3.128 4.252 64 HB3 TYR 9 3HB TYR 9 -3.239 -3.208 2.890 65 HD1 TYR 9 HD1 TYR 9 -2.484 -6.051 2.819 66 HD2 TYR 9 HD2 TYR 9 -6.297 -4.220 3.580 67 HE1 TYR 9 HE1 TYR 9 -3.606 -8.159 2.173 68 HE2 TYR 9 HE2 TYR 9 -7.438 -6.331 2.919 69 HH TYR 9 HH TYR 9 -5.572 -9.251 1.939 70 H ARG 10 H ARG 10 -0.708 -2.372 3.738 71 HA ARG 10 HA ARG 10 -1.142 -0.107 5.584 72 HB2 ARG 10 2HB ARG 10 0.687 -1.047 6.666 73 HB3 ARG 10 3HB ARG 10 1.342 -1.728 5.203 74 HG2 ARG 10 2HG ARG 10 2.877 -0.079 5.942 75 HG3 ARG 10 3HG ARG 10 2.134 0.529 4.481 76 HD2 ARG 10 2HD ARG 10 2.232 2.392 5.942 77 HD3 ARG 10 3HD ARG 10 0.554 1.872 5.974 78 HE ARG 10 HE ARG 10 0.776 1.126 8.205 79 HH11 ARG 10 1HH2 ARG 10 3.831 2.729 7.295 80 HH12 ARG 10 2HH2 ARG 10 4.442 2.459 8.892 81 HH21 ARG 10 1HH1 ARG 10 1.516 1.176 10.115 82 HH22 ARG 10 2HH1 ARG 10 3.163 1.675 10.496 83 H VAL 11 H VAL 11 -0.897 1.896 4.607 84 HA VAL 11 HA VAL 11 0.341 2.120 1.914 85 HB VAL 11 HB VAL 11 -2.182 1.830 1.749 86 HG11 VAL 11 1HG1 VAL 11 -2.301 4.730 2.686 87 HG12 VAL 11 2HG1 VAL 11 -3.647 3.696 2.188 88 HG13 VAL 11 3HG1 VAL 11 -2.761 3.375 3.696 89 HG21 VAL 11 3HG2 VAL 11 -1.061 4.474 0.686 90 HG22 VAL 11 1HG2 VAL 11 -0.744 2.911 -0.049 91 HG23 VAL 11 2HG2 VAL 11 -2.399 3.532 -0.011 92 H GLU 12 H GLU 12 1.412 4.086 1.581 93 HA GLU 12 HA GLU 12 1.043 6.410 3.214 94 HB2 GLU 12 2HB GLU 12 3.214 6.400 4.385 95 HB3 GLU 12 3HB GLU 12 2.165 5.125 4.976 96 HG2 GLU 12 2HG GLU 12 3.395 3.436 3.734 97 HG3 GLU 12 3HG GLU 12 4.396 4.670 2.952 98 H TYR 13 H TYR 13 2.609 8.087 2.743 99 HA TYR 13 HA TYR 13 3.792 7.927 0.072 100 HB2 TYR 13 2HB TYR 13 4.029 10.099 2.168 101 HB3 TYR 13 3HB TYR 13 4.420 10.229 0.457 102 HD1 TYR 13 HD1 TYR 13 2.249 9.214 -1.053 103 HD2 TYR 13 HD2 TYR 13 2.042 11.151 2.788 104 HE1 TYR 13 HE1 TYR 13 0.020 10.160 -1.652 105 HE2 TYR 13 HE2 TYR 13 -0.201 12.071 2.207 106 HH TYR 13 HH TYR 13 -1.655 11.588 -1.035 107 H ALA 14 H ALA 14 5.943 7.803 -0.419 108 HA ALA 14 HA ALA 14 7.705 6.589 1.571 109 HB1 ALA 14 1HB ALA 14 8.031 7.210 -1.386 110 HB2 ALA 14 2HB ALA 14 9.152 6.227 -0.414 111 HB3 ALA 14 3HB ALA 14 7.483 5.679 -0.695 112 H LYS 15 H LYS 15 8.862 7.802 2.936 113 HA LYS 15 HA LYS 15 9.585 10.593 2.455 114 HB2 LYS 15 2HB LYS 15 10.240 8.600 4.670 115 HB3 LYS 15 3HB LYS 15 10.978 10.184 4.592 116 HG2 LYS 15 2HG LYS 15 9.185 10.360 6.108 117 HG3 LYS 15 3HG LYS 15 8.792 11.295 4.674 118 HD2 LYS 15 2HD LYS 15 6.824 10.168 5.529 119 HD3 LYS 15 3HD LYS 15 7.223 9.539 3.935 120 HE2 LYS 15 2HE LYS 15 8.339 7.565 5.046 121 HE3 LYS 15 3HE LYS 15 7.872 8.211 6.621 122 HZ1 LYS 15 3HZ LYS 15 5.918 7.571 4.481 123 HZ2 LYS 15 1HZ LYS 15 6.317 6.489 5.616 124 HZ3 LYS 15 2HZ LYS 15 5.575 7.897 6.058 125 H SER 16 H SER 16 11.243 7.554 1.996 126 HA SER 16 HA SER 16 13.329 8.732 0.436 127 HB2 SER 16 2HB SER 16 14.107 9.046 2.906 128 HB3 SER 16 3HB SER 16 14.415 7.298 2.857 129 HG SER 16 HG SER 16 16.251 8.418 2.136 130 H GLY 17 H GLY 17 14.857 7.018 -0.360 131 HA2 GLY 17 2HA GLY 17 13.278 4.848 -1.428 132 HA3 GLY 17 3HA GLY 17 14.953 5.239 -1.807 133 H ARG 18 H ARG 18 13.860 4.486 1.472 134 HA ARG 18 HA ARG 18 15.923 2.394 1.705 135 HB2 ARG 18 2HB ARG 18 13.930 3.491 3.737 136 HB3 ARG 18 3HB ARG 18 15.259 2.396 4.105 137 HG2 ARG 18 2HG ARG 18 15.556 5.246 3.060 138 HG3 ARG 18 3HG ARG 18 15.786 4.707 4.723 139 HD2 ARG 18 2HD ARG 18 17.656 3.206 3.929 140 HD3 ARG 18 3HD ARG 18 17.453 3.875 2.311 141 HE ARG 18 HE ARG 18 18.447 5.867 2.951 142 HH11 ARG 18 1HH2 ARG 18 17.997 3.964 5.865 143 HH12 ARG 18 2HH2 ARG 18 19.018 5.014 6.809 144 HH21 ARG 18 1HH1 ARG 18 19.730 7.154 4.217 145 HH22 ARG 18 2HH1 ARG 18 19.967 6.769 5.896 146 H ALA 19 H ALA 19 12.571 2.335 1.001 147 HA ALA 19 HA ALA 19 12.302 -0.514 1.797 148 HB1 ALA 19 1HB ALA 19 10.225 1.404 0.691 149 HB2 ALA 19 2HB ALA 19 9.945 -0.245 1.289 150 HB3 ALA 19 3HB ALA 19 10.474 1.017 2.413 151 H SER 20 H SER 20 11.756 -2.135 0.334 152 HA SER 20 HA SER 20 12.329 -1.622 -2.541 153 HB2 SER 20 2HB SER 20 13.470 -3.878 -0.867 154 HB3 SER 20 3HB SER 20 13.582 -3.762 -2.632 155 HG SER 20 HG SER 20 14.858 -1.972 -2.458 156 H CYS 21 HN CYS 21 11.313 -2.984 -4.022 157 HA CYS 21 HA CYS 21 8.650 -3.652 -3.122 158 HB2 CYS 21 2HB CYS 21 9.197 -2.430 -5.198 159 HB3 CYS 21 3HB CYS 21 9.931 -3.903 -5.857 160 H LYS 22 H LYS 22 8.235 -5.468 -2.121 161 HA LYS 22 HA LYS 22 9.668 -7.970 -2.471 162 HB2 LYS 22 2HB LYS 22 6.998 -7.307 -1.129 163 HB3 LYS 22 3HB LYS 22 7.801 -8.858 -0.990 164 HG2 LYS 22 2HG LYS 22 8.872 -6.187 0.024 165 HG3 LYS 22 3HG LYS 22 8.161 -7.463 0.996 166 HD2 LYS 22 2HD LYS 22 10.762 -7.645 -0.554 167 HD3 LYS 22 3HD LYS 22 10.574 -7.436 1.200 168 HE2 LYS 22 2HE LYS 22 9.392 -9.625 1.336 169 HE3 LYS 22 3HE LYS 22 9.644 -9.864 -0.398 170 HZ1 LYS 22 3HZ LYS 22 11.355 -10.990 0.901 171 HZ2 LYS 22 1HZ LYS 22 12.049 -9.815 0.008 172 HZ3 LYS 22 2HZ LYS 22 11.818 -9.597 1.612 173 H LYS 23 H LYS 23 7.377 -6.547 -4.442 174 HA LYS 23 HA LYS 23 6.322 -9.166 -5.419 175 HB2 LYS 23 2HB LYS 23 4.598 -7.641 -4.695 176 HB3 LYS 23 3HB LYS 23 5.228 -6.366 -5.731 177 HG2 LYS 23 2HG LYS 23 3.222 -7.421 -6.693 178 HG3 LYS 23 3HG LYS 23 4.618 -7.586 -7.749 179 HD2 LYS 23 2HD LYS 23 4.908 -9.961 -6.958 180 HD3 LYS 23 3HD LYS 23 3.478 -9.767 -5.938 181 HE2 LYS 23 2HE LYS 23 2.131 -9.275 -7.965 182 HE3 LYS 23 3HE LYS 23 3.572 -9.446 -8.972 183 HZ1 LYS 23 3HZ LYS 23 3.708 -11.773 -8.284 184 HZ2 LYS 23 1HZ LYS 23 2.396 -11.624 -7.319 185 HZ3 LYS 23 2HZ LYS 23 2.240 -11.486 -8.935 186 H CYS 24 HN CYS 24 7.676 -6.119 -6.861 187 HA CYS 24 HA CYS 24 8.317 -7.788 -9.244 188 HB2 CYS 24 2HB CYS 24 8.204 -6.018 -10.662 189 HB3 CYS 24 3HB CYS 24 6.767 -5.934 -9.656 190 H SER 25 H SER 25 9.896 -6.976 -6.581 191 HA SER 25 HA SER 25 12.012 -7.134 -5.913 192 HB2 SER 25 2HB SER 25 12.565 -8.433 -8.587 193 HB3 SER 25 3HB SER 25 13.568 -8.536 -7.131 194 HG SER 25 HG SER 25 12.170 -10.344 -7.349 195 H GLU 26 H GLU 26 11.287 -4.688 -7.560 196 HA GLU 26 HA GLU 26 14.051 -3.595 -7.949 197 HB2 GLU 26 2HB GLU 26 11.363 -2.383 -8.683 198 HB3 GLU 26 3HB GLU 26 12.942 -1.678 -9.009 199 HG2 GLU 26 2HG GLU 26 11.784 -4.202 -10.239 200 HG3 GLU 26 3HG GLU 26 12.052 -2.657 -11.027 201 H SER 27 H SER 27 13.439 -0.896 -7.281 202 HA SER 27 HA SER 27 12.745 -1.047 -4.398 203 HB2 SER 27 2HB SER 27 15.077 0.457 -5.562 204 HB3 SER 27 3HB SER 27 14.428 0.676 -3.917 205 HG SER 27 HG SER 27 16.211 -0.852 -4.103 206 H ILE 28 H ILE 28 12.060 0.946 -3.398 207 HA ILE 28 HA ILE 28 9.976 1.947 -5.204 208 HB ILE 28 HB ILE 28 10.123 2.024 -2.182 209 HG12 ILE 28 2HG1 ILE 28 8.653 0.068 -4.020 210 HG13 ILE 28 3HG1 ILE 28 10.109 -0.305 -3.098 211 HG21 ILE 28 1HG2 ILE 28 7.716 2.495 -2.299 212 HG22 ILE 28 2HG2 ILE 28 8.573 3.741 -3.183 213 HG23 ILE 28 3HG2 ILE 28 7.743 2.444 -4.069 214 HD11 ILE 28 3HD1 ILE 28 8.851 0.251 -0.983 215 HD12 ILE 28 1HD1 ILE 28 7.367 0.261 -1.966 216 HD13 ILE 28 2HD1 ILE 28 8.355 -1.207 -1.853 217 HA PRO 29 HA PRO 29 11.980 5.981 -5.295 218 HB2 PRO 29 2HB PRO 29 9.966 7.471 -6.465 219 HB3 PRO 29 3HB PRO 29 11.084 6.401 -7.345 220 HG2 PRO 29 2HG PRO 29 8.281 5.802 -6.387 221 HG3 PRO 29 3HG PRO 29 9.032 5.429 -7.973 222 HD2 PRO 29 2HD PRO 29 8.794 3.575 -6.006 223 HD3 PRO 29 3HD PRO 29 10.216 3.603 -7.095 224 H LYS 30 H LYS 30 11.901 7.982 -4.301 225 HA LYS 30 HA LYS 30 10.045 8.202 -1.975 226 HB2 LYS 30 2HB LYS 30 11.562 9.719 -0.987 227 HB3 LYS 30 3HB LYS 30 12.439 8.289 -1.551 228 HG2 LYS 30 2HG LYS 30 13.116 9.610 -3.596 229 HG3 LYS 30 3HG LYS 30 12.421 11.047 -2.825 230 HD2 LYS 30 2HD LYS 30 14.632 9.315 -1.627 231 HD3 LYS 30 3HD LYS 30 14.928 10.771 -2.577 232 HE2 LYS 30 2HE LYS 30 13.861 12.195 -0.963 233 HE3 LYS 30 3HE LYS 30 13.203 10.825 -0.072 234 HZ1 LYS 30 3HZ LYS 30 15.170 11.722 1.020 235 HZ2 LYS 30 1HZ LYS 30 15.464 10.186 0.554 236 HZ3 LYS 30 2HZ LYS 30 16.101 11.440 -0.291 237 H ASP 31 H ASP 31 9.141 10.263 -1.413 238 HA ASP 31 HA ASP 31 7.441 11.651 -1.839 239 HB2 ASP 31 2HB ASP 31 9.317 13.133 -2.491 240 HB3 ASP 31 3HB ASP 31 9.074 12.680 -4.176 241 H SER 32 H SER 32 7.006 9.133 -2.610 242 HA SER 32 HA SER 32 5.001 9.345 -4.779 243 HB2 SER 32 2HB SER 32 7.163 8.382 -5.715 244 HB3 SER 32 3HB SER 32 6.949 7.022 -4.593 245 HG SER 32 HG SER 32 5.779 6.269 -6.203 246 H LEU 33 H LEU 33 3.777 7.055 -4.733 247 HA LEU 33 HA LEU 33 2.885 6.716 -1.912 248 HB2 LEU 33 2HB LEU 33 1.262 7.662 -3.574 249 HB3 LEU 33 3HB LEU 33 1.431 6.191 -4.532 250 HG LEU 33 HG LEU 33 0.552 4.883 -2.553 251 HD11 LEU 33 1HD1 LEU 33 0.984 6.511 -0.736 252 HD12 LEU 33 2HD1 LEU 33 -0.121 7.669 -1.501 253 HD13 LEU 33 3HD1 LEU 33 -0.738 6.145 -0.848 254 HD21 LEU 33 3HD2 LEU 33 -0.885 5.553 -4.456 255 HD22 LEU 33 1HD2 LEU 33 -1.785 5.514 -2.931 256 HD23 LEU 33 2HD2 LEU 33 -1.271 7.075 -3.618 257 H ARG 34 H ARG 34 2.872 4.729 -0.957 258 HA ARG 34 HA ARG 34 3.504 2.300 -2.534 259 HB2 ARG 34 2HB ARG 34 5.297 1.639 -1.068 260 HB3 ARG 34 3HB ARG 34 5.655 3.191 -1.824 261 HG2 ARG 34 2HG ARG 34 5.146 4.379 0.266 262 HG3 ARG 34 3HG ARG 34 4.671 2.853 1.046 263 HD2 ARG 34 2HD ARG 34 6.966 1.975 0.713 264 HD3 ARG 34 3HD ARG 34 7.423 3.481 -0.093 265 HE ARG 34 HE ARG 34 6.376 3.705 2.674 266 HH11 ARG 34 1HH2 ARG 34 9.298 3.657 0.731 267 HH12 ARG 34 2HH2 ARG 34 10.261 4.311 2.024 268 HH21 ARG 34 1HH1 ARG 34 7.600 4.503 4.230 269 HH22 ARG 34 2HH1 ARG 34 9.342 4.638 4.035 270 H MET 35 H MET 35 3.188 0.355 -1.414 271 HA MET 35 HA MET 35 1.337 0.401 0.884 272 HB2 MET 35 2HB MET 35 0.877 -1.042 -1.753 273 HB3 MET 35 3HB MET 35 0.087 -1.507 -0.234 274 HG2 MET 35 2HG MET 35 -0.859 0.745 -0.012 275 HG3 MET 35 3HG MET 35 -0.142 1.196 -1.564 276 HE1 MET 35 3HE MET 35 -3.380 -0.042 0.178 277 HE2 MET 35 1HE MET 35 -3.921 -1.388 -0.852 278 HE3 MET 35 2HE MET 35 -2.434 -1.539 0.128 279 H ALA 36 H ALA 36 1.144 -1.660 1.938 280 HA ALA 36 HA ALA 36 3.310 -3.580 1.508 281 HB1 ALA 36 1HB ALA 36 4.481 -2.058 2.901 282 HB2 ALA 36 2HB ALA 36 3.116 -1.827 3.974 283 HB3 ALA 36 3HB ALA 36 3.991 -3.383 3.963 284 H ILE 37 H ILE 37 3.113 -5.492 2.895 285 HA ILE 37 HA ILE 37 0.324 -5.953 3.853 286 HB ILE 37 HB ILE 37 1.834 -7.334 1.817 287 HG12 ILE 37 2HG1 ILE 37 -0.941 -7.869 2.977 288 HG13 ILE 37 3HG1 ILE 37 -0.560 -6.582 1.827 289 HG21 ILE 37 1HG2 ILE 37 0.900 -9.196 4.024 290 HG22 ILE 37 2HG2 ILE 37 1.597 -9.618 2.412 291 HG23 ILE 37 3HG2 ILE 37 2.611 -8.846 3.609 292 HD11 ILE 37 3HD1 ILE 37 -1.405 -8.343 0.512 293 HD12 ILE 37 1HD1 ILE 37 0.368 -8.404 0.296 294 HD13 ILE 37 2HD1 ILE 37 -0.437 -9.569 1.369 295 H MET 38 H MET 38 -0.005 -7.028 5.715 296 HA MET 38 HA MET 38 2.296 -7.072 7.571 297 HB2 MET 38 2HB MET 38 -0.667 -7.399 8.076 298 HB3 MET 38 3HB MET 38 0.550 -7.165 9.324 299 HG2 MET 38 2HG MET 38 0.076 -5.032 7.220 300 HG3 MET 38 3HG MET 38 -1.015 -5.219 8.574 301 HE1 MET 38 3HE MET 38 2.992 -5.722 8.974 302 HE2 MET 38 1HE MET 38 2.582 -4.800 7.510 303 HE3 MET 38 2HE MET 38 3.401 -3.996 8.884 304 H VAL 39 H VAL 39 3.433 -8.872 7.506 305 HA VAL 39 HA VAL 39 1.960 -11.485 7.753 306 HB VAL 39 HB VAL 39 3.046 -11.304 5.601 307 HG11 VAL 39 1HG1 VAL 39 5.689 -11.104 7.103 308 HG12 VAL 39 2HG1 VAL 39 5.462 -11.311 5.355 309 HG13 VAL 39 3HG1 VAL 39 4.937 -9.815 6.139 310 HG21 VAL 39 3HG2 VAL 39 4.183 -13.401 5.560 311 HG22 VAL 39 1HG2 VAL 39 4.497 -13.348 7.299 312 HG23 VAL 39 2HG2 VAL 39 2.829 -13.514 6.692 313 H GLN 40 H GLN 40 2.631 -12.985 9.214 314 HA GLN 40 HA GLN 40 4.090 -12.085 11.559 315 HB2 GLN 40 2HB GLN 40 3.826 -14.501 12.242 316 HB3 GLN 40 3HB GLN 40 2.346 -13.575 11.987 317 HG2 GLN 40 2HG GLN 40 1.984 -14.625 9.799 318 HG3 GLN 40 3HG GLN 40 3.512 -15.491 9.919 319 HE21 GLN 40 2HE2 GLN 40 1.610 -17.195 9.420 320 HE22 GLN 40 1HE2 GLN 40 1.021 -18.000 10.868 321 H SER 41 H SER 41 6.218 -12.126 11.929 322 HA SER 41 HA SER 41 7.931 -12.926 9.727 323 HB2 SER 41 2HB SER 41 8.200 -10.783 10.802 324 HB3 SER 41 3HB SER 41 8.599 -11.575 12.333 325 HG SER 41 HG SER 41 10.339 -10.890 10.630 326 HA PRO 42 HA PRO 42 9.658 -16.568 11.626 327 HB2 PRO 42 2HB PRO 42 11.717 -16.243 9.455 328 HB3 PRO 42 3HB PRO 42 10.812 -17.708 9.934 329 HG2 PRO 42 2HG PRO 42 10.137 -16.328 7.688 330 HG3 PRO 42 3HG PRO 42 8.864 -16.984 8.772 331 HD2 PRO 42 2HD PRO 42 9.948 -14.147 8.666 332 HD3 PRO 42 3HD PRO 42 8.252 -14.719 8.726 333 H MET 43 H MET 43 11.139 -13.472 11.152 334 HA MET 43 HA MET 43 13.574 -14.157 12.751 335 HB2 MET 43 2HB MET 43 13.047 -12.017 10.686 336 HB3 MET 43 3HB MET 43 14.505 -12.080 11.668 337 HG2 MET 43 2HG MET 43 15.390 -13.876 10.597 338 HG3 MET 43 3HG MET 43 13.838 -14.632 10.274 339 HE1 MET 43 3HE MET 43 12.395 -14.363 8.258 340 HE2 MET 43 1HE MET 43 12.071 -12.712 8.814 341 HE3 MET 43 2HE MET 43 12.489 -13.007 7.108 342 H PHE 44 H PHE 44 10.715 -12.165 12.783 343 HA PHE 44 HA PHE 44 11.669 -10.668 15.190 344 HB2 PHE 44 2HB PHE 44 11.492 -9.198 13.271 345 HB3 PHE 44 3HB PHE 44 9.867 -9.762 12.924 346 HD1 PHE 44 HD1 PHE 44 11.906 -7.956 15.500 347 HD2 PHE 44 HD2 PHE 44 7.967 -8.737 13.922 348 HE1 PHE 44 HE1 PHE 44 10.959 -6.195 16.978 349 HE2 PHE 44 HE2 PHE 44 7.028 -6.969 15.391 350 HZ PHE 44 HZ PHE 44 8.521 -5.702 16.926 351 H ASP 45 H ASP 45 10.073 -10.109 16.747 352 HA ASP 45 HA ASP 45 8.328 -12.414 17.293 353 HB2 ASP 45 2HB ASP 45 10.045 -11.659 18.906 354 HB3 ASP 45 3HB ASP 45 9.198 -10.122 19.082 355 H GLY 46 H GLY 46 7.072 -11.244 15.304 356 HA2 GLY 46 2HA GLY 46 4.492 -10.592 16.055 357 HA3 GLY 46 3HA GLY 46 5.343 -9.045 16.017 358 H LYS 47 H LYS 47 3.956 -8.407 14.371 359 HA LYS 47 HA LYS 47 4.060 -9.716 11.716 360 HB2 LYS 47 2HB LYS 47 2.322 -7.531 12.901 361 HB3 LYS 47 3HB LYS 47 2.146 -8.133 11.264 362 HG2 LYS 47 2HG LYS 47 2.039 -10.128 13.555 363 HG3 LYS 47 3HG LYS 47 0.696 -9.015 13.385 364 HD2 LYS 47 2HD LYS 47 1.672 -10.989 11.297 365 HD3 LYS 47 3HD LYS 47 0.240 -11.162 12.301 366 HE2 LYS 47 2HE LYS 47 0.703 -9.079 10.134 367 HE3 LYS 47 3HE LYS 47 -0.348 -10.487 10.020 368 HZ1 LYS 47 3HZ LYS 47 -1.656 -8.520 10.526 369 HZ2 LYS 47 1HZ LYS 47 -1.705 -9.513 11.827 370 HZ3 LYS 47 2HZ LYS 47 -0.763 -8.161 11.840 371 H VAL 48 H VAL 48 4.951 -8.777 9.956 372 HA VAL 48 HA VAL 48 6.279 -6.126 10.259 373 HB VAL 48 HB VAL 48 8.187 -6.972 8.981 374 HG11 VAL 48 1HG1 VAL 48 7.656 -8.615 11.495 375 HG12 VAL 48 2HG1 VAL 48 9.238 -8.229 10.793 376 HG13 VAL 48 3HG1 VAL 48 8.232 -6.938 11.465 377 HG21 VAL 48 3HG2 VAL 48 8.595 -9.376 8.708 378 HG22 VAL 48 1HG2 VAL 48 6.952 -9.734 9.275 379 HG23 VAL 48 2HG2 VAL 48 7.202 -8.850 7.758 380 HA PRO 49 HA PRO 49 4.390 -5.283 6.361 381 HB2 PRO 49 2HB PRO 49 5.633 -2.971 5.592 382 HB3 PRO 49 3HB PRO 49 4.549 -3.060 7.011 383 HG2 PRO 49 2HG PRO 49 7.579 -3.196 6.951 384 HG3 PRO 49 3HG PRO 49 6.535 -2.220 8.029 385 HD2 PRO 49 2HD PRO 49 7.608 -4.639 8.766 386 HD3 PRO 49 3HD PRO 49 6.018 -4.072 9.357 387 H HIS 50 H HIS 50 4.590 -6.225 4.352 388 HA HIS 50 HA HIS 50 7.292 -6.392 3.069 389 HB2 HIS 50 2HB HIS 50 4.663 -7.842 2.689 390 HB3 HIS 50 3HB HIS 50 5.856 -7.789 1.399 391 HD2 HIS 50 HD2 HIS 50 6.975 -8.071 5.061 392 HE1 HIS 50 HE1 HIS 50 7.813 -11.825 3.222 393 HE2 HIS 50 HE2 HIS 50 8.179 -10.414 5.309 394 H TRP 51 H TRP 51 7.779 -4.419 2.244 395 HA TRP 51 HA TRP 51 5.762 -2.645 1.243 396 HB2 TRP 51 2HB TRP 51 8.803 -2.610 1.071 397 HB3 TRP 51 3HB TRP 51 7.746 -1.280 0.606 398 HD1 TRP 51 HD1 TRP 51 9.449 -2.709 3.601 399 HE1 TRP 51 HE1 TRP 51 8.751 -1.445 5.724 400 HE3 TRP 51 HE3 TRP 51 5.603 0.047 1.655 401 HZ2 TRP 51 HZ2 TRP 51 6.610 0.333 6.529 402 HZ3 TRP 51 HZ3 TRP 51 4.193 1.448 3.133 403 HH2 TRP 51 HH2 TRP 51 4.680 1.575 5.572 404 H TYR 52 H TYR 52 5.288 -1.980 -0.804 405 HA TYR 52 HA TYR 52 6.916 -2.570 -3.107 406 HB2 TYR 52 2HB TYR 52 4.945 -3.768 -4.293 407 HB3 TYR 52 3HB TYR 52 6.033 -4.672 -3.280 408 HD1 TYR 52 HD1 TYR 52 2.865 -2.703 -2.813 409 HD2 TYR 52 HD2 TYR 52 5.065 -6.310 -1.935 410 HE1 TYR 52 HE1 TYR 52 1.003 -3.523 -1.439 411 HE2 TYR 52 HE2 TYR 52 3.124 -7.168 -0.575 412 HH TYR 52 HH TYR 52 0.115 -5.257 -0.252 413 H HIS 53 H HIS 53 5.943 -1.683 -5.091 414 HA HIS 53 HA HIS 53 5.110 1.019 -4.824 415 HB2 HIS 53 2HB HIS 53 4.629 -0.816 -7.208 416 HB3 HIS 53 3HB HIS 53 4.678 0.927 -7.231 417 HD2 HIS 53 HD2 HIS 53 7.072 2.137 -6.745 418 HE1 HIS 53 HE1 HIS 53 9.482 -1.165 -7.938 419 HE2 HIS 53 HE2 HIS 53 9.489 1.314 -7.441 420 H PHE 54 H PHE 54 3.028 2.080 -5.341 421 HA PHE 54 HA PHE 54 0.792 0.990 -4.034 422 HB2 PHE 54 2HB PHE 54 0.847 3.322 -4.396 423 HB3 PHE 54 3HB PHE 54 1.055 3.146 -6.135 424 HD1 PHE 54 HD2 PHE 54 -1.458 2.211 -3.443 425 HD2 PHE 54 HD1 PHE 54 -0.809 3.475 -7.520 426 HE1 PHE 54 HE2 PHE 54 -3.905 2.200 -3.846 427 HE2 PHE 54 HE1 PHE 54 -3.271 3.525 -7.879 428 HZ PHE 54 HZ PHE 54 -4.805 2.833 -6.064 429 H SER 55 H SER 55 1.606 0.706 -7.546 430 HA SER 55 HA SER 55 -0.901 -0.572 -8.251 431 HB2 SER 55 2HB SER 55 0.217 -0.980 -10.411 432 HB3 SER 55 3HB SER 55 0.262 0.715 -9.898 433 HG SER 55 HG SER 55 2.290 0.103 -10.634 434 H CYS 56 HN CYS 56 2.244 -1.672 -7.112 435 HA CYS 56 HA CYS 56 2.010 -4.358 -7.945 436 HB2 CYS 56 2HB CYS 56 3.749 -2.958 -5.920 437 HB3 CYS 56 3HB CYS 56 3.892 -4.684 -6.270 438 H PHE 57 H PHE 57 0.732 -2.778 -5.024 439 HA PHE 57 HA PHE 57 0.055 -5.067 -3.470 440 HB2 PHE 57 2HB PHE 57 -0.429 -2.658 -2.856 441 HB3 PHE 57 3HB PHE 57 -1.712 -2.636 -4.039 442 HD1 PHE 57 HD2 PHE 57 -3.703 -4.275 -3.760 443 HD2 PHE 57 HD1 PHE 57 -0.873 -3.472 -0.611 444 HE1 PHE 57 HE2 PHE 57 -5.236 -5.275 -2.108 445 HE2 PHE 57 HE1 PHE 57 -2.396 -4.468 1.022 446 HZ PHE 57 HZ PHE 57 -4.597 -5.367 0.293 447 H TRP 58 H TRP 58 -1.716 -3.583 -6.182 448 HA TRP 58 HA TRP 58 -3.773 -5.580 -6.240 449 HB2 TRP 58 2HB TRP 58 -3.083 -3.581 -8.375 450 HB3 TRP 58 3HB TRP 58 -4.639 -4.316 -8.035 451 HD1 TRP 58 HD1 TRP 58 -2.517 -1.404 -7.259 452 HE1 TRP 58 HE1 TRP 58 -3.335 0.028 -5.316 453 HE3 TRP 58 HE3 TRP 58 -6.304 -4.436 -5.575 454 HZ2 TRP 58 HZ2 TRP 58 -5.445 -0.092 -3.290 455 HZ3 TRP 58 HZ3 TRP 58 -7.669 -3.743 -3.636 456 HH2 TRP 58 HH2 TRP 58 -7.222 -1.565 -2.500 457 H LYS 59 H LYS 59 -0.583 -5.621 -7.491 458 HA LYS 59 HA LYS 59 -1.054 -7.787 -9.453 459 HB2 LYS 59 2HB LYS 59 1.540 -6.679 -8.353 460 HB3 LYS 59 3HB LYS 59 1.390 -7.872 -9.644 461 HG2 LYS 59 2HG LYS 59 0.319 -6.289 -11.125 462 HG3 LYS 59 3HG LYS 59 0.143 -5.118 -9.822 463 HD2 LYS 59 2HD LYS 59 2.806 -5.323 -9.682 464 HD3 LYS 59 3HD LYS 59 2.634 -5.868 -11.358 465 HE2 LYS 59 2HE LYS 59 1.586 -3.844 -12.021 466 HE3 LYS 59 3HE LYS 59 1.141 -3.433 -10.360 467 HZ1 LYS 59 3HZ LYS 59 3.905 -3.370 -11.420 468 HZ2 LYS 59 1HZ LYS 59 2.959 -2.065 -11.103 469 HZ3 LYS 59 2HZ LYS 59 3.483 -3.031 -9.872 470 H VAL 60 H VAL 60 -0.013 -7.432 -6.049 471 HA VAL 60 HA VAL 60 0.326 -10.292 -5.568 472 HB VAL 60 HB VAL 60 -0.435 -8.090 -3.600 473 HG11 VAL 60 1HG1 VAL 60 0.569 -10.921 -3.113 474 HG12 VAL 60 2HG1 VAL 60 0.428 -9.652 -1.876 475 HG13 VAL 60 3HG1 VAL 60 -1.021 -10.263 -2.666 476 HG21 VAL 60 3HG2 VAL 60 2.279 -9.378 -4.075 477 HG22 VAL 60 1HG2 VAL 60 1.826 -7.757 -4.651 478 HG23 VAL 60 2HG2 VAL 60 1.890 -8.090 -2.923 479 H GLY 61 H GLY 61 -2.433 -8.078 -5.671 480 HA2 GLY 61 2HA GLY 61 -4.466 -8.621 -6.630 481 HA3 GLY 61 3HA GLY 61 -4.030 -10.328 -6.605 482 H HIS 62 H HIS 62 -3.883 -8.671 -3.549 483 HA HIS 62 HA HIS 62 -6.113 -10.198 -2.425 484 HB2 HIS 62 2HB HIS 62 -4.265 -8.043 -1.347 485 HB3 HIS 62 3HB HIS 62 -5.659 -8.615 -0.448 486 HD2 HIS 62 HD2 HIS 62 -3.306 -11.034 -2.417 487 HE1 HIS 62 HE1 HIS 62 -2.819 -11.840 1.739 488 HE2 HIS 62 HE2 HIS 62 -2.188 -12.584 -0.614 489 H SER 63 H SER 63 -8.128 -9.481 -1.821 490 HA SER 63 HA SER 63 -9.132 -6.915 -2.918 491 HB2 SER 63 2HB SER 63 -11.321 -7.681 -2.263 492 HB3 SER 63 3HB SER 63 -10.510 -8.950 -3.193 493 HG SER 63 HG SER 63 -11.472 -9.881 -1.409 494 H ILE 64 H ILE 64 -10.264 -5.434 -1.646 495 HA ILE 64 HA ILE 64 -9.697 -5.404 1.268 496 HB ILE 64 HB ILE 64 -9.323 -2.980 -0.494 497 HG12 ILE 64 2HG1 ILE 64 -7.136 -4.797 0.553 498 HG13 ILE 64 3HG1 ILE 64 -7.499 -4.373 -1.123 499 HG21 ILE 64 1HG2 ILE 64 -10.003 -2.627 1.911 500 HG22 ILE 64 2HG2 ILE 64 -8.566 -3.538 2.419 501 HG23 ILE 64 3HG2 ILE 64 -8.384 -1.993 1.575 502 HD11 ILE 64 3HD1 ILE 64 -7.039 -1.896 -0.316 503 HD12 ILE 64 1HD1 ILE 64 -6.153 -2.727 0.988 504 HD13 ILE 64 2HD1 ILE 64 -5.703 -2.974 -0.703 505 H ARG 65 H ARG 65 -11.477 -4.927 2.361 506 HA ARG 65 HA ARG 65 -13.955 -4.195 0.816 507 HB2 ARG 65 2HB ARG 65 -15.089 -5.905 2.370 508 HB3 ARG 65 3HB ARG 65 -14.222 -6.470 0.960 509 HG2 ARG 65 2HG ARG 65 -12.811 -6.391 3.634 510 HG3 ARG 65 3HG ARG 65 -13.944 -7.679 3.293 511 HD2 ARG 65 2HD ARG 65 -12.585 -8.729 1.802 512 HD3 ARG 65 3HD ARG 65 -11.963 -7.229 1.112 513 HE ARG 65 HE ARG 65 -10.842 -7.241 3.632 514 HH11 ARG 65 1HH2 ARG 65 -10.462 -9.384 0.829 515 HH12 ARG 65 2HH2 ARG 65 -8.942 -9.934 1.454 516 HH21 ARG 65 1HH1 ARG 65 -9.007 -7.864 4.173 517 HH22 ARG 65 2HH1 ARG 65 -8.004 -8.887 3.146 518 H HIS 66 H HIS 66 -12.146 -3.629 3.677 519 HA HIS 66 HA HIS 66 -13.901 -1.316 4.131 520 HB2 HIS 66 2HB HIS 66 -13.841 -1.522 6.575 521 HB3 HIS 66 3HB HIS 66 -14.892 -2.637 5.734 522 HD2 HIS 66 HD2 HIS 66 -12.946 -5.103 5.234 523 HE1 HIS 66 HE1 HIS 66 -12.685 -5.245 9.455 524 HE2 HIS 66 HE2 HIS 66 -12.342 -6.562 7.318 525 HA PRO 67 HA PRO 67 -9.434 -0.958 3.445 526 HB2 PRO 67 2HB PRO 67 -9.411 1.423 1.950 527 HB3 PRO 67 3HB PRO 67 -9.689 -0.200 1.266 528 HG2 PRO 67 2HG PRO 67 -11.757 1.804 2.175 529 HG3 PRO 67 3HG PRO 67 -11.705 0.885 0.628 530 HD2 PRO 67 2HD PRO 67 -13.256 0.057 2.637 531 HD3 PRO 67 3HD PRO 67 -12.265 -1.151 1.758 532 H ASP 68 H ASP 68 -11.366 1.791 4.684 533 HA ASP 68 HA ASP 68 -9.019 3.090 5.799 534 HB2 ASP 68 2HB ASP 68 -10.683 4.569 6.922 535 HB3 ASP 68 3HB ASP 68 -10.810 4.489 5.171 536 H VAL 69 H VAL 69 -10.618 0.307 6.710 537 HA VAL 69 HA VAL 69 -9.705 0.475 9.532 538 HB VAL 69 HB VAL 69 -11.281 -1.770 8.248 539 HG11 VAL 69 1HG1 VAL 69 -10.880 -0.963 11.156 540 HG12 VAL 69 2HG1 VAL 69 -11.895 -2.303 10.574 541 HG13 VAL 69 3HG1 VAL 69 -10.148 -2.367 10.342 542 HG21 VAL 69 3HG2 VAL 69 -13.302 -0.828 9.342 543 HG22 VAL 69 1HG2 VAL 69 -12.379 0.641 9.748 544 HG23 VAL 69 2HG2 VAL 69 -12.692 0.202 8.050 545 H GLU 70 H GLU 70 -9.429 -1.491 6.560 546 HA GLU 70 HA GLU 70 -7.467 -3.312 7.761 547 HB2 GLU 70 2HB GLU 70 -8.451 -3.048 4.876 548 HB3 GLU 70 3HB GLU 70 -7.514 -4.395 5.532 549 HG2 GLU 70 2HG GLU 70 -9.365 -4.993 7.032 550 HG3 GLU 70 3HG GLU 70 -10.332 -3.663 6.395 551 H VAL 71 H VAL 71 -7.257 -0.580 5.554 552 HA VAL 71 HA VAL 71 -4.329 -0.982 5.075 553 HB VAL 71 HB VAL 71 -6.066 1.195 3.941 554 HG11 VAL 71 1HG1 VAL 71 -4.185 1.334 2.442 555 HG12 VAL 71 2HG1 VAL 71 -3.581 1.446 4.121 556 HG13 VAL 71 3HG1 VAL 71 -3.384 -0.064 3.210 557 HG21 VAL 71 3HG2 VAL 71 -5.302 -1.549 2.829 558 HG22 VAL 71 1HG2 VAL 71 -6.949 -0.973 3.138 559 HG23 VAL 71 2HG2 VAL 71 -5.985 -0.213 1.864 560 H ASP 72 H ASP 72 -3.440 -0.699 6.938 561 HA ASP 72 HA ASP 72 -3.781 1.516 8.731 562 HB2 ASP 72 2HB ASP 72 -2.782 -0.704 9.207 563 HB3 ASP 72 3HB ASP 72 -1.414 -0.313 8.161 564 H GLY 73 H GLY 73 -2.672 3.480 8.814 565 HA2 GLY 73 2HA GLY 73 -1.216 5.206 8.200 566 HA3 GLY 73 3HA GLY 73 -0.580 4.211 6.892 567 H PHE 74 H PHE 74 -3.677 3.903 6.169 568 HA PHE 74 HA PHE 74 -4.007 5.764 4.078 569 HB2 PHE 74 2HB PHE 74 -5.317 3.700 4.459 570 HB3 PHE 74 3HB PHE 74 -6.012 4.386 5.924 571 HD1 PHE 74 HD2 PHE 74 -6.054 4.459 2.225 572 HD2 PHE 74 HD1 PHE 74 -7.844 5.983 5.844 573 HE1 PHE 74 HE2 PHE 74 -7.996 5.305 0.922 574 HE2 PHE 74 HE1 PHE 74 -9.775 6.836 4.523 575 HZ PHE 74 HZ PHE 74 -9.833 6.515 2.069 576 H SER 75 H SER 75 -4.714 6.202 7.534 577 HA SER 75 HA SER 75 -6.171 8.631 7.419 578 HB2 SER 75 2HB SER 75 -4.232 7.660 9.549 579 HB3 SER 75 3HB SER 75 -5.504 8.883 9.763 580 HG SER 75 HG SER 75 -6.188 6.811 10.472 581 H GLU 76 H GLU 76 -2.764 8.119 6.796 582 HA GLU 76 HA GLU 76 -2.017 10.934 7.297 583 HB2 GLU 76 2HB GLU 76 -0.372 8.639 6.188 584 HB3 GLU 76 3HB GLU 76 0.228 10.211 6.695 585 HG2 GLU 76 2HG GLU 76 -1.055 8.119 8.505 586 HG3 GLU 76 3HG GLU 76 0.660 8.482 8.388 587 H LEU 77 H LEU 77 -3.204 9.050 4.647 588 HA LEU 77 HA LEU 77 -1.974 10.517 2.466 589 HB2 LEU 77 2HB LEU 77 -4.306 8.606 2.701 590 HB3 LEU 77 3HB LEU 77 -4.029 9.503 1.226 591 HG LEU 77 HG LEU 77 -1.923 8.467 0.826 592 HD11 LEU 77 1HD1 LEU 77 -2.205 7.032 3.476 593 HD12 LEU 77 2HD1 LEU 77 -1.027 6.643 2.201 594 HD13 LEU 77 3HD1 LEU 77 -0.951 8.204 3.019 595 HD21 LEU 77 3HD2 LEU 77 -3.988 6.408 1.699 596 HD22 LEU 77 1HD2 LEU 77 -4.011 7.303 0.168 597 HD23 LEU 77 2HD2 LEU 77 -2.700 6.168 0.500 598 H ARG 78 H ARG 78 -2.857 12.085 1.150 599 HA ARG 78 HA ARG 78 -4.963 13.827 2.302 600 HB2 ARG 78 2HB ARG 78 -3.258 14.099 -0.223 601 HB3 ARG 78 3HB ARG 78 -4.443 15.286 0.318 602 HG2 ARG 78 2HG ARG 78 -1.887 14.483 1.769 603 HG3 ARG 78 3HG ARG 78 -2.256 16.030 1.000 604 HD2 ARG 78 2HD ARG 78 -4.172 16.310 2.629 605 HD3 ARG 78 3HD ARG 78 -3.638 14.865 3.469 606 HE ARG 78 HE ARG 78 -2.367 17.510 3.514 607 HH11 ARG 78 1HH2 ARG 78 -1.814 14.112 4.290 608 HH12 ARG 78 2HH2 ARG 78 -0.509 14.496 5.364 609 HH21 ARG 78 1HH1 ARG 78 -0.697 17.896 4.911 610 HH22 ARG 78 2HH1 ARG 78 0.100 16.574 5.710 611 H TRP 79 H TRP 79 -6.647 14.664 0.948 612 HA TRP 79 HA TRP 79 -8.379 12.566 0.845 613 HB2 TRP 79 2HB TRP 79 -9.713 14.305 1.128 614 HB3 TRP 79 3HB TRP 79 -8.532 15.418 0.479 615 HD1 TRP 79 HD1 TRP 79 -11.778 13.731 -0.380 616 HE1 TRP 79 HE1 TRP 79 -12.664 14.617 -2.626 617 HE3 TRP 79 HE3 TRP 79 -7.628 16.291 -1.925 618 HZ2 TRP 79 HZ2 TRP 79 -11.679 16.220 -4.826 619 HZ3 TRP 79 HZ3 TRP 79 -7.616 17.486 -4.095 620 HH2 TRP 79 HH2 TRP 79 -9.635 17.462 -5.557 621 H ASP 80 H ASP 80 -6.815 14.051 -2.003 622 HA ASP 80 HA ASP 80 -8.237 12.646 -4.006 623 HB2 ASP 80 2HB ASP 80 -6.835 14.667 -4.350 624 HB3 ASP 80 3HB ASP 80 -5.387 13.711 -4.041 625 H ASP 81 H ASP 81 -5.673 11.505 -1.931 626 HA ASP 81 HA ASP 81 -5.017 9.172 -3.647 627 HB2 ASP 81 2HB ASP 81 -3.762 10.253 -1.104 628 HB3 ASP 81 3HB ASP 81 -3.377 8.674 -1.789 629 H GLN 82 H GLN 82 -6.478 10.048 -0.482 630 HA GLN 82 HA GLN 82 -7.226 7.418 0.324 631 HB2 GLN 82 2HB GLN 82 -8.472 10.163 0.766 632 HB3 GLN 82 3HB GLN 82 -9.154 8.697 1.466 633 HG2 GLN 82 2HG GLN 82 -6.989 8.214 2.583 634 HG3 GLN 82 3HG GLN 82 -6.336 9.730 1.953 635 HE21 GLN 82 2HE2 GLN 82 -6.488 9.103 4.742 636 HE22 GLN 82 1HE2 GLN 82 -7.602 10.273 5.457 637 H GLN 83 H GLN 83 -9.009 9.802 -1.700 638 HA GLN 83 HA GLN 83 -11.246 8.136 -2.308 639 HB2 GLN 83 2HB GLN 83 -9.927 10.443 -3.799 640 HB3 GLN 83 3HB GLN 83 -11.441 9.707 -4.315 641 HG2 GLN 83 2HG GLN 83 -11.060 10.962 -1.563 642 HG3 GLN 83 3HG GLN 83 -11.667 11.829 -2.964 643 HE21 GLN 83 2HE2 GLN 83 -12.512 9.607 -0.391 644 HE22 GLN 83 1HE2 GLN 83 -14.183 9.395 -0.892 645 H LYS 84 H LYS 84 -7.998 8.239 -3.826 646 HA LYS 84 HA LYS 84 -8.797 6.662 -6.148 647 HB2 LYS 84 2HB LYS 84 -7.230 8.426 -6.419 648 HB3 LYS 84 3HB LYS 84 -6.241 7.883 -5.074 649 HG2 LYS 84 2HG LYS 84 -6.576 6.093 -7.475 650 HG3 LYS 84 3HG LYS 84 -5.526 7.500 -7.586 651 HD2 LYS 84 2HD LYS 84 -5.281 5.267 -5.549 652 HD3 LYS 84 3HD LYS 84 -4.261 5.506 -6.973 653 HE2 LYS 84 2HE LYS 84 -4.412 7.235 -4.475 654 HE3 LYS 84 3HE LYS 84 -3.103 6.161 -4.936 655 HZ1 LYS 84 3HZ LYS 84 -2.714 8.560 -5.418 656 HZ2 LYS 84 1HZ LYS 84 -2.549 7.608 -6.757 657 HZ3 LYS 84 2HZ LYS 84 -3.885 8.534 -6.544 658 H VAL 85 H VAL 85 -7.085 6.130 -3.053 659 HA VAL 85 HA VAL 85 -6.505 3.319 -3.572 660 HB VAL 85 HB VAL 85 -6.747 4.935 -1.000 661 HG11 VAL 85 1HG1 VAL 85 -5.835 2.042 -1.313 662 HG12 VAL 85 2HG1 VAL 85 -5.575 3.038 0.134 663 HG13 VAL 85 3HG1 VAL 85 -7.217 2.626 -0.356 664 HG21 VAL 85 3HG2 VAL 85 -4.780 5.396 -2.556 665 HG22 VAL 85 1HG2 VAL 85 -4.350 4.858 -0.929 666 HG23 VAL 85 2HG2 VAL 85 -4.267 3.725 -2.284 667 H LYS 86 H LYS 86 -9.253 4.938 -1.843 668 HA LYS 86 HA LYS 86 -10.668 2.450 -1.429 669 HB2 LYS 86 2HB LYS 86 -11.682 5.328 -1.456 670 HB3 LYS 86 3HB LYS 86 -12.653 3.908 -1.035 671 HG2 LYS 86 2HG LYS 86 -10.857 3.340 0.705 672 HG3 LYS 86 3HG LYS 86 -10.155 4.904 0.385 673 HD2 LYS 86 2HD LYS 86 -11.505 4.922 2.415 674 HD3 LYS 86 3HD LYS 86 -12.177 6.038 1.209 675 HE2 LYS 86 2HE LYS 86 -13.954 4.533 0.689 676 HE3 LYS 86 3HE LYS 86 -13.163 3.192 1.534 677 HZ1 LYS 86 3HZ LYS 86 -13.608 4.229 3.636 678 HZ2 LYS 86 1HZ LYS 86 -14.170 5.609 2.932 679 HZ3 LYS 86 2HZ LYS 86 -15.010 4.214 2.814 680 H LYS 87 H LYS 87 -10.899 4.851 -4.104 681 HA LYS 87 HA LYS 87 -12.900 3.415 -5.581 682 HB2 LYS 87 2HB LYS 87 -12.309 5.715 -6.045 683 HB3 LYS 87 3HB LYS 87 -10.705 5.224 -6.635 684 HG2 LYS 87 2HG LYS 87 -11.682 4.036 -8.506 685 HG3 LYS 87 3HG LYS 87 -13.317 4.171 -7.817 686 HD2 LYS 87 2HD LYS 87 -13.251 6.598 -8.045 687 HD3 LYS 87 3HD LYS 87 -11.598 6.520 -8.701 688 HE2 LYS 87 2HE LYS 87 -12.429 5.154 -10.610 689 HE3 LYS 87 3HE LYS 87 -14.070 5.228 -9.953 690 HZ1 LYS 87 3HZ LYS 87 -14.008 7.649 -10.252 691 HZ2 LYS 87 1HZ LYS 87 -12.492 7.580 -10.862 692 HZ3 LYS 87 2HZ LYS 87 -13.734 6.904 -11.676 693 H THR 88 H THR 88 -9.315 3.081 -5.659 694 HA THR 88 HA THR 88 -9.242 1.080 -7.654 695 HB THR 88 HB THR 88 -7.275 1.564 -5.403 696 HG1 THR 88 1HG THR 88 -7.489 3.338 -6.696 697 HG21 THR 88 1HG2 THR 88 -6.997 0.142 -8.081 698 HG22 THR 88 2HG2 THR 88 -5.668 0.538 -6.964 699 HG23 THR 88 3HG2 THR 88 -6.902 -0.628 -6.478 700 H ALA 89 H ALA 89 -9.768 0.774 -4.127 701 HA ALA 89 HA ALA 89 -9.629 -2.111 -4.074 702 HB1 ALA 89 1HB ALA 89 -9.220 -0.722 -2.102 703 HB2 ALA 89 2HB ALA 89 -10.876 -0.080 -2.174 704 HB3 ALA 89 3HB ALA 89 -10.613 -1.799 -1.837 705 H GLU 90 H GLU 90 -12.281 0.291 -4.480 706 HA GLU 90 HA GLU 90 -14.361 -1.690 -4.703 707 HB2 GLU 90 2HB GLU 90 -14.213 1.198 -5.659 708 HB3 GLU 90 3HB GLU 90 -15.652 0.185 -5.808 709 HG2 GLU 90 2HG GLU 90 -15.660 -0.156 -3.341 710 HG3 GLU 90 3HG GLU 90 -14.298 0.953 -3.197 711 H ALA 91 H ALA 91 -12.223 -0.190 -7.066 712 HA ALA 91 HA ALA 91 -13.444 -1.301 -9.417 713 HB1 ALA 91 1HB ALA 91 -10.716 -0.035 -8.885 714 HB2 ALA 91 2HB ALA 91 -11.423 -0.314 -10.493 715 HB3 ALA 91 3HB ALA 91 -12.192 0.820 -9.363 716 H GLY 92 H GLY 92 -11.551 -2.846 -7.058 717 HA2 GLY 92 2HA GLY 92 -10.734 -5.000 -6.968 718 HA3 GLY 92 3HA GLY 92 -11.226 -5.265 -8.644 719 H GLY 93 H GLY 93 -9.076 -2.566 -7.817 720 HA2 GLY 93 2HA GLY 93 -6.754 -2.601 -7.614 721 HA3 GLY 93 3HA GLY 93 -6.661 -4.116 -8.499 722 H VAL 94 H VAL 94 -5.158 -1.715 -8.796 723 HA VAL 94 HA VAL 94 -5.420 -1.486 -11.744 724 HB VAL 94 HB VAL 94 -6.168 0.644 -10.672 725 HG11 VAL 94 1HG1 VAL 94 -3.227 1.138 -10.057 726 HG12 VAL 94 2HG1 VAL 94 -4.612 2.204 -9.745 727 HG13 VAL 94 3HG1 VAL 94 -4.421 0.699 -8.828 728 HG21 VAL 94 3HG2 VAL 94 -5.376 0.502 -13.000 729 HG22 VAL 94 1HG2 VAL 94 -4.971 2.059 -12.259 730 HG23 VAL 94 2HG2 VAL 94 -3.712 0.824 -12.464 731 H THR 95 H THR 95 -3.656 -1.987 -12.843 732 HA THR 95 HA THR 95 -1.412 -3.071 -11.212 733 HB THR 95 HB THR 95 -1.615 -4.981 -12.890 734 HG1 THR 95 1HG THR 95 -3.599 -5.115 -13.956 735 HG21 THR 95 1HG2 THR 95 -3.522 -6.001 -11.714 736 HG22 THR 95 2HG2 THR 95 -2.536 -5.079 -10.566 737 HG23 THR 95 3HG2 THR 95 -4.069 -4.403 -11.155 738 H GLY 96 H GLY 96 -1.349 -0.610 -13.058 739 HA2 GLY 96 2HA GLY 96 0.274 -1.496 -15.241 740 HA3 GLY 96 3HA GLY 96 0.008 0.193 -14.770 741 H LYS 97 H LYS 97 2.354 -0.077 -15.701 742 HA LYS 97 HA LYS 97 4.437 -1.282 -14.155 743 HB2 LYS 97 2HB LYS 97 4.534 0.916 -16.265 744 HB3 LYS 97 3HB LYS 97 5.947 0.073 -15.621 745 HG2 LYS 97 2HG LYS 97 5.039 -2.097 -16.425 746 HG3 LYS 97 3HG LYS 97 3.649 -1.250 -17.131 747 HD2 LYS 97 2HD LYS 97 5.179 0.060 -18.582 748 HD3 LYS 97 3HD LYS 97 6.571 -0.797 -17.884 749 HE2 LYS 97 2HE LYS 97 5.637 -2.958 -18.682 750 HE3 LYS 97 3HE LYS 97 4.252 -2.106 -19.377 751 HZ1 LYS 97 3HZ LYS 97 5.800 -0.930 -20.852 752 HZ2 LYS 97 1HZ LYS 97 7.080 -1.719 -20.210 753 HZ3 LYS 97 2HZ LYS 97 5.952 -2.541 -21.054 754 H GLY 98 H GLY 98 2.911 1.801 -13.697 755 HA2 GLY 98 2HA GLY 98 3.105 3.286 -11.922 756 HA3 GLY 98 3HA GLY 98 4.301 2.216 -11.200 757 H GLN 99 H GLN 99 5.754 3.733 -10.584 758 HA GLN 99 HA GLN 99 6.515 6.044 -12.123 759 HB2 GLN 99 2HB GLN 99 7.725 4.720 -9.675 760 HB3 GLN 99 3HB GLN 99 8.203 6.308 -10.261 761 HG2 GLN 99 2HG GLN 99 5.374 5.652 -9.314 762 HG3 GLN 99 3HG GLN 99 6.658 6.271 -8.293 763 HE21 GLN 99 2HE2 GLN 99 5.190 8.071 -7.837 764 HE22 GLN 99 1HE2 GLN 99 5.078 9.387 -9.011 765 H ASP 100 H ASP 100 8.573 6.643 -12.891 766 HA ASP 100 HA ASP 100 10.317 4.493 -13.943 767 HB2 ASP 100 2HB ASP 100 9.547 6.420 -15.333 768 HB3 ASP 100 3HB ASP 100 10.437 7.512 -14.272 769 H GLY 101 H GLY 101 10.191 6.467 -11.152 770 HA2 GLY 101 2HA GLY 101 13.058 6.634 -10.564 771 HA3 GLY 101 3HA GLY 101 11.726 7.132 -9.528 772 H ILE 102 H ILE 102 13.697 5.913 -8.306 773 HA ILE 102 HA ILE 102 12.827 3.157 -7.658 774 HB ILE 102 HB ILE 102 14.257 3.183 -9.729 775 HG12 ILE 102 2HG1 ILE 102 15.534 1.624 -7.449 776 HG13 ILE 102 3HG1 ILE 102 13.997 1.193 -8.212 777 HG21 ILE 102 1HG2 ILE 102 16.553 3.902 -7.844 778 HG22 ILE 102 2HG2 ILE 102 16.655 3.586 -9.586 779 HG23 ILE 102 3HG2 ILE 102 15.811 5.019 -9.008 780 HD11 ILE 102 3HD1 ILE 102 16.717 1.290 -9.576 781 HD12 ILE 102 1HD1 ILE 102 15.767 -0.145 -9.165 782 HD13 ILE 102 2HD1 ILE 102 15.171 0.977 -10.404 783 H GLY 103 H GLY 103 14.190 6.052 -6.556 784 HA2 GLY 103 2HA GLY 103 13.807 5.915 -4.034 785 HA3 GLY 103 3HA GLY 103 15.135 4.757 -4.042 786 H SER 104 H SER 104 15.751 7.178 -6.348 787 HA SER 104 HA SER 104 18.035 8.084 -4.745 788 HB2 SER 104 2HB SER 104 17.257 8.593 -7.636 789 HB3 SER 104 3HB SER 104 18.772 9.117 -6.877 790 HG SER 104 HG SER 104 18.993 7.107 -7.979 791 H LYS 105 H LYS 105 18.721 10.284 -4.553 792 HA LYS 105 HA LYS 105 16.695 12.201 -3.809 793 HB2 LYS 105 2HB LYS 105 18.988 12.094 -2.844 794 HB3 LYS 105 3HB LYS 105 19.657 12.615 -4.398 795 HG2 LYS 105 2HG LYS 105 18.453 14.774 -4.207 796 HG3 LYS 105 3HG LYS 105 17.661 14.214 -2.728 797 HD2 LYS 105 2HD LYS 105 19.452 15.710 -2.138 798 HD3 LYS 105 3HD LYS 105 19.879 14.078 -1.601 799 HE2 LYS 105 2HE LYS 105 21.334 13.801 -3.600 800 HE3 LYS 105 3HE LYS 105 20.865 15.408 -4.171 801 HZ1 LYS 105 3HZ LYS 105 22.990 15.470 -2.999 802 HZ2 LYS 105 1HZ LYS 105 21.893 16.344 -2.168 803 HZ3 LYS 105 2HZ LYS 105 22.326 14.859 -1.640 804 H ALA 106 H ALA 106 15.807 13.870 -4.884 805 HA ALA 106 HA ALA 106 14.885 14.975 -6.618 806 HB1 ALA 106 1HB ALA 106 17.784 15.293 -7.464 807 HB2 ALA 106 2HB ALA 106 16.430 16.365 -7.880 808 HB3 ALA 106 3HB ALA 106 16.961 16.230 -6.195 809 H GLU 107 H GLU 107 14.701 12.217 -7.066 810 HA GLU 107 HA GLU 107 15.377 11.660 -9.830 811 HB2 GLU 107 2HB GLU 107 14.535 9.469 -9.429 812 HB3 GLU 107 3HB GLU 107 15.498 9.984 -8.049 813 HG2 GLU 107 2HG GLU 107 13.328 10.579 -6.856 814 HG3 GLU 107 3HG GLU 107 12.454 9.855 -8.208 815 H LYS 108 H LYS 108 12.915 13.512 -8.727 816 HA LYS 108 HA LYS 108 10.939 12.722 -10.832 817 HB2 LYS 108 2HB LYS 108 10.585 14.348 -8.286 818 HB3 LYS 108 3HB LYS 108 9.352 14.121 -9.532 819 HG2 LYS 108 2HG LYS 108 9.366 11.674 -9.145 820 HG3 LYS 108 3HG LYS 108 10.652 11.856 -7.944 821 HD2 LYS 108 2HD LYS 108 8.554 11.599 -6.790 822 HD3 LYS 108 3HD LYS 108 9.161 13.242 -6.535 823 HE2 LYS 108 2HE LYS 108 7.615 14.072 -8.316 824 HE3 LYS 108 3HE LYS 108 7.007 12.424 -8.542 825 HZ1 LYS 108 3HZ LYS 108 5.571 13.707 -7.046 826 HZ2 LYS 108 1HZ LYS 108 6.275 12.480 -6.199 827 HZ3 LYS 108 2HZ LYS 108 6.823 13.986 -6.012 Start of MODEL 2 1 H1 MET 1 H1 MET 1 -1.111 -17.586 15.685 2 H2 MET 1 H2 MET 1 -0.838 -19.175 15.956 3 H3 MET 1 H3 MET 1 -0.524 -18.522 14.483 4 HA MET 1 HA MET 1 0.891 -17.855 16.982 5 HB2 MET 1 2HB MET 1 1.868 -19.438 14.559 6 HB3 MET 1 3HB MET 1 2.892 -18.871 15.878 7 HG2 MET 1 2HG MET 1 0.630 -20.886 16.106 8 HG3 MET 1 3HG MET 1 2.358 -21.201 16.198 9 HE1 MET 1 1HE MET 1 0.274 -22.290 18.322 10 HE2 MET 1 2HE MET 1 2.025 -22.595 18.404 11 HE3 MET 1 3HE MET 1 1.159 -21.995 19.834 12 H ALA 2 H ALA 2 2.684 -16.405 16.751 13 HA ALA 2 HA ALA 2 3.503 -14.377 16.216 14 HB1 ALA 2 1HB ALA 2 3.593 -15.621 13.449 15 HB2 ALA 2 2HB ALA 2 4.601 -14.285 14.045 16 HB3 ALA 2 3HB ALA 2 4.754 -15.895 14.767 17 H GLU 3 H GLU 3 0.886 -13.977 16.583 18 HA GLU 3 HA GLU 3 0.100 -11.975 14.507 19 HB2 GLU 3 2HB GLU 3 -1.508 -13.799 14.743 20 HB3 GLU 3 3HB GLU 3 -1.622 -13.511 16.479 21 HG2 GLU 3 2HG GLU 3 -3.562 -12.609 15.297 22 HG3 GLU 3 3HG GLU 3 -2.663 -11.328 16.098 23 H SER 4 H SER 4 -0.419 -9.940 15.101 24 HA SER 4 HA SER 4 -0.160 -8.954 17.870 25 HB2 SER 4 2HB SER 4 1.702 -7.421 17.296 26 HB3 SER 4 3HB SER 4 2.174 -9.118 17.171 27 HG SER 4 HG SER 4 1.502 -7.337 15.037 28 H SER 5 H SER 5 -1.483 -8.606 14.727 29 HA SER 5 HA SER 5 -1.914 -5.651 15.021 30 HB2 SER 5 2HB SER 5 -0.771 -7.149 12.632 31 HB3 SER 5 3HB SER 5 -1.163 -5.423 12.684 32 HG SER 5 HG SER 5 1.040 -5.742 13.125 33 H ASP 6 H ASP 6 -3.942 -5.086 14.722 34 HA ASP 6 HA ASP 6 -5.916 -6.904 13.652 35 HB2 ASP 6 2HB ASP 6 -6.146 -4.055 14.681 36 HB3 ASP 6 3HB ASP 6 -7.508 -5.114 14.325 37 H LYS 7 H LYS 7 -3.898 -5.579 11.702 38 HA LYS 7 HA LYS 7 -5.760 -4.979 9.554 39 HB2 LYS 7 2HB LYS 7 -3.891 -3.116 8.934 40 HB3 LYS 7 3HB LYS 7 -5.439 -2.799 9.693 41 HG2 LYS 7 2HG LYS 7 -3.844 -1.520 10.850 42 HG3 LYS 7 3HG LYS 7 -4.355 -2.803 11.933 43 HD2 LYS 7 2HD LYS 7 -2.243 -4.082 11.075 44 HD3 LYS 7 3HD LYS 7 -1.731 -2.540 10.407 45 HE2 LYS 7 2HE LYS 7 -2.220 -3.252 13.333 46 HE3 LYS 7 3HE LYS 7 -0.676 -2.871 12.567 47 HZ1 LYS 7 3HZ LYS 7 -1.457 -0.964 13.785 48 HZ2 LYS 7 1HZ LYS 7 -1.553 -0.571 12.202 49 HZ3 LYS 7 2HZ LYS 7 -2.903 -0.958 13.032 50 H LEU 8 H LEU 8 -4.798 -5.289 7.494 51 HA LEU 8 HA LEU 8 -2.591 -7.328 7.520 52 HB2 LEU 8 2HB LEU 8 -4.841 -7.033 5.490 53 HB3 LEU 8 3HB LEU 8 -3.665 -8.324 5.631 54 HG LEU 8 HG LEU 8 -4.804 -8.510 8.093 55 HD11 LEU 8 1HD1 LEU 8 -7.049 -7.595 6.234 56 HD12 LEU 8 2HD1 LEU 8 -7.271 -8.319 7.842 57 HD13 LEU 8 3HD1 LEU 8 -6.502 -6.740 7.682 58 HD21 LEU 8 3HD2 LEU 8 -4.548 -10.359 6.489 59 HD22 LEU 8 1HD2 LEU 8 -6.187 -10.355 7.159 60 HD23 LEU 8 2HD2 LEU 8 -5.897 -9.729 5.518 61 H TYR 9 H TYR 9 -3.363 -4.187 6.579 62 HA TYR 9 HA TYR 9 -1.439 -4.186 4.315 63 HB2 TYR 9 2HB TYR 9 -4.141 -2.832 4.283 64 HB3 TYR 9 3HB TYR 9 -3.016 -2.999 2.945 65 HD1 TYR 9 HD2 TYR 9 -2.360 -5.758 2.742 66 HD2 TYR 9 HD1 TYR 9 -6.102 -4.026 3.926 67 HE1 TYR 9 HE2 TYR 9 -3.535 -7.839 2.020 68 HE2 TYR 9 HE1 TYR 9 -7.294 -6.098 3.209 69 HH TYR 9 HH TYR 9 -7.091 -8.097 2.079 70 H ARG 10 H ARG 10 -0.639 -2.120 3.786 71 HA ARG 10 HA ARG 10 -0.890 0.079 5.759 72 HB2 ARG 10 2HB ARG 10 0.990 -1.177 6.573 73 HB3 ARG 10 3HB ARG 10 1.570 -1.468 4.954 74 HG2 ARG 10 2HG ARG 10 3.104 0.015 5.952 75 HG3 ARG 10 3HG ARG 10 2.222 0.959 4.762 76 HD2 ARG 10 2HD ARG 10 0.712 1.722 6.678 77 HD3 ARG 10 3HD ARG 10 1.829 0.919 7.789 78 HE ARG 10 HE ARG 10 3.367 2.721 6.242 79 HH11 ARG 10 1HH2 ARG 10 0.791 3.025 8.691 80 HH12 ARG 10 2HH2 ARG 10 1.106 4.774 8.758 81 HH21 ARG 10 1HH1 ARG 10 3.768 4.822 6.749 82 HH22 ARG 10 2HH1 ARG 10 2.626 5.693 7.805 83 H VAL 11 H VAL 11 -0.547 2.150 4.814 84 HA VAL 11 HA VAL 11 0.553 2.359 2.066 85 HB VAL 11 HB VAL 11 -1.980 2.143 2.009 86 HG11 VAL 11 1HG1 VAL 11 -1.957 5.031 3.006 87 HG12 VAL 11 2HG1 VAL 11 -3.359 4.055 2.523 88 HG13 VAL 11 3HG1 VAL 11 -2.441 3.651 3.986 89 HG21 VAL 11 3HG2 VAL 11 -0.567 3.161 0.160 90 HG22 VAL 11 1HG2 VAL 11 -2.216 3.793 0.238 91 HG23 VAL 11 2HG2 VAL 11 -0.852 4.746 0.868 92 H GLU 12 H GLU 12 1.545 4.341 1.578 93 HA GLU 12 HA GLU 12 1.332 6.683 3.220 94 HB2 GLU 12 2HB GLU 12 3.626 6.718 4.107 95 HB3 GLU 12 3HB GLU 12 2.730 5.372 4.783 96 HG2 GLU 12 2HG GLU 12 3.852 3.818 3.184 97 HG3 GLU 12 3HG GLU 12 4.747 5.181 2.503 98 H TYR 13 H TYR 13 2.577 8.405 2.477 99 HA TYR 13 HA TYR 13 3.786 8.220 -0.189 100 HB2 TYR 13 2HB TYR 13 3.987 10.432 1.870 101 HB3 TYR 13 3HB TYR 13 4.367 10.537 0.154 102 HD1 TYR 13 HD1 TYR 13 2.200 9.406 -1.297 103 HD2 TYR 13 HD2 TYR 13 1.988 11.447 2.485 104 HE1 TYR 13 HE1 TYR 13 -0.058 10.277 -1.900 105 HE2 TYR 13 HE2 TYR 13 -0.281 12.305 1.900 106 HH TYR 13 HH TYR 13 -1.774 11.638 -1.290 107 H ALA 14 H ALA 14 5.895 7.983 -0.668 108 HA ALA 14 HA ALA 14 7.702 6.965 1.373 109 HB1 ALA 14 1HB ALA 14 8.038 7.493 -1.606 110 HB2 ALA 14 2HB ALA 14 9.164 6.572 -0.586 111 HB3 ALA 14 3HB ALA 14 7.515 5.974 -0.870 112 H LYS 15 H LYS 15 8.559 8.433 2.772 113 HA LYS 15 HA LYS 15 9.453 11.091 1.962 114 HB2 LYS 15 2HB LYS 15 8.476 10.546 4.184 115 HB3 LYS 15 3HB LYS 15 9.856 9.514 4.542 116 HG2 LYS 15 2HG LYS 15 10.041 11.628 5.694 117 HG3 LYS 15 3HG LYS 15 11.358 11.472 4.536 118 HD2 LYS 15 2HD LYS 15 10.168 12.970 2.958 119 HD3 LYS 15 3HD LYS 15 8.807 13.103 4.075 120 HE2 LYS 15 2HE LYS 15 11.677 13.958 4.686 121 HE3 LYS 15 3HE LYS 15 10.428 15.042 4.070 122 HZ1 LYS 15 3HZ LYS 15 9.121 14.589 6.079 123 HZ2 LYS 15 1HZ LYS 15 10.296 13.616 6.673 124 HZ3 LYS 15 2HZ LYS 15 10.578 15.207 6.469 125 H SER 16 H SER 16 10.968 8.000 2.122 126 HA SER 16 HA SER 16 13.443 8.957 0.940 127 HB2 SER 16 2HB SER 16 13.810 9.161 3.454 128 HB3 SER 16 3HB SER 16 13.673 7.396 3.530 129 HG SER 16 HG SER 16 15.550 8.989 2.076 130 H GLY 17 H GLY 17 14.298 7.332 -0.383 131 HA2 GLY 17 2HA GLY 17 12.482 5.158 -0.943 132 HA3 GLY 17 3HA GLY 17 13.884 5.639 -1.892 133 H ARG 18 H ARG 18 13.445 4.425 1.441 134 HA ARG 18 HA ARG 18 15.812 2.675 1.240 135 HB2 ARG 18 2HB ARG 18 13.866 2.987 3.562 136 HB3 ARG 18 3HB ARG 18 15.499 2.331 3.621 137 HG2 ARG 18 2HG ARG 18 14.717 5.230 3.125 138 HG3 ARG 18 3HG ARG 18 15.430 4.558 4.587 139 HD2 ARG 18 2HD ARG 18 17.505 4.025 3.366 140 HD3 ARG 18 3HD ARG 18 16.803 4.649 1.868 141 HE ARG 18 HE ARG 18 16.587 6.864 2.947 142 HH11 ARG 18 1HH2 ARG 18 19.012 4.748 4.367 143 HH12 ARG 18 2HH2 ARG 18 19.866 6.088 5.083 144 HH21 ARG 18 1HH1 ARG 18 17.705 8.476 3.867 145 HH22 ARG 18 2HH1 ARG 18 19.145 8.156 4.795 146 H ALA 19 H ALA 19 12.405 2.205 0.904 147 HA ALA 19 HA ALA 19 12.400 -0.579 1.750 148 HB1 ALA 19 1HB ALA 19 10.509 0.912 2.217 149 HB2 ALA 19 2HB ALA 19 10.243 1.148 0.474 150 HB3 ALA 19 3HB ALA 19 10.011 -0.454 1.207 151 H SER 20 H SER 20 11.868 -2.377 0.481 152 HA SER 20 HA SER 20 12.624 -2.197 -2.416 153 HB2 SER 20 2HB SER 20 13.183 -4.488 -0.521 154 HB3 SER 20 3HB SER 20 13.615 -4.387 -2.239 155 HG SER 20 HG SER 20 15.376 -3.820 -0.868 156 H CYS 21 HN CYS 21 11.331 -3.162 -3.890 157 HA CYS 21 HA CYS 21 8.628 -3.708 -3.041 158 HB2 CYS 21 2HB CYS 21 9.368 -2.407 -5.040 159 HB3 CYS 21 3HB CYS 21 9.899 -3.925 -5.780 160 H LYS 22 H LYS 22 7.452 -5.510 -3.200 161 HA LYS 22 HA LYS 22 8.932 -8.098 -3.028 162 HB2 LYS 22 2HB LYS 22 6.347 -7.125 -1.777 163 HB3 LYS 22 3HB LYS 22 7.018 -8.737 -1.513 164 HG2 LYS 22 2HG LYS 22 8.549 -6.195 -0.915 165 HG3 LYS 22 3HG LYS 22 7.394 -6.875 0.212 166 HD2 LYS 22 2HD LYS 22 8.652 -9.008 0.244 167 HD3 LYS 22 3HD LYS 22 9.821 -8.355 -0.931 168 HE2 LYS 22 2HE LYS 22 9.210 -7.090 1.766 169 HE3 LYS 22 3HE LYS 22 10.478 -8.304 1.553 170 HZ1 LYS 22 3HZ LYS 22 10.414 -5.691 0.109 171 HZ2 LYS 22 1HZ LYS 22 11.375 -6.043 1.393 172 HZ3 LYS 22 2HZ LYS 22 11.577 -6.835 -0.019 173 H LYS 23 H LYS 23 7.204 -6.675 -5.315 174 HA LYS 23 HA LYS 23 6.143 -9.263 -6.424 175 HB2 LYS 23 2HB LYS 23 4.295 -7.834 -5.830 176 HB3 LYS 23 3HB LYS 23 5.011 -6.468 -6.682 177 HG2 LYS 23 2HG LYS 23 3.132 -7.412 -7.887 178 HG3 LYS 23 3HG LYS 23 4.621 -7.518 -8.829 179 HD2 LYS 23 2HD LYS 23 4.822 -9.916 -8.356 180 HD3 LYS 23 3HD LYS 23 3.450 -9.847 -7.239 181 HE2 LYS 23 2HE LYS 23 1.980 -9.122 -9.119 182 HE3 LYS 23 3HE LYS 23 3.351 -9.238 -10.228 183 HZ1 LYS 23 3HZ LYS 23 3.472 -11.619 -9.740 184 HZ2 LYS 23 1HZ LYS 23 2.219 -11.524 -8.695 185 HZ3 LYS 23 2HZ LYS 23 1.980 -11.246 -10.283 186 H CYS 24 HN CYS 24 7.426 -6.049 -7.477 187 HA CYS 24 HA CYS 24 8.358 -7.355 -9.968 188 HB2 CYS 24 2HB CYS 24 8.607 -5.271 -10.925 189 HB3 CYS 24 3HB CYS 24 7.070 -5.227 -10.063 190 H SER 25 H SER 25 9.659 -6.831 -6.943 191 HA SER 25 HA SER 25 11.685 -7.008 -6.008 192 HB2 SER 25 2HB SER 25 12.491 -8.448 -8.542 193 HB3 SER 25 3HB SER 25 13.313 -8.520 -6.974 194 HG SER 25 HG SER 25 11.873 -10.287 -7.290 195 H GLU 26 H GLU 26 11.224 -4.567 -7.605 196 HA GLU 26 HA GLU 26 14.052 -3.609 -7.856 197 HB2 GLU 26 2HB GLU 26 11.452 -2.277 -8.695 198 HB3 GLU 26 3HB GLU 26 13.062 -1.593 -8.873 199 HG2 GLU 26 2HG GLU 26 12.001 -4.063 -10.289 200 HG3 GLU 26 3HG GLU 26 12.285 -2.479 -10.992 201 H SER 27 H SER 27 13.479 -0.894 -7.131 202 HA SER 27 HA SER 27 12.844 -1.173 -4.226 203 HB2 SER 27 2HB SER 27 15.154 0.414 -5.333 204 HB3 SER 27 3HB SER 27 14.639 0.278 -3.630 205 HG SER 27 HG SER 27 16.371 -1.151 -4.145 206 H ILE 28 H ILE 28 11.996 0.576 -3.146 207 HA ILE 28 HA ILE 28 10.135 1.963 -4.945 208 HB ILE 28 HB ILE 28 10.046 1.629 -1.939 209 HG12 ILE 28 2HG1 ILE 28 8.602 -0.064 -4.034 210 HG13 ILE 28 3HG1 ILE 28 10.064 -0.592 -3.202 211 HG21 ILE 28 1HG2 ILE 28 8.628 3.479 -2.832 212 HG22 ILE 28 2HG2 ILE 28 7.887 2.353 -3.985 213 HG23 ILE 28 3HG2 ILE 28 7.649 2.138 -2.247 214 HD11 ILE 28 3HD1 ILE 28 8.221 -1.587 -2.097 215 HD12 ILE 28 1HD1 ILE 28 8.937 -0.386 -1.016 216 HD13 ILE 28 2HD1 ILE 28 7.411 -0.030 -1.857 217 HA PRO 29 HA PRO 29 12.741 5.587 -4.172 218 HB2 PRO 29 2HB PRO 29 11.770 7.311 -6.012 219 HB3 PRO 29 3HB PRO 29 12.621 5.812 -6.503 220 HG2 PRO 29 2HG PRO 29 9.618 6.231 -6.233 221 HG3 PRO 29 3HG PRO 29 10.503 5.615 -7.655 222 HD2 PRO 29 2HD PRO 29 9.381 3.937 -5.822 223 HD3 PRO 29 3HD PRO 29 10.957 3.544 -6.581 224 H LYS 30 H LYS 30 12.610 7.731 -3.272 225 HA LYS 30 HA LYS 30 10.255 8.354 -1.681 226 HB2 LYS 30 2HB LYS 30 11.388 10.335 -0.994 227 HB3 LYS 30 3HB LYS 30 12.509 8.974 -0.974 228 HG2 LYS 30 2HG LYS 30 13.448 9.711 -3.140 229 HG3 LYS 30 3HG LYS 30 12.384 11.121 -3.118 230 HD2 LYS 30 2HD LYS 30 14.510 10.458 -1.036 231 HD3 LYS 30 3HD LYS 30 14.726 11.600 -2.353 232 HE2 LYS 30 2HE LYS 30 12.631 11.889 -0.148 233 HE3 LYS 30 3HE LYS 30 14.228 12.632 -0.115 234 HZ1 LYS 30 3HZ LYS 30 12.116 13.199 -2.144 235 HZ2 LYS 30 1HZ LYS 30 12.613 14.196 -0.957 236 HZ3 LYS 30 2HZ LYS 30 13.632 13.824 -2.175 237 H ASP 31 H ASP 31 9.084 10.360 -1.812 238 HA ASP 31 HA ASP 31 7.432 11.519 -2.804 239 HB2 ASP 31 2HB ASP 31 9.446 12.050 -5.011 240 HB3 ASP 31 3HB ASP 31 7.925 12.904 -4.775 241 H SER 32 H SER 32 7.218 8.822 -3.021 242 HA SER 32 HA SER 32 5.449 8.535 -5.381 243 HB2 SER 32 2HB SER 32 6.075 6.292 -5.760 244 HB3 SER 32 3HB SER 32 7.586 7.202 -5.707 245 HG SER 32 HG SER 32 8.112 6.235 -3.847 246 H LEU 33 H LEU 33 3.891 6.669 -4.958 247 HA LEU 33 HA LEU 33 2.943 6.702 -2.134 248 HB2 LEU 33 2HB LEU 33 1.367 7.577 -3.865 249 HB3 LEU 33 3HB LEU 33 1.487 6.043 -4.727 250 HG LEU 33 HG LEU 33 0.492 4.890 -2.727 251 HD11 LEU 33 1HD1 LEU 33 0.010 7.733 -1.748 252 HD12 LEU 33 2HD1 LEU 33 -0.728 6.266 -1.076 253 HD13 LEU 33 3HD1 LEU 33 1.016 6.508 -0.950 254 HD21 LEU 33 3HD2 LEU 33 -1.178 7.177 -3.854 255 HD22 LEU 33 1HD2 LEU 33 -0.883 5.627 -4.671 256 HD23 LEU 33 2HD2 LEU 33 -1.792 5.661 -3.151 257 H ARG 34 H ARG 34 3.034 4.818 -0.998 258 HA ARG 34 HA ARG 34 3.588 2.260 -2.403 259 HB2 ARG 34 2HB ARG 34 5.459 1.722 -1.040 260 HB3 ARG 34 3HB ARG 34 5.740 3.225 -1.917 261 HG2 ARG 34 2HG ARG 34 5.364 4.526 0.154 262 HG3 ARG 34 3HG ARG 34 5.065 3.016 1.048 263 HD2 ARG 34 2HD ARG 34 7.339 2.218 0.481 264 HD3 ARG 34 3HD ARG 34 7.623 3.688 -0.466 265 HE ARG 34 HE ARG 34 6.965 4.084 2.400 266 HH11 ARG 34 1HH2 ARG 34 9.651 3.941 0.105 267 HH12 ARG 34 2HH2 ARG 34 10.675 4.834 1.210 268 HH21 ARG 34 1HH1 ARG 34 8.276 5.012 3.668 269 HH22 ARG 34 2HH1 ARG 34 9.980 5.278 3.268 270 H MET 35 H MET 35 3.223 0.418 -1.266 271 HA MET 35 HA MET 35 1.454 0.618 1.094 272 HB2 MET 35 2HB MET 35 0.906 -0.932 -1.476 273 HB3 MET 35 3HB MET 35 0.124 -1.321 0.064 274 HG2 MET 35 2HG MET 35 -0.727 0.991 0.216 275 HG3 MET 35 3HG MET 35 -0.028 1.347 -1.367 276 HE1 MET 35 3HE MET 35 -3.835 -1.141 -0.453 277 HE2 MET 35 1HE MET 35 -2.238 -1.778 0.007 278 HE3 MET 35 2HE MET 35 -2.834 -0.255 0.717 279 H ALA 36 H ALA 36 1.263 -1.383 2.293 280 HA ALA 36 HA ALA 36 3.444 -3.304 1.860 281 HB1 ALA 36 1HB ALA 36 3.650 -1.238 3.834 282 HB2 ALA 36 2HB ALA 36 3.472 -2.789 4.679 283 HB3 ALA 36 3HB ALA 36 4.770 -2.566 3.504 284 H ILE 37 H ILE 37 3.237 -5.248 3.281 285 HA ILE 37 HA ILE 37 0.409 -5.754 4.110 286 HB ILE 37 HB ILE 37 2.191 -7.204 2.227 287 HG12 ILE 37 2HG1 ILE 37 -0.818 -7.244 2.669 288 HG13 ILE 37 3HG1 ILE 37 0.015 -5.949 1.802 289 HG21 ILE 37 1HG2 ILE 37 0.462 -8.808 4.142 290 HG22 ILE 37 2HG2 ILE 37 1.255 -9.408 2.654 291 HG23 ILE 37 3HG2 ILE 37 2.243 -8.862 4.002 292 HD11 ILE 37 3HD1 ILE 37 0.854 -7.600 0.148 293 HD12 ILE 37 1HD1 ILE 37 -0.107 -8.859 0.957 294 HD13 ILE 37 2HD1 ILE 37 -0.913 -7.470 0.199 295 H MET 38 H MET 38 0.047 -6.703 5.993 296 HA MET 38 HA MET 38 2.362 -7.098 7.808 297 HB2 MET 38 2HB MET 38 -0.620 -7.241 8.386 298 HB3 MET 38 3HB MET 38 0.662 -7.173 9.581 299 HG2 MET 38 2HG MET 38 0.265 -4.877 7.640 300 HG3 MET 38 3HG MET 38 -0.797 -5.080 9.011 301 HE1 MET 38 3HE MET 38 3.123 -5.956 9.360 302 HE2 MET 38 1HE MET 38 2.871 -4.910 7.943 303 HE3 MET 38 2HE MET 38 3.729 -4.285 9.383 304 H VAL 39 H VAL 39 3.341 -8.969 7.282 305 HA VAL 39 HA VAL 39 1.642 -11.439 7.211 306 HB VAL 39 HB VAL 39 2.955 -11.155 5.225 307 HG11 VAL 39 1HG1 VAL 39 5.368 -11.395 5.194 308 HG12 VAL 39 2HG1 VAL 39 4.911 -9.938 6.086 309 HG13 VAL 39 3HG1 VAL 39 5.441 -11.391 6.965 310 HG21 VAL 39 3HG2 VAL 39 3.910 -13.358 5.096 311 HG22 VAL 39 1HG2 VAL 39 4.004 -13.488 6.859 312 HG23 VAL 39 2HG2 VAL 39 2.420 -13.424 6.046 313 H GLN 40 H GLN 40 1.817 -13.006 8.618 314 HA GLN 40 HA GLN 40 2.992 -12.531 11.210 315 HB2 GLN 40 2HB GLN 40 2.241 -14.970 11.552 316 HB3 GLN 40 3HB GLN 40 1.021 -13.725 11.298 317 HG2 GLN 40 2HG GLN 40 0.614 -14.403 9.033 318 HG3 GLN 40 3HG GLN 40 2.013 -15.481 9.021 319 HE21 GLN 40 2HE2 GLN 40 1.900 -17.491 10.341 320 HE22 GLN 40 1HE2 GLN 40 0.313 -18.127 10.753 321 H SER 41 H SER 41 5.039 -12.776 11.797 322 HA SER 41 HA SER 41 6.889 -13.664 9.824 323 HB2 SER 41 2HB SER 41 7.194 -11.685 11.350 324 HB3 SER 41 3HB SER 41 7.496 -12.843 12.666 325 HG SER 41 HG SER 41 9.045 -12.245 10.417 326 HA PRO 42 HA PRO 42 8.114 -17.545 11.641 327 HB2 PRO 42 2HB PRO 42 10.223 -18.193 10.024 328 HB3 PRO 42 3HB PRO 42 8.523 -18.267 9.469 329 HG2 PRO 42 2HG PRO 42 10.522 -16.029 9.054 330 HG3 PRO 42 3HG PRO 42 9.454 -16.794 7.836 331 HD2 PRO 42 2HD PRO 42 8.818 -14.444 9.142 332 HD3 PRO 42 3HD PRO 42 7.572 -15.606 8.615 333 H MET 43 H MET 43 9.815 -14.554 11.688 334 HA MET 43 HA MET 43 11.844 -15.647 13.593 335 HB2 MET 43 2HB MET 43 13.449 -14.172 12.869 336 HB3 MET 43 3HB MET 43 12.712 -14.883 11.445 337 HG2 MET 43 2HG MET 43 11.241 -12.610 11.610 338 HG3 MET 43 3HG MET 43 12.671 -12.062 12.461 339 HE1 MET 43 3HE MET 43 12.387 -13.453 8.056 340 HE2 MET 43 1HE MET 43 12.263 -14.587 9.422 341 HE3 MET 43 2HE MET 43 11.043 -13.319 9.219 342 H PHE 44 H PHE 44 9.338 -13.263 13.229 343 HA PHE 44 HA PHE 44 10.065 -11.967 15.821 344 HB2 PHE 44 2HB PHE 44 10.172 -10.453 13.939 345 HB3 PHE 44 3HB PHE 44 8.562 -10.907 13.414 346 HD1 PHE 44 HD1 PHE 44 10.326 -9.478 16.428 347 HD2 PHE 44 HD2 PHE 44 6.746 -9.564 14.026 348 HE1 PHE 44 HE1 PHE 44 9.321 -7.705 17.850 349 HE2 PHE 44 HE2 PHE 44 5.748 -7.787 15.442 350 HZ PHE 44 HZ PHE 44 7.032 -6.861 17.362 351 H ASP 45 H ASP 45 8.328 -11.271 17.172 352 HA ASP 45 HA ASP 45 6.432 -13.475 17.629 353 HB2 ASP 45 2HB ASP 45 7.219 -11.096 19.346 354 HB3 ASP 45 3HB ASP 45 6.142 -12.400 19.849 355 H GLY 46 H GLY 46 5.705 -12.022 15.386 356 HA2 GLY 46 2HA GLY 46 3.003 -11.243 15.624 357 HA3 GLY 46 3HA GLY 46 3.986 -9.798 15.877 358 H LYS 47 H LYS 47 2.982 -8.980 13.985 359 HA LYS 47 HA LYS 47 3.741 -10.275 11.429 360 HB2 LYS 47 2HB LYS 47 1.621 -8.146 11.830 361 HB3 LYS 47 3HB LYS 47 1.949 -9.102 10.379 362 HG2 LYS 47 2HG LYS 47 1.566 -11.066 12.330 363 HG3 LYS 47 3HG LYS 47 0.445 -9.815 12.836 364 HD2 LYS 47 2HD LYS 47 0.621 -11.096 10.086 365 HD3 LYS 47 3HD LYS 47 -0.490 -11.612 11.345 366 HE2 LYS 47 2HE LYS 47 -0.504 -8.774 10.250 367 HE3 LYS 47 3HE LYS 47 -1.334 -10.093 9.413 368 HZ1 LYS 47 3HZ LYS 47 -2.682 -10.470 11.382 369 HZ2 LYS 47 1HZ LYS 47 -1.885 -9.431 12.260 370 HZ3 LYS 47 2HZ LYS 47 -2.797 -8.857 11.020 371 H VAL 48 H VAL 48 4.746 -9.283 9.799 372 HA VAL 48 HA VAL 48 6.165 -6.742 10.448 373 HB VAL 48 HB VAL 48 8.158 -7.686 9.340 374 HG11 VAL 48 1HG1 VAL 48 7.153 -9.376 11.673 375 HG12 VAL 48 2HG1 VAL 48 8.842 -9.132 11.194 376 HG13 VAL 48 3HG1 VAL 48 7.892 -7.769 11.809 377 HG21 VAL 48 3HG2 VAL 48 6.677 -10.354 9.393 378 HG22 VAL 48 1HG2 VAL 48 7.095 -9.439 7.932 379 HG23 VAL 48 2HG2 VAL 48 8.377 -10.091 8.960 380 HA PRO 49 HA PRO 49 4.627 -5.382 6.625 381 HB2 PRO 49 2HB PRO 49 6.043 -3.116 6.107 382 HB3 PRO 49 3HB PRO 49 4.964 -3.284 7.523 383 HG2 PRO 49 2HG PRO 49 7.975 -3.666 7.420 384 HG3 PRO 49 3HG PRO 49 7.018 -2.721 8.602 385 HD2 PRO 49 2HD PRO 49 7.857 -5.284 9.096 386 HD3 PRO 49 3HD PRO 49 6.306 -4.649 9.720 387 H HIS 50 H HIS 50 4.725 -6.193 4.635 388 HA HIS 50 HA HIS 50 7.323 -6.363 3.139 389 HB2 HIS 50 2HB HIS 50 4.668 -7.819 2.938 390 HB3 HIS 50 3HB HIS 50 5.760 -7.743 1.564 391 HD2 HIS 50 HD2 HIS 50 6.945 -8.225 5.209 392 HE1 HIS 50 HE1 HIS 50 7.834 -11.822 3.106 393 HE2 HIS 50 HE2 HIS 50 8.166 -10.570 5.298 394 H TRP 51 H TRP 51 7.702 -4.408 2.207 395 HA TRP 51 HA TRP 51 5.535 -2.692 1.350 396 HB2 TRP 51 2HB TRP 51 8.522 -2.417 0.939 397 HB3 TRP 51 3HB TRP 51 7.307 -1.165 0.694 398 HD1 TRP 51 HD1 TRP 51 9.330 -2.855 3.385 399 HE1 TRP 51 HE1 TRP 51 8.951 -1.716 5.648 400 HE3 TRP 51 HE3 TRP 51 5.457 0.270 2.087 401 HZ2 TRP 51 HZ2 TRP 51 7.137 0.198 6.788 402 HZ3 TRP 51 HZ3 TRP 51 4.373 1.683 3.845 403 HH2 TRP 51 HH2 TRP 51 5.237 1.678 6.166 404 H TYR 52 H TYR 52 4.975 -2.047 -0.718 405 HA TYR 52 HA TYR 52 6.506 -2.977 -3.041 406 HB2 TYR 52 2HB TYR 52 3.534 -3.202 -3.301 407 HB3 TYR 52 3HB TYR 52 4.861 -3.934 -4.213 408 HD1 TYR 52 HD1 TYR 52 3.448 -4.263 -0.689 409 HD2 TYR 52 HD2 TYR 52 4.796 -6.141 -4.319 410 HE1 TYR 52 HE1 TYR 52 2.903 -6.503 0.262 411 HE2 TYR 52 HE2 TYR 52 4.207 -8.377 -3.385 412 HH TYR 52 HH TYR 52 2.886 -8.775 -0.089 413 H HIS 53 H HIS 53 5.969 -1.697 -4.970 414 HA HIS 53 HA HIS 53 5.246 1.089 -4.639 415 HB2 HIS 53 2HB HIS 53 4.894 -0.656 -7.114 416 HB3 HIS 53 3HB HIS 53 4.860 1.086 -7.067 417 HD2 HIS 53 HD2 HIS 53 7.214 2.381 -6.478 418 HE1 HIS 53 HE1 HIS 53 9.722 -0.764 -7.886 419 HE2 HIS 53 HE2 HIS 53 9.649 1.681 -7.230 420 H PHE 54 H PHE 54 3.170 2.162 -5.086 421 HA PHE 54 HA PHE 54 0.908 1.028 -3.954 422 HB2 PHE 54 2HB PHE 54 0.944 3.349 -4.292 423 HB3 PHE 54 3HB PHE 54 1.236 3.208 -6.018 424 HD1 PHE 54 HD2 PHE 54 -1.411 2.503 -3.397 425 HD2 PHE 54 HD1 PHE 54 -0.548 3.337 -7.546 426 HE1 PHE 54 HE2 PHE 54 -3.844 2.625 -3.897 427 HE2 PHE 54 HE1 PHE 54 -2.986 3.471 -8.012 428 HZ PHE 54 HZ PHE 54 -4.623 3.020 -6.209 429 H SER 55 H SER 55 1.712 0.909 -7.488 430 HA SER 55 HA SER 55 -0.753 -0.482 -8.175 431 HB2 SER 55 2HB SER 55 0.472 -0.667 -10.421 432 HB3 SER 55 3HB SER 55 0.055 0.940 -9.815 433 HG SER 55 HG SER 55 2.608 -0.300 -9.871 434 H CYS 56 HN CYS 56 2.528 -1.467 -7.284 435 HA CYS 56 HA CYS 56 2.384 -4.097 -8.308 436 HB2 CYS 56 2HB CYS 56 4.026 -2.775 -6.151 437 HB3 CYS 56 3HB CYS 56 4.194 -4.485 -6.515 438 H PHE 57 H PHE 57 1.339 -2.731 -5.191 439 HA PHE 57 HA PHE 57 0.524 -5.059 -3.783 440 HB2 PHE 57 2HB PHE 57 0.538 -2.783 -2.881 441 HB3 PHE 57 3HB PHE 57 -0.825 -2.348 -3.908 442 HD1 PHE 57 HD1 PHE 57 -3.040 -3.621 -3.631 443 HD2 PHE 57 HD2 PHE 57 0.166 -3.822 -0.753 444 HE1 PHE 57 HE1 PHE 57 -4.613 -4.518 -1.956 445 HE2 PHE 57 HE2 PHE 57 -1.452 -4.602 0.962 446 HZ PHE 57 HZ PHE 57 -3.831 -5.004 0.348 447 H TRP 58 H TRP 58 -1.422 -3.091 -6.086 448 HA TRP 58 HA TRP 58 -3.623 -4.950 -6.129 449 HB2 TRP 58 2HB TRP 58 -2.995 -2.703 -8.061 450 HB3 TRP 58 3HB TRP 58 -4.566 -3.444 -7.760 451 HD1 TRP 58 HD1 TRP 58 -2.523 -0.590 -6.766 452 HE1 TRP 58 HE1 TRP 58 -3.360 0.564 -4.657 453 HE3 TRP 58 HE3 TRP 58 -5.951 -4.093 -5.247 454 HZ2 TRP 58 HZ2 TRP 58 -5.383 0.109 -2.629 455 HZ3 TRP 58 HZ3 TRP 58 -7.332 -3.684 -3.239 456 HH2 TRP 58 HH2 TRP 58 -7.075 -1.577 -1.947 457 H LYS 59 H LYS 59 -0.643 -4.989 -7.787 458 HA LYS 59 HA LYS 59 -1.512 -6.775 -9.966 459 HB2 LYS 59 2HB LYS 59 0.046 -4.923 -10.297 460 HB3 LYS 59 3HB LYS 59 1.167 -5.636 -9.123 461 HG2 LYS 59 2HG LYS 59 1.815 -7.337 -10.544 462 HG3 LYS 59 3HG LYS 59 0.381 -7.189 -11.569 463 HD2 LYS 59 2HD LYS 59 2.565 -6.298 -12.577 464 HD3 LYS 59 3HD LYS 59 1.156 -5.253 -12.637 465 HE2 LYS 59 2HE LYS 59 3.020 -3.869 -12.107 466 HE3 LYS 59 3HE LYS 59 1.989 -3.959 -10.685 467 HZ1 LYS 59 3HZ LYS 59 4.561 -5.377 -11.103 468 HZ2 LYS 59 1HZ LYS 59 4.237 -4.216 -9.983 469 HZ3 LYS 59 2HZ LYS 59 3.569 -5.686 -9.830 470 H VAL 60 H VAL 60 -0.192 -7.064 -6.709 471 HA VAL 60 HA VAL 60 -0.025 -10.018 -6.910 472 HB VAL 60 HB VAL 60 -0.448 -8.323 -4.418 473 HG11 VAL 60 1HG1 VAL 60 0.477 -11.205 -4.811 474 HG12 VAL 60 2HG1 VAL 60 0.484 -10.333 -3.267 475 HG13 VAL 60 3HG1 VAL 60 -1.050 -10.681 -4.071 476 HG21 VAL 60 3HG2 VAL 60 1.904 -8.590 -3.954 477 HG22 VAL 60 1HG2 VAL 60 2.159 -9.486 -5.462 478 HG23 VAL 60 2HG2 VAL 60 1.733 -7.758 -5.498 479 H GLY 61 H GLY 61 -2.406 -7.521 -6.044 480 HA2 GLY 61 2HA GLY 61 -4.675 -7.544 -6.561 481 HA3 GLY 61 3HA GLY 61 -4.583 -9.248 -6.994 482 H HIS 62 H HIS 62 -3.583 -7.908 -3.829 483 HA HIS 62 HA HIS 62 -5.393 -9.629 -2.335 484 HB2 HIS 62 2HB HIS 62 -3.603 -7.307 -1.567 485 HB3 HIS 62 3HB HIS 62 -4.713 -8.050 -0.421 486 HD2 HIS 62 HD2 HIS 62 -1.416 -8.720 -2.227 487 HE1 HIS 62 HE1 HIS 62 -2.044 -12.009 0.415 488 HE2 HIS 62 HE2 HIS 62 -0.381 -10.901 -1.158 489 H SER 63 H SER 63 -7.367 -9.262 -1.523 490 HA SER 63 HA SER 63 -8.843 -6.862 -2.451 491 HB2 SER 63 2HB SER 63 -9.834 -9.460 -1.217 492 HB3 SER 63 3HB SER 63 -10.854 -8.137 -1.815 493 HG SER 63 HG SER 63 -10.569 -9.812 -3.378 494 H ILE 64 H ILE 64 -9.837 -5.437 -1.248 495 HA ILE 64 HA ILE 64 -9.521 -5.503 1.720 496 HB ILE 64 HB ILE 64 -9.139 -3.015 0.057 497 HG12 ILE 64 2HG1 ILE 64 -6.957 -4.980 0.773 498 HG13 ILE 64 3HG1 ILE 64 -7.375 -4.312 -0.799 499 HG21 ILE 64 1HG2 ILE 64 -8.284 -3.798 2.878 500 HG22 ILE 64 2HG2 ILE 64 -8.060 -2.208 2.140 501 HG23 ILE 64 3HG2 ILE 64 -9.697 -2.798 2.481 502 HD11 ILE 64 3HD1 ILE 64 -6.723 -2.000 0.206 503 HD12 ILE 64 1HD1 ILE 64 -5.926 -2.959 1.473 504 HD13 ILE 64 2HD1 ILE 64 -5.439 -3.139 -0.211 505 H ARG 65 H ARG 65 -11.304 -4.929 2.802 506 HA ARG 65 HA ARG 65 -13.761 -4.237 1.202 507 HB2 ARG 65 2HB ARG 65 -14.942 -5.798 2.871 508 HB3 ARG 65 3HB ARG 65 -14.081 -6.492 1.515 509 HG2 ARG 65 2HG ARG 65 -12.670 -6.238 4.181 510 HG3 ARG 65 3HG ARG 65 -13.844 -7.513 3.948 511 HD2 ARG 65 2HD ARG 65 -12.544 -8.705 2.523 512 HD3 ARG 65 3HD ARG 65 -11.858 -7.284 1.736 513 HE ARG 65 HE ARG 65 -10.646 -7.099 4.150 514 HH11 ARG 65 1HH2 ARG 65 -10.833 -9.894 2.013 515 HH12 ARG 65 2HH2 ARG 65 -9.301 -10.496 2.584 516 HH21 ARG 65 1HH1 ARG 65 -8.888 -7.883 4.817 517 HH22 ARG 65 2HH1 ARG 65 -8.180 -9.378 4.182 518 H HIS 66 H HIS 66 -11.975 -3.573 4.073 519 HA HIS 66 HA HIS 66 -13.648 -1.173 4.371 520 HB2 HIS 66 2HB HIS 66 -13.662 -1.246 6.812 521 HB3 HIS 66 3HB HIS 66 -14.707 -2.408 6.027 522 HD2 HIS 66 HD2 HIS 66 -12.676 -4.888 5.726 523 HE1 HIS 66 HE1 HIS 66 -12.635 -4.789 9.955 524 HE2 HIS 66 HE2 HIS 66 -12.157 -6.215 7.917 525 HA PRO 67 HA PRO 67 -9.138 -0.923 3.840 526 HB2 PRO 67 2HB PRO 67 -9.039 1.279 2.105 527 HB3 PRO 67 3HB PRO 67 -9.296 -0.405 1.574 528 HG2 PRO 67 2HG PRO 67 -11.397 1.676 2.203 529 HG3 PRO 67 3HG PRO 67 -11.273 0.639 0.737 530 HD2 PRO 67 2HD PRO 67 -12.920 -0.030 2.725 531 HD3 PRO 67 3HD PRO 67 -11.886 -1.302 2.001 532 H ASP 68 H ASP 68 -11.237 1.791 4.798 533 HA ASP 68 HA ASP 68 -9.025 3.337 5.866 534 HB2 ASP 68 2HB ASP 68 -10.837 4.705 6.911 535 HB3 ASP 68 3HB ASP 68 -10.948 4.530 5.166 536 H VAL 69 H VAL 69 -10.438 0.487 6.899 537 HA VAL 69 HA VAL 69 -9.437 0.814 9.681 538 HB VAL 69 HB VAL 69 -11.075 -1.475 8.548 539 HG11 VAL 69 1HG1 VAL 69 -10.455 -0.644 11.412 540 HG12 VAL 69 2HG1 VAL 69 -11.533 -1.972 10.925 541 HG13 VAL 69 3HG1 VAL 69 -9.811 -2.070 10.565 542 HG21 VAL 69 3HG2 VAL 69 -13.005 -0.501 9.781 543 HG22 VAL 69 1HG2 VAL 69 -12.040 0.962 10.096 544 HG23 VAL 69 2HG2 VAL 69 -12.481 0.505 8.433 545 H GLU 70 H GLU 70 -9.217 -1.250 6.774 546 HA GLU 70 HA GLU 70 -7.198 -3.007 8.001 547 HB2 GLU 70 2HB GLU 70 -8.301 -2.904 5.153 548 HB3 GLU 70 3HB GLU 70 -7.323 -4.207 5.837 549 HG2 GLU 70 2HG GLU 70 -9.107 -4.753 7.431 550 HG3 GLU 70 3HG GLU 70 -10.118 -3.471 6.760 551 H VAL 71 H VAL 71 -7.047 -0.300 5.792 552 HA VAL 71 HA VAL 71 -4.160 -0.783 5.175 553 HB VAL 71 HB VAL 71 -5.893 1.436 4.104 554 HG11 VAL 71 1HG1 VAL 71 -3.235 0.188 3.282 555 HG12 VAL 71 2HG1 VAL 71 -4.061 1.576 2.525 556 HG13 VAL 71 3HG1 VAL 71 -3.418 1.707 4.181 557 HG21 VAL 71 3HG2 VAL 71 -6.802 -0.724 3.312 558 HG22 VAL 71 1HG2 VAL 71 -5.900 0.065 2.013 559 HG23 VAL 71 2HG2 VAL 71 -5.168 -1.285 2.917 560 H ASP 72 H ASP 72 -3.226 -0.529 7.067 561 HA ASP 72 HA ASP 72 -3.490 1.633 8.913 562 HB2 ASP 72 2HB ASP 72 -2.372 -0.527 9.277 563 HB3 ASP 72 3HB ASP 72 -1.122 -0.107 8.106 564 H GLY 73 H GLY 73 -2.683 3.717 8.860 565 HA2 GLY 73 2HA GLY 73 -1.451 5.571 8.142 566 HA3 GLY 73 3HA GLY 73 -0.692 4.592 6.888 567 H PHE 74 H PHE 74 -4.002 4.123 6.486 568 HA PHE 74 HA PHE 74 -4.334 5.700 4.161 569 HB2 PHE 74 2HB PHE 74 -5.733 3.800 4.829 570 HB3 PHE 74 3HB PHE 74 -6.365 4.703 6.199 571 HD1 PHE 74 HD1 PHE 74 -6.306 4.441 2.488 572 HD2 PHE 74 HD2 PHE 74 -8.192 6.267 5.912 573 HE1 PHE 74 HE1 PHE 74 -8.192 5.199 1.056 574 HE2 PHE 74 HE2 PHE 74 -10.081 7.007 4.470 575 HZ PHE 74 HZ PHE 74 -10.090 6.452 2.055 576 H SER 75 H SER 75 -4.837 6.597 7.554 577 HA SER 75 HA SER 75 -6.005 9.178 7.116 578 HB2 SER 75 2HB SER 75 -4.400 8.175 9.491 579 HB3 SER 75 3HB SER 75 -5.514 9.556 9.472 580 HG SER 75 HG SER 75 -6.514 7.661 10.298 581 H GLU 76 H GLU 76 -2.738 8.176 6.585 582 HA GLU 76 HA GLU 76 -1.543 10.839 7.068 583 HB2 GLU 76 2HB GLU 76 -0.331 8.331 5.840 584 HB3 GLU 76 3HB GLU 76 0.523 9.800 6.289 585 HG2 GLU 76 2HG GLU 76 0.007 9.449 8.660 586 HG3 GLU 76 3HG GLU 76 -0.960 8.025 8.275 587 H LEU 77 H LEU 77 -3.289 9.346 4.552 588 HA LEU 77 HA LEU 77 -1.962 10.721 2.312 589 HB2 LEU 77 2HB LEU 77 -4.405 8.941 2.466 590 HB3 LEU 77 3HB LEU 77 -3.709 9.566 0.979 591 HG LEU 77 HG LEU 77 -2.335 7.616 2.891 592 HD11 LEU 77 1HD1 LEU 77 -4.258 6.661 1.675 593 HD12 LEU 77 2HD1 LEU 77 -3.646 7.316 0.140 594 HD13 LEU 77 3HD1 LEU 77 -2.751 6.049 0.980 595 HD21 LEU 77 3HD2 LEU 77 -0.685 7.332 1.111 596 HD22 LEU 77 1HD2 LEU 77 -1.454 8.631 0.168 597 HD23 LEU 77 2HD2 LEU 77 -0.665 8.982 1.725 598 H ARG 78 H ARG 78 -3.026 12.101 0.856 599 HA ARG 78 HA ARG 78 -4.995 14.011 1.867 600 HB2 ARG 78 2HB ARG 78 -3.407 13.580 -0.644 601 HB3 ARG 78 3HB ARG 78 -4.959 14.319 -0.890 602 HG2 ARG 78 2HG ARG 78 -3.002 15.383 1.188 603 HG3 ARG 78 3HG ARG 78 -2.945 15.874 -0.507 604 HD2 ARG 78 2HD ARG 78 -5.388 16.200 1.291 605 HD3 ARG 78 3HD ARG 78 -4.211 17.472 0.903 606 HE ARG 78 HE ARG 78 -5.413 16.150 -1.444 607 HH11 ARG 78 1HH2 ARG 78 -5.834 18.939 0.664 608 HH12 ARG 78 2HH2 ARG 78 -6.771 19.768 -0.550 609 HH21 ARG 78 1HH1 ARG 78 -6.539 17.135 -2.797 610 HH22 ARG 78 2HH1 ARG 78 -7.179 18.763 -2.535 611 H TRP 79 H TRP 79 -7.055 14.373 1.056 612 HA TRP 79 HA TRP 79 -8.840 12.232 0.895 613 HB2 TRP 79 2HB TRP 79 -9.870 14.134 1.518 614 HB3 TRP 79 3HB TRP 79 -8.872 15.162 0.515 615 HD1 TRP 79 HD1 TRP 79 -12.251 13.505 0.534 616 HE1 TRP 79 HE1 TRP 79 -13.594 14.303 -1.509 617 HE3 TRP 79 HE3 TRP 79 -8.499 15.857 -2.005 618 HZ2 TRP 79 HZ2 TRP 79 -13.058 15.700 -4.000 619 HZ3 TRP 79 HZ3 TRP 79 -8.902 16.861 -4.223 620 HH2 TRP 79 HH2 TRP 79 -11.185 16.800 -5.239 621 H ASP 80 H ASP 80 -7.178 13.816 -1.835 622 HA ASP 80 HA ASP 80 -8.646 12.377 -3.871 623 HB2 ASP 80 2HB ASP 80 -6.854 13.273 -5.374 624 HB3 ASP 80 3HB ASP 80 -7.887 14.429 -4.548 625 H ASP 81 H ASP 81 -5.892 11.463 -1.981 626 HA ASP 81 HA ASP 81 -5.220 9.193 -3.776 627 HB2 ASP 81 2HB ASP 81 -3.929 10.288 -1.262 628 HB3 ASP 81 3HB ASP 81 -3.550 8.691 -1.912 629 H GLN 82 H GLN 82 -6.605 9.910 -0.530 630 HA GLN 82 HA GLN 82 -7.247 7.304 0.290 631 HB2 GLN 82 2HB GLN 82 -8.605 10.001 0.644 632 HB3 GLN 82 3HB GLN 82 -9.265 8.545 1.378 633 HG2 GLN 82 2HG GLN 82 -7.143 8.140 2.570 634 HG3 GLN 82 3HG GLN 82 -6.455 9.601 1.860 635 HE21 GLN 82 2HE2 GLN 82 -6.554 9.255 4.632 636 HE22 GLN 82 1HE2 GLN 82 -7.691 10.446 5.282 637 H GLN 83 H GLN 83 -9.368 9.519 -1.676 638 HA GLN 83 HA GLN 83 -11.348 7.509 -2.076 639 HB2 GLN 83 2HB GLN 83 -12.380 8.984 -3.607 640 HB3 GLN 83 3HB GLN 83 -11.671 9.966 -2.326 641 HG2 GLN 83 2HG GLN 83 -9.670 10.322 -3.905 642 HG3 GLN 83 3HG GLN 83 -10.639 9.570 -5.176 643 HE21 GLN 83 2HE2 GLN 83 -10.706 12.229 -2.761 644 HE22 GLN 83 1HE2 GLN 83 -11.652 13.318 -3.776 645 H LYS 84 H LYS 84 -8.289 7.955 -3.757 646 HA LYS 84 HA LYS 84 -8.985 6.331 -6.089 647 HB2 LYS 84 2HB LYS 84 -7.553 8.223 -6.354 648 HB3 LYS 84 3HB LYS 84 -6.501 7.725 -5.043 649 HG2 LYS 84 2HG LYS 84 -6.795 5.940 -7.455 650 HG3 LYS 84 3HG LYS 84 -5.827 7.403 -7.579 651 HD2 LYS 84 2HD LYS 84 -5.410 5.200 -5.537 652 HD3 LYS 84 3HD LYS 84 -4.460 5.433 -7.011 653 HE2 LYS 84 2HE LYS 84 -4.582 7.242 -4.565 654 HE3 LYS 84 3HE LYS 84 -3.258 6.181 -5.018 655 HZ1 LYS 84 3HZ LYS 84 -4.144 8.464 -6.699 656 HZ2 LYS 84 1HZ LYS 84 -2.944 8.559 -5.606 657 HZ3 LYS 84 2HZ LYS 84 -2.791 7.560 -6.912 658 H VAL 85 H VAL 85 -7.198 5.972 -3.005 659 HA VAL 85 HA VAL 85 -6.501 3.171 -3.433 660 HB VAL 85 HB VAL 85 -6.883 4.799 -0.884 661 HG11 VAL 85 1HG1 VAL 85 -5.752 1.971 -1.137 662 HG12 VAL 85 2HG1 VAL 85 -5.648 2.992 0.305 663 HG13 VAL 85 3HG1 VAL 85 -7.225 2.445 -0.259 664 HG21 VAL 85 3HG2 VAL 85 -4.897 5.345 -2.410 665 HG22 VAL 85 1HG2 VAL 85 -4.502 4.889 -0.749 666 HG23 VAL 85 2HG2 VAL 85 -4.293 3.718 -2.055 667 H LYS 86 H LYS 86 -9.359 4.729 -1.847 668 HA LYS 86 HA LYS 86 -10.700 2.212 -1.382 669 HB2 LYS 86 2HB LYS 86 -11.830 5.042 -1.527 670 HB3 LYS 86 3HB LYS 86 -12.728 3.598 -1.038 671 HG2 LYS 86 2HG LYS 86 -10.837 3.219 0.699 672 HG3 LYS 86 3HG LYS 86 -10.326 4.845 0.341 673 HD2 LYS 86 2HD LYS 86 -11.655 4.777 2.373 674 HD3 LYS 86 3HD LYS 86 -12.481 5.749 1.137 675 HE2 LYS 86 2HE LYS 86 -14.035 3.982 0.692 676 HE3 LYS 86 3HE LYS 86 -13.065 2.810 1.599 677 HZ1 LYS 86 3HZ LYS 86 -13.660 3.867 3.647 678 HZ2 LYS 86 1HZ LYS 86 -14.387 5.134 2.884 679 HZ3 LYS 86 2HZ LYS 86 -15.045 3.642 2.829 680 H LYS 87 H LYS 87 -10.908 4.462 -4.170 681 HA LYS 87 HA LYS 87 -12.808 2.911 -5.690 682 HB2 LYS 87 2HB LYS 87 -12.110 5.212 -6.236 683 HB3 LYS 87 3HB LYS 87 -10.501 4.655 -6.683 684 HG2 LYS 87 2HG LYS 87 -13.028 3.647 -8.054 685 HG3 LYS 87 3HG LYS 87 -12.260 5.169 -8.498 686 HD2 LYS 87 2HD LYS 87 -10.142 3.946 -9.047 687 HD3 LYS 87 3HD LYS 87 -10.985 2.413 -8.742 688 HE2 LYS 87 2HE LYS 87 -12.734 3.117 -10.421 689 HE3 LYS 87 3HE LYS 87 -11.731 4.516 -10.813 690 HZ1 LYS 87 3HZ LYS 87 -10.901 1.676 -11.128 691 HZ2 LYS 87 1HZ LYS 87 -11.335 2.674 -12.342 692 HZ3 LYS 87 2HZ LYS 87 -9.964 2.957 -11.522 693 H THR 88 H THR 88 -9.238 2.681 -5.532 694 HA THR 88 HA THR 88 -9.096 0.519 -7.357 695 HB THR 88 HB THR 88 -7.031 1.196 -5.255 696 HG1 THR 88 1HG THR 88 -7.464 3.001 -6.499 697 HG21 THR 88 1HG2 THR 88 -6.962 -0.137 -7.996 698 HG22 THR 88 2HG2 THR 88 -5.533 0.312 -7.034 699 HG23 THR 88 3HG2 THR 88 -6.657 -0.934 -6.447 700 H ALA 89 H ALA 89 -9.622 0.487 -3.842 701 HA ALA 89 HA ALA 89 -9.337 -2.367 -3.504 702 HB1 ALA 89 1HB ALA 89 -10.807 -0.246 -1.876 703 HB2 ALA 89 2HB ALA 89 -10.445 -1.898 -1.349 704 HB3 ALA 89 3HB ALA 89 -9.119 -0.752 -1.655 705 H GLU 90 H GLU 90 -12.092 -0.172 -4.210 706 HA GLU 90 HA GLU 90 -14.047 -2.285 -4.343 707 HB2 GLU 90 2HB GLU 90 -13.964 0.538 -5.467 708 HB3 GLU 90 3HB GLU 90 -15.350 -0.520 -5.694 709 HG2 GLU 90 2HG GLU 90 -14.263 0.197 -2.942 710 HG3 GLU 90 3HG GLU 90 -15.486 1.141 -3.781 711 H ALA 91 H ALA 91 -11.848 -0.888 -6.710 712 HA ALA 91 HA ALA 91 -12.874 -2.224 -9.020 713 HB1 ALA 91 1HB ALA 91 -10.104 -1.050 -8.463 714 HB2 ALA 91 2HB ALA 91 -10.828 -1.340 -10.053 715 HB3 ALA 91 3HB ALA 91 -11.520 -0.111 -8.965 716 H GLY 92 H GLY 92 -10.632 -3.265 -6.505 717 HA2 GLY 92 2HA GLY 92 -9.643 -5.294 -6.062 718 HA3 GLY 92 3HA GLY 92 -10.593 -6.028 -7.360 719 H GLY 93 H GLY 93 -8.631 -3.302 -8.209 720 HA2 GLY 93 2HA GLY 93 -6.164 -4.320 -9.035 721 HA3 GLY 93 3HA GLY 93 -7.317 -4.736 -10.308 722 H VAL 94 H VAL 94 -5.047 -2.642 -9.989 723 HA VAL 94 HA VAL 94 -6.451 -0.096 -10.123 724 HB VAL 94 HB VAL 94 -4.381 -0.396 -8.908 725 HG11 VAL 94 1HG1 VAL 94 -2.994 -0.508 -11.623 726 HG12 VAL 94 2HG1 VAL 94 -2.207 -0.408 -10.038 727 HG13 VAL 94 3HG1 VAL 94 -3.119 -1.858 -10.476 728 HG21 VAL 94 3HG2 VAL 94 -5.134 1.843 -9.649 729 HG22 VAL 94 1HG2 VAL 94 -3.372 1.715 -9.497 730 HG23 VAL 94 2HG2 VAL 94 -4.111 1.688 -11.103 731 H THR 95 H THR 95 -6.661 1.346 -11.719 732 HA THR 95 HA THR 95 -6.587 0.258 -14.485 733 HB THR 95 HB THR 95 -8.390 1.971 -14.853 734 HG1 THR 95 1HG THR 95 -8.030 3.397 -13.193 735 HG21 THR 95 1HG2 THR 95 -8.918 0.047 -12.537 736 HG22 THR 95 2HG2 THR 95 -10.122 0.713 -13.672 737 HG23 THR 95 3HG2 THR 95 -8.887 -0.419 -14.252 738 H GLY 96 H GLY 96 -4.973 2.658 -12.705 739 HA2 GLY 96 2HA GLY 96 -4.486 4.337 -15.062 740 HA3 GLY 96 3HA GLY 96 -3.865 4.604 -13.430 741 H LYS 97 H LYS 97 -1.924 5.130 -14.807 742 HA LYS 97 HA LYS 97 -0.435 3.034 -16.151 743 HB2 LYS 97 2HB LYS 97 0.462 5.780 -15.174 744 HB3 LYS 97 3HB LYS 97 1.345 4.756 -16.300 745 HG2 LYS 97 2HG LYS 97 -1.371 6.041 -16.823 746 HG3 LYS 97 3HG LYS 97 0.189 6.565 -17.454 747 HD2 LYS 97 2HD LYS 97 0.422 4.377 -18.653 748 HD3 LYS 97 3HD LYS 97 -1.207 3.928 -18.094 749 HE2 LYS 97 2HE LYS 97 -2.147 5.930 -19.214 750 HE3 LYS 97 3HE LYS 97 -0.532 6.387 -19.769 751 HZ1 LYS 97 3HZ LYS 97 -1.948 3.887 -20.536 752 HZ2 LYS 97 1HZ LYS 97 -1.750 5.193 -21.494 753 HZ3 LYS 97 2HZ LYS 97 -0.454 4.311 -21.047 754 H GLY 98 H GLY 98 -0.625 3.831 -12.818 755 HA2 GLY 98 2HA GLY 98 0.364 2.816 -10.977 756 HA3 GLY 98 3HA GLY 98 1.281 1.763 -12.054 757 H GLN 99 H GLN 99 2.850 2.223 -10.237 758 HA GLN 99 HA GLN 99 4.610 4.529 -10.926 759 HB2 GLN 99 2HB GLN 99 3.809 3.767 -8.088 760 HB3 GLN 99 3HB GLN 99 5.050 4.944 -8.548 761 HG2 GLN 99 2HG GLN 99 3.256 6.240 -9.796 762 HG3 GLN 99 3HG GLN 99 2.058 5.139 -9.110 763 HE21 GLN 99 2HE2 GLN 99 1.241 7.381 -8.366 764 HE22 GLN 99 1HE2 GLN 99 1.868 7.930 -6.818 765 H ASP 100 H ASP 100 6.802 4.261 -10.533 766 HA ASP 100 HA ASP 100 7.891 1.607 -9.842 767 HB2 ASP 100 2HB ASP 100 7.117 1.443 -12.209 768 HB3 ASP 100 3HB ASP 100 8.099 2.850 -12.619 769 H GLY 101 H GLY 101 10.333 1.624 -9.998 770 HA2 GLY 101 2HA GLY 101 11.964 3.792 -10.478 771 HA3 GLY 101 3HA GLY 101 11.481 4.031 -8.806 772 H ILE 102 H ILE 102 13.789 3.906 -8.455 773 HA ILE 102 HA ILE 102 14.699 1.150 -7.887 774 HB ILE 102 HB ILE 102 15.516 1.905 -10.116 775 HG12 ILE 102 2HG1 ILE 102 17.780 1.323 -8.176 776 HG13 ILE 102 3HG1 ILE 102 16.597 0.134 -8.724 777 HG21 ILE 102 1HG2 ILE 102 15.897 4.310 -9.545 778 HG22 ILE 102 2HG2 ILE 102 17.320 3.833 -8.599 779 HG23 ILE 102 3HG2 ILE 102 17.270 3.552 -10.347 780 HD11 ILE 102 3HD1 ILE 102 17.313 0.539 -11.081 781 HD12 ILE 102 1HD1 ILE 102 18.572 1.646 -10.479 782 HD13 ILE 102 2HD1 ILE 102 18.613 -0.068 -10.037 783 H GLY 103 H GLY 103 13.591 3.070 -6.123 784 HA2 GLY 103 2HA GLY 103 13.957 3.646 -3.887 785 HA3 GLY 103 3HA GLY 103 15.534 2.887 -4.004 786 H SER 104 H SER 104 16.264 4.583 -2.614 787 HA SER 104 HA SER 104 16.948 7.139 -4.030 788 HB2 SER 104 2HB SER 104 16.582 6.612 -1.064 789 HB3 SER 104 3HB SER 104 17.314 8.081 -1.729 790 HG SER 104 HG SER 104 15.394 8.484 -2.869 791 H LYS 105 H LYS 105 19.013 8.013 -3.707 792 HA LYS 105 HA LYS 105 21.208 6.124 -2.950 793 HB2 LYS 105 2HB LYS 105 20.677 6.162 -5.432 794 HB3 LYS 105 3HB LYS 105 21.128 7.869 -5.450 795 HG2 LYS 105 2HG LYS 105 23.430 7.242 -4.699 796 HG3 LYS 105 3HG LYS 105 22.924 5.535 -4.668 797 HD2 LYS 105 2HD LYS 105 22.441 5.649 -7.114 798 HD3 LYS 105 3HD LYS 105 22.926 7.347 -7.119 799 HE2 LYS 105 2HE LYS 105 24.755 6.086 -7.979 800 HE3 LYS 105 3HE LYS 105 25.223 6.687 -6.387 801 HZ1 LYS 105 3HZ LYS 105 24.216 3.930 -6.890 802 HZ2 LYS 105 1HZ LYS 105 25.795 4.317 -6.767 803 HZ3 LYS 105 2HZ LYS 105 24.828 4.487 -5.468 804 H ALA 106 H ALA 106 23.040 7.059 -2.080 805 HA ALA 106 HA ALA 106 22.954 10.004 -1.482 806 HB1 ALA 106 1HB ALA 106 23.838 9.444 0.737 807 HB2 ALA 106 2HB ALA 106 22.293 8.615 0.462 808 HB3 ALA 106 3HB ALA 106 23.823 7.714 0.328 809 H GLU 107 H GLU 107 24.809 7.461 -2.797 810 HA GLU 107 HA GLU 107 27.378 8.539 -2.215 811 HB2 GLU 107 2HB GLU 107 26.776 6.641 -4.512 812 HB3 GLU 107 3HB GLU 107 28.276 6.842 -3.619 813 HG2 GLU 107 2HG GLU 107 27.510 4.888 -2.696 814 HG3 GLU 107 3HG GLU 107 26.864 6.041 -1.534 815 H LYS 108 H LYS 108 28.932 9.546 -3.525 816 HA LYS 108 HA LYS 108 28.149 10.752 -6.102 817 HB2 LYS 108 2HB LYS 108 27.383 12.354 -4.349 818 HB3 LYS 108 3HB LYS 108 29.003 12.362 -3.653 819 HG2 LYS 108 2HG LYS 108 28.736 14.364 -4.936 820 HG3 LYS 108 3HG LYS 108 29.897 13.349 -5.757 821 HD2 LYS 108 2HD LYS 108 27.476 12.622 -7.008 822 HD3 LYS 108 3HD LYS 108 27.215 14.311 -6.602 823 HE2 LYS 108 2HE LYS 108 28.173 14.410 -8.747 824 HE3 LYS 108 3HE LYS 108 29.522 14.775 -7.663 825 HZ1 LYS 108 3HZ LYS 108 30.068 12.301 -7.838 826 HZ2 LYS 108 1HZ LYS 108 28.967 12.199 -9.031 827 HZ3 LYS 108 2HZ LYS 108 30.275 13.152 -9.230 Start of MODEL 3 1 H1 MET 1 H1 MET 1 -1.192 4.483 20.205 2 H2 MET 1 H2 MET 1 -1.218 2.910 19.748 3 H3 MET 1 H3 MET 1 0.038 3.875 19.315 4 HA MET 1 HA MET 1 0.718 4.140 21.592 5 HB2 MET 1 2HB MET 1 -1.532 3.897 22.587 6 HB3 MET 1 3HB MET 1 -1.521 2.173 22.226 7 HG2 MET 1 2HG MET 1 -0.938 2.596 24.564 8 HG3 MET 1 3HG MET 1 0.388 1.826 23.709 9 HE1 MET 1 1HE MET 1 0.326 6.206 25.250 10 HE2 MET 1 2HE MET 1 -0.758 5.696 23.940 11 HE3 MET 1 3HE MET 1 -0.926 4.987 25.564 12 H ALA 2 H ALA 2 -0.469 0.859 20.647 13 HA ALA 2 HA ALA 2 2.343 -0.065 20.348 14 HB1 ALA 2 1HB ALA 2 1.904 -1.978 21.831 15 HB2 ALA 2 2HB ALA 2 1.683 -0.454 22.705 16 HB3 ALA 2 3HB ALA 2 0.263 -1.375 22.155 17 H GLU 3 H GLU 3 -0.507 0.226 18.816 18 HA GLU 3 HA GLU 3 -0.940 -2.438 17.802 19 HB2 GLU 3 2HB GLU 3 -2.100 0.170 16.728 20 HB3 GLU 3 3HB GLU 3 -2.737 -1.459 16.544 21 HG2 GLU 3 2HG GLU 3 -4.120 -0.841 18.200 22 HG3 GLU 3 3HG GLU 3 -2.798 -1.339 19.245 23 H SER 4 H SER 4 1.653 -1.801 17.324 24 HA SER 4 HA SER 4 2.516 -0.751 14.923 25 HB2 SER 4 2HB SER 4 3.488 -3.116 16.552 26 HB3 SER 4 3HB SER 4 4.465 -2.307 15.294 27 HG SER 4 HG SER 4 4.910 -1.473 17.390 28 H SER 5 H SER 5 1.180 -4.024 15.408 29 HA SER 5 HA SER 5 1.246 -4.487 12.466 30 HB2 SER 5 2HB SER 5 2.147 -6.678 12.764 31 HB3 SER 5 3HB SER 5 3.228 -5.507 13.505 32 HG SER 5 HG SER 5 1.317 -7.114 14.905 33 H ASP 6 H ASP 6 -0.953 -3.826 14.401 34 HA ASP 6 HA ASP 6 -2.542 -6.256 14.298 35 HB2 ASP 6 2HB ASP 6 -2.368 -4.809 16.331 36 HB3 ASP 6 3HB ASP 6 -3.257 -3.550 15.474 37 H LYS 7 H LYS 7 -2.044 -5.445 11.767 38 HA LYS 7 HA LYS 7 -4.663 -4.972 10.525 39 HB2 LYS 7 2HB LYS 7 -3.628 -3.336 8.950 40 HB3 LYS 7 3HB LYS 7 -3.973 -2.739 10.554 41 HG2 LYS 7 2HG LYS 7 -1.239 -3.858 10.223 42 HG3 LYS 7 3HG LYS 7 -1.584 -2.450 9.211 43 HD2 LYS 7 2HD LYS 7 -2.317 -1.202 11.226 44 HD3 LYS 7 3HD LYS 7 -1.935 -2.594 12.239 45 HE2 LYS 7 2HE LYS 7 0.428 -2.462 11.678 46 HE3 LYS 7 3HE LYS 7 0.115 -1.263 10.419 47 HZ1 LYS 7 3HZ LYS 7 -0.354 -0.779 13.317 48 HZ2 LYS 7 1HZ LYS 7 0.938 -0.238 12.463 49 HZ3 LYS 7 2HZ LYS 7 -0.558 0.314 12.088 50 H LEU 8 H LEU 8 -4.358 -5.260 8.106 51 HA LEU 8 HA LEU 8 -2.412 -7.456 7.470 52 HB2 LEU 8 2HB LEU 8 -4.927 -6.452 6.063 53 HB3 LEU 8 3HB LEU 8 -3.945 -7.809 5.526 54 HG LEU 8 HG LEU 8 -5.513 -7.743 8.148 55 HD11 LEU 8 1HD1 LEU 8 -6.912 -7.655 6.125 56 HD12 LEU 8 2HD1 LEU 8 -6.069 -9.081 5.477 57 HD13 LEU 8 3HD1 LEU 8 -7.060 -9.224 6.955 58 HD21 LEU 8 3HD2 LEU 8 -3.580 -9.252 8.258 59 HD22 LEU 8 1HD2 LEU 8 -5.081 -10.184 8.133 60 HD23 LEU 8 2HD2 LEU 8 -4.037 -9.986 6.703 61 H TYR 9 H TYR 9 -3.190 -4.105 6.797 62 HA TYR 9 HA TYR 9 -1.481 -4.135 4.358 63 HB2 TYR 9 2HB TYR 9 -4.242 -2.916 4.605 64 HB3 TYR 9 3HB TYR 9 -3.225 -2.919 3.167 65 HD1 TYR 9 HD1 TYR 9 -2.400 -5.692 2.876 66 HD2 TYR 9 HD2 TYR 9 -6.180 -4.086 4.137 67 HE1 TYR 9 HE1 TYR 9 -3.521 -7.792 2.149 68 HE2 TYR 9 HE2 TYR 9 -7.309 -6.197 3.448 69 HH TYR 9 HH TYR 9 -5.490 -8.907 1.957 70 H ARG 10 H ARG 10 -0.662 -2.154 3.738 71 HA ARG 10 HA ARG 10 -0.850 0.162 5.588 72 HB2 ARG 10 2HB ARG 10 1.090 -1.033 6.360 73 HB3 ARG 10 3HB ARG 10 1.593 -1.387 4.724 74 HG2 ARG 10 2HG ARG 10 3.136 0.170 5.632 75 HG3 ARG 10 3HG ARG 10 2.228 1.001 4.377 76 HD2 ARG 10 2HD ARG 10 0.757 1.976 6.169 77 HD3 ARG 10 3HD ARG 10 1.761 1.180 7.392 78 HE ARG 10 HE ARG 10 3.410 2.847 5.760 79 HH11 ARG 10 1HH2 ARG 10 0.973 3.227 8.338 80 HH12 ARG 10 2HH2 ARG 10 1.358 4.957 8.418 81 HH21 ARG 10 1HH1 ARG 10 3.927 5.039 6.323 82 HH22 ARG 10 2HH1 ARG 10 2.813 5.838 7.426 83 H VAL 11 H VAL 11 -0.647 2.159 4.531 84 HA VAL 11 HA VAL 11 0.362 2.278 1.745 85 HB VAL 11 HB VAL 11 -2.166 2.073 1.775 86 HG11 VAL 11 1HG1 VAL 11 -2.133 4.983 2.701 87 HG12 VAL 11 2HG1 VAL 11 -3.541 3.975 2.307 88 HG13 VAL 11 3HG1 VAL 11 -2.556 3.628 3.741 89 HG21 VAL 11 3HG2 VAL 11 -1.119 4.694 0.583 90 HG22 VAL 11 1HG2 VAL 11 -0.814 3.119 -0.136 91 HG23 VAL 11 2HG2 VAL 11 -2.476 3.710 -0.004 92 H GLU 12 H GLU 12 1.481 4.181 1.281 93 HA GLU 12 HA GLU 12 1.082 6.579 2.864 94 HB2 GLU 12 2HB GLU 12 3.286 6.791 3.814 95 HB3 GLU 12 3HB GLU 12 2.574 5.311 4.418 96 HG2 GLU 12 2HG GLU 12 3.947 3.953 2.935 97 HG3 GLU 12 3HG GLU 12 4.570 5.384 2.114 98 H TYR 13 H TYR 13 2.153 8.381 2.252 99 HA TYR 13 HA TYR 13 3.669 8.474 -0.263 100 HB2 TYR 13 2HB TYR 13 3.413 10.497 1.986 101 HB3 TYR 13 3HB TYR 13 4.073 10.783 0.380 102 HD1 TYR 13 HD1 TYR 13 1.766 9.122 -1.082 103 HD2 TYR 13 HD2 TYR 13 1.753 12.222 1.918 104 HE1 TYR 13 HE1 TYR 13 -0.381 9.982 -1.981 105 HE2 TYR 13 HE2 TYR 13 -0.448 13.024 1.064 106 HH TYR 13 HH TYR 13 -1.951 11.626 -1.875 107 H ALA 14 H ALA 14 5.643 7.781 -0.376 108 HA ALA 14 HA ALA 14 6.909 6.401 1.682 109 HB1 ALA 14 1HB ALA 14 7.875 7.393 -1.025 110 HB2 ALA 14 2HB ALA 14 8.737 6.186 -0.049 111 HB3 ALA 14 3HB ALA 14 7.104 5.850 -0.669 112 H LYS 15 H LYS 15 8.331 6.850 3.220 113 HA LYS 15 HA LYS 15 9.148 9.611 3.724 114 HB2 LYS 15 2HB LYS 15 9.811 7.096 5.310 115 HB3 LYS 15 3HB LYS 15 9.914 8.762 5.869 116 HG2 LYS 15 2HG LYS 15 7.392 7.203 5.205 117 HG3 LYS 15 3HG LYS 15 7.952 7.708 6.798 118 HD2 LYS 15 2HD LYS 15 7.694 10.101 6.117 119 HD3 LYS 15 3HD LYS 15 7.030 9.581 4.561 120 HE2 LYS 15 2HE LYS 15 5.850 8.915 7.288 121 HE3 LYS 15 3HE LYS 15 5.296 10.209 6.217 122 HZ1 LYS 15 3HZ LYS 15 5.216 7.300 5.583 123 HZ2 LYS 15 1HZ LYS 15 3.934 8.249 5.930 124 HZ3 LYS 15 2HZ LYS 15 4.804 8.490 4.536 125 H SER 16 H SER 16 10.844 6.685 2.769 126 HA SER 16 HA SER 16 13.272 8.160 2.038 127 HB2 SER 16 2HB SER 16 13.552 7.658 4.478 128 HB3 SER 16 3HB SER 16 13.461 5.925 4.091 129 HG SER 16 HG SER 16 15.632 6.877 4.165 130 H GLY 17 H GLY 17 14.725 6.853 0.765 131 HA2 GLY 17 2HA GLY 17 13.289 5.175 -1.098 132 HA3 GLY 17 3HA GLY 17 14.974 5.670 -1.200 133 H ARG 18 H ARG 18 14.247 4.072 1.746 134 HA ARG 18 HA ARG 18 16.130 1.946 1.093 135 HB2 ARG 18 2HB ARG 18 14.508 2.410 3.634 136 HB3 ARG 18 3HB ARG 18 15.901 1.347 3.472 137 HG2 ARG 18 2HG ARG 18 15.925 4.384 3.263 138 HG3 ARG 18 3HG ARG 18 16.513 3.406 4.604 139 HD2 ARG 18 2HD ARG 18 18.221 2.385 3.048 140 HD3 ARG 18 3HD ARG 18 17.657 3.477 1.782 141 HE ARG 18 HE ARG 18 18.667 5.295 2.819 142 HH11 ARG 18 1HH2 ARG 18 18.986 2.554 4.986 143 HH12 ARG 18 2HH2 ARG 18 20.142 3.377 5.995 144 HH21 ARG 18 1HH1 ARG 18 20.143 6.275 4.150 145 HH22 ARG 18 2HH1 ARG 18 20.774 5.426 5.529 146 H ALA 19 H ALA 19 12.661 2.022 1.040 147 HA ALA 19 HA ALA 19 12.291 -0.798 1.595 148 HB1 ALA 19 1HB ALA 19 9.971 -0.407 0.984 149 HB2 ALA 19 2HB ALA 19 10.537 0.896 2.043 150 HB3 ALA 19 3HB ALA 19 10.380 1.170 0.288 151 H SER 20 H SER 20 11.885 -2.470 0.228 152 HA SER 20 HA SER 20 12.527 -2.131 -2.664 153 HB2 SER 20 2HB SER 20 13.389 -4.396 -2.675 154 HB3 SER 20 3HB SER 20 14.289 -3.337 -1.580 155 HG SER 20 HG SER 20 13.910 -5.282 -0.551 156 H CYS 21 HN CYS 21 11.239 -3.070 -4.180 157 HA CYS 21 HA CYS 21 8.497 -3.666 -3.339 158 HB2 CYS 21 2HB CYS 21 9.067 -2.169 -5.232 159 HB3 CYS 21 3HB CYS 21 9.783 -3.552 -6.082 160 H LYS 22 H LYS 22 7.963 -5.613 -2.710 161 HA LYS 22 HA LYS 22 9.604 -7.957 -3.207 162 HB2 LYS 22 2HB LYS 22 6.828 -7.830 -1.980 163 HB3 LYS 22 3HB LYS 22 8.009 -9.109 -1.740 164 HG2 LYS 22 2HG LYS 22 8.444 -6.243 -0.851 165 HG3 LYS 22 3HG LYS 22 7.664 -7.455 0.139 166 HD2 LYS 22 2HD LYS 22 9.634 -8.884 0.087 167 HD3 LYS 22 3HD LYS 22 10.482 -7.763 -1.007 168 HE2 LYS 22 2HE LYS 22 9.394 -6.994 1.719 169 HE3 LYS 22 3HE LYS 22 11.020 -7.656 1.514 170 HZ1 LYS 22 3HZ LYS 22 11.619 -5.770 0.143 171 HZ2 LYS 22 1HZ LYS 22 10.117 -5.176 0.116 172 HZ3 LYS 22 2HZ LYS 22 10.986 -5.189 1.519 173 H LYS 23 H LYS 23 7.385 -6.564 -5.179 174 HA LYS 23 HA LYS 23 6.334 -9.088 -6.391 175 HB2 LYS 23 2HB LYS 23 4.639 -7.534 -5.676 176 HB3 LYS 23 3HB LYS 23 5.453 -6.197 -6.474 177 HG2 LYS 23 2HG LYS 23 3.479 -6.851 -7.688 178 HG3 LYS 23 3HG LYS 23 4.907 -7.072 -8.674 179 HD2 LYS 23 2HD LYS 23 3.355 -8.899 -9.036 180 HD3 LYS 23 3HD LYS 23 4.826 -9.521 -8.293 181 HE2 LYS 23 2HE LYS 23 3.709 -9.600 -6.093 182 HE3 LYS 23 3HE LYS 23 2.243 -8.892 -6.793 183 HZ1 LYS 23 3HZ LYS 23 3.407 -11.490 -7.669 184 HZ2 LYS 23 1HZ LYS 23 2.170 -11.369 -6.621 185 HZ3 LYS 23 2HZ LYS 23 1.977 -10.863 -8.159 186 H CYS 24 HN CYS 24 7.742 -5.950 -7.509 187 HA CYS 24 HA CYS 24 8.491 -7.330 -10.028 188 HB2 CYS 24 2HB CYS 24 8.406 -5.329 -11.159 189 HB3 CYS 24 3HB CYS 24 6.950 -5.397 -10.172 190 H SER 25 H SER 25 9.982 -6.741 -7.203 191 HA SER 25 HA SER 25 12.069 -6.784 -6.445 192 HB2 SER 25 2HB SER 25 12.849 -7.869 -9.161 193 HB3 SER 25 3HB SER 25 13.797 -7.975 -7.669 194 HG SER 25 HG SER 25 12.569 -9.879 -8.061 195 H GLU 26 H GLU 26 11.186 -4.327 -7.921 196 HA GLU 26 HA GLU 26 13.773 -2.911 -8.341 197 HB2 GLU 26 2HB GLU 26 10.863 -2.061 -8.493 198 HB3 GLU 26 3HB GLU 26 12.221 -0.960 -8.725 199 HG2 GLU 26 2HG GLU 26 13.015 -2.322 -10.635 200 HG3 GLU 26 3HG GLU 26 11.621 -3.386 -10.461 201 H SER 27 H SER 27 13.547 -0.572 -7.124 202 HA SER 27 HA SER 27 12.647 -0.981 -4.329 203 HB2 SER 27 2HB SER 27 15.274 0.287 -5.103 204 HB3 SER 27 3HB SER 27 14.517 0.369 -3.493 205 HG SER 27 HG SER 27 16.068 -1.350 -3.727 206 H ILE 28 H ILE 28 12.131 0.911 -3.147 207 HA ILE 28 HA ILE 28 10.387 2.449 -4.980 208 HB ILE 28 HB ILE 28 9.929 1.703 -2.086 209 HG12 ILE 28 2HG1 ILE 28 8.729 0.312 -4.516 210 HG13 ILE 28 3HG1 ILE 28 10.104 -0.330 -3.619 211 HG21 ILE 28 1HG2 ILE 28 7.569 2.271 -2.675 212 HG22 ILE 28 2HG2 ILE 28 8.615 3.673 -2.904 213 HG23 ILE 28 3HG2 ILE 28 8.070 2.732 -4.303 214 HD11 ILE 28 3HD1 ILE 28 8.763 -0.379 -1.535 215 HD12 ILE 28 1HD1 ILE 28 7.327 0.096 -2.476 216 HD13 ILE 28 2HD1 ILE 28 8.150 -1.428 -2.820 217 HA PRO 29 HA PRO 29 12.815 5.974 -3.373 218 HB2 PRO 29 2HB PRO 29 11.921 7.919 -5.062 219 HB3 PRO 29 3HB PRO 29 13.025 6.617 -5.596 220 HG2 PRO 29 2HG PRO 29 9.994 6.681 -5.850 221 HG3 PRO 29 3HG PRO 29 11.200 6.374 -7.141 222 HD2 PRO 29 2HD PRO 29 9.986 4.346 -5.837 223 HD3 PRO 29 3HD PRO 29 11.725 4.233 -6.254 224 H LYS 30 H LYS 30 12.431 7.960 -2.248 225 HA LYS 30 HA LYS 30 9.936 8.102 -0.778 226 HB2 LYS 30 2HB LYS 30 10.859 9.708 0.548 227 HB3 LYS 30 3HB LYS 30 12.197 8.653 0.147 228 HG2 LYS 30 2HG LYS 30 13.136 10.281 -1.376 229 HG3 LYS 30 3HG LYS 30 11.718 11.331 -1.244 230 HD2 LYS 30 2HD LYS 30 13.429 10.571 1.158 231 HD3 LYS 30 3HD LYS 30 13.759 11.997 0.165 232 HE2 LYS 30 2HE LYS 30 11.822 13.119 0.808 233 HE3 LYS 30 3HE LYS 30 10.957 11.638 1.215 234 HZ1 LYS 30 3HZ LYS 30 11.595 12.849 3.207 235 HZ2 LYS 30 1HZ LYS 30 12.320 11.392 3.178 236 HZ3 LYS 30 2HZ LYS 30 13.178 12.763 2.853 237 H ASP 31 H ASP 31 8.704 10.117 -0.507 238 HA ASP 31 HA ASP 31 7.088 11.435 -1.343 239 HB2 ASP 31 2HB ASP 31 9.081 12.915 -1.510 240 HB3 ASP 31 3HB ASP 31 9.218 12.501 -3.217 241 H SER 32 H SER 32 7.066 8.871 -2.346 242 HA SER 32 HA SER 32 5.357 9.194 -4.741 243 HB2 SER 32 2HB SER 32 7.624 8.336 -5.451 244 HB3 SER 32 3HB SER 32 7.347 6.914 -4.422 245 HG SER 32 HG SER 32 6.704 6.631 -6.655 246 H LEU 33 H LEU 33 3.955 7.104 -4.943 247 HA LEU 33 HA LEU 33 2.843 6.658 -2.227 248 HB2 LEU 33 2HB LEU 33 1.388 7.649 -3.991 249 HB3 LEU 33 3HB LEU 33 1.604 6.184 -4.952 250 HG LEU 33 HG LEU 33 0.605 4.876 -3.006 251 HD11 LEU 33 1HD1 LEU 33 0.855 6.542 -1.193 252 HD12 LEU 33 2HD1 LEU 33 -0.221 7.651 -2.061 253 HD13 LEU 33 3HD1 LEU 33 -0.839 6.112 -1.435 254 HD21 LEU 33 3HD2 LEU 33 -1.164 7.027 -4.216 255 HD22 LEU 33 1HD2 LEU 33 -0.681 5.513 -5.033 256 HD23 LEU 33 2HD2 LEU 33 -1.690 5.449 -3.576 257 H ARG 34 H ARG 34 2.905 4.748 -1.236 258 HA ARG 34 HA ARG 34 3.412 2.242 -2.714 259 HB2 ARG 34 2HB ARG 34 5.331 1.614 -1.465 260 HB3 ARG 34 3HB ARG 34 5.620 3.179 -2.219 261 HG2 ARG 34 2HG ARG 34 5.272 4.303 -0.029 262 HG3 ARG 34 3HG ARG 34 4.987 2.722 0.734 263 HD2 ARG 34 2HD ARG 34 7.244 1.966 0.013 264 HD3 ARG 34 3HD ARG 34 7.513 3.539 -0.760 265 HE ARG 34 HE ARG 34 6.900 3.736 2.099 266 HH11 ARG 34 1HH2 ARG 34 9.590 3.486 -0.183 267 HH12 ARG 34 2HH2 ARG 34 10.690 4.157 0.989 268 HH21 ARG 34 1HH1 ARG 34 8.297 4.385 3.454 269 HH22 ARG 34 2HH1 ARG 34 10.040 4.346 3.126 270 H MET 35 H MET 35 3.231 0.357 -1.408 271 HA MET 35 HA MET 35 1.436 0.588 0.933 272 HB2 MET 35 2HB MET 35 0.923 -0.988 -1.621 273 HB3 MET 35 3HB MET 35 0.090 -1.323 -0.091 274 HG2 MET 35 2HG MET 35 -0.756 0.980 -0.040 275 HG3 MET 35 3HG MET 35 0.020 1.309 -1.594 276 HE1 MET 35 3HE MET 35 -3.078 -0.004 0.292 277 HE2 MET 35 1HE MET 35 -3.800 -1.179 -0.828 278 HE3 MET 35 2HE MET 35 -2.251 -1.552 -0.030 279 H ALA 36 H ALA 36 1.217 -1.448 2.112 280 HA ALA 36 HA ALA 36 3.394 -3.358 1.677 281 HB1 ALA 36 1HB ALA 36 3.749 -1.279 3.557 282 HB2 ALA 36 2HB ALA 36 3.424 -2.744 4.509 283 HB3 ALA 36 3HB ALA 36 4.747 -2.726 3.338 284 H ILE 37 H ILE 37 3.222 -5.309 3.062 285 HA ILE 37 HA ILE 37 0.447 -5.803 4.054 286 HB ILE 37 HB ILE 37 2.013 -7.202 1.977 287 HG12 ILE 37 2HG1 ILE 37 -0.936 -7.327 2.727 288 HG13 ILE 37 3HG1 ILE 37 -0.228 -5.966 1.858 289 HG21 ILE 37 1HG2 ILE 37 0.507 -8.908 3.980 290 HG22 ILE 37 2HG2 ILE 37 1.181 -9.425 2.405 291 HG23 ILE 37 3HG2 ILE 37 2.270 -8.913 3.685 292 HD11 ILE 37 3HD1 ILE 37 0.478 -7.455 0.025 293 HD12 ILE 37 1HD1 ILE 37 -0.291 -8.829 0.846 294 HD13 ILE 37 2HD1 ILE 37 -1.278 -7.467 0.273 295 H MET 38 H MET 38 0.174 -6.933 5.876 296 HA MET 38 HA MET 38 2.590 -7.202 7.554 297 HB2 MET 38 2HB MET 38 -0.351 -7.397 8.252 298 HB3 MET 38 3HB MET 38 0.966 -7.247 9.408 299 HG2 MET 38 2HG MET 38 0.529 -5.052 7.365 300 HG3 MET 38 3HG MET 38 -0.553 -5.210 8.716 301 HE1 MET 38 3HE MET 38 3.935 -4.261 8.972 302 HE2 MET 38 1HE MET 38 3.407 -5.957 9.006 303 HE3 MET 38 2HE MET 38 3.034 -4.955 7.589 304 H VAL 39 H VAL 39 3.629 -9.049 7.184 305 HA VAL 39 HA VAL 39 2.059 -11.604 7.378 306 HB VAL 39 HB VAL 39 3.276 -11.475 5.334 307 HG11 VAL 39 1HG1 VAL 39 5.125 -9.980 5.929 308 HG12 VAL 39 2HG1 VAL 39 5.824 -11.235 6.982 309 HG13 VAL 39 3HG1 VAL 39 5.714 -11.496 5.232 310 HG21 VAL 39 3HG2 VAL 39 4.439 -13.574 5.400 311 HG22 VAL 39 1HG2 VAL 39 4.634 -13.487 7.158 312 HG23 VAL 39 2HG2 VAL 39 3.012 -13.674 6.440 313 H GLN 40 H GLN 40 2.428 -13.074 8.914 314 HA GLN 40 HA GLN 40 3.607 -12.198 11.398 315 HB2 GLN 40 2HB GLN 40 3.118 -14.647 12.044 316 HB3 GLN 40 3HB GLN 40 1.778 -13.551 11.724 317 HG2 GLN 40 2HG GLN 40 1.364 -14.501 9.549 318 HG3 GLN 40 3HG GLN 40 2.851 -15.456 9.605 319 HE21 GLN 40 2HE2 GLN 40 -0.400 -15.100 11.143 320 HE22 GLN 40 1HE2 GLN 40 -0.455 -16.767 11.696 321 H SER 41 H SER 41 5.578 -12.382 12.176 322 HA SER 41 HA SER 41 7.638 -13.585 10.437 323 HB2 SER 41 2HB SER 41 7.849 -11.258 10.969 324 HB3 SER 41 3HB SER 41 7.814 -11.615 12.707 325 HG SER 41 HG SER 41 9.948 -11.401 11.373 326 HA PRO 42 HA PRO 42 8.683 -16.627 13.517 327 HB2 PRO 42 2HB PRO 42 11.081 -17.057 11.757 328 HB3 PRO 42 3HB PRO 42 9.956 -18.265 12.440 329 HG2 PRO 42 2HG PRO 42 9.811 -17.542 9.819 330 HG3 PRO 42 3HG PRO 42 8.316 -17.791 10.782 331 HD2 PRO 42 2HD PRO 42 9.701 -15.170 10.124 332 HD3 PRO 42 3HD PRO 42 7.967 -15.603 10.011 333 H MET 43 H MET 43 10.498 -13.843 12.555 334 HA MET 43 HA MET 43 12.587 -14.192 14.657 335 HB2 MET 43 2HB MET 43 12.411 -12.406 12.213 336 HB3 MET 43 3HB MET 43 13.580 -12.157 13.495 337 HG2 MET 43 2HG MET 43 14.664 -13.358 11.771 338 HG3 MET 43 3HG MET 43 14.522 -14.382 13.190 339 HE1 MET 43 3HE MET 43 13.104 -13.576 9.619 340 HE2 MET 43 1HE MET 43 12.011 -14.946 9.321 341 HE3 MET 43 2HE MET 43 11.594 -13.732 10.548 342 H PHE 44 H PHE 44 9.883 -12.080 13.774 343 HA PHE 44 HA PHE 44 10.483 -10.244 16.044 344 HB2 PHE 44 2HB PHE 44 10.431 -9.155 13.902 345 HB3 PHE 44 3HB PHE 44 8.887 -9.881 13.500 346 HD1 PHE 44 HD2 PHE 44 10.462 -7.612 16.063 347 HD2 PHE 44 HD1 PHE 44 6.903 -8.687 13.876 348 HE1 PHE 44 HE2 PHE 44 9.255 -5.686 17.068 349 HE2 PHE 44 HE1 PHE 44 5.704 -6.754 14.872 350 HZ PHE 44 HZ PHE 44 6.876 -5.258 16.478 351 H ASP 45 H ASP 45 8.765 -9.463 17.323 352 HA ASP 45 HA ASP 45 7.017 -11.640 18.232 353 HB2 ASP 45 2HB ASP 45 8.537 -10.419 19.765 354 HB3 ASP 45 3HB ASP 45 7.615 -8.941 19.487 355 H GLY 46 H GLY 46 6.037 -10.963 15.896 356 HA2 GLY 46 2HA GLY 46 3.343 -10.398 15.999 357 HA3 GLY 46 3HA GLY 46 4.084 -8.794 15.920 358 H LYS 47 H LYS 47 3.412 -8.253 13.886 359 HA LYS 47 HA LYS 47 4.366 -9.974 11.630 360 HB2 LYS 47 2HB LYS 47 1.987 -8.135 11.352 361 HB3 LYS 47 3HB LYS 47 2.528 -9.426 10.314 362 HG2 LYS 47 2HG LYS 47 2.131 -10.914 12.521 363 HG3 LYS 47 3HG LYS 47 1.063 -9.580 12.950 364 HD2 LYS 47 2HD LYS 47 1.008 -11.295 10.453 365 HD3 LYS 47 3HD LYS 47 -0.111 -11.427 11.815 366 HE2 LYS 47 2HE LYS 47 0.142 -9.106 9.853 367 HE3 LYS 47 3HE LYS 47 -1.120 -10.328 9.849 368 HZ1 LYS 47 3HZ LYS 47 -1.886 -9.476 12.000 369 HZ2 LYS 47 1HZ LYS 47 -0.703 -8.335 12.042 370 HZ3 LYS 47 2HZ LYS 47 -1.847 -8.257 10.899 371 H VAL 48 H VAL 48 5.065 -9.079 9.750 372 HA VAL 48 HA VAL 48 6.430 -6.441 10.115 373 HB VAL 48 HB VAL 48 8.411 -7.417 9.053 374 HG11 VAL 48 1HG1 VAL 48 8.171 -7.364 11.528 375 HG12 VAL 48 2HG1 VAL 48 7.478 -8.996 11.492 376 HG13 VAL 48 3HG1 VAL 48 9.155 -8.728 10.978 377 HG21 VAL 48 3HG2 VAL 48 8.658 -9.859 8.831 378 HG22 VAL 48 1HG2 VAL 48 6.951 -10.091 9.253 379 HG23 VAL 48 2HG2 VAL 48 7.391 -9.259 7.752 380 HA PRO 49 HA PRO 49 4.724 -5.436 6.281 381 HB2 PRO 49 2HB PRO 49 6.041 -3.162 5.552 382 HB3 PRO 49 3HB PRO 49 5.019 -3.262 7.017 383 HG2 PRO 49 2HG PRO 49 8.034 -3.556 6.825 384 HG3 PRO 49 3HG PRO 49 7.090 -2.558 7.974 385 HD2 PRO 49 2HD PRO 49 8.033 -5.053 8.612 386 HD3 PRO 49 3HD PRO 49 6.484 -4.423 9.249 387 H HIS 50 H HIS 50 4.766 -6.326 4.315 388 HA HIS 50 HA HIS 50 7.313 -6.484 2.742 389 HB2 HIS 50 2HB HIS 50 4.625 -7.885 2.590 390 HB3 HIS 50 3HB HIS 50 5.666 -7.781 1.179 391 HD2 HIS 50 HD2 HIS 50 7.038 -8.326 4.732 392 HE1 HIS 50 HE1 HIS 50 7.811 -11.901 2.540 393 HE2 HIS 50 HE2 HIS 50 8.269 -10.672 4.722 394 H TRP 51 H TRP 51 7.701 -4.506 1.866 395 HA TRP 51 HA TRP 51 5.529 -2.745 1.102 396 HB2 TRP 51 2HB TRP 51 8.523 -2.504 0.690 397 HB3 TRP 51 3HB TRP 51 7.335 -1.250 0.360 398 HD1 TRP 51 HD1 TRP 51 9.285 -2.816 3.166 399 HE1 TRP 51 HE1 TRP 51 8.903 -1.532 5.351 400 HE3 TRP 51 HE3 TRP 51 5.436 0.237 1.660 401 HZ2 TRP 51 HZ2 TRP 51 7.116 0.477 6.351 402 HZ3 TRP 51 HZ3 TRP 51 4.348 1.765 3.321 403 HH2 TRP 51 HH2 TRP 51 5.240 1.937 5.630 404 H TYR 52 H TYR 52 4.942 -2.099 -0.937 405 HA TYR 52 HA TYR 52 6.425 -2.965 -3.290 406 HB2 TYR 52 2HB TYR 52 3.566 -3.470 -3.720 407 HB3 TYR 52 3HB TYR 52 5.010 -4.331 -4.249 408 HD1 TYR 52 HD2 TYR 52 2.916 -3.949 -1.116 409 HD2 TYR 52 HD1 TYR 52 5.312 -6.491 -3.631 410 HE1 TYR 52 HE2 TYR 52 2.226 -5.954 0.223 411 HE2 TYR 52 HE1 TYR 52 4.611 -8.477 -2.303 412 HH TYR 52 HH TYR 52 3.428 -9.239 -0.526 413 H HIS 53 H HIS 53 5.714 -1.767 -5.219 414 HA HIS 53 HA HIS 53 4.950 0.991 -4.814 415 HB2 HIS 53 2HB HIS 53 4.582 -0.719 -7.309 416 HB3 HIS 53 3HB HIS 53 4.488 1.020 -7.238 417 HD2 HIS 53 HD2 HIS 53 6.804 2.389 -6.590 418 HE1 HIS 53 HE1 HIS 53 9.369 -0.561 -8.262 419 HE2 HIS 53 HE2 HIS 53 9.209 1.848 -7.502 420 H PHE 54 H PHE 54 2.881 2.054 -5.370 421 HA PHE 54 HA PHE 54 0.611 0.980 -4.159 422 HB2 PHE 54 2HB PHE 54 0.624 3.282 -4.594 423 HB3 PHE 54 3HB PHE 54 0.956 3.074 -6.307 424 HD1 PHE 54 HD2 PHE 54 -1.742 2.406 -3.731 425 HD2 PHE 54 HD1 PHE 54 -0.787 3.053 -7.893 426 HE1 PHE 54 HE2 PHE 54 -4.154 2.341 -4.307 427 HE2 PHE 54 HE1 PHE 54 -3.207 3.009 -8.448 428 HZ PHE 54 HZ PHE 54 -4.885 2.637 -6.660 429 H SER 55 H SER 55 1.494 0.693 -7.659 430 HA SER 55 HA SER 55 -0.981 -0.658 -8.384 431 HB2 SER 55 2HB SER 55 0.142 -0.889 -10.571 432 HB3 SER 55 3HB SER 55 0.121 0.779 -9.974 433 HG SER 55 HG SER 55 2.193 0.247 -10.751 434 H CYS 56 HN CYS 56 2.331 -1.634 -7.566 435 HA CYS 56 HA CYS 56 2.157 -4.326 -8.309 436 HB2 CYS 56 2HB CYS 56 3.866 -2.860 -6.290 437 HB3 CYS 56 3HB CYS 56 4.097 -4.555 -6.691 438 H PHE 57 H PHE 57 1.187 -2.778 -5.255 439 HA PHE 57 HA PHE 57 0.619 -5.022 -3.629 440 HB2 PHE 57 2HB PHE 57 0.458 -2.718 -2.890 441 HB3 PHE 57 3HB PHE 57 -0.919 -2.426 -3.951 442 HD1 PHE 57 HD1 PHE 57 -3.086 -3.727 -3.577 443 HD2 PHE 57 HD2 PHE 57 0.124 -3.667 -0.695 444 HE1 PHE 57 HE1 PHE 57 -4.604 -4.665 -1.877 445 HE2 PHE 57 HE2 PHE 57 -1.465 -4.415 1.058 446 HZ PHE 57 HZ PHE 57 -3.810 -4.995 0.455 447 H TRP 58 H TRP 58 -1.463 -3.497 -6.152 448 HA TRP 58 HA TRP 58 -3.552 -5.458 -5.848 449 HB2 TRP 58 2HB TRP 58 -3.080 -3.550 -8.132 450 HB3 TRP 58 3HB TRP 58 -4.583 -4.347 -7.709 451 HD1 TRP 58 HD1 TRP 58 -2.666 -1.278 -7.189 452 HE1 TRP 58 HE1 TRP 58 -3.497 0.195 -5.286 453 HE3 TRP 58 HE3 TRP 58 -6.150 -4.471 -5.141 454 HZ2 TRP 58 HZ2 TRP 58 -5.465 0.037 -3.145 455 HZ3 TRP 58 HZ3 TRP 58 -7.489 -3.752 -3.222 456 HH2 TRP 58 HH2 TRP 58 -7.146 -1.506 -2.209 457 H LYS 59 H LYS 59 -0.565 -5.536 -7.661 458 HA LYS 59 HA LYS 59 -1.282 -7.793 -9.384 459 HB2 LYS 59 2HB LYS 59 1.454 -6.946 -8.462 460 HB3 LYS 59 3HB LYS 59 1.095 -8.098 -9.738 461 HG2 LYS 59 2HG LYS 59 0.132 -6.378 -11.140 462 HG3 LYS 59 3HG LYS 59 0.227 -5.203 -9.820 463 HD2 LYS 59 2HD LYS 59 2.799 -5.685 -9.836 464 HD3 LYS 59 3HD LYS 59 2.508 -6.384 -11.441 465 HE2 LYS 59 2HE LYS 59 1.638 -4.338 -12.283 466 HE3 LYS 59 3HE LYS 59 1.362 -3.696 -10.655 467 HZ1 LYS 59 3HZ LYS 59 3.318 -2.710 -11.764 468 HZ2 LYS 59 1HZ LYS 59 3.719 -3.435 -10.337 469 HZ3 LYS 59 2HZ LYS 59 4.070 -4.161 -11.770 470 H VAL 60 H VAL 60 -0.333 -7.432 -5.986 471 HA VAL 60 HA VAL 60 0.254 -10.262 -5.563 472 HB VAL 60 HB VAL 60 -0.785 -8.371 -3.434 473 HG11 VAL 60 1HG1 VAL 60 -0.622 -10.738 -2.733 474 HG12 VAL 60 2HG1 VAL 60 1.060 -10.796 -3.294 475 HG13 VAL 60 3HG1 VAL 60 0.600 -9.759 -1.929 476 HG21 VAL 60 3HG2 VAL 60 1.169 -7.275 -4.499 477 HG22 VAL 60 1HG2 VAL 60 1.534 -7.834 -2.884 478 HG23 VAL 60 2HG2 VAL 60 2.122 -8.759 -4.282 479 H GLY 61 H GLY 61 -2.690 -8.471 -6.015 480 HA2 GLY 61 2HA GLY 61 -4.681 -9.398 -6.718 481 HA3 GLY 61 3HA GLY 61 -4.172 -10.988 -6.158 482 H HIS 62 H HIS 62 -3.963 -8.512 -3.730 483 HA HIS 62 HA HIS 62 -6.240 -9.617 -2.228 484 HB2 HIS 62 2HB HIS 62 -4.311 -7.339 -1.661 485 HB3 HIS 62 3HB HIS 62 -5.650 -7.774 -0.606 486 HD2 HIS 62 HD2 HIS 62 -2.278 -9.169 -1.865 487 HE1 HIS 62 HE1 HIS 62 -3.325 -11.381 1.622 488 HE2 HIS 62 HE2 HIS 62 -1.513 -10.989 -0.119 489 H SER 63 H SER 63 -8.272 -8.936 -2.339 490 HA SER 63 HA SER 63 -8.935 -6.186 -3.338 491 HB2 SER 63 2HB SER 63 -10.707 -8.628 -2.937 492 HB3 SER 63 3HB SER 63 -11.273 -7.013 -3.405 493 HG SER 63 HG SER 63 -10.910 -8.462 -5.201 494 H ILE 64 H ILE 64 -9.415 -4.686 -1.848 495 HA ILE 64 HA ILE 64 -9.280 -5.538 0.995 496 HB ILE 64 HB ILE 64 -8.895 -2.819 -0.278 497 HG12 ILE 64 2HG1 ILE 64 -6.812 -4.820 0.685 498 HG13 ILE 64 3HG1 ILE 64 -7.096 -4.303 -0.976 499 HG21 ILE 64 1HG2 ILE 64 -8.267 -3.744 2.564 500 HG22 ILE 64 2HG2 ILE 64 -8.007 -2.127 1.888 501 HG23 ILE 64 3HG2 ILE 64 -9.652 -2.719 2.102 502 HD11 ILE 64 3HD1 ILE 64 -5.297 -2.956 -0.407 503 HD12 ILE 64 1HD1 ILE 64 -6.631 -1.876 -0.038 504 HD13 ILE 64 2HD1 ILE 64 -5.817 -2.776 1.268 505 H ARG 65 H ARG 65 -11.122 -5.682 2.068 506 HA ARG 65 HA ARG 65 -13.579 -4.801 0.748 507 HB2 ARG 65 2HB ARG 65 -14.627 -6.118 2.761 508 HB3 ARG 65 3HB ARG 65 -13.912 -6.957 1.401 509 HG2 ARG 65 2HG ARG 65 -12.213 -6.412 3.845 510 HG3 ARG 65 3HG ARG 65 -13.423 -7.692 3.895 511 HD2 ARG 65 2HD ARG 65 -12.437 -8.917 2.116 512 HD3 ARG 65 3HD ARG 65 -11.409 -7.578 1.630 513 HE ARG 65 HE ARG 65 -11.089 -8.912 4.296 514 HH11 ARG 65 1HH2 ARG 65 -9.535 -8.100 1.203 515 HH12 ARG 65 2HH2 ARG 65 -7.956 -8.368 1.905 516 HH21 ARG 65 1HH1 ARG 65 -8.996 -9.343 4.963 517 HH22 ARG 65 2HH1 ARG 65 -7.680 -9.076 3.845 518 H HIS 66 H HIS 66 -11.753 -3.652 3.357 519 HA HIS 66 HA HIS 66 -13.538 -1.359 3.739 520 HB2 HIS 66 2HB HIS 66 -13.451 -1.605 6.253 521 HB3 HIS 66 3HB HIS 66 -14.588 -2.583 5.361 522 HD2 HIS 66 HD2 HIS 66 -11.072 -4.104 5.460 523 HE1 HIS 66 HE1 HIS 66 -13.384 -6.138 8.403 524 HE2 HIS 66 HE2 HIS 66 -11.183 -6.131 7.130 525 HA PRO 67 HA PRO 67 -9.040 -0.839 3.467 526 HB2 PRO 67 2HB PRO 67 -8.920 1.483 1.925 527 HB3 PRO 67 3HB PRO 67 -9.136 -0.159 1.252 528 HG2 PRO 67 2HG PRO 67 -11.285 1.865 1.933 529 HG3 PRO 67 3HG PRO 67 -11.094 0.922 0.418 530 HD2 PRO 67 2HD PRO 67 -12.807 0.125 2.330 531 HD3 PRO 67 3HD PRO 67 -11.789 -1.087 1.491 532 H ASP 68 H ASP 68 -11.292 1.708 4.500 533 HA ASP 68 HA ASP 68 -9.268 3.294 5.804 534 HB2 ASP 68 2HB ASP 68 -11.429 4.209 5.089 535 HB3 ASP 68 3HB ASP 68 -12.292 3.082 6.133 536 H VAL 69 H VAL 69 -10.612 0.249 6.581 537 HA VAL 69 HA VAL 69 -10.211 0.502 9.509 538 HB VAL 69 HB VAL 69 -11.437 -1.777 7.912 539 HG11 VAL 69 1HG1 VAL 69 -11.439 -1.202 10.900 540 HG12 VAL 69 2HG1 VAL 69 -12.367 -2.484 10.089 541 HG13 VAL 69 3HG1 VAL 69 -10.606 -2.543 10.080 542 HG21 VAL 69 3HG2 VAL 69 -12.786 0.475 9.466 543 HG22 VAL 69 1HG2 VAL 69 -12.845 0.232 7.706 544 HG23 VAL 69 2HG2 VAL 69 -13.610 -0.943 8.776 545 H GLU 70 H GLU 70 -9.050 -1.283 6.657 546 HA GLU 70 HA GLU 70 -7.027 -2.670 8.379 547 HB2 GLU 70 2HB GLU 70 -8.403 -3.431 5.795 548 HB3 GLU 70 3HB GLU 70 -6.916 -4.225 6.295 549 HG2 GLU 70 2HG GLU 70 -9.448 -4.109 7.967 550 HG3 GLU 70 3HG GLU 70 -8.944 -5.469 6.960 551 H VAL 71 H VAL 71 -7.096 -0.389 5.714 552 HA VAL 71 HA VAL 71 -4.178 -0.736 5.200 553 HB VAL 71 HB VAL 71 -5.973 1.367 4.029 554 HG11 VAL 71 1HG1 VAL 71 -3.279 0.153 3.274 555 HG12 VAL 71 2HG1 VAL 71 -4.152 1.473 2.446 556 HG13 VAL 71 3HG1 VAL 71 -3.502 1.713 4.089 557 HG21 VAL 71 3HG2 VAL 71 -5.138 -1.398 3.022 558 HG22 VAL 71 1HG2 VAL 71 -6.791 -0.891 3.380 559 HG23 VAL 71 2HG2 VAL 71 -5.927 -0.143 2.028 560 H ASP 72 H ASP 72 -3.158 -0.341 7.020 561 HA ASP 72 HA ASP 72 -3.436 1.953 8.726 562 HB2 ASP 72 2HB ASP 72 -2.261 -0.129 9.272 563 HB3 ASP 72 3HB ASP 72 -1.050 0.190 8.031 564 H GLY 73 H GLY 73 -2.501 3.989 8.598 565 HA2 GLY 73 2HA GLY 73 -1.255 5.774 7.765 566 HA3 GLY 73 3HA GLY 73 -0.567 4.723 6.528 567 H PHE 74 H PHE 74 -3.885 4.331 6.265 568 HA PHE 74 HA PHE 74 -4.272 5.897 3.920 569 HB2 PHE 74 2HB PHE 74 -5.605 3.942 4.603 570 HB3 PHE 74 3HB PHE 74 -6.252 4.834 5.975 571 HD1 PHE 74 HD2 PHE 74 -6.186 4.608 2.254 572 HD2 PHE 74 HD1 PHE 74 -8.129 6.325 5.704 573 HE1 PHE 74 HE2 PHE 74 -8.048 5.423 0.816 574 HE2 PHE 74 HE1 PHE 74 -9.985 7.127 4.256 575 HZ PHE 74 HZ PHE 74 -9.907 6.718 1.813 576 H SER 75 H SER 75 -4.484 6.800 7.312 577 HA SER 75 HA SER 75 -5.743 9.379 7.032 578 HB2 SER 75 2HB SER 75 -4.658 9.706 9.307 579 HB3 SER 75 3HB SER 75 -5.770 8.329 9.161 580 HG SER 75 HG SER 75 -3.790 7.778 10.226 581 H GLU 76 H GLU 76 -2.479 8.290 6.324 582 HA GLU 76 HA GLU 76 -1.265 10.945 6.661 583 HB2 GLU 76 2HB GLU 76 -0.140 8.411 5.399 584 HB3 GLU 76 3HB GLU 76 0.759 9.876 5.771 585 HG2 GLU 76 2HG GLU 76 0.404 9.576 8.166 586 HG3 GLU 76 3HG GLU 76 -0.642 8.182 7.880 587 H LEU 77 H LEU 77 -3.012 9.322 4.196 588 HA LEU 77 HA LEU 77 -1.872 10.675 1.873 589 HB2 LEU 77 2HB LEU 77 -4.481 9.166 2.238 590 HB3 LEU 77 3HB LEU 77 -3.788 9.655 0.697 591 HG LEU 77 HG LEU 77 -2.655 7.587 2.628 592 HD11 LEU 77 1HD1 LEU 77 -3.929 7.367 -0.135 593 HD12 LEU 77 2HD1 LEU 77 -3.236 6.026 0.788 594 HD13 LEU 77 3HD1 LEU 77 -4.665 6.871 1.403 595 HD21 LEU 77 3HD2 LEU 77 -0.806 8.726 1.446 596 HD22 LEU 77 1HD2 LEU 77 -1.022 7.075 0.864 597 HD23 LEU 77 2HD2 LEU 77 -1.626 8.438 -0.106 598 H ARG 78 H ARG 78 -2.940 12.201 0.545 599 HA ARG 78 HA ARG 78 -4.874 14.030 1.863 600 HB2 ARG 78 2HB ARG 78 -3.372 14.101 -0.789 601 HB3 ARG 78 3HB ARG 78 -4.710 15.191 -0.484 602 HG2 ARG 78 2HG ARG 78 -2.261 15.012 1.322 603 HG3 ARG 78 3HG ARG 78 -2.463 16.171 0.001 604 HD2 ARG 78 2HD ARG 78 -4.559 17.025 1.097 605 HD3 ARG 78 3HD ARG 78 -4.291 15.923 2.435 606 HE ARG 78 HE ARG 78 -2.556 17.233 3.253 607 HH11 ARG 78 1HH2 ARG 78 -3.467 18.563 0.134 608 HH12 ARG 78 2HH2 ARG 78 -2.545 20.019 0.393 609 HH21 ARG 78 1HH1 ARG 78 -1.408 19.108 3.504 610 HH22 ARG 78 2HH1 ARG 78 -1.412 20.310 2.249 611 H TRP 79 H TRP 79 -6.778 14.711 0.712 612 HA TRP 79 HA TRP 79 -8.602 12.665 0.620 613 HB2 TRP 79 2HB TRP 79 -9.733 14.559 0.938 614 HB3 TRP 79 3HB TRP 79 -8.594 15.527 0.024 615 HD1 TRP 79 HD1 TRP 79 -11.868 13.618 -0.429 616 HE1 TRP 79 HE1 TRP 79 -12.908 14.243 -2.697 617 HE3 TRP 79 HE3 TRP 79 -8.001 16.334 -2.346 618 HZ2 TRP 79 HZ2 TRP 79 -12.160 15.782 -5.039 619 HZ3 TRP 79 HZ3 TRP 79 -8.156 17.346 -4.613 620 HH2 TRP 79 HH2 TRP 79 -10.232 17.081 -5.966 621 H ASP 80 H ASP 80 -6.864 13.970 -2.217 622 HA ASP 80 HA ASP 80 -8.466 12.597 -4.136 623 HB2 ASP 80 2HB ASP 80 -7.089 14.620 -4.588 624 HB3 ASP 80 3HB ASP 80 -5.637 13.619 -4.474 625 H ASP 81 H ASP 81 -5.678 11.474 -2.269 626 HA ASP 81 HA ASP 81 -5.487 9.040 -3.918 627 HB2 ASP 81 2HB ASP 81 -3.767 9.958 -1.629 628 HB3 ASP 81 3HB ASP 81 -3.676 8.369 -2.417 629 H GLN 82 H GLN 82 -6.695 10.177 -0.749 630 HA GLN 82 HA GLN 82 -7.473 7.624 0.246 631 HB2 GLN 82 2HB GLN 82 -8.661 10.403 0.551 632 HB3 GLN 82 3HB GLN 82 -9.391 8.988 1.316 633 HG2 GLN 82 2HG GLN 82 -7.265 8.459 2.440 634 HG3 GLN 82 3HG GLN 82 -6.515 9.886 1.712 635 HE21 GLN 82 2HE2 GLN 82 -6.550 9.496 4.489 636 HE22 GLN 82 1HE2 GLN 82 -7.578 10.756 5.187 637 H GLN 83 H GLN 83 -9.321 9.864 -1.943 638 HA GLN 83 HA GLN 83 -11.410 7.941 -2.293 639 HB2 GLN 83 2HB GLN 83 -12.325 9.341 -3.959 640 HB3 GLN 83 3HB GLN 83 -11.720 10.339 -2.636 641 HG2 GLN 83 2HG GLN 83 -9.689 10.831 -4.016 642 HG3 GLN 83 3HG GLN 83 -10.396 9.942 -5.361 643 HE21 GLN 83 2HE2 GLN 83 -9.751 12.548 -5.975 644 HE22 GLN 83 1HE2 GLN 83 -11.208 13.522 -5.943 645 H LYS 84 H LYS 84 -8.280 8.184 -4.055 646 HA LYS 84 HA LYS 84 -9.230 6.403 -6.154 647 HB2 LYS 84 2HB LYS 84 -7.277 6.759 -7.230 648 HB3 LYS 84 3HB LYS 84 -7.514 8.288 -6.385 649 HG2 LYS 84 2HG LYS 84 -5.347 8.076 -6.015 650 HG3 LYS 84 3HG LYS 84 -5.876 7.119 -4.625 651 HD2 LYS 84 2HD LYS 84 -5.513 5.060 -5.785 652 HD3 LYS 84 3HD LYS 84 -5.189 5.889 -7.313 653 HE2 LYS 84 2HE LYS 84 -3.479 6.049 -4.793 654 HE3 LYS 84 3HE LYS 84 -3.119 5.093 -6.231 655 HZ1 LYS 84 3HZ LYS 84 -3.106 8.042 -5.977 656 HZ2 LYS 84 1HZ LYS 84 -1.898 7.076 -6.468 657 HZ3 LYS 84 2HZ LYS 84 -3.172 7.314 -7.461 658 H VAL 85 H VAL 85 -7.384 6.114 -3.145 659 HA VAL 85 HA VAL 85 -6.780 3.300 -3.575 660 HB VAL 85 HB VAL 85 -6.810 5.062 -1.099 661 HG11 VAL 85 1HG1 VAL 85 -7.211 2.817 -0.225 662 HG12 VAL 85 2HG1 VAL 85 -5.900 2.152 -1.238 663 HG13 VAL 85 3HG1 VAL 85 -5.541 3.280 0.083 664 HG21 VAL 85 3HG2 VAL 85 -4.411 5.002 -1.323 665 HG22 VAL 85 1HG2 VAL 85 -4.490 3.752 -2.576 666 HG23 VAL 85 2HG2 VAL 85 -5.058 5.394 -2.926 667 H LYS 86 H LYS 86 -9.475 5.014 -1.891 668 HA LYS 86 HA LYS 86 -10.961 2.633 -1.238 669 HB2 LYS 86 2HB LYS 86 -11.854 5.498 -1.758 670 HB3 LYS 86 3HB LYS 86 -12.948 4.200 -1.265 671 HG2 LYS 86 2HG LYS 86 -11.606 3.834 0.799 672 HG3 LYS 86 3HG LYS 86 -10.516 5.125 0.326 673 HD2 LYS 86 2HD LYS 86 -12.023 6.054 1.927 674 HD3 LYS 86 3HD LYS 86 -12.504 6.714 0.355 675 HE2 LYS 86 2HE LYS 86 -14.296 4.943 0.246 676 HE3 LYS 86 3HE LYS 86 -13.767 4.362 1.834 677 HZ1 LYS 86 3HZ LYS 86 -15.667 5.869 2.026 678 HZ2 LYS 86 1HZ LYS 86 -14.371 6.535 2.758 679 HZ3 LYS 86 2HZ LYS 86 -14.854 7.079 1.293 680 H LYS 87 H LYS 87 -11.152 4.711 -4.200 681 HA LYS 87 HA LYS 87 -13.097 3.016 -5.497 682 HB2 LYS 87 2HB LYS 87 -11.294 5.239 -6.395 683 HB3 LYS 87 3HB LYS 87 -11.766 4.088 -7.622 684 HG2 LYS 87 2HG LYS 87 -13.329 5.894 -7.654 685 HG3 LYS 87 3HG LYS 87 -14.134 4.408 -7.153 686 HD2 LYS 87 2HD LYS 87 -14.035 5.199 -4.765 687 HD3 LYS 87 3HD LYS 87 -13.298 6.713 -5.341 688 HE2 LYS 87 2HE LYS 87 -15.277 7.134 -6.773 689 HE3 LYS 87 3HE LYS 87 -16.014 5.631 -6.207 690 HZ1 LYS 87 3HZ LYS 87 -16.854 7.548 -4.979 691 HZ2 LYS 87 1HZ LYS 87 -16.043 6.570 -3.955 692 HZ3 LYS 87 2HZ LYS 87 -15.358 7.962 -4.480 693 H THR 88 H THR 88 -9.514 2.870 -5.626 694 HA THR 88 HA THR 88 -9.433 0.709 -7.466 695 HB THR 88 HB THR 88 -7.351 1.454 -5.392 696 HG1 THR 88 1HG THR 88 -7.748 3.157 -6.726 697 HG21 THR 88 1HG2 THR 88 -7.246 -0.118 -7.994 698 HG22 THR 88 2HG2 THR 88 -5.815 0.452 -7.109 699 HG23 THR 88 3HG2 THR 88 -6.896 -0.739 -6.368 700 H ALA 89 H ALA 89 -9.767 0.692 -3.902 701 HA ALA 89 HA ALA 89 -9.463 -2.165 -3.599 702 HB1 ALA 89 1HB ALA 89 -10.763 -0.009 -1.879 703 HB2 ALA 89 2HB ALA 89 -10.432 -1.671 -1.374 704 HB3 ALA 89 3HB ALA 89 -9.086 -0.589 -1.771 705 H GLU 90 H GLU 90 -12.260 0.057 -4.030 706 HA GLU 90 HA GLU 90 -14.257 -2.002 -3.979 707 HB2 GLU 90 2HB GLU 90 -14.200 0.817 -5.112 708 HB3 GLU 90 3HB GLU 90 -15.635 -0.194 -5.216 709 HG2 GLU 90 2HG GLU 90 -14.288 0.437 -2.560 710 HG3 GLU 90 3HG GLU 90 -15.518 1.466 -3.286 711 H ALA 91 H ALA 91 -12.287 -0.681 -6.575 712 HA ALA 91 HA ALA 91 -13.553 -2.080 -8.745 713 HB1 ALA 91 1HB ALA 91 -10.848 -0.693 -8.438 714 HB2 ALA 91 2HB ALA 91 -11.573 -1.195 -9.984 715 HB3 ALA 91 3HB ALA 91 -12.353 0.052 -8.990 716 H GLY 92 H GLY 92 -11.650 -3.357 -6.252 717 HA2 GLY 92 2HA GLY 92 -10.685 -5.421 -5.949 718 HA3 GLY 92 3HA GLY 92 -11.256 -5.917 -7.548 719 H GLY 93 H GLY 93 -9.198 -3.080 -7.111 720 HA2 GLY 93 2HA GLY 93 -6.899 -2.879 -7.148 721 HA3 GLY 93 3HA GLY 93 -6.713 -4.529 -7.729 722 H VAL 94 H VAL 94 -5.572 -1.955 -8.555 723 HA VAL 94 HA VAL 94 -5.957 -2.255 -11.495 724 HB VAL 94 HB VAL 94 -5.684 0.393 -10.021 725 HG11 VAL 94 1HG1 VAL 94 -4.227 0.480 -11.997 726 HG12 VAL 94 2HG1 VAL 94 -5.504 -0.226 -13.007 727 HG13 VAL 94 3HG1 VAL 94 -5.694 1.405 -12.320 728 HG21 VAL 94 3HG2 VAL 94 -7.803 -0.677 -11.943 729 HG22 VAL 94 1HG2 VAL 94 -8.010 -0.468 -10.194 730 HG23 VAL 94 2HG2 VAL 94 -7.774 0.949 -11.221 731 H THR 95 H THR 95 -4.143 -2.449 -12.619 732 HA THR 95 HA THR 95 -1.541 -2.375 -11.160 733 HB THR 95 HB THR 95 -0.880 -4.300 -12.483 734 HG1 THR 95 1HG THR 95 -2.442 -5.335 -13.775 735 HG21 THR 95 1HG2 THR 95 -3.636 -4.791 -11.254 736 HG22 THR 95 2HG2 THR 95 -2.323 -5.973 -11.454 737 HG23 THR 95 3HG2 THR 95 -2.139 -4.620 -10.317 738 H GLY 96 H GLY 96 0.394 -2.115 -12.524 739 HA2 GLY 96 2HA GLY 96 0.205 -0.820 -15.109 740 HA3 GLY 96 3HA GLY 96 0.456 0.329 -13.794 741 H LYS 97 H LYS 97 2.322 0.071 -15.804 742 HA LYS 97 HA LYS 97 4.396 -1.886 -15.257 743 HB2 LYS 97 2HB LYS 97 4.332 0.540 -17.100 744 HB3 LYS 97 3HB LYS 97 5.630 -0.658 -17.059 745 HG2 LYS 97 2HG LYS 97 4.009 -2.452 -17.644 746 HG3 LYS 97 3HG LYS 97 2.716 -1.243 -17.751 747 HD2 LYS 97 2HD LYS 97 3.956 -0.068 -19.552 748 HD3 LYS 97 3HD LYS 97 5.247 -1.288 -19.454 749 HE2 LYS 97 2HE LYS 97 3.603 -3.066 -20.021 750 HE3 LYS 97 3HE LYS 97 2.320 -1.855 -20.117 751 HZ1 LYS 97 3HZ LYS 97 3.214 -2.371 -22.314 752 HZ2 LYS 97 1HZ LYS 97 3.533 -0.811 -21.959 753 HZ3 LYS 97 2HZ LYS 97 4.720 -1.932 -21.870 754 H GLY 98 H GLY 98 6.639 -1.417 -14.918 755 HA2 GLY 98 2HA GLY 98 7.208 0.191 -12.583 756 HA3 GLY 98 3HA GLY 98 8.370 -0.693 -13.566 757 H GLN 99 H GLN 99 9.326 1.542 -12.637 758 HA GLN 99 HA GLN 99 9.372 3.493 -14.869 759 HB2 GLN 99 2HB GLN 99 7.596 4.168 -13.241 760 HB3 GLN 99 3HB GLN 99 8.806 4.225 -11.963 761 HG2 GLN 99 2HG GLN 99 8.218 6.459 -12.825 762 HG3 GLN 99 3HG GLN 99 9.924 6.116 -13.046 763 HE21 GLN 99 2HE2 GLN 99 6.795 6.479 -14.760 764 HE22 GLN 99 1HE2 GLN 99 7.531 6.625 -16.350 765 H ASP 100 H ASP 100 11.191 4.917 -14.870 766 HA ASP 100 HA ASP 100 13.653 3.629 -14.263 767 HB2 ASP 100 2HB ASP 100 13.186 5.185 -16.146 768 HB3 ASP 100 3HB ASP 100 13.078 6.524 -15.004 769 H GLY 101 H GLY 101 11.788 5.851 -12.304 770 HA2 GLY 101 2HA GLY 101 13.896 6.625 -10.444 771 HA3 GLY 101 3HA GLY 101 12.153 6.793 -10.209 772 H ILE 102 H ILE 102 14.890 4.641 -9.966 773 HA ILE 102 HA ILE 102 13.375 2.606 -8.450 774 HB ILE 102 HB ILE 102 14.619 2.076 -10.539 775 HG12 ILE 102 2HG1 ILE 102 15.725 0.467 -8.215 776 HG13 ILE 102 3HG1 ILE 102 14.035 0.403 -8.728 777 HG21 ILE 102 1HG2 ILE 102 17.056 1.889 -10.539 778 HG22 ILE 102 2HG2 ILE 102 16.594 3.546 -10.164 779 HG23 ILE 102 3HG2 ILE 102 17.139 2.463 -8.864 780 HD11 ILE 102 3HD1 ILE 102 16.445 -0.322 -10.443 781 HD12 ILE 102 1HD1 ILE 102 15.280 -1.437 -9.714 782 HD13 ILE 102 2HD1 ILE 102 14.751 -0.325 -10.992 783 H GLY 103 H GLY 103 14.904 5.268 -7.468 784 HA2 GLY 103 2HA GLY 103 14.883 4.519 -4.781 785 HA3 GLY 103 3HA GLY 103 16.559 4.335 -5.309 786 H SER 104 H SER 104 16.233 6.054 -3.348 787 HA SER 104 HA SER 104 16.798 8.710 -4.486 788 HB2 SER 104 2HB SER 104 15.129 9.828 -3.027 789 HB3 SER 104 3HB SER 104 14.375 8.793 -4.245 790 HG SER 104 HG SER 104 14.830 8.132 -1.507 791 H LYS 105 H LYS 105 17.766 10.165 -3.004 792 HA LYS 105 HA LYS 105 18.463 9.217 -0.280 793 HB2 LYS 105 2HB LYS 105 20.332 8.554 -1.790 794 HB3 LYS 105 3HB LYS 105 20.523 10.244 -2.279 795 HG2 LYS 105 2HG LYS 105 21.106 10.862 0.053 796 HG3 LYS 105 3HG LYS 105 20.780 9.207 0.584 797 HD2 LYS 105 2HD LYS 105 23.163 9.525 0.412 798 HD3 LYS 105 3HD LYS 105 22.648 8.386 -0.840 799 HE2 LYS 105 2HE LYS 105 22.708 10.211 -2.528 800 HE3 LYS 105 3HE LYS 105 23.164 11.369 -1.270 801 HZ1 LYS 105 3HZ LYS 105 25.106 10.575 -2.493 802 HZ2 LYS 105 1HZ LYS 105 25.217 10.096 -0.939 803 HZ3 LYS 105 2HZ LYS 105 24.795 9.023 -2.098 804 H ALA 106 H ALA 106 18.439 10.815 1.223 805 HA ALA 106 HA ALA 106 18.686 13.616 0.654 806 HB1 ALA 106 1HB ALA 106 15.970 12.482 1.497 807 HB2 ALA 106 2HB ALA 106 16.402 14.205 1.448 808 HB3 ALA 106 3HB ALA 106 16.327 13.274 -0.056 809 H GLU 107 H GLU 107 18.941 14.754 2.550 810 HA GLU 107 HA GLU 107 19.871 13.327 4.908 811 HB2 GLU 107 2HB GLU 107 19.417 16.298 4.415 812 HB3 GLU 107 3HB GLU 107 20.246 15.627 5.815 813 HG2 GLU 107 2HG GLU 107 21.175 15.366 2.921 814 HG3 GLU 107 3HG GLU 107 21.809 16.488 4.115 815 H LYS 108 H LYS 108 16.771 14.480 4.019 816 HA LYS 108 HA LYS 108 15.609 13.879 6.683 817 HB2 LYS 108 2HB LYS 108 15.009 16.361 5.011 818 HB3 LYS 108 3HB LYS 108 14.052 15.833 6.387 819 HG2 LYS 108 2HG LYS 108 16.975 16.696 6.528 820 HG3 LYS 108 3HG LYS 108 15.581 17.699 6.919 821 HD2 LYS 108 2HD LYS 108 14.938 16.153 8.744 822 HD3 LYS 108 3HD LYS 108 16.347 15.134 8.384 823 HE2 LYS 108 2HE LYS 108 17.853 17.058 8.820 824 HE3 LYS 108 3HE LYS 108 16.453 18.069 9.202 825 HZ1 LYS 108 3HZ LYS 108 17.254 15.630 10.700 826 HZ2 LYS 108 1HZ LYS 108 17.465 17.163 11.214 827 HZ3 LYS 108 2HZ LYS 108 15.958 16.561 11.055 Start of MODEL 4 1 H1 MET 1 H1 MET 1 -7.746 -7.002 17.316 2 H2 MET 1 H2 MET 1 -6.733 -8.283 17.501 3 H3 MET 1 H3 MET 1 -6.291 -7.005 16.561 4 HA MET 1 HA MET 1 -6.170 -5.538 18.393 5 HB2 MET 1 2HB MET 1 -7.965 -6.537 19.743 6 HB3 MET 1 3HB MET 1 -6.959 -7.950 20.083 7 HG2 MET 1 2HG MET 1 -6.981 -6.342 21.948 8 HG3 MET 1 3HG MET 1 -5.358 -6.574 21.307 9 HE1 MET 1 1HE MET 1 -4.433 -4.479 22.567 10 HE2 MET 1 2HE MET 1 -5.205 -2.877 22.533 11 HE3 MET 1 3HE MET 1 -6.041 -4.248 23.296 12 H ALA 2 H ALA 2 -4.079 -5.123 18.465 13 HA ALA 2 HA ALA 2 -2.159 -6.960 19.622 14 HB1 ALA 2 1HB ALA 2 -0.619 -6.988 17.694 15 HB2 ALA 2 2HB ALA 2 -2.156 -7.742 17.252 16 HB3 ALA 2 3HB ALA 2 -1.789 -6.093 16.710 17 H GLU 3 H GLU 3 0.042 -5.843 19.752 18 HA GLU 3 HA GLU 3 -0.259 -3.232 20.900 19 HB2 GLU 3 2HB GLU 3 1.379 -4.992 21.565 20 HB3 GLU 3 3HB GLU 3 2.277 -4.691 20.072 21 HG2 GLU 3 2HG GLU 3 2.752 -2.387 20.788 22 HG3 GLU 3 3HG GLU 3 1.713 -2.582 22.203 23 H SER 4 H SER 4 0.835 -4.187 17.678 24 HA SER 4 HA SER 4 0.677 -1.386 16.750 25 HB2 SER 4 2HB SER 4 3.017 -1.234 16.131 26 HB3 SER 4 3HB SER 4 2.859 -1.583 17.870 27 HG SER 4 HG SER 4 4.464 -2.894 16.881 28 H SER 5 H SER 5 1.465 -4.763 15.910 29 HA SER 5 HA SER 5 1.068 -4.290 13.059 30 HB2 SER 5 2HB SER 5 1.684 -6.603 12.763 31 HB3 SER 5 3HB SER 5 2.848 -5.779 13.802 32 HG SER 5 HG SER 5 2.198 -6.949 15.499 33 H ASP 6 H ASP 6 -1.209 -3.592 14.461 34 HA ASP 6 HA ASP 6 -3.034 -5.814 14.275 35 HB2 ASP 6 2HB ASP 6 -2.883 -4.164 16.215 36 HB3 ASP 6 3HB ASP 6 -3.688 -2.992 15.183 37 H LYS 7 H LYS 7 -2.271 -5.295 11.755 38 HA LYS 7 HA LYS 7 -4.721 -4.639 10.311 39 HB2 LYS 7 2HB LYS 7 -3.552 -3.210 8.708 40 HB3 LYS 7 3HB LYS 7 -3.663 -2.469 10.288 41 HG2 LYS 7 2HG LYS 7 -1.185 -4.075 9.691 42 HG3 LYS 7 3HG LYS 7 -1.391 -2.549 8.828 43 HD2 LYS 7 2HD LYS 7 -1.660 -1.338 10.934 44 HD3 LYS 7 3HD LYS 7 -1.482 -2.822 11.857 45 HE2 LYS 7 2HE LYS 7 0.782 -3.097 11.261 46 HE3 LYS 7 3HE LYS 7 0.655 -1.989 9.882 47 HZ1 LYS 7 3HZ LYS 7 0.401 -0.151 11.413 48 HZ2 LYS 7 1HZ LYS 7 0.517 -1.163 12.732 49 HZ3 LYS 7 2HZ LYS 7 1.797 -0.936 11.742 50 H LEU 8 H LEU 8 -4.415 -5.237 8.031 51 HA LEU 8 HA LEU 8 -2.383 -7.388 7.599 52 HB2 LEU 8 2HB LEU 8 -3.872 -8.395 6.010 53 HB3 LEU 8 3HB LEU 8 -4.545 -8.401 7.628 54 HG LEU 8 HG LEU 8 -5.361 -6.314 5.571 55 HD11 LEU 8 1HD1 LEU 8 -6.669 -9.014 6.132 56 HD12 LEU 8 2HD1 LEU 8 -7.245 -7.757 5.009 57 HD13 LEU 8 3HD1 LEU 8 -5.737 -8.612 4.672 58 HD21 LEU 8 3HD2 LEU 8 -6.691 -7.365 8.097 59 HD22 LEU 8 1HD2 LEU 8 -6.185 -5.693 7.754 60 HD23 LEU 8 2HD2 LEU 8 -7.531 -6.389 6.875 61 H TYR 9 H TYR 9 -3.381 -4.238 6.666 62 HA TYR 9 HA TYR 9 -1.605 -4.279 4.307 63 HB2 TYR 9 2HB TYR 9 -4.311 -2.934 4.340 64 HB3 TYR 9 3HB TYR 9 -3.197 -3.038 2.988 65 HD1 TYR 9 HD2 TYR 9 -2.568 -5.944 2.910 66 HD2 TYR 9 HD1 TYR 9 -6.289 -3.903 3.600 67 HE1 TYR 9 HE2 TYR 9 -3.808 -7.916 2.018 68 HE2 TYR 9 HE1 TYR 9 -7.534 -5.871 2.716 69 HH TYR 9 HH TYR 9 -7.361 -7.872 1.623 70 H ARG 10 H ARG 10 -0.749 -2.222 3.803 71 HA ARG 10 HA ARG 10 -1.288 0.071 5.583 72 HB2 ARG 10 2HB ARG 10 0.497 -0.603 6.822 73 HB3 ARG 10 3HB ARG 10 1.166 -1.579 5.548 74 HG2 ARG 10 2HG ARG 10 2.788 0.059 6.027 75 HG3 ARG 10 3HG ARG 10 2.110 0.457 4.459 76 HD2 ARG 10 2HD ARG 10 2.420 2.484 5.617 77 HD3 ARG 10 3HD ARG 10 0.687 2.193 5.576 78 HE ARG 10 HE ARG 10 1.246 1.227 8.026 79 HH11 ARG 10 1HH2 ARG 10 2.094 4.265 6.498 80 HH12 ARG 10 2HH2 ARG 10 1.795 5.194 7.944 81 HH21 ARG 10 1HH1 ARG 10 0.827 2.481 9.815 82 HH22 ARG 10 2HH1 ARG 10 1.250 4.186 9.791 83 H VAL 11 H VAL 11 -0.976 2.055 4.597 84 HA VAL 11 HA VAL 11 0.347 2.178 1.951 85 HB VAL 11 HB VAL 11 -2.144 1.998 1.690 86 HG11 VAL 11 1HG1 VAL 11 -2.203 4.908 2.600 87 HG12 VAL 11 2HG1 VAL 11 -3.565 3.918 2.049 88 HG13 VAL 11 3HG1 VAL 11 -2.756 3.573 3.592 89 HG21 VAL 11 3HG2 VAL 11 -0.597 3.020 -0.061 90 HG22 VAL 11 1HG2 VAL 11 -2.249 3.655 -0.112 91 HG23 VAL 11 2HG2 VAL 11 -0.937 4.604 0.619 92 H GLU 12 H GLU 12 1.474 4.125 1.580 93 HA GLU 12 HA GLU 12 0.970 6.427 3.301 94 HB2 GLU 12 2HB GLU 12 3.122 6.664 4.271 95 HB3 GLU 12 3HB GLU 12 2.549 5.058 4.714 96 HG2 GLU 12 2HG GLU 12 4.012 4.004 3.115 97 HG3 GLU 12 3HG GLU 12 4.467 5.537 2.391 98 H TYR 13 H TYR 13 2.081 8.314 2.772 99 HA TYR 13 HA TYR 13 3.375 8.546 0.135 100 HB2 TYR 13 2HB TYR 13 3.122 10.460 2.480 101 HB3 TYR 13 3HB TYR 13 3.890 10.829 0.944 102 HD1 TYR 13 HD1 TYR 13 1.365 9.039 -0.432 103 HD2 TYR 13 HD2 TYR 13 1.829 12.560 2.031 104 HE1 TYR 13 HE1 TYR 13 -0.635 10.044 -1.483 105 HE2 TYR 13 HE2 TYR 13 -0.239 13.521 1.024 106 HH TYR 13 HH TYR 13 -1.875 11.962 -1.740 107 H ALA 14 H ALA 14 5.395 8.004 -0.182 108 HA ALA 14 HA ALA 14 6.798 6.515 1.729 109 HB1 ALA 14 1HB ALA 14 7.685 7.629 -0.959 110 HB2 ALA 14 2HB ALA 14 8.479 6.308 -0.092 111 HB3 ALA 14 3HB ALA 14 6.818 6.113 -0.691 112 H LYS 15 H LYS 15 8.182 6.993 3.286 113 HA LYS 15 HA LYS 15 9.079 9.723 3.753 114 HB2 LYS 15 2HB LYS 15 9.798 7.198 5.298 115 HB3 LYS 15 3HB LYS 15 9.920 8.862 5.860 116 HG2 LYS 15 2HG LYS 15 7.380 7.298 5.294 117 HG3 LYS 15 3HG LYS 15 8.002 7.801 6.864 118 HD2 LYS 15 2HD LYS 15 7.708 10.196 6.188 119 HD3 LYS 15 3HD LYS 15 6.968 9.665 4.669 120 HE2 LYS 15 2HE LYS 15 5.937 9.026 7.464 121 HE3 LYS 15 3HE LYS 15 5.311 10.289 6.395 122 HZ1 LYS 15 3HZ LYS 15 3.952 8.324 6.205 123 HZ2 LYS 15 1HZ LYS 15 4.775 8.511 4.778 124 HZ3 LYS 15 2HZ LYS 15 5.220 7.360 5.849 125 H SER 16 H SER 16 10.719 6.779 2.743 126 HA SER 16 HA SER 16 13.214 8.115 2.019 127 HB2 SER 16 2HB SER 16 13.396 7.876 4.507 128 HB3 SER 16 3HB SER 16 13.247 6.118 4.317 129 HG SER 16 HG SER 16 15.453 7.028 4.386 130 H GLY 17 H GLY 17 14.705 6.615 0.984 131 HA2 GLY 17 2HA GLY 17 13.367 4.680 -0.703 132 HA3 GLY 17 3HA GLY 17 15.064 5.145 -0.762 133 H ARG 18 H ARG 18 13.683 3.868 2.218 134 HA ARG 18 HA ARG 18 15.633 1.665 2.252 135 HB2 ARG 18 2HB ARG 18 13.480 2.482 4.254 136 HB3 ARG 18 3HB ARG 18 14.732 1.279 4.543 137 HG2 ARG 18 2HG ARG 18 15.218 4.249 4.059 138 HG3 ARG 18 3HG ARG 18 15.251 3.418 5.615 139 HD2 ARG 18 2HD ARG 18 17.133 1.996 4.790 140 HD3 ARG 18 3HD ARG 18 17.150 2.937 3.281 141 HE ARG 18 HE ARG 18 17.334 4.784 5.404 142 HH11 ARG 18 1HH2 ARG 18 19.357 2.239 4.099 143 HH12 ARG 18 2HH2 ARG 18 20.825 2.999 4.649 144 HH21 ARG 18 1HH1 ARG 18 19.243 5.698 6.079 145 HH22 ARG 18 2HH1 ARG 18 20.755 4.907 5.738 146 H ALA 19 H ALA 19 12.304 1.893 1.362 147 HA ALA 19 HA ALA 19 11.720 -0.950 1.820 148 HB1 ALA 19 1HB ALA 19 9.507 -0.343 0.967 149 HB2 ALA 19 2HB ALA 19 10.005 0.773 2.252 150 HB3 ALA 19 3HB ALA 19 10.082 1.270 0.540 151 H SER 20 H SER 20 11.378 -2.513 0.211 152 HA SER 20 HA SER 20 12.116 -1.805 -2.578 153 HB2 SER 20 2HB SER 20 13.157 -3.983 -2.862 154 HB3 SER 20 3HB SER 20 14.000 -3.001 -1.659 155 HG SER 20 HG SER 20 13.832 -5.001 -0.800 156 H CYS 21 HN CYS 21 11.038 -3.063 -4.191 157 HA CYS 21 HA CYS 21 8.266 -3.627 -3.374 158 HB2 CYS 21 2HB CYS 21 8.865 -2.134 -5.264 159 HB3 CYS 21 3HB CYS 21 9.572 -3.530 -6.103 160 H LYS 22 H LYS 22 7.857 -5.631 -2.622 161 HA LYS 22 HA LYS 22 9.599 -7.849 -3.295 162 HB2 LYS 22 2HB LYS 22 7.059 -8.503 -1.906 163 HB3 LYS 22 3HB LYS 22 8.685 -9.049 -1.602 164 HG2 LYS 22 2HG LYS 22 7.448 -6.401 -0.818 165 HG3 LYS 22 3HG LYS 22 7.770 -7.734 0.257 166 HD2 LYS 22 2HD LYS 22 9.909 -6.081 -1.123 167 HD3 LYS 22 3HD LYS 22 9.365 -5.902 0.550 168 HE2 LYS 22 2HE LYS 22 10.139 -8.232 1.014 169 HE3 LYS 22 3HE LYS 22 10.710 -8.352 -0.660 170 HZ1 LYS 22 3HZ LYS 22 11.710 -6.459 1.400 171 HZ2 LYS 22 1HZ LYS 22 12.548 -7.683 0.718 172 HZ3 LYS 22 2HZ LYS 22 12.134 -6.363 -0.168 173 H LYS 23 H LYS 23 7.308 -6.608 -5.212 174 HA LYS 23 HA LYS 23 6.408 -9.219 -6.354 175 HB2 LYS 23 2HB LYS 23 4.605 -7.823 -5.499 176 HB3 LYS 23 3HB LYS 23 5.128 -6.471 -6.502 177 HG2 LYS 23 2HG LYS 23 3.166 -7.591 -7.412 178 HG3 LYS 23 3HG LYS 23 4.525 -7.695 -8.534 179 HD2 LYS 23 2HD LYS 23 4.922 -10.041 -7.893 180 HD3 LYS 23 3HD LYS 23 3.666 -9.937 -6.639 181 HE2 LYS 23 2HE LYS 23 1.966 -9.489 -8.370 182 HE3 LYS 23 3HE LYS 23 3.210 -9.526 -9.629 183 HZ1 LYS 23 3HZ LYS 23 2.484 -11.838 -7.901 184 HZ2 LYS 23 1HZ LYS 23 2.028 -11.650 -9.454 185 HZ3 LYS 23 2HZ LYS 23 3.603 -11.863 -9.092 186 H CYS 24 HN CYS 24 7.397 -5.921 -7.529 187 HA CYS 24 HA CYS 24 8.200 -7.249 -10.055 188 HB2 CYS 24 2HB CYS 24 8.103 -5.273 -11.172 189 HB3 CYS 24 3HB CYS 24 6.675 -5.294 -10.145 190 H SER 25 H SER 25 9.710 -6.644 -7.213 191 HA SER 25 HA SER 25 11.798 -6.815 -6.479 192 HB2 SER 25 2HB SER 25 12.516 -7.933 -9.198 193 HB3 SER 25 3HB SER 25 13.461 -8.078 -7.710 194 HG SER 25 HG SER 25 10.851 -9.118 -8.190 195 H GLU 26 H GLU 26 11.033 -4.293 -7.903 196 HA GLU 26 HA GLU 26 13.761 -3.090 -8.180 197 HB2 GLU 26 2HB GLU 26 11.027 -1.936 -8.831 198 HB3 GLU 26 3HB GLU 26 12.577 -1.099 -8.993 199 HG2 GLU 26 2HG GLU 26 13.330 -2.947 -10.556 200 HG3 GLU 26 3HG GLU 26 11.683 -3.585 -10.505 201 H SER 27 H SER 27 13.344 -0.557 -7.240 202 HA SER 27 HA SER 27 12.752 -0.928 -4.332 203 HB2 SER 27 2HB SER 27 15.148 -0.882 -4.768 204 HB3 SER 27 3HB SER 27 14.950 0.738 -5.511 205 HG SER 27 HG SER 27 15.592 0.777 -3.286 206 H ILE 28 H ILE 28 12.063 0.896 -3.173 207 HA ILE 28 HA ILE 28 10.232 2.418 -4.942 208 HB ILE 28 HB ILE 28 9.784 1.788 -2.020 209 HG12 ILE 28 2HG1 ILE 28 8.536 0.291 -4.366 210 HG13 ILE 28 3HG1 ILE 28 9.937 -0.321 -3.491 211 HG21 ILE 28 1HG2 ILE 28 7.948 2.735 -4.286 212 HG22 ILE 28 2HG2 ILE 28 7.416 2.344 -2.653 213 HG23 ILE 28 3HG2 ILE 28 8.491 3.716 -2.916 214 HD11 ILE 28 3HD1 ILE 28 8.684 -0.308 -1.372 215 HD12 ILE 28 1HD1 ILE 28 7.215 0.179 -2.250 216 HD13 ILE 28 2HD1 ILE 28 7.988 -1.374 -2.599 217 HA PRO 29 HA PRO 29 12.644 5.936 -3.435 218 HB2 PRO 29 2HB PRO 29 11.719 7.890 -5.096 219 HB3 PRO 29 3HB PRO 29 12.771 6.562 -5.671 220 HG2 PRO 29 2HG PRO 29 9.743 6.731 -5.820 221 HG3 PRO 29 3HG PRO 29 10.893 6.327 -7.135 222 HD2 PRO 29 2HD PRO 29 9.597 4.413 -5.684 223 HD3 PRO 29 3HD PRO 29 11.272 4.173 -6.267 224 H LYS 30 H LYS 30 12.347 7.909 -2.287 225 HA LYS 30 HA LYS 30 9.955 8.165 -0.690 226 HB2 LYS 30 2HB LYS 30 10.951 10.085 0.318 227 HB3 LYS 30 3HB LYS 30 12.066 8.719 0.229 228 HG2 LYS 30 2HG LYS 30 13.127 9.728 -1.773 229 HG3 LYS 30 3HG LYS 30 12.059 11.142 -1.619 230 HD2 LYS 30 2HD LYS 30 13.064 11.771 0.498 231 HD3 LYS 30 3HD LYS 30 13.853 10.188 0.651 232 HE2 LYS 30 2HE LYS 30 15.592 11.538 -0.082 233 HE3 LYS 30 3HE LYS 30 15.034 10.648 -1.513 234 HZ1 LYS 30 3HZ LYS 30 13.822 12.660 -2.198 235 HZ2 LYS 30 1HZ LYS 30 14.314 13.467 -0.862 236 HZ3 LYS 30 2HZ LYS 30 15.399 13.023 -1.994 237 H ASP 31 H ASP 31 8.658 10.127 -0.518 238 HA ASP 31 HA ASP 31 6.987 11.354 -1.372 239 HB2 ASP 31 2HB ASP 31 8.914 12.899 -1.639 240 HB3 ASP 31 3HB ASP 31 9.041 12.418 -3.330 241 H SER 32 H SER 32 6.921 8.777 -2.218 242 HA SER 32 HA SER 32 5.338 8.949 -4.726 243 HB2 SER 32 2HB SER 32 5.962 6.722 -5.326 244 HB3 SER 32 3HB SER 32 7.462 7.627 -5.078 245 HG SER 32 HG SER 32 7.909 6.437 -3.354 246 H LEU 33 H LEU 33 3.693 7.041 -4.704 247 HA LEU 33 HA LEU 33 2.525 6.764 -1.973 248 HB2 LEU 33 2HB LEU 33 1.045 7.762 -3.711 249 HB3 LEU 33 3HB LEU 33 1.279 6.330 -4.714 250 HG LEU 33 HG LEU 33 0.248 4.947 -2.846 251 HD11 LEU 33 1HD1 LEU 33 -0.503 7.692 -1.759 252 HD12 LEU 33 2HD1 LEU 33 -1.188 6.146 -1.226 253 HD13 LEU 33 3HD1 LEU 33 0.521 6.487 -0.947 254 HD21 LEU 33 3HD2 LEU 33 -1.484 7.163 -4.000 255 HD22 LEU 33 1HD2 LEU 33 -1.024 5.665 -4.842 256 HD23 LEU 33 2HD2 LEU 33 -2.048 5.584 -3.398 257 H ARG 34 H ARG 34 2.746 4.827 -0.977 258 HA ARG 34 HA ARG 34 3.221 2.371 -2.584 259 HB2 ARG 34 2HB ARG 34 5.187 1.751 -1.360 260 HB3 ARG 34 3HB ARG 34 5.417 3.299 -2.172 261 HG2 ARG 34 2HG ARG 34 5.127 4.487 -0.005 262 HG3 ARG 34 3HG ARG 34 4.885 2.928 0.808 263 HD2 ARG 34 2HD ARG 34 7.132 2.180 0.004 264 HD3 ARG 34 3HD ARG 34 7.359 3.770 -0.749 265 HE ARG 34 HE ARG 34 6.804 3.908 2.129 266 HH11 ARG 34 1HH2 ARG 34 9.444 3.661 -0.206 267 HH12 ARG 34 2HH2 ARG 34 10.589 4.248 0.975 268 HH21 ARG 34 1HH1 ARG 34 8.257 4.513 3.481 269 HH22 ARG 34 2HH1 ARG 34 9.988 4.466 3.095 270 H MET 35 H MET 35 2.961 0.419 -1.492 271 HA MET 35 HA MET 35 1.201 0.517 0.897 272 HB2 MET 35 2HB MET 35 0.739 -0.956 -1.725 273 HB3 MET 35 3HB MET 35 -0.060 -1.423 -0.212 274 HG2 MET 35 2HG MET 35 -0.989 0.854 -0.011 275 HG3 MET 35 3HG MET 35 -0.269 1.272 -1.571 276 HE1 MET 35 3HE MET 35 -3.186 -0.263 0.380 277 HE2 MET 35 1HE MET 35 -4.035 -1.295 -0.792 278 HE3 MET 35 2HE MET 35 -2.454 -1.801 -0.141 279 H ALA 36 H ALA 36 1.026 -1.493 2.051 280 HA ALA 36 HA ALA 36 3.219 -3.389 1.617 281 HB1 ALA 36 1HB ALA 36 4.090 -3.167 3.891 282 HB2 ALA 36 2HB ALA 36 4.164 -1.619 3.033 283 HB3 ALA 36 3HB ALA 36 2.903 -1.885 4.231 284 H ILE 37 H ILE 37 3.084 -5.298 3.074 285 HA ILE 37 HA ILE 37 0.303 -5.853 4.033 286 HB ILE 37 HB ILE 37 2.006 -7.263 2.058 287 HG12 ILE 37 2HG1 ILE 37 -0.972 -7.406 2.682 288 HG13 ILE 37 3HG1 ILE 37 -0.235 -6.099 1.755 289 HG21 ILE 37 1HG2 ILE 37 0.473 -8.926 4.086 290 HG22 ILE 37 2HG2 ILE 37 1.215 -9.500 2.560 291 HG23 ILE 37 3HG2 ILE 37 2.241 -8.899 3.851 292 HD11 ILE 37 3HD1 ILE 37 -0.297 -9.027 0.951 293 HD12 ILE 37 1HD1 ILE 37 -1.171 -7.675 0.202 294 HD13 ILE 37 2HD1 ILE 37 0.599 -7.759 0.085 295 H MET 38 H MET 38 0.054 -6.836 5.918 296 HA MET 38 HA MET 38 2.451 -7.118 7.615 297 HB2 MET 38 2HB MET 38 0.135 -5.916 8.196 298 HB3 MET 38 3HB MET 38 -0.373 -7.565 8.544 299 HG2 MET 38 2HG MET 38 0.318 -6.925 10.604 300 HG3 MET 38 3HG MET 38 1.830 -7.615 10.015 301 HE1 MET 38 3HE MET 38 3.954 -4.404 9.236 302 HE2 MET 38 1HE MET 38 3.807 -6.175 9.122 303 HE3 MET 38 2HE MET 38 2.859 -5.130 8.032 304 H VAL 39 H VAL 39 3.507 -8.950 7.681 305 HA VAL 39 HA VAL 39 1.931 -11.482 7.904 306 HB VAL 39 HB VAL 39 2.706 -11.299 5.608 307 HG11 VAL 39 1HG1 VAL 39 5.047 -11.440 4.996 308 HG12 VAL 39 2HG1 VAL 39 4.762 -9.958 5.917 309 HG13 VAL 39 3HG1 VAL 39 5.549 -11.347 6.695 310 HG21 VAL 39 3HG2 VAL 39 3.685 -13.468 5.362 311 HG22 VAL 39 1HG2 VAL 39 4.234 -13.488 7.044 312 HG23 VAL 39 2HG2 VAL 39 2.492 -13.523 6.666 313 H GLN 40 H GLN 40 2.681 -13.032 9.215 314 HA GLN 40 HA GLN 40 4.516 -12.290 11.341 315 HB2 GLN 40 2HB GLN 40 4.086 -14.766 11.988 316 HB3 GLN 40 3HB GLN 40 2.813 -13.566 12.171 317 HG2 GLN 40 2HG GLN 40 1.654 -14.302 10.196 318 HG3 GLN 40 3HG GLN 40 2.991 -15.361 9.720 319 HE21 GLN 40 2HE2 GLN 40 3.410 -17.316 11.106 320 HE22 GLN 40 1HE2 GLN 40 2.075 -17.958 12.051 321 H SER 41 H SER 41 6.616 -12.663 11.546 322 HA SER 41 HA SER 41 8.009 -13.634 9.191 323 HB2 SER 41 2HB SER 41 9.996 -12.572 10.494 324 HB3 SER 41 3HB SER 41 8.737 -11.534 9.822 325 HG SER 41 HG SER 41 8.891 -12.447 12.516 326 HA PRO 42 HA PRO 42 9.814 -17.131 11.276 327 HB2 PRO 42 2HB PRO 42 11.398 -18.111 9.284 328 HB3 PRO 42 3HB PRO 42 9.610 -18.221 9.235 329 HG2 PRO 42 2HG PRO 42 11.389 -16.161 7.899 330 HG3 PRO 42 3HG PRO 42 10.036 -17.087 7.178 331 HD2 PRO 42 2HD PRO 42 9.743 -14.524 8.170 332 HD3 PRO 42 3HD PRO 42 8.424 -15.724 8.218 333 H MET 43 H MET 43 11.565 -14.441 9.878 334 HA MET 43 HA MET 43 14.104 -15.111 11.228 335 HB2 MET 43 2HB MET 43 15.125 -13.440 9.874 336 HB3 MET 43 3HB MET 43 14.143 -14.510 8.896 337 HG2 MET 43 2HG MET 43 12.293 -12.575 9.304 338 HG3 MET 43 3HG MET 43 13.728 -11.607 9.618 339 HE1 MET 43 3HE MET 43 12.975 -14.578 7.136 340 HE2 MET 43 1HE MET 43 11.538 -13.541 7.123 341 HE3 MET 43 2HE MET 43 12.544 -13.681 5.659 342 H PHE 44 H PHE 44 11.374 -13.273 12.002 343 HA PHE 44 HA PHE 44 12.814 -11.651 14.019 344 HB2 PHE 44 2HB PHE 44 12.595 -10.144 12.187 345 HB3 PHE 44 3HB PHE 44 10.927 -10.580 11.909 346 HD1 PHE 44 HD1 PHE 44 13.220 -8.892 14.332 347 HD2 PHE 44 HD2 PHE 44 9.134 -9.474 13.073 348 HE1 PHE 44 HE1 PHE 44 12.483 -7.082 15.868 349 HE2 PHE 44 HE2 PHE 44 8.405 -7.657 14.596 350 HZ PHE 44 HZ PHE 44 10.077 -6.464 16.003 351 H ASP 45 H ASP 45 11.413 -10.810 15.712 352 HA ASP 45 HA ASP 45 9.747 -13.065 16.617 353 HB2 ASP 45 2HB ASP 45 11.746 -12.349 17.880 354 HB3 ASP 45 3HB ASP 45 10.994 -10.782 18.177 355 H GLY 46 H GLY 46 8.201 -11.930 14.893 356 HA2 GLY 46 2HA GLY 46 5.771 -11.267 16.074 357 HA3 GLY 46 3HA GLY 46 6.578 -9.711 15.845 358 H LYS 47 H LYS 47 5.655 -8.771 14.145 359 HA LYS 47 HA LYS 47 5.436 -10.272 11.583 360 HB2 LYS 47 2HB LYS 47 3.396 -8.210 12.473 361 HB3 LYS 47 3HB LYS 47 3.348 -9.253 11.056 362 HG2 LYS 47 2HG LYS 47 3.526 -11.157 13.025 363 HG3 LYS 47 3HG LYS 47 2.733 -9.881 13.936 364 HD2 LYS 47 2HD LYS 47 1.834 -11.180 11.345 365 HD3 LYS 47 3HD LYS 47 1.175 -11.514 12.946 366 HE2 LYS 47 2HE LYS 47 1.024 -8.837 11.502 367 HE3 LYS 47 3HE LYS 47 -0.255 -10.057 11.484 368 HZ1 LYS 47 3HZ LYS 47 0.737 -8.666 13.934 369 HZ2 LYS 47 1HZ LYS 47 -0.641 -8.316 13.169 370 HZ3 LYS 47 2HZ LYS 47 -0.473 -9.782 13.896 371 H VAL 48 H VAL 48 5.610 -9.130 9.702 372 HA VAL 48 HA VAL 48 7.202 -6.611 9.881 373 HB VAL 48 HB VAL 48 8.727 -7.566 8.195 374 HG11 VAL 48 1HG1 VAL 48 8.548 -9.243 10.738 375 HG12 VAL 48 2HG1 VAL 48 9.988 -8.985 9.741 376 HG13 VAL 48 3HG1 VAL 48 9.272 -7.629 10.627 377 HG21 VAL 48 3HG2 VAL 48 7.311 -9.320 7.196 378 HG22 VAL 48 1HG2 VAL 48 8.813 -10.006 7.829 379 HG23 VAL 48 2HG2 VAL 48 7.293 -10.207 8.727 380 HA PRO 49 HA PRO 49 4.669 -5.474 6.413 381 HB2 PRO 49 2HB PRO 49 5.751 -3.081 5.693 382 HB3 PRO 49 3HB PRO 49 4.914 -3.325 7.255 383 HG2 PRO 49 2HG PRO 49 7.897 -3.365 6.705 384 HG3 PRO 49 3HG PRO 49 7.022 -2.532 8.025 385 HD2 PRO 49 2HD PRO 49 8.235 -5.000 8.313 386 HD3 PRO 49 3HD PRO 49 6.790 -4.503 9.244 387 H HIS 50 H HIS 50 4.658 -6.337 4.400 388 HA HIS 50 HA HIS 50 7.150 -6.470 2.747 389 HB2 HIS 50 2HB HIS 50 4.440 -7.831 2.597 390 HB3 HIS 50 3HB HIS 50 5.558 -7.811 1.237 391 HD2 HIS 50 HD2 HIS 50 7.048 -8.168 4.722 392 HE1 HIS 50 HE1 HIS 50 7.270 -12.029 2.924 393 HE2 HIS 50 HE2 HIS 50 8.034 -10.619 4.904 394 H TRP 51 H TRP 51 7.522 -4.495 1.931 395 HA TRP 51 HA TRP 51 5.394 -2.715 1.111 396 HB2 TRP 51 2HB TRP 51 8.412 -2.572 0.869 397 HB3 TRP 51 3HB TRP 51 7.312 -1.299 0.358 398 HD1 TRP 51 HD1 TRP 51 8.974 -2.672 3.428 399 HE1 TRP 51 HE1 TRP 51 8.425 -1.193 5.456 400 HE3 TRP 51 HE3 TRP 51 5.310 0.223 1.338 401 HZ2 TRP 51 HZ2 TRP 51 6.554 0.910 6.116 402 HZ3 TRP 51 HZ3 TRP 51 4.076 1.869 2.719 403 HH2 TRP 51 HH2 TRP 51 4.721 2.259 5.095 404 H TYR 52 H TYR 52 4.811 -2.033 -0.915 405 HA TYR 52 HA TYR 52 6.282 -2.924 -3.296 406 HB2 TYR 52 2HB TYR 52 3.305 -3.282 -3.356 407 HB3 TYR 52 3HB TYR 52 4.577 -3.973 -4.372 408 HD1 TYR 52 HD1 TYR 52 2.891 -4.327 -1.043 409 HD2 TYR 52 HD2 TYR 52 5.443 -6.076 -4.028 410 HE1 TYR 52 HE1 TYR 52 2.598 -6.573 0.023 411 HE2 TYR 52 HE2 TYR 52 5.105 -8.331 -2.997 412 HH TYR 52 HH TYR 52 3.105 -8.807 -0.076 413 H HIS 53 H HIS 53 5.695 -1.630 -5.190 414 HA HIS 53 HA HIS 53 4.953 1.139 -4.772 415 HB2 HIS 53 2HB HIS 53 4.540 -0.517 -7.293 416 HB3 HIS 53 3HB HIS 53 4.528 1.222 -7.185 417 HD2 HIS 53 HD2 HIS 53 6.911 2.457 -6.547 418 HE1 HIS 53 HE1 HIS 53 9.337 -0.630 -8.189 419 HE2 HIS 53 HE2 HIS 53 9.307 1.785 -7.411 420 H PHE 54 H PHE 54 2.869 2.206 -5.268 421 HA PHE 54 HA PHE 54 0.653 1.097 -4.036 422 HB2 PHE 54 2HB PHE 54 0.677 3.433 -4.520 423 HB3 PHE 54 3HB PHE 54 0.804 3.155 -6.256 424 HD1 PHE 54 HD1 PHE 54 -1.493 2.230 -3.404 425 HD2 PHE 54 HD2 PHE 54 -1.152 3.364 -7.551 426 HE1 PHE 54 HE1 PHE 54 -3.953 2.022 -3.671 427 HE2 PHE 54 HE2 PHE 54 -3.627 3.246 -7.776 428 HZ PHE 54 HZ PHE 54 -5.017 2.547 -5.848 429 H SER 55 H SER 55 1.341 0.895 -7.583 430 HA SER 55 HA SER 55 -1.123 -0.468 -8.195 431 HB2 SER 55 2HB SER 55 1.418 -0.289 -9.844 432 HB3 SER 55 3HB SER 55 -0.216 -0.671 -10.425 433 HG SER 55 HG SER 55 0.330 1.552 -10.754 434 H CYS 56 HN CYS 56 2.150 -1.529 -7.344 435 HA CYS 56 HA CYS 56 1.952 -4.142 -8.364 436 HB2 CYS 56 2HB CYS 56 3.755 -2.886 -6.285 437 HB3 CYS 56 3HB CYS 56 3.968 -4.526 -6.895 438 H PHE 57 H PHE 57 1.127 -2.850 -5.167 439 HA PHE 57 HA PHE 57 0.645 -5.142 -3.604 440 HB2 PHE 57 2HB PHE 57 0.437 -2.921 -2.752 441 HB3 PHE 57 3HB PHE 57 -0.876 -2.536 -3.859 442 HD1 PHE 57 HD1 PHE 57 -3.111 -3.681 -3.617 443 HD2 PHE 57 HD2 PHE 57 -0.029 -3.991 -0.620 444 HE1 PHE 57 HE1 PHE 57 -4.784 -4.507 -2.000 445 HE2 PHE 57 HE2 PHE 57 -1.742 -4.691 1.040 446 HZ PHE 57 HZ PHE 57 -4.110 -4.995 0.342 447 H TRP 58 H TRP 58 -1.492 -3.662 -6.074 448 HA TRP 58 HA TRP 58 -3.588 -5.623 -5.735 449 HB2 TRP 58 2HB TRP 58 -3.140 -3.654 -7.981 450 HB3 TRP 58 3HB TRP 58 -4.648 -4.447 -7.554 451 HD1 TRP 58 HD1 TRP 58 -2.477 -1.528 -6.825 452 HE1 TRP 58 HE1 TRP 58 -3.381 -0.017 -4.984 453 HE3 TRP 58 HE3 TRP 58 -6.359 -4.485 -5.190 454 HZ2 TRP 58 HZ2 TRP 58 -5.538 -0.065 -3.041 455 HZ3 TRP 58 HZ3 TRP 58 -7.804 -3.705 -3.362 456 HH2 TRP 58 HH2 TRP 58 -7.381 -1.504 -2.271 457 H LYS 59 H LYS 59 -0.703 -5.514 -7.747 458 HA LYS 59 HA LYS 59 -1.427 -7.683 -9.546 459 HB2 LYS 59 2HB LYS 59 1.343 -6.835 -8.672 460 HB3 LYS 59 3HB LYS 59 0.942 -7.884 -10.025 461 HG2 LYS 59 2HG LYS 59 -0.155 -6.077 -11.218 462 HG3 LYS 59 3HG LYS 59 -0.013 -5.017 -9.810 463 HD2 LYS 59 2HD LYS 59 2.564 -5.418 -10.002 464 HD3 LYS 59 3HD LYS 59 2.204 -5.985 -11.646 465 HE2 LYS 59 2HE LYS 59 1.221 -3.897 -12.254 466 HE3 LYS 59 3HE LYS 59 1.023 -3.412 -10.569 467 HZ1 LYS 59 3HZ LYS 59 2.861 -2.258 -11.652 468 HZ2 LYS 59 1HZ LYS 59 3.413 -3.135 -10.366 469 HZ3 LYS 59 2HZ LYS 59 3.663 -3.664 -11.903 470 H VAL 60 H VAL 60 -0.211 -7.510 -6.203 471 HA VAL 60 HA VAL 60 0.393 -10.355 -5.999 472 HB VAL 60 HB VAL 60 -0.412 -8.626 -3.651 473 HG11 VAL 60 1HG1 VAL 60 1.542 -10.957 -3.925 474 HG12 VAL 60 2HG1 VAL 60 1.211 -10.049 -2.435 475 HG13 VAL 60 3HG1 VAL 60 -0.053 -11.037 -3.153 476 HG21 VAL 60 3HG2 VAL 60 1.997 -8.094 -3.362 477 HG22 VAL 60 1HG2 VAL 60 2.328 -8.774 -4.971 478 HG23 VAL 60 2HG2 VAL 60 1.308 -7.331 -4.771 479 H GLY 61 H GLY 61 -2.598 -8.664 -6.234 480 HA2 GLY 61 2HA GLY 61 -4.650 -9.607 -6.650 481 HA3 GLY 61 3HA GLY 61 -4.043 -11.190 -6.172 482 H HIS 62 H HIS 62 -3.628 -8.661 -3.819 483 HA HIS 62 HA HIS 62 -5.638 -9.849 -2.024 484 HB2 HIS 62 2HB HIS 62 -3.575 -7.654 -1.691 485 HB3 HIS 62 3HB HIS 62 -4.807 -7.993 -0.480 486 HD2 HIS 62 HD2 HIS 62 -1.719 -9.632 -2.109 487 HE1 HIS 62 HE1 HIS 62 -2.709 -12.004 1.291 488 HE2 HIS 62 HE2 HIS 62 -1.001 -11.646 -0.565 489 H SER 63 H SER 63 -7.366 -8.783 -1.094 490 HA SER 63 HA SER 63 -8.541 -6.493 -2.620 491 HB2 SER 63 2HB SER 63 -9.931 -9.078 -1.812 492 HB3 SER 63 3HB SER 63 -10.733 -7.645 -2.483 493 HG SER 63 HG SER 63 -10.241 -9.234 -4.087 494 H ILE 64 H ILE 64 -10.046 -5.224 -1.536 495 HA ILE 64 HA ILE 64 -9.838 -5.266 1.438 496 HB ILE 64 HB ILE 64 -9.380 -2.753 -0.174 497 HG12 ILE 64 2HG1 ILE 64 -7.216 -4.763 0.504 498 HG13 ILE 64 3HG1 ILE 64 -7.643 -4.103 -1.065 499 HG21 ILE 64 1HG2 ILE 64 -8.534 -3.627 2.618 500 HG22 ILE 64 2HG2 ILE 64 -8.275 -2.029 1.908 501 HG23 ILE 64 3HG2 ILE 64 -9.921 -2.583 2.238 502 HD11 ILE 64 3HD1 ILE 64 -5.697 -2.952 -0.510 503 HD12 ILE 64 1HD1 ILE 64 -6.966 -1.795 -0.090 504 HD13 ILE 64 2HD1 ILE 64 -6.161 -2.753 1.179 505 H ARG 65 H ARG 65 -11.603 -4.500 2.482 506 HA ARG 65 HA ARG 65 -13.983 -3.705 0.821 507 HB2 ARG 65 2HB ARG 65 -15.303 -5.176 2.485 508 HB3 ARG 65 3HB ARG 65 -14.488 -5.924 1.131 509 HG2 ARG 65 2HG ARG 65 -13.069 -5.784 3.801 510 HG3 ARG 65 3HG ARG 65 -14.336 -6.967 3.566 511 HD2 ARG 65 2HD ARG 65 -13.127 -8.254 2.156 512 HD3 ARG 65 3HD ARG 65 -12.372 -6.889 1.333 513 HE ARG 65 HE ARG 65 -11.086 -6.761 3.718 514 HH11 ARG 65 1HH2 ARG 65 -11.517 -9.530 1.575 515 HH12 ARG 65 2HH2 ARG 65 -10.010 -10.231 2.099 516 HH21 ARG 65 1HH1 ARG 65 -9.345 -7.656 4.310 517 HH22 ARG 65 2HH1 ARG 65 -8.761 -9.188 3.644 518 H HIS 66 H HIS 66 -12.249 -3.209 3.777 519 HA HIS 66 HA HIS 66 -13.783 -0.713 4.085 520 HB2 HIS 66 2HB HIS 66 -13.833 -0.829 6.520 521 HB3 HIS 66 3HB HIS 66 -14.921 -1.931 5.708 522 HD2 HIS 66 HD2 HIS 66 -12.985 -4.491 5.394 523 HE1 HIS 66 HE1 HIS 66 -13.015 -4.459 9.622 524 HE2 HIS 66 HE2 HIS 66 -12.559 -5.872 7.571 525 HA PRO 67 HA PRO 67 -9.266 -0.730 3.584 526 HB2 PRO 67 2HB PRO 67 -9.007 1.485 1.888 527 HB3 PRO 67 3HB PRO 67 -9.384 -0.166 1.327 528 HG2 PRO 67 2HG PRO 67 -11.331 2.049 1.987 529 HG3 PRO 67 3HG PRO 67 -11.276 1.028 0.503 530 HD2 PRO 67 2HD PRO 67 -12.974 0.441 2.477 531 HD3 PRO 67 3HD PRO 67 -12.029 -0.885 1.729 532 H ASP 68 H ASP 68 -11.181 2.129 4.538 533 HA ASP 68 HA ASP 68 -8.878 3.493 5.652 534 HB2 ASP 68 2HB ASP 68 -10.591 4.996 6.669 535 HB3 ASP 68 3HB ASP 68 -10.691 4.829 4.923 536 H VAL 69 H VAL 69 -10.515 0.752 6.654 537 HA VAL 69 HA VAL 69 -9.573 1.014 9.461 538 HB VAL 69 HB VAL 69 -11.295 -1.190 8.290 539 HG11 VAL 69 1HG1 VAL 69 -11.870 -1.625 10.651 540 HG12 VAL 69 2HG1 VAL 69 -10.141 -1.811 10.364 541 HG13 VAL 69 3HG1 VAL 69 -10.749 -0.342 11.164 542 HG21 VAL 69 3HG2 VAL 69 -12.192 1.319 9.766 543 HG22 VAL 69 1HG2 VAL 69 -12.592 0.861 8.091 544 HG23 VAL 69 2HG2 VAL 69 -13.219 -0.096 9.430 545 H GLU 70 H GLU 70 -9.384 -1.066 6.559 546 HA GLU 70 HA GLU 70 -7.503 -2.935 7.825 547 HB2 GLU 70 2HB GLU 70 -8.455 -2.683 4.926 548 HB3 GLU 70 3HB GLU 70 -7.547 -4.043 5.588 549 HG2 GLU 70 2HG GLU 70 -9.418 -4.603 7.084 550 HG3 GLU 70 3HG GLU 70 -10.349 -3.250 6.449 551 H VAL 71 H VAL 71 -7.149 -0.251 5.606 552 HA VAL 71 HA VAL 71 -4.228 -0.752 5.129 553 HB VAL 71 HB VAL 71 -5.953 1.374 3.878 554 HG11 VAL 71 1HG1 VAL 71 -3.302 0.053 3.181 555 HG12 VAL 71 2HG1 VAL 71 -4.103 1.424 2.361 556 HG13 VAL 71 3HG1 VAL 71 -3.474 1.609 4.023 557 HG21 VAL 71 3HG2 VAL 71 -6.861 -0.829 3.215 558 HG22 VAL 71 1HG2 VAL 71 -5.916 -0.142 1.887 559 HG23 VAL 71 2HG2 VAL 71 -5.224 -1.431 2.908 560 H ASP 72 H ASP 72 -3.387 -0.388 7.056 561 HA ASP 72 HA ASP 72 -3.835 1.956 8.673 562 HB2 ASP 72 2HB ASP 72 -2.953 -0.109 9.523 563 HB3 ASP 72 3HB ASP 72 -1.572 -0.050 8.422 564 H GLY 73 H GLY 73 -2.876 3.937 8.616 565 HA2 GLY 73 2HA GLY 73 -1.358 5.637 8.006 566 HA3 GLY 73 3HA GLY 73 -0.629 4.567 6.811 567 H PHE 74 H PHE 74 -3.825 4.279 6.110 568 HA PHE 74 HA PHE 74 -3.986 5.982 3.828 569 HB2 PHE 74 2HB PHE 74 -5.381 4.001 4.268 570 HB3 PHE 74 3HB PHE 74 -6.081 4.758 5.687 571 HD1 PHE 74 HD2 PHE 74 -6.104 4.618 2.002 572 HD2 PHE 74 HD1 PHE 74 -7.837 6.454 5.500 573 HE1 PHE 74 HE2 PHE 74 -8.042 5.395 0.649 574 HE2 PHE 74 HE1 PHE 74 -9.763 7.233 4.132 575 HZ PHE 74 HZ PHE 74 -9.865 6.695 1.715 576 H SER 75 H SER 75 -4.499 6.757 7.229 577 HA SER 75 HA SER 75 -5.815 9.299 6.928 578 HB2 SER 75 2HB SER 75 -4.812 9.669 9.231 579 HB3 SER 75 3HB SER 75 -5.847 8.237 9.053 580 HG SER 75 HG SER 75 -3.872 7.784 10.172 581 H GLU 76 H GLU 76 -2.447 8.336 6.452 582 HA GLU 76 HA GLU 76 -1.344 11.019 6.771 583 HB2 GLU 76 2HB GLU 76 -0.114 8.543 5.493 584 HB3 GLU 76 3HB GLU 76 0.730 10.012 5.963 585 HG2 GLU 76 2HG GLU 76 0.261 9.602 8.330 586 HG3 GLU 76 3HG GLU 76 -0.719 8.187 7.933 587 H LEU 77 H LEU 77 -2.803 9.248 4.173 588 HA LEU 77 HA LEU 77 -1.738 10.734 1.912 589 HB2 LEU 77 2HB LEU 77 -4.157 8.952 2.358 590 HB3 LEU 77 3HB LEU 77 -3.866 9.747 0.830 591 HG LEU 77 HG LEU 77 -1.975 8.470 0.330 592 HD11 LEU 77 1HD1 LEU 77 -2.015 7.262 3.102 593 HD12 LEU 77 2HD1 LEU 77 -0.994 6.739 1.739 594 HD13 LEU 77 3HD1 LEU 77 -0.769 8.343 2.430 595 HD21 LEU 77 3HD2 LEU 77 -4.145 7.400 -0.014 596 HD22 LEU 77 1HD2 LEU 77 -2.907 6.194 0.367 597 HD23 LEU 77 2HD2 LEU 77 -4.071 6.687 1.610 598 H ARG 78 H ARG 78 -3.078 12.146 0.551 599 HA ARG 78 HA ARG 78 -5.234 13.664 1.974 600 HB2 ARG 78 2HB ARG 78 -3.386 14.508 -0.297 601 HB3 ARG 78 3HB ARG 78 -4.841 15.394 0.119 602 HG2 ARG 78 2HG ARG 78 -2.431 14.974 1.934 603 HG3 ARG 78 3HG ARG 78 -2.948 16.458 1.138 604 HD2 ARG 78 2HD ARG 78 -3.809 16.855 3.219 605 HD3 ARG 78 3HD ARG 78 -5.213 16.051 2.473 606 HE ARG 78 HE ARG 78 -3.938 13.929 3.564 607 HH11 ARG 78 1HH2 ARG 78 -4.748 16.959 5.133 608 HH12 ARG 78 2HH2 ARG 78 -4.941 16.180 6.680 609 HH21 ARG 78 1HH1 ARG 78 -4.235 13.019 5.471 610 HH22 ARG 78 2HH1 ARG 78 -4.624 13.979 6.871 611 H TRP 79 H TRP 79 -6.865 14.565 0.570 612 HA TRP 79 HA TRP 79 -8.564 12.497 0.286 613 HB2 TRP 79 2HB TRP 79 -9.859 14.271 0.507 614 HB3 TRP 79 3HB TRP 79 -8.654 15.354 -0.150 615 HD1 TRP 79 HD1 TRP 79 -11.826 13.527 -1.116 616 HE1 TRP 79 HE1 TRP 79 -12.602 14.295 -3.442 617 HE3 TRP 79 HE3 TRP 79 -7.704 16.215 -2.483 618 HZ2 TRP 79 HZ2 TRP 79 -11.592 15.962 -5.590 619 HZ3 TRP 79 HZ3 TRP 79 -7.616 17.378 -4.669 620 HH2 TRP 79 HH2 TRP 79 -9.554 17.261 -6.236 621 H ASP 80 H ASP 80 -6.727 13.877 -2.455 622 HA ASP 80 HA ASP 80 -8.218 12.484 -4.448 623 HB2 ASP 80 2HB ASP 80 -6.901 14.561 -4.839 624 HB3 ASP 80 3HB ASP 80 -5.420 13.608 -4.701 625 H ASP 81 H ASP 81 -5.505 11.441 -2.481 626 HA ASP 81 HA ASP 81 -4.993 9.057 -4.167 627 HB2 ASP 81 2HB ASP 81 -3.643 10.115 -1.662 628 HB3 ASP 81 3HB ASP 81 -3.291 8.546 -2.391 629 H GLN 82 H GLN 82 -6.364 10.034 -0.993 630 HA GLN 82 HA GLN 82 -7.160 7.478 -0.084 631 HB2 GLN 82 2HB GLN 82 -8.371 10.248 0.209 632 HB3 GLN 82 3HB GLN 82 -9.063 8.839 1.008 633 HG2 GLN 82 2HG GLN 82 -6.957 8.400 2.179 634 HG3 GLN 82 3HG GLN 82 -6.187 9.763 1.366 635 HE21 GLN 82 2HE2 GLN 82 -6.296 9.523 4.195 636 HE22 GLN 82 1HE2 GLN 82 -7.282 10.870 4.772 637 H GLN 83 H GLN 83 -9.088 9.766 -2.165 638 HA GLN 83 HA GLN 83 -11.200 7.892 -2.515 639 HB2 GLN 83 2HB GLN 83 -12.134 9.361 -4.087 640 HB3 GLN 83 3HB GLN 83 -11.375 10.351 -2.843 641 HG2 GLN 83 2HG GLN 83 -9.416 10.670 -4.403 642 HG3 GLN 83 3HG GLN 83 -10.296 9.803 -5.652 643 HE21 GLN 83 2HE2 GLN 83 -9.478 12.435 -6.257 644 HE22 GLN 83 1HE2 GLN 83 -10.911 13.443 -6.220 645 H LYS 84 H LYS 84 -8.110 8.056 -4.197 646 HA LYS 84 HA LYS 84 -8.958 6.399 -6.459 647 HB2 LYS 84 2HB LYS 84 -7.482 8.224 -6.849 648 HB3 LYS 84 3HB LYS 84 -6.411 7.767 -5.538 649 HG2 LYS 84 2HG LYS 84 -6.780 5.914 -7.893 650 HG3 LYS 84 3HG LYS 84 -5.767 7.344 -8.050 651 HD2 LYS 84 2HD LYS 84 -5.399 5.127 -6.015 652 HD3 LYS 84 3HD LYS 84 -4.431 5.388 -7.469 653 HE2 LYS 84 2HE LYS 84 -4.551 7.124 -4.973 654 HE3 LYS 84 3HE LYS 84 -3.232 6.073 -5.465 655 HZ1 LYS 84 3HZ LYS 84 -4.104 8.440 -7.040 656 HZ2 LYS 84 1HZ LYS 84 -2.871 8.459 -5.980 657 HZ3 LYS 84 2HZ LYS 84 -2.780 7.517 -7.328 658 H VAL 85 H VAL 85 -7.097 6.047 -3.407 659 HA VAL 85 HA VAL 85 -6.541 3.206 -3.781 660 HB VAL 85 HB VAL 85 -6.836 4.902 -1.263 661 HG11 VAL 85 1HG1 VAL 85 -5.634 3.071 -0.059 662 HG12 VAL 85 2HG1 VAL 85 -7.242 2.580 -0.588 663 HG13 VAL 85 3HG1 VAL 85 -5.806 2.034 -1.486 664 HG21 VAL 85 3HG2 VAL 85 -4.258 3.734 -2.355 665 HG22 VAL 85 1HG2 VAL 85 -4.829 5.333 -2.838 666 HG23 VAL 85 2HG2 VAL 85 -4.480 4.989 -1.138 667 H LYS 86 H LYS 86 -9.286 4.936 -2.177 668 HA LYS 86 HA LYS 86 -10.746 2.493 -1.674 669 HB2 LYS 86 2HB LYS 86 -11.740 5.371 -1.845 670 HB3 LYS 86 3HB LYS 86 -12.700 3.976 -1.329 671 HG2 LYS 86 2HG LYS 86 -10.805 3.532 0.394 672 HG3 LYS 86 3HG LYS 86 -10.229 5.131 0.014 673 HD2 LYS 86 2HD LYS 86 -11.531 5.165 2.053 674 HD3 LYS 86 3HD LYS 86 -12.360 6.122 0.807 675 HE2 LYS 86 2HE LYS 86 -13.958 4.370 0.437 676 HE3 LYS 86 3HE LYS 86 -12.990 3.208 1.360 677 HZ1 LYS 86 3HZ LYS 86 -14.244 5.592 2.605 678 HZ2 LYS 86 1HZ LYS 86 -14.933 4.112 2.601 679 HZ3 LYS 86 2HZ LYS 86 -13.528 4.328 3.387 680 H LYS 87 H LYS 87 -10.862 4.724 -4.488 681 HA LYS 87 HA LYS 87 -12.817 3.275 -5.975 682 HB2 LYS 87 2HB LYS 87 -11.966 5.506 -6.631 683 HB3 LYS 87 3HB LYS 87 -10.378 4.812 -6.961 684 HG2 LYS 87 2HG LYS 87 -11.507 5.202 -9.031 685 HG3 LYS 87 3HG LYS 87 -11.369 3.459 -8.810 686 HD2 LYS 87 2HD LYS 87 -13.734 3.371 -8.043 687 HD3 LYS 87 3HD LYS 87 -13.839 5.141 -8.200 688 HE2 LYS 87 2HE LYS 87 -13.343 4.937 -10.633 689 HE3 LYS 87 3HE LYS 87 -13.242 3.179 -10.466 690 HZ1 LYS 87 3HZ LYS 87 -15.679 4.802 -9.943 691 HZ2 LYS 87 1HZ LYS 87 -15.432 3.872 -11.259 692 HZ3 LYS 87 2HZ LYS 87 -15.588 3.176 -9.792 693 H THR 88 H THR 88 -9.261 2.792 -5.875 694 HA THR 88 HA THR 88 -9.243 0.604 -7.669 695 HB THR 88 HB THR 88 -7.175 1.203 -5.544 696 HG1 THR 88 1HG THR 88 -7.480 2.981 -6.855 697 HG21 THR 88 1HG2 THR 88 -7.081 -0.265 -8.223 698 HG22 THR 88 2HG2 THR 88 -5.658 0.171 -7.249 699 HG23 THR 88 3HG2 THR 88 -6.839 -0.984 -6.616 700 H ALA 89 H ALA 89 -9.766 0.663 -4.138 701 HA ALA 89 HA ALA 89 -9.671 -2.205 -3.778 702 HB1 ALA 89 1HB ALA 89 -10.703 -1.652 -1.617 703 HB2 ALA 89 2HB ALA 89 -9.326 -0.576 -1.950 704 HB3 ALA 89 3HB ALA 89 -10.990 0.012 -2.148 705 H GLU 90 H GLU 90 -12.286 0.183 -4.426 706 HA GLU 90 HA GLU 90 -14.399 -1.762 -4.462 707 HB2 GLU 90 2HB GLU 90 -14.126 1.043 -5.599 708 HB3 GLU 90 3HB GLU 90 -15.604 0.108 -5.786 709 HG2 GLU 90 2HG GLU 90 -14.383 0.692 -3.060 710 HG3 GLU 90 3HG GLU 90 -15.534 1.758 -3.856 711 H ALA 91 H ALA 91 -12.215 -0.579 -6.941 712 HA ALA 91 HA ALA 91 -13.421 -1.940 -9.174 713 HB1 ALA 91 1HB ALA 91 -10.669 -0.695 -8.725 714 HB2 ALA 91 2HB ALA 91 -11.346 -1.154 -10.305 715 HB3 ALA 91 3HB ALA 91 -12.100 0.138 -9.346 716 H GLY 92 H GLY 92 -11.720 -3.261 -6.557 717 HA2 GLY 92 2HA GLY 92 -10.885 -5.362 -6.161 718 HA3 GLY 92 3HA GLY 92 -11.415 -5.865 -7.773 719 H GLY 93 H GLY 93 -9.202 -3.161 -7.288 720 HA2 GLY 93 2HA GLY 93 -6.883 -3.097 -7.253 721 HA3 GLY 93 3HA GLY 93 -6.783 -4.771 -7.777 722 H VAL 94 H VAL 94 -5.539 -2.170 -8.661 723 HA VAL 94 HA VAL 94 -6.190 -2.062 -11.534 724 HB VAL 94 HB VAL 94 -5.452 -0.011 -10.470 725 HG11 VAL 94 1HG1 VAL 94 -2.749 -1.352 -10.033 726 HG12 VAL 94 2HG1 VAL 94 -3.134 0.360 -9.770 727 HG13 VAL 94 3HG1 VAL 94 -3.897 -0.873 -8.764 728 HG21 VAL 94 3HG2 VAL 94 -4.966 -0.395 -12.893 729 HG22 VAL 94 1HG2 VAL 94 -3.823 0.701 -12.101 730 HG23 VAL 94 2HG2 VAL 94 -3.337 -0.961 -12.470 731 H THR 95 H THR 95 -4.990 -2.922 -13.170 732 HA THR 95 HA THR 95 -2.536 -4.458 -12.554 733 HB THR 95 HB THR 95 -3.182 -6.282 -14.041 734 HG1 THR 95 1HG THR 95 -5.342 -6.468 -14.691 735 HG21 THR 95 1HG2 THR 95 -3.657 -6.463 -11.582 736 HG22 THR 95 2HG2 THR 95 -5.303 -5.880 -11.873 737 HG23 THR 95 3HG2 THR 95 -4.766 -7.424 -12.577 738 H GLY 96 H GLY 96 -1.079 -4.602 -14.365 739 HA2 GLY 96 2HA GLY 96 -0.212 -3.985 -16.430 740 HA3 GLY 96 3HA GLY 96 -1.743 -3.182 -16.810 741 H LYS 97 H LYS 97 -0.544 -1.939 -13.890 742 HA LYS 97 HA LYS 97 0.804 0.362 -15.261 743 HB2 LYS 97 2HB LYS 97 -1.326 0.548 -13.090 744 HB3 LYS 97 3HB LYS 97 -0.387 1.900 -13.737 745 HG2 LYS 97 2HG LYS 97 -1.284 1.320 -16.045 746 HG3 LYS 97 3HG LYS 97 -2.388 0.179 -15.255 747 HD2 LYS 97 2HD LYS 97 -3.338 2.064 -13.917 748 HD3 LYS 97 3HD LYS 97 -2.248 3.187 -14.759 749 HE2 LYS 97 2HE LYS 97 -3.257 2.515 -16.935 750 HE3 LYS 97 3HE LYS 97 -4.350 1.413 -16.089 751 HZ1 LYS 97 3HZ LYS 97 -5.425 3.538 -16.561 752 HZ2 LYS 97 1HZ LYS 97 -5.305 3.347 -14.946 753 HZ3 LYS 97 2HZ LYS 97 -4.293 4.364 -15.730 754 H GLY 98 H GLY 98 1.991 1.799 -13.813 755 HA2 GLY 98 2HA GLY 98 3.125 0.752 -11.330 756 HA3 GLY 98 3HA GLY 98 4.204 0.610 -12.720 757 H GLN 99 H GLN 99 5.568 2.017 -11.379 758 HA GLN 99 HA GLN 99 4.917 4.931 -11.610 759 HB2 GLN 99 2HB GLN 99 6.221 3.447 -9.297 760 HB3 GLN 99 3HB GLN 99 6.190 5.209 -9.468 761 HG2 GLN 99 2HG GLN 99 3.722 5.206 -9.437 762 HG3 GLN 99 3HG GLN 99 3.703 3.447 -9.288 763 HE21 GLN 99 2HE2 GLN 99 2.310 4.644 -7.378 764 HE22 GLN 99 1HE2 GLN 99 3.220 4.605 -5.859 765 H ASP 100 H ASP 100 6.657 6.350 -11.890 766 HA ASP 100 HA ASP 100 8.947 5.234 -13.374 767 HB2 ASP 100 2HB ASP 100 7.613 7.083 -14.311 768 HB3 ASP 100 3HB ASP 100 8.030 8.094 -12.924 769 H GLY 101 H GLY 101 11.127 5.737 -12.937 770 HA2 GLY 101 2HA GLY 101 13.005 6.223 -11.662 771 HA3 GLY 101 3HA GLY 101 11.996 6.990 -10.442 772 H ILE 102 H ILE 102 13.941 5.718 -9.377 773 HA ILE 102 HA ILE 102 12.863 3.249 -8.179 774 HB ILE 102 HB ILE 102 14.148 2.519 -10.142 775 HG12 ILE 102 2HG1 ILE 102 15.536 1.757 -7.546 776 HG13 ILE 102 3HG1 ILE 102 13.958 1.157 -8.073 777 HG21 ILE 102 1HG2 ILE 102 16.621 3.712 -8.812 778 HG22 ILE 102 2HG2 ILE 102 16.563 2.789 -10.324 779 HG23 ILE 102 3HG2 ILE 102 15.812 4.377 -10.245 780 HD11 ILE 102 3HD1 ILE 102 15.630 -0.501 -8.573 781 HD12 ILE 102 1HD1 ILE 102 15.040 0.178 -10.103 782 HD13 ILE 102 2HD1 ILE 102 16.624 0.668 -9.453 783 H GLY 103 H GLY 103 13.516 2.865 -6.113 784 HA2 GLY 103 2HA GLY 103 14.429 5.127 -4.581 785 HA3 GLY 103 3HA GLY 103 14.011 3.526 -3.966 786 H SER 104 H SER 104 16.353 2.724 -6.073 787 HA SER 104 HA SER 104 18.673 3.278 -4.287 788 HB2 SER 104 2HB SER 104 17.814 0.487 -5.146 789 HB3 SER 104 3HB SER 104 19.249 0.899 -4.196 790 HG SER 104 HG SER 104 17.848 1.671 -2.545 791 H LYS 105 H LYS 105 20.682 3.089 -5.228 792 HA LYS 105 HA LYS 105 21.013 2.068 -7.975 793 HB2 LYS 105 2HB LYS 105 20.450 4.564 -8.110 794 HB3 LYS 105 3HB LYS 105 21.959 4.874 -7.244 795 HG2 LYS 105 2HG LYS 105 23.184 3.668 -9.117 796 HG3 LYS 105 3HG LYS 105 21.632 3.516 -9.962 797 HD2 LYS 105 2HD LYS 105 21.453 6.030 -9.952 798 HD3 LYS 105 3HD LYS 105 23.043 6.096 -9.158 799 HE2 LYS 105 2HE LYS 105 23.916 4.697 -11.142 800 HE3 LYS 105 3HE LYS 105 22.376 5.044 -11.942 801 HZ1 LYS 105 3HZ LYS 105 24.053 6.672 -12.565 802 HZ2 LYS 105 1HZ LYS 105 22.931 7.446 -11.659 803 HZ3 LYS 105 2HZ LYS 105 24.382 7.024 -11.002 804 H ALA 106 H ALA 106 23.098 1.344 -8.393 805 HA ALA 106 HA ALA 106 25.004 1.255 -6.092 806 HB1 ALA 106 1HB ALA 106 24.628 -0.656 -8.428 807 HB2 ALA 106 2HB ALA 106 25.826 -0.811 -7.125 808 HB3 ALA 106 3HB ALA 106 24.094 -0.912 -6.751 809 H GLU 107 H GLU 107 26.086 3.176 -6.433 810 HA GLU 107 HA GLU 107 27.479 3.757 -8.962 811 HB2 GLU 107 2HB GLU 107 27.526 5.015 -6.198 812 HB3 GLU 107 3HB GLU 107 28.587 5.550 -7.490 813 HG2 GLU 107 2HG GLU 107 25.540 5.546 -7.650 814 HG3 GLU 107 3HG GLU 107 26.527 6.931 -7.198 815 H LYS 108 H LYS 108 29.739 3.832 -9.228 816 HA LYS 108 HA LYS 108 31.490 2.360 -7.364 817 HB2 LYS 108 2HB LYS 108 30.501 0.630 -8.867 818 HB3 LYS 108 3HB LYS 108 31.078 1.524 -10.269 819 HG2 LYS 108 2HG LYS 108 32.530 -0.351 -9.835 820 HG3 LYS 108 3HG LYS 108 33.427 1.142 -9.561 821 HD2 LYS 108 2HD LYS 108 33.166 0.873 -7.113 822 HD3 LYS 108 3HD LYS 108 32.168 -0.577 -7.370 823 HE2 LYS 108 2HE LYS 108 34.084 -1.682 -8.501 824 HE3 LYS 108 3HE LYS 108 35.070 -0.235 -8.254 825 HZ1 LYS 108 3HZ LYS 108 34.840 -0.568 -5.850 826 HZ2 LYS 108 1HZ LYS 108 33.926 -1.906 -6.077 827 HZ3 LYS 108 2HZ LYS 108 35.492 -1.897 -6.536 Start of MODEL 5 1 H1 MET 1 H1 MET 1 0.349 -3.441 21.376 2 H2 MET 1 H2 MET 1 1.135 -4.586 22.255 3 H3 MET 1 H3 MET 1 1.794 -3.094 22.054 4 HA MET 1 HA MET 1 -0.662 -3.735 23.541 5 HB2 MET 1 2HB MET 1 1.404 -4.384 24.733 6 HB3 MET 1 3HB MET 1 2.001 -2.727 24.626 7 HG2 MET 1 2HG MET 1 1.024 -3.181 26.816 8 HG3 MET 1 3HG MET 1 0.096 -1.939 25.981 9 HE1 MET 1 1HE MET 1 -1.831 -2.209 27.773 10 HE2 MET 1 2HE MET 1 -2.591 -3.762 28.186 11 HE3 MET 1 3HE MET 1 -0.887 -3.473 28.599 12 H ALA 2 H ALA 2 1.608 -0.904 23.502 13 HA ALA 2 HA ALA 2 -0.665 0.960 23.281 14 HB1 ALA 2 1HB ALA 2 2.355 1.393 23.247 15 HB2 ALA 2 2HB ALA 2 1.113 2.660 23.355 16 HB3 ALA 2 3HB ALA 2 1.298 1.492 24.677 17 H GLU 3 H GLU 3 1.752 -0.525 21.237 18 HA GLU 3 HA GLU 3 0.683 0.686 18.743 19 HB2 GLU 3 2HB GLU 3 2.522 -0.364 17.626 20 HB3 GLU 3 3HB GLU 3 3.131 0.599 18.961 21 HG2 GLU 3 2HG GLU 3 2.796 -2.440 19.040 22 HG3 GLU 3 3HG GLU 3 4.272 -1.616 18.580 23 H SER 4 H SER 4 0.052 -0.790 16.983 24 HA SER 4 HA SER 4 -0.885 -3.479 17.815 25 HB2 SER 4 2HB SER 4 -3.144 -3.059 17.009 26 HB3 SER 4 3HB SER 4 -2.729 -1.955 18.329 27 HG SER 4 HG SER 4 -3.714 -0.778 16.703 28 H SER 5 H SER 5 -1.156 -4.962 16.221 29 HA SER 5 HA SER 5 -0.606 -4.201 13.392 30 HB2 SER 5 2HB SER 5 0.799 -6.157 13.108 31 HB3 SER 5 3HB SER 5 1.461 -5.115 14.369 32 HG SER 5 HG SER 5 0.799 -6.536 15.917 33 H ASP 6 H ASP 6 -3.124 -4.594 14.737 34 HA ASP 6 HA ASP 6 -4.102 -7.107 13.658 35 HB2 ASP 6 2HB ASP 6 -4.701 -6.206 15.928 36 HB3 ASP 6 3HB ASP 6 -5.633 -4.939 15.134 37 H LYS 7 H LYS 7 -3.195 -5.144 11.731 38 HA LYS 7 HA LYS 7 -5.505 -5.102 9.937 39 HB2 LYS 7 2HB LYS 7 -3.954 -2.709 9.417 40 HB3 LYS 7 3HB LYS 7 -5.676 -2.954 9.534 41 HG2 LYS 7 2HG LYS 7 -5.193 -1.293 11.083 42 HG3 LYS 7 3HG LYS 7 -5.457 -2.729 12.075 43 HD2 LYS 7 2HD LYS 7 -2.984 -3.015 12.281 44 HD3 LYS 7 3HD LYS 7 -2.739 -1.664 11.188 45 HE2 LYS 7 2HE LYS 7 -4.171 -0.283 12.873 46 HE3 LYS 7 3HE LYS 7 -3.907 -1.618 14.003 47 HZ1 LYS 7 3HZ LYS 7 -1.486 -1.222 13.733 48 HZ2 LYS 7 1HZ LYS 7 -1.806 0.033 12.695 49 HZ3 LYS 7 2HZ LYS 7 -2.246 0.102 14.281 50 H LEU 8 H LEU 8 -4.994 -5.990 8.192 51 HA LEU 8 HA LEU 8 -2.394 -7.144 7.780 52 HB2 LEU 8 2HB LEU 8 -3.461 -8.490 6.149 53 HB3 LEU 8 3HB LEU 8 -4.418 -8.465 7.617 54 HG LEU 8 HG LEU 8 -5.065 -6.780 5.165 55 HD11 LEU 8 1HD1 LEU 8 -6.181 -9.490 6.004 56 HD12 LEU 8 2HD1 LEU 8 -6.740 -8.512 4.625 57 HD13 LEU 8 3HD1 LEU 8 -5.108 -9.188 4.616 58 HD21 LEU 8 3HD2 LEU 8 -7.405 -6.867 6.129 59 HD22 LEU 8 1HD2 LEU 8 -6.690 -7.481 7.633 60 HD23 LEU 8 2HD2 LEU 8 -6.275 -5.857 7.000 61 H TYR 9 H TYR 9 -3.652 -4.153 6.622 62 HA TYR 9 HA TYR 9 -1.743 -4.224 4.344 63 HB2 TYR 9 2HB TYR 9 -4.470 -2.911 4.329 64 HB3 TYR 9 3HB TYR 9 -3.306 -2.928 3.014 65 HD1 TYR 9 HD2 TYR 9 -2.492 -5.756 2.877 66 HD2 TYR 9 HD1 TYR 9 -6.370 -4.033 3.536 67 HE1 TYR 9 HE2 TYR 9 -3.552 -7.791 1.900 68 HE2 TYR 9 HE1 TYR 9 -7.441 -6.074 2.594 69 HH TYR 9 HH TYR 9 -7.088 -8.041 1.463 70 H ARG 10 H ARG 10 -0.878 -2.233 3.781 71 HA ARG 10 HA ARG 10 -1.063 0.019 5.704 72 HB2 ARG 10 2HB ARG 10 0.802 -1.267 6.498 73 HB3 ARG 10 3HB ARG 10 1.356 -1.583 4.874 74 HG2 ARG 10 2HG ARG 10 2.913 -0.099 5.886 75 HG3 ARG 10 3HG ARG 10 2.066 0.809 4.639 76 HD2 ARG 10 2HD ARG 10 0.546 1.715 6.426 77 HD3 ARG 10 3HD ARG 10 1.510 0.860 7.643 78 HE ARG 10 HE ARG 10 3.214 2.595 6.129 79 HH11 ARG 10 1HH2 ARG 10 0.687 2.882 8.646 80 HH12 ARG 10 2HH2 ARG 10 1.073 4.610 8.781 81 HH21 ARG 10 1HH1 ARG 10 3.698 4.669 6.726 82 HH22 ARG 10 2HH1 ARG 10 2.607 5.511 7.861 83 H VAL 11 H VAL 11 -0.798 2.049 4.710 84 HA VAL 11 HA VAL 11 0.350 2.213 1.977 85 HB VAL 11 HB VAL 11 -2.184 2.065 1.895 86 HG11 VAL 11 1HG1 VAL 11 -2.092 4.960 2.865 87 HG12 VAL 11 2HG1 VAL 11 -3.519 4.013 2.394 88 HG13 VAL 11 3HG1 VAL 11 -2.607 3.607 3.863 89 HG21 VAL 11 3HG2 VAL 11 -0.998 4.644 0.756 90 HG22 VAL 11 1HG2 VAL 11 -0.740 3.051 0.050 91 HG23 VAL 11 2HG2 VAL 11 -2.375 3.718 0.123 92 H GLU 12 H GLU 12 1.441 4.136 1.526 93 HA GLU 12 HA GLU 12 1.165 6.512 3.157 94 HB2 GLU 12 2HB GLU 12 3.433 6.559 4.097 95 HB3 GLU 12 3HB GLU 12 2.576 5.157 4.706 96 HG2 GLU 12 2HG GLU 12 3.762 3.709 3.063 97 HG3 GLU 12 3HG GLU 12 4.609 5.122 2.431 98 H TYR 13 H TYR 13 2.381 8.251 2.566 99 HA TYR 13 HA TYR 13 3.641 8.290 -0.083 100 HB2 TYR 13 2HB TYR 13 3.671 10.335 2.156 101 HB3 TYR 13 3HB TYR 13 4.165 10.595 0.488 102 HD1 TYR 13 HD1 TYR 13 1.867 9.197 -0.950 103 HD2 TYR 13 HD2 TYR 13 1.874 11.791 2.486 104 HE1 TYR 13 HE1 TYR 13 -0.298 10.178 -1.693 105 HE2 TYR 13 HE2 TYR 13 -0.332 12.724 1.785 106 HH TYR 13 HH TYR 13 -1.869 11.810 -1.317 107 H ALA 14 H ALA 14 5.692 7.857 -0.477 108 HA ALA 14 HA ALA 14 7.452 6.845 1.592 109 HB1 ALA 14 1HB ALA 14 7.761 7.310 -1.403 110 HB2 ALA 14 2HB ALA 14 8.932 6.440 -0.390 111 HB3 ALA 14 3HB ALA 14 7.285 5.805 -0.610 112 H LYS 15 H LYS 15 8.526 8.214 2.937 113 HA LYS 15 HA LYS 15 9.462 10.856 2.072 114 HB2 LYS 15 2HB LYS 15 8.589 10.519 4.335 115 HB3 LYS 15 3HB LYS 15 9.807 9.287 4.659 116 HG2 LYS 15 2HG LYS 15 10.444 11.320 5.772 117 HG3 LYS 15 3HG LYS 15 11.597 10.978 4.507 118 HD2 LYS 15 2HD LYS 15 9.934 12.691 3.129 119 HD3 LYS 15 3HD LYS 15 9.599 13.206 4.777 120 HE2 LYS 15 2HE LYS 15 11.389 14.592 4.171 121 HE3 LYS 15 3HE LYS 15 12.188 13.296 5.066 122 HZ1 LYS 15 3HZ LYS 15 12.528 12.240 2.771 123 HZ2 LYS 15 1HZ LYS 15 12.092 13.671 2.128 124 HZ3 LYS 15 2HZ LYS 15 13.428 13.577 3.069 125 H SER 16 H SER 16 10.892 7.689 2.264 126 HA SER 16 HA SER 16 13.310 8.626 0.900 127 HB2 SER 16 2HB SER 16 13.874 8.910 3.303 128 HB3 SER 16 3HB SER 16 13.549 7.186 3.570 129 HG SER 16 HG SER 16 15.802 7.748 3.144 130 H GLY 17 H GLY 17 14.525 6.863 -0.004 131 HA2 GLY 17 2HA GLY 17 12.789 4.772 -1.031 132 HA3 GLY 17 3HA GLY 17 14.435 5.120 -1.548 133 H ARG 18 H ARG 18 13.306 4.294 1.736 134 HA ARG 18 HA ARG 18 15.389 2.236 2.026 135 HB2 ARG 18 2HB ARG 18 13.217 3.141 3.964 136 HB3 ARG 18 3HB ARG 18 14.595 2.125 4.360 137 HG2 ARG 18 2HG ARG 18 14.663 5.051 3.534 138 HG3 ARG 18 3HG ARG 18 14.990 4.396 5.131 139 HD2 ARG 18 2HD ARG 18 16.683 3.967 2.634 140 HD3 ARG 18 3HD ARG 18 17.049 5.057 3.974 141 HE ARG 18 HE ARG 18 16.731 2.539 5.150 142 HH11 ARG 18 1HH2 ARG 18 18.965 3.928 2.836 143 HH12 ARG 18 2HH2 ARG 18 20.247 2.834 3.280 144 HH21 ARG 18 1HH1 ARG 18 18.403 1.169 5.660 145 HH22 ARG 18 2HH1 ARG 18 19.931 1.319 4.842 146 H ALA 19 H ALA 19 12.040 2.145 1.198 147 HA ALA 19 HA ALA 19 11.743 -0.715 1.889 148 HB1 ALA 19 1HB ALA 19 9.787 1.264 0.658 149 HB2 ALA 19 2HB ALA 19 9.427 -0.388 1.180 150 HB3 ALA 19 3HB ALA 19 9.888 0.827 2.383 151 H SER 20 H SER 20 11.436 -2.354 0.381 152 HA SER 20 HA SER 20 11.951 -1.739 -2.486 153 HB2 SER 20 2HB SER 20 13.188 -4.057 -0.974 154 HB3 SER 20 3HB SER 20 13.392 -3.680 -2.693 155 HG SER 20 HG SER 20 14.345 -1.651 -2.012 156 H CYS 21 HN CYS 21 11.125 -3.271 -4.014 157 HA CYS 21 HA CYS 21 8.410 -3.873 -3.136 158 HB2 CYS 21 2HB CYS 21 9.015 -2.479 -5.090 159 HB3 CYS 21 3HB CYS 21 9.715 -3.909 -5.868 160 H LYS 22 H LYS 22 7.657 -5.775 -2.626 161 HA LYS 22 HA LYS 22 9.244 -8.209 -2.916 162 HB2 LYS 22 2HB LYS 22 6.450 -7.773 -1.810 163 HB3 LYS 22 3HB LYS 22 7.402 -9.225 -1.571 164 HG2 LYS 22 2HG LYS 22 8.182 -6.437 -0.626 165 HG3 LYS 22 3HG LYS 22 7.326 -7.594 0.363 166 HD2 LYS 22 2HD LYS 22 10.097 -8.019 -0.840 167 HD3 LYS 22 3HD LYS 22 9.781 -7.467 0.813 168 HE2 LYS 22 2HE LYS 22 8.526 -9.573 1.279 169 HE3 LYS 22 3HE LYS 22 8.901 -10.150 -0.349 170 HZ1 LYS 22 3HZ LYS 22 10.475 -11.026 1.272 171 HZ2 LYS 22 1HZ LYS 22 11.269 -10.053 0.231 172 HZ3 LYS 22 2HZ LYS 22 10.922 -9.528 1.741 173 H LYS 23 H LYS 23 7.110 -6.789 -5.033 174 HA LYS 23 HA LYS 23 6.195 -9.391 -6.206 175 HB2 LYS 23 2HB LYS 23 4.412 -7.864 -5.601 176 HB3 LYS 23 3HB LYS 23 5.132 -6.580 -6.568 177 HG2 LYS 23 2HG LYS 23 3.202 -7.579 -7.683 178 HG3 LYS 23 3HG LYS 23 4.669 -7.809 -8.631 179 HD2 LYS 23 2HD LYS 23 4.822 -10.163 -7.857 180 HD3 LYS 23 3HD LYS 23 3.390 -9.930 -6.836 181 HE2 LYS 23 2HE LYS 23 2.035 -9.440 -8.842 182 HE3 LYS 23 3HE LYS 23 3.466 -9.587 -9.869 183 HZ1 LYS 23 3HZ LYS 23 2.323 -11.806 -8.249 184 HZ2 LYS 23 1HZ LYS 23 2.143 -11.631 -9.860 185 HZ3 LYS 23 2HZ LYS 23 3.621 -11.925 -9.235 186 H CYS 24 HN CYS 24 7.586 -6.260 -7.344 187 HA CYS 24 HA CYS 24 8.415 -7.680 -9.817 188 HB2 CYS 24 2HB CYS 24 8.496 -5.674 -10.946 189 HB3 CYS 24 3HB CYS 24 6.983 -5.682 -10.045 190 H SER 25 H SER 25 9.805 -7.067 -6.913 191 HA SER 25 HA SER 25 11.862 -7.184 -6.063 192 HB2 SER 25 2HB SER 25 12.708 -8.383 -8.706 193 HB3 SER 25 3HB SER 25 13.584 -8.478 -7.170 194 HG SER 25 HG SER 25 12.299 -10.343 -7.552 195 H GLU 26 H GLU 26 11.151 -4.727 -7.699 196 HA GLU 26 HA GLU 26 13.850 -3.509 -8.062 197 HB2 GLU 26 2HB GLU 26 11.083 -2.350 -8.496 198 HB3 GLU 26 3HB GLU 26 12.601 -1.572 -8.921 199 HG2 GLU 26 2HG GLU 26 11.585 -4.149 -10.202 200 HG3 GLU 26 3HG GLU 26 11.335 -2.536 -10.835 201 H SER 27 H SER 27 13.454 -0.945 -7.166 202 HA SER 27 HA SER 27 12.733 -1.216 -4.288 203 HB2 SER 27 2HB SER 27 15.235 -1.148 -4.816 204 HB3 SER 27 3HB SER 27 14.939 0.590 -5.152 205 HG SER 27 HG SER 27 15.484 0.226 -2.948 206 H ILE 28 H ILE 28 11.935 0.600 -3.218 207 HA ILE 28 HA ILE 28 10.080 1.830 -5.121 208 HB ILE 28 HB ILE 28 9.871 1.576 -2.109 209 HG12 ILE 28 2HG1 ILE 28 8.465 -0.089 -4.253 210 HG13 ILE 28 3HG1 ILE 28 9.911 -0.629 -3.407 211 HG21 ILE 28 1HG2 ILE 28 7.748 2.314 -4.185 212 HG22 ILE 28 2HG2 ILE 28 7.478 2.068 -2.454 213 HG23 ILE 28 3HG2 ILE 28 8.461 3.424 -2.995 214 HD11 ILE 28 3HD1 ILE 28 8.043 -1.647 -2.345 215 HD12 ILE 28 1HD1 ILE 28 8.724 -0.453 -1.230 216 HD13 ILE 28 2HD1 ILE 28 7.221 -0.100 -2.114 217 HA PRO 29 HA PRO 29 12.256 5.684 -4.503 218 HB2 PRO 29 2HB PRO 29 10.923 7.325 -6.226 219 HB3 PRO 29 3HB PRO 29 11.949 5.971 -6.792 220 HG2 PRO 29 2HG PRO 29 8.938 5.970 -6.400 221 HG3 PRO 29 3HG PRO 29 9.865 5.443 -7.842 222 HD2 PRO 29 2HD PRO 29 9.014 3.676 -5.951 223 HD3 PRO 29 3HD PRO 29 10.598 3.475 -6.768 224 H LYS 30 H LYS 30 12.101 7.683 -3.472 225 HA LYS 30 HA LYS 30 9.819 8.193 -1.735 226 HB2 LYS 30 2HB LYS 30 11.103 9.802 -0.684 227 HB3 LYS 30 3HB LYS 30 12.207 8.488 -1.104 228 HG2 LYS 30 2HG LYS 30 12.853 9.851 -3.163 229 HG3 LYS 30 3HG LYS 30 11.895 11.179 -2.487 230 HD2 LYS 30 2HD LYS 30 13.309 11.185 -0.447 231 HD3 LYS 30 3HD LYS 30 14.260 9.826 -1.103 232 HE2 LYS 30 2HE LYS 30 14.697 11.219 -3.150 233 HE3 LYS 30 3HE LYS 30 13.882 12.571 -2.351 234 HZ1 LYS 30 3HZ LYS 30 16.383 11.242 -1.404 235 HZ2 LYS 30 1HZ LYS 30 16.259 12.763 -2.009 236 HZ3 LYS 30 2HZ LYS 30 15.602 12.399 -0.556 237 H ASP 31 H ASP 31 8.919 10.393 -1.538 238 HA ASP 31 HA ASP 31 7.322 11.772 -2.301 239 HB2 ASP 31 2HB ASP 31 9.321 13.043 -3.035 240 HB3 ASP 31 3HB ASP 31 9.171 12.330 -4.640 241 H SER 32 H SER 32 6.821 9.186 -2.697 242 HA SER 32 HA SER 32 5.030 9.051 -5.038 243 HB2 SER 32 2HB SER 32 7.427 8.101 -5.543 244 HB3 SER 32 3HB SER 32 6.939 6.767 -4.482 245 HG SER 32 HG SER 32 5.742 7.665 -6.905 246 H LEU 33 H LEU 33 3.807 6.819 -4.882 247 HA LEU 33 HA LEU 33 2.799 6.628 -2.078 248 HB2 LEU 33 2HB LEU 33 1.284 7.573 -3.817 249 HB3 LEU 33 3HB LEU 33 1.438 6.079 -4.740 250 HG LEU 33 HG LEU 33 0.401 4.839 -2.809 251 HD11 LEU 33 1HD1 LEU 33 0.835 6.405 -0.958 252 HD12 LEU 33 2HD1 LEU 33 -0.144 7.651 -1.758 253 HD13 LEU 33 3HD1 LEU 33 -0.901 6.164 -1.158 254 HD21 LEU 33 3HD2 LEU 33 -1.877 5.596 -3.279 255 HD22 LEU 33 1HD2 LEU 33 -1.260 7.141 -3.915 256 HD23 LEU 33 2HD2 LEU 33 -0.918 5.618 -4.769 257 H ARG 34 H ARG 34 2.858 4.697 -1.007 258 HA ARG 34 HA ARG 34 3.363 2.183 -2.501 259 HB2 ARG 34 2HB ARG 34 5.248 1.551 -1.187 260 HB3 ARG 34 3HB ARG 34 5.555 3.080 -2.009 261 HG2 ARG 34 2HG ARG 34 5.218 4.313 0.111 262 HG3 ARG 34 3HG ARG 34 4.893 2.780 0.955 263 HD2 ARG 34 2HD ARG 34 7.142 1.953 0.376 264 HD3 ARG 34 3HD ARG 34 7.453 3.422 -0.564 265 HE ARG 34 HE ARG 34 6.834 3.810 2.312 266 HH11 ARG 34 1HH2 ARG 34 9.460 3.688 -0.048 267 HH12 ARG 34 2HH2 ARG 34 10.504 4.594 1.023 268 HH21 ARG 34 1HH1 ARG 34 8.172 4.756 3.546 269 HH22 ARG 34 2HH1 ARG 34 9.870 5.009 3.110 270 H MET 35 H MET 35 3.064 0.288 -1.333 271 HA MET 35 HA MET 35 1.264 0.490 1.003 272 HB2 MET 35 2HB MET 35 0.770 -1.069 -1.565 273 HB3 MET 35 3HB MET 35 -0.052 -1.444 -0.041 274 HG2 MET 35 2HG MET 35 -0.888 0.877 0.074 275 HG3 MET 35 3HG MET 35 -0.140 1.221 -1.488 276 HE1 MET 35 3HE MET 35 -4.005 -1.173 -0.673 277 HE2 MET 35 1HE MET 35 -2.440 -1.850 -0.143 278 HE3 MET 35 2HE MET 35 -3.015 -0.295 0.518 279 H ALA 36 H ALA 36 1.047 -1.519 2.198 280 HA ALA 36 HA ALA 36 3.232 -3.436 1.860 281 HB1 ALA 36 1HB ALA 36 3.353 -2.821 4.638 282 HB2 ALA 36 2HB ALA 36 4.596 -2.590 3.408 283 HB3 ALA 36 3HB ALA 36 3.453 -1.284 3.757 284 H ILE 37 H ILE 37 3.081 -5.282 3.421 285 HA ILE 37 HA ILE 37 0.279 -5.765 4.329 286 HB ILE 37 HB ILE 37 1.928 -7.194 2.350 287 HG12 ILE 37 2HG1 ILE 37 -1.007 -7.387 3.116 288 HG13 ILE 37 3HG1 ILE 37 -0.327 -6.084 2.124 289 HG21 ILE 37 1HG2 ILE 37 0.505 -8.915 4.401 290 HG22 ILE 37 2HG2 ILE 37 1.243 -9.437 2.847 291 HG23 ILE 37 3HG2 ILE 37 2.267 -8.824 4.140 292 HD11 ILE 37 3HD1 ILE 37 -1.387 -7.709 0.723 293 HD12 ILE 37 1HD1 ILE 37 0.363 -7.726 0.435 294 HD13 ILE 37 2HD1 ILE 37 -0.401 -9.022 1.394 295 H MET 38 H MET 38 -0.055 -6.682 6.265 296 HA MET 38 HA MET 38 2.338 -7.010 7.961 297 HB2 MET 38 2HB MET 38 0.153 -5.661 8.526 298 HB3 MET 38 3HB MET 38 -0.525 -7.246 8.890 299 HG2 MET 38 2HG MET 38 0.208 -6.697 10.947 300 HG3 MET 38 3HG MET 38 1.679 -7.476 10.371 301 HE1 MET 38 3HE MET 38 3.736 -6.092 9.407 302 HE2 MET 38 1HE MET 38 2.788 -5.004 8.367 303 HE3 MET 38 2HE MET 38 3.944 -4.328 9.541 304 H VAL 39 H VAL 39 3.346 -8.864 7.981 305 HA VAL 39 HA VAL 39 1.733 -11.365 8.315 306 HB VAL 39 HB VAL 39 2.506 -11.241 6.011 307 HG11 VAL 39 1HG1 VAL 39 5.348 -11.305 7.098 308 HG12 VAL 39 2HG1 VAL 39 4.839 -11.429 5.402 309 HG13 VAL 39 3HG1 VAL 39 4.579 -9.922 6.291 310 HG21 VAL 39 3HG2 VAL 39 3.447 -13.426 5.809 311 HG22 VAL 39 1HG2 VAL 39 4.005 -13.420 7.488 312 HG23 VAL 39 2HG2 VAL 39 2.260 -13.438 7.120 313 H GLN 40 H GLN 40 2.503 -12.921 9.645 314 HA GLN 40 HA GLN 40 4.345 -12.136 11.756 315 HB2 GLN 40 2HB GLN 40 3.922 -14.551 12.492 316 HB3 GLN 40 3HB GLN 40 2.581 -13.409 12.538 317 HG2 GLN 40 2HG GLN 40 1.611 -14.314 10.500 318 HG3 GLN 40 3HG GLN 40 3.007 -15.360 10.237 319 HE21 GLN 40 2HE2 GLN 40 0.910 -16.853 10.132 320 HE22 GLN 40 1HE2 GLN 40 0.525 -17.635 11.659 321 H SER 41 H SER 41 6.461 -12.559 11.988 322 HA SER 41 HA SER 41 7.853 -13.786 9.696 323 HB2 SER 41 2HB SER 41 8.535 -11.584 10.404 324 HB3 SER 41 3HB SER 41 8.892 -12.196 12.032 325 HG SER 41 HG SER 41 10.609 -12.070 10.169 326 HA PRO 42 HA PRO 42 9.091 -17.344 12.072 327 HB2 PRO 42 2HB PRO 42 10.944 -17.772 9.738 328 HB3 PRO 42 3HB PRO 42 9.848 -18.941 10.531 329 HG2 PRO 42 2HG PRO 42 9.200 -17.838 8.131 330 HG3 PRO 42 3HG PRO 42 7.949 -18.052 9.403 331 HD2 PRO 42 2HD PRO 42 9.507 -15.535 8.718 332 HD3 PRO 42 3HD PRO 42 7.750 -15.750 8.993 333 H MET 43 H MET 43 11.028 -14.689 11.006 334 HA MET 43 HA MET 43 13.473 -15.608 12.467 335 HB2 MET 43 2HB MET 43 13.083 -13.713 10.150 336 HB3 MET 43 3HB MET 43 14.610 -13.887 11.005 337 HG2 MET 43 2HG MET 43 15.069 -15.954 10.181 338 HG3 MET 43 3HG MET 43 13.387 -16.454 10.099 339 HE1 MET 43 3HE MET 43 12.014 -15.112 6.821 340 HE2 MET 43 1HE MET 43 11.824 -16.253 8.174 341 HE3 MET 43 2HE MET 43 11.818 -14.508 8.485 342 H PHE 44 H PHE 44 11.055 -13.078 12.427 343 HA PHE 44 HA PHE 44 12.562 -11.479 14.454 344 HB2 PHE 44 2HB PHE 44 12.126 -10.245 12.425 345 HB3 PHE 44 3HB PHE 44 10.428 -10.675 12.459 346 HD1 PHE 44 HD2 PHE 44 13.045 -8.825 14.414 347 HD2 PHE 44 HD1 PHE 44 8.846 -9.297 13.546 348 HE1 PHE 44 HE2 PHE 44 12.532 -6.808 15.774 349 HE2 PHE 44 HE1 PHE 44 8.337 -7.276 14.895 350 HZ PHE 44 HZ PHE 44 10.180 -6.034 16.017 351 H ASP 45 H ASP 45 11.309 -10.495 16.141 352 HA ASP 45 HA ASP 45 9.702 -12.527 17.492 353 HB2 ASP 45 2HB ASP 45 10.838 -9.879 18.452 354 HB3 ASP 45 3HB ASP 45 10.035 -11.071 19.476 355 H GLY 46 H GLY 46 8.237 -11.473 15.362 356 HA2 GLY 46 2HA GLY 46 5.679 -10.963 16.287 357 HA3 GLY 46 3HA GLY 46 6.415 -9.360 16.200 358 H LYS 47 H LYS 47 5.131 -8.606 14.565 359 HA LYS 47 HA LYS 47 5.148 -10.057 11.962 360 HB2 LYS 47 2HB LYS 47 3.114 -7.983 12.829 361 HB3 LYS 47 3HB LYS 47 3.074 -9.045 11.420 362 HG2 LYS 47 2HG LYS 47 3.331 -10.886 13.485 363 HG3 LYS 47 3HG LYS 47 2.404 -9.621 14.277 364 HD2 LYS 47 2HD LYS 47 1.715 -11.111 11.719 365 HD3 LYS 47 3HD LYS 47 1.019 -11.418 13.304 366 HE2 LYS 47 2HE LYS 47 0.710 -8.817 11.736 367 HE3 LYS 47 3HE LYS 47 -0.440 -10.156 11.695 368 HZ1 LYS 47 3HZ LYS 47 0.255 -8.584 14.132 369 HZ2 LYS 47 1HZ LYS 47 -1.116 -8.461 13.285 370 HZ3 LYS 47 2HZ LYS 47 -0.792 -9.854 14.093 371 H VAL 48 H VAL 48 5.474 -9.061 10.064 372 HA VAL 48 HA VAL 48 7.092 -6.558 10.181 373 HB VAL 48 HB VAL 48 8.623 -7.597 8.549 374 HG11 VAL 48 1HG1 VAL 48 9.116 -7.594 10.993 375 HG12 VAL 48 2HG1 VAL 48 8.367 -9.198 11.133 376 HG13 VAL 48 3HG1 VAL 48 9.830 -8.981 10.157 377 HG21 VAL 48 3HG2 VAL 48 8.682 -10.034 8.249 378 HG22 VAL 48 1HG2 VAL 48 7.160 -10.206 9.143 379 HG23 VAL 48 2HG2 VAL 48 7.190 -9.360 7.585 380 HA PRO 49 HA PRO 49 4.605 -5.445 6.680 381 HB2 PRO 49 2HB PRO 49 5.750 -3.110 5.887 382 HB3 PRO 49 3HB PRO 49 4.897 -3.284 7.450 383 HG2 PRO 49 2HG PRO 49 7.883 -3.423 6.932 384 HG3 PRO 49 3HG PRO 49 7.021 -2.518 8.212 385 HD2 PRO 49 2HD PRO 49 8.159 -5.001 8.608 386 HD3 PRO 49 3HD PRO 49 6.705 -4.445 9.490 387 H HIS 50 H HIS 50 4.573 -6.372 4.698 388 HA HIS 50 HA HIS 50 7.057 -6.607 3.038 389 HB2 HIS 50 2HB HIS 50 4.315 -7.908 2.966 390 HB3 HIS 50 3HB HIS 50 5.382 -7.939 1.573 391 HD2 HIS 50 HD2 HIS 50 6.845 -8.329 5.106 392 HE1 HIS 50 HE1 HIS 50 7.027 -12.170 3.271 393 HE2 HIS 50 HE2 HIS 50 7.771 -10.797 5.284 394 H TRP 51 H TRP 51 7.461 -4.639 2.131 395 HA TRP 51 HA TRP 51 5.324 -2.886 1.277 396 HB2 TRP 51 2HB TRP 51 8.313 -2.680 0.838 397 HB3 TRP 51 3HB TRP 51 7.126 -1.415 0.544 398 HD1 TRP 51 HD1 TRP 51 9.138 -3.025 3.278 399 HE1 TRP 51 HE1 TRP 51 8.822 -1.774 5.490 400 HE3 TRP 51 HE3 TRP 51 5.304 0.116 1.904 401 HZ2 TRP 51 HZ2 TRP 51 7.032 0.185 6.589 402 HZ3 TRP 51 HZ3 TRP 51 4.207 1.553 3.648 403 HH2 TRP 51 HH2 TRP 51 5.107 1.623 5.952 404 H TYR 52 H TYR 52 4.785 -2.231 -0.785 405 HA TYR 52 HA TYR 52 6.290 -3.184 -3.092 406 HB2 TYR 52 2HB TYR 52 3.397 -3.560 -3.539 407 HB3 TYR 52 3HB TYR 52 4.816 -4.431 -4.124 408 HD1 TYR 52 HD2 TYR 52 2.888 -4.154 -0.851 409 HD2 TYR 52 HD1 TYR 52 4.904 -6.632 -3.740 410 HE1 TYR 52 HE2 TYR 52 2.171 -6.216 0.387 411 HE2 TYR 52 HE1 TYR 52 4.179 -8.666 -2.514 412 HH TYR 52 HH TYR 52 3.099 -9.495 -0.689 413 H HIS 53 H HIS 53 5.679 -2.003 -5.056 414 HA HIS 53 HA HIS 53 5.036 0.796 -4.787 415 HB2 HIS 53 2HB HIS 53 4.642 -1.057 -7.170 416 HB3 HIS 53 3HB HIS 53 4.528 0.670 -7.231 417 HD2 HIS 53 HD2 HIS 53 6.826 2.105 -6.637 418 HE1 HIS 53 HE1 HIS 53 9.425 -0.916 -8.137 419 HE2 HIS 53 HE2 HIS 53 9.246 1.536 -7.519 420 H PHE 54 H PHE 54 3.019 1.933 -5.393 421 HA PHE 54 HA PHE 54 0.737 0.937 -4.078 422 HB2 PHE 54 2HB PHE 54 0.905 3.265 -4.438 423 HB3 PHE 54 3HB PHE 54 1.077 3.082 -6.181 424 HD1 PHE 54 HD1 PHE 54 -1.414 2.229 -3.439 425 HD2 PHE 54 HD2 PHE 54 -0.804 3.499 -7.521 426 HE1 PHE 54 HE1 PHE 54 -3.864 2.319 -3.783 427 HE2 PHE 54 HE2 PHE 54 -3.272 3.648 -7.822 428 HZ PHE 54 HZ PHE 54 -4.787 3.009 -5.972 429 H SER 55 H SER 55 1.602 0.654 -7.573 430 HA SER 55 HA SER 55 -0.929 -0.592 -8.319 431 HB2 SER 55 2HB SER 55 0.253 -0.927 -10.495 432 HB3 SER 55 3HB SER 55 0.188 0.758 -9.944 433 HG SER 55 HG SER 55 2.287 0.173 -10.684 434 H CYS 56 HN CYS 56 2.408 -1.717 -7.649 435 HA CYS 56 HA CYS 56 2.120 -4.347 -8.399 436 HB2 CYS 56 2HB CYS 56 3.838 -3.057 -6.277 437 HB3 CYS 56 3HB CYS 56 3.960 -4.766 -6.675 438 H PHE 57 H PHE 57 1.147 -2.915 -5.292 439 HA PHE 57 HA PHE 57 0.534 -5.161 -3.714 440 HB2 PHE 57 2HB PHE 57 0.405 -2.892 -2.924 441 HB3 PHE 57 3HB PHE 57 -0.927 -2.527 -4.016 442 HD1 PHE 57 HD1 PHE 57 -3.155 -3.614 -3.703 443 HD2 PHE 57 HD2 PHE 57 0.014 -4.085 -0.826 444 HE1 PHE 57 HE1 PHE 57 -4.798 -4.441 -2.050 445 HE2 PHE 57 HE2 PHE 57 -1.648 -4.848 0.857 446 HZ PHE 57 HZ PHE 57 -4.052 -5.048 0.241 447 H TRP 58 H TRP 58 -1.619 -3.572 -6.126 448 HA TRP 58 HA TRP 58 -3.707 -5.559 -5.861 449 HB2 TRP 58 2HB TRP 58 -3.331 -3.580 -8.122 450 HB3 TRP 58 3HB TRP 58 -4.822 -4.345 -7.569 451 HD1 TRP 58 HD1 TRP 58 -2.544 -1.436 -6.950 452 HE1 TRP 58 HE1 TRP 58 -3.335 0.033 -5.020 453 HE3 TRP 58 HE3 TRP 58 -6.383 -4.372 -5.268 454 HZ2 TRP 58 HZ2 TRP 58 -5.468 -0.017 -3.017 455 HZ3 TRP 58 HZ3 TRP 58 -7.776 -3.627 -3.361 456 HH2 TRP 58 HH2 TRP 58 -7.302 -1.446 -2.236 457 H LYS 59 H LYS 59 -0.926 -5.173 -7.985 458 HA LYS 59 HA LYS 59 -1.525 -7.256 -9.874 459 HB2 LYS 59 2HB LYS 59 0.083 -5.300 -10.057 460 HB3 LYS 59 3HB LYS 59 1.159 -6.190 -8.972 461 HG2 LYS 59 2HG LYS 59 1.502 -7.928 -10.593 462 HG3 LYS 59 3HG LYS 59 0.210 -7.284 -11.626 463 HD2 LYS 59 2HD LYS 59 2.399 -6.647 -12.544 464 HD3 LYS 59 3HD LYS 59 1.502 -5.226 -12.003 465 HE2 LYS 59 2HE LYS 59 2.846 -5.548 -9.753 466 HE3 LYS 59 3HE LYS 59 3.918 -6.561 -10.714 467 HZ1 LYS 59 3HZ LYS 59 4.455 -4.662 -12.054 468 HZ2 LYS 59 1HZ LYS 59 3.217 -3.768 -11.450 469 HZ3 LYS 59 2HZ LYS 59 4.467 -4.124 -10.487 470 H VAL 60 H VAL 60 -0.331 -7.427 -6.529 471 HA VAL 60 HA VAL 60 0.444 -10.246 -6.761 472 HB VAL 60 HB VAL 60 -0.624 -9.082 -4.210 473 HG11 VAL 60 1HG1 VAL 60 1.589 -11.092 -4.837 474 HG12 VAL 60 2HG1 VAL 60 1.155 -10.548 -3.208 475 HG13 VAL 60 3HG1 VAL 60 -0.008 -11.466 -4.150 476 HG21 VAL 60 3HG2 VAL 60 1.713 -8.398 -3.605 477 HG22 VAL 60 1HG2 VAL 60 2.144 -8.547 -5.326 478 HG23 VAL 60 2HG2 VAL 60 0.927 -7.374 -4.773 479 H GLY 61 H GLY 61 -2.624 -8.640 -6.760 480 HA2 GLY 61 2HA GLY 61 -4.671 -9.639 -7.270 481 HA3 GLY 61 3HA GLY 61 -4.095 -11.209 -6.715 482 H HIS 62 H HIS 62 -3.552 -8.533 -4.526 483 HA HIS 62 HA HIS 62 -5.344 -9.654 -2.532 484 HB2 HIS 62 2HB HIS 62 -3.682 -7.125 -2.535 485 HB3 HIS 62 3HB HIS 62 -4.598 -7.726 -1.151 486 HD2 HIS 62 HD2 HIS 62 -1.221 -7.746 -2.352 487 HE1 HIS 62 HE1 HIS 62 -1.476 -11.511 -0.365 488 HE2 HIS 62 HE2 HIS 62 0.118 -9.790 -1.352 489 H SER 63 H SER 63 -7.079 -8.653 -1.493 490 HA SER 63 HA SER 63 -8.532 -6.472 -2.919 491 HB2 SER 63 2HB SER 63 -9.724 -9.132 -2.037 492 HB3 SER 63 3HB SER 63 -10.648 -7.728 -2.601 493 HG SER 63 HG SER 63 -10.250 -9.267 -4.274 494 H ILE 64 H ILE 64 -9.868 -5.230 -1.690 495 HA ILE 64 HA ILE 64 -9.615 -5.419 1.280 496 HB ILE 64 HB ILE 64 -9.279 -2.848 -0.277 497 HG12 ILE 64 2HG1 ILE 64 -7.066 -4.773 0.468 498 HG13 ILE 64 3HG1 ILE 64 -7.446 -4.095 -1.101 499 HG21 ILE 64 1HG2 ILE 64 -8.501 -3.671 2.547 500 HG22 ILE 64 2HG2 ILE 64 -8.284 -2.063 1.843 501 HG23 ILE 64 3HG2 ILE 64 -9.915 -2.686 2.108 502 HD11 ILE 64 3HD1 ILE 64 -6.125 -2.730 1.238 503 HD12 ILE 64 1HD1 ILE 64 -5.552 -2.903 -0.420 504 HD13 ILE 64 2HD1 ILE 64 -6.877 -1.787 -0.069 505 H ARG 65 H ARG 65 -11.469 -4.807 2.393 506 HA ARG 65 HA ARG 65 -13.810 -3.977 0.722 507 HB2 ARG 65 2HB ARG 65 -15.281 -5.538 1.653 508 HB3 ARG 65 3HB ARG 65 -13.931 -6.368 0.916 509 HG2 ARG 65 2HG ARG 65 -14.266 -5.958 3.935 510 HG3 ARG 65 3HG ARG 65 -14.796 -7.363 3.018 511 HD2 ARG 65 2HD ARG 65 -12.278 -7.419 2.192 512 HD3 ARG 65 3HD ARG 65 -11.997 -6.497 3.671 513 HE ARG 65 HE ARG 65 -13.643 -8.906 4.010 514 HH11 ARG 65 1HH2 ARG 65 -10.313 -7.742 4.370 515 HH12 ARG 65 2HH2 ARG 65 -9.801 -9.292 4.967 516 HH21 ARG 65 1HH1 ARG 65 -12.896 -10.746 4.934 517 HH22 ARG 65 2HH1 ARG 65 -11.219 -10.890 5.365 518 H HIS 66 H HIS 66 -12.173 -3.486 3.654 519 HA HIS 66 HA HIS 66 -13.871 -1.134 4.074 520 HB2 HIS 66 2HB HIS 66 -13.918 -1.354 6.500 521 HB3 HIS 66 3HB HIS 66 -14.936 -2.487 5.640 522 HD2 HIS 66 HD2 HIS 66 -12.786 -4.913 5.251 523 HE1 HIS 66 HE1 HIS 66 -12.959 -5.032 9.485 524 HE2 HIS 66 HE2 HIS 66 -12.333 -6.334 7.399 525 HA PRO 67 HA PRO 67 -9.357 -0.888 3.583 526 HB2 PRO 67 2HB PRO 67 -9.230 1.407 1.973 527 HB3 PRO 67 3HB PRO 67 -9.498 -0.243 1.350 528 HG2 PRO 67 2HG PRO 67 -11.585 1.818 2.079 529 HG3 PRO 67 3HG PRO 67 -11.462 0.855 0.562 530 HD2 PRO 67 2HD PRO 67 -13.124 0.099 2.505 531 HD3 PRO 67 3HD PRO 67 -12.093 -1.142 1.722 532 H ASP 68 H ASP 68 -11.418 1.838 4.627 533 HA ASP 68 HA ASP 68 -9.181 3.273 5.790 534 HB2 ASP 68 2HB ASP 68 -10.965 4.672 6.838 535 HB3 ASP 68 3HB ASP 68 -11.038 4.556 5.087 536 H VAL 69 H VAL 69 -10.694 0.434 6.708 537 HA VAL 69 HA VAL 69 -9.822 0.674 9.539 538 HB VAL 69 HB VAL 69 -11.382 -1.601 8.277 539 HG11 VAL 69 1HG1 VAL 69 -11.983 -2.123 10.613 540 HG12 VAL 69 2HG1 VAL 69 -10.237 -2.193 10.367 541 HG13 VAL 69 3HG1 VAL 69 -10.959 -0.784 11.180 542 HG21 VAL 69 3HG2 VAL 69 -13.395 -0.652 9.389 543 HG22 VAL 69 1HG2 VAL 69 -12.467 0.815 9.782 544 HG23 VAL 69 2HG2 VAL 69 -12.795 0.374 8.089 545 H GLU 70 H GLU 70 -9.460 -1.317 6.596 546 HA GLU 70 HA GLU 70 -7.473 -3.097 7.834 547 HB2 GLU 70 2HB GLU 70 -8.398 -2.791 4.932 548 HB3 GLU 70 3HB GLU 70 -7.416 -4.116 5.553 549 HG2 GLU 70 2HG GLU 70 -9.246 -4.934 6.917 550 HG3 GLU 70 3HG GLU 70 -10.256 -3.560 6.464 551 H VAL 71 H VAL 71 -7.268 -0.360 5.625 552 HA VAL 71 HA VAL 71 -4.360 -0.767 5.144 553 HB VAL 71 HB VAL 71 -6.106 1.433 4.055 554 HG11 VAL 71 1HG1 VAL 71 -3.427 0.220 3.256 555 HG12 VAL 71 2HG1 VAL 71 -4.262 1.606 2.504 556 HG13 VAL 71 3HG1 VAL 71 -3.632 1.729 4.166 557 HG21 VAL 71 3HG2 VAL 71 -6.063 0.056 1.963 558 HG22 VAL 71 1HG2 VAL 71 -5.325 -1.280 2.884 559 HG23 VAL 71 2HG2 VAL 71 -6.973 -0.747 3.248 560 H ASP 72 H ASP 72 -3.477 -0.521 7.069 561 HA ASP 72 HA ASP 72 -3.722 1.706 8.859 562 HB2 ASP 72 2HB ASP 72 -2.722 -0.472 9.339 563 HB3 ASP 72 3HB ASP 72 -1.437 -0.182 8.171 564 H GLY 73 H GLY 73 -2.721 3.720 8.819 565 HA2 GLY 73 2HA GLY 73 -1.425 5.501 8.050 566 HA3 GLY 73 3HA GLY 73 -0.732 4.467 6.802 567 H PHE 74 H PHE 74 -4.030 4.102 6.412 568 HA PHE 74 HA PHE 74 -4.345 5.764 4.124 569 HB2 PHE 74 2HB PHE 74 -5.718 3.813 4.688 570 HB3 PHE 74 3HB PHE 74 -6.376 4.640 6.095 571 HD1 PHE 74 HD1 PHE 74 -6.308 4.518 2.382 572 HD2 PHE 74 HD2 PHE 74 -8.209 6.212 5.866 573 HE1 PHE 74 HE1 PHE 74 -8.197 5.316 0.975 574 HE2 PHE 74 HE2 PHE 74 -10.097 6.999 4.447 575 HZ PHE 74 HZ PHE 74 -10.088 6.546 2.012 576 H SER 75 H SER 75 -4.729 6.509 7.556 577 HA SER 75 HA SER 75 -5.942 9.109 7.332 578 HB2 SER 75 2HB SER 75 -4.977 9.321 9.675 579 HB3 SER 75 3HB SER 75 -6.084 7.959 9.405 580 HG SER 75 HG SER 75 -4.162 7.349 10.545 581 H GLU 76 H GLU 76 -2.650 8.040 6.743 582 HA GLU 76 HA GLU 76 -1.472 10.690 7.247 583 HB2 GLU 76 2HB GLU 76 -0.233 8.181 6.042 584 HB3 GLU 76 3HB GLU 76 0.618 9.653 6.489 585 HG2 GLU 76 2HG GLU 76 0.019 9.331 8.858 586 HG3 GLU 76 3HG GLU 76 -0.897 7.877 8.451 587 H LEU 77 H LEU 77 -3.040 9.126 4.627 588 HA LEU 77 HA LEU 77 -1.784 10.599 2.435 589 HB2 LEU 77 2HB LEU 77 -4.377 9.028 2.581 590 HB3 LEU 77 3HB LEU 77 -3.635 9.632 1.108 591 HG LEU 77 HG LEU 77 -2.484 7.477 2.934 592 HD11 LEU 77 1HD1 LEU 77 -4.451 6.762 1.648 593 HD12 LEU 77 2HD1 LEU 77 -3.752 7.423 0.155 594 HD13 LEU 77 3HD1 LEU 77 -2.992 6.040 0.949 595 HD21 LEU 77 3HD2 LEU 77 -0.660 8.742 1.844 596 HD22 LEU 77 1HD2 LEU 77 -0.821 7.119 1.169 597 HD23 LEU 77 2HD2 LEU 77 -1.454 8.516 0.268 598 H ARG 78 H ARG 78 -2.895 12.102 1.062 599 HA ARG 78 HA ARG 78 -4.876 13.877 2.393 600 HB2 ARG 78 2HB ARG 78 -3.357 14.079 -0.248 601 HB3 ARG 78 3HB ARG 78 -4.654 15.181 0.171 602 HG2 ARG 78 2HG ARG 78 -2.126 14.808 1.833 603 HG3 ARG 78 3HG ARG 78 -2.422 16.111 0.676 604 HD2 ARG 78 2HD ARG 78 -4.440 16.797 1.982 605 HD3 ARG 78 3HD ARG 78 -4.080 15.581 3.193 606 HE ARG 78 HE ARG 78 -2.711 18.139 2.773 607 HH11 ARG 78 1HH2 ARG 78 -2.367 15.013 4.334 608 HH12 ARG 78 2HH2 ARG 78 -1.170 15.607 5.450 609 HH21 ARG 78 1HH1 ARG 78 -1.186 18.819 4.229 610 HH22 ARG 78 2HH1 ARG 78 -0.526 17.705 5.390 611 H TRP 79 H TRP 79 -6.720 14.604 1.213 612 HA TRP 79 HA TRP 79 -8.476 12.504 1.143 613 HB2 TRP 79 2HB TRP 79 -9.696 14.306 1.567 614 HB3 TRP 79 3HB TRP 79 -8.596 15.379 0.731 615 HD1 TRP 79 HD1 TRP 79 -11.888 13.578 0.248 616 HE1 TRP 79 HE1 TRP 79 -12.991 14.374 -1.933 617 HE3 TRP 79 HE3 TRP 79 -7.994 16.270 -1.672 618 HZ2 TRP 79 HZ2 TRP 79 -12.246 15.947 -4.252 619 HZ3 TRP 79 HZ3 TRP 79 -8.198 17.404 -3.868 620 HH2 TRP 79 HH2 TRP 79 -10.321 17.253 -5.169 621 H ASP 80 H ASP 80 -6.969 13.985 -1.753 622 HA ASP 80 HA ASP 80 -8.584 12.606 -3.667 623 HB2 ASP 80 2HB ASP 80 -7.281 14.671 -4.096 624 HB3 ASP 80 3HB ASP 80 -5.782 13.760 -3.930 625 H ASP 81 H ASP 81 -5.718 11.552 -1.913 626 HA ASP 81 HA ASP 81 -5.252 9.207 -3.656 627 HB2 ASP 81 2HB ASP 81 -3.833 10.268 -1.193 628 HB3 ASP 81 3HB ASP 81 -3.487 8.697 -1.919 629 H GLN 82 H GLN 82 -6.600 10.063 -0.431 630 HA GLN 82 HA GLN 82 -7.392 7.436 0.331 631 HB2 GLN 82 2HB GLN 82 -8.632 10.172 0.798 632 HB3 GLN 82 3HB GLN 82 -9.308 8.703 1.481 633 HG2 GLN 82 2HG GLN 82 -7.199 8.236 2.657 634 HG3 GLN 82 3HG GLN 82 -6.465 9.680 1.954 635 HE21 GLN 82 2HE2 GLN 82 -6.530 9.346 4.720 636 HE22 GLN 82 1HE2 GLN 82 -7.623 10.567 5.385 637 H GLN 83 H GLN 83 -9.123 9.837 -1.781 638 HA GLN 83 HA GLN 83 -11.354 8.129 -2.304 639 HB2 GLN 83 2HB GLN 83 -10.183 10.201 -4.211 640 HB3 GLN 83 3HB GLN 83 -11.770 9.463 -4.298 641 HG2 GLN 83 2HG GLN 83 -10.836 11.714 -2.621 642 HG3 GLN 83 3HG GLN 83 -12.352 11.472 -3.434 643 HE21 GLN 83 2HE2 GLN 83 -10.663 11.146 -0.428 644 HE22 GLN 83 1HE2 GLN 83 -12.025 10.493 0.498 645 H LYS 84 H LYS 84 -8.137 8.231 -3.870 646 HA LYS 84 HA LYS 84 -8.935 6.554 -6.112 647 HB2 LYS 84 2HB LYS 84 -7.456 8.407 -6.439 648 HB3 LYS 84 3HB LYS 84 -6.394 7.904 -5.137 649 HG2 LYS 84 2HG LYS 84 -6.762 6.103 -7.528 650 HG3 LYS 84 3HG LYS 84 -5.760 7.543 -7.673 651 HD2 LYS 84 2HD LYS 84 -5.375 5.333 -5.633 652 HD3 LYS 84 3HD LYS 84 -4.426 5.562 -7.107 653 HE2 LYS 84 2HE LYS 84 -4.507 7.335 -4.634 654 HE3 LYS 84 3HE LYS 84 -3.199 6.271 -5.125 655 HZ1 LYS 84 3HZ LYS 84 -4.077 8.596 -6.752 656 HZ2 LYS 84 1HZ LYS 84 -2.884 8.667 -5.651 657 HZ3 LYS 84 2HZ LYS 84 -2.723 7.696 -6.979 658 H VAL 85 H VAL 85 -7.140 6.158 -3.027 659 HA VAL 85 HA VAL 85 -6.474 3.360 -3.500 660 HB VAL 85 HB VAL 85 -6.788 4.964 -0.934 661 HG11 VAL 85 1HG1 VAL 85 -7.194 2.624 -0.310 662 HG12 VAL 85 2HG1 VAL 85 -5.764 2.097 -1.230 663 HG13 VAL 85 3HG1 VAL 85 -5.583 3.103 0.218 664 HG21 VAL 85 3HG2 VAL 85 -4.389 4.954 -0.849 665 HG22 VAL 85 1HG2 VAL 85 -4.264 3.807 -2.188 666 HG23 VAL 85 2HG2 VAL 85 -4.812 5.462 -2.488 667 H LYS 86 H LYS 86 -9.327 4.943 -1.914 668 HA LYS 86 HA LYS 86 -10.687 2.419 -1.487 669 HB2 LYS 86 2HB LYS 86 -11.784 5.264 -1.602 670 HB3 LYS 86 3HB LYS 86 -12.718 3.821 -1.175 671 HG2 LYS 86 2HG LYS 86 -10.904 3.362 0.608 672 HG3 LYS 86 3HG LYS 86 -10.319 4.969 0.296 673 HD2 LYS 86 2HD LYS 86 -11.709 4.917 2.288 674 HD3 LYS 86 3HD LYS 86 -12.459 5.946 1.051 675 HE2 LYS 86 2HE LYS 86 -14.076 4.262 0.528 676 HE3 LYS 86 3HE LYS 86 -13.176 3.024 1.422 677 HZ1 LYS 86 3HZ LYS 86 -15.144 3.899 2.637 678 HZ2 LYS 86 1HZ LYS 86 -13.768 4.050 3.488 679 HZ3 LYS 86 2HZ LYS 86 -14.433 5.363 2.745 680 H LYS 87 H LYS 87 -10.860 4.734 -4.228 681 HA LYS 87 HA LYS 87 -12.753 3.183 -5.761 682 HB2 LYS 87 2HB LYS 87 -10.613 5.222 -6.473 683 HB3 LYS 87 3HB LYS 87 -11.503 4.400 -7.742 684 HG2 LYS 87 2HG LYS 87 -12.968 5.800 -5.478 685 HG3 LYS 87 3HG LYS 87 -12.423 6.682 -6.914 686 HD2 LYS 87 2HD LYS 87 -13.711 5.355 -8.388 687 HD3 LYS 87 3HD LYS 87 -14.071 4.138 -7.169 688 HE2 LYS 87 2HE LYS 87 -15.089 7.015 -7.101 689 HE3 LYS 87 3HE LYS 87 -16.001 5.623 -7.696 690 HZ1 LYS 87 3HZ LYS 87 -15.718 4.616 -5.437 691 HZ2 LYS 87 1HZ LYS 87 -15.077 6.021 -4.908 692 HZ3 LYS 87 2HZ LYS 87 -16.623 5.985 -5.433 693 H THR 88 H THR 88 -9.211 3.001 -5.675 694 HA THR 88 HA THR 88 -9.007 0.871 -7.533 695 HB THR 88 HB THR 88 -7.047 1.514 -5.316 696 HG1 THR 88 1HG THR 88 -7.398 3.300 -6.600 697 HG21 THR 88 1HG2 THR 88 -6.804 0.199 -8.042 698 HG22 THR 88 2HG2 THR 88 -5.441 0.590 -6.972 699 HG23 THR 88 3HG2 THR 88 -6.627 -0.644 -6.496 700 H ALA 89 H ALA 89 -9.717 0.790 -4.040 701 HA ALA 89 HA ALA 89 -9.507 -2.084 -3.783 702 HB1 ALA 89 1HB ALA 89 -10.962 -0.018 -2.081 703 HB2 ALA 89 2HB ALA 89 -10.603 -1.687 -1.630 704 HB3 ALA 89 3HB ALA 89 -9.274 -0.527 -1.874 705 H GLU 90 H GLU 90 -12.175 0.205 -4.531 706 HA GLU 90 HA GLU 90 -14.188 -1.832 -4.794 707 HB2 GLU 90 2HB GLU 90 -13.970 0.950 -6.011 708 HB3 GLU 90 3HB GLU 90 -15.370 -0.099 -6.217 709 HG2 GLU 90 2HG GLU 90 -15.715 -0.161 -3.772 710 HG3 GLU 90 3HG GLU 90 -14.353 0.932 -3.540 711 H ALA 91 H ALA 91 -11.869 -0.449 -7.081 712 HA ALA 91 HA ALA 91 -12.843 -1.821 -9.413 713 HB1 ALA 91 1HB ALA 91 -10.231 -0.354 -8.814 714 HB2 ALA 91 2HB ALA 91 -10.843 -0.766 -10.432 715 HB3 ALA 91 3HB ALA 91 -11.721 0.392 -9.406 716 H GLY 92 H GLY 92 -10.570 -2.757 -6.916 717 HA2 GLY 92 2HA GLY 92 -9.455 -4.742 -6.535 718 HA3 GLY 92 3HA GLY 92 -10.117 -5.422 -8.025 719 H GLY 93 H GLY 93 -8.477 -2.364 -8.341 720 HA2 GLY 93 2HA GLY 93 -5.855 -2.654 -8.632 721 HA3 GLY 93 3HA GLY 93 -6.387 -3.594 -10.032 722 H VAL 94 H VAL 94 -4.885 -1.061 -9.770 723 HA VAL 94 HA VAL 94 -6.635 1.067 -10.715 724 HB VAL 94 HB VAL 94 -4.853 1.555 -9.170 725 HG11 VAL 94 1HG1 VAL 94 -2.879 0.966 -11.412 726 HG12 VAL 94 2HG1 VAL 94 -2.505 1.663 -9.823 727 HG13 VAL 94 3HG1 VAL 94 -3.088 -0.002 -9.936 728 HG21 VAL 94 3HG2 VAL 94 -4.357 2.971 -11.812 729 HG22 VAL 94 1HG2 VAL 94 -5.719 3.303 -10.711 730 HG23 VAL 94 2HG2 VAL 94 -4.055 3.588 -10.180 731 H THR 95 H THR 95 -6.793 2.007 -12.691 732 HA THR 95 HA THR 95 -6.115 0.256 -14.971 733 HB THR 95 HB THR 95 -7.851 1.595 -16.136 734 HG1 THR 95 1HG THR 95 -9.030 3.075 -14.900 735 HG21 THR 95 1HG2 THR 95 -8.492 -0.432 -14.815 736 HG22 THR 95 2HG2 THR 95 -8.784 0.603 -13.400 737 HG23 THR 95 3HG2 THR 95 -9.776 0.789 -14.863 738 H GLY 96 H GLY 96 -5.161 3.407 -13.849 739 HA2 GLY 96 2HA GLY 96 -4.103 4.132 -16.485 740 HA3 GLY 96 3HA GLY 96 -4.037 5.120 -15.024 741 H LYS 97 H LYS 97 -1.915 4.710 -16.874 742 HA LYS 97 HA LYS 97 0.112 3.002 -15.534 743 HB2 LYS 97 2HB LYS 97 0.249 4.707 -18.056 744 HB3 LYS 97 3HB LYS 97 1.570 3.719 -17.420 745 HG2 LYS 97 2HG LYS 97 0.175 1.676 -17.657 746 HG3 LYS 97 3HG LYS 97 -1.138 2.655 -18.340 747 HD2 LYS 97 2HD LYS 97 0.351 3.357 -20.200 748 HD3 LYS 97 3HD LYS 97 1.656 2.353 -19.527 749 HE2 LYS 97 2HE LYS 97 0.221 0.337 -19.763 750 HE3 LYS 97 3HE LYS 97 -1.079 1.335 -20.427 751 HZ1 LYS 97 3HZ LYS 97 0.213 0.278 -22.192 752 HZ2 LYS 97 1HZ LYS 97 0.393 1.896 -22.290 753 HZ3 LYS 97 2HZ LYS 97 1.595 0.974 -21.677 754 H GLY 98 H GLY 98 2.088 3.793 -14.740 755 HA2 GLY 98 2HA GLY 98 3.033 6.403 -14.545 756 HA3 GLY 98 3HA GLY 98 1.892 6.245 -13.209 757 H GLN 99 H GLN 99 3.782 6.699 -11.932 758 HA GLN 99 HA GLN 99 5.479 6.248 -10.556 759 HB2 GLN 99 2HB GLN 99 3.531 4.924 -9.696 760 HB3 GLN 99 3HB GLN 99 4.299 3.461 -10.332 761 HG2 GLN 99 2HG GLN 99 6.231 3.793 -8.858 762 HG3 GLN 99 3HG GLN 99 5.687 5.415 -8.448 763 HE21 GLN 99 2HE2 GLN 99 5.634 5.058 -6.235 764 HE22 GLN 99 1HE2 GLN 99 4.441 4.016 -5.489 765 H ASP 100 H ASP 100 6.637 6.405 -12.799 766 HA ASP 100 HA ASP 100 8.398 4.153 -13.425 767 HB2 ASP 100 2HB ASP 100 7.628 5.801 -15.113 768 HB3 ASP 100 3HB ASP 100 8.491 7.076 -14.251 769 H GLY 101 H GLY 101 10.765 4.354 -13.307 770 HA2 GLY 101 2HA GLY 101 12.796 5.023 -12.351 771 HA3 GLY 101 3HA GLY 101 11.960 6.065 -11.211 772 H ILE 102 H ILE 102 13.985 4.766 -10.230 773 HA ILE 102 HA ILE 102 12.923 2.664 -8.446 774 HB ILE 102 HB ILE 102 13.823 1.431 -10.329 775 HG12 ILE 102 2HG1 ILE 102 15.665 1.235 -7.905 776 HG13 ILE 102 3HG1 ILE 102 14.045 0.550 -8.046 777 HG21 ILE 102 1HG2 ILE 102 16.549 2.703 -9.836 778 HG22 ILE 102 2HG2 ILE 102 16.126 1.505 -11.072 779 HG23 ILE 102 3HG2 ILE 102 15.469 3.129 -11.180 780 HD11 ILE 102 3HD1 ILE 102 14.867 -0.853 -9.964 781 HD12 ILE 102 1HD1 ILE 102 16.511 -0.259 -9.628 782 HD13 ILE 102 2HD1 ILE 102 15.645 -1.202 -8.406 783 H GLY 103 H GLY 103 13.707 2.736 -6.425 784 HA2 GLY 103 2HA GLY 103 14.936 3.344 -4.565 785 HA3 GLY 103 3HA GLY 103 16.317 3.512 -5.644 786 H SER 104 H SER 104 16.879 5.202 -3.995 787 HA SER 104 HA SER 104 16.140 7.869 -4.971 788 HB2 SER 104 2HB SER 104 15.546 7.072 -2.088 789 HB3 SER 104 3HB SER 104 15.516 8.726 -2.721 790 HG SER 104 HG SER 104 14.081 7.108 -4.307 791 H LYS 105 H LYS 105 17.489 9.539 -4.264 792 HA LYS 105 HA LYS 105 20.144 8.915 -3.208 793 HB2 LYS 105 2HB LYS 105 19.769 10.705 -4.862 794 HB3 LYS 105 3HB LYS 105 18.710 11.553 -3.726 795 HG2 LYS 105 2HG LYS 105 20.630 11.869 -2.174 796 HG3 LYS 105 3HG LYS 105 21.673 10.960 -3.274 797 HD2 LYS 105 2HD LYS 105 22.038 13.362 -3.468 798 HD3 LYS 105 3HD LYS 105 21.424 12.711 -4.992 799 HE2 LYS 105 2HE LYS 105 19.277 13.677 -4.691 800 HE3 LYS 105 3HE LYS 105 19.516 13.886 -2.948 801 HZ1 LYS 105 3HZ LYS 105 21.072 15.605 -3.330 802 HZ2 LYS 105 1HZ LYS 105 21.051 15.413 -4.970 803 HZ3 LYS 105 2HZ LYS 105 19.732 15.987 -4.184 804 H ALA 106 H ALA 106 20.877 9.136 -1.160 805 HA ALA 106 HA ALA 106 18.936 9.170 1.000 806 HB1 ALA 106 1HB ALA 106 21.953 8.764 1.006 807 HB2 ALA 106 2HB ALA 106 20.841 8.422 2.349 808 HB3 ALA 106 3HB ALA 106 20.720 7.491 0.846 809 H GLU 107 H GLU 107 18.499 11.538 0.266 810 HA GLU 107 HA GLU 107 18.363 13.735 0.792 811 HB2 GLU 107 2HB GLU 107 19.286 12.833 3.530 812 HB3 GLU 107 3HB GLU 107 18.338 14.268 3.163 813 HG2 GLU 107 2HG GLU 107 17.371 11.406 2.741 814 HG3 GLU 107 3HG GLU 107 17.025 12.408 4.136 815 H LYS 108 H LYS 108 21.116 12.905 -0.141 816 HA LYS 108 HA LYS 108 22.967 14.743 1.132 817 HB2 LYS 108 2HB LYS 108 23.695 12.560 0.240 818 HB3 LYS 108 3HB LYS 108 23.207 13.047 -1.383 819 HG2 LYS 108 2HG LYS 108 25.583 13.256 -1.247 820 HG3 LYS 108 3HG LYS 108 24.909 14.866 -1.344 821 HD2 LYS 108 2HD LYS 108 25.115 14.490 1.436 822 HD3 LYS 108 3HD LYS 108 26.452 13.532 0.820 823 HE2 LYS 108 2HE LYS 108 27.424 15.643 1.126 824 HE3 LYS 108 3HE LYS 108 27.069 15.608 -0.604 825 HZ1 LYS 108 3HZ LYS 108 26.284 17.684 0.243 826 HZ2 LYS 108 1HZ LYS 108 24.913 16.801 0.025 827 HZ3 LYS 108 2HZ LYS 108 25.529 17.001 1.516 Start of MODEL 6 1 H1 MET 1 H1 MET 1 -5.926 -2.790 27.120 2 H2 MET 1 H2 MET 1 -4.806 -3.137 28.259 3 H3 MET 1 H3 MET 1 -5.357 -4.314 27.258 4 HA MET 1 HA MET 1 -3.783 -1.966 26.426 5 HB2 MET 1 2HB MET 1 -2.960 -4.903 26.591 6 HB3 MET 1 3HB MET 1 -2.021 -3.634 25.804 7 HG2 MET 1 2HG MET 1 -2.696 -3.780 28.762 8 HG3 MET 1 3HG MET 1 -1.136 -4.077 28.007 9 HE1 MET 1 1HE MET 1 -1.505 -2.171 30.502 10 HE2 MET 1 2HE MET 1 0.057 -2.476 29.708 11 HE3 MET 1 3HE MET 1 -0.463 -0.809 30.036 12 H ALA 2 H ALA 2 -3.170 -1.918 24.188 13 HA ALA 2 HA ALA 2 -4.613 -3.657 22.288 14 HB1 ALA 2 1HB ALA 2 -5.541 -1.708 21.084 15 HB2 ALA 2 2HB ALA 2 -6.182 -1.794 22.734 16 HB3 ALA 2 3HB ALA 2 -4.908 -0.618 22.336 17 H GLU 3 H GLU 3 -3.832 -3.393 20.068 18 HA GLU 3 HA GLU 3 -1.119 -2.176 19.770 19 HB2 GLU 3 2HB GLU 3 -1.870 -5.047 19.079 20 HB3 GLU 3 3HB GLU 3 -0.380 -4.235 18.589 21 HG2 GLU 3 2HG GLU 3 0.227 -3.912 20.984 22 HG3 GLU 3 3HG GLU 3 -1.226 -4.794 21.465 23 H SER 4 H SER 4 -0.672 -1.326 17.833 24 HA SER 4 HA SER 4 -2.801 -0.848 15.945 25 HB2 SER 4 2HB SER 4 0.156 -0.162 15.821 26 HB3 SER 4 3HB SER 4 -1.125 0.542 14.810 27 HG SER 4 HG SER 4 -0.606 1.869 16.622 28 H SER 5 H SER 5 -0.845 -3.510 16.174 29 HA SER 5 HA SER 5 -0.310 -3.934 13.303 30 HB2 SER 5 2HB SER 5 0.453 -5.644 15.693 31 HB3 SER 5 3HB SER 5 1.075 -5.787 14.038 32 HG SER 5 HG SER 5 2.496 -4.608 15.429 33 H ASP 6 H ASP 6 -3.023 -4.431 14.962 34 HA ASP 6 HA ASP 6 -3.597 -7.068 13.898 35 HB2 ASP 6 2HB ASP 6 -4.441 -6.324 16.114 36 HB3 ASP 6 3HB ASP 6 -5.437 -5.106 15.315 37 H LYS 7 H LYS 7 -2.811 -5.787 11.803 38 HA LYS 7 HA LYS 7 -5.136 -5.083 10.097 39 HB2 LYS 7 2HB LYS 7 -2.307 -3.916 10.044 40 HB3 LYS 7 3HB LYS 7 -3.658 -3.410 9.034 41 HG2 LYS 7 2HG LYS 7 -3.472 -3.062 12.061 42 HG3 LYS 7 3HG LYS 7 -3.128 -1.825 10.871 43 HD2 LYS 7 2HD LYS 7 -5.434 -1.813 10.096 44 HD3 LYS 7 3HD LYS 7 -5.842 -3.192 11.139 45 HE2 LYS 7 2HE LYS 7 -5.175 -1.844 13.143 46 HE3 LYS 7 3HE LYS 7 -4.901 -0.456 12.079 47 HZ1 LYS 7 3HZ LYS 7 -7.129 -0.286 12.927 48 HZ2 LYS 7 1HZ LYS 7 -7.281 -0.741 11.350 49 HZ3 LYS 7 2HZ LYS 7 -7.491 -1.834 12.541 50 H LEU 8 H LEU 8 -4.555 -5.363 7.818 51 HA LEU 8 HA LEU 8 -2.610 -7.607 7.308 52 HB2 LEU 8 2HB LEU 8 -5.039 -6.687 5.700 53 HB3 LEU 8 3HB LEU 8 -4.020 -8.067 5.314 54 HG LEU 8 HG LEU 8 -5.803 -7.859 7.789 55 HD11 LEU 8 1HD1 LEU 8 -6.166 -9.313 5.147 56 HD12 LEU 8 2HD1 LEU 8 -7.258 -9.402 6.558 57 HD13 LEU 8 3HD1 LEU 8 -7.041 -7.863 5.692 58 HD21 LEU 8 3HD2 LEU 8 -4.241 -10.192 6.597 59 HD22 LEU 8 1HD2 LEU 8 -3.888 -9.365 8.131 60 HD23 LEU 8 2HD2 LEU 8 -5.386 -10.295 7.956 61 H TYR 9 H TYR 9 -3.364 -4.283 6.691 62 HA TYR 9 HA TYR 9 -1.626 -4.235 4.280 63 HB2 TYR 9 2HB TYR 9 -4.403 -3.055 4.551 64 HB3 TYR 9 3HB TYR 9 -3.363 -2.945 3.131 65 HD1 TYR 9 HD2 TYR 9 -2.457 -5.758 2.805 66 HD2 TYR 9 HD1 TYR 9 -6.314 -4.161 3.831 67 HE1 TYR 9 HE2 TYR 9 -3.542 -7.818 1.911 68 HE2 TYR 9 HE1 TYR 9 -7.406 -6.206 2.928 69 HH TYR 9 HH TYR 9 -7.090 -8.135 1.737 70 H ARG 10 H ARG 10 -0.713 -2.329 3.797 71 HA ARG 10 HA ARG 10 -0.936 -0.024 5.659 72 HB2 ARG 10 2HB ARG 10 0.976 -1.248 6.437 73 HB3 ARG 10 3HB ARG 10 1.492 -1.602 4.808 74 HG2 ARG 10 2HG ARG 10 3.049 -0.070 5.735 75 HG3 ARG 10 3HG ARG 10 2.160 0.784 4.480 76 HD2 ARG 10 2HD ARG 10 0.696 1.776 6.247 77 HD3 ARG 10 3HD ARG 10 1.640 0.932 7.488 78 HE ARG 10 HE ARG 10 3.365 2.581 5.904 79 HH11 ARG 10 1HH2 ARG 10 0.920 2.962 8.471 80 HH12 ARG 10 2HH2 ARG 10 1.336 4.683 8.582 81 HH21 ARG 10 1HH1 ARG 10 3.916 4.743 6.476 82 HH22 ARG 10 2HH1 ARG 10 2.811 5.560 7.574 83 H VAL 11 H VAL 11 -0.800 1.965 4.593 84 HA VAL 11 HA VAL 11 0.340 2.096 1.869 85 HB VAL 11 HB VAL 11 -2.181 1.899 1.756 86 HG11 VAL 11 1HG1 VAL 11 -2.179 4.813 2.654 87 HG12 VAL 11 2HG1 VAL 11 -3.571 3.818 2.189 88 HG13 VAL 11 3HG1 VAL 11 -2.670 3.477 3.683 89 HG21 VAL 11 3HG2 VAL 11 -0.730 2.915 -0.086 90 HG22 VAL 11 1HG2 VAL 11 -2.385 3.539 -0.040 91 HG23 VAL 11 2HG2 VAL 11 -1.039 4.499 0.607 92 H GLU 12 H GLU 12 1.444 4.033 1.441 93 HA GLU 12 HA GLU 12 1.041 6.359 3.149 94 HB2 GLU 12 2HB GLU 12 3.249 6.534 4.059 95 HB3 GLU 12 3HB GLU 12 2.565 5.002 4.573 96 HG2 GLU 12 2HG GLU 12 3.931 3.771 2.978 97 HG3 GLU 12 3HG GLU 12 4.514 5.263 2.244 98 H TYR 13 H TYR 13 2.196 8.204 2.597 99 HA TYR 13 HA TYR 13 3.538 8.365 -0.022 100 HB2 TYR 13 2HB TYR 13 3.363 10.302 2.311 101 HB3 TYR 13 3HB TYR 13 4.130 10.629 0.763 102 HD1 TYR 13 HD1 TYR 13 1.542 8.934 -0.593 103 HD2 TYR 13 HD2 TYR 13 2.134 12.430 1.880 104 HE1 TYR 13 HE1 TYR 13 -0.458 9.989 -1.598 105 HE2 TYR 13 HE2 TYR 13 0.073 13.446 0.912 106 HH TYR 13 HH TYR 13 -1.696 11.907 -1.789 107 H ALA 14 H ALA 14 5.511 7.741 -0.314 108 HA ALA 14 HA ALA 14 6.913 6.261 1.607 109 HB1 ALA 14 1HB ALA 14 7.676 7.329 -1.135 110 HB2 ALA 14 2HB ALA 14 8.581 6.071 -0.272 111 HB3 ALA 14 3HB ALA 14 6.900 5.786 -0.780 112 H LYS 15 H LYS 15 8.349 6.732 3.106 113 HA LYS 15 HA LYS 15 9.180 9.466 3.609 114 HB2 LYS 15 2HB LYS 15 10.010 6.920 5.065 115 HB3 LYS 15 3HB LYS 15 10.099 8.569 5.675 116 HG2 LYS 15 2HG LYS 15 7.580 6.957 5.115 117 HG3 LYS 15 3HG LYS 15 8.229 7.423 6.686 118 HD2 LYS 15 2HD LYS 15 7.869 9.829 6.110 119 HD3 LYS 15 3HD LYS 15 7.120 9.347 4.582 120 HE2 LYS 15 2HE LYS 15 6.126 8.571 7.356 121 HE3 LYS 15 3HE LYS 15 5.485 9.882 6.356 122 HZ1 LYS 15 3HZ LYS 15 4.116 7.964 6.048 123 HZ2 LYS 15 1HZ LYS 15 4.970 8.168 4.646 124 HZ3 LYS 15 2HZ LYS 15 5.374 6.980 5.701 125 H SER 16 H SER 16 10.886 6.636 2.422 126 HA SER 16 HA SER 16 13.212 8.187 1.588 127 HB2 SER 16 2HB SER 16 13.651 7.579 4.031 128 HB3 SER 16 3HB SER 16 13.729 5.882 3.496 129 HG SER 16 HG SER 16 15.778 7.061 3.510 130 H GLY 17 H GLY 17 14.567 6.984 0.153 131 HA2 GLY 17 2HA GLY 17 13.182 5.006 -1.483 132 HA3 GLY 17 3HA GLY 17 14.764 5.721 -1.790 133 H ARG 18 H ARG 18 13.464 3.777 0.909 134 HA ARG 18 HA ARG 18 15.748 1.833 0.656 135 HB2 ARG 18 2HB ARG 18 14.656 3.153 3.178 136 HB3 ARG 18 3HB ARG 18 15.923 1.930 3.141 137 HG2 ARG 18 2HG ARG 18 16.132 4.705 1.892 138 HG3 ARG 18 3HG ARG 18 16.821 4.209 3.436 139 HD2 ARG 18 2HD ARG 18 18.267 2.581 2.333 140 HD3 ARG 18 3HD ARG 18 17.552 2.936 0.764 141 HE ARG 18 HE ARG 18 19.393 4.662 2.324 142 HH11 ARG 18 1HH2 ARG 18 17.534 4.347 -0.659 143 HH12 ARG 18 2HH2 ARG 18 18.458 5.604 -1.441 144 HH21 ARG 18 1HH1 ARG 18 20.486 6.253 1.249 145 HH22 ARG 18 2HH1 ARG 18 20.065 6.653 -0.389 146 H ALA 19 H ALA 19 12.394 1.985 0.773 147 HA ALA 19 HA ALA 19 12.097 -0.779 1.794 148 HB1 ALA 19 1HB ALA 19 10.058 1.045 0.464 149 HB2 ALA 19 2HB ALA 19 9.745 -0.519 1.237 150 HB3 ALA 19 3HB ALA 19 10.281 0.853 2.222 151 H SER 20 H SER 20 11.509 -2.519 0.409 152 HA SER 20 HA SER 20 12.417 -2.223 -2.432 153 HB2 SER 20 2HB SER 20 12.717 -4.625 -0.617 154 HB3 SER 20 3HB SER 20 13.200 -4.511 -2.322 155 HG SER 20 HG SER 20 14.945 -4.137 -0.851 156 H CYS 21 HN CYS 21 11.100 -2.909 -3.990 157 HA CYS 21 HA CYS 21 8.376 -3.710 -3.317 158 HB2 CYS 21 2HB CYS 21 8.957 -2.199 -5.181 159 HB3 CYS 21 3HB CYS 21 9.809 -3.529 -5.984 160 H LYS 22 H LYS 22 7.932 -5.692 -2.645 161 HA LYS 22 HA LYS 22 9.599 -7.999 -3.179 162 HB2 LYS 22 2HB LYS 22 6.739 -7.932 -2.151 163 HB3 LYS 22 3HB LYS 22 7.860 -9.257 -1.941 164 HG2 LYS 22 2HG LYS 22 8.148 -6.472 -0.753 165 HG3 LYS 22 3HG LYS 22 7.483 -7.850 0.087 166 HD2 LYS 22 2HD LYS 22 10.334 -7.623 -0.956 167 HD3 LYS 22 3HD LYS 22 9.815 -7.365 0.724 168 HE2 LYS 22 2HE LYS 22 8.974 -9.707 0.827 169 HE3 LYS 22 3HE LYS 22 9.555 -9.985 -0.820 170 HZ1 LYS 22 3HZ LYS 22 11.281 -9.278 1.495 171 HZ2 LYS 22 1HZ LYS 22 11.164 -10.758 0.820 172 HZ3 LYS 22 2HZ LYS 22 11.818 -9.528 -0.030 173 H LYS 23 H LYS 23 7.368 -6.539 -5.181 174 HA LYS 23 HA LYS 23 6.510 -9.057 -6.537 175 HB2 LYS 23 2HB LYS 23 4.735 -7.579 -5.805 176 HB3 LYS 23 3HB LYS 23 5.448 -6.225 -6.675 177 HG2 LYS 23 2HG LYS 23 3.484 -7.161 -7.811 178 HG3 LYS 23 3HG LYS 23 4.926 -7.247 -8.822 179 HD2 LYS 23 2HD LYS 23 5.161 -9.650 -8.370 180 HD3 LYS 23 3HD LYS 23 3.829 -9.595 -7.203 181 HE2 LYS 23 2HE LYS 23 2.272 -8.924 -8.991 182 HE3 LYS 23 3HE LYS 23 3.600 -8.897 -10.161 183 HZ1 LYS 23 3HZ LYS 23 2.665 -11.325 -8.712 184 HZ2 LYS 23 1HZ LYS 23 2.340 -10.981 -10.274 185 HZ3 LYS 23 2HZ LYS 23 3.874 -11.290 -9.813 186 H CYS 24 HN CYS 24 7.897 -5.856 -7.479 187 HA CYS 24 HA CYS 24 8.844 -7.185 -9.971 188 HB2 CYS 24 2HB CYS 24 8.698 -5.245 -11.162 189 HB3 CYS 24 3HB CYS 24 7.191 -5.369 -10.264 190 H SER 25 H SER 25 10.129 -6.518 -7.078 191 HA SER 25 HA SER 25 12.183 -6.569 -6.235 192 HB2 SER 25 2HB SER 25 13.061 -7.620 -8.931 193 HB3 SER 25 3HB SER 25 13.936 -7.771 -7.398 194 HG SER 25 HG SER 25 12.692 -9.643 -7.885 195 H GLU 26 H GLU 26 11.422 -4.054 -7.740 196 HA GLU 26 HA GLU 26 14.078 -2.714 -7.961 197 HB2 GLU 26 2HB GLU 26 11.224 -1.740 -8.354 198 HB3 GLU 26 3HB GLU 26 12.662 -0.720 -8.478 199 HG2 GLU 26 2HG GLU 26 13.526 -2.166 -10.306 200 HG3 GLU 26 3HG GLU 26 12.039 -3.118 -10.244 201 H SER 27 H SER 27 13.948 -0.419 -6.721 202 HA SER 27 HA SER 27 12.909 -0.914 -3.963 203 HB2 SER 27 2HB SER 27 14.935 1.184 -4.484 204 HB3 SER 27 3HB SER 27 14.463 0.357 -2.978 205 HG SER 27 HG SER 27 15.433 -1.568 -3.939 206 H ILE 28 H ILE 28 11.738 0.685 -2.947 207 HA ILE 28 HA ILE 28 10.060 2.028 -4.931 208 HB ILE 28 HB ILE 28 9.607 1.640 -1.959 209 HG12 ILE 28 2HG1 ILE 28 8.415 -0.032 -4.212 210 HG13 ILE 28 3HG1 ILE 28 9.850 -0.536 -3.322 211 HG21 ILE 28 1HG2 ILE 28 7.784 2.442 -4.294 212 HG22 ILE 28 2HG2 ILE 28 7.208 2.030 -2.689 213 HG23 ILE 28 3HG2 ILE 28 8.222 3.461 -2.919 214 HD11 ILE 28 3HD1 ILE 28 8.615 -0.439 -1.190 215 HD12 ILE 28 1HD1 ILE 28 7.117 -0.093 -2.087 216 HD13 ILE 28 2HD1 ILE 28 7.973 -1.621 -2.339 217 HA PRO 29 HA PRO 29 12.294 5.796 -3.962 218 HB2 PRO 29 2HB PRO 29 11.064 7.576 -5.633 219 HB3 PRO 29 3HB PRO 29 12.121 6.256 -6.228 220 HG2 PRO 29 2HG PRO 29 9.087 6.241 -6.000 221 HG3 PRO 29 3HG PRO 29 10.082 5.829 -7.431 222 HD2 PRO 29 2HD PRO 29 9.154 3.908 -5.767 223 HD3 PRO 29 3HD PRO 29 10.804 3.792 -6.454 224 H LYS 30 H LYS 30 12.082 7.773 -2.842 225 HA LYS 30 HA LYS 30 9.799 8.009 -1.048 226 HB2 LYS 30 2HB LYS 30 10.962 9.731 0.053 227 HB3 LYS 30 3HB LYS 30 12.100 8.441 -0.324 228 HG2 LYS 30 2HG LYS 30 12.952 9.747 -2.256 229 HG3 LYS 30 3HG LYS 30 11.851 11.070 -1.838 230 HD2 LYS 30 2HD LYS 30 14.080 9.983 -0.058 231 HD3 LYS 30 3HD LYS 30 14.167 11.450 -1.041 232 HE2 LYS 30 2HE LYS 30 12.278 12.437 0.242 233 HE3 LYS 30 3HE LYS 30 12.197 10.984 1.247 234 HZ1 LYS 30 3HZ LYS 30 13.490 12.721 2.323 235 HZ2 LYS 30 1HZ LYS 30 14.461 11.451 2.006 236 HZ3 LYS 30 2HZ LYS 30 14.542 12.799 1.080 237 H ASP 31 H ASP 31 8.656 10.031 -0.673 238 HA ASP 31 HA ASP 31 6.986 11.378 -1.350 239 HB2 ASP 31 2HB ASP 31 8.977 12.837 -1.673 240 HB3 ASP 31 3HB ASP 31 8.963 12.437 -3.389 241 H SER 32 H SER 32 6.840 8.831 -2.362 242 HA SER 32 HA SER 32 5.028 9.163 -4.680 243 HB2 SER 32 2HB SER 32 7.368 8.238 -5.338 244 HB3 SER 32 3HB SER 32 6.891 6.780 -4.449 245 HG SER 32 HG SER 32 5.709 7.972 -6.748 246 H LEU 33 H LEU 33 3.681 6.986 -4.845 247 HA LEU 33 HA LEU 33 2.605 6.585 -2.103 248 HB2 LEU 33 2HB LEU 33 1.142 7.588 -3.860 249 HB3 LEU 33 3HB LEU 33 1.317 6.110 -4.809 250 HG LEU 33 HG LEU 33 0.284 4.839 -2.884 251 HD11 LEU 33 1HD1 LEU 33 -1.076 6.108 -1.254 252 HD12 LEU 33 2HD1 LEU 33 0.647 6.393 -1.024 253 HD13 LEU 33 3HD1 LEU 33 -0.353 7.621 -1.832 254 HD21 LEU 33 3HD2 LEU 33 -2.003 5.529 -3.396 255 HD22 LEU 33 1HD2 LEU 33 -1.418 7.093 -4.017 256 HD23 LEU 33 2HD2 LEU 33 -1.021 5.587 -4.870 257 H ARG 34 H ARG 34 2.746 4.671 -1.099 258 HA ARG 34 HA ARG 34 3.269 2.180 -2.615 259 HB2 ARG 34 2HB ARG 34 5.219 1.590 -1.449 260 HB3 ARG 34 3HB ARG 34 5.447 3.195 -2.154 261 HG2 ARG 34 2HG ARG 34 5.155 4.230 0.075 262 HG3 ARG 34 3HG ARG 34 4.916 2.620 0.796 263 HD2 ARG 34 2HD ARG 34 7.155 1.914 0.004 264 HD3 ARG 34 3HD ARG 34 7.382 3.496 -0.764 265 HE ARG 34 HE ARG 34 6.871 3.651 2.119 266 HH11 ARG 34 1HH2 ARG 34 9.478 3.482 -0.260 267 HH12 ARG 34 2HH2 ARG 34 10.607 4.167 0.869 268 HH21 ARG 34 1HH1 ARG 34 8.291 4.305 3.430 269 HH22 ARG 34 2HH1 ARG 34 10.023 4.306 3.054 270 H MET 35 H MET 35 3.103 0.268 -1.411 271 HA MET 35 HA MET 35 1.317 0.429 0.943 272 HB2 MET 35 2HB MET 35 0.877 -1.170 -1.610 273 HB3 MET 35 3HB MET 35 0.037 -1.522 -0.089 274 HG2 MET 35 2HG MET 35 -0.851 0.771 -0.042 275 HG3 MET 35 3HG MET 35 -0.073 1.111 -1.594 276 HE1 MET 35 3HE MET 35 -3.881 -1.388 -0.838 277 HE2 MET 35 1HE MET 35 -2.326 -1.825 -0.086 278 HE3 MET 35 2HE MET 35 -3.106 -0.269 0.310 279 H ALA 36 H ALA 36 1.132 -1.610 2.112 280 HA ALA 36 HA ALA 36 3.334 -3.497 1.719 281 HB1 ALA 36 1HB ALA 36 3.399 -2.918 4.530 282 HB2 ALA 36 2HB ALA 36 4.684 -2.737 3.328 283 HB3 ALA 36 3HB ALA 36 3.581 -1.390 3.643 284 H ILE 37 H ILE 37 3.146 -5.430 3.089 285 HA ILE 37 HA ILE 37 0.362 -5.920 4.044 286 HB ILE 37 HB ILE 37 1.982 -7.319 2.020 287 HG12 ILE 37 2HG1 ILE 37 -0.971 -7.417 2.766 288 HG13 ILE 37 3HG1 ILE 37 -0.241 -6.114 1.821 289 HG21 ILE 37 1HG2 ILE 37 0.482 -9.052 4.006 290 HG22 ILE 37 2HG2 ILE 37 1.214 -9.555 2.452 291 HG23 ILE 37 3HG2 ILE 37 2.248 -9.011 3.764 292 HD11 ILE 37 3HD1 ILE 37 -0.405 -9.024 0.993 293 HD12 ILE 37 1HD1 ILE 37 -1.334 -7.658 0.339 294 HD13 ILE 37 2HD1 ILE 37 0.418 -7.737 0.080 295 H MET 38 H MET 38 0.014 -6.978 5.850 296 HA MET 38 HA MET 38 2.337 -7.136 7.653 297 HB2 MET 38 2HB MET 38 -0.626 -7.279 8.276 298 HB3 MET 38 3HB MET 38 0.657 -7.032 9.453 299 HG2 MET 38 2HG MET 38 0.173 -5.001 7.255 300 HG3 MET 38 3HG MET 38 -0.849 -5.068 8.670 301 HE1 MET 38 3HE MET 38 3.159 -5.727 8.914 302 HE2 MET 38 1HE MET 38 2.736 -4.860 7.420 303 HE3 MET 38 2HE MET 38 3.640 -4.034 8.726 304 H VAL 39 H VAL 39 3.384 -8.978 7.519 305 HA VAL 39 HA VAL 39 1.815 -11.512 7.914 306 HB VAL 39 HB VAL 39 2.946 -11.522 5.804 307 HG11 VAL 39 1HG1 VAL 39 5.567 -11.232 7.328 308 HG12 VAL 39 2HG1 VAL 39 5.375 -11.591 5.601 309 HG13 VAL 39 3HG1 VAL 39 4.850 -10.025 6.235 310 HG21 VAL 39 3HG2 VAL 39 4.350 -13.446 7.673 311 HG22 VAL 39 1HG2 VAL 39 2.689 -13.640 7.056 312 HG23 VAL 39 2HG2 VAL 39 4.060 -13.630 5.938 313 H GLN 40 H GLN 40 2.294 -12.888 9.515 314 HA GLN 40 HA GLN 40 3.804 -11.966 11.829 315 HB2 GLN 40 2HB GLN 40 3.277 -14.304 12.662 316 HB3 GLN 40 3HB GLN 40 1.917 -13.230 12.348 317 HG2 GLN 40 2HG GLN 40 1.407 -14.368 10.240 318 HG3 GLN 40 3HG GLN 40 2.839 -15.381 10.389 319 HE21 GLN 40 2HE2 GLN 40 -0.352 -14.676 11.921 320 HE22 GLN 40 1HE2 GLN 40 -0.473 -16.258 12.679 321 H SER 41 H SER 41 5.947 -12.102 12.105 322 HA SER 41 HA SER 41 7.472 -13.123 9.910 323 HB2 SER 41 2HB SER 41 7.990 -11.028 11.212 324 HB3 SER 41 3HB SER 41 8.597 -12.091 12.501 325 HG SER 41 HG SER 41 9.605 -11.662 9.918 326 HA PRO 42 HA PRO 42 9.048 -16.923 11.630 327 HB2 PRO 42 2HB PRO 42 11.085 -16.531 9.440 328 HB3 PRO 42 3HB PRO 42 10.192 -18.014 9.888 329 HG2 PRO 42 2HG PRO 42 9.451 -16.566 7.715 330 HG3 PRO 42 3HG PRO 42 8.203 -17.228 8.824 331 HD2 PRO 42 2HD PRO 42 9.340 -14.412 8.755 332 HD3 PRO 42 3HD PRO 42 7.635 -14.944 8.863 333 H MET 43 H MET 43 10.632 -13.839 11.355 334 HA MET 43 HA MET 43 12.880 -14.719 13.114 335 HB2 MET 43 2HB MET 43 14.424 -13.483 11.873 336 HB3 MET 43 3HB MET 43 13.481 -14.448 10.750 337 HG2 MET 43 2HG MET 43 12.081 -12.068 10.729 338 HG3 MET 43 3HG MET 43 13.707 -11.500 11.052 339 HE1 MET 43 3HE MET 43 11.215 -13.116 8.560 340 HE2 MET 43 1HE MET 43 12.265 -13.813 7.306 341 HE3 MET 43 2HE MET 43 12.253 -14.501 8.947 342 H PHE 44 H PHE 44 10.227 -12.823 13.274 343 HA PHE 44 HA PHE 44 11.424 -11.035 15.320 344 HB2 PHE 44 2HB PHE 44 11.321 -9.699 13.284 345 HB3 PHE 44 3HB PHE 44 9.642 -10.135 13.028 346 HD1 PHE 44 HD2 PHE 44 11.923 -8.351 15.410 347 HD2 PHE 44 HD1 PHE 44 7.882 -8.861 13.991 348 HE1 PHE 44 HE2 PHE 44 11.193 -6.407 16.777 349 HE2 PHE 44 HE1 PHE 44 7.158 -6.912 15.350 350 HZ PHE 44 HZ PHE 44 8.811 -5.688 16.749 351 H ASP 45 H ASP 45 9.929 -10.254 16.872 352 HA ASP 45 HA ASP 45 8.022 -12.355 17.625 353 HB2 ASP 45 2HB ASP 45 9.137 -9.982 19.159 354 HB3 ASP 45 3HB ASP 45 8.083 -11.225 19.836 355 H GLY 46 H GLY 46 6.883 -11.140 15.503 356 HA2 GLY 46 2HA GLY 46 4.329 -10.320 16.220 357 HA3 GLY 46 3HA GLY 46 5.278 -8.833 16.125 358 H LYS 47 H LYS 47 3.966 -8.159 14.426 359 HA LYS 47 HA LYS 47 3.993 -9.621 11.848 360 HB2 LYS 47 2HB LYS 47 2.413 -7.208 12.804 361 HB3 LYS 47 3HB LYS 47 2.187 -8.005 11.259 362 HG2 LYS 47 2HG LYS 47 1.932 -9.694 13.770 363 HG3 LYS 47 3HG LYS 47 0.678 -8.511 13.464 364 HD2 LYS 47 2HD LYS 47 1.517 -10.710 11.546 365 HD3 LYS 47 3HD LYS 47 0.141 -10.801 12.638 366 HE2 LYS 47 2HE LYS 47 0.477 -8.785 10.383 367 HE3 LYS 47 3HE LYS 47 -0.482 -10.254 10.284 368 HZ1 LYS 47 3HZ LYS 47 -1.868 -8.324 10.790 369 HZ2 LYS 47 1HZ LYS 47 -1.920 -9.384 12.039 370 HZ3 LYS 47 2HZ LYS 47 -1.046 -8.001 12.160 371 H VAL 48 H VAL 48 4.946 -8.832 10.034 372 HA VAL 48 HA VAL 48 6.433 -6.253 10.215 373 HB VAL 48 HB VAL 48 8.293 -7.254 8.993 374 HG11 VAL 48 1HG1 VAL 48 8.347 -7.098 11.467 375 HG12 VAL 48 2HG1 VAL 48 7.677 -8.738 11.583 376 HG13 VAL 48 3HG1 VAL 48 9.277 -8.479 10.866 377 HG21 VAL 48 3HG2 VAL 48 8.583 -9.684 8.836 378 HG22 VAL 48 1HG2 VAL 48 6.936 -9.943 9.449 379 HG23 VAL 48 2HG2 VAL 48 7.194 -9.158 7.879 380 HA PRO 49 HA PRO 49 4.566 -5.474 6.329 381 HB2 PRO 49 2HB PRO 49 5.892 -3.260 5.446 382 HB3 PRO 49 3HB PRO 49 4.867 -3.247 6.909 383 HG2 PRO 49 2HG PRO 49 7.881 -3.556 6.741 384 HG3 PRO 49 3HG PRO 49 6.934 -2.484 7.820 385 HD2 PRO 49 2HD PRO 49 7.891 -4.935 8.612 386 HD3 PRO 49 3HD PRO 49 6.354 -4.257 9.228 387 H HIS 50 H HIS 50 4.629 -6.452 4.398 388 HA HIS 50 HA HIS 50 7.185 -6.674 2.829 389 HB2 HIS 50 2HB HIS 50 4.470 -8.033 2.684 390 HB3 HIS 50 3HB HIS 50 5.566 -8.016 1.312 391 HD2 HIS 50 HD2 HIS 50 6.821 -8.460 4.937 392 HE1 HIS 50 HE1 HIS 50 7.427 -12.177 2.941 393 HE2 HIS 50 HE2 HIS 50 7.906 -10.867 5.071 394 H TRP 51 H TRP 51 7.574 -4.718 1.894 395 HA TRP 51 HA TRP 51 5.393 -2.957 1.151 396 HB2 TRP 51 2HB TRP 51 8.377 -2.680 0.731 397 HB3 TRP 51 3HB TRP 51 7.165 -1.441 0.431 398 HD1 TRP 51 HD1 TRP 51 9.146 -3.031 3.203 399 HE1 TRP 51 HE1 TRP 51 8.821 -1.723 5.382 400 HE3 TRP 51 HE3 TRP 51 5.295 0.057 1.746 401 HZ2 TRP 51 HZ2 TRP 51 7.070 0.308 6.402 402 HZ3 TRP 51 HZ3 TRP 51 4.258 1.602 3.414 403 HH2 TRP 51 HH2 TRP 51 5.196 1.783 5.706 404 H TYR 52 H TYR 52 4.816 -2.269 -0.877 405 HA TYR 52 HA TYR 52 6.319 -3.102 -3.226 406 HB2 TYR 52 2HB TYR 52 3.468 -3.592 -3.717 407 HB3 TYR 52 3HB TYR 52 4.922 -4.442 -4.242 408 HD1 TYR 52 HD2 TYR 52 2.811 -4.115 -1.108 409 HD2 TYR 52 HD1 TYR 52 5.198 -6.621 -3.670 410 HE1 TYR 52 HE2 TYR 52 2.118 -6.140 0.200 411 HE2 TYR 52 HE1 TYR 52 4.505 -8.623 -2.366 412 HH TYR 52 HH TYR 52 3.327 -9.413 -0.595 413 H HIS 53 H HIS 53 5.696 -1.847 -5.116 414 HA HIS 53 HA HIS 53 4.980 0.906 -4.685 415 HB2 HIS 53 2HB HIS 53 4.640 -0.807 -7.177 416 HB3 HIS 53 3HB HIS 53 4.543 0.927 -7.131 417 HD2 HIS 53 HD2 HIS 53 6.805 2.287 -6.371 418 HE1 HIS 53 HE1 HIS 53 9.392 -0.534 -8.224 419 HE2 HIS 53 HE2 HIS 53 9.162 1.871 -7.448 420 H PHE 54 H PHE 54 2.944 2.045 -5.194 421 HA PHE 54 HA PHE 54 0.610 0.885 -4.130 422 HB2 PHE 54 2HB PHE 54 0.728 3.230 -4.303 423 HB3 PHE 54 3HB PHE 54 1.022 3.196 -6.039 424 HD1 PHE 54 HD1 PHE 54 -1.605 2.182 -3.504 425 HD2 PHE 54 HD2 PHE 54 -0.781 3.514 -7.526 426 HE1 PHE 54 HE1 PHE 54 -4.039 2.193 -4.011 427 HE2 PHE 54 HE2 PHE 54 -3.224 3.565 -7.996 428 HZ PHE 54 HZ PHE 54 -4.838 2.839 -6.261 429 H SER 55 H SER 55 1.710 0.956 -7.535 430 HA SER 55 HA SER 55 -0.666 -0.211 -8.728 431 HB2 SER 55 2HB SER 55 0.930 1.169 -9.981 432 HB3 SER 55 3HB SER 55 2.247 0.048 -9.605 433 HG SER 55 HG SER 55 1.485 -0.338 -11.669 434 H CYS 56 HN CYS 56 2.491 -1.497 -7.608 435 HA CYS 56 HA CYS 56 2.133 -4.084 -8.536 436 HB2 CYS 56 2HB CYS 56 3.907 -2.951 -6.367 437 HB3 CYS 56 3HB CYS 56 4.027 -4.605 -6.956 438 H PHE 57 H PHE 57 1.183 -2.755 -5.366 439 HA PHE 57 HA PHE 57 0.542 -5.071 -3.902 440 HB2 PHE 57 2HB PHE 57 0.337 -2.793 -3.069 441 HB3 PHE 57 3HB PHE 57 -1.025 -2.484 -4.139 442 HD1 PHE 57 HD2 PHE 57 -3.182 -3.798 -3.831 443 HD2 PHE 57 HD1 PHE 57 0.022 -3.922 -0.950 444 HE1 PHE 57 HE2 PHE 57 -4.746 -4.706 -2.144 445 HE2 PHE 57 HE1 PHE 57 -1.574 -4.746 0.765 446 HZ PHE 57 HZ PHE 57 -3.950 -5.173 0.165 447 H TRP 58 H TRP 58 -1.532 -3.416 -6.324 448 HA TRP 58 HA TRP 58 -3.563 -5.464 -6.256 449 HB2 TRP 58 2HB TRP 58 -3.191 -3.340 -8.368 450 HB3 TRP 58 3HB TRP 58 -4.664 -4.177 -7.902 451 HD1 TRP 58 HD1 TRP 58 -2.573 -1.212 -7.174 452 HE1 TRP 58 HE1 TRP 58 -3.390 0.150 -5.177 453 HE3 TRP 58 HE3 TRP 58 -6.235 -4.393 -5.461 454 HZ2 TRP 58 HZ2 TRP 58 -5.443 -0.074 -3.116 455 HZ3 TRP 58 HZ3 TRP 58 -7.585 -3.779 -3.498 456 HH2 TRP 58 HH2 TRP 58 -7.191 -1.622 -2.326 457 H LYS 59 H LYS 59 -0.566 -5.267 -8.016 458 HA LYS 59 HA LYS 59 -1.251 -7.263 -10.053 459 HB2 LYS 59 2HB LYS 59 1.481 -6.499 -9.011 460 HB3 LYS 59 3HB LYS 59 1.131 -7.496 -10.420 461 HG2 LYS 59 2HG LYS 59 0.081 -5.627 -11.582 462 HG3 LYS 59 3HG LYS 59 0.238 -4.616 -10.139 463 HD2 LYS 59 2HD LYS 59 2.806 -5.164 -10.310 464 HD3 LYS 59 3HD LYS 59 2.434 -5.612 -11.985 465 HE2 LYS 59 2HE LYS 59 1.622 -3.430 -12.490 466 HE3 LYS 59 3HE LYS 59 1.407 -3.033 -10.783 467 HZ1 LYS 59 3HZ LYS 59 3.403 -1.955 -11.683 468 HZ2 LYS 59 1HZ LYS 59 3.810 -3.007 -10.493 469 HZ3 LYS 59 2HZ LYS 59 4.062 -3.402 -12.067 470 H VAL 60 H VAL 60 -0.075 -7.303 -6.677 471 HA VAL 60 HA VAL 60 0.382 -10.201 -6.625 472 HB VAL 60 HB VAL 60 -0.172 -8.373 -4.261 473 HG11 VAL 60 1HG1 VAL 60 1.076 -10.086 -2.981 474 HG12 VAL 60 2HG1 VAL 60 -0.369 -10.788 -3.714 475 HG13 VAL 60 3HG1 VAL 60 1.218 -11.087 -4.443 476 HG21 VAL 60 3HG2 VAL 60 2.523 -9.251 -5.384 477 HG22 VAL 60 1HG2 VAL 60 1.856 -7.616 -5.543 478 HG23 VAL 60 2HG2 VAL 60 2.237 -8.247 -3.951 479 H GLY 61 H GLY 61 -2.416 -8.110 -6.232 480 HA2 GLY 61 2HA GLY 61 -4.570 -8.721 -6.843 481 HA3 GLY 61 3HA GLY 61 -4.138 -10.425 -6.759 482 H HIS 62 H HIS 62 -3.460 -8.483 -3.929 483 HA HIS 62 HA HIS 62 -5.415 -9.896 -2.290 484 HB2 HIS 62 2HB HIS 62 -3.524 -7.590 -1.736 485 HB3 HIS 62 3HB HIS 62 -4.655 -8.219 -0.540 486 HD2 HIS 62 HD2 HIS 62 -1.351 -9.053 -2.229 487 HE1 HIS 62 HE1 HIS 62 -2.145 -12.279 0.445 488 HE2 HIS 62 HE2 HIS 62 -0.408 -11.244 -1.100 489 H SER 63 H SER 63 -7.159 -8.999 -1.139 490 HA SER 63 HA SER 63 -8.560 -6.770 -2.564 491 HB2 SER 63 2HB SER 63 -9.393 -9.032 -3.180 492 HB3 SER 63 3HB SER 63 -9.810 -9.312 -1.476 493 HG SER 63 HG SER 63 -11.575 -8.492 -2.755 494 H ILE 64 H ILE 64 -9.897 -5.462 -1.421 495 HA ILE 64 HA ILE 64 -9.586 -5.404 1.546 496 HB ILE 64 HB ILE 64 -9.214 -2.961 -0.199 497 HG12 ILE 64 2HG1 ILE 64 -7.024 -4.862 0.664 498 HG13 ILE 64 3HG1 ILE 64 -7.424 -4.310 -0.959 499 HG21 ILE 64 1HG2 ILE 64 -8.379 -3.561 2.664 500 HG22 ILE 64 2HG2 ILE 64 -8.217 -2.014 1.815 501 HG23 ILE 64 3HG2 ILE 64 -9.826 -2.640 2.198 502 HD11 ILE 64 3HD1 ILE 64 -5.501 -3.101 -0.405 503 HD12 ILE 64 1HD1 ILE 64 -6.810 -1.940 -0.142 504 HD13 ILE 64 2HD1 ILE 64 -6.052 -2.772 1.239 505 H ARG 65 H ARG 65 -11.380 -4.749 2.598 506 HA ARG 65 HA ARG 65 -13.814 -4.047 0.967 507 HB2 ARG 65 2HB ARG 65 -15.045 -5.612 2.597 508 HB3 ARG 65 3HB ARG 65 -14.180 -6.301 1.242 509 HG2 ARG 65 2HG ARG 65 -12.793 -6.104 3.924 510 HG3 ARG 65 3HG ARG 65 -13.988 -7.357 3.666 511 HD2 ARG 65 2HD ARG 65 -12.690 -8.558 2.255 512 HD3 ARG 65 3HD ARG 65 -12.000 -7.144 1.460 513 HE ARG 65 HE ARG 65 -10.754 -6.957 3.852 514 HH11 ARG 65 1HH2 ARG 65 -11.028 -9.770 1.746 515 HH12 ARG 65 2HH2 ARG 65 -9.510 -10.407 2.316 516 HH21 ARG 65 1HH1 ARG 65 -8.998 -7.774 4.501 517 HH22 ARG 65 2HH1 ARG 65 -8.342 -9.296 3.881 518 H HIS 66 H HIS 66 -12.061 -3.454 3.883 519 HA HIS 66 HA HIS 66 -13.747 -1.063 4.205 520 HB2 HIS 66 2HB HIS 66 -13.753 -1.175 6.645 521 HB3 HIS 66 3HB HIS 66 -14.811 -2.304 5.829 522 HD2 HIS 66 HD2 HIS 66 -12.763 -4.795 5.505 523 HE1 HIS 66 HE1 HIS 66 -12.876 -4.801 9.734 524 HE2 HIS 66 HE2 HIS 66 -12.325 -6.177 7.680 525 HA PRO 67 HA PRO 67 -9.254 -0.765 3.664 526 HB2 PRO 67 2HB PRO 67 -9.183 1.543 2.060 527 HB3 PRO 67 3HB PRO 67 -9.402 -0.119 1.449 528 HG2 PRO 67 2HG PRO 67 -11.550 1.898 2.140 529 HG3 PRO 67 3HG PRO 67 -11.400 0.900 0.650 530 HD2 PRO 67 2HD PRO 67 -13.039 0.154 2.618 531 HD3 PRO 67 3HD PRO 67 -11.991 -1.081 1.851 532 H ASP 68 H ASP 68 -11.310 1.965 4.742 533 HA ASP 68 HA ASP 68 -9.117 3.479 5.841 534 HB2 ASP 68 2HB ASP 68 -11.294 4.470 5.300 535 HB3 ASP 68 3HB ASP 68 -12.105 3.405 6.445 536 H VAL 69 H VAL 69 -10.603 0.567 6.855 537 HA VAL 69 HA VAL 69 -9.704 0.827 9.666 538 HB VAL 69 HB VAL 69 -11.321 -1.423 8.438 539 HG11 VAL 69 1HG1 VAL 69 -10.967 -0.492 11.318 540 HG12 VAL 69 2HG1 VAL 69 -12.030 -1.809 10.775 541 HG13 VAL 69 3HG1 VAL 69 -10.284 -1.968 10.595 542 HG21 VAL 69 3HG2 VAL 69 -12.359 1.101 9.793 543 HG22 VAL 69 1HG2 VAL 69 -12.649 0.593 8.110 544 HG23 VAL 69 2HG2 VAL 69 -13.334 -0.344 9.435 545 H GLU 70 H GLU 70 -9.298 -1.130 6.735 546 HA GLU 70 HA GLU 70 -7.382 -2.971 8.048 547 HB2 GLU 70 2HB GLU 70 -8.311 -2.798 5.133 548 HB3 GLU 70 3HB GLU 70 -7.387 -4.119 5.849 549 HG2 GLU 70 2HG GLU 70 -9.292 -4.726 7.270 550 HG3 GLU 70 3HG GLU 70 -10.240 -3.402 6.595 551 H VAL 71 H VAL 71 -7.187 -0.352 5.688 552 HA VAL 71 HA VAL 71 -4.285 -0.812 5.201 553 HB VAL 71 HB VAL 71 -6.004 1.339 3.990 554 HG11 VAL 71 1HG1 VAL 71 -3.374 -0.015 3.242 555 HG12 VAL 71 2HG1 VAL 71 -4.172 1.359 2.429 556 HG13 VAL 71 3HG1 VAL 71 -3.509 1.545 4.076 557 HG21 VAL 71 3HG2 VAL 71 -5.334 -1.484 3.031 558 HG22 VAL 71 1HG2 VAL 71 -6.954 -0.846 3.346 559 HG23 VAL 71 2HG2 VAL 71 -6.009 -0.194 1.999 560 H ASP 72 H ASP 72 -3.381 -0.444 7.107 561 HA ASP 72 HA ASP 72 -3.681 1.921 8.722 562 HB2 ASP 72 2HB ASP 72 -2.710 -0.112 9.540 563 HB3 ASP 72 3HB ASP 72 -1.449 -0.096 8.308 564 H GLY 73 H GLY 73 -2.642 3.878 8.616 565 HA2 GLY 73 2HA GLY 73 -1.157 5.542 7.901 566 HA3 GLY 73 3HA GLY 73 -0.509 4.448 6.681 567 H PHE 74 H PHE 74 -3.728 4.243 6.124 568 HA PHE 74 HA PHE 74 -3.955 5.943 3.846 569 HB2 PHE 74 2HB PHE 74 -5.348 3.972 4.390 570 HB3 PHE 74 3HB PHE 74 -5.990 4.777 5.812 571 HD1 PHE 74 HD1 PHE 74 -6.127 4.533 2.139 572 HD2 PHE 74 HD2 PHE 74 -7.723 6.499 5.631 573 HE1 PHE 74 HE1 PHE 74 -8.064 5.339 0.810 574 HE2 PHE 74 HE2 PHE 74 -9.643 7.321 4.294 575 HZ PHE 74 HZ PHE 74 -9.808 6.747 1.879 576 H SER 75 H SER 75 -4.308 6.721 7.270 577 HA SER 75 HA SER 75 -5.559 9.299 7.050 578 HB2 SER 75 2HB SER 75 -4.417 9.611 9.303 579 HB3 SER 75 3HB SER 75 -5.520 8.226 9.166 580 HG SER 75 HG SER 75 -3.507 7.684 10.176 581 H GLU 76 H GLU 76 -2.299 8.256 6.274 582 HA GLU 76 HA GLU 76 -1.094 10.906 6.604 583 HB2 GLU 76 2HB GLU 76 0.041 8.392 5.316 584 HB3 GLU 76 3HB GLU 76 0.937 9.833 5.777 585 HG2 GLU 76 2HG GLU 76 0.520 9.438 8.142 586 HG3 GLU 76 3HG GLU 76 -0.552 8.083 7.786 587 H LEU 77 H LEU 77 -2.903 9.375 4.155 588 HA LEU 77 HA LEU 77 -1.714 10.674 1.803 589 HB2 LEU 77 2HB LEU 77 -4.128 8.916 2.342 590 HB3 LEU 77 3HB LEU 77 -3.889 9.676 0.788 591 HG LEU 77 HG LEU 77 -1.972 8.400 0.290 592 HD11 LEU 77 1HD1 LEU 77 -2.015 7.243 3.083 593 HD12 LEU 77 2HD1 LEU 77 -1.001 6.682 1.733 594 HD13 LEU 77 3HD1 LEU 77 -0.761 8.300 2.390 595 HD21 LEU 77 3HD2 LEU 77 -2.896 6.133 0.351 596 HD22 LEU 77 1HD2 LEU 77 -4.047 6.621 1.611 597 HD23 LEU 77 2HD2 LEU 77 -4.154 7.320 -0.016 598 H ARG 78 H ARG 78 -2.755 12.259 0.501 599 HA ARG 78 HA ARG 78 -4.750 14.024 1.768 600 HB2 ARG 78 2HB ARG 78 -3.397 13.998 -0.969 601 HB3 ARG 78 3HB ARG 78 -4.728 15.076 -0.633 602 HG2 ARG 78 2HG ARG 78 -2.191 15.031 1.052 603 HG3 ARG 78 3HG ARG 78 -2.467 16.106 -0.326 604 HD2 ARG 78 2HD ARG 78 -4.533 16.990 0.800 605 HD3 ARG 78 3HD ARG 78 -4.200 15.972 2.186 606 HE ARG 78 HE ARG 78 -2.479 17.372 2.874 607 HH11 ARG 78 1HH2 ARG 78 -3.449 18.452 -0.324 608 HH12 ARG 78 2HH2 ARG 78 -2.515 19.918 -0.201 609 HH21 ARG 78 1HH1 ARG 78 -1.319 19.255 2.951 610 HH22 ARG 78 2HH1 ARG 78 -1.346 20.354 1.603 611 H TRP 79 H TRP 79 -6.711 14.602 0.707 612 HA TRP 79 HA TRP 79 -8.507 12.527 0.621 613 HB2 TRP 79 2HB TRP 79 -9.602 14.447 0.995 614 HB3 TRP 79 3HB TRP 79 -8.532 15.396 -0.016 615 HD1 TRP 79 HD1 TRP 79 -11.815 13.465 -0.210 616 HE1 TRP 79 HE1 TRP 79 -13.002 14.047 -2.417 617 HE3 TRP 79 HE3 TRP 79 -8.080 16.139 -2.425 618 HZ2 TRP 79 HZ2 TRP 79 -12.368 15.458 -4.875 619 HZ3 TRP 79 HZ3 TRP 79 -8.362 17.070 -4.709 620 HH2 TRP 79 HH2 TRP 79 -10.504 16.740 -5.945 621 H ASP 80 H ASP 80 -6.794 13.880 -2.213 622 HA ASP 80 HA ASP 80 -8.365 12.450 -4.132 623 HB2 ASP 80 2HB ASP 80 -7.097 14.555 -4.572 624 HB3 ASP 80 3HB ASP 80 -5.600 13.620 -4.514 625 H ASP 81 H ASP 81 -5.589 11.426 -2.244 626 HA ASP 81 HA ASP 81 -5.132 9.035 -3.943 627 HB2 ASP 81 2HB ASP 81 -3.679 10.130 -1.519 628 HB3 ASP 81 3HB ASP 81 -3.380 8.529 -2.203 629 H GLN 82 H GLN 82 -6.450 10.045 -0.765 630 HA GLN 82 HA GLN 82 -7.212 7.489 0.192 631 HB2 GLN 82 2HB GLN 82 -8.362 10.282 0.502 632 HB3 GLN 82 3HB GLN 82 -9.122 8.895 1.275 633 HG2 GLN 82 2HG GLN 82 -7.022 8.339 2.424 634 HG3 GLN 82 3HG GLN 82 -6.224 9.724 1.676 635 HE21 GLN 82 2HE2 GLN 82 -6.254 9.469 4.442 636 HE22 GLN 82 1HE2 GLN 82 -7.282 10.749 5.101 637 H GLN 83 H GLN 83 -9.190 9.767 -1.836 638 HA GLN 83 HA GLN 83 -11.321 7.912 -2.147 639 HB2 GLN 83 2HB GLN 83 -12.234 9.403 -3.760 640 HB3 GLN 83 3HB GLN 83 -11.492 10.336 -2.483 641 HG2 GLN 83 2HG GLN 83 -10.818 11.536 -4.320 642 HG3 GLN 83 3HG GLN 83 -9.426 10.503 -4.063 643 HE21 GLN 83 2HE2 GLN 83 -9.192 11.395 -6.490 644 HE22 GLN 83 1HE2 GLN 83 -9.919 10.327 -7.682 645 H LYS 84 H LYS 84 -8.249 8.072 -3.888 646 HA LYS 84 HA LYS 84 -9.110 6.408 -6.123 647 HB2 LYS 84 2HB LYS 84 -7.609 8.248 -6.479 648 HB3 LYS 84 3HB LYS 84 -6.516 7.703 -5.215 649 HG2 LYS 84 2HG LYS 84 -7.026 5.933 -7.602 650 HG3 LYS 84 3HG LYS 84 -5.985 7.340 -7.775 651 HD2 LYS 84 2HD LYS 84 -5.601 5.109 -5.759 652 HD3 LYS 84 3HD LYS 84 -4.705 5.304 -7.269 653 HE2 LYS 84 2HE LYS 84 -4.617 7.073 -4.790 654 HE3 LYS 84 3HE LYS 84 -3.365 5.969 -5.341 655 HZ1 LYS 84 3HZ LYS 84 -2.934 7.384 -7.216 656 HZ2 LYS 84 1HZ LYS 84 -4.237 8.335 -6.914 657 HZ3 LYS 84 2HZ LYS 84 -2.981 8.354 -5.882 658 H VAL 85 H VAL 85 -7.215 6.040 -3.094 659 HA VAL 85 HA VAL 85 -6.629 3.215 -3.536 660 HB VAL 85 HB VAL 85 -6.754 4.918 -1.017 661 HG11 VAL 85 1HG1 VAL 85 -5.878 1.995 -1.215 662 HG12 VAL 85 2HG1 VAL 85 -5.571 3.059 0.167 663 HG13 VAL 85 3HG1 VAL 85 -7.229 2.639 -0.247 664 HG21 VAL 85 3HG2 VAL 85 -4.845 5.266 -2.672 665 HG22 VAL 85 1HG2 VAL 85 -4.362 4.801 -1.037 666 HG23 VAL 85 2HG2 VAL 85 -4.349 3.599 -2.331 667 H LYS 86 H LYS 86 -9.325 4.914 -1.844 668 HA LYS 86 HA LYS 86 -10.822 2.537 -1.233 669 HB2 LYS 86 2HB LYS 86 -11.691 5.424 -1.682 670 HB3 LYS 86 3HB LYS 86 -12.802 4.114 -1.258 671 HG2 LYS 86 2HG LYS 86 -11.312 3.612 0.740 672 HG3 LYS 86 3HG LYS 86 -10.460 5.121 0.415 673 HD2 LYS 86 2HD LYS 86 -12.475 6.416 0.776 674 HD3 LYS 86 3HD LYS 86 -13.479 4.945 0.817 675 HE2 LYS 86 2HE LYS 86 -12.361 4.175 2.848 676 HE3 LYS 86 3HE LYS 86 -11.317 5.597 2.853 677 HZ1 LYS 86 3HZ LYS 86 -13.324 6.982 3.101 678 HZ2 LYS 86 1HZ LYS 86 -14.282 5.659 3.111 679 HZ3 LYS 86 2HZ LYS 86 -13.229 5.914 4.329 680 H LYS 87 H LYS 87 -11.013 4.648 -4.168 681 HA LYS 87 HA LYS 87 -12.983 2.930 -5.428 682 HB2 LYS 87 2HB LYS 87 -11.350 5.284 -6.310 683 HB3 LYS 87 3HB LYS 87 -11.867 4.184 -7.566 684 HG2 LYS 87 2HG LYS 87 -13.499 5.996 -7.247 685 HG3 LYS 87 3HG LYS 87 -14.171 4.383 -7.011 686 HD2 LYS 87 2HD LYS 87 -13.924 4.751 -4.496 687 HD3 LYS 87 3HD LYS 87 -13.532 6.440 -4.851 688 HE2 LYS 87 2HE LYS 87 -15.701 6.884 -5.670 689 HE3 LYS 87 3HE LYS 87 -15.997 5.185 -6.069 690 HZ1 LYS 87 3HZ LYS 87 -15.878 6.239 -3.302 691 HZ2 LYS 87 1HZ LYS 87 -17.239 5.797 -4.098 692 HZ3 LYS 87 2HZ LYS 87 -16.111 4.665 -3.724 693 H THR 88 H THR 88 -9.436 2.836 -5.581 694 HA THR 88 HA THR 88 -9.313 0.731 -7.486 695 HB THR 88 HB THR 88 -7.296 1.362 -5.312 696 HG1 THR 88 1HG THR 88 -7.650 3.136 -6.602 697 HG21 THR 88 1HG2 THR 88 -7.160 -0.073 -7.991 698 HG22 THR 88 2HG2 THR 88 -5.739 0.404 -7.028 699 HG23 THR 88 3HG2 THR 88 -6.884 -0.798 -6.397 700 H ALA 89 H ALA 89 -9.797 0.645 -3.937 701 HA ALA 89 HA ALA 89 -9.583 -2.238 -3.730 702 HB1 ALA 89 1HB ALA 89 -10.558 -1.819 -1.500 703 HB2 ALA 89 2HB ALA 89 -9.145 -0.789 -1.834 704 HB3 ALA 89 3HB ALA 89 -10.787 -0.113 -1.912 705 H GLU 90 H GLU 90 -12.305 0.097 -4.121 706 HA GLU 90 HA GLU 90 -14.365 -1.887 -4.216 707 HB2 GLU 90 2HB GLU 90 -14.209 0.910 -5.410 708 HB3 GLU 90 3HB GLU 90 -15.648 -0.108 -5.499 709 HG2 GLU 90 2HG GLU 90 -15.701 -0.251 -3.019 710 HG3 GLU 90 3HG GLU 90 -14.325 0.843 -2.932 711 H ALA 91 H ALA 91 -12.242 -0.602 -6.723 712 HA ALA 91 HA ALA 91 -13.429 -2.011 -8.938 713 HB1 ALA 91 1HB ALA 91 -10.760 -0.588 -8.519 714 HB2 ALA 91 2HB ALA 91 -11.406 -1.105 -10.097 715 HB3 ALA 91 3HB ALA 91 -12.251 0.131 -9.137 716 H GLY 92 H GLY 92 -11.320 -3.110 -6.434 717 HA2 GLY 92 2HA GLY 92 -10.277 -5.130 -6.079 718 HA3 GLY 92 3HA GLY 92 -10.961 -5.747 -7.586 719 H GLY 93 H GLY 93 -8.916 -2.841 -7.387 720 HA2 GLY 93 2HA GLY 93 -6.554 -2.749 -7.826 721 HA3 GLY 93 3HA GLY 93 -6.671 -4.215 -8.802 722 H VAL 94 H VAL 94 -5.610 -1.571 -9.452 723 HA VAL 94 HA VAL 94 -7.015 -1.271 -12.052 724 HB VAL 94 HB VAL 94 -7.878 0.458 -10.401 725 HG11 VAL 94 1HG1 VAL 94 -5.241 1.887 -10.922 726 HG12 VAL 94 2HG1 VAL 94 -6.609 2.432 -9.937 727 HG13 VAL 94 3HG1 VAL 94 -5.626 1.064 -9.400 728 HG21 VAL 94 3HG2 VAL 94 -6.610 1.508 -12.956 729 HG22 VAL 94 1HG2 VAL 94 -8.166 0.654 -12.834 730 HG23 VAL 94 2HG2 VAL 94 -7.960 2.233 -12.058 731 H THR 95 H THR 95 -4.076 -0.648 -10.203 732 HA THR 95 HA THR 95 -1.908 -0.480 -10.739 733 HB THR 95 HB THR 95 -0.926 -1.736 -12.441 734 HG1 THR 95 1HG THR 95 -3.415 -1.523 -13.722 735 HG21 THR 95 1HG2 THR 95 -3.518 -3.191 -11.776 736 HG22 THR 95 2HG2 THR 95 -1.966 -3.911 -12.259 737 HG23 THR 95 3HG2 THR 95 -2.103 -3.072 -10.703 738 H GLY 96 H GLY 96 -0.244 0.348 -12.437 739 HA2 GLY 96 2HA GLY 96 -1.059 2.494 -14.201 740 HA3 GLY 96 3HA GLY 96 -0.526 3.105 -12.634 741 H LYS 97 H LYS 97 0.957 4.118 -14.343 742 HA LYS 97 HA LYS 97 3.055 2.630 -15.607 743 HB2 LYS 97 2HB LYS 97 2.885 5.578 -14.854 744 HB3 LYS 97 3HB LYS 97 4.133 4.872 -15.888 745 HG2 LYS 97 2HG LYS 97 2.345 4.060 -17.451 746 HG3 LYS 97 3HG LYS 97 1.143 4.934 -16.494 747 HD2 LYS 97 2HD LYS 97 3.529 6.187 -17.926 748 HD3 LYS 97 3HD LYS 97 1.862 6.169 -18.517 749 HE2 LYS 97 2HE LYS 97 1.136 7.450 -16.503 750 HE3 LYS 97 3HE LYS 97 2.814 7.510 -15.944 751 HZ1 LYS 97 3HZ LYS 97 3.375 8.745 -17.971 752 HZ2 LYS 97 1HZ LYS 97 1.825 8.694 -18.485 753 HZ3 LYS 97 2HZ LYS 97 2.212 9.533 -17.141 754 H GLY 98 H GLY 98 5.314 2.689 -15.231 755 HA2 GLY 98 2HA GLY 98 6.012 1.581 -12.746 756 HA3 GLY 98 3HA GLY 98 7.155 2.093 -13.982 757 H GLN 99 H GLN 99 6.656 2.343 -10.874 758 HA GLN 99 HA GLN 99 7.337 5.207 -10.443 759 HB2 GLN 99 2HB GLN 99 6.524 2.931 -8.629 760 HB3 GLN 99 3HB GLN 99 7.017 4.523 -8.023 761 HG2 GLN 99 2HG GLN 99 5.101 5.568 -9.113 762 HG3 GLN 99 3HG GLN 99 4.657 4.047 -9.903 763 HE21 GLN 99 2HE2 GLN 99 5.054 5.532 -6.616 764 HE22 GLN 99 1HE2 GLN 99 3.893 4.449 -5.857 765 H ASP 100 H ASP 100 9.346 4.579 -11.712 766 HA ASP 100 HA ASP 100 11.202 2.660 -11.014 767 HB2 ASP 100 2HB ASP 100 11.192 3.852 -13.126 768 HB3 ASP 100 3HB ASP 100 11.598 5.370 -12.327 769 H GLY 101 H GLY 101 12.815 2.341 -9.602 770 HA2 GLY 101 2HA GLY 101 14.394 4.418 -8.417 771 HA3 GLY 101 3HA GLY 101 13.228 3.809 -7.244 772 H ILE 102 H ILE 102 16.002 3.681 -6.949 773 HA ILE 102 HA ILE 102 16.321 0.846 -6.362 774 HB ILE 102 HB ILE 102 17.256 0.949 -8.612 775 HG12 ILE 102 2HG1 ILE 102 19.525 0.085 -8.220 776 HG13 ILE 102 3HG1 ILE 102 19.475 0.639 -6.549 777 HG21 ILE 102 1HG2 ILE 102 19.280 2.990 -7.604 778 HG22 ILE 102 2HG2 ILE 102 19.218 2.248 -9.211 779 HG23 ILE 102 3HG2 ILE 102 17.926 3.337 -8.703 780 HD11 ILE 102 3HD1 ILE 102 17.656 -0.952 -6.057 781 HD12 ILE 102 1HD1 ILE 102 17.566 -1.408 -7.774 782 HD13 ILE 102 2HD1 ILE 102 19.009 -1.798 -6.817 783 H GLY 103 H GLY 103 17.312 0.580 -4.436 784 HA2 GLY 103 2HA GLY 103 19.277 2.412 -3.308 785 HA3 GLY 103 3HA GLY 103 17.661 2.680 -2.657 786 H SER 104 H SER 104 18.239 -0.641 -3.411 787 HA SER 104 HA SER 104 19.459 -1.318 -0.817 788 HB2 SER 104 2HB SER 104 16.970 -1.143 -0.438 789 HB3 SER 104 3HB SER 104 16.758 -2.455 -1.615 790 HG SER 104 HG SER 104 16.880 -3.178 0.593 791 H LYS 105 H LYS 105 20.069 -3.558 -0.675 792 HA LYS 105 HA LYS 105 20.066 -5.273 -3.042 793 HB2 LYS 105 2HB LYS 105 22.490 -5.437 -3.278 794 HB3 LYS 105 3HB LYS 105 21.942 -3.798 -3.601 795 HG2 LYS 105 2HG LYS 105 22.731 -3.045 -1.398 796 HG3 LYS 105 3HG LYS 105 23.176 -4.706 -0.956 797 HD2 LYS 105 2HD LYS 105 24.824 -4.782 -2.780 798 HD3 LYS 105 3HD LYS 105 24.382 -3.135 -3.277 799 HE2 LYS 105 2HE LYS 105 25.143 -2.222 -1.146 800 HE3 LYS 105 3HE LYS 105 25.417 -3.846 -0.497 801 HZ1 LYS 105 3HZ LYS 105 26.905 -2.710 -2.803 802 HZ2 LYS 105 1HZ LYS 105 27.485 -2.827 -1.278 803 HZ3 LYS 105 2HZ LYS 105 27.156 -4.187 -2.122 804 H ALA 106 H ALA 106 21.246 -7.333 -2.641 805 HA ALA 106 HA ALA 106 21.609 -8.108 0.182 806 HB1 ALA 106 1HB ALA 106 19.271 -8.697 -0.314 807 HB2 ALA 106 2HB ALA 106 19.784 -9.591 -1.764 808 HB3 ALA 106 3HB ALA 106 20.268 -10.156 -0.149 809 H GLU 107 H GLU 107 23.528 -8.964 0.317 810 HA GLU 107 HA GLU 107 24.908 -10.067 -2.097 811 HB2 GLU 107 2HB GLU 107 26.042 -8.750 0.390 812 HB3 GLU 107 3HB GLU 107 26.969 -9.301 -1.013 813 HG2 GLU 107 2HG GLU 107 25.686 -7.723 -2.461 814 HG3 GLU 107 3HG GLU 107 24.874 -7.085 -1.029 815 H LYS 108 H LYS 108 23.479 -11.321 0.594 816 HA LYS 108 HA LYS 108 25.106 -13.785 0.555 817 HB2 LYS 108 2HB LYS 108 26.053 -12.380 2.381 818 HB3 LYS 108 3HB LYS 108 24.450 -12.229 3.097 819 HG2 LYS 108 2HG LYS 108 25.752 -13.855 4.320 820 HG3 LYS 108 3HG LYS 108 24.396 -14.662 3.535 821 HD2 LYS 108 2HD LYS 108 25.938 -15.498 1.748 822 HD3 LYS 108 3HD LYS 108 27.268 -14.605 2.494 823 HE2 LYS 108 2HE LYS 108 27.490 -16.889 3.149 824 HE3 LYS 108 3HE LYS 108 26.991 -15.972 4.572 825 HZ1 LYS 108 3HZ LYS 108 24.720 -16.790 4.215 826 HZ2 LYS 108 1HZ LYS 108 25.170 -17.597 2.867 827 HZ3 LYS 108 2HZ LYS 108 25.741 -18.055 4.324 Start of MODEL 7 1 H1 MET 1 H1 MET 1 -3.487 7.074 17.140 2 H2 MET 1 H2 MET 1 -3.810 8.617 16.681 3 H3 MET 1 H3 MET 1 -2.963 7.621 15.684 4 HA MET 1 HA MET 1 -5.765 7.255 16.495 5 HB2 MET 1 2HB MET 1 -5.220 9.140 14.844 6 HB3 MET 1 3HB MET 1 -4.767 7.898 13.686 7 HG2 MET 1 2HG MET 1 -7.476 8.199 15.054 8 HG3 MET 1 3HG MET 1 -7.089 8.798 13.451 9 HE1 MET 1 1HE MET 1 -5.473 6.355 12.063 10 HE2 MET 1 2HE MET 1 -6.849 5.557 11.279 11 HE3 MET 1 3HE MET 1 -6.755 7.331 11.305 12 H ALA 2 H ALA 2 -6.368 5.184 16.525 13 HA ALA 2 HA ALA 2 -6.322 2.951 16.392 14 HB1 ALA 2 1HB ALA 2 -5.776 3.516 13.461 15 HB2 ALA 2 2HB ALA 2 -6.473 2.030 14.137 16 HB3 ALA 2 3HB ALA 2 -7.361 3.553 14.269 17 H GLU 3 H GLU 3 -3.938 3.735 17.494 18 HA GLU 3 HA GLU 3 -1.590 2.566 16.486 19 HB2 GLU 3 2HB GLU 3 -2.444 2.695 19.411 20 HB3 GLU 3 3HB GLU 3 -0.823 2.397 18.795 21 HG2 GLU 3 2HG GLU 3 -0.621 4.607 19.259 22 HG3 GLU 3 3HG GLU 3 -1.137 4.728 17.582 23 H SER 4 H SER 4 -1.403 0.592 15.679 24 HA SER 4 HA SER 4 -1.708 -1.845 17.201 25 HB2 SER 4 2HB SER 4 -4.058 -1.621 16.746 26 HB3 SER 4 3HB SER 4 -3.767 -1.132 15.075 27 HG SER 4 HG SER 4 -4.440 -3.375 15.437 28 H SER 5 H SER 5 -0.762 -3.593 16.135 29 HA SER 5 HA SER 5 0.200 -3.243 13.334 30 HB2 SER 5 2HB SER 5 1.759 -4.704 15.470 31 HB3 SER 5 3HB SER 5 2.183 -4.491 13.756 32 HG SER 5 HG SER 5 3.271 -2.986 15.148 33 H ASP 6 H ASP 6 -2.266 -4.369 14.347 34 HA ASP 6 HA ASP 6 -1.955 -7.070 13.135 35 HB2 ASP 6 2HB ASP 6 -2.655 -6.892 15.634 36 HB3 ASP 6 3HB ASP 6 -4.219 -6.367 15.010 37 H LYS 7 H LYS 7 -2.418 -4.362 11.921 38 HA LYS 7 HA LYS 7 -4.940 -4.682 10.403 39 HB2 LYS 7 2HB LYS 7 -2.712 -2.680 10.423 40 HB3 LYS 7 3HB LYS 7 -4.010 -2.693 9.222 41 HG2 LYS 7 2HG LYS 7 -5.735 -2.391 10.812 42 HG3 LYS 7 3HG LYS 7 -4.710 -2.792 12.198 43 HD2 LYS 7 2HD LYS 7 -4.232 -0.461 10.388 44 HD3 LYS 7 3HD LYS 7 -5.198 -0.378 11.893 45 HE2 LYS 7 2HE LYS 7 -3.182 -1.367 13.112 46 HE3 LYS 7 3HE LYS 7 -2.239 -1.122 11.650 47 HZ1 LYS 7 3HZ LYS 7 -1.909 0.671 13.170 48 HZ2 LYS 7 1HZ LYS 7 -2.632 1.279 11.856 49 HZ3 LYS 7 2HZ LYS 7 -3.492 1.050 13.259 50 H LEU 8 H LEU 8 -4.892 -5.272 8.243 51 HA LEU 8 HA LEU 8 -2.794 -7.187 7.473 52 HB2 LEU 8 2HB LEU 8 -5.259 -6.065 6.044 53 HB3 LEU 8 3HB LEU 8 -4.303 -7.410 5.438 54 HG LEU 8 HG LEU 8 -5.837 -7.494 8.076 55 HD11 LEU 8 1HD1 LEU 8 -7.320 -7.148 6.140 56 HD12 LEU 8 2HD1 LEU 8 -6.572 -8.523 5.305 57 HD13 LEU 8 3HD1 LEU 8 -7.502 -8.785 6.806 58 HD21 LEU 8 3HD2 LEU 8 -4.561 -9.667 6.362 59 HD22 LEU 8 1HD2 LEU 8 -3.981 -9.104 7.946 60 HD23 LEU 8 2HD2 LEU 8 -5.541 -9.933 7.824 61 H TYR 9 H TYR 9 -3.477 -3.817 6.738 62 HA TYR 9 HA TYR 9 -1.665 -3.946 4.378 63 HB2 TYR 9 2HB TYR 9 -4.371 -2.599 4.506 64 HB3 TYR 9 3HB TYR 9 -3.304 -2.669 3.108 65 HD1 TYR 9 HD2 TYR 9 -2.589 -5.425 2.791 66 HD2 TYR 9 HD1 TYR 9 -6.321 -3.765 4.117 67 HE1 TYR 9 HE2 TYR 9 -3.769 -7.494 2.033 68 HE2 TYR 9 HE1 TYR 9 -7.503 -5.837 3.405 69 HH TYR 9 HH TYR 9 -7.310 -7.874 2.394 70 H ARG 10 H ARG 10 -0.782 -1.979 3.737 71 HA ARG 10 HA ARG 10 -1.046 0.381 5.490 72 HB2 ARG 10 2HB ARG 10 0.900 -0.555 6.420 73 HB3 ARG 10 3HB ARG 10 1.413 -1.229 4.894 74 HG2 ARG 10 2HG ARG 10 2.985 0.443 5.500 75 HG3 ARG 10 3HG ARG 10 2.118 0.985 4.082 76 HD2 ARG 10 2HD ARG 10 2.301 2.906 5.464 77 HD3 ARG 10 3HD ARG 10 0.638 2.362 5.652 78 HE ARG 10 HE ARG 10 1.070 1.672 7.879 79 HH11 ARG 10 1HH2 ARG 10 3.990 3.347 6.684 80 HH12 ARG 10 2HH2 ARG 10 4.733 3.131 8.232 81 HH21 ARG 10 1HH1 ARG 10 1.959 1.804 9.722 82 HH22 ARG 10 2HH1 ARG 10 3.614 2.366 9.951 83 H VAL 11 H VAL 11 -0.911 2.319 4.346 84 HA VAL 11 HA VAL 11 0.212 2.353 1.614 85 HB VAL 11 HB VAL 11 -2.332 2.108 1.518 86 HG11 VAL 11 1HG1 VAL 11 -2.327 5.072 2.241 87 HG12 VAL 11 2HG1 VAL 11 -3.720 4.058 1.840 88 HG13 VAL 11 3HG1 VAL 11 -2.815 3.814 3.353 89 HG21 VAL 11 3HG2 VAL 11 -2.514 3.640 -0.378 90 HG22 VAL 11 1HG2 VAL 11 -1.194 4.656 0.240 91 HG23 VAL 11 2HG2 VAL 11 -0.849 3.045 -0.366 92 H GLU 12 H GLU 12 1.319 4.274 1.155 93 HA GLU 12 HA GLU 12 0.975 6.684 2.726 94 HB2 GLU 12 2HB GLU 12 3.204 6.685 3.783 95 HB3 GLU 12 3HB GLU 12 2.193 5.417 4.443 96 HG2 GLU 12 2HG GLU 12 3.365 3.715 3.124 97 HG3 GLU 12 3HG GLU 12 4.309 4.958 2.289 98 H TYR 13 H TYR 13 2.309 8.379 2.163 99 HA TYR 13 HA TYR 13 3.876 8.248 -0.317 100 HB2 TYR 13 2HB TYR 13 3.846 10.406 1.806 101 HB3 TYR 13 3HB TYR 13 4.353 10.546 0.127 102 HD1 TYR 13 HD1 TYR 13 2.144 9.319 -1.387 103 HD2 TYR 13 HD2 TYR 13 1.951 11.692 2.201 104 HE1 TYR 13 HE1 TYR 13 -0.073 10.204 -2.095 105 HE2 TYR 13 HE2 TYR 13 -0.291 12.541 1.520 106 HH TYR 13 HH TYR 13 -1.771 11.667 -1.627 107 H ALA 14 H ALA 14 5.947 7.553 -0.325 108 HA ALA 14 HA ALA 14 7.057 6.212 1.844 109 HB1 ALA 14 1HB ALA 14 8.334 7.261 -0.709 110 HB2 ALA 14 2HB ALA 14 9.061 6.035 0.335 111 HB3 ALA 14 3HB ALA 14 7.524 5.705 -0.502 112 H LYS 15 H LYS 15 7.932 6.918 3.679 113 HA LYS 15 HA LYS 15 8.847 9.564 4.252 114 HB2 LYS 15 2HB LYS 15 9.327 6.888 5.638 115 HB3 LYS 15 3HB LYS 15 10.029 8.389 6.220 116 HG2 LYS 15 2HG LYS 15 8.096 8.006 7.502 117 HG3 LYS 15 3HG LYS 15 7.768 9.387 6.453 118 HD2 LYS 15 2HD LYS 15 6.402 7.979 4.977 119 HD3 LYS 15 3HD LYS 15 6.830 6.529 5.921 120 HE2 LYS 15 2HE LYS 15 5.731 7.507 7.906 121 HE3 LYS 15 3HE LYS 15 5.360 8.977 6.987 122 HZ1 LYS 15 3HZ LYS 15 3.454 7.444 7.038 123 HZ2 LYS 15 1HZ LYS 15 3.992 7.645 5.513 124 HZ3 LYS 15 2HZ LYS 15 4.349 6.258 6.309 125 H SER 16 H SER 16 10.668 6.659 3.419 126 HA SER 16 HA SER 16 12.807 8.200 2.153 127 HB2 SER 16 2HB SER 16 13.578 8.015 4.511 128 HB3 SER 16 3HB SER 16 13.459 6.248 4.397 129 HG SER 16 HG SER 16 15.588 7.213 3.940 130 H GLY 17 H GLY 17 14.053 6.859 0.695 131 HA2 GLY 17 2HA GLY 17 12.342 4.855 -0.529 132 HA3 GLY 17 3HA GLY 17 13.835 5.521 -1.187 133 H ARG 18 H ARG 18 13.543 3.942 1.985 134 HA ARG 18 HA ARG 18 15.756 2.108 1.411 135 HB2 ARG 18 2HB ARG 18 13.878 2.165 3.818 136 HB3 ARG 18 3HB ARG 18 15.437 1.359 3.717 137 HG2 ARG 18 2HG ARG 18 14.924 4.351 3.816 138 HG3 ARG 18 3HG ARG 18 15.669 3.327 5.044 139 HD2 ARG 18 2HD ARG 18 17.519 2.832 3.349 140 HD3 ARG 18 3HD ARG 18 16.794 4.103 2.341 141 HE ARG 18 HE ARG 18 17.274 5.063 5.015 142 HH11 ARG 18 1HH2 ARG 18 19.017 4.434 2.031 143 HH12 ARG 18 2HH2 ARG 18 20.342 5.475 2.496 144 HH21 ARG 18 1HH1 ARG 18 18.964 6.413 5.500 145 HH22 ARG 18 2HH1 ARG 18 20.288 6.587 4.388 146 H ALA 19 H ALA 19 12.283 1.830 1.310 147 HA ALA 19 HA ALA 19 12.099 -0.982 1.760 148 HB1 ALA 19 1HB ALA 19 10.130 0.923 0.435 149 HB2 ALA 19 2HB ALA 19 9.767 -0.691 1.063 150 HB3 ALA 19 3HB ALA 19 10.251 0.593 2.184 151 H SER 20 H SER 20 11.634 -2.663 0.389 152 HA SER 20 HA SER 20 12.398 -2.358 -2.477 153 HB2 SER 20 2HB SER 20 13.228 -4.633 -2.440 154 HB3 SER 20 3HB SER 20 14.105 -3.577 -1.322 155 HG SER 20 HG SER 20 13.673 -5.497 -0.276 156 H CYS 21 HN CYS 21 11.103 -3.153 -4.008 157 HA CYS 21 HA CYS 21 8.352 -3.771 -3.241 158 HB2 CYS 21 2HB CYS 21 8.941 -2.262 -5.095 159 HB3 CYS 21 3HB CYS 21 9.705 -3.616 -5.948 160 H LYS 22 H LYS 22 7.689 -5.731 -2.746 161 HA LYS 22 HA LYS 22 9.328 -8.089 -3.188 162 HB2 LYS 22 2HB LYS 22 6.494 -7.900 -2.105 163 HB3 LYS 22 3HB LYS 22 7.595 -9.253 -1.868 164 HG2 LYS 22 2HG LYS 22 8.173 -6.463 -0.852 165 HG3 LYS 22 3HG LYS 22 7.258 -7.645 0.063 166 HD2 LYS 22 2HD LYS 22 9.134 -9.193 0.061 167 HD3 LYS 22 3HD LYS 22 10.088 -8.123 -0.999 168 HE2 LYS 22 2HE LYS 22 8.983 -7.307 1.705 169 HE3 LYS 22 3HE LYS 22 10.567 -8.072 1.536 170 HZ1 LYS 22 3HZ LYS 22 9.861 -5.518 0.148 171 HZ2 LYS 22 1HZ LYS 22 10.701 -5.606 1.561 172 HZ3 LYS 22 2HZ LYS 22 11.320 -6.210 0.194 173 H LYS 23 H LYS 23 7.187 -6.641 -5.250 174 HA LYS 23 HA LYS 23 6.311 -9.189 -6.559 175 HB2 LYS 23 2HB LYS 23 4.514 -7.739 -5.817 176 HB3 LYS 23 3HB LYS 23 5.191 -6.381 -6.711 177 HG2 LYS 23 2HG LYS 23 3.238 -7.368 -7.818 178 HG3 LYS 23 3HG LYS 23 4.672 -7.437 -8.842 179 HD2 LYS 23 2HD LYS 23 4.957 -9.831 -8.360 180 HD3 LYS 23 3HD LYS 23 3.629 -9.784 -7.187 181 HE2 LYS 23 2HE LYS 23 2.054 -9.158 -8.991 182 HE3 LYS 23 3HE LYS 23 3.382 -9.150 -10.161 183 HZ1 LYS 23 3HZ LYS 23 2.467 -11.545 -8.649 184 HZ2 LYS 23 1HZ LYS 23 2.145 -11.246 -10.219 185 HZ3 LYS 23 2HZ LYS 23 3.679 -11.531 -9.746 186 H CYS 24 HN CYS 24 7.598 -5.957 -7.544 187 HA CYS 24 HA CYS 24 8.476 -7.240 -10.076 188 HB2 CYS 24 2HB CYS 24 8.464 -5.220 -11.150 189 HB3 CYS 24 3HB CYS 24 6.962 -5.290 -10.233 190 H SER 25 H SER 25 9.843 -6.726 -7.158 191 HA SER 25 HA SER 25 11.900 -6.899 -6.332 192 HB2 SER 25 2HB SER 25 12.691 -7.994 -9.037 193 HB3 SER 25 3HB SER 25 13.571 -8.195 -7.513 194 HG SER 25 HG SER 25 12.220 -9.995 -7.987 195 H GLU 26 H GLU 26 11.263 -4.337 -7.764 196 HA GLU 26 HA GLU 26 14.011 -3.178 -7.982 197 HB2 GLU 26 2HB GLU 26 11.270 -1.938 -8.431 198 HB3 GLU 26 3HB GLU 26 12.804 -1.102 -8.621 199 HG2 GLU 26 2HG GLU 26 11.795 -3.436 -10.293 200 HG3 GLU 26 3HG GLU 26 11.918 -1.754 -10.789 201 H SER 27 H SER 27 13.927 -0.821 -6.823 202 HA SER 27 HA SER 27 12.789 -1.170 -4.087 203 HB2 SER 27 2HB SER 27 15.369 0.269 -4.669 204 HB3 SER 27 3HB SER 27 14.533 0.095 -3.105 205 HG SER 27 HG SER 27 15.461 -2.082 -4.690 206 H ILE 28 H ILE 28 11.952 0.574 -3.050 207 HA ILE 28 HA ILE 28 10.351 2.020 -5.010 208 HB ILE 28 HB ILE 28 9.968 1.588 -2.037 209 HG12 ILE 28 2HG1 ILE 28 8.614 0.128 -4.349 210 HG13 ILE 28 3HG1 ILE 28 9.983 -0.527 -3.455 211 HG21 ILE 28 1HG2 ILE 28 8.053 2.610 -4.206 212 HG22 ILE 28 2HG2 ILE 28 7.601 2.231 -2.542 213 HG23 ILE 28 3HG2 ILE 28 8.698 3.566 -2.860 214 HD11 ILE 28 3HD1 ILE 28 7.250 0.065 -2.284 215 HD12 ILE 28 1HD1 ILE 28 8.012 -1.506 -2.554 216 HD13 ILE 28 2HD1 ILE 28 8.685 -0.407 -1.341 217 HA PRO 29 HA PRO 29 12.617 5.770 -4.132 218 HB2 PRO 29 2HB PRO 29 10.310 7.174 -5.459 219 HB3 PRO 29 3HB PRO 29 12.066 7.352 -5.762 220 HG2 PRO 29 2HG PRO 29 10.536 5.896 -7.454 221 HG3 PRO 29 3HG PRO 29 12.144 5.276 -6.948 222 HD2 PRO 29 2HD PRO 29 9.415 4.538 -5.838 223 HD3 PRO 29 3HD PRO 29 10.771 3.483 -6.337 224 H LYS 30 H LYS 30 12.686 7.590 -2.809 225 HA LYS 30 HA LYS 30 10.833 7.970 -0.617 226 HB2 LYS 30 2HB LYS 30 13.243 8.593 -0.564 227 HB3 LYS 30 3HB LYS 30 12.963 9.790 -1.828 228 HG2 LYS 30 2HG LYS 30 11.481 11.070 -0.305 229 HG3 LYS 30 3HG LYS 30 11.726 9.856 0.963 230 HD2 LYS 30 2HD LYS 30 14.174 10.384 0.967 231 HD3 LYS 30 3HD LYS 30 13.918 11.512 -0.367 232 HE2 LYS 30 2HE LYS 30 14.018 12.934 1.458 233 HE3 LYS 30 3HE LYS 30 12.286 12.774 1.166 234 HZ1 LYS 30 3HZ LYS 30 12.244 11.104 3.000 235 HZ2 LYS 30 1HZ LYS 30 13.844 11.330 3.250 236 HZ3 LYS 30 2HZ LYS 30 12.799 12.550 3.519 237 H ASP 31 H ASP 31 9.237 9.516 -0.344 238 HA ASP 31 HA ASP 31 7.377 10.610 -0.932 239 HB2 ASP 31 2HB ASP 31 9.132 12.371 -0.964 240 HB3 ASP 31 3HB ASP 31 9.221 12.221 -2.718 241 H SER 32 H SER 32 7.514 8.217 -2.287 242 HA SER 32 HA SER 32 5.790 8.790 -4.635 243 HB2 SER 32 2HB SER 32 6.446 6.796 -5.713 244 HB3 SER 32 3HB SER 32 7.937 7.660 -5.322 245 HG SER 32 HG SER 32 8.305 6.219 -3.637 246 H LEU 33 H LEU 33 4.063 7.082 -4.870 247 HA LEU 33 HA LEU 33 2.928 6.609 -2.197 248 HB2 LEU 33 2HB LEU 33 1.560 7.707 -3.985 249 HB3 LEU 33 3HB LEU 33 1.687 6.226 -4.940 250 HG LEU 33 HG LEU 33 0.578 5.003 -3.004 251 HD11 LEU 33 1HD1 LEU 33 -0.089 7.814 -2.062 252 HD12 LEU 33 2HD1 LEU 33 -0.795 6.308 -1.445 253 HD13 LEU 33 3HD1 LEU 33 0.917 6.636 -1.196 254 HD21 LEU 33 3HD2 LEU 33 -1.033 7.237 -4.294 255 HD22 LEU 33 1HD2 LEU 33 -0.649 5.673 -5.050 256 HD23 LEU 33 2HD2 LEU 33 -1.680 5.724 -3.609 257 H ARG 34 H ARG 34 2.973 4.720 -1.216 258 HA ARG 34 HA ARG 34 3.430 2.196 -2.705 259 HB2 ARG 34 2HB ARG 34 5.282 1.551 -1.337 260 HB3 ARG 34 3HB ARG 34 5.628 3.101 -2.102 261 HG2 ARG 34 2HG ARG 34 5.222 4.283 0.017 262 HG3 ARG 34 3HG ARG 34 4.760 2.758 0.802 263 HD2 ARG 34 2HD ARG 34 7.022 1.834 0.325 264 HD3 ARG 34 3HD ARG 34 7.471 3.368 -0.439 265 HE ARG 34 HE ARG 34 6.546 3.617 2.351 266 HH11 ARG 34 1HH2 ARG 34 9.436 3.252 0.382 267 HH12 ARG 34 2HH2 ARG 34 10.429 3.942 1.647 268 HH21 ARG 34 1HH1 ARG 34 7.816 4.266 3.848 269 HH22 ARG 34 2HH1 ARG 34 9.579 4.202 3.690 270 H MET 35 H MET 35 3.172 0.301 -1.407 271 HA MET 35 HA MET 35 1.305 0.572 0.857 272 HB2 MET 35 2HB MET 35 0.875 -1.073 -1.673 273 HB3 MET 35 3HB MET 35 0.010 -1.394 -0.160 274 HG2 MET 35 2HG MET 35 -0.844 0.911 -0.150 275 HG3 MET 35 3HG MET 35 -0.047 1.218 -1.698 276 HE1 MET 35 3HE MET 35 -2.329 -1.648 -0.141 277 HE2 MET 35 1HE MET 35 -3.153 -0.101 0.175 278 HE3 MET 35 2HE MET 35 -3.864 -1.273 -0.956 279 H ALA 36 H ALA 36 1.070 -1.401 2.118 280 HA ALA 36 HA ALA 36 3.226 -3.359 1.792 281 HB1 ALA 36 1HB ALA 36 3.201 -2.608 4.594 282 HB2 ALA 36 2HB ALA 36 4.549 -2.695 3.450 283 HB3 ALA 36 3HB ALA 36 3.589 -1.208 3.569 284 H ILE 37 H ILE 37 3.011 -5.240 3.305 285 HA ILE 37 HA ILE 37 0.205 -5.673 4.220 286 HB ILE 37 HB ILE 37 1.778 -7.100 2.164 287 HG12 ILE 37 2HG1 ILE 37 -1.173 -7.121 2.909 288 HG13 ILE 37 3HG1 ILE 37 -0.399 -5.852 1.950 289 HG21 ILE 37 1HG2 ILE 37 0.240 -8.795 4.153 290 HG22 ILE 37 2HG2 ILE 37 0.937 -9.319 2.586 291 HG23 ILE 37 3HG2 ILE 37 2.004 -8.813 3.884 292 HD11 ILE 37 3HD1 ILE 37 -0.679 -8.763 1.151 293 HD12 ILE 37 1HD1 ILE 37 -1.539 -7.370 0.472 294 HD13 ILE 37 2HD1 ILE 37 0.211 -7.529 0.229 295 H MET 38 H MET 38 -0.116 -6.760 6.133 296 HA MET 38 HA MET 38 2.341 -7.181 7.694 297 HB2 MET 38 2HB MET 38 0.237 -5.941 8.449 298 HB3 MET 38 3HB MET 38 -0.512 -7.537 8.617 299 HG2 MET 38 2HG MET 38 0.214 -7.265 10.744 300 HG3 MET 38 3HG MET 38 1.681 -7.990 10.088 301 HE1 MET 38 3HE MET 38 3.660 -6.308 9.089 302 HE2 MET 38 1HE MET 38 2.515 -5.163 8.353 303 HE3 MET 38 2HE MET 38 3.772 -4.573 9.475 304 H VAL 39 H VAL 39 3.383 -8.964 7.943 305 HA VAL 39 HA VAL 39 1.864 -11.500 8.280 306 HB VAL 39 HB VAL 39 2.613 -11.455 5.953 307 HG11 VAL 39 1HG1 VAL 39 5.467 -11.379 7.013 308 HG12 VAL 39 2HG1 VAL 39 4.951 -11.592 5.328 309 HG13 VAL 39 3HG1 VAL 39 4.643 -10.060 6.155 310 HG21 VAL 39 3HG2 VAL 39 3.606 -13.614 5.819 311 HG22 VAL 39 1HG2 VAL 39 4.192 -13.531 7.484 312 HG23 VAL 39 2HG2 VAL 39 2.442 -13.610 7.151 313 H GLN 40 H GLN 40 2.754 -12.996 9.648 314 HA GLN 40 HA GLN 40 4.670 -12.088 11.654 315 HB2 GLN 40 2HB GLN 40 4.395 -14.522 12.431 316 HB3 GLN 40 3HB GLN 40 3.031 -13.417 12.582 317 HG2 GLN 40 2HG GLN 40 1.916 -14.355 10.646 318 HG3 GLN 40 3HG GLN 40 3.317 -15.352 10.247 319 HE21 GLN 40 2HE2 GLN 40 1.294 -16.930 10.315 320 HE22 GLN 40 1HE2 GLN 40 1.066 -17.728 11.866 321 H SER 41 H SER 41 6.837 -12.362 11.686 322 HA SER 41 HA SER 41 8.000 -13.154 9.176 323 HB2 SER 41 2HB SER 41 8.725 -11.189 10.560 324 HB3 SER 41 3HB SER 41 9.525 -12.352 11.642 325 HG SER 41 HG SER 41 10.686 -11.379 9.686 326 HA PRO 42 HA PRO 42 9.744 -17.095 10.321 327 HB2 PRO 42 2HB PRO 42 11.408 -16.537 7.868 328 HB3 PRO 42 3HB PRO 42 10.571 -18.047 8.336 329 HG2 PRO 42 2HG PRO 42 9.521 -16.423 6.428 330 HG3 PRO 42 3HG PRO 42 8.454 -17.173 7.664 331 HD2 PRO 42 2HD PRO 42 9.601 -14.361 7.643 332 HD3 PRO 42 3HD PRO 42 7.930 -14.902 7.980 333 H MET 43 H MET 43 11.303 -14.002 10.021 334 HA MET 43 HA MET 43 13.812 -15.020 11.279 335 HB2 MET 43 2HB MET 43 15.135 -13.763 9.843 336 HB3 MET 43 3HB MET 43 13.940 -14.584 8.849 337 HG2 MET 43 2HG MET 43 12.706 -12.152 9.312 338 HG3 MET 43 3HG MET 43 14.398 -11.690 9.328 339 HE1 MET 43 3HE MET 43 12.308 -14.386 7.391 340 HE2 MET 43 1HE MET 43 11.334 -12.906 7.294 341 HE3 MET 43 2HE MET 43 12.056 -13.589 5.818 342 H PHE 44 H PHE 44 11.294 -13.154 12.124 343 HA PHE 44 HA PHE 44 12.917 -11.430 13.916 344 HB2 PHE 44 2HB PHE 44 12.391 -10.032 11.983 345 HB3 PHE 44 3HB PHE 44 10.689 -10.440 12.103 346 HD1 PHE 44 HD1 PHE 44 13.477 -8.813 14.022 347 HD2 PHE 44 HD2 PHE 44 9.219 -9.119 13.400 348 HE1 PHE 44 HE1 PHE 44 13.107 -6.916 15.585 349 HE2 PHE 44 HE2 PHE 44 8.854 -7.219 14.957 350 HZ PHE 44 HZ PHE 44 10.797 -6.120 16.056 351 H ASP 45 H ASP 45 11.729 -10.600 15.733 352 HA ASP 45 HA ASP 45 10.065 -12.727 16.875 353 HB2 ASP 45 2HB ASP 45 12.117 -11.871 17.982 354 HB3 ASP 45 3HB ASP 45 11.339 -10.303 18.184 355 H GLY 46 H GLY 46 8.557 -11.539 15.012 356 HA2 GLY 46 2HA GLY 46 6.111 -10.840 16.109 357 HA3 GLY 46 3HA GLY 46 6.966 -9.301 15.946 358 H LYS 47 H LYS 47 5.447 -8.589 14.434 359 HA LYS 47 HA LYS 47 5.363 -10.006 11.814 360 HB2 LYS 47 2HB LYS 47 3.309 -8.012 12.805 361 HB3 LYS 47 3HB LYS 47 3.232 -9.074 11.396 362 HG2 LYS 47 2HG LYS 47 3.671 -10.921 13.404 363 HG3 LYS 47 3HG LYS 47 2.788 -9.693 14.296 364 HD2 LYS 47 2HD LYS 47 1.919 -11.163 11.782 365 HD3 LYS 47 3HD LYS 47 1.366 -11.503 13.415 366 HE2 LYS 47 2HE LYS 47 0.808 -8.967 11.814 367 HE3 LYS 47 3HE LYS 47 -0.300 -10.318 12.067 368 HZ1 LYS 47 3HZ LYS 47 0.326 -9.643 14.599 369 HZ2 LYS 47 1HZ LYS 47 0.338 -8.157 13.878 370 HZ3 LYS 47 2HZ LYS 47 -0.997 -9.116 13.818 371 H VAL 48 H VAL 48 5.548 -8.991 9.917 372 HA VAL 48 HA VAL 48 7.118 -6.460 9.966 373 HB VAL 48 HB VAL 48 8.633 -7.519 8.307 374 HG11 VAL 48 1HG1 VAL 48 8.526 -8.922 11.017 375 HG12 VAL 48 2HG1 VAL 48 9.947 -8.760 9.969 376 HG13 VAL 48 3HG1 VAL 48 9.229 -7.323 10.711 377 HG21 VAL 48 3HG2 VAL 48 7.257 -9.397 7.506 378 HG22 VAL 48 1HG2 VAL 48 8.790 -9.972 8.169 379 HG23 VAL 48 2HG2 VAL 48 7.298 -10.140 9.114 380 HA PRO 49 HA PRO 49 4.525 -5.532 6.511 381 HB2 PRO 49 2HB PRO 49 5.551 -3.150 5.660 382 HB3 PRO 49 3HB PRO 49 4.725 -3.342 7.238 383 HG2 PRO 49 2HG PRO 49 7.707 -3.355 6.672 384 HG3 PRO 49 3HG PRO 49 6.825 -2.461 7.948 385 HD2 PRO 49 2HD PRO 49 8.075 -4.878 8.384 386 HD3 PRO 49 3HD PRO 49 6.597 -4.379 9.263 387 H HIS 50 H HIS 50 4.483 -6.438 4.509 388 HA HIS 50 HA HIS 50 6.960 -6.673 2.860 389 HB2 HIS 50 2HB HIS 50 4.200 -7.926 2.746 390 HB3 HIS 50 3HB HIS 50 5.276 -7.941 1.353 391 HD2 HIS 50 HD2 HIS 50 6.817 -8.345 4.822 392 HE1 HIS 50 HE1 HIS 50 6.995 -12.177 2.965 393 HE2 HIS 50 HE2 HIS 50 7.785 -10.803 4.958 394 H TRP 51 H TRP 51 7.446 -4.755 1.966 395 HA TRP 51 HA TRP 51 5.415 -2.866 1.156 396 HB2 TRP 51 2HB TRP 51 8.429 -2.908 0.803 397 HB3 TRP 51 3HB TRP 51 7.380 -1.572 0.356 398 HD1 TRP 51 HD1 TRP 51 9.160 -3.028 3.307 399 HE1 TRP 51 HE1 TRP 51 8.780 -1.563 5.378 400 HE3 TRP 51 HE3 TRP 51 5.427 -0.028 1.494 401 HZ2 TRP 51 HZ2 TRP 51 7.037 0.598 6.171 402 HZ3 TRP 51 HZ3 TRP 51 4.393 1.699 2.948 403 HH2 TRP 51 HH2 TRP 51 5.204 2.028 5.277 404 H TYR 52 H TYR 52 4.819 -2.232 -0.863 405 HA TYR 52 HA TYR 52 6.281 -3.137 -3.218 406 HB2 TYR 52 2HB TYR 52 3.388 -3.478 -3.650 407 HB3 TYR 52 3HB TYR 52 4.784 -4.382 -4.236 408 HD1 TYR 52 HD2 TYR 52 2.787 -4.019 -1.029 409 HD2 TYR 52 HD1 TYR 52 4.952 -6.589 -3.725 410 HE1 TYR 52 HE2 TYR 52 2.026 -6.036 0.255 411 HE2 TYR 52 HE1 TYR 52 4.205 -8.579 -2.436 412 HH TYR 52 HH TYR 52 3.033 -9.345 -0.640 413 H HIS 53 H HIS 53 5.631 -1.864 -5.136 414 HA HIS 53 HA HIS 53 4.965 0.915 -4.675 415 HB2 HIS 53 2HB HIS 53 4.546 -0.752 -7.190 416 HB3 HIS 53 3HB HIS 53 4.465 0.986 -7.100 417 HD2 HIS 53 HD2 HIS 53 6.762 2.342 -6.473 418 HE1 HIS 53 HE1 HIS 53 9.350 -0.616 -8.107 419 HE2 HIS 53 HE2 HIS 53 9.164 1.805 -7.442 420 H PHE 54 H PHE 54 2.917 2.048 -5.128 421 HA PHE 54 HA PHE 54 0.596 0.920 -4.028 422 HB2 PHE 54 2HB PHE 54 0.654 3.244 -4.281 423 HB3 PHE 54 3HB PHE 54 1.031 3.171 -5.998 424 HD1 PHE 54 HD1 PHE 54 -1.726 2.565 -3.507 425 HD2 PHE 54 HD2 PHE 54 -0.676 3.093 -7.661 426 HE1 PHE 54 HE1 PHE 54 -4.141 2.586 -4.135 427 HE2 PHE 54 HE2 PHE 54 -3.085 3.097 -8.263 428 HZ PHE 54 HZ PHE 54 -4.808 2.774 -6.509 429 H SER 55 H SER 55 1.662 0.847 -7.467 430 HA SER 55 HA SER 55 -0.774 -0.310 -8.515 431 HB2 SER 55 2HB SER 55 0.683 -0.592 -10.541 432 HB3 SER 55 3HB SER 55 0.590 1.069 -9.925 433 HG SER 55 HG SER 55 2.738 0.530 -10.369 434 H CYS 56 HN CYS 56 2.421 -1.550 -7.545 435 HA CYS 56 HA CYS 56 2.105 -4.164 -8.436 436 HB2 CYS 56 2HB CYS 56 3.833 -2.940 -6.279 437 HB3 CYS 56 3HB CYS 56 3.992 -4.613 -6.807 438 H PHE 57 H PHE 57 1.139 -2.782 -5.301 439 HA PHE 57 HA PHE 57 0.385 -5.106 -3.874 440 HB2 PHE 57 2HB PHE 57 0.280 -2.797 -3.034 441 HB3 PHE 57 3HB PHE 57 -1.075 -2.450 -4.102 442 HD1 PHE 57 HD2 PHE 57 -3.251 -3.797 -3.818 443 HD2 PHE 57 HD1 PHE 57 -0.085 -3.790 -0.889 444 HE1 PHE 57 HE2 PHE 57 -4.822 -4.678 -2.127 445 HE2 PHE 57 HE1 PHE 57 -1.701 -4.556 0.831 446 HZ PHE 57 HZ PHE 57 -4.055 -5.056 0.206 447 H TRP 58 H TRP 58 -1.489 -3.323 -6.369 448 HA TRP 58 HA TRP 58 -3.660 -5.232 -6.390 449 HB2 TRP 58 2HB TRP 58 -2.995 -3.091 -8.418 450 HB3 TRP 58 3HB TRP 58 -4.545 -3.867 -8.155 451 HD1 TRP 58 HD1 TRP 58 -2.614 -0.906 -7.272 452 HE1 TRP 58 HE1 TRP 58 -3.485 0.373 -5.254 453 HE3 TRP 58 HE3 TRP 58 -6.111 -4.295 -5.595 454 HZ2 TRP 58 HZ2 TRP 58 -5.493 0.016 -3.185 455 HZ3 TRP 58 HZ3 TRP 58 -7.464 -3.784 -3.609 456 HH2 TRP 58 HH2 TRP 58 -7.169 -1.635 -2.406 457 H LYS 59 H LYS 59 -0.580 -5.229 -7.998 458 HA LYS 59 HA LYS 59 -1.318 -7.198 -10.059 459 HB2 LYS 59 2HB LYS 59 1.410 -6.433 -8.986 460 HB3 LYS 59 3HB LYS 59 1.105 -7.489 -10.365 461 HG2 LYS 59 2HG LYS 59 0.118 -5.696 -11.650 462 HG3 LYS 59 3HG LYS 59 0.110 -4.636 -10.242 463 HD2 LYS 59 2HD LYS 59 2.744 -5.083 -10.255 464 HD3 LYS 59 3HD LYS 59 2.455 -5.475 -11.958 465 HE2 LYS 59 2HE LYS 59 1.588 -3.312 -12.422 466 HE3 LYS 59 3HE LYS 59 1.227 -3.004 -10.719 467 HZ1 LYS 59 3HZ LYS 59 3.979 -3.141 -11.803 468 HZ2 LYS 59 1HZ LYS 59 3.156 -1.759 -11.470 469 HZ3 LYS 59 2HZ LYS 59 3.577 -2.795 -10.254 470 H VAL 60 H VAL 60 -0.169 -7.255 -6.687 471 HA VAL 60 HA VAL 60 -0.025 -10.198 -6.579 472 HB VAL 60 HB VAL 60 -0.289 -8.231 -4.274 473 HG11 VAL 60 1HG1 VAL 60 0.655 -11.134 -4.362 474 HG12 VAL 60 2HG1 VAL 60 0.667 -10.075 -2.935 475 HG13 VAL 60 3HG1 VAL 60 -0.870 -10.568 -3.658 476 HG21 VAL 60 3HG2 VAL 60 2.127 -8.504 -3.988 477 HG22 VAL 60 1HG2 VAL 60 2.211 -9.549 -5.418 478 HG23 VAL 60 2HG2 VAL 60 1.808 -7.827 -5.579 479 H GLY 61 H GLY 61 -2.462 -7.694 -5.921 480 HA2 GLY 61 2HA GLY 61 -4.683 -7.839 -6.539 481 HA3 GLY 61 3HA GLY 61 -4.493 -9.558 -6.863 482 H HIS 62 H HIS 62 -3.768 -8.116 -3.688 483 HA HIS 62 HA HIS 62 -5.715 -9.789 -2.308 484 HB2 HIS 62 2HB HIS 62 -4.004 -7.445 -1.409 485 HB3 HIS 62 3HB HIS 62 -5.127 -8.291 -0.349 486 HD2 HIS 62 HD2 HIS 62 -1.724 -8.719 -2.040 487 HE1 HIS 62 HE1 HIS 62 -2.268 -12.119 0.477 488 HE2 HIS 62 HE2 HIS 62 -0.611 -10.868 -0.993 489 H SER 63 H SER 63 -7.818 -9.429 -1.964 490 HA SER 63 HA SER 63 -9.074 -6.893 -2.796 491 HB2 SER 63 2HB SER 63 -10.283 -9.449 -1.668 492 HB3 SER 63 3HB SER 63 -11.189 -8.052 -2.280 493 HG SER 63 HG SER 63 -10.936 -9.707 -3.868 494 H ILE 64 H ILE 64 -9.372 -5.249 -1.548 495 HA ILE 64 HA ILE 64 -9.166 -5.527 1.408 496 HB ILE 64 HB ILE 64 -9.046 -3.034 -0.295 497 HG12 ILE 64 2HG1 ILE 64 -6.747 -4.735 0.713 498 HG13 ILE 64 3HG1 ILE 64 -7.147 -4.313 -0.951 499 HG21 ILE 64 1HG2 ILE 64 -8.277 -3.553 2.624 500 HG22 ILE 64 2HG2 ILE 64 -8.132 -2.008 1.781 501 HG23 ILE 64 3HG2 ILE 64 -9.731 -2.687 2.077 502 HD11 ILE 64 3HD1 ILE 64 -6.799 -1.841 -0.227 503 HD12 ILE 64 1HD1 ILE 64 -5.962 -2.540 1.182 504 HD13 ILE 64 2HD1 ILE 64 -5.380 -2.868 -0.452 505 H ARG 65 H ARG 65 -11.030 -5.661 2.434 506 HA ARG 65 HA ARG 65 -13.530 -5.037 0.989 507 HB2 ARG 65 2HB ARG 65 -14.546 -6.392 2.939 508 HB3 ARG 65 3HB ARG 65 -13.688 -7.206 1.653 509 HG2 ARG 65 2HG ARG 65 -12.231 -6.515 4.225 510 HG3 ARG 65 3HG ARG 65 -13.334 -7.892 4.150 511 HD2 ARG 65 2HD ARG 65 -12.085 -8.843 2.234 512 HD3 ARG 65 3HD ARG 65 -10.921 -7.520 2.330 513 HE ARG 65 HE ARG 65 -11.237 -8.967 4.841 514 HH11 ARG 65 1HH2 ARG 65 -9.429 -8.978 1.805 515 HH12 ARG 65 2HH2 ARG 65 -8.249 -10.090 2.443 516 HH21 ARG 65 1HH1 ARG 65 -9.653 -10.340 5.561 517 HH22 ARG 65 2HH1 ARG 65 -8.348 -10.795 4.509 518 H HIS 66 H HIS 66 -11.808 -3.760 3.620 519 HA HIS 66 HA HIS 66 -13.671 -1.517 3.792 520 HB2 HIS 66 2HB HIS 66 -13.622 -1.522 6.312 521 HB3 HIS 66 3HB HIS 66 -14.731 -2.593 5.490 522 HD2 HIS 66 HD2 HIS 66 -11.245 -4.114 5.755 523 HE1 HIS 66 HE1 HIS 66 -13.528 -5.755 8.956 524 HE2 HIS 66 HE2 HIS 66 -11.347 -5.926 7.660 525 HA PRO 67 HA PRO 67 -9.199 -0.789 3.503 526 HB2 PRO 67 2HB PRO 67 -9.265 1.504 1.884 527 HB3 PRO 67 3HB PRO 67 -9.318 -0.167 1.261 528 HG2 PRO 67 2HG PRO 67 -11.653 1.663 1.856 529 HG3 PRO 67 3HG PRO 67 -11.358 0.687 0.378 530 HD2 PRO 67 2HD PRO 67 -13.016 -0.179 2.295 531 HD3 PRO 67 3HD PRO 67 -11.875 -1.333 1.538 532 H ASP 68 H ASP 68 -11.624 1.615 4.414 533 HA ASP 68 HA ASP 68 -9.836 3.479 5.641 534 HB2 ASP 68 2HB ASP 68 -12.266 3.736 4.871 535 HB3 ASP 68 3HB ASP 68 -12.754 2.857 6.311 536 H VAL 69 H VAL 69 -10.861 0.342 6.598 537 HA VAL 69 HA VAL 69 -10.320 0.759 9.476 538 HB VAL 69 HB VAL 69 -11.465 -1.671 8.048 539 HG11 VAL 69 1HG1 VAL 69 -12.257 -2.321 10.295 540 HG12 VAL 69 2HG1 VAL 69 -10.498 -2.267 10.211 541 HG13 VAL 69 3HG1 VAL 69 -11.385 -0.941 11.001 542 HG21 VAL 69 3HG2 VAL 69 -13.008 0.227 7.798 543 HG22 VAL 69 1HG2 VAL 69 -13.653 -0.943 8.949 544 HG23 VAL 69 2HG2 VAL 69 -12.906 0.561 9.542 545 H GLU 70 H GLU 70 -9.211 -1.072 6.647 546 HA GLU 70 HA GLU 70 -7.150 -2.441 8.330 547 HB2 GLU 70 2HB GLU 70 -8.507 -3.153 5.718 548 HB3 GLU 70 3HB GLU 70 -7.056 -3.988 6.258 549 HG2 GLU 70 2HG GLU 70 -9.616 -3.793 7.875 550 HG3 GLU 70 3HG GLU 70 -9.149 -5.165 6.864 551 H VAL 71 H VAL 71 -7.229 -0.186 5.630 552 HA VAL 71 HA VAL 71 -4.305 -0.478 5.112 553 HB VAL 71 HB VAL 71 -6.163 1.623 4.031 554 HG11 VAL 71 1HG1 VAL 71 -3.456 0.477 3.203 555 HG12 VAL 71 2HG1 VAL 71 -4.355 1.808 2.429 556 HG13 VAL 71 3HG1 VAL 71 -3.687 2.005 4.073 557 HG21 VAL 71 3HG2 VAL 71 -6.109 0.175 1.978 558 HG22 VAL 71 1HG2 VAL 71 -5.293 -1.097 2.925 559 HG23 VAL 71 2HG2 VAL 71 -6.951 -0.625 3.312 560 H ASP 72 H ASP 72 -3.285 -0.144 6.931 561 HA ASP 72 HA ASP 72 -3.479 2.139 8.657 562 HB2 ASP 72 2HB ASP 72 -2.324 -0.043 9.127 563 HB3 ASP 72 3HB ASP 72 -1.095 0.385 7.932 564 H GLY 73 H GLY 73 -2.352 4.123 8.588 565 HA2 GLY 73 2HA GLY 73 -1.001 5.837 7.785 566 HA3 GLY 73 3HA GLY 73 -0.387 4.759 6.532 567 H PHE 74 H PHE 74 -3.511 4.413 5.938 568 HA PHE 74 HA PHE 74 -3.952 6.209 3.786 569 HB2 PHE 74 2HB PHE 74 -5.177 4.111 4.247 570 HB3 PHE 74 3HB PHE 74 -5.823 4.784 5.736 571 HD1 PHE 74 HD2 PHE 74 -7.656 6.400 5.734 572 HD2 PHE 74 HD1 PHE 74 -6.123 4.718 2.069 573 HE1 PHE 74 HE2 PHE 74 -9.690 7.159 4.539 574 HE2 PHE 74 HE1 PHE 74 -8.176 5.454 0.883 575 HZ PHE 74 HZ PHE 74 -9.948 6.689 2.112 576 H SER 75 H SER 75 -4.289 6.753 7.249 577 HA SER 75 HA SER 75 -5.843 9.162 7.256 578 HB2 SER 75 2HB SER 75 -4.614 9.487 9.466 579 HB3 SER 75 3HB SER 75 -5.550 7.988 9.295 580 HG SER 75 HG SER 75 -3.405 7.674 10.164 581 H GLU 76 H GLU 76 -2.480 8.571 6.370 582 HA GLU 76 HA GLU 76 -1.727 11.409 6.646 583 HB2 GLU 76 2HB GLU 76 -0.110 9.074 5.554 584 HB3 GLU 76 3HB GLU 76 0.483 10.677 5.982 585 HG2 GLU 76 2HG GLU 76 -0.245 10.251 8.366 586 HG3 GLU 76 3HG GLU 76 -0.626 8.586 7.907 587 H LEU 77 H LEU 77 -3.105 9.431 4.194 588 HA LEU 77 HA LEU 77 -2.026 10.769 1.850 589 HB2 LEU 77 2HB LEU 77 -4.291 8.846 2.391 590 HB3 LEU 77 3HB LEU 77 -4.230 9.707 0.868 591 HG LEU 77 HG LEU 77 -2.171 8.731 0.226 592 HD11 LEU 77 1HD1 LEU 77 -2.057 7.356 2.927 593 HD12 LEU 77 2HD1 LEU 77 -1.027 6.982 1.523 594 HD13 LEU 77 3HD1 LEU 77 -0.920 8.566 2.296 595 HD21 LEU 77 3HD2 LEU 77 -2.878 6.396 0.057 596 HD22 LEU 77 1HD2 LEU 77 -4.024 6.625 1.400 597 HD23 LEU 77 2HD2 LEU 77 -4.267 7.472 -0.135 598 H ARG 78 H ARG 78 -2.986 12.276 0.524 599 HA ARG 78 HA ARG 78 -5.017 14.091 1.659 600 HB2 ARG 78 2HB ARG 78 -3.495 13.999 -0.990 601 HB3 ARG 78 3HB ARG 78 -4.798 15.147 -0.714 602 HG2 ARG 78 2HG ARG 78 -2.271 14.963 0.979 603 HG3 ARG 78 3HG ARG 78 -2.592 16.147 -0.295 604 HD2 ARG 78 2HD ARG 78 -4.634 16.899 0.968 605 HD3 ARG 78 3HD ARG 78 -4.196 15.842 2.295 606 HE ARG 78 HE ARG 78 -2.961 18.394 1.579 607 HH11 ARG 78 1HH2 ARG 78 -2.359 15.438 3.379 608 HH12 ARG 78 2HH2 ARG 78 -1.152 16.196 4.379 609 HH21 ARG 78 1HH1 ARG 78 -1.413 19.281 2.890 610 HH22 ARG 78 2HH1 ARG 78 -0.636 18.310 4.105 611 H TRP 79 H TRP 79 -6.897 14.703 0.482 612 HA TRP 79 HA TRP 79 -8.677 12.617 0.470 613 HB2 TRP 79 2HB TRP 79 -9.865 14.480 0.742 614 HB3 TRP 79 3HB TRP 79 -8.741 15.464 -0.168 615 HD1 TRP 79 HD1 TRP 79 -11.985 13.518 -0.612 616 HE1 TRP 79 HE1 TRP 79 -13.022 14.093 -2.893 617 HE3 TRP 79 HE3 TRP 79 -8.130 16.227 -2.570 618 HZ2 TRP 79 HZ2 TRP 79 -12.286 15.608 -5.253 619 HZ3 TRP 79 HZ3 TRP 79 -8.291 17.201 -4.852 620 HH2 TRP 79 HH2 TRP 79 -10.364 16.901 -6.201 621 H ASP 80 H ASP 80 -6.983 13.898 -2.394 622 HA ASP 80 HA ASP 80 -8.508 12.411 -4.289 623 HB2 ASP 80 2HB ASP 80 -7.215 14.480 -4.783 624 HB3 ASP 80 3HB ASP 80 -5.724 13.541 -4.644 625 H ASP 81 H ASP 81 -5.740 11.453 -2.338 626 HA ASP 81 HA ASP 81 -5.229 9.026 -3.953 627 HB2 ASP 81 2HB ASP 81 -3.868 10.189 -1.505 628 HB3 ASP 81 3HB ASP 81 -3.522 8.583 -2.153 629 H GLN 82 H GLN 82 -6.645 10.081 -0.829 630 HA GLN 82 HA GLN 82 -7.366 7.514 0.148 631 HB2 GLN 82 2HB GLN 82 -8.593 10.277 0.450 632 HB3 GLN 82 3HB GLN 82 -9.304 8.860 1.220 633 HG2 GLN 82 2HG GLN 82 -7.185 8.381 2.376 634 HG3 GLN 82 3HG GLN 82 -6.449 9.811 1.648 635 HE21 GLN 82 2HE2 GLN 82 -6.520 9.498 4.434 636 HE22 GLN 82 1HE2 GLN 82 -7.610 10.727 5.082 637 H GLN 83 H GLN 83 -9.334 9.744 -1.945 638 HA GLN 83 HA GLN 83 -11.424 7.819 -2.264 639 HB2 GLN 83 2HB GLN 83 -12.394 9.260 -3.844 640 HB3 GLN 83 3HB GLN 83 -11.660 10.270 -2.599 641 HG2 GLN 83 2HG GLN 83 -9.703 10.627 -4.150 642 HG3 GLN 83 3HG GLN 83 -10.565 9.745 -5.404 643 HE21 GLN 83 2HE2 GLN 83 -9.813 12.353 -6.061 644 HE22 GLN 83 1HE2 GLN 83 -11.240 13.368 -5.980 645 H LYS 84 H LYS 84 -8.331 8.062 -3.944 646 HA LYS 84 HA LYS 84 -9.107 6.387 -6.208 647 HB2 LYS 84 2HB LYS 84 -7.561 8.193 -6.512 648 HB3 LYS 84 3HB LYS 84 -6.543 7.650 -5.185 649 HG2 LYS 84 2HG LYS 84 -6.954 5.841 -7.562 650 HG3 LYS 84 3HG LYS 84 -5.898 7.239 -7.721 651 HD2 LYS 84 2HD LYS 84 -5.613 5.050 -5.641 652 HD3 LYS 84 3HD LYS 84 -4.652 5.209 -7.119 653 HE2 LYS 84 2HE LYS 84 -4.654 7.045 -4.691 654 HE3 LYS 84 3HE LYS 84 -3.388 5.916 -5.152 655 HZ1 LYS 84 3HZ LYS 84 -2.979 8.290 -5.761 656 HZ2 LYS 84 1HZ LYS 84 -2.862 7.261 -7.047 657 HZ3 LYS 84 2HZ LYS 84 -4.179 8.218 -6.852 658 H VAL 85 H VAL 85 -7.337 6.033 -3.101 659 HA VAL 85 HA VAL 85 -6.769 3.201 -3.508 660 HB VAL 85 HB VAL 85 -6.943 4.935 -1.008 661 HG11 VAL 85 1HG1 VAL 85 -5.801 3.079 0.227 662 HG12 VAL 85 2HG1 VAL 85 -7.461 2.687 -0.205 663 HG13 VAL 85 3HG1 VAL 85 -6.111 2.000 -1.145 664 HG21 VAL 85 3HG2 VAL 85 -4.505 3.568 -2.200 665 HG22 VAL 85 1HG2 VAL 85 -4.985 5.221 -2.634 666 HG23 VAL 85 2HG2 VAL 85 -4.566 4.831 -0.961 667 H LYS 86 H LYS 86 -9.464 4.892 -1.806 668 HA LYS 86 HA LYS 86 -10.949 2.517 -1.189 669 HB2 LYS 86 2HB LYS 86 -11.821 5.405 -1.638 670 HB3 LYS 86 3HB LYS 86 -12.933 4.105 -1.184 671 HG2 LYS 86 2HG LYS 86 -11.490 3.608 0.804 672 HG3 LYS 86 3HG LYS 86 -10.518 5.035 0.438 673 HD2 LYS 86 2HD LYS 86 -12.368 6.511 0.840 674 HD3 LYS 86 3HD LYS 86 -13.534 5.164 0.884 675 HE2 LYS 86 2HE LYS 86 -12.688 4.297 2.911 676 HE3 LYS 86 3HE LYS 86 -11.222 5.259 2.832 677 HZ1 LYS 86 3HZ LYS 86 -12.661 6.254 4.422 678 HZ2 LYS 86 1HZ LYS 86 -12.655 7.266 3.142 679 HZ3 LYS 86 2HZ LYS 86 -13.947 6.292 3.394 680 H LYS 87 H LYS 87 -11.146 4.625 -4.098 681 HA LYS 87 HA LYS 87 -13.145 3.042 -5.427 682 HB2 LYS 87 2HB LYS 87 -12.654 5.334 -6.033 683 HB3 LYS 87 3HB LYS 87 -11.049 4.872 -6.641 684 HG2 LYS 87 2HG LYS 87 -12.023 3.554 -8.420 685 HG3 LYS 87 3HG LYS 87 -13.643 3.653 -7.693 686 HD2 LYS 87 2HD LYS 87 -13.703 6.060 -8.053 687 HD3 LYS 87 3HD LYS 87 -12.061 6.030 -8.742 688 HE2 LYS 87 2HE LYS 87 -12.861 4.519 -10.555 689 HE3 LYS 87 3HE LYS 87 -14.490 4.554 -9.868 690 HZ1 LYS 87 3HZ LYS 87 -14.265 6.145 -11.688 691 HZ2 LYS 87 1HZ LYS 87 -14.551 6.954 -10.302 692 HZ3 LYS 87 2HZ LYS 87 -13.044 6.923 -10.937 693 H THR 88 H THR 88 -9.562 2.843 -5.607 694 HA THR 88 HA THR 88 -9.467 0.773 -7.522 695 HB THR 88 HB THR 88 -7.420 1.400 -5.380 696 HG1 THR 88 1HG THR 88 -7.770 3.156 -6.666 697 HG21 THR 88 1HG2 THR 88 -7.281 -0.059 -8.047 698 HG22 THR 88 2HG2 THR 88 -5.871 0.446 -7.081 699 HG23 THR 88 3HG2 THR 88 -6.995 -0.766 -6.444 700 H ALA 89 H ALA 89 -9.848 0.579 -3.974 701 HA ALA 89 HA ALA 89 -9.558 -2.292 -3.810 702 HB1 ALA 89 1HB ALA 89 -10.506 -1.926 -1.560 703 HB2 ALA 89 2HB ALA 89 -9.149 -0.834 -1.912 704 HB3 ALA 89 3HB ALA 89 -10.819 -0.224 -1.966 705 H GLU 90 H GLU 90 -12.340 -0.033 -4.207 706 HA GLU 90 HA GLU 90 -14.331 -2.113 -4.272 707 HB2 GLU 90 2HB GLU 90 -14.354 0.728 -5.369 708 HB3 GLU 90 3HB GLU 90 -15.746 -0.357 -5.412 709 HG2 GLU 90 2HG GLU 90 -15.650 -0.567 -2.930 710 HG3 GLU 90 3HG GLU 90 -14.340 0.611 -2.895 711 H ALA 91 H ALA 91 -12.342 -0.625 -6.772 712 HA ALA 91 HA ALA 91 -13.587 -1.904 -9.025 713 HB1 ALA 91 1HB ALA 91 -10.921 -0.462 -8.655 714 HB2 ALA 91 2HB ALA 91 -11.670 -0.854 -10.221 715 HB3 ALA 91 3HB ALA 91 -12.460 0.284 -9.111 716 H GLY 92 H GLY 92 -11.430 -3.182 -6.696 717 HA2 GLY 92 2HA GLY 92 -10.459 -5.268 -6.538 718 HA3 GLY 92 3HA GLY 92 -11.080 -5.685 -8.137 719 H GLY 93 H GLY 93 -9.034 -2.832 -7.617 720 HA2 GLY 93 2HA GLY 93 -6.677 -2.710 -7.770 721 HA3 GLY 93 3HA GLY 93 -6.622 -4.221 -8.668 722 H VAL 94 H VAL 94 -5.490 -1.563 -9.170 723 HA VAL 94 HA VAL 94 -6.565 -1.030 -11.917 724 HB VAL 94 HB VAL 94 -6.933 0.751 -10.201 725 HG11 VAL 94 1HG1 VAL 94 -5.149 2.182 -9.478 726 HG12 VAL 94 2HG1 VAL 94 -4.682 0.532 -9.045 727 HG13 VAL 94 3HG1 VAL 94 -3.948 1.314 -10.455 728 HG21 VAL 94 3HG2 VAL 94 -6.960 1.233 -12.616 729 HG22 VAL 94 1HG2 VAL 94 -6.385 2.603 -11.651 730 HG23 VAL 94 2HG2 VAL 94 -5.224 1.614 -12.558 731 H THR 95 H THR 95 -3.602 -1.598 -10.120 732 HA THR 95 HA THR 95 -1.459 -1.969 -10.727 733 HB THR 95 HB THR 95 -1.000 -3.451 -12.447 734 HG1 THR 95 1HG THR 95 -3.343 -2.467 -13.663 735 HG21 THR 95 1HG2 THR 95 -3.907 -3.996 -11.721 736 HG22 THR 95 2HG2 THR 95 -2.675 -5.175 -12.221 737 HG23 THR 95 3HG2 THR 95 -2.513 -4.331 -10.670 738 H GLY 96 H GLY 96 -0.436 -1.774 -13.629 739 HA2 GLY 96 2HA GLY 96 0.233 0.048 -15.029 740 HA3 GLY 96 3HA GLY 96 -0.083 1.189 -13.729 741 H LYS 97 H LYS 97 2.201 1.524 -15.015 742 HA LYS 97 HA LYS 97 4.370 0.703 -13.140 743 HB2 LYS 97 2HB LYS 97 4.471 0.405 -16.178 744 HB3 LYS 97 3HB LYS 97 5.860 0.251 -15.100 745 HG2 LYS 97 2HG LYS 97 4.773 -1.685 -13.972 746 HG3 LYS 97 3HG LYS 97 3.420 -1.574 -15.119 747 HD2 LYS 97 2HD LYS 97 4.992 -1.917 -17.010 748 HD3 LYS 97 3HD LYS 97 6.340 -2.059 -15.861 749 HE2 LYS 97 2HE LYS 97 5.237 -4.020 -14.809 750 HE3 LYS 97 3HE LYS 97 3.885 -3.873 -15.941 751 HZ1 LYS 97 3HZ LYS 97 5.452 -4.301 -17.761 752 HZ2 LYS 97 1HZ LYS 97 6.700 -4.436 -16.716 753 HZ3 LYS 97 2HZ LYS 97 5.493 -5.532 -16.693 754 H GLY 98 H GLY 98 6.214 2.035 -13.171 755 HA2 GLY 98 2HA GLY 98 7.114 3.897 -14.884 756 HA3 GLY 98 3HA GLY 98 5.861 4.833 -14.076 757 H GLN 99 H GLN 99 9.099 4.079 -14.026 758 HA GLN 99 HA GLN 99 9.539 5.595 -11.582 759 HB2 GLN 99 2HB GLN 99 9.308 3.398 -10.593 760 HB3 GLN 99 3HB GLN 99 10.425 2.679 -11.758 761 HG2 GLN 99 2HG GLN 99 12.313 3.842 -10.815 762 HG3 GLN 99 3HG GLN 99 11.275 4.871 -9.821 763 HE21 GLN 99 2HE2 GLN 99 13.512 3.129 -8.953 764 HE22 GLN 99 1HE2 GLN 99 12.738 2.124 -7.706 765 H ASP 100 H ASP 100 11.565 6.532 -11.491 766 HA ASP 100 HA ASP 100 13.702 5.644 -13.328 767 HB2 ASP 100 2HB ASP 100 12.737 7.643 -14.392 768 HB3 ASP 100 3HB ASP 100 12.912 8.549 -12.886 769 H GLY 101 H GLY 101 15.733 5.635 -12.360 770 HA2 GLY 101 2HA GLY 101 17.305 5.695 -10.646 771 HA3 GLY 101 3HA GLY 101 16.250 6.736 -9.694 772 H ILE 102 H ILE 102 17.318 5.122 -8.109 773 HA ILE 102 HA ILE 102 15.578 2.738 -7.723 774 HB ILE 102 HB ILE 102 17.793 2.267 -8.755 775 HG12 ILE 102 2HG1 ILE 102 18.403 0.324 -7.489 776 HG13 ILE 102 3HG1 ILE 102 17.556 0.883 -6.056 777 HG21 ILE 102 1HG2 ILE 102 18.964 3.019 -6.041 778 HG22 ILE 102 2HG2 ILE 102 19.836 2.308 -7.412 779 HG23 ILE 102 3HG2 ILE 102 19.164 3.935 -7.552 780 HD11 ILE 102 3HD1 ILE 102 15.391 0.626 -7.194 781 HD12 ILE 102 1HD1 ILE 102 16.219 0.222 -8.718 782 HD13 ILE 102 2HD1 ILE 102 16.325 -0.873 -7.324 783 H GLY 103 H GLY 103 15.484 5.452 -6.512 784 HA2 GLY 103 2HA GLY 103 14.699 6.243 -4.492 785 HA3 GLY 103 3HA GLY 103 14.643 4.565 -3.923 786 H SER 104 H SER 104 15.662 4.469 -2.041 787 HA SER 104 HA SER 104 18.253 5.896 -1.600 788 HB2 SER 104 2HB SER 104 16.191 5.429 0.560 789 HB3 SER 104 3HB SER 104 17.625 6.452 0.619 790 HG SER 104 HG SER 104 16.627 7.833 -0.908 791 H LYS 105 H LYS 105 18.008 3.274 -2.624 792 HA LYS 105 HA LYS 105 17.952 1.134 -0.884 793 HB2 LYS 105 2HB LYS 105 18.024 1.134 -3.389 794 HB3 LYS 105 3HB LYS 105 19.773 1.397 -3.316 795 HG2 LYS 105 2HG LYS 105 20.086 -0.774 -2.218 796 HG3 LYS 105 3HG LYS 105 18.347 -0.958 -2.006 797 HD2 LYS 105 2HD LYS 105 19.024 -2.362 -3.855 798 HD3 LYS 105 3HD LYS 105 18.007 -1.058 -4.439 799 HE2 LYS 105 2HE LYS 105 19.718 -1.290 -6.047 800 HE3 LYS 105 3HE LYS 105 20.106 0.183 -5.155 801 HZ1 LYS 105 3HZ LYS 105 21.362 -2.481 -4.714 802 HZ2 LYS 105 1HZ LYS 105 22.091 -1.201 -5.437 803 HZ3 LYS 105 2HZ LYS 105 21.719 -1.116 -3.868 804 H ALA 106 H ALA 106 19.246 0.110 0.521 805 HA ALA 106 HA ALA 106 20.981 1.783 1.957 806 HB1 ALA 106 1HB ALA 106 20.483 -1.211 2.258 807 HB2 ALA 106 2HB ALA 106 21.148 -0.131 3.502 808 HB3 ALA 106 3HB ALA 106 19.482 0.094 2.942 809 H GLU 107 H GLU 107 21.834 -0.587 -0.437 810 HA GLU 107 HA GLU 107 24.686 0.229 -0.231 811 HB2 GLU 107 2HB GLU 107 23.700 -2.603 -0.791 812 HB3 GLU 107 3HB GLU 107 25.355 -2.031 -1.029 813 HG2 GLU 107 2HG GLU 107 25.502 -1.475 1.401 814 HG3 GLU 107 3HG GLU 107 23.884 -2.144 1.640 815 H LYS 108 H LYS 108 25.750 0.218 -2.354 816 HA LYS 108 HA LYS 108 23.884 1.117 -4.452 817 HB2 LYS 108 2HB LYS 108 26.923 1.136 -4.381 818 HB3 LYS 108 3HB LYS 108 25.910 1.894 -5.604 819 HG2 LYS 108 2HG LYS 108 26.063 2.666 -2.658 820 HG3 LYS 108 3HG LYS 108 26.756 3.543 -4.021 821 HD2 LYS 108 2HD LYS 108 24.449 3.887 -4.943 822 HD3 LYS 108 3HD LYS 108 23.772 3.145 -3.488 823 HE2 LYS 108 2HE LYS 108 25.557 5.618 -3.518 824 HE3 LYS 108 3HE LYS 108 23.794 5.657 -3.488 825 HZ1 LYS 108 3HZ LYS 108 25.499 4.471 -1.365 826 HZ2 LYS 108 1HZ LYS 108 24.679 5.875 -1.259 827 HZ3 LYS 108 2HZ LYS 108 23.861 4.467 -1.359 Start of MODEL 8 1 H1 MET 1 H1 MET 1 11.918 5.745 16.512 2 H2 MET 1 H2 MET 1 11.809 5.160 18.034 3 H3 MET 1 H3 MET 1 11.621 6.765 17.761 4 HA MET 1 HA MET 1 9.490 5.703 18.180 5 HB2 MET 1 2HB MET 1 9.903 6.785 15.357 6 HB3 MET 1 3HB MET 1 8.327 6.384 16.029 7 HG2 MET 1 2HG MET 1 8.590 8.707 16.279 8 HG3 MET 1 3HG MET 1 8.691 7.994 17.883 9 HE1 MET 1 1HE MET 1 9.550 10.307 18.829 10 HE2 MET 1 2HE MET 1 10.923 11.208 18.151 11 HE3 MET 1 3HE MET 1 9.436 11.008 17.198 12 H ALA 2 H ALA 2 7.844 4.229 17.482 13 HA ALA 2 HA ALA 2 8.559 2.104 15.562 14 HB1 ALA 2 1HB ALA 2 7.925 1.562 18.501 15 HB2 ALA 2 2HB ALA 2 8.131 0.333 17.234 16 HB3 ALA 2 3HB ALA 2 9.508 1.336 17.720 17 H GLU 3 H GLU 3 6.712 0.621 15.184 18 HA GLU 3 HA GLU 3 4.009 1.756 15.751 19 HB2 GLU 3 2HB GLU 3 5.044 0.921 13.008 20 HB3 GLU 3 3HB GLU 3 3.360 1.269 13.412 21 HG2 GLU 3 2HG GLU 3 4.049 3.601 14.077 22 HG3 GLU 3 3HG GLU 3 5.677 3.247 13.480 23 H SER 4 H SER 4 2.336 0.311 15.822 24 HA SER 4 HA SER 4 2.962 -2.481 16.391 25 HB2 SER 4 2HB SER 4 0.331 -0.970 16.274 26 HB3 SER 4 3HB SER 4 0.533 -2.638 16.857 27 HG SER 4 HG SER 4 0.561 -1.098 18.572 28 H SER 5 H SER 5 2.062 -4.302 15.361 29 HA SER 5 HA SER 5 1.415 -3.964 12.460 30 HB2 SER 5 2HB SER 5 2.987 -6.237 13.704 31 HB3 SER 5 3HB SER 5 2.702 -5.934 11.980 32 HG SER 5 HG SER 5 4.769 -5.278 12.691 33 H ASP 6 H ASP 6 -0.577 -3.980 14.360 34 HA ASP 6 HA ASP 6 -1.761 -6.612 14.388 35 HB2 ASP 6 2HB ASP 6 -3.442 -5.569 15.832 36 HB3 ASP 6 3HB ASP 6 -1.814 -5.168 16.356 37 H LYS 7 H LYS 7 -1.556 -4.796 11.821 38 HA LYS 7 HA LYS 7 -4.366 -4.921 10.827 39 HB2 LYS 7 2HB LYS 7 -2.083 -3.450 9.540 40 HB3 LYS 7 3HB LYS 7 -3.817 -3.265 9.311 41 HG2 LYS 7 2HG LYS 7 -3.639 -1.489 10.696 42 HG3 LYS 7 3HG LYS 7 -3.650 -2.656 11.994 43 HD2 LYS 7 2HD LYS 7 -1.144 -2.753 11.918 44 HD3 LYS 7 3HD LYS 7 -1.158 -1.572 10.605 45 HE2 LYS 7 2HE LYS 7 -2.486 -0.056 12.262 46 HE3 LYS 7 3HE LYS 7 -1.949 -1.191 13.514 47 HZ1 LYS 7 3HZ LYS 7 0.352 -0.695 12.863 48 HZ2 LYS 7 1HZ LYS 7 -0.158 0.344 11.693 49 HZ3 LYS 7 2HZ LYS 7 -0.426 0.694 13.267 50 H LEU 8 H LEU 8 -4.112 -5.170 8.324 51 HA LEU 8 HA LEU 8 -2.280 -7.445 7.698 52 HB2 LEU 8 2HB LEU 8 -3.913 -8.301 6.143 53 HB3 LEU 8 3HB LEU 8 -4.444 -8.404 7.808 54 HG LEU 8 HG LEU 8 -5.391 -6.149 5.999 55 HD11 LEU 8 1HD1 LEU 8 -6.658 -8.899 6.422 56 HD12 LEU 8 2HD1 LEU 8 -7.349 -7.553 5.489 57 HD13 LEU 8 3HD1 LEU 8 -5.874 -8.350 4.927 58 HD21 LEU 8 3HD2 LEU 8 -7.440 -6.310 7.462 59 HD22 LEU 8 1HD2 LEU 8 -6.550 -7.435 8.505 60 HD23 LEU 8 2HD2 LEU 8 -6.013 -5.752 8.314 61 H TYR 9 H TYR 9 -3.335 -4.227 6.854 62 HA TYR 9 HA TYR 9 -1.629 -4.300 4.430 63 HB2 TYR 9 2HB TYR 9 -4.381 -3.043 4.527 64 HB3 TYR 9 3HB TYR 9 -3.279 -3.044 3.160 65 HD1 TYR 9 HD1 TYR 9 -2.466 -5.932 3.093 66 HD2 TYR 9 HD2 TYR 9 -6.299 -4.072 3.636 67 HE1 TYR 9 HE1 TYR 9 -3.562 -7.970 2.194 68 HE2 TYR 9 HE2 TYR 9 -7.410 -6.102 2.726 69 HH TYR 9 HH TYR 9 -5.526 -8.961 1.629 70 H ARG 10 H ARG 10 -0.856 -2.307 3.787 71 HA ARG 10 HA ARG 10 -1.059 0.020 5.620 72 HB2 ARG 10 2HB ARG 10 0.807 -1.230 6.464 73 HB3 ARG 10 3HB ARG 10 1.381 -1.589 4.855 74 HG2 ARG 10 2HG ARG 10 2.884 -0.070 5.906 75 HG3 ARG 10 3HG ARG 10 2.130 0.746 4.546 76 HD2 ARG 10 2HD ARG 10 0.786 2.108 5.958 77 HD3 ARG 10 3HD ARG 10 0.970 1.026 7.347 78 HE ARG 10 HE ARG 10 3.184 2.764 6.260 79 HH11 ARG 10 1HH2 ARG 10 1.437 1.691 9.223 80 HH12 ARG 10 2HH2 ARG 10 2.564 2.634 10.161 81 HH21 ARG 10 1HH1 ARG 10 4.448 3.736 7.576 82 HH22 ARG 10 2HH1 ARG 10 4.313 3.533 9.346 83 H VAL 11 H VAL 11 -0.805 1.993 4.561 84 HA VAL 11 HA VAL 11 0.331 2.122 1.850 85 HB VAL 11 HB VAL 11 -2.179 1.850 1.698 86 HG11 VAL 11 1HG1 VAL 11 -2.288 4.786 2.525 87 HG12 VAL 11 2HG1 VAL 11 -3.638 3.733 2.071 88 HG13 VAL 11 3HG1 VAL 11 -2.750 3.467 3.588 89 HG21 VAL 11 3HG2 VAL 11 -1.087 4.470 0.551 90 HG22 VAL 11 1HG2 VAL 11 -0.717 2.894 -0.126 91 HG23 VAL 11 2HG2 VAL 11 -2.392 3.472 -0.127 92 H GLU 12 H GLU 12 1.442 4.048 1.465 93 HA GLU 12 HA GLU 12 0.928 6.442 3.017 94 HB2 GLU 12 2HB GLU 12 3.116 6.605 4.119 95 HB3 GLU 12 3HB GLU 12 2.199 5.254 4.755 96 HG2 GLU 12 2HG GLU 12 3.541 3.676 3.408 97 HG3 GLU 12 3HG GLU 12 4.431 5.026 2.689 98 H TYR 13 H TYR 13 2.249 8.229 2.532 99 HA TYR 13 HA TYR 13 3.649 8.245 -0.054 100 HB2 TYR 13 2HB TYR 13 3.459 10.320 2.155 101 HB3 TYR 13 3HB TYR 13 4.170 10.565 0.566 102 HD1 TYR 13 HD1 TYR 13 1.755 8.877 -0.838 103 HD2 TYR 13 HD2 TYR 13 1.994 12.230 1.874 104 HE1 TYR 13 HE1 TYR 13 -0.287 9.851 -1.855 105 HE2 TYR 13 HE2 TYR 13 -0.107 13.154 0.902 106 HH TYR 13 HH TYR 13 -1.673 11.673 -1.956 107 H ALA 14 H ALA 14 5.721 7.773 -0.308 108 HA ALA 14 HA ALA 14 7.115 6.453 1.739 109 HB1 ALA 14 1HB ALA 14 8.063 7.429 -0.985 110 HB2 ALA 14 2HB ALA 14 8.881 6.204 -0.001 111 HB3 ALA 14 3HB ALA 14 7.255 5.890 -0.649 112 H LYS 15 H LYS 15 8.170 7.233 3.418 113 HA LYS 15 HA LYS 15 9.000 9.943 3.771 114 HB2 LYS 15 2HB LYS 15 10.055 7.549 5.332 115 HB3 LYS 15 3HB LYS 15 9.942 9.223 5.864 116 HG2 LYS 15 2HG LYS 15 7.668 7.272 5.390 117 HG3 LYS 15 3HG LYS 15 8.217 7.924 6.931 118 HD2 LYS 15 2HD LYS 15 7.495 10.189 6.274 119 HD3 LYS 15 3HD LYS 15 6.948 9.597 4.699 120 HE2 LYS 15 2HE LYS 15 5.867 8.665 7.383 121 HE3 LYS 15 3HE LYS 15 5.119 9.876 6.332 122 HZ1 LYS 15 3HZ LYS 15 4.094 7.769 5.937 123 HZ2 LYS 15 1HZ LYS 15 4.974 8.151 4.595 124 HZ3 LYS 15 2HZ LYS 15 5.535 7.015 5.614 125 H SER 16 H SER 16 10.812 7.071 2.900 126 HA SER 16 HA SER 16 12.911 8.524 1.535 127 HB2 SER 16 2HB SER 16 13.697 8.620 3.911 128 HB3 SER 16 3HB SER 16 13.677 6.848 3.963 129 HG SER 16 HG SER 16 15.753 7.825 3.419 130 H GLY 17 H GLY 17 14.401 6.980 0.475 131 HA2 GLY 17 2HA GLY 17 12.924 4.807 -0.767 132 HA3 GLY 17 3HA GLY 17 14.540 5.373 -1.191 133 H ARG 18 H ARG 18 13.404 4.166 1.966 134 HA ARG 18 HA ARG 18 15.596 2.157 2.060 135 HB2 ARG 18 2HB ARG 18 13.584 3.007 4.185 136 HB3 ARG 18 3HB ARG 18 14.962 1.945 4.435 137 HG2 ARG 18 2HG ARG 18 15.041 4.907 3.744 138 HG3 ARG 18 3HG ARG 18 15.478 4.160 5.274 139 HD2 ARG 18 2HD ARG 18 16.944 3.876 2.624 140 HD3 ARG 18 3HD ARG 18 17.469 4.813 4.018 141 HE ARG 18 HE ARG 18 17.467 2.559 5.273 142 HH11 ARG 18 1HH2 ARG 18 18.393 2.789 1.895 143 HH12 ARG 18 2HH2 ARG 18 19.366 1.345 1.979 144 HH21 ARG 18 1HH1 ARG 18 18.728 0.744 5.301 145 HH22 ARG 18 2HH1 ARG 18 19.557 0.234 3.861 146 H ALA 19 H ALA 19 12.269 2.139 1.308 147 HA ALA 19 HA ALA 19 11.952 -0.758 1.856 148 HB1 ALA 19 1HB ALA 19 10.108 0.749 2.491 149 HB2 ALA 19 2HB ALA 19 9.978 1.303 0.802 150 HB3 ALA 19 3HB ALA 19 9.623 -0.381 1.215 151 H SER 20 H SER 20 11.564 -2.280 0.228 152 HA SER 20 HA SER 20 11.957 -1.443 -2.593 153 HB2 SER 20 2HB SER 20 13.429 -3.700 -1.201 154 HB3 SER 20 3HB SER 20 13.341 -3.497 -2.962 155 HG SER 20 HG SER 20 15.230 -2.535 -1.971 156 H CYS 21 HN CYS 21 11.097 -2.832 -4.167 157 HA CYS 21 HA CYS 21 8.440 -3.619 -3.280 158 HB2 CYS 21 2HB CYS 21 8.923 -2.141 -5.198 159 HB3 CYS 21 3HB CYS 21 9.718 -3.493 -6.025 160 H LYS 22 H LYS 22 7.928 -5.601 -2.688 161 HA LYS 22 HA LYS 22 9.637 -7.904 -3.139 162 HB2 LYS 22 2HB LYS 22 6.784 -7.809 -2.109 163 HB3 LYS 22 3HB LYS 22 7.900 -9.136 -1.878 164 HG2 LYS 22 2HG LYS 22 8.231 -6.320 -0.763 165 HG3 LYS 22 3HG LYS 22 7.561 -7.663 0.125 166 HD2 LYS 22 2HD LYS 22 10.396 -7.521 -0.981 167 HD3 LYS 22 3HD LYS 22 9.924 -7.183 0.694 168 HE2 LYS 22 2HE LYS 22 9.043 -9.504 0.918 169 HE3 LYS 22 3HE LYS 22 9.574 -9.860 -0.730 170 HZ1 LYS 22 3HZ LYS 22 11.865 -9.414 -0.020 171 HZ2 LYS 22 1HZ LYS 22 11.374 -9.093 1.507 172 HZ3 LYS 22 2HZ LYS 22 11.214 -10.596 0.896 173 H LYS 23 H LYS 23 7.275 -6.552 -5.128 174 HA LYS 23 HA LYS 23 6.484 -9.162 -6.339 175 HB2 LYS 23 2HB LYS 23 4.680 -7.752 -5.508 176 HB3 LYS 23 3HB LYS 23 5.219 -6.419 -6.527 177 HG2 LYS 23 2HG LYS 23 3.247 -7.537 -7.454 178 HG3 LYS 23 3HG LYS 23 4.622 -7.662 -8.550 179 HD2 LYS 23 2HD LYS 23 5.015 -10.007 -7.803 180 HD3 LYS 23 3HD LYS 23 3.661 -9.869 -6.662 181 HE2 LYS 23 2HE LYS 23 2.125 -9.444 -8.545 182 HE3 LYS 23 3HE LYS 23 3.474 -9.511 -9.686 183 HZ1 LYS 23 3HZ LYS 23 3.801 -11.841 -9.080 184 HZ2 LYS 23 1HZ LYS 23 2.581 -11.791 -7.992 185 HZ3 LYS 23 2HZ LYS 23 2.264 -11.625 -9.582 186 H CYS 24 HN CYS 24 7.615 -5.935 -7.490 187 HA CYS 24 HA CYS 24 8.368 -7.262 -10.041 188 HB2 CYS 24 2HB CYS 24 8.234 -5.272 -11.162 189 HB3 CYS 24 3HB CYS 24 6.795 -5.345 -10.152 190 H SER 25 H SER 25 9.856 -6.669 -7.214 191 HA SER 25 HA SER 25 11.955 -6.745 -6.475 192 HB2 SER 25 2HB SER 25 12.661 -7.863 -9.197 193 HB3 SER 25 3HB SER 25 13.619 -8.002 -7.712 194 HG SER 25 HG SER 25 12.315 -9.860 -8.091 195 H GLU 26 H GLU 26 11.152 -4.234 -7.848 196 HA GLU 26 HA GLU 26 13.850 -2.989 -8.230 197 HB2 GLU 26 2HB GLU 26 11.063 -1.897 -8.755 198 HB3 GLU 26 3HB GLU 26 12.571 -0.994 -8.944 199 HG2 GLU 26 2HG GLU 26 13.351 -2.760 -10.571 200 HG3 GLU 26 3HG GLU 26 11.720 -3.439 -10.535 201 H SER 27 H SER 27 13.615 -0.542 -7.198 202 HA SER 27 HA SER 27 12.905 -0.942 -4.326 203 HB2 SER 27 2HB SER 27 15.323 -0.752 -4.804 204 HB3 SER 27 3HB SER 27 14.994 0.925 -5.357 205 HG SER 27 HG SER 27 14.633 -0.224 -2.779 206 H ILE 28 H ILE 28 12.035 0.826 -3.181 207 HA ILE 28 HA ILE 28 10.132 2.148 -4.998 208 HB ILE 28 HB ILE 28 9.970 1.789 -1.995 209 HG12 ILE 28 2HG1 ILE 28 8.501 0.256 -4.197 210 HG13 ILE 28 3HG1 ILE 28 9.908 -0.366 -3.343 211 HG21 ILE 28 1HG2 ILE 28 7.824 2.664 -3.991 212 HG22 ILE 28 2HG2 ILE 28 7.619 2.416 -2.250 213 HG23 ILE 28 3HG2 ILE 28 8.629 3.732 -2.824 214 HD11 ILE 28 3HD1 ILE 28 8.676 -0.185 -1.181 215 HD12 ILE 28 1HD1 ILE 28 7.207 0.217 -2.104 216 HD13 ILE 28 2HD1 ILE 28 8.001 -1.346 -2.336 217 HA PRO 29 HA PRO 29 12.482 5.896 -4.283 218 HB2 PRO 29 2HB PRO 29 11.109 7.671 -5.837 219 HB3 PRO 29 3HB PRO 29 12.132 6.364 -6.508 220 HG2 PRO 29 2HG PRO 29 9.130 6.362 -6.103 221 HG3 PRO 29 3HG PRO 29 10.043 5.886 -7.564 222 HD2 PRO 29 2HD PRO 29 9.145 4.065 -5.736 223 HD3 PRO 29 3HD PRO 29 10.697 3.840 -6.600 224 H LYS 30 H LYS 30 12.353 7.903 -3.280 225 HA LYS 30 HA LYS 30 10.517 8.220 -1.045 226 HB2 LYS 30 2HB LYS 30 12.911 8.827 -0.999 227 HB3 LYS 30 3HB LYS 30 12.652 10.019 -2.275 228 HG2 LYS 30 2HG LYS 30 11.258 11.379 -0.792 229 HG3 LYS 30 3HG LYS 30 11.359 10.146 0.483 230 HD2 LYS 30 2HD LYS 30 13.806 10.473 0.625 231 HD3 LYS 30 3HD LYS 30 13.744 11.622 -0.724 232 HE2 LYS 30 2HE LYS 30 12.329 13.140 0.601 233 HE3 LYS 30 3HE LYS 30 12.341 12.002 1.959 234 HZ1 LYS 30 3HZ LYS 30 14.817 13.185 0.810 235 HZ2 LYS 30 1HZ LYS 30 14.043 13.819 2.120 236 HZ3 LYS 30 2HZ LYS 30 14.713 12.327 2.174 237 H ASP 31 H ASP 31 9.005 9.863 -0.724 238 HA ASP 31 HA ASP 31 7.144 10.990 -1.256 239 HB2 ASP 31 2HB ASP 31 8.921 12.704 -1.522 240 HB3 ASP 31 3HB ASP 31 8.902 12.429 -3.263 241 H SER 32 H SER 32 7.131 8.521 -2.411 242 HA SER 32 HA SER 32 5.280 8.924 -4.696 243 HB2 SER 32 2HB SER 32 5.947 6.918 -5.730 244 HB3 SER 32 3HB SER 32 7.443 7.806 -5.420 245 HG SER 32 HG SER 32 7.943 6.395 -3.789 246 H LEU 33 H LEU 33 3.730 6.943 -4.783 247 HA LEU 33 HA LEU 33 2.715 6.545 -2.030 248 HB2 LEU 33 2HB LEU 33 1.188 7.501 -3.760 249 HB3 LEU 33 3HB LEU 33 1.386 6.027 -4.712 250 HG LEU 33 HG LEU 33 0.419 4.720 -2.780 251 HD11 LEU 33 1HD1 LEU 33 -0.210 7.499 -1.699 252 HD12 LEU 33 2HD1 LEU 33 -0.955 6.001 -1.131 253 HD13 LEU 33 3HD1 LEU 33 0.776 6.252 -0.906 254 HD21 LEU 33 3HD2 LEU 33 -1.355 6.950 -3.831 255 HD22 LEU 33 1HD2 LEU 33 -0.935 5.468 -4.730 256 HD23 LEU 33 2HD2 LEU 33 -1.889 5.356 -3.238 257 H ARG 34 H ARG 34 2.878 4.666 -1.029 258 HA ARG 34 HA ARG 34 3.507 2.168 -2.511 259 HB2 ARG 34 2HB ARG 34 5.324 1.613 -1.057 260 HB3 ARG 34 3HB ARG 34 5.623 3.177 -1.821 261 HG2 ARG 34 2HG ARG 34 5.058 4.348 0.270 262 HG3 ARG 34 3HG ARG 34 4.685 2.798 1.057 263 HD2 ARG 34 2HD ARG 34 7.018 2.050 0.704 264 HD3 ARG 34 3HD ARG 34 7.381 3.574 -0.124 265 HE ARG 34 HE ARG 34 6.353 3.862 2.620 266 HH11 ARG 34 1HH2 ARG 34 9.304 3.589 0.760 267 HH12 ARG 34 2HH2 ARG 34 10.257 4.402 1.965 268 HH21 ARG 34 1HH1 ARG 34 7.566 4.813 4.129 269 HH22 ARG 34 2HH1 ARG 34 9.317 4.788 3.987 270 H MET 35 H MET 35 3.115 0.270 -1.384 271 HA MET 35 HA MET 35 1.256 0.436 0.917 272 HB2 MET 35 2HB MET 35 0.869 -1.101 -1.670 273 HB3 MET 35 3HB MET 35 0.033 -1.546 -0.167 274 HG2 MET 35 2HG MET 35 -0.887 0.742 -0.027 275 HG3 MET 35 3HG MET 35 -0.139 1.128 -1.582 276 HE1 MET 35 3HE MET 35 -3.175 -0.184 0.316 277 HE2 MET 35 1HE MET 35 -3.984 -1.300 -0.802 278 HE3 MET 35 2HE MET 35 -2.443 -1.771 -0.031 279 H ALA 36 H ALA 36 1.066 -1.593 2.104 280 HA ALA 36 HA ALA 36 3.309 -3.447 1.788 281 HB1 ALA 36 1HB ALA 36 3.362 -2.829 4.575 282 HB2 ALA 36 2HB ALA 36 4.630 -2.604 3.368 283 HB3 ALA 36 3HB ALA 36 3.479 -1.299 3.683 284 H ILE 37 H ILE 37 3.151 -5.348 3.219 285 HA ILE 37 HA ILE 37 0.378 -5.881 4.203 286 HB ILE 37 HB ILE 37 1.979 -7.249 2.127 287 HG12 ILE 37 2HG1 ILE 37 -0.953 -7.483 2.899 288 HG13 ILE 37 3HG1 ILE 37 -0.308 -6.099 2.014 289 HG21 ILE 37 1HG2 ILE 37 0.561 -8.989 4.167 290 HG22 ILE 37 2HG2 ILE 37 1.238 -9.496 2.586 291 HG23 ILE 37 3HG2 ILE 37 2.319 -8.931 3.849 292 HD11 ILE 37 3HD1 ILE 37 -0.270 -8.971 1.031 293 HD12 ILE 37 1HD1 ILE 37 -1.321 -7.659 0.462 294 HD13 ILE 37 2HD1 ILE 37 0.427 -7.575 0.184 295 H MET 38 H MET 38 0.152 -6.951 6.057 296 HA MET 38 HA MET 38 2.610 -7.194 7.706 297 HB2 MET 38 2HB MET 38 -0.290 -7.389 8.541 298 HB3 MET 38 3HB MET 38 1.086 -7.211 9.619 299 HG2 MET 38 2HG MET 38 0.464 -5.043 7.589 300 HG3 MET 38 3HG MET 38 -0.493 -5.199 9.040 301 HE1 MET 38 3HE MET 38 3.088 -4.922 7.702 302 HE2 MET 38 1HE MET 38 4.008 -4.214 9.062 303 HE3 MET 38 2HE MET 38 3.484 -5.908 9.130 304 H VAL 39 H VAL 39 3.617 -9.076 7.334 305 HA VAL 39 HA VAL 39 1.997 -11.591 7.612 306 HB VAL 39 HB VAL 39 3.038 -11.471 5.462 307 HG11 VAL 39 1HG1 VAL 39 5.727 -11.435 6.900 308 HG12 VAL 39 2HG1 VAL 39 5.450 -11.607 5.155 309 HG13 VAL 39 3HG1 VAL 39 5.027 -10.091 5.968 310 HG21 VAL 39 3HG2 VAL 39 4.425 -13.595 7.117 311 HG22 VAL 39 1HG2 VAL 39 2.739 -13.672 6.540 312 HG23 VAL 39 2HG2 VAL 39 4.075 -13.622 5.383 313 H GLN 40 H GLN 40 2.562 -13.152 8.994 314 HA GLN 40 HA GLN 40 3.886 -12.368 11.425 315 HB2 GLN 40 2HB GLN 40 3.432 -14.842 11.997 316 HB3 GLN 40 3HB GLN 40 2.110 -13.712 11.799 317 HG2 GLN 40 2HG GLN 40 1.398 -15.707 10.783 318 HG3 GLN 40 3HG GLN 40 1.689 -14.580 9.470 319 HE21 GLN 40 2HE2 GLN 40 3.465 -17.182 11.325 320 HE22 GLN 40 1HE2 GLN 40 4.220 -17.837 9.879 321 H SER 41 H SER 41 5.919 -12.551 12.073 322 HA SER 41 HA SER 41 7.874 -13.543 10.125 323 HB2 SER 41 2HB SER 41 8.077 -11.296 11.089 324 HB3 SER 41 3HB SER 41 8.270 -12.021 12.695 325 HG SER 41 HG SER 41 10.022 -12.013 10.489 326 HA PRO 42 HA PRO 42 9.135 -16.963 12.687 327 HB2 PRO 42 2HB PRO 42 11.420 -17.124 10.740 328 HB3 PRO 42 3HB PRO 42 10.329 -18.426 11.300 329 HG2 PRO 42 2HG PRO 42 10.045 -17.331 8.821 330 HG3 PRO 42 3HG PRO 42 8.605 -17.734 9.816 331 HD2 PRO 42 2HD PRO 42 9.948 -15.029 9.484 332 HD3 PRO 42 3HD PRO 42 8.211 -15.458 9.391 333 H MET 43 H MET 43 10.845 -14.053 12.013 334 HA MET 43 HA MET 43 13.074 -14.680 13.914 335 HB2 MET 43 2HB MET 43 12.904 -12.836 11.529 336 HB3 MET 43 3HB MET 43 14.237 -12.796 12.679 337 HG2 MET 43 2HG MET 43 15.129 -14.785 12.024 338 HG3 MET 43 3HG MET 43 13.583 -15.504 11.598 339 HE1 MET 43 3HE MET 43 12.150 -13.784 9.649 340 HE2 MET 43 1HE MET 43 12.774 -14.344 8.077 341 HE3 MET 43 2HE MET 43 12.457 -15.509 9.387 342 H PHE 44 H PHE 44 10.441 -12.440 13.302 343 HA PHE 44 HA PHE 44 11.284 -10.687 15.567 344 HB2 PHE 44 2HB PHE 44 11.097 -9.515 13.469 345 HB3 PHE 44 3HB PHE 44 9.501 -10.174 13.174 346 HD1 PHE 44 HD2 PHE 44 11.383 -8.027 15.622 347 HD2 PHE 44 HD1 PHE 44 7.577 -8.983 13.829 348 HE1 PHE 44 HE2 PHE 44 10.338 -6.102 16.798 349 HE2 PHE 44 HE1 PHE 44 6.542 -7.050 14.992 350 HZ PHE 44 HZ PHE 44 7.918 -5.614 16.486 351 H ASP 45 H ASP 45 9.657 -9.913 16.991 352 HA ASP 45 HA ASP 45 7.994 -12.120 17.963 353 HB2 ASP 45 2HB ASP 45 9.617 -10.920 19.402 354 HB3 ASP 45 3HB ASP 45 8.661 -9.447 19.237 355 H GLY 46 H GLY 46 6.819 -11.386 15.724 356 HA2 GLY 46 2HA GLY 46 4.140 -10.929 16.047 357 HA3 GLY 46 3HA GLY 46 4.796 -9.287 16.043 358 H LYS 47 H LYS 47 3.971 -8.608 14.119 359 HA LYS 47 HA LYS 47 4.636 -10.166 11.666 360 HB2 LYS 47 2HB LYS 47 2.404 -8.135 11.877 361 HB3 LYS 47 3HB LYS 47 2.727 -9.292 10.591 362 HG2 LYS 47 2HG LYS 47 2.482 -10.994 12.745 363 HG3 LYS 47 3HG LYS 47 1.431 -9.683 13.265 364 HD2 LYS 47 2HD LYS 47 1.278 -11.366 10.753 365 HD3 LYS 47 3HD LYS 47 0.184 -11.434 12.129 366 HE2 LYS 47 2HE LYS 47 0.470 -9.159 10.122 367 HE3 LYS 47 3HE LYS 47 -0.824 -10.347 10.159 368 HZ1 LYS 47 3HZ LYS 47 -1.486 -9.439 12.344 369 HZ2 LYS 47 1HZ LYS 47 -0.315 -8.280 12.250 370 HZ3 LYS 47 2HZ LYS 47 -1.535 -8.288 11.174 371 H VAL 48 H VAL 48 5.243 -9.160 9.802 372 HA VAL 48 HA VAL 48 6.699 -6.577 10.157 373 HB VAL 48 HB VAL 48 8.535 -7.573 8.806 374 HG11 VAL 48 1HG1 VAL 48 8.655 -7.434 11.275 375 HG12 VAL 48 2HG1 VAL 48 7.915 -9.039 11.408 376 HG13 VAL 48 3HG1 VAL 48 9.512 -8.856 10.658 377 HG21 VAL 48 3HG2 VAL 48 7.124 -10.237 9.298 378 HG22 VAL 48 1HG2 VAL 48 7.317 -9.447 7.724 379 HG23 VAL 48 2HG2 VAL 48 8.741 -10.009 8.609 380 HA PRO 49 HA PRO 49 4.737 -5.496 6.400 381 HB2 PRO 49 2HB PRO 49 6.052 -3.240 5.630 382 HB3 PRO 49 3HB PRO 49 5.070 -3.322 7.120 383 HG2 PRO 49 2HG PRO 49 8.078 -3.639 6.852 384 HG3 PRO 49 3HG PRO 49 7.169 -2.635 8.025 385 HD2 PRO 49 2HD PRO 49 8.120 -5.138 8.633 386 HD3 PRO 49 3HD PRO 49 6.596 -4.499 9.320 387 H HIS 50 H HIS 50 4.733 -6.393 4.435 388 HA HIS 50 HA HIS 50 7.250 -6.581 2.810 389 HB2 HIS 50 2HB HIS 50 4.556 -7.978 2.704 390 HB3 HIS 50 3HB HIS 50 5.603 -7.904 1.294 391 HD2 HIS 50 HD2 HIS 50 6.948 -8.413 4.870 392 HE1 HIS 50 HE1 HIS 50 7.633 -12.052 2.760 393 HE2 HIS 50 HE2 HIS 50 8.120 -10.786 4.914 394 H TRP 51 H TRP 51 7.631 -4.671 1.890 395 HA TRP 51 HA TRP 51 5.478 -2.834 1.214 396 HB2 TRP 51 2HB TRP 51 8.478 -2.665 0.798 397 HB3 TRP 51 3HB TRP 51 7.323 -1.370 0.510 398 HD1 TRP 51 HD1 TRP 51 9.267 -3.034 3.260 399 HE1 TRP 51 HE1 TRP 51 8.900 -1.804 5.479 400 HE3 TRP 51 HE3 TRP 51 5.435 0.066 1.843 401 HZ2 TRP 51 HZ2 TRP 51 7.073 0.149 6.553 402 HZ3 TRP 51 HZ3 TRP 51 4.354 1.557 3.524 403 HH2 TRP 51 HH2 TRP 51 5.175 1.605 5.868 404 H TYR 52 H TYR 52 4.869 -2.150 -0.816 405 HA TYR 52 HA TYR 52 6.333 -3.001 -3.198 406 HB2 TYR 52 2HB TYR 52 3.448 -3.445 -3.573 407 HB3 TYR 52 3HB TYR 52 4.866 -4.312 -4.165 408 HD1 TYR 52 HD2 TYR 52 2.800 -3.996 -1.007 409 HD2 TYR 52 HD1 TYR 52 5.221 -6.472 -3.566 410 HE1 TYR 52 HE2 TYR 52 2.148 -6.036 0.316 411 HE2 TYR 52 HE1 TYR 52 4.552 -8.484 -2.262 412 HH TYR 52 HH TYR 52 3.381 -9.288 -0.492 413 H HIS 53 H HIS 53 5.617 -1.783 -5.119 414 HA HIS 53 HA HIS 53 4.889 0.986 -4.678 415 HB2 HIS 53 2HB HIS 53 4.519 -0.677 -7.201 416 HB3 HIS 53 3HB HIS 53 4.462 1.060 -7.100 417 HD2 HIS 53 HD2 HIS 53 6.783 2.375 -6.456 418 HE1 HIS 53 HE1 HIS 53 9.320 -0.616 -8.114 419 HE2 HIS 53 HE2 HIS 53 9.188 1.803 -7.368 420 H PHE 54 H PHE 54 2.827 2.058 -5.288 421 HA PHE 54 HA PHE 54 0.543 1.023 -4.100 422 HB2 PHE 54 2HB PHE 54 0.670 3.332 -4.608 423 HB3 PHE 54 3HB PHE 54 0.894 3.040 -6.326 424 HD1 PHE 54 HD2 PHE 54 -1.685 2.070 -3.704 425 HD2 PHE 54 HD1 PHE 54 -0.929 3.611 -7.663 426 HE1 PHE 54 HE2 PHE 54 -4.127 2.183 -4.137 427 HE2 PHE 54 HE1 PHE 54 -3.377 3.768 -8.059 428 HZ PHE 54 HZ PHE 54 -4.971 3.030 -6.307 429 H SER 55 H SER 55 1.437 0.697 -7.571 430 HA SER 55 HA SER 55 -0.964 -0.696 -8.428 431 HB2 SER 55 2HB SER 55 0.249 0.483 -10.080 432 HB3 SER 55 3HB SER 55 1.801 -0.190 -9.557 433 HG SER 55 HG SER 55 0.971 -1.113 -11.508 434 H CYS 56 HN CYS 56 2.295 -1.694 -7.376 435 HA CYS 56 HA CYS 56 2.113 -4.343 -8.151 436 HB2 CYS 56 2HB CYS 56 3.824 -2.953 -6.095 437 HB3 CYS 56 3HB CYS 56 4.069 -4.625 -6.603 438 H PHE 57 H PHE 57 1.109 -2.907 -5.054 439 HA PHE 57 HA PHE 57 0.558 -5.211 -3.504 440 HB2 PHE 57 2HB PHE 57 0.384 -2.994 -2.640 441 HB3 PHE 57 3HB PHE 57 -0.920 -2.577 -3.749 442 HD1 PHE 57 HD1 PHE 57 -3.177 -3.741 -3.519 443 HD2 PHE 57 HD2 PHE 57 -0.087 -4.065 -0.528 444 HE1 PHE 57 HE1 PHE 57 -4.838 -4.601 -1.910 445 HE2 PHE 57 HE2 PHE 57 -1.794 -4.785 1.125 446 HZ PHE 57 HZ PHE 57 -4.158 -5.106 0.430 447 H TRP 58 H TRP 58 -1.648 -3.589 -5.860 448 HA TRP 58 HA TRP 58 -3.728 -5.565 -5.634 449 HB2 TRP 58 2HB TRP 58 -3.202 -3.674 -7.933 450 HB3 TRP 58 3HB TRP 58 -4.723 -4.425 -7.488 451 HD1 TRP 58 HD1 TRP 58 -2.653 -1.426 -6.964 452 HE1 TRP 58 HE1 TRP 58 -3.503 0.103 -5.104 453 HE3 TRP 58 HE3 TRP 58 -6.364 -4.437 -5.092 454 HZ2 TRP 58 HZ2 TRP 58 -5.598 0.046 -3.060 455 HZ3 TRP 58 HZ3 TRP 58 -7.793 -3.640 -3.249 456 HH2 TRP 58 HH2 TRP 58 -7.376 -1.416 -2.205 457 H LYS 59 H LYS 59 -0.865 -5.275 -7.653 458 HA LYS 59 HA LYS 59 -1.467 -7.390 -9.529 459 HB2 LYS 59 2HB LYS 59 -0.004 -5.373 -9.848 460 HB3 LYS 59 3HB LYS 59 1.181 -6.146 -8.783 461 HG2 LYS 59 2HG LYS 59 1.560 -7.914 -10.336 462 HG3 LYS 59 3HG LYS 59 0.157 -7.452 -11.315 463 HD2 LYS 59 2HD LYS 59 2.355 -6.798 -12.316 464 HD3 LYS 59 3HD LYS 59 1.241 -5.455 -12.104 465 HE2 LYS 59 2HE LYS 59 2.984 -5.854 -9.757 466 HE3 LYS 59 3HE LYS 59 3.923 -5.625 -11.228 467 HZ1 LYS 59 3HZ LYS 59 2.871 -3.522 -11.590 468 HZ2 LYS 59 1HZ LYS 59 1.784 -3.731 -10.392 469 HZ3 LYS 59 2HZ LYS 59 3.366 -3.544 -10.020 470 H VAL 60 H VAL 60 -0.208 -7.451 -6.233 471 HA VAL 60 HA VAL 60 0.681 -10.231 -6.336 472 HB VAL 60 HB VAL 60 -0.525 -8.833 -3.926 473 HG11 VAL 60 1HG1 VAL 60 -0.218 -11.251 -3.579 474 HG12 VAL 60 2HG1 VAL 60 1.457 -11.141 -4.166 475 HG13 VAL 60 3HG1 VAL 60 0.974 -10.361 -2.646 476 HG21 VAL 60 3HG2 VAL 60 1.277 -7.406 -4.596 477 HG22 VAL 60 1HG2 VAL 60 1.847 -8.357 -3.252 478 HG23 VAL 60 2HG2 VAL 60 2.358 -8.786 -4.901 479 H GLY 61 H GLY 61 -2.468 -8.725 -6.408 480 HA2 GLY 61 2HA GLY 61 -4.437 -9.848 -7.050 481 HA3 GLY 61 3HA GLY 61 -3.837 -11.366 -6.386 482 H HIS 62 H HIS 62 -3.361 -8.747 -4.198 483 HA HIS 62 HA HIS 62 -5.468 -9.690 -2.397 484 HB2 HIS 62 2HB HIS 62 -3.305 -7.589 -2.201 485 HB3 HIS 62 3HB HIS 62 -4.637 -7.619 -1.050 486 HD2 HIS 62 HD2 HIS 62 -1.574 -9.702 -2.084 487 HE1 HIS 62 HE1 HIS 62 -3.118 -11.465 1.474 488 HE2 HIS 62 HE2 HIS 62 -1.200 -11.504 -0.198 489 H SER 63 H SER 63 -7.125 -8.480 -1.519 490 HA SER 63 HA SER 63 -8.172 -6.135 -2.966 491 HB2 SER 63 2HB SER 63 -9.085 -8.179 -4.107 492 HB3 SER 63 3HB SER 63 -9.841 -8.645 -2.568 493 HG SER 63 HG SER 63 -11.260 -7.435 -3.933 494 H ILE 64 H ILE 64 -9.942 -5.111 -1.758 495 HA ILE 64 HA ILE 64 -9.648 -5.441 1.208 496 HB ILE 64 HB ILE 64 -9.243 -2.801 -0.232 497 HG12 ILE 64 2HG1 ILE 64 -7.062 -4.770 0.550 498 HG13 ILE 64 3HG1 ILE 64 -7.426 -4.156 -1.055 499 HG21 ILE 64 1HG2 ILE 64 -9.883 -2.725 2.163 500 HG22 ILE 64 2HG2 ILE 64 -8.463 -3.725 2.556 501 HG23 ILE 64 3HG2 ILE 64 -8.255 -2.101 1.883 502 HD11 ILE 64 3HD1 ILE 64 -5.590 -2.888 -0.484 503 HD12 ILE 64 1HD1 ILE 64 -6.909 -1.799 -0.050 504 HD13 ILE 64 2HD1 ILE 64 -6.069 -2.747 1.209 505 H ARG 65 H ARG 65 -11.410 -4.820 2.381 506 HA ARG 65 HA ARG 65 -13.875 -4.096 0.809 507 HB2 ARG 65 2HB ARG 65 -15.078 -5.658 2.448 508 HB3 ARG 65 3HB ARG 65 -14.224 -6.347 1.089 509 HG2 ARG 65 2HG ARG 65 -12.804 -6.145 3.753 510 HG3 ARG 65 3HG ARG 65 -14.019 -7.385 3.527 511 HD2 ARG 65 2HD ARG 65 -12.728 -8.644 2.179 512 HD3 ARG 65 3HD ARG 65 -12.129 -7.259 1.260 513 HE ARG 65 HE ARG 65 -10.820 -7.036 3.708 514 HH11 ARG 65 1HH2 ARG 65 -10.848 -9.488 1.171 515 HH12 ARG 65 2HH2 ARG 65 -9.158 -9.830 1.434 516 HH21 ARG 65 1HH1 ARG 65 -8.866 -7.544 3.991 517 HH22 ARG 65 2HH1 ARG 65 -7.984 -8.609 2.892 518 H HIS 66 H HIS 66 -12.102 -3.478 3.712 519 HA HIS 66 HA HIS 66 -13.823 -1.115 4.074 520 HB2 HIS 66 2HB HIS 66 -13.859 -1.264 6.506 521 HB3 HIS 66 3HB HIS 66 -14.870 -2.422 5.677 522 HD2 HIS 66 HD2 HIS 66 -12.701 -4.826 5.333 523 HE1 HIS 66 HE1 HIS 66 -12.840 -4.875 9.566 524 HE2 HIS 66 HE2 HIS 66 -12.221 -6.209 7.501 525 HA PRO 67 HA PRO 67 -9.334 -0.870 3.521 526 HB2 PRO 67 2HB PRO 67 -9.201 1.399 1.878 527 HB3 PRO 67 3HB PRO 67 -9.501 -0.261 1.294 528 HG2 PRO 67 2HG PRO 67 -11.551 1.846 2.012 529 HG3 PRO 67 3HG PRO 67 -11.466 0.851 0.516 530 HD2 PRO 67 2HD PRO 67 -13.102 0.157 2.506 531 HD3 PRO 67 3HD PRO 67 -12.102 -1.113 1.730 532 H ASP 68 H ASP 68 -11.284 1.947 4.587 533 HA ASP 68 HA ASP 68 -8.934 3.270 5.680 534 HB2 ASP 68 2HB ASP 68 -10.538 4.834 6.696 535 HB3 ASP 68 3HB ASP 68 -10.748 4.634 4.963 536 H VAL 69 H VAL 69 -10.591 0.541 6.675 537 HA VAL 69 HA VAL 69 -9.734 0.806 9.507 538 HB VAL 69 HB VAL 69 -11.336 -1.457 8.282 539 HG11 VAL 69 1HG1 VAL 69 -10.964 -0.537 11.162 540 HG12 VAL 69 2HG1 VAL 69 -12.003 -1.875 10.620 541 HG13 VAL 69 3HG1 VAL 69 -10.254 -1.991 10.422 542 HG21 VAL 69 3HG2 VAL 69 -12.393 1.041 9.669 543 HG22 VAL 69 1HG2 VAL 69 -12.694 0.547 7.986 544 HG23 VAL 69 2HG2 VAL 69 -13.350 -0.416 9.307 545 H GLU 70 H GLU 70 -9.403 -1.271 6.611 546 HA GLU 70 HA GLU 70 -7.437 -3.031 7.913 547 HB2 GLU 70 2HB GLU 70 -8.291 -2.838 4.975 548 HB3 GLU 70 3HB GLU 70 -7.392 -4.169 5.708 549 HG2 GLU 70 2HG GLU 70 -9.339 -4.771 7.076 550 HG3 GLU 70 3HG GLU 70 -10.254 -3.426 6.402 551 H VAL 71 H VAL 71 -7.215 -0.368 5.621 552 HA VAL 71 HA VAL 71 -4.301 -0.810 5.187 553 HB VAL 71 HB VAL 71 -6.001 1.307 3.901 554 HG11 VAL 71 1HG1 VAL 71 -3.341 -0.045 3.271 555 HG12 VAL 71 2HG1 VAL 71 -4.123 1.306 2.403 556 HG13 VAL 71 3HG1 VAL 71 -3.511 1.532 4.069 557 HG21 VAL 71 3HG2 VAL 71 -5.930 -0.267 1.942 558 HG22 VAL 71 1HG2 VAL 71 -5.272 -1.529 3.022 559 HG23 VAL 71 2HG2 VAL 71 -6.910 -0.905 3.272 560 H ASP 72 H ASP 72 -3.339 -0.359 6.971 561 HA ASP 72 HA ASP 72 -3.700 1.977 8.615 562 HB2 ASP 72 2HB ASP 72 -2.768 -0.158 9.295 563 HB3 ASP 72 3HB ASP 72 -1.430 0.008 8.163 564 H GLY 73 H GLY 73 -2.579 3.935 8.586 565 HA2 GLY 73 2HA GLY 73 -1.100 5.600 7.898 566 HA3 GLY 73 3HA GLY 73 -0.419 4.513 6.691 567 H PHE 74 H PHE 74 -3.607 4.274 6.048 568 HA PHE 74 HA PHE 74 -3.895 5.989 3.804 569 HB2 PHE 74 2HB PHE 74 -5.258 4.003 4.337 570 HB3 PHE 74 3HB PHE 74 -5.888 4.780 5.778 571 HD1 PHE 74 HD1 PHE 74 -6.034 4.668 2.083 572 HD2 PHE 74 HD2 PHE 74 -7.705 6.387 5.671 573 HE1 PHE 74 HE1 PHE 74 -8.025 5.431 0.803 574 HE2 PHE 74 HE2 PHE 74 -9.688 7.150 4.376 575 HZ PHE 74 HZ PHE 74 -9.836 6.685 1.948 576 H SER 75 H SER 75 -4.222 6.730 7.228 577 HA SER 75 HA SER 75 -5.569 9.255 7.089 578 HB2 SER 75 2HB SER 75 -4.364 9.591 9.301 579 HB3 SER 75 3HB SER 75 -5.395 8.151 9.185 580 HG SER 75 HG SER 75 -3.319 7.706 10.111 581 H GLU 76 H GLU 76 -2.247 8.379 6.240 582 HA GLU 76 HA GLU 76 -1.243 11.122 6.498 583 HB2 GLU 76 2HB GLU 76 0.069 8.726 5.157 584 HB3 GLU 76 3HB GLU 76 0.830 10.243 5.632 585 HG2 GLU 76 2HG GLU 76 0.141 9.678 8.044 586 HG3 GLU 76 3HG GLU 76 -0.199 8.043 7.464 587 H LEU 77 H LEU 77 -2.931 9.381 4.059 588 HA LEU 77 HA LEU 77 -1.796 10.662 1.706 589 HB2 LEU 77 2HB LEU 77 -4.208 8.920 2.269 590 HB3 LEU 77 3HB LEU 77 -3.986 9.668 0.705 591 HG LEU 77 HG LEU 77 -2.038 8.424 0.219 592 HD11 LEU 77 1HD1 LEU 77 -2.094 7.280 3.023 593 HD12 LEU 77 2HD1 LEU 77 -1.073 6.707 1.684 594 HD13 LEU 77 3HD1 LEU 77 -0.841 8.333 2.327 595 HD21 LEU 77 3HD2 LEU 77 -4.213 7.315 -0.093 596 HD22 LEU 77 1HD2 LEU 77 -2.938 6.144 0.272 597 HD23 LEU 77 2HD2 LEU 77 -4.096 6.616 1.533 598 H ARG 78 H ARG 78 -2.704 12.253 0.390 599 HA ARG 78 HA ARG 78 -4.531 14.245 1.479 600 HB2 ARG 78 2HB ARG 78 -2.639 14.522 -0.285 601 HB3 ARG 78 3HB ARG 78 -3.738 13.735 -1.412 602 HG2 ARG 78 2HG ARG 78 -5.323 15.800 -0.404 603 HG3 ARG 78 3HG ARG 78 -3.718 16.515 -0.333 604 HD2 ARG 78 2HD ARG 78 -4.979 15.176 -2.753 605 HD3 ARG 78 3HD ARG 78 -4.915 16.932 -2.484 606 HE ARG 78 HE ARG 78 -2.260 15.982 -2.332 607 HH11 ARG 78 1HH2 ARG 78 -4.691 16.254 -4.842 608 HH12 ARG 78 2HH2 ARG 78 -3.501 16.290 -6.113 609 HH21 ARG 78 1HH1 ARG 78 -0.800 16.050 -4.001 610 HH22 ARG 78 2HH1 ARG 78 -1.358 16.205 -5.640 611 H TRP 79 H TRP 79 -6.675 14.663 0.613 612 HA TRP 79 HA TRP 79 -8.410 12.507 0.516 613 HB2 TRP 79 2HB TRP 79 -9.825 14.171 0.759 614 HB3 TRP 79 3HB TRP 79 -8.612 15.341 0.307 615 HD1 TRP 79 HD1 TRP 79 -11.807 13.825 -0.860 616 HE1 TRP 79 HE1 TRP 79 -12.514 14.807 -3.126 617 HE3 TRP 79 HE3 TRP 79 -7.453 16.190 -2.102 618 HZ2 TRP 79 HZ2 TRP 79 -11.332 16.426 -5.214 619 HZ3 TRP 79 HZ3 TRP 79 -7.260 17.464 -4.227 620 HH2 TRP 79 HH2 TRP 79 -9.193 17.585 -5.792 621 H ASP 80 H ASP 80 -6.736 13.912 -2.283 622 HA ASP 80 HA ASP 80 -8.307 12.560 -4.221 623 HB2 ASP 80 2HB ASP 80 -6.941 14.598 -4.643 624 HB3 ASP 80 3HB ASP 80 -5.489 13.594 -4.584 625 H ASP 81 H ASP 81 -5.529 11.453 -2.356 626 HA ASP 81 HA ASP 81 -5.167 9.028 -4.028 627 HB2 ASP 81 2HB ASP 81 -3.661 10.141 -1.647 628 HB3 ASP 81 3HB ASP 81 -3.458 8.484 -2.219 629 H GLN 82 H GLN 82 -6.463 10.090 -0.837 630 HA GLN 82 HA GLN 82 -7.240 7.526 0.095 631 HB2 GLN 82 2HB GLN 82 -8.448 10.290 0.460 632 HB3 GLN 82 3HB GLN 82 -9.112 8.863 1.251 633 HG2 GLN 82 2HG GLN 82 -6.933 8.410 2.324 634 HG3 GLN 82 3HG GLN 82 -6.257 9.860 1.575 635 HE21 GLN 82 2HE2 GLN 82 -6.273 9.458 4.382 636 HE22 GLN 82 1HE2 GLN 82 -7.331 10.696 5.070 637 H GLN 83 H GLN 83 -9.202 9.839 -1.906 638 HA GLN 83 HA GLN 83 -11.372 8.033 -2.210 639 HB2 GLN 83 2HB GLN 83 -12.258 9.552 -3.817 640 HB3 GLN 83 3HB GLN 83 -11.495 10.460 -2.535 641 HG2 GLN 83 2HG GLN 83 -10.807 11.661 -4.366 642 HG3 GLN 83 3HG GLN 83 -9.431 10.603 -4.119 643 HE21 GLN 83 2HE2 GLN 83 -9.162 11.492 -6.534 644 HE22 GLN 83 1HE2 GLN 83 -9.918 10.458 -7.736 645 H LYS 84 H LYS 84 -8.331 8.162 -4.004 646 HA LYS 84 HA LYS 84 -9.297 6.471 -6.194 647 HB2 LYS 84 2HB LYS 84 -7.851 8.334 -6.664 648 HB3 LYS 84 3HB LYS 84 -6.661 7.776 -5.492 649 HG2 LYS 84 2HG LYS 84 -7.308 5.814 -7.653 650 HG3 LYS 84 3HG LYS 84 -6.583 7.317 -8.218 651 HD2 LYS 84 2HD LYS 84 -5.410 5.681 -5.943 652 HD3 LYS 84 3HD LYS 84 -4.931 5.488 -7.649 653 HE2 LYS 84 2HE LYS 84 -4.208 7.838 -7.761 654 HE3 LYS 84 3HE LYS 84 -4.806 8.132 -6.133 655 HZ1 LYS 84 3HZ LYS 84 -2.432 6.581 -6.896 656 HZ2 LYS 84 1HZ LYS 84 -2.596 7.814 -5.798 657 HZ3 LYS 84 2HZ LYS 84 -3.162 6.327 -5.444 658 H VAL 85 H VAL 85 -7.257 6.125 -3.259 659 HA VAL 85 HA VAL 85 -6.670 3.309 -3.713 660 HB VAL 85 HB VAL 85 -6.782 4.978 -1.173 661 HG11 VAL 85 1HG1 VAL 85 -5.855 2.078 -1.457 662 HG12 VAL 85 2HG1 VAL 85 -5.553 3.113 -0.052 663 HG13 VAL 85 3HG1 VAL 85 -7.207 2.667 -0.461 664 HG21 VAL 85 3HG2 VAL 85 -4.382 4.898 -1.235 665 HG22 VAL 85 1HG2 VAL 85 -4.375 3.719 -2.550 666 HG23 VAL 85 2HG2 VAL 85 -4.896 5.383 -2.857 667 H LYS 86 H LYS 86 -9.366 4.973 -1.958 668 HA LYS 86 HA LYS 86 -10.758 2.502 -1.390 669 HB2 LYS 86 2HB LYS 86 -11.782 5.373 -1.518 670 HB3 LYS 86 3HB LYS 86 -12.730 3.972 -1.000 671 HG2 LYS 86 2HG LYS 86 -10.844 3.507 0.703 672 HG3 LYS 86 3HG LYS 86 -10.217 5.084 0.303 673 HD2 LYS 86 2HD LYS 86 -11.514 5.148 2.363 674 HD3 LYS 86 3HD LYS 86 -12.281 6.162 1.123 675 HE2 LYS 86 2HE LYS 86 -13.958 4.491 0.706 676 HE3 LYS 86 3HE LYS 86 -13.076 3.284 1.660 677 HZ1 LYS 86 3HZ LYS 86 -13.610 4.425 3.660 678 HZ2 LYS 86 1HZ LYS 86 -14.213 5.742 2.868 679 HZ3 LYS 86 2HZ LYS 86 -15.003 4.313 2.836 680 H LYS 87 H LYS 87 -11.069 4.760 -4.172 681 HA LYS 87 HA LYS 87 -13.097 3.258 -5.545 682 HB2 LYS 87 2HB LYS 87 -12.479 5.536 -6.121 683 HB3 LYS 87 3HB LYS 87 -10.904 4.983 -6.730 684 HG2 LYS 87 2HG LYS 87 -11.949 3.728 -8.511 685 HG3 LYS 87 3HG LYS 87 -13.562 3.917 -7.784 686 HD2 LYS 87 2HD LYS 87 -13.480 6.328 -8.134 687 HD3 LYS 87 3HD LYS 87 -11.846 6.202 -8.831 688 HE2 LYS 87 2HE LYS 87 -12.741 4.751 -10.645 689 HE3 LYS 87 3HE LYS 87 -14.362 4.871 -9.947 690 HZ1 LYS 87 3HZ LYS 87 -14.293 7.273 -10.369 691 HZ2 LYS 87 1HZ LYS 87 -12.795 7.163 -11.015 692 HZ3 LYS 87 2HZ LYS 87 -14.062 6.457 -11.761 693 H THR 88 H THR 88 -9.527 2.921 -5.655 694 HA THR 88 HA THR 88 -9.469 0.782 -7.512 695 HB THR 88 HB THR 88 -7.461 1.476 -5.344 696 HG1 THR 88 1HG THR 88 -7.732 3.147 -6.746 697 HG21 THR 88 1HG2 THR 88 -7.207 -0.148 -7.907 698 HG22 THR 88 2HG2 THR 88 -5.859 0.368 -6.862 699 HG23 THR 88 3HG2 THR 88 -7.054 -0.779 -6.249 700 H ALA 89 H ALA 89 -9.884 0.731 -3.951 701 HA ALA 89 HA ALA 89 -9.707 -2.133 -3.669 702 HB1 ALA 89 1HB ALA 89 -11.016 0.018 -1.949 703 HB2 ALA 89 2HB ALA 89 -10.694 -1.651 -1.464 704 HB3 ALA 89 3HB ALA 89 -9.339 -0.554 -1.821 705 H GLU 90 H GLU 90 -12.411 0.188 -4.171 706 HA GLU 90 HA GLU 90 -14.465 -1.815 -4.221 707 HB2 GLU 90 2HB GLU 90 -14.307 1.028 -5.277 708 HB3 GLU 90 3HB GLU 90 -15.763 0.055 -5.444 709 HG2 GLU 90 2HG GLU 90 -14.467 0.609 -2.744 710 HG3 GLU 90 3HG GLU 90 -15.681 1.653 -3.472 711 H ALA 91 H ALA 91 -12.395 -0.482 -6.736 712 HA ALA 91 HA ALA 91 -13.654 -1.810 -8.964 713 HB1 ALA 91 1HB ALA 91 -10.948 -0.441 -8.609 714 HB2 ALA 91 2HB ALA 91 -11.679 -0.887 -10.167 715 HB3 ALA 91 3HB ALA 91 -12.451 0.333 -9.133 716 H GLY 92 H GLY 92 -11.694 -3.098 -6.503 717 HA2 GLY 92 2HA GLY 92 -10.832 -5.213 -6.227 718 HA3 GLY 92 3HA GLY 92 -11.365 -5.649 -7.853 719 H GLY 93 H GLY 93 -9.221 -2.871 -7.335 720 HA2 GLY 93 2HA GLY 93 -6.888 -2.836 -7.254 721 HA3 GLY 93 3HA GLY 93 -6.798 -4.434 -7.978 722 H VAL 94 H VAL 94 -5.415 -1.983 -8.601 723 HA VAL 94 HA VAL 94 -5.756 -2.154 -11.539 724 HB VAL 94 HB VAL 94 -6.681 0.033 -10.748 725 HG11 VAL 94 1HG1 VAL 94 -4.962 0.511 -8.959 726 HG12 VAL 94 2HG1 VAL 94 -3.790 0.846 -10.242 727 HG13 VAL 94 3HG1 VAL 94 -5.249 1.843 -10.089 728 HG21 VAL 94 3HG2 VAL 94 -5.893 -0.342 -13.057 729 HG22 VAL 94 1HG2 VAL 94 -5.647 1.329 -12.526 730 HG23 VAL 94 2HG2 VAL 94 -4.267 0.218 -12.595 731 H THR 95 H THR 95 -3.929 -2.536 -12.636 732 HA THR 95 HA THR 95 -1.528 -3.142 -10.961 733 HB THR 95 HB THR 95 -1.433 -5.225 -12.329 734 HG1 THR 95 1HG THR 95 -3.282 -5.750 -13.532 735 HG21 THR 95 1HG2 THR 95 -4.158 -4.903 -10.988 736 HG22 THR 95 2HG2 THR 95 -3.200 -6.390 -11.170 737 HG23 THR 95 3HG2 THR 95 -2.640 -5.094 -10.095 738 H GLY 96 H GLY 96 -2.132 -1.096 -13.425 739 HA2 GLY 96 2HA GLY 96 0.585 -1.306 -14.525 740 HA3 GLY 96 3HA GLY 96 -0.706 -1.715 -15.648 741 H LYS 97 H LYS 97 0.483 0.119 -16.728 742 HA LYS 97 HA LYS 97 0.694 2.230 -17.519 743 HB2 LYS 97 2HB LYS 97 -2.123 2.617 -16.459 744 HB3 LYS 97 3HB LYS 97 -1.319 3.598 -17.684 745 HG2 LYS 97 2HG LYS 97 -1.124 1.603 -19.165 746 HG3 LYS 97 3HG LYS 97 -2.021 0.645 -17.969 747 HD2 LYS 97 2HD LYS 97 -3.958 2.179 -18.183 748 HD3 LYS 97 3HD LYS 97 -3.068 3.133 -19.390 749 HE2 LYS 97 2HE LYS 97 -2.896 1.123 -20.845 750 HE3 LYS 97 3HE LYS 97 -3.789 0.177 -19.647 751 HZ1 LYS 97 3HZ LYS 97 -5.692 1.665 -19.988 752 HZ2 LYS 97 1HZ LYS 97 -4.866 2.538 -21.096 753 HZ3 LYS 97 2HZ LYS 97 -5.255 0.985 -21.404 754 H GLY 98 H GLY 98 1.585 1.842 -14.713 755 HA2 GLY 98 2HA GLY 98 1.248 4.401 -13.362 756 HA3 GLY 98 3HA GLY 98 2.335 3.098 -12.892 757 H GLN 99 H GLN 99 3.161 5.671 -12.637 758 HA GLN 99 HA GLN 99 4.810 6.500 -14.928 759 HB2 GLN 99 2HB GLN 99 4.543 7.619 -12.112 760 HB3 GLN 99 3HB GLN 99 5.508 8.340 -13.397 761 HG2 GLN 99 2HG GLN 99 2.476 7.973 -13.455 762 HG3 GLN 99 3HG GLN 99 3.338 9.472 -13.136 763 HE21 GLN 99 2HE2 GLN 99 4.781 10.326 -14.962 764 HE22 GLN 99 1HE2 GLN 99 4.244 9.989 -16.602 765 H ASP 100 H ASP 100 7.093 6.807 -14.838 766 HA ASP 100 HA ASP 100 8.503 4.529 -13.684 767 HB2 ASP 100 2HB ASP 100 8.904 5.266 -15.982 768 HB3 ASP 100 3HB ASP 100 9.437 6.848 -15.407 769 H GLY 101 H GLY 101 10.056 4.484 -12.130 770 HA2 GLY 101 2HA GLY 101 11.671 6.482 -11.126 771 HA3 GLY 101 3HA GLY 101 10.229 6.571 -10.111 772 H ILE 102 H ILE 102 13.100 5.680 -9.591 773 HA ILE 102 HA ILE 102 12.465 3.204 -8.116 774 HB ILE 102 HB ILE 102 13.189 2.422 -10.295 775 HG12 ILE 102 2HG1 ILE 102 15.273 1.872 -8.142 776 HG13 ILE 102 3HG1 ILE 102 13.673 1.134 -8.262 777 HG21 ILE 102 1HG2 ILE 102 15.912 3.704 -9.836 778 HG22 ILE 102 2HG2 ILE 102 15.370 2.776 -11.245 779 HG23 ILE 102 3HG2 ILE 102 14.674 4.359 -10.928 780 HD11 ILE 102 3HD1 ILE 102 15.969 0.785 -10.223 781 HD12 ILE 102 1HD1 ILE 102 15.289 -0.421 -9.122 782 HD13 ILE 102 2HD1 ILE 102 14.317 0.170 -10.486 783 H GLY 103 H GLY 103 13.265 3.189 -6.199 784 HA2 GLY 103 2HA GLY 103 14.601 3.295 -4.385 785 HA3 GLY 103 3HA GLY 103 15.916 3.409 -5.539 786 H SER 104 H SER 104 14.982 6.255 -6.294 787 HA SER 104 HA SER 104 15.811 8.313 -5.862 788 HB2 SER 104 2HB SER 104 14.773 7.788 -3.064 789 HB3 SER 104 3HB SER 104 15.241 9.376 -3.705 790 HG SER 104 HG SER 104 13.653 9.192 -5.288 791 H LYS 105 H LYS 105 17.782 6.480 -5.969 792 HA LYS 105 HA LYS 105 19.586 6.366 -3.796 793 HB2 LYS 105 2HB LYS 105 19.356 4.830 -5.804 794 HB3 LYS 105 3HB LYS 105 20.197 6.038 -6.766 795 HG2 LYS 105 2HG LYS 105 21.657 4.206 -6.117 796 HG3 LYS 105 3HG LYS 105 22.242 5.711 -5.420 797 HD2 LYS 105 2HD LYS 105 21.355 5.089 -3.213 798 HD3 LYS 105 3HD LYS 105 20.550 3.663 -3.908 799 HE2 LYS 105 2HE LYS 105 22.774 2.755 -4.571 800 HE3 LYS 105 3HE LYS 105 23.563 4.157 -3.841 801 HZ1 LYS 105 3HZ LYS 105 21.911 2.165 -2.375 802 HZ2 LYS 105 1HZ LYS 105 23.536 2.266 -2.319 803 HZ3 LYS 105 2HZ LYS 105 22.626 3.463 -1.686 804 H ALA 106 H ALA 106 19.021 9.117 -5.640 805 HA ALA 106 HA ALA 106 21.586 10.413 -5.494 806 HB1 ALA 106 1HB ALA 106 18.753 11.552 -5.433 807 HB2 ALA 106 2HB ALA 106 20.240 12.469 -5.755 808 HB3 ALA 106 3HB ALA 106 19.712 11.217 -6.896 809 H GLU 107 H GLU 107 19.138 9.696 -3.052 810 HA GLU 107 HA GLU 107 20.821 11.045 -0.979 811 HB2 GLU 107 2HB GLU 107 17.968 10.010 -0.848 812 HB3 GLU 107 3HB GLU 107 18.936 10.449 0.567 813 HG2 GLU 107 2HG GLU 107 19.245 12.746 -0.361 814 HG3 GLU 107 3HG GLU 107 18.213 12.320 -1.730 815 H LYS 108 H LYS 108 21.787 9.867 0.606 816 HA LYS 108 HA LYS 108 21.815 6.889 0.453 817 HB2 LYS 108 2HB LYS 108 24.238 8.730 0.260 818 HB3 LYS 108 3HB LYS 108 24.311 6.986 0.526 819 HG2 LYS 108 2HG LYS 108 23.222 6.578 -1.659 820 HG3 LYS 108 3HG LYS 108 23.123 8.328 -1.943 821 HD2 LYS 108 2HD LYS 108 25.583 8.510 -1.876 822 HD3 LYS 108 3HD LYS 108 25.715 6.787 -1.511 823 HE2 LYS 108 2HE LYS 108 26.212 7.149 -3.846 824 HE3 LYS 108 3HE LYS 108 24.727 6.208 -3.694 825 HZ1 LYS 108 3HZ LYS 108 24.786 9.139 -4.191 826 HZ2 LYS 108 1HZ LYS 108 24.587 8.016 -5.358 827 HZ3 LYS 108 2HZ LYS 108 23.447 8.180 -4.203 Start of MODEL 9 1 H1 MET 1 H1 MET 1 7.426 1.945 25.255 2 H2 MET 1 H2 MET 1 6.633 0.644 25.850 3 H3 MET 1 H3 MET 1 6.392 2.120 26.515 4 HA MET 1 HA MET 1 4.521 1.501 25.146 5 HB2 MET 1 2HB MET 1 5.154 3.901 25.392 6 HB3 MET 1 3HB MET 1 6.136 3.786 23.929 7 HG2 MET 1 2HG MET 1 3.942 4.811 23.516 8 HG3 MET 1 3HG MET 1 4.149 3.336 22.582 9 HE1 MET 1 1HE MET 1 0.294 3.393 23.215 10 HE2 MET 1 2HE MET 1 1.357 4.788 22.927 11 HE3 MET 1 3HE MET 1 1.593 3.282 22.008 12 H ALA 2 H ALA 2 3.673 0.809 23.157 13 HA ALA 2 HA ALA 2 5.498 0.119 20.938 14 HB1 ALA 2 1HB ALA 2 3.765 -1.930 22.397 15 HB2 ALA 2 2HB ALA 2 4.707 -2.223 20.919 16 HB3 ALA 2 3HB ALA 2 5.541 -1.854 22.438 17 H GLU 3 H GLU 3 4.253 -0.695 19.034 18 HA GLU 3 HA GLU 3 1.515 0.506 18.823 19 HB2 GLU 3 2HB GLU 3 3.748 0.532 16.760 20 HB3 GLU 3 3HB GLU 3 2.075 1.024 16.464 21 HG2 GLU 3 2HG GLU 3 2.279 2.775 18.225 22 HG3 GLU 3 3HG GLU 3 3.971 2.332 18.465 23 H SER 4 H SER 4 0.023 -0.518 17.461 24 HA SER 4 HA SER 4 0.210 -3.406 17.574 25 HB2 SER 4 2HB SER 4 -1.857 -2.274 18.120 26 HB3 SER 4 3HB SER 4 -1.957 -1.582 16.488 27 HG SER 4 HG SER 4 -3.213 -3.541 16.851 28 H SER 5 H SER 5 0.399 -4.891 16.041 29 HA SER 5 HA SER 5 0.526 -4.121 13.163 30 HB2 SER 5 2HB SER 5 2.038 -5.947 12.740 31 HB3 SER 5 3HB SER 5 2.730 -4.862 13.939 32 HG SER 5 HG SER 5 2.226 -6.319 15.565 33 H ASP 6 H ASP 6 -1.794 -4.810 14.899 34 HA ASP 6 HA ASP 6 -2.689 -7.289 13.701 35 HB2 ASP 6 2HB ASP 6 -3.095 -6.684 16.087 36 HB3 ASP 6 3HB ASP 6 -4.214 -5.430 15.543 37 H LYS 7 H LYS 7 -2.186 -5.666 11.635 38 HA LYS 7 HA LYS 7 -4.851 -5.098 10.401 39 HB2 LYS 7 2HB LYS 7 -2.173 -3.829 9.701 40 HB3 LYS 7 3HB LYS 7 -3.729 -3.529 8.939 41 HG2 LYS 7 2HG LYS 7 -3.890 -1.779 10.327 42 HG3 LYS 7 3HG LYS 7 -4.412 -2.965 11.522 43 HD2 LYS 7 2HD LYS 7 -1.967 -3.176 12.239 44 HD3 LYS 7 3HD LYS 7 -1.600 -1.873 11.096 45 HE2 LYS 7 2HE LYS 7 -3.537 -0.599 12.377 46 HE3 LYS 7 3HE LYS 7 -3.247 -1.798 13.649 47 HZ1 LYS 7 3HZ LYS 7 -1.902 0.184 14.005 48 HZ2 LYS 7 1HZ LYS 7 -0.875 -1.039 13.619 49 HZ3 LYS 7 2HZ LYS 7 -1.280 0.111 12.499 50 H LEU 8 H LEU 8 -4.549 -5.277 7.954 51 HA LEU 8 HA LEU 8 -2.924 -7.694 7.200 52 HB2 LEU 8 2HB LEU 8 -5.354 -6.381 5.898 53 HB3 LEU 8 3HB LEU 8 -4.522 -7.793 5.259 54 HG LEU 8 HG LEU 8 -6.008 -7.737 7.927 55 HD11 LEU 8 1HD1 LEU 8 -6.821 -8.800 5.194 56 HD12 LEU 8 2HD1 LEU 8 -7.752 -8.966 6.707 57 HD13 LEU 8 3HD1 LEU 8 -7.479 -7.359 5.996 58 HD21 LEU 8 3HD2 LEU 8 -4.248 -9.447 7.850 59 HD22 LEU 8 1HD2 LEU 8 -5.849 -10.199 7.741 60 HD23 LEU 8 2HD2 LEU 8 -4.850 -10.022 6.278 61 H TYR 9 H TYR 9 -3.361 -4.271 6.686 62 HA TYR 9 HA TYR 9 -1.628 -4.316 4.268 63 HB2 TYR 9 2HB TYR 9 -4.321 -2.948 4.483 64 HB3 TYR 9 3HB TYR 9 -3.281 -2.997 3.065 65 HD1 TYR 9 HD2 TYR 9 -2.639 -5.771 2.658 66 HD2 TYR 9 HD1 TYR 9 -6.309 -4.052 4.089 67 HE1 TYR 9 HE2 TYR 9 -3.885 -7.768 1.831 68 HE2 TYR 9 HE1 TYR 9 -7.559 -6.053 3.288 69 HH TYR 9 HH TYR 9 -7.438 -8.054 2.161 70 H ARG 10 H ARG 10 -0.793 -2.285 3.684 71 HA ARG 10 HA ARG 10 -0.935 -0.035 5.607 72 HB2 ARG 10 2HB ARG 10 0.958 -1.262 6.408 73 HB3 ARG 10 3HB ARG 10 1.487 -1.632 4.788 74 HG2 ARG 10 2HG ARG 10 3.060 -0.124 5.685 75 HG3 ARG 10 3HG ARG 10 2.166 0.768 4.464 76 HD2 ARG 10 2HD ARG 10 0.734 1.710 6.336 77 HD3 ARG 10 3HD ARG 10 1.792 0.887 7.491 78 HE ARG 10 HE ARG 10 3.353 2.588 5.791 79 HH11 ARG 10 1HH2 ARG 10 1.081 2.903 8.515 80 HH12 ARG 10 2HH2 ARG 10 1.495 4.623 8.644 81 HH21 ARG 10 1HH1 ARG 10 3.971 4.730 6.423 82 HH22 ARG 10 2HH1 ARG 10 2.927 5.518 7.609 83 H VAL 11 H VAL 11 -0.655 1.984 4.611 84 HA VAL 11 HA VAL 11 0.385 2.160 1.839 85 HB VAL 11 HB VAL 11 -2.143 1.964 1.831 86 HG11 VAL 11 1HG1 VAL 11 -2.116 4.845 2.819 87 HG12 VAL 11 2HG1 VAL 11 -3.520 3.857 2.385 88 HG13 VAL 11 3HG1 VAL 11 -2.550 3.477 3.826 89 HG21 VAL 11 3HG2 VAL 11 -1.067 4.609 0.716 90 HG22 VAL 11 1HG2 VAL 11 -0.781 3.053 -0.044 91 HG23 VAL 11 2HG2 VAL 11 -2.435 3.660 0.100 92 H GLU 12 H GLU 12 1.489 4.084 1.412 93 HA GLU 12 HA GLU 12 1.122 6.414 3.103 94 HB2 GLU 12 2HB GLU 12 3.337 6.613 4.002 95 HB3 GLU 12 3HB GLU 12 2.643 5.104 4.562 96 HG2 GLU 12 2HG GLU 12 4.003 3.807 3.044 97 HG3 GLU 12 3HG GLU 12 4.559 5.262 2.204 98 H TYR 13 H TYR 13 2.249 8.255 2.521 99 HA TYR 13 HA TYR 13 3.580 8.405 -0.103 100 HB2 TYR 13 2HB TYR 13 3.456 10.366 2.216 101 HB3 TYR 13 3HB TYR 13 4.090 10.694 0.609 102 HD1 TYR 13 HD1 TYR 13 1.562 9.016 -0.682 103 HD2 TYR 13 HD2 TYR 13 2.021 12.337 2.040 104 HE1 TYR 13 HE1 TYR 13 -0.536 10.009 -1.536 105 HE2 TYR 13 HE2 TYR 13 -0.134 13.289 1.225 106 HH TYR 13 HH TYR 13 -1.858 11.897 -1.570 107 H ALA 14 H ALA 14 5.663 8.020 -0.403 108 HA ALA 14 HA ALA 14 7.233 6.697 1.565 109 HB1 ALA 14 1HB ALA 14 7.862 7.754 -1.222 110 HB2 ALA 14 2HB ALA 14 8.916 6.678 -0.305 111 HB3 ALA 14 3HB ALA 14 7.296 6.126 -0.803 112 H LYS 15 H LYS 15 8.425 7.536 3.140 113 HA LYS 15 HA LYS 15 9.097 10.327 3.407 114 HB2 LYS 15 2HB LYS 15 10.002 7.834 4.911 115 HB3 LYS 15 3HB LYS 15 10.619 9.436 5.285 116 HG2 LYS 15 2HG LYS 15 8.839 8.847 6.814 117 HG3 LYS 15 3HG LYS 15 8.391 10.258 5.845 118 HD2 LYS 15 2HD LYS 15 6.951 8.912 4.440 119 HD3 LYS 15 3HD LYS 15 7.498 7.408 5.228 120 HE2 LYS 15 2HE LYS 15 6.471 8.212 7.346 121 HE3 LYS 15 3HE LYS 15 5.938 9.685 6.508 122 HZ1 LYS 15 3HZ LYS 15 4.701 8.243 4.964 123 HZ2 LYS 15 1HZ LYS 15 5.158 6.906 5.792 124 HZ3 LYS 15 2HZ LYS 15 4.164 8.001 6.505 125 H SER 16 H SER 16 11.044 7.514 2.594 126 HA SER 16 HA SER 16 12.880 8.991 0.868 127 HB2 SER 16 2HB SER 16 13.782 7.735 3.475 128 HB3 SER 16 3HB SER 16 14.871 7.850 2.080 129 HG SER 16 HG SER 16 14.992 9.665 3.525 130 H GLY 17 H GLY 17 14.365 7.424 -0.258 131 HA2 GLY 17 2HA GLY 17 13.026 4.992 -1.141 132 HA3 GLY 17 3HA GLY 17 14.636 5.552 -1.595 133 H ARG 18 H ARG 18 12.833 4.122 1.098 134 HA ARG 18 HA ARG 18 15.227 2.554 1.970 135 HB2 ARG 18 2HB ARG 18 14.784 4.549 3.339 136 HB3 ARG 18 3HB ARG 18 13.137 4.018 3.641 137 HG2 ARG 18 2HG ARG 18 14.703 3.715 5.553 138 HG3 ARG 18 3HG ARG 18 13.871 2.248 5.074 139 HD2 ARG 18 2HD ARG 18 15.986 1.603 3.755 140 HD3 ARG 18 3HD ARG 18 16.761 3.017 4.466 141 HE ARG 18 HE ARG 18 16.967 1.870 6.476 142 HH11 ARG 18 1HH2 ARG 18 14.620 0.086 4.544 143 HH12 ARG 18 2HH2 ARG 18 14.687 -1.294 5.612 144 HH21 ARG 18 1HH1 ARG 18 16.947 0.106 7.795 145 HH22 ARG 18 2HH1 ARG 18 15.951 -1.271 7.415 146 H ALA 19 H ALA 19 12.529 1.960 0.433 147 HA ALA 19 HA ALA 19 12.085 -0.679 1.741 148 HB1 ALA 19 1HB ALA 19 9.935 1.116 0.540 149 HB2 ALA 19 2HB ALA 19 9.702 -0.524 1.176 150 HB3 ALA 19 3HB ALA 19 10.170 0.786 2.273 151 H SER 20 H SER 20 11.601 -2.409 0.321 152 HA SER 20 HA SER 20 12.313 -1.959 -2.532 153 HB2 SER 20 2HB SER 20 13.314 -4.194 -2.541 154 HB3 SER 20 3HB SER 20 14.154 -3.046 -1.488 155 HG SER 20 HG SER 20 13.865 -5.078 -0.467 156 H CYS 21 HN CYS 21 11.183 -3.071 -4.110 157 HA CYS 21 HA CYS 21 8.441 -3.749 -3.332 158 HB2 CYS 21 2HB CYS 21 8.998 -2.276 -5.238 159 HB3 CYS 21 3HB CYS 21 9.797 -3.641 -6.040 160 H LYS 22 H LYS 22 8.043 -5.696 -2.575 161 HA LYS 22 HA LYS 22 9.679 -8.029 -3.068 162 HB2 LYS 22 2HB LYS 22 6.824 -7.945 -2.041 163 HB3 LYS 22 3HB LYS 22 7.974 -9.229 -1.756 164 HG2 LYS 22 2HG LYS 22 8.182 -6.376 -0.706 165 HG3 LYS 22 3HG LYS 22 7.530 -7.719 0.194 166 HD2 LYS 22 2HD LYS 22 10.395 -7.474 -0.803 167 HD3 LYS 22 3HD LYS 22 9.833 -7.166 0.853 168 HE2 LYS 22 2HE LYS 22 9.057 -9.525 1.033 169 HE3 LYS 22 3HE LYS 22 9.679 -9.850 -0.590 170 HZ1 LYS 22 3HZ LYS 22 11.337 -9.001 1.725 171 HZ2 LYS 22 1HZ LYS 22 11.278 -10.509 1.107 172 HZ3 LYS 22 2HZ LYS 22 11.910 -9.293 0.223 173 H LYS 23 H LYS 23 7.358 -6.612 -5.029 174 HA LYS 23 HA LYS 23 6.416 -9.145 -6.274 175 HB2 LYS 23 2HB LYS 23 4.723 -7.570 -5.527 176 HB3 LYS 23 3HB LYS 23 5.457 -6.280 -6.476 177 HG2 LYS 23 2HG LYS 23 3.422 -7.146 -7.517 178 HG3 LYS 23 3HG LYS 23 4.820 -7.381 -8.564 179 HD2 LYS 23 2HD LYS 23 4.919 -9.767 -7.980 180 HD3 LYS 23 3HD LYS 23 3.632 -9.554 -6.772 181 HE2 LYS 23 2HE LYS 23 2.069 -8.864 -8.531 182 HE3 LYS 23 3HE LYS 23 3.337 -8.989 -9.757 183 HZ1 LYS 23 3HZ LYS 23 2.326 -11.282 -8.147 184 HZ2 LYS 23 1HZ LYS 23 1.897 -10.970 -9.686 185 HZ3 LYS 23 2HZ LYS 23 3.442 -11.376 -9.339 186 H CYS 24 HN CYS 24 7.859 -6.024 -7.389 187 HA CYS 24 HA CYS 24 8.646 -7.454 -9.879 188 HB2 CYS 24 2HB CYS 24 8.486 -5.533 -11.115 189 HB3 CYS 24 3HB CYS 24 7.018 -5.614 -10.148 190 H SER 25 H SER 25 10.071 -6.695 -7.076 191 HA SER 25 HA SER 25 12.125 -6.751 -6.296 192 HB2 SER 25 2HB SER 25 13.790 -8.083 -7.291 193 HB3 SER 25 3HB SER 25 12.213 -8.800 -7.625 194 HG SER 25 HG SER 25 12.422 -7.502 -9.698 195 H GLU 26 H GLU 26 11.350 -4.289 -7.891 196 HA GLU 26 HA GLU 26 14.036 -2.984 -8.053 197 HB2 GLU 26 2HB GLU 26 11.273 -1.864 -8.656 198 HB3 GLU 26 3HB GLU 26 12.810 -1.005 -8.810 199 HG2 GLU 26 2HG GLU 26 13.530 -2.851 -10.437 200 HG3 GLU 26 3HG GLU 26 11.833 -3.335 -10.483 201 H SER 27 H SER 27 13.590 -0.533 -6.991 202 HA SER 27 HA SER 27 12.563 -0.984 -4.235 203 HB2 SER 27 2HB SER 27 15.043 0.545 -4.971 204 HB3 SER 27 3HB SER 27 14.262 0.531 -3.366 205 HG SER 27 HG SER 27 15.986 -0.973 -3.545 206 H ILE 28 H ILE 28 11.714 0.781 -3.104 207 HA ILE 28 HA ILE 28 9.936 2.099 -5.037 208 HB ILE 28 HB ILE 28 9.552 1.636 -2.072 209 HG12 ILE 28 2HG1 ILE 28 8.307 -0.031 -4.296 210 HG13 ILE 28 3HG1 ILE 28 9.814 -0.513 -3.525 211 HG21 ILE 28 1HG2 ILE 28 8.090 3.420 -2.999 212 HG22 ILE 28 2HG2 ILE 28 7.658 2.383 -4.368 213 HG23 ILE 28 3HG2 ILE 28 7.131 1.950 -2.748 214 HD11 ILE 28 3HD1 ILE 28 8.018 -1.663 -2.443 215 HD12 ILE 28 1HD1 ILE 28 8.749 -0.521 -1.309 216 HD13 ILE 28 2HD1 ILE 28 7.182 -0.149 -2.063 217 HA PRO 29 HA PRO 29 12.387 5.652 -4.071 218 HB2 PRO 29 2HB PRO 29 11.453 7.485 -5.873 219 HB3 PRO 29 3HB PRO 29 12.373 6.021 -6.340 220 HG2 PRO 29 2HG PRO 29 9.354 6.373 -6.281 221 HG3 PRO 29 3HG PRO 29 10.367 5.761 -7.632 222 HD2 PRO 29 2HD PRO 29 9.131 4.061 -5.920 223 HD3 PRO 29 3HD PRO 29 10.784 3.720 -6.515 224 H LYS 30 H LYS 30 12.451 7.723 -3.268 225 HA LYS 30 HA LYS 30 10.703 8.577 -1.203 226 HB2 LYS 30 2HB LYS 30 13.123 9.121 -1.534 227 HB3 LYS 30 3HB LYS 30 12.706 10.133 -2.913 228 HG2 LYS 30 2HG LYS 30 11.534 11.721 -1.465 229 HG3 LYS 30 3HG LYS 30 11.746 10.653 -0.071 230 HD2 LYS 30 2HD LYS 30 14.276 10.856 -0.414 231 HD3 LYS 30 3HD LYS 30 13.939 12.017 -1.696 232 HE2 LYS 30 2HE LYS 30 14.473 13.330 0.162 233 HE3 LYS 30 3HE LYS 30 12.714 13.434 0.039 234 HZ1 LYS 30 3HZ LYS 30 14.160 11.590 1.894 235 HZ2 LYS 30 1HZ LYS 30 13.513 13.028 2.334 236 HZ3 LYS 30 2HZ LYS 30 12.557 11.800 1.842 237 H ASP 31 H ASP 31 9.161 10.181 -1.048 238 HA ASP 31 HA ASP 31 7.349 11.364 -1.622 239 HB2 ASP 31 2HB ASP 31 9.208 12.946 -2.034 240 HB3 ASP 31 3HB ASP 31 9.159 12.541 -3.749 241 H SER 32 H SER 32 7.031 8.889 -2.509 242 HA SER 32 HA SER 32 5.191 9.191 -4.806 243 HB2 SER 32 2HB SER 32 7.391 8.209 -5.600 244 HB3 SER 32 3HB SER 32 7.080 6.823 -4.534 245 HG SER 32 HG SER 32 6.322 6.548 -6.734 246 H LEU 33 H LEU 33 3.778 7.085 -4.884 247 HA LEU 33 HA LEU 33 2.755 6.685 -2.125 248 HB2 LEU 33 2HB LEU 33 1.235 7.617 -3.866 249 HB3 LEU 33 3HB LEU 33 1.475 6.160 -4.829 250 HG LEU 33 HG LEU 33 0.471 4.818 -2.941 251 HD11 LEU 33 1HD1 LEU 33 0.766 6.378 -1.054 252 HD12 LEU 33 2HD1 LEU 33 -0.275 7.571 -1.857 253 HD13 LEU 33 3HD1 LEU 33 -0.944 6.026 -1.297 254 HD21 LEU 33 3HD2 LEU 33 -1.835 5.456 -3.457 255 HD22 LEU 33 1HD2 LEU 33 -1.285 7.041 -4.055 256 HD23 LEU 33 2HD2 LEU 33 -0.840 5.554 -4.922 257 H ARG 34 H ARG 34 2.853 4.756 -1.118 258 HA ARG 34 HA ARG 34 3.522 2.281 -2.618 259 HB2 ARG 34 2HB ARG 34 5.310 1.679 -1.180 260 HB3 ARG 34 3HB ARG 34 5.653 3.269 -1.879 261 HG2 ARG 34 2HG ARG 34 5.297 4.393 0.182 262 HG3 ARG 34 3HG ARG 34 4.502 2.984 0.899 263 HD2 ARG 34 2HD ARG 34 6.623 3.049 1.895 264 HD3 ARG 34 3HD ARG 34 6.659 1.721 0.760 265 HE ARG 34 HE ARG 34 7.955 3.152 -0.796 266 HH11 ARG 34 1HH2 ARG 34 7.942 4.351 2.544 267 HH12 ARG 34 2HH2 ARG 34 9.635 4.767 2.436 268 HH21 ARG 34 1HH1 ARG 34 10.073 3.978 -0.853 269 HH22 ARG 34 2HH1 ARG 34 10.638 4.842 0.542 270 H MET 35 H MET 35 3.164 0.351 -1.454 271 HA MET 35 HA MET 35 1.328 0.508 0.859 272 HB2 MET 35 2HB MET 35 0.792 -0.929 -1.766 273 HB3 MET 35 3HB MET 35 0.005 -1.394 -0.245 274 HG2 MET 35 2HG MET 35 -0.853 0.898 0.006 275 HG3 MET 35 3HG MET 35 -0.150 1.330 -1.558 276 HE1 MET 35 3HE MET 35 -2.390 -1.717 -0.168 277 HE2 MET 35 1HE MET 35 -3.067 -0.181 0.423 278 HE3 MET 35 2HE MET 35 -3.971 -1.153 -0.759 279 H ALA 36 H ALA 36 1.106 -1.518 2.002 280 HA ALA 36 HA ALA 36 3.240 -3.474 1.550 281 HB1 ALA 36 1HB ALA 36 4.605 -2.736 3.167 282 HB2 ALA 36 2HB ALA 36 3.495 -1.417 3.554 283 HB3 ALA 36 3HB ALA 36 3.331 -2.988 4.363 284 H ILE 37 H ILE 37 3.002 -5.414 2.944 285 HA ILE 37 HA ILE 37 0.187 -5.855 3.859 286 HB ILE 37 HB ILE 37 1.815 -7.301 1.874 287 HG12 ILE 37 2HG1 ILE 37 -1.151 -7.378 2.576 288 HG13 ILE 37 3HG1 ILE 37 -0.400 -6.089 1.633 289 HG21 ILE 37 1HG2 ILE 37 0.261 -8.976 3.871 290 HG22 ILE 37 2HG2 ILE 37 1.011 -9.519 2.335 291 HG23 ILE 37 3HG2 ILE 37 2.034 -8.964 3.651 292 HD11 ILE 37 3HD1 ILE 37 0.313 -7.724 -0.076 293 HD12 ILE 37 1HD1 ILE 37 -0.536 -9.004 0.817 294 HD13 ILE 37 2HD1 ILE 37 -1.448 -7.645 0.123 295 H MET 38 H MET 38 -0.193 -6.997 5.618 296 HA MET 38 HA MET 38 2.066 -7.096 7.498 297 HB2 MET 38 2HB MET 38 -0.288 -5.845 7.699 298 HB3 MET 38 3HB MET 38 -0.858 -7.436 8.161 299 HG2 MET 38 2HG MET 38 -0.388 -6.621 10.215 300 HG3 MET 38 3HG MET 38 1.212 -7.263 9.848 301 HE1 MET 38 3HE MET 38 3.136 -5.819 8.898 302 HE2 MET 38 1HE MET 38 2.162 -4.967 7.676 303 HE3 MET 38 2HE MET 38 3.173 -4.037 8.815 304 H VAL 39 H VAL 39 3.169 -8.932 7.368 305 HA VAL 39 HA VAL 39 1.640 -11.504 7.660 306 HB VAL 39 HB VAL 39 2.745 -11.344 5.506 307 HG11 VAL 39 1HG1 VAL 39 5.382 -11.286 7.024 308 HG12 VAL 39 2HG1 VAL 39 5.151 -11.453 5.274 309 HG13 VAL 39 3HG1 VAL 39 4.694 -9.945 6.080 310 HG21 VAL 39 3HG2 VAL 39 2.416 -13.545 6.587 311 HG22 VAL 39 1HG2 VAL 39 3.798 -13.494 5.483 312 HG23 VAL 39 2HG2 VAL 39 4.078 -13.452 7.230 313 H GLN 40 H GLN 40 2.242 -13.004 9.123 314 HA GLN 40 HA GLN 40 3.564 -12.096 11.522 315 HB2 GLN 40 2HB GLN 40 3.266 -14.526 12.199 316 HB3 GLN 40 3HB GLN 40 1.813 -13.581 11.877 317 HG2 GLN 40 2HG GLN 40 1.522 -14.620 9.685 318 HG3 GLN 40 3HG GLN 40 3.050 -15.484 9.842 319 HE21 GLN 40 2HE2 GLN 40 1.225 -17.218 9.269 320 HE22 GLN 40 1HE2 GLN 40 0.562 -18.025 10.683 321 H SER 41 H SER 41 5.627 -12.225 12.158 322 HA SER 41 HA SER 41 7.581 -13.124 10.170 323 HB2 SER 41 2HB SER 41 7.731 -10.899 11.195 324 HB3 SER 41 3HB SER 41 7.976 -11.663 12.775 325 HG SER 41 HG SER 41 9.685 -11.536 10.539 326 HA PRO 42 HA PRO 42 8.981 -16.590 12.593 327 HB2 PRO 42 2HB PRO 42 11.239 -16.594 10.607 328 HB3 PRO 42 3HB PRO 42 10.213 -17.957 11.143 329 HG2 PRO 42 2HG PRO 42 9.837 -16.797 8.707 330 HG3 PRO 42 3HG PRO 42 8.432 -17.287 9.714 331 HD2 PRO 42 2HD PRO 42 9.664 -14.523 9.442 332 HD3 PRO 42 3HD PRO 42 7.943 -15.016 9.369 333 H MET 43 H MET 43 10.560 -13.589 12.004 334 HA MET 43 HA MET 43 12.841 -14.184 13.850 335 HB2 MET 43 2HB MET 43 12.567 -12.287 11.519 336 HB3 MET 43 3HB MET 43 13.918 -12.233 12.645 337 HG2 MET 43 2HG MET 43 14.864 -14.173 11.921 338 HG3 MET 43 3HG MET 43 13.336 -14.929 11.496 339 HE1 MET 43 3HE MET 43 11.816 -13.210 9.630 340 HE2 MET 43 1HE MET 43 12.433 -13.682 8.027 341 HE3 MET 43 2HE MET 43 12.183 -14.908 9.294 342 H PHE 44 H PHE 44 10.099 -12.055 13.366 343 HA PHE 44 HA PHE 44 10.931 -10.310 15.645 344 HB2 PHE 44 2HB PHE 44 10.782 -9.120 13.551 345 HB3 PHE 44 3HB PHE 44 9.184 -9.764 13.230 346 HD1 PHE 44 HD1 PHE 44 11.060 -7.634 15.694 347 HD2 PHE 44 HD2 PHE 44 7.256 -8.585 13.899 348 HE1 PHE 44 HE1 PHE 44 10.016 -5.712 16.876 349 HE2 PHE 44 HE2 PHE 44 6.219 -6.657 15.069 350 HZ PHE 44 HZ PHE 44 7.596 -5.224 16.567 351 H ASP 45 H ASP 45 9.281 -9.528 17.039 352 HA ASP 45 HA ASP 45 7.611 -11.734 18.004 353 HB2 ASP 45 2HB ASP 45 8.351 -9.064 19.247 354 HB3 ASP 45 3HB ASP 45 7.442 -10.343 20.054 355 H GLY 46 H GLY 46 6.511 -10.783 15.683 356 HA2 GLY 46 2HA GLY 46 3.787 -10.394 16.101 357 HA3 GLY 46 3HA GLY 46 4.467 -8.761 16.038 358 H LYS 47 H LYS 47 3.399 -8.255 14.098 359 HA LYS 47 HA LYS 47 4.173 -9.854 11.704 360 HB2 LYS 47 2HB LYS 47 1.883 -7.898 11.836 361 HB3 LYS 47 3HB LYS 47 2.240 -9.106 10.608 362 HG2 LYS 47 2HG LYS 47 2.022 -10.648 12.938 363 HG3 LYS 47 3HG LYS 47 0.847 -9.370 13.223 364 HD2 LYS 47 2HD LYS 47 1.008 -11.330 10.924 365 HD3 LYS 47 3HD LYS 47 -0.177 -11.335 12.218 366 HE2 LYS 47 2HE LYS 47 0.089 -9.227 10.021 367 HE3 LYS 47 3HE LYS 47 -1.063 -10.557 10.025 368 HZ1 LYS 47 3HZ LYS 47 -2.061 -9.607 12.042 369 HZ2 LYS 47 1HZ LYS 47 -1.003 -8.343 12.017 370 HZ3 LYS 47 2HZ LYS 47 -2.094 -8.523 10.810 371 H VAL 48 H VAL 48 4.825 -8.924 9.839 372 HA VAL 48 HA VAL 48 6.180 -6.283 10.135 373 HB VAL 48 HB VAL 48 8.071 -7.254 8.853 374 HG11 VAL 48 1HG1 VAL 48 7.433 -8.662 11.482 375 HG12 VAL 48 2HG1 VAL 48 9.043 -8.463 10.761 376 HG13 VAL 48 3HG1 VAL 48 8.138 -7.045 11.314 377 HG21 VAL 48 3HG2 VAL 48 6.732 -9.947 9.373 378 HG22 VAL 48 1HG2 VAL 48 6.952 -9.189 7.787 379 HG23 VAL 48 2HG2 VAL 48 8.364 -9.685 8.727 380 HA PRO 49 HA PRO 49 4.289 -5.376 6.286 381 HB2 PRO 49 2HB PRO 49 5.561 -3.084 5.518 382 HB3 PRO 49 3HB PRO 49 4.500 -3.173 6.955 383 HG2 PRO 49 2HG PRO 49 7.527 -3.361 6.849 384 HG3 PRO 49 3HG PRO 49 6.516 -2.372 7.948 385 HD2 PRO 49 2HD PRO 49 7.544 -4.816 8.662 386 HD3 PRO 49 3HD PRO 49 5.963 -4.228 9.259 387 H HIS 50 H HIS 50 4.445 -6.338 4.316 388 HA HIS 50 HA HIS 50 7.087 -6.547 2.904 389 HB2 HIS 50 2HB HIS 50 4.430 -7.998 2.683 390 HB3 HIS 50 3HB HIS 50 5.573 -7.985 1.349 391 HD2 HIS 50 HD2 HIS 50 6.744 -8.233 5.013 392 HE1 HIS 50 HE1 HIS 50 7.540 -12.007 3.198 393 HE2 HIS 50 HE2 HIS 50 7.920 -10.587 5.278 394 H TRP 51 H TRP 51 7.527 -4.714 1.826 395 HA TRP 51 HA TRP 51 5.379 -2.922 1.051 396 HB2 TRP 51 2HB TRP 51 8.375 -2.684 0.693 397 HB3 TRP 51 3HB TRP 51 7.188 -1.418 0.407 398 HD1 TRP 51 HD1 TRP 51 9.115 -3.110 3.156 399 HE1 TRP 51 HE1 TRP 51 8.752 -1.888 5.378 400 HE3 TRP 51 HE3 TRP 51 5.291 0.020 1.753 401 HZ2 TRP 51 HZ2 TRP 51 6.996 0.125 6.436 402 HZ3 TRP 51 HZ3 TRP 51 4.271 1.563 3.433 403 HH2 TRP 51 HH2 TRP 51 5.168 1.658 5.751 404 H TYR 52 H TYR 52 4.847 -2.212 -0.971 405 HA TYR 52 HA TYR 52 6.339 -3.091 -3.315 406 HB2 TYR 52 2HB TYR 52 3.481 -3.559 -3.771 407 HB3 TYR 52 3HB TYR 52 4.922 -4.452 -4.262 408 HD1 TYR 52 HD2 TYR 52 2.617 -4.053 -1.299 409 HD2 TYR 52 HD1 TYR 52 5.383 -6.538 -3.465 410 HE1 TYR 52 HE2 TYR 52 1.918 -6.055 0.065 411 HE2 TYR 52 HE1 TYR 52 4.654 -8.517 -2.139 412 HH TYR 52 HH TYR 52 3.353 -9.289 -0.469 413 H HIS 53 H HIS 53 5.631 -1.916 -5.262 414 HA HIS 53 HA HIS 53 4.955 0.870 -4.897 415 HB2 HIS 53 2HB HIS 53 4.545 -0.879 -7.358 416 HB3 HIS 53 3HB HIS 53 4.456 0.860 -7.322 417 HD2 HIS 53 HD2 HIS 53 6.738 2.249 -6.760 418 HE1 HIS 53 HE1 HIS 53 9.362 -0.764 -8.237 419 HE2 HIS 53 HE2 HIS 53 9.173 1.685 -7.597 420 H PHE 54 H PHE 54 2.927 1.976 -5.477 421 HA PHE 54 HA PHE 54 0.671 1.026 -4.164 422 HB2 PHE 54 2HB PHE 54 0.813 3.328 -4.694 423 HB3 PHE 54 3HB PHE 54 0.969 3.017 -6.419 424 HD1 PHE 54 HD2 PHE 54 -1.496 2.285 -3.623 425 HD2 PHE 54 HD1 PHE 54 -0.913 3.372 -7.760 426 HE1 PHE 54 HE2 PHE 54 -3.955 2.308 -3.974 427 HE2 PHE 54 HE1 PHE 54 -3.378 3.445 -8.074 428 HZ PHE 54 HZ PHE 54 -4.889 2.847 -6.203 429 H SER 55 H SER 55 1.422 0.535 -7.677 430 HA SER 55 HA SER 55 -1.105 -0.828 -8.222 431 HB2 SER 55 2HB SER 55 -0.030 -1.253 -10.433 432 HB3 SER 55 3HB SER 55 -0.141 0.459 -9.980 433 HG SER 55 HG SER 55 1.942 -0.047 -10.787 434 H CYS 56 HN CYS 56 2.319 -1.786 -7.735 435 HA CYS 56 HA CYS 56 2.150 -4.470 -8.288 436 HB2 CYS 56 2HB CYS 56 3.830 -2.970 -6.296 437 HB3 CYS 56 3HB CYS 56 4.056 -4.678 -6.666 438 H PHE 57 H PHE 57 1.213 -2.921 -5.222 439 HA PHE 57 HA PHE 57 0.687 -5.134 -3.549 440 HB2 PHE 57 2HB PHE 57 0.549 -2.878 -2.794 441 HB3 PHE 57 3HB PHE 57 -0.768 -2.504 -3.903 442 HD1 PHE 57 HD2 PHE 57 -3.020 -3.618 -3.601 443 HD2 PHE 57 HD1 PHE 57 0.079 -3.837 -0.615 444 HE1 PHE 57 HE2 PHE 57 -4.681 -4.394 -1.955 445 HE2 PHE 57 HE1 PHE 57 -1.632 -4.430 1.082 446 HZ PHE 57 HZ PHE 57 -4.001 -4.785 0.399 447 H TRP 58 H TRP 58 -1.516 -3.660 -5.998 448 HA TRP 58 HA TRP 58 -3.600 -5.627 -5.564 449 HB2 TRP 58 2HB TRP 58 -3.270 -3.746 -7.896 450 HB3 TRP 58 3HB TRP 58 -4.736 -4.542 -7.341 451 HD1 TRP 58 HD1 TRP 58 -2.588 -1.548 -6.833 452 HE1 TRP 58 HE1 TRP 58 -3.420 -0.013 -4.975 453 HE3 TRP 58 HE3 TRP 58 -6.387 -4.483 -5.028 454 HZ2 TRP 58 HZ2 TRP 58 -5.519 -0.042 -2.946 455 HZ3 TRP 58 HZ3 TRP 58 -7.798 -3.676 -3.177 456 HH2 TRP 58 HH2 TRP 58 -7.345 -1.471 -2.117 457 H LYS 59 H LYS 59 -0.831 -5.381 -7.725 458 HA LYS 59 HA LYS 59 -1.516 -7.592 -9.487 459 HB2 LYS 59 2HB LYS 59 1.139 -6.289 -8.806 460 HB3 LYS 59 3HB LYS 59 0.937 -7.523 -10.039 461 HG2 LYS 59 2HG LYS 59 -0.294 -6.158 -11.462 462 HG3 LYS 59 3HG LYS 59 -0.763 -5.034 -10.184 463 HD2 LYS 59 2HD LYS 59 0.898 -4.151 -11.839 464 HD3 LYS 59 3HD LYS 59 1.281 -3.949 -10.145 465 HE2 LYS 59 2HE LYS 59 2.789 -6.011 -10.341 466 HE3 LYS 59 3HE LYS 59 2.519 -5.926 -12.091 467 HZ1 LYS 59 3HZ LYS 59 3.371 -3.595 -11.952 468 HZ2 LYS 59 1HZ LYS 59 3.761 -3.839 -10.362 469 HZ3 LYS 59 2HZ LYS 59 4.505 -4.705 -11.527 470 H VAL 60 H VAL 60 -0.237 -7.517 -6.189 471 HA VAL 60 HA VAL 60 0.583 -10.317 -6.179 472 HB VAL 60 HB VAL 60 -0.508 -8.764 -3.817 473 HG11 VAL 60 1HG1 VAL 60 -0.264 -11.180 -3.347 474 HG12 VAL 60 2HG1 VAL 60 1.397 -11.145 -3.976 475 HG13 VAL 60 3HG1 VAL 60 0.969 -10.269 -2.492 476 HG21 VAL 60 3HG2 VAL 60 1.882 -8.319 -3.245 477 HG22 VAL 60 1HG2 VAL 60 2.351 -8.902 -4.858 478 HG23 VAL 60 2HG2 VAL 60 1.331 -7.458 -4.655 479 H GLY 61 H GLY 61 -2.543 -8.792 -6.316 480 HA2 GLY 61 2HA GLY 61 -4.473 -9.919 -7.002 481 HA3 GLY 61 3HA GLY 61 -3.878 -11.437 -6.334 482 H HIS 62 H HIS 62 -3.545 -8.892 -4.060 483 HA HIS 62 HA HIS 62 -5.771 -9.888 -2.421 484 HB2 HIS 62 2HB HIS 62 -3.674 -7.741 -1.967 485 HB3 HIS 62 3HB HIS 62 -4.982 -8.077 -0.836 486 HD2 HIS 62 HD2 HIS 62 -1.720 -9.603 -2.150 487 HE1 HIS 62 HE1 HIS 62 -2.976 -12.050 1.103 488 HE2 HIS 62 HE2 HIS 62 -1.094 -11.604 -0.551 489 H SER 63 H SER 63 -7.539 -8.784 -1.736 490 HA SER 63 HA SER 63 -8.261 -6.176 -2.976 491 HB2 SER 63 2HB SER 63 -10.076 -8.612 -2.776 492 HB3 SER 63 3HB SER 63 -10.625 -6.966 -3.132 493 HG SER 63 HG SER 63 -8.792 -8.514 -4.671 494 H ILE 64 H ILE 64 -9.705 -4.912 -1.698 495 HA ILE 64 HA ILE 64 -9.405 -5.504 1.221 496 HB ILE 64 HB ILE 64 -9.095 -2.800 -0.109 497 HG12 ILE 64 2HG1 ILE 64 -6.902 -4.764 0.672 498 HG13 ILE 64 3HG1 ILE 64 -7.276 -4.177 -0.943 499 HG21 ILE 64 1HG2 ILE 64 -8.371 -3.803 2.679 500 HG22 ILE 64 2HG2 ILE 64 -8.094 -2.175 2.051 501 HG23 ILE 64 3HG2 ILE 64 -9.748 -2.750 2.272 502 HD11 ILE 64 3HD1 ILE 64 -6.816 -1.791 0.062 503 HD12 ILE 64 1HD1 ILE 64 -5.932 -2.722 1.301 504 HD13 ILE 64 2HD1 ILE 64 -5.480 -2.841 -0.401 505 H ARG 65 H ARG 65 -11.254 -5.605 2.240 506 HA ARG 65 HA ARG 65 -13.743 -4.788 0.920 507 HB2 ARG 65 2HB ARG 65 -14.788 -5.924 2.979 508 HB3 ARG 65 3HB ARG 65 -14.030 -6.892 1.738 509 HG2 ARG 65 2HG ARG 65 -12.417 -6.096 4.173 510 HG3 ARG 65 3HG ARG 65 -13.630 -7.359 4.320 511 HD2 ARG 65 2HD ARG 65 -11.451 -7.449 2.193 512 HD3 ARG 65 3HD ARG 65 -11.244 -8.143 3.798 513 HE ARG 65 HE ARG 65 -12.894 -9.158 1.588 514 HH11 ARG 65 1HH2 ARG 65 -12.312 -9.494 5.033 515 HH12 ARG 65 2HH2 ARG 65 -13.037 -11.077 5.084 516 HH21 ARG 65 1HH1 ARG 65 -13.806 -11.168 1.736 517 HH22 ARG 65 2HH1 ARG 65 -13.856 -11.991 3.266 518 H HIS 66 H HIS 66 -11.870 -3.579 3.537 519 HA HIS 66 HA HIS 66 -13.554 -1.179 3.749 520 HB2 HIS 66 2HB HIS 66 -13.548 -1.338 6.279 521 HB3 HIS 66 3HB HIS 66 -14.717 -2.265 5.374 522 HD2 HIS 66 HD2 HIS 66 -11.259 -3.926 5.720 523 HE1 HIS 66 HE1 HIS 66 -13.861 -5.845 8.495 524 HE2 HIS 66 HE2 HIS 66 -11.561 -5.919 7.409 525 HA PRO 67 HA PRO 67 -9.046 -0.844 3.588 526 HB2 PRO 67 2HB PRO 67 -8.788 1.455 2.033 527 HB3 PRO 67 3HB PRO 67 -9.081 -0.179 1.366 528 HG2 PRO 67 2HG PRO 67 -11.132 1.942 2.040 529 HG3 PRO 67 3HG PRO 67 -10.973 1.011 0.510 530 HD2 PRO 67 2HD PRO 67 -12.746 0.281 2.384 531 HD3 PRO 67 3HD PRO 67 -11.760 -0.978 1.573 532 H ASP 68 H ASP 68 -11.165 1.847 4.582 533 HA ASP 68 HA ASP 68 -8.999 3.219 5.953 534 HB2 ASP 68 2HB ASP 68 -10.768 4.646 6.888 535 HB3 ASP 68 3HB ASP 68 -10.819 4.521 5.137 536 H VAL 69 H VAL 69 -10.563 0.337 6.649 537 HA VAL 69 HA VAL 69 -10.149 0.536 9.583 538 HB VAL 69 HB VAL 69 -11.437 -1.701 7.979 539 HG11 VAL 69 1HG1 VAL 69 -11.329 -1.196 10.978 540 HG12 VAL 69 2HG1 VAL 69 -12.288 -2.459 10.168 541 HG13 VAL 69 3HG1 VAL 69 -10.528 -2.520 10.097 542 HG21 VAL 69 3HG2 VAL 69 -12.726 0.506 9.640 543 HG22 VAL 69 1HG2 VAL 69 -12.834 0.326 7.876 544 HG23 VAL 69 2HG2 VAL 69 -13.573 -0.887 8.925 545 H GLU 70 H GLU 70 -9.138 -1.342 6.703 546 HA GLU 70 HA GLU 70 -7.110 -2.756 8.387 547 HB2 GLU 70 2HB GLU 70 -8.473 -3.445 5.766 548 HB3 GLU 70 3HB GLU 70 -7.095 -4.356 6.367 549 HG2 GLU 70 2HG GLU 70 -9.704 -3.972 7.880 550 HG3 GLU 70 3HG GLU 70 -9.278 -5.390 6.919 551 H VAL 71 H VAL 71 -7.092 -0.425 5.810 552 HA VAL 71 HA VAL 71 -4.195 -0.872 5.227 553 HB VAL 71 HB VAL 71 -5.919 1.342 4.157 554 HG11 VAL 71 1HG1 VAL 71 -3.297 0.038 3.306 555 HG12 VAL 71 2HG1 VAL 71 -4.120 1.436 2.562 556 HG13 VAL 71 3HG1 VAL 71 -3.433 1.562 4.204 557 HG21 VAL 71 3HG2 VAL 71 -5.205 -1.391 2.989 558 HG22 VAL 71 1HG2 VAL 71 -6.833 -0.866 3.427 559 HG23 VAL 71 2HG2 VAL 71 -5.987 -0.059 2.097 560 H ASP 72 H ASP 72 -3.174 -0.580 7.076 561 HA ASP 72 HA ASP 72 -3.353 1.651 8.863 562 HB2 ASP 72 2HB ASP 72 -2.191 -0.493 9.278 563 HB3 ASP 72 3HB ASP 72 -1.004 -0.106 8.034 564 H GLY 73 H GLY 73 -2.386 3.682 8.781 565 HA2 GLY 73 2HA GLY 73 -1.026 5.424 8.039 566 HA3 GLY 73 3HA GLY 73 -0.411 4.393 6.749 567 H PHE 74 H PHE 74 -3.651 4.168 6.273 568 HA PHE 74 HA PHE 74 -3.910 5.920 4.045 569 HB2 PHE 74 2HB PHE 74 -5.317 3.946 4.598 570 HB3 PHE 74 3HB PHE 74 -5.933 4.764 6.024 571 HD1 PHE 74 HD1 PHE 74 -6.025 4.670 2.306 572 HD2 PHE 74 HD2 PHE 74 -7.760 6.330 5.891 573 HE1 PHE 74 HE1 PHE 74 -8.009 5.428 1.006 574 HE2 PHE 74 HE2 PHE 74 -9.737 7.080 4.582 575 HZ PHE 74 HZ PHE 74 -9.862 6.623 2.151 576 H SER 75 H SER 75 -4.353 6.627 7.497 577 HA SER 75 HA SER 75 -5.518 9.240 7.177 578 HB2 SER 75 2HB SER 75 -3.892 8.065 9.458 579 HB3 SER 75 3HB SER 75 -4.911 9.519 9.541 580 HG SER 75 HG SER 75 -6.010 7.654 10.309 581 H GLU 76 H GLU 76 -2.273 8.181 6.568 582 HA GLU 76 HA GLU 76 -1.008 10.801 7.079 583 HB2 GLU 76 2HB GLU 76 0.126 8.306 5.757 584 HB3 GLU 76 3HB GLU 76 1.020 9.729 6.266 585 HG2 GLU 76 2HG GLU 76 0.547 9.285 8.617 586 HG3 GLU 76 3HG GLU 76 -0.511 7.935 8.199 587 H LEU 77 H LEU 77 -2.663 9.240 4.490 588 HA LEU 77 HA LEU 77 -1.496 10.664 2.230 589 HB2 LEU 77 2HB LEU 77 -3.981 8.981 2.687 590 HB3 LEU 77 3HB LEU 77 -3.714 9.797 1.169 591 HG LEU 77 HG LEU 77 -1.847 8.501 0.605 592 HD11 LEU 77 1HD1 LEU 77 -0.935 6.677 1.938 593 HD12 LEU 77 2HD1 LEU 77 -0.646 8.243 2.696 594 HD13 LEU 77 3HD1 LEU 77 -1.934 7.185 3.320 595 HD21 LEU 77 3HD2 LEU 77 -2.845 6.281 0.503 596 HD22 LEU 77 1HD2 LEU 77 -3.969 6.703 1.814 597 HD23 LEU 77 2HD2 LEU 77 -4.073 7.525 0.244 598 H ARG 78 H ARG 78 -3.052 11.956 0.787 599 HA ARG 78 HA ARG 78 -5.018 13.606 2.321 600 HB2 ARG 78 2HB ARG 78 -3.324 14.453 -0.076 601 HB3 ARG 78 3HB ARG 78 -4.652 15.404 0.578 602 HG2 ARG 78 2HG ARG 78 -2.120 14.635 2.090 603 HG3 ARG 78 3HG ARG 78 -2.482 16.215 1.400 604 HD2 ARG 78 2HD ARG 78 -4.391 16.504 2.909 605 HD3 ARG 78 3HD ARG 78 -4.176 14.902 3.587 606 HE ARG 78 HE ARG 78 -2.573 17.283 4.168 607 HH11 ARG 78 1HH2 ARG 78 -2.674 13.768 4.510 608 HH12 ARG 78 2HH2 ARG 78 -1.327 13.768 5.607 609 HH21 ARG 78 1HH1 ARG 78 -0.957 17.185 5.687 610 HH22 ARG 78 2HH1 ARG 78 -0.470 15.652 6.346 611 H TRP 79 H TRP 79 -6.698 14.540 0.964 612 HA TRP 79 HA TRP 79 -8.381 12.439 0.728 613 HB2 TRP 79 2HB TRP 79 -9.722 14.169 1.025 614 HB3 TRP 79 3HB TRP 79 -8.549 15.300 0.392 615 HD1 TRP 79 HD1 TRP 79 -11.728 13.498 -0.556 616 HE1 TRP 79 HE1 TRP 79 -12.567 14.324 -2.837 617 HE3 TRP 79 HE3 TRP 79 -7.643 16.223 -1.971 618 HZ2 TRP 79 HZ2 TRP 79 -11.616 16.040 -4.971 619 HZ3 TRP 79 HZ3 TRP 79 -7.616 17.436 -4.130 620 HH2 TRP 79 HH2 TRP 79 -9.598 17.355 -5.644 621 H ASP 80 H ASP 80 -6.665 13.889 -2.042 622 HA ASP 80 HA ASP 80 -8.211 12.547 -4.022 623 HB2 ASP 80 2HB ASP 80 -6.893 14.622 -4.402 624 HB3 ASP 80 3HB ASP 80 -5.415 13.658 -4.325 625 H ASP 81 H ASP 81 -5.448 11.452 -2.149 626 HA ASP 81 HA ASP 81 -4.993 9.100 -3.892 627 HB2 ASP 81 2HB ASP 81 -3.554 10.126 -1.428 628 HB3 ASP 81 3HB ASP 81 -3.236 8.558 -2.176 629 H GLN 82 H GLN 82 -6.303 10.022 -0.681 630 HA GLN 82 HA GLN 82 -7.057 7.436 0.204 631 HB2 GLN 82 2HB GLN 82 -8.285 10.189 0.579 632 HB3 GLN 82 3HB GLN 82 -8.930 8.757 1.376 633 HG2 GLN 82 2HG GLN 82 -6.810 8.342 2.508 634 HG3 GLN 82 3HG GLN 82 -6.048 9.688 1.661 635 HE21 GLN 82 2HE2 GLN 82 -6.054 9.505 4.483 636 HE22 GLN 82 1HE2 GLN 82 -7.018 10.863 5.073 637 H GLN 83 H GLN 83 -9.036 9.770 -1.786 638 HA GLN 83 HA GLN 83 -11.140 7.886 -2.154 639 HB2 GLN 83 2HB GLN 83 -12.111 9.391 -3.670 640 HB3 GLN 83 3HB GLN 83 -11.344 10.350 -2.406 641 HG2 GLN 83 2HG GLN 83 -9.410 10.737 -3.980 642 HG3 GLN 83 3HG GLN 83 -10.300 9.901 -5.245 643 HE21 GLN 83 2HE2 GLN 83 -9.520 12.543 -5.801 644 HE22 GLN 83 1HE2 GLN 83 -10.954 13.545 -5.701 645 H LYS 84 H LYS 84 -8.080 8.127 -3.870 646 HA LYS 84 HA LYS 84 -8.911 6.538 -6.175 647 HB2 LYS 84 2HB LYS 84 -7.403 8.365 -6.462 648 HB3 LYS 84 3HB LYS 84 -6.337 7.797 -5.187 649 HG2 LYS 84 2HG LYS 84 -6.798 6.078 -7.623 650 HG3 LYS 84 3HG LYS 84 -5.749 7.486 -7.741 651 HD2 LYS 84 2HD LYS 84 -5.412 5.207 -5.770 652 HD3 LYS 84 3HD LYS 84 -4.483 5.437 -7.256 653 HE2 LYS 84 2HE LYS 84 -4.448 7.162 -4.748 654 HE3 LYS 84 3HE LYS 84 -3.193 6.054 -5.280 655 HZ1 LYS 84 3HZ LYS 84 -2.705 7.486 -7.130 656 HZ2 LYS 84 1HZ LYS 84 -4.005 8.445 -6.848 657 HZ3 LYS 84 2HZ LYS 84 -2.773 8.443 -5.787 658 H VAL 85 H VAL 85 -7.105 6.094 -3.123 659 HA VAL 85 HA VAL 85 -6.536 3.263 -3.534 660 HB VAL 85 HB VAL 85 -6.734 5.008 -1.045 661 HG11 VAL 85 1HG1 VAL 85 -7.287 2.766 -0.246 662 HG12 VAL 85 2HG1 VAL 85 -5.923 2.069 -1.155 663 HG13 VAL 85 3HG1 VAL 85 -5.634 3.156 0.217 664 HG21 VAL 85 3HG2 VAL 85 -4.354 4.884 -0.976 665 HG22 VAL 85 1HG2 VAL 85 -4.294 3.613 -2.206 666 HG23 VAL 85 2HG2 VAL 85 -4.753 5.264 -2.656 667 H LYS 86 H LYS 86 -9.251 4.971 -1.853 668 HA LYS 86 HA LYS 86 -10.717 2.551 -1.322 669 HB2 LYS 86 2HB LYS 86 -11.718 5.421 -1.589 670 HB3 LYS 86 3HB LYS 86 -12.687 4.040 -1.063 671 HG2 LYS 86 2HG LYS 86 -10.760 3.680 0.706 672 HG3 LYS 86 3HG LYS 86 -10.320 5.323 0.330 673 HD2 LYS 86 2HD LYS 86 -11.686 5.288 2.320 674 HD3 LYS 86 3HD LYS 86 -12.596 6.095 1.026 675 HE2 LYS 86 2HE LYS 86 -13.922 4.105 0.655 676 HE3 LYS 86 3HE LYS 86 -12.851 3.143 1.690 677 HZ1 LYS 86 3HZ LYS 86 -13.669 4.201 3.611 678 HZ2 LYS 86 1HZ LYS 86 -14.437 5.401 2.769 679 HZ3 LYS 86 2HZ LYS 86 -14.997 3.865 2.745 680 H LYS 87 H LYS 87 -10.924 4.783 -4.139 681 HA LYS 87 HA LYS 87 -12.864 3.282 -5.602 682 HB2 LYS 87 2HB LYS 87 -12.230 5.476 -6.306 683 HB3 LYS 87 3HB LYS 87 -10.542 5.047 -6.475 684 HG2 LYS 87 2HG LYS 87 -12.714 3.819 -8.215 685 HG3 LYS 87 3HG LYS 87 -11.992 5.376 -8.582 686 HD2 LYS 87 2HD LYS 87 -10.514 2.713 -8.552 687 HD3 LYS 87 3HD LYS 87 -10.988 3.655 -9.947 688 HE2 LYS 87 2HE LYS 87 -9.477 5.454 -9.385 689 HE3 LYS 87 3HE LYS 87 -9.080 4.724 -7.823 690 HZ1 LYS 87 3HZ LYS 87 -8.488 3.375 -10.395 691 HZ2 LYS 87 1HZ LYS 87 -7.408 4.306 -9.600 692 HZ3 LYS 87 2HZ LYS 87 -7.954 2.949 -8.889 693 H THR 88 H THR 88 -9.296 2.870 -5.559 694 HA THR 88 HA THR 88 -9.287 0.704 -7.392 695 HB THR 88 HB THR 88 -7.198 1.361 -5.306 696 HG1 THR 88 1HG THR 88 -7.462 3.097 -6.574 697 HG21 THR 88 1HG2 THR 88 -7.063 -0.106 -7.976 698 HG22 THR 88 2HG2 THR 88 -5.677 0.340 -6.951 699 HG23 THR 88 3HG2 THR 88 -6.844 -0.857 -6.378 700 H ALA 89 H ALA 89 -9.780 0.707 -3.878 701 HA ALA 89 HA ALA 89 -9.633 -2.159 -3.538 702 HB1 ALA 89 1HB ALA 89 -10.960 0.014 -1.865 703 HB2 ALA 89 2HB ALA 89 -10.603 -1.641 -1.355 704 HB3 ALA 89 3HB ALA 89 -9.273 -0.522 -1.720 705 H GLU 90 H GLU 90 -12.287 0.196 -4.175 706 HA GLU 90 HA GLU 90 -14.366 -1.798 -4.236 707 HB2 GLU 90 2HB GLU 90 -14.230 0.989 -5.461 708 HB3 GLU 90 3HB GLU 90 -15.663 -0.038 -5.491 709 HG2 GLU 90 2HG GLU 90 -15.627 -0.119 -2.988 710 HG3 GLU 90 3HG GLU 90 -14.297 1.039 -3.001 711 H ALA 91 H ALA 91 -12.228 -0.489 -6.709 712 HA ALA 91 HA ALA 91 -13.438 -1.784 -8.965 713 HB1 ALA 91 1HB ALA 91 -11.418 -0.898 -10.114 714 HB2 ALA 91 2HB ALA 91 -12.160 0.329 -9.066 715 HB3 ALA 91 3HB ALA 91 -10.695 -0.513 -8.535 716 H GLY 92 H GLY 92 -11.503 -3.121 -6.488 717 HA2 GLY 92 2HA GLY 92 -10.630 -5.238 -6.220 718 HA3 GLY 92 3HA GLY 92 -11.231 -5.684 -7.819 719 H GLY 93 H GLY 93 -9.017 -2.937 -7.296 720 HA2 GLY 93 2HA GLY 93 -6.670 -3.018 -7.305 721 HA3 GLY 93 3HA GLY 93 -6.686 -4.511 -8.236 722 H VAL 94 H VAL 94 -5.197 -2.166 -8.650 723 HA VAL 94 HA VAL 94 -5.842 -1.723 -11.528 724 HB VAL 94 HB VAL 94 -6.087 0.388 -10.212 725 HG11 VAL 94 1HG1 VAL 94 -4.153 0.004 -8.615 726 HG12 VAL 94 2HG1 VAL 94 -3.048 0.342 -9.958 727 HG13 VAL 94 3HG1 VAL 94 -4.175 1.592 -9.400 728 HG21 VAL 94 3HG2 VAL 94 -4.911 1.782 -11.809 729 HG22 VAL 94 1HG2 VAL 94 -3.846 0.447 -12.279 730 HG23 VAL 94 2HG2 VAL 94 -5.587 0.373 -12.642 731 H THR 95 H THR 95 -4.160 -1.986 -12.984 732 HA THR 95 HA THR 95 -1.638 -3.167 -11.898 733 HB THR 95 HB THR 95 -1.682 -4.787 -13.716 734 HG1 THR 95 1HG THR 95 -3.580 -5.004 -14.940 735 HG21 THR 95 1HG2 THR 95 -4.338 -4.859 -12.209 736 HG22 THR 95 2HG2 THR 95 -3.429 -6.236 -12.871 737 HG23 THR 95 3HG2 THR 95 -2.782 -5.319 -11.500 738 H GLY 96 H GLY 96 0.223 -3.091 -13.236 739 HA2 GLY 96 2HA GLY 96 0.527 -1.573 -15.606 740 HA3 GLY 96 3HA GLY 96 0.774 -0.498 -14.225 741 H LYS 97 H LYS 97 2.758 -1.261 -16.185 742 HA LYS 97 HA LYS 97 4.623 -3.116 -14.783 743 HB2 LYS 97 2HB LYS 97 4.725 -1.866 -17.553 744 HB3 LYS 97 3HB LYS 97 5.965 -2.931 -16.871 745 HG2 LYS 97 2HG LYS 97 4.251 -4.724 -16.576 746 HG3 LYS 97 3HG LYS 97 3.051 -3.700 -17.370 747 HD2 LYS 97 2HD LYS 97 5.643 -4.689 -18.640 748 HD3 LYS 97 3HD LYS 97 4.044 -5.408 -18.872 749 HE2 LYS 97 2HE LYS 97 3.214 -3.256 -19.823 750 HE3 LYS 97 3HE LYS 97 4.832 -2.563 -19.644 751 HZ1 LYS 97 3HZ LYS 97 4.165 -4.909 -21.341 752 HZ2 LYS 97 1HZ LYS 97 4.480 -3.407 -21.891 753 HZ3 LYS 97 2HZ LYS 97 5.662 -4.272 -21.173 754 H GLY 98 H GLY 98 6.465 -2.516 -13.813 755 HA2 GLY 98 2HA GLY 98 6.846 0.189 -12.950 756 HA3 GLY 98 3HA GLY 98 7.970 -1.147 -12.706 757 H GLN 99 H GLN 99 7.997 1.824 -13.746 758 HA GLN 99 HA GLN 99 9.552 1.465 -16.268 759 HB2 GLN 99 2HB GLN 99 8.448 3.978 -14.965 760 HB3 GLN 99 3HB GLN 99 9.221 3.873 -16.545 761 HG2 GLN 99 2HG GLN 99 6.554 2.635 -15.737 762 HG3 GLN 99 3HG GLN 99 6.795 4.018 -16.788 763 HE21 GLN 99 2HE2 GLN 99 6.082 0.764 -16.869 764 HE22 GLN 99 1HE2 GLN 99 6.680 0.423 -18.496 765 H ASP 100 H ASP 100 9.908 2.742 -12.973 766 HA ASP 100 HA ASP 100 12.808 2.536 -13.061 767 HB2 ASP 100 2HB ASP 100 12.408 4.734 -14.168 768 HB3 ASP 100 3HB ASP 100 11.452 5.256 -12.783 769 H GLY 101 H GLY 101 13.746 2.699 -10.942 770 HA2 GLY 101 2HA GLY 101 12.263 3.504 -8.612 771 HA3 GLY 101 3HA GLY 101 12.323 1.743 -8.728 772 H ILE 102 H ILE 102 13.506 3.565 -6.745 773 HA ILE 102 HA ILE 102 16.176 2.433 -6.624 774 HB ILE 102 HB ILE 102 16.576 4.463 -7.962 775 HG12 ILE 102 2HG1 ILE 102 18.336 5.532 -6.655 776 HG13 ILE 102 3HG1 ILE 102 17.750 4.794 -5.171 777 HG21 ILE 102 1HG2 ILE 102 15.539 6.067 -5.584 778 HG22 ILE 102 2HG2 ILE 102 16.284 6.715 -7.057 779 HG23 ILE 102 3HG2 ILE 102 14.728 5.888 -7.157 780 HD11 ILE 102 3HD1 ILE 102 19.731 3.636 -6.136 781 HD12 ILE 102 1HD1 ILE 102 18.342 2.547 -6.044 782 HD13 ILE 102 2HD1 ILE 102 18.803 3.270 -7.604 783 H GLY 103 H GLY 103 17.004 2.336 -4.532 784 HA2 GLY 103 2HA GLY 103 16.464 3.706 -2.271 785 HA3 GLY 103 3HA GLY 103 15.072 2.618 -2.335 786 H SER 104 H SER 104 16.988 2.661 -0.286 787 HA SER 104 HA SER 104 18.413 1.443 0.976 788 HB2 SER 104 2HB SER 104 16.990 -0.893 -0.327 789 HB3 SER 104 3HB SER 104 17.877 -0.925 1.209 790 HG SER 104 HG SER 104 15.651 -0.639 1.552 791 H LYS 105 H LYS 105 19.514 2.025 -1.789 792 HA LYS 105 HA LYS 105 21.203 -0.278 -2.386 793 HB2 LYS 105 2HB LYS 105 20.059 1.048 -4.145 794 HB3 LYS 105 3HB LYS 105 21.053 2.444 -3.738 795 HG2 LYS 105 2HG LYS 105 21.905 1.323 -5.727 796 HG3 LYS 105 3HG LYS 105 23.091 1.207 -4.424 797 HD2 LYS 105 2HD LYS 105 22.407 -1.115 -3.969 798 HD3 LYS 105 3HD LYS 105 21.151 -1.017 -5.220 799 HE2 LYS 105 2HE LYS 105 22.823 -0.803 -6.967 800 HE3 LYS 105 3HE LYS 105 24.107 -0.550 -5.772 801 HZ1 LYS 105 3HZ LYS 105 24.185 -2.841 -6.498 802 HZ2 LYS 105 1HZ LYS 105 23.737 -2.779 -4.954 803 HZ3 LYS 105 2HZ LYS 105 22.600 -3.086 -6.111 804 H ALA 106 H ALA 106 22.175 -0.216 -0.252 805 HA ALA 106 HA ALA 106 24.346 1.754 0.131 806 HB1 ALA 106 1HB ALA 106 22.794 1.231 1.978 807 HB2 ALA 106 2HB ALA 106 23.303 -0.473 1.930 808 HB3 ALA 106 3HB ALA 106 24.462 0.792 2.389 809 H GLU 107 H GLU 107 24.115 -1.331 -1.302 810 HA GLU 107 HA GLU 107 27.073 -1.700 -1.203 811 HB2 GLU 107 2HB GLU 107 24.990 -3.889 -0.818 812 HB3 GLU 107 3HB GLU 107 26.713 -4.157 -1.106 813 HG2 GLU 107 2HG GLU 107 27.244 -2.881 0.978 814 HG3 GLU 107 3HG GLU 107 25.514 -2.729 1.305 815 H LYS 108 H LYS 108 27.985 -2.639 -3.040 816 HA LYS 108 HA LYS 108 26.768 -1.840 -5.515 817 HB2 LYS 108 2HB LYS 108 29.310 -3.406 -4.930 818 HB3 LYS 108 3HB LYS 108 28.822 -2.836 -6.530 819 HG2 LYS 108 2HG LYS 108 28.861 -0.488 -5.737 820 HG3 LYS 108 3HG LYS 108 29.304 -1.029 -4.116 821 HD2 LYS 108 2HD LYS 108 31.280 -0.233 -5.228 822 HD3 LYS 108 3HD LYS 108 31.419 -1.983 -5.001 823 HE2 LYS 108 2HE LYS 108 30.747 -2.344 -7.368 824 HE3 LYS 108 3HE LYS 108 30.556 -0.600 -7.586 825 HZ1 LYS 108 3HZ LYS 108 33.114 -1.965 -6.926 826 HZ2 LYS 108 1HZ LYS 108 32.715 -1.367 -8.390 827 HZ3 LYS 108 2HZ LYS 108 32.939 -0.353 -7.133 Start of MODEL 10 1 H1 MET 1 H1 MET 1 -2.265 -2.171 25.700 2 H2 MET 1 H2 MET 1 -1.107 -1.427 26.584 3 H3 MET 1 H3 MET 1 -1.224 -3.058 26.603 4 HA MET 1 HA MET 1 0.637 -2.363 25.247 5 HB2 MET 1 2HB MET 1 -0.464 -4.471 24.677 6 HB3 MET 1 3HB MET 1 -1.663 -3.627 23.697 7 HG2 MET 1 2HG MET 1 0.096 -4.698 22.335 8 HG3 MET 1 3HG MET 1 -0.004 -2.966 22.088 9 HE1 MET 1 1HE MET 1 2.105 -5.977 23.331 10 HE2 MET 1 2HE MET 1 3.470 -5.217 24.177 11 HE3 MET 1 3HE MET 1 1.849 -5.178 24.900 12 H ALA 2 H ALA 2 1.519 -0.812 23.999 13 HA ALA 2 HA ALA 2 -0.230 1.322 22.922 14 HB1 ALA 2 1HB ALA 2 1.601 1.876 24.477 15 HB2 ALA 2 2HB ALA 2 2.782 1.178 23.342 16 HB3 ALA 2 3HB ALA 2 1.848 2.617 22.884 17 H GLU 3 H GLU 3 1.617 -1.349 21.674 18 HA GLU 3 HA GLU 3 1.897 -0.168 18.966 19 HB2 GLU 3 2HB GLU 3 2.911 -2.785 20.135 20 HB3 GLU 3 3HB GLU 3 3.207 -2.207 18.491 21 HG2 GLU 3 2HG GLU 3 4.300 -0.156 19.437 22 HG3 GLU 3 3HG GLU 3 4.120 -0.832 21.055 23 H SER 4 H SER 4 1.392 -1.593 17.073 24 HA SER 4 HA SER 4 -0.992 -3.335 17.414 25 HB2 SER 4 2HB SER 4 -2.073 -1.295 16.993 26 HB3 SER 4 3HB SER 4 -0.872 -0.787 15.796 27 HG SER 4 HG SER 4 -3.062 -1.739 15.125 28 H SER 5 H SER 5 -1.040 -5.006 16.164 29 HA SER 5 HA SER 5 0.449 -5.136 13.581 30 HB2 SER 5 2HB SER 5 0.316 -7.324 15.694 31 HB3 SER 5 3HB SER 5 0.844 -7.569 14.023 32 HG SER 5 HG SER 5 2.049 -5.775 15.866 33 H ASP 6 H ASP 6 -2.335 -4.536 14.518 34 HA ASP 6 HA ASP 6 -3.711 -7.010 14.019 35 HB2 ASP 6 2HB ASP 6 -4.600 -4.383 15.259 36 HB3 ASP 6 3HB ASP 6 -5.588 -5.844 15.207 37 H LYS 7 H LYS 7 -2.852 -5.907 11.643 38 HA LYS 7 HA LYS 7 -5.306 -5.512 10.046 39 HB2 LYS 7 2HB LYS 7 -4.104 -3.792 8.710 40 HB3 LYS 7 3HB LYS 7 -4.561 -3.267 10.317 41 HG2 LYS 7 2HG LYS 7 -1.860 -4.495 10.117 42 HG3 LYS 7 3HG LYS 7 -2.057 -2.989 9.205 43 HD2 LYS 7 2HD LYS 7 -2.745 -1.813 11.205 44 HD3 LYS 7 3HD LYS 7 -2.776 -3.301 12.148 45 HE2 LYS 7 2HE LYS 7 -0.377 -3.586 11.965 46 HE3 LYS 7 3HE LYS 7 -0.256 -2.297 10.760 47 HZ1 LYS 7 3HZ LYS 7 0.379 -1.615 13.056 48 HZ2 LYS 7 1HZ LYS 7 -0.790 -0.682 12.368 49 HZ3 LYS 7 2HZ LYS 7 -1.182 -1.795 13.530 50 H LEU 8 H LEU 8 -4.618 -5.666 7.671 51 HA LEU 8 HA LEU 8 -2.664 -7.910 7.255 52 HB2 LEU 8 2HB LEU 8 -4.993 -6.953 5.530 53 HB3 LEU 8 3HB LEU 8 -3.997 -8.369 5.221 54 HG LEU 8 HG LEU 8 -5.926 -8.064 7.572 55 HD11 LEU 8 1HD1 LEU 8 -7.354 -9.584 6.279 56 HD12 LEU 8 2HD1 LEU 8 -7.040 -8.076 5.392 57 HD13 LEU 8 3HD1 LEU 8 -6.179 -9.561 4.938 58 HD21 LEU 8 3HD2 LEU 8 -4.083 -9.622 8.057 59 HD22 LEU 8 1HD2 LEU 8 -5.600 -10.504 7.810 60 HD23 LEU 8 2HD2 LEU 8 -4.374 -10.469 6.520 61 H TYR 9 H TYR 9 -3.405 -4.574 6.578 62 HA TYR 9 HA TYR 9 -1.520 -4.519 4.287 63 HB2 TYR 9 2HB TYR 9 -4.285 -3.292 4.342 64 HB3 TYR 9 3HB TYR 9 -3.164 -3.305 2.983 65 HD1 TYR 9 HD2 TYR 9 -2.353 -6.127 2.817 66 HD2 TYR 9 HD1 TYR 9 -6.195 -4.401 3.668 67 HE1 TYR 9 HE2 TYR 9 -3.458 -8.225 2.037 68 HE2 TYR 9 HE1 TYR 9 -7.307 -6.491 2.910 69 HH TYR 9 HH TYR 9 -7.012 -8.513 1.889 70 H ARG 10 H ARG 10 -0.686 -2.532 3.804 71 HA ARG 10 HA ARG 10 -0.955 -0.316 5.760 72 HB2 ARG 10 2HB ARG 10 0.815 -1.622 6.665 73 HB3 ARG 10 3HB ARG 10 1.481 -1.974 5.092 74 HG2 ARG 10 2HG ARG 10 2.964 -0.518 6.264 75 HG3 ARG 10 3HG ARG 10 2.311 0.354 4.883 76 HD2 ARG 10 2HD ARG 10 1.002 1.760 6.198 77 HD3 ARG 10 3HD ARG 10 0.954 0.644 7.566 78 HE ARG 10 HE ARG 10 3.423 1.191 7.869 79 HH11 ARG 10 1HH2 ARG 10 1.374 3.664 6.394 80 HH12 ARG 10 2HH2 ARG 10 2.059 4.919 7.402 81 HH21 ARG 10 1HH1 ARG 10 4.391 2.941 8.901 82 HH22 ARG 10 2HH1 ARG 10 3.775 4.543 8.588 83 H VAL 11 H VAL 11 -0.572 1.706 4.861 84 HA VAL 11 HA VAL 11 0.654 1.917 2.156 85 HB VAL 11 HB VAL 11 -1.863 1.858 2.044 86 HG11 VAL 11 1HG1 VAL 11 -1.725 4.657 3.232 87 HG12 VAL 11 2HG1 VAL 11 -3.166 3.792 2.656 88 HG13 VAL 11 3HG1 VAL 11 -2.289 3.237 4.098 89 HG21 VAL 11 3HG2 VAL 11 -0.443 2.945 0.250 90 HG22 VAL 11 1HG2 VAL 11 -2.052 3.654 0.404 91 HG23 VAL 11 2HG2 VAL 11 -0.632 4.487 1.077 92 H GLU 12 H GLU 12 1.785 3.873 1.796 93 HA GLU 12 HA GLU 12 1.355 6.089 3.604 94 HB2 GLU 12 2HB GLU 12 3.508 6.465 4.434 95 HB3 GLU 12 3HB GLU 12 3.115 4.802 4.866 96 HG2 GLU 12 2HG GLU 12 4.601 3.914 3.222 97 HG3 GLU 12 3HG GLU 12 4.833 5.476 2.451 98 H TYR 13 H TYR 13 2.286 8.077 2.892 99 HA TYR 13 HA TYR 13 3.391 8.246 0.153 100 HB2 TYR 13 2HB TYR 13 2.769 10.214 2.349 101 HB3 TYR 13 3HB TYR 13 4.043 10.592 1.206 102 HD1 TYR 13 HD2 TYR 13 0.521 9.197 1.013 103 HD2 TYR 13 HD1 TYR 13 3.468 11.912 -0.592 104 HE1 TYR 13 HE2 TYR 13 -1.140 10.028 -0.661 105 HE2 TYR 13 HE1 TYR 13 1.809 12.736 -2.247 106 HH TYR 13 HH TYR 13 -0.320 12.558 -3.046 107 H ALA 14 H ALA 14 5.442 7.878 -0.263 108 HA ALA 14 HA ALA 14 7.069 6.544 1.611 109 HB1 ALA 14 1HB ALA 14 7.569 7.583 -1.204 110 HB2 ALA 14 2HB ALA 14 8.637 6.455 -0.352 111 HB3 ALA 14 3HB ALA 14 6.969 5.981 -0.748 112 H LYS 15 H LYS 15 8.429 7.263 3.094 113 HA LYS 15 HA LYS 15 9.156 10.059 3.336 114 HB2 LYS 15 2HB LYS 15 10.200 7.697 4.951 115 HB3 LYS 15 3HB LYS 15 10.208 9.395 5.418 116 HG2 LYS 15 2HG LYS 15 7.790 7.583 5.117 117 HG3 LYS 15 3HG LYS 15 8.466 8.229 6.611 118 HD2 LYS 15 2HD LYS 15 7.902 10.543 5.848 119 HD3 LYS 15 3HD LYS 15 7.131 9.872 4.402 120 HE2 LYS 15 2HE LYS 15 6.315 9.277 7.276 121 HE3 LYS 15 3HE LYS 15 5.526 10.433 6.194 122 HZ1 LYS 15 3HZ LYS 15 4.318 8.381 6.130 123 HZ2 LYS 15 1HZ LYS 15 5.083 8.537 4.675 124 HZ3 LYS 15 2HZ LYS 15 5.647 7.483 5.785 125 H SER 16 H SER 16 10.975 7.199 2.401 126 HA SER 16 HA SER 16 13.243 8.723 1.348 127 HB2 SER 16 2HB SER 16 13.673 8.491 3.820 128 HB3 SER 16 3HB SER 16 13.736 6.735 3.593 129 HG SER 16 HG SER 16 15.745 8.170 3.446 130 H GLY 17 H GLY 17 14.577 7.377 -0.011 131 HA2 GLY 17 2HA GLY 17 13.014 5.399 -1.438 132 HA3 GLY 17 3HA GLY 17 14.602 6.018 -1.882 133 H ARG 18 H ARG 18 13.567 4.231 1.039 134 HA ARG 18 HA ARG 18 15.853 2.335 0.633 135 HB2 ARG 18 2HB ARG 18 14.480 2.926 3.264 136 HB3 ARG 18 3HB ARG 18 16.076 2.232 2.992 137 HG2 ARG 18 2HG ARG 18 15.213 5.107 2.536 138 HG3 ARG 18 3HG ARG 18 16.248 4.522 3.826 139 HD2 ARG 18 2HD ARG 18 18.075 4.129 2.369 140 HD3 ARG 18 3HD ARG 18 17.065 4.216 0.914 141 HE ARG 18 HE ARG 18 16.727 6.691 2.105 142 HH11 ARG 18 1HH2 ARG 18 19.510 4.989 0.816 143 HH12 ARG 18 2HH2 ARG 18 20.322 6.469 0.382 144 HH21 ARG 18 1HH1 ARG 18 17.809 8.516 1.549 145 HH22 ARG 18 2HH1 ARG 18 19.374 8.424 0.793 146 H ALA 19 H ALA 19 12.452 2.250 0.638 147 HA ALA 19 HA ALA 19 12.245 -0.539 1.562 148 HB1 ALA 19 1HB ALA 19 10.143 1.304 0.367 149 HB2 ALA 19 2HB ALA 19 9.862 -0.260 1.150 150 HB3 ALA 19 3HB ALA 19 10.469 1.102 2.107 151 H SER 20 H SER 20 11.891 -2.311 0.255 152 HA SER 20 HA SER 20 12.486 -1.959 -2.664 153 HB2 SER 20 2HB SER 20 13.192 -4.289 -0.859 154 HB3 SER 20 3HB SER 20 13.520 -4.163 -2.598 155 HG SER 20 HG SER 20 15.337 -3.563 -1.303 156 H CYS 21 HN CYS 21 11.306 -3.072 -4.165 157 HA CYS 21 HA CYS 21 8.607 -3.750 -3.401 158 HB2 CYS 21 2HB CYS 21 9.305 -2.613 -5.478 159 HB3 CYS 21 3HB CYS 21 10.039 -4.120 -6.046 160 H LYS 22 H LYS 22 7.592 -5.609 -3.263 161 HA LYS 22 HA LYS 22 9.181 -8.126 -3.075 162 HB2 LYS 22 2HB LYS 22 6.542 -7.277 -1.828 163 HB3 LYS 22 3HB LYS 22 7.322 -8.826 -1.518 164 HG2 LYS 22 2HG LYS 22 8.711 -6.180 -0.995 165 HG3 LYS 22 3HG LYS 22 7.560 -6.845 0.140 166 HD2 LYS 22 2HD LYS 22 8.908 -8.905 0.343 167 HD3 LYS 22 3HD LYS 22 10.033 -8.294 -0.906 168 HE2 LYS 22 2HE LYS 22 10.575 -6.362 0.553 169 HE3 LYS 22 3HE LYS 22 9.444 -6.963 1.776 170 HZ1 LYS 22 3HZ LYS 22 10.833 -8.951 2.001 171 HZ2 LYS 22 1HZ LYS 22 11.884 -8.403 0.875 172 HZ3 LYS 22 2HZ LYS 22 11.729 -7.618 2.298 173 H LYS 23 H LYS 23 7.394 -6.776 -5.347 174 HA LYS 23 HA LYS 23 6.356 -9.382 -6.439 175 HB2 LYS 23 2HB LYS 23 4.495 -7.980 -5.816 176 HB3 LYS 23 3HB LYS 23 5.183 -6.600 -6.673 177 HG2 LYS 23 2HG LYS 23 3.291 -7.577 -7.842 178 HG3 LYS 23 3HG LYS 23 4.758 -7.635 -8.819 179 HD2 LYS 23 2HD LYS 23 5.025 -10.031 -8.382 180 HD3 LYS 23 3HD LYS 23 3.696 -10.007 -7.212 181 HE2 LYS 23 2HE LYS 23 2.117 -9.362 -8.996 182 HE3 LYS 23 3HE LYS 23 3.440 -9.323 -10.172 183 HZ1 LYS 23 3HZ LYS 23 3.753 -11.710 -9.808 184 HZ2 LYS 23 1HZ LYS 23 2.548 -11.753 -8.704 185 HZ3 LYS 23 2HZ LYS 23 2.213 -11.424 -10.266 186 H CYS 24 HN CYS 24 7.628 -6.153 -7.468 187 HA CYS 24 HA CYS 24 8.624 -7.510 -9.919 188 HB2 CYS 24 2HB CYS 24 8.280 -5.695 -11.157 189 HB3 CYS 24 3HB CYS 24 6.899 -5.663 -10.092 190 H SER 25 H SER 25 9.799 -6.686 -7.016 191 HA SER 25 HA SER 25 11.821 -6.711 -6.082 192 HB2 SER 25 2HB SER 25 12.736 -7.989 -8.663 193 HB3 SER 25 3HB SER 25 13.548 -8.075 -7.090 194 HG SER 25 HG SER 25 12.225 -9.913 -7.493 195 H GLU 26 H GLU 26 11.263 -4.302 -7.912 196 HA GLU 26 HA GLU 26 14.008 -3.145 -8.080 197 HB2 GLU 26 2HB GLU 26 11.278 -2.044 -8.830 198 HB3 GLU 26 3HB GLU 26 12.797 -1.177 -9.037 199 HG2 GLU 26 2HG GLU 26 12.106 -3.814 -10.390 200 HG3 GLU 26 3HG GLU 26 11.923 -2.224 -11.112 201 H SER 27 H SER 27 13.380 -0.469 -7.301 202 HA SER 27 HA SER 27 12.799 -0.759 -4.388 203 HB2 SER 27 2HB SER 27 15.176 -0.441 -4.944 204 HB3 SER 27 3HB SER 27 14.752 1.162 -5.627 205 HG SER 27 HG SER 27 15.449 1.098 -3.361 206 H ILE 28 H ILE 28 11.996 1.096 -3.336 207 HA ILE 28 HA ILE 28 9.909 2.287 -5.070 208 HB ILE 28 HB ILE 28 9.791 1.717 -2.096 209 HG12 ILE 28 2HG1 ILE 28 8.434 0.031 -4.235 210 HG13 ILE 28 3HG1 ILE 28 10.007 -0.404 -3.579 211 HG21 ILE 28 1HG2 ILE 28 7.655 2.422 -4.175 212 HG22 ILE 28 2HG2 ILE 28 7.331 1.977 -2.506 213 HG23 ILE 28 3HG2 ILE 28 8.211 3.473 -2.868 214 HD11 ILE 28 3HD1 ILE 28 7.470 -0.151 -1.937 215 HD12 ILE 28 1HD1 ILE 28 8.324 -1.630 -2.401 216 HD13 ILE 28 2HD1 ILE 28 9.093 -0.485 -1.298 217 HA PRO 29 HA PRO 29 12.278 5.968 -3.948 218 HB2 PRO 29 2HB PRO 29 11.186 7.795 -5.680 219 HB3 PRO 29 3HB PRO 29 12.308 6.501 -6.186 220 HG2 PRO 29 2HG PRO 29 9.274 6.479 -6.286 221 HG3 PRO 29 3HG PRO 29 10.427 6.048 -7.593 222 HD2 PRO 29 2HD PRO 29 9.274 4.157 -6.024 223 HD3 PRO 29 3HD PRO 29 10.976 3.999 -6.555 224 H LYS 30 H LYS 30 12.027 8.017 -2.967 225 HA LYS 30 HA LYS 30 9.748 8.329 -1.187 226 HB2 LYS 30 2HB LYS 30 10.924 10.198 -0.260 227 HB3 LYS 30 3HB LYS 30 12.013 8.829 -0.478 228 HG2 LYS 30 2HG LYS 30 12.893 9.878 -2.565 229 HG3 LYS 30 3HG LYS 30 11.880 11.292 -2.262 230 HD2 LYS 30 2HD LYS 30 14.098 10.227 -0.462 231 HD3 LYS 30 3HD LYS 30 14.242 11.608 -1.537 232 HE2 LYS 30 2HE LYS 30 12.308 11.459 0.826 233 HE3 LYS 30 3HE LYS 30 13.919 12.167 0.895 234 HZ1 LYS 30 3HZ LYS 30 13.214 13.759 -0.831 235 HZ2 LYS 30 1HZ LYS 30 11.692 13.147 -0.826 236 HZ3 LYS 30 2HZ LYS 30 12.283 13.878 0.503 237 H ASP 31 H ASP 31 8.587 10.349 -0.916 238 HA ASP 31 HA ASP 31 6.911 11.680 -1.639 239 HB2 ASP 31 2HB ASP 31 8.914 12.583 -3.731 240 HB3 ASP 31 3HB ASP 31 7.423 13.417 -3.309 241 H SER 32 H SER 32 6.827 9.037 -2.533 242 HA SER 32 HA SER 32 4.828 9.249 -4.714 243 HB2 SER 32 2HB SER 32 7.029 8.361 -5.610 244 HB3 SER 32 3HB SER 32 6.840 6.976 -4.516 245 HG SER 32 HG SER 32 5.988 6.641 -6.674 246 H LEU 33 H LEU 33 3.631 6.912 -4.684 247 HA LEU 33 HA LEU 33 2.752 6.576 -1.856 248 HB2 LEU 33 2HB LEU 33 1.115 7.450 -3.566 249 HB3 LEU 33 3HB LEU 33 1.286 5.921 -4.432 250 HG LEU 33 HG LEU 33 0.506 4.752 -2.309 251 HD11 LEU 33 1HD1 LEU 33 -0.285 7.598 -1.525 252 HD12 LEU 33 2HD1 LEU 33 -0.812 6.115 -0.703 253 HD13 LEU 33 3HD1 LEU 33 0.888 6.587 -0.669 254 HD21 LEU 33 3HD2 LEU 33 -0.976 5.199 -4.245 255 HD22 LEU 33 1HD2 LEU 33 -1.852 5.243 -2.708 256 HD23 LEU 33 2HD2 LEU 33 -1.424 6.767 -3.523 257 H ARG 34 H ARG 34 2.899 4.629 -0.863 258 HA ARG 34 HA ARG 34 3.618 2.199 -2.419 259 HB2 ARG 34 2HB ARG 34 5.423 1.634 -0.925 260 HB3 ARG 34 3HB ARG 34 5.723 3.188 -1.720 261 HG2 ARG 34 2HG ARG 34 5.355 4.429 0.278 262 HG3 ARG 34 3HG ARG 34 4.606 3.050 1.079 263 HD2 ARG 34 2HD ARG 34 6.745 3.261 2.040 264 HD3 ARG 34 3HD ARG 34 6.787 1.836 1.027 265 HE ARG 34 HE ARG 34 7.961 3.259 -0.706 266 HH11 ARG 34 1HH2 ARG 34 8.260 4.348 2.656 267 HH12 ARG 34 2HH2 ARG 34 9.975 4.611 2.453 268 HH21 ARG 34 1HH1 ARG 34 10.130 3.948 -0.883 269 HH22 ARG 34 2HH1 ARG 34 10.864 4.659 0.515 270 H MET 35 H MET 35 3.153 0.243 -1.424 271 HA MET 35 HA MET 35 1.311 0.318 0.898 272 HB2 MET 35 2HB MET 35 0.778 -0.993 -1.794 273 HB3 MET 35 3HB MET 35 -0.025 -1.503 -0.296 274 HG2 MET 35 2HG MET 35 -0.794 0.826 0.059 275 HG3 MET 35 3HG MET 35 -0.124 1.270 -1.515 276 HE1 MET 35 3HE MET 35 -3.962 -1.134 -0.601 277 HE2 MET 35 1HE MET 35 -2.386 -1.911 -0.310 278 HE3 MET 35 2HE MET 35 -2.820 -0.421 0.568 279 H ALA 36 H ALA 36 1.173 -1.622 2.088 280 HA ALA 36 HA ALA 36 3.333 -3.584 1.649 281 HB1 ALA 36 1HB ALA 36 4.630 -2.503 3.150 282 HB2 ALA 36 2HB ALA 36 3.298 -1.530 3.772 283 HB3 ALA 36 3HB ALA 36 3.556 -3.184 4.367 284 H ILE 37 H ILE 37 3.193 -5.455 3.133 285 HA ILE 37 HA ILE 37 0.394 -6.052 3.999 286 HB ILE 37 HB ILE 37 2.131 -7.402 2.015 287 HG12 ILE 37 2HG1 ILE 37 -0.850 -7.703 2.520 288 HG13 ILE 37 3HG1 ILE 37 -0.191 -6.227 1.821 289 HG21 ILE 37 1HG2 ILE 37 1.313 -9.654 2.426 290 HG22 ILE 37 2HG2 ILE 37 2.334 -9.090 3.746 291 HG23 ILE 37 3HG2 ILE 37 0.565 -9.126 3.964 292 HD11 ILE 37 3HD1 ILE 37 0.807 -7.488 -0.035 293 HD12 ILE 37 1HD1 ILE 37 0.113 -8.992 0.609 294 HD13 ILE 37 2HD1 ILE 37 -0.953 -7.681 0.045 295 H MET 38 H MET 38 0.093 -7.237 5.787 296 HA MET 38 HA MET 38 2.387 -7.193 7.610 297 HB2 MET 38 2HB MET 38 -0.550 -7.747 8.144 298 HB3 MET 38 3HB MET 38 0.665 -7.369 9.365 299 HG2 MET 38 2HG MET 38 0.073 -5.354 7.179 300 HG3 MET 38 3HG MET 38 -1.048 -5.584 8.485 301 HE1 MET 38 3HE MET 38 2.958 -5.777 9.007 302 HE2 MET 38 1HE MET 38 2.525 -4.918 7.508 303 HE3 MET 38 2HE MET 38 3.255 -4.028 8.882 304 H VAL 39 H VAL 39 3.692 -8.845 7.435 305 HA VAL 39 HA VAL 39 2.639 -11.616 7.264 306 HB VAL 39 HB VAL 39 5.573 -10.917 7.417 307 HG11 VAL 39 1HG1 VAL 39 4.035 -13.132 6.023 308 HG12 VAL 39 2HG1 VAL 39 5.801 -12.920 6.035 309 HG13 VAL 39 3HG1 VAL 39 4.959 -13.275 7.543 310 HG21 VAL 39 3HG2 VAL 39 5.579 -10.855 4.908 311 HG22 VAL 39 1HG2 VAL 39 3.813 -10.675 4.957 312 HG23 VAL 39 2HG2 VAL 39 4.878 -9.435 5.688 313 H GLN 40 H GLN 40 2.606 -13.028 8.980 314 HA GLN 40 HA GLN 40 3.298 -12.176 11.660 315 HB2 GLN 40 2HB GLN 40 2.991 -14.677 12.154 316 HB3 GLN 40 3HB GLN 40 1.597 -13.733 11.640 317 HG2 GLN 40 2HG GLN 40 1.650 -14.634 9.412 318 HG3 GLN 40 3HG GLN 40 3.210 -15.420 9.687 319 HE21 GLN 40 2HE2 GLN 40 3.261 -17.286 11.242 320 HE22 GLN 40 1HE2 GLN 40 1.771 -18.184 11.501 321 H SER 41 H SER 41 5.252 -11.976 12.522 322 HA SER 41 HA SER 41 7.433 -12.571 10.783 323 HB2 SER 41 2HB SER 41 7.085 -10.427 12.120 324 HB3 SER 41 3HB SER 41 7.662 -11.343 13.531 325 HG SER 41 HG SER 41 9.034 -10.639 11.182 326 HA PRO 42 HA PRO 42 9.434 -15.722 13.233 327 HB2 PRO 42 2HB PRO 42 11.681 -16.125 11.743 328 HB3 PRO 42 3HB PRO 42 10.066 -16.670 11.195 329 HG2 PRO 42 2HG PRO 42 11.531 -14.126 10.439 330 HG3 PRO 42 3HG PRO 42 10.721 -15.297 9.351 331 HD2 PRO 42 2HD PRO 42 9.517 -12.977 10.268 332 HD3 PRO 42 3HD PRO 42 8.590 -14.456 9.892 333 H MET 43 H MET 43 10.368 -12.447 12.721 334 HA MET 43 HA MET 43 12.628 -12.673 14.663 335 HB2 MET 43 2HB MET 43 13.806 -11.025 13.603 336 HB3 MET 43 3HB MET 43 13.208 -12.115 12.364 337 HG2 MET 43 2HG MET 43 11.260 -10.268 12.223 338 HG3 MET 43 3HG MET 43 12.485 -9.252 12.957 339 HE1 MET 43 3HE MET 43 12.817 -12.217 10.332 340 HE2 MET 43 1HE MET 43 11.302 -11.367 9.992 341 HE3 MET 43 2HE MET 43 12.640 -11.305 8.815 342 H PHE 44 H PHE 44 9.604 -11.070 14.087 343 HA PHE 44 HA PHE 44 10.078 -9.105 16.287 344 HB2 PHE 44 2HB PHE 44 9.849 -8.082 14.107 345 HB3 PHE 44 3HB PHE 44 8.379 -8.984 13.788 346 HD1 PHE 44 HD1 PHE 44 9.736 -6.577 16.367 347 HD2 PHE 44 HD2 PHE 44 6.348 -7.879 14.036 348 HE1 PHE 44 HE1 PHE 44 8.352 -4.761 17.350 349 HE2 PHE 44 HE2 PHE 44 4.972 -6.058 15.013 350 HZ PHE 44 HZ PHE 44 5.971 -4.504 16.681 351 H ASP 45 H ASP 45 8.235 -8.462 17.523 352 HA ASP 45 HA ASP 45 6.809 -10.808 18.584 353 HB2 ASP 45 2HB ASP 45 7.132 -7.981 19.646 354 HB3 ASP 45 3HB ASP 45 6.308 -9.293 20.492 355 H GLY 46 H GLY 46 5.803 -10.213 16.137 356 HA2 GLY 46 2HA GLY 46 3.030 -10.001 16.233 357 HA3 GLY 46 3HA GLY 46 3.607 -8.331 16.130 358 H LYS 47 H LYS 47 3.037 -7.823 14.058 359 HA LYS 47 HA LYS 47 4.046 -9.602 11.886 360 HB2 LYS 47 2HB LYS 47 1.562 -7.883 11.686 361 HB3 LYS 47 3HB LYS 47 2.187 -9.048 10.514 362 HG2 LYS 47 2HG LYS 47 1.973 -10.659 12.733 363 HG3 LYS 47 3HG LYS 47 0.681 -9.520 13.064 364 HD2 LYS 47 2HD LYS 47 1.033 -11.326 10.663 365 HD3 LYS 47 3HD LYS 47 -0.166 -11.490 11.939 366 HE2 LYS 47 2HE LYS 47 -0.014 -9.209 9.923 367 HE3 LYS 47 3HE LYS 47 -1.014 -10.641 9.729 368 HZ1 LYS 47 3HZ LYS 47 -2.263 -9.995 11.706 369 HZ2 LYS 47 1HZ LYS 47 -1.314 -8.679 11.964 370 HZ3 LYS 47 2HZ LYS 47 -2.254 -8.740 10.644 371 H VAL 48 H VAL 48 4.897 -8.820 10.057 372 HA VAL 48 HA VAL 48 6.143 -6.120 10.312 373 HB VAL 48 HB VAL 48 8.002 -7.179 8.923 374 HG11 VAL 48 1HG1 VAL 48 8.215 -6.599 11.325 375 HG12 VAL 48 2HG1 VAL 48 7.495 -8.153 11.777 376 HG13 VAL 48 3HG1 VAL 48 9.078 -8.103 10.972 377 HG21 VAL 48 3HG2 VAL 48 6.839 -9.799 9.911 378 HG22 VAL 48 1HG2 VAL 48 6.880 -9.240 8.224 379 HG23 VAL 48 2HG2 VAL 48 8.389 -9.546 9.088 380 HA PRO 49 HA PRO 49 4.420 -5.219 6.355 381 HB2 PRO 49 2HB PRO 49 5.670 -2.883 5.700 382 HB3 PRO 49 3HB PRO 49 4.509 -3.015 7.054 383 HG2 PRO 49 2HG PRO 49 7.539 -3.102 7.171 384 HG3 PRO 49 3HG PRO 49 6.416 -2.160 8.199 385 HD2 PRO 49 2HD PRO 49 7.473 -4.575 8.971 386 HD3 PRO 49 3HD PRO 49 5.837 -4.043 9.461 387 H HIS 50 H HIS 50 4.750 -6.242 4.472 388 HA HIS 50 HA HIS 50 7.453 -6.195 3.160 389 HB2 HIS 50 2HB HIS 50 5.009 -7.963 2.902 390 HB3 HIS 50 3HB HIS 50 6.117 -7.793 1.550 391 HD2 HIS 50 HD2 HIS 50 7.086 -8.041 5.280 392 HE1 HIS 50 HE1 HIS 50 8.881 -11.355 3.278 393 HE2 HIS 50 HE2 HIS 50 8.711 -10.127 5.508 394 H TRP 51 H TRP 51 7.742 -4.313 2.111 395 HA TRP 51 HA TRP 51 5.465 -2.772 1.169 396 HB2 TRP 51 2HB TRP 51 8.456 -2.311 1.012 397 HB3 TRP 51 3HB TRP 51 7.237 -1.177 0.449 398 HD1 TRP 51 HD1 TRP 51 9.051 -2.200 3.538 399 HE1 TRP 51 HE1 TRP 51 8.309 -0.757 5.524 400 HE3 TRP 51 HE3 TRP 51 4.906 -0.018 1.455 401 HZ2 TRP 51 HZ2 TRP 51 6.220 1.139 6.123 402 HZ3 TRP 51 HZ3 TRP 51 3.535 1.589 2.783 403 HH2 TRP 51 HH2 TRP 51 4.212 2.202 5.084 404 H TYR 52 H TYR 52 4.976 -2.151 -0.886 405 HA TYR 52 HA TYR 52 6.569 -3.050 -3.182 406 HB2 TYR 52 2HB TYR 52 3.602 -3.335 -3.432 407 HB3 TYR 52 3HB TYR 52 4.941 -4.060 -4.333 408 HD1 TYR 52 HD1 TYR 52 3.450 -4.345 -0.841 409 HD2 TYR 52 HD2 TYR 52 5.021 -6.273 -4.351 410 HE1 TYR 52 HE1 TYR 52 2.932 -6.578 0.147 411 HE2 TYR 52 HE2 TYR 52 4.444 -8.502 -3.389 412 HH TYR 52 HH TYR 52 2.976 -8.851 -0.150 413 H HIS 53 H HIS 53 5.900 -1.834 -5.144 414 HA HIS 53 HA HIS 53 5.226 0.959 -4.811 415 HB2 HIS 53 2HB HIS 53 4.823 -0.793 -7.271 416 HB3 HIS 53 3HB HIS 53 4.894 0.953 -7.235 417 HD2 HIS 53 HD2 HIS 53 7.297 2.066 -6.420 418 HE1 HIS 53 HE1 HIS 53 9.703 -1.191 -7.713 419 HE2 HIS 53 HE2 HIS 53 9.749 1.205 -6.929 420 H PHE 54 H PHE 54 3.154 2.041 -5.299 421 HA PHE 54 HA PHE 54 0.909 0.949 -4.068 422 HB2 PHE 54 2HB PHE 54 0.854 3.256 -4.430 423 HB3 PHE 54 3HB PHE 54 1.232 3.112 -6.143 424 HD1 PHE 54 HD2 PHE 54 -1.510 2.259 -3.671 425 HD2 PHE 54 HD1 PHE 54 -0.481 3.195 -7.758 426 HE1 PHE 54 HE2 PHE 54 -3.908 2.176 -4.304 427 HE2 PHE 54 HE1 PHE 54 -2.886 3.137 -8.369 428 HZ PHE 54 HZ PHE 54 -4.596 2.598 -6.653 429 H SER 55 H SER 55 1.722 0.667 -7.587 430 HA SER 55 HA SER 55 -0.810 -0.598 -8.239 431 HB2 SER 55 2HB SER 55 0.186 -0.869 -10.468 432 HB3 SER 55 3HB SER 55 0.280 0.792 -9.861 433 HG SER 55 HG SER 55 2.300 0.515 -10.484 434 H CYS 56 HN CYS 56 2.472 -1.722 -7.483 435 HA CYS 56 HA CYS 56 2.254 -4.353 -8.343 436 HB2 CYS 56 2HB CYS 56 3.921 -3.022 -6.199 437 HB3 CYS 56 3HB CYS 56 4.137 -4.709 -6.671 438 H PHE 57 H PHE 57 1.227 -2.988 -5.234 439 HA PHE 57 HA PHE 57 0.531 -5.301 -3.757 440 HB2 PHE 57 2HB PHE 57 0.399 -2.992 -2.943 441 HB3 PHE 57 3HB PHE 57 -0.964 -2.668 -4.011 442 HD1 PHE 57 HD2 PHE 57 -3.123 -4.043 -3.707 443 HD2 PHE 57 HD1 PHE 57 0.050 -3.969 -0.783 444 HE1 PHE 57 HE2 PHE 57 -4.669 -4.958 -2.013 445 HE2 PHE 57 HE1 PHE 57 -1.547 -4.760 0.945 446 HZ PHE 57 HZ PHE 57 -3.893 -5.308 0.321 447 H TRP 58 H TRP 58 -1.445 -3.558 -6.204 448 HA TRP 58 HA TRP 58 -3.533 -5.560 -6.206 449 HB2 TRP 58 2HB TRP 58 -3.105 -3.396 -8.258 450 HB3 TRP 58 3HB TRP 58 -4.603 -4.189 -7.804 451 HD1 TRP 58 HD1 TRP 58 -2.403 -1.311 -7.031 452 HE1 TRP 58 HE1 TRP 58 -3.222 0.097 -5.080 453 HE3 TRP 58 HE3 TRP 58 -6.147 -4.396 -5.322 454 HZ2 TRP 58 HZ2 TRP 58 -5.356 -0.011 -3.100 455 HZ3 TRP 58 HZ3 TRP 58 -7.534 -3.700 -3.405 456 HH2 TRP 58 HH2 TRP 58 -7.142 -1.496 -2.308 457 H LYS 59 H LYS 59 -0.507 -5.392 -7.891 458 HA LYS 59 HA LYS 59 -1.239 -7.309 -10.004 459 HB2 LYS 59 2HB LYS 59 1.477 -6.454 -8.968 460 HB3 LYS 59 3HB LYS 59 1.210 -7.532 -10.336 461 HG2 LYS 59 2HG LYS 59 0.136 -5.808 -11.634 462 HG3 LYS 59 3HG LYS 59 0.051 -4.739 -10.241 463 HD2 LYS 59 2HD LYS 59 2.763 -5.156 -10.321 464 HD3 LYS 59 3HD LYS 59 2.381 -5.324 -12.041 465 HE2 LYS 59 2HE LYS 59 1.417 -3.130 -12.137 466 HE3 LYS 59 3HE LYS 59 1.226 -3.073 -10.384 467 HZ1 LYS 59 3HZ LYS 59 3.689 -3.028 -10.201 468 HZ2 LYS 59 1HZ LYS 59 3.787 -2.837 -11.849 469 HZ3 LYS 59 2HZ LYS 59 3.050 -1.707 -10.895 470 H VAL 60 H VAL 60 -0.111 -7.474 -6.637 471 HA VAL 60 HA VAL 60 0.020 -10.432 -6.682 472 HB VAL 60 HB VAL 60 -0.272 -8.626 -4.256 473 HG11 VAL 60 1HG1 VAL 60 -0.814 -11.007 -3.818 474 HG12 VAL 60 2HG1 VAL 60 0.713 -11.500 -4.573 475 HG13 VAL 60 3HG1 VAL 60 0.723 -10.562 -3.066 476 HG21 VAL 60 3HG2 VAL 60 2.262 -9.785 -5.483 477 HG22 VAL 60 1HG2 VAL 60 1.822 -8.061 -5.472 478 HG23 VAL 60 2HG2 VAL 60 2.140 -8.896 -3.954 479 H GLY 61 H GLY 61 -2.378 -7.922 -5.920 480 HA2 GLY 61 2HA GLY 61 -4.630 -8.023 -6.476 481 HA3 GLY 61 3HA GLY 61 -4.485 -9.744 -6.820 482 H HIS 62 H HIS 62 -3.563 -8.360 -3.683 483 HA HIS 62 HA HIS 62 -5.402 -10.028 -2.190 484 HB2 HIS 62 2HB HIS 62 -3.599 -7.705 -1.457 485 HB3 HIS 62 3HB HIS 62 -4.713 -8.422 -0.302 486 HD2 HIS 62 HD2 HIS 62 -1.439 -9.166 -2.125 487 HE1 HIS 62 HE1 HIS 62 -2.097 -12.424 0.547 488 HE2 HIS 62 HE2 HIS 62 -0.432 -11.357 -1.052 489 H SER 63 H SER 63 -7.345 -9.616 -1.260 490 HA SER 63 HA SER 63 -8.911 -7.404 -2.407 491 HB2 SER 63 2HB SER 63 -10.837 -8.691 -1.431 492 HB3 SER 63 3HB SER 63 -9.884 -9.551 -2.659 493 HG SER 63 HG SER 63 -10.049 -11.014 -1.070 494 H ILE 64 H ILE 64 -10.124 -5.970 -1.321 495 HA ILE 64 HA ILE 64 -9.766 -5.522 1.571 496 HB ILE 64 HB ILE 64 -9.246 -3.312 -0.421 497 HG12 ILE 64 2HG1 ILE 64 -7.151 -5.145 0.744 498 HG13 ILE 64 3HG1 ILE 64 -7.442 -4.723 -0.941 499 HG21 ILE 64 1HG2 ILE 64 -8.553 -3.620 2.534 500 HG22 ILE 64 2HG2 ILE 64 -8.314 -2.165 1.563 501 HG23 ILE 64 3HG2 ILE 64 -9.955 -2.720 1.915 502 HD11 ILE 64 3HD1 ILE 64 -5.526 -3.495 -0.370 503 HD12 ILE 64 1HD1 ILE 64 -6.815 -2.297 -0.249 504 HD13 ILE 64 2HD1 ILE 64 -6.152 -3.055 1.217 505 H ARG 65 H ARG 65 -11.593 -4.654 2.432 506 HA ARG 65 HA ARG 65 -13.831 -3.848 0.648 507 HB2 ARG 65 2HB ARG 65 -15.423 -5.292 1.562 508 HB3 ARG 65 3HB ARG 65 -14.077 -6.258 1.000 509 HG2 ARG 65 2HG ARG 65 -14.573 -5.517 3.928 510 HG3 ARG 65 3HG ARG 65 -15.140 -7.000 3.179 511 HD2 ARG 65 2HD ARG 65 -12.232 -6.201 3.222 512 HD3 ARG 65 3HD ARG 65 -12.967 -7.183 4.501 513 HE ARG 65 HE ARG 65 -13.594 -8.614 2.288 514 HH11 ARG 65 1HH2 ARG 65 -10.494 -7.352 3.416 515 HH12 ARG 65 2HH2 ARG 65 -9.623 -8.218 2.166 516 HH21 ARG 65 1HH1 ARG 65 -12.365 -9.908 0.964 517 HH22 ARG 65 2HH1 ARG 65 -10.632 -9.752 0.935 518 H HIS 66 H HIS 66 -12.234 -3.395 3.621 519 HA HIS 66 HA HIS 66 -13.778 -0.922 3.960 520 HB2 HIS 66 2HB HIS 66 -13.827 -1.067 6.384 521 HB3 HIS 66 3HB HIS 66 -14.921 -2.154 5.554 522 HD2 HIS 66 HD2 HIS 66 -12.930 -4.723 5.248 523 HE1 HIS 66 HE1 HIS 66 -13.128 -4.705 9.485 524 HE2 HIS 66 HE2 HIS 66 -12.576 -6.108 7.441 525 HA PRO 67 HA PRO 67 -9.274 -0.950 3.401 526 HB2 PRO 67 2HB PRO 67 -9.054 1.363 1.812 527 HB3 PRO 67 3HB PRO 67 -9.402 -0.269 1.182 528 HG2 PRO 67 2HG PRO 67 -11.389 1.874 1.953 529 HG3 PRO 67 3HG PRO 67 -11.327 0.918 0.429 530 HD2 PRO 67 2HD PRO 67 -12.994 0.228 2.381 531 HD3 PRO 67 3HD PRO 67 -12.019 -1.058 1.601 532 H ASP 68 H ASP 68 -11.103 1.931 4.495 533 HA ASP 68 HA ASP 68 -8.721 3.175 5.596 534 HB2 ASP 68 2HB ASP 68 -10.283 4.770 6.621 535 HB3 ASP 68 3HB ASP 68 -10.549 4.560 4.895 536 H VAL 69 H VAL 69 -10.466 0.493 6.574 537 HA VAL 69 HA VAL 69 -9.561 0.683 9.397 538 HB VAL 69 HB VAL 69 -11.301 -1.473 8.165 539 HG11 VAL 69 1HG1 VAL 69 -10.833 -0.619 11.053 540 HG12 VAL 69 2HG1 VAL 69 -11.955 -1.887 10.509 541 HG13 VAL 69 3HG1 VAL 69 -10.219 -2.100 10.281 542 HG21 VAL 69 3HG2 VAL 69 -12.191 1.064 9.597 543 HG22 VAL 69 1HG2 VAL 69 -12.549 0.600 7.915 544 HG23 VAL 69 2HG2 VAL 69 -13.237 -0.334 9.241 545 H GLU 70 H GLU 70 -9.374 -1.359 6.471 546 HA GLU 70 HA GLU 70 -7.532 -3.270 7.721 547 HB2 GLU 70 2HB GLU 70 -8.490 -2.945 4.841 548 HB3 GLU 70 3HB GLU 70 -7.559 -4.319 5.449 549 HG2 GLU 70 2HG GLU 70 -9.366 -5.007 6.904 550 HG3 GLU 70 3HG GLU 70 -10.319 -3.588 6.466 551 H VAL 71 H VAL 71 -7.124 -0.566 5.494 552 HA VAL 71 HA VAL 71 -4.201 -1.089 5.120 553 HB VAL 71 HB VAL 71 -5.867 1.088 3.868 554 HG11 VAL 71 1HG1 VAL 71 -3.145 -0.137 3.276 555 HG12 VAL 71 2HG1 VAL 71 -3.939 1.219 2.425 556 HG13 VAL 71 3HG1 VAL 71 -3.420 1.405 4.117 557 HG21 VAL 71 3HG2 VAL 71 -5.064 -1.676 2.850 558 HG22 VAL 71 1HG2 VAL 71 -6.721 -1.089 3.083 559 HG23 VAL 71 2HG2 VAL 71 -5.706 -0.363 1.829 560 H ASP 72 H ASP 72 -3.262 -0.670 7.018 561 HA ASP 72 HA ASP 72 -3.904 1.700 8.582 562 HB2 ASP 72 2HB ASP 72 -3.130 -0.465 9.485 563 HB3 ASP 72 3HB ASP 72 -1.535 -0.186 8.770 564 H GLY 73 H GLY 73 -2.750 3.612 8.741 565 HA2 GLY 73 2HA GLY 73 -1.182 5.272 8.164 566 HA3 GLY 73 3HA GLY 73 -0.498 4.207 6.939 567 H PHE 74 H PHE 74 -3.728 4.030 6.329 568 HA PHE 74 HA PHE 74 -3.885 5.685 4.023 569 HB2 PHE 74 2HB PHE 74 -5.364 3.794 4.580 570 HB3 PHE 74 3HB PHE 74 -5.974 4.650 5.993 571 HD1 PHE 74 HD1 PHE 74 -5.959 4.566 2.269 572 HD2 PHE 74 HD2 PHE 74 -7.751 6.260 5.812 573 HE1 PHE 74 HE1 PHE 74 -7.846 5.449 0.906 574 HE2 PHE 74 HE2 PHE 74 -9.638 7.124 4.438 575 HZ PHE 74 HZ PHE 74 -9.686 6.707 2.001 576 H SER 75 H SER 75 -4.457 6.482 7.421 577 HA SER 75 HA SER 75 -5.593 9.068 7.135 578 HB2 SER 75 2HB SER 75 -3.760 7.989 9.303 579 HB3 SER 75 3HB SER 75 -4.833 9.399 9.445 580 HG SER 75 HG SER 75 -5.793 7.506 10.315 581 H GLU 76 H GLU 76 -2.328 8.089 6.377 582 HA GLU 76 HA GLU 76 -1.133 10.752 6.756 583 HB2 GLU 76 2HB GLU 76 -0.038 8.301 5.322 584 HB3 GLU 76 3HB GLU 76 0.844 9.752 5.774 585 HG2 GLU 76 2HG GLU 76 0.443 9.245 8.185 586 HG3 GLU 76 3HG GLU 76 -0.381 7.748 7.727 587 H LEU 77 H LEU 77 -3.038 9.286 4.293 588 HA LEU 77 HA LEU 77 -1.638 10.403 2.001 589 HB2 LEU 77 2HB LEU 77 -4.178 8.821 2.414 590 HB3 LEU 77 3HB LEU 77 -3.805 9.508 0.848 591 HG LEU 77 HG LEU 77 -1.914 8.148 0.531 592 HD11 LEU 77 1HD1 LEU 77 -2.156 7.110 3.360 593 HD12 LEU 77 2HD1 LEU 77 -1.042 6.516 2.104 594 HD13 LEU 77 3HD1 LEU 77 -0.853 8.144 2.736 595 HD21 LEU 77 3HD2 LEU 77 -4.112 6.491 1.811 596 HD22 LEU 77 1HD2 LEU 77 -4.099 7.105 0.145 597 HD23 LEU 77 2HD2 LEU 77 -2.900 5.906 0.652 598 H ARG 78 H ARG 78 -2.256 11.948 0.588 599 HA ARG 78 HA ARG 78 -3.911 14.202 1.323 600 HB2 ARG 78 2HB ARG 78 -1.972 14.269 -0.194 601 HB3 ARG 78 3HB ARG 78 -2.789 13.225 -1.341 602 HG2 ARG 78 2HG ARG 78 -4.088 15.849 -0.600 603 HG3 ARG 78 3HG ARG 78 -2.634 15.888 -1.591 604 HD2 ARG 78 2HD ARG 78 -5.151 14.350 -2.291 605 HD3 ARG 78 3HD ARG 78 -4.696 15.910 -2.966 606 HE ARG 78 HE ARG 78 -3.579 13.251 -3.630 607 HH11 ARG 78 1HH2 ARG 78 -2.980 16.700 -4.055 608 HH12 ARG 78 2HH2 ARG 78 -1.954 16.390 -5.430 609 HH21 ARG 78 1HH1 ARG 78 -2.390 12.958 -5.233 610 HH22 ARG 78 2HH1 ARG 78 -1.597 14.272 -6.116 611 H TRP 79 H TRP 79 -6.055 14.668 0.756 612 HA TRP 79 HA TRP 79 -7.732 12.491 1.000 613 HB2 TRP 79 2HB TRP 79 -9.292 13.940 1.452 614 HB3 TRP 79 3HB TRP 79 -8.058 15.163 1.297 615 HD1 TRP 79 HD1 TRP 79 -11.418 14.490 0.305 616 HE1 TRP 79 HE1 TRP 79 -12.193 15.865 -1.730 617 HE3 TRP 79 HE3 TRP 79 -6.863 15.897 -1.476 618 HZ2 TRP 79 HZ2 TRP 79 -10.957 17.382 -3.870 619 HZ3 TRP 79 HZ3 TRP 79 -6.654 17.300 -3.511 620 HH2 TRP 79 HH2 TRP 79 -8.703 18.037 -4.726 621 H ASP 80 H ASP 80 -6.926 14.019 -2.108 622 HA ASP 80 HA ASP 80 -8.807 12.618 -3.661 623 HB2 ASP 80 2HB ASP 80 -7.588 14.631 -4.391 624 HB3 ASP 80 3HB ASP 80 -6.104 13.684 -4.513 625 H ASP 81 H ASP 81 -5.716 11.599 -2.347 626 HA ASP 81 HA ASP 81 -5.538 9.209 -4.030 627 HB2 ASP 81 2HB ASP 81 -3.635 10.476 -2.057 628 HB3 ASP 81 3HB ASP 81 -3.433 8.827 -2.665 629 H GLN 82 H GLN 82 -6.396 10.180 -0.695 630 HA GLN 82 HA GLN 82 -7.085 7.545 0.216 631 HB2 GLN 82 2HB GLN 82 -8.330 10.270 0.738 632 HB3 GLN 82 3HB GLN 82 -8.939 8.799 1.463 633 HG2 GLN 82 2HG GLN 82 -6.703 8.362 2.453 634 HG3 GLN 82 3HG GLN 82 -6.118 9.886 1.764 635 HE21 GLN 82 2HE2 GLN 82 -6.097 9.255 4.571 636 HE22 GLN 82 1HE2 GLN 82 -7.164 10.438 5.340 637 H GLN 83 H GLN 83 -8.923 9.880 -1.891 638 HA GLN 83 HA GLN 83 -11.111 8.068 -2.255 639 HB2 GLN 83 2HB GLN 83 -10.253 10.184 -4.260 640 HB3 GLN 83 3HB GLN 83 -11.795 9.364 -4.153 641 HG2 GLN 83 2HG GLN 83 -10.767 11.647 -2.551 642 HG3 GLN 83 3HG GLN 83 -12.337 11.386 -3.253 643 HE21 GLN 83 2HE2 GLN 83 -10.473 11.175 -0.371 644 HE22 GLN 83 1HE2 GLN 83 -11.734 10.446 0.636 645 H LYS 84 H LYS 84 -8.002 8.276 -4.120 646 HA LYS 84 HA LYS 84 -8.997 6.444 -6.128 647 HB2 LYS 84 2HB LYS 84 -7.039 6.723 -7.257 648 HB3 LYS 84 3HB LYS 84 -7.292 8.285 -6.483 649 HG2 LYS 84 2HG LYS 84 -5.094 8.091 -6.123 650 HG3 LYS 84 3HG LYS 84 -5.626 7.227 -4.676 651 HD2 LYS 84 2HD LYS 84 -5.309 5.086 -5.767 652 HD3 LYS 84 3HD LYS 84 -4.864 5.874 -7.285 653 HE2 LYS 84 2HE LYS 84 -3.344 6.097 -4.646 654 HE3 LYS 84 3HE LYS 84 -2.910 5.032 -5.981 655 HZ1 LYS 84 3HZ LYS 84 -2.835 7.998 -5.976 656 HZ2 LYS 84 1HZ LYS 84 -1.593 6.976 -6.193 657 HZ3 LYS 84 2HZ LYS 84 -2.719 7.118 -7.367 658 H VAL 85 H VAL 85 -7.085 6.140 -3.153 659 HA VAL 85 HA VAL 85 -6.509 3.330 -3.628 660 HB VAL 85 HB VAL 85 -6.469 4.983 -1.084 661 HG11 VAL 85 1HG1 VAL 85 -6.775 2.640 -0.393 662 HG12 VAL 85 2HG1 VAL 85 -5.481 2.116 -1.496 663 HG13 VAL 85 3HG1 VAL 85 -5.108 3.140 -0.098 664 HG21 VAL 85 3HG2 VAL 85 -4.791 5.479 -2.948 665 HG22 VAL 85 1HG2 VAL 85 -4.067 4.964 -1.414 666 HG23 VAL 85 2HG2 VAL 85 -4.199 3.825 -2.766 667 H LYS 86 H LYS 86 -9.185 4.983 -1.851 668 HA LYS 86 HA LYS 86 -10.552 2.501 -1.235 669 HB2 LYS 86 2HB LYS 86 -11.620 5.352 -1.446 670 HB3 LYS 86 3HB LYS 86 -12.549 3.946 -0.905 671 HG2 LYS 86 2HG LYS 86 -10.663 3.571 0.831 672 HG3 LYS 86 3HG LYS 86 -10.084 5.149 0.400 673 HD2 LYS 86 2HD LYS 86 -11.413 5.212 2.448 674 HD3 LYS 86 3HD LYS 86 -12.180 6.191 1.181 675 HE2 LYS 86 2HE LYS 86 -13.830 4.507 0.773 676 HE3 LYS 86 3HE LYS 86 -12.930 3.303 1.713 677 HZ1 LYS 86 3HZ LYS 86 -14.873 4.287 2.900 678 HZ2 LYS 86 1HZ LYS 86 -13.479 4.404 3.724 679 HZ3 LYS 86 2HZ LYS 86 -14.103 5.726 2.955 680 H LYS 87 H LYS 87 -10.879 4.731 -4.025 681 HA LYS 87 HA LYS 87 -12.899 3.199 -5.383 682 HB2 LYS 87 2HB LYS 87 -12.320 5.528 -5.904 683 HB3 LYS 87 3HB LYS 87 -10.755 5.034 -6.547 684 HG2 LYS 87 2HG LYS 87 -13.309 3.857 -7.692 685 HG3 LYS 87 3HG LYS 87 -12.847 5.510 -8.095 686 HD2 LYS 87 2HD LYS 87 -10.679 4.744 -8.987 687 HD3 LYS 87 3HD LYS 87 -11.116 3.058 -8.641 688 HE2 LYS 87 2HE LYS 87 -13.094 3.251 -10.111 689 HE3 LYS 87 3HE LYS 87 -12.700 4.941 -10.439 690 HZ1 LYS 87 3HZ LYS 87 -10.621 4.193 -11.469 691 HZ2 LYS 87 1HZ LYS 87 -10.982 2.626 -11.167 692 HZ3 LYS 87 2HZ LYS 87 -11.894 3.490 -12.207 693 H THR 88 H THR 88 -9.330 2.928 -5.530 694 HA THR 88 HA THR 88 -9.280 0.821 -7.432 695 HB THR 88 HB THR 88 -7.253 1.436 -5.255 696 HG1 THR 88 1HG THR 88 -7.525 3.157 -6.617 697 HG21 THR 88 1HG2 THR 88 -7.076 -0.070 -7.882 698 HG22 THR 88 2HG2 THR 88 -5.688 0.365 -6.851 699 HG23 THR 88 3HG2 THR 88 -6.892 -0.793 -6.269 700 H ALA 89 H ALA 89 -9.710 0.681 -3.877 701 HA ALA 89 HA ALA 89 -9.541 -2.204 -3.718 702 HB1 ALA 89 1HB ALA 89 -10.747 -0.108 -1.860 703 HB2 ALA 89 2HB ALA 89 -10.463 -1.812 -1.457 704 HB3 ALA 89 3HB ALA 89 -9.088 -0.736 -1.803 705 H GLU 90 H GLU 90 -12.217 0.168 -4.080 706 HA GLU 90 HA GLU 90 -14.304 -1.803 -4.195 707 HB2 GLU 90 2HB GLU 90 -14.094 1.049 -5.226 708 HB3 GLU 90 3HB GLU 90 -15.565 0.097 -5.393 709 HG2 GLU 90 2HG GLU 90 -14.252 0.640 -2.698 710 HG3 GLU 90 3HG GLU 90 -15.468 1.686 -3.421 711 H ALA 91 H ALA 91 -12.182 -0.461 -6.662 712 HA ALA 91 HA ALA 91 -13.400 -1.749 -8.928 713 HB1 ALA 91 1HB ALA 91 -11.378 -0.881 -10.071 714 HB2 ALA 91 2HB ALA 91 -12.087 0.357 -9.009 715 HB3 ALA 91 3HB ALA 91 -10.634 -0.517 -8.501 716 H GLY 92 H GLY 92 -11.496 -3.063 -6.409 717 HA2 GLY 92 2HA GLY 92 -10.628 -5.163 -6.080 718 HA3 GLY 92 3HA GLY 92 -11.241 -5.660 -7.660 719 H GLY 93 H GLY 93 -9.065 -2.893 -7.430 720 HA2 GLY 93 2HA GLY 93 -6.616 -3.167 -7.527 721 HA3 GLY 93 3HA GLY 93 -6.845 -4.456 -8.708 722 H VAL 94 H VAL 94 -5.355 -1.999 -8.902 723 HA VAL 94 HA VAL 94 -6.763 -0.155 -10.638 724 HB VAL 94 HB VAL 94 -5.025 0.518 -9.036 725 HG11 VAL 94 1HG1 VAL 94 -3.337 -1.261 -9.434 726 HG12 VAL 94 2HG1 VAL 94 -2.999 -0.569 -11.032 727 HG13 VAL 94 3HG1 VAL 94 -2.662 0.369 -9.564 728 HG21 VAL 94 3HG2 VAL 94 -5.725 2.000 -10.880 729 HG22 VAL 94 1HG2 VAL 94 -4.064 2.271 -10.345 730 HG23 VAL 94 2HG2 VAL 94 -4.359 1.408 -11.858 731 H THR 95 H THR 95 -6.329 0.382 -12.813 732 HA THR 95 HA THR 95 -5.955 -1.924 -14.553 733 HB THR 95 HB THR 95 -6.494 -0.212 -16.344 734 HG1 THR 95 1HG THR 95 -7.190 1.798 -15.610 735 HG21 THR 95 1HG2 THR 95 -8.459 -0.310 -14.002 736 HG22 THR 95 2HG2 THR 95 -8.845 0.063 -15.697 737 HG23 THR 95 3HG2 THR 95 -8.285 -1.558 -15.255 738 H GLY 96 H GLY 96 -3.666 0.157 -13.299 739 HA2 GLY 96 2HA GLY 96 -2.084 0.463 -15.670 740 HA3 GLY 96 3HA GLY 96 -1.534 0.764 -14.012 741 H LYS 97 H LYS 97 -0.070 -0.456 -16.180 742 HA LYS 97 HA LYS 97 0.452 -3.243 -15.202 743 HB2 LYS 97 2HB LYS 97 0.261 -2.291 -18.094 744 HB3 LYS 97 3HB LYS 97 0.780 -3.899 -17.580 745 HG2 LYS 97 2HG LYS 97 -1.444 -4.290 -16.535 746 HG3 LYS 97 3HG LYS 97 -1.981 -2.698 -17.107 747 HD2 LYS 97 2HD LYS 97 -1.560 -3.395 -19.454 748 HD3 LYS 97 3HD LYS 97 -1.079 -5.008 -18.878 749 HE2 LYS 97 2HE LYS 97 -3.321 -5.308 -17.852 750 HE3 LYS 97 3HE LYS 97 -3.796 -3.696 -18.404 751 HZ1 LYS 97 3HZ LYS 97 -3.502 -4.467 -20.700 752 HZ2 LYS 97 1HZ LYS 97 -3.062 -5.957 -20.191 753 HZ3 LYS 97 2HZ LYS 97 -4.579 -5.418 -19.928 754 H GLY 98 H GLY 98 2.539 -4.110 -15.874 755 HA2 GLY 98 2HA GLY 98 4.836 -4.040 -16.203 756 HA3 GLY 98 3HA GLY 98 4.674 -2.395 -16.804 757 H GLN 99 H GLN 99 6.526 -1.700 -15.741 758 HA GLN 99 HA GLN 99 6.484 -1.607 -12.749 759 HB2 GLN 99 2HB GLN 99 8.892 -1.902 -14.583 760 HB3 GLN 99 3HB GLN 99 8.927 -1.753 -12.824 761 HG2 GLN 99 2HG GLN 99 7.632 -3.889 -12.644 762 HG3 GLN 99 3HG GLN 99 7.717 -4.067 -14.401 763 HE21 GLN 99 2HE2 GLN 99 9.603 -4.160 -11.387 764 HE22 GLN 99 1HE2 GLN 99 11.027 -4.876 -12.119 765 H ASP 100 H ASP 100 7.113 0.205 -11.736 766 HA ASP 100 HA ASP 100 8.625 2.309 -13.051 767 HB2 ASP 100 2HB ASP 100 6.307 3.062 -13.506 768 HB3 ASP 100 3HB ASP 100 5.916 2.919 -11.790 769 H GLY 101 H GLY 101 10.019 3.272 -11.531 770 HA2 GLY 101 2HA GLY 101 9.847 3.325 -8.728 771 HA3 GLY 101 3HA GLY 101 10.452 1.720 -9.156 772 H ILE 102 H ILE 102 12.395 2.226 -8.042 773 HA ILE 102 HA ILE 102 14.372 3.697 -9.688 774 HB ILE 102 HB ILE 102 13.396 5.152 -7.872 775 HG12 ILE 102 2HG1 ILE 102 16.400 4.775 -7.642 776 HG13 ILE 102 3HG1 ILE 102 15.595 5.535 -9.022 777 HG21 ILE 102 1HG2 ILE 102 15.065 3.445 -5.972 778 HG22 ILE 102 2HG2 ILE 102 14.103 4.873 -5.562 779 HG23 ILE 102 3HG2 ILE 102 13.293 3.402 -6.080 780 HD11 ILE 102 3HD1 ILE 102 14.622 7.246 -7.480 781 HD12 ILE 102 1HD1 ILE 102 15.558 6.532 -6.143 782 HD13 ILE 102 2HD1 ILE 102 16.396 7.251 -7.525 783 H GLY 103 H GLY 103 16.604 3.212 -9.172 784 HA2 GLY 103 2HA GLY 103 17.065 0.565 -7.837 785 HA3 GLY 103 3HA GLY 103 18.106 1.248 -9.089 786 H SER 104 H SER 104 17.639 0.984 -5.737 787 HA SER 104 HA SER 104 18.739 3.587 -4.980 788 HB2 SER 104 2HB SER 104 18.342 2.736 -2.668 789 HB3 SER 104 3HB SER 104 16.909 2.749 -3.710 790 HG SER 104 HG SER 104 17.391 0.755 -2.409 791 H LYS 105 H LYS 105 20.248 0.670 -5.802 792 HA LYS 105 HA LYS 105 22.377 0.585 -3.869 793 HB2 LYS 105 2HB LYS 105 21.632 -1.304 -5.336 794 HB3 LYS 105 3HB LYS 105 22.351 -0.480 -6.727 795 HG2 LYS 105 2HG LYS 105 24.588 -0.617 -5.638 796 HG3 LYS 105 3HG LYS 105 23.850 -1.398 -4.228 797 HD2 LYS 105 2HD LYS 105 23.111 -3.282 -5.683 798 HD3 LYS 105 3HD LYS 105 23.883 -2.496 -7.078 799 HE2 LYS 105 2HE LYS 105 26.082 -2.606 -5.912 800 HE3 LYS 105 3HE LYS 105 25.308 -3.381 -4.524 801 HZ1 LYS 105 3HZ LYS 105 25.422 -4.531 -7.265 802 HZ2 LYS 105 1HZ LYS 105 26.324 -5.021 -5.997 803 HZ3 LYS 105 2HZ LYS 105 24.709 -5.244 -5.978 804 H ALA 106 H ALA 106 24.288 1.627 -3.736 805 HA ALA 106 HA ALA 106 24.702 4.062 -5.150 806 HB1 ALA 106 1HB ALA 106 25.411 3.627 -2.819 807 HB2 ALA 106 2HB ALA 106 26.617 2.454 -3.403 808 HB3 ALA 106 3HB ALA 106 26.768 4.175 -3.817 809 H GLU 107 H GLU 107 25.698 0.880 -6.062 810 HA GLU 107 HA GLU 107 27.814 1.840 -7.857 811 HB2 GLU 107 2HB GLU 107 26.670 -0.952 -7.457 812 HB3 GLU 107 3HB GLU 107 28.117 -0.559 -8.379 813 HG2 GLU 107 2HG GLU 107 27.754 -0.222 -5.372 814 HG3 GLU 107 3HG GLU 107 28.681 -1.470 -6.184 815 H LYS 108 H LYS 108 24.507 1.865 -8.171 816 HA LYS 108 HA LYS 108 24.204 0.807 -10.854 817 HB2 LYS 108 2HB LYS 108 22.406 0.788 -9.127 818 HB3 LYS 108 3HB LYS 108 22.368 2.546 -9.169 819 HG2 LYS 108 2HG LYS 108 20.512 1.724 -10.378 820 HG3 LYS 108 3HG LYS 108 21.588 2.478 -11.538 821 HD2 LYS 108 2HD LYS 108 21.639 -0.533 -11.066 822 HD3 LYS 108 3HD LYS 108 20.402 0.212 -12.082 823 HE2 LYS 108 2HE LYS 108 22.149 1.219 -13.522 824 HE3 LYS 108 3HE LYS 108 23.400 0.430 -12.564 825 HZ1 LYS 108 3HZ LYS 108 22.448 -1.721 -13.202 826 HZ2 LYS 108 1HZ LYS 108 21.295 -0.989 -14.100 827 HZ3 LYS 108 2HZ LYS 108 22.863 -0.869 -14.529 Start of MODEL 11 1 H1 MET 1 H1 MET 1 13.240 -0.480 15.955 2 H2 MET 1 H2 MET 1 12.587 -1.955 15.645 3 H3 MET 1 H3 MET 1 12.759 -1.443 17.186 4 HA MET 1 HA MET 1 11.159 0.316 16.868 5 HB2 MET 1 2HB MET 1 10.873 -0.888 14.077 6 HB3 MET 1 3HB MET 1 9.757 0.274 14.793 7 HG2 MET 1 2HG MET 1 12.684 0.775 14.148 8 HG3 MET 1 3HG MET 1 11.281 1.390 13.286 9 HE1 MET 1 1HE MET 1 13.645 3.258 14.172 10 HE2 MET 1 2HE MET 1 12.184 3.837 13.339 11 HE3 MET 1 3HE MET 1 12.752 4.656 14.809 12 H ALA 2 H ALA 2 8.965 -0.033 17.402 13 HA ALA 2 HA ALA 2 7.810 -2.724 17.124 14 HB1 ALA 2 1HB ALA 2 7.272 -2.874 19.532 15 HB2 ALA 2 2HB ALA 2 9.025 -2.865 19.269 16 HB3 ALA 2 3HB ALA 2 8.205 -1.395 19.843 17 H GLU 3 H GLU 3 5.590 -2.731 17.090 18 HA GLU 3 HA GLU 3 3.946 -0.441 17.822 19 HB2 GLU 3 2HB GLU 3 3.038 -0.028 15.597 20 HB3 GLU 3 3HB GLU 3 4.760 0.319 15.626 21 HG2 GLU 3 2HG GLU 3 5.228 -1.859 14.512 22 HG3 GLU 3 3HG GLU 3 3.500 -2.224 14.498 23 H SER 4 H SER 4 1.585 -0.900 17.338 24 HA SER 4 HA SER 4 0.865 -3.717 17.741 25 HB2 SER 4 2HB SER 4 -0.487 -1.930 18.744 26 HB3 SER 4 3HB SER 4 -0.888 -1.312 17.126 27 HG SER 4 HG SER 4 -2.487 -2.763 18.007 28 H SER 5 H SER 5 0.779 -5.156 16.156 29 HA SER 5 HA SER 5 0.695 -4.275 13.324 30 HB2 SER 5 2HB SER 5 1.757 -6.356 12.756 31 HB3 SER 5 3HB SER 5 2.691 -5.481 13.964 32 HG SER 5 HG SER 5 1.925 -6.881 15.560 33 H ASP 6 H ASP 6 -1.699 -4.437 14.941 34 HA ASP 6 HA ASP 6 -3.103 -6.718 13.899 35 HB2 ASP 6 2HB ASP 6 -3.323 -5.927 16.243 36 HB3 ASP 6 3HB ASP 6 -4.123 -4.466 15.663 37 H LYS 7 H LYS 7 -2.428 -5.564 11.728 38 HA LYS 7 HA LYS 7 -4.938 -4.854 10.374 39 HB2 LYS 7 2HB LYS 7 -3.748 -3.215 8.947 40 HB3 LYS 7 3HB LYS 7 -4.022 -2.683 10.592 41 HG2 LYS 7 2HG LYS 7 -1.436 -4.082 10.207 42 HG3 LYS 7 3HG LYS 7 -1.604 -2.618 9.229 43 HD2 LYS 7 2HD LYS 7 -2.187 -1.355 11.283 44 HD3 LYS 7 3HD LYS 7 -1.983 -2.826 12.247 45 HE2 LYS 7 2HE LYS 7 0.364 -2.980 11.694 46 HE3 LYS 7 3HE LYS 7 0.215 -1.756 10.425 47 HZ1 LYS 7 3HZ LYS 7 -0.262 -0.103 12.134 48 HZ2 LYS 7 1HZ LYS 7 -0.039 -1.243 13.332 49 HZ3 LYS 7 2HZ LYS 7 1.211 -0.794 12.386 50 H LEU 8 H LEU 8 -4.445 -5.060 7.915 51 HA LEU 8 HA LEU 8 -2.623 -7.404 7.429 52 HB2 LEU 8 2HB LEU 8 -5.088 -6.617 5.834 53 HB3 LEU 8 3HB LEU 8 -4.074 -8.035 5.621 54 HG LEU 8 HG LEU 8 -4.843 -8.359 8.234 55 HD11 LEU 8 1HD1 LEU 8 -7.240 -7.153 6.783 56 HD12 LEU 8 2HD1 LEU 8 -7.271 -7.927 8.381 57 HD13 LEU 8 3HD1 LEU 8 -6.398 -6.407 8.154 58 HD21 LEU 8 3HD2 LEU 8 -6.491 -10.005 7.384 59 HD22 LEU 8 1HD2 LEU 8 -6.393 -9.265 5.768 60 HD23 LEU 8 2HD2 LEU 8 -4.976 -10.077 6.470 61 H TYR 9 H TYR 9 -3.238 -4.084 6.741 62 HA TYR 9 HA TYR 9 -1.488 -4.149 4.341 63 HB2 TYR 9 2HB TYR 9 -4.126 -2.690 4.432 64 HB3 TYR 9 3HB TYR 9 -3.093 -2.955 3.037 65 HD1 TYR 9 HD2 TYR 9 -2.647 -5.708 2.750 66 HD2 TYR 9 HD1 TYR 9 -6.149 -3.803 4.352 67 HE1 TYR 9 HE2 TYR 9 -3.980 -7.756 2.245 68 HE2 TYR 9 HE1 TYR 9 -7.488 -5.845 3.867 69 HH TYR 9 HH TYR 9 -7.472 -7.971 2.994 70 H ARG 10 H ARG 10 -0.666 -2.109 3.741 71 HA ARG 10 HA ARG 10 -0.791 0.142 5.674 72 HB2 ARG 10 2HB ARG 10 1.084 -1.105 6.471 73 HB3 ARG 10 3HB ARG 10 1.599 -1.506 4.852 74 HG2 ARG 10 2HG ARG 10 3.197 -0.015 5.778 75 HG3 ARG 10 3HG ARG 10 2.369 0.834 4.483 76 HD2 ARG 10 2HD ARG 10 0.919 1.958 6.203 77 HD3 ARG 10 3HD ARG 10 1.797 1.093 7.475 78 HE ARG 10 HE ARG 10 3.542 2.699 5.781 79 HH11 ARG 10 1HH2 ARG 10 1.413 2.960 8.611 80 HH12 ARG 10 2HH2 ARG 10 2.156 4.463 9.073 81 HH21 ARG 10 1HH1 ARG 10 4.468 4.522 6.549 82 HH22 ARG 10 2HH1 ARG 10 3.828 5.307 7.979 83 H VAL 11 H VAL 11 -0.459 2.169 4.693 84 HA VAL 11 HA VAL 11 0.570 2.332 1.910 85 HB VAL 11 HB VAL 11 -1.980 2.205 1.974 86 HG11 VAL 11 1HG1 VAL 11 -1.804 5.109 2.899 87 HG12 VAL 11 2HG1 VAL 11 -3.259 4.151 2.549 88 HG13 VAL 11 3HG1 VAL 11 -2.243 3.771 3.954 89 HG21 VAL 11 3HG2 VAL 11 -0.618 3.186 0.043 90 HG22 VAL 11 1HG2 VAL 11 -2.251 3.836 0.199 91 HG23 VAL 11 2HG2 VAL 11 -0.849 4.777 0.757 92 H GLU 12 H GLU 12 1.591 4.308 1.396 93 HA GLU 12 HA GLU 12 1.446 6.630 3.074 94 HB2 GLU 12 2HB GLU 12 3.763 6.703 3.861 95 HB3 GLU 12 3HB GLU 12 2.971 5.296 4.549 96 HG2 GLU 12 2HG GLU 12 4.059 3.833 2.889 97 HG3 GLU 12 3HG GLU 12 4.806 5.241 2.118 98 H TYR 13 H TYR 13 2.445 8.392 2.220 99 HA TYR 13 HA TYR 13 3.795 8.238 -0.394 100 HB2 TYR 13 2HB TYR 13 3.809 10.473 1.653 101 HB3 TYR 13 3HB TYR 13 4.232 10.575 -0.052 102 HD1 TYR 13 HD1 TYR 13 2.102 9.334 -1.523 103 HD2 TYR 13 HD2 TYR 13 1.788 11.457 2.200 104 HE1 TYR 13 HE1 TYR 13 -0.152 10.170 -2.199 105 HE2 TYR 13 HE2 TYR 13 -0.463 12.307 1.535 106 HH TYR 13 HH TYR 13 -1.906 11.541 -1.660 107 H ALA 14 H ALA 14 5.914 7.791 -0.634 108 HA ALA 14 HA ALA 14 7.436 6.672 1.457 109 HB1 ALA 14 1HB ALA 14 8.194 7.650 -1.322 110 HB2 ALA 14 2HB ALA 14 9.216 6.622 -0.307 111 HB3 ALA 14 3HB ALA 14 7.640 6.025 -0.883 112 H LYS 15 H LYS 15 8.054 7.864 3.186 113 HA LYS 15 HA LYS 15 9.041 10.560 3.121 114 HB2 LYS 15 2HB LYS 15 8.030 9.396 5.095 115 HB3 LYS 15 3HB LYS 15 9.445 8.352 5.194 116 HG2 LYS 15 2HG LYS 15 9.574 10.075 6.871 117 HG3 LYS 15 3HG LYS 15 10.871 10.323 5.704 118 HD2 LYS 15 2HD LYS 15 9.595 12.156 4.640 119 HD3 LYS 15 3HD LYS 15 8.218 11.840 5.720 120 HE2 LYS 15 2HE LYS 15 9.670 12.349 7.684 121 HE3 LYS 15 3HE LYS 15 11.017 12.694 6.592 122 HZ1 LYS 15 3HZ LYS 15 9.867 14.728 7.253 123 HZ2 LYS 15 1HZ LYS 15 9.690 14.515 5.646 124 HZ3 LYS 15 2HZ LYS 15 8.447 14.191 6.658 125 H SER 16 H SER 16 10.650 7.461 2.804 126 HA SER 16 HA SER 16 13.074 8.725 1.721 127 HB2 SER 16 2HB SER 16 14.571 7.468 3.222 128 HB3 SER 16 3HB SER 16 13.541 8.587 4.131 129 HG SER 16 HG SER 16 13.523 6.607 5.175 130 H GLY 17 H GLY 17 14.473 7.143 0.639 131 HA2 GLY 17 2HA GLY 17 12.972 5.159 -0.860 132 HA3 GLY 17 3HA GLY 17 14.664 5.602 -1.068 133 H ARG 18 H ARG 18 13.259 4.399 1.973 134 HA ARG 18 HA ARG 18 15.358 2.321 2.089 135 HB2 ARG 18 2HB ARG 18 13.444 3.423 4.184 136 HB3 ARG 18 3HB ARG 18 14.692 2.225 4.513 137 HG2 ARG 18 2HG ARG 18 15.239 5.047 3.500 138 HG3 ARG 18 3HG ARG 18 15.351 4.508 5.175 139 HD2 ARG 18 2HD ARG 18 17.112 2.844 4.477 140 HD3 ARG 18 3HD ARG 18 17.036 3.503 2.844 141 HE ARG 18 HE ARG 18 18.174 5.411 3.504 142 HH11 ARG 18 1HH2 ARG 18 17.428 3.604 6.419 143 HH12 ARG 18 2HH2 ARG 18 18.491 4.578 7.396 144 HH21 ARG 18 1HH1 ARG 18 19.504 6.605 4.813 145 HH22 ARG 18 2HH1 ARG 18 19.629 6.230 6.506 146 H ALA 19 H ALA 19 12.363 2.106 0.846 147 HA ALA 19 HA ALA 19 12.040 -0.741 1.704 148 HB1 ALA 19 1HB ALA 19 9.661 -0.518 1.243 149 HB2 ALA 19 2HB ALA 19 10.160 0.665 2.467 150 HB3 ALA 19 3HB ALA 19 9.874 1.179 0.785 151 H SER 20 H SER 20 11.471 -2.278 0.106 152 HA SER 20 HA SER 20 11.850 -1.477 -2.723 153 HB2 SER 20 2HB SER 20 13.396 -3.664 -1.293 154 HB3 SER 20 3HB SER 20 13.307 -3.493 -3.057 155 HG SER 20 HG SER 20 15.159 -2.462 -2.039 156 H CYS 21 HN CYS 21 11.091 -2.994 -4.279 157 HA CYS 21 HA CYS 21 8.438 -3.813 -3.405 158 HB2 CYS 21 2HB CYS 21 8.919 -2.403 -5.366 159 HB3 CYS 21 3HB CYS 21 9.760 -3.762 -6.131 160 H LYS 22 H LYS 22 7.927 -5.746 -2.769 161 HA LYS 22 HA LYS 22 9.608 -8.097 -3.170 162 HB2 LYS 22 2HB LYS 22 6.764 -7.934 -2.129 163 HB3 LYS 22 3HB LYS 22 7.875 -9.256 -1.856 164 HG2 LYS 22 2HG LYS 22 8.208 -6.404 -0.820 165 HG3 LYS 22 3HG LYS 22 7.523 -7.720 0.099 166 HD2 LYS 22 2HD LYS 22 10.371 -7.611 -0.974 167 HD3 LYS 22 3HD LYS 22 9.871 -7.249 0.692 168 HE2 LYS 22 2HE LYS 22 8.984 -9.566 0.932 169 HE3 LYS 22 3HE LYS 22 9.549 -9.946 -0.700 170 HZ1 LYS 22 3HZ LYS 22 11.157 -10.657 0.968 171 HZ2 LYS 22 1HZ LYS 22 11.825 -9.485 0.050 172 HZ3 LYS 22 2HZ LYS 22 11.304 -9.144 1.562 173 H LYS 23 H LYS 23 7.314 -6.665 -5.171 174 HA LYS 23 HA LYS 23 6.388 -9.246 -6.351 175 HB2 LYS 23 2HB LYS 23 4.656 -7.754 -5.506 176 HB3 LYS 23 3HB LYS 23 5.234 -6.449 -6.539 177 HG2 LYS 23 2HG LYS 23 3.215 -7.490 -7.446 178 HG3 LYS 23 3HG LYS 23 4.576 -7.688 -8.548 179 HD2 LYS 23 2HD LYS 23 4.869 -10.043 -7.769 180 HD3 LYS 23 3HD LYS 23 3.515 -9.830 -6.636 181 HE2 LYS 23 2HE LYS 23 2.014 -9.348 -8.539 182 HE3 LYS 23 3HE LYS 23 3.368 -9.496 -9.667 183 HZ1 LYS 23 3HZ LYS 23 2.047 -11.544 -9.547 184 HZ2 LYS 23 1HZ LYS 23 3.570 -11.832 -9.039 185 HZ3 LYS 23 2HZ LYS 23 2.354 -11.711 -7.955 186 H CYS 24 HN CYS 24 7.674 -6.086 -7.508 187 HA CYS 24 HA CYS 24 8.410 -7.485 -10.033 188 HB2 CYS 24 2HB CYS 24 8.299 -5.542 -11.236 189 HB3 CYS 24 3HB CYS 24 6.832 -5.603 -10.267 190 H SER 25 H SER 25 9.872 -6.843 -7.227 191 HA SER 25 HA SER 25 11.971 -6.931 -6.482 192 HB2 SER 25 2HB SER 25 12.676 -8.060 -9.197 193 HB3 SER 25 3HB SER 25 13.622 -8.210 -7.707 194 HG SER 25 HG SER 25 12.299 -10.051 -8.092 195 H GLU 26 H GLU 26 11.200 -4.423 -7.957 196 HA GLU 26 HA GLU 26 13.921 -3.203 -8.247 197 HB2 GLU 26 2HB GLU 26 11.172 -2.089 -8.913 198 HB3 GLU 26 3HB GLU 26 12.690 -1.222 -9.098 199 HG2 GLU 26 2HG GLU 26 11.823 -3.702 -10.626 200 HG3 GLU 26 3HG GLU 26 11.940 -2.061 -11.243 201 H SER 27 H SER 27 13.495 -0.663 -7.317 202 HA SER 27 HA SER 27 12.810 -1.045 -4.449 203 HB2 SER 27 2HB SER 27 15.217 -0.775 -4.983 204 HB3 SER 27 3HB SER 27 14.840 0.866 -5.562 205 HG SER 27 HG SER 27 14.520 -0.235 -2.950 206 H ILE 28 H ILE 28 12.066 0.906 -3.328 207 HA ILE 28 HA ILE 28 10.074 2.200 -5.116 208 HB ILE 28 HB ILE 28 9.791 1.606 -2.160 209 HG12 ILE 28 2HG1 ILE 28 8.426 0.060 -4.401 210 HG13 ILE 28 3HG1 ILE 28 9.918 -0.501 -3.661 211 HG21 ILE 28 1HG2 ILE 28 7.812 2.486 -4.321 212 HG22 ILE 28 2HG2 ILE 28 7.384 2.038 -2.673 213 HG23 ILE 28 3HG2 ILE 28 8.376 3.477 -2.966 214 HD11 ILE 28 3HD1 ILE 28 7.289 -0.106 -2.196 215 HD12 ILE 28 1HD1 ILE 28 8.100 -1.623 -2.594 216 HD13 ILE 28 2HD1 ILE 28 8.839 -0.516 -1.427 217 HA PRO 29 HA PRO 29 12.705 5.629 -3.909 218 HB2 PRO 29 2HB PRO 29 11.861 7.565 -5.656 219 HB3 PRO 29 3HB PRO 29 12.814 6.140 -6.156 220 HG2 PRO 29 2HG PRO 29 9.800 6.487 -6.256 221 HG3 PRO 29 3HG PRO 29 10.892 5.935 -7.568 222 HD2 PRO 29 2HD PRO 29 9.541 4.166 -6.017 223 HD3 PRO 29 3HD PRO 29 11.230 3.839 -6.522 224 H LYS 30 H LYS 30 12.697 7.654 -2.937 225 HA LYS 30 HA LYS 30 10.680 8.461 -1.090 226 HB2 LYS 30 2HB LYS 30 13.123 9.019 -1.034 227 HB3 LYS 30 3HB LYS 30 12.898 10.057 -2.443 228 HG2 LYS 30 2HG LYS 30 11.352 11.501 -1.085 229 HG3 LYS 30 3HG LYS 30 11.673 10.465 0.320 230 HD2 LYS 30 2HD LYS 30 14.117 11.044 0.132 231 HD3 LYS 30 3HD LYS 30 13.748 12.021 -1.290 232 HE2 LYS 30 2HE LYS 30 13.859 13.643 0.340 233 HE3 LYS 30 3HE LYS 30 12.123 13.345 0.231 234 HZ1 LYS 30 3HZ LYS 30 12.378 11.869 2.217 235 HZ2 LYS 30 1HZ LYS 30 13.964 12.255 2.300 236 HZ3 LYS 30 2HZ LYS 30 12.838 13.408 2.536 237 H ASP 31 H ASP 31 9.165 10.098 -1.144 238 HA ASP 31 HA ASP 31 7.430 11.257 -1.948 239 HB2 ASP 31 2HB ASP 31 9.320 12.832 -2.298 240 HB3 ASP 31 3HB ASP 31 9.385 12.345 -3.991 241 H SER 32 H SER 32 7.394 8.656 -2.807 242 HA SER 32 HA SER 32 5.519 8.899 -5.083 243 HB2 SER 32 2HB SER 32 7.699 7.890 -5.890 244 HB3 SER 32 3HB SER 32 7.411 6.536 -4.777 245 HG SER 32 HG SER 32 6.609 6.174 -6.933 246 H LEU 33 H LEU 33 3.946 7.017 -5.048 247 HA LEU 33 HA LEU 33 3.049 6.657 -2.253 248 HB2 LEU 33 2HB LEU 33 1.517 7.614 -3.968 249 HB3 LEU 33 3HB LEU 33 1.658 6.121 -4.898 250 HG LEU 33 HG LEU 33 0.666 4.879 -2.929 251 HD11 LEU 33 1HD1 LEU 33 1.097 6.517 -1.122 252 HD12 LEU 33 2HD1 LEU 33 0.022 7.679 -1.920 253 HD13 LEU 33 3HD1 LEU 33 -0.623 6.158 -1.278 254 HD21 LEU 33 3HD2 LEU 33 -1.028 7.140 -4.049 255 HD22 LEU 33 1HD2 LEU 33 -0.671 5.613 -4.895 256 HD23 LEU 33 2HD2 LEU 33 -1.624 5.590 -3.396 257 H ARG 34 H ARG 34 3.041 4.753 -1.191 258 HA ARG 34 HA ARG 34 3.593 2.212 -2.627 259 HB2 ARG 34 2HB ARG 34 5.396 1.606 -1.212 260 HB3 ARG 34 3HB ARG 34 5.753 3.180 -1.944 261 HG2 ARG 34 2HG ARG 34 5.454 4.347 0.095 262 HG3 ARG 34 3HG ARG 34 4.629 2.973 0.847 263 HD2 ARG 34 2HD ARG 34 6.753 3.019 1.838 264 HD3 ARG 34 3HD ARG 34 6.748 1.658 0.739 265 HE ARG 34 HE ARG 34 8.088 2.983 -0.851 266 HH11 ARG 34 1HH2 ARG 34 8.101 4.365 2.434 267 HH12 ARG 34 2HH2 ARG 34 9.790 4.786 2.259 268 HH21 ARG 34 1HH1 ARG 34 10.234 3.760 -0.931 269 HH22 ARG 34 2HH1 ARG 34 10.799 4.645 0.455 270 H MET 35 H MET 35 3.218 0.338 -1.402 271 HA MET 35 HA MET 35 1.451 0.582 0.946 272 HB2 MET 35 2HB MET 35 0.802 -0.923 -1.620 273 HB3 MET 35 3HB MET 35 0.030 -1.291 -0.067 274 HG2 MET 35 2HG MET 35 -0.749 1.034 0.101 275 HG3 MET 35 3HG MET 35 -0.055 1.383 -1.486 276 HE1 MET 35 3HE MET 35 -2.343 -1.615 -0.035 277 HE2 MET 35 1HE MET 35 -2.936 -0.060 0.598 278 HE3 MET 35 2HE MET 35 -3.924 -0.984 -0.557 279 H ALA 36 H ALA 36 1.204 -1.450 2.117 280 HA ALA 36 HA ALA 36 3.319 -3.435 1.636 281 HB1 ALA 36 1HB ALA 36 4.692 -2.760 3.257 282 HB2 ALA 36 2HB ALA 36 3.635 -1.383 3.605 283 HB3 ALA 36 3HB ALA 36 3.406 -2.925 4.455 284 H ILE 37 H ILE 37 3.078 -5.390 3.006 285 HA ILE 37 HA ILE 37 0.280 -5.817 3.974 286 HB ILE 37 HB ILE 37 1.849 -7.251 1.918 287 HG12 ILE 37 2HG1 ILE 37 -1.113 -7.248 2.634 288 HG13 ILE 37 3HG1 ILE 37 -0.326 -5.966 1.712 289 HG21 ILE 37 1HG2 ILE 37 0.257 -8.911 3.898 290 HG22 ILE 37 2HG2 ILE 37 0.954 -9.451 2.337 291 HG23 ILE 37 3HG2 ILE 37 2.025 -8.968 3.639 292 HD11 ILE 37 3HD1 ILE 37 -1.436 -7.452 0.174 293 HD12 ILE 37 1HD1 ILE 37 0.319 -7.602 -0.035 294 HD13 ILE 37 2HD1 ILE 37 -0.580 -8.860 0.838 295 H MET 38 H MET 38 -0.033 -6.963 5.773 296 HA MET 38 HA MET 38 2.356 -7.286 7.495 297 HB2 MET 38 2HB MET 38 -0.593 -7.390 8.182 298 HB3 MET 38 3HB MET 38 0.729 -7.268 9.333 299 HG2 MET 38 2HG MET 38 0.382 -5.078 7.271 300 HG3 MET 38 3HG MET 38 -0.744 -5.201 8.586 301 HE1 MET 38 3HE MET 38 3.176 -6.073 8.994 302 HE2 MET 38 1HE MET 38 2.892 -5.051 7.568 303 HE3 MET 38 2HE MET 38 3.771 -4.398 8.985 304 H VAL 39 H VAL 39 3.327 -9.173 7.128 305 HA VAL 39 HA VAL 39 1.661 -11.665 7.299 306 HB VAL 39 HB VAL 39 2.912 -11.581 5.272 307 HG11 VAL 39 1HG1 VAL 39 5.348 -11.702 5.206 308 HG12 VAL 39 2HG1 VAL 39 4.807 -10.159 5.884 309 HG13 VAL 39 3HG1 VAL 39 5.442 -11.433 6.956 310 HG21 VAL 39 3HG2 VAL 39 4.159 -13.647 7.111 311 HG22 VAL 39 1HG2 VAL 39 2.543 -13.768 6.368 312 HG23 VAL 39 2HG2 VAL 39 3.989 -13.723 5.351 313 H GLN 40 H GLN 40 1.968 -13.153 8.836 314 HA GLN 40 HA GLN 40 3.155 -12.316 11.335 315 HB2 GLN 40 2HB GLN 40 2.543 -14.721 11.995 316 HB3 GLN 40 3HB GLN 40 1.251 -13.579 11.628 317 HG2 GLN 40 2HG GLN 40 0.885 -14.542 9.430 318 HG3 GLN 40 3HG GLN 40 2.296 -15.591 9.594 319 HE21 GLN 40 2HE2 GLN 40 0.316 -17.097 8.943 320 HE22 GLN 40 1HE2 GLN 40 -0.488 -17.840 10.320 321 H SER 41 H SER 41 5.129 -12.582 12.113 322 HA SER 41 HA SER 41 7.125 -13.890 10.390 323 HB2 SER 41 2HB SER 41 7.503 -11.608 11.028 324 HB3 SER 41 3HB SER 41 7.419 -12.042 12.748 325 HG SER 41 HG SER 41 9.583 -11.950 11.450 326 HA PRO 42 HA PRO 42 7.861 -17.169 13.315 327 HB2 PRO 42 2HB PRO 42 10.314 -17.603 11.626 328 HB3 PRO 42 3HB PRO 42 9.111 -18.800 12.186 329 HG2 PRO 42 2HG PRO 42 9.096 -17.913 9.615 330 HG3 PRO 42 3HG PRO 42 7.555 -18.142 10.508 331 HD2 PRO 42 2HD PRO 42 9.088 -15.560 10.059 332 HD3 PRO 42 3HD PRO 42 7.340 -15.897 9.867 333 H MET 43 H MET 43 9.858 -14.442 12.612 334 HA MET 43 HA MET 43 11.838 -15.066 14.767 335 HB2 MET 43 2HB MET 43 12.023 -13.378 12.271 336 HB3 MET 43 3HB MET 43 13.254 -13.379 13.528 337 HG2 MET 43 2HG MET 43 14.029 -15.461 13.049 338 HG3 MET 43 3HG MET 43 12.465 -16.087 12.548 339 HE1 MET 43 3HE MET 43 12.009 -15.072 8.914 340 HE2 MET 43 1HE MET 43 11.503 -16.134 10.249 341 HE3 MET 43 2HE MET 43 11.320 -14.378 10.403 342 H PHE 44 H PHE 44 9.386 -12.745 13.846 343 HA PHE 44 HA PHE 44 10.193 -10.888 16.045 344 HB2 PHE 44 2HB PHE 44 10.297 -9.834 13.881 345 HB3 PHE 44 3HB PHE 44 8.687 -10.389 13.466 346 HD1 PHE 44 HD2 PHE 44 10.529 -8.182 15.880 347 HD2 PHE 44 HD1 PHE 44 6.781 -9.077 13.944 348 HE1 PHE 44 HE2 PHE 44 9.540 -6.105 16.822 349 HE2 PHE 44 HE1 PHE 44 5.796 -7.000 14.882 350 HZ PHE 44 HZ PHE 44 7.173 -5.516 16.329 351 H ASP 45 H ASP 45 8.522 -9.919 17.284 352 HA ASP 45 HA ASP 45 6.613 -11.943 18.193 353 HB2 ASP 45 2HB ASP 45 8.202 -10.789 19.710 354 HB3 ASP 45 3HB ASP 45 7.366 -9.266 19.409 355 H GLY 46 H GLY 46 5.707 -11.196 15.815 356 HA2 GLY 46 2HA GLY 46 3.040 -10.554 15.904 357 HA3 GLY 46 3HA GLY 46 3.818 -8.966 15.870 358 H LYS 47 H LYS 47 3.027 -8.442 13.852 359 HA LYS 47 HA LYS 47 3.935 -10.108 11.551 360 HB2 LYS 47 2HB LYS 47 1.657 -8.117 11.474 361 HB3 LYS 47 3HB LYS 47 2.100 -9.346 10.292 362 HG2 LYS 47 2HG LYS 47 1.734 -10.948 12.475 363 HG3 LYS 47 3HG LYS 47 0.661 -9.626 12.921 364 HD2 LYS 47 2HD LYS 47 0.623 -11.321 10.408 365 HD3 LYS 47 3HD LYS 47 -0.515 -11.429 11.751 366 HE2 LYS 47 2HE LYS 47 -0.198 -9.111 9.793 367 HE3 LYS 47 3HE LYS 47 -1.474 -10.320 9.765 368 HZ1 LYS 47 3HZ LYS 47 -1.061 -8.327 11.954 369 HZ2 LYS 47 1HZ LYS 47 -2.205 -8.260 10.812 370 HZ3 LYS 47 2HZ LYS 47 -2.245 -9.471 11.923 371 H VAL 48 H VAL 48 4.742 -9.247 9.731 372 HA VAL 48 HA VAL 48 6.198 -6.667 10.106 373 HB VAL 48 HB VAL 48 8.148 -7.727 9.054 374 HG11 VAL 48 1HG1 VAL 48 8.834 -9.050 10.988 375 HG12 VAL 48 2HG1 VAL 48 7.896 -7.650 11.530 376 HG13 VAL 48 3HG1 VAL 48 7.148 -9.260 11.496 377 HG21 VAL 48 3HG2 VAL 48 6.602 -10.351 9.289 378 HG22 VAL 48 1HG2 VAL 48 7.046 -9.547 7.772 379 HG23 VAL 48 2HG2 VAL 48 8.308 -10.170 8.844 380 HA PRO 49 HA PRO 49 4.559 -5.606 6.251 381 HB2 PRO 49 2HB PRO 49 5.944 -3.374 5.539 382 HB3 PRO 49 3HB PRO 49 4.914 -3.450 6.999 383 HG2 PRO 49 2HG PRO 49 7.920 -3.836 6.821 384 HG3 PRO 49 3HG PRO 49 7.001 -2.810 7.967 385 HD2 PRO 49 2HD PRO 49 7.862 -5.336 8.606 386 HD3 PRO 49 3HD PRO 49 6.331 -4.658 9.234 387 H HIS 50 H HIS 50 4.590 -6.482 4.267 388 HA HIS 50 HA HIS 50 7.148 -6.680 2.710 389 HB2 HIS 50 2HB HIS 50 4.442 -8.048 2.526 390 HB3 HIS 50 3HB HIS 50 5.519 -7.973 1.141 391 HD2 HIS 50 HD2 HIS 50 6.743 -8.550 4.755 392 HE1 HIS 50 HE1 HIS 50 7.510 -12.142 2.591 393 HE2 HIS 50 HE2 HIS 50 7.904 -10.928 4.795 394 H TRP 51 H TRP 51 7.580 -4.789 1.743 395 HA TRP 51 HA TRP 51 5.444 -2.925 1.068 396 HB2 TRP 51 2HB TRP 51 8.445 -2.764 0.682 397 HB3 TRP 51 3HB TRP 51 7.296 -1.462 0.402 398 HD1 TRP 51 HD1 TRP 51 9.175 -3.222 3.148 399 HE1 TRP 51 HE1 TRP 51 8.854 -1.987 5.371 400 HE3 TRP 51 HE3 TRP 51 5.440 0.016 1.749 401 HZ2 TRP 51 HZ2 TRP 51 7.170 0.090 6.429 402 HZ3 TRP 51 HZ3 TRP 51 4.472 1.594 3.431 403 HH2 TRP 51 HH2 TRP 51 5.373 1.663 5.743 404 H TYR 52 H TYR 52 4.861 -2.216 -0.951 405 HA TYR 52 HA TYR 52 6.329 -3.064 -3.327 406 HB2 TYR 52 2HB TYR 52 3.466 -3.523 -3.762 407 HB3 TYR 52 3HB TYR 52 4.900 -4.416 -4.273 408 HD1 TYR 52 HD2 TYR 52 2.662 -4.010 -1.257 409 HD2 TYR 52 HD1 TYR 52 5.301 -6.532 -3.539 410 HE1 TYR 52 HE2 TYR 52 1.964 -6.007 0.107 411 HE2 TYR 52 HE1 TYR 52 4.574 -8.508 -2.206 412 HH TYR 52 HH TYR 52 3.305 -9.269 -0.500 413 H HIS 53 H HIS 53 5.587 -1.897 -5.258 414 HA HIS 53 HA HIS 53 4.934 0.888 -4.881 415 HB2 HIS 53 2HB HIS 53 4.529 -0.832 -7.362 416 HB3 HIS 53 3HB HIS 53 4.535 0.914 -7.307 417 HD2 HIS 53 HD2 HIS 53 6.897 2.130 -6.559 418 HE1 HIS 53 HE1 HIS 53 9.415 -1.028 -7.901 419 HE2 HIS 53 HE2 HIS 53 9.362 1.381 -7.132 420 H PHE 54 H PHE 54 2.911 2.012 -5.407 421 HA PHE 54 HA PHE 54 0.654 1.052 -4.100 422 HB2 PHE 54 2HB PHE 54 0.776 3.346 -4.545 423 HB3 PHE 54 3HB PHE 54 1.027 3.116 -6.266 424 HD1 PHE 54 HD2 PHE 54 -1.643 2.456 -3.627 425 HD2 PHE 54 HD1 PHE 54 -0.747 3.429 -7.743 426 HE1 PHE 54 HE2 PHE 54 -4.063 2.607 -4.133 427 HE2 PHE 54 HE1 PHE 54 -3.176 3.604 -8.216 428 HZ PHE 54 HZ PHE 54 -4.830 3.131 -6.427 429 H SER 55 H SER 55 1.383 0.629 -7.611 430 HA SER 55 HA SER 55 -1.167 -0.680 -8.187 431 HB2 SER 55 2HB SER 55 -0.085 -1.043 -10.412 432 HB3 SER 55 3HB SER 55 -0.199 0.653 -9.898 433 HG SER 55 HG SER 55 1.893 0.107 -10.746 434 H CYS 56 HN CYS 56 2.230 -1.696 -7.662 435 HA CYS 56 HA CYS 56 1.992 -4.363 -8.319 436 HB2 CYS 56 2HB CYS 56 3.744 -2.966 -6.291 437 HB3 CYS 56 3HB CYS 56 3.917 -4.675 -6.690 438 H PHE 57 H PHE 57 1.102 -2.843 -5.223 439 HA PHE 57 HA PHE 57 0.586 -5.035 -3.543 440 HB2 PHE 57 2HB PHE 57 0.398 -2.736 -2.861 441 HB3 PHE 57 3HB PHE 57 -0.979 -2.470 -3.923 442 HD1 PHE 57 HD2 PHE 57 -3.148 -3.723 -3.501 443 HD2 PHE 57 HD1 PHE 57 0.075 -3.657 -0.641 444 HE1 PHE 57 HE2 PHE 57 -4.698 -4.522 -1.756 445 HE2 PHE 57 HE1 PHE 57 -1.528 -4.297 1.147 446 HZ PHE 57 HZ PHE 57 -3.898 -4.805 0.572 447 H TRP 58 H TRP 58 -1.683 -3.614 -5.954 448 HA TRP 58 HA TRP 58 -3.703 -5.642 -5.528 449 HB2 TRP 58 2HB TRP 58 -3.463 -3.729 -7.865 450 HB3 TRP 58 3HB TRP 58 -4.914 -4.511 -7.239 451 HD1 TRP 58 HD1 TRP 58 -2.712 -1.511 -6.800 452 HE1 TRP 58 HE1 TRP 58 -3.472 -0.014 -4.886 453 HE3 TRP 58 HE3 TRP 58 -6.382 -4.516 -4.859 454 HZ2 TRP 58 HZ2 TRP 58 -5.504 -0.062 -2.799 455 HZ3 TRP 58 HZ3 TRP 58 -7.706 -3.756 -2.913 456 HH2 TRP 58 HH2 TRP 58 -7.267 -1.534 -1.881 457 H LYS 59 H LYS 59 -1.015 -5.274 -7.759 458 HA LYS 59 HA LYS 59 -1.610 -7.451 -9.543 459 HB2 LYS 59 2HB LYS 59 -0.072 -5.437 -9.834 460 HB3 LYS 59 3HB LYS 59 1.075 -6.280 -8.785 461 HG2 LYS 59 2HG LYS 59 1.391 -8.036 -10.394 462 HG3 LYS 59 3HG LYS 59 0.034 -7.446 -11.374 463 HD2 LYS 59 2HD LYS 59 2.162 -6.761 -12.401 464 HD3 LYS 59 3HD LYS 59 1.238 -5.361 -11.850 465 HE2 LYS 59 2HE LYS 59 2.700 -5.609 -9.652 466 HE3 LYS 59 3HE LYS 59 3.769 -6.566 -10.667 467 HZ1 LYS 59 3HZ LYS 59 4.202 -4.100 -10.472 468 HZ2 LYS 59 1HZ LYS 59 4.136 -4.645 -12.035 469 HZ3 LYS 59 2HZ LYS 59 2.886 -3.815 -11.366 470 H VAL 60 H VAL 60 -0.279 -7.428 -6.250 471 HA VAL 60 HA VAL 60 0.605 -10.203 -6.312 472 HB VAL 60 HB VAL 60 -0.522 -8.855 -3.845 473 HG11 VAL 60 1HG1 VAL 60 1.686 -10.933 -4.233 474 HG12 VAL 60 2HG1 VAL 60 1.165 -10.249 -2.678 475 HG13 VAL 60 3HG1 VAL 60 0.063 -11.262 -3.593 476 HG21 VAL 60 3HG2 VAL 60 1.083 -7.254 -4.566 477 HG22 VAL 60 1HG2 VAL 60 1.856 -8.193 -3.325 478 HG23 VAL 60 2HG2 VAL 60 2.259 -8.507 -5.027 479 H GLY 61 H GLY 61 -2.560 -8.788 -6.435 480 HA2 GLY 61 2HA GLY 61 -4.534 -9.932 -6.919 481 HA3 GLY 61 3HA GLY 61 -3.862 -11.441 -6.301 482 H HIS 62 H HIS 62 -3.376 -8.830 -4.121 483 HA HIS 62 HA HIS 62 -5.401 -9.836 -2.241 484 HB2 HIS 62 2HB HIS 62 -3.199 -7.767 -2.070 485 HB3 HIS 62 3HB HIS 62 -4.462 -7.862 -0.847 486 HD2 HIS 62 HD2 HIS 62 -1.749 -10.198 -2.397 487 HE1 HIS 62 HE1 HIS 62 -2.635 -11.655 1.508 488 HE2 HIS 62 HE2 HIS 62 -1.142 -11.958 -0.532 489 H SER 63 H SER 63 -7.016 -8.613 -1.273 490 HA SER 63 HA SER 63 -8.014 -6.190 -2.647 491 HB2 SER 63 2HB SER 63 -9.065 -8.180 -3.746 492 HB3 SER 63 3HB SER 63 -9.753 -8.638 -2.173 493 HG SER 63 HG SER 63 -11.192 -7.362 -3.472 494 H ILE 64 H ILE 64 -9.673 -5.084 -1.381 495 HA ILE 64 HA ILE 64 -9.293 -5.435 1.564 496 HB ILE 64 HB ILE 64 -8.945 -2.787 0.124 497 HG12 ILE 64 2HG1 ILE 64 -6.751 -4.704 1.003 498 HG13 ILE 64 3HG1 ILE 64 -7.105 -4.167 -0.636 499 HG21 ILE 64 1HG2 ILE 64 -8.283 -3.684 2.963 500 HG22 ILE 64 2HG2 ILE 64 -7.987 -2.080 2.287 501 HG23 ILE 64 3HG2 ILE 64 -9.644 -2.644 2.483 502 HD11 ILE 64 3HD1 ILE 64 -6.676 -1.751 0.299 503 HD12 ILE 64 1HD1 ILE 64 -5.811 -2.638 1.585 504 HD13 ILE 64 2HD1 ILE 64 -5.322 -2.805 -0.103 505 H ARG 65 H ARG 65 -11.179 -5.395 2.551 506 HA ARG 65 HA ARG 65 -13.607 -4.596 1.081 507 HB2 ARG 65 2HB ARG 65 -14.801 -5.629 3.030 508 HB3 ARG 65 3HB ARG 65 -13.843 -6.703 2.029 509 HG2 ARG 65 2HG ARG 65 -12.599 -5.560 4.534 510 HG3 ARG 65 3HG ARG 65 -13.794 -6.847 4.680 511 HD2 ARG 65 2HD ARG 65 -12.499 -8.361 3.340 512 HD3 ARG 65 3HD ARG 65 -11.345 -7.114 2.888 513 HE ARG 65 HE ARG 65 -10.662 -6.944 5.278 514 HH11 ARG 65 1HH2 ARG 65 -11.993 -10.035 4.242 515 HH12 ARG 65 2HH2 ARG 65 -11.371 -10.848 5.652 516 HH21 ARG 65 1HH1 ARG 65 -10.153 -7.953 7.077 517 HH22 ARG 65 2HH1 ARG 65 -10.279 -9.702 7.216 518 H HIS 66 H HIS 66 -11.721 -3.294 3.634 519 HA HIS 66 HA HIS 66 -13.206 -0.781 3.569 520 HB2 HIS 66 2HB HIS 66 -13.378 -0.706 6.106 521 HB3 HIS 66 3HB HIS 66 -14.584 -1.593 5.202 522 HD2 HIS 66 HD2 HIS 66 -11.361 -3.557 5.869 523 HE1 HIS 66 HE1 HIS 66 -14.237 -4.938 8.691 524 HE2 HIS 66 HE2 HIS 66 -11.917 -5.355 7.694 525 HA PRO 67 HA PRO 67 -8.679 -0.558 3.901 526 HB2 PRO 67 2HB PRO 67 -8.244 1.713 2.352 527 HB3 PRO 67 3HB PRO 67 -8.426 0.066 1.677 528 HG2 PRO 67 2HG PRO 67 -10.539 2.198 1.996 529 HG3 PRO 67 3HG PRO 67 -10.188 1.192 0.549 530 HD2 PRO 67 2HD PRO 67 -12.205 0.567 2.231 531 HD3 PRO 67 3HD PRO 67 -11.174 -0.728 1.547 532 H ASP 68 H ASP 68 -11.044 1.967 4.641 533 HA ASP 68 HA ASP 68 -9.231 3.643 6.098 534 HB2 ASP 68 2HB ASP 68 -11.417 4.405 5.251 535 HB3 ASP 68 3HB ASP 68 -12.248 3.235 6.273 536 H VAL 69 H VAL 69 -10.503 0.538 6.771 537 HA VAL 69 HA VAL 69 -10.047 0.727 9.696 538 HB VAL 69 HB VAL 69 -11.357 -1.470 8.060 539 HG11 VAL 69 1HG1 VAL 69 -11.194 -1.082 11.074 540 HG12 VAL 69 2HG1 VAL 69 -12.184 -2.301 10.238 541 HG13 VAL 69 3HG1 VAL 69 -10.427 -2.381 10.130 542 HG21 VAL 69 3HG2 VAL 69 -12.612 0.673 9.825 543 HG22 VAL 69 1HG2 VAL 69 -12.747 0.564 8.057 544 HG23 VAL 69 2HG2 VAL 69 -13.474 -0.686 9.066 545 H GLU 70 H GLU 70 -8.988 -0.987 6.768 546 HA GLU 70 HA GLU 70 -7.012 -2.547 8.406 547 HB2 GLU 70 2HB GLU 70 -8.403 -3.167 5.780 548 HB3 GLU 70 3HB GLU 70 -7.127 -4.173 6.491 549 HG2 GLU 70 2HG GLU 70 -8.447 -4.525 8.516 550 HG3 GLU 70 3HG GLU 70 -9.751 -3.524 7.877 551 H VAL 71 H VAL 71 -6.957 -0.141 5.933 552 HA VAL 71 HA VAL 71 -4.073 -0.669 5.286 553 HB VAL 71 HB VAL 71 -5.881 1.477 4.198 554 HG11 VAL 71 1HG1 VAL 71 -3.463 2.004 4.291 555 HG12 VAL 71 2HG1 VAL 71 -3.101 0.478 3.461 556 HG13 VAL 71 3HG1 VAL 71 -4.047 1.748 2.633 557 HG21 VAL 71 3HG2 VAL 71 -4.806 -1.102 2.969 558 HG22 VAL 71 1HG2 VAL 71 -6.486 -0.865 3.452 559 HG23 VAL 71 2HG2 VAL 71 -5.801 0.121 2.146 560 H ASP 72 H ASP 72 -2.978 -0.349 7.074 561 HA ASP 72 HA ASP 72 -3.219 1.863 8.897 562 HB2 ASP 72 2HB ASP 72 -2.095 -0.267 9.329 563 HB3 ASP 72 3HB ASP 72 -0.876 0.086 8.105 564 H GLY 73 H GLY 73 -2.208 3.894 8.871 565 HA2 GLY 73 2HA GLY 73 -1.061 5.735 8.053 566 HA3 GLY 73 3HA GLY 73 -0.373 4.737 6.774 567 H PHE 74 H PHE 74 -3.661 4.254 6.476 568 HA PHE 74 HA PHE 74 -4.061 5.836 4.154 569 HB2 PHE 74 2HB PHE 74 -5.325 3.828 4.726 570 HB3 PHE 74 3HB PHE 74 -6.016 4.616 6.139 571 HD1 PHE 74 HD2 PHE 74 -5.992 4.542 2.416 572 HD2 PHE 74 HD1 PHE 74 -7.964 6.023 5.956 573 HE1 PHE 74 HE2 PHE 74 -7.950 5.263 1.045 574 HE2 PHE 74 HE1 PHE 74 -9.910 6.723 4.574 575 HZ PHE 74 HZ PHE 74 -9.873 6.373 2.123 576 H SER 75 H SER 75 -4.481 6.696 7.543 577 HA SER 75 HA SER 75 -5.958 9.136 7.243 578 HB2 SER 75 2HB SER 75 -4.914 9.587 9.524 579 HB3 SER 75 3HB SER 75 -5.893 8.114 9.375 580 HG SER 75 HG SER 75 -3.873 7.760 10.458 581 H GLU 76 H GLU 76 -2.575 8.406 6.601 582 HA GLU 76 HA GLU 76 -1.723 11.214 6.860 583 HB2 GLU 76 2HB GLU 76 -0.228 8.757 5.865 584 HB3 GLU 76 3HB GLU 76 0.480 10.338 6.142 585 HG2 GLU 76 2HG GLU 76 -0.785 8.604 8.312 586 HG3 GLU 76 3HG GLU 76 0.931 8.719 7.967 587 H LEU 77 H LEU 77 -3.171 9.334 4.400 588 HA LEU 77 HA LEU 77 -1.979 10.647 2.088 589 HB2 LEU 77 2HB LEU 77 -4.495 8.990 2.420 590 HB3 LEU 77 3HB LEU 77 -3.874 9.555 0.876 591 HG LEU 77 HG LEU 77 -2.434 7.614 2.745 592 HD11 LEU 77 1HD1 LEU 77 -3.010 5.993 0.929 593 HD12 LEU 77 2HD1 LEU 77 -4.455 6.669 1.700 594 HD13 LEU 77 3HD1 LEU 77 -3.935 7.253 0.104 595 HD21 LEU 77 3HD2 LEU 77 -1.720 8.528 -0.069 596 HD22 LEU 77 1HD2 LEU 77 -0.809 8.891 1.417 597 HD23 LEU 77 2HD2 LEU 77 -0.925 7.230 0.852 598 H ARG 78 H ARG 78 -2.968 12.109 0.666 599 HA ARG 78 HA ARG 78 -4.892 14.029 1.807 600 HB2 ARG 78 2HB ARG 78 -3.483 13.779 -0.890 601 HB3 ARG 78 3HB ARG 78 -4.786 14.931 -0.658 602 HG2 ARG 78 2HG ARG 78 -2.245 14.885 1.026 603 HG3 ARG 78 3HG ARG 78 -2.541 15.936 -0.366 604 HD2 ARG 78 2HD ARG 78 -4.584 16.838 0.787 605 HD3 ARG 78 3HD ARG 78 -4.176 15.916 2.222 606 HE ARG 78 HE ARG 78 -2.890 18.360 1.242 607 HH11 ARG 78 1HH2 ARG 78 -2.397 15.640 3.406 608 HH12 ARG 78 2HH2 ARG 78 -1.208 16.497 4.347 609 HH21 ARG 78 1HH1 ARG 78 -1.369 19.380 2.483 610 HH22 ARG 78 2HH1 ARG 78 -0.645 18.555 3.833 611 H TRP 79 H TRP 79 -6.835 14.618 0.769 612 HA TRP 79 HA TRP 79 -8.630 12.525 0.834 613 HB2 TRP 79 2HB TRP 79 -9.776 14.384 1.243 614 HB3 TRP 79 3HB TRP 79 -8.708 15.390 0.293 615 HD1 TRP 79 HD1 TRP 79 -12.031 13.583 0.061 616 HE1 TRP 79 HE1 TRP 79 -13.253 14.335 -2.075 617 HE3 TRP 79 HE3 TRP 79 -8.232 16.185 -2.147 618 HZ2 TRP 79 HZ2 TRP 79 -12.638 15.871 -4.458 619 HZ3 TRP 79 HZ3 TRP 79 -8.548 17.257 -4.363 620 HH2 TRP 79 HH2 TRP 79 -10.748 17.112 -5.527 621 H ASP 80 H ASP 80 -7.242 13.966 -2.156 622 HA ASP 80 HA ASP 80 -8.794 12.450 -3.986 623 HB2 ASP 80 2HB ASP 80 -7.480 14.505 -4.496 624 HB3 ASP 80 3HB ASP 80 -5.991 13.571 -4.338 625 H ASP 81 H ASP 81 -6.027 11.447 -2.119 626 HA ASP 81 HA ASP 81 -5.496 9.044 -3.786 627 HB2 ASP 81 2HB ASP 81 -4.056 10.293 -1.431 628 HB3 ASP 81 3HB ASP 81 -3.770 8.627 -1.924 629 H GLN 82 H GLN 82 -6.866 10.040 -0.614 630 HA GLN 82 HA GLN 82 -7.552 7.411 0.273 631 HB2 GLN 82 2HB GLN 82 -8.820 10.135 0.742 632 HB3 GLN 82 3HB GLN 82 -9.428 8.657 1.489 633 HG2 GLN 82 2HG GLN 82 -7.246 8.233 2.530 634 HG3 GLN 82 3HG GLN 82 -6.582 9.692 1.789 635 HE21 GLN 82 2HE2 GLN 82 -6.525 9.279 4.584 636 HE22 GLN 82 1HE2 GLN 82 -7.577 10.503 5.306 637 H GLN 83 H GLN 83 -9.454 9.729 -1.771 638 HA GLN 83 HA GLN 83 -11.667 8.010 -2.249 639 HB2 GLN 83 2HB GLN 83 -10.405 10.089 -4.095 640 HB3 GLN 83 3HB GLN 83 -11.962 9.304 -4.367 641 HG2 GLN 83 2HG GLN 83 -12.724 10.237 -2.123 642 HG3 GLN 83 3HG GLN 83 -11.264 11.227 -2.133 643 HE21 GLN 83 2HE2 GLN 83 -10.980 12.291 -4.599 644 HE22 GLN 83 1HE2 GLN 83 -12.445 13.121 -5.084 645 H LYS 84 H LYS 84 -8.467 8.051 -3.863 646 HA LYS 84 HA LYS 84 -9.331 6.249 -5.993 647 HB2 LYS 84 2HB LYS 84 -7.941 8.158 -6.471 648 HB3 LYS 84 3HB LYS 84 -6.748 7.647 -5.282 649 HG2 LYS 84 2HG LYS 84 -7.316 5.618 -7.398 650 HG3 LYS 84 3HG LYS 84 -6.675 7.138 -8.020 651 HD2 LYS 84 2HD LYS 84 -5.410 5.633 -5.708 652 HD3 LYS 84 3HD LYS 84 -4.920 5.418 -7.411 653 HE2 LYS 84 2HE LYS 84 -4.303 7.785 -7.592 654 HE3 LYS 84 3HE LYS 84 -4.943 8.112 -5.985 655 HZ1 LYS 84 3HZ LYS 84 -2.473 6.683 -6.651 656 HZ2 LYS 84 1HZ LYS 84 -2.750 7.911 -5.567 657 HZ3 LYS 84 2HZ LYS 84 -3.226 6.396 -5.218 658 H VAL 85 H VAL 85 -7.389 6.035 -2.985 659 HA VAL 85 HA VAL 85 -6.719 3.223 -3.356 660 HB VAL 85 HB VAL 85 -6.914 4.994 -0.902 661 HG11 VAL 85 1HG1 VAL 85 -6.096 2.050 -0.957 662 HG12 VAL 85 2HG1 VAL 85 -5.793 3.164 0.388 663 HG13 VAL 85 3HG1 VAL 85 -7.451 2.763 -0.044 664 HG21 VAL 85 3HG2 VAL 85 -4.517 3.582 -2.142 665 HG22 VAL 85 1HG2 VAL 85 -4.967 5.263 -2.499 666 HG23 VAL 85 2HG2 VAL 85 -4.508 4.799 -0.856 667 H LYS 86 H LYS 86 -9.509 4.882 -1.746 668 HA LYS 86 HA LYS 86 -10.971 2.485 -1.125 669 HB2 LYS 86 2HB LYS 86 -11.899 5.329 -1.694 670 HB3 LYS 86 3HB LYS 86 -12.976 4.026 -1.185 671 HG2 LYS 86 2HG LYS 86 -11.725 3.747 0.919 672 HG3 LYS 86 3HG LYS 86 -10.567 4.976 0.434 673 HD2 LYS 86 2HD LYS 86 -12.053 6.088 1.902 674 HD3 LYS 86 3HD LYS 86 -12.563 6.607 0.288 675 HE2 LYS 86 2HE LYS 86 -14.332 4.789 0.372 676 HE3 LYS 86 3HE LYS 86 -13.789 4.407 2.016 677 HZ1 LYS 86 3HZ LYS 86 -14.919 7.023 1.160 678 HZ2 LYS 86 1HZ LYS 86 -15.708 5.900 2.039 679 HZ3 LYS 86 2HZ LYS 86 -14.419 6.670 2.676 680 H LYS 87 H LYS 87 -11.116 4.540 -4.082 681 HA LYS 87 HA LYS 87 -13.008 2.882 -5.465 682 HB2 LYS 87 2HB LYS 87 -12.473 5.185 -6.085 683 HB3 LYS 87 3HB LYS 87 -10.869 4.679 -6.653 684 HG2 LYS 87 2HG LYS 87 -11.828 3.326 -8.411 685 HG3 LYS 87 3HG LYS 87 -13.458 3.459 -7.712 686 HD2 LYS 87 2HD LYS 87 -13.493 5.857 -8.144 687 HD3 LYS 87 3HD LYS 87 -11.845 5.789 -8.818 688 HE2 LYS 87 2HE LYS 87 -12.640 4.232 -10.588 689 HE3 LYS 87 3HE LYS 87 -14.273 4.289 -9.914 690 HZ1 LYS 87 3HZ LYS 87 -12.817 6.623 -11.045 691 HZ2 LYS 87 1HZ LYS 87 -14.034 5.823 -11.781 692 HZ3 LYS 87 2HZ LYS 87 -14.328 6.674 -10.422 693 H THR 88 H THR 88 -9.422 2.744 -5.487 694 HA THR 88 HA THR 88 -9.230 0.554 -7.275 695 HB THR 88 HB THR 88 -7.211 1.294 -5.138 696 HG1 THR 88 1HG THR 88 -7.647 3.064 -6.398 697 HG21 THR 88 1HG2 THR 88 -7.016 -0.032 -7.870 698 HG22 THR 88 2HG2 THR 88 -5.631 0.407 -6.852 699 HG23 THR 88 3HG2 THR 88 -6.759 -0.855 -6.320 700 H ALA 89 H ALA 89 -9.794 0.607 -3.766 701 HA ALA 89 HA ALA 89 -9.425 -2.218 -3.333 702 HB1 ALA 89 1HB ALA 89 -10.970 -0.119 -1.755 703 HB2 ALA 89 2HB ALA 89 -10.471 -1.713 -1.185 704 HB3 ALA 89 3HB ALA 89 -9.245 -0.494 -1.566 705 H GLU 90 H GLU 90 -12.224 -0.152 -4.215 706 HA GLU 90 HA GLU 90 -14.077 -2.378 -4.272 707 HB2 GLU 90 2HB GLU 90 -14.236 0.398 -5.509 708 HB3 GLU 90 3HB GLU 90 -15.535 -0.795 -5.565 709 HG2 GLU 90 2HG GLU 90 -15.546 -0.866 -3.060 710 HG3 GLU 90 3HG GLU 90 -14.364 0.443 -3.044 711 H ALA 91 H ALA 91 -12.023 -0.828 -6.699 712 HA ALA 91 HA ALA 91 -13.051 -2.275 -8.967 713 HB1 ALA 91 1HB ALA 91 -10.526 -0.612 -8.551 714 HB2 ALA 91 2HB ALA 91 -11.204 -1.092 -10.122 715 HB3 ALA 91 3HB ALA 91 -12.105 0.007 -9.056 716 H GLY 92 H GLY 92 -10.566 -3.044 -6.628 717 HA2 GLY 92 2HA GLY 92 -9.421 -5.029 -6.299 718 HA3 GLY 92 3HA GLY 92 -10.031 -5.667 -7.827 719 H GLY 93 H GLY 93 -8.560 -2.555 -8.161 720 HA2 GLY 93 2HA GLY 93 -5.971 -2.543 -8.137 721 HA3 GLY 93 3HA GLY 93 -6.127 -3.736 -9.424 722 H VAL 94 H VAL 94 -4.960 -1.050 -9.319 723 HA VAL 94 HA VAL 94 -5.839 -0.174 -11.952 724 HB VAL 94 HB VAL 94 -7.170 1.149 -10.113 725 HG11 VAL 94 1HG1 VAL 94 -4.626 2.826 -10.100 726 HG12 VAL 94 2HG1 VAL 94 -6.155 3.153 -9.269 727 HG13 VAL 94 3HG1 VAL 94 -5.151 1.788 -8.755 728 HG21 VAL 94 3HG2 VAL 94 -7.276 3.103 -11.511 729 HG22 VAL 94 1HG2 VAL 94 -5.751 2.693 -12.313 730 HG23 VAL 94 2HG2 VAL 94 -7.184 1.658 -12.526 731 H THR 95 H THR 95 -4.244 1.406 -12.893 732 HA THR 95 HA THR 95 -1.518 1.102 -11.711 733 HB THR 95 HB THR 95 -0.646 0.853 -14.007 734 HG1 THR 95 1HG THR 95 -2.117 0.294 -15.633 735 HG21 THR 95 1HG2 THR 95 -2.719 -1.267 -13.254 736 HG22 THR 95 2HG2 THR 95 -1.279 -1.497 -14.274 737 HG23 THR 95 3HG2 THR 95 -1.100 -1.130 -12.549 738 H GLY 96 H GLY 96 0.013 2.673 -12.108 739 HA2 GLY 96 2HA GLY 96 -1.072 5.393 -12.243 740 HA3 GLY 96 3HA GLY 96 0.559 4.909 -11.803 741 H LYS 97 H LYS 97 0.598 7.020 -13.156 742 HA LYS 97 HA LYS 97 1.580 6.340 -15.892 743 HB2 LYS 97 2HB LYS 97 -0.123 8.761 -15.150 744 HB3 LYS 97 3HB LYS 97 0.747 8.567 -16.675 745 HG2 LYS 97 2HG LYS 97 -0.561 6.494 -17.153 746 HG3 LYS 97 3HG LYS 97 -1.499 6.768 -15.672 747 HD2 LYS 97 2HD LYS 97 -2.263 8.957 -16.551 748 HD3 LYS 97 3HD LYS 97 -1.327 8.685 -18.038 749 HE2 LYS 97 2HE LYS 97 -2.650 6.625 -18.485 750 HE3 LYS 97 3HE LYS 97 -3.587 6.906 -17.013 751 HZ1 LYS 97 3HZ LYS 97 -4.747 7.748 -18.974 752 HZ2 LYS 97 1HZ LYS 97 -4.373 8.998 -17.994 753 HZ3 LYS 97 2HZ LYS 97 -3.507 8.736 -19.356 754 H GLY 98 H GLY 98 3.166 7.843 -16.712 755 HA2 GLY 98 2HA GLY 98 5.083 9.162 -16.543 756 HA3 GLY 98 3HA GLY 98 4.606 9.652 -14.921 757 H GLN 99 H GLN 99 7.029 9.410 -14.711 758 HA GLN 99 HA GLN 99 8.159 6.717 -14.640 759 HB2 GLN 99 2HB GLN 99 9.296 9.412 -13.818 760 HB3 GLN 99 3HB GLN 99 10.190 7.884 -13.805 761 HG2 GLN 99 2HG GLN 99 9.802 7.629 -16.248 762 HG3 GLN 99 3HG GLN 99 8.953 9.175 -16.279 763 HE21 GLN 99 2HE2 GLN 99 10.907 9.190 -18.022 764 HE22 GLN 99 1HE2 GLN 99 12.341 10.006 -17.408 765 H ASP 100 H ASP 100 8.557 5.425 -12.955 766 HA ASP 100 HA ASP 100 8.539 6.313 -10.182 767 HB2 ASP 100 2HB ASP 100 6.111 5.899 -10.654 768 HB3 ASP 100 3HB ASP 100 6.508 4.248 -11.129 769 H GLY 101 H GLY 101 9.188 4.508 -8.730 770 HA2 GLY 101 2HA GLY 101 10.468 2.635 -8.188 771 HA3 GLY 101 3HA GLY 101 10.530 2.151 -9.872 772 H ILE 102 H ILE 102 12.670 2.043 -8.012 773 HA ILE 102 HA ILE 102 14.702 3.470 -9.567 774 HB ILE 102 HB ILE 102 14.186 4.987 -7.711 775 HG12 ILE 102 2HG1 ILE 102 16.400 5.414 -6.829 776 HG13 ILE 102 3HG1 ILE 102 16.968 3.825 -7.326 777 HG21 ILE 102 1HG2 ILE 102 13.541 3.259 -5.992 778 HG22 ILE 102 2HG2 ILE 102 15.276 2.916 -5.782 779 HG23 ILE 102 3HG2 ILE 102 14.634 4.515 -5.404 780 HD11 ILE 102 3HD1 ILE 102 15.976 6.002 -9.222 781 HD12 ILE 102 1HD1 ILE 102 17.678 5.655 -8.854 782 HD13 ILE 102 2HD1 ILE 102 16.700 4.446 -9.698 783 H GLY 103 H GLY 103 16.867 2.544 -9.352 784 HA2 GLY 103 2HA GLY 103 16.749 -0.366 -9.196 785 HA3 GLY 103 3HA GLY 103 18.137 0.613 -9.652 786 H SER 104 H SER 104 17.897 -1.730 -7.861 787 HA SER 104 HA SER 104 19.794 -0.804 -5.867 788 HB2 SER 104 2HB SER 104 17.582 -0.481 -4.704 789 HB3 SER 104 3HB SER 104 17.292 -2.224 -4.868 790 HG SER 104 HG SER 104 18.259 -1.617 -2.842 791 H LYS 105 H LYS 105 20.821 -2.673 -4.749 792 HA LYS 105 HA LYS 105 20.459 -5.332 -5.957 793 HB2 LYS 105 2HB LYS 105 22.072 -3.929 -7.434 794 HB3 LYS 105 3HB LYS 105 23.195 -3.992 -6.085 795 HG2 LYS 105 2HG LYS 105 23.845 -5.682 -7.606 796 HG3 LYS 105 3HG LYS 105 23.107 -6.543 -6.256 797 HD2 LYS 105 2HD LYS 105 20.973 -6.713 -7.583 798 HD3 LYS 105 3HD LYS 105 21.762 -5.892 -8.927 799 HE2 LYS 105 2HE LYS 105 22.593 -8.576 -7.723 800 HE3 LYS 105 3HE LYS 105 21.631 -8.358 -9.187 801 HZ1 LYS 105 3HZ LYS 105 24.475 -7.583 -8.810 802 HZ2 LYS 105 1HZ LYS 105 23.885 -8.700 -9.830 803 HZ3 LYS 105 2HZ LYS 105 23.585 -7.122 -10.121 804 H ALA 106 H ALA 106 21.147 -7.004 -4.691 805 HA ALA 106 HA ALA 106 21.588 -6.481 -1.885 806 HB1 ALA 106 1HB ALA 106 21.395 -8.919 -1.690 807 HB2 ALA 106 2HB ALA 106 20.130 -8.285 -2.756 808 HB3 ALA 106 3HB ALA 106 21.557 -9.095 -3.450 809 H GLU 107 H GLU 107 23.881 -6.363 -4.260 810 HA GLU 107 HA GLU 107 26.028 -7.711 -2.801 811 HB2 GLU 107 2HB GLU 107 26.014 -5.996 -5.319 812 HB3 GLU 107 3HB GLU 107 27.446 -6.804 -4.668 813 HG2 GLU 107 2HG GLU 107 26.353 -9.006 -4.919 814 HG3 GLU 107 3HG GLU 107 24.912 -8.232 -5.580 815 H LYS 108 H LYS 108 24.561 -4.715 -2.408 816 HA LYS 108 HA LYS 108 26.870 -3.076 -1.736 817 HB2 LYS 108 2HB LYS 108 24.710 -2.191 -2.592 818 HB3 LYS 108 3HB LYS 108 23.920 -2.687 -1.088 819 HG2 LYS 108 2HG LYS 108 25.450 -1.193 0.198 820 HG3 LYS 108 3HG LYS 108 26.225 -0.690 -1.310 821 HD2 LYS 108 2HD LYS 108 23.286 -0.266 -0.598 822 HD3 LYS 108 3HD LYS 108 24.566 0.944 -0.434 823 HE2 LYS 108 2HE LYS 108 25.002 0.806 -2.889 824 HE3 LYS 108 3HE LYS 108 23.671 -0.348 -3.049 825 HZ1 LYS 108 3HZ LYS 108 22.946 1.913 -3.552 826 HZ2 LYS 108 1HZ LYS 108 22.161 1.379 -2.223 827 HZ3 LYS 108 2HZ LYS 108 23.391 2.445 -2.077 Start of MODEL 12 1 H1 MET 1 H1 MET 1 -5.238 -4.648 25.772 2 H2 MET 1 H2 MET 1 -6.454 -4.376 24.712 3 H3 MET 1 H3 MET 1 -5.603 -3.118 25.336 4 HA MET 1 HA MET 1 -4.490 -5.214 23.598 5 HB2 MET 1 2HB MET 1 -4.356 -3.615 21.801 6 HB3 MET 1 3HB MET 1 -6.025 -3.786 22.325 7 HG2 MET 1 2HG MET 1 -5.835 -1.640 23.583 8 HG3 MET 1 3HG MET 1 -4.162 -1.480 23.035 9 HE1 MET 1 1HE MET 1 -4.637 0.947 22.158 10 HE2 MET 1 2HE MET 1 -5.976 1.362 21.066 11 HE3 MET 1 3HE MET 1 -6.320 0.812 22.721 12 H ALA 2 H ALA 2 -2.339 -5.016 23.010 13 HA ALA 2 HA ALA 2 -0.636 -2.968 24.336 14 HB1 ALA 2 1HB ALA 2 0.830 -4.713 25.279 15 HB2 ALA 2 2HB ALA 2 -0.809 -4.855 25.933 16 HB3 ALA 2 3HB ALA 2 -0.257 -5.979 24.670 17 H GLU 3 H GLU 3 -1.383 -4.676 21.557 18 HA GLU 3 HA GLU 3 1.364 -4.603 20.415 19 HB2 GLU 3 2HB GLU 3 0.536 -6.232 18.802 20 HB3 GLU 3 3HB GLU 3 0.456 -6.818 20.453 21 HG2 GLU 3 2HG GLU 3 -1.985 -5.665 19.031 22 HG3 GLU 3 3HG GLU 3 -1.495 -7.339 18.850 23 H SER 4 H SER 4 1.729 -3.912 18.293 24 HA SER 4 HA SER 4 -0.124 -1.791 17.310 25 HB2 SER 4 2HB SER 4 1.928 -0.681 16.510 26 HB3 SER 4 3HB SER 4 1.919 -0.936 18.262 27 HG SER 4 HG SER 4 3.932 -1.529 17.322 28 H SER 5 H SER 5 0.665 -4.849 16.410 29 HA SER 5 HA SER 5 0.787 -4.285 13.486 30 HB2 SER 5 2HB SER 5 1.695 -6.525 13.234 31 HB3 SER 5 3HB SER 5 2.677 -5.561 14.339 32 HG SER 5 HG SER 5 2.021 -6.766 16.017 33 H ASP 6 H ASP 6 -1.680 -4.064 14.958 34 HA ASP 6 HA ASP 6 -3.143 -6.464 14.202 35 HB2 ASP 6 2HB ASP 6 -3.243 -5.442 16.484 36 HB3 ASP 6 3HB ASP 6 -4.109 -4.071 15.793 37 H LYS 7 H LYS 7 -2.353 -4.938 11.955 38 HA LYS 7 HA LYS 7 -4.887 -4.651 10.587 39 HB2 LYS 7 2HB LYS 7 -3.760 -2.447 9.495 40 HB3 LYS 7 3HB LYS 7 -5.033 -2.463 10.697 41 HG2 LYS 7 2HG LYS 7 -3.424 -0.822 11.300 42 HG3 LYS 7 3HG LYS 7 -3.398 -2.107 12.499 43 HD2 LYS 7 2HD LYS 7 -1.322 -3.031 11.446 44 HD3 LYS 7 3HD LYS 7 -1.384 -1.752 10.227 45 HE2 LYS 7 2HE LYS 7 -1.411 -0.093 12.228 46 HE3 LYS 7 3HE LYS 7 -1.011 -1.482 13.243 47 HZ1 LYS 7 3HZ LYS 7 1.007 -0.426 12.644 48 HZ2 LYS 7 1HZ LYS 7 0.977 -1.774 11.725 49 HZ3 LYS 7 2HZ LYS 7 0.610 -0.300 11.061 50 H LEU 8 H LEU 8 -4.768 -5.417 8.602 51 HA LEU 8 HA LEU 8 -2.475 -7.016 7.845 52 HB2 LEU 8 2HB LEU 8 -5.041 -6.206 6.395 53 HB3 LEU 8 3HB LEU 8 -3.969 -7.491 5.862 54 HG LEU 8 HG LEU 8 -5.491 -7.562 8.505 55 HD11 LEU 8 1HD1 LEU 8 -6.962 -7.470 6.526 56 HD12 LEU 8 2HD1 LEU 8 -6.076 -8.830 5.801 57 HD13 LEU 8 3HD1 LEU 8 -7.014 -9.072 7.303 58 HD21 LEU 8 3HD2 LEU 8 -3.482 -8.982 8.483 59 HD22 LEU 8 1HD2 LEU 8 -4.949 -9.973 8.399 60 HD23 LEU 8 2HD2 LEU 8 -3.981 -9.692 6.931 61 H TYR 9 H TYR 9 -3.451 -3.755 6.940 62 HA TYR 9 HA TYR 9 -1.707 -3.897 4.526 63 HB2 TYR 9 2HB TYR 9 -4.477 -2.686 4.730 64 HB3 TYR 9 3HB TYR 9 -3.453 -2.715 3.291 65 HD1 TYR 9 HD1 TYR 9 -2.546 -5.445 3.093 66 HD2 TYR 9 HD2 TYR 9 -6.382 -3.956 4.306 67 HE1 TYR 9 HE1 TYR 9 -3.563 -7.647 2.522 68 HE2 TYR 9 HE2 TYR 9 -7.411 -6.162 3.772 69 HH TYR 9 HH TYR 9 -5.444 -8.906 2.531 70 H ARG 10 H ARG 10 -0.893 -1.919 3.791 71 HA ARG 10 HA ARG 10 -1.035 0.426 5.578 72 HB2 ARG 10 2HB ARG 10 0.872 -0.624 6.473 73 HB3 ARG 10 3HB ARG 10 1.351 -1.269 4.922 74 HG2 ARG 10 2HG ARG 10 2.984 0.335 5.587 75 HG3 ARG 10 3HG ARG 10 2.142 0.934 4.176 76 HD2 ARG 10 2HD ARG 10 2.378 2.813 5.583 77 HD3 ARG 10 3HD ARG 10 0.701 2.331 5.769 78 HE ARG 10 HE ARG 10 1.207 1.384 7.953 79 HH11 ARG 10 1HH2 ARG 10 3.888 3.466 6.783 80 HH12 ARG 10 2HH2 ARG 10 4.460 3.613 8.413 81 HH21 ARG 10 1HH1 ARG 10 1.925 1.841 9.865 82 HH22 ARG 10 2HH1 ARG 10 3.416 2.738 10.114 83 H VAL 11 H VAL 11 -0.800 2.380 4.471 84 HA VAL 11 HA VAL 11 0.202 2.428 1.679 85 HB VAL 11 HB VAL 11 -2.344 2.229 1.748 86 HG11 VAL 11 1HG1 VAL 11 -2.249 5.172 2.568 87 HG12 VAL 11 2HG1 VAL 11 -3.682 4.184 2.219 88 HG13 VAL 11 3HG1 VAL 11 -2.686 3.868 3.656 89 HG21 VAL 11 3HG2 VAL 11 -1.000 3.179 -0.218 90 HG22 VAL 11 1HG2 VAL 11 -2.651 3.801 -0.090 91 HG23 VAL 11 2HG2 VAL 11 -1.273 4.788 0.441 92 H GLU 12 H GLU 12 1.345 4.306 1.190 93 HA GLU 12 HA GLU 12 1.052 6.748 2.734 94 HB2 GLU 12 2HB GLU 12 3.333 6.782 3.709 95 HB3 GLU 12 3HB GLU 12 2.372 5.491 4.400 96 HG2 GLU 12 2HG GLU 12 3.497 3.850 2.873 97 HG3 GLU 12 3HG GLU 12 4.476 5.166 2.214 98 H TYR 13 H TYR 13 2.195 8.473 2.088 99 HA TYR 13 HA TYR 13 3.661 8.471 -0.455 100 HB2 TYR 13 2HB TYR 13 3.520 10.567 1.743 101 HB3 TYR 13 3HB TYR 13 4.072 10.798 0.091 102 HD1 TYR 13 HD1 TYR 13 1.787 9.294 -1.341 103 HD2 TYR 13 HD2 TYR 13 1.759 12.110 1.916 104 HE1 TYR 13 HE1 TYR 13 -0.404 10.178 -2.126 105 HE2 TYR 13 HE2 TYR 13 -0.463 12.955 1.166 106 HH TYR 13 HH TYR 13 -2.016 11.776 -1.841 107 H ALA 14 H ALA 14 5.661 7.700 -0.569 108 HA ALA 14 HA ALA 14 7.090 6.678 1.650 109 HB1 ALA 14 1HB ALA 14 7.892 7.245 -1.235 110 HB2 ALA 14 2HB ALA 14 8.836 6.252 -0.106 111 HB3 ALA 14 3HB ALA 14 7.204 5.748 -0.603 112 H LYS 15 H LYS 15 8.300 7.695 3.126 113 HA LYS 15 HA LYS 15 9.379 10.418 2.628 114 HB2 LYS 15 2HB LYS 15 9.339 8.776 5.191 115 HB3 LYS 15 3HB LYS 15 9.723 10.486 5.047 116 HG2 LYS 15 2HG LYS 15 7.021 9.154 4.607 117 HG3 LYS 15 3HG LYS 15 7.479 10.211 5.925 118 HD2 LYS 15 2HD LYS 15 7.143 11.002 2.999 119 HD3 LYS 15 3HD LYS 15 6.030 11.363 4.303 120 HE2 LYS 15 2HE LYS 15 8.899 12.403 4.129 121 HE3 LYS 15 3HE LYS 15 7.469 13.291 3.603 122 HZ1 LYS 15 3HZ LYS 15 8.097 13.944 5.838 123 HZ2 LYS 15 1HZ LYS 15 6.641 13.216 5.893 124 HZ3 LYS 15 2HZ LYS 15 7.975 12.418 6.399 125 H SER 16 H SER 16 10.607 7.195 2.881 126 HA SER 16 HA SER 16 13.310 8.083 2.182 127 HB2 SER 16 2HB SER 16 13.335 8.085 4.667 128 HB3 SER 16 3HB SER 16 12.831 6.383 4.666 129 HG SER 16 HG SER 16 15.157 6.780 4.829 130 H GLY 17 H GLY 17 14.585 6.393 1.287 131 HA2 GLY 17 2HA GLY 17 12.946 4.606 -0.313 132 HA3 GLY 17 3HA GLY 17 14.661 4.946 -0.509 133 H ARG 18 H ARG 18 13.660 3.809 2.646 134 HA ARG 18 HA ARG 18 15.391 1.508 2.549 135 HB2 ARG 18 2HB ARG 18 13.224 2.247 4.549 136 HB3 ARG 18 3HB ARG 18 14.386 0.931 4.719 137 HG2 ARG 18 2HG ARG 18 16.188 2.847 4.284 138 HG3 ARG 18 3HG ARG 18 14.875 3.908 4.837 139 HD2 ARG 18 2HD ARG 18 14.651 2.453 6.876 140 HD3 ARG 18 3HD ARG 18 16.009 1.478 6.269 141 HE ARG 18 HE ARG 18 16.732 4.275 6.486 142 HH11 ARG 18 1HH2 ARG 18 16.324 1.453 8.607 143 HH12 ARG 18 2HH2 ARG 18 17.525 2.117 9.717 144 HH21 ARG 18 1HH1 ARG 18 18.237 4.879 7.990 145 HH22 ARG 18 2HH1 ARG 18 18.402 3.910 9.467 146 H ALA 19 H ALA 19 11.994 1.773 1.736 147 HA ALA 19 HA ALA 19 11.431 -1.073 2.025 148 HB1 ALA 19 1HB ALA 19 9.827 1.180 0.760 149 HB2 ALA 19 2HB ALA 19 9.244 -0.449 1.102 150 HB3 ALA 19 3HB ALA 19 9.696 0.614 2.449 151 H SER 20 H SER 20 11.207 -2.609 0.447 152 HA SER 20 HA SER 20 11.833 -1.892 -2.370 153 HB2 SER 20 2HB SER 20 12.997 -4.225 -0.824 154 HB3 SER 20 3HB SER 20 13.085 -4.035 -2.587 155 HG SER 20 HG SER 20 14.947 -3.219 -1.435 156 H CYS 21 HN CYS 21 10.933 -3.168 -3.982 157 HA CYS 21 HA CYS 21 8.196 -3.820 -3.234 158 HB2 CYS 21 2HB CYS 21 8.833 -2.344 -5.100 159 HB3 CYS 21 3HB CYS 21 9.602 -3.717 -5.916 160 H LYS 22 H LYS 22 7.562 -5.785 -2.677 161 HA LYS 22 HA LYS 22 9.152 -8.173 -3.155 162 HB2 LYS 22 2HB LYS 22 6.315 -7.939 -2.102 163 HB3 LYS 22 3HB LYS 22 7.358 -9.333 -1.911 164 HG2 LYS 22 2HG LYS 22 7.844 -6.566 -0.740 165 HG3 LYS 22 3HG LYS 22 7.133 -7.904 0.126 166 HD2 LYS 22 2HD LYS 22 9.959 -7.850 -1.025 167 HD3 LYS 22 3HD LYS 22 9.531 -7.533 0.662 168 HE2 LYS 22 2HE LYS 22 8.557 -9.821 0.849 169 HE3 LYS 22 3HE LYS 22 9.039 -10.157 -0.819 170 HZ1 LYS 22 3HZ LYS 22 10.679 -11.002 0.754 171 HZ2 LYS 22 1HZ LYS 22 11.361 -9.825 -0.146 172 HZ3 LYS 22 2HZ LYS 22 10.916 -9.522 1.398 173 H LYS 23 H LYS 23 7.046 -6.629 -5.218 174 HA LYS 23 HA LYS 23 6.115 -9.141 -6.549 175 HB2 LYS 23 2HB LYS 23 4.363 -7.628 -5.829 176 HB3 LYS 23 3HB LYS 23 5.102 -6.296 -6.713 177 HG2 LYS 23 2HG LYS 23 3.137 -7.190 -7.858 178 HG3 LYS 23 3HG LYS 23 4.583 -7.362 -8.850 179 HD2 LYS 23 2HD LYS 23 4.719 -9.762 -8.308 180 HD3 LYS 23 3HD LYS 23 3.360 -9.609 -7.174 181 HE2 LYS 23 2HE LYS 23 1.883 -8.919 -9.011 182 HE3 LYS 23 3HE LYS 23 3.230 -8.979 -10.155 183 HZ1 LYS 23 3HZ LYS 23 3.383 -11.372 -9.774 184 HZ2 LYS 23 1HZ LYS 23 2.174 -11.336 -8.674 185 HZ3 LYS 23 2HZ LYS 23 1.863 -11.000 -10.238 186 H CYS 24 HN CYS 24 7.559 -5.969 -7.494 187 HA CYS 24 HA CYS 24 8.447 -7.292 -10.007 188 HB2 CYS 24 2HB CYS 24 8.502 -5.283 -11.109 189 HB3 CYS 24 3HB CYS 24 6.969 -5.335 -10.248 190 H SER 25 H SER 25 9.764 -6.803 -7.078 191 HA SER 25 HA SER 25 11.806 -6.998 -6.214 192 HB2 SER 25 2HB SER 25 12.656 -8.044 -8.921 193 HB3 SER 25 3HB SER 25 13.504 -8.270 -7.382 194 HG SER 25 HG SER 25 12.168 -10.064 -7.918 195 H GLU 26 H GLU 26 11.201 -4.421 -7.720 196 HA GLU 26 HA GLU 26 13.945 -3.260 -7.882 197 HB2 GLU 26 2HB GLU 26 11.196 -2.071 -8.405 198 HB3 GLU 26 3HB GLU 26 12.711 -1.188 -8.543 199 HG2 GLU 26 2HG GLU 26 11.971 -3.612 -10.238 200 HG3 GLU 26 3HG GLU 26 11.792 -1.935 -10.722 201 H SER 27 H SER 27 13.892 -0.922 -6.744 202 HA SER 27 HA SER 27 12.850 -1.282 -3.969 203 HB2 SER 27 2HB SER 27 15.320 -1.395 -4.196 204 HB3 SER 27 3HB SER 27 15.250 0.337 -4.671 205 HG SER 27 HG SER 27 14.513 -0.902 -2.223 206 H ILE 28 H ILE 28 12.064 0.542 -2.875 207 HA ILE 28 HA ILE 28 10.503 2.016 -4.880 208 HB ILE 28 HB ILE 28 9.866 1.630 -1.944 209 HG12 ILE 28 2HG1 ILE 28 8.735 0.060 -4.307 210 HG13 ILE 28 3HG1 ILE 28 10.007 -0.553 -3.257 211 HG21 ILE 28 1HG2 ILE 28 8.149 2.519 -4.317 212 HG22 ILE 28 2HG2 ILE 28 7.560 2.236 -2.680 213 HG23 ILE 28 3HG2 ILE 28 8.686 3.556 -2.979 214 HD11 ILE 28 3HD1 ILE 28 7.958 -1.503 -2.511 215 HD12 ILE 28 1HD1 ILE 28 8.502 -0.346 -1.286 216 HD13 ILE 28 2HD1 ILE 28 7.170 0.074 -2.391 217 HA PRO 29 HA PRO 29 12.852 5.678 -3.640 218 HB2 PRO 29 2HB PRO 29 11.848 7.507 -5.405 219 HB3 PRO 29 3HB PRO 29 12.961 6.198 -5.890 220 HG2 PRO 29 2HG PRO 29 9.931 6.223 -6.070 221 HG3 PRO 29 3HG PRO 29 11.107 5.794 -7.354 222 HD2 PRO 29 2HD PRO 29 9.893 3.903 -5.824 223 HD3 PRO 29 3HD PRO 29 11.601 3.722 -6.335 224 H LYS 30 H LYS 30 12.521 7.690 -2.595 225 HA LYS 30 HA LYS 30 9.986 8.054 -1.178 226 HB2 LYS 30 2HB LYS 30 11.007 9.881 -0.049 227 HB3 LYS 30 3HB LYS 30 12.054 8.470 -0.012 228 HG2 LYS 30 2HG LYS 30 13.490 9.433 -1.756 229 HG3 LYS 30 3HG LYS 30 12.430 10.847 -1.897 230 HD2 LYS 30 2HD LYS 30 13.810 10.024 0.694 231 HD3 LYS 30 3HD LYS 30 14.535 11.141 -0.466 232 HE2 LYS 30 2HE LYS 30 12.900 12.807 -0.133 233 HE3 LYS 30 3HE LYS 30 11.749 11.685 0.598 234 HZ1 LYS 30 3HZ LYS 30 13.090 11.530 2.541 235 HZ2 LYS 30 1HZ LYS 30 14.304 12.442 1.897 236 HZ3 LYS 30 2HZ LYS 30 12.858 13.119 2.246 237 H ASP 31 H ASP 31 8.907 10.160 -1.129 238 HA ASP 31 HA ASP 31 7.399 11.463 -2.121 239 HB2 ASP 31 2HB ASP 31 9.464 12.823 -2.509 240 HB3 ASP 31 3HB ASP 31 9.511 12.208 -4.160 241 H SER 32 H SER 32 7.152 8.823 -2.714 242 HA SER 32 HA SER 32 5.453 8.946 -5.117 243 HB2 SER 32 2HB SER 32 7.699 7.918 -5.765 244 HB3 SER 32 3HB SER 32 7.298 6.575 -4.675 245 HG SER 32 HG SER 32 6.606 6.133 -6.803 246 H LEU 33 H LEU 33 4.000 6.878 -5.113 247 HA LEU 33 HA LEU 33 2.944 6.640 -2.340 248 HB2 LEU 33 2HB LEU 33 1.493 7.650 -4.092 249 HB3 LEU 33 3HB LEU 33 1.606 6.152 -5.017 250 HG LEU 33 HG LEU 33 0.540 4.954 -3.055 251 HD11 LEU 33 1HD1 LEU 33 -0.058 7.776 -2.090 252 HD12 LEU 33 2HD1 LEU 33 -0.762 6.281 -1.449 253 HD13 LEU 33 3HD1 LEU 33 0.962 6.591 -1.255 254 HD21 LEU 33 3HD2 LEU 33 -1.077 7.238 -4.241 255 HD22 LEU 33 1HD2 LEU 33 -0.728 5.701 -5.066 256 HD23 LEU 33 2HD2 LEU 33 -1.718 5.703 -3.593 257 H ARG 34 H ARG 34 2.910 4.749 -1.281 258 HA ARG 34 HA ARG 34 3.362 2.185 -2.706 259 HB2 ARG 34 2HB ARG 34 5.206 1.540 -1.334 260 HB3 ARG 34 3HB ARG 34 5.574 3.060 -2.149 261 HG2 ARG 34 2HG ARG 34 5.173 4.310 -0.056 262 HG3 ARG 34 3HG ARG 34 4.753 2.798 0.780 263 HD2 ARG 34 2HD ARG 34 7.004 1.893 0.322 264 HD3 ARG 34 3HD ARG 34 7.416 3.361 -0.581 265 HE ARG 34 HE ARG 34 6.613 3.770 2.244 266 HH11 ARG 34 1HH2 ARG 34 9.399 3.479 0.088 267 HH12 ARG 34 2HH2 ARG 34 10.427 4.252 1.276 268 HH21 ARG 34 1HH1 ARG 34 7.938 4.606 3.602 269 HH22 ARG 34 2HH1 ARG 34 9.683 4.699 3.283 270 H MET 35 H MET 35 3.096 0.326 -1.364 271 HA MET 35 HA MET 35 1.303 0.638 0.957 272 HB2 MET 35 2HB MET 35 0.749 -1.019 -1.541 273 HB3 MET 35 3HB MET 35 -0.079 -1.276 0.005 274 HG2 MET 35 2HG MET 35 -0.881 1.040 -0.021 275 HG3 MET 35 3HG MET 35 -0.111 1.302 -1.590 276 HE1 MET 35 3HE MET 35 -2.377 -1.682 -0.116 277 HE2 MET 35 1HE MET 35 -3.064 -0.125 0.428 278 HE3 MET 35 2HE MET 35 -3.955 -1.132 -0.732 279 H ALA 36 H ALA 36 1.054 -1.363 2.206 280 HA ALA 36 HA ALA 36 3.200 -3.336 1.845 281 HB1 ALA 36 1HB ALA 36 3.196 -2.504 4.648 282 HB2 ALA 36 2HB ALA 36 4.540 -2.724 3.523 283 HB3 ALA 36 3HB ALA 36 3.662 -1.183 3.559 284 H ILE 37 H ILE 37 3.013 -5.197 3.371 285 HA ILE 37 HA ILE 37 0.240 -5.607 4.378 286 HB ILE 37 HB ILE 37 1.722 -7.056 2.297 287 HG12 ILE 37 2HG1 ILE 37 -1.167 -7.267 3.217 288 HG13 ILE 37 3HG1 ILE 37 -0.550 -5.918 2.264 289 HG21 ILE 37 1HG2 ILE 37 0.388 -8.772 4.416 290 HG22 ILE 37 2HG2 ILE 37 0.993 -9.302 2.813 291 HG23 ILE 37 3HG2 ILE 37 2.129 -8.736 4.028 292 HD11 ILE 37 3HD1 ILE 37 0.071 -7.456 0.437 293 HD12 ILE 37 1HD1 ILE 37 -0.626 -8.811 1.360 294 HD13 ILE 37 2HD1 ILE 37 -1.660 -7.483 0.807 295 H MET 38 H MET 38 -0.028 -6.575 6.327 296 HA MET 38 HA MET 38 2.436 -7.082 7.868 297 HB2 MET 38 2HB MET 38 0.396 -5.656 8.610 298 HB3 MET 38 3HB MET 38 -0.412 -7.199 8.886 299 HG2 MET 38 2HG MET 38 0.412 -6.876 10.962 300 HG3 MET 38 3HG MET 38 1.826 -7.684 10.290 301 HE1 MET 38 3HE MET 38 3.898 -6.295 9.306 302 HE2 MET 38 1HE MET 38 2.913 -5.110 8.414 303 HE3 MET 38 2HE MET 38 4.171 -4.551 9.548 304 H VAL 39 H VAL 39 3.347 -8.980 7.916 305 HA VAL 39 HA VAL 39 1.612 -11.387 8.281 306 HB VAL 39 HB VAL 39 2.305 -11.308 5.937 307 HG11 VAL 39 1HG1 VAL 39 4.479 -10.152 6.150 308 HG12 VAL 39 2HG1 VAL 39 5.168 -11.595 6.925 309 HG13 VAL 39 3HG1 VAL 39 4.592 -11.670 5.248 310 HG21 VAL 39 3HG2 VAL 39 3.679 -13.597 7.364 311 HG22 VAL 39 1HG2 VAL 39 1.926 -13.479 7.062 312 HG23 VAL 39 2HG2 VAL 39 3.062 -13.558 5.708 313 H GLN 40 H GLN 40 2.366 -12.989 9.570 314 HA GLN 40 HA GLN 40 4.382 -12.335 11.573 315 HB2 GLN 40 2HB GLN 40 3.850 -14.730 12.316 316 HB3 GLN 40 3HB GLN 40 2.601 -13.500 12.475 317 HG2 GLN 40 2HG GLN 40 1.422 -14.303 10.505 318 HG3 GLN 40 3HG GLN 40 2.715 -15.441 10.129 319 HE21 GLN 40 2HE2 GLN 40 0.499 -16.767 10.170 320 HE22 GLN 40 1HE2 GLN 40 0.178 -17.545 11.714 321 H SER 41 H SER 41 6.484 -12.874 11.625 322 HA SER 41 HA SER 41 7.619 -14.122 9.219 323 HB2 SER 41 2HB SER 41 8.524 -12.001 10.070 324 HB3 SER 41 3HB SER 41 8.978 -12.825 11.574 325 HG SER 41 HG SER 41 10.061 -13.054 8.987 326 HA PRO 42 HA PRO 42 8.752 -17.845 11.384 327 HB2 PRO 42 2HB PRO 42 10.330 -18.408 8.889 328 HB3 PRO 42 3HB PRO 42 9.173 -19.466 9.747 329 HG2 PRO 42 2HG PRO 42 8.477 -18.225 7.424 330 HG3 PRO 42 3HG PRO 42 7.307 -18.350 8.781 331 HD2 PRO 42 2HD PRO 42 9.074 -15.989 8.050 332 HD3 PRO 42 3HD PRO 42 7.326 -16.028 8.438 333 H MET 43 H MET 43 10.799 -15.333 10.237 334 HA MET 43 HA MET 43 13.268 -16.502 11.467 335 HB2 MET 43 2HB MET 43 12.865 -14.572 9.181 336 HB3 MET 43 3HB MET 43 14.435 -14.856 9.929 337 HG2 MET 43 2HG MET 43 14.675 -16.963 9.102 338 HG3 MET 43 3HG MET 43 12.957 -17.323 9.122 339 HE1 MET 43 3HE MET 43 11.452 -15.276 7.590 340 HE2 MET 43 1HE MET 43 11.504 -15.896 5.920 341 HE3 MET 43 2HE MET 43 11.309 -17.016 7.290 342 H PHE 44 H PHE 44 11.111 -13.732 11.559 343 HA PHE 44 HA PHE 44 12.872 -12.316 13.508 344 HB2 PHE 44 2HB PHE 44 12.355 -11.017 11.534 345 HB3 PHE 44 3HB PHE 44 10.638 -11.309 11.724 346 HD1 PHE 44 HD2 PHE 44 13.577 -9.670 13.370 347 HD2 PHE 44 HD1 PHE 44 9.280 -9.891 13.062 348 HE1 PHE 44 HE2 PHE 44 13.366 -7.650 14.803 349 HE2 PHE 44 HE1 PHE 44 9.073 -7.867 14.487 350 HZ PHE 44 HZ PHE 44 11.115 -6.749 15.364 351 H ASP 45 H ASP 45 11.877 -11.331 15.337 352 HA ASP 45 HA ASP 45 10.161 -13.250 16.717 353 HB2 ASP 45 2HB ASP 45 12.311 -12.410 17.635 354 HB3 ASP 45 3HB ASP 45 11.611 -10.797 17.764 355 H GLY 46 H GLY 46 8.574 -12.130 14.865 356 HA2 GLY 46 2HA GLY 46 6.212 -11.352 16.008 357 HA3 GLY 46 3HA GLY 46 7.075 -9.819 15.860 358 H LYS 47 H LYS 47 5.681 -8.956 14.385 359 HA LYS 47 HA LYS 47 5.359 -10.328 11.755 360 HB2 LYS 47 2HB LYS 47 3.552 -8.162 12.866 361 HB3 LYS 47 3HB LYS 47 3.310 -9.167 11.437 362 HG2 LYS 47 2HG LYS 47 3.643 -11.092 13.419 363 HG3 LYS 47 3HG LYS 47 2.873 -9.802 14.327 364 HD2 LYS 47 2HD LYS 47 1.857 -11.154 11.803 365 HD3 LYS 47 3HD LYS 47 1.301 -11.488 13.438 366 HE2 LYS 47 2HE LYS 47 0.993 -8.815 11.999 367 HE3 LYS 47 3HE LYS 47 -0.236 -10.083 12.035 368 HZ1 LYS 47 3HZ LYS 47 -0.612 -8.386 13.730 369 HZ2 LYS 47 1HZ LYS 47 -0.345 -9.840 14.455 370 HZ3 LYS 47 2HZ LYS 47 0.811 -8.665 14.439 371 H VAL 48 H VAL 48 5.561 -9.281 9.857 372 HA VAL 48 HA VAL 48 7.335 -6.883 9.897 373 HB VAL 48 HB VAL 48 8.676 -7.972 8.140 374 HG11 VAL 48 1HG1 VAL 48 8.551 -9.579 10.730 375 HG12 VAL 48 2HG1 VAL 48 9.941 -9.429 9.641 376 HG13 VAL 48 3HG1 VAL 48 9.365 -8.013 10.534 377 HG21 VAL 48 3HG2 VAL 48 8.600 -10.411 7.827 378 HG22 VAL 48 1HG2 VAL 48 7.152 -10.521 8.844 379 HG23 VAL 48 2HG2 VAL 48 7.089 -9.668 7.291 380 HA PRO 49 HA PRO 49 4.694 -5.599 6.579 381 HB2 PRO 49 2HB PRO 49 5.861 -3.276 5.792 382 HB3 PRO 49 3HB PRO 49 5.098 -3.475 7.399 383 HG2 PRO 49 2HG PRO 49 8.043 -3.688 6.699 384 HG3 PRO 49 3HG PRO 49 7.287 -2.797 8.053 385 HD2 PRO 49 2HD PRO 49 8.361 -5.328 8.306 386 HD3 PRO 49 3HD PRO 49 6.985 -4.748 9.292 387 H HIS 50 H HIS 50 4.522 -6.450 4.569 388 HA HIS 50 HA HIS 50 6.905 -6.752 2.783 389 HB2 HIS 50 2HB HIS 50 4.100 -7.914 2.793 390 HB3 HIS 50 3HB HIS 50 5.128 -7.976 1.369 391 HD2 HIS 50 HD2 HIS 50 6.585 -8.537 4.897 392 HE1 HIS 50 HE1 HIS 50 6.632 -12.308 2.914 393 HE2 HIS 50 HE2 HIS 50 7.417 -11.043 4.980 394 H TRP 51 H TRP 51 7.365 -4.811 1.892 395 HA TRP 51 HA TRP 51 5.285 -2.937 1.145 396 HB2 TRP 51 2HB TRP 51 8.284 -2.907 0.723 397 HB3 TRP 51 3HB TRP 51 7.185 -1.581 0.367 398 HD1 TRP 51 HD1 TRP 51 8.978 -3.253 3.228 399 HE1 TRP 51 HE1 TRP 51 8.688 -1.870 5.371 400 HE3 TRP 51 HE3 TRP 51 5.459 0.075 1.564 401 HZ2 TRP 51 HZ2 TRP 51 7.049 0.322 6.286 402 HZ3 TRP 51 HZ3 TRP 51 4.518 1.779 3.115 403 HH2 TRP 51 HH2 TRP 51 5.309 1.905 5.469 404 H TYR 52 H TYR 52 4.694 -2.238 -0.876 405 HA TYR 52 HA TYR 52 6.126 -3.146 -3.242 406 HB2 TYR 52 2HB TYR 52 3.243 -3.538 -3.668 407 HB3 TYR 52 3HB TYR 52 4.659 -4.422 -4.239 408 HD1 TYR 52 HD1 TYR 52 2.721 -4.089 -0.980 409 HD2 TYR 52 HD2 TYR 52 4.752 -6.627 -3.806 410 HE1 TYR 52 HE1 TYR 52 1.990 -6.118 0.298 411 HE2 TYR 52 HE2 TYR 52 4.001 -8.635 -2.543 412 HH TYR 52 HH TYR 52 2.039 -8.405 0.424 413 H HIS 53 H HIS 53 5.482 -1.910 -5.167 414 HA HIS 53 HA HIS 53 4.826 0.875 -4.720 415 HB2 HIS 53 2HB HIS 53 4.496 -0.755 -7.270 416 HB3 HIS 53 3HB HIS 53 4.438 0.980 -7.156 417 HD2 HIS 53 HD2 HIS 53 6.724 2.290 -6.421 418 HE1 HIS 53 HE1 HIS 53 9.347 -0.692 -7.962 419 HE2 HIS 53 HE2 HIS 53 9.176 1.725 -7.200 420 H PHE 54 H PHE 54 2.838 2.028 -5.318 421 HA PHE 54 HA PHE 54 0.517 1.039 -4.151 422 HB2 PHE 54 2HB PHE 54 0.747 3.361 -4.555 423 HB3 PHE 54 3HB PHE 54 0.939 3.139 -6.287 424 HD1 PHE 54 HD1 PHE 54 -1.639 2.254 -3.634 425 HD2 PHE 54 HD2 PHE 54 -0.882 3.738 -7.617 426 HE1 PHE 54 HE1 PHE 54 -4.080 2.419 -4.047 427 HE2 PHE 54 HE2 PHE 54 -3.329 3.959 -7.987 428 HZ PHE 54 HZ PHE 54 -4.924 3.244 -6.224 429 H SER 55 H SER 55 1.413 0.726 -7.639 430 HA SER 55 HA SER 55 -1.133 -0.503 -8.378 431 HB2 SER 55 2HB SER 55 0.081 -0.799 -10.570 432 HB3 SER 55 3HB SER 55 -0.090 0.874 -9.999 433 HG SER 55 HG SER 55 2.054 0.417 -10.731 434 H CYS 56 HN CYS 56 2.254 -1.594 -7.935 435 HA CYS 56 HA CYS 56 2.042 -4.246 -8.577 436 HB2 CYS 56 2HB CYS 56 3.656 -2.842 -6.420 437 HB3 CYS 56 3HB CYS 56 3.891 -4.533 -6.833 438 H PHE 57 H PHE 57 1.076 -2.747 -5.478 439 HA PHE 57 HA PHE 57 0.582 -4.948 -3.809 440 HB2 PHE 57 2HB PHE 57 0.407 -2.584 -3.182 441 HB3 PHE 57 3HB PHE 57 -1.071 -2.426 -4.124 442 HD1 PHE 57 HD2 PHE 57 -3.124 -3.799 -3.480 443 HD2 PHE 57 HD1 PHE 57 0.375 -3.543 -0.977 444 HE1 PHE 57 HE2 PHE 57 -4.426 -4.690 -1.577 445 HE2 PHE 57 HE1 PHE 57 -0.962 -4.309 0.958 446 HZ PHE 57 HZ PHE 57 -3.354 -4.951 0.650 447 H TRP 58 H TRP 58 -1.717 -3.466 -6.145 448 HA TRP 58 HA TRP 58 -3.701 -5.554 -5.775 449 HB2 TRP 58 2HB TRP 58 -3.591 -3.531 -8.017 450 HB3 TRP 58 3HB TRP 58 -4.994 -4.348 -7.327 451 HD1 TRP 58 HD1 TRP 58 -2.787 -1.347 -6.939 452 HE1 TRP 58 HE1 TRP 58 -3.472 0.117 -4.969 453 HE3 TRP 58 HE3 TRP 58 -6.370 -4.386 -4.911 454 HZ2 TRP 58 HZ2 TRP 58 -5.479 0.060 -2.848 455 HZ3 TRP 58 HZ3 TRP 58 -7.657 -3.646 -2.933 456 HH2 TRP 58 HH2 TRP 58 -7.232 -1.412 -1.918 457 H LYS 59 H LYS 59 -0.995 -5.058 -7.970 458 HA LYS 59 HA LYS 59 -1.608 -7.058 -9.920 459 HB2 LYS 59 2HB LYS 59 0.187 -5.092 -9.775 460 HB3 LYS 59 3HB LYS 59 1.180 -6.323 -9.005 461 HG2 LYS 59 2HG LYS 59 1.781 -6.214 -11.240 462 HG3 LYS 59 3HG LYS 59 0.923 -7.749 -11.032 463 HD2 LYS 59 2HD LYS 59 -1.020 -6.925 -12.189 464 HD3 LYS 59 3HD LYS 59 -0.471 -5.234 -12.059 465 HE2 LYS 59 2HE LYS 59 1.464 -5.711 -13.474 466 HE3 LYS 59 3HE LYS 59 0.993 -7.411 -13.607 467 HZ1 LYS 59 3HZ LYS 59 -1.049 -6.693 -14.739 468 HZ2 LYS 59 1HZ LYS 59 -0.614 -5.121 -14.622 469 HZ3 LYS 59 2HZ LYS 59 0.256 -6.144 -15.548 470 H VAL 60 H VAL 60 -0.397 -7.329 -6.593 471 HA VAL 60 HA VAL 60 0.365 -10.133 -6.810 472 HB VAL 60 HB VAL 60 -0.742 -8.801 -4.326 473 HG11 VAL 60 1HG1 VAL 60 0.825 -10.413 -3.172 474 HG12 VAL 60 2HG1 VAL 60 -0.489 -11.207 -4.024 475 HG13 VAL 60 3HG1 VAL 60 1.138 -11.167 -4.746 476 HG21 VAL 60 3HG2 VAL 60 1.084 -7.393 -5.040 477 HG22 VAL 60 1HG2 VAL 60 1.608 -8.351 -3.683 478 HG23 VAL 60 2HG2 VAL 60 2.132 -8.803 -5.321 479 H GLY 61 H GLY 61 -2.738 -8.575 -6.863 480 HA2 GLY 61 2HA GLY 61 -4.705 -9.677 -7.554 481 HA3 GLY 61 3HA GLY 61 -4.158 -11.191 -6.839 482 H HIS 62 H HIS 62 -3.710 -8.524 -4.705 483 HA HIS 62 HA HIS 62 -5.705 -9.470 -2.841 484 HB2 HIS 62 2HB HIS 62 -4.012 -6.956 -2.838 485 HB3 HIS 62 3HB HIS 62 -5.021 -7.496 -1.496 486 HD2 HIS 62 HD2 HIS 62 -1.570 -7.586 -2.499 487 HE1 HIS 62 HE1 HIS 62 -1.960 -11.212 -0.291 488 HE2 HIS 62 HE2 HIS 62 -0.302 -9.576 -1.315 489 H SER 63 H SER 63 -7.549 -8.459 -2.061 490 HA SER 63 HA SER 63 -8.552 -5.963 -3.300 491 HB2 SER 63 2HB SER 63 -10.194 -8.516 -3.067 492 HB3 SER 63 3HB SER 63 -10.876 -6.903 -3.334 493 HG SER 63 HG SER 63 -8.993 -8.213 -5.028 494 H ILE 64 H ILE 64 -9.502 -4.628 -1.793 495 HA ILE 64 HA ILE 64 -9.286 -5.555 1.043 496 HB ILE 64 HB ILE 64 -8.806 -2.796 -0.113 497 HG12 ILE 64 2HG1 ILE 64 -6.836 -4.882 0.927 498 HG13 ILE 64 3HG1 ILE 64 -7.001 -4.339 -0.740 499 HG21 ILE 64 1HG2 ILE 64 -8.375 -3.822 2.728 500 HG22 ILE 64 2HG2 ILE 64 -8.030 -2.192 2.120 501 HG23 ILE 64 3HG2 ILE 64 -9.700 -2.748 2.213 502 HD11 ILE 64 3HD1 ILE 64 -6.456 -1.968 0.124 503 HD12 ILE 64 1HD1 ILE 64 -5.905 -2.787 1.608 504 HD13 ILE 64 2HD1 ILE 64 -5.142 -3.148 0.065 505 H ARG 65 H ARG 65 -11.123 -5.706 2.093 506 HA ARG 65 HA ARG 65 -13.595 -4.775 0.798 507 HB2 ARG 65 2HB ARG 65 -14.662 -6.234 2.637 508 HB3 ARG 65 3HB ARG 65 -13.822 -7.001 1.306 509 HG2 ARG 65 2HG ARG 65 -12.297 -6.480 3.862 510 HG3 ARG 65 3HG ARG 65 -13.487 -7.780 3.827 511 HD2 ARG 65 2HD ARG 65 -12.378 -8.975 2.109 512 HD3 ARG 65 3HD ARG 65 -11.356 -7.613 1.675 513 HE ARG 65 HE ARG 65 -11.149 -8.948 4.352 514 HH11 ARG 65 1HH2 ARG 65 -9.417 -8.079 1.353 515 HH12 ARG 65 2HH2 ARG 65 -7.893 -8.279 2.172 516 HH21 ARG 65 1HH1 ARG 65 -9.093 -9.272 5.163 517 HH22 ARG 65 2HH1 ARG 65 -7.717 -8.953 4.131 518 H HIS 66 H HIS 66 -11.778 -3.751 3.478 519 HA HIS 66 HA HIS 66 -13.637 -1.534 3.970 520 HB2 HIS 66 2HB HIS 66 -13.541 -1.831 6.449 521 HB3 HIS 66 3HB HIS 66 -14.600 -2.888 5.550 522 HD2 HIS 66 HD2 HIS 66 -11.101 -4.320 5.456 523 HE1 HIS 66 HE1 HIS 66 -13.086 -6.258 8.689 524 HE2 HIS 66 HE2 HIS 66 -11.031 -6.292 7.192 525 HA PRO 67 HA PRO 67 -9.164 -0.895 3.575 526 HB2 PRO 67 2HB PRO 67 -9.149 1.403 1.995 527 HB3 PRO 67 3HB PRO 67 -9.335 -0.259 1.360 528 HG2 PRO 67 2HG PRO 67 -11.529 1.705 2.087 529 HG3 PRO 67 3HG PRO 67 -11.350 0.769 0.564 530 HD2 PRO 67 2HD PRO 67 -12.983 -0.077 2.511 531 HD3 PRO 67 3HD PRO 67 -11.926 -1.262 1.679 532 H ASP 68 H ASP 68 -11.398 1.726 4.575 533 HA ASP 68 HA ASP 68 -9.238 3.218 5.834 534 HB2 ASP 68 2HB ASP 68 -10.997 4.645 6.747 535 HB3 ASP 68 3HB ASP 68 -11.117 4.429 5.007 536 H VAL 69 H VAL 69 -10.710 0.325 6.687 537 HA VAL 69 HA VAL 69 -10.310 0.661 9.607 538 HB VAL 69 HB VAL 69 -11.406 -1.744 8.102 539 HG11 VAL 69 1HG1 VAL 69 -11.433 -1.031 11.061 540 HG12 VAL 69 2HG1 VAL 69 -12.260 -2.418 10.316 541 HG13 VAL 69 3HG1 VAL 69 -10.499 -2.339 10.298 542 HG21 VAL 69 3HG2 VAL 69 -12.898 0.477 9.562 543 HG22 VAL 69 1HG2 VAL 69 -12.952 0.145 7.816 544 HG23 VAL 69 2HG2 VAL 69 -13.624 -1.027 8.951 545 H GLU 70 H GLU 70 -9.167 -1.271 6.810 546 HA GLU 70 HA GLU 70 -7.071 -2.487 8.547 547 HB2 GLU 70 2HB GLU 70 -8.287 -3.271 5.886 548 HB3 GLU 70 3HB GLU 70 -6.839 -4.047 6.518 549 HG2 GLU 70 2HG GLU 70 -9.512 -3.946 7.955 550 HG3 GLU 70 3HG GLU 70 -8.894 -5.312 7.020 551 H VAL 71 H VAL 71 -7.163 -0.265 5.814 552 HA VAL 71 HA VAL 71 -4.243 -0.465 5.307 553 HB VAL 71 HB VAL 71 -6.153 1.591 4.230 554 HG11 VAL 71 1HG1 VAL 71 -3.416 0.555 3.384 555 HG12 VAL 71 2HG1 VAL 71 -4.377 1.844 2.610 556 HG13 VAL 71 3HG1 VAL 71 -3.712 2.077 4.245 557 HG21 VAL 71 3HG2 VAL 71 -6.854 -0.710 3.521 558 HG22 VAL 71 1HG2 VAL 71 -6.101 0.168 2.182 559 HG23 VAL 71 2HG2 VAL 71 -5.183 -1.071 3.074 560 H ASP 72 H ASP 72 -3.220 -0.082 7.117 561 HA ASP 72 HA ASP 72 -3.410 2.231 8.813 562 HB2 ASP 72 2HB ASP 72 -2.313 0.111 9.359 563 HB3 ASP 72 3HB ASP 72 -1.135 0.354 8.066 564 H GLY 73 H GLY 73 -2.270 4.187 8.704 565 HA2 GLY 73 2HA GLY 73 -1.076 5.957 7.790 566 HA3 GLY 73 3HA GLY 73 -0.468 4.885 6.532 567 H PHE 74 H PHE 74 -3.726 4.488 6.250 568 HA PHE 74 HA PHE 74 -4.178 6.053 3.940 569 HB2 PHE 74 2HB PHE 74 -5.476 4.091 4.630 570 HB3 PHE 74 3HB PHE 74 -6.091 4.951 6.035 571 HD1 PHE 74 HD2 PHE 74 -6.164 4.804 2.305 572 HD2 PHE 74 HD1 PHE 74 -8.037 6.344 5.874 573 HE1 PHE 74 HE2 PHE 74 -8.147 5.504 0.975 574 HE2 PHE 74 HE1 PHE 74 -10.017 7.031 4.531 575 HZ PHE 74 HZ PHE 74 -10.058 6.631 2.088 576 H SER 75 H SER 75 -4.649 6.916 7.348 577 HA SER 75 HA SER 75 -5.943 9.439 6.944 578 HB2 SER 75 2HB SER 75 -4.206 8.524 9.264 579 HB3 SER 75 3HB SER 75 -5.387 9.851 9.281 580 HG SER 75 HG SER 75 -6.260 7.911 10.148 581 H GLU 76 H GLU 76 -2.613 8.571 6.418 582 HA GLU 76 HA GLU 76 -1.596 11.322 6.824 583 HB2 GLU 76 2HB GLU 76 -0.151 8.821 5.892 584 HB3 GLU 76 3HB GLU 76 0.587 10.364 6.290 585 HG2 GLU 76 2HG GLU 76 -0.899 8.545 8.230 586 HG3 GLU 76 3HG GLU 76 0.844 8.737 8.110 587 H LEU 77 H LEU 77 -2.994 9.517 4.291 588 HA LEU 77 HA LEU 77 -1.766 10.830 1.999 589 HB2 LEU 77 2HB LEU 77 -4.426 9.414 2.349 590 HB3 LEU 77 3HB LEU 77 -3.731 9.878 0.803 591 HG LEU 77 HG LEU 77 -2.624 7.773 2.702 592 HD11 LEU 77 1HD1 LEU 77 -3.296 6.265 0.813 593 HD12 LEU 77 2HD1 LEU 77 -4.676 7.102 1.548 594 HD13 LEU 77 3HD1 LEU 77 -4.023 7.648 -0.010 595 HD21 LEU 77 3HD2 LEU 77 -1.653 8.608 -0.064 596 HD22 LEU 77 1HD2 LEU 77 -0.777 8.867 1.463 597 HD23 LEU 77 2HD2 LEU 77 -1.061 7.224 0.882 598 H ARG 78 H ARG 78 -3.356 12.033 0.454 599 HA ARG 78 HA ARG 78 -5.251 13.825 1.924 600 HB2 ARG 78 2HB ARG 78 -3.638 14.443 -0.594 601 HB3 ARG 78 3HB ARG 78 -4.933 15.467 0.022 602 HG2 ARG 78 2HG ARG 78 -2.360 14.785 1.505 603 HG3 ARG 78 3HG ARG 78 -2.724 16.310 0.701 604 HD2 ARG 78 2HD ARG 78 -4.563 16.764 2.248 605 HD3 ARG 78 3HD ARG 78 -4.371 15.211 3.038 606 HE ARG 78 HE ARG 78 -2.691 17.581 3.397 607 HH11 ARG 78 1HH2 ARG 78 -2.866 14.102 3.988 608 HH12 ARG 78 2HH2 ARG 78 -1.476 14.137 5.025 609 HH21 ARG 78 1HH1 ARG 78 -1.025 17.544 4.867 610 HH22 ARG 78 2HH1 ARG 78 -0.553 16.046 5.615 611 H TRP 79 H TRP 79 -6.995 14.665 0.598 612 HA TRP 79 HA TRP 79 -8.669 12.532 0.561 613 HB2 TRP 79 2HB TRP 79 -10.020 14.257 0.849 614 HB3 TRP 79 3HB TRP 79 -8.892 15.373 0.112 615 HD1 TRP 79 HD1 TRP 79 -12.088 13.495 -0.606 616 HE1 TRP 79 HE1 TRP 79 -13.042 14.206 -2.882 617 HE3 TRP 79 HE3 TRP 79 -8.110 16.201 -2.328 618 HZ2 TRP 79 HZ2 TRP 79 -12.211 15.831 -5.134 619 HZ3 TRP 79 HZ3 TRP 79 -8.196 17.312 -4.539 620 HH2 TRP 79 HH2 TRP 79 -10.242 17.138 -5.956 621 H ASP 80 H ASP 80 -7.113 13.886 -2.345 622 HA ASP 80 HA ASP 80 -8.721 12.431 -4.194 623 HB2 ASP 80 2HB ASP 80 -7.461 14.503 -4.731 624 HB3 ASP 80 3HB ASP 80 -5.959 13.575 -4.659 625 H ASP 81 H ASP 81 -5.828 11.504 -2.411 626 HA ASP 81 HA ASP 81 -5.412 9.040 -4.002 627 HB2 ASP 81 2HB ASP 81 -3.954 10.241 -1.628 628 HB3 ASP 81 3HB ASP 81 -3.662 8.606 -2.222 629 H GLN 82 H GLN 82 -6.743 10.129 -0.838 630 HA GLN 82 HA GLN 82 -7.378 7.548 0.170 631 HB2 GLN 82 2HB GLN 82 -8.686 10.269 0.506 632 HB3 GLN 82 3HB GLN 82 -9.280 8.835 1.343 633 HG2 GLN 82 2HG GLN 82 -7.126 8.477 2.415 634 HG3 GLN 82 3HG GLN 82 -6.421 9.837 1.529 635 HE21 GLN 82 2HE2 GLN 82 -6.323 9.681 4.344 636 HE22 GLN 82 1HE2 GLN 82 -7.296 11.023 4.959 637 H GLN 83 H GLN 83 -9.483 9.738 -1.833 638 HA GLN 83 HA GLN 83 -11.560 7.801 -2.033 639 HB2 GLN 83 2HB GLN 83 -12.587 9.208 -3.631 640 HB3 GLN 83 3HB GLN 83 -11.836 10.229 -2.407 641 HG2 GLN 83 2HG GLN 83 -9.914 10.599 -4.008 642 HG3 GLN 83 3HG GLN 83 -10.802 9.706 -5.236 643 HE21 GLN 83 2HE2 GLN 83 -10.093 12.316 -5.927 644 HE22 GLN 83 1HE2 GLN 83 -11.531 13.311 -5.822 645 H LYS 84 H LYS 84 -8.588 8.072 -3.921 646 HA LYS 84 HA LYS 84 -9.528 6.265 -6.038 647 HB2 LYS 84 2HB LYS 84 -8.190 8.186 -6.616 648 HB3 LYS 84 3HB LYS 84 -6.951 7.746 -5.445 649 HG2 LYS 84 2HG LYS 84 -7.500 5.674 -7.527 650 HG3 LYS 84 3HG LYS 84 -6.871 7.197 -8.149 651 HD2 LYS 84 2HD LYS 84 -5.582 5.697 -5.842 652 HD3 LYS 84 3HD LYS 84 -5.104 5.496 -7.547 653 HE2 LYS 84 2HE LYS 84 -4.504 7.872 -7.713 654 HE3 LYS 84 3HE LYS 84 -5.126 8.179 -6.096 655 HZ1 LYS 84 3HZ LYS 84 -2.891 7.990 -5.758 656 HZ2 LYS 84 1HZ LYS 84 -3.389 6.497 -5.341 657 HZ3 LYS 84 2HZ LYS 84 -2.674 6.720 -6.802 658 H VAL 85 H VAL 85 -7.381 6.110 -3.143 659 HA VAL 85 HA VAL 85 -6.661 3.317 -3.524 660 HB VAL 85 HB VAL 85 -6.861 5.058 -1.039 661 HG11 VAL 85 1HG1 VAL 85 -5.856 2.172 -1.170 662 HG12 VAL 85 2HG1 VAL 85 -5.597 3.286 0.183 663 HG13 VAL 85 3HG1 VAL 85 -7.235 2.779 -0.217 664 HG21 VAL 85 3HG2 VAL 85 -4.970 5.407 -2.755 665 HG22 VAL 85 1HG2 VAL 85 -4.477 5.087 -1.088 666 HG23 VAL 85 2HG2 VAL 85 -4.394 3.796 -2.297 667 H LYS 86 H LYS 86 -9.441 4.888 -1.821 668 HA LYS 86 HA LYS 86 -10.731 2.381 -1.203 669 HB2 LYS 86 2HB LYS 86 -11.876 5.197 -1.460 670 HB3 LYS 86 3HB LYS 86 -12.779 3.775 -0.920 671 HG2 LYS 86 2HG LYS 86 -10.911 3.454 0.848 672 HG3 LYS 86 3HG LYS 86 -10.363 5.052 0.423 673 HD2 LYS 86 2HD LYS 86 -11.735 5.091 2.440 674 HD3 LYS 86 3HD LYS 86 -12.518 6.026 1.146 675 HE2 LYS 86 2HE LYS 86 -14.064 4.236 0.708 676 HE3 LYS 86 3HE LYS 86 -13.144 3.116 1.731 677 HZ1 LYS 86 3HZ LYS 86 -14.461 5.525 2.849 678 HZ2 LYS 86 1HZ LYS 86 -15.205 4.071 2.772 679 HZ3 LYS 86 2HZ LYS 86 -13.863 4.217 3.668 680 H LYS 87 H LYS 87 -11.085 4.506 -4.090 681 HA LYS 87 HA LYS 87 -13.006 2.756 -5.351 682 HB2 LYS 87 2HB LYS 87 -11.103 4.885 -6.397 683 HB3 LYS 87 3HB LYS 87 -12.068 3.932 -7.512 684 HG2 LYS 87 2HG LYS 87 -13.348 5.419 -5.188 685 HG3 LYS 87 3HG LYS 87 -13.070 6.185 -6.764 686 HD2 LYS 87 2HD LYS 87 -14.488 4.651 -7.890 687 HD3 LYS 87 3HD LYS 87 -14.503 3.527 -6.531 688 HE2 LYS 87 2HE LYS 87 -15.569 5.519 -5.192 689 HE3 LYS 87 3HE LYS 87 -15.968 6.163 -6.793 690 HZ1 LYS 87 3HZ LYS 87 -16.721 3.481 -5.729 691 HZ2 LYS 87 1HZ LYS 87 -17.749 4.746 -5.896 692 HZ3 LYS 87 2HZ LYS 87 -17.124 4.028 -7.227 693 H THR 88 H THR 88 -9.477 2.757 -5.529 694 HA THR 88 HA THR 88 -9.261 0.549 -7.305 695 HB THR 88 HB THR 88 -7.241 1.327 -5.178 696 HG1 THR 88 1HG THR 88 -7.720 3.092 -6.457 697 HG21 THR 88 1HG2 THR 88 -6.792 -0.822 -6.366 698 HG22 THR 88 2HG2 THR 88 -7.048 0.009 -7.912 699 HG23 THR 88 3HG2 THR 88 -5.666 0.446 -6.887 700 H ALA 89 H ALA 89 -9.796 0.650 -3.794 701 HA ALA 89 HA ALA 89 -9.408 -2.159 -3.305 702 HB1 ALA 89 1HB ALA 89 -10.952 -0.048 -1.749 703 HB2 ALA 89 2HB ALA 89 -10.410 -1.612 -1.152 704 HB3 ALA 89 3HB ALA 89 -9.214 -0.381 -1.589 705 H GLU 90 H GLU 90 -12.249 -0.119 -4.153 706 HA GLU 90 HA GLU 90 -14.103 -2.329 -4.190 707 HB2 GLU 90 2HB GLU 90 -14.203 0.377 -5.582 708 HB3 GLU 90 3HB GLU 90 -15.506 -0.809 -5.624 709 HG2 GLU 90 2HG GLU 90 -15.612 -0.727 -3.118 710 HG3 GLU 90 3HG GLU 90 -14.466 0.612 -3.147 711 H ALA 91 H ALA 91 -12.066 -0.834 -6.680 712 HA ALA 91 HA ALA 91 -13.104 -2.338 -8.889 713 HB1 ALA 91 1HB ALA 91 -10.592 -0.637 -8.545 714 HB2 ALA 91 2HB ALA 91 -11.285 -1.153 -10.098 715 HB3 ALA 91 3HB ALA 91 -12.188 -0.052 -9.038 716 H GLY 92 H GLY 92 -10.550 -3.058 -6.606 717 HA2 GLY 92 2HA GLY 92 -9.331 -5.004 -6.311 718 HA3 GLY 92 3HA GLY 92 -10.005 -5.682 -7.793 719 H GLY 93 H GLY 93 -8.598 -2.524 -8.190 720 HA2 GLY 93 2HA GLY 93 -6.023 -2.507 -8.221 721 HA3 GLY 93 3HA GLY 93 -6.190 -3.661 -9.542 722 H VAL 94 H VAL 94 -4.981 -1.050 -9.371 723 HA VAL 94 HA VAL 94 -5.868 -0.050 -11.960 724 HB VAL 94 HB VAL 94 -7.055 1.310 -10.070 725 HG11 VAL 94 1HG1 VAL 94 -5.870 3.188 -9.153 726 HG12 VAL 94 2HG1 VAL 94 -4.977 1.726 -8.707 727 HG13 VAL 94 3HG1 VAL 94 -4.378 2.770 -10.012 728 HG21 VAL 94 3HG2 VAL 94 -5.522 2.826 -12.214 729 HG22 VAL 94 1HG2 VAL 94 -7.037 1.922 -12.460 730 HG23 VAL 94 2HG2 VAL 94 -7.004 3.326 -11.385 731 H THR 95 H THR 95 -4.181 1.360 -12.947 732 HA THR 95 HA THR 95 -1.454 0.843 -11.844 733 HB THR 95 HB THR 95 -0.685 0.456 -14.156 734 HG1 THR 95 1HG THR 95 -2.254 0.011 -15.724 735 HG21 THR 95 1HG2 THR 95 -1.280 -1.444 -12.640 736 HG22 THR 95 2HG2 THR 95 -2.920 -1.448 -13.314 737 HG23 THR 95 3HG2 THR 95 -1.527 -1.823 -14.354 738 H GLY 96 H GLY 96 0.247 2.207 -12.539 739 HA2 GLY 96 2HA GLY 96 -0.087 4.678 -13.928 740 HA3 GLY 96 3HA GLY 96 -0.255 4.949 -12.189 741 H LYS 97 H LYS 97 1.757 6.227 -13.381 742 HA LYS 97 HA LYS 97 4.248 4.608 -13.325 743 HB2 LYS 97 2HB LYS 97 3.736 7.466 -14.242 744 HB3 LYS 97 3HB LYS 97 5.244 6.581 -14.436 745 HG2 LYS 97 2HG LYS 97 2.588 5.870 -15.757 746 HG3 LYS 97 3HG LYS 97 3.968 6.662 -16.516 747 HD2 LYS 97 2HD LYS 97 5.362 4.627 -16.068 748 HD3 LYS 97 3HD LYS 97 3.917 3.813 -15.421 749 HE2 LYS 97 2HE LYS 97 2.758 4.136 -17.586 750 HE3 LYS 97 3HE LYS 97 4.179 4.963 -18.235 751 HZ1 LYS 97 3HZ LYS 97 5.440 2.898 -17.934 752 HZ2 LYS 97 1HZ LYS 97 4.127 2.130 -17.334 753 HZ3 LYS 97 2HZ LYS 97 4.145 2.627 -18.888 754 H GLY 98 H GLY 98 2.729 6.853 -11.181 755 HA2 GLY 98 2HA GLY 98 3.466 7.900 -9.230 756 HA3 GLY 98 3HA GLY 98 4.828 6.780 -9.209 757 H GLN 99 H GLN 99 6.568 8.045 -8.884 758 HA GLN 99 HA GLN 99 7.261 10.003 -11.023 759 HB2 GLN 99 2HB GLN 99 7.899 10.256 -8.063 760 HB3 GLN 99 3HB GLN 99 8.696 11.182 -9.346 761 HG2 GLN 99 2HG GLN 99 6.384 11.998 -10.060 762 HG3 GLN 99 3HG GLN 99 5.759 11.292 -8.563 763 HE21 GLN 99 2HE2 GLN 99 7.016 12.055 -6.479 764 HE22 GLN 99 1HE2 GLN 99 7.505 13.731 -6.451 765 H ASP 100 H ASP 100 9.391 9.963 -11.745 766 HA ASP 100 HA ASP 100 10.554 7.339 -11.804 767 HB2 ASP 100 2HB ASP 100 10.542 8.854 -13.728 768 HB3 ASP 100 3HB ASP 100 11.568 10.001 -12.863 769 H GLY 101 H GLY 101 12.285 6.456 -10.828 770 HA2 GLY 101 2HA GLY 101 14.561 7.492 -9.716 771 HA3 GLY 101 3HA GLY 101 13.379 7.680 -8.418 772 H ILE 102 H ILE 102 15.160 6.226 -7.504 773 HA ILE 102 HA ILE 102 14.083 3.489 -7.442 774 HB ILE 102 HB ILE 102 16.012 3.502 -9.054 775 HG12 ILE 102 2HG1 ILE 102 17.299 1.601 -8.024 776 HG13 ILE 102 3HG1 ILE 102 16.369 1.815 -6.546 777 HG21 ILE 102 1HG2 ILE 102 17.408 5.235 -7.930 778 HG22 ILE 102 2HG2 ILE 102 17.771 4.072 -6.634 779 HG23 ILE 102 3HG2 ILE 102 18.294 3.751 -8.295 780 HD11 ILE 102 3HD1 ILE 102 15.450 0.017 -7.960 781 HD12 ILE 102 1HD1 ILE 102 14.273 1.337 -7.853 782 HD13 ILE 102 2HD1 ILE 102 15.258 1.147 -9.314 783 H GLY 103 H GLY 103 14.185 2.527 -5.421 784 HA2 GLY 103 2HA GLY 103 14.557 4.207 -3.100 785 HA3 GLY 103 3HA GLY 103 14.265 2.475 -3.089 786 H SER 104 H SER 104 16.115 4.204 -1.530 787 HA SER 104 HA SER 104 18.401 2.406 -1.546 788 HB2 SER 104 2HB SER 104 20.102 4.183 -1.597 789 HB3 SER 104 3HB SER 104 19.216 4.077 -3.125 790 HG SER 104 HG SER 104 19.466 6.247 -2.429 791 H LYS 105 H LYS 105 19.597 2.473 0.411 792 HA LYS 105 HA LYS 105 18.011 3.362 2.723 793 HB2 LYS 105 2HB LYS 105 18.964 1.073 2.520 794 HB3 LYS 105 3HB LYS 105 20.593 1.750 2.626 795 HG2 LYS 105 2HG LYS 105 20.165 2.544 4.904 796 HG3 LYS 105 3HG LYS 105 18.452 2.089 4.778 797 HD2 LYS 105 2HD LYS 105 19.120 -0.290 4.478 798 HD3 LYS 105 3HD LYS 105 20.817 0.153 4.695 799 HE2 LYS 105 2HE LYS 105 18.622 0.678 6.758 800 HE3 LYS 105 3HE LYS 105 19.596 -0.793 6.728 801 HZ1 LYS 105 3HZ LYS 105 21.580 0.565 7.057 802 HZ2 LYS 105 1HZ LYS 105 20.694 1.951 7.106 803 HZ3 LYS 105 2HZ LYS 105 20.496 0.829 8.263 804 H ALA 106 H ALA 106 18.713 4.679 4.385 805 HA ALA 106 HA ALA 106 21.222 6.150 4.239 806 HB1 ALA 106 1HB ALA 106 20.070 8.338 4.462 807 HB2 ALA 106 2HB ALA 106 19.697 7.573 2.905 808 HB3 ALA 106 3HB ALA 106 18.500 7.544 4.220 809 H GLU 107 H GLU 107 21.908 6.600 6.204 810 HA GLU 107 HA GLU 107 22.317 6.383 8.422 811 HB2 GLU 107 2HB GLU 107 19.336 6.733 8.876 812 HB3 GLU 107 3HB GLU 107 20.608 6.847 10.087 813 HG2 GLU 107 2HG GLU 107 21.626 8.748 8.828 814 HG3 GLU 107 3HG GLU 107 20.272 8.701 7.695 815 H LYS 108 H LYS 108 21.559 5.085 10.521 816 HA LYS 108 HA LYS 108 22.127 2.338 9.902 817 HB2 LYS 108 2HB LYS 108 21.343 3.692 12.514 818 HB3 LYS 108 3HB LYS 108 21.879 2.014 12.363 819 HG2 LYS 108 2HG LYS 108 24.040 2.784 11.391 820 HG3 LYS 108 3HG LYS 108 23.531 4.469 11.614 821 HD2 LYS 108 2HD LYS 108 23.346 4.092 14.061 822 HD3 LYS 108 3HD LYS 108 23.859 2.405 13.837 823 HE2 LYS 108 2HE LYS 108 26.003 3.196 12.851 824 HE3 LYS 108 3HE LYS 108 25.493 4.874 13.085 825 HZ1 LYS 108 3HZ LYS 108 25.912 2.899 15.269 826 HZ2 LYS 108 1HZ LYS 108 26.924 4.123 14.897 827 HZ3 LYS 108 2HZ LYS 108 25.439 4.449 15.487 Start of MODEL 13 1 H1 MET 1 H1 MET 1 2.552 2.088 26.516 2 H2 MET 1 H2 MET 1 1.562 3.350 26.210 3 H3 MET 1 H3 MET 1 3.182 3.547 26.104 4 HA MET 1 HA MET 1 2.221 3.413 23.904 5 HB2 MET 1 2HB MET 1 3.895 0.975 24.662 6 HB3 MET 1 3HB MET 1 3.531 1.459 23.009 7 HG2 MET 1 2HG MET 1 5.118 3.057 25.044 8 HG3 MET 1 3HG MET 1 5.746 2.223 23.634 9 HE1 MET 1 1HE MET 1 5.645 3.068 21.189 10 HE2 MET 1 2HE MET 1 3.869 2.964 21.200 11 HE3 MET 1 3HE MET 1 4.668 4.444 20.635 12 H ALA 2 H ALA 2 1.119 2.166 22.287 13 HA ALA 2 HA ALA 2 -0.512 -0.138 23.169 14 HB1 ALA 2 1HB ALA 2 -2.571 0.905 22.292 15 HB2 ALA 2 2HB ALA 2 -1.906 1.851 23.636 16 HB3 ALA 2 3HB ALA 2 -1.683 2.409 21.960 17 H GLU 3 H GLU 3 -1.449 -1.325 21.380 18 HA GLU 3 HA GLU 3 -0.408 -0.834 18.659 19 HB2 GLU 3 2HB GLU 3 1.398 -2.030 19.911 20 HB3 GLU 3 3HB GLU 3 0.274 -3.347 20.253 21 HG2 GLU 3 2HG GLU 3 0.100 -3.861 17.855 22 HG3 GLU 3 3HG GLU 3 1.078 -2.444 17.453 23 H SER 4 H SER 4 -1.516 -1.915 17.041 24 HA SER 4 HA SER 4 -3.668 -3.827 17.732 25 HB2 SER 4 2HB SER 4 -5.235 -2.722 16.214 26 HB3 SER 4 3HB SER 4 -4.780 -1.675 17.569 27 HG SER 4 HG SER 4 -4.704 -0.473 15.682 28 H SER 5 H SER 5 -4.182 -5.302 16.091 29 HA SER 5 HA SER 5 -2.187 -5.535 13.889 30 HB2 SER 5 2HB SER 5 -1.818 -7.884 14.551 31 HB3 SER 5 3HB SER 5 -1.381 -6.759 15.843 32 HG SER 5 HG SER 5 -2.635 -8.517 16.633 33 H ASP 6 H ASP 6 -5.258 -5.070 14.043 34 HA ASP 6 HA ASP 6 -6.045 -7.068 12.063 35 HB2 ASP 6 2HB ASP 6 -8.192 -5.933 12.048 36 HB3 ASP 6 3HB ASP 6 -7.687 -6.248 13.701 37 H LYS 7 H LYS 7 -3.758 -5.129 11.640 38 HA LYS 7 HA LYS 7 -4.623 -3.564 9.263 39 HB2 LYS 7 2HB LYS 7 -2.114 -3.214 10.954 40 HB3 LYS 7 3HB LYS 7 -2.751 -2.131 9.724 41 HG2 LYS 7 2HG LYS 7 -3.881 -2.725 12.484 42 HG3 LYS 7 3HG LYS 7 -3.198 -1.203 11.919 43 HD2 LYS 7 2HD LYS 7 -5.127 -0.839 10.427 44 HD3 LYS 7 3HD LYS 7 -5.784 -2.432 10.843 45 HE2 LYS 7 2HE LYS 7 -5.724 -1.702 13.281 46 HE3 LYS 7 3HE LYS 7 -5.451 -0.052 12.682 47 HZ1 LYS 7 3HZ LYS 7 -7.794 -1.809 12.250 48 HZ2 LYS 7 1HZ LYS 7 -7.796 -0.308 12.902 49 HZ3 LYS 7 2HZ LYS 7 -7.547 -0.519 11.276 50 H LEU 8 H LEU 8 -4.636 -5.898 8.583 51 HA LEU 8 HA LEU 8 -2.293 -7.158 7.676 52 HB2 LEU 8 2HB LEU 8 -3.686 -8.474 6.302 53 HB3 LEU 8 3HB LEU 8 -4.496 -8.245 7.842 54 HG LEU 8 HG LEU 8 -5.154 -6.674 5.311 55 HD11 LEU 8 1HD1 LEU 8 -7.068 -8.174 5.083 56 HD12 LEU 8 2HD1 LEU 8 -5.565 -9.096 5.029 57 HD13 LEU 8 3HD1 LEU 8 -6.551 -9.099 6.513 58 HD21 LEU 8 3HD2 LEU 8 -6.641 -6.937 7.947 59 HD22 LEU 8 1HD2 LEU 8 -6.004 -5.447 7.196 60 HD23 LEU 8 2HD2 LEU 8 -7.354 -6.290 6.457 61 H TYR 9 H TYR 9 -3.706 -4.219 6.493 62 HA TYR 9 HA TYR 9 -1.800 -4.225 4.224 63 HB2 TYR 9 2HB TYR 9 -4.470 -2.820 4.243 64 HB3 TYR 9 3HB TYR 9 -3.360 -2.982 2.889 65 HD1 TYR 9 HD2 TYR 9 -2.763 -5.882 2.856 66 HD2 TYR 9 HD1 TYR 9 -6.473 -3.840 3.632 67 HE1 TYR 9 HE2 TYR 9 -4.021 -7.909 2.154 68 HE2 TYR 9 HE1 TYR 9 -7.737 -5.867 2.926 69 HH TYR 9 HH TYR 9 -7.584 -7.939 1.948 70 H ARG 10 H ARG 10 -0.821 -2.208 3.809 71 HA ARG 10 HA ARG 10 -1.496 0.095 5.492 72 HB2 ARG 10 2HB ARG 10 0.243 -0.297 6.861 73 HB3 ARG 10 3HB ARG 10 0.940 -1.475 5.798 74 HG2 ARG 10 2HG ARG 10 2.626 0.109 6.040 75 HG3 ARG 10 3HG ARG 10 1.959 0.439 4.451 76 HD2 ARG 10 2HD ARG 10 2.314 2.543 5.420 77 HD3 ARG 10 3HD ARG 10 0.577 2.273 5.543 78 HE ARG 10 HE ARG 10 1.092 1.553 7.976 79 HH11 ARG 10 1HH2 ARG 10 2.978 4.233 6.538 80 HH12 ARG 10 2HH2 ARG 10 2.271 5.332 7.721 81 HH21 ARG 10 1HH1 ARG 10 0.780 2.896 9.568 82 HH22 ARG 10 2HH1 ARG 10 1.385 4.562 9.503 83 H VAL 11 H VAL 11 -1.045 2.102 4.516 84 HA VAL 11 HA VAL 11 0.239 2.164 1.845 85 HB VAL 11 HB VAL 11 -2.272 1.962 1.629 86 HG11 VAL 11 1HG1 VAL 11 -2.297 4.903 2.440 87 HG12 VAL 11 2HG1 VAL 11 -3.674 3.908 1.944 88 HG13 VAL 11 3HG1 VAL 11 -2.843 3.617 3.490 89 HG21 VAL 11 3HG2 VAL 11 -2.393 3.561 -0.223 90 HG22 VAL 11 1HG2 VAL 11 -1.082 4.540 0.470 91 HG23 VAL 11 2HG2 VAL 11 -0.735 2.945 -0.172 92 H GLU 12 H GLU 12 1.375 4.073 1.442 93 HA GLU 12 HA GLU 12 0.949 6.441 3.089 94 HB2 GLU 12 2HB GLU 12 3.133 6.540 4.123 95 HB3 GLU 12 3HB GLU 12 2.302 5.070 4.624 96 HG2 GLU 12 2HG GLU 12 3.633 3.763 2.976 97 HG3 GLU 12 3HG GLU 12 4.481 5.234 2.495 98 H TYR 13 H TYR 13 2.223 8.267 2.485 99 HA TYR 13 HA TYR 13 3.392 8.302 -0.211 100 HB2 TYR 13 2HB TYR 13 3.583 10.325 2.043 101 HB3 TYR 13 3HB TYR 13 4.074 10.572 0.375 102 HD1 TYR 13 HD1 TYR 13 1.305 9.028 -0.587 103 HD2 TYR 13 HD2 TYR 13 2.332 12.421 1.879 104 HE1 TYR 13 HE1 TYR 13 -0.887 10.079 -1.107 105 HE2 TYR 13 HE2 TYR 13 0.139 13.463 1.355 106 HH TYR 13 HH TYR 13 -1.777 13.311 0.138 107 H ALA 14 H ALA 14 5.445 7.816 -0.677 108 HA ALA 14 HA ALA 14 7.189 6.673 1.325 109 HB1 ALA 14 1HB ALA 14 7.595 7.306 -1.629 110 HB2 ALA 14 2HB ALA 14 8.660 6.292 -0.632 111 HB3 ALA 14 3HB ALA 14 6.989 5.783 -0.958 112 H LYS 15 H LYS 15 8.174 7.970 2.766 113 HA LYS 15 HA LYS 15 9.127 10.672 2.075 114 HB2 LYS 15 2HB LYS 15 9.373 9.104 4.676 115 HB3 LYS 15 3HB LYS 15 9.687 10.820 4.465 116 HG2 LYS 15 2HG LYS 15 7.002 9.397 4.271 117 HG3 LYS 15 3HG LYS 15 7.532 10.506 5.521 118 HD2 LYS 15 2HD LYS 15 6.943 11.232 2.617 119 HD3 LYS 15 3HD LYS 15 5.926 11.565 4.020 120 HE2 LYS 15 2HE LYS 15 7.738 12.973 5.002 121 HE3 LYS 15 3HE LYS 15 8.732 12.684 3.568 122 HZ1 LYS 15 3HZ LYS 15 7.533 14.787 3.402 123 HZ2 LYS 15 1HZ LYS 15 7.000 13.779 2.235 124 HZ3 LYS 15 2HZ LYS 15 6.089 14.048 3.566 125 H SER 16 H SER 16 10.570 7.533 2.351 126 HA SER 16 HA SER 16 13.218 8.593 1.557 127 HB2 SER 16 2HB SER 16 14.367 7.286 3.279 128 HB3 SER 16 3HB SER 16 13.275 8.465 4.020 129 HG SER 16 HG SER 16 12.991 6.481 5.037 130 H GLY 17 H GLY 17 14.583 7.027 0.573 131 HA2 GLY 17 2HA GLY 17 13.146 5.118 -1.055 132 HA3 GLY 17 3HA GLY 17 14.860 5.516 -1.144 133 H ARG 18 H ARG 18 13.539 4.391 1.906 134 HA ARG 18 HA ARG 18 15.587 2.317 2.038 135 HB2 ARG 18 2HB ARG 18 13.493 3.203 4.036 136 HB3 ARG 18 3HB ARG 18 14.775 2.017 4.323 137 HG2 ARG 18 2HG ARG 18 16.424 3.871 3.495 138 HG3 ARG 18 3HG ARG 18 15.069 4.990 3.765 139 HD2 ARG 18 2HD ARG 18 14.883 4.085 6.096 140 HD3 ARG 18 3HD ARG 18 16.297 3.058 5.749 141 HE ARG 18 HE ARG 18 17.079 5.699 5.176 142 HH11 ARG 18 1HH2 ARG 18 16.115 3.964 8.063 143 HH12 ARG 18 2HH2 ARG 18 17.038 5.008 9.111 144 HH21 ARG 18 1HH1 ARG 18 18.236 6.994 6.570 145 HH22 ARG 18 2HH1 ARG 18 18.207 6.673 8.279 146 H ALA 19 H ALA 19 12.131 2.174 1.395 147 HA ALA 19 HA ALA 19 11.890 -0.632 2.150 148 HB1 ALA 19 1HB ALA 19 9.593 -0.410 1.355 149 HB2 ALA 19 2HB ALA 19 10.014 0.928 2.435 150 HB3 ALA 19 3HB ALA 19 9.954 1.192 0.674 151 H SER 20 H SER 20 11.631 -2.404 0.830 152 HA SER 20 HA SER 20 12.455 -2.137 -2.021 153 HB2 SER 20 2HB SER 20 13.386 -4.372 -1.897 154 HB3 SER 20 3HB SER 20 14.167 -3.254 -0.768 155 HG SER 20 HG SER 20 13.775 -5.161 0.306 156 H CYS 21 HN CYS 21 11.302 -3.135 -3.610 157 HA CYS 21 HA CYS 21 8.528 -3.773 -2.922 158 HB2 CYS 21 2HB CYS 21 9.156 -2.288 -4.797 159 HB3 CYS 21 3HB CYS 21 9.944 -3.663 -5.597 160 H LYS 22 H LYS 22 7.797 -5.708 -2.548 161 HA LYS 22 HA LYS 22 9.501 -8.072 -2.858 162 HB2 LYS 22 2HB LYS 22 6.700 -7.863 -1.721 163 HB3 LYS 22 3HB LYS 22 7.830 -9.181 -1.453 164 HG2 LYS 22 2HG LYS 22 8.324 -6.322 -0.567 165 HG3 LYS 22 3HG LYS 22 7.512 -7.520 0.417 166 HD2 LYS 22 2HD LYS 22 9.499 -8.989 0.315 167 HD3 LYS 22 3HD LYS 22 10.360 -7.791 -0.681 168 HE2 LYS 22 2HE LYS 22 9.182 -7.207 2.057 169 HE3 LYS 22 3HE LYS 22 10.826 -7.825 1.858 170 HZ1 LYS 22 3HZ LYS 22 10.719 -5.355 2.011 171 HZ2 LYS 22 1HZ LYS 22 11.434 -5.847 0.644 172 HZ3 LYS 22 2HZ LYS 22 9.921 -5.288 0.568 173 H LYS 23 H LYS 23 7.422 -6.680 -4.994 174 HA LYS 23 HA LYS 23 6.510 -9.272 -6.198 175 HB2 LYS 23 2HB LYS 23 4.710 -7.795 -5.496 176 HB3 LYS 23 3HB LYS 23 5.389 -6.470 -6.442 177 HG2 LYS 23 2HG LYS 23 3.444 -7.456 -7.529 178 HG3 LYS 23 3HG LYS 23 4.883 -7.650 -8.530 179 HD2 LYS 23 2HD LYS 23 5.080 -10.016 -7.844 180 HD3 LYS 23 3HD LYS 23 3.716 -9.823 -6.724 181 HE2 LYS 23 2HE LYS 23 2.228 -9.285 -8.621 182 HE3 LYS 23 3HE LYS 23 3.592 -9.409 -9.744 183 HZ1 LYS 23 3HZ LYS 23 2.278 -11.460 -9.694 184 HZ2 LYS 23 1HZ LYS 23 3.785 -11.763 -9.148 185 HZ3 LYS 23 2HZ LYS 23 2.538 -11.654 -8.096 186 H CYS 24 HN CYS 24 7.795 -6.074 -7.255 187 HA CYS 24 HA CYS 24 8.683 -7.386 -9.764 188 HB2 CYS 24 2HB CYS 24 8.674 -5.360 -10.845 189 HB3 CYS 24 3HB CYS 24 7.168 -5.430 -9.935 190 H SER 25 H SER 25 10.027 -6.835 -6.841 191 HA SER 25 HA SER 25 12.085 -6.981 -5.996 192 HB2 SER 25 2HB SER 25 12.865 -8.161 -8.667 193 HB3 SER 25 3HB SER 25 13.742 -8.332 -7.137 194 HG SER 25 HG SER 25 12.367 -10.126 -7.562 195 H GLU 26 H GLU 26 11.481 -4.437 -7.328 196 HA GLU 26 HA GLU 26 14.259 -3.331 -7.562 197 HB2 GLU 26 2HB GLU 26 11.579 -2.030 -8.172 198 HB3 GLU 26 3HB GLU 26 13.153 -1.267 -8.346 199 HG2 GLU 26 2HG GLU 26 12.076 -3.608 -9.961 200 HG3 GLU 26 3HG GLU 26 12.318 -1.958 -10.512 201 H SER 27 H SER 27 14.145 -0.919 -6.476 202 HA SER 27 HA SER 27 12.966 -1.238 -3.748 203 HB2 SER 27 2HB SER 27 15.453 0.320 -4.430 204 HB3 SER 27 3HB SER 27 14.650 0.194 -2.841 205 HG SER 27 HG SER 27 16.427 -1.287 -3.109 206 H ILE 28 H ILE 28 11.954 0.516 -2.780 207 HA ILE 28 HA ILE 28 10.391 1.830 -4.855 208 HB ILE 28 HB ILE 28 9.950 1.637 -1.861 209 HG12 ILE 28 2HG1 ILE 28 8.583 0.031 -4.067 210 HG13 ILE 28 3HG1 ILE 28 9.973 -0.573 -3.171 211 HG21 ILE 28 1HG2 ILE 28 8.705 3.546 -2.843 212 HG22 ILE 28 2HG2 ILE 28 8.072 2.493 -4.125 213 HG23 ILE 28 3HG2 ILE 28 7.590 2.243 -2.445 214 HD11 ILE 28 3HD1 ILE 28 8.035 -1.496 -2.162 215 HD12 ILE 28 1HD1 ILE 28 8.731 -0.326 -1.035 216 HD13 ILE 28 2HD1 ILE 28 7.273 0.089 -1.967 217 HA PRO 29 HA PRO 29 12.627 5.688 -4.091 218 HB2 PRO 29 2HB PRO 29 11.414 7.319 -5.915 219 HB3 PRO 29 3HB PRO 29 12.535 6.013 -6.388 220 HG2 PRO 29 2HG PRO 29 9.505 5.927 -6.318 221 HG3 PRO 29 3HG PRO 29 10.604 5.415 -7.640 222 HD2 PRO 29 2HD PRO 29 9.561 3.647 -5.848 223 HD3 PRO 29 3HD PRO 29 11.219 3.451 -6.504 224 H LYS 30 H LYS 30 12.293 7.755 -3.188 225 HA LYS 30 HA LYS 30 9.842 8.176 -1.636 226 HB2 LYS 30 2HB LYS 30 10.907 10.086 -0.685 227 HB3 LYS 30 3HB LYS 30 11.953 8.669 -0.607 228 HG2 LYS 30 2HG LYS 30 13.273 9.489 -2.506 229 HG3 LYS 30 3HG LYS 30 12.186 10.884 -2.685 230 HD2 LYS 30 2HD LYS 30 12.807 11.695 -0.441 231 HD3 LYS 30 3HD LYS 30 13.861 10.274 -0.200 232 HE2 LYS 30 2HE LYS 30 15.169 10.878 -2.173 233 HE3 LYS 30 3HE LYS 30 14.103 12.254 -2.491 234 HZ1 LYS 30 3HZ LYS 30 16.134 12.961 -1.335 235 HZ2 LYS 30 1HZ LYS 30 14.845 13.232 -0.374 236 HZ3 LYS 30 2HZ LYS 30 15.833 11.963 -0.081 237 H ASP 31 H ASP 31 8.800 10.323 -1.644 238 HA ASP 31 HA ASP 31 7.262 11.626 -2.628 239 HB2 ASP 31 2HB ASP 31 9.285 12.915 -3.247 240 HB3 ASP 31 3HB ASP 31 9.300 12.116 -4.818 241 H SER 32 H SER 32 6.808 9.054 -2.895 242 HA SER 32 HA SER 32 5.136 8.816 -5.318 243 HB2 SER 32 2HB SER 32 7.377 7.698 -5.757 244 HB3 SER 32 3HB SER 32 6.991 6.567 -4.446 245 HG SER 32 HG SER 32 6.371 5.841 -6.586 246 H LEU 33 H LEU 33 3.820 6.605 -4.994 247 HA LEU 33 HA LEU 33 2.770 6.580 -2.193 248 HB2 LEU 33 2HB LEU 33 1.238 7.503 -3.939 249 HB3 LEU 33 3HB LEU 33 1.359 5.979 -4.815 250 HG LEU 33 HG LEU 33 0.370 4.818 -2.803 251 HD11 LEU 33 1HD1 LEU 33 -0.908 6.213 -1.190 252 HD12 LEU 33 2HD1 LEU 33 0.824 6.516 -1.049 253 HD13 LEU 33 3HD1 LEU 33 -0.216 7.680 -1.899 254 HD21 LEU 33 3HD2 LEU 33 -1.317 7.058 -3.989 255 HD22 LEU 33 1HD2 LEU 33 -0.983 5.500 -4.780 256 HD23 LEU 33 2HD2 LEU 33 -1.919 5.543 -3.272 257 H ARG 34 H ARG 34 2.813 4.674 -1.095 258 HA ARG 34 HA ARG 34 3.380 2.137 -2.538 259 HB2 ARG 34 2HB ARG 34 5.241 1.570 -1.154 260 HB3 ARG 34 3HB ARG 34 5.547 3.096 -1.978 261 HG2 ARG 34 2HG ARG 34 5.105 4.338 0.118 262 HG3 ARG 34 3HG ARG 34 4.751 2.809 0.958 263 HD2 ARG 34 2HD ARG 34 7.027 1.991 0.493 264 HD3 ARG 34 3HD ARG 34 7.373 3.455 -0.442 265 HE ARG 34 HE ARG 34 6.631 3.832 2.415 266 HH11 ARG 34 1HH2 ARG 34 9.314 3.721 0.139 267 HH12 ARG 34 2HH2 ARG 34 10.340 4.632 1.212 268 HH21 ARG 34 1HH1 ARG 34 7.934 4.785 3.701 269 HH22 ARG 34 2HH1 ARG 34 9.642 5.041 3.315 270 H MET 35 H MET 35 3.103 0.248 -1.308 271 HA MET 35 HA MET 35 1.225 0.447 0.975 272 HB2 MET 35 2HB MET 35 0.826 -1.098 -1.614 273 HB3 MET 35 3HB MET 35 -0.039 -1.505 -0.118 274 HG2 MET 35 2HG MET 35 -0.919 0.795 -0.012 275 HG3 MET 35 3HG MET 35 -0.129 1.164 -1.552 276 HE1 MET 35 3HE MET 35 -2.446 -1.756 -0.090 277 HE2 MET 35 1HE MET 35 -3.230 -0.202 0.283 278 HE3 MET 35 2HE MET 35 -3.981 -1.312 -0.881 279 H ALA 36 H ALA 36 0.966 -1.558 2.165 280 HA ALA 36 HA ALA 36 3.220 -3.435 1.923 281 HB1 ALA 36 1HB ALA 36 3.899 -1.539 3.429 282 HB2 ALA 36 2HB ALA 36 2.641 -2.059 4.553 283 HB3 ALA 36 3HB ALA 36 3.983 -3.153 4.172 284 H ILE 37 H ILE 37 2.995 -5.361 3.369 285 HA ILE 37 HA ILE 37 0.178 -5.917 4.184 286 HB ILE 37 HB ILE 37 1.895 -7.283 2.194 287 HG12 ILE 37 2HG1 ILE 37 -1.102 -7.391 2.732 288 HG13 ILE 37 3HG1 ILE 37 -0.311 -6.085 1.847 289 HG21 ILE 37 1HG2 ILE 37 0.297 -9.010 4.105 290 HG22 ILE 37 2HG2 ILE 37 1.076 -9.526 2.578 291 HG23 ILE 37 3HG2 ILE 37 2.070 -8.987 3.920 292 HD11 ILE 37 3HD1 ILE 37 0.477 -7.689 0.141 293 HD12 ILE 37 1HD1 ILE 37 -0.384 -8.997 0.981 294 HD13 ILE 37 2HD1 ILE 37 -1.290 -7.645 0.277 295 H MET 38 H MET 38 -0.129 -7.035 6.069 296 HA MET 38 HA MET 38 2.276 -7.437 7.728 297 HB2 MET 38 2HB MET 38 -0.040 -6.391 8.435 298 HB3 MET 38 3HB MET 38 -0.530 -8.075 8.620 299 HG2 MET 38 2HG MET 38 0.190 -7.678 10.726 300 HG3 MET 38 3HG MET 38 1.725 -8.205 10.038 301 HE1 MET 38 3HE MET 38 2.585 -5.444 8.345 302 HE2 MET 38 1HE MET 38 3.649 -4.791 9.612 303 HE3 MET 38 2HE MET 38 3.609 -6.543 9.301 304 H VAL 39 H VAL 39 3.407 -9.223 7.729 305 HA VAL 39 HA VAL 39 1.984 -11.845 7.794 306 HB VAL 39 HB VAL 39 2.733 -11.409 5.464 307 HG11 VAL 39 1HG1 VAL 39 4.802 -10.124 5.954 308 HG12 VAL 39 2HG1 VAL 39 5.570 -11.611 6.543 309 HG13 VAL 39 3HG1 VAL 39 5.050 -11.486 4.852 310 HG21 VAL 39 3HG2 VAL 39 4.229 -13.744 6.670 311 HG22 VAL 39 1HG2 VAL 39 2.480 -13.717 6.322 312 HG23 VAL 39 2HG2 VAL 39 3.655 -13.546 5.011 313 H GLN 40 H GLN 40 3.136 -13.547 8.816 314 HA GLN 40 HA GLN 40 4.973 -12.757 10.945 315 HB2 GLN 40 2HB GLN 40 5.056 -15.249 11.342 316 HB3 GLN 40 3HB GLN 40 3.489 -14.459 11.534 317 HG2 GLN 40 2HG GLN 40 2.722 -15.276 9.366 318 HG3 GLN 40 3HG GLN 40 4.306 -15.961 9.010 319 HE21 GLN 40 2HE2 GLN 40 2.579 -17.842 8.676 320 HE22 GLN 40 1HE2 GLN 40 2.379 -18.871 10.086 321 H SER 41 H SER 41 7.161 -12.840 10.990 322 HA SER 41 HA SER 41 8.466 -12.939 8.440 323 HB2 SER 41 2HB SER 41 9.002 -11.338 10.341 324 HB3 SER 41 3HB SER 41 9.811 -12.704 11.128 325 HG SER 41 HG SER 41 10.503 -11.336 8.783 326 HA PRO 42 HA PRO 42 10.558 -16.851 8.921 327 HB2 PRO 42 2HB PRO 42 12.126 -16.834 6.682 328 HB3 PRO 42 3HB PRO 42 10.354 -17.076 6.613 329 HG2 PRO 42 2HG PRO 42 11.904 -14.510 6.182 330 HG3 PRO 42 3HG PRO 42 10.594 -15.190 5.169 331 HD2 PRO 42 2HD PRO 42 10.175 -13.260 7.109 332 HD3 PRO 42 3HD PRO 42 8.935 -14.468 6.676 333 H MET 43 H MET 43 11.867 -13.682 9.175 334 HA MET 43 HA MET 43 14.485 -14.750 10.147 335 HB2 MET 43 2HB MET 43 15.629 -12.923 9.346 336 HB3 MET 43 3HB MET 43 14.576 -13.489 8.061 337 HG2 MET 43 2HG MET 43 12.983 -11.560 9.098 338 HG3 MET 43 3HG MET 43 14.526 -10.936 9.645 339 HE1 MET 43 3HE MET 43 12.167 -11.837 6.763 340 HE2 MET 43 1HE MET 43 13.116 -11.541 5.283 341 HE3 MET 43 2HE MET 43 13.520 -12.905 6.352 342 H PHE 44 H PHE 44 11.760 -12.776 11.011 343 HA PHE 44 HA PHE 44 13.102 -11.810 13.499 344 HB2 PHE 44 2HB PHE 44 12.509 -10.038 11.944 345 HB3 PHE 44 3HB PHE 44 10.853 -10.612 11.855 346 HD1 PHE 44 HD1 PHE 44 13.386 -9.335 14.329 347 HD2 PHE 44 HD2 PHE 44 9.215 -9.712 13.291 348 HE1 PHE 44 HE1 PHE 44 12.768 -7.919 16.277 349 HE2 PHE 44 HE2 PHE 44 8.604 -8.288 15.231 350 HZ PHE 44 HZ PHE 44 10.377 -7.397 16.730 351 H ASP 45 H ASP 45 11.748 -11.543 15.372 352 HA ASP 45 HA ASP 45 10.175 -13.996 15.857 353 HB2 ASP 45 2HB ASP 45 12.144 -13.437 17.252 354 HB3 ASP 45 3HB ASP 45 11.329 -11.974 17.804 355 H GLY 46 H GLY 46 8.641 -12.491 14.292 356 HA2 GLY 46 2HA GLY 46 6.216 -12.005 15.582 357 HA3 GLY 46 3HA GLY 46 7.080 -10.467 15.606 358 H LYS 47 H LYS 47 5.420 -9.609 14.344 359 HA LYS 47 HA LYS 47 5.007 -10.565 11.570 360 HB2 LYS 47 2HB LYS 47 3.474 -8.620 13.337 361 HB3 LYS 47 3HB LYS 47 3.020 -9.029 11.691 362 HG2 LYS 47 2HG LYS 47 3.403 -11.290 13.696 363 HG3 LYS 47 3HG LYS 47 1.975 -10.283 13.848 364 HD2 LYS 47 2HD LYS 47 2.750 -11.635 11.254 365 HD3 LYS 47 3HD LYS 47 1.798 -12.466 12.477 366 HE2 LYS 47 2HE LYS 47 0.980 -9.787 11.290 367 HE3 LYS 47 3HE LYS 47 0.527 -11.330 10.551 368 HZ1 LYS 47 3HZ LYS 47 -0.205 -10.509 13.316 369 HZ2 LYS 47 1HZ LYS 47 -1.219 -10.539 12.037 370 HZ3 LYS 47 2HZ LYS 47 -0.605 -11.930 12.619 371 H VAL 48 H VAL 48 5.464 -9.385 9.816 372 HA VAL 48 HA VAL 48 6.941 -6.824 10.150 373 HB VAL 48 HB VAL 48 8.520 -7.635 8.383 374 HG11 VAL 48 1HG1 VAL 48 9.914 -8.929 9.940 375 HG12 VAL 48 2HG1 VAL 48 9.136 -7.578 10.775 376 HG13 VAL 48 3HG1 VAL 48 8.512 -9.223 10.987 377 HG21 VAL 48 3HG2 VAL 48 7.389 -10.395 8.983 378 HG22 VAL 48 1HG2 VAL 48 7.220 -9.517 7.454 379 HG23 VAL 48 2HG2 VAL 48 8.820 -10.018 8.000 380 HA PRO 49 HA PRO 49 4.456 -5.656 6.659 381 HB2 PRO 49 2HB PRO 49 5.509 -3.228 6.006 382 HB3 PRO 49 3HB PRO 49 4.625 -3.520 7.536 383 HG2 PRO 49 2HG PRO 49 7.625 -3.491 7.086 384 HG3 PRO 49 3HG PRO 49 6.691 -2.690 8.385 385 HD2 PRO 49 2HD PRO 49 7.940 -5.129 8.694 386 HD3 PRO 49 3HD PRO 49 6.436 -4.690 9.560 387 H HIS 50 H HIS 50 4.509 -6.492 4.624 388 HA HIS 50 HA HIS 50 7.056 -6.584 3.065 389 HB2 HIS 50 2HB HIS 50 4.380 -7.991 2.863 390 HB3 HIS 50 3HB HIS 50 5.454 -7.888 1.471 391 HD2 HIS 50 HD2 HIS 50 6.943 -8.312 4.960 392 HE1 HIS 50 HE1 HIS 50 7.445 -12.051 2.972 393 HE2 HIS 50 HE2 HIS 50 8.093 -10.701 5.032 394 H TRP 51 H TRP 51 7.475 -4.618 2.243 395 HA TRP 51 HA TRP 51 5.402 -2.831 1.358 396 HB2 TRP 51 2HB TRP 51 8.425 -2.732 1.072 397 HB3 TRP 51 3HB TRP 51 7.320 -1.425 0.671 398 HD1 TRP 51 HD1 TRP 51 9.029 -3.045 3.620 399 HE1 TRP 51 HE1 TRP 51 8.506 -1.749 5.768 400 HE3 TRP 51 HE3 TRP 51 5.450 0.128 1.789 401 HZ2 TRP 51 HZ2 TRP 51 6.623 0.264 6.636 402 HZ3 TRP 51 HZ3 TRP 51 4.250 1.668 3.322 403 HH2 TRP 51 HH2 TRP 51 4.821 1.736 5.743 404 H TYR 52 H TYR 52 4.872 -2.165 -0.690 405 HA TYR 52 HA TYR 52 6.427 -3.037 -2.996 406 HB2 TYR 52 2HB TYR 52 3.543 -3.472 -3.465 407 HB3 TYR 52 3HB TYR 52 4.986 -4.287 -4.072 408 HD1 TYR 52 HD1 TYR 52 2.958 -4.155 -0.871 409 HD2 TYR 52 HD2 TYR 52 5.245 -6.477 -3.683 410 HE1 TYR 52 HE1 TYR 52 2.284 -6.258 0.303 411 HE2 TYR 52 HE2 TYR 52 4.545 -8.570 -2.527 412 HH TYR 52 HH TYR 52 2.462 -8.553 0.363 413 H HIS 53 H HIS 53 5.800 -1.833 -4.948 414 HA HIS 53 HA HIS 53 5.047 0.936 -4.619 415 HB2 HIS 53 2HB HIS 53 4.737 -0.827 -7.087 416 HB3 HIS 53 3HB HIS 53 4.660 0.912 -7.059 417 HD2 HIS 53 HD2 HIS 53 6.947 2.284 -6.454 418 HE1 HIS 53 HE1 HIS 53 9.571 -0.772 -7.841 419 HE2 HIS 53 HE2 HIS 53 9.384 1.690 -7.260 420 H PHE 54 H PHE 54 3.007 2.001 -5.268 421 HA PHE 54 HA PHE 54 0.657 1.019 -4.180 422 HB2 PHE 54 2HB PHE 54 0.760 3.303 -4.763 423 HB3 PHE 54 3HB PHE 54 1.162 2.963 -6.441 424 HD1 PHE 54 HD2 PHE 54 -1.639 2.869 -3.944 425 HD2 PHE 54 HD1 PHE 54 -0.520 2.597 -8.104 426 HE1 PHE 54 HE2 PHE 54 -4.035 3.025 -4.615 427 HE2 PHE 54 HE1 PHE 54 -2.917 2.687 -8.750 428 HZ PHE 54 HZ PHE 54 -4.670 2.884 -7.001 429 H SER 55 H SER 55 1.631 0.582 -7.667 430 HA SER 55 HA SER 55 -0.812 -0.892 -8.268 431 HB2 SER 55 2HB SER 55 0.238 -1.278 -10.446 432 HB3 SER 55 3HB SER 55 0.150 0.435 -10.003 433 HG SER 55 HG SER 55 2.220 0.540 -10.072 434 H CYS 56 HN CYS 56 2.480 -1.758 -7.291 435 HA CYS 56 HA CYS 56 2.378 -4.460 -8.080 436 HB2 CYS 56 2HB CYS 56 3.974 -2.980 -5.986 437 HB3 CYS 56 3HB CYS 56 4.232 -4.681 -6.366 438 H PHE 57 H PHE 57 1.265 -2.894 -5.064 439 HA PHE 57 HA PHE 57 0.427 -5.230 -3.633 440 HB2 PHE 57 2HB PHE 57 0.444 -2.999 -2.690 441 HB3 PHE 57 3HB PHE 57 -0.824 -2.472 -3.794 442 HD1 PHE 57 HD2 PHE 57 -3.128 -3.588 -3.658 443 HD2 PHE 57 HD1 PHE 57 -0.112 -4.075 -0.614 444 HE1 PHE 57 HE2 PHE 57 -4.849 -4.426 -2.094 445 HE2 PHE 57 HE1 PHE 57 -1.868 -4.799 0.985 446 HZ PHE 57 HZ PHE 57 -4.229 -5.020 0.237 447 H TRP 58 H TRP 58 -1.280 -3.351 -6.196 448 HA TRP 58 HA TRP 58 -3.560 -5.137 -6.210 449 HB2 TRP 58 2HB TRP 58 -2.737 -3.047 -8.234 450 HB3 TRP 58 3HB TRP 58 -4.309 -3.801 -8.085 451 HD1 TRP 58 HD1 TRP 58 -2.573 -0.778 -7.194 452 HE1 TRP 58 HE1 TRP 58 -3.535 0.499 -5.222 453 HE3 TRP 58 HE3 TRP 58 -5.972 -4.273 -5.551 454 HZ2 TRP 58 HZ2 TRP 58 -5.559 0.092 -3.186 455 HZ3 TRP 58 HZ3 TRP 58 -7.428 -3.756 -3.633 456 HH2 TRP 58 HH2 TRP 58 -7.236 -1.575 -2.461 457 H LYS 59 H LYS 59 -0.448 -5.371 -7.729 458 HA LYS 59 HA LYS 59 -1.265 -7.416 -9.701 459 HB2 LYS 59 2HB LYS 59 1.456 -6.552 -8.677 460 HB3 LYS 59 3HB LYS 59 1.209 -7.766 -9.932 461 HG2 LYS 59 2HG LYS 59 0.331 -6.199 -11.486 462 HG3 LYS 59 3HG LYS 59 0.056 -4.994 -10.243 463 HD2 LYS 59 2HD LYS 59 2.798 -5.354 -10.009 464 HD3 LYS 59 3HD LYS 59 2.566 -5.628 -11.738 465 HE2 LYS 59 2HE LYS 59 1.665 -3.457 -12.080 466 HE3 LYS 59 3HE LYS 59 1.180 -3.316 -10.390 467 HZ1 LYS 59 3HZ LYS 59 3.613 -3.201 -9.824 468 HZ2 LYS 59 1HZ LYS 59 3.935 -3.018 -11.428 469 HZ3 LYS 59 2HZ LYS 59 3.019 -1.918 -10.626 470 H VAL 60 H VAL 60 -0.156 -7.317 -6.349 471 HA VAL 60 HA VAL 60 -0.094 -10.245 -6.034 472 HB VAL 60 HB VAL 60 -0.132 -7.980 -4.002 473 HG11 VAL 60 1HG1 VAL 60 0.273 -10.966 -3.564 474 HG12 VAL 60 2HG1 VAL 60 0.600 -9.695 -2.365 475 HG13 VAL 60 3HG1 VAL 60 -1.049 -9.963 -2.923 476 HG21 VAL 60 3HG2 VAL 60 1.937 -8.130 -5.381 477 HG22 VAL 60 1HG2 VAL 60 2.221 -8.564 -3.697 478 HG23 VAL 60 2HG2 VAL 60 2.099 -9.842 -4.923 479 H GLY 61 H GLY 61 -2.477 -7.646 -5.664 480 HA2 GLY 61 2HA GLY 61 -4.692 -7.789 -6.256 481 HA3 GLY 61 3HA GLY 61 -4.491 -9.516 -6.545 482 H HIS 62 H HIS 62 -3.798 -8.164 -3.355 483 HA HIS 62 HA HIS 62 -5.844 -9.823 -2.090 484 HB2 HIS 62 2HB HIS 62 -3.841 -7.791 -1.069 485 HB3 HIS 62 3HB HIS 62 -5.099 -8.461 -0.043 486 HD2 HIS 62 HD2 HIS 62 -3.447 -10.887 -2.540 487 HE1 HIS 62 HE1 HIS 62 -1.936 -11.846 1.328 488 HE2 HIS 62 HE2 HIS 62 -2.037 -12.579 -1.109 489 H SER 63 H SER 63 -7.847 -9.328 -1.461 490 HA SER 63 HA SER 63 -9.033 -6.835 -2.443 491 HB2 SER 63 2HB SER 63 -10.312 -9.246 -1.097 492 HB3 SER 63 3HB SER 63 -11.171 -7.905 -1.877 493 HG SER 63 HG SER 63 -10.925 -9.720 -3.276 494 H ILE 64 H ILE 64 -10.080 -5.298 -1.383 495 HA ILE 64 HA ILE 64 -9.817 -5.145 1.586 496 HB ILE 64 HB ILE 64 -9.440 -2.800 -0.273 497 HG12 ILE 64 2HG1 ILE 64 -7.243 -4.664 0.632 498 HG13 ILE 64 3HG1 ILE 64 -7.665 -4.160 -0.999 499 HG21 ILE 64 1HG2 ILE 64 -8.592 -3.287 2.615 500 HG22 ILE 64 2HG2 ILE 64 -8.405 -1.774 1.715 501 HG23 ILE 64 3HG2 ILE 64 -10.025 -2.365 2.118 502 HD11 ILE 64 3HD1 ILE 64 -6.273 -2.542 1.134 503 HD12 ILE 64 1HD1 ILE 64 -5.738 -2.925 -0.503 504 HD13 ILE 64 2HD1 ILE 64 -7.051 -1.765 -0.266 505 H ARG 65 H ARG 65 -11.624 -4.464 2.595 506 HA ARG 65 HA ARG 65 -14.018 -3.724 0.927 507 HB2 ARG 65 2HB ARG 65 -15.325 -5.246 2.530 508 HB3 ARG 65 3HB ARG 65 -14.440 -5.974 1.208 509 HG2 ARG 65 2HG ARG 65 -13.102 -5.773 3.911 510 HG3 ARG 65 3HG ARG 65 -14.339 -6.986 3.669 511 HD2 ARG 65 2HD ARG 65 -13.084 -8.252 2.257 512 HD3 ARG 65 3HD ARG 65 -12.277 -6.872 1.511 513 HE ARG 65 HE ARG 65 -11.103 -6.743 3.910 514 HH11 ARG 65 1HH2 ARG 65 -11.546 -9.640 1.949 515 HH12 ARG 65 2HH2 ARG 65 -10.103 -10.362 2.608 516 HH21 ARG 65 1HH1 ARG 65 -9.449 -7.651 4.660 517 HH22 ARG 65 2HH1 ARG 65 -8.899 -9.256 4.151 518 H HIS 66 H HIS 66 -12.280 -3.172 3.857 519 HA HIS 66 HA HIS 66 -13.898 -0.733 4.165 520 HB2 HIS 66 2HB HIS 66 -13.891 -0.824 6.602 521 HB3 HIS 66 3HB HIS 66 -14.983 -1.936 5.806 522 HD2 HIS 66 HD2 HIS 66 -13.035 -4.484 5.491 523 HE1 HIS 66 HE1 HIS 66 -13.044 -4.434 9.719 524 HE2 HIS 66 HE2 HIS 66 -12.587 -5.853 7.672 525 HA PRO 67 HA PRO 67 -9.399 -0.530 3.582 526 HB2 PRO 67 2HB PRO 67 -9.310 1.777 1.978 527 HB3 PRO 67 3HB PRO 67 -9.565 0.121 1.364 528 HG2 PRO 67 2HG PRO 67 -11.669 2.165 2.103 529 HG3 PRO 67 3HG PRO 67 -11.554 1.187 0.596 530 HD2 PRO 67 2HD PRO 67 -13.182 0.438 2.566 531 HD3 PRO 67 3HD PRO 67 -12.153 -0.804 1.785 532 H ASP 68 H ASP 68 -11.407 2.270 4.602 533 HA ASP 68 HA ASP 68 -9.219 3.741 5.721 534 HB2 ASP 68 2HB ASP 68 -11.391 4.746 5.162 535 HB3 ASP 68 3HB ASP 68 -12.213 3.686 6.304 536 H VAL 69 H VAL 69 -10.694 0.842 6.754 537 HA VAL 69 HA VAL 69 -9.756 1.125 9.545 538 HB VAL 69 HB VAL 69 -11.414 -1.123 8.375 539 HG11 VAL 69 1HG1 VAL 69 -10.984 -0.180 11.240 540 HG12 VAL 69 2HG1 VAL 69 -12.069 -1.492 10.730 541 HG13 VAL 69 3HG1 VAL 69 -10.329 -1.666 10.509 542 HG21 VAL 69 3HG2 VAL 69 -12.397 1.418 9.739 543 HG22 VAL 69 1HG2 VAL 69 -12.733 0.902 8.067 544 HG23 VAL 69 2HG2 VAL 69 -13.393 -0.022 9.414 545 H GLU 70 H GLU 70 -9.436 -0.882 6.642 546 HA GLU 70 HA GLU 70 -7.586 -2.786 7.950 547 HB2 GLU 70 2HB GLU 70 -8.574 -2.552 5.056 548 HB3 GLU 70 3HB GLU 70 -7.627 -3.894 5.697 549 HG2 GLU 70 2HG GLU 70 -9.463 -4.498 7.221 550 HG3 GLU 70 3HG GLU 70 -10.433 -3.164 6.598 551 H VAL 71 H VAL 71 -7.285 -0.169 5.622 552 HA VAL 71 HA VAL 71 -4.370 -0.649 5.150 553 HB VAL 71 HB VAL 71 -6.088 1.546 4.017 554 HG11 VAL 71 1HG1 VAL 71 -3.473 0.203 3.213 555 HG12 VAL 71 2HG1 VAL 71 -4.261 1.615 2.462 556 HG13 VAL 71 3HG1 VAL 71 -3.593 1.726 4.119 557 HG21 VAL 71 3HG2 VAL 71 -6.118 0.119 1.960 558 HG22 VAL 71 1HG2 VAL 71 -5.431 -1.226 2.906 559 HG23 VAL 71 2HG2 VAL 71 -7.052 -0.612 3.271 560 H ASP 72 H ASP 72 -3.453 -0.335 7.060 561 HA ASP 72 HA ASP 72 -3.778 2.030 8.704 562 HB2 ASP 72 2HB ASP 72 -2.939 0.041 9.630 563 HB3 ASP 72 3HB ASP 72 -1.681 -0.127 8.398 564 H GLY 73 H GLY 73 -2.596 3.936 8.698 565 HA2 GLY 73 2HA GLY 73 -1.109 5.592 7.955 566 HA3 GLY 73 3HA GLY 73 -0.482 4.486 6.732 567 H PHE 74 H PHE 74 -3.639 4.218 6.131 568 HA PHE 74 HA PHE 74 -3.964 5.985 3.919 569 HB2 PHE 74 2HB PHE 74 -5.232 3.907 4.434 570 HB3 PHE 74 3HB PHE 74 -5.951 4.678 5.842 571 HD1 PHE 74 HD2 PHE 74 -5.961 4.432 2.166 572 HD2 PHE 74 HD1 PHE 74 -7.785 6.271 5.619 573 HE1 PHE 74 HE2 PHE 74 -7.897 5.155 0.778 574 HE2 PHE 74 HE1 PHE 74 -9.713 6.984 4.217 575 HZ PHE 74 HZ PHE 74 -9.719 6.462 1.792 576 H SER 75 H SER 75 -4.332 6.604 7.372 577 HA SER 75 HA SER 75 -5.726 9.125 7.245 578 HB2 SER 75 2HB SER 75 -4.596 9.426 9.502 579 HB3 SER 75 3HB SER 75 -5.622 7.988 9.329 580 HG SER 75 HG SER 75 -3.579 7.524 10.313 581 H GLU 76 H GLU 76 -2.350 8.223 6.659 582 HA GLU 76 HA GLU 76 -1.338 10.959 6.873 583 HB2 GLU 76 2HB GLU 76 0.055 8.485 5.770 584 HB3 GLU 76 3HB GLU 76 0.794 10.013 6.228 585 HG2 GLU 76 2HG GLU 76 0.073 9.644 8.594 586 HG3 GLU 76 3HG GLU 76 -0.593 8.076 8.136 587 H LEU 77 H LEU 77 -2.813 9.067 4.399 588 HA LEU 77 HA LEU 77 -1.923 10.644 2.089 589 HB2 LEU 77 2HB LEU 77 -4.161 8.653 2.584 590 HB3 LEU 77 3HB LEU 77 -4.071 9.575 1.105 591 HG LEU 77 HG LEU 77 -2.092 8.541 0.392 592 HD11 LEU 77 1HD1 LEU 77 -1.919 7.103 3.047 593 HD12 LEU 77 2HD1 LEU 77 -0.956 6.726 1.597 594 HD13 LEU 77 3HD1 LEU 77 -0.769 8.290 2.391 595 HD21 LEU 77 3HD2 LEU 77 -4.001 6.488 1.547 596 HD22 LEU 77 1HD2 LEU 77 -4.203 7.367 0.021 597 HD23 LEU 77 2HD2 LEU 77 -2.870 6.223 0.202 598 H ARG 78 H ARG 78 -3.538 11.894 0.841 599 HA ARG 78 HA ARG 78 -5.596 13.324 2.484 600 HB2 ARG 78 2HB ARG 78 -3.795 14.398 0.272 601 HB3 ARG 78 3HB ARG 78 -5.261 15.224 0.764 602 HG2 ARG 78 2HG ARG 78 -2.874 14.654 2.579 603 HG3 ARG 78 3HG ARG 78 -3.334 16.195 1.860 604 HD2 ARG 78 2HD ARG 78 -4.292 16.525 3.886 605 HD3 ARG 78 3HD ARG 78 -5.660 15.704 3.098 606 HE ARG 78 HE ARG 78 -4.257 13.616 4.222 607 HH11 ARG 78 1HH2 ARG 78 -5.606 16.527 5.639 608 HH12 ARG 78 2HH2 ARG 78 -5.846 15.756 7.182 609 HH21 ARG 78 1HH1 ARG 78 -4.553 12.712 6.202 610 HH22 ARG 78 2HH1 ARG 78 -5.256 13.652 7.483 611 H TRP 79 H TRP 79 -7.292 14.321 1.183 612 HA TRP 79 HA TRP 79 -8.973 12.285 0.713 613 HB2 TRP 79 2HB TRP 79 -10.267 14.032 1.056 614 HB3 TRP 79 3HB TRP 79 -9.068 15.162 0.474 615 HD1 TRP 79 HD1 TRP 79 -12.273 13.477 -0.566 616 HE1 TRP 79 HE1 TRP 79 -13.096 14.482 -2.786 617 HE3 TRP 79 HE3 TRP 79 -8.107 16.155 -1.819 618 HZ2 TRP 79 HZ2 TRP 79 -12.067 16.248 -4.841 619 HZ3 TRP 79 HZ3 TRP 79 -8.045 17.507 -3.893 620 HH2 TRP 79 HH2 TRP 79 -10.020 17.564 -5.417 621 H ASP 80 H ASP 80 -7.274 13.946 -2.005 622 HA ASP 80 HA ASP 80 -8.694 12.572 -4.052 623 HB2 ASP 80 2HB ASP 80 -7.415 14.685 -4.337 624 HB3 ASP 80 3HB ASP 80 -5.910 13.794 -4.132 625 H ASP 81 H ASP 81 -6.069 11.491 -2.086 626 HA ASP 81 HA ASP 81 -5.253 9.280 -3.909 627 HB2 ASP 81 2HB ASP 81 -3.946 10.546 -1.482 628 HB3 ASP 81 3HB ASP 81 -3.505 8.937 -2.049 629 H GLN 82 H GLN 82 -6.598 10.000 -0.692 630 HA GLN 82 HA GLN 82 -7.176 7.368 0.193 631 HB2 GLN 82 2HB GLN 82 -8.488 10.085 0.555 632 HB3 GLN 82 3HB GLN 82 -9.175 8.651 1.303 633 HG2 GLN 82 2HG GLN 82 -7.104 8.204 2.504 634 HG3 GLN 82 3HG GLN 82 -6.312 9.577 1.728 635 HE21 GLN 82 2HE2 GLN 82 -6.375 9.413 4.511 636 HE22 GLN 82 1HE2 GLN 82 -7.426 10.704 5.103 637 H GLN 83 H GLN 83 -9.241 9.616 -1.746 638 HA GLN 83 HA GLN 83 -11.325 7.703 -2.178 639 HB2 GLN 83 2HB GLN 83 -10.533 10.239 -3.654 640 HB3 GLN 83 3HB GLN 83 -12.010 9.337 -3.992 641 HG2 GLN 83 2HG GLN 83 -11.355 10.391 -1.200 642 HG3 GLN 83 3HG GLN 83 -12.199 11.344 -2.408 643 HE21 GLN 83 2HE2 GLN 83 -14.358 10.583 -3.161 644 HE22 GLN 83 1HE2 GLN 83 -15.274 9.504 -2.120 645 H LYS 84 H LYS 84 -8.255 8.163 -3.904 646 HA LYS 84 HA LYS 84 -9.021 6.574 -6.231 647 HB2 LYS 84 2HB LYS 84 -7.488 8.351 -6.531 648 HB3 LYS 84 3HB LYS 84 -6.497 7.869 -5.168 649 HG2 LYS 84 2HG LYS 84 -6.770 6.022 -7.544 650 HG3 LYS 84 3HG LYS 84 -5.732 7.437 -7.653 651 HD2 LYS 84 2HD LYS 84 -5.485 5.233 -5.579 652 HD3 LYS 84 3HD LYS 84 -4.462 5.436 -7.003 653 HE2 LYS 84 2HE LYS 84 -4.645 7.281 -4.584 654 HE3 LYS 84 3HE LYS 84 -3.352 6.149 -4.940 655 HZ1 LYS 84 3HZ LYS 84 -2.712 7.460 -6.836 656 HZ2 LYS 84 1HZ LYS 84 -4.017 8.448 -6.701 657 HZ3 LYS 84 2HZ LYS 84 -2.863 8.487 -5.558 658 H VAL 85 H VAL 85 -7.293 6.068 -3.136 659 HA VAL 85 HA VAL 85 -6.687 3.266 -3.677 660 HB VAL 85 HB VAL 85 -6.811 4.926 -1.143 661 HG11 VAL 85 1HG1 VAL 85 -6.072 1.969 -1.319 662 HG12 VAL 85 2HG1 VAL 85 -5.728 3.024 0.064 663 HG13 VAL 85 3HG1 VAL 85 -7.399 2.679 -0.367 664 HG21 VAL 85 3HG2 VAL 85 -4.884 5.210 -2.756 665 HG22 VAL 85 1HG2 VAL 85 -4.422 4.689 -1.132 666 HG23 VAL 85 2HG2 VAL 85 -4.461 3.508 -2.453 667 H LYS 86 H LYS 86 -9.389 4.867 -1.939 668 HA LYS 86 HA LYS 86 -10.920 2.516 -1.381 669 HB2 LYS 86 2HB LYS 86 -11.758 5.398 -1.914 670 HB3 LYS 86 3HB LYS 86 -12.864 4.135 -1.370 671 HG2 LYS 86 2HG LYS 86 -11.638 3.849 0.712 672 HG3 LYS 86 3HG LYS 86 -10.364 4.939 0.193 673 HD2 LYS 86 2HD LYS 86 -11.792 6.136 1.720 674 HD3 LYS 86 3HD LYS 86 -12.021 6.800 0.096 675 HE2 LYS 86 2HE LYS 86 -14.079 5.230 -0.024 676 HE3 LYS 86 3HE LYS 86 -13.807 4.937 1.709 677 HZ1 LYS 86 3HZ LYS 86 -14.116 7.314 2.091 678 HZ2 LYS 86 1HZ LYS 86 -14.208 7.635 0.491 679 HZ3 LYS 86 2HZ LYS 86 -15.403 6.788 1.235 680 H LYS 87 H LYS 87 -11.084 4.684 -4.257 681 HA LYS 87 HA LYS 87 -13.053 3.110 -5.671 682 HB2 LYS 87 2HB LYS 87 -11.053 5.171 -6.577 683 HB3 LYS 87 3HB LYS 87 -12.081 4.281 -7.708 684 HG2 LYS 87 2HG LYS 87 -14.120 4.982 -6.526 685 HG3 LYS 87 3HG LYS 87 -13.160 5.891 -5.344 686 HD2 LYS 87 2HD LYS 87 -12.207 7.238 -7.204 687 HD3 LYS 87 3HD LYS 87 -13.221 6.322 -8.346 688 HE2 LYS 87 2HE LYS 87 -15.261 7.117 -7.145 689 HE3 LYS 87 3HE LYS 87 -14.244 8.049 -6.039 690 HZ1 LYS 87 3HZ LYS 87 -14.423 8.490 -8.976 691 HZ2 LYS 87 1HZ LYS 87 -15.105 9.439 -7.840 692 HZ3 LYS 87 2HZ LYS 87 -13.479 9.355 -7.960 693 H THR 88 H THR 88 -9.474 2.986 -5.783 694 HA THR 88 HA THR 88 -9.298 0.945 -7.736 695 HB THR 88 HB THR 88 -7.339 1.581 -5.507 696 HG1 THR 88 1HG THR 88 -7.643 3.317 -6.817 697 HG21 THR 88 1HG2 THR 88 -7.108 0.049 -8.116 698 HG22 THR 88 2HG2 THR 88 -5.711 0.629 -7.183 699 HG23 THR 88 3HG2 THR 88 -6.812 -0.578 -6.488 700 H ALA 89 H ALA 89 -9.811 0.661 -4.201 701 HA ALA 89 HA ALA 89 -9.519 -2.211 -4.102 702 HB1 ALA 89 1HB ALA 89 -10.942 -0.232 -2.274 703 HB2 ALA 89 2HB ALA 89 -10.617 -1.936 -1.919 704 HB3 ALA 89 3HB ALA 89 -9.265 -0.799 -2.126 705 H GLU 90 H GLU 90 -12.290 0.043 -4.567 706 HA GLU 90 HA GLU 90 -14.262 -2.045 -4.775 707 HB2 GLU 90 2HB GLU 90 -14.271 0.838 -5.755 708 HB3 GLU 90 3HB GLU 90 -15.655 -0.250 -5.885 709 HG2 GLU 90 2HG GLU 90 -15.635 -0.571 -3.419 710 HG3 GLU 90 3HG GLU 90 -14.320 0.594 -3.286 711 H ALA 91 H ALA 91 -12.180 -0.486 -7.137 712 HA ALA 91 HA ALA 91 -13.312 -1.714 -9.483 713 HB1 ALA 91 1HB ALA 91 -11.359 -0.613 -10.559 714 HB2 ALA 91 2HB ALA 91 -12.200 0.489 -9.447 715 HB3 ALA 91 3HB ALA 91 -10.679 -0.265 -8.950 716 H GLY 92 H GLY 92 -11.339 -3.063 -7.059 717 HA2 GLY 92 2HA GLY 92 -10.370 -5.143 -6.888 718 HA3 GLY 92 3HA GLY 92 -10.885 -5.520 -8.536 719 H GLY 93 H GLY 93 -8.856 -2.701 -7.805 720 HA2 GLY 93 2HA GLY 93 -6.500 -2.634 -7.709 721 HA3 GLY 93 3HA GLY 93 -6.381 -4.109 -8.660 722 H VAL 94 H VAL 94 -5.125 -1.499 -8.932 723 HA VAL 94 HA VAL 94 -5.650 -0.998 -11.827 724 HB VAL 94 HB VAL 94 -5.315 1.088 -9.648 725 HG11 VAL 94 1HG1 VAL 94 -4.949 1.501 -12.650 726 HG12 VAL 94 2HG1 VAL 94 -5.170 2.801 -11.457 727 HG13 VAL 94 3HG1 VAL 94 -3.734 1.780 -11.388 728 HG21 VAL 94 3HG2 VAL 94 -7.638 0.364 -10.292 729 HG22 VAL 94 1HG2 VAL 94 -7.318 2.057 -10.681 730 HG23 VAL 94 2HG2 VAL 94 -7.289 0.824 -11.965 731 H THR 95 H THR 95 -3.922 -0.660 -13.082 732 HA THR 95 HA THR 95 -1.190 -0.663 -11.914 733 HB THR 95 HB THR 95 -0.415 -2.106 -13.726 734 HG1 THR 95 1HG THR 95 -1.959 -3.150 -15.024 735 HG21 THR 95 1HG2 THR 95 -2.797 -3.385 -12.314 736 HG22 THR 95 2HG2 THR 95 -1.339 -4.203 -12.927 737 HG23 THR 95 3HG2 THR 95 -1.228 -3.089 -11.546 738 H GLY 96 H GLY 96 0.475 0.053 -13.610 739 HA2 GLY 96 2HA GLY 96 1.082 1.553 -15.338 740 HA3 GLY 96 3HA GLY 96 -0.576 2.155 -15.420 741 H LYS 97 H LYS 97 0.379 2.075 -12.189 742 HA LYS 97 HA LYS 97 1.530 4.832 -12.164 743 HB2 LYS 97 2HB LYS 97 -0.708 3.793 -10.369 744 HB3 LYS 97 3HB LYS 97 0.162 5.319 -10.143 745 HG2 LYS 97 2HG LYS 97 -0.590 6.063 -12.411 746 HG3 LYS 97 3HG LYS 97 -1.536 4.572 -12.568 747 HD2 LYS 97 2HD LYS 97 -2.881 5.205 -10.584 748 HD3 LYS 97 3HD LYS 97 -1.943 6.712 -10.438 749 HE2 LYS 97 2HE LYS 97 -2.637 7.348 -12.750 750 HE3 LYS 97 3HE LYS 97 -3.587 5.865 -12.871 751 HZ1 LYS 97 3HZ LYS 97 -4.960 6.675 -11.022 752 HZ2 LYS 97 1HZ LYS 97 -4.079 8.056 -10.922 753 HZ3 LYS 97 2HZ LYS 97 -4.975 7.750 -12.249 754 H GLY 98 H GLY 98 3.114 5.198 -10.649 755 HA2 GLY 98 2HA GLY 98 4.937 4.573 -9.309 756 HA3 GLY 98 3HA GLY 98 4.066 3.125 -8.804 757 H GLN 99 H GLN 99 6.097 1.981 -9.094 758 HA GLN 99 HA GLN 99 7.727 0.847 -10.135 759 HB2 GLN 99 2HB GLN 99 5.587 -0.398 -10.720 760 HB3 GLN 99 3HB GLN 99 5.733 0.280 -12.346 761 HG2 GLN 99 2HG GLN 99 7.989 -0.819 -12.555 762 HG3 GLN 99 3HG GLN 99 7.813 -1.459 -10.929 763 HE21 GLN 99 2HE2 GLN 99 8.330 -3.344 -12.727 764 HE22 GLN 99 1HE2 GLN 99 6.875 -4.211 -13.201 765 H ASP 100 H ASP 100 8.106 3.452 -10.446 766 HA ASP 100 HA ASP 100 9.802 3.582 -12.846 767 HB2 ASP 100 2HB ASP 100 7.655 4.523 -13.594 768 HB3 ASP 100 3HB ASP 100 7.630 5.618 -12.210 769 H GLY 101 H GLY 101 11.662 4.730 -12.454 770 HA2 GLY 101 2HA GLY 101 13.351 5.690 -11.160 771 HA3 GLY 101 3HA GLY 101 12.150 6.293 -10.018 772 H ILE 102 H ILE 102 14.191 5.473 -8.711 773 HA ILE 102 HA ILE 102 13.456 2.903 -7.491 774 HB ILE 102 HB ILE 102 15.049 2.384 -9.343 775 HG12 ILE 102 2HG1 ILE 102 16.042 1.717 -6.549 776 HG13 ILE 102 3HG1 ILE 102 14.731 0.912 -7.418 777 HG21 ILE 102 1HG2 ILE 102 16.461 4.459 -9.135 778 HG22 ILE 102 2HG2 ILE 102 17.181 3.765 -7.667 779 HG23 ILE 102 3HG2 ILE 102 17.383 2.962 -9.235 780 HD11 ILE 102 3HD1 ILE 102 17.677 0.912 -8.171 781 HD12 ILE 102 1HD1 ILE 102 16.702 -0.446 -7.589 782 HD13 ILE 102 2HD1 ILE 102 16.379 0.246 -9.192 783 H GLY 103 H GLY 103 14.029 2.681 -5.362 784 HA2 GLY 103 2HA GLY 103 14.842 5.028 -3.809 785 HA3 GLY 103 3HA GLY 103 14.539 3.402 -3.193 786 H SER 104 H SER 104 16.865 5.574 -3.171 787 HA SER 104 HA SER 104 19.149 3.712 -3.719 788 HB2 SER 104 2HB SER 104 18.908 6.662 -4.407 789 HB3 SER 104 3HB SER 104 20.388 5.698 -4.552 790 HG SER 104 HG SER 104 19.216 5.834 -6.531 791 H LYS 105 H LYS 105 21.074 4.056 -2.641 792 HA LYS 105 HA LYS 105 20.916 4.990 0.119 793 HB2 LYS 105 2HB LYS 105 23.223 4.165 0.281 794 HB3 LYS 105 3HB LYS 105 22.125 2.961 -0.381 795 HG2 LYS 105 2HG LYS 105 22.941 3.400 -2.664 796 HG3 LYS 105 3HG LYS 105 24.012 4.671 -2.076 797 HD2 LYS 105 2HD LYS 105 24.154 1.757 -1.180 798 HD3 LYS 105 3HD LYS 105 25.076 2.390 -2.539 799 HE2 LYS 105 2HE LYS 105 25.289 3.502 0.297 800 HE3 LYS 105 3HE LYS 105 26.320 2.218 -0.330 801 HZ1 LYS 105 3HZ LYS 105 26.149 4.928 -1.529 802 HZ2 LYS 105 1HZ LYS 105 27.359 4.411 -0.563 803 HZ3 LYS 105 2HZ LYS 105 27.133 3.720 -2.027 804 H ALA 106 H ALA 106 22.542 6.379 1.099 805 HA ALA 106 HA ALA 106 23.917 8.376 -0.473 806 HB1 ALA 106 1HB ALA 106 22.817 10.291 0.658 807 HB2 ALA 106 2HB ALA 106 21.665 9.394 -0.348 808 HB3 ALA 106 3HB ALA 106 21.654 9.183 1.419 809 H GLU 107 H GLU 107 25.610 9.156 0.649 810 HA GLU 107 HA GLU 107 25.971 8.672 3.549 811 HB2 GLU 107 2HB GLU 107 28.077 7.530 3.283 812 HB3 GLU 107 3HB GLU 107 26.804 6.638 2.458 813 HG2 GLU 107 2HG GLU 107 27.575 7.650 0.275 814 HG3 GLU 107 3HG GLU 107 28.910 8.413 1.143 815 H LYS 108 H LYS 108 27.929 9.685 4.435 816 HA LYS 108 HA LYS 108 28.194 12.447 3.475 817 HB2 LYS 108 2HB LYS 108 29.330 11.016 5.912 818 HB3 LYS 108 3HB LYS 108 29.531 12.735 5.557 819 HG2 LYS 108 2HG LYS 108 27.068 13.053 5.619 820 HG3 LYS 108 3HG LYS 108 26.857 11.336 6.019 821 HD2 LYS 108 2HD LYS 108 28.190 11.651 8.090 822 HD3 LYS 108 3HD LYS 108 28.390 13.373 7.696 823 HE2 LYS 108 2HE LYS 108 25.923 13.667 7.747 824 HE3 LYS 108 3HE LYS 108 25.722 11.954 8.135 825 HZ1 LYS 108 3HZ LYS 108 27.135 13.931 9.849 826 HZ2 LYS 108 1HZ LYS 108 25.647 13.329 10.136 827 HZ3 LYS 108 2HZ LYS 108 26.947 12.348 10.207 Start of MODEL 14 1 H1 MET 1 H1 MET 1 -3.322 -2.881 23.832 2 H2 MET 1 H2 MET 1 -2.303 -3.513 24.946 3 H3 MET 1 H3 MET 1 -1.700 -2.864 23.567 4 HA MET 1 HA MET 1 -3.103 -1.399 25.698 5 HB2 MET 1 2HB MET 1 -0.832 -2.113 26.353 6 HB3 MET 1 3HB MET 1 -0.152 -1.284 24.949 7 HG2 MET 1 2HG MET 1 -1.008 0.876 25.815 8 HG3 MET 1 3HG MET 1 -1.735 0.037 27.192 9 HE1 MET 1 1HE MET 1 -0.573 1.759 28.827 10 HE2 MET 1 2HE MET 1 1.170 2.114 28.816 11 HE3 MET 1 3HE MET 1 0.160 2.588 27.432 12 H ALA 2 H ALA 2 -0.958 -0.723 22.865 13 HA ALA 2 HA ALA 2 -2.868 1.320 21.880 14 HB1 ALA 2 1HB ALA 2 0.018 1.941 22.660 15 HB2 ALA 2 2HB ALA 2 -1.130 3.069 21.904 16 HB3 ALA 2 3HB ALA 2 -1.431 2.474 23.543 17 H GLU 3 H GLU 3 -1.111 -1.303 21.079 18 HA GLU 3 HA GLU 3 0.465 -0.515 18.861 19 HB2 GLU 3 2HB GLU 3 -0.765 -3.257 19.351 20 HB3 GLU 3 3HB GLU 3 0.622 -2.863 18.346 21 HG2 GLU 3 2HG GLU 3 1.778 -3.565 20.150 22 HG3 GLU 3 3HG GLU 3 1.599 -1.891 20.652 23 H SER 4 H SER 4 0.234 -0.701 16.650 24 HA SER 4 HA SER 4 -2.553 -0.613 15.582 25 HB2 SER 4 2HB SER 4 -0.034 0.672 14.484 26 HB3 SER 4 3HB SER 4 -1.677 0.842 13.837 27 HG SER 4 HG SER 4 -1.094 2.601 15.194 28 H SER 5 H SER 5 -0.571 -3.009 15.830 29 HA SER 5 HA SER 5 -0.122 -3.727 13.009 30 HB2 SER 5 2HB SER 5 0.703 -5.232 15.512 31 HB3 SER 5 3HB SER 5 1.321 -5.465 13.865 32 HG SER 5 HG SER 5 2.724 -4.173 15.165 33 H ASP 6 H ASP 6 -2.785 -4.143 14.800 34 HA ASP 6 HA ASP 6 -3.321 -6.865 13.938 35 HB2 ASP 6 2HB ASP 6 -4.088 -6.017 16.141 36 HB3 ASP 6 3HB ASP 6 -5.158 -4.878 15.320 37 H LYS 7 H LYS 7 -2.669 -5.702 11.736 38 HA LYS 7 HA LYS 7 -5.076 -5.086 10.106 39 HB2 LYS 7 2HB LYS 7 -2.265 -3.875 9.967 40 HB3 LYS 7 3HB LYS 7 -3.637 -3.413 8.965 41 HG2 LYS 7 2HG LYS 7 -3.481 -3.025 11.991 42 HG3 LYS 7 3HG LYS 7 -3.108 -1.803 10.803 43 HD2 LYS 7 2HD LYS 7 -5.405 -1.821 9.959 44 HD3 LYS 7 3HD LYS 7 -5.827 -3.163 11.048 45 HE2 LYS 7 2HE LYS 7 -5.173 -1.748 13.006 46 HE3 LYS 7 3HE LYS 7 -4.876 -0.400 11.898 47 HZ1 LYS 7 3HZ LYS 7 -7.109 -0.180 12.724 48 HZ2 LYS 7 1HZ LYS 7 -7.253 -0.684 11.161 49 HZ3 LYS 7 2HZ LYS 7 -7.485 -1.735 12.385 50 H LEU 8 H LEU 8 -4.469 -5.288 7.791 51 HA LEU 8 HA LEU 8 -2.594 -7.585 7.247 52 HB2 LEU 8 2HB LEU 8 -5.040 -6.625 5.695 53 HB3 LEU 8 3HB LEU 8 -4.054 -8.027 5.295 54 HG LEU 8 HG LEU 8 -5.776 -7.776 7.807 55 HD11 LEU 8 1HD1 LEU 8 -7.288 -9.289 6.612 56 HD12 LEU 8 2HD1 LEU 8 -7.056 -7.759 5.733 57 HD13 LEU 8 3HD1 LEU 8 -6.220 -9.230 5.179 58 HD21 LEU 8 3HD2 LEU 8 -3.882 -9.319 8.108 59 HD22 LEU 8 1HD2 LEU 8 -5.403 -10.219 7.971 60 HD23 LEU 8 2HD2 LEU 8 -4.288 -10.140 6.585 61 H TYR 9 H TYR 9 -3.303 -4.251 6.610 62 HA TYR 9 HA TYR 9 -1.558 -4.234 4.202 63 HB2 TYR 9 2HB TYR 9 -4.325 -3.024 4.408 64 HB3 TYR 9 3HB TYR 9 -3.278 -3.004 2.987 65 HD1 TYR 9 HD2 TYR 9 -2.444 -5.849 2.797 66 HD2 TYR 9 HD1 TYR 9 -6.261 -4.110 3.740 67 HE1 TYR 9 HE2 TYR 9 -3.569 -7.952 2.076 68 HE2 TYR 9 HE1 TYR 9 -7.396 -6.198 2.999 69 HH TYR 9 HH TYR 9 -7.109 -8.203 1.924 70 H ARG 10 H ARG 10 -0.700 -2.240 3.669 71 HA ARG 10 HA ARG 10 -1.012 0.049 5.518 72 HB2 ARG 10 2HB ARG 10 0.902 -0.943 6.438 73 HB3 ARG 10 3HB ARG 10 1.446 -1.549 4.893 74 HG2 ARG 10 2HG ARG 10 3.011 0.086 5.625 75 HG3 ARG 10 3HG ARG 10 2.192 0.691 4.204 76 HD2 ARG 10 2HD ARG 10 2.339 2.549 5.668 77 HD3 ARG 10 3HD ARG 10 0.672 2.018 5.780 78 HE ARG 10 HE ARG 10 1.021 1.217 7.985 79 HH11 ARG 10 1HH2 ARG 10 3.963 2.932 6.909 80 HH12 ARG 10 2HH2 ARG 10 4.615 2.807 8.513 81 HH21 ARG 10 1HH1 ARG 10 1.814 1.378 9.872 82 HH22 ARG 10 2HH1 ARG 10 3.436 1.993 10.185 83 H VAL 11 H VAL 11 -0.804 2.061 4.490 84 HA VAL 11 HA VAL 11 0.288 2.237 1.732 85 HB VAL 11 HB VAL 11 -2.245 1.979 1.692 86 HG11 VAL 11 1HG1 VAL 11 -2.257 4.885 2.640 87 HG12 VAL 11 2HG1 VAL 11 -3.652 3.884 2.188 88 HG13 VAL 11 3HG1 VAL 11 -2.712 3.526 3.652 89 HG21 VAL 11 3HG2 VAL 11 -2.526 3.630 -0.086 90 HG22 VAL 11 1HG2 VAL 11 -1.176 4.606 0.534 91 HG23 VAL 11 2HG2 VAL 11 -0.864 3.030 -0.182 92 H GLU 12 H GLU 12 1.337 4.188 1.293 93 HA GLU 12 HA GLU 12 1.075 6.549 2.916 94 HB2 GLU 12 2HB GLU 12 3.351 6.511 3.918 95 HB3 GLU 12 3HB GLU 12 2.331 5.259 4.598 96 HG2 GLU 12 2HG GLU 12 3.417 3.562 3.133 97 HG3 GLU 12 3HG GLU 12 4.431 4.826 2.429 98 H TYR 13 H TYR 13 2.352 8.251 2.263 99 HA TYR 13 HA TYR 13 3.740 8.086 -0.319 100 HB2 TYR 13 2HB TYR 13 3.793 10.293 1.755 101 HB3 TYR 13 3HB TYR 13 4.252 10.405 0.061 102 HD1 TYR 13 HD1 TYR 13 2.099 9.215 -1.451 103 HD2 TYR 13 HD2 TYR 13 1.819 11.415 2.236 104 HE1 TYR 13 HE1 TYR 13 -0.134 10.089 -2.146 105 HE2 TYR 13 HE2 TYR 13 -0.417 12.281 1.556 106 HH TYR 13 HH TYR 13 -1.863 11.480 -1.630 107 H ALA 14 H ALA 14 5.842 7.663 -0.599 108 HA ALA 14 HA ALA 14 7.403 6.562 1.549 109 HB1 ALA 14 1HB ALA 14 8.025 7.190 -1.367 110 HB2 ALA 14 2HB ALA 14 9.056 6.217 -0.295 111 HB3 ALA 14 3HB ALA 14 7.422 5.661 -0.722 112 H LYS 15 H LYS 15 8.174 7.900 3.096 113 HA LYS 15 HA LYS 15 9.215 10.561 2.606 114 HB2 LYS 15 2HB LYS 15 8.080 9.804 4.693 115 HB3 LYS 15 3HB LYS 15 9.425 8.721 5.031 116 HG2 LYS 15 2HG LYS 15 9.557 10.705 6.406 117 HG3 LYS 15 3HG LYS 15 10.940 10.652 5.317 118 HD2 LYS 15 2HD LYS 15 9.874 12.344 3.851 119 HD3 LYS 15 3HD LYS 15 8.423 12.332 4.882 120 HE2 LYS 15 2HE LYS 15 9.815 13.080 6.810 121 HE3 LYS 15 3HE LYS 15 11.242 13.108 5.766 122 HZ1 LYS 15 3HZ LYS 15 10.253 15.317 5.974 123 HZ2 LYS 15 1HZ LYS 15 10.142 14.825 4.423 124 HZ3 LYS 15 2HZ LYS 15 8.822 14.796 5.390 125 H SER 16 H SER 16 10.666 7.428 2.564 126 HA SER 16 HA SER 16 13.254 8.440 1.701 127 HB2 SER 16 2HB SER 16 13.443 8.452 4.199 128 HB3 SER 16 3HB SER 16 13.140 6.703 4.198 129 HG SER 16 HG SER 16 15.415 7.465 4.150 130 H GLY 17 H GLY 17 14.381 6.863 0.526 131 HA2 GLY 17 2HA GLY 17 12.569 4.947 -0.689 132 HA3 GLY 17 3HA GLY 17 14.151 5.416 -1.287 133 H ARG 18 H ARG 18 13.494 4.050 1.929 134 HA ARG 18 HA ARG 18 15.589 2.023 1.509 135 HB2 ARG 18 2HB ARG 18 13.916 2.617 3.984 136 HB3 ARG 18 3HB ARG 18 15.387 1.650 3.925 137 HG2 ARG 18 2HG ARG 18 15.189 4.642 3.391 138 HG3 ARG 18 3HG ARG 18 15.815 3.877 4.848 139 HD2 ARG 18 2HD ARG 18 17.660 2.876 3.582 140 HD3 ARG 18 3HD ARG 18 17.036 3.572 2.071 141 HE ARG 18 HE ARG 18 17.321 5.746 3.773 142 HH11 ARG 18 1HH2 ARG 18 19.565 3.368 2.509 143 HH12 ARG 18 2HH2 ARG 18 20.905 4.480 2.545 144 HH21 ARG 18 1HH1 ARG 18 19.081 7.103 3.819 145 HH22 ARG 18 2HH1 ARG 18 20.628 6.541 3.258 146 H ALA 19 H ALA 19 12.184 1.933 1.248 147 HA ALA 19 HA ALA 19 11.848 -0.883 1.910 148 HB1 ALA 19 1HB ALA 19 10.040 1.086 0.448 149 HB2 ALA 19 2HB ALA 19 9.588 -0.535 1.004 150 HB3 ALA 19 3HB ALA 19 10.005 0.712 2.191 151 H SER 20 H SER 20 11.515 -2.600 0.480 152 HA SER 20 HA SER 20 12.437 -2.227 -2.327 153 HB2 SER 20 2HB SER 20 13.345 -4.506 -2.238 154 HB3 SER 20 3HB SER 20 14.173 -3.360 -1.173 155 HG SER 20 HG SER 20 13.781 -5.334 -0.104 156 H CYS 21 HN CYS 21 11.234 -3.042 -3.930 157 HA CYS 21 HA CYS 21 8.482 -3.753 -3.268 158 HB2 CYS 21 2HB CYS 21 9.087 -2.235 -5.110 159 HB3 CYS 21 3HB CYS 21 9.903 -3.574 -5.938 160 H LYS 22 H LYS 22 8.006 -5.748 -2.623 161 HA LYS 22 HA LYS 22 9.676 -8.049 -3.191 162 HB2 LYS 22 2HB LYS 22 6.849 -8.146 -2.126 163 HB3 LYS 22 3HB LYS 22 8.111 -9.320 -1.854 164 HG2 LYS 22 2HG LYS 22 8.016 -6.482 -0.761 165 HG3 LYS 22 3HG LYS 22 7.568 -7.914 0.122 166 HD2 LYS 22 2HD LYS 22 10.365 -7.281 -0.909 167 HD3 LYS 22 3HD LYS 22 9.789 -7.063 0.753 168 HE2 LYS 22 2HE LYS 22 9.336 -9.493 0.938 169 HE3 LYS 22 3HE LYS 22 9.933 -9.735 -0.710 170 HZ1 LYS 22 3HZ LYS 22 12.107 -8.909 0.025 171 HZ2 LYS 22 1HZ LYS 22 11.558 -8.692 1.549 172 HZ3 LYS 22 2HZ LYS 22 11.664 -10.196 0.925 173 H LYS 23 H LYS 23 7.414 -6.582 -5.167 174 HA LYS 23 HA LYS 23 6.501 -9.097 -6.482 175 HB2 LYS 23 2HB LYS 23 4.762 -7.563 -5.742 176 HB3 LYS 23 3HB LYS 23 5.498 -6.246 -6.653 177 HG2 LYS 23 2HG LYS 23 3.512 -7.126 -7.773 178 HG3 LYS 23 3HG LYS 23 4.947 -7.332 -8.775 179 HD2 LYS 23 2HD LYS 23 5.061 -9.729 -8.179 180 HD3 LYS 23 3HD LYS 23 3.697 -9.532 -7.062 181 HE2 LYS 23 2HE LYS 23 2.263 -8.829 -8.967 182 HE3 LYS 23 3HE LYS 23 3.628 -9.041 -10.072 183 HZ1 LYS 23 3HZ LYS 23 3.640 -11.410 -9.493 184 HZ2 LYS 23 1HZ LYS 23 2.384 -11.214 -8.461 185 HZ3 LYS 23 2HZ LYS 23 2.167 -10.989 -10.059 186 H CYS 24 HN CYS 24 7.923 -5.926 -7.459 187 HA CYS 24 HA CYS 24 8.773 -7.251 -9.985 188 HB2 CYS 24 2HB CYS 24 8.653 -5.278 -11.137 189 HB3 CYS 24 3HB CYS 24 7.164 -5.388 -10.207 190 H SER 25 H SER 25 10.141 -6.654 -7.117 191 HA SER 25 HA SER 25 12.214 -6.769 -6.322 192 HB2 SER 25 2HB SER 25 12.976 -7.852 -9.041 193 HB3 SER 25 3HB SER 25 13.887 -8.040 -7.533 194 HG SER 25 HG SER 25 12.557 -9.862 -7.983 195 H GLU 26 H GLU 26 11.514 -4.212 -7.682 196 HA GLU 26 HA GLU 26 14.249 -3.013 -7.892 197 HB2 GLU 26 2HB GLU 26 11.508 -1.785 -8.383 198 HB3 GLU 26 3HB GLU 26 13.060 -0.947 -8.510 199 HG2 GLU 26 2HG GLU 26 13.745 -2.649 -10.256 200 HG3 GLU 26 3HG GLU 26 12.073 -3.221 -10.269 201 H SER 27 H SER 27 14.251 -0.765 -6.634 202 HA SER 27 HA SER 27 13.018 -1.180 -3.943 203 HB2 SER 27 2HB SER 27 15.522 0.390 -4.483 204 HB3 SER 27 3HB SER 27 14.699 0.113 -2.922 205 HG SER 27 HG SER 27 16.480 -1.336 -3.296 206 H ILE 28 H ILE 28 11.899 0.433 -2.977 207 HA ILE 28 HA ILE 28 10.436 1.887 -5.012 208 HB ILE 28 HB ILE 28 9.947 1.593 -2.033 209 HG12 ILE 28 2HG1 ILE 28 8.629 0.090 -4.341 210 HG13 ILE 28 3HG1 ILE 28 9.950 -0.567 -3.378 211 HG21 ILE 28 1HG2 ILE 28 8.756 3.570 -2.973 212 HG22 ILE 28 2HG2 ILE 28 8.084 2.553 -4.266 213 HG23 ILE 28 3HG2 ILE 28 7.628 2.281 -2.580 214 HD11 ILE 28 3HD1 ILE 28 8.568 -0.308 -1.315 215 HD12 ILE 28 1HD1 ILE 28 7.182 0.107 -2.353 216 HD13 ILE 28 2HD1 ILE 28 7.957 -1.478 -2.496 217 HA PRO 29 HA PRO 29 12.787 5.598 -4.069 218 HB2 PRO 29 2HB PRO 29 11.745 7.354 -5.875 219 HB3 PRO 29 3HB PRO 29 12.793 5.981 -6.350 220 HG2 PRO 29 2HG PRO 29 9.756 6.092 -6.356 221 HG3 PRO 29 3HG PRO 29 10.841 5.563 -7.682 222 HD2 PRO 29 2HD PRO 29 9.671 3.792 -5.971 223 HD3 PRO 29 3HD PRO 29 11.334 3.529 -6.590 224 H LYS 30 H LYS 30 12.567 7.588 -3.013 225 HA LYS 30 HA LYS 30 10.143 8.015 -1.444 226 HB2 LYS 30 2HB LYS 30 11.293 9.876 -0.432 227 HB3 LYS 30 3HB LYS 30 12.301 8.432 -0.447 228 HG2 LYS 30 2HG LYS 30 13.540 9.308 -2.402 229 HG3 LYS 30 3HG LYS 30 12.560 10.779 -2.368 230 HD2 LYS 30 2HD LYS 30 14.399 9.791 -0.144 231 HD3 LYS 30 3HD LYS 30 14.819 11.034 -1.312 232 HE2 LYS 30 2HE LYS 30 12.520 11.256 0.689 233 HE3 LYS 30 3HE LYS 30 14.144 11.886 0.952 234 HZ1 LYS 30 3HZ LYS 30 12.730 13.627 0.115 235 HZ2 LYS 30 1HZ LYS 30 13.830 13.292 -1.043 236 HZ3 LYS 30 2HZ LYS 30 12.278 12.778 -1.195 237 H ASP 31 H ASP 31 9.078 10.104 -1.314 238 HA ASP 31 HA ASP 31 7.526 11.473 -2.195 239 HB2 ASP 31 2HB ASP 31 9.621 12.168 -4.275 240 HB3 ASP 31 3HB ASP 31 8.155 13.080 -3.932 241 H SER 32 H SER 32 7.254 8.810 -2.826 242 HA SER 32 HA SER 32 5.426 8.942 -5.147 243 HB2 SER 32 2HB SER 32 7.618 7.892 -5.869 244 HB3 SER 32 3HB SER 32 7.306 6.594 -4.697 245 HG SER 32 HG SER 32 6.538 6.117 -6.837 246 H LEU 33 H LEU 33 3.986 6.863 -5.064 247 HA LEU 33 HA LEU 33 3.011 6.613 -2.261 248 HB2 LEU 33 2HB LEU 33 1.466 7.564 -3.968 249 HB3 LEU 33 3HB LEU 33 1.617 6.076 -4.904 250 HG LEU 33 HG LEU 33 0.660 4.819 -2.921 251 HD11 LEU 33 1HD1 LEU 33 -0.043 7.620 -1.940 252 HD12 LEU 33 2HD1 LEU 33 -0.645 6.093 -1.271 253 HD13 LEU 33 3HD1 LEU 33 1.067 6.501 -1.134 254 HD21 LEU 33 3HD2 LEU 33 -0.705 5.496 -4.879 255 HD22 LEU 33 1HD2 LEU 33 -1.643 5.469 -3.375 256 HD23 LEU 33 2HD2 LEU 33 -1.098 7.027 -4.047 257 H ARG 34 H ARG 34 2.915 4.680 -1.223 258 HA ARG 34 HA ARG 34 3.491 2.163 -2.661 259 HB2 ARG 34 2HB ARG 34 5.305 1.531 -1.249 260 HB3 ARG 34 3HB ARG 34 5.668 3.069 -2.029 261 HG2 ARG 34 2HG ARG 34 5.225 4.282 0.066 262 HG3 ARG 34 3HG ARG 34 4.779 2.760 0.873 263 HD2 ARG 34 2HD ARG 34 7.043 1.862 0.479 264 HD3 ARG 34 3HD ARG 34 7.482 3.328 -0.410 265 HE ARG 34 HE ARG 34 6.612 3.685 2.414 266 HH11 ARG 34 1HH2 ARG 34 9.428 3.533 0.295 267 HH12 ARG 34 2HH2 ARG 34 10.411 4.368 1.478 268 HH21 ARG 34 1HH1 ARG 34 7.868 4.558 3.795 269 HH22 ARG 34 2HH1 ARG 34 9.604 4.759 3.513 270 H MET 35 H MET 35 3.192 0.298 -1.415 271 HA MET 35 HA MET 35 1.347 0.501 0.876 272 HB2 MET 35 2HB MET 35 0.880 -1.051 -1.699 273 HB3 MET 35 3HB MET 35 0.038 -1.425 -0.183 274 HG2 MET 35 2HG MET 35 -0.821 0.879 -0.091 275 HG3 MET 35 3HG MET 35 -0.046 1.234 -1.639 276 HE1 MET 35 3HE MET 35 -3.879 -1.251 -0.921 277 HE2 MET 35 1HE MET 35 -2.331 -1.694 -0.157 278 HE3 MET 35 2HE MET 35 -3.110 -0.146 0.240 279 H ALA 36 H ALA 36 1.128 -1.548 2.034 280 HA ALA 36 HA ALA 36 3.332 -3.447 1.633 281 HB1 ALA 36 1HB ALA 36 3.278 -2.828 4.465 282 HB2 ALA 36 2HB ALA 36 4.630 -2.808 3.323 283 HB3 ALA 36 3HB ALA 36 3.623 -1.364 3.519 284 H ILE 37 H ILE 37 3.118 -5.403 2.960 285 HA ILE 37 HA ILE 37 0.328 -5.899 3.901 286 HB ILE 37 HB ILE 37 1.960 -7.311 1.914 287 HG12 ILE 37 2HG1 ILE 37 -0.976 -7.552 2.693 288 HG13 ILE 37 3HG1 ILE 37 -0.332 -6.223 1.729 289 HG21 ILE 37 1HG2 ILE 37 0.575 -9.036 3.988 290 HG22 ILE 37 2HG2 ILE 37 1.298 -9.568 2.437 291 HG23 ILE 37 3HG2 ILE 37 2.331 -8.927 3.709 292 HD11 ILE 37 3HD1 ILE 37 0.398 -7.797 -0.018 293 HD12 ILE 37 1HD1 ILE 37 -0.291 -9.148 0.910 294 HD13 ILE 37 2HD1 ILE 37 -1.348 -7.871 0.274 295 H MET 38 H MET 38 -0.010 -6.961 5.711 296 HA MET 38 HA MET 38 2.281 -6.981 7.563 297 HB2 MET 38 2HB MET 38 0.026 -5.569 7.720 298 HB3 MET 38 3HB MET 38 -0.652 -7.077 8.291 299 HG2 MET 38 2HG MET 38 -0.123 -6.150 10.290 300 HG3 MET 38 3HG MET 38 1.415 -6.948 9.977 301 HE1 MET 38 3HE MET 38 2.515 -4.854 7.618 302 HE2 MET 38 1HE MET 38 3.607 -3.929 8.684 303 HE3 MET 38 2HE MET 38 3.470 -5.695 8.861 304 H VAL 39 H VAL 39 3.274 -8.867 7.597 305 HA VAL 39 HA VAL 39 1.629 -11.343 8.040 306 HB VAL 39 HB VAL 39 2.605 -11.330 5.833 307 HG11 VAL 39 1HG1 VAL 39 5.340 -11.233 7.167 308 HG12 VAL 39 2HG1 VAL 39 4.998 -11.507 5.448 309 HG13 VAL 39 3HG1 VAL 39 4.611 -9.945 6.181 310 HG21 VAL 39 3HG2 VAL 39 4.025 -13.388 7.540 311 HG22 VAL 39 1HG2 VAL 39 2.318 -13.473 7.034 312 HG23 VAL 39 2HG2 VAL 39 3.608 -13.495 5.825 313 H GLN 40 H GLN 40 2.218 -12.803 9.545 314 HA GLN 40 HA GLN 40 3.855 -11.961 11.784 315 HB2 GLN 40 2HB GLN 40 3.391 -14.291 12.596 316 HB3 GLN 40 3HB GLN 40 1.981 -13.274 12.294 317 HG2 GLN 40 2HG GLN 40 1.552 -14.427 10.146 318 HG3 GLN 40 3HG GLN 40 2.986 -15.423 10.373 319 HE21 GLN 40 2HE2 GLN 40 0.961 -16.987 9.964 320 HE22 GLN 40 1HE2 GLN 40 0.261 -17.607 11.453 321 H SER 41 H SER 41 6.002 -12.212 12.107 322 HA SER 41 HA SER 41 7.523 -13.229 9.852 323 HB2 SER 41 2HB SER 41 8.047 -11.097 11.047 324 HB3 SER 41 3HB SER 41 8.653 -12.092 12.396 325 HG SER 41 HG SER 41 10.125 -11.382 10.544 326 HA PRO 42 HA PRO 42 9.018 -16.988 11.726 327 HB2 PRO 42 2HB PRO 42 11.052 -16.724 9.515 328 HB3 PRO 42 3HB PRO 42 10.135 -18.172 10.027 329 HG2 PRO 42 2HG PRO 42 9.412 -16.803 7.796 330 HG3 PRO 42 3HG PRO 42 8.157 -17.399 8.935 331 HD2 PRO 42 2HD PRO 42 9.332 -14.605 8.745 332 HD3 PRO 42 3HD PRO 42 7.620 -15.109 8.886 333 H MET 43 H MET 43 10.645 -13.947 11.311 334 HA MET 43 HA MET 43 12.892 -14.782 13.090 335 HB2 MET 43 2HB MET 43 14.453 -13.674 11.769 336 HB3 MET 43 3HB MET 43 13.452 -14.632 10.690 337 HG2 MET 43 2HG MET 43 12.162 -12.182 10.637 338 HG3 MET 43 3HG MET 43 13.831 -11.698 10.874 339 HE1 MET 43 3HE MET 43 12.091 -14.655 8.957 340 HE2 MET 43 1HE MET 43 11.144 -13.217 8.526 341 HE3 MET 43 2HE MET 43 12.103 -14.052 7.282 342 H PHE 44 H PHE 44 10.276 -12.920 13.317 343 HA PHE 44 HA PHE 44 11.556 -11.014 15.186 344 HB2 PHE 44 2HB PHE 44 11.391 -9.761 13.107 345 HB3 PHE 44 3HB PHE 44 9.702 -10.197 12.922 346 HD1 PHE 44 HD2 PHE 44 12.050 -8.361 15.204 347 HD2 PHE 44 HD1 PHE 44 7.989 -8.839 13.828 348 HE1 PHE 44 HE2 PHE 44 11.366 -6.360 16.511 349 HE2 PHE 44 HE1 PHE 44 7.313 -6.834 15.125 350 HZ PHE 44 HZ PHE 44 8.999 -5.596 16.474 351 H ASP 45 H ASP 45 10.101 -10.109 16.723 352 HA ASP 45 HA ASP 45 8.256 -12.176 17.696 353 HB2 ASP 45 2HB ASP 45 9.416 -9.705 19.027 354 HB3 ASP 45 3HB ASP 45 8.405 -10.911 19.828 355 H GLY 46 H GLY 46 7.056 -11.049 15.540 356 HA2 GLY 46 2HA GLY 46 4.502 -10.236 16.279 357 HA3 GLY 46 3HA GLY 46 5.430 -8.742 16.102 358 H LYS 47 H LYS 47 4.098 -8.147 14.354 359 HA LYS 47 HA LYS 47 4.274 -9.728 11.852 360 HB2 LYS 47 2HB LYS 47 2.556 -7.295 12.402 361 HB3 LYS 47 3HB LYS 47 2.462 -8.412 11.045 362 HG2 LYS 47 2HG LYS 47 2.116 -9.786 13.656 363 HG3 LYS 47 3HG LYS 47 0.965 -8.483 13.435 364 HD2 LYS 47 2HD LYS 47 1.417 -10.801 11.528 365 HD3 LYS 47 3HD LYS 47 0.120 -10.706 12.707 366 HE2 LYS 47 2HE LYS 47 0.498 -8.752 10.399 367 HE3 LYS 47 3HE LYS 47 -0.528 -10.179 10.330 368 HZ1 LYS 47 3HZ LYS 47 -0.937 -7.891 12.202 369 HZ2 LYS 47 1HZ LYS 47 -1.833 -8.227 10.873 370 HZ3 LYS 47 2HZ LYS 47 -1.856 -9.250 12.149 371 H VAL 48 H VAL 48 5.033 -8.865 9.944 372 HA VAL 48 HA VAL 48 6.602 -6.339 10.112 373 HB VAL 48 HB VAL 48 8.355 -7.389 8.736 374 HG11 VAL 48 1HG1 VAL 48 8.588 -7.194 11.198 375 HG12 VAL 48 2HG1 VAL 48 7.881 -8.807 11.394 376 HG13 VAL 48 3HG1 VAL 48 9.435 -8.611 10.562 377 HG21 VAL 48 3HG2 VAL 48 8.567 -9.832 8.606 378 HG22 VAL 48 1HG2 VAL 48 6.959 -10.031 9.326 379 HG23 VAL 48 2HG2 VAL 48 7.136 -9.274 7.732 380 HA PRO 49 HA PRO 49 4.556 -5.448 6.315 381 HB2 PRO 49 2HB PRO 49 5.888 -3.244 5.423 382 HB3 PRO 49 3HB PRO 49 4.904 -3.239 6.915 383 HG2 PRO 49 2HG PRO 49 7.909 -3.583 6.659 384 HG3 PRO 49 3HG PRO 49 7.007 -2.514 7.778 385 HD2 PRO 49 2HD PRO 49 7.955 -4.988 8.506 386 HD3 PRO 49 3HD PRO 49 6.446 -4.302 9.177 387 H HIS 50 H HIS 50 4.576 -6.371 4.324 388 HA HIS 50 HA HIS 50 7.128 -6.692 2.781 389 HB2 HIS 50 2HB HIS 50 4.376 -7.968 2.600 390 HB3 HIS 50 3HB HIS 50 5.513 -8.015 1.261 391 HD2 HIS 50 HD2 HIS 50 6.774 -8.424 4.873 392 HE1 HIS 50 HE1 HIS 50 7.077 -12.244 3.006 393 HE2 HIS 50 HE2 HIS 50 7.702 -10.892 5.074 394 H TRP 51 H TRP 51 7.594 -4.821 1.776 395 HA TRP 51 HA TRP 51 5.512 -2.933 1.071 396 HB2 TRP 51 2HB TRP 51 8.519 -2.903 0.659 397 HB3 TRP 51 3HB TRP 51 7.424 -1.564 0.332 398 HD1 TRP 51 HD1 TRP 51 9.285 -3.224 3.139 399 HE1 TRP 51 HE1 TRP 51 8.928 -1.921 5.321 400 HE3 TRP 51 HE3 TRP 51 5.565 -0.060 1.583 401 HZ2 TRP 51 HZ2 TRP 51 7.144 0.121 6.315 402 HZ3 TRP 51 HZ3 TRP 51 4.524 1.525 3.191 403 HH2 TRP 51 HH2 TRP 51 5.301 1.608 5.552 404 H TYR 52 H TYR 52 4.873 -2.241 -0.927 405 HA TYR 52 HA TYR 52 6.345 -3.055 -3.307 406 HB2 TYR 52 2HB TYR 52 3.479 -3.544 -3.742 407 HB3 TYR 52 3HB TYR 52 4.926 -4.386 -4.305 408 HD1 TYR 52 HD1 TYR 52 2.728 -4.138 -1.242 409 HD2 TYR 52 HD2 TYR 52 5.391 -6.518 -3.647 410 HE1 TYR 52 HE1 TYR 52 2.078 -6.187 0.049 411 HE2 TYR 52 HE2 TYR 52 4.697 -8.560 -2.387 412 HH TYR 52 HH TYR 52 2.360 -8.469 0.280 413 H HIS 53 H HIS 53 5.688 -1.818 -5.201 414 HA HIS 53 HA HIS 53 4.958 0.941 -4.783 415 HB2 HIS 53 2HB HIS 53 4.634 -0.757 -7.294 416 HB3 HIS 53 3HB HIS 53 4.551 0.982 -7.223 417 HD2 HIS 53 HD2 HIS 53 6.826 2.338 -6.529 418 HE1 HIS 53 HE1 HIS 53 9.473 -0.626 -8.061 419 HE2 HIS 53 HE2 HIS 53 9.267 1.803 -7.357 420 H PHE 54 H PHE 54 2.914 2.040 -5.395 421 HA PHE 54 HA PHE 54 0.605 0.989 -4.240 422 HB2 PHE 54 2HB PHE 54 0.680 3.303 -4.680 423 HB3 PHE 54 3HB PHE 54 0.989 3.072 -6.396 424 HD1 PHE 54 HD1 PHE 54 -1.688 2.399 -3.791 425 HD2 PHE 54 HD2 PHE 54 -0.782 3.157 -7.945 426 HE1 PHE 54 HE1 PHE 54 -4.109 2.406 -4.331 427 HE2 PHE 54 HE2 PHE 54 -3.211 3.189 -8.461 428 HZ PHE 54 HZ PHE 54 -4.870 2.784 -6.663 429 H SER 55 H SER 55 1.556 0.707 -7.729 430 HA SER 55 HA SER 55 -0.888 -0.675 -8.504 431 HB2 SER 55 2HB SER 55 0.338 -0.968 -10.652 432 HB3 SER 55 3HB SER 55 0.206 0.718 -10.113 433 HG SER 55 HG SER 55 2.336 0.252 -10.793 434 H CYS 56 HN CYS 56 2.433 -1.622 -7.611 435 HA CYS 56 HA CYS 56 2.251 -4.326 -8.305 436 HB2 CYS 56 2HB CYS 56 3.927 -2.874 -6.269 437 HB3 CYS 56 3HB CYS 56 4.136 -4.578 -6.661 438 H PHE 57 H PHE 57 1.180 -2.760 -5.283 439 HA PHE 57 HA PHE 57 0.455 -5.092 -3.824 440 HB2 PHE 57 2HB PHE 57 0.363 -2.797 -2.969 441 HB3 PHE 57 3HB PHE 57 -1.006 -2.435 -4.018 442 HD1 PHE 57 HD2 PHE 57 -3.184 -3.767 -3.715 443 HD2 PHE 57 HD1 PHE 57 0.020 -3.820 -0.825 444 HE1 PHE 57 HE2 PHE 57 -4.718 -4.732 -2.037 445 HE2 PHE 57 HE1 PHE 57 -1.568 -4.641 0.896 446 HZ PHE 57 HZ PHE 57 -3.925 -5.157 0.276 447 H TRP 58 H TRP 58 -1.457 -3.340 -6.338 448 HA TRP 58 HA TRP 58 -3.604 -5.277 -6.258 449 HB2 TRP 58 2HB TRP 58 -3.051 -3.197 -8.372 450 HB3 TRP 58 3HB TRP 58 -4.573 -3.994 -8.027 451 HD1 TRP 58 HD1 TRP 58 -2.675 -0.975 -7.324 452 HE1 TRP 58 HE1 TRP 58 -3.510 0.377 -5.338 453 HE3 TRP 58 HE3 TRP 58 -6.112 -4.316 -5.447 454 HZ2 TRP 58 HZ2 TRP 58 -5.499 0.099 -3.230 455 HZ3 TRP 58 HZ3 TRP 58 -7.476 -3.705 -3.492 456 HH2 TRP 58 HH2 TRP 58 -7.183 -1.495 -2.395 457 H LYS 59 H LYS 59 -0.557 -5.323 -7.899 458 HA LYS 59 HA LYS 59 -1.380 -7.448 -9.806 459 HB2 LYS 59 2HB LYS 59 1.333 -6.261 -9.136 460 HB3 LYS 59 3HB LYS 59 1.066 -7.541 -10.321 461 HG2 LYS 59 2HG LYS 59 -0.376 -6.104 -11.670 462 HG3 LYS 59 3HG LYS 59 -0.207 -4.786 -10.514 463 HD2 LYS 59 2HD LYS 59 2.073 -5.985 -12.152 464 HD3 LYS 59 3HD LYS 59 1.222 -4.467 -12.503 465 HE2 LYS 59 2HE LYS 59 1.893 -3.618 -10.234 466 HE3 LYS 59 3HE LYS 59 2.840 -5.088 -9.998 467 HZ1 LYS 59 3HZ LYS 59 4.208 -4.428 -11.899 468 HZ2 LYS 59 1HZ LYS 59 3.368 -3.021 -12.045 469 HZ3 LYS 59 2HZ LYS 59 4.225 -3.335 -10.674 470 H VAL 60 H VAL 60 -0.092 -7.216 -6.552 471 HA VAL 60 HA VAL 60 0.276 -10.126 -6.251 472 HB VAL 60 HB VAL 60 0.060 -7.869 -4.223 473 HG11 VAL 60 1HG1 VAL 60 0.699 -10.809 -3.760 474 HG12 VAL 60 2HG1 VAL 60 0.952 -9.502 -2.580 475 HG13 VAL 60 3HG1 VAL 60 -0.682 -9.900 -3.105 476 HG21 VAL 60 3HG2 VAL 60 2.120 -7.907 -5.656 477 HG22 VAL 60 1HG2 VAL 60 2.437 -8.193 -3.949 478 HG23 VAL 60 2HG2 VAL 60 2.440 -9.560 -5.082 479 H GLY 61 H GLY 61 -2.340 -7.765 -5.800 480 HA2 GLY 61 2HA GLY 61 -4.532 -8.128 -6.392 481 HA3 GLY 61 3HA GLY 61 -4.178 -9.835 -6.646 482 H HIS 62 H HIS 62 -3.501 -8.519 -3.472 483 HA HIS 62 HA HIS 62 -5.536 -10.171 -2.175 484 HB2 HIS 62 2HB HIS 62 -3.548 -8.099 -1.197 485 HB3 HIS 62 3HB HIS 62 -4.796 -8.755 -0.155 486 HD2 HIS 62 HD2 HIS 62 -2.842 -11.021 -2.653 487 HE1 HIS 62 HE1 HIS 62 -1.768 -12.206 1.296 488 HE2 HIS 62 HE2 HIS 62 -1.527 -12.753 -1.180 489 H SER 63 H SER 63 -7.560 -9.622 -1.490 490 HA SER 63 HA SER 63 -8.687 -7.124 -2.546 491 HB2 SER 63 2HB SER 63 -10.842 -8.070 -2.029 492 HB3 SER 63 3HB SER 63 -9.855 -9.258 -2.893 493 HG SER 63 HG SER 63 -10.843 -10.287 -1.183 494 H ILE 64 H ILE 64 -9.860 -5.621 -1.465 495 HA ILE 64 HA ILE 64 -9.505 -5.416 1.486 496 HB ILE 64 HB ILE 64 -9.137 -3.084 -0.395 497 HG12 ILE 64 2HG1 ILE 64 -6.933 -4.858 0.672 498 HG13 ILE 64 3HG1 ILE 64 -7.297 -4.434 -0.999 499 HG21 ILE 64 1HG2 ILE 64 -8.226 -1.998 1.633 500 HG22 ILE 64 2HG2 ILE 64 -9.836 -2.644 1.984 501 HG23 ILE 64 3HG2 ILE 64 -8.391 -3.510 2.540 502 HD11 ILE 64 3HD1 ILE 64 -6.820 -1.973 -0.270 503 HD12 ILE 64 1HD1 ILE 64 -6.017 -2.730 1.127 504 HD13 ILE 64 2HD1 ILE 64 -5.463 -3.073 -0.510 505 H ARG 65 H ARG 65 -11.309 -4.832 2.487 506 HA ARG 65 HA ARG 65 -13.748 -4.188 0.842 507 HB2 ARG 65 2HB ARG 65 -14.919 -5.871 2.409 508 HB3 ARG 65 3HB ARG 65 -14.023 -6.460 1.027 509 HG2 ARG 65 2HG ARG 65 -12.670 -6.331 3.730 510 HG3 ARG 65 3HG ARG 65 -13.784 -7.633 3.378 511 HD2 ARG 65 2HD ARG 65 -12.392 -8.678 1.917 512 HD3 ARG 65 3HD ARG 65 -11.739 -7.184 1.249 513 HE ARG 65 HE ARG 65 -10.641 -7.108 3.725 514 HH11 ARG 65 1HH2 ARG 65 -10.383 -9.608 1.244 515 HH12 ARG 65 2HH2 ARG 65 -9.099 -10.384 2.109 516 HH21 ARG 65 1HH1 ARG 65 -9.010 -7.961 4.562 517 HH22 ARG 65 2HH1 ARG 65 -8.244 -9.428 3.941 518 H HIS 66 H HIS 66 -12.021 -3.590 3.752 519 HA HIS 66 HA HIS 66 -13.779 -1.263 4.116 520 HB2 HIS 66 2HB HIS 66 -13.739 -1.416 6.568 521 HB3 HIS 66 3HB HIS 66 -14.782 -2.550 5.743 522 HD2 HIS 66 HD2 HIS 66 -12.891 -5.035 5.311 523 HE1 HIS 66 HE1 HIS 66 -12.560 -5.073 9.525 524 HE2 HIS 66 HE2 HIS 66 -12.267 -6.448 7.421 525 HA PRO 67 HA PRO 67 -9.304 -0.904 3.456 526 HB2 PRO 67 2HB PRO 67 -9.304 1.450 1.909 527 HB3 PRO 67 3HB PRO 67 -9.514 -0.200 1.261 528 HG2 PRO 67 2HG PRO 67 -11.667 1.760 2.070 529 HG3 PRO 67 3HG PRO 67 -11.546 0.808 0.548 530 HD2 PRO 67 2HD PRO 67 -13.123 -0.014 2.535 531 HD3 PRO 67 3HD PRO 67 -12.067 -1.217 1.728 532 H ASP 68 H ASP 68 -11.291 1.875 4.579 533 HA ASP 68 HA ASP 68 -8.970 3.226 5.670 534 HB2 ASP 68 2HB ASP 68 -10.606 4.747 6.706 535 HB3 ASP 68 3HB ASP 68 -10.842 4.535 4.978 536 H VAL 69 H VAL 69 -10.559 0.458 6.666 537 HA VAL 69 HA VAL 69 -9.744 0.733 9.506 538 HB VAL 69 HB VAL 69 -11.264 -1.562 8.245 539 HG11 VAL 69 1HG1 VAL 69 -10.976 -0.653 11.136 540 HG12 VAL 69 2HG1 VAL 69 -11.975 -2.008 10.563 541 HG13 VAL 69 3HG1 VAL 69 -10.223 -2.090 10.399 542 HG21 VAL 69 3HG2 VAL 69 -12.431 0.890 9.619 543 HG22 VAL 69 1HG2 VAL 69 -12.668 0.402 7.922 544 HG23 VAL 69 2HG2 VAL 69 -13.330 -0.595 9.214 545 H GLU 70 H GLU 70 -9.320 -1.316 6.611 546 HA GLU 70 HA GLU 70 -7.371 -3.071 7.948 547 HB2 GLU 70 2HB GLU 70 -8.279 -2.944 5.025 548 HB3 GLU 70 3HB GLU 70 -7.361 -4.255 5.768 549 HG2 GLU 70 2HG GLU 70 -9.268 -4.840 7.187 550 HG3 GLU 70 3HG GLU 70 -10.213 -3.518 6.505 551 H VAL 71 H VAL 71 -7.170 -0.455 5.605 552 HA VAL 71 HA VAL 71 -4.244 -0.832 5.128 553 HB VAL 71 HB VAL 71 -6.025 1.302 3.982 554 HG11 VAL 71 1HG1 VAL 71 -3.348 0.071 3.208 555 HG12 VAL 71 2HG1 VAL 71 -4.194 1.442 2.438 556 HG13 VAL 71 3HG1 VAL 71 -3.543 1.597 4.094 557 HG21 VAL 71 3HG2 VAL 71 -6.892 -0.902 3.247 558 HG22 VAL 71 1HG2 VAL 71 -5.968 -0.154 1.936 559 HG23 VAL 71 2HG2 VAL 71 -5.242 -1.455 2.917 560 H ASP 72 H ASP 72 -3.298 -0.482 6.967 561 HA ASP 72 HA ASP 72 -3.643 1.812 8.681 562 HB2 ASP 72 2HB ASP 72 -2.688 -0.292 9.367 563 HB3 ASP 72 3HB ASP 72 -1.391 -0.163 8.182 564 H GLY 73 H GLY 73 -2.522 3.752 8.690 565 HA2 GLY 73 2HA GLY 73 -1.165 5.503 7.948 566 HA3 GLY 73 3HA GLY 73 -0.529 4.477 6.665 567 H PHE 74 H PHE 74 -3.755 4.116 6.230 568 HA PHE 74 HA PHE 74 -4.128 5.824 4.004 569 HB2 PHE 74 2HB PHE 74 -5.424 3.805 4.483 570 HB3 PHE 74 3HB PHE 74 -6.096 4.537 5.937 571 HD1 PHE 74 HD2 PHE 74 -6.169 4.502 2.236 572 HD2 PHE 74 HD1 PHE 74 -7.924 6.148 5.820 573 HE1 PHE 74 HE2 PHE 74 -8.100 5.344 0.917 574 HE2 PHE 74 HE1 PHE 74 -9.849 6.989 4.485 575 HZ PHE 74 HZ PHE 74 -9.928 6.595 2.043 576 H SER 75 H SER 75 -4.601 6.485 7.438 577 HA SER 75 HA SER 75 -6.054 8.950 7.274 578 HB2 SER 75 2HB SER 75 -5.027 9.274 9.576 579 HB3 SER 75 3HB SER 75 -5.986 7.796 9.347 580 HG SER 75 HG SER 75 -3.964 7.410 10.412 581 H GLU 76 H GLU 76 -2.684 8.235 6.599 582 HA GLU 76 HA GLU 76 -1.863 11.054 6.955 583 HB2 GLU 76 2HB GLU 76 -0.207 8.632 6.156 584 HB3 GLU 76 3HB GLU 76 0.391 10.246 6.543 585 HG2 GLU 76 2HG GLU 76 -0.644 10.002 8.846 586 HG3 GLU 76 3HG GLU 76 -0.991 8.315 8.453 587 H LEU 77 H LEU 77 -3.206 9.230 4.450 588 HA LEU 77 HA LEU 77 -1.890 10.546 2.187 589 HB2 LEU 77 2HB LEU 77 -4.471 8.971 2.419 590 HB3 LEU 77 3HB LEU 77 -3.804 9.571 0.909 591 HG LEU 77 HG LEU 77 -2.520 7.474 2.715 592 HD11 LEU 77 1HD1 LEU 77 -4.534 6.694 1.536 593 HD12 LEU 77 2HD1 LEU 77 -3.931 7.355 0.003 594 HD13 LEU 77 3HD1 LEU 77 -3.100 5.997 0.765 595 HD21 LEU 77 3HD2 LEU 77 -1.639 8.489 -0.016 596 HD22 LEU 77 1HD2 LEU 77 -0.777 8.745 1.519 597 HD23 LEU 77 2HD2 LEU 77 -0.943 7.115 0.876 598 H ARG 78 H ARG 78 -2.880 12.067 0.773 599 HA ARG 78 HA ARG 78 -4.757 13.995 1.997 600 HB2 ARG 78 2HB ARG 78 -3.327 13.816 -0.687 601 HB3 ARG 78 3HB ARG 78 -4.659 14.936 -0.477 602 HG2 ARG 78 2HG ARG 78 -2.200 14.925 1.323 603 HG3 ARG 78 3HG ARG 78 -2.403 15.948 -0.111 604 HD2 ARG 78 2HD ARG 78 -4.480 16.912 0.876 605 HD3 ARG 78 3HD ARG 78 -4.216 15.965 2.346 606 HE ARG 78 HE ARG 78 -1.838 17.424 1.838 607 HH11 ARG 78 1HH2 ARG 78 -5.130 18.169 2.786 608 HH12 ARG 78 2HH2 ARG 78 -4.654 19.621 3.624 609 HH21 ARG 78 1HH1 ARG 78 -1.305 19.288 2.919 610 HH22 ARG 78 2HH1 ARG 78 -2.544 20.232 3.692 611 H TRP 79 H TRP 79 -6.726 14.612 1.014 612 HA TRP 79 HA TRP 79 -8.575 12.573 0.912 613 HB2 TRP 79 2HB TRP 79 -9.647 14.493 1.333 614 HB3 TRP 79 3HB TRP 79 -8.551 15.458 0.364 615 HD1 TRP 79 HD1 TRP 79 -11.868 13.596 0.081 616 HE1 TRP 79 HE1 TRP 79 -13.019 14.246 -2.125 617 HE3 TRP 79 HE3 TRP 79 -8.066 16.259 -2.035 618 HZ2 TRP 79 HZ2 TRP 79 -12.369 15.771 -4.505 619 HZ3 TRP 79 HZ3 TRP 79 -8.320 17.266 -4.289 620 HH2 TRP 79 HH2 TRP 79 -10.471 17.037 -5.534 621 H ASP 80 H ASP 80 -6.872 13.965 -1.902 622 HA ASP 80 HA ASP 80 -8.487 12.644 -3.848 623 HB2 ASP 80 2HB ASP 80 -7.114 14.684 -4.250 624 HB3 ASP 80 3HB ASP 80 -5.663 13.680 -4.182 625 H ASP 81 H ASP 81 -5.687 11.476 -2.025 626 HA ASP 81 HA ASP 81 -5.485 9.099 -3.753 627 HB2 ASP 81 2HB ASP 81 -3.773 9.958 -1.434 628 HB3 ASP 81 3HB ASP 81 -3.672 8.392 -2.263 629 H GLN 82 H GLN 82 -6.687 10.121 -0.543 630 HA GLN 82 HA GLN 82 -7.448 7.535 0.374 631 HB2 GLN 82 2HB GLN 82 -8.673 10.289 0.765 632 HB3 GLN 82 3HB GLN 82 -9.337 8.843 1.525 633 HG2 GLN 82 2HG GLN 82 -7.150 8.371 2.586 634 HG3 GLN 82 3HG GLN 82 -6.483 9.840 1.872 635 HE21 GLN 82 2HE2 GLN 82 -6.494 9.334 4.661 636 HE22 GLN 82 1HE2 GLN 82 -7.529 10.566 5.395 637 H GLN 83 H GLN 83 -9.311 9.839 -1.733 638 HA GLN 83 HA GLN 83 -11.392 7.915 -2.149 639 HB2 GLN 83 2HB GLN 83 -12.338 9.389 -3.724 640 HB3 GLN 83 3HB GLN 83 -11.710 10.333 -2.374 641 HG2 GLN 83 2HG GLN 83 -9.700 10.873 -3.775 642 HG3 GLN 83 3HG GLN 83 -10.444 10.050 -5.141 643 HE21 GLN 83 2HE2 GLN 83 -9.793 12.676 -5.651 644 HE22 GLN 83 1HE2 GLN 83 -11.237 13.663 -5.531 645 H LYS 84 H LYS 84 -8.265 8.234 -3.888 646 HA LYS 84 HA LYS 84 -9.219 6.549 -6.073 647 HB2 LYS 84 2HB LYS 84 -7.259 6.930 -7.139 648 HB3 LYS 84 3HB LYS 84 -7.495 8.430 -6.245 649 HG2 LYS 84 2HG LYS 84 -5.323 8.192 -5.885 650 HG3 LYS 84 3HG LYS 84 -5.863 7.210 -4.518 651 HD2 LYS 84 2HD LYS 84 -5.516 5.172 -5.730 652 HD3 LYS 84 3HD LYS 84 -5.158 6.042 -7.227 653 HE2 LYS 84 2HE LYS 84 -3.488 6.106 -4.673 654 HE3 LYS 84 3HE LYS 84 -3.115 5.189 -6.132 655 HZ1 LYS 84 3HZ LYS 84 -3.111 7.439 -7.301 656 HZ2 LYS 84 1HZ LYS 84 -3.078 8.131 -5.800 657 HZ3 LYS 84 2HZ LYS 84 -1.866 7.165 -6.280 658 H VAL 85 H VAL 85 -7.340 6.138 -3.091 659 HA VAL 85 HA VAL 85 -6.714 3.351 -3.639 660 HB VAL 85 HB VAL 85 -6.756 4.981 -1.070 661 HG11 VAL 85 1HG1 VAL 85 -5.759 2.123 -1.445 662 HG12 VAL 85 2HG1 VAL 85 -5.414 3.153 -0.041 663 HG13 VAL 85 3HG1 VAL 85 -7.075 2.659 -0.372 664 HG21 VAL 85 3HG2 VAL 85 -4.402 3.844 -2.640 665 HG22 VAL 85 1HG2 VAL 85 -5.021 5.482 -2.891 666 HG23 VAL 85 2HG2 VAL 85 -4.360 5.019 -1.315 667 H LYS 86 H LYS 86 -9.399 4.937 -1.799 668 HA LYS 86 HA LYS 86 -10.752 2.437 -1.250 669 HB2 LYS 86 2HB LYS 86 -11.835 5.286 -1.392 670 HB3 LYS 86 3HB LYS 86 -12.768 3.864 -0.902 671 HG2 LYS 86 2HG LYS 86 -10.926 3.423 0.841 672 HG3 LYS 86 3HG LYS 86 -10.296 4.995 0.453 673 HD2 LYS 86 2HD LYS 86 -11.635 5.054 2.490 674 HD3 LYS 86 3HD LYS 86 -12.375 6.073 1.238 675 HE2 LYS 86 2HE LYS 86 -14.056 4.432 0.790 676 HE3 LYS 86 3HE LYS 86 -13.189 3.193 1.713 677 HZ1 LYS 86 3HZ LYS 86 -13.720 4.284 3.743 678 HZ2 LYS 86 1HZ LYS 86 -14.327 5.618 2.983 679 HZ3 LYS 86 2HZ LYS 86 -15.113 4.187 2.913 680 H LYS 87 H LYS 87 -11.148 4.748 -3.993 681 HA LYS 87 HA LYS 87 -13.151 3.185 -5.323 682 HB2 LYS 87 2HB LYS 87 -12.669 5.519 -5.857 683 HB3 LYS 87 3HB LYS 87 -11.087 5.098 -6.512 684 HG2 LYS 87 2HG LYS 87 -13.591 3.821 -7.656 685 HG3 LYS 87 3HG LYS 87 -13.211 5.498 -8.042 686 HD2 LYS 87 2HD LYS 87 -11.016 4.851 -8.956 687 HD3 LYS 87 3HD LYS 87 -11.362 3.142 -8.624 688 HE2 LYS 87 2HE LYS 87 -13.357 3.243 -10.081 689 HE3 LYS 87 3HE LYS 87 -13.054 4.957 -10.396 690 HZ1 LYS 87 3HZ LYS 87 -12.183 3.568 -12.182 691 HZ2 LYS 87 1HZ LYS 87 -10.946 4.331 -11.443 692 HZ3 LYS 87 2HZ LYS 87 -11.218 2.743 -11.156 693 H THR 88 H THR 88 -9.579 2.990 -5.566 694 HA THR 88 HA THR 88 -9.521 0.928 -7.513 695 HB THR 88 HB THR 88 -7.476 1.562 -5.364 696 HG1 THR 88 1HG THR 88 -7.790 3.280 -6.697 697 HG21 THR 88 1HG2 THR 88 -7.302 0.022 -7.980 698 HG22 THR 88 2HG2 THR 88 -5.911 0.534 -6.994 699 HG23 THR 88 3HG2 THR 88 -7.058 -0.645 -6.351 700 H ALA 89 H ALA 89 -9.865 0.709 -3.950 701 HA ALA 89 HA ALA 89 -9.602 -2.167 -3.833 702 HB1 ALA 89 1HB ALA 89 -10.832 -0.122 -1.938 703 HB2 ALA 89 2HB ALA 89 -10.526 -1.827 -1.566 704 HB3 ALA 89 3HB ALA 89 -9.164 -0.736 -1.913 705 H GLU 90 H GLU 90 -12.366 0.120 -4.143 706 HA GLU 90 HA GLU 90 -14.383 -1.928 -4.224 707 HB2 GLU 90 2HB GLU 90 -14.366 0.929 -5.278 708 HB3 GLU 90 3HB GLU 90 -15.780 -0.128 -5.326 709 HG2 GLU 90 2HG GLU 90 -15.677 -0.383 -2.857 710 HG3 GLU 90 3HG GLU 90 -14.323 0.743 -2.803 711 H ALA 91 H ALA 91 -12.397 -0.443 -6.727 712 HA ALA 91 HA ALA 91 -13.646 -1.739 -8.977 713 HB1 ALA 91 1HB ALA 91 -10.991 -0.278 -8.619 714 HB2 ALA 91 2HB ALA 91 -11.741 -0.686 -10.181 715 HB3 ALA 91 3HB ALA 91 -12.536 0.456 -9.074 716 H GLY 92 H GLY 92 -11.548 -3.017 -6.617 717 HA2 GLY 92 2HA GLY 92 -10.616 -5.112 -6.425 718 HA3 GLY 92 3HA GLY 92 -11.206 -5.527 -8.037 719 H GLY 93 H GLY 93 -9.088 -2.721 -7.492 720 HA2 GLY 93 2HA GLY 93 -6.725 -2.698 -7.551 721 HA3 GLY 93 3HA GLY 93 -6.698 -4.197 -8.472 722 H VAL 94 H VAL 94 -5.386 -1.675 -8.949 723 HA VAL 94 HA VAL 94 -6.108 -1.353 -11.799 724 HB VAL 94 HB VAL 94 -7.167 0.492 -10.336 725 HG11 VAL 94 1HG1 VAL 94 -4.390 1.732 -10.495 726 HG12 VAL 94 2HG1 VAL 94 -5.853 2.392 -9.737 727 HG13 VAL 94 3HG1 VAL 94 -5.040 0.988 -9.027 728 HG21 VAL 94 3HG2 VAL 94 -7.035 0.562 -12.796 729 HG22 VAL 94 1HG2 VAL 94 -6.892 2.161 -12.051 730 HG23 VAL 94 2HG2 VAL 94 -5.447 1.359 -12.686 731 H THR 95 H THR 95 -4.439 -0.623 -13.154 732 HA THR 95 HA THR 95 -1.675 -0.462 -12.073 733 HB THR 95 HB THR 95 -0.869 -1.869 -13.949 734 HG1 THR 95 1HG THR 95 -2.379 -3.159 -15.031 735 HG21 THR 95 1HG2 THR 95 -2.879 -3.363 -12.213 736 HG22 THR 95 2HG2 THR 95 -1.439 -4.028 -13.013 737 HG23 THR 95 3HG2 THR 95 -1.259 -2.861 -11.688 738 H GLY 96 H GLY 96 -0.116 0.386 -13.736 739 HA2 GLY 96 2HA GLY 96 -1.049 1.900 -16.004 740 HA3 GLY 96 3HA GLY 96 -0.873 2.936 -14.587 741 H LYS 97 H LYS 97 0.688 4.009 -16.001 742 HA LYS 97 HA LYS 97 3.181 2.795 -16.809 743 HB2 LYS 97 2HB LYS 97 2.376 5.718 -16.486 744 HB3 LYS 97 3HB LYS 97 3.882 5.164 -17.226 745 HG2 LYS 97 2HG LYS 97 2.593 3.927 -18.956 746 HG3 LYS 97 3HG LYS 97 1.078 4.525 -18.251 747 HD2 LYS 97 2HD LYS 97 1.795 6.862 -18.685 748 HD3 LYS 97 3HD LYS 97 3.304 6.262 -19.406 749 HE2 LYS 97 2HE LYS 97 1.990 5.021 -21.113 750 HE3 LYS 97 3HE LYS 97 0.488 5.614 -20.393 751 HZ1 LYS 97 3HZ LYS 97 2.585 7.333 -21.612 752 HZ2 LYS 97 1HZ LYS 97 1.152 6.968 -22.297 753 HZ3 LYS 97 2HZ LYS 97 1.197 7.881 -20.947 754 H GLY 98 H GLY 98 5.295 3.317 -16.112 755 HA2 GLY 98 2HA GLY 98 5.748 3.051 -13.268 756 HA3 GLY 98 3HA GLY 98 6.968 3.229 -14.524 757 H GLN 99 H GLN 99 7.755 4.403 -12.440 758 HA GLN 99 HA GLN 99 7.342 7.335 -12.783 759 HB2 GLN 99 2HB GLN 99 7.473 5.810 -10.151 760 HB3 GLN 99 3HB GLN 99 7.599 7.560 -10.285 761 HG2 GLN 99 2HG GLN 99 5.149 5.965 -11.165 762 HG3 GLN 99 3HG GLN 99 5.344 6.726 -9.596 763 HE21 GLN 99 2HE2 GLN 99 4.996 7.442 -13.103 764 HE22 GLN 99 1HE2 GLN 99 4.472 9.105 -12.826 765 H ASP 100 H ASP 100 9.132 8.635 -12.034 766 HA ASP 100 HA ASP 100 11.648 7.536 -12.957 767 HB2 ASP 100 2HB ASP 100 10.852 9.797 -13.524 768 HB3 ASP 100 3HB ASP 100 10.943 10.265 -11.823 769 H GLY 101 H GLY 101 13.616 7.384 -11.892 770 HA2 GLY 101 2HA GLY 101 15.139 7.225 -10.162 771 HA3 GLY 101 3HA GLY 101 13.944 7.830 -9.024 772 H ILE 102 H ILE 102 15.647 5.916 -8.238 773 HA ILE 102 HA ILE 102 13.895 3.664 -7.568 774 HB ILE 102 HB ILE 102 15.020 2.934 -9.637 775 HG12 ILE 102 2HG1 ILE 102 15.911 1.396 -7.166 776 HG13 ILE 102 3HG1 ILE 102 14.311 1.338 -7.918 777 HG21 ILE 102 1HG2 ILE 102 17.165 4.226 -9.354 778 HG22 ILE 102 2HG2 ILE 102 17.668 3.037 -8.133 779 HG23 ILE 102 3HG2 ILE 102 17.390 2.544 -9.815 780 HD11 ILE 102 3HD1 ILE 102 16.912 0.383 -9.173 781 HD12 ILE 102 1HD1 ILE 102 15.570 -0.608 -8.590 782 HD13 ILE 102 2HD1 ILE 102 15.337 0.439 -10.005 783 H GLY 103 H GLY 103 14.235 2.918 -5.541 784 HA2 GLY 103 2HA GLY 103 14.990 2.831 -3.368 785 HA3 GLY 103 3HA GLY 103 16.613 2.916 -4.046 786 H SER 104 H SER 104 17.204 4.028 -2.076 787 HA SER 104 HA SER 104 16.161 6.677 -1.455 788 HB2 SER 104 2HB SER 104 18.038 6.672 0.199 789 HB3 SER 104 3HB SER 104 16.949 5.279 0.332 790 HG SER 104 HG SER 104 19.240 4.740 0.378 791 H LYS 105 H LYS 105 18.989 5.438 -3.189 792 HA LYS 105 HA LYS 105 19.380 8.005 -4.540 793 HB2 LYS 105 2HB LYS 105 20.778 7.838 -2.254 794 HB3 LYS 105 3HB LYS 105 21.865 6.861 -3.241 795 HG2 LYS 105 2HG LYS 105 22.024 8.783 -4.866 796 HG3 LYS 105 3HG LYS 105 20.920 9.710 -3.829 797 HD2 LYS 105 2HD LYS 105 22.592 9.456 -1.943 798 HD3 LYS 105 3HD LYS 105 23.696 8.686 -3.103 799 HE2 LYS 105 2HE LYS 105 23.477 10.781 -4.539 800 HE3 LYS 105 3HE LYS 105 22.567 11.524 -3.215 801 HZ1 LYS 105 3HZ LYS 105 24.555 11.144 -1.795 802 HZ2 LYS 105 1HZ LYS 105 25.361 10.526 -3.092 803 HZ3 LYS 105 2HZ LYS 105 24.914 12.102 -3.072 804 H ALA 106 H ALA 106 20.768 7.834 -6.400 805 HA ALA 106 HA ALA 106 21.106 5.058 -7.446 806 HB1 ALA 106 1HB ALA 106 18.976 6.086 -8.173 807 HB2 ALA 106 2HB ALA 106 19.881 7.444 -8.883 808 HB3 ALA 106 3HB ALA 106 20.076 5.800 -9.531 809 H GLU 107 H GLU 107 23.283 6.513 -6.349 810 HA GLU 107 HA GLU 107 24.909 7.495 -8.568 811 HB2 GLU 107 2HB GLU 107 25.638 6.706 -5.720 812 HB3 GLU 107 3HB GLU 107 26.798 7.282 -6.920 813 HG2 GLU 107 2HG GLU 107 25.377 9.370 -7.186 814 HG3 GLU 107 3HG GLU 107 24.448 8.833 -5.784 815 H LYS 108 H LYS 108 26.784 6.530 -9.418 816 HA LYS 108 HA LYS 108 26.546 3.675 -10.019 817 HB2 LYS 108 2HB LYS 108 27.046 5.399 -11.737 818 HB3 LYS 108 3HB LYS 108 28.585 5.744 -10.932 819 HG2 LYS 108 2HG LYS 108 29.338 3.420 -11.359 820 HG3 LYS 108 3HG LYS 108 27.773 3.047 -12.113 821 HD2 LYS 108 2HD LYS 108 28.205 4.758 -13.858 822 HD3 LYS 108 3HD LYS 108 29.765 5.143 -13.096 823 HE2 LYS 108 2HE LYS 108 30.514 2.800 -13.455 824 HE3 LYS 108 3HE LYS 108 28.963 2.417 -14.213 825 HZ1 LYS 108 3HZ LYS 108 29.484 4.047 -15.950 826 HZ2 LYS 108 1HZ LYS 108 30.918 4.402 -15.250 827 HZ3 LYS 108 2HZ LYS 108 30.659 2.919 -15.876 Start of MODEL 15 1 H1 MET 1 H1 MET 1 3.538 -9.052 23.135 2 H2 MET 1 H2 MET 1 2.185 -9.021 24.062 3 H3 MET 1 H3 MET 1 2.656 -7.675 23.263 4 HA MET 1 HA MET 1 2.230 -8.673 21.136 5 HB2 MET 1 2HB MET 1 1.495 -11.107 22.819 6 HB3 MET 1 3HB MET 1 0.927 -10.878 21.167 7 HG2 MET 1 2HG MET 1 2.826 -12.281 21.063 8 HG3 MET 1 3HG MET 1 3.253 -10.729 20.352 9 HE1 MET 1 1HE MET 1 5.795 -11.407 20.344 10 HE2 MET 1 2HE MET 1 6.663 -12.025 21.766 11 HE3 MET 1 3HE MET 1 5.359 -12.986 21.036 12 H ALA 2 H ALA 2 0.118 -8.643 20.134 13 HA ALA 2 HA ALA 2 -2.199 -7.934 21.837 14 HB1 ALA 2 1HB ALA 2 -2.549 -5.841 20.569 15 HB2 ALA 2 2HB ALA 2 -0.992 -5.809 21.412 16 HB3 ALA 2 3HB ALA 2 -1.048 -6.123 19.662 17 H GLU 3 H GLU 3 -4.206 -7.685 20.497 18 HA GLU 3 HA GLU 3 -4.576 -9.938 18.714 19 HB2 GLU 3 2HB GLU 3 -6.377 -7.580 19.385 20 HB3 GLU 3 3HB GLU 3 -6.869 -9.011 18.470 21 HG2 GLU 3 2HG GLU 3 -6.303 -10.453 20.422 22 HG3 GLU 3 3HG GLU 3 -5.895 -9.015 21.358 23 H SER 4 H SER 4 -3.806 -6.590 18.078 24 HA SER 4 HA SER 4 -3.300 -7.185 15.279 25 HB2 SER 4 2HB SER 4 -5.754 -6.779 15.332 26 HB3 SER 4 3HB SER 4 -5.455 -5.153 15.971 27 HG SER 4 HG SER 4 -5.698 -5.215 13.651 28 H SER 5 H SER 5 -2.190 -5.444 14.202 29 HA SER 5 HA SER 5 -1.421 -2.983 15.402 30 HB2 SER 5 2HB SER 5 0.602 -5.273 15.458 31 HB3 SER 5 3HB SER 5 1.097 -3.574 15.393 32 HG SER 5 HG SER 5 -0.749 -4.422 17.347 33 H ASP 6 H ASP 6 -0.754 -1.689 13.790 34 HA ASP 6 HA ASP 6 -0.531 -0.876 11.758 35 HB2 ASP 6 2HB ASP 6 1.328 -3.220 11.273 36 HB3 ASP 6 3HB ASP 6 1.312 -1.714 10.368 37 H LYS 7 H LYS 7 -2.309 -3.556 11.906 38 HA LYS 7 HA LYS 7 -3.861 -4.631 10.762 39 HB2 LYS 7 2HB LYS 7 -4.058 -2.184 8.994 40 HB3 LYS 7 3HB LYS 7 -5.242 -3.471 9.174 41 HG2 LYS 7 2HG LYS 7 -6.207 -2.133 10.716 42 HG3 LYS 7 3HG LYS 7 -4.971 -2.769 11.810 43 HD2 LYS 7 2HD LYS 7 -3.500 -0.820 11.059 44 HD3 LYS 7 3HD LYS 7 -4.928 -0.170 10.227 45 HE2 LYS 7 2HE LYS 7 -6.100 -0.137 12.463 46 HE3 LYS 7 3HE LYS 7 -4.598 -0.716 13.206 47 HZ1 LYS 7 3HZ LYS 7 -4.549 1.639 13.394 48 HZ2 LYS 7 1HZ LYS 7 -3.529 1.330 12.133 49 HZ3 LYS 7 2HZ LYS 7 -5.035 1.885 11.854 50 H LEU 8 H LEU 8 -4.596 -5.586 8.710 51 HA LEU 8 HA LEU 8 -2.580 -7.209 7.590 52 HB2 LEU 8 2HB LEU 8 -5.166 -6.223 6.271 53 HB3 LEU 8 3HB LEU 8 -4.273 -7.657 5.797 54 HG LEU 8 HG LEU 8 -5.722 -7.320 8.457 55 HD11 LEU 8 1HD1 LEU 8 -7.399 -8.807 7.443 56 HD12 LEU 8 2HD1 LEU 8 -7.218 -7.311 6.501 57 HD13 LEU 8 3HD1 LEU 8 -6.479 -8.815 5.917 58 HD21 LEU 8 3HD2 LEU 8 -4.451 -9.757 7.130 59 HD22 LEU 8 1HD2 LEU 8 -3.863 -8.937 8.596 60 HD23 LEU 8 2HD2 LEU 8 -5.423 -9.776 8.620 61 H TYR 9 H TYR 9 -3.524 -3.929 6.722 62 HA TYR 9 HA TYR 9 -1.799 -4.005 4.314 63 HB2 TYR 9 2HB TYR 9 -4.578 -2.828 4.368 64 HB3 TYR 9 3HB TYR 9 -3.510 -2.964 2.972 65 HD1 TYR 9 HD1 TYR 9 -2.691 -5.759 2.910 66 HD2 TYR 9 HD2 TYR 9 -6.470 -4.059 4.045 67 HE1 TYR 9 HE1 TYR 9 -3.793 -7.948 2.479 68 HE2 TYR 9 HE2 TYR 9 -7.586 -6.231 3.608 69 HH TYR 9 HH TYR 9 -5.743 -9.139 2.562 70 H ARG 10 H ARG 10 -0.836 -2.109 3.861 71 HA ARG 10 HA ARG 10 -1.195 0.274 5.635 72 HB2 ARG 10 2HB ARG 10 0.659 -0.972 6.530 73 HB3 ARG 10 3HB ARG 10 1.270 -1.323 4.932 74 HG2 ARG 10 2HG ARG 10 2.768 0.209 5.924 75 HG3 ARG 10 3HG ARG 10 1.926 1.073 4.645 76 HD2 ARG 10 2HD ARG 10 0.367 2.005 6.404 77 HD3 ARG 10 3HD ARG 10 1.346 1.205 7.644 78 HE ARG 10 HE ARG 10 3.010 2.884 6.028 79 HH11 ARG 10 1HH2 ARG 10 0.562 3.273 8.617 80 HH12 ARG 10 2HH2 ARG 10 0.998 4.987 8.714 81 HH21 ARG 10 1HH1 ARG 10 3.556 5.024 6.582 82 HH22 ARG 10 2HH1 ARG 10 2.478 5.849 7.712 83 H VAL 11 H VAL 11 -0.888 2.257 4.594 84 HA VAL 11 HA VAL 11 0.215 2.327 1.849 85 HB VAL 11 HB VAL 11 -2.327 2.161 1.810 86 HG11 VAL 11 1HG1 VAL 11 -2.231 5.094 2.653 87 HG12 VAL 11 2HG1 VAL 11 -3.661 4.126 2.234 88 HG13 VAL 11 3HG1 VAL 11 -2.734 3.784 3.710 89 HG21 VAL 11 3HG2 VAL 11 -1.159 4.698 0.554 90 HG22 VAL 11 1HG2 VAL 11 -0.890 3.080 -0.088 91 HG23 VAL 11 2HG2 VAL 11 -2.532 3.735 -0.034 92 H GLU 12 H GLU 12 1.340 4.229 1.370 93 HA GLU 12 HA GLU 12 0.931 6.668 2.870 94 HB2 GLU 12 2HB GLU 12 3.117 6.872 3.894 95 HB3 GLU 12 3HB GLU 12 2.339 5.445 4.541 96 HG2 GLU 12 2HG GLU 12 3.707 3.983 3.134 97 HG3 GLU 12 3HG GLU 12 4.415 5.368 2.304 98 H TYR 13 H TYR 13 2.129 8.419 2.249 99 HA TYR 13 HA TYR 13 3.623 8.386 -0.270 100 HB2 TYR 13 2HB TYR 13 3.542 10.467 1.934 101 HB3 TYR 13 3HB TYR 13 4.106 10.690 0.282 102 HD1 TYR 13 HD1 TYR 13 1.798 9.233 -1.162 103 HD2 TYR 13 HD2 TYR 13 1.791 12.032 2.114 104 HE1 TYR 13 HE1 TYR 13 -0.371 10.152 -1.955 105 HE2 TYR 13 HE2 TYR 13 -0.426 12.895 1.368 106 HH TYR 13 HH TYR 13 -1.966 11.758 -1.665 107 H ALA 14 H ALA 14 5.708 7.892 -0.428 108 HA ALA 14 HA ALA 14 7.028 6.570 1.724 109 HB1 ALA 14 1HB ALA 14 7.884 7.314 -1.099 110 HB2 ALA 14 2HB ALA 14 8.748 6.168 -0.056 111 HB3 ALA 14 3HB ALA 14 7.090 5.821 -0.599 112 H LYS 15 H LYS 15 8.478 7.231 3.174 113 HA LYS 15 HA LYS 15 9.312 10.030 3.334 114 HB2 LYS 15 2HB LYS 15 9.774 7.599 5.111 115 HB3 LYS 15 3HB LYS 15 10.515 9.158 5.427 116 HG2 LYS 15 2HG LYS 15 8.585 8.955 6.805 117 HG3 LYS 15 3HG LYS 15 8.312 10.236 5.619 118 HD2 LYS 15 2HD LYS 15 6.882 8.778 4.304 119 HD3 LYS 15 3HD LYS 15 7.251 7.386 5.354 120 HE2 LYS 15 2HE LYS 15 6.180 8.595 7.248 121 HE3 LYS 15 3HE LYS 15 5.821 9.951 6.158 122 HZ1 LYS 15 3HZ LYS 15 3.910 8.396 6.363 123 HZ2 LYS 15 1HZ LYS 15 4.493 8.423 4.813 124 HZ3 LYS 15 2HZ LYS 15 4.836 7.165 5.804 125 H SER 16 H SER 16 10.945 6.993 2.646 126 HA SER 16 HA SER 16 13.405 8.276 1.693 127 HB2 SER 16 2HB SER 16 13.641 8.090 4.203 128 HB3 SER 16 3HB SER 16 13.511 6.336 4.031 129 HG SER 16 HG SER 16 15.510 8.094 2.986 130 H GLY 17 H GLY 17 14.694 6.787 0.459 131 HA2 GLY 17 2HA GLY 17 13.033 5.006 -1.069 132 HA3 GLY 17 3HA GLY 17 14.710 5.426 -1.395 133 H ARG 18 H ARG 18 13.679 3.938 1.611 134 HA ARG 18 HA ARG 18 15.915 2.076 1.422 135 HB2 ARG 18 2HB ARG 18 13.972 2.536 3.697 136 HB3 ARG 18 3HB ARG 18 15.537 1.712 3.763 137 HG2 ARG 18 2HG ARG 18 16.490 3.964 2.750 138 HG3 ARG 18 3HG ARG 18 14.939 4.635 3.294 139 HD2 ARG 18 2HD ARG 18 15.461 3.661 5.580 140 HD3 ARG 18 3HD ARG 18 17.072 3.270 4.923 141 HE ARG 18 HE ARG 18 16.351 6.056 4.487 142 HH11 ARG 18 1HH2 ARG 18 17.547 3.984 7.102 143 HH12 ARG 18 2HH2 ARG 18 18.324 5.377 7.870 144 HH21 ARG 18 1HH1 ARG 18 17.415 7.696 5.646 145 HH22 ARG 18 2HH1 ARG 18 18.255 7.243 7.135 146 H ALA 19 H ALA 19 12.497 1.709 1.034 147 HA ALA 19 HA ALA 19 12.379 -1.102 1.809 148 HB1 ALA 19 1HB ALA 19 10.303 0.760 0.582 149 HB2 ALA 19 2HB ALA 19 10.000 -0.854 1.258 150 HB3 ALA 19 3HB ALA 19 10.543 0.455 2.319 151 H SER 20 H SER 20 11.642 -2.810 0.406 152 HA SER 20 HA SER 20 12.460 -2.515 -2.443 153 HB2 SER 20 2HB SER 20 13.352 -4.784 -2.377 154 HB3 SER 20 3HB SER 20 14.236 -3.651 -1.343 155 HG SER 20 HG SER 20 13.914 -5.560 -0.226 156 H CYS 21 HN CYS 21 11.144 -3.304 -3.946 157 HA CYS 21 HA CYS 21 8.416 -3.829 -3.086 158 HB2 CYS 21 2HB CYS 21 9.092 -2.340 -4.956 159 HB3 CYS 21 3HB CYS 21 9.657 -3.761 -5.850 160 H LYS 22 H LYS 22 7.720 -5.755 -2.498 161 HA LYS 22 HA LYS 22 9.226 -8.158 -3.061 162 HB2 LYS 22 2HB LYS 22 6.507 -8.191 -1.760 163 HB3 LYS 22 3HB LYS 22 7.863 -9.265 -1.490 164 HG2 LYS 22 2HG LYS 22 7.678 -6.360 -0.654 165 HG3 LYS 22 3HG LYS 22 7.394 -7.738 0.384 166 HD2 LYS 22 2HD LYS 22 9.723 -8.481 0.157 167 HD3 LYS 22 3HD LYS 22 10.057 -7.136 -0.971 168 HE2 LYS 22 2HE LYS 22 9.287 -5.551 0.837 169 HE3 LYS 22 3HE LYS 22 9.205 -6.939 1.945 170 HZ1 LYS 22 3HZ LYS 22 11.643 -5.921 0.567 171 HZ2 LYS 22 1HZ LYS 22 11.340 -5.823 2.166 172 HZ3 LYS 22 2HZ LYS 22 11.615 -7.280 1.484 173 H LYS 23 H LYS 23 7.156 -6.686 -5.094 174 HA LYS 23 HA LYS 23 6.191 -9.223 -6.371 175 HB2 LYS 23 2HB LYS 23 4.375 -7.786 -5.699 176 HB3 LYS 23 3HB LYS 23 5.100 -6.401 -6.510 177 HG2 LYS 23 2HG LYS 23 3.187 -7.322 -7.730 178 HG3 LYS 23 3HG LYS 23 4.661 -7.361 -8.696 179 HD2 LYS 23 2HD LYS 23 4.908 -9.771 -8.328 180 HD3 LYS 23 3HD LYS 23 3.559 -9.773 -7.180 181 HE2 LYS 23 2HE LYS 23 2.020 -9.051 -8.979 182 HE3 LYS 23 3HE LYS 23 3.364 -9.010 -10.129 183 HZ1 LYS 23 3HZ LYS 23 3.631 -11.409 -9.806 184 HZ2 LYS 23 1HZ LYS 23 2.402 -11.452 -8.727 185 HZ3 LYS 23 2HZ LYS 23 2.106 -11.085 -10.288 186 H CYS 24 HN CYS 24 7.397 -5.953 -7.381 187 HA CYS 24 HA CYS 24 8.277 -7.226 -9.896 188 HB2 CYS 24 2HB CYS 24 8.335 -5.183 -10.921 189 HB3 CYS 24 3HB CYS 24 6.856 -5.206 -9.966 190 H SER 25 H SER 25 9.751 -6.763 -6.993 191 HA SER 25 HA SER 25 11.789 -7.026 -6.202 192 HB2 SER 25 2HB SER 25 13.379 -8.411 -7.236 193 HB3 SER 25 3HB SER 25 11.766 -9.010 -7.630 194 HG SER 25 HG SER 25 12.089 -7.635 -9.631 195 H GLU 26 H GLU 26 11.183 -4.464 -7.743 196 HA GLU 26 HA GLU 26 13.917 -3.301 -7.952 197 HB2 GLU 26 2HB GLU 26 11.163 -2.067 -8.310 198 HB3 GLU 26 3HB GLU 26 12.689 -1.240 -8.594 199 HG2 GLU 26 2HG GLU 26 11.798 -3.686 -10.180 200 HG3 GLU 26 3HG GLU 26 11.479 -2.027 -10.643 201 H SER 27 H SER 27 13.715 -0.866 -6.825 202 HA SER 27 HA SER 27 12.847 -1.291 -4.002 203 HB2 SER 27 2HB SER 27 15.110 0.530 -4.744 204 HB3 SER 27 3HB SER 27 14.591 -0.062 -3.146 205 HG SER 27 HG SER 27 15.254 -2.170 -3.806 206 H ILE 28 H ILE 28 11.909 0.427 -2.890 207 HA ILE 28 HA ILE 28 10.184 1.871 -4.780 208 HB ILE 28 HB ILE 28 9.867 1.473 -1.797 209 HG12 ILE 28 2HG1 ILE 28 8.488 -0.132 -3.990 210 HG13 ILE 28 3HG1 ILE 28 9.944 -0.704 -3.177 211 HG21 ILE 28 1HG2 ILE 28 8.519 3.362 -2.708 212 HG22 ILE 28 2HG2 ILE 28 7.890 2.312 -3.987 213 HG23 ILE 28 3HG2 ILE 28 7.477 2.000 -2.301 214 HD11 ILE 28 3HD1 ILE 28 8.825 -0.577 -0.983 215 HD12 ILE 28 1HD1 ILE 28 7.303 -0.153 -1.799 216 HD13 ILE 28 2HD1 ILE 28 8.081 -1.714 -2.111 217 HA PRO 29 HA PRO 29 12.580 5.556 -3.723 218 HB2 PRO 29 2HB PRO 29 11.492 7.366 -5.459 219 HB3 PRO 29 3HB PRO 29 12.552 6.031 -5.990 220 HG2 PRO 29 2HG PRO 29 9.524 6.115 -5.993 221 HG3 PRO 29 3HG PRO 29 10.615 5.612 -7.321 222 HD2 PRO 29 2HD PRO 29 9.423 3.820 -5.637 223 HD3 PRO 29 3HD PRO 29 11.071 3.551 -6.287 224 H LYS 30 H LYS 30 12.381 7.591 -2.697 225 HA LYS 30 HA LYS 30 10.026 7.985 -1.024 226 HB2 LYS 30 2HB LYS 30 11.143 9.844 -0.074 227 HB3 LYS 30 3HB LYS 30 12.270 8.497 -0.211 228 HG2 LYS 30 2HG LYS 30 13.309 9.520 -2.193 229 HG3 LYS 30 3HG LYS 30 12.181 10.882 -2.106 230 HD2 LYS 30 2HD LYS 30 14.185 10.127 0.067 231 HD3 LYS 30 3HD LYS 30 14.433 11.378 -1.158 232 HE2 LYS 30 2HE LYS 30 12.457 12.620 -0.325 233 HE3 LYS 30 3HE LYS 30 12.184 11.383 0.909 234 HZ1 LYS 30 3HZ LYS 30 14.618 13.074 0.729 235 HZ2 LYS 30 1HZ LYS 30 13.408 13.271 1.805 236 HZ3 LYS 30 2HZ LYS 30 14.339 11.937 1.872 237 H ASP 31 H ASP 31 8.835 9.999 -0.915 238 HA ASP 31 HA ASP 31 7.186 11.227 -1.813 239 HB2 ASP 31 2HB ASP 31 9.160 12.704 -2.176 240 HB3 ASP 31 3HB ASP 31 9.244 12.140 -3.843 241 H SER 32 H SER 32 7.169 8.562 -2.596 242 HA SER 32 HA SER 32 5.432 8.719 -4.990 243 HB2 SER 32 2HB SER 32 6.132 6.665 -5.843 244 HB3 SER 32 3HB SER 32 7.640 7.513 -5.491 245 HG SER 32 HG SER 32 7.986 6.181 -3.766 246 H LEU 33 H LEU 33 3.896 6.721 -4.933 247 HA LEU 33 HA LEU 33 2.784 6.562 -2.186 248 HB2 LEU 33 2HB LEU 33 1.362 7.523 -4.016 249 HB3 LEU 33 3HB LEU 33 1.482 5.981 -4.868 250 HG LEU 33 HG LEU 33 0.410 4.890 -2.848 251 HD11 LEU 33 1HD1 LEU 33 0.797 6.595 -1.135 252 HD12 LEU 33 2HD1 LEU 33 -0.206 7.748 -2.040 253 HD13 LEU 33 3HD1 LEU 33 -0.925 6.282 -1.340 254 HD21 LEU 33 3HD2 LEU 33 -1.230 7.072 -4.190 255 HD22 LEU 33 1HD2 LEU 33 -0.858 5.490 -4.909 256 HD23 LEU 33 2HD2 LEU 33 -1.854 5.577 -3.446 257 H ARG 34 H ARG 34 2.868 4.701 -1.093 258 HA ARG 34 HA ARG 34 3.391 2.130 -2.481 259 HB2 ARG 34 2HB ARG 34 5.251 1.574 -1.101 260 HB3 ARG 34 3HB ARG 34 5.556 3.081 -1.959 261 HG2 ARG 34 2HG ARG 34 5.171 4.358 0.128 262 HG3 ARG 34 3HG ARG 34 4.838 2.841 0.996 263 HD2 ARG 34 2HD ARG 34 7.102 2.003 0.411 264 HD3 ARG 34 3HD ARG 34 7.423 3.501 -0.480 265 HE ARG 34 HE ARG 34 6.732 3.930 2.341 266 HH11 ARG 34 1HH2 ARG 34 9.495 3.420 0.202 267 HH12 ARG 34 2HH2 ARG 34 10.570 4.193 1.339 268 HH21 ARG 34 1HH1 ARG 34 8.080 4.667 3.684 269 HH22 ARG 34 2HH1 ARG 34 9.829 4.617 3.422 270 H MET 35 H MET 35 3.073 0.268 -1.218 271 HA MET 35 HA MET 35 1.219 0.569 1.061 272 HB2 MET 35 2HB MET 35 0.743 -1.061 -1.466 273 HB3 MET 35 3HB MET 35 -0.084 -1.415 0.058 274 HG2 MET 35 2HG MET 35 -0.959 0.897 0.114 275 HG3 MET 35 3HG MET 35 -0.216 1.205 -1.458 276 HE1 MET 35 3HE MET 35 -2.403 -1.796 0.082 277 HE2 MET 35 1HE MET 35 -3.191 -0.265 0.547 278 HE3 MET 35 2HE MET 35 -3.988 -1.361 -0.598 279 H ALA 36 H ALA 36 1.008 -1.406 2.378 280 HA ALA 36 HA ALA 36 3.210 -3.324 2.051 281 HB1 ALA 36 1HB ALA 36 4.537 -2.553 3.669 282 HB2 ALA 36 2HB ALA 36 3.471 -1.142 3.839 283 HB3 ALA 36 3HB ALA 36 3.217 -2.586 4.842 284 H ILE 37 H ILE 37 3.125 -5.180 3.655 285 HA ILE 37 HA ILE 37 0.331 -5.771 4.500 286 HB ILE 37 HB ILE 37 2.036 -7.080 2.460 287 HG12 ILE 37 2HG1 ILE 37 -0.950 -7.136 3.039 288 HG13 ILE 37 3HG1 ILE 37 -0.124 -5.890 2.098 289 HG21 ILE 37 1HG2 ILE 37 0.446 -8.877 4.316 290 HG22 ILE 37 2HG2 ILE 37 1.227 -9.341 2.779 291 HG23 ILE 37 3HG2 ILE 37 2.223 -8.843 4.132 292 HD11 ILE 37 3HD1 ILE 37 -0.428 -8.813 1.350 293 HD12 ILE 37 1HD1 ILE 37 -1.171 -7.406 0.575 294 HD13 ILE 37 2HD1 ILE 37 0.582 -7.650 0.458 295 H MET 38 H MET 38 0.030 -6.906 6.393 296 HA MET 38 HA MET 38 2.418 -7.523 8.013 297 HB2 MET 38 2HB MET 38 -0.551 -7.709 8.525 298 HB3 MET 38 3HB MET 38 0.614 -8.452 9.612 299 HG2 MET 38 2HG MET 38 0.630 -5.516 8.921 300 HG3 MET 38 3HG MET 38 -0.160 -6.224 10.326 301 HE1 MET 38 3HE MET 38 4.051 -4.859 9.813 302 HE2 MET 38 1HE MET 38 3.682 -6.212 8.732 303 HE3 MET 38 2HE MET 38 2.652 -4.772 8.699 304 H VAL 39 H VAL 39 3.616 -9.127 7.433 305 HA VAL 39 HA VAL 39 2.363 -11.852 7.455 306 HB VAL 39 HB VAL 39 3.158 -11.342 5.212 307 HG11 VAL 39 1HG1 VAL 39 5.936 -11.080 6.430 308 HG12 VAL 39 2HG1 VAL 39 5.508 -11.110 4.708 309 HG13 VAL 39 3HG1 VAL 39 4.974 -9.765 5.723 310 HG21 VAL 39 3HG2 VAL 39 4.957 -13.435 6.454 311 HG22 VAL 39 1HG2 VAL 39 3.236 -13.676 6.041 312 HG23 VAL 39 2HG2 VAL 39 4.417 -13.309 4.776 313 H GLN 40 H GLN 40 3.553 -13.504 8.508 314 HA GLN 40 HA GLN 40 5.090 -12.604 10.836 315 HB2 GLN 40 2HB GLN 40 5.210 -15.136 11.241 316 HB3 GLN 40 3HB GLN 40 3.661 -14.312 11.416 317 HG2 GLN 40 2HG GLN 40 2.872 -15.102 9.280 318 HG3 GLN 40 3HG GLN 40 4.454 -15.765 8.863 319 HE21 GLN 40 2HE2 GLN 40 2.791 -17.675 8.497 320 HE22 GLN 40 1HE2 GLN 40 2.600 -18.738 9.884 321 H SER 41 H SER 41 7.210 -12.733 11.209 322 HA SER 41 HA SER 41 8.924 -12.997 8.862 323 HB2 SER 41 2HB SER 41 9.071 -11.081 10.413 324 HB3 SER 41 3HB SER 41 9.603 -12.185 11.682 325 HG SER 41 HG SER 41 10.934 -11.348 9.338 326 HA PRO 42 HA PRO 42 10.917 -16.752 10.200 327 HB2 PRO 42 2HB PRO 42 12.923 -16.023 8.083 328 HB3 PRO 42 3HB PRO 42 12.082 -17.578 8.341 329 HG2 PRO 42 2HG PRO 42 11.341 -15.900 6.325 330 HG3 PRO 42 3HG PRO 42 10.106 -16.781 7.286 331 HD2 PRO 42 2HD PRO 42 11.045 -13.912 7.632 332 HD3 PRO 42 3HD PRO 42 9.379 -14.569 7.588 333 H MET 43 H MET 43 12.177 -13.540 10.200 334 HA MET 43 HA MET 43 14.678 -14.303 11.662 335 HB2 MET 43 2HB MET 43 14.005 -11.942 9.903 336 HB3 MET 43 3HB MET 43 15.462 -12.027 10.887 337 HG2 MET 43 2HG MET 43 16.474 -13.615 9.614 338 HG3 MET 43 3HG MET 43 14.976 -14.411 9.155 339 HE1 MET 43 3HE MET 43 13.575 -12.469 6.208 340 HE2 MET 43 1HE MET 43 13.563 -13.976 7.155 341 HE3 MET 43 2HE MET 43 13.113 -12.446 7.927 342 H PHE 44 H PHE 44 11.743 -12.404 11.902 343 HA PHE 44 HA PHE 44 12.635 -11.171 14.473 344 HB2 PHE 44 2HB PHE 44 12.202 -9.538 12.746 345 HB3 PHE 44 3HB PHE 44 10.634 -10.238 12.399 346 HD1 PHE 44 HD1 PHE 44 12.575 -8.611 15.180 347 HD2 PHE 44 HD2 PHE 44 8.697 -9.413 13.465 348 HE1 PHE 44 HE1 PHE 44 11.513 -7.138 16.876 349 HE2 PHE 44 HE2 PHE 44 7.644 -7.928 15.151 350 HZ PHE 44 HZ PHE 44 9.048 -6.797 16.866 351 H ASP 45 H ASP 45 11.029 -10.876 16.105 352 HA ASP 45 HA ASP 45 9.646 -13.427 16.613 353 HB2 ASP 45 2HB ASP 45 10.358 -11.114 18.448 354 HB3 ASP 45 3HB ASP 45 9.608 -12.626 18.962 355 H GLY 46 H GLY 46 8.203 -12.097 14.712 356 HA2 GLY 46 2HA GLY 46 5.569 -11.907 15.576 357 HA3 GLY 46 3HA GLY 46 6.233 -10.279 15.750 358 H LYS 47 H LYS 47 5.031 -9.352 14.166 359 HA LYS 47 HA LYS 47 5.071 -10.446 11.401 360 HB2 LYS 47 2HB LYS 47 3.255 -8.370 12.655 361 HB3 LYS 47 3HB LYS 47 3.077 -9.038 11.045 362 HG2 LYS 47 2HG LYS 47 3.036 -10.876 13.492 363 HG3 LYS 47 3HG LYS 47 1.625 -9.913 13.093 364 HD2 LYS 47 2HD LYS 47 2.886 -11.998 11.288 365 HD3 LYS 47 3HD LYS 47 1.473 -12.221 12.322 366 HE2 LYS 47 2HE LYS 47 0.453 -10.200 11.045 367 HE3 LYS 47 3HE LYS 47 1.741 -10.471 9.862 368 HZ1 LYS 47 3HZ LYS 47 0.853 -12.797 9.652 369 HZ2 LYS 47 1HZ LYS 47 -0.381 -12.403 10.643 370 HZ3 LYS 47 2HZ LYS 47 -0.233 -11.663 9.196 371 H VAL 48 H VAL 48 5.671 -9.240 9.673 372 HA VAL 48 HA VAL 48 7.059 -6.650 10.161 373 HB VAL 48 HB VAL 48 8.786 -7.380 8.507 374 HG11 VAL 48 1HG1 VAL 48 8.616 -8.998 11.087 375 HG12 VAL 48 2HG1 VAL 48 10.089 -8.677 10.150 376 HG13 VAL 48 3HG1 VAL 48 9.226 -7.344 10.930 377 HG21 VAL 48 3HG2 VAL 48 7.657 -9.260 7.420 378 HG22 VAL 48 1HG2 VAL 48 9.186 -9.772 8.142 379 HG23 VAL 48 2HG2 VAL 48 7.650 -10.171 8.939 380 HA PRO 49 HA PRO 49 4.628 -5.440 6.720 381 HB2 PRO 49 2HB PRO 49 5.645 -2.988 6.088 382 HB3 PRO 49 3HB PRO 49 4.790 -3.322 7.624 383 HG2 PRO 49 2HG PRO 49 7.785 -3.266 7.135 384 HG3 PRO 49 3HG PRO 49 6.864 -2.486 8.457 385 HD2 PRO 49 2HD PRO 49 8.120 -4.910 8.746 386 HD3 PRO 49 3HD PRO 49 6.593 -4.516 9.591 387 H HIS 50 H HIS 50 4.666 -6.399 4.776 388 HA HIS 50 HA HIS 50 7.105 -6.379 3.055 389 HB2 HIS 50 2HB HIS 50 4.498 -7.892 3.060 390 HB3 HIS 50 3HB HIS 50 5.393 -7.703 1.554 391 HD2 HIS 50 HD2 HIS 50 7.238 -8.071 4.883 392 HE1 HIS 50 HE1 HIS 50 7.904 -11.684 2.715 393 HE2 HIS 50 HE2 HIS 50 8.605 -10.344 4.767 394 H TRP 51 H TRP 51 7.420 -4.329 2.409 395 HA TRP 51 HA TRP 51 5.293 -2.646 1.427 396 HB2 TRP 51 2HB TRP 51 8.294 -2.371 1.168 397 HB3 TRP 51 3HB TRP 51 7.110 -1.119 0.818 398 HD1 TRP 51 HD1 TRP 51 8.984 -2.725 3.657 399 HE1 TRP 51 HE1 TRP 51 8.570 -1.443 5.834 400 HE3 TRP 51 HE3 TRP 51 5.180 0.349 2.085 401 HZ2 TRP 51 HZ2 TRP 51 6.778 0.581 6.805 402 HZ3 TRP 51 HZ3 TRP 51 4.074 1.882 3.720 403 HH2 TRP 51 HH2 TRP 51 4.921 2.051 6.050 404 H TYR 52 H TYR 52 4.705 -2.191 -0.645 405 HA TYR 52 HA TYR 52 6.362 -3.042 -2.942 406 HB2 TYR 52 2HB TYR 52 3.385 -3.290 -3.187 407 HB3 TYR 52 3HB TYR 52 4.688 -4.005 -4.138 408 HD1 TYR 52 HD1 TYR 52 3.088 -4.288 -0.722 409 HD2 TYR 52 HD2 TYR 52 5.040 -6.236 -4.026 410 HE1 TYR 52 HE1 TYR 52 2.569 -6.507 0.280 411 HE2 TYR 52 HE2 TYR 52 4.461 -8.461 -3.057 412 HH TYR 52 HH TYR 52 2.713 -8.790 0.044 413 H HIS 53 H HIS 53 5.784 -1.734 -4.884 414 HA HIS 53 HA HIS 53 4.997 1.034 -4.465 415 HB2 HIS 53 2HB HIS 53 4.627 -0.641 -6.977 416 HB3 HIS 53 3HB HIS 53 4.559 1.093 -6.869 417 HD2 HIS 53 HD2 HIS 53 6.870 2.448 -6.329 418 HE1 HIS 53 HE1 HIS 53 9.396 -0.548 -8.001 419 HE2 HIS 53 HE2 HIS 53 9.255 1.888 -7.305 420 H PHE 54 H PHE 54 2.868 2.035 -4.850 421 HA PHE 54 HA PHE 54 0.678 0.669 -3.692 422 HB2 PHE 54 2HB PHE 54 0.464 2.920 -3.632 423 HB3 PHE 54 3HB PHE 54 1.010 3.183 -5.284 424 HD1 PHE 54 HD2 PHE 54 -1.943 2.354 -3.183 425 HD2 PHE 54 HD1 PHE 54 -0.490 3.069 -7.181 426 HE1 PHE 54 HE2 PHE 54 -4.291 2.452 -4.038 427 HE2 PHE 54 HE1 PHE 54 -2.830 3.148 -8.012 428 HZ PHE 54 HZ PHE 54 -4.718 2.762 -6.452 429 H SER 55 H SER 55 1.537 0.972 -7.168 430 HA SER 55 HA SER 55 -0.890 -0.301 -8.109 431 HB2 SER 55 2HB SER 55 0.203 -0.358 -10.284 432 HB3 SER 55 3HB SER 55 0.322 1.239 -9.542 433 HG SER 55 HG SER 55 2.465 0.837 -9.033 434 H CYS 56 HN CYS 56 2.349 -1.456 -7.238 435 HA CYS 56 HA CYS 56 2.097 -4.046 -8.264 436 HB2 CYS 56 2HB CYS 56 3.834 -2.879 -6.083 437 HB3 CYS 56 3HB CYS 56 3.995 -4.533 -6.659 438 H PHE 57 H PHE 57 1.119 -2.764 -5.093 439 HA PHE 57 HA PHE 57 0.399 -5.119 -3.700 440 HB2 PHE 57 2HB PHE 57 0.291 -2.836 -2.819 441 HB3 PHE 57 3HB PHE 57 -1.088 -2.482 -3.854 442 HD1 PHE 57 HD1 PHE 57 -3.241 -3.826 -3.561 443 HD2 PHE 57 HD2 PHE 57 -0.029 -3.896 -0.687 444 HE1 PHE 57 HE1 PHE 57 -4.800 -4.696 -1.853 445 HE2 PHE 57 HE2 PHE 57 -1.620 -4.693 1.048 446 HZ PHE 57 HZ PHE 57 -3.996 -5.133 0.457 447 H TRP 58 H TRP 58 -1.566 -3.306 -6.117 448 HA TRP 58 HA TRP 58 -3.643 -5.326 -6.164 449 HB2 TRP 58 2HB TRP 58 -3.265 -3.086 -8.146 450 HB3 TRP 58 3HB TRP 58 -4.751 -3.924 -7.705 451 HD1 TRP 58 HD1 TRP 58 -2.644 -1.001 -6.851 452 HE1 TRP 58 HE1 TRP 58 -3.464 0.256 -4.793 453 HE3 TRP 58 HE3 TRP 58 -6.203 -4.335 -5.239 454 HZ2 TRP 58 HZ2 TRP 58 -5.515 -0.070 -2.760 455 HZ3 TRP 58 HZ3 TRP 58 -7.564 -3.823 -3.247 456 HH2 TRP 58 HH2 TRP 58 -7.248 -1.681 -2.025 457 H LYS 59 H LYS 59 -0.616 -5.124 -7.821 458 HA LYS 59 HA LYS 59 -1.334 -7.029 -9.956 459 HB2 LYS 59 2HB LYS 59 1.373 -6.147 -8.921 460 HB3 LYS 59 3HB LYS 59 1.120 -7.226 -10.288 461 HG2 LYS 59 2HG LYS 59 0.061 -5.524 -11.605 462 HG3 LYS 59 3HG LYS 59 -0.095 -4.458 -10.217 463 HD2 LYS 59 2HD LYS 59 2.635 -4.808 -10.230 464 HD3 LYS 59 3HD LYS 59 2.294 -4.964 -11.956 465 HE2 LYS 59 2HE LYS 59 1.356 -2.783 -12.085 466 HE3 LYS 59 3HE LYS 59 0.995 -2.761 -10.359 467 HZ1 LYS 59 3HZ LYS 59 3.692 -2.449 -11.540 468 HZ2 LYS 59 1HZ LYS 59 2.839 -1.337 -10.662 469 HZ3 LYS 59 2HZ LYS 59 3.433 -2.661 -9.936 470 H VAL 60 H VAL 60 -0.199 -7.193 -6.590 471 HA VAL 60 HA VAL 60 0.019 -10.140 -6.629 472 HB VAL 60 HB VAL 60 -0.340 -8.303 -4.231 473 HG11 VAL 60 1HG1 VAL 60 0.631 -11.188 -4.458 474 HG12 VAL 60 2HG1 VAL 60 0.654 -10.205 -2.980 475 HG13 VAL 60 3HG1 VAL 60 -0.890 -10.654 -3.713 476 HG21 VAL 60 3HG2 VAL 60 2.217 -9.504 -5.366 477 HG22 VAL 60 1HG2 VAL 60 1.773 -7.785 -5.459 478 HG23 VAL 60 2HG2 VAL 60 2.061 -8.532 -3.892 479 H GLY 61 H GLY 61 -2.475 -7.713 -5.931 480 HA2 GLY 61 2HA GLY 61 -4.707 -7.914 -6.546 481 HA3 GLY 61 3HA GLY 61 -4.507 -9.646 -6.795 482 H HIS 62 H HIS 62 -3.629 -8.134 -3.711 483 HA HIS 62 HA HIS 62 -5.529 -9.701 -2.177 484 HB2 HIS 62 2HB HIS 62 -3.757 -7.336 -1.497 485 HB3 HIS 62 3HB HIS 62 -4.875 -8.049 -0.335 486 HD2 HIS 62 HD2 HIS 62 -1.517 -8.690 -2.024 487 HE1 HIS 62 HE1 HIS 62 -2.157 -11.955 0.646 488 HE2 HIS 62 HE2 HIS 62 -0.469 -10.830 -0.890 489 H SER 63 H SER 63 -7.541 -9.263 -1.523 490 HA SER 63 HA SER 63 -8.900 -6.813 -2.537 491 HB2 SER 63 2HB SER 63 -10.018 -9.389 -1.367 492 HB3 SER 63 3HB SER 63 -10.981 -8.001 -1.903 493 HG SER 63 HG SER 63 -9.192 -9.523 -3.531 494 H ILE 64 H ILE 64 -10.061 -5.446 -1.280 495 HA ILE 64 HA ILE 64 -9.709 -5.519 1.685 496 HB ILE 64 HB ILE 64 -9.256 -3.040 0.002 497 HG12 ILE 64 2HG1 ILE 64 -7.125 -4.969 0.970 498 HG13 ILE 64 3HG1 ILE 64 -7.452 -4.441 -0.681 499 HG21 ILE 64 1HG2 ILE 64 -8.539 -3.718 2.884 500 HG22 ILE 64 2HG2 ILE 64 -8.290 -2.158 2.088 501 HG23 ILE 64 3HG2 ILE 64 -9.935 -2.739 2.389 502 HD11 ILE 64 3HD1 ILE 64 -5.558 -3.212 -0.085 503 HD12 ILE 64 1HD1 ILE 64 -6.869 -2.052 0.148 504 HD13 ILE 64 2HD1 ILE 64 -6.144 -2.884 1.544 505 H ARG 65 H ARG 65 -11.550 -5.019 2.725 506 HA ARG 65 HA ARG 65 -13.950 -4.371 1.021 507 HB2 ARG 65 2HB ARG 65 -15.201 -5.835 2.704 508 HB3 ARG 65 3HB ARG 65 -14.266 -6.607 1.445 509 HG2 ARG 65 2HG ARG 65 -13.003 -6.181 4.161 510 HG3 ARG 65 3HG ARG 65 -14.169 -7.470 3.950 511 HD2 ARG 65 2HD ARG 65 -12.778 -8.768 2.732 512 HD3 ARG 65 3HD ARG 65 -12.120 -7.414 1.808 513 HE ARG 65 HE ARG 65 -11.023 -7.063 4.339 514 HH11 ARG 65 1HH2 ARG 65 -10.801 -9.624 1.923 515 HH12 ARG 65 2HH2 ARG 65 -9.145 -9.949 2.369 516 HH21 ARG 65 1HH1 ARG 65 -9.111 -7.566 4.852 517 HH22 ARG 65 2HH1 ARG 65 -8.133 -8.685 3.896 518 H HIS 66 H HIS 66 -12.279 -3.530 3.911 519 HA HIS 66 HA HIS 66 -13.991 -1.141 4.028 520 HB2 HIS 66 2HB HIS 66 -14.117 -1.093 6.459 521 HB3 HIS 66 3HB HIS 66 -15.112 -2.308 5.690 522 HD2 HIS 66 HD2 HIS 66 -12.946 -4.742 5.626 523 HE1 HIS 66 HE1 HIS 66 -13.250 -4.450 9.839 524 HE2 HIS 66 HE2 HIS 66 -12.555 -5.946 7.914 525 HA PRO 67 HA PRO 67 -9.455 -0.737 3.744 526 HB2 PRO 67 2HB PRO 67 -9.382 1.390 1.907 527 HB3 PRO 67 3HB PRO 67 -9.465 -0.332 1.449 528 HG2 PRO 67 2HG PRO 67 -11.762 1.613 1.777 529 HG3 PRO 67 3HG PRO 67 -11.443 0.498 0.407 530 HD2 PRO 67 2HD PRO 67 -13.194 -0.167 2.312 531 HD3 PRO 67 3HD PRO 67 -12.030 -1.401 1.737 532 H ASP 68 H ASP 68 -11.828 1.756 4.467 533 HA ASP 68 HA ASP 68 -10.030 3.736 5.475 534 HB2 ASP 68 2HB ASP 68 -12.507 3.891 4.827 535 HB3 ASP 68 3HB ASP 68 -12.892 3.087 6.342 536 H VAL 69 H VAL 69 -11.103 0.708 6.713 537 HA VAL 69 HA VAL 69 -10.104 1.203 9.455 538 HB VAL 69 HB VAL 69 -11.645 -1.180 8.365 539 HG11 VAL 69 1HG1 VAL 69 -10.443 -1.681 10.444 540 HG12 VAL 69 2HG1 VAL 69 -11.137 -0.236 11.218 541 HG13 VAL 69 3HG1 VAL 69 -12.178 -1.599 10.747 542 HG21 VAL 69 3HG2 VAL 69 -12.712 1.293 9.785 543 HG22 VAL 69 1HG2 VAL 69 -13.093 0.753 8.130 544 HG23 VAL 69 2HG2 VAL 69 -13.635 -0.204 9.504 545 H GLU 70 H GLU 70 -9.675 -0.858 6.605 546 HA GLU 70 HA GLU 70 -7.682 -2.577 7.980 547 HB2 GLU 70 2HB GLU 70 -8.735 -2.635 5.108 548 HB3 GLU 70 3HB GLU 70 -7.723 -3.869 5.865 549 HG2 GLU 70 2HG GLU 70 -9.513 -4.412 7.453 550 HG3 GLU 70 3HG GLU 70 -10.562 -3.216 6.691 551 H VAL 71 H VAL 71 -7.527 0.041 5.647 552 HA VAL 71 HA VAL 71 -4.630 -0.500 5.140 553 HB VAL 71 HB VAL 71 -6.324 1.644 3.888 554 HG11 VAL 71 1HG1 VAL 71 -3.598 0.397 3.299 555 HG12 VAL 71 2HG1 VAL 71 -4.405 1.707 2.390 556 HG13 VAL 71 3HG1 VAL 71 -3.853 1.975 4.063 557 HG21 VAL 71 3HG2 VAL 71 -6.149 0.089 1.897 558 HG22 VAL 71 1HG2 VAL 71 -5.489 -1.160 2.991 559 HG23 VAL 71 2HG2 VAL 71 -7.148 -0.572 3.200 560 H ASP 72 H ASP 72 -3.584 -0.099 6.894 561 HA ASP 72 HA ASP 72 -3.880 2.177 8.637 562 HB2 ASP 72 2HB ASP 72 -2.842 -0.029 9.118 563 HB3 ASP 72 3HB ASP 72 -1.501 0.378 8.047 564 H GLY 73 H GLY 73 -2.753 4.146 8.612 565 HA2 GLY 73 2HA GLY 73 -1.435 5.890 7.801 566 HA3 GLY 73 3HA GLY 73 -0.755 4.808 6.583 567 H PHE 74 H PHE 74 -4.033 4.485 6.215 568 HA PHE 74 HA PHE 74 -4.407 6.095 3.901 569 HB2 PHE 74 2HB PHE 74 -5.724 4.131 4.555 570 HB3 PHE 74 3HB PHE 74 -6.356 4.983 5.961 571 HD1 PHE 74 HD1 PHE 74 -6.462 4.662 2.279 572 HD2 PHE 74 HD2 PHE 74 -8.157 6.613 5.735 573 HE1 PHE 74 HE1 PHE 74 -8.398 5.405 0.917 574 HE2 PHE 74 HE2 PHE 74 -10.086 7.362 4.367 575 HZ PHE 74 HZ PHE 74 -10.210 6.753 1.962 576 H SER 75 H SER 75 -4.665 6.903 7.330 577 HA SER 75 HA SER 75 -5.897 9.497 7.110 578 HB2 SER 75 2HB SER 75 -4.812 9.752 9.401 579 HB3 SER 75 3HB SER 75 -5.946 8.396 9.212 580 HG SER 75 HG SER 75 -3.974 7.790 10.269 581 H GLU 76 H GLU 76 -2.620 8.402 6.445 582 HA GLU 76 HA GLU 76 -1.429 11.072 6.780 583 HB2 GLU 76 2HB GLU 76 -0.241 8.519 5.618 584 HB3 GLU 76 3HB GLU 76 0.630 10.003 5.975 585 HG2 GLU 76 2HG GLU 76 0.215 9.764 8.366 586 HG3 GLU 76 3HG GLU 76 -0.815 8.356 8.091 587 H LEU 77 H LEU 77 -3.129 9.403 4.320 588 HA LEU 77 HA LEU 77 -1.963 10.761 2.000 589 HB2 LEU 77 2HB LEU 77 -4.532 9.177 2.316 590 HB3 LEU 77 3HB LEU 77 -3.833 9.701 0.793 591 HG LEU 77 HG LEU 77 -2.686 7.628 2.706 592 HD11 LEU 77 1HD1 LEU 77 -3.929 7.475 -0.078 593 HD12 LEU 77 2HD1 LEU 77 -3.175 6.121 0.765 594 HD13 LEU 77 3HD1 LEU 77 -4.635 6.871 1.434 595 HD21 LEU 77 3HD2 LEU 77 -1.608 8.565 0.016 596 HD22 LEU 77 1HD2 LEU 77 -0.833 8.832 1.594 597 HD23 LEU 77 2HD2 LEU 77 -1.001 7.190 0.968 598 H ARG 78 H ARG 78 -3.089 12.207 0.626 599 HA ARG 78 HA ARG 78 -5.138 13.961 1.877 600 HB2 ARG 78 2HB ARG 78 -3.554 14.105 -0.727 601 HB3 ARG 78 3HB ARG 78 -4.920 15.163 -0.427 602 HG2 ARG 78 2HG ARG 78 -2.459 15.009 1.366 603 HG3 ARG 78 3HG ARG 78 -2.756 16.224 0.113 604 HD2 ARG 78 2HD ARG 78 -4.877 16.874 1.294 605 HD3 ARG 78 3HD ARG 78 -4.457 15.761 2.603 606 HE ARG 78 HE ARG 78 -2.242 17.500 2.156 607 HH11 ARG 78 1HH2 ARG 78 -5.476 17.711 3.496 608 HH12 ARG 78 2HH2 ARG 78 -5.050 19.035 4.545 609 HH21 ARG 78 1HH1 ARG 78 -1.773 19.191 3.517 610 HH22 ARG 78 2HH1 ARG 78 -3.008 19.847 4.550 611 H TRP 79 H TRP 79 -6.989 14.591 0.620 612 HA TRP 79 HA TRP 79 -8.737 12.483 0.524 613 HB2 TRP 79 2HB TRP 79 -9.948 14.325 0.809 614 HB3 TRP 79 3HB TRP 79 -8.818 15.340 -0.061 615 HD1 TRP 79 HD1 TRP 79 -12.030 13.367 -0.603 616 HE1 TRP 79 HE1 TRP 79 -13.029 13.975 -2.894 617 HE3 TRP 79 HE3 TRP 79 -8.166 16.150 -2.436 618 HZ2 TRP 79 HZ2 TRP 79 -12.263 15.540 -5.211 619 HZ3 TRP 79 HZ3 TRP 79 -8.295 17.167 -4.702 620 HH2 TRP 79 HH2 TRP 79 -10.339 16.872 -6.096 621 H ASP 80 H ASP 80 -6.985 13.807 -2.291 622 HA ASP 80 HA ASP 80 -8.511 12.361 -4.226 623 HB2 ASP 80 2HB ASP 80 -7.210 14.434 -4.682 624 HB3 ASP 80 3HB ASP 80 -5.721 13.494 -4.538 625 H ASP 81 H ASP 81 -5.754 11.372 -2.283 626 HA ASP 81 HA ASP 81 -5.283 8.947 -3.915 627 HB2 ASP 81 2HB ASP 81 -3.871 10.084 -1.488 628 HB3 ASP 81 3HB ASP 81 -3.532 8.492 -2.177 629 H GLN 82 H GLN 82 -6.686 10.006 -0.785 630 HA GLN 82 HA GLN 82 -7.448 7.457 0.197 631 HB2 GLN 82 2HB GLN 82 -8.670 10.231 0.403 632 HB3 GLN 82 3HB GLN 82 -9.429 8.841 1.169 633 HG2 GLN 82 2HG GLN 82 -7.382 8.362 2.427 634 HG3 GLN 82 3HG GLN 82 -6.574 9.741 1.671 635 HE21 GLN 82 2HE2 GLN 82 -6.663 9.626 4.422 636 HE22 GLN 82 1HE2 GLN 82 -7.763 10.884 5.003 637 H GLN 83 H GLN 83 -9.373 9.670 -1.956 638 HA GLN 83 HA GLN 83 -11.456 7.751 -2.285 639 HB2 GLN 83 2HB GLN 83 -12.395 9.174 -3.910 640 HB3 GLN 83 3HB GLN 83 -11.704 10.182 -2.640 641 HG2 GLN 83 2HG GLN 83 -9.710 10.566 -4.133 642 HG3 GLN 83 3HG GLN 83 -10.524 9.681 -5.415 643 HE21 GLN 83 2HE2 GLN 83 -9.785 12.303 -6.038 644 HE22 GLN 83 1HE2 GLN 83 -11.224 13.301 -5.987 645 H LYS 84 H LYS 84 -8.349 7.957 -3.937 646 HA LYS 84 HA LYS 84 -9.125 6.225 -6.163 647 HB2 LYS 84 2HB LYS 84 -7.621 8.071 -6.518 648 HB3 LYS 84 3HB LYS 84 -6.573 7.571 -5.198 649 HG2 LYS 84 2HG LYS 84 -6.971 5.725 -7.551 650 HG3 LYS 84 3HG LYS 84 -5.944 7.141 -7.730 651 HD2 LYS 84 2HD LYS 84 -5.599 4.974 -5.638 652 HD3 LYS 84 3HD LYS 84 -4.649 5.142 -7.121 653 HE2 LYS 84 2HE LYS 84 -4.678 6.988 -4.700 654 HE3 LYS 84 3HE LYS 84 -3.393 5.883 -5.164 655 HZ1 LYS 84 3HZ LYS 84 -4.237 8.176 -6.855 656 HZ2 LYS 84 1HZ LYS 84 -3.024 8.257 -5.777 657 HZ3 LYS 84 2HZ LYS 84 -2.909 7.238 -7.070 658 H VAL 85 H VAL 85 -7.343 5.954 -3.041 659 HA VAL 85 HA VAL 85 -6.739 3.119 -3.409 660 HB VAL 85 HB VAL 85 -6.954 4.843 -0.910 661 HG11 VAL 85 1HG1 VAL 85 -6.004 1.941 -1.095 662 HG12 VAL 85 2HG1 VAL 85 -5.768 3.007 0.301 663 HG13 VAL 85 3HG1 VAL 85 -7.401 2.542 -0.172 664 HG21 VAL 85 3HG2 VAL 85 -4.996 5.192 -2.548 665 HG22 VAL 85 1HG2 VAL 85 -4.573 4.817 -0.874 666 HG23 VAL 85 2HG2 VAL 85 -4.472 3.557 -2.112 667 H LYS 86 H LYS 86 -9.500 4.826 -1.837 668 HA LYS 86 HA LYS 86 -11.010 2.446 -1.259 669 HB2 LYS 86 2HB LYS 86 -11.870 5.325 -1.782 670 HB3 LYS 86 3HB LYS 86 -12.992 4.021 -1.363 671 HG2 LYS 86 2HG LYS 86 -11.621 3.562 0.696 672 HG3 LYS 86 3HG LYS 86 -10.671 5.012 0.357 673 HD2 LYS 86 2HD LYS 86 -12.589 6.436 0.636 674 HD3 LYS 86 3HD LYS 86 -13.708 5.051 0.678 675 HE2 LYS 86 2HE LYS 86 -12.907 4.274 2.761 676 HE3 LYS 86 3HE LYS 86 -11.470 5.278 2.698 677 HZ1 LYS 86 3HZ LYS 86 -12.978 6.296 4.204 678 HZ2 LYS 86 1HZ LYS 86 -12.983 7.249 2.882 679 HZ3 LYS 86 2HZ LYS 86 -14.241 6.237 3.148 680 H LYS 87 H LYS 87 -11.077 4.533 -4.194 681 HA LYS 87 HA LYS 87 -12.938 2.968 -5.678 682 HB2 LYS 87 2HB LYS 87 -12.179 5.246 -6.331 683 HB3 LYS 87 3HB LYS 87 -10.560 4.622 -6.648 684 HG2 LYS 87 2HG LYS 87 -11.656 4.960 -8.733 685 HG3 LYS 87 3HG LYS 87 -11.496 3.218 -8.505 686 HD2 LYS 87 2HD LYS 87 -13.868 3.111 -7.747 687 HD3 LYS 87 3HD LYS 87 -13.989 4.877 -7.936 688 HE2 LYS 87 2HE LYS 87 -13.469 4.636 -10.361 689 HE3 LYS 87 3HE LYS 87 -13.357 2.882 -10.165 690 HZ1 LYS 87 3HZ LYS 87 -15.810 4.497 -9.691 691 HZ2 LYS 87 1HZ LYS 87 -15.544 3.544 -10.988 692 HZ3 LYS 87 2HZ LYS 87 -15.710 2.875 -9.509 693 H THR 88 H THR 88 -9.371 2.679 -5.574 694 HA THR 88 HA THR 88 -9.229 0.521 -7.393 695 HB THR 88 HB THR 88 -7.191 1.220 -5.263 696 HG1 THR 88 1HG THR 88 -7.593 2.988 -6.546 697 HG21 THR 88 1HG2 THR 88 -5.644 0.295 -6.990 698 HG22 THR 88 2HG2 THR 88 -6.777 -0.940 -6.403 699 HG23 THR 88 3HG2 THR 88 -7.056 -0.166 -7.966 700 H ALA 89 H ALA 89 -9.794 0.493 -3.877 701 HA ALA 89 HA ALA 89 -9.479 -2.361 -3.548 702 HB1 ALA 89 1HB ALA 89 -10.953 -0.257 -1.912 703 HB2 ALA 89 2HB ALA 89 -10.599 -1.916 -1.398 704 HB3 ALA 89 3HB ALA 89 -9.268 -0.776 -1.689 705 H GLU 90 H GLU 90 -12.221 -0.203 -4.391 706 HA GLU 90 HA GLU 90 -14.135 -2.373 -4.517 707 HB2 GLU 90 2HB GLU 90 -14.200 0.406 -5.762 708 HB3 GLU 90 3HB GLU 90 -15.531 -0.750 -5.809 709 HG2 GLU 90 2HG GLU 90 -15.555 -0.782 -3.302 710 HG3 GLU 90 3HG GLU 90 -14.342 0.499 -3.305 711 H ALA 91 H ALA 91 -11.988 -0.846 -6.877 712 HA ALA 91 HA ALA 91 -13.034 -2.195 -9.190 713 HB1 ALA 91 1HB ALA 91 -10.440 -0.650 -8.720 714 HB2 ALA 91 2HB ALA 91 -11.154 -1.037 -10.299 715 HB3 ALA 91 3HB ALA 91 -11.994 0.059 -9.184 716 H GLY 92 H GLY 92 -10.492 -3.056 -6.904 717 HA2 GLY 92 2HA GLY 92 -9.237 -4.983 -6.674 718 HA3 GLY 92 3HA GLY 92 -10.013 -5.684 -8.098 719 H GLY 93 H GLY 93 -8.701 -2.563 -8.668 720 HA2 GLY 93 2HA GLY 93 -6.018 -2.838 -9.276 721 HA3 GLY 93 3HA GLY 93 -6.859 -3.523 -10.675 722 H VAL 94 H VAL 94 -5.280 -0.945 -10.124 723 HA VAL 94 HA VAL 94 -7.213 1.204 -10.295 724 HB VAL 94 HB VAL 94 -5.100 1.347 -9.059 725 HG11 VAL 94 1HG1 VAL 94 -3.549 0.303 -10.688 726 HG12 VAL 94 2HG1 VAL 94 -3.750 1.697 -11.768 727 HG13 VAL 94 3HG1 VAL 94 -3.002 1.903 -10.174 728 HG21 VAL 94 3HG2 VAL 94 -5.376 3.550 -11.131 729 HG22 VAL 94 1HG2 VAL 94 -6.384 3.364 -9.674 730 HG23 VAL 94 2HG2 VAL 94 -4.650 3.664 -9.525 731 H THR 95 H THR 95 -7.576 2.713 -11.956 732 HA THR 95 HA THR 95 -7.642 1.542 -14.624 733 HB THR 95 HB THR 95 -8.836 3.692 -15.183 734 HG1 THR 95 1HG THR 95 -9.359 5.028 -13.449 735 HG21 THR 95 1HG2 THR 95 -10.094 1.690 -14.404 736 HG22 THR 95 2HG2 THR 95 -9.921 2.240 -12.723 737 HG23 THR 95 3HG2 THR 95 -10.856 3.204 -13.890 738 H GLY 96 H GLY 96 -5.444 3.711 -13.107 739 HA2 GLY 96 2HA GLY 96 -4.444 4.732 -15.665 740 HA3 GLY 96 3HA GLY 96 -3.798 5.100 -14.062 741 H LYS 97 H LYS 97 -1.920 4.762 -15.791 742 HA LYS 97 HA LYS 97 -0.994 2.024 -16.213 743 HB2 LYS 97 2HB LYS 97 0.407 4.714 -16.528 744 HB3 LYS 97 3HB LYS 97 1.097 3.155 -16.995 745 HG2 LYS 97 2HG LYS 97 -0.796 2.776 -18.566 746 HG3 LYS 97 3HG LYS 97 -1.451 4.372 -18.151 747 HD2 LYS 97 2HD LYS 97 0.635 5.444 -18.969 748 HD3 LYS 97 3HD LYS 97 1.283 3.844 -19.399 749 HE2 LYS 97 2HE LYS 97 -0.637 3.488 -20.940 750 HE3 LYS 97 3HE LYS 97 -1.277 5.080 -20.515 751 HZ1 LYS 97 3HZ LYS 97 1.342 4.595 -21.837 752 HZ2 LYS 97 1HZ LYS 97 0.003 5.162 -22.576 753 HZ3 LYS 97 2HZ LYS 97 0.751 6.068 -21.445 754 H GLY 98 H GLY 98 1.003 1.155 -15.424 755 HA2 GLY 98 2HA GLY 98 1.244 1.147 -12.563 756 HA3 GLY 98 3HA GLY 98 2.338 0.367 -13.704 757 H GLN 99 H GLN 99 3.156 1.572 -11.308 758 HA GLN 99 HA GLN 99 4.175 4.256 -11.733 759 HB2 GLN 99 2HB GLN 99 4.612 2.172 -9.571 760 HB3 GLN 99 3HB GLN 99 5.346 3.779 -9.526 761 HG2 GLN 99 2HG GLN 99 3.194 4.880 -9.481 762 HG3 GLN 99 3HG GLN 99 2.334 3.367 -9.781 763 HE21 GLN 99 2HE2 GLN 99 4.186 5.162 -7.304 764 HE22 GLN 99 1HE2 GLN 99 3.605 4.159 -5.972 765 H ASP 100 H ASP 100 6.422 4.878 -11.478 766 HA ASP 100 HA ASP 100 8.442 3.056 -12.669 767 HB2 ASP 100 2HB ASP 100 7.280 4.290 -14.498 768 HB3 ASP 100 3HB ASP 100 7.712 5.816 -13.726 769 H GLY 101 H GLY 101 10.637 3.992 -12.588 770 HA2 GLY 101 2HA GLY 101 12.372 5.183 -11.542 771 HA3 GLY 101 3HA GLY 101 11.234 5.962 -10.449 772 H ILE 102 H ILE 102 13.623 5.000 -9.532 773 HA ILE 102 HA ILE 102 12.901 2.665 -7.850 774 HB ILE 102 HB ILE 102 14.158 1.895 -9.821 775 HG12 ILE 102 2HG1 ILE 102 15.664 1.563 -7.196 776 HG13 ILE 102 3HG1 ILE 102 14.188 0.716 -7.664 777 HG21 ILE 102 1HG2 ILE 102 15.606 3.924 -10.147 778 HG22 ILE 102 2HG2 ILE 102 16.557 3.428 -8.730 779 HG23 ILE 102 3HG2 ILE 102 16.495 2.406 -10.178 780 HD11 ILE 102 3HD1 ILE 102 16.056 -0.751 -8.015 781 HD12 ILE 102 1HD1 ILE 102 15.407 -0.288 -9.601 782 HD13 ILE 102 2HD1 ILE 102 16.907 0.456 -8.991 783 H GLY 103 H GLY 103 13.609 2.655 -5.817 784 HA2 GLY 103 2HA GLY 103 14.588 5.134 -4.623 785 HA3 GLY 103 3HA GLY 103 14.137 3.654 -3.776 786 H SER 104 H SER 104 16.266 5.183 -2.988 787 HA SER 104 HA SER 104 18.512 3.280 -3.240 788 HB2 SER 104 2HB SER 104 20.141 5.097 -3.464 789 HB3 SER 104 3HB SER 104 19.033 5.045 -4.843 790 HG SER 104 HG SER 104 19.338 7.183 -4.073 791 H LYS 105 H LYS 105 20.105 3.515 -1.544 792 HA LYS 105 HA LYS 105 19.037 4.592 1.036 793 HB2 LYS 105 2HB LYS 105 18.560 2.166 0.705 794 HB3 LYS 105 3HB LYS 105 20.293 1.855 0.563 795 HG2 LYS 105 2HG LYS 105 20.613 2.737 2.885 796 HG3 LYS 105 3HG LYS 105 18.867 2.982 3.020 797 HD2 LYS 105 2HD LYS 105 20.294 0.315 2.596 798 HD3 LYS 105 3HD LYS 105 19.616 0.902 4.121 799 HE2 LYS 105 2HE LYS 105 17.348 0.945 3.085 800 HE3 LYS 105 3HE LYS 105 18.025 0.303 1.583 801 HZ1 LYS 105 3HZ LYS 105 17.074 -1.454 2.941 802 HZ2 LYS 105 1HZ LYS 105 18.683 -1.693 2.804 803 HZ3 LYS 105 2HZ LYS 105 18.059 -1.107 4.197 804 H ALA 106 H ALA 106 20.463 5.608 2.289 805 HA ALA 106 HA ALA 106 23.374 5.577 1.604 806 HB1 ALA 106 1HB ALA 106 23.361 8.019 1.798 807 HB2 ALA 106 2HB ALA 106 22.196 7.496 0.570 808 HB3 ALA 106 3HB ALA 106 21.625 8.005 2.177 809 H GLU 107 H GLU 107 21.572 4.483 3.951 810 HA GLU 107 HA GLU 107 23.422 5.206 6.140 811 HB2 GLU 107 2HB GLU 107 21.586 6.862 6.235 812 HB3 GLU 107 3HB GLU 107 20.402 5.556 6.284 813 HG2 GLU 107 2HG GLU 107 21.258 4.822 8.471 814 HG3 GLU 107 3HG GLU 107 22.565 6.011 8.382 815 H LYS 108 H LYS 108 23.671 3.586 7.642 816 HA LYS 108 HA LYS 108 22.044 1.114 7.537 817 HB2 LYS 108 2HB LYS 108 23.864 0.882 5.843 818 HB3 LYS 108 3HB LYS 108 25.065 1.163 7.111 819 HG2 LYS 108 2HG LYS 108 24.299 -0.882 8.293 820 HG3 LYS 108 3HG LYS 108 23.053 -1.137 7.052 821 HD2 LYS 108 2HD LYS 108 24.822 -1.370 5.327 822 HD3 LYS 108 3HD LYS 108 26.068 -1.099 6.565 823 HE2 LYS 108 2HE LYS 108 25.271 -3.108 7.796 824 HE3 LYS 108 3HE LYS 108 24.038 -3.380 6.559 825 HZ1 LYS 108 3HZ LYS 108 26.007 -4.745 6.161 826 HZ2 LYS 108 1HZ LYS 108 25.832 -3.685 4.934 827 HZ3 LYS 108 2HZ LYS 108 26.972 -3.433 6.079 Start of MODEL 16 1 H1 MET 1 H1 MET 1 9.357 -7.450 21.157 2 H2 MET 1 H2 MET 1 9.000 -8.803 22.004 3 H3 MET 1 H3 MET 1 8.461 -7.331 22.524 4 HA MET 1 HA MET 1 7.646 -8.801 20.117 5 HB2 MET 1 2HB MET 1 6.687 -9.550 22.342 6 HB3 MET 1 3HB MET 1 5.908 -7.968 22.467 7 HG2 MET 1 2HG MET 1 4.689 -8.441 20.333 8 HG3 MET 1 3HG MET 1 5.521 -9.993 20.223 9 HE1 MET 1 1HE MET 1 3.726 -8.107 23.309 10 HE2 MET 1 2HE MET 1 2.722 -7.870 21.858 11 HE3 MET 1 3HE MET 1 2.137 -8.888 23.192 12 H ALA 2 H ALA 2 6.402 -7.778 18.581 13 HA ALA 2 HA ALA 2 6.589 -4.944 18.255 14 HB1 ALA 2 1HB ALA 2 5.148 -5.342 16.308 15 HB2 ALA 2 2HB ALA 2 6.399 -6.592 16.424 16 HB3 ALA 2 3HB ALA 2 4.729 -6.955 16.923 17 H GLU 3 H GLU 3 4.787 -3.444 17.954 18 HA GLU 3 HA GLU 3 2.450 -3.811 19.788 19 HB2 GLU 3 2HB GLU 3 4.251 -1.368 19.599 20 HB3 GLU 3 3HB GLU 3 2.710 -1.447 20.460 21 HG2 GLU 3 2HG GLU 3 3.628 -3.261 21.913 22 HG3 GLU 3 3HG GLU 3 5.193 -3.092 21.111 23 H SER 4 H SER 4 0.575 -2.827 19.246 24 HA SER 4 HA SER 4 -1.082 -2.108 17.876 25 HB2 SER 4 2HB SER 4 1.083 -0.082 17.313 26 HB3 SER 4 3HB SER 4 -0.631 0.146 16.877 27 HG SER 4 HG SER 4 -0.114 1.069 18.923 28 H SER 5 H SER 5 0.548 -4.183 16.610 29 HA SER 5 HA SER 5 0.552 -3.539 13.739 30 HB2 SER 5 2HB SER 5 1.839 -5.627 13.554 31 HB3 SER 5 3HB SER 5 2.557 -4.489 14.704 32 HG SER 5 HG SER 5 2.474 -6.606 15.582 33 H ASP 6 H ASP 6 -1.994 -4.057 15.255 34 HA ASP 6 HA ASP 6 -2.875 -6.549 14.105 35 HB2 ASP 6 2HB ASP 6 -3.387 -5.899 16.437 36 HB3 ASP 6 3HB ASP 6 -4.391 -4.574 15.845 37 H LYS 7 H LYS 7 -2.338 -5.380 11.952 38 HA LYS 7 HA LYS 7 -4.886 -4.942 10.552 39 HB2 LYS 7 2HB LYS 7 -3.805 -3.280 9.085 40 HB3 LYS 7 3HB LYS 7 -4.147 -2.711 10.704 41 HG2 LYS 7 2HG LYS 7 -1.444 -3.908 10.393 42 HG3 LYS 7 3HG LYS 7 -1.726 -2.494 9.366 43 HD2 LYS 7 2HD LYS 7 -2.454 -1.218 11.365 44 HD3 LYS 7 3HD LYS 7 -2.128 -2.627 12.384 45 HE2 LYS 7 2HE LYS 7 0.239 -2.567 11.858 46 HE3 LYS 7 3HE LYS 7 -0.016 -1.393 10.562 47 HZ1 LYS 7 3HZ LYS 7 -0.671 0.249 12.197 48 HZ2 LYS 7 1HZ LYS 7 -0.454 -0.818 13.445 49 HZ3 LYS 7 2HZ LYS 7 0.825 -0.303 12.561 50 H LEU 8 H LEU 8 -4.543 -5.259 8.212 51 HA LEU 8 HA LEU 8 -2.569 -7.421 7.555 52 HB2 LEU 8 2HB LEU 8 -5.077 -6.374 6.149 53 HB3 LEU 8 3HB LEU 8 -4.112 -7.729 5.585 54 HG LEU 8 HG LEU 8 -5.656 -7.720 8.221 55 HD11 LEU 8 1HD1 LEU 8 -6.332 -8.900 5.498 56 HD12 LEU 8 2HD1 LEU 8 -7.275 -9.110 6.997 57 HD13 LEU 8 3HD1 LEU 8 -7.115 -7.501 6.258 58 HD21 LEU 8 3HD2 LEU 8 -4.296 -9.945 6.645 59 HD22 LEU 8 1HD2 LEU 8 -3.760 -9.282 8.206 60 HD23 LEU 8 2HD2 LEU 8 -5.295 -10.162 8.104 61 H TYR 9 H TYR 9 -3.288 -4.060 6.907 62 HA TYR 9 HA TYR 9 -1.561 -4.100 4.482 63 HB2 TYR 9 2HB TYR 9 -4.322 -2.876 4.727 64 HB3 TYR 9 3HB TYR 9 -3.277 -2.796 3.311 65 HD1 TYR 9 HD1 TYR 9 -2.404 -5.509 2.862 66 HD2 TYR 9 HD2 TYR 9 -6.229 -4.080 4.193 67 HE1 TYR 9 HE1 TYR 9 -3.482 -7.546 1.911 68 HE2 TYR 9 HE2 TYR 9 -7.315 -6.133 3.276 69 HH TYR 9 HH TYR 9 -5.444 -8.640 1.526 70 H ARG 10 H ARG 10 -0.734 -2.117 3.849 71 HA ARG 10 HA ARG 10 -0.887 0.189 5.706 72 HB2 ARG 10 2HB ARG 10 1.053 -1.037 6.451 73 HB3 ARG 10 3HB ARG 10 1.548 -1.348 4.805 74 HG2 ARG 10 2HG ARG 10 3.100 0.180 5.710 75 HG3 ARG 10 3HG ARG 10 2.161 1.068 4.523 76 HD2 ARG 10 2HD ARG 10 0.711 1.909 6.436 77 HD3 ARG 10 3HD ARG 10 1.818 1.110 7.562 78 HE ARG 10 HE ARG 10 3.390 2.877 6.004 79 HH11 ARG 10 1HH2 ARG 10 0.836 3.231 8.460 80 HH12 ARG 10 2HH2 ARG 10 1.166 4.964 8.554 81 HH21 ARG 10 1HH1 ARG 10 3.813 4.913 6.453 82 HH22 ARG 10 2HH1 ARG 10 2.717 5.903 7.440 83 H VAL 11 H VAL 11 -0.671 2.196 4.640 84 HA VAL 11 HA VAL 11 0.342 2.319 1.849 85 HB VAL 11 HB VAL 11 -2.185 2.098 1.886 86 HG11 VAL 11 1HG1 VAL 11 -2.172 5.002 2.829 87 HG12 VAL 11 2HG1 VAL 11 -3.573 3.991 2.426 88 HG13 VAL 11 3HG1 VAL 11 -2.587 3.638 3.858 89 HG21 VAL 11 3HG2 VAL 11 -0.838 3.152 -0.022 90 HG22 VAL 11 1HG2 VAL 11 -2.506 3.730 0.108 91 HG23 VAL 11 2HG2 VAL 11 -1.155 4.724 0.697 92 H GLU 12 H GLU 12 1.464 4.191 1.369 93 HA GLU 12 HA GLU 12 1.222 6.613 2.964 94 HB2 GLU 12 2HB GLU 12 3.492 6.618 3.891 95 HB3 GLU 12 3HB GLU 12 2.611 5.229 4.500 96 HG2 GLU 12 2HG GLU 12 3.768 3.764 2.841 97 HG3 GLU 12 3HG GLU 12 4.659 5.169 2.241 98 H TYR 13 H TYR 13 2.292 8.349 2.294 99 HA TYR 13 HA TYR 13 3.741 8.361 -0.259 100 HB2 TYR 13 2HB TYR 13 3.571 10.469 1.915 101 HB3 TYR 13 3HB TYR 13 4.137 10.693 0.264 102 HD1 TYR 13 HD1 TYR 13 1.944 9.166 -1.224 103 HD2 TYR 13 HD2 TYR 13 1.725 11.889 2.104 104 HE1 TYR 13 HE1 TYR 13 -0.256 9.993 -2.052 105 HE2 TYR 13 HE2 TYR 13 -0.500 12.685 1.306 106 HH TYR 13 HH TYR 13 -1.949 11.497 -1.754 107 H ALA 14 H ALA 14 5.762 7.739 -0.437 108 HA ALA 14 HA ALA 14 7.254 6.665 1.724 109 HB1 ALA 14 1HB ALA 14 7.939 7.296 -1.175 110 HB2 ALA 14 2HB ALA 14 8.941 6.293 -0.103 111 HB3 ALA 14 3HB ALA 14 7.295 5.779 -0.544 112 H LYS 15 H LYS 15 8.426 7.692 3.204 113 HA LYS 15 HA LYS 15 9.379 10.433 2.869 114 HB2 LYS 15 2HB LYS 15 8.354 9.488 4.956 115 HB3 LYS 15 3HB LYS 15 9.751 8.435 5.145 116 HG2 LYS 15 2HG LYS 15 9.936 10.309 6.637 117 HG3 LYS 15 3HG LYS 15 11.216 10.431 5.432 118 HD2 LYS 15 2HD LYS 15 9.941 12.171 4.221 119 HD3 LYS 15 3HD LYS 15 8.573 11.965 5.340 120 HE2 LYS 15 2HE LYS 15 10.054 12.638 7.234 121 HE3 LYS 15 3HE LYS 15 11.387 12.879 6.099 122 HZ1 LYS 15 3HZ LYS 15 10.250 14.969 6.591 123 HZ2 LYS 15 1HZ LYS 15 10.049 14.615 5.013 124 HZ3 LYS 15 2HZ LYS 15 8.821 14.385 6.067 125 H SER 16 H SER 16 10.874 7.272 2.700 126 HA SER 16 HA SER 16 13.390 8.433 1.720 127 HB2 SER 16 2HB SER 16 13.615 8.257 4.228 128 HB3 SER 16 3HB SER 16 13.475 6.494 4.053 129 HG SER 16 HG SER 16 15.673 7.364 4.024 130 H GLY 17 H GLY 17 14.661 6.976 0.543 131 HA2 GLY 17 2HA GLY 17 13.221 4.809 -0.804 132 HA3 GLY 17 3HA GLY 17 14.832 5.423 -1.189 133 H ARG 18 H ARG 18 13.177 3.748 1.490 134 HA ARG 18 HA ARG 18 15.454 1.814 1.789 135 HB2 ARG 18 2HB ARG 18 13.942 3.258 4.007 136 HB3 ARG 18 3HB ARG 18 15.178 2.027 4.258 137 HG2 ARG 18 2HG ARG 18 15.664 4.728 2.936 138 HG3 ARG 18 3HG ARG 18 16.022 4.318 4.610 139 HD2 ARG 18 2HD ARG 18 17.632 2.611 3.900 140 HD3 ARG 18 3HD ARG 18 17.275 2.917 2.204 141 HE ARG 18 HE ARG 18 18.800 4.646 4.060 142 HH11 ARG 18 1HH2 ARG 18 17.496 4.375 0.790 143 HH12 ARG 18 2HH2 ARG 18 18.549 5.634 0.202 144 HH21 ARG 18 1HH1 ARG 18 20.066 6.245 3.217 145 HH22 ARG 18 2HH1 ARG 18 19.940 6.669 1.536 146 H ALA 19 H ALA 19 12.834 1.539 0.451 147 HA ALA 19 HA ALA 19 12.003 -0.988 1.787 148 HB1 ALA 19 1HB ALA 19 10.285 0.709 2.286 149 HB2 ALA 19 2HB ALA 19 10.133 1.075 0.549 150 HB3 ALA 19 3HB ALA 19 9.670 -0.520 1.166 151 H SER 20 H SER 20 11.662 -2.693 0.420 152 HA SER 20 HA SER 20 12.389 -2.315 -2.457 153 HB2 SER 20 2HB SER 20 12.805 -4.742 -0.690 154 HB3 SER 20 3HB SER 20 13.222 -4.606 -2.410 155 HG SER 20 HG SER 20 15.024 -4.193 -1.026 156 H CYS 21 HN CYS 21 11.163 -3.273 -4.046 157 HA CYS 21 HA CYS 21 8.384 -3.787 -3.280 158 HB2 CYS 21 2HB CYS 21 9.100 -2.319 -5.158 159 HB3 CYS 21 3HB CYS 21 9.721 -3.753 -5.998 160 H LYS 22 H LYS 22 7.710 -5.710 -2.697 161 HA LYS 22 HA LYS 22 9.242 -8.130 -3.116 162 HB2 LYS 22 2HB LYS 22 6.426 -7.785 -2.054 163 HB3 LYS 22 3HB LYS 22 7.422 -9.207 -1.824 164 HG2 LYS 22 2HG LYS 22 8.059 -6.413 -0.797 165 HG3 LYS 22 3HG LYS 22 7.245 -7.632 0.142 166 HD2 LYS 22 2HD LYS 22 10.062 -7.886 -0.996 167 HD3 LYS 22 3HD LYS 22 9.670 -7.404 0.664 168 HE2 LYS 22 2HE LYS 22 8.511 -9.583 1.027 169 HE3 LYS 22 3HE LYS 22 8.961 -10.087 -0.607 170 HZ1 LYS 22 3HZ LYS 22 11.304 -9.895 0.050 171 HZ2 LYS 22 1HZ LYS 22 10.886 -9.436 1.563 172 HZ3 LYS 22 2HZ LYS 22 10.528 -10.937 1.034 173 H LYS 23 H LYS 23 7.086 -6.651 -5.185 174 HA LYS 23 HA LYS 23 6.192 -9.206 -6.459 175 HB2 LYS 23 2HB LYS 23 4.409 -7.715 -5.749 176 HB3 LYS 23 3HB LYS 23 5.096 -6.393 -6.692 177 HG2 LYS 23 2HG LYS 23 3.150 -7.377 -7.786 178 HG3 LYS 23 3HG LYS 23 4.593 -7.575 -8.780 179 HD2 LYS 23 2HD LYS 23 4.779 -9.940 -8.107 180 HD3 LYS 23 3HD LYS 23 3.422 -9.748 -6.974 181 HE2 LYS 23 2HE LYS 23 1.923 -9.198 -8.836 182 HE3 LYS 23 3HE LYS 23 3.263 -9.296 -9.987 183 HZ1 LYS 23 3HZ LYS 23 3.468 -11.659 -9.462 184 HZ2 LYS 23 1HZ LYS 23 2.259 -11.581 -8.363 185 HZ3 LYS 23 2HZ LYS 23 1.942 -11.345 -9.945 186 H CYS 24 HN CYS 24 7.499 -6.001 -7.516 187 HA CYS 24 HA CYS 24 8.337 -7.326 -10.028 188 HB2 CYS 24 2HB CYS 24 8.431 -5.304 -11.092 189 HB3 CYS 24 3HB CYS 24 6.934 -5.302 -10.167 190 H SER 25 H SER 25 9.754 -6.865 -7.118 191 HA SER 25 HA SER 25 11.770 -7.151 -6.278 192 HB2 SER 25 2HB SER 25 13.378 -8.538 -7.281 193 HB3 SER 25 3HB SER 25 11.772 -9.126 -7.717 194 HG SER 25 HG SER 25 12.147 -7.743 -9.702 195 H GLU 26 H GLU 26 11.214 -4.571 -7.785 196 HA GLU 26 HA GLU 26 13.970 -3.458 -7.983 197 HB2 GLU 26 2HB GLU 26 11.269 -2.161 -8.457 198 HB3 GLU 26 3HB GLU 26 12.831 -1.434 -8.799 199 HG2 GLU 26 2HG GLU 26 11.793 -3.922 -10.221 200 HG3 GLU 26 3HG GLU 26 11.558 -2.279 -10.776 201 H SER 27 H SER 27 13.713 -0.940 -7.018 202 HA SER 27 HA SER 27 12.943 -1.225 -4.141 203 HB2 SER 27 2HB SER 27 15.350 -1.092 -4.469 204 HB3 SER 27 3HB SER 27 15.110 0.493 -5.281 205 HG SER 27 HG SER 27 15.647 0.559 -2.965 206 H ILE 28 H ILE 28 12.119 0.591 -3.111 207 HA ILE 28 HA ILE 28 10.314 1.984 -4.982 208 HB ILE 28 HB ILE 28 9.982 1.511 -2.007 209 HG12 ILE 28 2HG1 ILE 28 8.595 0.023 -4.282 210 HG13 ILE 28 3HG1 ILE 28 9.997 -0.614 -3.426 211 HG21 ILE 28 1HG2 ILE 28 8.004 2.468 -4.142 212 HG22 ILE 28 2HG2 ILE 28 7.618 2.119 -2.455 213 HG23 ILE 28 3HG2 ILE 28 8.683 3.467 -2.842 214 HD11 ILE 28 3HD1 ILE 28 8.069 -1.609 -2.462 215 HD12 ILE 28 1HD1 ILE 28 8.765 -0.499 -1.275 216 HD13 ILE 28 2HD1 ILE 28 7.297 -0.046 -2.172 217 HA PRO 29 HA PRO 29 12.672 5.681 -3.918 218 HB2 PRO 29 2HB PRO 29 11.518 7.499 -5.575 219 HB3 PRO 29 3HB PRO 29 12.505 6.144 -6.200 220 HG2 PRO 29 2HG PRO 29 9.480 6.265 -5.926 221 HG3 PRO 29 3HG PRO 29 10.430 5.830 -7.375 222 HD2 PRO 29 2HD PRO 29 9.423 3.944 -5.686 223 HD3 PRO 29 3HD PRO 29 11.019 3.726 -6.464 224 H LYS 30 H LYS 30 12.429 7.719 -2.864 225 HA LYS 30 HA LYS 30 10.020 8.098 -1.232 226 HB2 LYS 30 2HB LYS 30 11.129 9.903 -0.188 227 HB3 LYS 30 3HB LYS 30 12.214 8.527 -0.281 228 HG2 LYS 30 2HG LYS 30 13.469 9.541 -2.104 229 HG3 LYS 30 3HG LYS 30 12.342 10.907 -2.190 230 HD2 LYS 30 2HD LYS 30 13.942 10.201 0.305 231 HD3 LYS 30 3HD LYS 30 14.524 11.328 -0.922 232 HE2 LYS 30 2HE LYS 30 12.893 12.940 -0.470 233 HE3 LYS 30 3HE LYS 30 11.781 11.786 0.266 234 HZ1 LYS 30 3HZ LYS 30 12.903 13.231 1.903 235 HZ2 LYS 30 1HZ LYS 30 13.143 11.643 2.189 236 HZ3 LYS 30 2HZ LYS 30 14.347 12.561 1.532 237 H ASP 31 H ASP 31 8.990 10.238 -1.098 238 HA ASP 31 HA ASP 31 7.423 11.576 -1.987 239 HB2 ASP 31 2HB ASP 31 9.458 12.913 -2.484 240 HB3 ASP 31 3HB ASP 31 9.465 12.260 -4.121 241 H SER 32 H SER 32 7.084 8.970 -2.536 242 HA SER 32 HA SER 32 5.405 8.957 -4.957 243 HB2 SER 32 2HB SER 32 7.797 7.964 -5.389 244 HB3 SER 32 3HB SER 32 7.228 6.600 -4.404 245 HG SER 32 HG SER 32 6.699 6.185 -6.549 246 H LEU 33 H LEU 33 4.029 6.872 -4.947 247 HA LEU 33 HA LEU 33 2.973 6.590 -2.177 248 HB2 LEU 33 2HB LEU 33 1.474 7.558 -3.906 249 HB3 LEU 33 3HB LEU 33 1.641 6.076 -4.851 250 HG LEU 33 HG LEU 33 0.659 4.806 -2.882 251 HD11 LEU 33 1HD1 LEU 33 -0.049 7.600 -1.895 252 HD12 LEU 33 2HD1 LEU 33 -0.694 6.076 -1.261 253 HD13 LEU 33 3HD1 LEU 33 1.019 6.451 -1.071 254 HD21 LEU 33 3HD2 LEU 33 -1.088 7.019 -4.009 255 HD22 LEU 33 1HD2 LEU 33 -0.672 5.503 -4.862 256 HD23 LEU 33 2HD2 LEU 33 -1.633 5.447 -3.372 257 H ARG 34 H ARG 34 3.002 4.703 -1.132 258 HA ARG 34 HA ARG 34 3.485 2.159 -2.565 259 HB2 ARG 34 2HB ARG 34 5.352 1.525 -1.230 260 HB3 ARG 34 3HB ARG 34 5.685 3.050 -2.049 261 HG2 ARG 34 2HG ARG 34 5.319 4.281 0.070 262 HG3 ARG 34 3HG ARG 34 4.986 2.743 0.904 263 HD2 ARG 34 2HD ARG 34 7.247 1.922 0.322 264 HD3 ARG 34 3HD ARG 34 7.563 3.421 -0.572 265 HE ARG 34 HE ARG 34 6.887 3.808 2.269 266 HH11 ARG 34 1HH2 ARG 34 9.612 3.494 0.044 267 HH12 ARG 34 2HH2 ARG 34 10.656 4.339 1.163 268 HH21 ARG 34 1HH1 ARG 34 8.222 4.661 3.568 269 HH22 ARG 34 2HH1 ARG 34 9.959 4.759 3.230 270 H MET 35 H MET 35 3.172 0.313 -1.316 271 HA MET 35 HA MET 35 1.376 0.577 1.015 272 HB2 MET 35 2HB MET 35 0.836 -0.999 -1.542 273 HB3 MET 35 3HB MET 35 -0.005 -1.315 -0.014 274 HG2 MET 35 2HG MET 35 -0.782 1.013 0.050 275 HG3 MET 35 3HG MET 35 -0.004 1.328 -1.506 276 HE1 MET 35 3HE MET 35 -3.901 -1.021 -0.727 277 HE2 MET 35 1HE MET 35 -2.343 -1.695 -0.183 278 HE3 MET 35 2HE MET 35 -2.921 -0.144 0.473 279 H ALA 36 H ALA 36 1.116 -1.467 2.191 280 HA ALA 36 HA ALA 36 3.272 -3.410 1.766 281 HB1 ALA 36 1HB ALA 36 3.325 -2.788 4.591 282 HB2 ALA 36 2HB ALA 36 4.639 -2.763 3.409 283 HB3 ALA 36 3HB ALA 36 3.641 -1.320 3.645 284 H ILE 37 H ILE 37 3.080 -5.330 3.161 285 HA ILE 37 HA ILE 37 0.298 -5.799 4.140 286 HB ILE 37 HB ILE 37 1.883 -7.219 2.098 287 HG12 ILE 37 2HG1 ILE 37 -1.062 -7.332 2.878 288 HG13 ILE 37 3HG1 ILE 37 -0.349 -6.023 1.938 289 HG21 ILE 37 1HG2 ILE 37 0.420 -8.918 4.143 290 HG22 ILE 37 2HG2 ILE 37 1.111 -9.453 2.578 291 HG23 ILE 37 3HG2 ILE 37 2.180 -8.889 3.853 292 HD11 ILE 37 3HD1 ILE 37 -0.462 -8.930 1.069 293 HD12 ILE 37 1HD1 ILE 37 -1.418 -7.578 0.427 294 HD13 ILE 37 2HD1 ILE 37 0.337 -7.614 0.177 295 H MET 38 H MET 38 -0.008 -6.848 5.982 296 HA MET 38 HA MET 38 2.384 -7.043 7.701 297 HB2 MET 38 2HB MET 38 -0.567 -7.055 8.351 298 HB3 MET 38 3HB MET 38 0.722 -6.880 9.537 299 HG2 MET 38 2HG MET 38 0.474 -4.829 7.323 300 HG3 MET 38 3HG MET 38 -0.682 -4.829 8.622 301 HE1 MET 38 3HE MET 38 3.178 -5.820 9.206 302 HE2 MET 38 1HE MET 38 2.970 -4.907 7.700 303 HE3 MET 38 2HE MET 38 3.856 -4.182 9.078 304 H VAL 39 H VAL 39 3.363 -8.926 7.544 305 HA VAL 39 HA VAL 39 1.719 -11.401 8.011 306 HB VAL 39 HB VAL 39 2.659 -11.381 5.790 307 HG11 VAL 39 1HG1 VAL 39 5.412 -11.361 7.089 308 HG12 VAL 39 2HG1 VAL 39 5.040 -11.588 5.368 309 HG13 VAL 39 3HG1 VAL 39 4.697 -10.034 6.142 310 HG21 VAL 39 3HG2 VAL 39 4.056 -13.475 7.473 311 HG22 VAL 39 1HG2 VAL 39 2.345 -13.525 6.977 312 HG23 VAL 39 2HG2 VAL 39 3.627 -13.566 5.760 313 H GLN 40 H GLN 40 2.323 -12.867 9.498 314 HA GLN 40 HA GLN 40 4.003 -12.034 11.715 315 HB2 GLN 40 2HB GLN 40 3.529 -14.388 12.515 316 HB3 GLN 40 3HB GLN 40 2.145 -13.317 12.306 317 HG2 GLN 40 2HG GLN 40 1.519 -14.405 10.207 318 HG3 GLN 40 3HG GLN 40 2.973 -15.401 10.234 319 HE21 GLN 40 2HE2 GLN 40 -0.122 -14.790 11.994 320 HE22 GLN 40 1HE2 GLN 40 -0.174 -16.398 12.701 321 H SER 41 H SER 41 6.130 -12.343 12.028 322 HA SER 41 HA SER 41 7.651 -13.517 9.817 323 HB2 SER 41 2HB SER 41 8.229 -11.309 10.674 324 HB3 SER 41 3HB SER 41 8.585 -12.023 12.257 325 HG SER 41 HG SER 41 9.999 -12.194 9.836 326 HA PRO 42 HA PRO 42 8.951 -17.091 12.133 327 HB2 PRO 42 2HB PRO 42 10.910 -17.404 9.874 328 HB3 PRO 42 3HB PRO 42 9.802 -18.619 10.574 329 HG2 PRO 42 2HG PRO 42 9.256 -17.446 8.178 330 HG3 PRO 42 3HG PRO 42 7.947 -17.741 9.370 331 HD2 PRO 42 2HD PRO 42 9.467 -15.159 8.864 332 HD3 PRO 42 3HD PRO 42 7.705 -15.431 9.032 333 H MET 43 H MET 43 10.825 -14.341 11.230 334 HA MET 43 HA MET 43 13.221 -15.196 12.814 335 HB2 MET 43 2HB MET 43 12.906 -13.305 10.480 336 HB3 MET 43 3HB MET 43 14.380 -13.415 11.436 337 HG2 MET 43 2HG MET 43 14.981 -15.462 10.648 338 HG3 MET 43 3HG MET 43 13.330 -16.028 10.443 339 HE1 MET 43 3HE MET 43 11.804 -14.149 8.726 340 HE2 MET 43 1HE MET 43 12.146 -14.730 7.077 341 HE3 MET 43 2HE MET 43 11.908 -15.888 8.407 342 H PHE 44 H PHE 44 10.738 -12.732 12.569 343 HA PHE 44 HA PHE 44 12.005 -11.112 14.738 344 HB2 PHE 44 2HB PHE 44 11.820 -9.867 12.704 345 HB3 PHE 44 3HB PHE 44 10.155 -10.354 12.466 346 HD1 PHE 44 HD2 PHE 44 12.378 -8.324 14.693 347 HD2 PHE 44 HD1 PHE 44 8.343 -9.134 13.403 348 HE1 PHE 44 HE2 PHE 44 11.581 -6.300 15.896 349 HE2 PHE 44 HE1 PHE 44 7.562 -7.083 14.545 350 HZ PHE 44 HZ PHE 44 9.173 -5.673 15.822 351 H ASP 45 H ASP 45 10.653 -10.210 16.332 352 HA ASP 45 HA ASP 45 8.796 -12.234 17.362 353 HB2 ASP 45 2HB ASP 45 10.756 -11.410 18.642 354 HB3 ASP 45 3HB ASP 45 10.024 -9.807 18.709 355 H GLY 46 H GLY 46 7.367 -11.324 15.424 356 HA2 GLY 46 2HA GLY 46 4.926 -10.464 16.244 357 HA3 GLY 46 3HA GLY 46 5.806 -8.946 16.044 358 H LYS 47 H LYS 47 4.475 -8.297 14.388 359 HA LYS 47 HA LYS 47 4.413 -9.801 11.830 360 HB2 LYS 47 2HB LYS 47 2.921 -7.317 12.713 361 HB3 LYS 47 3HB LYS 47 2.644 -8.194 11.222 362 HG2 LYS 47 2HG LYS 47 2.386 -9.826 13.739 363 HG3 LYS 47 3HG LYS 47 1.237 -8.511 13.591 364 HD2 LYS 47 2HD LYS 47 1.652 -10.750 11.586 365 HD3 LYS 47 3HD LYS 47 0.348 -10.660 12.760 366 HE2 LYS 47 2HE LYS 47 0.810 -8.698 10.477 367 HE3 LYS 47 3HE LYS 47 -0.331 -10.038 10.444 368 HZ1 LYS 47 3HZ LYS 47 -0.504 -7.703 12.301 369 HZ2 LYS 47 1HZ LYS 47 -1.458 -7.969 11.008 370 HZ3 LYS 47 2HZ LYS 47 -1.531 -8.982 12.292 371 H VAL 48 H VAL 48 5.184 -8.943 9.927 372 HA VAL 48 HA VAL 48 6.796 -6.439 10.083 373 HB VAL 48 HB VAL 48 8.417 -7.417 8.536 374 HG11 VAL 48 1HG1 VAL 48 8.124 -9.013 11.113 375 HG12 VAL 48 2HG1 VAL 48 9.619 -8.759 10.192 376 HG13 VAL 48 3HG1 VAL 48 8.827 -7.387 10.985 377 HG21 VAL 48 3HG2 VAL 48 7.047 -10.088 9.070 378 HG22 VAL 48 1HG2 VAL 48 7.107 -9.239 7.513 379 HG23 VAL 48 2HG2 VAL 48 8.597 -9.853 8.240 380 HA PRO 49 HA PRO 49 4.576 -5.416 6.392 381 HB2 PRO 49 2HB PRO 49 5.839 -3.146 5.575 382 HB3 PRO 49 3HB PRO 49 4.891 -3.222 7.090 383 HG2 PRO 49 2HG PRO 49 7.895 -3.484 6.751 384 HG3 PRO 49 3HG PRO 49 6.995 -2.493 7.940 385 HD2 PRO 49 2HD PRO 49 8.022 -4.989 8.506 386 HD3 PRO 49 3HD PRO 49 6.539 -4.351 9.276 387 H HIS 50 H HIS 50 4.585 -6.380 4.462 388 HA HIS 50 HA HIS 50 7.088 -6.638 2.837 389 HB2 HIS 50 2HB HIS 50 4.343 -7.939 2.776 390 HB3 HIS 50 3HB HIS 50 5.392 -7.965 1.370 391 HD2 HIS 50 HD2 HIS 50 6.771 -8.391 4.952 392 HE1 HIS 50 HE1 HIS 50 7.170 -12.162 3.011 393 HE2 HIS 50 HE2 HIS 50 7.774 -10.830 5.094 394 H TRP 51 H TRP 51 7.495 -4.674 1.956 395 HA TRP 51 HA TRP 51 5.380 -2.852 1.200 396 HB2 TRP 51 2HB TRP 51 8.368 -2.711 0.720 397 HB3 TRP 51 3HB TRP 51 7.213 -1.410 0.460 398 HD1 TRP 51 HD1 TRP 51 9.203 -3.115 3.152 399 HE1 TRP 51 HE1 TRP 51 8.930 -1.887 5.382 400 HE3 TRP 51 HE3 TRP 51 5.423 0.119 1.850 401 HZ2 TRP 51 HZ2 TRP 51 7.182 0.090 6.522 402 HZ3 TRP 51 HZ3 TRP 51 4.405 1.595 3.604 403 HH2 TRP 51 HH2 TRP 51 5.306 1.604 5.907 404 H TYR 52 H TYR 52 4.831 -2.116 -0.856 405 HA TYR 52 HA TYR 52 6.295 -3.038 -3.207 406 HB2 TYR 52 2HB TYR 52 3.374 -3.346 -3.580 407 HB3 TYR 52 3HB TYR 52 4.762 -4.197 -4.270 408 HD1 TYR 52 HD1 TYR 52 2.901 -4.077 -0.957 409 HD2 TYR 52 HD2 TYR 52 4.919 -6.403 -3.965 410 HE1 TYR 52 HE1 TYR 52 2.226 -6.190 0.208 411 HE2 TYR 52 HE2 TYR 52 4.215 -8.500 -2.820 412 HH TYR 52 HH TYR 52 2.333 -8.485 0.207 413 H HIS 53 H HIS 53 5.754 -1.745 -5.115 414 HA HIS 53 HA HIS 53 5.028 1.032 -4.720 415 HB2 HIS 53 2HB HIS 53 4.697 -0.649 -7.239 416 HB3 HIS 53 3HB HIS 53 4.647 1.089 -7.153 417 HD2 HIS 53 HD2 HIS 53 6.969 2.407 -6.545 418 HE1 HIS 53 HE1 HIS 53 9.481 -0.618 -8.184 419 HE2 HIS 53 HE2 HIS 53 9.356 1.821 -7.499 420 H PHE 54 H PHE 54 2.970 2.122 -5.300 421 HA PHE 54 HA PHE 54 0.688 1.054 -4.156 422 HB2 PHE 54 2HB PHE 54 0.726 3.364 -4.625 423 HB3 PHE 54 3HB PHE 54 1.005 3.119 -6.343 424 HD1 PHE 54 HD1 PHE 54 -1.606 2.521 -3.662 425 HD2 PHE 54 HD2 PHE 54 -0.794 2.996 -7.875 426 HE1 PHE 54 HE1 PHE 54 -4.032 2.400 -4.155 427 HE2 PHE 54 HE2 PHE 54 -3.229 2.911 -8.347 428 HZ PHE 54 HZ PHE 54 -4.844 2.602 -6.491 429 H SER 55 H SER 55 1.462 0.845 -7.703 430 HA SER 55 HA SER 55 -0.996 -0.578 -8.311 431 HB2 SER 55 2HB SER 55 1.519 -0.200 -9.968 432 HB3 SER 55 3HB SER 55 -0.040 -0.807 -10.554 433 HG SER 55 HG SER 55 -0.970 1.203 -9.951 434 H CYS 56 HN CYS 56 2.327 -1.522 -7.503 435 HA CYS 56 HA CYS 56 2.187 -4.190 -8.377 436 HB2 CYS 56 2HB CYS 56 3.886 -2.802 -6.308 437 HB3 CYS 56 3HB CYS 56 4.109 -4.484 -6.764 438 H PHE 57 H PHE 57 1.202 -2.766 -5.297 439 HA PHE 57 HA PHE 57 0.595 -5.043 -3.739 440 HB2 PHE 57 2HB PHE 57 0.456 -2.744 -2.959 441 HB3 PHE 57 3HB PHE 57 -0.910 -2.425 -4.022 442 HD1 PHE 57 HD2 PHE 57 -3.098 -3.670 -3.676 443 HD2 PHE 57 HD1 PHE 57 0.113 -3.767 -0.798 444 HE1 PHE 57 HE2 PHE 57 -4.659 -4.550 -1.980 445 HE2 PHE 57 HE1 PHE 57 -1.495 -4.510 0.939 446 HZ PHE 57 HZ PHE 57 -3.868 -4.962 0.339 447 H TRP 58 H TRP 58 -1.497 -3.403 -6.176 448 HA TRP 58 HA TRP 58 -3.585 -5.388 -5.945 449 HB2 TRP 58 2HB TRP 58 -3.217 -3.348 -8.148 450 HB3 TRP 58 3HB TRP 58 -4.695 -4.160 -7.648 451 HD1 TRP 58 HD1 TRP 58 -2.586 -1.179 -6.999 452 HE1 TRP 58 HE1 TRP 58 -3.416 0.242 -5.057 453 HE3 TRP 58 HE3 TRP 58 -6.275 -4.293 -5.246 454 HZ2 TRP 58 HZ2 TRP 58 -5.453 0.066 -2.982 455 HZ3 TRP 58 HZ3 TRP 58 -7.637 -3.621 -3.310 456 HH2 TRP 58 HH2 TRP 58 -7.219 -1.448 -2.166 457 H LYS 59 H LYS 59 -0.759 -5.087 -8.062 458 HA LYS 59 HA LYS 59 -1.505 -7.251 -9.865 459 HB2 LYS 59 2HB LYS 59 1.193 -6.061 -9.153 460 HB3 LYS 59 3HB LYS 59 0.970 -7.334 -10.349 461 HG2 LYS 59 2HG LYS 59 -0.520 -5.896 -11.684 462 HG3 LYS 59 3HG LYS 59 -0.305 -4.575 -10.537 463 HD2 LYS 59 2HD LYS 59 1.902 -5.847 -12.226 464 HD3 LYS 59 3HD LYS 59 1.112 -4.288 -12.535 465 HE2 LYS 59 2HE LYS 59 1.899 -3.481 -10.299 466 HE3 LYS 59 3HE LYS 59 2.750 -5.010 -10.067 467 HZ1 LYS 59 3HZ LYS 59 4.137 -4.462 -11.981 468 HZ2 LYS 59 1HZ LYS 59 3.377 -3.019 -12.164 469 HZ3 LYS 59 2HZ LYS 59 4.231 -3.334 -10.792 470 H VAL 60 H VAL 60 -0.276 -7.301 -6.543 471 HA VAL 60 HA VAL 60 0.441 -10.119 -6.582 472 HB VAL 60 HB VAL 60 -0.760 -8.668 -4.208 473 HG11 VAL 60 1HG1 VAL 60 1.169 -11.025 -4.410 474 HG12 VAL 60 2HG1 VAL 60 0.695 -10.224 -2.900 475 HG13 VAL 60 3HG1 VAL 60 -0.511 -11.089 -3.836 476 HG21 VAL 60 3HG2 VAL 60 1.572 -8.208 -3.494 477 HG22 VAL 60 1HG2 VAL 60 2.155 -8.732 -5.092 478 HG23 VAL 60 2HG2 VAL 60 1.109 -7.304 -4.909 479 H GLY 61 H GLY 61 -2.650 -8.507 -6.758 480 HA2 GLY 61 2HA GLY 61 -4.670 -9.515 -7.360 481 HA3 GLY 61 3HA GLY 61 -4.096 -11.091 -6.814 482 H HIS 62 H HIS 62 -3.545 -8.612 -4.477 483 HA HIS 62 HA HIS 62 -5.628 -9.582 -2.671 484 HB2 HIS 62 2HB HIS 62 -3.498 -7.444 -2.520 485 HB3 HIS 62 3HB HIS 62 -4.842 -7.422 -1.385 486 HD2 HIS 62 HD2 HIS 62 -1.802 -9.599 -2.320 487 HE1 HIS 62 HE1 HIS 62 -3.340 -11.118 1.354 488 HE2 HIS 62 HE2 HIS 62 -1.441 -11.294 -0.334 489 H SER 63 H SER 63 -7.390 -8.497 -1.889 490 HA SER 63 HA SER 63 -8.343 -6.035 -3.224 491 HB2 SER 63 2HB SER 63 -9.322 -7.965 -4.481 492 HB3 SER 63 3HB SER 63 -10.067 -8.525 -2.967 493 HG SER 63 HG SER 63 -11.489 -7.203 -4.212 494 H ILE 64 H ILE 64 -9.503 -4.728 -1.846 495 HA ILE 64 HA ILE 64 -9.209 -5.533 1.015 496 HB ILE 64 HB ILE 64 -8.935 -2.763 -0.176 497 HG12 ILE 64 2HG1 ILE 64 -6.759 -4.762 0.579 498 HG13 ILE 64 3HG1 ILE 64 -7.106 -4.128 -1.027 499 HG21 ILE 64 1HG2 ILE 64 -8.190 -3.845 2.577 500 HG22 ILE 64 2HG2 ILE 64 -8.003 -2.181 1.998 501 HG23 ILE 64 3HG2 ILE 64 -9.622 -2.848 2.219 502 HD11 ILE 64 3HD1 ILE 64 -6.640 -1.776 0.016 503 HD12 ILE 64 1HD1 ILE 64 -5.824 -2.716 1.295 504 HD13 ILE 64 2HD1 ILE 64 -5.289 -2.836 -0.382 505 H ARG 65 H ARG 65 -10.983 -5.725 2.098 506 HA ARG 65 HA ARG 65 -13.532 -5.025 0.850 507 HB2 ARG 65 2HB ARG 65 -14.388 -6.374 2.943 508 HB3 ARG 65 3HB ARG 65 -13.719 -7.171 1.537 509 HG2 ARG 65 2HG ARG 65 -11.920 -6.534 3.891 510 HG3 ARG 65 3HG ARG 65 -13.034 -7.886 3.990 511 HD2 ARG 65 2HD ARG 65 -11.023 -7.598 1.718 512 HD3 ARG 65 3HD ARG 65 -10.695 -8.475 3.217 513 HE ARG 65 HE ARG 65 -12.946 -9.706 2.498 514 HH11 ARG 65 1HH2 ARG 65 -10.227 -8.943 0.350 515 HH12 ARG 65 2HH2 ARG 65 -10.507 -10.387 -0.579 516 HH21 ARG 65 1HH1 ARG 65 -13.231 -11.454 1.195 517 HH22 ARG 65 2HH1 ARG 65 -12.163 -11.731 -0.148 518 H HIS 66 H HIS 66 -11.732 -3.793 3.475 519 HA HIS 66 HA HIS 66 -13.643 -1.598 3.913 520 HB2 HIS 66 2HB HIS 66 -13.398 -1.945 6.458 521 HB3 HIS 66 3HB HIS 66 -14.591 -2.835 5.547 522 HD2 HIS 66 HD2 HIS 66 -10.956 -4.185 5.630 523 HE1 HIS 66 HE1 HIS 66 -13.379 -6.809 7.958 524 HE2 HIS 66 HE2 HIS 66 -11.068 -6.459 6.954 525 HA PRO 67 HA PRO 67 -9.178 -0.953 3.458 526 HB2 PRO 67 2HB PRO 67 -9.175 1.329 1.850 527 HB3 PRO 67 3HB PRO 67 -9.382 -0.338 1.238 528 HG2 PRO 67 2HG PRO 67 -11.555 1.642 1.988 529 HG3 PRO 67 3HG PRO 67 -11.406 0.694 0.467 530 HD2 PRO 67 2HD PRO 67 -13.007 -0.134 2.444 531 HD3 PRO 67 3HD PRO 67 -11.958 -1.328 1.616 532 H ASP 68 H ASP 68 -11.357 1.707 4.452 533 HA ASP 68 HA ASP 68 -9.164 3.184 5.664 534 HB2 ASP 68 2HB ASP 68 -10.905 4.645 6.572 535 HB3 ASP 68 3HB ASP 68 -11.054 4.394 4.839 536 H VAL 69 H VAL 69 -10.676 0.329 6.574 537 HA VAL 69 HA VAL 69 -10.250 0.703 9.488 538 HB VAL 69 HB VAL 69 -11.444 -1.698 8.057 539 HG11 VAL 69 1HG1 VAL 69 -11.486 -0.847 10.980 540 HG12 VAL 69 2HG1 VAL 69 -12.351 -2.238 10.288 541 HG13 VAL 69 3HG1 VAL 69 -10.587 -2.222 10.295 542 HG21 VAL 69 3HG2 VAL 69 -12.862 0.653 9.381 543 HG22 VAL 69 1HG2 VAL 69 -12.918 0.219 7.657 544 HG23 VAL 69 2HG2 VAL 69 -13.644 -0.856 8.853 545 H GLU 70 H GLU 70 -9.203 -1.310 6.716 546 HA GLU 70 HA GLU 70 -7.154 -2.605 8.453 547 HB2 GLU 70 2HB GLU 70 -8.487 -3.355 5.843 548 HB3 GLU 70 3HB GLU 70 -6.995 -4.139 6.339 549 HG2 GLU 70 2HG GLU 70 -9.542 -4.073 7.992 550 HG3 GLU 70 3HG GLU 70 -8.991 -5.422 6.989 551 H VAL 71 H VAL 71 -7.165 -0.356 5.751 552 HA VAL 71 HA VAL 71 -4.247 -0.712 5.278 553 HB VAL 71 HB VAL 71 -6.014 1.409 4.097 554 HG11 VAL 71 1HG1 VAL 71 -3.340 0.142 3.345 555 HG12 VAL 71 2HG1 VAL 71 -4.186 1.476 2.511 556 HG13 VAL 71 3HG1 VAL 71 -3.533 1.709 4.153 557 HG21 VAL 71 3HG2 VAL 71 -5.230 -1.378 3.105 558 HG22 VAL 71 1HG2 VAL 71 -6.874 -0.829 3.443 559 HG23 VAL 71 2HG2 VAL 71 -5.979 -0.110 2.096 560 H ASP 72 H ASP 72 -3.255 -0.340 7.125 561 HA ASP 72 HA ASP 72 -3.515 1.946 8.830 562 HB2 ASP 72 2HB ASP 72 -2.350 -0.151 9.363 563 HB3 ASP 72 3HB ASP 72 -1.129 0.184 8.136 564 H GLY 73 H GLY 73 -2.647 3.994 8.674 565 HA2 GLY 73 2HA GLY 73 -1.432 5.795 7.828 566 HA3 GLY 73 3HA GLY 73 -0.713 4.751 6.603 567 H PHE 74 H PHE 74 -4.047 4.295 6.349 568 HA PHE 74 HA PHE 74 -4.462 5.830 3.996 569 HB2 PHE 74 2HB PHE 74 -5.833 3.930 4.746 570 HB3 PHE 74 3HB PHE 74 -6.431 4.866 6.111 571 HD1 PHE 74 HD2 PHE 74 -6.379 4.633 2.383 572 HD2 PHE 74 HD1 PHE 74 -8.325 6.328 5.842 573 HE1 PHE 74 HE2 PHE 74 -8.257 5.411 0.954 574 HE2 PHE 74 HE1 PHE 74 -10.207 7.089 4.402 575 HZ PHE 74 HZ PHE 74 -10.168 6.635 1.966 576 H SER 75 H SER 75 -4.830 6.753 7.402 577 HA SER 75 HA SER 75 -5.928 9.379 6.951 578 HB2 SER 75 2HB SER 75 -4.388 8.324 9.347 579 HB3 SER 75 3HB SER 75 -5.449 9.745 9.306 580 HG SER 75 HG SER 75 -6.525 7.893 10.134 581 H GLU 76 H GLU 76 -2.727 8.239 6.400 582 HA GLU 76 HA GLU 76 -1.418 10.860 6.880 583 HB2 GLU 76 2HB GLU 76 -0.296 8.231 5.837 584 HB3 GLU 76 3HB GLU 76 0.630 9.686 6.173 585 HG2 GLU 76 2HG GLU 76 0.193 9.556 8.536 586 HG3 GLU 76 3HG GLU 76 -1.002 8.279 8.320 587 H LEU 77 H LEU 77 -3.152 9.336 4.382 588 HA LEU 77 HA LEU 77 -1.820 10.636 2.110 589 HB2 LEU 77 2HB LEU 77 -4.461 9.154 2.331 590 HB3 LEU 77 3HB LEU 77 -3.710 9.675 0.832 591 HG LEU 77 HG LEU 77 -2.571 7.583 2.740 592 HD11 LEU 77 1HD1 LEU 77 -3.190 6.035 0.889 593 HD12 LEU 77 2HD1 LEU 77 -4.608 6.853 1.562 594 HD13 LEU 77 3HD1 LEU 77 -3.926 7.382 0.010 595 HD21 LEU 77 3HD2 LEU 77 -0.769 8.754 1.513 596 HD22 LEU 77 1HD2 LEU 77 -0.976 7.099 0.947 597 HD23 LEU 77 2HD2 LEU 77 -1.619 8.446 -0.018 598 H ARG 78 H ARG 78 -2.909 12.110 0.674 599 HA ARG 78 HA ARG 78 -4.743 14.057 1.945 600 HB2 ARG 78 2HB ARG 78 -3.386 13.893 -0.780 601 HB3 ARG 78 3HB ARG 78 -4.692 15.025 -0.503 602 HG2 ARG 78 2HG ARG 78 -2.158 14.959 1.189 603 HG3 ARG 78 3HG ARG 78 -2.422 16.012 -0.211 604 HD2 ARG 78 2HD ARG 78 -4.454 16.955 0.902 605 HD3 ARG 78 3HD ARG 78 -4.099 15.989 2.340 606 HE ARG 78 HE ARG 78 -1.759 17.463 1.712 607 HH11 ARG 78 1HH2 ARG 78 -4.993 18.187 2.859 608 HH12 ARG 78 2HH2 ARG 78 -4.473 19.633 3.680 609 HH21 ARG 78 1HH1 ARG 78 -1.170 19.318 2.780 610 HH22 ARG 78 2HH1 ARG 78 -2.365 20.250 3.632 611 H TRP 79 H TRP 79 -6.699 14.693 0.939 612 HA TRP 79 HA TRP 79 -8.548 12.652 0.970 613 HB2 TRP 79 2HB TRP 79 -9.614 14.569 1.394 614 HB3 TRP 79 3HB TRP 79 -8.549 15.525 0.386 615 HD1 TRP 79 HD1 TRP 79 -11.906 13.751 0.262 616 HE1 TRP 79 HE1 TRP 79 -13.135 14.411 -1.897 617 HE3 TRP 79 HE3 TRP 79 -8.121 16.270 -2.057 618 HZ2 TRP 79 HZ2 TRP 79 -12.515 15.808 -4.365 619 HZ3 TRP 79 HZ3 TRP 79 -8.439 17.239 -4.319 620 HH2 TRP 79 HH2 TRP 79 -10.633 17.019 -5.484 621 H ASP 80 H ASP 80 -7.005 13.990 -1.969 622 HA ASP 80 HA ASP 80 -8.694 12.632 -3.840 623 HB2 ASP 80 2HB ASP 80 -7.303 14.641 -4.318 624 HB3 ASP 80 3HB ASP 80 -5.849 13.660 -4.159 625 H ASP 81 H ASP 81 -5.792 11.503 -2.121 626 HA ASP 81 HA ASP 81 -5.658 9.088 -3.792 627 HB2 ASP 81 2HB ASP 81 -3.935 10.010 -1.495 628 HB3 ASP 81 3HB ASP 81 -3.838 8.406 -2.240 629 H GLN 82 H GLN 82 -6.831 10.152 -0.579 630 HA GLN 82 HA GLN 82 -7.715 7.571 0.287 631 HB2 GLN 82 2HB GLN 82 -8.836 10.357 0.744 632 HB3 GLN 82 3HB GLN 82 -9.518 8.915 1.485 633 HG2 GLN 82 2HG GLN 82 -7.367 8.400 2.560 634 HG3 GLN 82 3HG GLN 82 -6.622 9.809 1.806 635 HE21 GLN 82 2HE2 GLN 82 -6.549 9.495 4.562 636 HE22 GLN 82 1HE2 GLN 82 -7.564 10.754 5.282 637 H GLN 83 H GLN 83 -9.173 9.876 -2.075 638 HA GLN 83 HA GLN 83 -11.501 8.223 -2.530 639 HB2 GLN 83 2HB GLN 83 -10.256 10.160 -4.518 640 HB3 GLN 83 3HB GLN 83 -11.856 9.454 -4.570 641 HG2 GLN 83 2HG GLN 83 -10.863 11.744 -2.952 642 HG3 GLN 83 3HG GLN 83 -12.344 11.562 -3.845 643 HE21 GLN 83 2HE2 GLN 83 -10.859 11.279 -0.741 644 HE22 GLN 83 1HE2 GLN 83 -12.295 10.703 0.124 645 H LYS 84 H LYS 84 -8.233 8.237 -4.121 646 HA LYS 84 HA LYS 84 -9.146 6.414 -6.172 647 HB2 LYS 84 2HB LYS 84 -7.159 6.775 -7.222 648 HB3 LYS 84 3HB LYS 84 -7.433 8.298 -6.384 649 HG2 LYS 84 2HG LYS 84 -5.263 8.088 -5.961 650 HG3 LYS 84 3HG LYS 84 -5.840 7.173 -4.562 651 HD2 LYS 84 2HD LYS 84 -5.448 5.073 -5.679 652 HD3 LYS 84 3HD LYS 84 -5.051 5.885 -7.195 653 HE2 LYS 84 2HE LYS 84 -3.470 6.075 -4.597 654 HE3 LYS 84 3HE LYS 84 -3.041 5.080 -5.990 655 HZ1 LYS 84 3HZ LYS 84 -1.803 7.112 -6.076 656 HZ2 LYS 84 1HZ LYS 84 -2.863 7.175 -7.302 657 HZ3 LYS 84 2HZ LYS 84 -3.110 8.049 -5.894 658 H VAL 85 H VAL 85 -7.326 6.122 -3.145 659 HA VAL 85 HA VAL 85 -6.671 3.333 -3.589 660 HB VAL 85 HB VAL 85 -6.808 5.005 -1.047 661 HG11 VAL 85 1HG1 VAL 85 -7.059 2.674 -0.336 662 HG12 VAL 85 2HG1 VAL 85 -5.689 2.180 -1.363 663 HG13 VAL 85 3HG1 VAL 85 -5.432 3.240 0.037 664 HG21 VAL 85 3HG2 VAL 85 -4.395 3.945 -2.584 665 HG22 VAL 85 1HG2 VAL 85 -5.047 5.574 -2.803 666 HG23 VAL 85 2HG2 VAL 85 -4.394 5.088 -1.231 667 H LYS 86 H LYS 86 -9.459 4.953 -1.941 668 HA LYS 86 HA LYS 86 -10.768 2.416 -1.362 669 HB2 LYS 86 2HB LYS 86 -11.884 5.249 -1.502 670 HB3 LYS 86 3HB LYS 86 -12.812 3.809 -1.055 671 HG2 LYS 86 2HG LYS 86 -10.997 3.356 0.717 672 HG3 LYS 86 3HG LYS 86 -10.385 4.948 0.374 673 HD2 LYS 86 2HD LYS 86 -11.775 4.941 2.382 674 HD3 LYS 86 3HD LYS 86 -12.513 5.966 1.131 675 HE2 LYS 86 2HE LYS 86 -14.132 4.283 0.604 676 HE3 LYS 86 3HE LYS 86 -13.255 3.052 1.533 677 HZ1 LYS 86 3HZ LYS 86 -14.498 5.424 2.810 678 HZ2 LYS 86 1HZ LYS 86 -15.247 3.978 2.685 679 HZ3 LYS 86 2HZ LYS 86 -13.884 4.087 3.559 680 H LYS 87 H LYS 87 -11.073 4.688 -4.128 681 HA LYS 87 HA LYS 87 -13.019 3.203 -5.586 682 HB2 LYS 87 2HB LYS 87 -12.339 5.469 -6.130 683 HB3 LYS 87 3HB LYS 87 -10.762 4.885 -6.700 684 HG2 LYS 87 2HG LYS 87 -11.783 3.654 -8.509 685 HG3 LYS 87 3HG LYS 87 -13.408 3.855 -7.817 686 HD2 LYS 87 2HD LYS 87 -13.301 6.268 -8.169 687 HD3 LYS 87 3HD LYS 87 -11.660 6.125 -8.844 688 HE2 LYS 87 2HE LYS 87 -12.537 4.678 -10.664 689 HE3 LYS 87 3HE LYS 87 -14.165 4.794 -9.985 690 HZ1 LYS 87 3HZ LYS 87 -14.103 7.194 -10.410 691 HZ2 LYS 87 1HZ LYS 87 -12.596 7.091 -11.037 692 HZ3 LYS 87 2HZ LYS 87 -13.851 6.377 -11.798 693 H THR 88 H THR 88 -9.456 2.857 -5.576 694 HA THR 88 HA THR 88 -9.366 0.714 -7.450 695 HB THR 88 HB THR 88 -7.310 1.391 -5.326 696 HG1 THR 88 1HG THR 88 -7.676 3.135 -6.636 697 HG21 THR 88 1HG2 THR 88 -7.202 -0.091 -7.978 698 HG22 THR 88 2HG2 THR 88 -5.771 0.396 -7.043 699 HG23 THR 88 3HG2 THR 88 -6.904 -0.794 -6.377 700 H ALA 89 H ALA 89 -9.824 0.717 -3.917 701 HA ALA 89 HA ALA 89 -9.466 -2.112 -3.550 702 HB1 ALA 89 1HB ALA 89 -10.879 -0.000 -1.874 703 HB2 ALA 89 2HB ALA 89 -10.463 -1.638 -1.353 704 HB3 ALA 89 3HB ALA 89 -9.173 -0.484 -1.745 705 H GLU 90 H GLU 90 -12.345 -0.007 -4.184 706 HA GLU 90 HA GLU 90 -14.074 -2.359 -4.143 707 HB2 GLU 90 2HB GLU 90 -15.877 -0.996 -4.894 708 HB3 GLU 90 3HB GLU 90 -15.058 -0.255 -3.512 709 HG2 GLU 90 2HG GLU 90 -13.969 1.347 -5.017 710 HG3 GLU 90 3HG GLU 90 -14.706 0.580 -6.426 711 H ALA 91 H ALA 91 -12.333 -0.623 -6.648 712 HA ALA 91 HA ALA 91 -13.480 -1.997 -8.875 713 HB1 ALA 91 1HB ALA 91 -12.322 0.166 -9.060 714 HB2 ALA 91 2HB ALA 91 -10.805 -0.562 -8.504 715 HB3 ALA 91 3HB ALA 91 -11.498 -1.037 -10.071 716 H GLY 92 H GLY 92 -11.269 -3.122 -6.475 717 HA2 GLY 92 2HA GLY 92 -10.241 -5.163 -6.185 718 HA3 GLY 92 3HA GLY 92 -10.930 -5.733 -7.710 719 H GLY 93 H GLY 93 -8.899 -2.825 -7.399 720 HA2 GLY 93 2HA GLY 93 -6.541 -2.708 -7.801 721 HA3 GLY 93 3HA GLY 93 -6.617 -4.156 -8.800 722 H VAL 94 H VAL 94 -5.559 -1.494 -9.319 723 HA VAL 94 HA VAL 94 -6.599 -1.169 -12.040 724 HB VAL 94 HB VAL 94 -7.827 0.467 -10.402 725 HG11 VAL 94 1HG1 VAL 94 -5.302 2.113 -10.841 726 HG12 VAL 94 2HG1 VAL 94 -6.778 2.589 -9.980 727 HG13 VAL 94 3HG1 VAL 94 -5.724 1.339 -9.303 728 HG21 VAL 94 3HG2 VAL 94 -6.540 1.612 -12.910 729 HG22 VAL 94 1HG2 VAL 94 -7.972 0.554 -12.868 730 HG23 VAL 94 2HG2 VAL 94 -8.027 2.150 -12.108 731 H THR 95 H THR 95 -5.140 0.108 -13.399 732 HA THR 95 HA THR 95 -2.370 0.470 -12.344 733 HB THR 95 HB THR 95 -1.513 -0.166 -14.574 734 HG1 THR 95 1HG THR 95 -2.901 -1.299 -15.954 735 HG21 THR 95 1HG2 THR 95 -1.601 -1.812 -12.693 736 HG22 THR 95 2HG2 THR 95 -3.181 -2.369 -13.274 737 HG23 THR 95 3HG2 THR 95 -1.734 -2.579 -14.287 738 H GLY 96 H GLY 96 -1.101 2.086 -13.469 739 HA2 GLY 96 2HA GLY 96 -0.796 4.086 -14.631 740 HA3 GLY 96 3HA GLY 96 -2.497 4.078 -15.103 741 H LYS 97 H LYS 97 -2.782 3.694 -11.898 742 HA LYS 97 HA LYS 97 -3.098 6.609 -11.349 743 HB2 LYS 97 2HB LYS 97 -4.287 4.099 -10.136 744 HB3 LYS 97 3HB LYS 97 -4.366 5.643 -9.315 745 HG2 LYS 97 2HG LYS 97 -6.422 5.246 -10.475 746 HG3 LYS 97 3HG LYS 97 -5.609 6.670 -11.121 747 HD2 LYS 97 2HD LYS 97 -4.939 5.468 -13.121 748 HD3 LYS 97 3HD LYS 97 -5.507 3.926 -12.438 749 HE2 LYS 97 2HE LYS 97 -7.821 4.770 -12.431 750 HE3 LYS 97 3HE LYS 97 -7.272 6.339 -13.037 751 HZ1 LYS 97 3HZ LYS 97 -8.106 4.900 -14.830 752 HZ2 LYS 97 1HZ LYS 97 -6.531 5.245 -15.069 753 HZ3 LYS 97 2HZ LYS 97 -6.965 3.773 -14.513 754 H GLY 98 H GLY 98 -0.714 4.389 -10.804 755 HA2 GLY 98 2HA GLY 98 0.273 5.481 -8.226 756 HA3 GLY 98 3HA GLY 98 1.010 4.220 -9.212 757 H GLN 99 H GLN 99 3.029 5.280 -8.986 758 HA GLN 99 HA GLN 99 3.525 7.363 -11.031 759 HB2 GLN 99 2HB GLN 99 3.316 8.579 -8.907 760 HB3 GLN 99 3HB GLN 99 4.489 7.499 -8.149 761 HG2 GLN 99 2HG GLN 99 6.256 8.327 -9.680 762 HG3 GLN 99 3HG GLN 99 5.075 9.359 -10.500 763 HE21 GLN 99 2HE2 GLN 99 6.278 8.685 -7.141 764 HE22 GLN 99 1HE2 GLN 99 6.364 10.383 -6.685 765 H ASP 100 H ASP 100 5.450 7.107 -12.112 766 HA ASP 100 HA ASP 100 6.866 4.550 -11.779 767 HB2 ASP 100 2HB ASP 100 6.136 5.275 -13.997 768 HB3 ASP 100 3HB ASP 100 7.086 6.756 -13.854 769 H GLY 101 H GLY 101 8.933 4.250 -11.115 770 HA2 GLY 101 2HA GLY 101 11.141 5.849 -11.191 771 HA3 GLY 101 3HA GLY 101 10.365 6.373 -9.696 772 H ILE 102 H ILE 102 12.844 5.360 -9.497 773 HA ILE 102 HA ILE 102 12.438 2.793 -8.086 774 HB ILE 102 HB ILE 102 13.248 2.331 -10.391 775 HG12 ILE 102 2HG1 ILE 102 15.122 1.513 -8.143 776 HG13 ILE 102 3HG1 ILE 102 13.549 0.796 -8.498 777 HG21 ILE 102 1HG2 ILE 102 15.504 2.814 -11.084 778 HG22 ILE 102 2HG2 ILE 102 14.761 4.341 -10.611 779 HG23 ILE 102 3HG2 ILE 102 15.907 3.536 -9.515 780 HD11 ILE 102 3HD1 ILE 102 14.410 0.135 -10.764 781 HD12 ILE 102 1HD1 ILE 102 16.024 0.699 -10.263 782 HD13 ILE 102 2HD1 ILE 102 15.247 -0.639 -9.404 783 H GLY 103 H GLY 103 13.513 2.547 -6.236 784 HA2 GLY 103 2HA GLY 103 14.853 4.894 -5.062 785 HA3 GLY 103 3HA GLY 103 14.301 3.441 -4.232 786 H SER 104 H SER 104 16.126 2.259 -6.740 787 HA SER 104 HA SER 104 17.959 1.159 -4.923 788 HB2 SER 104 2HB SER 104 18.105 1.162 -7.959 789 HB3 SER 104 3HB SER 104 18.933 0.038 -6.864 790 HG SER 104 HG SER 104 17.032 -0.901 -7.603 791 H LYS 105 H LYS 105 18.410 4.081 -6.787 792 HA LYS 105 HA LYS 105 21.157 4.377 -5.738 793 HB2 LYS 105 2HB LYS 105 21.227 3.198 -8.020 794 HB3 LYS 105 3HB LYS 105 20.627 4.704 -8.722 795 HG2 LYS 105 2HG LYS 105 22.651 5.884 -7.831 796 HG3 LYS 105 3HG LYS 105 23.200 4.361 -7.106 797 HD2 LYS 105 2HD LYS 105 23.272 3.348 -9.405 798 HD3 LYS 105 3HD LYS 105 22.810 4.926 -10.079 799 HE2 LYS 105 2HE LYS 105 24.851 5.921 -8.962 800 HE3 LYS 105 3HE LYS 105 25.315 4.292 -8.449 801 HZ1 LYS 105 3HZ LYS 105 26.439 4.867 -10.500 802 HZ2 LYS 105 1HZ LYS 105 25.366 3.684 -10.848 803 HZ3 LYS 105 2HZ LYS 105 25.040 5.245 -11.254 804 H ALA 106 H ALA 106 21.863 6.465 -5.558 805 HA ALA 106 HA ALA 106 19.999 8.696 -6.260 806 HB1 ALA 106 1HB ALA 106 21.767 8.402 -3.795 807 HB2 ALA 106 2HB ALA 106 20.751 9.804 -4.199 808 HB3 ALA 106 3HB ALA 106 19.997 8.239 -3.843 809 H GLU 107 H GLU 107 21.352 8.277 -8.299 810 HA GLU 107 HA GLU 107 24.142 8.877 -8.321 811 HB2 GLU 107 2HB GLU 107 22.880 7.443 -9.927 812 HB3 GLU 107 3HB GLU 107 22.146 8.891 -10.622 813 HG2 GLU 107 2HG GLU 107 24.357 9.691 -11.351 814 HG3 GLU 107 3HG GLU 107 25.145 8.346 -10.518 815 H LYS 108 H LYS 108 21.346 10.968 -8.739 816 HA LYS 108 HA LYS 108 22.992 13.383 -8.581 817 HB2 LYS 108 2HB LYS 108 22.038 14.455 -10.551 818 HB3 LYS 108 3HB LYS 108 22.973 13.028 -10.989 819 HG2 LYS 108 2HG LYS 108 20.854 11.729 -11.263 820 HG3 LYS 108 3HG LYS 108 19.925 13.183 -10.844 821 HD2 LYS 108 2HD LYS 108 20.898 14.368 -12.794 822 HD3 LYS 108 3HD LYS 108 21.832 12.912 -13.212 823 HE2 LYS 108 2HE LYS 108 19.715 11.634 -13.469 824 HE3 LYS 108 3HE LYS 108 18.787 13.081 -13.053 825 HZ1 LYS 108 3HZ LYS 108 19.705 14.159 -15.040 826 HZ2 LYS 108 1HZ LYS 108 20.563 12.821 -15.423 827 HZ3 LYS 108 2HZ LYS 108 18.932 12.784 -15.458 Start of MODEL 17 1 H1 MET 1 H1 MET 1 4.811 6.873 19.980 2 H2 MET 1 H2 MET 1 3.400 7.288 19.241 3 H3 MET 1 H3 MET 1 4.108 5.852 18.908 4 HA MET 1 HA MET 1 3.753 5.060 21.132 5 HB2 MET 1 2HB MET 1 2.277 7.708 21.508 6 HB3 MET 1 3HB MET 1 2.225 6.346 22.628 7 HG2 MET 1 2HG MET 1 4.675 7.997 21.926 8 HG3 MET 1 3HG MET 1 3.771 8.013 23.435 9 HE1 MET 1 1HE MET 1 7.208 6.494 24.517 10 HE2 MET 1 2HE MET 1 6.925 7.750 23.291 11 HE3 MET 1 3HE MET 1 5.999 7.763 24.810 12 H ALA 2 H ALA 2 1.779 3.982 21.751 13 HA ALA 2 HA ALA 2 -0.006 2.737 21.273 14 HB1 ALA 2 1HB ALA 2 -1.178 5.307 20.166 15 HB2 ALA 2 2HB ALA 2 -2.070 3.899 20.776 16 HB3 ALA 2 3HB ALA 2 -1.080 4.862 21.885 17 H GLU 3 H GLU 3 2.030 2.511 19.296 18 HA GLU 3 HA GLU 3 1.017 2.175 16.649 19 HB2 GLU 3 2HB GLU 3 3.227 0.727 18.181 20 HB3 GLU 3 3HB GLU 3 2.885 0.483 16.478 21 HG2 GLU 3 2HG GLU 3 4.711 1.962 16.578 22 HG3 GLU 3 3HG GLU 3 3.315 2.868 16.006 23 H SER 4 H SER 4 0.423 0.270 15.503 24 HA SER 4 HA SER 4 -0.470 -2.108 17.022 25 HB2 SER 4 2HB SER 4 -2.444 -0.656 16.943 26 HB3 SER 4 3HB SER 4 -2.296 -0.523 15.179 27 HG SER 4 HG SER 4 -3.806 -2.161 15.989 28 H SER 5 H SER 5 -0.641 -3.955 15.838 29 HA SER 5 HA SER 5 0.039 -3.988 12.953 30 HB2 SER 5 2HB SER 5 1.353 -5.869 14.961 31 HB3 SER 5 3HB SER 5 1.604 -5.844 13.208 32 HG SER 5 HG SER 5 2.303 -3.792 15.061 33 H ASP 6 H ASP 6 -2.368 -4.419 14.765 34 HA ASP 6 HA ASP 6 -3.113 -7.131 13.955 35 HB2 ASP 6 2HB ASP 6 -4.588 -5.013 15.557 36 HB3 ASP 6 3HB ASP 6 -5.275 -6.586 15.146 37 H LYS 7 H LYS 7 -2.449 -5.863 11.770 38 HA LYS 7 HA LYS 7 -4.908 -5.269 10.211 39 HB2 LYS 7 2HB LYS 7 -2.139 -3.982 9.976 40 HB3 LYS 7 3HB LYS 7 -3.549 -3.584 9.003 41 HG2 LYS 7 2HG LYS 7 -3.259 -3.095 12.001 42 HG3 LYS 7 3HG LYS 7 -3.062 -1.894 10.742 43 HD2 LYS 7 2HD LYS 7 -5.388 -2.033 10.094 44 HD3 LYS 7 3HD LYS 7 -5.666 -3.423 11.164 45 HE2 LYS 7 2HE LYS 7 -5.003 -2.030 13.123 46 HE3 LYS 7 3HE LYS 7 -4.856 -0.630 12.049 47 HZ1 LYS 7 3HZ LYS 7 -7.057 -0.609 13.006 48 HZ2 LYS 7 1HZ LYS 7 -7.243 -1.031 11.425 49 HZ3 LYS 7 2HZ LYS 7 -7.343 -2.165 12.592 50 H LEU 8 H LEU 8 -4.372 -5.505 7.869 51 HA LEU 8 HA LEU 8 -2.491 -7.794 7.326 52 HB2 LEU 8 2HB LEU 8 -4.945 -6.781 5.830 53 HB3 LEU 8 3HB LEU 8 -3.980 -8.171 5.344 54 HG LEU 8 HG LEU 8 -5.620 -8.016 7.920 55 HD11 LEU 8 1HD1 LEU 8 -7.003 -7.863 5.908 56 HD12 LEU 8 2HD1 LEU 8 -6.223 -9.306 5.233 57 HD13 LEU 8 3HD1 LEU 8 -7.219 -9.436 6.709 58 HD21 LEU 8 3HD2 LEU 8 -4.244 -10.339 6.505 59 HD22 LEU 8 1HD2 LEU 8 -3.750 -9.606 8.049 60 HD23 LEU 8 2HD2 LEU 8 -5.295 -10.466 7.937 61 H TYR 9 H TYR 9 -3.165 -4.457 6.688 62 HA TYR 9 HA TYR 9 -1.400 -4.434 4.299 63 HB2 TYR 9 2HB TYR 9 -4.153 -3.201 4.515 64 HB3 TYR 9 3HB TYR 9 -3.117 -3.222 3.086 65 HD1 TYR 9 HD1 TYR 9 -2.373 -5.934 2.649 66 HD2 TYR 9 HD2 TYR 9 -6.078 -4.414 4.226 67 HE1 TYR 9 HE1 TYR 9 -3.522 -8.019 1.933 68 HE2 TYR 9 HE2 TYR 9 -7.229 -6.512 3.533 69 HH TYR 9 HH TYR 9 -5.508 -9.154 1.840 70 H ARG 10 H ARG 10 -0.638 -2.389 3.727 71 HA ARG 10 HA ARG 10 -0.910 -0.120 5.614 72 HB2 ARG 10 2HB ARG 10 1.025 -1.259 6.449 73 HB3 ARG 10 3HB ARG 10 1.588 -1.625 4.839 74 HG2 ARG 10 2HG ARG 10 3.082 -0.040 5.753 75 HG3 ARG 10 3HG ARG 10 2.182 0.784 4.489 76 HD2 ARG 10 2HD ARG 10 0.682 1.747 6.265 77 HD3 ARG 10 3HD ARG 10 1.675 0.948 7.497 78 HE ARG 10 HE ARG 10 3.313 2.635 5.853 79 HH11 ARG 10 1HH2 ARG 10 0.942 2.960 8.493 80 HH12 ARG 10 2HH2 ARG 10 1.319 4.693 8.592 81 HH21 ARG 10 1HH1 ARG 10 3.858 4.802 6.440 82 HH22 ARG 10 2HH1 ARG 10 2.761 5.600 7.558 83 H VAL 11 H VAL 11 -0.693 1.889 4.589 84 HA VAL 11 HA VAL 11 0.396 2.074 1.854 85 HB VAL 11 HB VAL 11 -2.114 1.790 1.754 86 HG11 VAL 11 1HG1 VAL 11 -2.219 4.674 2.726 87 HG12 VAL 11 2HG1 VAL 11 -3.574 3.640 2.239 88 HG13 VAL 11 3HG1 VAL 11 -2.651 3.292 3.717 89 HG21 VAL 11 3HG2 VAL 11 -2.391 3.438 -0.016 90 HG22 VAL 11 1HG2 VAL 11 -1.111 4.470 0.654 91 HG23 VAL 11 2HG2 VAL 11 -0.695 2.934 -0.067 92 H GLU 12 H GLU 12 1.427 4.053 1.439 93 HA GLU 12 HA GLU 12 0.958 6.321 3.210 94 HB2 GLU 12 2HB GLU 12 3.161 6.593 4.061 95 HB3 GLU 12 3HB GLU 12 2.551 5.026 4.560 96 HG2 GLU 12 2HG GLU 12 3.956 3.878 2.937 97 HG3 GLU 12 3HG GLU 12 4.474 5.407 2.229 98 H TYR 13 H TYR 13 1.958 8.259 2.594 99 HA TYR 13 HA TYR 13 3.329 8.496 -0.007 100 HB2 TYR 13 2HB TYR 13 2.607 10.360 2.249 101 HB3 TYR 13 3HB TYR 13 4.013 10.725 1.271 102 HD1 TYR 13 HD1 TYR 13 0.572 9.384 0.369 103 HD2 TYR 13 HD2 TYR 13 3.582 12.430 -0.209 104 HE1 TYR 13 HE1 TYR 13 -0.812 10.415 -1.414 105 HE2 TYR 13 HE2 TYR 13 2.182 13.466 -1.982 106 HH TYR 13 HH TYR 13 -0.954 12.093 -3.017 107 H ALA 14 H ALA 14 5.353 7.946 -0.254 108 HA ALA 14 HA ALA 14 6.741 6.474 1.690 109 HB1 ALA 14 1HB ALA 14 7.567 7.569 -1.025 110 HB2 ALA 14 2HB ALA 14 8.451 6.314 -0.137 111 HB3 ALA 14 3HB ALA 14 6.791 6.017 -0.701 112 H LYS 15 H LYS 15 8.130 6.972 3.234 113 HA LYS 15 HA LYS 15 8.909 9.719 3.753 114 HB2 LYS 15 2HB LYS 15 9.789 7.194 5.214 115 HB3 LYS 15 3HB LYS 15 9.826 8.846 5.825 116 HG2 LYS 15 2HG LYS 15 7.367 7.156 5.242 117 HG3 LYS 15 3HG LYS 15 7.981 7.649 6.819 118 HD2 LYS 15 2HD LYS 15 7.544 10.038 6.238 119 HD3 LYS 15 3HD LYS 15 6.843 9.534 4.692 120 HE2 LYS 15 2HE LYS 15 5.825 8.710 7.443 121 HE3 LYS 15 3HE LYS 15 5.147 9.995 6.432 122 HZ1 LYS 15 3HZ LYS 15 5.205 7.097 5.740 123 HZ2 LYS 15 1HZ LYS 15 3.891 7.984 6.122 124 HZ3 LYS 15 2HZ LYS 15 4.717 8.281 4.717 125 H SER 16 H SER 16 10.701 6.890 2.687 126 HA SER 16 HA SER 16 13.044 8.423 1.839 127 HB2 SER 16 2HB SER 16 13.423 8.087 4.295 128 HB3 SER 16 3HB SER 16 13.368 6.332 4.029 129 HG SER 16 HG SER 16 15.517 7.324 3.974 130 H GLY 17 H GLY 17 14.494 7.086 0.572 131 HA2 GLY 17 2HA GLY 17 13.091 5.161 -1.073 132 HA3 GLY 17 3HA GLY 17 14.741 5.740 -1.289 133 H ARG 18 H ARG 18 13.715 4.189 1.708 134 HA ARG 18 HA ARG 18 15.801 2.111 1.391 135 HB2 ARG 18 2HB ARG 18 13.984 2.830 3.734 136 HB3 ARG 18 3HB ARG 18 15.287 1.654 3.791 137 HG2 ARG 18 2HG ARG 18 15.584 4.649 3.322 138 HG3 ARG 18 3HG ARG 18 15.972 3.777 4.798 139 HD2 ARG 18 2HD ARG 18 17.376 3.477 2.111 140 HD3 ARG 18 3HD ARG 18 17.989 4.344 3.523 141 HE ARG 18 HE ARG 18 17.506 1.790 4.482 142 HH11 ARG 18 1HH2 ARG 18 19.568 3.057 1.949 143 HH12 ARG 18 2HH2 ARG 18 20.701 1.741 2.091 144 HH21 ARG 18 1HH1 ARG 18 18.984 0.139 4.603 145 HH22 ARG 18 2HH1 ARG 18 20.376 0.140 3.563 146 H ALA 19 H ALA 19 12.361 2.194 1.022 147 HA ALA 19 HA ALA 19 11.963 -0.627 1.658 148 HB1 ALA 19 1HB ALA 19 10.087 1.350 0.318 149 HB2 ALA 19 2HB ALA 19 9.662 -0.226 1.000 150 HB3 ALA 19 3HB ALA 19 10.211 1.070 2.075 151 H SER 20 H SER 20 11.862 -2.330 0.313 152 HA SER 20 HA SER 20 12.461 -1.952 -2.584 153 HB2 SER 20 2HB SER 20 13.416 -4.204 -2.546 154 HB3 SER 20 3HB SER 20 14.264 -3.079 -1.470 155 HG SER 20 HG SER 20 13.958 -4.998 -0.381 156 H CYS 21 HN CYS 21 11.322 -3.113 -4.127 157 HA CYS 21 HA CYS 21 8.561 -3.684 -3.329 158 HB2 CYS 21 2HB CYS 21 9.162 -2.264 -5.255 159 HB3 CYS 21 3HB CYS 21 9.908 -3.670 -6.042 160 H LYS 22 H LYS 22 7.810 -5.576 -2.864 161 HA LYS 22 HA LYS 22 9.466 -7.981 -3.111 162 HB2 LYS 22 2HB LYS 22 6.731 -7.607 -1.852 163 HB3 LYS 22 3HB LYS 22 7.812 -8.968 -1.573 164 HG2 LYS 22 2HG LYS 22 8.560 -6.110 -0.905 165 HG3 LYS 22 3HG LYS 22 7.656 -7.128 0.189 166 HD2 LYS 22 2HD LYS 22 9.485 -8.787 0.186 167 HD3 LYS 22 3HD LYS 22 10.420 -7.777 -0.952 168 HE2 LYS 22 2HE LYS 22 9.422 -6.881 1.776 169 HE3 LYS 22 3HE LYS 22 11.019 -7.599 1.532 170 HZ1 LYS 22 3HZ LYS 22 10.149 -5.108 0.129 171 HZ2 LYS 22 1HZ LYS 22 11.060 -5.131 1.501 172 HZ3 LYS 22 2HZ LYS 22 11.636 -5.747 0.122 173 H LYS 23 H LYS 23 7.455 -6.667 -5.274 174 HA LYS 23 HA LYS 23 6.456 -9.280 -6.370 175 HB2 LYS 23 2HB LYS 23 4.667 -7.822 -5.620 176 HB3 LYS 23 3HB LYS 23 5.299 -6.489 -6.587 177 HG2 LYS 23 2HG LYS 23 3.334 -7.479 -7.604 178 HG3 LYS 23 3HG LYS 23 4.735 -7.695 -8.655 179 HD2 LYS 23 2HD LYS 23 4.935 -10.050 -7.974 180 HD3 LYS 23 3HD LYS 23 3.649 -9.840 -6.765 181 HE2 LYS 23 2HE LYS 23 2.040 -9.298 -8.549 182 HE3 LYS 23 3HE LYS 23 3.318 -9.435 -9.769 183 HZ1 LYS 23 3HZ LYS 23 2.370 -11.671 -8.044 184 HZ2 LYS 23 1HZ LYS 23 1.987 -11.474 -9.617 185 HZ3 LYS 23 2HZ LYS 23 3.529 -11.790 -9.190 186 H CYS 24 HN CYS 24 7.663 -6.075 -7.524 187 HA CYS 24 HA CYS 24 8.518 -7.434 -10.017 188 HB2 CYS 24 2HB CYS 24 8.477 -5.450 -11.146 189 HB3 CYS 24 3HB CYS 24 7.007 -5.463 -10.179 190 H SER 25 H SER 25 9.922 -6.869 -7.134 191 HA SER 25 HA SER 25 11.995 -6.971 -6.316 192 HB2 SER 25 2HB SER 25 12.834 -8.018 -9.023 193 HB3 SER 25 3HB SER 25 13.725 -8.174 -7.501 194 HG SER 25 HG SER 25 12.469 -10.043 -7.974 195 H GLU 26 H GLU 26 11.213 -4.452 -7.823 196 HA GLU 26 HA GLU 26 13.894 -3.196 -8.142 197 HB2 GLU 26 2HB GLU 26 11.097 -2.179 -8.702 198 HB3 GLU 26 3HB GLU 26 12.555 -1.233 -8.969 199 HG2 GLU 26 2HG GLU 26 12.073 -3.877 -10.392 200 HG3 GLU 26 3HG GLU 26 11.484 -2.333 -10.984 201 H SER 27 H SER 27 13.130 -0.579 -7.321 202 HA SER 27 HA SER 27 12.766 -0.857 -4.374 203 HB2 SER 27 2HB SER 27 15.162 -0.596 -5.064 204 HB3 SER 27 3HB SER 27 14.722 1.027 -5.666 205 HG SER 27 HG SER 27 15.496 1.057 -3.484 206 H ILE 28 H ILE 28 12.023 1.027 -3.293 207 HA ILE 28 HA ILE 28 10.007 2.381 -5.015 208 HB ILE 28 HB ILE 28 9.729 1.706 -2.086 209 HG12 ILE 28 2HG1 ILE 28 8.428 0.157 -4.361 210 HG13 ILE 28 3HG1 ILE 28 9.928 -0.377 -3.609 211 HG21 ILE 28 1HG2 ILE 28 7.762 2.571 -4.287 212 HG22 ILE 28 2HG2 ILE 28 7.313 2.131 -2.645 213 HG23 ILE 28 3HG2 ILE 28 8.292 3.574 -2.931 214 HD11 ILE 28 3HD1 ILE 28 8.861 -0.449 -1.395 215 HD12 ILE 28 1HD1 ILE 28 7.301 -0.030 -2.137 216 HD13 ILE 28 2HD1 ILE 28 8.120 -1.539 -2.568 217 HA PRO 29 HA PRO 29 12.411 5.962 -3.622 218 HB2 PRO 29 2HB PRO 29 11.417 7.864 -5.313 219 HB3 PRO 29 3HB PRO 29 12.525 6.563 -5.849 220 HG2 PRO 29 2HG PRO 29 9.493 6.607 -6.020 221 HG3 PRO 29 3HG PRO 29 10.667 6.230 -7.323 222 HD2 PRO 29 2HD PRO 29 9.455 4.282 -5.872 223 HD3 PRO 29 3HD PRO 29 11.163 4.118 -6.387 224 H LYS 30 H LYS 30 12.088 7.984 -2.565 225 HA LYS 30 HA LYS 30 9.737 8.169 -0.871 226 HB2 LYS 30 2HB LYS 30 10.795 9.973 0.225 227 HB3 LYS 30 3HB LYS 30 11.937 8.652 -0.034 228 HG2 LYS 30 2HG LYS 30 12.942 9.846 -1.934 229 HG3 LYS 30 3HG LYS 30 11.776 11.173 -1.728 230 HD2 LYS 30 2HD LYS 30 12.657 11.630 0.533 231 HD3 LYS 30 3HD LYS 30 13.811 10.275 0.370 232 HE2 LYS 30 2HE LYS 30 14.776 11.316 -1.625 233 HE3 LYS 30 3HE LYS 30 13.616 12.647 -1.519 234 HZ1 LYS 30 3HZ LYS 30 14.625 13.268 0.623 235 HZ2 LYS 30 1HZ LYS 30 15.699 12.039 0.525 236 HZ3 LYS 30 2HZ LYS 30 15.765 13.272 -0.542 237 H ASP 31 H ASP 31 8.565 10.205 -0.536 238 HA ASP 31 HA ASP 31 6.904 11.543 -1.233 239 HB2 ASP 31 2HB ASP 31 8.927 12.969 -1.563 240 HB3 ASP 31 3HB ASP 31 8.887 12.574 -3.281 241 H SER 32 H SER 32 6.806 8.975 -2.290 242 HA SER 32 HA SER 32 5.035 9.275 -4.661 243 HB2 SER 32 2HB SER 32 7.115 7.085 -4.235 244 HB3 SER 32 3HB SER 32 5.903 7.123 -5.522 245 HG SER 32 HG SER 32 7.972 9.037 -5.097 246 H LEU 33 H LEU 33 3.698 7.097 -4.827 247 HA LEU 33 HA LEU 33 2.582 6.666 -2.108 248 HB2 LEU 33 2HB LEU 33 1.124 7.642 -3.880 249 HB3 LEU 33 3HB LEU 33 1.367 6.189 -4.850 250 HG LEU 33 HG LEU 33 0.317 4.842 -2.997 251 HD11 LEU 33 1HD1 LEU 33 -1.109 6.059 -1.358 252 HD12 LEU 33 2HD1 LEU 33 0.605 6.360 -1.081 253 HD13 LEU 33 3HD1 LEU 33 -0.386 7.596 -1.880 254 HD21 LEU 33 3HD2 LEU 33 -1.385 7.099 -4.123 255 HD22 LEU 33 1HD2 LEU 33 -0.962 5.596 -4.977 256 HD23 LEU 33 2HD2 LEU 33 -1.978 5.531 -3.524 257 H ARG 34 H ARG 34 2.724 4.735 -1.122 258 HA ARG 34 HA ARG 34 3.307 2.267 -2.651 259 HB2 ARG 34 2HB ARG 34 5.261 1.696 -1.448 260 HB3 ARG 34 3HB ARG 34 5.478 3.284 -2.184 261 HG2 ARG 34 2HG ARG 34 5.126 4.355 0.038 262 HG3 ARG 34 3HG ARG 34 4.944 2.744 0.773 263 HD2 ARG 34 2HD ARG 34 7.208 2.114 -0.031 264 HD3 ARG 34 3HD ARG 34 7.377 3.709 -0.788 265 HE ARG 34 HE ARG 34 6.855 3.845 2.092 266 HH11 ARG 34 1HH2 ARG 34 9.486 3.708 -0.275 267 HH12 ARG 34 2HH2 ARG 34 10.597 4.380 0.888 268 HH21 ARG 34 1HH1 ARG 34 8.278 4.512 3.417 269 HH22 ARG 34 2HH1 ARG 34 10.008 4.547 3.025 270 H MET 35 H MET 35 3.159 0.341 -1.446 271 HA MET 35 HA MET 35 1.378 0.469 0.925 272 HB2 MET 35 2HB MET 35 0.899 -1.069 -1.651 273 HB3 MET 35 3HB MET 35 0.081 -1.446 -0.122 274 HG2 MET 35 2HG MET 35 -0.813 0.819 -0.020 275 HG3 MET 35 3HG MET 35 -0.052 1.211 -1.569 276 HE1 MET 35 3HE MET 35 -3.829 -1.368 -0.840 277 HE2 MET 35 1HE MET 35 -2.269 -1.689 -0.047 278 HE3 MET 35 2HE MET 35 -3.147 -0.176 0.289 279 H ALA 36 H ALA 36 1.201 -1.594 2.066 280 HA ALA 36 HA ALA 36 3.422 -3.451 1.648 281 HB1 ALA 36 1HB ALA 36 4.761 -2.658 3.260 282 HB2 ALA 36 2HB ALA 36 3.613 -1.365 3.620 283 HB3 ALA 36 3HB ALA 36 3.494 -2.925 4.460 284 H ILE 37 H ILE 37 3.278 -5.395 3.066 285 HA ILE 37 HA ILE 37 0.490 -5.954 3.995 286 HB ILE 37 HB ILE 37 2.175 -7.337 1.993 287 HG12 ILE 37 2HG1 ILE 37 -0.800 -7.521 2.625 288 HG13 ILE 37 3HG1 ILE 37 -0.089 -6.151 1.776 289 HG21 ILE 37 1HG2 ILE 37 0.625 -9.055 3.954 290 HG22 ILE 37 2HG2 ILE 37 1.378 -9.569 2.415 291 HG23 ILE 37 3HG2 ILE 37 2.397 -9.020 3.738 292 HD11 ILE 37 3HD1 ILE 37 0.725 -7.636 -0.010 293 HD12 ILE 37 1HD1 ILE 37 -0.060 -9.016 0.785 294 HD13 ILE 37 2HD1 ILE 37 -1.035 -7.662 0.165 295 H MET 38 H MET 38 0.184 -7.083 5.802 296 HA MET 38 HA MET 38 2.515 -7.183 7.605 297 HB2 MET 38 2HB MET 38 -0.434 -7.542 8.216 298 HB3 MET 38 3HB MET 38 0.840 -7.278 9.402 299 HG2 MET 38 2HG MET 38 0.221 -5.171 7.310 300 HG3 MET 38 3HG MET 38 -0.787 -5.370 8.722 301 HE1 MET 38 3HE MET 38 3.615 -4.050 8.791 302 HE2 MET 38 1HE MET 38 3.249 -5.781 8.919 303 HE3 MET 38 2HE MET 38 2.752 -4.886 7.465 304 H VAL 39 H VAL 39 3.670 -8.956 7.360 305 HA VAL 39 HA VAL 39 2.254 -11.592 7.630 306 HB VAL 39 HB VAL 39 3.493 -11.462 5.583 307 HG11 VAL 39 1HG1 VAL 39 5.264 -9.866 6.164 308 HG12 VAL 39 2HG1 VAL 39 6.000 -11.061 7.262 309 HG13 VAL 39 3HG1 VAL 39 5.927 -11.375 5.519 310 HG21 VAL 39 3HG2 VAL 39 3.303 -13.632 6.758 311 HG22 VAL 39 1HG2 VAL 39 4.741 -13.503 5.736 312 HG23 VAL 39 2HG2 VAL 39 4.904 -13.351 7.492 313 H GLN 40 H GLN 40 2.755 -12.992 9.213 314 HA GLN 40 HA GLN 40 3.880 -11.946 11.666 315 HB2 GLN 40 2HB GLN 40 3.560 -14.380 12.408 316 HB3 GLN 40 3HB GLN 40 2.137 -13.419 12.019 317 HG2 GLN 40 2HG GLN 40 1.850 -14.506 9.878 318 HG3 GLN 40 3HG GLN 40 3.402 -15.337 10.018 319 HE21 GLN 40 2HE2 GLN 40 0.096 -15.154 11.462 320 HE22 GLN 40 1HE2 GLN 40 0.156 -16.789 12.105 321 H SER 41 H SER 41 5.895 -12.004 12.431 322 HA SER 41 HA SER 41 7.984 -13.180 10.724 323 HB2 SER 41 2HB SER 41 8.120 -10.818 11.236 324 HB3 SER 41 3HB SER 41 8.131 -11.170 12.974 325 HG SER 41 HG SER 41 10.220 -10.938 11.511 326 HA PRO 42 HA PRO 42 9.138 -16.035 13.955 327 HB2 PRO 42 2HB PRO 42 11.249 -17.277 12.773 328 HB3 PRO 42 3HB PRO 42 9.568 -17.517 12.201 329 HG2 PRO 42 2HG PRO 42 11.659 -15.622 11.102 330 HG3 PRO 42 3HG PRO 42 10.628 -16.768 10.189 331 HD2 PRO 42 2HD PRO 42 10.003 -14.087 10.517 332 HD3 PRO 42 3HD PRO 42 8.751 -15.352 10.363 333 H MET 43 H MET 43 10.889 -13.315 12.782 334 HA MET 43 HA MET 43 13.115 -13.577 14.744 335 HB2 MET 43 2HB MET 43 12.723 -11.810 12.341 336 HB3 MET 43 3HB MET 43 14.037 -11.592 13.491 337 HG2 MET 43 2HG MET 43 15.101 -13.577 12.962 338 HG3 MET 43 3HG MET 43 13.648 -14.341 12.321 339 HE1 MET 43 3HE MET 43 12.288 -12.899 10.513 340 HE2 MET 43 1HE MET 43 13.062 -12.827 8.904 341 HE3 MET 43 2HE MET 43 12.964 -14.367 9.791 342 H PHE 44 H PHE 44 10.366 -11.498 13.899 343 HA PHE 44 HA PHE 44 10.917 -9.657 16.172 344 HB2 PHE 44 2HB PHE 44 10.785 -8.583 14.017 345 HB3 PHE 44 3HB PHE 44 9.259 -9.368 13.653 346 HD1 PHE 44 HD1 PHE 44 10.819 -7.016 16.146 347 HD2 PHE 44 HD2 PHE 44 7.232 -8.261 14.099 348 HE1 PHE 44 HE1 PHE 44 9.571 -5.125 17.170 349 HE2 PHE 44 HE2 PHE 44 5.994 -6.361 15.110 350 HZ PHE 44 HZ PHE 44 7.159 -4.799 16.655 351 H ASP 45 H ASP 45 9.147 -8.944 17.458 352 HA ASP 45 HA ASP 45 7.541 -11.218 18.386 353 HB2 ASP 45 2HB ASP 45 9.001 -9.899 19.898 354 HB3 ASP 45 3HB ASP 45 7.981 -8.485 19.632 355 H GLY 46 H GLY 46 6.507 -10.558 16.032 356 HA2 GLY 46 2HA GLY 46 3.779 -10.205 16.212 357 HA3 GLY 46 3HA GLY 46 4.392 -8.549 16.144 358 H LYS 47 H LYS 47 3.549 -8.059 14.152 359 HA LYS 47 HA LYS 47 4.423 -9.697 11.818 360 HB2 LYS 47 2HB LYS 47 2.057 -7.806 11.847 361 HB3 LYS 47 3HB LYS 47 2.508 -8.996 10.626 362 HG2 LYS 47 2HG LYS 47 2.301 -10.589 12.897 363 HG3 LYS 47 3HG LYS 47 1.090 -9.359 13.231 364 HD2 LYS 47 2HD LYS 47 1.302 -11.219 10.846 365 HD3 LYS 47 3HD LYS 47 0.132 -11.330 12.155 366 HE2 LYS 47 2HE LYS 47 0.302 -9.130 10.052 367 HE3 LYS 47 3HE LYS 47 -0.821 -10.482 10.032 368 HZ1 LYS 47 3HZ LYS 47 -1.812 -9.618 12.088 369 HZ2 LYS 47 1HZ LYS 47 -0.787 -8.333 12.109 370 HZ3 LYS 47 2HZ LYS 47 -1.867 -8.486 10.900 371 H VAL 48 H VAL 48 5.141 -8.789 9.965 372 HA VAL 48 HA VAL 48 6.391 -6.092 10.250 373 HB VAL 48 HB VAL 48 8.402 -7.002 9.177 374 HG11 VAL 48 1HG1 VAL 48 7.617 -8.541 11.691 375 HG12 VAL 48 2HG1 VAL 48 9.262 -8.196 11.125 376 HG13 VAL 48 3HG1 VAL 48 8.215 -6.871 11.654 377 HG21 VAL 48 3HG2 VAL 48 7.094 -9.742 9.505 378 HG22 VAL 48 1HG2 VAL 48 7.465 -8.943 7.966 379 HG23 VAL 48 2HG2 VAL 48 8.779 -9.435 9.043 380 HA PRO 49 HA PRO 49 4.644 -5.340 6.337 381 HB2 PRO 49 2HB PRO 49 5.872 -3.038 5.529 382 HB3 PRO 49 3HB PRO 49 4.816 -3.116 6.969 383 HG2 PRO 49 2HG PRO 49 7.846 -3.266 6.862 384 HG3 PRO 49 3HG PRO 49 6.824 -2.266 7.939 385 HD2 PRO 49 2HD PRO 49 7.879 -4.676 8.715 386 HD3 PRO 49 3HD PRO 49 6.287 -4.097 9.291 387 H HIS 50 H HIS 50 4.785 -6.291 4.399 388 HA HIS 50 HA HIS 50 7.385 -6.402 2.908 389 HB2 HIS 50 2HB HIS 50 4.770 -7.935 2.751 390 HB3 HIS 50 3HB HIS 50 5.838 -7.846 1.359 391 HD2 HIS 50 HD2 HIS 50 7.157 -8.160 4.962 392 HE1 HIS 50 HE1 HIS 50 8.135 -11.794 2.956 393 HE2 HIS 50 HE2 HIS 50 8.491 -10.445 5.086 394 H TRP 51 H TRP 51 7.706 -4.449 1.954 395 HA TRP 51 HA TRP 51 5.491 -2.798 1.118 396 HB2 TRP 51 2HB TRP 51 8.468 -2.448 0.698 397 HB3 TRP 51 3HB TRP 51 7.229 -1.238 0.394 398 HD1 TRP 51 HD1 TRP 51 9.261 -2.763 3.166 399 HE1 TRP 51 HE1 TRP 51 8.865 -1.503 5.360 400 HE3 TRP 51 HE3 TRP 51 5.288 0.170 1.728 401 HZ2 TRP 51 HZ2 TRP 51 7.034 0.450 6.389 402 HZ3 TRP 51 HZ3 TRP 51 4.203 1.683 3.393 403 HH2 TRP 51 HH2 TRP 51 5.126 1.875 5.694 404 H TYR 52 H TYR 52 4.965 -2.071 -0.938 405 HA TYR 52 HA TYR 52 6.456 -2.988 -3.271 406 HB2 TYR 52 2HB TYR 52 3.548 -3.391 -3.639 407 HB3 TYR 52 3HB TYR 52 4.962 -4.208 -4.313 408 HD1 TYR 52 HD2 TYR 52 3.104 -4.076 -1.004 409 HD2 TYR 52 HD1 TYR 52 5.198 -6.404 -3.956 410 HE1 TYR 52 HE2 TYR 52 2.491 -6.186 0.200 411 HE2 TYR 52 HE1 TYR 52 4.558 -8.499 -2.775 412 HH TYR 52 HH TYR 52 3.525 -9.407 -0.956 413 H HIS 53 H HIS 53 5.837 -1.771 -5.203 414 HA HIS 53 HA HIS 53 5.086 0.997 -4.868 415 HB2 HIS 53 2HB HIS 53 4.749 -0.753 -7.340 416 HB3 HIS 53 3HB HIS 53 4.698 0.989 -7.302 417 HD2 HIS 53 HD2 HIS 53 7.022 2.305 -6.635 418 HE1 HIS 53 HE1 HIS 53 9.587 -0.756 -8.098 419 HE2 HIS 53 HE2 HIS 53 9.477 1.660 -7.369 420 H PHE 54 H PHE 54 3.030 2.058 -5.454 421 HA PHE 54 HA PHE 54 0.732 1.016 -4.288 422 HB2 PHE 54 2HB PHE 54 0.777 3.320 -4.779 423 HB3 PHE 54 3HB PHE 54 1.122 3.057 -6.483 424 HD1 PHE 54 HD1 PHE 54 -1.594 2.790 -3.895 425 HD2 PHE 54 HD2 PHE 54 -0.610 2.732 -8.100 426 HE1 PHE 54 HE1 PHE 54 -4.015 2.842 -4.481 427 HE2 PHE 54 HE2 PHE 54 -3.028 2.723 -8.661 428 HZ PHE 54 HZ PHE 54 -4.725 2.748 -6.852 429 H SER 55 H SER 55 1.661 0.643 -7.783 430 HA SER 55 HA SER 55 -0.832 -0.731 -8.425 431 HB2 SER 55 2HB SER 55 0.108 -0.954 -10.644 432 HB3 SER 55 3HB SER 55 0.264 0.708 -10.054 433 HG SER 55 HG SER 55 2.263 0.357 -10.737 434 H CYS 56 HN CYS 56 2.483 -1.698 -7.595 435 HA CYS 56 HA CYS 56 2.302 -4.394 -8.352 436 HB2 CYS 56 2HB CYS 56 3.970 -2.952 -6.277 437 HB3 CYS 56 3HB CYS 56 4.213 -4.642 -6.716 438 H PHE 57 H PHE 57 1.326 -2.817 -5.319 439 HA PHE 57 HA PHE 57 0.573 -5.100 -3.777 440 HB2 PHE 57 2HB PHE 57 0.660 -2.776 -3.012 441 HB3 PHE 57 3HB PHE 57 -0.758 -2.385 -3.982 442 HD1 PHE 57 HD2 PHE 57 -2.967 -3.545 -3.483 443 HD2 PHE 57 HD1 PHE 57 0.444 -3.807 -0.857 444 HE1 PHE 57 HE2 PHE 57 -4.445 -4.279 -1.646 445 HE2 PHE 57 HE1 PHE 57 -1.065 -4.411 1.020 446 HZ PHE 57 HZ PHE 57 -3.492 -4.693 0.622 447 H TRP 58 H TRP 58 -1.302 -3.282 -6.261 448 HA TRP 58 HA TRP 58 -3.529 -5.130 -6.195 449 HB2 TRP 58 2HB TRP 58 -2.826 -3.039 -8.251 450 HB3 TRP 58 3HB TRP 58 -4.383 -3.798 -8.024 451 HD1 TRP 58 HD1 TRP 58 -2.694 -0.743 -7.341 452 HE1 TRP 58 HE1 TRP 58 -3.514 0.570 -5.326 453 HE3 TRP 58 HE3 TRP 58 -5.755 -4.307 -5.220 454 HZ2 TRP 58 HZ2 TRP 58 -5.306 0.176 -3.097 455 HZ3 TRP 58 HZ3 TRP 58 -6.979 -3.792 -3.145 456 HH2 TRP 58 HH2 TRP 58 -6.753 -1.565 -2.062 457 H LYS 59 H LYS 59 -0.465 -5.318 -7.806 458 HA LYS 59 HA LYS 59 -1.329 -7.368 -9.750 459 HB2 LYS 59 2HB LYS 59 1.440 -6.562 -8.811 460 HB3 LYS 59 3HB LYS 59 1.112 -7.754 -10.065 461 HG2 LYS 59 2HG LYS 59 0.171 -6.135 -11.547 462 HG3 LYS 59 3HG LYS 59 0.041 -4.943 -10.264 463 HD2 LYS 59 2HD LYS 59 2.750 -5.355 -10.213 464 HD3 LYS 59 3HD LYS 59 2.426 -5.684 -11.917 465 HE2 LYS 59 2HE LYS 59 1.523 -3.510 -12.284 466 HE3 LYS 59 3HE LYS 59 1.173 -3.286 -10.568 467 HZ1 LYS 59 3HZ LYS 59 3.601 -3.173 -10.161 468 HZ2 LYS 59 1HZ LYS 59 3.872 -3.180 -11.780 469 HZ3 LYS 59 2HZ LYS 59 3.040 -1.949 -11.061 470 H VAL 60 H VAL 60 -0.239 -7.290 -6.385 471 HA VAL 60 HA VAL 60 -0.278 -10.237 -6.143 472 HB VAL 60 HB VAL 60 -0.429 -8.150 -3.938 473 HG11 VAL 60 1HG1 VAL 60 0.278 -11.115 -3.857 474 HG12 VAL 60 2HG1 VAL 60 0.336 -9.984 -2.486 475 HG13 VAL 60 3HG1 VAL 60 -1.215 -10.394 -3.228 476 HG21 VAL 60 3HG2 VAL 60 1.702 -7.937 -5.188 477 HG22 VAL 60 1HG2 VAL 60 1.963 -8.636 -3.592 478 HG23 VAL 60 2HG2 VAL 60 1.972 -9.687 -5.023 479 H GLY 61 H GLY 61 -2.537 -7.529 -5.651 480 HA2 GLY 61 2HA GLY 61 -4.732 -7.491 -6.330 481 HA3 GLY 61 3HA GLY 61 -4.586 -9.178 -6.809 482 H HIS 62 H HIS 62 -4.309 -7.757 -3.520 483 HA HIS 62 HA HIS 62 -6.209 -9.638 -2.369 484 HB2 HIS 62 2HB HIS 62 -4.831 -7.149 -1.305 485 HB3 HIS 62 3HB HIS 62 -6.013 -8.058 -0.374 486 HD2 HIS 62 HD2 HIS 62 -2.512 -8.557 -1.988 487 HE1 HIS 62 HE1 HIS 62 -2.945 -11.506 1.062 488 HE2 HIS 62 HE2 HIS 62 -1.354 -10.510 -0.650 489 H SER 63 H SER 63 -8.328 -9.409 -1.833 490 HA SER 63 HA SER 63 -9.843 -7.142 -2.993 491 HB2 SER 63 2HB SER 63 -10.783 -9.711 -1.672 492 HB3 SER 63 3HB SER 63 -11.827 -8.478 -2.406 493 HG SER 63 HG SER 63 -11.345 -10.212 -3.854 494 H ILE 64 H ILE 64 -10.273 -5.395 -1.820 495 HA ILE 64 HA ILE 64 -10.372 -5.527 1.179 496 HB ILE 64 HB ILE 64 -8.949 -3.505 -0.596 497 HG12 ILE 64 2HG1 ILE 64 -7.814 -5.583 1.304 498 HG13 ILE 64 3HG1 ILE 64 -7.720 -5.620 -0.454 499 HG21 ILE 64 1HG2 ILE 64 -8.971 -3.607 2.465 500 HG22 ILE 64 2HG2 ILE 64 -8.175 -2.404 1.435 501 HG23 ILE 64 3HG2 ILE 64 -9.929 -2.474 1.485 502 HD11 ILE 64 3HD1 ILE 64 -6.322 -3.636 1.358 503 HD12 ILE 64 1HD1 ILE 64 -5.634 -4.884 0.314 504 HD13 ILE 64 2HD1 ILE 64 -6.433 -3.467 -0.412 505 H ARG 65 H ARG 65 -12.266 -4.921 1.832 506 HA ARG 65 HA ARG 65 -13.834 -2.883 0.332 507 HB2 ARG 65 2HB ARG 65 -15.904 -3.998 0.902 508 HB3 ARG 65 3HB ARG 65 -14.875 -4.957 -0.134 509 HG2 ARG 65 2HG ARG 65 -15.064 -5.419 2.876 510 HG3 ARG 65 3HG ARG 65 -16.138 -6.173 1.695 511 HD2 ARG 65 2HD ARG 65 -14.134 -7.130 0.523 512 HD3 ARG 65 3HD ARG 65 -13.129 -6.527 1.849 513 HE ARG 65 HE ARG 65 -15.326 -8.131 2.823 514 HH11 ARG 65 1HH2 ARG 65 -12.104 -8.499 1.420 515 HH12 ARG 65 2HH2 ARG 65 -11.892 -10.055 2.158 516 HH21 ARG 65 1HH1 ARG 65 -14.957 -10.127 3.700 517 HH22 ARG 65 2HH1 ARG 65 -13.457 -10.952 3.400 518 H HIS 66 H HIS 66 -12.027 -3.035 2.761 519 HA HIS 66 HA HIS 66 -13.363 -1.096 4.532 520 HB2 HIS 66 2HB HIS 66 -12.500 -2.605 6.448 521 HB3 HIS 66 3HB HIS 66 -13.913 -3.166 5.579 522 HD2 HIS 66 HD2 HIS 66 -13.863 -5.573 4.979 523 HE1 HIS 66 HE1 HIS 66 -9.740 -6.181 4.088 524 HE2 HIS 66 HE2 HIS 66 -12.011 -7.332 4.254 525 HA PRO 67 HA PRO 67 -8.805 -0.895 3.516 526 HB2 PRO 67 2HB PRO 67 -8.602 1.471 2.040 527 HB3 PRO 67 3HB PRO 67 -8.852 -0.146 1.327 528 HG2 PRO 67 2HG PRO 67 -10.937 1.923 2.030 529 HG3 PRO 67 3HG PRO 67 -10.781 0.965 0.513 530 HD2 PRO 67 2HD PRO 67 -12.527 0.246 2.477 531 HD3 PRO 67 3HD PRO 67 -11.605 -0.980 1.567 532 H ASP 68 H ASP 68 -11.037 1.625 4.638 533 HA ASP 68 HA ASP 68 -8.923 3.106 5.998 534 HB2 ASP 68 2HB ASP 68 -10.743 4.476 6.917 535 HB3 ASP 68 3HB ASP 68 -10.790 4.341 5.166 536 H VAL 69 H VAL 69 -10.401 0.185 6.675 537 HA VAL 69 HA VAL 69 -10.034 0.357 9.621 538 HB VAL 69 HB VAL 69 -11.101 -2.019 8.077 539 HG11 VAL 69 1HG1 VAL 69 -11.453 -1.146 10.969 540 HG12 VAL 69 2HG1 VAL 69 -12.140 -2.604 10.216 541 HG13 VAL 69 3HG1 VAL 69 -10.392 -2.451 10.392 542 HG21 VAL 69 3HG2 VAL 69 -13.393 -1.319 8.656 543 HG22 VAL 69 1HG2 VAL 69 -12.768 0.242 9.249 544 HG23 VAL 69 2HG2 VAL 69 -12.644 -0.195 7.528 545 H GLU 70 H GLU 70 -9.014 -1.494 6.732 546 HA GLU 70 HA GLU 70 -7.009 -2.962 8.385 547 HB2 GLU 70 2HB GLU 70 -8.323 -3.605 5.728 548 HB3 GLU 70 3HB GLU 70 -7.055 -4.582 6.452 549 HG2 GLU 70 2HG GLU 70 -9.797 -4.053 7.655 550 HG3 GLU 70 3HG GLU 70 -9.243 -5.549 6.913 551 H VAL 71 H VAL 71 -7.059 -0.860 5.518 552 HA VAL 71 HA VAL 71 -4.117 -1.135 5.102 553 HB VAL 71 HB VAL 71 -5.948 0.888 3.849 554 HG11 VAL 71 1HG1 VAL 71 -3.182 -0.175 3.199 555 HG12 VAL 71 2HG1 VAL 71 -4.098 1.105 2.353 556 HG13 VAL 71 3HG1 VAL 71 -3.526 1.365 4.019 557 HG21 VAL 71 3HG2 VAL 71 -6.642 -1.439 3.193 558 HG22 VAL 71 1HG2 VAL 71 -5.849 -0.576 1.867 559 HG23 VAL 71 2HG2 VAL 71 -4.963 -1.804 2.796 560 H ASP 72 H ASP 72 -3.184 -0.709 6.997 561 HA ASP 72 HA ASP 72 -3.595 1.591 8.655 562 HB2 ASP 72 2HB ASP 72 -2.297 -0.397 9.315 563 HB3 ASP 72 3HB ASP 72 -1.092 -0.047 8.075 564 H GLY 73 H GLY 73 -2.701 3.652 8.589 565 HA2 GLY 73 2HA GLY 73 -1.317 5.409 7.926 566 HA3 GLY 73 3HA GLY 73 -0.575 4.363 6.715 567 H PHE 74 H PHE 74 -3.787 4.087 6.072 568 HA PHE 74 HA PHE 74 -4.025 5.795 3.803 569 HB2 PHE 74 2HB PHE 74 -5.426 3.839 4.288 570 HB3 PHE 74 3HB PHE 74 -6.009 4.561 5.776 571 HD1 PHE 74 HD2 PHE 74 -6.234 4.659 2.080 572 HD2 PHE 74 HD1 PHE 74 -7.816 6.166 5.801 573 HE1 PHE 74 HE2 PHE 74 -8.243 5.497 0.894 574 HE2 PHE 74 HE1 PHE 74 -9.821 7.013 4.606 575 HZ PHE 74 HZ PHE 74 -10.055 6.653 2.163 576 H SER 75 H SER 75 -4.389 6.535 7.218 577 HA SER 75 HA SER 75 -5.649 9.115 7.045 578 HB2 SER 75 2HB SER 75 -4.505 9.399 9.299 579 HB3 SER 75 3HB SER 75 -5.599 8.008 9.143 580 HG SER 75 HG SER 75 -3.581 7.465 10.140 581 H GLU 76 H GLU 76 -2.386 8.101 6.256 582 HA GLU 76 HA GLU 76 -1.207 10.768 6.614 583 HB2 GLU 76 2HB GLU 76 0.008 8.236 5.441 584 HB3 GLU 76 3HB GLU 76 0.868 9.688 5.929 585 HG2 GLU 76 2HG GLU 76 0.343 9.319 8.273 586 HG3 GLU 76 3HG GLU 76 -0.708 7.954 7.880 587 H LEU 77 H LEU 77 -2.985 9.298 4.148 588 HA LEU 77 HA LEU 77 -1.525 10.289 1.816 589 HB2 LEU 77 2HB LEU 77 -4.089 8.777 2.332 590 HB3 LEU 77 3HB LEU 77 -3.843 9.513 0.766 591 HG LEU 77 HG LEU 77 -1.965 8.186 0.262 592 HD11 LEU 77 1HD1 LEU 77 -2.042 7.051 3.063 593 HD12 LEU 77 2HD1 LEU 77 -1.023 6.472 1.721 594 HD13 LEU 77 3HD1 LEU 77 -0.769 8.087 2.377 595 HD21 LEU 77 3HD2 LEU 77 -4.094 6.472 1.583 596 HD22 LEU 77 1HD2 LEU 77 -4.167 7.169 -0.050 597 HD23 LEU 77 2HD2 LEU 77 -2.947 5.947 0.332 598 H ARG 78 H ARG 78 -2.305 11.715 0.248 599 HA ARG 78 HA ARG 78 -3.834 14.041 1.106 600 HB2 ARG 78 2HB ARG 78 -2.524 13.093 -1.437 601 HB3 ARG 78 3HB ARG 78 -3.826 14.252 -1.622 602 HG2 ARG 78 2HG ARG 78 -1.484 14.717 0.269 603 HG3 ARG 78 3HG ARG 78 -1.464 15.220 -1.421 604 HD2 ARG 78 2HD ARG 78 -3.614 16.091 0.560 605 HD3 ARG 78 3HD ARG 78 -2.143 17.021 0.224 606 HE ARG 78 HE ARG 78 -3.182 16.628 -2.284 607 HH11 ARG 78 1HH2 ARG 78 -4.510 18.109 0.604 608 HH12 ARG 78 2HH2 ARG 78 -5.586 19.126 -0.310 609 HH21 ARG 78 1HH1 ARG 78 -4.551 17.984 -3.381 610 HH22 ARG 78 2HH1 ARG 78 -5.598 19.058 -2.504 611 H TRP 79 H TRP 79 -5.778 14.767 0.232 612 HA TRP 79 HA TRP 79 -7.893 12.973 0.576 613 HB2 TRP 79 2HB TRP 79 -8.643 15.025 1.014 614 HB3 TRP 79 3HB TRP 79 -7.495 15.805 -0.044 615 HD1 TRP 79 HD1 TRP 79 -11.101 14.812 0.133 616 HE1 TRP 79 HE1 TRP 79 -12.352 15.766 -1.902 617 HE3 TRP 79 HE3 TRP 79 -7.077 16.281 -2.665 618 HZ2 TRP 79 HZ2 TRP 79 -11.677 16.923 -4.473 619 HZ3 TRP 79 HZ3 TRP 79 -7.395 17.267 -4.915 620 HH2 TRP 79 HH2 TRP 79 -9.689 17.595 -5.833 621 H ASP 80 H ASP 80 -6.387 13.931 -2.520 622 HA ASP 80 HA ASP 80 -8.321 12.567 -4.196 623 HB2 ASP 80 2HB ASP 80 -6.854 14.433 -4.933 624 HB3 ASP 80 3HB ASP 80 -5.445 13.392 -4.738 625 H ASP 81 H ASP 81 -5.646 11.415 -2.321 626 HA ASP 81 HA ASP 81 -5.186 9.005 -3.993 627 HB2 ASP 81 2HB ASP 81 -3.657 10.179 -1.649 628 HB3 ASP 81 3HB ASP 81 -3.346 8.576 -2.314 629 H GLN 82 H GLN 82 -6.367 10.008 -0.764 630 HA GLN 82 HA GLN 82 -7.141 7.451 0.205 631 HB2 GLN 82 2HB GLN 82 -8.337 10.242 0.490 632 HB3 GLN 82 3HB GLN 82 -9.021 8.831 1.307 633 HG2 GLN 82 2HG GLN 82 -6.874 8.381 2.419 634 HG3 GLN 82 3HG GLN 82 -6.149 9.785 1.630 635 HE21 GLN 82 2HE2 GLN 82 -6.227 9.424 4.446 636 HE22 GLN 82 1HE2 GLN 82 -7.222 10.736 5.097 637 H GLN 83 H GLN 83 -9.001 9.751 -1.873 638 HA GLN 83 HA GLN 83 -11.256 8.060 -2.263 639 HB2 GLN 83 2HB GLN 83 -10.059 10.240 -4.023 640 HB3 GLN 83 3HB GLN 83 -11.640 9.497 -4.299 641 HG2 GLN 83 2HG GLN 83 -12.466 10.291 -2.141 642 HG3 GLN 83 3HG GLN 83 -10.869 10.928 -1.729 643 HE21 GLN 83 2HE2 GLN 83 -10.086 12.797 -2.811 644 HE22 GLN 83 1HE2 GLN 83 -11.165 13.854 -3.723 645 H LYS 84 H LYS 84 -8.149 8.136 -4.046 646 HA LYS 84 HA LYS 84 -9.046 6.380 -6.178 647 HB2 LYS 84 2HB LYS 84 -7.542 8.178 -6.618 648 HB3 LYS 84 3HB LYS 84 -6.450 7.702 -5.332 649 HG2 LYS 84 2HG LYS 84 -6.953 5.824 -7.647 650 HG3 LYS 84 3HG LYS 84 -5.906 7.218 -7.871 651 HD2 LYS 84 2HD LYS 84 -5.530 5.060 -5.775 652 HD3 LYS 84 3HD LYS 84 -4.624 5.207 -7.288 653 HE2 LYS 84 2HE LYS 84 -4.557 7.069 -4.882 654 HE3 LYS 84 3HE LYS 84 -3.302 5.945 -5.379 655 HZ1 LYS 84 3HZ LYS 84 -2.935 8.313 -6.014 656 HZ2 LYS 84 1HZ LYS 84 -2.851 7.280 -7.300 657 HZ3 LYS 84 2HZ LYS 84 -4.169 8.229 -7.067 658 H VAL 85 H VAL 85 -7.221 6.053 -3.112 659 HA VAL 85 HA VAL 85 -6.643 3.228 -3.533 660 HB VAL 85 HB VAL 85 -6.668 4.991 -1.054 661 HG11 VAL 85 1HG1 VAL 85 -7.263 2.787 -0.175 662 HG12 VAL 85 2HG1 VAL 85 -5.982 2.016 -1.144 663 HG13 VAL 85 3HG1 VAL 85 -5.570 3.115 0.184 664 HG21 VAL 85 3HG2 VAL 85 -4.388 3.460 -2.378 665 HG22 VAL 85 1HG2 VAL 85 -4.776 5.155 -2.754 666 HG23 VAL 85 2HG2 VAL 85 -4.275 4.697 -1.121 667 H LYS 86 H LYS 86 -9.325 4.930 -1.783 668 HA LYS 86 HA LYS 86 -10.721 2.489 -1.160 669 HB2 LYS 86 2HB LYS 86 -11.841 5.299 -1.573 670 HB3 LYS 86 3HB LYS 86 -12.751 3.906 -0.991 671 HG2 LYS 86 2HG LYS 86 -10.746 3.766 0.795 672 HG3 LYS 86 3HG LYS 86 -10.550 5.447 0.361 673 HD2 LYS 86 2HD LYS 86 -11.890 5.254 2.368 674 HD3 LYS 86 3HD LYS 86 -12.889 5.921 1.062 675 HE2 LYS 86 2HE LYS 86 -13.986 3.806 0.726 676 HE3 LYS 86 3HE LYS 86 -12.795 2.960 1.729 677 HZ1 LYS 86 3HZ LYS 86 -14.992 3.433 2.827 678 HZ2 LYS 86 1HZ LYS 86 -13.692 3.893 3.677 679 HZ3 LYS 86 2HZ LYS 86 -14.595 5.017 2.868 680 H LYS 87 H LYS 87 -11.045 4.640 -4.029 681 HA LYS 87 HA LYS 87 -13.026 3.015 -5.324 682 HB2 LYS 87 2HB LYS 87 -12.521 5.337 -5.908 683 HB3 LYS 87 3HB LYS 87 -10.964 4.846 -6.604 684 HG2 LYS 87 2HG LYS 87 -12.062 3.543 -8.324 685 HG3 LYS 87 3HG LYS 87 -13.637 3.679 -7.510 686 HD2 LYS 87 2HD LYS 87 -13.612 6.109 -7.829 687 HD3 LYS 87 3HD LYS 87 -12.072 6.010 -8.697 688 HE2 LYS 87 2HE LYS 87 -14.666 4.626 -9.543 689 HE3 LYS 87 3HE LYS 87 -14.143 6.200 -10.152 690 HZ1 LYS 87 3HZ LYS 87 -12.152 5.124 -11.061 691 HZ2 LYS 87 1HZ LYS 87 -12.653 3.657 -10.533 692 HZ3 LYS 87 2HZ LYS 87 -13.501 4.448 -11.678 693 H THR 88 H THR 88 -9.446 2.861 -5.580 694 HA THR 88 HA THR 88 -9.390 0.737 -7.461 695 HB THR 88 HB THR 88 -7.265 1.482 -5.436 696 HG1 THR 88 1HG THR 88 -7.690 3.186 -6.741 697 HG21 THR 88 1HG2 THR 88 -7.212 -0.072 -8.052 698 HG22 THR 88 2HG2 THR 88 -5.771 0.505 -7.181 699 HG23 THR 88 3HG2 THR 88 -6.823 -0.704 -6.434 700 H ALA 89 H ALA 89 -9.602 0.673 -3.890 701 HA ALA 89 HA ALA 89 -9.202 -2.175 -3.628 702 HB1 ALA 89 1HB ALA 89 -9.964 -1.712 -1.332 703 HB2 ALA 89 2HB ALA 89 -8.759 -0.530 -1.847 704 HB3 ALA 89 3HB ALA 89 -10.482 -0.091 -1.804 705 H GLU 90 H GLU 90 -12.085 -0.020 -3.892 706 HA GLU 90 HA GLU 90 -14.028 -2.123 -3.807 707 HB2 GLU 90 2HB GLU 90 -14.130 0.656 -5.058 708 HB3 GLU 90 3HB GLU 90 -15.507 -0.448 -5.008 709 HG2 GLU 90 2HG GLU 90 -15.339 -0.523 -2.518 710 HG3 GLU 90 3HG GLU 90 -14.059 0.685 -2.593 711 H ALA 91 H ALA 91 -12.189 -0.715 -6.469 712 HA ALA 91 HA ALA 91 -13.433 -2.209 -8.587 713 HB1 ALA 91 1HB ALA 91 -10.808 -0.664 -8.383 714 HB2 ALA 91 2HB ALA 91 -11.571 -1.199 -9.898 715 HB3 ALA 91 3HB ALA 91 -12.374 -0.001 -8.859 716 H GLY 92 H GLY 92 -11.350 -3.328 -6.156 717 HA2 GLY 92 2HA GLY 92 -10.292 -5.340 -5.849 718 HA3 GLY 92 3HA GLY 92 -10.920 -5.897 -7.405 719 H GLY 93 H GLY 93 -8.930 -2.982 -7.179 720 HA2 GLY 93 2HA GLY 93 -6.591 -2.802 -7.359 721 HA3 GLY 93 3HA GLY 93 -6.484 -4.399 -8.085 722 H VAL 94 H VAL 94 -5.410 -1.822 -8.904 723 HA VAL 94 HA VAL 94 -6.120 -2.052 -11.762 724 HB VAL 94 HB VAL 94 -7.270 -0.009 -10.729 725 HG11 VAL 94 1HG1 VAL 94 -5.261 0.784 -9.395 726 HG12 VAL 94 2HG1 VAL 94 -4.504 1.255 -10.924 727 HG13 VAL 94 3HG1 VAL 94 -6.024 2.014 -10.413 728 HG21 VAL 94 3HG2 VAL 94 -5.398 0.490 -13.079 729 HG22 VAL 94 1HG2 VAL 94 -6.961 -0.359 -13.160 730 HG23 VAL 94 2HG2 VAL 94 -6.900 1.349 -12.698 731 H THR 95 H THR 95 -4.400 -1.641 -13.202 732 HA THR 95 HA THR 95 -1.688 -1.567 -11.955 733 HB THR 95 HB THR 95 -0.952 -3.161 -13.675 734 HG1 THR 95 1HG THR 95 -2.546 -4.312 -14.807 735 HG21 THR 95 1HG2 THR 95 -3.307 -4.262 -12.073 736 HG22 THR 95 2HG2 THR 95 -1.872 -5.146 -12.636 737 HG23 THR 95 3HG2 THR 95 -1.716 -3.901 -11.379 738 H GLY 96 H GLY 96 -0.014 -0.629 -13.046 739 HA2 GLY 96 2HA GLY 96 -0.734 1.430 -15.063 740 HA3 GLY 96 3HA GLY 96 0.717 1.374 -14.071 741 H LYS 97 H LYS 97 1.641 1.906 -16.210 742 HA LYS 97 HA LYS 97 2.581 -0.546 -17.639 743 HB2 LYS 97 2HB LYS 97 1.779 2.098 -18.928 744 HB3 LYS 97 3HB LYS 97 2.636 0.788 -19.752 745 HG2 LYS 97 2HG LYS 97 0.723 -0.752 -19.237 746 HG3 LYS 97 3HG LYS 97 -0.178 0.624 -18.588 747 HD2 LYS 97 2HD LYS 97 0.852 0.371 -21.448 748 HD3 LYS 97 3HD LYS 97 -0.806 0.059 -20.916 749 HE2 LYS 97 2HE LYS 97 -0.997 2.419 -20.135 750 HE3 LYS 97 3HE LYS 97 0.642 2.739 -20.717 751 HZ1 LYS 97 3HZ LYS 97 -0.122 2.192 -22.967 752 HZ2 LYS 97 1HZ LYS 97 -1.638 1.901 -22.429 753 HZ3 LYS 97 2HZ LYS 97 -1.019 3.408 -22.353 754 H GLY 98 H GLY 98 4.648 -0.280 -18.701 755 HA2 GLY 98 2HA GLY 98 6.843 0.484 -18.896 756 HA3 GLY 98 3HA GLY 98 6.410 1.945 -18.020 757 H GLN 99 H GLN 99 8.423 1.770 -16.945 758 HA GLN 99 HA GLN 99 8.578 -0.140 -14.660 759 HB2 GLN 99 2HB GLN 99 9.859 -1.002 -16.603 760 HB3 GLN 99 3HB GLN 99 10.783 0.503 -16.663 761 HG2 GLN 99 2HG GLN 99 11.747 -0.002 -14.428 762 HG3 GLN 99 3HG GLN 99 10.786 -1.483 -14.346 763 HE21 GLN 99 2HE2 GLN 99 13.372 -2.061 -14.016 764 HE22 GLN 99 1HE2 GLN 99 14.095 -2.616 -15.525 765 H ASP 100 H ASP 100 9.430 0.749 -12.788 766 HA ASP 100 HA ASP 100 10.651 3.439 -12.810 767 HB2 ASP 100 2HB ASP 100 8.197 3.820 -12.726 768 HB3 ASP 100 3HB ASP 100 8.092 2.792 -11.293 769 H GLY 101 H GLY 101 11.827 3.956 -10.968 770 HA2 GLY 101 2HA GLY 101 13.116 3.576 -9.074 771 HA3 GLY 101 3HA GLY 101 12.124 2.175 -8.684 772 H ILE 102 H ILE 102 14.616 1.754 -8.113 773 HA ILE 102 HA ILE 102 15.518 -0.222 -10.085 774 HB ILE 102 HB ILE 102 16.652 1.744 -10.869 775 HG12 ILE 102 2HG1 ILE 102 18.952 1.055 -10.863 776 HG13 ILE 102 3HG1 ILE 102 18.741 0.094 -9.402 777 HG21 ILE 102 1HG2 ILE 102 16.681 3.114 -8.790 778 HG22 ILE 102 2HG2 ILE 102 17.953 2.061 -8.135 779 HG23 ILE 102 3HG2 ILE 102 18.259 3.036 -9.581 780 HD11 ILE 102 3HD1 ILE 102 17.338 -1.507 -10.590 781 HD12 ILE 102 1HD1 ILE 102 17.335 -0.479 -12.044 782 HD13 ILE 102 2HD1 ILE 102 18.836 -1.262 -11.497 783 H GLY 103 H GLY 103 15.854 -2.046 -9.059 784 HA2 GLY 103 2HA GLY 103 16.399 -2.183 -6.180 785 HA3 GLY 103 3HA GLY 103 16.199 -3.535 -7.298 786 H SER 104 H SER 104 17.966 -4.510 -6.119 787 HA SER 104 HA SER 104 20.661 -3.700 -7.089 788 HB2 SER 104 2HB SER 104 20.233 -2.780 -4.776 789 HB3 SER 104 3HB SER 104 20.124 -4.455 -4.199 790 HG SER 104 HG SER 104 22.253 -3.540 -4.013 791 H LYS 105 H LYS 105 22.293 -5.385 -6.724 792 HA LYS 105 HA LYS 105 21.417 -7.846 -7.962 793 HB2 LYS 105 2HB LYS 105 23.496 -6.719 -8.544 794 HB3 LYS 105 3HB LYS 105 24.127 -6.940 -6.908 795 HG2 LYS 105 2HG LYS 105 24.258 -9.347 -7.205 796 HG3 LYS 105 3HG LYS 105 23.395 -9.250 -8.759 797 HD2 LYS 105 2HD LYS 105 25.243 -8.009 -9.771 798 HD3 LYS 105 3HD LYS 105 26.060 -7.868 -8.213 799 HE2 LYS 105 2HE LYS 105 27.140 -9.546 -9.608 800 HE3 LYS 105 3HE LYS 105 26.488 -10.263 -8.133 801 HZ1 LYS 105 3HZ LYS 105 26.038 -11.566 -10.181 802 HZ2 LYS 105 1HZ LYS 105 24.698 -11.201 -9.351 803 HZ3 LYS 105 2HZ LYS 105 25.063 -10.374 -10.738 804 H ALA 106 H ALA 106 21.018 -9.786 -7.174 805 HA ALA 106 HA ALA 106 22.012 -10.771 -4.634 806 HB1 ALA 106 1HB ALA 106 19.754 -11.320 -3.752 807 HB2 ALA 106 2HB ALA 106 19.991 -9.566 -3.870 808 HB3 ALA 106 3HB ALA 106 19.008 -10.411 -5.086 809 H GLU 107 H GLU 107 22.422 -12.872 -4.887 810 HA GLU 107 HA GLU 107 21.955 -14.049 -7.508 811 HB2 GLU 107 2HB GLU 107 23.471 -15.183 -5.134 812 HB3 GLU 107 3HB GLU 107 23.579 -15.724 -6.809 813 HG2 GLU 107 2HG GLU 107 24.497 -13.031 -5.711 814 HG3 GLU 107 3HG GLU 107 25.513 -14.371 -6.205 815 H LYS 108 H LYS 108 20.342 -14.450 -4.508 816 HA LYS 108 HA LYS 108 18.647 -16.604 -5.588 817 HB2 LYS 108 2HB LYS 108 20.522 -17.757 -4.386 818 HB3 LYS 108 3HB LYS 108 20.062 -16.910 -2.901 819 HG2 LYS 108 2HG LYS 108 17.843 -18.006 -2.952 820 HG3 LYS 108 3HG LYS 108 18.248 -18.783 -4.495 821 HD2 LYS 108 2HD LYS 108 20.113 -19.998 -3.393 822 HD3 LYS 108 3HD LYS 108 19.701 -19.222 -1.847 823 HE2 LYS 108 2HE LYS 108 17.440 -20.246 -1.938 824 HE3 LYS 108 3HE LYS 108 17.838 -21.005 -3.485 825 HZ1 LYS 108 3HZ LYS 108 19.223 -21.558 -0.913 826 HZ2 LYS 108 1HZ LYS 108 18.148 -22.549 -1.637 827 HZ3 LYS 108 2HZ LYS 108 19.590 -22.259 -2.343 Start of MODEL 18 1 H1 MET 1 H1 MET 1 1.194 1.961 27.763 2 H2 MET 1 H2 MET 1 1.429 3.560 28.003 3 H3 MET 1 H3 MET 1 2.643 2.638 27.411 4 HA MET 1 HA MET 1 0.089 3.222 26.069 5 HB2 MET 1 2HB MET 1 1.598 5.177 26.142 6 HB3 MET 1 3HB MET 1 2.853 4.252 25.310 7 HG2 MET 1 2HG MET 1 1.341 3.969 23.362 8 HG3 MET 1 3HG MET 1 0.069 4.847 24.220 9 HE1 MET 1 1HE MET 1 1.064 7.292 21.328 10 HE2 MET 1 2HE MET 1 1.037 5.516 21.263 11 HE3 MET 1 3HE MET 1 -0.255 6.395 22.113 12 H ALA 2 H ALA 2 3.371 2.112 25.029 13 HA ALA 2 HA ALA 2 4.051 0.549 23.590 14 HB1 ALA 2 1HB ALA 2 1.711 -1.123 24.561 15 HB2 ALA 2 2HB ALA 2 3.230 -1.699 23.848 16 HB3 ALA 2 3HB ALA 2 3.248 -0.911 25.430 17 H GLU 3 H GLU 3 3.055 -1.218 21.832 18 HA GLU 3 HA GLU 3 1.256 0.282 19.982 19 HB2 GLU 3 2HB GLU 3 3.971 -0.903 19.278 20 HB3 GLU 3 3HB GLU 3 2.778 -0.322 18.112 21 HG2 GLU 3 2HG GLU 3 2.903 1.954 19.118 22 HG3 GLU 3 3HG GLU 3 4.154 1.386 20.230 23 H SER 4 H SER 4 0.166 -0.980 18.438 24 HA SER 4 HA SER 4 0.369 -3.903 18.434 25 HB2 SER 4 2HB SER 4 -1.098 -3.326 20.416 26 HB3 SER 4 3HB SER 4 -2.245 -2.591 19.281 27 HG SER 4 HG SER 4 -2.720 -4.808 19.791 28 H SER 5 H SER 5 -1.172 -4.852 16.842 29 HA SER 5 HA SER 5 -2.121 -3.008 14.710 30 HB2 SER 5 2HB SER 5 -0.195 -5.320 14.282 31 HB3 SER 5 3HB SER 5 -1.202 -4.643 12.994 32 HG SER 5 HG SER 5 0.795 -3.319 14.519 33 H ASP 6 H ASP 6 -4.048 -3.462 14.022 34 HA ASP 6 HA ASP 6 -5.065 -6.250 14.024 35 HB2 ASP 6 2HB ASP 6 -5.958 -4.912 15.956 36 HB3 ASP 6 3HB ASP 6 -6.681 -3.794 14.800 37 H LYS 7 H LYS 7 -3.754 -4.914 11.908 38 HA LYS 7 HA LYS 7 -5.717 -4.873 9.766 39 HB2 LYS 7 2HB LYS 7 -4.237 -2.785 8.926 40 HB3 LYS 7 3HB LYS 7 -5.797 -2.660 9.715 41 HG2 LYS 7 2HG LYS 7 -4.351 -1.018 10.620 42 HG3 LYS 7 3HG LYS 7 -4.722 -2.194 11.871 43 HD2 LYS 7 2HD LYS 7 -2.487 -3.236 11.578 44 HD3 LYS 7 3HD LYS 7 -2.139 -2.150 10.232 45 HE2 LYS 7 2HE LYS 7 -2.574 -0.202 11.872 46 HE3 LYS 7 3HE LYS 7 -2.590 -1.402 13.164 47 HZ1 LYS 7 3HZ LYS 7 -0.309 -0.758 11.364 48 HZ2 LYS 7 1HZ LYS 7 -0.407 -0.447 12.956 49 HZ3 LYS 7 2HZ LYS 7 -0.282 -1.998 12.481 50 H LEU 8 H LEU 8 -4.857 -5.415 7.842 51 HA LEU 8 HA LEU 8 -2.251 -6.843 7.929 52 HB2 LEU 8 2HB LEU 8 -3.164 -8.438 6.473 53 HB3 LEU 8 3HB LEU 8 -4.207 -8.301 7.875 54 HG LEU 8 HG LEU 8 -4.815 -6.940 5.221 55 HD11 LEU 8 1HD1 LEU 8 -5.771 -9.643 6.255 56 HD12 LEU 8 2HD1 LEU 8 -6.301 -8.847 4.752 57 HD13 LEU 8 3HD1 LEU 8 -4.628 -9.385 4.915 58 HD21 LEU 8 3HD2 LEU 8 -6.199 -5.959 6.907 59 HD22 LEU 8 1HD2 LEU 8 -7.196 -7.109 6.046 60 HD23 LEU 8 2HD2 LEU 8 -6.544 -7.551 7.640 61 H TYR 9 H TYR 9 -3.560 -4.032 6.640 62 HA TYR 9 HA TYR 9 -1.701 -4.151 4.321 63 HB2 TYR 9 2HB TYR 9 -4.408 -2.807 4.262 64 HB3 TYR 9 3HB TYR 9 -3.265 -2.948 2.942 65 HD1 TYR 9 HD2 TYR 9 -2.551 -5.752 2.857 66 HD2 TYR 9 HD1 TYR 9 -6.356 -3.942 3.667 67 HE1 TYR 9 HE2 TYR 9 -3.694 -7.823 2.054 68 HE2 TYR 9 HE1 TYR 9 -7.514 -6.003 2.877 69 HH TYR 9 HH TYR 9 -7.250 -8.016 1.808 70 H ARG 10 H ARG 10 -0.861 -2.148 3.707 71 HA ARG 10 HA ARG 10 -1.134 0.170 5.526 72 HB2 ARG 10 2HB ARG 10 0.745 -0.914 6.459 73 HB3 ARG 10 3HB ARG 10 1.298 -1.481 4.904 74 HG2 ARG 10 2HG ARG 10 2.873 0.120 5.713 75 HG3 ARG 10 3HG ARG 10 2.087 0.763 4.287 76 HD2 ARG 10 2HD ARG 10 2.243 2.571 5.815 77 HD3 ARG 10 3HD ARG 10 0.559 2.085 5.834 78 HE ARG 10 HE ARG 10 0.898 0.993 7.989 79 HH11 ARG 10 1HH2 ARG 10 3.632 3.149 7.153 80 HH12 ARG 10 2HH2 ARG 10 4.089 3.207 8.827 81 HH21 ARG 10 1HH1 ARG 10 1.482 1.311 9.995 82 HH22 ARG 10 2HH1 ARG 10 2.942 2.200 10.394 83 H VAL 11 H VAL 11 -0.880 2.152 4.459 84 HA VAL 11 HA VAL 11 0.278 2.269 1.750 85 HB VAL 11 HB VAL 11 -2.252 1.994 1.600 86 HG11 VAL 11 1HG1 VAL 11 -2.315 4.931 2.410 87 HG12 VAL 11 2HG1 VAL 11 -3.683 3.904 1.958 88 HG13 VAL 11 3HG1 VAL 11 -2.800 3.629 3.476 89 HG21 VAL 11 3HG2 VAL 11 -0.781 2.976 -0.241 90 HG22 VAL 11 1HG2 VAL 11 -2.444 3.583 -0.247 91 HG23 VAL 11 2HG2 VAL 11 -1.123 4.576 0.406 92 H GLU 12 H GLU 12 1.357 4.234 1.326 93 HA GLU 12 HA GLU 12 1.056 6.580 2.961 94 HB2 GLU 12 2HB GLU 12 3.307 6.511 4.024 95 HB3 GLU 12 3HB GLU 12 2.214 5.309 4.686 96 HG2 GLU 12 2HG GLU 12 3.294 3.537 3.348 97 HG3 GLU 12 3HG GLU 12 4.349 4.734 2.585 98 H TYR 13 H TYR 13 2.415 8.276 2.355 99 HA TYR 13 HA TYR 13 3.698 8.136 -0.272 100 HB2 TYR 13 2HB TYR 13 3.798 10.325 1.823 101 HB3 TYR 13 3HB TYR 13 4.204 10.463 0.118 102 HD1 TYR 13 HD1 TYR 13 2.072 9.365 -1.401 103 HD2 TYR 13 HD2 TYR 13 1.784 11.331 2.417 104 HE1 TYR 13 HE1 TYR 13 -0.184 10.232 -2.020 105 HE2 TYR 13 HE2 TYR 13 -0.481 12.176 1.817 106 HH TYR 13 HH TYR 13 -1.929 11.569 -1.412 107 H ALA 14 H ALA 14 5.804 7.761 -0.651 108 HA ALA 14 HA ALA 14 7.509 6.787 1.482 109 HB1 ALA 14 1HB ALA 14 7.946 7.200 -1.504 110 HB2 ALA 14 2HB ALA 14 9.053 6.333 -0.415 111 HB3 ALA 14 3HB ALA 14 7.414 5.712 -0.708 112 H LYS 15 H LYS 15 8.263 8.303 2.881 113 HA LYS 15 HA LYS 15 9.276 10.910 2.055 114 HB2 LYS 15 2HB LYS 15 8.120 10.442 4.215 115 HB3 LYS 15 3HB LYS 15 9.460 9.414 4.707 116 HG2 LYS 15 2HG LYS 15 9.593 11.553 5.804 117 HG3 LYS 15 3HG LYS 15 10.977 11.369 4.732 118 HD2 LYS 15 2HD LYS 15 9.897 12.829 3.050 119 HD3 LYS 15 3HD LYS 15 8.458 12.977 4.063 120 HE2 LYS 15 2HE LYS 15 11.268 13.868 4.870 121 HE3 LYS 15 3HE LYS 15 10.065 14.928 4.133 122 HZ1 LYS 15 3HZ LYS 15 8.609 14.514 6.044 123 HZ2 LYS 15 1HZ LYS 15 9.736 13.561 6.751 124 HZ3 LYS 15 2HZ LYS 15 10.028 15.149 6.532 125 H SER 16 H SER 16 10.709 7.790 2.480 126 HA SER 16 HA SER 16 13.281 8.734 1.440 127 HB2 SER 16 2HB SER 16 13.482 8.797 3.960 128 HB3 SER 16 3HB SER 16 13.248 7.034 3.957 129 HG SER 16 HG SER 16 15.490 7.793 3.864 130 H GLY 17 H GLY 17 14.424 7.112 0.365 131 HA2 GLY 17 2HA GLY 17 12.735 5.018 -0.767 132 HA3 GLY 17 3HA GLY 17 14.355 5.477 -1.299 133 H ARG 18 H ARG 18 12.811 4.070 1.597 134 HA ARG 18 HA ARG 18 15.059 2.108 1.898 135 HB2 ARG 18 2HB ARG 18 13.632 3.729 4.049 136 HB3 ARG 18 3HB ARG 18 14.876 2.518 4.364 137 HG2 ARG 18 2HG ARG 18 15.343 5.031 2.707 138 HG3 ARG 18 3HG ARG 18 15.686 4.900 4.425 139 HD2 ARG 18 2HD ARG 18 17.494 3.462 4.125 140 HD3 ARG 18 3HD ARG 18 16.888 2.825 2.605 141 HE ARG 18 HE ARG 18 17.953 4.456 1.420 142 HH11 ARG 18 1HH2 ARG 18 17.979 5.609 4.740 143 HH12 ARG 18 2HH2 ARG 18 19.096 6.890 4.350 144 HH21 ARG 18 1HH1 ARG 18 19.354 5.971 1.030 145 HH22 ARG 18 2HH1 ARG 18 19.859 7.112 2.261 146 H ALA 19 H ALA 19 12.588 1.585 0.601 147 HA ALA 19 HA ALA 19 11.748 -0.804 2.165 148 HB1 ALA 19 1HB ALA 19 9.441 -0.470 1.303 149 HB2 ALA 19 2HB ALA 19 9.937 0.823 2.409 150 HB3 ALA 19 3HB ALA 19 9.914 1.108 0.651 151 H SER 20 H SER 20 11.186 -2.644 0.829 152 HA SER 20 HA SER 20 12.261 -2.497 -1.952 153 HB2 SER 20 2HB SER 20 12.797 -4.942 -1.563 154 HB3 SER 20 3HB SER 20 13.826 -3.733 -0.800 155 HG SER 20 HG SER 20 13.379 -4.656 1.014 156 H CYS 21 HN CYS 21 11.034 -3.153 -3.579 157 HA CYS 21 HA CYS 21 8.255 -3.829 -3.052 158 HB2 CYS 21 2HB CYS 21 9.001 -2.301 -4.863 159 HB3 CYS 21 3HB CYS 21 9.777 -3.676 -5.669 160 H LYS 22 H LYS 22 7.777 -5.819 -2.402 161 HA LYS 22 HA LYS 22 9.431 -8.130 -2.985 162 HB2 LYS 22 2HB LYS 22 6.623 -8.223 -1.882 163 HB3 LYS 22 3HB LYS 22 7.900 -9.404 -1.652 164 HG2 LYS 22 2HG LYS 22 7.826 -6.595 -0.512 165 HG3 LYS 22 3HG LYS 22 7.440 -8.069 0.352 166 HD2 LYS 22 2HD LYS 22 9.781 -8.878 0.021 167 HD3 LYS 22 3HD LYS 22 10.167 -7.338 -0.801 168 HE2 LYS 22 2HE LYS 22 9.305 -6.193 1.329 169 HE3 LYS 22 3HE LYS 22 9.329 -7.804 2.079 170 HZ1 LYS 22 3HZ LYS 22 11.781 -7.848 1.376 171 HZ2 LYS 22 1HZ LYS 22 11.630 -6.266 1.005 172 HZ3 LYS 22 2HZ LYS 22 11.416 -6.754 2.543 173 H LYS 23 H LYS 23 7.218 -6.655 -4.992 174 HA LYS 23 HA LYS 23 6.318 -9.178 -6.307 175 HB2 LYS 23 2HB LYS 23 4.568 -7.654 -5.590 176 HB3 LYS 23 3HB LYS 23 5.300 -6.332 -6.492 177 HG2 LYS 23 2HG LYS 23 3.325 -7.256 -7.618 178 HG3 LYS 23 3HG LYS 23 4.770 -7.397 -8.617 179 HD2 LYS 23 2HD LYS 23 4.954 -9.798 -8.087 180 HD3 LYS 23 3HD LYS 23 3.596 -9.677 -6.954 181 HE2 LYS 23 2HE LYS 23 2.116 -8.982 -8.810 182 HE3 LYS 23 3HE LYS 23 3.471 -9.082 -9.943 183 HZ1 LYS 23 3HZ LYS 23 3.601 -11.469 -9.476 184 HZ2 LYS 23 1HZ LYS 23 2.363 -11.380 -8.410 185 HZ3 LYS 23 2HZ LYS 23 2.098 -11.094 -9.990 186 H CYS 24 HN CYS 24 7.750 -6.004 -7.279 187 HA CYS 24 HA CYS 24 8.616 -7.332 -9.796 188 HB2 CYS 24 2HB CYS 24 8.587 -5.335 -10.915 189 HB3 CYS 24 3HB CYS 24 7.082 -5.399 -10.004 190 H SER 25 H SER 25 9.959 -6.770 -6.888 191 HA SER 25 HA SER 25 12.019 -6.942 -6.063 192 HB2 SER 25 2HB SER 25 12.794 -8.086 -8.757 193 HB3 SER 25 3HB SER 25 13.660 -8.305 -7.230 194 HG SER 25 HG SER 25 11.887 -9.428 -6.402 195 H GLU 26 H GLU 26 11.421 -4.386 -7.295 196 HA GLU 26 HA GLU 26 14.206 -3.296 -7.479 197 HB2 GLU 26 2HB GLU 26 11.554 -1.902 -8.023 198 HB3 GLU 26 3HB GLU 26 13.162 -1.175 -8.116 199 HG2 GLU 26 2HG GLU 26 13.756 -2.904 -9.875 200 HG3 GLU 26 3HG GLU 26 12.053 -3.367 -9.912 201 H SER 27 H SER 27 14.378 -1.170 -6.143 202 HA SER 27 HA SER 27 12.930 -1.457 -3.546 203 HB2 SER 27 2HB SER 27 15.604 -0.131 -3.921 204 HB3 SER 27 3HB SER 27 14.629 -0.225 -2.431 205 HG SER 27 HG SER 27 15.588 -2.481 -3.883 206 H ILE 28 H ILE 28 11.906 0.279 -2.674 207 HA ILE 28 HA ILE 28 10.583 1.663 -4.827 208 HB ILE 28 HB ILE 28 10.002 1.544 -1.854 209 HG12 ILE 28 2HG1 ILE 28 8.723 -0.010 -4.155 210 HG13 ILE 28 3HG1 ILE 28 9.969 -0.668 -3.101 211 HG21 ILE 28 1HG2 ILE 28 7.728 2.280 -2.435 212 HG22 ILE 28 2HG2 ILE 28 8.885 3.514 -2.902 213 HG23 ILE 28 3HG2 ILE 28 8.178 2.451 -4.137 214 HD11 ILE 28 3HD1 ILE 28 7.168 0.109 -2.261 215 HD12 ILE 28 1HD1 ILE 28 7.910 -1.499 -2.299 216 HD13 ILE 28 2HD1 ILE 28 8.481 -0.297 -1.128 217 HA PRO 29 HA PRO 29 12.866 5.499 -4.105 218 HB2 PRO 29 2HB PRO 29 11.704 7.118 -5.962 219 HB3 PRO 29 3HB PRO 29 12.769 5.753 -6.413 220 HG2 PRO 29 2HG PRO 29 9.732 5.775 -6.279 221 HG3 PRO 29 3HG PRO 29 10.765 5.230 -7.636 222 HD2 PRO 29 2HD PRO 29 9.745 3.494 -5.812 223 HD3 PRO 29 3HD PRO 29 11.389 3.260 -6.489 224 H LYS 30 H LYS 30 12.532 7.635 -3.269 225 HA LYS 30 HA LYS 30 10.073 8.040 -1.711 226 HB2 LYS 30 2HB LYS 30 11.122 9.970 -0.772 227 HB3 LYS 30 3HB LYS 30 12.181 8.577 -0.677 228 HG2 LYS 30 2HG LYS 30 13.573 9.393 -2.473 229 HG3 LYS 30 3HG LYS 30 12.466 10.736 -2.810 230 HD2 LYS 30 2HD LYS 30 13.864 10.342 -0.133 231 HD3 LYS 30 3HD LYS 30 14.555 11.304 -1.442 232 HE2 LYS 30 2HE LYS 30 12.879 12.949 -1.345 233 HE3 LYS 30 3HE LYS 30 11.742 11.904 -0.490 234 HZ1 LYS 30 3HZ LYS 30 14.250 12.893 0.743 235 HZ2 LYS 30 1HZ LYS 30 12.785 13.585 0.961 236 HZ3 LYS 30 2HZ LYS 30 13.035 12.057 1.483 237 H ASP 31 H ASP 31 9.057 10.203 -1.709 238 HA ASP 31 HA ASP 31 7.517 11.510 -2.665 239 HB2 ASP 31 2HB ASP 31 9.576 12.744 -3.338 240 HB3 ASP 31 3HB ASP 31 9.486 11.976 -4.921 241 H SER 32 H SER 32 7.235 8.811 -3.056 242 HA SER 32 HA SER 32 5.380 8.656 -5.370 243 HB2 SER 32 2HB SER 32 7.451 6.556 -4.590 244 HB3 SER 32 3HB SER 32 6.101 6.273 -5.701 245 HG SER 32 HG SER 32 8.131 8.240 -6.044 246 H LEU 33 H LEU 33 3.916 6.636 -5.022 247 HA LEU 33 HA LEU 33 3.099 6.540 -2.161 248 HB2 LEU 33 2HB LEU 33 1.462 7.484 -3.837 249 HB3 LEU 33 3HB LEU 33 1.472 5.916 -4.647 250 HG LEU 33 HG LEU 33 0.715 4.901 -2.418 251 HD11 LEU 33 1HD1 LEU 33 1.279 6.905 -0.978 252 HD12 LEU 33 2HD1 LEU 33 -0.005 7.799 -1.797 253 HD13 LEU 33 3HD1 LEU 33 -0.400 6.380 -0.817 254 HD21 LEU 33 3HD2 LEU 33 -1.165 6.943 -3.659 255 HD22 LEU 33 1HD2 LEU 33 -0.820 5.330 -4.337 256 HD23 LEU 33 2HD2 LEU 33 -1.622 5.476 -2.763 257 H ARG 34 H ARG 34 3.029 4.640 -1.098 258 HA ARG 34 HA ARG 34 3.554 2.096 -2.534 259 HB2 ARG 34 2HB ARG 34 5.330 1.463 -1.044 260 HB3 ARG 34 3HB ARG 34 5.725 2.968 -1.876 261 HG2 ARG 34 2HG ARG 34 5.214 4.263 0.167 262 HG3 ARG 34 3HG ARG 34 4.782 2.763 1.019 263 HD2 ARG 34 2HD ARG 34 7.074 1.902 0.697 264 HD3 ARG 34 3HD ARG 34 7.496 3.350 -0.230 265 HE ARG 34 HE ARG 34 6.562 3.714 2.584 266 HH11 ARG 34 1HH2 ARG 34 9.381 3.750 0.471 267 HH12 ARG 34 2HH2 ARG 34 10.292 4.707 1.612 268 HH21 ARG 34 1HH1 ARG 34 7.727 4.735 3.940 269 HH22 ARG 34 2HH1 ARG 34 9.436 5.086 3.658 270 H MET 35 H MET 35 3.150 0.238 -1.338 271 HA MET 35 HA MET 35 1.289 0.490 0.941 272 HB2 MET 35 2HB MET 35 0.897 -1.173 -1.582 273 HB3 MET 35 3HB MET 35 0.022 -1.489 -0.074 274 HG2 MET 35 2HG MET 35 -0.846 0.820 -0.095 275 HG3 MET 35 3HG MET 35 -0.041 1.108 -1.641 276 HE1 MET 35 3HE MET 35 -3.133 -0.186 0.243 277 HE2 MET 35 1HE MET 35 -3.900 -1.327 -0.882 278 HE3 MET 35 2HE MET 35 -2.363 -1.761 -0.086 279 H ALA 36 H ALA 36 1.066 -1.534 2.167 280 HA ALA 36 HA ALA 36 3.297 -3.403 1.881 281 HB1 ALA 36 1HB ALA 36 4.595 -2.725 3.562 282 HB2 ALA 36 2HB ALA 36 3.629 -1.238 3.626 283 HB3 ALA 36 3HB ALA 36 3.236 -2.609 4.685 284 H ILE 37 H ILE 37 3.135 -5.280 3.423 285 HA ILE 37 HA ILE 37 0.346 -5.737 4.380 286 HB ILE 37 HB ILE 37 1.951 -7.209 2.370 287 HG12 ILE 37 2HG1 ILE 37 -1.001 -7.215 3.076 288 HG13 ILE 37 3HG1 ILE 37 -0.234 -5.978 2.067 289 HG21 ILE 37 1HG2 ILE 37 0.379 -8.817 4.405 290 HG22 ILE 37 2HG2 ILE 37 1.078 -9.403 2.857 291 HG23 ILE 37 3HG2 ILE 37 2.148 -8.866 4.139 292 HD11 ILE 37 3HD1 ILE 37 -0.532 -8.921 1.403 293 HD12 ILE 37 1HD1 ILE 37 -1.383 -7.550 0.669 294 HD13 ILE 37 2HD1 ILE 37 0.360 -7.739 0.416 295 H MET 38 H MET 38 0.090 -6.632 6.342 296 HA MET 38 HA MET 38 2.558 -7.085 7.924 297 HB2 MET 38 2HB MET 38 -0.336 -7.067 8.823 298 HB3 MET 38 3HB MET 38 1.059 -7.162 9.882 299 HG2 MET 38 2HG MET 38 0.706 -4.784 8.030 300 HG3 MET 38 3HG MET 38 -0.191 -4.907 9.526 301 HE1 MET 38 3HE MET 38 3.298 -4.956 7.955 302 HE2 MET 38 1HE MET 38 4.385 -4.405 9.260 303 HE3 MET 38 2HE MET 38 3.751 -6.058 9.277 304 H VAL 39 H VAL 39 3.496 -8.946 7.610 305 HA VAL 39 HA VAL 39 1.867 -11.452 7.893 306 HB VAL 39 HB VAL 39 2.542 -11.127 5.578 307 HG11 VAL 39 1HG1 VAL 39 4.845 -11.254 4.864 308 HG12 VAL 39 2HG1 VAL 39 4.625 -9.832 5.888 309 HG13 VAL 39 3HG1 VAL 39 5.425 -11.277 6.540 310 HG21 VAL 39 3HG2 VAL 39 4.103 -13.433 6.753 311 HG22 VAL 39 1HG2 VAL 39 2.339 -13.418 6.491 312 HG23 VAL 39 2HG2 VAL 39 3.446 -13.274 5.120 313 H GLN 40 H GLN 40 2.780 -13.190 8.966 314 HA GLN 40 HA GLN 40 4.715 -12.567 11.061 315 HB2 GLN 40 2HB GLN 40 4.379 -15.008 11.624 316 HB3 GLN 40 3HB GLN 40 2.969 -13.957 11.742 317 HG2 GLN 40 2HG GLN 40 2.078 -14.780 9.617 318 HG3 GLN 40 3HG GLN 40 3.517 -15.761 9.345 319 HE21 GLN 40 2HE2 GLN 40 3.909 -17.620 10.875 320 HE22 GLN 40 1HE2 GLN 40 2.514 -18.319 11.683 321 H SER 41 H SER 41 6.854 -12.911 11.082 322 HA SER 41 HA SER 41 8.088 -13.693 8.560 323 HB2 SER 41 2HB SER 41 8.737 -11.641 9.705 324 HB3 SER 41 3HB SER 41 9.314 -12.580 11.086 325 HG SER 41 HG SER 41 10.766 -11.908 9.108 326 HA PRO 42 HA PRO 42 9.822 -17.484 10.164 327 HB2 PRO 42 2HB PRO 42 11.212 -18.329 7.985 328 HB3 PRO 42 3HB PRO 42 9.421 -18.334 8.025 329 HG2 PRO 42 2HG PRO 42 11.256 -16.241 6.832 330 HG3 PRO 42 3HG PRO 42 9.821 -17.004 6.077 331 HD2 PRO 42 2HD PRO 42 9.745 -14.554 7.378 332 HD3 PRO 42 3HD PRO 42 8.343 -15.658 7.324 333 H MET 43 H MET 43 11.437 -14.580 9.242 334 HA MET 43 HA MET 43 14.126 -15.493 10.141 335 HB2 MET 43 2HB MET 43 13.219 -13.069 8.609 336 HB3 MET 43 3HB MET 43 14.856 -13.271 9.217 337 HG2 MET 43 2HG MET 43 15.377 -15.037 7.818 338 HG3 MET 43 3HG MET 43 13.698 -15.506 7.561 339 HE1 MET 43 3HE MET 43 12.046 -13.535 6.851 340 HE2 MET 43 1HE MET 43 12.241 -12.958 5.171 341 HE3 MET 43 2HE MET 43 12.213 -14.700 5.529 342 H PHE 44 H PHE 44 11.491 -13.333 11.009 343 HA PHE 44 HA PHE 44 12.991 -12.257 13.359 344 HB2 PHE 44 2HB PHE 44 12.593 -10.558 11.672 345 HB3 PHE 44 3HB PHE 44 10.888 -10.966 11.592 346 HD1 PHE 44 HD1 PHE 44 13.519 -9.668 13.935 347 HD2 PHE 44 HD2 PHE 44 9.313 -9.890 13.003 348 HE1 PHE 44 HE1 PHE 44 13.027 -8.042 15.750 349 HE2 PHE 44 HE2 PHE 44 8.826 -8.255 14.807 350 HZ PHE 44 HZ PHE 44 10.682 -7.336 16.188 351 H ASP 45 H ASP 45 11.743 -11.756 15.232 352 HA ASP 45 HA ASP 45 9.906 -13.974 15.864 353 HB2 ASP 45 2HB ASP 45 11.958 -13.591 17.186 354 HB3 ASP 45 3HB ASP 45 11.345 -12.014 17.681 355 H GLY 46 H GLY 46 8.425 -12.490 14.305 356 HA2 GLY 46 2HA GLY 46 6.131 -11.685 15.628 357 HA3 GLY 46 3HA GLY 46 7.128 -10.231 15.548 358 H LYS 47 H LYS 47 5.562 -9.263 14.276 359 HA LYS 47 HA LYS 47 4.996 -10.291 11.553 360 HB2 LYS 47 2HB LYS 47 3.734 -8.106 13.252 361 HB3 LYS 47 3HB LYS 47 3.212 -8.506 11.621 362 HG2 LYS 47 2HG LYS 47 3.325 -10.707 13.727 363 HG3 LYS 47 3HG LYS 47 2.015 -9.537 13.795 364 HD2 LYS 47 2HD LYS 47 2.691 -11.190 11.348 365 HD3 LYS 47 3HD LYS 47 1.526 -11.703 12.558 366 HE2 LYS 47 2HE LYS 47 1.300 -9.096 10.994 367 HE3 LYS 47 3HE LYS 47 0.575 -10.615 10.459 368 HZ1 LYS 47 3HZ LYS 47 -1.039 -9.307 11.687 369 HZ2 LYS 47 1HZ LYS 47 -0.715 -10.662 12.530 370 HZ3 LYS 47 2HZ LYS 47 -0.084 -9.234 13.010 371 H VAL 48 H VAL 48 5.575 -9.247 9.743 372 HA VAL 48 HA VAL 48 7.266 -6.804 9.967 373 HB VAL 48 HB VAL 48 8.761 -7.728 8.249 374 HG11 VAL 48 1HG1 VAL 48 8.560 -9.525 10.706 375 HG12 VAL 48 2HG1 VAL 48 9.999 -9.243 9.710 376 HG13 VAL 48 3HG1 VAL 48 9.317 -7.921 10.666 377 HG21 VAL 48 3HG2 VAL 48 8.801 -10.129 7.743 378 HG22 VAL 48 1HG2 VAL 48 7.274 -10.355 8.622 379 HG23 VAL 48 2HG2 VAL 48 7.320 -9.372 7.149 380 HA PRO 49 HA PRO 49 4.789 -5.483 6.511 381 HB2 PRO 49 2HB PRO 49 6.067 -3.222 5.717 382 HB3 PRO 49 3HB PRO 49 5.240 -3.343 7.295 383 HG2 PRO 49 2HG PRO 49 8.199 -3.679 6.716 384 HG3 PRO 49 3HG PRO 49 7.423 -2.730 8.021 385 HD2 PRO 49 2HD PRO 49 8.408 -5.284 8.370 386 HD3 PRO 49 3HD PRO 49 7.014 -4.645 9.291 387 H HIS 50 H HIS 50 4.663 -6.495 4.598 388 HA HIS 50 HA HIS 50 7.057 -6.736 2.818 389 HB2 HIS 50 2HB HIS 50 4.308 -8.013 2.843 390 HB3 HIS 50 3HB HIS 50 5.308 -7.997 1.392 391 HD2 HIS 50 HD2 HIS 50 7.078 -8.373 4.728 392 HE1 HIS 50 HE1 HIS 50 7.094 -12.245 2.942 393 HE2 HIS 50 HE2 HIS 50 8.052 -10.838 4.837 394 H TRP 51 H TRP 51 7.487 -4.786 1.990 395 HA TRP 51 HA TRP 51 5.406 -2.930 1.250 396 HB2 TRP 51 2HB TRP 51 8.407 -2.891 0.812 397 HB3 TRP 51 3HB TRP 51 7.302 -1.562 0.484 398 HD1 TRP 51 HD1 TRP 51 9.170 -3.232 3.300 399 HE1 TRP 51 HE1 TRP 51 8.863 -1.893 5.465 400 HE3 TRP 51 HE3 TRP 51 5.536 0.016 1.725 401 HZ2 TRP 51 HZ2 TRP 51 7.104 0.171 6.460 402 HZ3 TRP 51 HZ3 TRP 51 4.502 1.606 3.336 403 HH2 TRP 51 HH2 TRP 51 5.276 1.679 5.701 404 H TYR 52 H TYR 52 4.819 -2.229 -0.777 405 HA TYR 52 HA TYR 52 6.239 -3.167 -3.135 406 HB2 TYR 52 2HB TYR 52 3.356 -3.586 -3.539 407 HB3 TYR 52 3HB TYR 52 4.776 -4.481 -4.090 408 HD1 TYR 52 HD2 TYR 52 2.661 -4.100 -0.967 409 HD2 TYR 52 HD1 TYR 52 5.130 -6.628 -3.432 410 HE1 TYR 52 HE2 TYR 52 1.996 -6.116 0.396 411 HE2 TYR 52 HE1 TYR 52 4.433 -8.610 -2.100 412 HH TYR 52 HH TYR 52 3.251 -9.378 -0.329 413 H HIS 53 H HIS 53 5.706 -1.869 -5.027 414 HA HIS 53 HA HIS 53 5.027 0.900 -4.572 415 HB2 HIS 53 2HB HIS 53 4.677 -0.709 -7.136 416 HB3 HIS 53 3HB HIS 53 4.645 1.028 -7.009 417 HD2 HIS 53 HD2 HIS 53 6.943 2.319 -6.372 418 HE1 HIS 53 HE1 HIS 53 9.511 -0.728 -7.875 419 HE2 HIS 53 HE2 HIS 53 9.367 1.714 -7.198 420 H PHE 54 H PHE 54 3.001 2.069 -5.062 421 HA PHE 54 HA PHE 54 0.665 0.941 -4.043 422 HB2 PHE 54 2HB PHE 54 0.693 3.268 -4.255 423 HB3 PHE 54 3HB PHE 54 1.125 3.222 -5.961 424 HD1 PHE 54 HD2 PHE 54 -1.713 2.341 -3.611 425 HD2 PHE 54 HD1 PHE 54 -0.530 3.339 -7.644 426 HE1 PHE 54 HE2 PHE 54 -4.085 2.300 -4.327 427 HE2 PHE 54 HE1 PHE 54 -2.910 3.314 -8.341 428 HZ PHE 54 HZ PHE 54 -4.686 2.771 -6.693 429 H SER 55 H SER 55 1.713 0.875 -7.499 430 HA SER 55 HA SER 55 -0.784 -0.361 -8.350 431 HB2 SER 55 2HB SER 55 -0.078 -0.149 -10.514 432 HB3 SER 55 3HB SER 55 0.680 1.236 -9.733 433 HG SER 55 HG SER 55 2.632 -0.099 -9.600 434 H CYS 56 HN CYS 56 2.315 -1.541 -7.253 435 HA CYS 56 HA CYS 56 2.166 -4.139 -8.433 436 HB2 CYS 56 2HB CYS 56 3.822 -2.937 -6.193 437 HB3 CYS 56 3HB CYS 56 3.992 -4.607 -6.721 438 H PHE 57 H PHE 57 1.140 -2.816 -5.275 439 HA PHE 57 HA PHE 57 0.487 -5.126 -3.815 440 HB2 PHE 57 2HB PHE 57 0.297 -2.846 -2.987 441 HB3 PHE 57 3HB PHE 57 -1.053 -2.522 -4.069 442 HD1 PHE 57 HD1 PHE 57 -3.234 -3.774 -3.767 443 HD2 PHE 57 HD2 PHE 57 -0.044 -3.985 -0.876 444 HE1 PHE 57 HE1 PHE 57 -4.817 -4.686 -2.101 445 HE2 PHE 57 HE2 PHE 57 -1.658 -4.812 0.822 446 HZ PHE 57 HZ PHE 57 -4.038 -5.190 0.205 447 H TRP 58 H TRP 58 -1.553 -3.482 -6.267 448 HA TRP 58 HA TRP 58 -3.649 -5.452 -6.162 449 HB2 TRP 58 2HB TRP 58 -3.136 -3.396 -8.318 450 HB3 TRP 58 3HB TRP 58 -4.656 -4.172 -7.899 451 HD1 TRP 58 HD1 TRP 58 -2.494 -1.261 -7.119 452 HE1 TRP 58 HE1 TRP 58 -3.362 0.165 -5.204 453 HE3 TRP 58 HE3 TRP 58 -6.257 -4.347 -5.452 454 HZ2 TRP 58 HZ2 TRP 58 -5.460 0.017 -3.191 455 HZ3 TRP 58 HZ3 TRP 58 -7.627 -3.680 -3.516 456 HH2 TRP 58 HH2 TRP 58 -7.226 -1.502 -2.382 457 H LYS 59 H LYS 59 -0.623 -5.474 -7.803 458 HA LYS 59 HA LYS 59 -1.381 -7.548 -9.779 459 HB2 LYS 59 2HB LYS 59 1.335 -6.397 -9.043 460 HB3 LYS 59 3HB LYS 59 1.026 -7.603 -10.299 461 HG2 LYS 59 2HG LYS 59 -0.422 -6.075 -11.511 462 HG3 LYS 59 3HG LYS 59 -0.250 -4.853 -10.247 463 HD2 LYS 59 2HD LYS 59 2.245 -4.789 -10.707 464 HD3 LYS 59 3HD LYS 59 1.966 -5.940 -12.033 465 HE2 LYS 59 2HE LYS 59 1.893 -3.834 -13.101 466 HE3 LYS 59 3HE LYS 59 0.203 -4.333 -12.896 467 HZ1 LYS 59 3HZ LYS 59 0.179 -2.919 -10.847 468 HZ2 LYS 59 1HZ LYS 59 1.662 -2.344 -11.219 469 HZ3 LYS 59 2HZ LYS 59 0.404 -2.058 -12.233 470 H VAL 60 H VAL 60 -0.075 -7.363 -6.483 471 HA VAL 60 HA VAL 60 0.417 -10.258 -6.288 472 HB VAL 60 HB VAL 60 -0.223 -8.337 -4.024 473 HG11 VAL 60 1HG1 VAL 60 1.229 -11.023 -4.068 474 HG12 VAL 60 2HG1 VAL 60 1.012 -9.980 -2.647 475 HG13 VAL 60 3HG1 VAL 60 -0.391 -10.737 -3.410 476 HG21 VAL 60 3HG2 VAL 60 2.531 -9.181 -5.013 477 HG22 VAL 60 1HG2 VAL 60 1.822 -7.575 -5.273 478 HG23 VAL 60 2HG2 VAL 60 2.153 -8.123 -3.641 479 H GLY 61 H GLY 61 -2.343 -8.078 -5.892 480 HA2 GLY 61 2HA GLY 61 -4.500 -8.603 -6.579 481 HA3 GLY 61 3HA GLY 61 -4.113 -10.321 -6.571 482 H HIS 62 H HIS 62 -3.516 -8.396 -3.681 483 HA HIS 62 HA HIS 62 -5.463 -9.894 -2.098 484 HB2 HIS 62 2HB HIS 62 -3.653 -7.539 -1.478 485 HB3 HIS 62 3HB HIS 62 -4.784 -8.225 -0.317 486 HD2 HIS 62 HD2 HIS 62 -1.408 -8.893 -1.931 487 HE1 HIS 62 HE1 HIS 62 -2.113 -12.167 0.710 488 HE2 HIS 62 HE2 HIS 62 -0.390 -11.038 -0.782 489 H SER 63 H SER 63 -7.382 -9.235 -1.252 490 HA SER 63 HA SER 63 -8.714 -6.913 -2.584 491 HB2 SER 63 2HB SER 63 -9.903 -9.418 -1.337 492 HB3 SER 63 3HB SER 63 -10.821 -8.087 -2.066 493 HG SER 63 HG SER 63 -10.469 -9.833 -3.535 494 H ILE 64 H ILE 64 -9.846 -5.430 -1.519 495 HA ILE 64 HA ILE 64 -9.617 -5.325 1.457 496 HB ILE 64 HB ILE 64 -9.234 -2.944 -0.357 497 HG12 ILE 64 2HG1 ILE 64 -7.057 -4.815 0.583 498 HG13 ILE 64 3HG1 ILE 64 -7.422 -4.272 -1.048 499 HG21 ILE 64 1HG2 ILE 64 -8.463 -3.474 2.548 500 HG22 ILE 64 2HG2 ILE 64 -8.277 -1.941 1.684 501 HG23 ILE 64 3HG2 ILE 64 -9.897 -2.565 2.030 502 HD11 ILE 64 3HD1 ILE 64 -6.832 -1.891 -0.220 503 HD12 ILE 64 1HD1 ILE 64 -6.099 -2.720 1.174 504 HD13 ILE 64 2HD1 ILE 64 -5.515 -3.043 -0.457 505 H ARG 65 H ARG 65 -11.435 -4.751 2.460 506 HA ARG 65 HA ARG 65 -13.851 -4.076 0.796 507 HB2 ARG 65 2HB ARG 65 -15.081 -5.673 2.389 508 HB3 ARG 65 3HB ARG 65 -14.163 -6.345 1.060 509 HG2 ARG 65 2HG ARG 65 -12.840 -6.110 3.766 510 HG3 ARG 65 3HG ARG 65 -14.014 -7.381 3.506 511 HD2 ARG 65 2HD ARG 65 -12.689 -8.565 2.082 512 HD3 ARG 65 3HD ARG 65 -11.939 -7.138 1.366 513 HE ARG 65 HE ARG 65 -10.816 -6.997 3.796 514 HH11 ARG 65 1HH2 ARG 65 -11.053 -9.861 1.756 515 HH12 ARG 65 2HH2 ARG 65 -9.579 -10.513 2.420 516 HH21 ARG 65 1HH1 ARG 65 -9.126 -7.828 4.557 517 HH22 ARG 65 2HH1 ARG 65 -8.470 -9.382 4.015 518 H HIS 66 H HIS 66 -12.139 -3.458 3.726 519 HA HIS 66 HA HIS 66 -13.850 -1.083 4.037 520 HB2 HIS 66 2HB HIS 66 -13.864 -1.188 6.476 521 HB3 HIS 66 3HB HIS 66 -14.909 -2.331 5.661 522 HD2 HIS 66 HD2 HIS 66 -12.901 -4.818 5.343 523 HE1 HIS 66 HE1 HIS 66 -12.893 -4.784 9.572 524 HE2 HIS 66 HE2 HIS 66 -12.407 -6.182 7.517 525 HA PRO 67 HA PRO 67 -9.355 -0.738 3.517 526 HB2 PRO 67 2HB PRO 67 -9.294 1.559 1.903 527 HB3 PRO 67 3HB PRO 67 -9.518 -0.100 1.290 528 HG2 PRO 67 2HG PRO 67 -11.660 1.917 1.988 529 HG3 PRO 67 3HG PRO 67 -11.512 0.925 0.496 530 HD2 PRO 67 2HD PRO 67 -13.149 0.166 2.466 531 HD3 PRO 67 3HD PRO 67 -12.105 -1.062 1.685 532 H ASP 68 H ASP 68 -11.474 1.891 4.632 533 HA ASP 68 HA ASP 68 -9.328 3.510 5.670 534 HB2 ASP 68 2HB ASP 68 -11.539 4.433 5.158 535 HB3 ASP 68 3HB ASP 68 -12.312 3.314 6.279 536 H VAL 69 H VAL 69 -10.724 0.568 6.717 537 HA VAL 69 HA VAL 69 -9.753 0.815 9.508 538 HB VAL 69 HB VAL 69 -11.358 -1.437 8.263 539 HG11 VAL 69 1HG1 VAL 69 -10.933 -0.597 11.162 540 HG12 VAL 69 2HG1 VAL 69 -11.983 -1.921 10.606 541 HG13 VAL 69 3HG1 VAL 69 -10.239 -2.031 10.370 542 HG21 VAL 69 3HG2 VAL 69 -12.400 1.023 9.726 543 HG22 VAL 69 1HG2 VAL 69 -12.736 0.551 8.041 544 HG23 VAL 69 2HG2 VAL 69 -13.358 -0.434 9.362 545 H GLU 70 H GLU 70 -9.411 -1.114 6.544 546 HA GLU 70 HA GLU 70 -7.455 -2.948 7.800 547 HB2 GLU 70 2HB GLU 70 -8.478 -2.773 4.922 548 HB3 GLU 70 3HB GLU 70 -7.514 -4.088 5.602 549 HG2 GLU 70 2HG GLU 70 -9.341 -4.686 7.126 550 HG3 GLU 70 3HG GLU 70 -10.337 -3.389 6.465 551 H VAL 71 H VAL 71 -7.284 -0.240 5.565 552 HA VAL 71 HA VAL 71 -4.369 -0.679 5.059 553 HB VAL 71 HB VAL 71 -6.094 1.497 3.905 554 HG11 VAL 71 1HG1 VAL 71 -3.435 0.197 3.167 555 HG12 VAL 71 2HG1 VAL 71 -4.235 1.582 2.379 556 HG13 VAL 71 3HG1 VAL 71 -3.606 1.729 4.047 557 HG21 VAL 71 3HG2 VAL 71 -6.053 0.052 1.852 558 HG22 VAL 71 1HG2 VAL 71 -5.363 -1.270 2.830 559 HG23 VAL 71 2HG2 VAL 71 -7.002 -0.682 3.154 560 H ASP 72 H ASP 72 -3.409 -0.339 6.880 561 HA ASP 72 HA ASP 72 -3.688 1.914 8.643 562 HB2 ASP 72 2HB ASP 72 -2.709 -0.284 9.126 563 HB3 ASP 72 3HB ASP 72 -1.401 0.019 7.985 564 H GLY 73 H GLY 73 -2.540 3.871 8.649 565 HA2 GLY 73 2HA GLY 73 -1.175 5.611 7.902 566 HA3 GLY 73 3HA GLY 73 -0.562 4.578 6.615 567 H PHE 74 H PHE 74 -3.638 4.162 5.946 568 HA PHE 74 HA PHE 74 -4.100 6.028 3.868 569 HB2 PHE 74 2HB PHE 74 -5.290 3.882 4.256 570 HB3 PHE 74 3HB PHE 74 -6.000 4.533 5.730 571 HD1 PHE 74 HD2 PHE 74 -6.117 4.590 2.034 572 HD2 PHE 74 HD1 PHE 74 -7.899 6.034 5.689 573 HE1 PHE 74 HE2 PHE 74 -8.118 5.372 0.769 574 HE2 PHE 74 HE1 PHE 74 -9.881 6.823 4.408 575 HZ PHE 74 HZ PHE 74 -9.946 6.547 1.951 576 H SER 75 H SER 75 -4.743 6.340 7.345 577 HA SER 75 HA SER 75 -6.305 8.701 7.367 578 HB2 SER 75 2HB SER 75 -4.215 7.792 9.379 579 HB3 SER 75 3HB SER 75 -5.560 8.911 9.684 580 HG SER 75 HG SER 75 -6.054 6.776 10.365 581 H GLU 76 H GLU 76 -2.916 8.361 6.575 582 HA GLU 76 HA GLU 76 -2.351 11.252 7.014 583 HB2 GLU 76 2HB GLU 76 -0.458 9.013 6.214 584 HB3 GLU 76 3HB GLU 76 -0.039 10.667 6.659 585 HG2 GLU 76 2HG GLU 76 -1.090 10.227 8.939 586 HG3 GLU 76 3HG GLU 76 -1.220 8.525 8.481 587 H LEU 77 H LEU 77 -3.355 9.178 4.467 588 HA LEU 77 HA LEU 77 -2.137 10.586 2.233 589 HB2 LEU 77 2HB LEU 77 -4.387 8.602 2.552 590 HB3 LEU 77 3HB LEU 77 -4.280 9.542 1.082 591 HG LEU 77 HG LEU 77 -2.132 8.674 0.519 592 HD11 LEU 77 1HD1 LEU 77 -1.017 8.423 2.651 593 HD12 LEU 77 2HD1 LEU 77 -2.161 7.159 3.144 594 HD13 LEU 77 3HD1 LEU 77 -1.028 6.878 1.799 595 HD21 LEU 77 3HD2 LEU 77 -2.750 6.337 0.160 596 HD22 LEU 77 1HD2 LEU 77 -3.987 6.446 1.436 597 HD23 LEU 77 2HD2 LEU 77 -4.161 7.380 -0.058 598 H ARG 78 H ARG 78 -3.013 12.148 0.910 599 HA ARG 78 HA ARG 78 -5.043 13.942 2.106 600 HB2 ARG 78 2HB ARG 78 -3.420 14.158 -0.476 601 HB3 ARG 78 3HB ARG 78 -4.547 15.380 0.108 602 HG2 ARG 78 2HG ARG 78 -1.959 14.503 1.455 603 HG3 ARG 78 3HG ARG 78 -2.323 16.064 0.711 604 HD2 ARG 78 2HD ARG 78 -4.171 16.361 2.426 605 HD3 ARG 78 3HD ARG 78 -3.608 14.910 3.237 606 HE ARG 78 HE ARG 78 -2.305 17.546 3.202 607 HH11 ARG 78 1HH2 ARG 78 -1.782 14.149 4.031 608 HH12 ARG 78 2HH2 ARG 78 -0.434 14.539 5.046 609 HH21 ARG 78 1HH1 ARG 78 -0.580 17.929 4.526 610 HH22 ARG 78 2HH1 ARG 78 0.222 16.608 5.324 611 H TRP 79 H TRP 79 -6.754 14.812 0.801 612 HA TRP 79 HA TRP 79 -8.536 12.762 0.829 613 HB2 TRP 79 2HB TRP 79 -9.822 14.533 1.122 614 HB3 TRP 79 3HB TRP 79 -8.636 15.603 0.414 615 HD1 TRP 79 HD1 TRP 79 -11.970 14.047 -0.265 616 HE1 TRP 79 HE1 TRP 79 -12.922 14.918 -2.494 617 HE3 TRP 79 HE3 TRP 79 -7.784 16.360 -2.076 618 HZ2 TRP 79 HZ2 TRP 79 -11.972 16.418 -4.777 619 HZ3 TRP 79 HZ3 TRP 79 -7.825 17.511 -4.270 620 HH2 TRP 79 HH2 TRP 79 -9.912 17.549 -5.633 621 H ASP 80 H ASP 80 -7.055 14.101 -2.128 622 HA ASP 80 HA ASP 80 -8.634 12.674 -4.011 623 HB2 ASP 80 2HB ASP 80 -7.224 14.660 -4.493 624 HB3 ASP 80 3HB ASP 80 -5.776 13.687 -4.247 625 H ASP 81 H ASP 81 -5.933 11.570 -2.055 626 HA ASP 81 HA ASP 81 -5.513 9.167 -3.713 627 HB2 ASP 81 2HB ASP 81 -3.954 10.198 -1.348 628 HB3 ASP 81 3HB ASP 81 -3.740 8.604 -2.089 629 H GLN 82 H GLN 82 -6.798 10.204 -0.537 630 HA GLN 82 HA GLN 82 -7.553 7.589 0.357 631 HB2 GLN 82 2HB GLN 82 -8.756 10.349 0.781 632 HB3 GLN 82 3HB GLN 82 -9.464 8.892 1.488 633 HG2 GLN 82 2HG GLN 82 -7.321 8.358 2.591 634 HG3 GLN 82 3HG GLN 82 -6.601 9.832 1.940 635 HE21 GLN 82 2HE2 GLN 82 -6.662 9.320 4.703 636 HE22 GLN 82 1HE2 GLN 82 -7.742 10.506 5.444 637 H GLN 83 H GLN 83 -9.237 9.925 -1.797 638 HA GLN 83 HA GLN 83 -11.449 8.250 -2.442 639 HB2 GLN 83 2HB GLN 83 -10.054 10.493 -3.947 640 HB3 GLN 83 3HB GLN 83 -11.511 9.718 -4.552 641 HG2 GLN 83 2HG GLN 83 -11.349 11.038 -1.807 642 HG3 GLN 83 3HG GLN 83 -11.830 11.889 -3.264 643 HE21 GLN 83 2HE2 GLN 83 -13.674 12.005 -1.342 644 HE22 GLN 83 1HE2 GLN 83 -14.988 10.879 -1.653 645 H LYS 84 H LYS 84 -8.137 8.290 -3.966 646 HA LYS 84 HA LYS 84 -9.052 6.544 -6.094 647 HB2 LYS 84 2HB LYS 84 -7.051 6.885 -7.113 648 HB3 LYS 84 3HB LYS 84 -7.325 8.404 -6.270 649 HG2 LYS 84 2HG LYS 84 -5.174 8.201 -5.798 650 HG3 LYS 84 3HG LYS 84 -5.758 7.230 -4.441 651 HD2 LYS 84 2HD LYS 84 -5.342 5.179 -5.628 652 HD3 LYS 84 3HD LYS 84 -4.902 6.051 -7.103 653 HE2 LYS 84 2HE LYS 84 -3.392 6.129 -4.452 654 HE3 LYS 84 3HE LYS 84 -2.920 5.224 -5.890 655 HZ1 LYS 84 3HZ LYS 84 -2.954 8.174 -5.560 656 HZ2 LYS 84 1HZ LYS 84 -1.689 7.227 -5.940 657 HZ3 LYS 84 2HZ LYS 84 -2.859 7.469 -7.050 658 H VAL 85 H VAL 85 -7.299 6.156 -3.036 659 HA VAL 85 HA VAL 85 -6.725 3.350 -3.549 660 HB VAL 85 HB VAL 85 -6.743 5.004 -1.001 661 HG11 VAL 85 1HG1 VAL 85 -5.827 2.106 -1.320 662 HG12 VAL 85 2HG1 VAL 85 -5.458 3.149 0.065 663 HG13 VAL 85 3HG1 VAL 85 -7.131 2.705 -0.259 664 HG21 VAL 85 3HG2 VAL 85 -4.328 4.905 -1.223 665 HG22 VAL 85 1HG2 VAL 85 -4.446 3.803 -2.608 666 HG23 VAL 85 2HG2 VAL 85 -4.993 5.483 -2.757 667 H LYS 86 H LYS 86 -9.430 5.028 -1.839 668 HA LYS 86 HA LYS 86 -10.941 2.629 -1.277 669 HB2 LYS 86 2HB LYS 86 -11.818 5.507 -1.770 670 HB3 LYS 86 3HB LYS 86 -12.922 4.201 -1.326 671 HG2 LYS 86 2HG LYS 86 -11.652 3.818 0.775 672 HG3 LYS 86 3HG LYS 86 -10.541 5.102 0.346 673 HD2 LYS 86 2HD LYS 86 -12.087 6.060 1.890 674 HD3 LYS 86 3HD LYS 86 -12.541 6.697 0.299 675 HE2 LYS 86 2HE LYS 86 -14.301 4.880 0.180 676 HE3 LYS 86 3HE LYS 86 -13.810 4.363 1.803 677 HZ1 LYS 86 3HZ LYS 86 -14.476 6.559 2.630 678 HZ2 LYS 86 1HZ LYS 86 -14.926 7.039 1.132 679 HZ3 LYS 86 2HZ LYS 86 -15.738 5.842 1.886 680 H LYS 87 H LYS 87 -11.058 4.834 -4.121 681 HA LYS 87 HA LYS 87 -12.974 3.386 -5.628 682 HB2 LYS 87 2HB LYS 87 -12.283 5.646 -6.132 683 HB3 LYS 87 3HB LYS 87 -10.692 5.072 -6.677 684 HG2 LYS 87 2HG LYS 87 -11.678 3.869 -8.528 685 HG3 LYS 87 3HG LYS 87 -13.318 4.076 -7.872 686 HD2 LYS 87 2HD LYS 87 -13.180 6.493 -8.182 687 HD3 LYS 87 3HD LYS 87 -11.519 6.347 -8.808 688 HE2 LYS 87 2HE LYS 87 -12.357 4.933 -10.678 689 HE3 LYS 87 3HE LYS 87 -14.005 5.077 -10.054 690 HZ1 LYS 87 3HZ LYS 87 -13.588 6.678 -11.831 691 HZ2 LYS 87 1HZ LYS 87 -13.869 7.482 -10.441 692 HZ3 LYS 87 2HZ LYS 87 -12.345 7.350 -11.016 693 H THR 88 H THR 88 -9.410 2.993 -5.615 694 HA THR 88 HA THR 88 -9.345 0.936 -7.574 695 HB THR 88 HB THR 88 -7.302 1.454 -5.392 696 HG1 THR 88 1HG THR 88 -7.600 3.268 -6.631 697 HG21 THR 88 1HG2 THR 88 -7.166 0.123 -8.127 698 HG22 THR 88 2HG2 THR 88 -5.760 0.495 -7.092 699 HG23 THR 88 3HG2 THR 88 -6.951 -0.699 -6.562 700 H ALA 89 H ALA 89 -9.841 0.757 -4.049 701 HA ALA 89 HA ALA 89 -9.531 -2.101 -3.850 702 HB1 ALA 89 1HB ALA 89 -10.872 -0.040 -2.051 703 HB2 ALA 89 2HB ALA 89 -10.549 -1.731 -1.629 704 HB3 ALA 89 3HB ALA 89 -9.195 -0.620 -1.947 705 H GLU 90 H GLU 90 -12.350 0.100 -4.395 706 HA GLU 90 HA GLU 90 -14.136 -2.215 -4.505 707 HB2 GLU 90 2HB GLU 90 -15.902 -0.752 -5.175 708 HB3 GLU 90 3HB GLU 90 -15.088 -0.162 -3.720 709 HG2 GLU 90 2HG GLU 90 -13.935 1.539 -5.053 710 HG3 GLU 90 3HG GLU 90 -14.669 0.927 -6.538 711 H ALA 91 H ALA 91 -12.332 -0.370 -6.873 712 HA ALA 91 HA ALA 91 -13.504 -1.524 -9.202 713 HB1 ALA 91 1HB ALA 91 -10.747 -0.284 -8.729 714 HB2 ALA 91 2HB ALA 91 -11.478 -0.580 -10.318 715 HB3 ALA 91 3HB ALA 91 -12.217 0.586 -9.206 716 H GLY 92 H GLY 92 -11.482 -2.985 -6.855 717 HA2 GLY 92 2HA GLY 92 -10.677 -5.142 -6.713 718 HA3 GLY 92 3HA GLY 92 -11.244 -5.473 -8.353 719 H GLY 93 H GLY 93 -9.053 -2.773 -7.638 720 HA2 GLY 93 2HA GLY 93 -6.674 -2.873 -7.633 721 HA3 GLY 93 3HA GLY 93 -6.700 -4.269 -8.705 722 H VAL 94 H VAL 94 -5.322 -1.694 -8.859 723 HA VAL 94 HA VAL 94 -6.441 -0.256 -11.142 724 HB VAL 94 HB VAL 94 -5.158 0.818 -9.280 725 HG11 VAL 94 1HG1 VAL 94 -2.756 0.858 -9.283 726 HG12 VAL 94 2HG1 VAL 94 -3.249 -0.845 -9.234 727 HG13 VAL 94 3HG1 VAL 94 -2.667 -0.137 -10.750 728 HG21 VAL 94 3HG2 VAL 94 -4.042 1.436 -12.032 729 HG22 VAL 94 1HG2 VAL 94 -5.627 1.970 -11.421 730 HG23 VAL 94 2HG2 VAL 94 -4.139 2.509 -10.630 731 H THR 95 H THR 95 -5.510 -0.029 -13.203 732 HA THR 95 HA THR 95 -3.920 -2.364 -14.163 733 HB THR 95 HB THR 95 -4.903 -1.914 -16.363 734 HG1 THR 95 1HG THR 95 -6.634 -0.462 -16.491 735 HG21 THR 95 1HG2 THR 95 -7.159 -2.719 -15.869 736 HG22 THR 95 2HG2 THR 95 -6.013 -3.490 -14.758 737 HG23 THR 95 3HG2 THR 95 -7.039 -2.160 -14.185 738 H GLY 96 H GLY 96 -2.307 -2.019 -15.789 739 HA2 GLY 96 2HA GLY 96 -0.461 -0.874 -16.684 740 HA3 GLY 96 3HA GLY 96 -1.124 0.655 -16.108 741 H LYS 97 H LYS 97 1.242 0.921 -15.614 742 HA LYS 97 HA LYS 97 1.976 -0.134 -12.896 743 HB2 LYS 97 2HB LYS 97 3.770 0.320 -15.311 744 HB3 LYS 97 3HB LYS 97 4.357 0.004 -13.672 745 HG2 LYS 97 2HG LYS 97 3.169 -2.163 -13.638 746 HG3 LYS 97 3HG LYS 97 2.613 -1.905 -15.298 747 HD2 LYS 97 2HD LYS 97 5.531 -2.101 -14.425 748 HD3 LYS 97 3HD LYS 97 4.579 -3.414 -15.133 749 HE2 LYS 97 2HE LYS 97 4.229 -2.044 -17.190 750 HE3 LYS 97 3HE LYS 97 5.238 -0.766 -16.501 751 HZ1 LYS 97 3HZ LYS 97 6.521 -2.205 -17.975 752 HZ2 LYS 97 1HZ LYS 97 7.094 -2.347 -16.453 753 HZ3 LYS 97 2HZ LYS 97 6.162 -3.529 -17.093 754 H GLY 98 H GLY 98 2.669 1.217 -11.428 755 HA2 GLY 98 2HA GLY 98 3.089 4.125 -12.075 756 HA3 GLY 98 3HA GLY 98 2.489 3.511 -10.539 757 H GLN 99 H GLN 99 5.230 4.500 -12.231 758 HA GLN 99 HA GLN 99 7.008 3.914 -9.991 759 HB2 GLN 99 2HB GLN 99 7.045 2.260 -12.397 760 HB3 GLN 99 3HB GLN 99 8.537 3.176 -12.318 761 HG2 GLN 99 2HG GLN 99 7.476 1.487 -10.007 762 HG3 GLN 99 3HG GLN 99 8.593 0.907 -11.238 763 HE21 GLN 99 2HE2 GLN 99 10.637 0.712 -10.223 764 HE22 GLN 99 1HE2 GLN 99 11.341 2.104 -9.391 765 H ASP 100 H ASP 100 9.005 5.082 -10.108 766 HA ASP 100 HA ASP 100 9.159 7.357 -12.041 767 HB2 ASP 100 2HB ASP 100 7.792 8.006 -10.036 768 HB3 ASP 100 3HB ASP 100 9.186 7.657 -9.013 769 H GLY 101 H GLY 101 10.878 5.113 -9.920 770 HA2 GLY 101 2HA GLY 101 13.455 5.581 -11.010 771 HA3 GLY 101 3HA GLY 101 13.292 6.580 -9.563 772 H ILE 102 H ILE 102 14.909 5.377 -8.433 773 HA ILE 102 HA ILE 102 13.844 2.899 -7.232 774 HB ILE 102 HB ILE 102 15.321 2.292 -9.164 775 HG12 ILE 102 2HG1 ILE 102 16.152 1.282 -6.418 776 HG13 ILE 102 3HG1 ILE 102 14.755 0.755 -7.365 777 HG21 ILE 102 1HG2 ILE 102 17.038 4.098 -8.815 778 HG22 ILE 102 2HG2 ILE 102 17.634 3.198 -7.402 779 HG23 ILE 102 3HG2 ILE 102 17.718 2.486 -9.026 780 HD11 ILE 102 3HD1 ILE 102 16.289 -0.060 -9.153 781 HD12 ILE 102 1HD1 ILE 102 17.673 0.344 -8.105 782 HD13 ILE 102 2HD1 ILE 102 16.502 -0.880 -7.595 783 H GLY 103 H GLY 103 14.318 2.577 -5.145 784 HA2 GLY 103 2HA GLY 103 15.482 4.767 -3.545 785 HA3 GLY 103 3HA GLY 103 14.749 3.278 -2.953 786 H SER 104 H SER 104 16.726 3.643 -1.506 787 HA SER 104 HA SER 104 19.303 2.580 -2.410 788 HB2 SER 104 2HB SER 104 18.132 2.643 0.395 789 HB3 SER 104 3HB SER 104 19.835 2.463 -0.053 790 HG SER 104 HG SER 104 19.654 4.607 -1.014 791 H LYS 105 H LYS 105 20.049 0.424 -2.038 792 HA LYS 105 HA LYS 105 18.238 -1.702 -2.537 793 HB2 LYS 105 2HB LYS 105 20.598 -1.802 -3.098 794 HB3 LYS 105 3HB LYS 105 21.063 -1.707 -1.395 795 HG2 LYS 105 2HG LYS 105 20.091 -3.909 -0.949 796 HG3 LYS 105 3HG LYS 105 19.452 -3.999 -2.604 797 HD2 LYS 105 2HD LYS 105 21.704 -4.071 -3.533 798 HD3 LYS 105 3HD LYS 105 22.418 -3.695 -1.964 799 HE2 LYS 105 2HE LYS 105 22.738 -6.045 -2.457 800 HE3 LYS 105 3HE LYS 105 21.693 -5.847 -1.047 801 HZ1 LYS 105 3HZ LYS 105 19.790 -6.343 -2.402 802 HZ2 LYS 105 1HZ LYS 105 20.694 -6.435 -3.787 803 HZ3 LYS 105 2HZ LYS 105 20.852 -7.542 -2.577 804 H ALA 106 H ALA 106 16.648 -2.320 -1.294 805 HA ALA 106 HA ALA 106 16.989 -2.489 1.671 806 HB1 ALA 106 1HB ALA 106 14.581 -1.774 -0.035 807 HB2 ALA 106 2HB ALA 106 14.574 -1.916 1.740 808 HB3 ALA 106 3HB ALA 106 15.559 -0.674 0.946 809 H GLU 107 H GLU 107 17.184 -4.649 -0.654 810 HA GLU 107 HA GLU 107 16.131 -6.786 1.066 811 HB2 GLU 107 2HB GLU 107 14.357 -6.367 -0.636 812 HB3 GLU 107 3HB GLU 107 15.520 -6.662 -1.922 813 HG2 GLU 107 2HG GLU 107 14.047 -8.580 -1.543 814 HG3 GLU 107 3HG GLU 107 15.717 -9.010 -1.212 815 H LYS 108 H LYS 108 17.227 -8.800 0.750 816 HA LYS 108 HA LYS 108 20.047 -8.444 0.287 817 HB2 LYS 108 2HB LYS 108 19.109 -9.886 2.056 818 HB3 LYS 108 3HB LYS 108 18.405 -10.946 0.838 819 HG2 LYS 108 2HG LYS 108 20.415 -11.937 1.759 820 HG3 LYS 108 3HG LYS 108 20.653 -11.581 0.048 821 HD2 LYS 108 2HD LYS 108 21.978 -9.554 0.649 822 HD3 LYS 108 3HD LYS 108 21.635 -9.842 2.359 823 HE2 LYS 108 2HE LYS 108 23.851 -10.621 1.937 824 HE3 LYS 108 3HE LYS 108 22.829 -12.035 2.206 825 HZ1 LYS 108 3HZ LYS 108 23.674 -11.023 -0.464 826 HZ2 LYS 108 1HZ LYS 108 24.313 -12.320 0.291 827 HZ3 LYS 108 2HZ LYS 108 22.764 -12.358 -0.213 Start of MODEL 19 1 H1 MET 1 H1 MET 1 -7.264 -15.388 22.524 2 H2 MET 1 H2 MET 1 -5.844 -16.027 23.014 3 H3 MET 1 H3 MET 1 -6.800 -16.870 21.991 4 HA MET 1 HA MET 1 -4.939 -15.927 20.795 5 HB2 MET 1 2HB MET 1 -7.608 -14.607 20.118 6 HB3 MET 1 3HB MET 1 -6.188 -14.600 19.073 7 HG2 MET 1 2HG MET 1 -7.749 -17.055 19.942 8 HG3 MET 1 3HG MET 1 -7.739 -16.304 18.353 9 HE1 MET 1 1HE MET 1 -5.986 -19.720 17.651 10 HE2 MET 1 2HE MET 1 -7.323 -19.404 18.778 11 HE3 MET 1 3HE MET 1 -7.292 -18.609 17.186 12 H ALA 2 H ALA 2 -3.819 -14.042 20.019 13 HA ALA 2 HA ALA 2 -4.265 -11.478 21.419 14 HB1 ALA 2 1HB ALA 2 -2.717 -12.727 22.886 15 HB2 ALA 2 2HB ALA 2 -1.625 -13.006 21.510 16 HB3 ALA 2 3HB ALA 2 -1.898 -11.357 22.113 17 H GLU 3 H GLU 3 -3.181 -9.690 20.425 18 HA GLU 3 HA GLU 3 -1.950 -10.018 17.768 19 HB2 GLU 3 2HB GLU 3 -4.395 -10.105 17.348 20 HB3 GLU 3 3HB GLU 3 -4.608 -8.584 18.206 21 HG2 GLU 3 2HG GLU 3 -4.704 -8.295 15.779 22 HG3 GLU 3 3HG GLU 3 -3.384 -7.375 16.479 23 H SER 4 H SER 4 -0.845 -8.188 17.054 24 HA SER 4 HA SER 4 -0.623 -5.842 18.906 25 HB2 SER 4 2HB SER 4 1.776 -5.776 18.455 26 HB3 SER 4 3HB SER 4 1.305 -7.306 19.214 27 HG SER 4 HG SER 4 2.713 -7.658 17.456 28 H SER 5 H SER 5 -1.167 -6.919 15.698 29 HA SER 5 HA SER 5 -1.272 -4.133 14.687 30 HB2 SER 5 2HB SER 5 0.969 -5.162 14.121 31 HB3 SER 5 3HB SER 5 0.109 -6.411 13.208 32 HG SER 5 HG SER 5 0.708 -4.757 11.827 33 H ASP 6 H ASP 6 -3.506 -4.336 14.907 34 HA ASP 6 HA ASP 6 -4.883 -6.669 13.973 35 HB2 ASP 6 2HB ASP 6 -5.395 -5.407 16.051 36 HB3 ASP 6 3HB ASP 6 -6.008 -4.076 15.069 37 H LYS 7 H LYS 7 -3.636 -5.528 11.773 38 HA LYS 7 HA LYS 7 -5.725 -5.227 9.814 39 HB2 LYS 7 2HB LYS 7 -4.161 -3.166 8.941 40 HB3 LYS 7 3HB LYS 7 -5.710 -3.008 9.744 41 HG2 LYS 7 2HG LYS 7 -4.216 -1.429 10.691 42 HG3 LYS 7 3HG LYS 7 -4.592 -2.630 11.909 43 HD2 LYS 7 2HD LYS 7 -2.383 -3.761 11.415 44 HD3 LYS 7 3HD LYS 7 -2.032 -2.495 10.243 45 HE2 LYS 7 2HE LYS 7 -2.497 -0.839 12.232 46 HE3 LYS 7 3HE LYS 7 -2.365 -2.275 13.263 47 HZ1 LYS 7 3HZ LYS 7 -0.137 -2.627 12.262 48 HZ2 LYS 7 1HZ LYS 7 -0.269 -1.176 11.466 49 HZ3 LYS 7 2HZ LYS 7 -0.226 -1.215 13.099 50 H LEU 8 H LEU 8 -4.906 -5.652 7.756 51 HA LEU 8 HA LEU 8 -2.370 -7.211 7.783 52 HB2 LEU 8 2HB LEU 8 -3.338 -8.702 6.232 53 HB3 LEU 8 3HB LEU 8 -4.311 -8.631 7.687 54 HG LEU 8 HG LEU 8 -5.044 -7.103 5.158 55 HD11 LEU 8 1HD1 LEU 8 -6.560 -9.005 4.658 56 HD12 LEU 8 2HD1 LEU 8 -4.868 -9.513 4.653 57 HD13 LEU 8 3HD1 LEU 8 -5.903 -9.892 6.050 58 HD21 LEU 8 3HD2 LEU 8 -6.356 -6.270 6.988 59 HD22 LEU 8 1HD2 LEU 8 -7.382 -7.372 6.097 60 HD23 LEU 8 2HD2 LEU 8 -6.639 -7.917 7.614 61 H TYR 9 H TYR 9 -3.567 -4.317 6.582 62 HA TYR 9 HA TYR 9 -1.650 -4.397 4.319 63 HB2 TYR 9 2HB TYR 9 -4.334 -3.015 4.203 64 HB3 TYR 9 3HB TYR 9 -3.149 -3.148 2.917 65 HD1 TYR 9 HD1 TYR 9 -2.469 -5.954 2.788 66 HD2 TYR 9 HD2 TYR 9 -6.275 -4.125 3.545 67 HE1 TYR 9 HE1 TYR 9 -3.603 -8.005 1.938 68 HE2 TYR 9 HE2 TYR 9 -7.426 -6.167 2.709 69 HH TYR 9 HH TYR 9 -5.594 -9.022 1.517 70 H ARG 10 H ARG 10 -0.847 -2.353 3.739 71 HA ARG 10 HA ARG 10 -0.993 -0.143 5.702 72 HB2 ARG 10 2HB ARG 10 0.802 -1.462 6.552 73 HB3 ARG 10 3HB ARG 10 1.358 -1.883 4.951 74 HG2 ARG 10 2HG ARG 10 2.985 -0.441 5.910 75 HG3 ARG 10 3HG ARG 10 2.206 0.418 4.598 76 HD2 ARG 10 2HD ARG 10 2.424 1.996 6.373 77 HD3 ARG 10 3HD ARG 10 0.728 1.555 6.318 78 HE ARG 10 HE ARG 10 0.895 0.549 8.429 79 HH11 ARG 10 1HH2 ARG 10 4.182 1.243 7.397 80 HH12 ARG 10 2HH2 ARG 10 4.803 0.972 9.001 81 HH21 ARG 10 1HH1 ARG 10 1.687 0.325 10.344 82 HH22 ARG 10 2HH1 ARG 10 3.416 0.432 10.667 83 H VAL 11 H VAL 11 -0.627 1.883 4.736 84 HA VAL 11 HA VAL 11 0.516 2.022 2.001 85 HB VAL 11 HB VAL 11 -2.012 1.949 1.915 86 HG11 VAL 11 1HG1 VAL 11 -1.874 4.812 2.949 87 HG12 VAL 11 2HG1 VAL 11 -3.312 3.898 2.463 88 HG13 VAL 11 3HG1 VAL 11 -2.400 3.450 3.921 89 HG21 VAL 11 3HG2 VAL 11 -0.552 2.978 0.095 90 HG22 VAL 11 1HG2 VAL 11 -2.180 3.665 0.195 91 HG23 VAL 11 2HG2 VAL 11 -0.787 4.546 0.861 92 H GLU 12 H GLU 12 1.688 3.914 1.582 93 HA GLU 12 HA GLU 12 1.371 6.255 3.276 94 HB2 GLU 12 2HB GLU 12 3.596 6.420 4.156 95 HB3 GLU 12 3HB GLU 12 2.953 4.858 4.657 96 HG2 GLU 12 2HG GLU 12 4.250 3.744 2.868 97 HG3 GLU 12 3HG GLU 12 4.855 5.295 2.308 98 H TYR 13 H TYR 13 2.492 8.090 2.636 99 HA TYR 13 HA TYR 13 3.579 8.224 -0.101 100 HB2 TYR 13 2HB TYR 13 3.548 10.229 2.184 101 HB3 TYR 13 3HB TYR 13 4.109 10.543 0.548 102 HD1 TYR 13 HD1 TYR 13 1.568 8.768 -0.596 103 HD2 TYR 13 HD2 TYR 13 2.078 12.178 2.005 104 HE1 TYR 13 HE1 TYR 13 -0.567 9.722 -1.420 105 HE2 TYR 13 HE2 TYR 13 -0.117 13.077 1.238 106 HH TYR 13 HH TYR 13 -1.920 11.563 -1.451 107 H ALA 14 H ALA 14 5.593 7.762 -0.582 108 HA ALA 14 HA ALA 14 7.406 6.678 1.351 109 HB1 ALA 14 1HB ALA 14 7.701 7.401 -1.596 110 HB2 ALA 14 2HB ALA 14 8.849 6.413 -0.670 111 HB3 ALA 14 3HB ALA 14 7.189 5.842 -0.937 112 H LYS 15 H LYS 15 8.557 7.854 2.761 113 HA LYS 15 HA LYS 15 9.411 10.608 2.214 114 HB2 LYS 15 2HB LYS 15 8.501 9.807 4.410 115 HB3 LYS 15 3HB LYS 15 9.911 8.777 4.602 116 HG2 LYS 15 2HG LYS 15 10.128 10.789 5.944 117 HG3 LYS 15 3HG LYS 15 11.390 10.727 4.726 118 HD2 LYS 15 2HD LYS 15 10.541 12.994 4.990 119 HD3 LYS 15 3HD LYS 15 10.190 12.413 3.361 120 HE2 LYS 15 2HE LYS 15 7.852 11.906 4.037 121 HE3 LYS 15 3HE LYS 15 8.214 12.409 5.693 122 HZ1 LYS 15 3HZ LYS 15 8.653 14.652 4.847 123 HZ2 LYS 15 1HZ LYS 15 8.320 14.192 3.315 124 HZ3 LYS 15 2HZ LYS 15 7.143 14.192 4.444 125 H SER 16 H SER 16 10.940 7.467 2.183 126 HA SER 16 HA SER 16 13.405 8.584 1.018 127 HB2 SER 16 2HB SER 16 13.738 8.551 3.512 128 HB3 SER 16 3HB SER 16 13.557 6.785 3.461 129 HG SER 16 HG SER 16 15.770 7.598 3.302 130 H GLY 17 H GLY 17 14.728 6.983 0.012 131 HA2 GLY 17 2HA GLY 17 13.302 4.763 -1.263 132 HA3 GLY 17 3HA GLY 17 14.963 5.282 -1.558 133 H ARG 18 H ARG 18 13.060 3.976 1.149 134 HA ARG 18 HA ARG 18 15.139 1.909 1.753 135 HB2 ARG 18 2HB ARG 18 13.769 3.809 3.708 136 HB3 ARG 18 3HB ARG 18 14.783 2.454 4.193 137 HG2 ARG 18 2HG ARG 18 15.751 4.825 2.542 138 HG3 ARG 18 3HG ARG 18 15.979 4.610 4.276 139 HD2 ARG 18 2HD ARG 18 17.284 2.569 3.903 140 HD3 ARG 18 3HD ARG 18 17.038 2.677 2.165 141 HE ARG 18 HE ARG 18 18.747 4.437 3.839 142 HH11 ARG 18 1HH2 ARG 18 17.656 3.751 0.540 143 HH12 ARG 18 2HH2 ARG 18 19.149 4.393 -0.135 144 HH21 ARG 18 1HH1 ARG 18 20.530 5.299 2.850 145 HH22 ARG 18 2HH1 ARG 18 20.700 5.201 1.112 146 H ALA 19 H ALA 19 12.465 1.788 0.430 147 HA ALA 19 HA ALA 19 11.683 -0.691 1.856 148 HB1 ALA 19 1HB ALA 19 9.712 1.213 0.530 149 HB2 ALA 19 2HB ALA 19 9.348 -0.386 1.204 150 HB3 ALA 19 3HB ALA 19 9.866 0.924 2.282 151 H SER 20 H SER 20 11.450 -2.429 0.544 152 HA SER 20 HA SER 20 12.251 -2.107 -2.315 153 HB2 SER 20 2HB SER 20 12.786 -4.429 -0.445 154 HB3 SER 20 3HB SER 20 13.235 -4.336 -2.159 155 HG SER 20 HG SER 20 14.955 -3.739 -0.711 156 H CYS 21 HN CYS 21 11.130 -3.103 -3.889 157 HA CYS 21 HA CYS 21 8.389 -3.859 -3.221 158 HB2 CYS 21 2HB CYS 21 9.002 -2.386 -5.114 159 HB3 CYS 21 3HB CYS 21 9.800 -3.763 -5.898 160 H LYS 22 H LYS 22 7.756 -5.787 -2.723 161 HA LYS 22 HA LYS 22 9.397 -8.164 -3.012 162 HB2 LYS 22 2HB LYS 22 6.528 -7.746 -2.096 163 HB3 LYS 22 3HB LYS 22 7.419 -9.237 -1.838 164 HG2 LYS 22 2HG LYS 22 8.427 -6.580 -0.769 165 HG3 LYS 22 3HG LYS 22 7.167 -7.480 0.056 166 HD2 LYS 22 2HD LYS 22 8.647 -9.453 0.218 167 HD3 LYS 22 3HD LYS 22 9.892 -8.600 -0.735 168 HE2 LYS 22 2HE LYS 22 10.026 -6.869 1.056 169 HE3 LYS 22 3HE LYS 22 8.805 -7.757 1.987 170 HZ1 LYS 22 3HZ LYS 22 11.482 -8.822 1.257 171 HZ2 LYS 22 1HZ LYS 22 11.052 -8.302 2.742 172 HZ3 LYS 22 2HZ LYS 22 10.350 -9.634 2.112 173 H LYS 23 H LYS 23 7.191 -6.755 -5.106 174 HA LYS 23 HA LYS 23 6.403 -9.313 -6.442 175 HB2 LYS 23 2HB LYS 23 4.575 -7.874 -5.818 176 HB3 LYS 23 3HB LYS 23 5.300 -6.504 -6.659 177 HG2 LYS 23 2HG LYS 23 3.402 -7.438 -7.877 178 HG3 LYS 23 3HG LYS 23 4.884 -7.567 -8.824 179 HD2 LYS 23 2HD LYS 23 5.070 -9.963 -8.299 180 HD3 LYS 23 3HD LYS 23 3.690 -9.859 -7.194 181 HE2 LYS 23 2HE LYS 23 2.221 -9.216 -9.079 182 HE3 LYS 23 3HE LYS 23 3.601 -9.278 -10.186 183 HZ1 LYS 23 3HZ LYS 23 3.798 -11.655 -9.717 184 HZ2 LYS 23 1HZ LYS 23 2.544 -11.608 -8.668 185 HZ3 LYS 23 2HZ LYS 23 2.292 -11.331 -10.255 186 H CYS 24 HN CYS 24 7.755 -6.114 -7.435 187 HA CYS 24 HA CYS 24 8.691 -7.453 -9.919 188 HB2 CYS 24 2HB CYS 24 8.658 -5.470 -11.063 189 HB3 CYS 24 3HB CYS 24 7.132 -5.568 -10.192 190 H SER 25 H SER 25 9.984 -6.935 -7.018 191 HA SER 25 HA SER 25 12.033 -7.036 -6.146 192 HB2 SER 25 2HB SER 25 12.882 -8.114 -8.843 193 HB3 SER 25 3HB SER 25 13.752 -8.294 -7.310 194 HG SER 25 HG SER 25 12.444 -10.124 -7.795 195 H GLU 26 H GLU 26 11.355 -4.494 -7.533 196 HA GLU 26 HA GLU 26 14.061 -3.261 -7.791 197 HB2 GLU 26 2HB GLU 26 11.251 -2.246 -8.345 198 HB3 GLU 26 3HB GLU 26 12.673 -1.211 -8.395 199 HG2 GLU 26 2HG GLU 26 12.409 -3.690 -10.139 200 HG3 GLU 26 3HG GLU 26 11.858 -2.092 -10.619 201 H SER 27 H SER 27 13.977 -0.907 -6.720 202 HA SER 27 HA SER 27 12.946 -1.117 -3.934 203 HB2 SER 27 2HB SER 27 15.326 -0.742 -4.115 204 HB3 SER 27 3HB SER 27 15.023 0.766 -5.023 205 HG SER 27 HG SER 27 15.241 1.380 -2.959 206 H ILE 28 H ILE 28 11.985 0.823 -3.088 207 HA ILE 28 HA ILE 28 10.200 1.967 -5.151 208 HB ILE 28 HB ILE 28 9.663 1.588 -2.186 209 HG12 ILE 28 2HG1 ILE 28 8.456 -0.058 -4.446 210 HG13 ILE 28 3HG1 ILE 28 9.878 -0.594 -3.553 211 HG21 ILE 28 1HG2 ILE 28 7.291 2.038 -2.978 212 HG22 ILE 28 2HG2 ILE 28 8.351 3.436 -3.193 213 HG23 ILE 28 3HG2 ILE 28 7.922 2.416 -4.575 214 HD11 ILE 28 3HD1 ILE 28 8.648 -0.495 -1.423 215 HD12 ILE 28 1HD1 ILE 28 7.165 -0.063 -2.302 216 HD13 ILE 28 2HD1 ILE 28 7.942 -1.626 -2.585 217 HA PRO 29 HA PRO 29 12.535 5.673 -4.040 218 HB2 PRO 29 2HB PRO 29 11.649 7.392 -5.967 219 HB3 PRO 29 3HB PRO 29 12.713 6.004 -6.334 220 HG2 PRO 29 2HG PRO 29 9.689 6.139 -6.564 221 HG3 PRO 29 3HG PRO 29 10.868 5.566 -7.790 222 HD2 PRO 29 2HD PRO 29 9.556 3.851 -6.131 223 HD3 PRO 29 3HD PRO 29 11.254 3.559 -6.616 224 H LYS 30 H LYS 30 12.242 7.800 -3.232 225 HA LYS 30 HA LYS 30 9.836 8.240 -1.675 226 HB2 LYS 30 2HB LYS 30 10.920 10.171 -0.799 227 HB3 LYS 30 3HB LYS 30 12.019 8.801 -0.805 228 HG2 LYS 30 2HG LYS 30 13.209 9.679 -2.755 229 HG3 LYS 30 3HG LYS 30 12.081 11.038 -2.885 230 HD2 LYS 30 2HD LYS 30 13.779 10.472 -0.418 231 HD3 LYS 30 3HD LYS 30 14.303 11.537 -1.725 232 HE2 LYS 30 2HE LYS 30 12.710 13.175 -1.273 233 HE3 LYS 30 3HE LYS 30 11.603 12.057 -0.483 234 HZ1 LYS 30 3HZ LYS 30 12.744 13.528 1.103 235 HZ2 LYS 30 1HZ LYS 30 13.021 11.947 1.414 236 HZ3 LYS 30 2HZ LYS 30 14.191 12.874 0.712 237 H ASP 31 H ASP 31 8.741 10.324 -1.597 238 HA ASP 31 HA ASP 31 7.106 11.605 -2.458 239 HB2 ASP 31 2HB ASP 31 9.108 12.247 -4.644 240 HB3 ASP 31 3HB ASP 31 7.611 13.120 -4.337 241 H SER 32 H SER 32 6.762 8.975 -2.862 242 HA SER 32 HA SER 32 4.907 8.894 -5.154 243 HB2 SER 32 2HB SER 32 7.122 7.884 -5.875 244 HB3 SER 32 3HB SER 32 6.877 6.634 -4.637 245 HG SER 32 HG SER 32 6.082 6.081 -6.779 246 H LEU 33 H LEU 33 3.587 6.747 -4.943 247 HA LEU 33 HA LEU 33 2.701 6.504 -2.105 248 HB2 LEU 33 2HB LEU 33 1.071 7.434 -3.754 249 HB3 LEU 33 3HB LEU 33 1.224 5.958 -4.705 250 HG LEU 33 HG LEU 33 0.331 4.662 -2.729 251 HD11 LEU 33 1HD1 LEU 33 -0.957 5.941 -1.025 252 HD12 LEU 33 2HD1 LEU 33 0.779 6.239 -0.892 253 HD13 LEU 33 3HD1 LEU 33 -0.280 7.448 -1.652 254 HD21 LEU 33 3HD2 LEU 33 -1.469 6.893 -3.750 255 HD22 LEU 33 1HD2 LEU 33 -1.103 5.391 -4.631 256 HD23 LEU 33 2HD2 LEU 33 -1.996 5.324 -3.104 257 H ARG 34 H ARG 34 2.805 4.556 -1.095 258 HA ARG 34 HA ARG 34 3.289 2.076 -2.630 259 HB2 ARG 34 2HB ARG 34 5.278 1.478 -1.424 260 HB3 ARG 34 3HB ARG 34 5.486 3.000 -2.294 261 HG2 ARG 34 2HG ARG 34 5.305 4.271 -0.186 262 HG3 ARG 34 3HG ARG 34 5.062 2.758 0.712 263 HD2 ARG 34 2HD ARG 34 7.268 1.930 -0.057 264 HD3 ARG 34 3HD ARG 34 7.492 3.412 -1.001 265 HE ARG 34 HE ARG 34 7.095 3.780 1.910 266 HH11 ARG 34 1HH2 ARG 34 9.576 3.637 -0.637 267 HH12 ARG 34 2HH2 ARG 34 10.679 4.523 0.380 268 HH21 ARG 34 1HH1 ARG 34 8.549 4.695 3.054 269 HH22 ARG 34 2HH1 ARG 34 10.214 4.920 2.478 270 H MET 35 H MET 35 3.088 0.143 -1.441 271 HA MET 35 HA MET 35 1.332 0.335 0.934 272 HB2 MET 35 2HB MET 35 0.736 -1.093 -1.684 273 HB3 MET 35 3HB MET 35 -0.055 -1.523 -0.159 274 HG2 MET 35 2HG MET 35 -0.826 0.814 0.084 275 HG3 MET 35 3HG MET 35 -0.132 1.198 -1.495 276 HE1 MET 35 3HE MET 35 -2.390 -1.894 -0.163 277 HE2 MET 35 1HE MET 35 -2.949 -0.369 0.575 278 HE3 MET 35 2HE MET 35 -3.979 -1.212 -0.606 279 H ALA 36 H ALA 36 1.145 -1.580 2.166 280 HA ALA 36 HA ALA 36 3.251 -3.599 1.744 281 HB1 ALA 36 1HB ALA 36 4.627 -2.772 3.284 282 HB2 ALA 36 2HB ALA 36 3.497 -1.471 3.680 283 HB3 ALA 36 3HB ALA 36 3.394 -3.032 4.518 284 H ILE 37 H ILE 37 3.067 -5.441 3.262 285 HA ILE 37 HA ILE 37 0.266 -5.915 4.193 286 HB ILE 37 HB ILE 37 1.972 -7.398 2.278 287 HG12 ILE 37 2HG1 ILE 37 -0.999 -7.555 2.889 288 HG13 ILE 37 3HG1 ILE 37 -0.278 -6.244 1.941 289 HG21 ILE 37 1HG2 ILE 37 0.440 -8.991 4.351 290 HG22 ILE 37 2HG2 ILE 37 1.175 -9.610 2.834 291 HG23 ILE 37 3HG2 ILE 37 2.206 -8.956 4.103 292 HD11 ILE 37 3HD1 ILE 37 -0.276 -9.181 1.183 293 HD12 ILE 37 1HD1 ILE 37 -1.252 -7.879 0.473 294 HD13 ILE 37 2HD1 ILE 37 0.507 -7.872 0.266 295 H MET 38 H MET 38 -0.004 -6.810 6.170 296 HA MET 38 HA MET 38 2.442 -6.901 7.830 297 HB2 MET 38 2HB MET 38 -0.451 -7.027 8.706 298 HB3 MET 38 3HB MET 38 0.933 -6.780 9.752 299 HG2 MET 38 2HG MET 38 0.326 -4.781 7.549 300 HG3 MET 38 3HG MET 38 -0.610 -4.788 9.022 301 HE1 MET 38 3HE MET 38 2.970 -4.672 7.619 302 HE2 MET 38 1HE MET 38 3.911 -3.863 8.906 303 HE3 MET 38 2HE MET 38 3.375 -5.537 9.123 304 H VAL 39 H VAL 39 3.500 -8.729 7.678 305 HA VAL 39 HA VAL 39 2.069 -11.340 7.805 306 HB VAL 39 HB VAL 39 5.065 -11.128 7.549 307 HG11 VAL 39 1HG1 VAL 39 4.059 -13.338 7.827 308 HG12 VAL 39 2HG1 VAL 39 3.009 -13.053 6.415 309 HG13 VAL 39 3HG1 VAL 39 4.774 -13.162 6.227 310 HG21 VAL 39 3HG2 VAL 39 3.123 -10.701 5.259 311 HG22 VAL 39 1HG2 VAL 39 4.390 -9.572 5.833 312 HG23 VAL 39 2HG2 VAL 39 4.842 -11.099 5.075 313 H GLN 40 H GLN 40 2.231 -12.716 9.575 314 HA GLN 40 HA GLN 40 3.635 -11.826 12.009 315 HB2 GLN 40 2HB GLN 40 2.949 -14.110 12.850 316 HB3 GLN 40 3HB GLN 40 1.662 -12.954 12.502 317 HG2 GLN 40 2HG GLN 40 1.113 -14.060 10.411 318 HG3 GLN 40 3HG GLN 40 2.482 -15.159 10.568 319 HE21 GLN 40 2HE2 GLN 40 0.377 -16.599 10.173 320 HE22 GLN 40 1HE2 GLN 40 -0.348 -17.197 11.659 321 H SER 41 H SER 41 5.750 -12.117 12.385 322 HA SER 41 HA SER 41 7.283 -13.667 10.425 323 HB2 SER 41 2HB SER 41 7.887 -11.321 10.973 324 HB3 SER 41 3HB SER 41 8.271 -11.846 12.621 325 HG SER 41 HG SER 41 9.602 -12.349 10.198 326 HA PRO 42 HA PRO 42 8.533 -16.651 13.508 327 HB2 PRO 42 2HB PRO 42 9.944 -18.383 11.959 328 HB3 PRO 42 3HB PRO 42 8.162 -18.241 11.829 329 HG2 PRO 42 2HG PRO 42 10.271 -16.918 10.103 330 HG3 PRO 42 3HG PRO 42 8.812 -17.810 9.566 331 HD2 PRO 42 2HD PRO 42 8.920 -15.046 9.821 332 HD3 PRO 42 3HD PRO 42 7.413 -15.981 10.045 333 H MET 43 H MET 43 10.424 -14.394 11.773 334 HA MET 43 HA MET 43 12.981 -15.096 13.141 335 HB2 MET 43 2HB MET 43 12.358 -13.383 10.748 336 HB3 MET 43 3HB MET 43 13.928 -13.370 11.546 337 HG2 MET 43 2HG MET 43 14.455 -15.554 10.987 338 HG3 MET 43 3HG MET 43 12.778 -16.042 10.756 339 HE1 MET 43 3HE MET 43 11.698 -14.651 7.416 340 HE2 MET 43 1HE MET 43 11.539 -16.076 8.469 341 HE3 MET 43 2HE MET 43 11.319 -14.458 9.152 342 H PHE 44 H PHE 44 10.611 -12.478 12.757 343 HA PHE 44 HA PHE 44 12.005 -10.766 14.751 344 HB2 PHE 44 2HB PHE 44 11.564 -9.722 12.611 345 HB3 PHE 44 3HB PHE 44 9.873 -10.182 12.675 346 HD1 PHE 44 HD2 PHE 44 12.451 -8.112 14.455 347 HD2 PHE 44 HD1 PHE 44 8.262 -8.748 13.653 348 HE1 PHE 44 HE2 PHE 44 11.899 -5.989 15.626 349 HE2 PHE 44 HE1 PHE 44 7.715 -6.619 14.809 350 HZ PHE 44 HZ PHE 44 9.532 -5.243 15.805 351 H ASP 45 H ASP 45 10.773 -9.754 16.395 352 HA ASP 45 HA ASP 45 9.013 -11.671 17.739 353 HB2 ASP 45 2HB ASP 45 11.011 -10.674 18.821 354 HB3 ASP 45 3HB ASP 45 10.248 -9.087 18.746 355 H GLY 46 H GLY 46 7.553 -10.808 15.670 356 HA2 GLY 46 2HA GLY 46 5.095 -9.972 16.541 357 HA3 GLY 46 3HA GLY 46 5.946 -8.448 16.281 358 H LYS 47 H LYS 47 4.687 -7.766 14.630 359 HA LYS 47 HA LYS 47 4.399 -9.404 12.175 360 HB2 LYS 47 2HB LYS 47 2.892 -6.976 13.198 361 HB3 LYS 47 3HB LYS 47 2.583 -7.744 11.643 362 HG2 LYS 47 2HG LYS 47 2.543 -9.575 14.040 363 HG3 LYS 47 3HG LYS 47 1.266 -8.373 13.984 364 HD2 LYS 47 2HD LYS 47 1.894 -10.172 11.631 365 HD3 LYS 47 3HD LYS 47 0.812 -10.688 12.924 366 HE2 LYS 47 2HE LYS 47 0.381 -8.062 11.469 367 HE3 LYS 47 3HE LYS 47 -0.185 -9.583 10.762 368 HZ1 LYS 47 3HZ LYS 47 -1.806 -8.300 12.267 369 HZ2 LYS 47 1HZ LYS 47 -1.667 -9.908 12.560 370 HZ3 LYS 47 2HZ LYS 47 -0.958 -8.835 13.537 371 H VAL 48 H VAL 48 5.052 -8.719 10.195 372 HA VAL 48 HA VAL 48 6.890 -6.367 10.098 373 HB VAL 48 HB VAL 48 8.215 -7.683 8.440 374 HG11 VAL 48 1HG1 VAL 48 8.917 -7.370 10.815 375 HG12 VAL 48 2HG1 VAL 48 8.060 -8.861 11.253 376 HG13 VAL 48 3HG1 VAL 48 9.460 -8.924 10.165 377 HG21 VAL 48 3HG2 VAL 48 6.703 -10.098 9.479 378 HG22 VAL 48 1HG2 VAL 48 6.656 -9.450 7.824 379 HG23 VAL 48 2HG2 VAL 48 8.158 -10.115 8.470 380 HA PRO 49 HA PRO 49 4.610 -5.300 6.394 381 HB2 PRO 49 2HB PRO 49 5.995 -3.137 5.523 382 HB3 PRO 49 3HB PRO 49 5.027 -3.103 7.022 383 HG2 PRO 49 2HG PRO 49 8.018 -3.505 6.741 384 HG3 PRO 49 3HG PRO 49 7.142 -2.450 7.891 385 HD2 PRO 49 2HD PRO 49 8.062 -4.978 8.530 386 HD3 PRO 49 3HD PRO 49 6.614 -4.245 9.283 387 H HIS 50 H HIS 50 4.634 -6.446 4.560 388 HA HIS 50 HA HIS 50 7.148 -6.697 2.938 389 HB2 HIS 50 2HB HIS 50 4.482 -8.136 2.924 390 HB3 HIS 50 3HB HIS 50 5.503 -8.113 1.493 391 HD2 HIS 50 HD2 HIS 50 6.763 -8.475 5.131 392 HE1 HIS 50 HE1 HIS 50 7.822 -12.050 3.067 393 HE2 HIS 50 HE2 HIS 50 8.055 -10.783 5.263 394 H TRP 51 H TRP 51 7.514 -4.751 2.027 395 HA TRP 51 HA TRP 51 5.360 -3.062 1.111 396 HB2 TRP 51 2HB TRP 51 8.378 -2.888 0.900 397 HB3 TRP 51 3HB TRP 51 7.277 -1.671 0.272 398 HD1 TRP 51 HD1 TRP 51 8.933 -2.729 3.445 399 HE1 TRP 51 HE1 TRP 51 8.274 -1.146 5.357 400 HE3 TRP 51 HE3 TRP 51 5.129 -0.210 1.127 401 HZ2 TRP 51 HZ2 TRP 51 6.275 0.876 5.854 402 HZ3 TRP 51 HZ3 TRP 51 3.807 1.489 2.370 403 HH2 TRP 51 HH2 TRP 51 4.380 2.050 4.720 404 H TYR 52 H TYR 52 4.833 -2.437 -0.909 405 HA TYR 52 HA TYR 52 6.297 -3.366 -3.250 406 HB2 TYR 52 2HB TYR 52 3.372 -3.703 -3.574 407 HB3 TYR 52 3HB TYR 52 4.752 -4.555 -4.273 408 HD1 TYR 52 HD1 TYR 52 2.964 -4.391 -0.916 409 HD2 TYR 52 HD2 TYR 52 4.900 -6.762 -3.941 410 HE1 TYR 52 HE1 TYR 52 2.357 -6.484 0.319 411 HE2 TYR 52 HE2 TYR 52 4.266 -8.840 -2.726 412 HH TYR 52 HH TYR 52 2.497 -8.777 0.369 413 H HIS 53 H HIS 53 5.603 -2.113 -5.181 414 HA HIS 53 HA HIS 53 4.971 0.677 -4.743 415 HB2 HIS 53 2HB HIS 53 4.536 -1.030 -7.231 416 HB3 HIS 53 3HB HIS 53 4.401 0.708 -7.170 417 HD2 HIS 53 HD2 HIS 53 6.616 2.164 -6.673 418 HE1 HIS 53 HE1 HIS 53 9.348 -0.761 -8.123 419 HE2 HIS 53 HE2 HIS 53 9.043 1.702 -7.553 420 H PHE 54 H PHE 54 2.949 1.835 -5.198 421 HA PHE 54 HA PHE 54 0.606 0.781 -4.077 422 HB2 PHE 54 2HB PHE 54 0.777 3.111 -4.364 423 HB3 PHE 54 3HB PHE 54 1.084 2.983 -6.091 424 HD1 PHE 54 HD1 PHE 54 -1.615 2.201 -3.544 425 HD2 PHE 54 HD2 PHE 54 -0.673 3.310 -7.610 426 HE1 PHE 54 HE1 PHE 54 -4.034 2.429 -4.053 427 HE2 PHE 54 HE2 PHE 54 -3.092 3.573 -8.089 428 HZ PHE 54 HZ PHE 54 -4.772 3.117 -6.318 429 H SER 55 H SER 55 1.590 0.701 -7.559 430 HA SER 55 HA SER 55 -0.843 -0.567 -8.485 431 HB2 SER 55 2HB SER 55 1.914 -0.349 -9.758 432 HB3 SER 55 3HB SER 55 0.432 -0.874 -10.579 433 HG SER 55 HG SER 55 1.060 1.439 -10.769 434 H CYS 56 HN CYS 56 2.399 -1.730 -7.507 435 HA CYS 56 HA CYS 56 2.099 -4.338 -8.435 436 HB2 CYS 56 2HB CYS 56 3.852 -3.146 -6.286 437 HB3 CYS 56 3HB CYS 56 3.956 -4.833 -6.772 438 H PHE 57 H PHE 57 1.161 -2.940 -5.297 439 HA PHE 57 HA PHE 57 0.457 -5.217 -3.798 440 HB2 PHE 57 2HB PHE 57 0.392 -2.953 -2.953 441 HB3 PHE 57 3HB PHE 57 -0.954 -2.544 -4.014 442 HD1 PHE 57 HD1 PHE 57 -3.185 -3.685 -3.710 443 HD2 PHE 57 HD2 PHE 57 0.011 -4.109 -0.854 444 HE1 PHE 57 HE1 PHE 57 -4.806 -4.519 -2.037 445 HE2 PHE 57 HE2 PHE 57 -1.629 -4.875 0.848 446 HZ PHE 57 HZ PHE 57 -4.035 -5.109 0.250 447 H TRP 58 H TRP 58 -1.641 -3.490 -6.175 448 HA TRP 58 HA TRP 58 -3.759 -5.449 -6.007 449 HB2 TRP 58 2HB TRP 58 -3.304 -3.415 -8.200 450 HB3 TRP 58 3HB TRP 58 -4.818 -4.180 -7.718 451 HD1 TRP 58 HD1 TRP 58 -2.665 -1.232 -7.062 452 HE1 TRP 58 HE1 TRP 58 -3.452 0.160 -5.074 453 HE3 TRP 58 HE3 TRP 58 -6.313 -4.366 -5.309 454 HZ2 TRP 58 HZ2 TRP 58 -5.484 -0.040 -2.976 455 HZ3 TRP 58 HZ3 TRP 58 -7.660 -3.729 -3.338 456 HH2 TRP 58 HH2 TRP 58 -7.240 -1.563 -2.174 457 H LYS 59 H LYS 59 -0.850 -5.234 -7.934 458 HA LYS 59 HA LYS 59 -1.565 -7.189 -9.969 459 HB2 LYS 59 2HB LYS 59 0.063 -5.242 -10.120 460 HB3 LYS 59 3HB LYS 59 1.138 -6.169 -9.064 461 HG2 LYS 59 2HG LYS 59 1.431 -7.877 -10.742 462 HG3 LYS 59 3HG LYS 59 0.162 -7.157 -11.753 463 HD2 LYS 59 2HD LYS 59 2.380 -6.554 -12.635 464 HD3 LYS 59 3HD LYS 59 1.514 -5.127 -12.057 465 HE2 LYS 59 2HE LYS 59 2.821 -5.483 -9.825 466 HE3 LYS 59 3HE LYS 59 3.850 -6.580 -10.737 467 HZ1 LYS 59 3HZ LYS 59 4.551 -4.754 -12.091 468 HZ2 LYS 59 1HZ LYS 59 3.348 -3.772 -11.560 469 HZ3 LYS 59 2HZ LYS 59 4.539 -4.173 -10.538 470 H VAL 60 H VAL 60 -0.364 -7.380 -6.673 471 HA VAL 60 HA VAL 60 0.353 -10.231 -6.836 472 HB VAL 60 HB VAL 60 -0.298 -8.462 -4.459 473 HG11 VAL 60 1HG1 VAL 60 0.937 -11.248 -4.496 474 HG12 VAL 60 2HG1 VAL 60 0.889 -10.164 -3.088 475 HG13 VAL 60 3HG1 VAL 60 -0.614 -10.795 -3.763 476 HG21 VAL 60 3HG2 VAL 60 1.815 -7.922 -5.813 477 HG22 VAL 60 1HG2 VAL 60 2.042 -8.286 -4.108 478 HG23 VAL 60 2HG2 VAL 60 2.415 -9.516 -5.333 479 H GLY 61 H GLY 61 -2.634 -8.499 -6.808 480 HA2 GLY 61 2HA GLY 61 -4.680 -9.452 -7.371 481 HA3 GLY 61 3HA GLY 61 -4.145 -11.033 -6.814 482 H HIS 62 H HIS 62 -3.605 -8.492 -4.510 483 HA HIS 62 HA HIS 62 -5.625 -9.543 -2.688 484 HB2 HIS 62 2HB HIS 62 -3.670 -7.235 -2.510 485 HB3 HIS 62 3HB HIS 62 -4.868 -7.566 -1.259 486 HD2 HIS 62 HD2 HIS 62 -1.539 -8.805 -2.569 487 HE1 HIS 62 HE1 HIS 62 -2.605 -11.480 0.576 488 HE2 HIS 62 HE2 HIS 62 -0.756 -10.804 -1.034 489 H SER 63 H SER 63 -7.350 -8.500 -1.790 490 HA SER 63 HA SER 63 -8.506 -6.098 -3.108 491 HB2 SER 63 2HB SER 63 -10.012 -8.684 -2.525 492 HB3 SER 63 3HB SER 63 -10.758 -7.142 -2.981 493 HG SER 63 HG SER 63 -8.921 -8.670 -4.540 494 H ILE 64 H ILE 64 -10.006 -4.962 -1.750 495 HA ILE 64 HA ILE 64 -9.667 -5.421 1.190 496 HB ILE 64 HB ILE 64 -9.219 -2.741 -0.160 497 HG12 ILE 64 2HG1 ILE 64 -7.097 -4.802 0.519 498 HG13 ILE 64 3HG1 ILE 64 -7.440 -4.077 -1.043 499 HG21 ILE 64 1HG2 ILE 64 -8.456 -3.770 2.593 500 HG22 ILE 64 2HG2 ILE 64 -8.212 -2.127 1.973 501 HG23 ILE 64 3HG2 ILE 64 -9.852 -2.728 2.238 502 HD11 ILE 64 3HD1 ILE 64 -5.512 -2.973 -0.338 503 HD12 ILE 64 1HD1 ILE 64 -6.795 -1.815 0.034 504 HD13 ILE 64 2HD1 ILE 64 -6.078 -2.815 1.323 505 H ARG 65 H ARG 65 -11.422 -4.857 2.395 506 HA ARG 65 HA ARG 65 -13.891 -4.043 0.869 507 HB2 ARG 65 2HB ARG 65 -15.096 -5.668 2.438 508 HB3 ARG 65 3HB ARG 65 -14.245 -6.306 1.053 509 HG2 ARG 65 2HG ARG 65 -12.825 -6.221 3.723 510 HG3 ARG 65 3HG ARG 65 -14.047 -7.444 3.445 511 HD2 ARG 65 2HD ARG 65 -12.762 -8.654 2.048 512 HD3 ARG 65 3HD ARG 65 -12.151 -7.236 1.190 513 HE ARG 65 HE ARG 65 -10.857 -7.132 3.658 514 HH11 ARG 65 1HH2 ARG 65 -10.869 -9.459 1.006 515 HH12 ARG 65 2HH2 ARG 65 -9.176 -9.804 1.256 516 HH21 ARG 65 1HH1 ARG 65 -8.906 -7.649 3.926 517 HH22 ARG 65 2HH1 ARG 65 -8.013 -8.647 2.771 518 H HIS 66 H HIS 66 -12.092 -3.572 3.778 519 HA HIS 66 HA HIS 66 -13.772 -1.200 4.252 520 HB2 HIS 66 2HB HIS 66 -13.780 -1.445 6.678 521 HB3 HIS 66 3HB HIS 66 -14.821 -2.554 5.819 522 HD2 HIS 66 HD2 HIS 66 -12.694 -4.975 5.351 523 HE1 HIS 66 HE1 HIS 66 -12.769 -5.184 9.581 524 HE2 HIS 66 HE2 HIS 66 -12.197 -6.444 7.456 525 HA PRO 67 HA PRO 67 -9.263 -0.907 3.733 526 HB2 PRO 67 2HB PRO 67 -9.164 1.404 2.145 527 HB3 PRO 67 3HB PRO 67 -9.414 -0.246 1.512 528 HG2 PRO 67 2HG PRO 67 -11.528 1.795 2.244 529 HG3 PRO 67 3HG PRO 67 -11.390 0.836 0.727 530 HD2 PRO 67 2HD PRO 67 -13.044 0.054 2.675 531 HD3 PRO 67 3HD PRO 67 -12.008 -1.170 1.874 532 H ASP 68 H ASP 68 -11.373 1.689 4.924 533 HA ASP 68 HA ASP 68 -9.211 3.283 5.993 534 HB2 ASP 68 2HB ASP 68 -11.439 4.210 5.525 535 HB3 ASP 68 3HB ASP 68 -12.182 3.082 6.655 536 H VAL 69 H VAL 69 -10.628 0.314 6.951 537 HA VAL 69 HA VAL 69 -9.570 0.431 9.720 538 HB VAL 69 HB VAL 69 -11.217 -1.761 8.417 539 HG11 VAL 69 1HG1 VAL 69 -10.665 -1.094 11.338 540 HG12 VAL 69 2HG1 VAL 69 -11.741 -2.382 10.751 541 HG13 VAL 69 3HG1 VAL 69 -10.008 -2.477 10.432 542 HG21 VAL 69 3HG2 VAL 69 -12.598 0.241 8.375 543 HG22 VAL 69 1HG2 VAL 69 -13.166 -0.827 9.655 544 HG23 VAL 69 2HG2 VAL 69 -12.191 0.603 10.072 545 H GLU 70 H GLU 70 -9.322 -1.370 6.660 546 HA GLU 70 HA GLU 70 -7.339 -3.250 7.768 547 HB2 GLU 70 2HB GLU 70 -8.404 -2.909 4.922 548 HB3 GLU 70 3HB GLU 70 -7.414 -4.255 5.499 549 HG2 GLU 70 2HG GLU 70 -9.200 -4.961 7.024 550 HG3 GLU 70 3HG GLU 70 -10.219 -3.634 6.470 551 H VAL 71 H VAL 71 -7.161 -0.408 5.700 552 HA VAL 71 HA VAL 71 -4.261 -0.870 5.133 553 HB VAL 71 HB VAL 71 -5.987 1.355 4.066 554 HG11 VAL 71 1HG1 VAL 71 -3.306 0.131 3.277 555 HG12 VAL 71 2HG1 VAL 71 -4.120 1.535 2.534 556 HG13 VAL 71 3HG1 VAL 71 -3.506 1.630 4.204 557 HG21 VAL 71 3HG2 VAL 71 -5.931 -0.007 1.961 558 HG22 VAL 71 1HG2 VAL 71 -5.219 -1.356 2.888 559 HG23 VAL 71 2HG2 VAL 71 -6.866 -0.799 3.239 560 H ASP 72 H ASP 72 -3.283 -0.594 6.977 561 HA ASP 72 HA ASP 72 -3.587 1.615 8.797 562 HB2 ASP 72 2HB ASP 72 -2.644 -0.599 9.252 563 HB3 ASP 72 3HB ASP 72 -1.303 -0.289 8.154 564 H GLY 73 H GLY 73 -2.456 3.578 8.873 565 HA2 GLY 73 2HA GLY 73 -1.085 5.337 8.202 566 HA3 GLY 73 3HA GLY 73 -0.433 4.342 6.902 567 H PHE 74 H PHE 74 -3.617 4.026 6.321 568 HA PHE 74 HA PHE 74 -3.896 5.827 4.140 569 HB2 PHE 74 2HB PHE 74 -5.179 3.763 4.464 570 HB3 PHE 74 3HB PHE 74 -5.890 4.385 5.945 571 HD1 PHE 74 HD2 PHE 74 -5.978 4.554 2.250 572 HD2 PHE 74 HD1 PHE 74 -7.777 5.896 5.935 573 HE1 PHE 74 HE2 PHE 74 -7.988 5.347 1.002 574 HE2 PHE 74 HE1 PHE 74 -9.764 6.697 4.671 575 HZ PHE 74 HZ PHE 74 -9.828 6.471 2.202 576 H SER 75 H SER 75 -4.449 6.399 7.578 577 HA SER 75 HA SER 75 -5.975 8.818 7.432 578 HB2 SER 75 2HB SER 75 -4.955 9.170 9.728 579 HB3 SER 75 3HB SER 75 -5.847 7.652 9.500 580 HG SER 75 HG SER 75 -3.809 7.348 10.554 581 H GLU 76 H GLU 76 -2.583 8.208 6.734 582 HA GLU 76 HA GLU 76 -1.812 11.022 7.147 583 HB2 GLU 76 2HB GLU 76 -0.142 8.693 6.129 584 HB3 GLU 76 3HB GLU 76 0.432 10.277 6.654 585 HG2 GLU 76 2HG GLU 76 -0.575 9.781 8.946 586 HG3 GLU 76 3HG GLU 76 -0.849 8.124 8.393 587 H LEU 77 H LEU 77 -3.111 9.230 4.569 588 HA LEU 77 HA LEU 77 -1.847 10.587 2.315 589 HB2 LEU 77 2HB LEU 77 -4.236 8.764 2.714 590 HB3 LEU 77 3HB LEU 77 -4.002 9.587 1.192 591 HG LEU 77 HG LEU 77 -2.008 8.441 0.690 592 HD11 LEU 77 1HD1 LEU 77 -2.005 7.202 3.450 593 HD12 LEU 77 2HD1 LEU 77 -0.929 6.768 2.100 594 HD13 LEU 77 3HD1 LEU 77 -0.827 8.372 2.814 595 HD21 LEU 77 3HD2 LEU 77 -4.132 7.223 0.351 596 HD22 LEU 77 1HD2 LEU 77 -2.776 6.127 0.650 597 HD23 LEU 77 2HD2 LEU 77 -3.947 6.467 1.942 598 H ARG 78 H ARG 78 -2.826 12.126 0.921 599 HA ARG 78 HA ARG 78 -4.738 14.011 2.156 600 HB2 ARG 78 2HB ARG 78 -3.354 13.943 -0.569 601 HB3 ARG 78 3HB ARG 78 -4.574 15.133 -0.172 602 HG2 ARG 78 2HG ARG 78 -1.975 14.771 1.377 603 HG3 ARG 78 3HG ARG 78 -2.293 16.000 0.145 604 HD2 ARG 78 2HD ARG 78 -4.235 16.821 1.522 605 HD3 ARG 78 3HD ARG 78 -3.780 15.714 2.804 606 HE ARG 78 HE ARG 78 -2.454 18.218 2.057 607 HH11 ARG 78 1HH2 ARG 78 -1.946 15.225 3.823 608 HH12 ARG 78 2HH2 ARG 78 -0.656 15.908 4.772 609 HH21 ARG 78 1HH1 ARG 78 -0.805 19.011 3.301 610 HH22 ARG 78 2HH1 ARG 78 -0.033 17.993 4.481 611 H TRP 79 H TRP 79 -6.603 14.747 0.997 612 HA TRP 79 HA TRP 79 -8.484 12.766 1.103 613 HB2 TRP 79 2HB TRP 79 -9.562 14.692 1.382 614 HB3 TRP 79 3HB TRP 79 -8.431 15.597 0.400 615 HD1 TRP 79 HD1 TRP 79 -11.814 13.884 0.175 616 HE1 TRP 79 HE1 TRP 79 -12.936 14.513 -2.052 617 HE3 TRP 79 HE3 TRP 79 -7.880 16.257 -2.048 618 HZ2 TRP 79 HZ2 TRP 79 -12.185 15.831 -4.525 619 HZ3 TRP 79 HZ3 TRP 79 -8.085 17.180 -4.344 620 HH2 TRP 79 HH2 TRP 79 -10.234 16.976 -5.593 621 H ASP 80 H ASP 80 -6.933 13.923 -1.916 622 HA ASP 80 HA ASP 80 -8.615 12.467 -3.707 623 HB2 ASP 80 2HB ASP 80 -7.216 14.420 -4.311 624 HB3 ASP 80 3HB ASP 80 -5.763 13.454 -4.068 625 H ASP 81 H ASP 81 -5.665 11.463 -1.989 626 HA ASP 81 HA ASP 81 -5.453 8.915 -3.457 627 HB2 ASP 81 2HB ASP 81 -3.927 10.119 -1.131 628 HB3 ASP 81 3HB ASP 81 -3.723 8.443 -1.652 629 H GLN 82 H GLN 82 -6.819 10.166 -0.399 630 HA GLN 82 HA GLN 82 -7.707 7.580 0.515 631 HB2 GLN 82 2HB GLN 82 -8.692 10.398 1.054 632 HB3 GLN 82 3HB GLN 82 -9.431 8.964 1.776 633 HG2 GLN 82 2HG GLN 82 -7.292 8.301 2.770 634 HG3 GLN 82 3HG GLN 82 -6.481 9.687 2.044 635 HE21 GLN 82 2HE2 GLN 82 -6.374 9.261 4.802 636 HE22 GLN 82 1HE2 GLN 82 -7.281 10.564 5.577 637 H GLN 83 H GLN 83 -9.093 9.868 -1.887 638 HA GLN 83 HA GLN 83 -11.486 8.251 -2.265 639 HB2 GLN 83 2HB GLN 83 -10.244 10.136 -4.303 640 HB3 GLN 83 3HB GLN 83 -11.862 9.466 -4.302 641 HG2 GLN 83 2HG GLN 83 -10.766 11.752 -2.735 642 HG3 GLN 83 3HG GLN 83 -12.257 11.616 -3.619 643 HE21 GLN 83 2HE2 GLN 83 -10.768 11.304 -0.517 644 HE22 GLN 83 1HE2 GLN 83 -12.222 10.800 0.360 645 H LYS 84 H LYS 84 -8.222 8.231 -3.797 646 HA LYS 84 HA LYS 84 -9.061 6.430 -5.909 647 HB2 LYS 84 2HB LYS 84 -7.532 8.270 -6.323 648 HB3 LYS 84 3HB LYS 84 -6.423 7.677 -5.096 649 HG2 LYS 84 2HG LYS 84 -6.887 5.546 -7.032 650 HG3 LYS 84 3HG LYS 84 -6.539 7.022 -7.909 651 HD2 LYS 84 2HD LYS 84 -4.853 6.158 -5.532 652 HD3 LYS 84 3HD LYS 84 -4.556 5.518 -7.162 653 HE2 LYS 84 2HE LYS 84 -4.142 7.685 -8.088 654 HE3 LYS 84 3HE LYS 84 -4.737 8.515 -6.647 655 HZ1 LYS 84 3HZ LYS 84 -2.248 8.365 -6.904 656 HZ2 LYS 84 1HZ LYS 84 -2.839 7.962 -5.453 657 HZ3 LYS 84 2HZ LYS 84 -2.349 6.776 -6.511 658 H VAL 85 H VAL 85 -7.220 6.098 -2.836 659 HA VAL 85 HA VAL 85 -6.607 3.295 -3.337 660 HB VAL 85 HB VAL 85 -6.749 4.902 -0.764 661 HG11 VAL 85 1HG1 VAL 85 -5.844 2.001 -1.069 662 HG12 VAL 85 2HG1 VAL 85 -5.543 3.019 0.349 663 HG13 VAL 85 3HG1 VAL 85 -7.198 2.599 -0.075 664 HG21 VAL 85 3HG2 VAL 85 -4.861 5.389 -2.358 665 HG22 VAL 85 1HG2 VAL 85 -4.331 4.760 -0.794 666 HG23 VAL 85 2HG2 VAL 85 -4.356 3.694 -2.207 667 H LYS 86 H LYS 86 -9.399 4.940 -1.762 668 HA LYS 86 HA LYS 86 -10.818 2.473 -1.199 669 HB2 LYS 86 2HB LYS 86 -11.805 5.333 -1.558 670 HB3 LYS 86 3HB LYS 86 -12.830 3.972 -1.089 671 HG2 LYS 86 2HG LYS 86 -11.391 3.577 0.912 672 HG3 LYS 86 3HG LYS 86 -10.393 4.947 0.474 673 HD2 LYS 86 2HD LYS 86 -11.897 5.731 2.148 674 HD3 LYS 86 3HD LYS 86 -12.484 6.408 0.619 675 HE2 LYS 86 2HE LYS 86 -14.143 4.499 0.519 676 HE3 LYS 86 3HE LYS 86 -13.526 3.940 2.084 677 HZ1 LYS 86 3HZ LYS 86 -14.258 6.058 3.051 678 HZ2 LYS 86 1HZ LYS 86 -14.825 6.574 1.606 679 HZ3 LYS 86 2HZ LYS 86 -15.523 5.302 2.351 680 H LYS 87 H LYS 87 -10.974 4.700 -4.027 681 HA LYS 87 HA LYS 87 -12.908 3.130 -5.476 682 HB2 LYS 87 2HB LYS 87 -12.387 5.474 -5.968 683 HB3 LYS 87 3HB LYS 87 -10.769 5.046 -6.518 684 HG2 LYS 87 2HG LYS 87 -13.176 3.755 -7.831 685 HG3 LYS 87 3HG LYS 87 -12.802 5.442 -8.180 686 HD2 LYS 87 2HD LYS 87 -10.564 4.853 -9.003 687 HD3 LYS 87 3HD LYS 87 -10.818 3.162 -8.583 688 HE2 LYS 87 2HE LYS 87 -11.170 3.343 -10.923 689 HE3 LYS 87 3HE LYS 87 -12.736 3.045 -10.167 690 HZ1 LYS 87 3HZ LYS 87 -13.226 5.425 -10.401 691 HZ2 LYS 87 1HZ LYS 87 -11.756 5.711 -11.063 692 HZ3 LYS 87 2HZ LYS 87 -12.849 4.799 -11.856 693 H THR 88 H THR 88 -9.343 2.985 -5.503 694 HA THR 88 HA THR 88 -9.152 0.931 -7.444 695 HB THR 88 HB THR 88 -7.123 1.679 -5.315 696 HG1 THR 88 1HG THR 88 -7.574 3.394 -6.563 697 HG21 THR 88 1HG2 THR 88 -6.895 0.305 -8.017 698 HG22 THR 88 2HG2 THR 88 -5.531 0.787 -6.982 699 HG23 THR 88 3HG2 THR 88 -6.639 -0.495 -6.457 700 H ALA 89 H ALA 89 -9.721 0.728 -3.942 701 HA ALA 89 HA ALA 89 -9.371 -2.130 -3.730 702 HB1 ALA 89 1HB ALA 89 -10.911 -0.116 -2.034 703 HB2 ALA 89 2HB ALA 89 -10.570 -1.787 -1.596 704 HB3 ALA 89 3HB ALA 89 -9.231 -0.630 -1.786 705 H GLU 90 H GLU 90 -12.162 0.022 -4.432 706 HA GLU 90 HA GLU 90 -14.025 -2.172 -4.676 707 HB2 GLU 90 2HB GLU 90 -14.157 0.693 -5.697 708 HB3 GLU 90 3HB GLU 90 -15.473 -0.477 -5.837 709 HG2 GLU 90 2HG GLU 90 -15.479 -0.740 -3.348 710 HG3 GLU 90 3HG GLU 90 -14.268 0.536 -3.231 711 H ALA 91 H ALA 91 -11.941 -0.487 -6.969 712 HA ALA 91 HA ALA 91 -12.963 -1.760 -9.345 713 HB1 ALA 91 1HB ALA 91 -10.417 -0.171 -8.793 714 HB2 ALA 91 2HB ALA 91 -11.098 -0.521 -10.396 715 HB3 ALA 91 3HB ALA 91 -11.984 0.514 -9.254 716 H GLY 92 H GLY 92 -10.562 -2.755 -7.005 717 HA2 GLY 92 2HA GLY 92 -9.355 -4.718 -6.830 718 HA3 GLY 92 3HA GLY 92 -10.038 -5.294 -8.355 719 H GLY 93 H GLY 93 -8.258 -2.234 -7.887 720 HA2 GLY 93 2HA GLY 93 -5.900 -1.938 -8.403 721 HA3 GLY 93 3HA GLY 93 -5.997 -3.216 -9.604 722 H VAL 94 H VAL 94 -5.123 -0.460 -9.787 723 HA VAL 94 HA VAL 94 -6.792 0.470 -12.095 724 HB VAL 94 HB VAL 94 -7.192 1.789 -10.013 725 HG11 VAL 94 1HG1 VAL 94 -5.560 3.394 -9.223 726 HG12 VAL 94 2HG1 VAL 94 -4.853 1.778 -9.109 727 HG13 VAL 94 3HG1 VAL 94 -4.367 2.870 -10.424 728 HG21 VAL 94 3HG2 VAL 94 -5.958 3.394 -12.280 729 HG22 VAL 94 1HG2 VAL 94 -7.606 2.725 -12.260 730 HG23 VAL 94 2HG2 VAL 94 -7.136 3.960 -11.079 731 H THR 95 H THR 95 -3.548 0.211 -10.760 732 HA THR 95 HA THR 95 -1.488 0.282 -11.616 733 HB THR 95 HB THR 95 -0.991 -0.575 -13.725 734 HG1 THR 95 1HG THR 95 -3.570 0.292 -14.432 735 HG21 THR 95 1HG2 THR 95 -2.130 -2.164 -12.174 736 HG22 THR 95 2HG2 THR 95 -3.671 -1.821 -12.991 737 HG23 THR 95 3HG2 THR 95 -2.334 -2.570 -13.889 738 H GLY 96 H GLY 96 -0.081 1.279 -13.644 739 HA2 GLY 96 2HA GLY 96 -0.787 4.061 -14.209 740 HA3 GLY 96 3HA GLY 96 0.490 3.865 -13.008 741 H LYS 97 H LYS 97 1.453 5.196 -14.889 742 HA LYS 97 HA LYS 97 2.849 3.436 -16.876 743 HB2 LYS 97 2HB LYS 97 1.628 6.189 -17.353 744 HB3 LYS 97 3HB LYS 97 2.669 5.331 -18.494 745 HG2 LYS 97 2HG LYS 97 1.026 3.460 -18.592 746 HG3 LYS 97 3HG LYS 97 -0.055 4.369 -17.516 747 HD2 LYS 97 2HD LYS 97 -0.162 6.214 -19.170 748 HD3 LYS 97 3HD LYS 97 0.909 5.300 -20.256 749 HE2 LYS 97 2HE LYS 97 -0.754 3.453 -20.334 750 HE3 LYS 97 3HE LYS 97 -1.820 4.363 -19.256 751 HZ1 LYS 97 3HZ LYS 97 -2.452 4.660 -21.581 752 HZ2 LYS 97 1HZ LYS 97 -1.968 6.093 -20.971 753 HZ3 LYS 97 2HZ LYS 97 -0.982 5.251 -21.967 754 H GLY 98 H GLY 98 4.810 4.298 -17.756 755 HA2 GLY 98 2HA GLY 98 6.858 5.433 -17.684 756 HA3 GLY 98 3HA GLY 98 6.303 6.381 -16.310 757 H GLN 99 H GLN 99 8.653 5.857 -15.783 758 HA GLN 99 HA GLN 99 9.184 3.182 -14.680 759 HB2 GLN 99 2HB GLN 99 10.926 4.388 -15.939 760 HB3 GLN 99 3HB GLN 99 10.861 5.716 -14.785 761 HG2 GLN 99 2HG GLN 99 12.800 4.358 -14.316 762 HG3 GLN 99 3HG GLN 99 11.674 4.216 -12.980 763 HE21 GLN 99 2HE2 GLN 99 12.951 2.231 -12.440 764 HE22 GLN 99 1HE2 GLN 99 12.609 0.754 -13.334 765 H ASP 100 H ASP 100 8.878 2.599 -12.628 766 HA ASP 100 HA ASP 100 8.658 4.677 -10.466 767 HB2 ASP 100 2HB ASP 100 7.126 2.075 -10.816 768 HB3 ASP 100 3HB ASP 100 7.082 3.072 -9.368 769 H GLY 101 H GLY 101 10.580 2.048 -11.483 770 HA2 GLY 101 2HA GLY 101 11.212 1.088 -8.743 771 HA3 GLY 101 3HA GLY 101 11.705 0.342 -10.259 772 H ILE 102 H ILE 102 13.239 1.258 -7.840 773 HA ILE 102 HA ILE 102 15.371 2.657 -9.349 774 HB ILE 102 HB ILE 102 14.080 4.280 -8.036 775 HG12 ILE 102 2HG1 ILE 102 15.877 5.483 -6.953 776 HG13 ILE 102 3HG1 ILE 102 16.888 4.046 -6.863 777 HG21 ILE 102 1HG2 ILE 102 14.268 4.389 -5.577 778 HG22 ILE 102 2HG2 ILE 102 13.427 2.931 -6.093 779 HG23 ILE 102 3HG2 ILE 102 15.120 2.846 -5.558 780 HD11 ILE 102 3HD1 ILE 102 17.111 4.017 -9.310 781 HD12 ILE 102 1HD1 ILE 102 15.954 5.363 -9.452 782 HD13 ILE 102 2HD1 ILE 102 17.538 5.615 -8.682 783 H GLY 103 H GLY 103 17.536 2.453 -8.426 784 HA2 GLY 103 2HA GLY 103 18.062 -0.357 -7.886 785 HA3 GLY 103 3HA GLY 103 19.229 0.900 -8.285 786 H SER 104 H SER 104 17.437 1.977 -5.587 787 HA SER 104 HA SER 104 19.726 1.823 -3.904 788 HB2 SER 104 2HB SER 104 18.248 2.817 -2.170 789 HB3 SER 104 3HB SER 104 18.253 3.679 -3.718 790 HG SER 104 HG SER 104 16.145 3.365 -2.849 791 H LYS 105 H LYS 105 17.542 -0.638 -4.499 792 HA LYS 105 HA LYS 105 17.585 -2.181 -2.088 793 HB2 LYS 105 2HB LYS 105 17.159 -4.076 -3.533 794 HB3 LYS 105 3HB LYS 105 16.213 -2.706 -4.087 795 HG2 LYS 105 2HG LYS 105 18.121 -2.294 -5.815 796 HG3 LYS 105 3HG LYS 105 18.724 -3.890 -5.338 797 HD2 LYS 105 2HD LYS 105 16.424 -4.816 -5.928 798 HD3 LYS 105 3HD LYS 105 16.024 -3.205 -6.567 799 HE2 LYS 105 2HE LYS 105 18.049 -3.391 -8.087 800 HE3 LYS 105 3HE LYS 105 18.279 -5.039 -7.487 801 HZ1 LYS 105 3HZ LYS 105 16.027 -4.012 -9.128 802 HZ2 LYS 105 1HZ LYS 105 17.033 -5.249 -9.463 803 HZ3 LYS 105 2HZ LYS 105 15.890 -5.409 -8.289 804 H ALA 106 H ALA 106 20.149 -1.377 -4.293 805 HA ALA 106 HA ALA 106 22.092 -2.905 -2.647 806 HB1 ALA 106 1HB ALA 106 23.265 -3.609 -4.695 807 HB2 ALA 106 2HB ALA 106 21.600 -4.213 -4.700 808 HB3 ALA 106 3HB ALA 106 22.035 -2.806 -5.697 809 H GLU 107 H GLU 107 21.470 -0.268 -2.172 810 HA GLU 107 HA GLU 107 23.080 1.573 -3.622 811 HB2 GLU 107 2HB GLU 107 21.046 2.010 -2.133 812 HB3 GLU 107 3HB GLU 107 22.127 1.889 -0.747 813 HG2 GLU 107 2HG GLU 107 23.458 3.798 -1.670 814 HG3 GLU 107 3HG GLU 107 22.357 3.883 -3.051 815 H LYS 108 H LYS 108 23.861 -0.440 -0.850 816 HA LYS 108 HA LYS 108 26.719 0.298 -0.985 817 HB2 LYS 108 2HB LYS 108 25.666 1.805 0.713 818 HB3 LYS 108 3HB LYS 108 25.134 0.383 1.621 819 HG2 LYS 108 2HG LYS 108 27.493 -0.297 1.957 820 HG3 LYS 108 3HG LYS 108 28.038 1.074 0.970 821 HD2 LYS 108 2HD LYS 108 27.042 2.649 2.610 822 HD3 LYS 108 3HD LYS 108 26.496 1.274 3.597 823 HE2 LYS 108 2HE LYS 108 28.851 0.534 3.866 824 HE3 LYS 108 3HE LYS 108 29.398 1.892 2.875 825 HZ1 LYS 108 3HZ LYS 108 27.992 2.147 5.482 826 HZ2 LYS 108 1HZ LYS 108 29.586 2.394 5.242 827 HZ3 LYS 108 2HZ LYS 108 28.498 3.402 4.564 Start of MODEL 20 1 H1 MET 1 H1 MET 1 2.844 -6.755 22.889 2 H2 MET 1 H2 MET 1 4.301 -7.106 22.239 3 H3 MET 1 H3 MET 1 3.723 -8.014 23.471 4 HA MET 1 HA MET 1 3.507 -9.209 21.395 5 HB2 MET 1 2HB MET 1 0.817 -8.283 22.510 6 HB3 MET 1 3HB MET 1 1.053 -9.652 21.424 7 HG2 MET 1 2HG MET 1 2.121 -9.406 24.257 8 HG3 MET 1 3HG MET 1 0.809 -10.431 23.693 9 HE1 MET 1 1HE MET 1 3.176 -11.493 25.498 10 HE2 MET 1 2HE MET 1 1.846 -12.514 24.904 11 HE3 MET 1 3HE MET 1 3.530 -13.043 24.703 12 H ALA 2 H ALA 2 2.580 -9.369 19.271 13 HA ALA 2 HA ALA 2 1.429 -6.932 18.065 14 HB1 ALA 2 1HB ALA 2 3.856 -6.706 17.686 15 HB2 ALA 2 2HB ALA 2 3.907 -8.333 16.966 16 HB3 ALA 2 3HB ALA 2 3.002 -7.027 16.167 17 H GLU 3 H GLU 3 0.094 -7.324 16.343 18 HA GLU 3 HA GLU 3 -0.348 -10.120 15.357 19 HB2 GLU 3 2HB GLU 3 -2.501 -8.405 16.655 20 HB3 GLU 3 3HB GLU 3 -2.800 -9.849 15.683 21 HG2 GLU 3 2HG GLU 3 -1.449 -11.193 17.305 22 HG3 GLU 3 3HG GLU 3 -1.277 -9.755 18.318 23 H SER 4 H SER 4 -1.802 -6.880 15.130 24 HA SER 4 HA SER 4 -1.402 -6.844 12.186 25 HB2 SER 4 2HB SER 4 -3.613 -7.855 12.830 26 HB3 SER 4 3HB SER 4 -4.076 -6.283 13.504 27 HG SER 4 HG SER 4 -4.732 -6.659 11.289 28 H SER 5 H SER 5 0.139 -5.656 13.954 29 HA SER 5 HA SER 5 -0.779 -3.188 15.061 30 HB2 SER 5 2HB SER 5 1.990 -4.432 14.954 31 HB3 SER 5 3HB SER 5 1.440 -3.199 16.110 32 HG SER 5 HG SER 5 0.032 -4.686 17.002 33 H ASP 6 H ASP 6 0.663 -3.851 12.065 34 HA ASP 6 HA ASP 6 0.737 -0.932 11.541 35 HB2 ASP 6 2HB ASP 6 3.038 -2.062 11.486 36 HB3 ASP 6 3HB ASP 6 2.465 -2.944 10.076 37 H LYS 7 H LYS 7 -1.220 -3.191 11.490 38 HA LYS 7 HA LYS 7 -2.867 -4.164 10.552 39 HB2 LYS 7 2HB LYS 7 -2.923 -1.682 8.851 40 HB3 LYS 7 3HB LYS 7 -4.210 -2.885 8.858 41 HG2 LYS 7 2HG LYS 7 -3.257 -1.478 11.387 42 HG3 LYS 7 3HG LYS 7 -4.592 -0.894 10.382 43 HD2 LYS 7 2HD LYS 7 -5.995 -2.566 10.867 44 HD3 LYS 7 3HD LYS 7 -4.728 -3.724 11.329 45 HE2 LYS 7 2HE LYS 7 -4.219 -2.516 13.361 46 HE3 LYS 7 3HE LYS 7 -5.376 -1.235 12.947 47 HZ1 LYS 7 3HZ LYS 7 -6.331 -2.825 14.519 48 HZ2 LYS 7 1HZ LYS 7 -7.162 -2.888 13.116 49 HZ3 LYS 7 2HZ LYS 7 -6.092 -4.069 13.492 50 H LEU 8 H LEU 8 -3.848 -5.373 9.107 51 HA LEU 8 HA LEU 8 -2.178 -7.111 7.650 52 HB2 LEU 8 2HB LEU 8 -4.197 -8.094 6.806 53 HB3 LEU 8 3HB LEU 8 -4.292 -7.847 8.536 54 HG LEU 8 HG LEU 8 -5.563 -5.863 6.607 55 HD11 LEU 8 1HD1 LEU 8 -6.823 -8.393 7.751 56 HD12 LEU 8 2HD1 LEU 8 -7.657 -7.144 6.793 57 HD13 LEU 8 3HD1 LEU 8 -6.396 -8.128 6.045 58 HD21 LEU 8 3HD2 LEU 8 -5.578 -5.038 8.872 59 HD22 LEU 8 1HD2 LEU 8 -7.193 -5.625 8.525 60 HD23 LEU 8 2HD2 LEU 8 -6.108 -6.624 9.500 61 H TYR 9 H TYR 9 -3.528 -4.059 6.714 62 HA TYR 9 HA TYR 9 -2.089 -4.256 4.181 63 HB2 TYR 9 2HB TYR 9 -4.802 -2.941 4.276 64 HB3 TYR 9 3HB TYR 9 -3.780 -3.211 2.872 65 HD1 TYR 9 HD1 TYR 9 -3.204 -5.889 2.526 66 HD2 TYR 9 HD2 TYR 9 -6.660 -4.278 4.510 67 HE1 TYR 9 HE1 TYR 9 -4.446 -7.992 2.050 68 HE2 TYR 9 HE2 TYR 9 -7.915 -6.384 4.050 69 HH TYR 9 HH TYR 9 -6.418 -9.137 2.306 70 H ARG 10 H ARG 10 -1.341 -2.177 3.531 71 HA ARG 10 HA ARG 10 -1.445 0.050 5.518 72 HB2 ARG 10 2HB ARG 10 0.320 -1.427 6.294 73 HB3 ARG 10 3HB ARG 10 0.938 -1.617 4.672 74 HG2 ARG 10 2HG ARG 10 2.423 -0.225 5.935 75 HG3 ARG 10 3HG ARG 10 1.722 0.739 4.651 76 HD2 ARG 10 2HD ARG 10 0.697 2.160 6.084 77 HD3 ARG 10 3HD ARG 10 0.101 0.849 7.115 78 HE ARG 10 HE ARG 10 2.234 0.748 8.241 79 HH11 ARG 10 1HH2 ARG 10 1.951 3.649 6.284 80 HH12 ARG 10 2HH2 ARG 10 3.491 4.237 6.854 81 HH21 ARG 10 1HH1 ARG 10 3.666 1.767 9.323 82 HH22 ARG 10 2HH1 ARG 10 4.310 3.329 8.798 83 H VAL 11 H VAL 11 -0.947 2.057 4.659 84 HA VAL 11 HA VAL 11 0.232 2.205 1.943 85 HB VAL 11 HB VAL 11 -2.317 2.230 1.882 86 HG11 VAL 11 1HG1 VAL 11 -2.017 5.110 2.839 87 HG12 VAL 11 2HG1 VAL 11 -3.507 4.241 2.400 88 HG13 VAL 11 3HG1 VAL 11 -2.593 3.786 3.850 89 HG21 VAL 11 3HG2 VAL 11 -0.980 4.736 0.735 90 HG22 VAL 11 1HG2 VAL 11 -0.757 3.137 0.044 91 HG23 VAL 11 2HG2 VAL 11 -2.374 3.845 0.078 92 H GLU 12 H GLU 12 1.400 4.140 1.536 93 HA GLU 12 HA GLU 12 1.057 6.478 3.112 94 HB2 GLU 12 2HB GLU 12 3.196 6.719 4.180 95 HB3 GLU 12 3HB GLU 12 2.465 5.228 4.755 96 HG2 GLU 12 2HG GLU 12 3.907 3.916 3.249 97 HG3 GLU 12 3HG GLU 12 4.640 5.387 2.632 98 H TYR 13 H TYR 13 2.348 8.284 2.297 99 HA TYR 13 HA TYR 13 3.868 7.842 -0.216 100 HB2 TYR 13 2HB TYR 13 3.294 10.274 1.471 101 HB3 TYR 13 3HB TYR 13 4.663 10.244 0.372 102 HD1 TYR 13 HD1 TYR 13 0.963 9.672 0.445 103 HD2 TYR 13 HD2 TYR 13 4.411 10.675 -1.932 104 HE1 TYR 13 HE1 TYR 13 -0.534 10.291 -1.445 105 HE2 TYR 13 HE2 TYR 13 2.926 11.262 -3.841 106 HH TYR 13 HH TYR 13 -0.643 11.138 -3.610 107 H ALA 14 H ALA 14 5.911 7.288 -0.256 108 HA ALA 14 HA ALA 14 7.114 6.046 1.881 109 HB1 ALA 14 1HB ALA 14 8.289 7.125 -0.711 110 HB2 ALA 14 2HB ALA 14 9.113 5.956 0.329 111 HB3 ALA 14 3HB ALA 14 7.574 5.526 -0.456 112 H LYS 15 H LYS 15 7.925 6.808 3.710 113 HA LYS 15 HA LYS 15 8.899 9.471 4.136 114 HB2 LYS 15 2HB LYS 15 9.408 6.971 5.804 115 HB3 LYS 15 3HB LYS 15 9.572 8.638 6.348 116 HG2 LYS 15 2HG LYS 15 6.975 7.248 5.559 117 HG3 LYS 15 3HG LYS 15 7.521 7.630 7.189 118 HD2 LYS 15 2HD LYS 15 7.417 10.064 6.646 119 HD3 LYS 15 3HD LYS 15 6.795 9.660 5.026 120 HE2 LYS 15 2HE LYS 15 4.864 8.510 6.019 121 HE3 LYS 15 3HE LYS 15 5.483 8.821 7.646 122 HZ1 LYS 15 3HZ LYS 15 3.801 10.450 7.059 123 HZ2 LYS 15 1HZ LYS 15 5.237 11.210 7.208 124 HZ3 LYS 15 2HZ LYS 15 4.623 10.912 5.719 125 H SER 16 H SER 16 10.600 6.547 3.216 126 HA SER 16 HA SER 16 12.867 8.139 2.325 127 HB2 SER 16 2HB SER 16 13.426 7.518 4.734 128 HB3 SER 16 3HB SER 16 13.505 5.826 4.187 129 HG SER 16 HG SER 16 15.538 7.034 4.126 130 H GLY 17 H GLY 17 14.226 7.022 0.863 131 HA2 GLY 17 2HA GLY 17 12.825 5.056 -0.798 132 HA3 GLY 17 3HA GLY 17 14.335 5.889 -1.179 133 H ARG 18 H ARG 18 13.230 3.658 1.387 134 HA ARG 18 HA ARG 18 15.656 1.924 0.962 135 HB2 ARG 18 2HB ARG 18 14.433 2.840 3.600 136 HB3 ARG 18 3HB ARG 18 15.804 1.745 3.440 137 HG2 ARG 18 2HG ARG 18 15.780 4.658 2.538 138 HG3 ARG 18 3HG ARG 18 16.489 4.041 4.028 139 HD2 ARG 18 2HD ARG 18 18.092 2.690 2.775 140 HD3 ARG 18 3HD ARG 18 17.378 3.177 1.241 141 HE ARG 18 HE ARG 18 19.035 4.835 3.053 142 HH11 ARG 18 1HH2 ARG 18 17.230 4.784 0.019 143 HH12 ARG 18 2HH2 ARG 18 18.043 6.216 -0.557 144 HH21 ARG 18 1HH1 ARG 18 19.980 6.656 2.238 145 HH22 ARG 18 2HH1 ARG 18 19.531 7.249 0.666 146 H ALA 19 H ALA 19 12.412 1.775 0.712 147 HA ALA 19 HA ALA 19 12.122 -0.983 1.762 148 HB1 ALA 19 1HB ALA 19 10.115 0.840 0.383 149 HB2 ALA 19 2HB ALA 19 9.780 -0.737 1.118 150 HB3 ALA 19 3HB ALA 19 10.282 0.618 2.142 151 H SER 20 H SER 20 11.499 -2.730 0.362 152 HA SER 20 HA SER 20 12.380 -2.447 -2.470 153 HB2 SER 20 2HB SER 20 13.279 -4.707 -2.376 154 HB3 SER 20 3HB SER 20 14.144 -3.562 -1.343 155 HG SER 20 HG SER 20 13.822 -5.463 -0.206 156 H CYS 21 HN CYS 21 11.057 -3.178 -3.961 157 HA CYS 21 HA CYS 21 8.332 -3.734 -3.150 158 HB2 CYS 21 2HB CYS 21 9.026 -2.284 -5.030 159 HB3 CYS 21 3HB CYS 21 9.623 -3.718 -5.886 160 H LYS 22 H LYS 22 7.576 -5.650 -2.581 161 HA LYS 22 HA LYS 22 9.090 -8.069 -3.055 162 HB2 LYS 22 2HB LYS 22 6.326 -8.012 -1.835 163 HB3 LYS 22 3HB LYS 22 7.621 -9.159 -1.539 164 HG2 LYS 22 2HG LYS 22 7.541 -6.262 -0.684 165 HG3 LYS 22 3HG LYS 22 7.202 -7.639 0.337 166 HD2 LYS 22 2HD LYS 22 9.500 -8.436 0.186 167 HD3 LYS 22 3HD LYS 22 9.901 -7.142 -0.982 168 HE2 LYS 22 2HE LYS 22 9.130 -5.483 0.777 169 HE3 LYS 22 3HE LYS 22 9.053 -6.840 1.921 170 HZ1 LYS 22 3HZ LYS 22 11.462 -7.204 1.431 171 HZ2 LYS 22 1HZ LYS 22 11.478 -5.856 0.495 172 HZ3 LYS 22 2HZ LYS 22 11.195 -5.736 2.094 173 H LYS 23 H LYS 23 7.057 -6.638 -5.188 174 HA LYS 23 HA LYS 23 6.143 -9.228 -6.400 175 HB2 LYS 23 2HB LYS 23 4.302 -7.790 -5.762 176 HB3 LYS 23 3HB LYS 23 4.999 -6.436 -6.651 177 HG2 LYS 23 2HG LYS 23 3.124 -7.397 -7.848 178 HG3 LYS 23 3HG LYS 23 4.607 -7.600 -8.781 179 HD2 LYS 23 2HD LYS 23 4.743 -9.971 -8.117 180 HD3 LYS 23 3HD LYS 23 3.337 -9.778 -7.050 181 HE2 LYS 23 2HE LYS 23 1.925 -9.202 -8.995 182 HE3 LYS 23 3HE LYS 23 3.326 -9.322 -10.068 183 HZ1 LYS 23 3HZ LYS 23 3.486 -11.682 -9.517 184 HZ2 LYS 23 1HZ LYS 23 2.215 -11.590 -8.494 185 HZ3 LYS 23 2HZ LYS 23 1.995 -11.361 -10.094 186 H CYS 24 HN CYS 24 7.424 -5.999 -7.424 187 HA CYS 24 HA CYS 24 8.313 -7.304 -9.933 188 HB2 CYS 24 2HB CYS 24 8.426 -5.263 -10.968 189 HB3 CYS 24 3HB CYS 24 6.920 -5.260 -10.054 190 H SER 25 H SER 25 9.707 -6.811 -6.981 191 HA SER 25 HA SER 25 11.760 -7.014 -6.147 192 HB2 SER 25 2HB SER 25 12.552 -8.187 -8.819 193 HB3 SER 25 3HB SER 25 13.432 -8.344 -7.290 194 HG SER 25 HG SER 25 12.078 -10.155 -7.710 195 H GLU 26 H GLU 26 11.130 -4.497 -7.673 196 HA GLU 26 HA GLU 26 13.861 -3.333 -7.954 197 HB2 GLU 26 2HB GLU 26 11.101 -2.124 -8.334 198 HB3 GLU 26 3HB GLU 26 12.619 -1.280 -8.609 199 HG2 GLU 26 2HG GLU 26 11.754 -3.738 -10.189 200 HG3 GLU 26 3HG GLU 26 11.473 -2.076 -10.676 201 H SER 27 H SER 27 13.634 -0.872 -6.872 202 HA SER 27 HA SER 27 12.732 -1.239 -4.055 203 HB2 SER 27 2HB SER 27 15.104 0.378 -4.945 204 HB3 SER 27 3HB SER 27 14.398 0.313 -3.307 205 HG SER 27 HG SER 27 15.272 -1.571 -2.963 206 H ILE 28 H ILE 28 11.898 0.542 -2.985 207 HA ILE 28 HA ILE 28 10.204 2.049 -4.870 208 HB ILE 28 HB ILE 28 9.817 1.564 -1.910 209 HG12 ILE 28 2HG1 ILE 28 8.545 0.021 -4.211 210 HG13 ILE 28 3HG1 ILE 28 9.879 -0.594 -3.229 211 HG21 ILE 28 1HG2 ILE 28 7.895 2.488 -4.107 212 HG22 ILE 28 2HG2 ILE 28 7.484 2.199 -2.415 213 HG23 ILE 28 3HG2 ILE 28 8.565 3.520 -2.826 214 HD11 ILE 28 3HD1 ILE 28 7.879 -1.545 -2.385 215 HD12 ILE 28 1HD1 ILE 28 8.500 -0.402 -1.185 216 HD13 ILE 28 2HD1 ILE 28 7.102 0.033 -2.196 217 HA PRO 29 HA PRO 29 12.706 5.576 -3.676 218 HB2 PRO 29 2HB PRO 29 11.713 7.499 -5.325 219 HB3 PRO 29 3HB PRO 29 12.639 6.090 -5.926 220 HG2 PRO 29 2HG PRO 29 9.626 6.415 -5.800 221 HG3 PRO 29 3HG PRO 29 10.620 5.888 -7.195 222 HD2 PRO 29 2HD PRO 29 9.380 4.112 -5.525 223 HD3 PRO 29 3HD PRO 29 10.975 3.760 -6.253 224 H LYS 30 H LYS 30 12.626 7.617 -2.642 225 HA LYS 30 HA LYS 30 10.653 7.964 -0.587 226 HB2 LYS 30 2HB LYS 30 13.072 8.627 -0.479 227 HB3 LYS 30 3HB LYS 30 12.748 9.920 -1.633 228 HG2 LYS 30 2HG LYS 30 11.218 10.990 -0.051 229 HG3 LYS 30 3HG LYS 30 11.403 9.654 1.094 230 HD2 LYS 30 2HD LYS 30 13.777 10.192 1.384 231 HD3 LYS 30 3HD LYS 30 13.684 11.471 0.166 232 HE2 LYS 30 2HE LYS 30 11.984 11.441 2.701 233 HE3 LYS 30 3HE LYS 30 13.586 12.180 2.634 234 HZ1 LYS 30 3HZ LYS 30 11.827 13.809 2.220 235 HZ2 LYS 30 1HZ LYS 30 12.786 13.678 0.908 236 HZ3 LYS 30 2HZ LYS 30 11.299 13.005 0.901 237 H ASP 31 H ASP 31 9.105 9.561 -0.270 238 HA ASP 31 HA ASP 31 7.233 10.676 -0.830 239 HB2 ASP 31 2HB ASP 31 9.226 12.263 -2.467 240 HB3 ASP 31 3HB ASP 31 7.561 12.769 -2.197 241 H SER 32 H SER 32 7.408 8.280 -2.192 242 HA SER 32 HA SER 32 5.531 8.824 -4.430 243 HB2 SER 32 2HB SER 32 7.749 8.010 -5.294 244 HB3 SER 32 3HB SER 32 7.501 6.512 -4.368 245 HG SER 32 HG SER 32 6.753 6.417 -6.589 246 H LEU 33 H LEU 33 3.950 7.050 -4.682 247 HA LEU 33 HA LEU 33 2.923 6.485 -2.007 248 HB2 LEU 33 2HB LEU 33 1.546 7.543 -3.801 249 HB3 LEU 33 3HB LEU 33 1.689 6.062 -4.752 250 HG LEU 33 HG LEU 33 0.541 4.827 -2.860 251 HD11 LEU 33 1HD1 LEU 33 -0.005 7.642 -1.847 252 HD12 LEU 33 2HD1 LEU 33 -0.810 6.163 -1.285 253 HD13 LEU 33 3HD1 LEU 33 0.919 6.386 -0.999 254 HD21 LEU 33 3HD2 LEU 33 -1.001 7.161 -4.049 255 HD22 LEU 33 1HD2 LEU 33 -0.660 5.623 -4.884 256 HD23 LEU 33 2HD2 LEU 33 -1.695 5.634 -3.441 257 H ARG 34 H ARG 34 2.893 4.584 -0.993 258 HA ARG 34 HA ARG 34 3.356 2.046 -2.458 259 HB2 ARG 34 2HB ARG 34 5.156 1.387 -0.996 260 HB3 ARG 34 3HB ARG 34 5.539 2.861 -1.885 261 HG2 ARG 34 2HG ARG 34 5.271 4.227 0.118 262 HG3 ARG 34 3HG ARG 34 4.705 2.823 1.042 263 HD2 ARG 34 2HD ARG 34 6.888 1.678 0.603 264 HD3 ARG 34 3HD ARG 34 7.432 3.109 -0.284 265 HE ARG 34 HE ARG 34 6.629 3.515 2.545 266 HH11 ARG 34 1HH2 ARG 34 9.366 3.151 0.363 267 HH12 ARG 34 2HH2 ARG 34 10.448 3.883 1.520 268 HH21 ARG 34 1HH1 ARG 34 8.043 4.269 3.929 269 HH22 ARG 34 2HH1 ARG 34 9.781 4.148 3.624 270 H MET 35 H MET 35 2.912 0.165 -1.304 271 HA MET 35 HA MET 35 1.078 0.439 0.994 272 HB2 MET 35 2HB MET 35 0.493 -0.959 -1.644 273 HB3 MET 35 3HB MET 35 -0.351 -1.371 -0.142 274 HG2 MET 35 2HG MET 35 -1.040 0.994 0.093 275 HG3 MET 35 3HG MET 35 -0.305 1.353 -1.473 276 HE1 MET 35 3HE MET 35 -4.182 -1.051 -0.662 277 HE2 MET 35 1HE MET 35 -2.598 -1.823 -0.383 278 HE3 MET 35 2HE MET 35 -3.073 -0.378 0.552 279 H ALA 36 H ALA 36 0.812 -1.470 2.280 280 HA ALA 36 HA ALA 36 2.913 -3.506 1.883 281 HB1 ALA 36 1HB ALA 36 3.172 -1.365 3.771 282 HB2 ALA 36 2HB ALA 36 2.988 -2.877 4.670 283 HB3 ALA 36 3HB ALA 36 4.271 -2.716 3.461 284 H ILE 37 H ILE 37 2.833 -5.334 3.462 285 HA ILE 37 HA ILE 37 0.074 -5.951 4.407 286 HB ILE 37 HB ILE 37 1.586 -7.175 2.208 287 HG12 ILE 37 2HG1 ILE 37 -1.247 -7.821 3.084 288 HG13 ILE 37 3HG1 ILE 37 -0.852 -6.235 2.426 289 HG21 ILE 37 1HG2 ILE 37 0.480 -9.144 4.232 290 HG22 ILE 37 2HG2 ILE 37 1.070 -9.505 2.585 291 HG23 ILE 37 3HG2 ILE 37 2.194 -8.915 3.809 292 HD11 ILE 37 3HD1 ILE 37 -1.673 -7.669 0.665 293 HD12 ILE 37 1HD1 ILE 37 0.036 -7.271 0.377 294 HD13 ILE 37 2HD1 ILE 37 -0.412 -8.876 1.003 295 H MET 38 H MET 38 -0.113 -7.305 6.167 296 HA MET 38 HA MET 38 2.311 -7.444 7.802 297 HB2 MET 38 2HB MET 38 -0.084 -6.687 8.558 298 HB3 MET 38 3HB MET 38 -0.410 -8.409 8.690 299 HG2 MET 38 2HG MET 38 0.267 -7.964 10.817 300 HG3 MET 38 3HG MET 38 1.828 -8.373 10.119 301 HE1 MET 38 3HE MET 38 3.535 -6.541 9.272 302 HE2 MET 38 1HE MET 38 2.425 -5.422 8.460 303 HE3 MET 38 2HE MET 38 3.529 -4.831 9.725 304 H VAL 39 H VAL 39 3.634 -9.061 7.961 305 HA VAL 39 HA VAL 39 2.562 -11.835 8.081 306 HB VAL 39 HB VAL 39 3.288 -11.450 5.765 307 HG11 VAL 39 1HG1 VAL 39 5.075 -9.793 6.121 308 HG12 VAL 39 2HG1 VAL 39 6.089 -11.036 6.888 309 HG13 VAL 39 3HG1 VAL 39 5.618 -11.188 5.181 310 HG21 VAL 39 3HG2 VAL 39 5.168 -13.407 7.092 311 HG22 VAL 39 1HG2 VAL 39 3.440 -13.712 6.763 312 HG23 VAL 39 2HG2 VAL 39 4.567 -13.410 5.433 313 H GLN 40 H GLN 40 3.952 -13.336 9.175 314 HA GLN 40 HA GLN 40 5.624 -12.175 11.300 315 HB2 GLN 40 2HB GLN 40 5.971 -14.707 11.791 316 HB3 GLN 40 3HB GLN 40 4.446 -13.928 12.191 317 HG2 GLN 40 2HG GLN 40 3.323 -14.844 10.292 318 HG3 GLN 40 3HG GLN 40 4.832 -15.444 9.585 319 HE21 GLN 40 2HE2 GLN 40 5.948 -17.279 10.742 320 HE22 GLN 40 1HE2 GLN 40 4.963 -18.338 11.742 321 H SER 41 H SER 41 7.751 -12.068 11.410 322 HA SER 41 HA SER 41 9.127 -12.156 8.895 323 HB2 SER 41 2HB SER 41 9.397 -10.371 10.546 324 HB3 SER 41 3HB SER 41 10.195 -11.501 11.638 325 HG SER 41 HG SER 41 11.476 -10.116 9.981 326 HA PRO 42 HA PRO 42 11.510 -15.888 9.444 327 HB2 PRO 42 2HB PRO 42 13.108 -14.740 7.171 328 HB3 PRO 42 3HB PRO 42 12.435 -16.386 7.352 329 HG2 PRO 42 2HG PRO 42 11.260 -14.569 5.697 330 HG3 PRO 42 3HG PRO 42 10.262 -15.658 6.716 331 HD2 PRO 42 2HD PRO 42 11.030 -12.770 7.263 332 HD3 PRO 42 3HD PRO 42 9.434 -13.571 7.398 333 H MET 43 H MET 43 12.560 -12.590 9.621 334 HA MET 43 HA MET 43 15.291 -13.296 10.621 335 HB2 MET 43 2HB MET 43 14.228 -10.825 9.249 336 HB3 MET 43 3HB MET 43 15.836 -10.931 9.950 337 HG2 MET 43 2HG MET 43 16.668 -12.309 8.348 338 HG3 MET 43 3HG MET 43 15.148 -13.146 8.072 339 HE1 MET 43 3HE MET 43 13.143 -10.971 5.677 340 HE2 MET 43 1HE MET 43 13.366 -12.577 6.410 341 HE3 MET 43 2HE MET 43 13.012 -11.181 7.440 342 H PHE 44 H PHE 44 12.295 -11.938 11.643 343 HA PHE 44 HA PHE 44 13.506 -10.775 14.115 344 HB2 PHE 44 2HB PHE 44 12.986 -8.994 12.527 345 HB3 PHE 44 3HB PHE 44 11.346 -9.586 12.340 346 HD1 PHE 44 HD2 PHE 44 13.710 -8.319 14.982 347 HD2 PHE 44 HD1 PHE 44 9.619 -8.678 13.655 348 HE1 PHE 44 HE2 PHE 44 12.961 -6.922 16.897 349 HE2 PHE 44 HE1 PHE 44 8.879 -7.273 15.565 350 HZ PHE 44 HZ PHE 44 10.547 -6.402 17.191 351 H ASP 45 H ASP 45 11.867 -10.402 15.829 352 HA ASP 45 HA ASP 45 10.388 -12.954 16.255 353 HB2 ASP 45 2HB ASP 45 11.595 -10.978 18.220 354 HB3 ASP 45 3HB ASP 45 10.682 -12.421 18.666 355 H GLY 46 H GLY 46 8.844 -11.522 14.701 356 HA2 GLY 46 2HA GLY 46 6.446 -10.927 16.012 357 HA3 GLY 46 3HA GLY 46 7.335 -9.406 15.873 358 H LYS 47 H LYS 47 5.582 -8.718 14.559 359 HA LYS 47 HA LYS 47 5.299 -9.926 11.856 360 HB2 LYS 47 2HB LYS 47 3.501 -7.985 13.361 361 HB3 LYS 47 3HB LYS 47 3.151 -8.703 11.798 362 HG2 LYS 47 2HG LYS 47 3.542 -10.319 14.359 363 HG3 LYS 47 3HG LYS 47 1.972 -9.741 13.805 364 HD2 LYS 47 2HD LYS 47 3.791 -11.629 12.295 365 HD3 LYS 47 3HD LYS 47 2.463 -12.147 13.307 366 HE2 LYS 47 2HE LYS 47 2.109 -10.376 10.845 367 HE3 LYS 47 3HE LYS 47 2.042 -12.138 10.811 368 HZ1 LYS 47 3HZ LYS 47 0.178 -10.408 12.355 369 HZ2 LYS 47 1HZ LYS 47 -0.180 -11.270 11.018 370 HZ3 LYS 47 2HZ LYS 47 0.189 -12.046 12.401 371 H VAL 48 H VAL 48 5.675 -8.835 10.035 372 HA VAL 48 HA VAL 48 6.881 -6.119 10.207 373 HB VAL 48 HB VAL 48 8.621 -6.875 8.608 374 HG11 VAL 48 1HG1 VAL 48 10.043 -7.944 10.296 375 HG12 VAL 48 2HG1 VAL 48 9.074 -6.664 11.036 376 HG13 VAL 48 3HG1 VAL 48 8.626 -8.361 11.277 377 HG21 VAL 48 3HG2 VAL 48 7.596 -8.890 7.670 378 HG22 VAL 48 1HG2 VAL 48 9.165 -9.254 8.391 379 HG23 VAL 48 2HG2 VAL 48 7.672 -9.693 9.248 380 HA PRO 49 HA PRO 49 4.341 -5.477 6.662 381 HB2 PRO 49 2HB PRO 49 5.108 -2.988 5.848 382 HB3 PRO 49 3HB PRO 49 4.274 -3.293 7.404 383 HG2 PRO 49 2HG PRO 49 7.249 -2.957 6.902 384 HG3 PRO 49 3HG PRO 49 6.243 -2.175 8.162 385 HD2 PRO 49 2HD PRO 49 7.745 -4.432 8.628 386 HD3 PRO 49 3HD PRO 49 6.193 -4.116 9.461 387 H HIS 50 H HIS 50 4.393 -6.263 4.611 388 HA HIS 50 HA HIS 50 6.932 -6.323 3.035 389 HB2 HIS 50 2HB HIS 50 4.340 -7.863 3.011 390 HB3 HIS 50 3HB HIS 50 5.280 -7.737 1.531 391 HD2 HIS 50 HD2 HIS 50 7.031 -7.945 4.927 392 HE1 HIS 50 HE1 HIS 50 7.819 -11.622 2.913 393 HE2 HIS 50 HE2 HIS 50 8.438 -10.192 4.929 394 H TRP 51 H TRP 51 7.243 -4.295 2.288 395 HA TRP 51 HA TRP 51 5.118 -2.660 1.231 396 HB2 TRP 51 2HB TRP 51 8.140 -2.404 1.203 397 HB3 TRP 51 3HB TRP 51 7.041 -1.185 0.574 398 HD1 TRP 51 HD1 TRP 51 8.642 -2.265 3.748 399 HE1 TRP 51 HE1 TRP 51 7.839 -0.796 5.693 400 HE3 TRP 51 HE3 TRP 51 4.710 0.052 1.428 401 HZ2 TRP 51 HZ2 TRP 51 5.733 1.118 6.193 402 HZ3 TRP 51 HZ3 TRP 51 3.270 1.653 2.700 403 HH2 TRP 51 HH2 TRP 51 3.808 2.208 5.045 404 H TYR 52 H TYR 52 4.480 -2.329 -0.814 405 HA TYR 52 HA TYR 52 6.199 -3.095 -3.107 406 HB2 TYR 52 2HB TYR 52 3.236 -3.352 -3.396 407 HB3 TYR 52 3HB TYR 52 4.558 -4.100 -4.292 408 HD1 TYR 52 HD1 TYR 52 2.906 -4.289 -0.880 409 HD2 TYR 52 HD2 TYR 52 4.854 -6.335 -4.122 410 HE1 TYR 52 HE1 TYR 52 2.286 -6.480 0.131 411 HE2 TYR 52 HE2 TYR 52 4.186 -8.532 -3.140 412 HH TYR 52 HH TYR 52 2.361 -8.761 -0.071 413 H HIS 53 H HIS 53 5.680 -1.792 -5.037 414 HA HIS 53 HA HIS 53 4.955 0.987 -4.655 415 HB2 HIS 53 2HB HIS 53 4.626 -0.720 -7.158 416 HB3 HIS 53 3HB HIS 53 4.520 1.015 -7.089 417 HD2 HIS 53 HD2 HIS 53 6.802 2.412 -6.486 418 HE1 HIS 53 HE1 HIS 53 9.382 -0.522 -8.182 419 HE2 HIS 53 HE2 HIS 53 9.167 1.922 -7.517 420 H PHE 54 H PHE 54 2.920 2.084 -5.160 421 HA PHE 54 HA PHE 54 0.594 1.014 -4.098 422 HB2 PHE 54 2HB PHE 54 0.732 3.340 -4.488 423 HB3 PHE 54 3HB PHE 54 1.019 3.139 -6.207 424 HD1 PHE 54 HD2 PHE 54 -1.653 2.536 -3.581 425 HD2 PHE 54 HD1 PHE 54 -0.758 3.248 -7.747 426 HE1 PHE 54 HE2 PHE 54 -4.077 2.674 -4.094 427 HE2 PHE 54 HE1 PHE 54 -3.186 3.412 -8.231 428 HZ PHE 54 HZ PHE 54 -4.845 3.083 -6.413 429 H SER 55 H SER 55 1.471 0.912 -7.630 430 HA SER 55 HA SER 55 -0.990 -0.468 -8.328 431 HB2 SER 55 2HB SER 55 1.565 -0.069 -9.923 432 HB3 SER 55 3HB SER 55 0.012 -0.640 -10.560 433 HG SER 55 HG SER 55 0.290 1.622 -10.874 434 H CYS 56 HN CYS 56 2.350 -1.476 -7.583 435 HA CYS 56 HA CYS 56 2.156 -4.097 -8.516 436 HB2 CYS 56 2HB CYS 56 3.832 -2.845 -6.337 437 HB3 CYS 56 3HB CYS 56 4.006 -4.525 -6.829 438 H PHE 57 H PHE 57 1.178 -2.712 -5.395 439 HA PHE 57 HA PHE 57 0.541 -5.019 -3.878 440 HB2 PHE 57 2HB PHE 57 0.562 -2.751 -3.026 441 HB3 PHE 57 3HB PHE 57 -0.852 -2.336 -3.993 442 HD1 PHE 57 HD2 PHE 57 -3.061 -3.458 -3.549 443 HD2 PHE 57 HD1 PHE 57 0.331 -3.950 -0.936 444 HE1 PHE 57 HE2 PHE 57 -4.554 -4.362 -1.796 445 HE2 PHE 57 HE1 PHE 57 -1.177 -4.779 0.848 446 HZ PHE 57 HZ PHE 57 -3.617 -5.037 0.402 447 H TRP 58 H TRP 58 -1.608 -3.188 -6.126 448 HA TRP 58 HA TRP 58 -3.744 -5.124 -5.938 449 HB2 TRP 58 2HB TRP 58 -3.317 -2.988 -8.043 450 HB3 TRP 58 3HB TRP 58 -4.832 -3.771 -7.598 451 HD1 TRP 58 HD1 TRP 58 -2.789 -0.805 -6.877 452 HE1 TRP 58 HE1 TRP 58 -3.579 0.482 -4.825 453 HE3 TRP 58 HE3 TRP 58 -6.170 -4.204 -5.056 454 HZ2 TRP 58 HZ2 TRP 58 -5.518 0.128 -2.686 455 HZ3 TRP 58 HZ3 TRP 58 -7.465 -3.697 -3.015 456 HH2 TRP 58 HH2 TRP 58 -7.158 -1.528 -1.839 457 H LYS 59 H LYS 59 -0.961 -4.801 -8.078 458 HA LYS 59 HA LYS 59 -1.700 -6.793 -10.024 459 HB2 LYS 59 2HB LYS 59 -0.034 -4.942 -10.261 460 HB3 LYS 59 3HB LYS 59 1.006 -5.797 -9.115 461 HG2 LYS 59 2HG LYS 59 1.339 -7.622 -10.664 462 HG3 LYS 59 3HG LYS 59 0.134 -6.937 -11.776 463 HD2 LYS 59 2HD LYS 59 2.370 -6.403 -12.605 464 HD3 LYS 59 3HD LYS 59 1.562 -4.928 -12.067 465 HE2 LYS 59 2HE LYS 59 2.807 -5.414 -9.776 466 HE3 LYS 59 3HE LYS 59 3.838 -6.458 -10.743 467 HZ1 LYS 59 3HZ LYS 59 4.518 -4.045 -10.412 468 HZ2 LYS 59 1HZ LYS 59 4.559 -4.567 -11.986 469 HZ3 LYS 59 2HZ LYS 59 3.339 -3.613 -11.430 470 H VAL 60 H VAL 60 -0.494 -7.135 -6.703 471 HA VAL 60 HA VAL 60 0.149 -9.974 -7.035 472 HB VAL 60 HB VAL 60 -0.865 -8.813 -4.450 473 HG11 VAL 60 1HG1 VAL 60 -0.445 -11.235 -4.423 474 HG12 VAL 60 2HG1 VAL 60 1.173 -10.987 -5.116 475 HG13 VAL 60 3HG1 VAL 60 0.795 -10.432 -3.477 476 HG21 VAL 60 3HG2 VAL 60 1.940 -8.487 -5.563 477 HG22 VAL 60 1HG2 VAL 60 0.823 -7.227 -4.989 478 HG23 VAL 60 2HG2 VAL 60 1.527 -8.331 -3.839 479 H GLY 61 H GLY 61 -2.832 -8.239 -7.088 480 HA2 GLY 61 2HA GLY 61 -4.902 -9.125 -7.684 481 HA3 GLY 61 3HA GLY 61 -4.411 -10.737 -7.170 482 H HIS 62 H HIS 62 -3.801 -8.196 -4.864 483 HA HIS 62 HA HIS 62 -5.630 -9.310 -2.931 484 HB2 HIS 62 2HB HIS 62 -3.988 -6.768 -2.902 485 HB3 HIS 62 3HB HIS 62 -4.924 -7.366 -1.531 486 HD2 HIS 62 HD2 HIS 62 -1.527 -7.346 -2.605 487 HE1 HIS 62 HE1 HIS 62 -1.803 -11.163 -0.726 488 HE2 HIS 62 HE2 HIS 62 -0.199 -9.410 -1.634 489 H SER 63 H SER 63 -7.401 -8.388 -1.925 490 HA SER 63 HA SER 63 -8.709 -5.989 -3.093 491 HB2 SER 63 2HB SER 63 -10.113 -8.630 -2.520 492 HB3 SER 63 3HB SER 63 -10.929 -7.089 -2.828 493 HG SER 63 HG SER 63 -9.179 -8.467 -4.608 494 H ILE 64 H ILE 64 -10.019 -4.851 -1.603 495 HA ILE 64 HA ILE 64 -9.632 -5.461 1.298 496 HB ILE 64 HB ILE 64 -8.982 -2.800 -0.021 497 HG12 ILE 64 2HG1 ILE 64 -7.093 -4.938 1.039 498 HG13 ILE 64 3HG1 ILE 64 -7.232 -4.364 -0.624 499 HG21 ILE 64 1HG2 ILE 64 -9.877 -2.619 2.295 500 HG22 ILE 64 2HG2 ILE 64 -8.601 -3.725 2.860 501 HG23 ILE 64 3HG2 ILE 64 -8.192 -2.137 2.188 502 HD11 ILE 64 3HD1 ILE 64 -5.311 -3.305 0.218 503 HD12 ILE 64 1HD1 ILE 64 -6.559 -2.049 0.239 504 HD13 ILE 64 2HD1 ILE 64 -6.089 -2.885 1.739 505 H ARG 65 H ARG 65 -11.525 -5.393 2.239 506 HA ARG 65 HA ARG 65 -13.867 -4.486 0.733 507 HB2 ARG 65 2HB ARG 65 -15.152 -5.601 2.570 508 HB3 ARG 65 3HB ARG 65 -14.114 -6.633 1.608 509 HG2 ARG 65 2HG ARG 65 -13.033 -5.523 4.200 510 HG3 ARG 65 3HG ARG 65 -14.218 -6.826 4.264 511 HD2 ARG 65 2HD ARG 65 -12.844 -8.322 3.025 512 HD3 ARG 65 3HD ARG 65 -11.710 -7.063 2.558 513 HE ARG 65 HE ARG 65 -11.090 -6.823 4.983 514 HH11 ARG 65 1HH2 ARG 65 -12.169 -9.977 3.855 515 HH12 ARG 65 2HH2 ARG 65 -11.494 -10.777 5.247 516 HH21 ARG 65 1HH1 ARG 65 -10.506 -7.840 6.765 517 HH22 ARG 65 2HH1 ARG 65 -10.504 -9.595 6.848 518 H HIS 66 H HIS 66 -12.087 -3.224 3.356 519 HA HIS 66 HA HIS 66 -13.599 -0.733 3.311 520 HB2 HIS 66 2HB HIS 66 -13.841 -0.684 5.836 521 HB3 HIS 66 3HB HIS 66 -15.013 -1.579 4.896 522 HD2 HIS 66 HD2 HIS 66 -11.829 -3.573 5.568 523 HE1 HIS 66 HE1 HIS 66 -14.705 -4.897 8.420 524 HE2 HIS 66 HE2 HIS 66 -12.401 -5.352 7.411 525 HA PRO 67 HA PRO 67 -9.073 -0.581 3.712 526 HB2 PRO 67 2HB PRO 67 -8.564 1.638 2.119 527 HB3 PRO 67 3HB PRO 67 -8.802 -0.015 1.474 528 HG2 PRO 67 2HG PRO 67 -10.865 2.173 1.786 529 HG3 PRO 67 3HG PRO 67 -10.522 1.181 0.327 530 HD2 PRO 67 2HD PRO 67 -12.558 0.560 1.968 531 HD3 PRO 67 3HD PRO 67 -11.515 -0.748 1.326 532 H ASP 68 H ASP 68 -11.377 2.065 4.351 533 HA ASP 68 HA ASP 68 -9.461 3.622 5.857 534 HB2 ASP 68 2HB ASP 68 -11.424 4.893 6.610 535 HB3 ASP 68 3HB ASP 68 -11.373 4.697 4.862 536 H VAL 69 H VAL 69 -10.895 0.642 6.499 537 HA VAL 69 HA VAL 69 -10.568 0.881 9.444 538 HB VAL 69 HB VAL 69 -11.827 -1.354 7.814 539 HG11 VAL 69 1HG1 VAL 69 -12.684 -2.159 9.987 540 HG12 VAL 69 2HG1 VAL 69 -10.926 -2.224 9.913 541 HG13 VAL 69 3HG1 VAL 69 -11.721 -0.918 10.824 542 HG21 VAL 69 3HG2 VAL 69 -13.231 0.670 7.755 543 HG22 VAL 69 1HG2 VAL 69 -13.968 -0.574 8.766 544 HG23 VAL 69 2HG2 VAL 69 -13.133 0.804 9.524 545 H GLU 70 H GLU 70 -9.467 -0.964 6.595 546 HA GLU 70 HA GLU 70 -7.501 -2.438 8.316 547 HB2 GLU 70 2HB GLU 70 -8.734 -3.132 5.629 548 HB3 GLU 70 3HB GLU 70 -7.578 -4.135 6.527 549 HG2 GLU 70 2HG GLU 70 -9.140 -4.295 8.424 550 HG3 GLU 70 3HG GLU 70 -10.332 -3.357 7.532 551 H VAL 71 H VAL 71 -7.364 -0.063 5.824 552 HA VAL 71 HA VAL 71 -4.449 -0.576 5.277 553 HB VAL 71 HB VAL 71 -6.259 1.487 4.042 554 HG11 VAL 71 1HG1 VAL 71 -3.473 0.484 3.370 555 HG12 VAL 71 2HG1 VAL 71 -4.408 1.740 2.516 556 HG13 VAL 71 3HG1 VAL 71 -3.831 2.027 4.172 557 HG21 VAL 71 3HG2 VAL 71 -6.115 0.042 2.055 558 HG22 VAL 71 1HG2 VAL 71 -5.132 -1.133 2.961 559 HG23 VAL 71 2HG2 VAL 71 -6.826 -0.886 3.389 560 H ASP 72 H ASP 72 -3.648 -0.207 7.387 561 HA ASP 72 HA ASP 72 -3.966 2.336 8.708 562 HB2 ASP 72 2HB ASP 72 -3.016 0.411 9.824 563 HB3 ASP 72 3HB ASP 72 -1.618 0.427 8.746 564 H GLY 73 H GLY 73 -2.715 4.185 8.665 565 HA2 GLY 73 2HA GLY 73 -1.365 5.852 7.790 566 HA3 GLY 73 3HA GLY 73 -0.722 4.724 6.602 567 H PHE 74 H PHE 74 -4.028 4.467 6.272 568 HA PHE 74 HA PHE 74 -4.376 6.042 3.925 569 HB2 PHE 74 2HB PHE 74 -5.735 4.116 4.572 570 HB3 PHE 74 3HB PHE 74 -6.343 4.970 5.983 571 HD1 PHE 74 HD2 PHE 74 -6.425 4.797 2.263 572 HD2 PHE 74 HD1 PHE 74 -8.212 6.483 5.810 573 HE1 PHE 74 HE2 PHE 74 -8.414 5.494 0.939 574 HE2 PHE 74 HE1 PHE 74 -10.196 7.166 4.483 575 HZ PHE 74 HZ PHE 74 -10.319 6.630 2.064 576 H SER 75 H SER 75 -4.550 6.952 7.318 577 HA SER 75 HA SER 75 -5.810 9.528 7.058 578 HB2 SER 75 2HB SER 75 -4.657 9.869 9.302 579 HB3 SER 75 3HB SER 75 -5.779 8.495 9.192 580 HG SER 75 HG SER 75 -3.770 7.942 10.204 581 H GLU 76 H GLU 76 -2.499 8.450 6.395 582 HA GLU 76 HA GLU 76 -1.322 11.123 6.604 583 HB2 GLU 76 2HB GLU 76 -0.322 8.570 5.267 584 HB3 GLU 76 3HB GLU 76 0.614 10.039 5.420 585 HG2 GLU 76 2HG GLU 76 -0.467 8.542 7.847 586 HG3 GLU 76 3HG GLU 76 1.092 8.203 7.107 587 H LEU 77 H LEU 77 -2.889 9.215 4.105 588 HA LEU 77 HA LEU 77 -1.986 10.687 1.801 589 HB2 LEU 77 2HB LEU 77 -4.499 9.021 2.220 590 HB3 LEU 77 3HB LEU 77 -3.862 9.535 0.667 591 HG LEU 77 HG LEU 77 -2.556 7.573 2.595 592 HD11 LEU 77 1HD1 LEU 77 -4.526 6.707 1.392 593 HD12 LEU 77 2HD1 LEU 77 -3.862 7.281 -0.152 594 HD13 LEU 77 3HD1 LEU 77 -3.049 5.988 0.732 595 HD21 LEU 77 3HD2 LEU 77 -0.915 7.167 0.848 596 HD22 LEU 77 1HD2 LEU 77 -1.586 8.509 -0.115 597 HD23 LEU 77 2HD2 LEU 77 -0.813 8.808 1.467 598 H ARG 78 H ARG 78 -3.016 12.210 0.536 599 HA ARG 78 HA ARG 78 -5.117 13.853 1.847 600 HB2 ARG 78 2HB ARG 78 -3.519 14.296 -0.719 601 HB3 ARG 78 3HB ARG 78 -4.841 15.333 -0.207 602 HG2 ARG 78 2HG ARG 78 -2.151 14.991 1.135 603 HG3 ARG 78 3HG ARG 78 -2.898 16.441 0.476 604 HD2 ARG 78 2HD ARG 78 -3.347 16.878 2.670 605 HD3 ARG 78 3HD ARG 78 -4.773 15.870 2.335 606 HE ARG 78 HE ARG 78 -2.364 14.410 3.219 607 HH11 ARG 78 1HH2 ARG 78 -5.241 15.978 4.481 608 HH12 ARG 78 2HH2 ARG 78 -5.227 14.995 5.921 609 HH21 ARG 78 1HH1 ARG 78 -2.454 13.184 4.981 610 HH22 ARG 78 2HH1 ARG 78 -3.718 13.372 6.158 611 H TRP 79 H TRP 79 -6.886 14.652 0.533 612 HA TRP 79 HA TRP 79 -8.617 12.563 0.497 613 HB2 TRP 79 2HB TRP 79 -9.895 14.354 0.754 614 HB3 TRP 79 3HB TRP 79 -8.746 15.405 -0.043 615 HD1 TRP 79 HD1 TRP 79 -11.978 13.536 -0.681 616 HE1 TRP 79 HE1 TRP 79 -12.934 14.198 -2.973 617 HE3 TRP 79 HE3 TRP 79 -7.994 16.186 -2.467 618 HZ2 TRP 79 HZ2 TRP 79 -12.096 15.760 -5.266 619 HZ3 TRP 79 HZ3 TRP 79 -8.076 17.236 -4.714 620 HH2 TRP 79 HH2 TRP 79 -10.121 17.033 -6.123 621 H ASP 80 H ASP 80 -6.956 13.847 -2.378 622 HA ASP 80 HA ASP 80 -8.514 12.400 -4.276 623 HB2 ASP 80 2HB ASP 80 -7.200 14.450 -4.768 624 HB3 ASP 80 3HB ASP 80 -5.718 13.495 -4.637 625 H ASP 81 H ASP 81 -5.728 11.422 -2.360 626 HA ASP 81 HA ASP 81 -5.262 8.967 -3.955 627 HB2 ASP 81 2HB ASP 81 -3.850 10.200 -1.572 628 HB3 ASP 81 3HB ASP 81 -3.550 8.548 -2.120 629 H GLN 82 H GLN 82 -6.664 10.051 -0.817 630 HA GLN 82 HA GLN 82 -7.417 7.476 0.150 631 HB2 GLN 82 2HB GLN 82 -8.706 10.220 0.398 632 HB3 GLN 82 3HB GLN 82 -9.341 8.788 1.206 633 HG2 GLN 82 2HG GLN 82 -7.198 8.458 2.375 634 HG3 GLN 82 3HG GLN 82 -6.535 9.900 1.595 635 HE21 GLN 82 2HE2 GLN 82 -6.656 9.594 4.412 636 HE22 GLN 82 1HE2 GLN 82 -7.779 10.819 5.019 637 H GLN 83 H GLN 83 -9.365 9.727 -1.964 638 HA GLN 83 HA GLN 83 -11.442 7.813 -2.278 639 HB2 GLN 83 2HB GLN 83 -12.412 9.251 -3.875 640 HB3 GLN 83 3HB GLN 83 -11.683 10.248 -2.617 641 HG2 GLN 83 2HG GLN 83 -9.719 10.618 -4.153 642 HG3 GLN 83 3HG GLN 83 -10.574 9.750 -5.421 643 HE21 GLN 83 2HE2 GLN 83 -9.821 12.356 -6.060 644 HE22 GLN 83 1HE2 GLN 83 -11.244 13.374 -5.974 645 H LYS 84 H LYS 84 -8.393 8.022 -4.001 646 HA LYS 84 HA LYS 84 -9.234 6.269 -6.197 647 HB2 LYS 84 2HB LYS 84 -7.830 8.166 -6.649 648 HB3 LYS 84 3HB LYS 84 -6.665 7.659 -5.430 649 HG2 LYS 84 2HG LYS 84 -7.175 5.617 -7.546 650 HG3 LYS 84 3HG LYS 84 -6.534 7.135 -8.166 651 HD2 LYS 84 2HD LYS 84 -5.295 5.655 -5.821 652 HD3 LYS 84 3HD LYS 84 -4.779 5.430 -7.515 653 HE2 LYS 84 2HE LYS 84 -4.216 7.828 -7.699 654 HE3 LYS 84 3HE LYS 84 -4.823 8.118 -6.070 655 HZ1 LYS 84 3HZ LYS 84 -3.069 6.417 -5.370 656 HZ2 LYS 84 1HZ LYS 84 -2.360 6.710 -6.823 657 HZ3 LYS 84 2HZ LYS 84 -2.604 7.935 -5.729 658 H VAL 85 H VAL 85 -7.335 6.040 -3.157 659 HA VAL 85 HA VAL 85 -6.736 3.194 -3.485 660 HB VAL 85 HB VAL 85 -6.979 4.963 -1.017 661 HG11 VAL 85 1HG1 VAL 85 -6.147 2.019 -1.098 662 HG12 VAL 85 2HG1 VAL 85 -5.919 3.113 0.277 663 HG13 VAL 85 3HG1 VAL 85 -7.551 2.703 -0.240 664 HG21 VAL 85 3HG2 VAL 85 -4.527 3.538 -2.124 665 HG22 VAL 85 1HG2 VAL 85 -4.958 5.199 -2.584 666 HG23 VAL 85 2HG2 VAL 85 -4.596 4.807 -0.897 667 H LYS 86 H LYS 86 -9.518 4.955 -1.957 668 HA LYS 86 HA LYS 86 -11.008 2.569 -1.375 669 HB2 LYS 86 2HB LYS 86 -12.014 5.398 -1.910 670 HB3 LYS 86 3HB LYS 86 -12.997 4.057 -1.339 671 HG2 LYS 86 2HG LYS 86 -10.960 3.967 0.509 672 HG3 LYS 86 3HG LYS 86 -10.932 5.665 0.111 673 HD2 LYS 86 2HD LYS 86 -12.288 5.335 2.056 674 HD3 LYS 86 3HD LYS 86 -13.323 5.880 0.723 675 HE2 LYS 86 2HE LYS 86 -14.118 3.606 0.347 676 HE3 LYS 86 3HE LYS 86 -12.923 2.956 1.482 677 HZ1 LYS 86 3HZ LYS 86 -15.031 4.836 2.374 678 HZ2 LYS 86 1HZ LYS 86 -15.258 3.218 2.362 679 HZ3 LYS 86 2HZ LYS 86 -14.091 3.836 3.299 680 H LYS 87 H LYS 87 -11.070 4.604 -4.333 681 HA LYS 87 HA LYS 87 -12.954 2.975 -5.771 682 HB2 LYS 87 2HB LYS 87 -12.297 5.243 -6.426 683 HB3 LYS 87 3HB LYS 87 -10.669 4.703 -6.823 684 HG2 LYS 87 2HG LYS 87 -13.065 3.439 -8.190 685 HG3 LYS 87 3HG LYS 87 -12.526 5.050 -8.663 686 HD2 LYS 87 2HD LYS 87 -10.262 4.187 -9.173 687 HD3 LYS 87 3HD LYS 87 -10.794 2.540 -8.777 688 HE2 LYS 87 2HE LYS 87 -12.540 2.666 -10.524 689 HE3 LYS 87 3HE LYS 87 -12.042 4.316 -10.915 690 HZ1 LYS 87 3HZ LYS 87 -10.320 1.909 -11.213 691 HZ2 LYS 87 1HZ LYS 87 -11.042 2.714 -12.435 692 HZ3 LYS 87 2HZ LYS 87 -9.864 3.440 -11.572 693 H THR 88 H THR 88 -9.379 2.721 -5.635 694 HA THR 88 HA THR 88 -9.283 0.493 -7.397 695 HB THR 88 HB THR 88 -7.159 1.304 -5.400 696 HG1 THR 88 1HG THR 88 -7.632 3.034 -6.682 697 HG21 THR 88 1HG2 THR 88 -7.117 -0.154 -8.080 698 HG22 THR 88 2HG2 THR 88 -5.686 0.360 -7.153 699 HG23 THR 88 3HG2 THR 88 -6.774 -0.883 -6.502 700 H ALA 89 H ALA 89 -9.679 0.639 -3.881 701 HA ALA 89 HA ALA 89 -9.333 -2.170 -3.337 702 HB1 ALA 89 1HB ALA 89 -10.792 0.068 -1.870 703 HB2 ALA 89 2HB ALA 89 -10.384 -1.516 -1.201 704 HB3 ALA 89 3HB ALA 89 -9.089 -0.393 -1.655 705 H GLU 90 H GLU 90 -12.155 -0.066 -4.079 706 HA GLU 90 HA GLU 90 -14.089 -2.194 -4.047 707 HB2 GLU 90 2HB GLU 90 -14.042 0.570 -5.314 708 HB3 GLU 90 3HB GLU 90 -15.429 -0.500 -5.473 709 HG2 GLU 90 2HG GLU 90 -14.317 0.290 -2.754 710 HG3 GLU 90 3HG GLU 90 -15.492 1.267 -3.627 711 H ALA 91 H ALA 91 -12.015 -0.868 -6.583 712 HA ALA 91 HA ALA 91 -13.102 -2.336 -8.769 713 HB1 ALA 91 1HB ALA 91 -10.318 -1.130 -8.372 714 HB2 ALA 91 2HB ALA 91 -11.085 -1.519 -9.919 715 HB3 ALA 91 3HB ALA 91 -11.751 -0.228 -8.894 716 H GLY 92 H GLY 92 -10.779 -3.256 -6.283 717 HA2 GLY 92 2HA GLY 92 -9.707 -5.235 -5.809 718 HA3 GLY 92 3HA GLY 92 -10.728 -6.054 -6.998 719 H GLY 93 H GLY 93 -8.803 -3.319 -8.005 720 HA2 GLY 93 2HA GLY 93 -6.413 -4.392 -8.972 721 HA3 GLY 93 3HA GLY 93 -7.638 -4.811 -10.170 722 H VAL 94 H VAL 94 -5.299 -2.764 -9.917 723 HA VAL 94 HA VAL 94 -6.632 -0.189 -10.338 724 HB VAL 94 HB VAL 94 -4.606 -0.510 -8.993 725 HG11 VAL 94 1HG1 VAL 94 -3.391 -2.141 -10.441 726 HG12 VAL 94 2HG1 VAL 94 -3.148 -0.867 -11.651 727 HG13 VAL 94 3HG1 VAL 94 -2.409 -0.725 -10.051 728 HG21 VAL 94 3HG2 VAL 94 -3.444 1.500 -9.705 729 HG22 VAL 94 1HG2 VAL 94 -4.194 1.415 -11.309 730 HG23 VAL 94 2HG2 VAL 94 -5.198 1.715 -9.870 731 H THR 95 H THR 95 -5.380 -2.657 -12.398 732 HA THR 95 HA THR 95 -5.145 -2.970 -14.593 733 HB THR 95 HB THR 95 -6.506 -2.021 -16.211 734 HG1 THR 95 1HG THR 95 -6.728 0.159 -14.447 735 HG21 THR 95 1HG2 THR 95 -8.108 -1.757 -13.633 736 HG22 THR 95 2HG2 THR 95 -8.729 -2.092 -15.265 737 HG23 THR 95 3HG2 THR 95 -7.720 -3.296 -14.433 738 H GLY 96 H GLY 96 -4.213 -2.180 -16.676 739 HA2 GLY 96 2HA GLY 96 -2.458 -1.107 -17.806 740 HA3 GLY 96 3HA GLY 96 -2.225 -0.010 -16.448 741 H LYS 97 H LYS 97 -0.008 -0.889 -17.528 742 HA LYS 97 HA LYS 97 1.167 -2.887 -15.647 743 HB2 LYS 97 2HB LYS 97 1.442 -2.930 -18.685 744 HB3 LYS 97 3HB LYS 97 2.429 -3.886 -17.574 745 HG2 LYS 97 2HG LYS 97 0.346 -4.968 -16.690 746 HG3 LYS 97 3HG LYS 97 -0.589 -4.132 -17.938 747 HD2 LYS 97 2HD LYS 97 1.685 -6.098 -18.453 748 HD3 LYS 97 3HD LYS 97 -0.042 -6.473 -18.530 749 HE2 LYS 97 2HE LYS 97 -0.326 -4.776 -20.337 750 HE3 LYS 97 3HE LYS 97 1.411 -4.451 -20.295 751 HZ1 LYS 97 3HZ LYS 97 0.855 -6.041 -22.040 752 HZ2 LYS 97 1HZ LYS 97 1.795 -6.775 -20.928 753 HZ3 LYS 97 2HZ LYS 97 0.188 -7.075 -20.970 754 H GLY 98 H GLY 98 3.432 -2.838 -15.482 755 HA2 GLY 98 2HA GLY 98 5.583 -1.981 -15.617 756 HA3 GLY 98 3HA GLY 98 5.028 -0.657 -16.628 757 H GLN 99 H GLN 99 6.734 -0.930 -14.139 758 HA GLN 99 HA GLN 99 5.887 1.556 -12.820 759 HB2 GLN 99 2HB GLN 99 6.432 -1.049 -11.326 760 HB3 GLN 99 3HB GLN 99 6.509 0.529 -10.556 761 HG2 GLN 99 2HG GLN 99 3.992 -0.625 -11.826 762 HG3 GLN 99 3HG GLN 99 4.393 -0.676 -10.120 763 HE21 GLN 99 2HE2 GLN 99 3.452 1.512 -12.765 764 HE22 GLN 99 1HE2 GLN 99 2.988 2.832 -11.682 765 H ASP 100 H ASP 100 7.712 2.410 -11.458 766 HA ASP 100 HA ASP 100 10.427 1.522 -12.272 767 HB2 ASP 100 2HB ASP 100 9.680 3.192 -13.942 768 HB3 ASP 100 3HB ASP 100 9.316 4.333 -12.647 769 H GLY 101 H GLY 101 12.127 2.288 -10.858 770 HA2 GLY 101 2HA GLY 101 11.713 4.025 -8.659 771 HA3 GLY 101 3HA GLY 101 11.429 2.379 -8.099 772 H ILE 102 H ILE 102 13.268 3.723 -6.861 773 HA ILE 102 HA ILE 102 15.754 2.300 -7.312 774 HB ILE 102 HB ILE 102 15.971 4.403 -8.700 775 HG12 ILE 102 2HG1 ILE 102 18.135 5.206 -7.835 776 HG13 ILE 102 3HG1 ILE 102 17.904 4.294 -6.350 777 HG21 ILE 102 1HG2 ILE 102 14.600 5.909 -7.302 778 HG22 ILE 102 2HG2 ILE 102 15.847 5.877 -6.036 779 HG23 ILE 102 3HG2 ILE 102 16.199 6.582 -7.626 780 HD11 ILE 102 3HD1 ILE 102 17.921 2.175 -7.671 781 HD12 ILE 102 1HD1 ILE 102 18.078 3.120 -9.168 782 HD13 ILE 102 2HD1 ILE 102 19.382 3.134 -7.964 783 H GLY 103 H GLY 103 17.101 2.342 -5.320 784 HA2 GLY 103 2HA GLY 103 16.601 3.814 -3.020 785 HA3 GLY 103 3HA GLY 103 15.459 2.478 -2.921 786 H SER 104 H SER 104 16.149 0.801 -1.768 787 HA SER 104 HA SER 104 18.763 0.486 -0.705 788 HB2 SER 104 2HB SER 104 17.845 -1.785 -0.036 789 HB3 SER 104 3HB SER 104 16.912 -0.376 0.488 790 HG SER 104 HG SER 104 15.585 -2.019 -0.398 791 H LYS 105 H LYS 105 17.287 -0.921 -3.612 792 HA LYS 105 HA LYS 105 19.864 -2.222 -4.361 793 HB2 LYS 105 2HB LYS 105 17.645 -3.470 -4.522 794 HB3 LYS 105 3HB LYS 105 17.184 -2.331 -5.793 795 HG2 LYS 105 2HG LYS 105 19.258 -3.065 -7.073 796 HG3 LYS 105 3HG LYS 105 19.564 -4.248 -5.801 797 HD2 LYS 105 2HD LYS 105 18.518 -5.351 -7.660 798 HD3 LYS 105 3HD LYS 105 17.347 -5.322 -6.329 799 HE2 LYS 105 2HE LYS 105 16.133 -3.479 -7.363 800 HE3 LYS 105 3HE LYS 105 17.411 -3.244 -8.561 801 HZ1 LYS 105 3HZ LYS 105 15.612 -5.583 -8.388 802 HZ2 LYS 105 1HZ LYS 105 15.612 -4.439 -9.550 803 HZ3 LYS 105 2HZ LYS 105 16.890 -5.467 -9.448 804 H ALA 106 H ALA 106 21.095 -1.457 -5.990 805 HA ALA 106 HA ALA 106 20.175 0.867 -7.622 806 HB1 ALA 106 1HB ALA 106 22.378 1.892 -7.313 807 HB2 ALA 106 2HB ALA 106 21.604 1.609 -5.744 808 HB3 ALA 106 3HB ALA 106 22.900 0.524 -6.304 809 H GLU 107 H GLU 107 20.584 -2.167 -8.093 810 HA GLU 107 HA GLU 107 21.920 -1.987 -10.741 811 HB2 GLU 107 2HB GLU 107 22.459 -4.130 -8.635 812 HB3 GLU 107 3HB GLU 107 22.987 -4.198 -10.319 813 HG2 GLU 107 2HG GLU 107 24.307 -2.104 -9.977 814 HG3 GLU 107 3HG GLU 107 23.880 -2.140 -8.263 815 H LYS 108 H LYS 108 21.464 -4.303 -11.856 816 HA LYS 108 HA LYS 108 18.588 -4.598 -12.100 817 HB2 LYS 108 2HB LYS 108 20.888 -6.275 -13.188 818 HB3 LYS 108 3HB LYS 108 19.183 -6.516 -13.585 819 HG2 LYS 108 2HG LYS 108 19.058 -4.210 -14.510 820 HG3 LYS 108 3HG LYS 108 20.784 -3.983 -14.163 821 HD2 LYS 108 2HD LYS 108 21.341 -5.882 -15.661 822 HD3 LYS 108 3HD LYS 108 19.612 -6.108 -16.013 823 HE2 LYS 108 2HE LYS 108 19.501 -3.799 -16.926 824 HE3 LYS 108 3HE LYS 108 21.220 -3.575 -16.577 825 HZ1 LYS 108 3HZ LYS 108 21.704 -5.386 -18.138 826 HZ2 LYS 108 1HZ LYS 108 20.115 -5.593 -18.460 827 HZ3 LYS 108 2HZ LYS 108 20.863 -4.210 -18.893 Start of MODEL 21 1 H1 MET 1 H1 MET 1 -1.574 -0.218 25.143 2 H2 MET 1 H2 MET 1 -0.399 -0.948 26.012 3 H3 MET 1 H3 MET 1 -1.867 -1.656 25.882 4 HA MET 1 HA MET 1 -0.286 -2.782 24.465 5 HB2 MET 1 2HB MET 1 -2.248 -1.170 22.777 6 HB3 MET 1 3HB MET 1 -1.462 -2.685 22.336 7 HG2 MET 1 2HG MET 1 -3.577 -2.260 24.469 8 HG3 MET 1 3HG MET 1 -3.724 -3.148 22.961 9 HE1 MET 1 1HE MET 1 -4.858 -5.160 24.224 10 HE2 MET 1 2HE MET 1 -4.164 -5.947 25.657 11 HE3 MET 1 3HE MET 1 -4.720 -4.262 25.754 12 H ALA 2 H ALA 2 1.278 -2.728 22.829 13 HA ALA 2 HA ALA 2 2.235 -0.082 21.846 14 HB1 ALA 2 1HB ALA 2 3.373 -0.496 24.012 15 HB2 ALA 2 2HB ALA 2 3.949 -2.067 23.409 16 HB3 ALA 2 3HB ALA 2 4.515 -0.558 22.658 17 H GLU 3 H GLU 3 1.549 -3.304 21.139 18 HA GLU 3 HA GLU 3 3.690 -4.007 19.410 19 HB2 GLU 3 2HB GLU 3 0.832 -5.070 19.395 20 HB3 GLU 3 3HB GLU 3 2.263 -5.839 18.720 21 HG2 GLU 3 2HG GLU 3 2.232 -6.986 20.658 22 HG3 GLU 3 3HG GLU 3 3.160 -5.616 21.246 23 H SER 4 H SER 4 0.685 -2.304 18.717 24 HA SER 4 HA SER 4 -0.170 -1.310 16.854 25 HB2 SER 4 2HB SER 4 2.756 -0.557 16.639 26 HB3 SER 4 3HB SER 4 1.405 0.320 15.887 27 HG SER 4 HG SER 4 2.018 1.218 17.919 28 H SER 5 H SER 5 0.348 -4.050 16.179 29 HA SER 5 HA SER 5 0.850 -3.892 13.233 30 HB2 SER 5 2HB SER 5 1.976 -6.010 15.099 31 HB3 SER 5 3HB SER 5 2.176 -5.917 13.340 32 HG SER 5 HG SER 5 3.169 -4.114 15.305 33 H ASP 6 H ASP 6 -1.642 -3.891 14.466 34 HA ASP 6 HA ASP 6 -2.674 -6.623 14.040 35 HB2 ASP 6 2HB ASP 6 -3.810 -4.305 15.642 36 HB3 ASP 6 3HB ASP 6 -4.529 -5.912 15.528 37 H LYS 7 H LYS 7 -2.219 -4.788 11.808 38 HA LYS 7 HA LYS 7 -4.856 -4.795 10.514 39 HB2 LYS 7 2HB LYS 7 -4.012 -2.451 9.524 40 HB3 LYS 7 3HB LYS 7 -5.120 -2.628 10.871 41 HG2 LYS 7 2HG LYS 7 -3.536 -0.941 11.400 42 HG3 LYS 7 3HG LYS 7 -3.326 -2.302 12.487 43 HD2 LYS 7 2HD LYS 7 -1.313 -3.027 11.232 44 HD3 LYS 7 3HD LYS 7 -1.567 -1.738 10.052 45 HE2 LYS 7 2HE LYS 7 -1.442 -0.118 12.086 46 HE3 LYS 7 3HE LYS 7 -0.876 -1.511 13.012 47 HZ1 LYS 7 3HZ LYS 7 0.460 -0.184 10.721 48 HZ2 LYS 7 1HZ LYS 7 1.034 -0.409 12.242 49 HZ3 LYS 7 2HZ LYS 7 0.924 -1.687 11.238 50 H LEU 8 H LEU 8 -4.680 -5.747 8.669 51 HA LEU 8 HA LEU 8 -2.094 -6.825 7.990 52 HB2 LEU 8 2HB LEU 8 -3.428 -8.268 6.411 53 HB3 LEU 8 3HB LEU 8 -3.675 -8.428 8.138 54 HG LEU 8 HG LEU 8 -5.806 -7.254 8.036 55 HD11 LEU 8 1HD1 LEU 8 -5.273 -7.029 5.056 56 HD12 LEU 8 2HD1 LEU 8 -6.832 -6.693 5.845 57 HD13 LEU 8 3HD1 LEU 8 -5.437 -5.681 6.200 58 HD21 LEU 8 3HD2 LEU 8 -5.735 -9.692 7.635 59 HD22 LEU 8 1HD2 LEU 8 -7.064 -8.918 6.758 60 HD23 LEU 8 2HD2 LEU 8 -5.587 -9.402 5.888 61 H TYR 9 H TYR 9 -3.548 -4.025 6.780 62 HA TYR 9 HA TYR 9 -1.744 -4.110 4.428 63 HB2 TYR 9 2HB TYR 9 -4.522 -2.902 4.472 64 HB3 TYR 9 3HB TYR 9 -3.386 -2.840 3.133 65 HD1 TYR 9 HD1 TYR 9 -2.468 -5.700 3.045 66 HD2 TYR 9 HD2 TYR 9 -6.382 -3.999 3.538 67 HE1 TYR 9 HE1 TYR 9 -3.465 -7.739 2.025 68 HE2 TYR 9 HE2 TYR 9 -7.393 -6.040 2.531 69 HH TYR 9 HH TYR 9 -5.374 -8.760 1.338 70 H ARG 10 H ARG 10 -0.919 -2.077 3.812 71 HA ARG 10 HA ARG 10 -1.414 0.260 5.515 72 HB2 ARG 10 2HB ARG 10 0.407 -0.364 6.744 73 HB3 ARG 10 3HB ARG 10 1.082 -1.331 5.464 74 HG2 ARG 10 2HG ARG 10 2.659 0.369 5.901 75 HG3 ARG 10 3HG ARG 10 1.944 0.720 4.342 76 HD2 ARG 10 2HD ARG 10 2.163 2.790 5.402 77 HD3 ARG 10 3HD ARG 10 0.449 2.402 5.510 78 HE ARG 10 HE ARG 10 1.033 1.630 7.929 79 HH11 ARG 10 1HH2 ARG 10 2.706 4.468 6.551 80 HH12 ARG 10 2HH2 ARG 10 1.960 5.487 7.779 81 HH21 ARG 10 1HH1 ARG 10 0.543 2.998 9.548 82 HH22 ARG 10 2HH1 ARG 10 0.915 4.731 9.366 83 H VAL 11 H VAL 11 -1.121 2.215 4.439 84 HA VAL 11 HA VAL 11 0.105 2.282 1.733 85 HB VAL 11 HB VAL 11 -2.418 2.050 1.620 86 HG11 VAL 11 1HG1 VAL 11 -2.435 4.989 2.476 87 HG12 VAL 11 2HG1 VAL 11 -3.827 3.998 1.996 88 HG13 VAL 11 3HG1 VAL 11 -2.949 3.672 3.505 89 HG21 VAL 11 3HG2 VAL 11 -2.615 3.626 -0.236 90 HG22 VAL 11 1HG2 VAL 11 -1.305 4.641 0.406 91 HG23 VAL 11 2HG2 VAL 11 -0.945 3.045 -0.232 92 H GLU 12 H GLU 12 1.183 4.230 1.281 93 HA GLU 12 HA GLU 12 0.794 6.620 2.840 94 HB2 GLU 12 2HB GLU 12 2.999 6.697 3.928 95 HB3 GLU 12 3HB GLU 12 2.040 5.367 4.551 96 HG2 GLU 12 2HG GLU 12 3.286 3.757 3.190 97 HG3 GLU 12 3HG GLU 12 4.219 5.057 2.438 98 H TYR 13 H TYR 13 2.340 8.338 2.247 99 HA TYR 13 HA TYR 13 3.898 7.906 -0.240 100 HB2 TYR 13 2HB TYR 13 3.440 10.323 1.513 101 HB3 TYR 13 3HB TYR 13 4.757 10.246 0.351 102 HD1 TYR 13 HD1 TYR 13 1.032 9.838 0.582 103 HD2 TYR 13 HD2 TYR 13 4.417 10.755 -1.925 104 HE1 TYR 13 HE1 TYR 13 -0.515 10.520 -1.236 105 HE2 TYR 13 HE2 TYR 13 2.875 11.423 -3.759 106 HH TYR 13 HH TYR 13 -0.684 11.388 -3.382 107 H ALA 14 H ALA 14 5.994 7.463 -0.258 108 HA ALA 14 HA ALA 14 7.137 6.119 1.902 109 HB1 ALA 14 1HB ALA 14 8.384 7.202 -0.660 110 HB2 ALA 14 2HB ALA 14 9.118 5.964 0.368 111 HB3 ALA 14 3HB ALA 14 7.581 5.639 -0.469 112 H LYS 15 H LYS 15 8.205 6.719 3.656 113 HA LYS 15 HA LYS 15 9.098 9.412 4.211 114 HB2 LYS 15 2HB LYS 15 9.525 6.735 5.605 115 HB3 LYS 15 3HB LYS 15 10.313 8.206 6.156 116 HG2 LYS 15 2HG LYS 15 8.362 7.860 7.478 117 HG3 LYS 15 3HG LYS 15 8.150 9.315 6.503 118 HD2 LYS 15 2HD LYS 15 6.660 8.123 4.971 119 HD3 LYS 15 3HD LYS 15 6.968 6.586 5.818 120 HE2 LYS 15 2HE LYS 15 5.945 7.525 7.866 121 HE3 LYS 15 3HE LYS 15 5.679 9.069 7.034 122 HZ1 LYS 15 3HZ LYS 15 4.496 6.458 6.233 123 HZ2 LYS 15 1HZ LYS 15 3.669 7.663 6.973 124 HZ3 LYS 15 2HZ LYS 15 4.253 7.887 5.459 125 H SER 16 H SER 16 10.857 6.496 3.201 126 HA SER 16 HA SER 16 12.913 8.165 1.967 127 HB2 SER 16 2HB SER 16 13.686 7.730 4.370 128 HB3 SER 16 3HB SER 16 13.891 6.030 3.887 129 HG SER 16 HG SER 16 15.767 7.489 3.603 130 H GLY 17 H GLY 17 14.295 6.999 0.545 131 HA2 GLY 17 2HA GLY 17 12.833 4.977 -0.974 132 HA3 GLY 17 3HA GLY 17 14.308 5.814 -1.467 133 H ARG 18 H ARG 18 13.470 3.714 1.299 134 HA ARG 18 HA ARG 18 15.821 1.927 0.692 135 HB2 ARG 18 2HB ARG 18 14.830 3.118 3.300 136 HB3 ARG 18 3HB ARG 18 15.629 1.554 3.301 137 HG2 ARG 18 2HG ARG 18 17.355 3.042 3.728 138 HG3 ARG 18 3HG ARG 18 17.561 2.576 2.042 139 HD2 ARG 18 2HD ARG 18 16.316 4.811 1.491 140 HD3 ARG 18 3HD ARG 18 16.533 5.191 3.190 141 HE ARG 18 HE ARG 18 18.828 5.480 2.848 142 HH11 ARG 18 1HH2 ARG 18 17.449 4.237 -0.163 143 HH12 ARG 18 2HH2 ARG 18 18.910 4.571 -1.046 144 HH21 ARG 18 1HH1 ARG 18 20.656 5.791 1.653 145 HH22 ARG 18 2HH1 ARG 18 20.724 5.301 -0.015 146 H ALA 19 H ALA 19 12.483 1.874 0.744 147 HA ALA 19 HA ALA 19 12.195 -0.921 1.596 148 HB1 ALA 19 1HB ALA 19 10.240 0.995 0.267 149 HB2 ALA 19 2HB ALA 19 9.856 -0.604 0.925 150 HB3 ALA 19 3HB ALA 19 10.384 0.687 2.017 151 H SER 20 H SER 20 11.634 -2.648 0.193 152 HA SER 20 HA SER 20 12.375 -2.309 -2.669 153 HB2 SER 20 2HB SER 20 13.289 -4.574 -2.651 154 HB3 SER 20 3HB SER 20 14.196 -3.439 -1.641 155 HG SER 20 HG SER 20 13.887 -5.417 -0.558 156 H CYS 21 HN CYS 21 11.063 -3.186 -4.158 157 HA CYS 21 HA CYS 21 8.346 -3.722 -3.262 158 HB2 CYS 21 2HB CYS 21 8.915 -2.302 -5.182 159 HB3 CYS 21 3HB CYS 21 9.604 -3.709 -6.017 160 H LYS 22 H LYS 22 7.750 -5.692 -2.566 161 HA LYS 22 HA LYS 22 9.316 -8.060 -3.118 162 HB2 LYS 22 2HB LYS 22 6.575 -8.075 -1.857 163 HB3 LYS 22 3HB LYS 22 7.866 -9.229 -1.623 164 HG2 LYS 22 2HG LYS 22 7.784 -6.350 -0.670 165 HG3 LYS 22 3HG LYS 22 7.502 -7.752 0.324 166 HD2 LYS 22 2HD LYS 22 10.152 -7.043 -1.011 167 HD3 LYS 22 3HD LYS 22 9.730 -6.772 0.687 168 HE2 LYS 22 2HE LYS 22 9.429 -9.210 1.020 169 HE3 LYS 22 3HE LYS 22 9.863 -9.501 -0.671 170 HZ1 LYS 22 3HZ LYS 22 12.055 -8.534 -0.205 171 HZ2 LYS 22 1HZ LYS 22 11.655 -8.271 1.357 172 HZ3 LYS 22 2HZ LYS 22 11.779 -9.798 0.791 173 H LYS 23 H LYS 23 7.105 -6.657 -5.127 174 HA LYS 23 HA LYS 23 6.148 -9.228 -6.330 175 HB2 LYS 23 2HB LYS 23 4.367 -7.735 -5.720 176 HB3 LYS 23 3HB LYS 23 5.142 -6.386 -6.546 177 HG2 LYS 23 2HG LYS 23 3.223 -7.234 -7.793 178 HG3 LYS 23 3HG LYS 23 4.706 -7.390 -8.727 179 HD2 LYS 23 2HD LYS 23 4.805 -9.810 -8.232 180 HD3 LYS 23 3HD LYS 23 3.381 -9.669 -7.182 181 HE2 LYS 23 2HE LYS 23 2.043 -8.879 -9.113 182 HE3 LYS 23 3HE LYS 23 3.459 -9.023 -10.163 183 HZ1 LYS 23 3HZ LYS 23 3.464 -11.420 -9.717 184 HZ2 LYS 23 1HZ LYS 23 2.159 -11.287 -8.736 185 HZ3 LYS 23 2HZ LYS 23 2.016 -10.972 -10.327 186 H CYS 24 HN CYS 24 7.413 -6.038 -7.477 187 HA CYS 24 HA CYS 24 8.245 -7.425 -9.958 188 HB2 CYS 24 2HB CYS 24 8.249 -5.428 -11.085 189 HB3 CYS 24 3HB CYS 24 6.774 -5.454 -10.127 190 H SER 25 H SER 25 9.729 -6.834 -7.102 191 HA SER 25 HA SER 25 11.811 -6.996 -6.337 192 HB2 SER 25 2HB SER 25 12.526 -8.175 -9.029 193 HB3 SER 25 3HB SER 25 13.462 -8.313 -7.532 194 HG SER 25 HG SER 25 12.117 -10.144 -7.896 195 H GLU 26 H GLU 26 11.093 -4.512 -7.887 196 HA GLU 26 HA GLU 26 13.808 -3.309 -8.226 197 HB2 GLU 26 2HB GLU 26 11.037 -2.141 -8.644 198 HB3 GLU 26 3HB GLU 26 12.548 -1.310 -8.976 199 HG2 GLU 26 2HG GLU 26 11.672 -3.840 -10.438 200 HG3 GLU 26 3HG GLU 26 11.321 -2.209 -10.970 201 H SER 27 H SER 27 13.547 -0.828 -7.182 202 HA SER 27 HA SER 27 12.720 -1.223 -4.342 203 HB2 SER 27 2HB SER 27 15.107 0.382 -5.226 204 HB3 SER 27 3HB SER 27 14.500 0.122 -3.568 205 HG SER 27 HG SER 27 16.256 -1.290 -4.138 206 H ILE 28 H ILE 28 11.862 0.499 -3.212 207 HA ILE 28 HA ILE 28 10.191 2.074 -5.040 208 HB ILE 28 HB ILE 28 9.918 1.646 -2.052 209 HG12 ILE 28 2HG1 ILE 28 8.525 0.132 -4.313 210 HG13 ILE 28 3HG1 ILE 28 9.842 -0.518 -3.336 211 HG21 ILE 28 1HG2 ILE 28 7.586 2.361 -2.421 212 HG22 ILE 28 2HG2 ILE 28 8.668 3.637 -2.954 213 HG23 ILE 28 3HG2 ILE 28 7.883 2.581 -4.148 214 HD11 ILE 28 3HD1 ILE 28 7.077 0.185 -2.331 215 HD12 ILE 28 1HD1 ILE 28 7.850 -1.404 -2.444 216 HD13 ILE 28 2HD1 ILE 28 8.460 -0.214 -1.282 217 HA PRO 29 HA PRO 29 12.691 5.676 -4.043 218 HB2 PRO 29 2HB PRO 29 11.399 7.619 -5.462 219 HB3 PRO 29 3HB PRO 29 12.332 6.306 -6.237 220 HG2 PRO 29 2HG PRO 29 9.344 6.432 -5.757 221 HG3 PRO 29 3HG PRO 29 10.196 6.024 -7.276 222 HD2 PRO 29 2HD PRO 29 9.249 4.112 -5.577 223 HD3 PRO 29 3HD PRO 29 10.776 3.883 -6.479 224 H LYS 30 H LYS 30 12.664 7.658 -2.910 225 HA LYS 30 HA LYS 30 10.873 7.974 -0.672 226 HB2 LYS 30 2HB LYS 30 13.273 8.667 -0.745 227 HB3 LYS 30 3HB LYS 30 12.877 9.892 -1.947 228 HG2 LYS 30 2HG LYS 30 11.484 11.095 -0.302 229 HG3 LYS 30 3HG LYS 30 11.795 9.836 0.906 230 HD2 LYS 30 2HD LYS 30 14.246 10.381 0.794 231 HD3 LYS 30 3HD LYS 30 13.897 11.581 -0.454 232 HE2 LYS 30 2HE LYS 30 14.085 12.897 1.440 233 HE3 LYS 30 3HE LYS 30 12.341 12.718 1.255 234 HZ1 LYS 30 3HZ LYS 30 14.059 11.175 3.135 235 HZ2 LYS 30 1HZ LYS 30 13.028 12.365 3.552 236 HZ3 LYS 30 2HZ LYS 30 12.446 10.949 2.986 237 H ASP 31 H ASP 31 9.324 9.564 -0.257 238 HA ASP 31 HA ASP 31 7.488 10.776 -0.671 239 HB2 ASP 31 2HB ASP 31 9.347 12.417 -0.794 240 HB3 ASP 31 3HB ASP 31 9.307 12.306 -2.553 241 H SER 32 H SER 32 7.345 8.436 -2.060 242 HA SER 32 HA SER 32 5.499 9.126 -4.275 243 HB2 SER 32 2HB SER 32 7.720 8.375 -5.205 244 HB3 SER 32 3HB SER 32 7.466 6.815 -4.391 245 HG SER 32 HG SER 32 6.719 6.891 -6.618 246 H LEU 33 H LEU 33 4.020 7.239 -4.720 247 HA LEU 33 HA LEU 33 2.855 6.636 -2.106 248 HB2 LEU 33 2HB LEU 33 1.553 7.713 -3.942 249 HB3 LEU 33 3HB LEU 33 1.770 6.261 -4.920 250 HG LEU 33 HG LEU 33 0.537 4.961 -3.135 251 HD11 LEU 33 1HD1 LEU 33 -0.921 6.227 -1.592 252 HD12 LEU 33 2HD1 LEU 33 0.785 6.463 -1.216 253 HD13 LEU 33 3HD1 LEU 33 -0.110 7.736 -2.068 254 HD21 LEU 33 3HD2 LEU 33 -0.978 7.292 -4.375 255 HD22 LEU 33 1HD2 LEU 33 -0.576 5.767 -5.199 256 HD23 LEU 33 2HD2 LEU 33 -1.679 5.755 -3.811 257 H ARG 34 H ARG 34 2.846 4.719 -1.119 258 HA ARG 34 HA ARG 34 3.348 2.210 -2.615 259 HB2 ARG 34 2HB ARG 34 5.147 1.526 -1.181 260 HB3 ARG 34 3HB ARG 34 5.541 3.052 -1.968 261 HG2 ARG 34 2HG ARG 34 5.111 4.282 0.131 262 HG3 ARG 34 3HG ARG 34 4.639 2.767 0.931 263 HD2 ARG 34 2HD ARG 34 6.910 1.831 0.447 264 HD3 ARG 34 3HD ARG 34 7.361 3.373 -0.294 265 HE ARG 34 HE ARG 34 6.419 3.576 2.498 266 HH11 ARG 34 1HH2 ARG 34 9.323 3.214 0.554 267 HH12 ARG 34 2HH2 ARG 34 10.332 3.845 1.826 268 HH21 ARG 34 1HH1 ARG 34 7.667 4.181 4.017 269 HH22 ARG 34 2HH1 ARG 34 9.428 4.079 3.900 270 H MET 35 H MET 35 2.995 0.312 -1.402 271 HA MET 35 HA MET 35 1.130 0.536 0.879 272 HB2 MET 35 2HB MET 35 0.696 -1.038 -1.690 273 HB3 MET 35 3HB MET 35 -0.152 -1.419 -0.180 274 HG2 MET 35 2HG MET 35 -1.019 0.886 -0.090 275 HG3 MET 35 3HG MET 35 -0.241 1.239 -1.637 276 HE1 MET 35 3HE MET 35 -2.531 -1.743 -0.203 277 HE2 MET 35 1HE MET 35 -3.255 -0.187 0.266 278 HE3 MET 35 2HE MET 35 -4.084 -1.222 -0.914 279 H ALA 36 H ALA 36 0.908 -1.460 2.098 280 HA ALA 36 HA ALA 36 3.121 -3.364 1.817 281 HB1 ALA 36 1HB ALA 36 2.885 -1.512 4.198 282 HB2 ALA 36 2HB ALA 36 3.894 -2.979 4.177 283 HB3 ALA 36 3HB ALA 36 4.212 -1.657 3.052 284 H ILE 37 H ILE 37 3.042 -5.128 3.432 285 HA ILE 37 HA ILE 37 0.276 -5.692 4.405 286 HB ILE 37 HB ILE 37 1.983 -7.119 2.452 287 HG12 ILE 37 2HG1 ILE 37 -0.976 -7.327 3.112 288 HG13 ILE 37 3HG1 ILE 37 -0.285 -6.032 2.127 289 HG21 ILE 37 1HG2 ILE 37 0.536 -8.783 4.532 290 HG22 ILE 37 2HG2 ILE 37 1.278 -9.361 3.007 291 HG23 ILE 37 3HG2 ILE 37 2.299 -8.695 4.276 292 HD11 ILE 37 3HD1 ILE 37 -0.301 -8.987 1.435 293 HD12 ILE 37 1HD1 ILE 37 -1.228 -7.679 0.673 294 HD13 ILE 37 2HD1 ILE 37 0.534 -7.725 0.495 295 H MET 38 H MET 38 0.072 -6.558 6.396 296 HA MET 38 HA MET 38 2.560 -6.741 7.985 297 HB2 MET 38 2HB MET 38 0.404 -5.371 8.545 298 HB3 MET 38 3HB MET 38 -0.247 -6.924 9.076 299 HG2 MET 38 2HG MET 38 0.580 -6.243 11.048 300 HG3 MET 38 3HG MET 38 2.065 -6.974 10.442 301 HE1 MET 38 3HE MET 38 3.986 -5.617 9.333 302 HE2 MET 38 1HE MET 38 2.964 -4.676 8.225 303 HE3 MET 38 2HE MET 38 4.126 -3.844 9.291 304 H VAL 39 H VAL 39 3.578 -8.591 8.061 305 HA VAL 39 HA VAL 39 2.021 -11.103 8.575 306 HB VAL 39 HB VAL 39 2.604 -10.967 6.205 307 HG11 VAL 39 1HG1 VAL 39 4.701 -9.650 6.337 308 HG12 VAL 39 2HG1 VAL 39 5.524 -11.040 7.070 309 HG13 VAL 39 3HG1 VAL 39 4.885 -11.148 5.417 310 HG21 VAL 39 3HG2 VAL 39 4.210 -13.162 7.527 311 HG22 VAL 39 1HG2 VAL 39 2.439 -13.168 7.320 312 HG23 VAL 39 2HG2 VAL 39 3.504 -13.146 5.909 313 H GLN 40 H GLN 40 3.054 -12.723 9.753 314 HA GLN 40 HA GLN 40 5.079 -11.861 11.677 315 HB2 GLN 40 2HB GLN 40 4.892 -14.297 12.406 316 HB3 GLN 40 3HB GLN 40 3.491 -13.248 12.631 317 HG2 GLN 40 2HG GLN 40 2.357 -14.185 10.704 318 HG3 GLN 40 3HG GLN 40 3.776 -15.125 10.249 319 HE21 GLN 40 2HE2 GLN 40 1.802 -16.770 10.343 320 HE22 GLN 40 1HE2 GLN 40 1.650 -17.606 11.882 321 H SER 41 H SER 41 7.223 -12.144 11.603 322 HA SER 41 HA SER 41 8.295 -12.817 9.011 323 HB2 SER 41 2HB SER 41 9.032 -10.887 10.431 324 HB3 SER 41 3HB SER 41 9.880 -12.065 11.454 325 HG SER 41 HG SER 41 10.984 -11.015 9.510 326 HA PRO 42 HA PRO 42 10.153 -16.760 9.959 327 HB2 PRO 42 2HB PRO 42 11.774 -16.061 7.514 328 HB3 PRO 42 3HB PRO 42 10.972 -17.607 7.924 329 HG2 PRO 42 2HG PRO 42 9.868 -15.918 6.103 330 HG3 PRO 42 3HG PRO 42 8.831 -16.746 7.315 331 HD2 PRO 42 2HD PRO 42 9.920 -13.911 7.409 332 HD3 PRO 42 3HD PRO 42 8.264 -14.503 7.745 333 H MET 43 H MET 43 11.657 -13.629 9.756 334 HA MET 43 HA MET 43 14.178 -14.644 10.996 335 HB2 MET 43 2HB MET 43 15.485 -13.285 9.633 336 HB3 MET 43 3HB MET 43 14.335 -14.108 8.591 337 HG2 MET 43 2HG MET 43 13.017 -11.731 9.136 338 HG3 MET 43 3HG MET 43 14.695 -11.222 9.171 339 HE1 MET 43 3HE MET 43 12.413 -13.060 5.587 340 HE2 MET 43 1HE MET 43 12.690 -13.913 7.126 341 HE3 MET 43 2HE MET 43 11.670 -12.462 7.089 342 H PHE 44 H PHE 44 11.612 -12.918 11.912 343 HA PHE 44 HA PHE 44 13.149 -11.278 13.837 344 HB2 PHE 44 2HB PHE 44 12.676 -9.725 12.028 345 HB3 PHE 44 3HB PHE 44 10.984 -10.182 12.008 346 HD1 PHE 44 HD2 PHE 44 13.600 -8.643 14.217 347 HD2 PHE 44 HD1 PHE 44 9.396 -9.028 13.328 348 HE1 PHE 44 HE2 PHE 44 13.077 -6.889 15.901 349 HE2 PHE 44 HE1 PHE 44 8.880 -7.267 14.998 350 HZ PHE 44 HZ PHE 44 10.719 -6.203 16.294 351 H ASP 45 H ASP 45 11.905 -10.621 15.673 352 HA ASP 45 HA ASP 45 10.263 -12.888 16.589 353 HB2 ASP 45 2HB ASP 45 11.617 -10.625 18.098 354 HB3 ASP 45 3HB ASP 45 10.747 -11.966 18.845 355 H GLY 46 H GLY 46 8.711 -11.504 14.859 356 HA2 GLY 46 2HA GLY 46 6.329 -10.834 16.102 357 HA3 GLY 46 3HA GLY 46 7.240 -9.322 16.026 358 H LYS 47 H LYS 47 5.844 -8.371 14.608 359 HA LYS 47 HA LYS 47 5.255 -9.611 11.981 360 HB2 LYS 47 2HB LYS 47 4.036 -7.265 13.468 361 HB3 LYS 47 3HB LYS 47 3.455 -7.871 11.924 362 HG2 LYS 47 2HG LYS 47 3.600 -9.674 14.391 363 HG3 LYS 47 3HG LYS 47 2.245 -8.579 14.155 364 HD2 LYS 47 2HD LYS 47 3.096 -10.719 12.192 365 HD3 LYS 47 3HD LYS 47 1.876 -10.962 13.426 366 HE2 LYS 47 2HE LYS 47 1.682 -8.879 11.205 367 HE3 LYS 47 3HE LYS 47 0.984 -10.497 11.128 368 HZ1 LYS 47 3HZ LYS 47 0.182 -8.355 13.038 369 HZ2 LYS 47 1HZ LYS 47 -0.718 -9.022 11.859 370 HZ3 LYS 47 2HZ LYS 47 -0.317 -9.915 13.159 371 H VAL 48 H VAL 48 5.714 -8.643 10.077 372 HA VAL 48 HA VAL 48 7.383 -6.185 10.082 373 HB VAL 48 HB VAL 48 8.807 -7.218 8.330 374 HG11 VAL 48 1HG1 VAL 48 10.203 -8.500 9.886 375 HG12 VAL 48 2HG1 VAL 48 9.534 -7.078 10.699 376 HG13 VAL 48 3HG1 VAL 48 8.843 -8.680 11.008 377 HG21 VAL 48 3HG2 VAL 48 7.500 -9.848 9.134 378 HG22 VAL 48 1HG2 VAL 48 7.376 -9.056 7.552 379 HG23 VAL 48 2HG2 VAL 48 8.940 -9.658 8.114 380 HA PRO 49 HA PRO 49 4.728 -5.187 6.638 381 HB2 PRO 49 2HB PRO 49 5.850 -2.872 5.736 382 HB3 PRO 49 3HB PRO 49 5.028 -2.986 7.319 383 HG2 PRO 49 2HG PRO 49 8.003 -3.133 6.743 384 HG3 PRO 49 3HG PRO 49 7.163 -2.191 8.013 385 HD2 PRO 49 2HD PRO 49 8.333 -4.651 8.457 386 HD3 PRO 49 3HD PRO 49 6.898 -4.078 9.360 387 H HIS 50 H HIS 50 4.652 -6.148 4.682 388 HA HIS 50 HA HIS 50 7.092 -6.409 2.965 389 HB2 HIS 50 2HB HIS 50 4.346 -7.699 2.937 390 HB3 HIS 50 3HB HIS 50 5.422 -7.758 1.545 391 HD2 HIS 50 HD2 HIS 50 6.994 -8.041 5.009 392 HE1 HIS 50 HE1 HIS 50 7.029 -11.971 3.357 393 HE2 HIS 50 HE2 HIS 50 7.899 -10.515 5.256 394 H TRP 51 H TRP 51 7.496 -4.448 2.115 395 HA TRP 51 HA TRP 51 5.398 -2.654 1.245 396 HB2 TRP 51 2HB TRP 51 8.416 -2.580 0.893 397 HB3 TRP 51 3HB TRP 51 7.310 -1.280 0.465 398 HD1 TRP 51 HD1 TRP 51 9.166 -2.698 3.396 399 HE1 TRP 51 HE1 TRP 51 8.711 -1.299 5.498 400 HE3 TRP 51 HE3 TRP 51 5.354 0.216 1.613 401 HZ2 TRP 51 HZ2 TRP 51 6.771 0.661 6.370 402 HZ3 TRP 51 HZ3 TRP 51 4.157 1.767 3.128 403 HH2 TRP 51 HH2 TRP 51 4.858 2.007 5.507 404 H TYR 52 H TYR 52 4.691 -2.186 -0.795 405 HA TYR 52 HA TYR 52 6.222 -3.078 -3.145 406 HB2 TYR 52 2HB TYR 52 3.286 -3.468 -3.392 407 HB3 TYR 52 3HB TYR 52 4.650 -4.248 -4.195 408 HD1 TYR 52 HD1 TYR 52 2.939 -4.240 -0.805 409 HD2 TYR 52 HD2 TYR 52 4.986 -6.455 -3.879 410 HE1 TYR 52 HE1 TYR 52 2.414 -6.383 0.379 411 HE2 TYR 52 HE2 TYR 52 4.407 -8.587 -2.729 412 HH TYR 52 HH TYR 52 2.600 -8.670 0.349 413 H HIS 53 H HIS 53 5.580 -1.874 -5.096 414 HA HIS 53 HA HIS 53 4.894 0.911 -4.726 415 HB2 HIS 53 2HB HIS 53 4.502 -0.800 -7.211 416 HB3 HIS 53 3HB HIS 53 4.434 0.938 -7.154 417 HD2 HIS 53 HD2 HIS 53 6.756 2.279 -6.523 418 HE1 HIS 53 HE1 HIS 53 9.293 -0.733 -8.148 419 HE2 HIS 53 HE2 HIS 53 9.161 1.700 -7.431 420 H PHE 54 H PHE 54 2.897 2.027 -5.355 421 HA PHE 54 HA PHE 54 0.557 1.123 -4.161 422 HB2 PHE 54 2HB PHE 54 0.733 3.408 -4.717 423 HB3 PHE 54 3HB PHE 54 1.059 3.081 -6.412 424 HD1 PHE 54 HD2 PHE 54 -1.677 2.869 -3.817 425 HD2 PHE 54 HD1 PHE 54 -0.672 2.943 -8.018 426 HE1 PHE 54 HE2 PHE 54 -4.094 2.948 -4.412 427 HE2 PHE 54 HE1 PHE 54 -3.087 2.986 -8.589 428 HZ PHE 54 HZ PHE 54 -4.789 2.944 -6.789 429 H SER 55 H SER 55 1.432 0.622 -7.652 430 HA SER 55 HA SER 55 -1.114 -0.676 -8.244 431 HB2 SER 55 2HB SER 55 -0.086 -1.070 -10.454 432 HB3 SER 55 3HB SER 55 -0.040 0.630 -9.950 433 HG SER 55 HG SER 55 1.981 0.077 -10.749 434 H CYS 56 HN CYS 56 2.231 -1.723 -7.592 435 HA CYS 56 HA CYS 56 2.027 -4.398 -8.248 436 HB2 CYS 56 2HB CYS 56 3.709 -2.951 -6.209 437 HB3 CYS 56 3HB CYS 56 3.948 -4.639 -6.645 438 H PHE 57 H PHE 57 1.038 -2.928 -5.177 439 HA PHE 57 HA PHE 57 0.420 -5.216 -3.640 440 HB2 PHE 57 2HB PHE 57 0.298 -2.948 -2.822 441 HB3 PHE 57 3HB PHE 57 -1.024 -2.562 -3.920 442 HD1 PHE 57 HD2 PHE 57 -3.252 -3.727 -3.653 443 HD2 PHE 57 HD1 PHE 57 -0.126 -4.043 -0.705 444 HE1 PHE 57 HE2 PHE 57 -4.910 -4.517 -1.995 445 HE2 PHE 57 HE1 PHE 57 -1.800 -4.773 0.976 446 HZ PHE 57 HZ PHE 57 -4.194 -5.024 0.331 447 H TRP 58 H TRP 58 -1.582 -3.652 -6.194 448 HA TRP 58 HA TRP 58 -3.732 -5.606 -5.898 449 HB2 TRP 58 2HB TRP 58 -3.384 -3.584 -8.113 450 HB3 TRP 58 3HB TRP 58 -4.854 -4.385 -7.565 451 HD1 TRP 58 HD1 TRP 58 -2.578 -1.496 -6.869 452 HE1 TRP 58 HE1 TRP 58 -3.411 -0.024 -4.961 453 HE3 TRP 58 HE3 TRP 58 -6.545 -4.360 -5.341 454 HZ2 TRP 58 HZ2 TRP 58 -5.607 -0.041 -3.041 455 HZ3 TRP 58 HZ3 TRP 58 -7.970 -3.603 -3.478 456 HH2 TRP 58 HH2 TRP 58 -7.477 -1.463 -2.303 457 H LYS 59 H LYS 59 -0.845 -5.334 -7.882 458 HA LYS 59 HA LYS 59 -1.614 -7.427 -9.800 459 HB2 LYS 59 2HB LYS 59 1.072 -6.167 -9.159 460 HB3 LYS 59 3HB LYS 59 0.801 -7.351 -10.437 461 HG2 LYS 59 2HG LYS 59 -0.784 -5.861 -11.574 462 HG3 LYS 59 3HG LYS 59 -0.580 -4.636 -10.325 463 HD2 LYS 59 2HD LYS 59 1.612 -5.613 -12.213 464 HD3 LYS 59 3HD LYS 59 0.706 -4.092 -12.350 465 HE2 LYS 59 2HE LYS 59 1.521 -3.467 -10.049 466 HE3 LYS 59 3HE LYS 59 2.529 -4.916 -10.052 467 HZ1 LYS 59 3HZ LYS 59 2.822 -2.608 -11.875 468 HZ2 LYS 59 1HZ LYS 59 3.799 -3.046 -10.627 469 HZ3 LYS 59 2HZ LYS 59 3.716 -3.988 -11.969 470 H VAL 60 H VAL 60 -0.362 -7.422 -6.534 471 HA VAL 60 HA VAL 60 0.394 -10.266 -6.580 472 HB VAL 60 HB VAL 60 -0.283 -8.399 -4.293 473 HG11 VAL 60 1HG1 VAL 60 0.924 -11.192 -4.175 474 HG12 VAL 60 2HG1 VAL 60 0.885 -10.033 -2.827 475 HG13 VAL 60 3HG1 VAL 60 -0.623 -10.680 -3.471 476 HG21 VAL 60 3HG2 VAL 60 1.832 -7.940 -5.659 477 HG22 VAL 60 1HG2 VAL 60 2.053 -8.212 -3.936 478 HG23 VAL 60 2HG2 VAL 60 2.429 -9.507 -5.091 479 H GLY 61 H GLY 61 -2.635 -8.609 -6.656 480 HA2 GLY 61 2HA GLY 61 -4.622 -9.671 -7.248 481 HA3 GLY 61 3HA GLY 61 -4.067 -11.193 -6.561 482 H HIS 62 H HIS 62 -3.662 -8.533 -4.389 483 HA HIS 62 HA HIS 62 -5.777 -9.463 -2.607 484 HB2 HIS 62 2HB HIS 62 -3.870 -7.105 -2.503 485 HB3 HIS 62 3HB HIS 62 -5.095 -7.414 -1.271 486 HD2 HIS 62 HD2 HIS 62 -1.706 -8.639 -2.474 487 HE1 HIS 62 HE1 HIS 62 -2.699 -11.070 0.886 488 HE2 HIS 62 HE2 HIS 62 -0.871 -10.485 -0.781 489 H SER 63 H SER 63 -7.602 -8.381 -1.928 490 HA SER 63 HA SER 63 -8.506 -5.934 -3.306 491 HB2 SER 63 2HB SER 63 -9.425 -7.873 -4.619 492 HB3 SER 63 3HB SER 63 -10.267 -8.407 -3.144 493 HG SER 63 HG SER 63 -11.597 -7.073 -4.469 494 H ILE 64 H ILE 64 -9.765 -4.655 -1.975 495 HA ILE 64 HA ILE 64 -9.540 -5.454 0.900 496 HB ILE 64 HB ILE 64 -9.238 -2.674 -0.265 497 HG12 ILE 64 2HG1 ILE 64 -7.057 -4.704 0.366 498 HG13 ILE 64 3HG1 ILE 64 -7.438 -4.009 -1.199 499 HG21 ILE 64 1HG2 ILE 64 -8.496 -3.863 2.441 500 HG22 ILE 64 2HG2 ILE 64 -8.226 -2.192 1.928 501 HG23 ILE 64 3HG2 ILE 64 -9.875 -2.791 2.126 502 HD11 ILE 64 3HD1 ILE 64 -6.101 -2.674 1.140 503 HD12 ILE 64 1HD1 ILE 64 -5.590 -2.777 -0.545 504 HD13 ILE 64 2HD1 ILE 64 -6.922 -1.703 -0.113 505 H ARG 65 H ARG 65 -11.284 -5.480 2.056 506 HA ARG 65 HA ARG 65 -13.821 -4.857 0.683 507 HB2 ARG 65 2HB ARG 65 -14.761 -6.276 2.636 508 HB3 ARG 65 3HB ARG 65 -13.887 -7.053 1.333 509 HG2 ARG 65 2HG ARG 65 -12.407 -6.260 3.847 510 HG3 ARG 65 3HG ARG 65 -13.410 -7.704 3.845 511 HD2 ARG 65 2HD ARG 65 -12.076 -8.875 2.365 512 HD3 ARG 65 3HD ARG 65 -11.437 -7.434 1.583 513 HE ARG 65 HE ARG 65 -10.579 -7.502 4.331 514 HH11 ARG 65 1HH2 ARG 65 -9.539 -8.526 1.121 515 HH12 ARG 65 2HH2 ARG 65 -7.938 -8.798 1.723 516 HH21 ARG 65 1HH1 ARG 65 -8.642 -7.828 4.894 517 HH22 ARG 65 2HH1 ARG 65 -7.421 -8.483 3.792 518 H HIS 66 H HIS 66 -12.050 -3.592 3.300 519 HA HIS 66 HA HIS 66 -13.786 -1.270 3.395 520 HB2 HIS 66 2HB HIS 66 -13.919 -1.227 5.904 521 HB3 HIS 66 3HB HIS 66 -15.040 -2.250 5.035 522 HD2 HIS 66 HD2 HIS 66 -11.923 -4.242 5.324 523 HE1 HIS 66 HE1 HIS 66 -14.165 -5.233 8.804 524 HE2 HIS 66 HE2 HIS 66 -12.181 -5.899 7.348 525 HA PRO 67 HA PRO 67 -9.283 -0.863 3.443 526 HB2 PRO 67 2HB PRO 67 -8.991 1.413 1.871 527 HB3 PRO 67 3HB PRO 67 -9.255 -0.228 1.207 528 HG2 PRO 67 2HG PRO 67 -11.330 1.897 1.786 529 HG3 PRO 67 3HG PRO 67 -11.119 0.949 0.275 530 HD2 PRO 67 2HD PRO 67 -12.952 0.232 2.100 531 HD3 PRO 67 3HD PRO 67 -11.946 -1.030 1.322 532 H ASP 68 H ASP 68 -11.508 1.776 4.344 533 HA ASP 68 HA ASP 68 -9.439 3.235 5.761 534 HB2 ASP 68 2HB ASP 68 -11.314 4.565 6.662 535 HB3 ASP 68 3HB ASP 68 -11.305 4.451 4.908 536 H VAL 69 H VAL 69 -10.914 0.295 6.435 537 HA VAL 69 HA VAL 69 -10.441 0.497 9.360 538 HB VAL 69 HB VAL 69 -11.701 -1.772 7.777 539 HG11 VAL 69 1HG1 VAL 69 -12.459 -2.572 9.988 540 HG12 VAL 69 2HG1 VAL 69 -10.700 -2.578 9.858 541 HG13 VAL 69 3HG1 VAL 69 -11.514 -1.287 10.776 542 HG21 VAL 69 3HG2 VAL 69 -13.008 0.385 9.490 543 HG22 VAL 69 1HG2 VAL 69 -13.167 0.202 7.730 544 HG23 VAL 69 2HG2 VAL 69 -13.832 -1.032 8.799 545 H GLU 70 H GLU 70 -9.489 -1.359 6.454 546 HA GLU 70 HA GLU 70 -7.471 -2.871 8.015 547 HB2 GLU 70 2HB GLU 70 -8.436 -3.038 5.125 548 HB3 GLU 70 3HB GLU 70 -7.231 -4.121 5.828 549 HG2 GLU 70 2HG GLU 70 -8.840 -4.919 7.492 550 HG3 GLU 70 3HG GLU 70 -10.078 -3.840 6.848 551 H VAL 71 H VAL 71 -7.351 -0.326 5.592 552 HA VAL 71 HA VAL 71 -4.410 -0.632 5.156 553 HB VAL 71 HB VAL 71 -6.234 1.429 3.946 554 HG11 VAL 71 1HG1 VAL 71 -3.757 1.787 4.077 555 HG12 VAL 71 2HG1 VAL 71 -3.519 0.252 3.218 556 HG13 VAL 71 3HG1 VAL 71 -4.391 1.591 2.419 557 HG21 VAL 71 3HG2 VAL 71 -7.010 -0.831 3.271 558 HG22 VAL 71 1HG2 VAL 71 -6.124 -0.069 1.941 559 HG23 VAL 71 2HG2 VAL 71 -5.343 -1.321 2.945 560 H ASP 72 H ASP 72 -3.538 -0.264 7.039 561 HA ASP 72 HA ASP 72 -3.852 2.091 8.672 562 HB2 ASP 72 2HB ASP 72 -2.874 0.078 9.469 563 HB3 ASP 72 3HB ASP 72 -1.665 0.049 8.187 564 H GLY 73 H GLY 73 -2.719 4.039 8.607 565 HA2 GLY 73 2HA GLY 73 -1.466 5.788 7.722 566 HA3 GLY 73 3HA GLY 73 -0.758 4.687 6.542 567 H PHE 74 H PHE 74 -4.040 4.267 6.132 568 HA PHE 74 HA PHE 74 -4.444 5.893 3.828 569 HB2 PHE 74 2HB PHE 74 -5.780 3.940 4.447 570 HB3 PHE 74 3HB PHE 74 -6.372 4.754 5.889 571 HD1 PHE 74 HD2 PHE 74 -6.516 4.666 2.173 572 HD2 PHE 74 HD1 PHE 74 -8.235 6.283 5.785 573 HE1 PHE 74 HE2 PHE 74 -8.511 5.414 0.895 574 HE2 PHE 74 HE1 PHE 74 -10.231 7.021 4.500 575 HZ PHE 74 HZ PHE 74 -10.383 6.559 2.069 576 H SER 75 H SER 75 -4.872 6.627 7.273 577 HA SER 75 HA SER 75 -5.982 9.269 6.949 578 HB2 SER 75 2HB SER 75 -4.448 8.108 9.299 579 HB3 SER 75 3HB SER 75 -5.526 9.517 9.323 580 HG SER 75 HG SER 75 -6.585 7.613 10.049 581 H GLU 76 H GLU 76 -2.772 8.166 6.386 582 HA GLU 76 HA GLU 76 -1.490 10.787 6.951 583 HB2 GLU 76 2HB GLU 76 -0.291 8.184 5.932 584 HB3 GLU 76 3HB GLU 76 0.592 9.641 6.354 585 HG2 GLU 76 2HG GLU 76 0.029 9.432 8.692 586 HG3 GLU 76 3HG GLU 76 -1.110 8.124 8.371 587 H LEU 77 H LEU 77 -3.138 9.274 4.392 588 HA LEU 77 HA LEU 77 -1.747 10.591 2.155 589 HB2 LEU 77 2HB LEU 77 -4.389 9.100 2.370 590 HB3 LEU 77 3HB LEU 77 -3.713 9.699 0.871 591 HG LEU 77 HG LEU 77 -2.508 7.512 2.605 592 HD11 LEU 77 1HD1 LEU 77 -4.549 6.822 1.442 593 HD12 LEU 77 2HD1 LEU 77 -3.968 7.525 -0.079 594 HD13 LEU 77 3HD1 LEU 77 -3.154 6.119 0.603 595 HD21 LEU 77 3HD2 LEU 77 -0.974 7.134 0.728 596 HD22 LEU 77 1HD2 LEU 77 -1.592 8.595 -0.080 597 HD23 LEU 77 2HD2 LEU 77 -0.722 8.709 1.476 598 H ARG 78 H ARG 78 -2.840 12.034 0.700 599 HA ARG 78 HA ARG 78 -4.705 13.998 1.891 600 HB2 ARG 78 2HB ARG 78 -3.259 13.731 -0.772 601 HB3 ARG 78 3HB ARG 78 -4.650 14.798 -0.658 602 HG2 ARG 78 2HG ARG 78 -2.244 15.018 1.199 603 HG3 ARG 78 3HG ARG 78 -2.429 15.921 -0.312 604 HD2 ARG 78 2HD ARG 78 -4.574 16.896 0.544 605 HD3 ARG 78 3HD ARG 78 -4.346 16.046 2.062 606 HE ARG 78 HE ARG 78 -2.669 17.520 2.708 607 HH11 ARG 78 1HH2 ARG 78 -3.478 18.275 -0.625 608 HH12 ARG 78 2HH2 ARG 78 -2.599 19.779 -0.583 609 HH21 ARG 78 1HH1 ARG 78 -1.572 19.442 2.678 610 HH22 ARG 78 2HH1 ARG 78 -1.551 20.413 1.236 611 H TRP 79 H TRP 79 -6.708 14.521 0.935 612 HA TRP 79 HA TRP 79 -8.519 12.421 0.826 613 HB2 TRP 79 2HB TRP 79 -9.614 14.322 1.299 614 HB3 TRP 79 3HB TRP 79 -8.552 15.321 0.327 615 HD1 TRP 79 HD1 TRP 79 -11.840 13.412 0.075 616 HE1 TRP 79 HE1 TRP 79 -13.033 14.063 -2.109 617 HE3 TRP 79 HE3 TRP 79 -8.108 16.143 -2.081 618 HZ2 TRP 79 HZ2 TRP 79 -12.443 15.616 -4.485 619 HZ3 TRP 79 HZ3 TRP 79 -8.410 17.161 -4.325 620 HH2 TRP 79 HH2 TRP 79 -10.578 16.914 -5.535 621 H ASP 80 H ASP 80 -6.847 13.904 -1.960 622 HA ASP 80 HA ASP 80 -8.424 12.569 -3.931 623 HB2 ASP 80 2HB ASP 80 -7.094 14.643 -4.310 624 HB3 ASP 80 3HB ASP 80 -5.621 13.669 -4.245 625 H ASP 81 H ASP 81 -5.657 11.461 -2.078 626 HA ASP 81 HA ASP 81 -5.195 9.126 -3.832 627 HB2 ASP 81 2HB ASP 81 -3.789 10.147 -1.349 628 HB3 ASP 81 3HB ASP 81 -3.450 8.583 -2.103 629 H GLN 82 H GLN 82 -6.564 9.987 -0.612 630 HA GLN 82 HA GLN 82 -7.344 7.391 0.205 631 HB2 GLN 82 2HB GLN 82 -8.624 10.129 0.553 632 HB3 GLN 82 3HB GLN 82 -9.299 8.678 1.283 633 HG2 GLN 82 2HG GLN 82 -7.231 8.270 2.520 634 HG3 GLN 82 3HG GLN 82 -6.474 9.680 1.773 635 HE21 GLN 82 2HE2 GLN 82 -6.547 9.507 4.515 636 HE22 GLN 82 1HE2 GLN 82 -7.665 10.734 5.131 637 H GLN 83 H GLN 83 -9.274 9.751 -1.809 638 HA GLN 83 HA GLN 83 -11.353 7.848 -2.226 639 HB2 GLN 83 2HB GLN 83 -12.319 9.364 -3.759 640 HB3 GLN 83 3HB GLN 83 -11.620 10.289 -2.429 641 HG2 GLN 83 2HG GLN 83 -9.637 10.775 -3.906 642 HG3 GLN 83 3HG GLN 83 -10.463 9.980 -5.241 643 HE21 GLN 83 2HE2 GLN 83 -9.734 12.624 -5.710 644 HE22 GLN 83 1HE2 GLN 83 -11.159 13.634 -5.550 645 H LYS 84 H LYS 84 -8.287 8.164 -3.927 646 HA LYS 84 HA LYS 84 -9.070 6.558 -6.238 647 HB2 LYS 84 2HB LYS 84 -7.550 8.381 -6.510 648 HB3 LYS 84 3HB LYS 84 -6.526 7.843 -5.191 649 HG2 LYS 84 2HG LYS 84 -6.896 6.073 -7.612 650 HG3 LYS 84 3HG LYS 84 -5.849 7.481 -7.719 651 HD2 LYS 84 2HD LYS 84 -5.561 5.226 -5.710 652 HD3 LYS 84 3HD LYS 84 -4.585 5.449 -7.167 653 HE2 LYS 84 2HE LYS 84 -4.646 7.212 -4.685 654 HE3 LYS 84 3HE LYS 84 -3.366 6.103 -5.153 655 HZ1 LYS 84 3HZ LYS 84 -2.823 7.499 -7.011 656 HZ2 LYS 84 1HZ LYS 84 -4.140 8.454 -6.796 657 HZ3 LYS 84 2HZ LYS 84 -2.948 8.485 -5.693 658 H VAL 85 H VAL 85 -7.324 6.120 -3.137 659 HA VAL 85 HA VAL 85 -6.744 3.298 -3.583 660 HB VAL 85 HB VAL 85 -6.959 4.973 -1.056 661 HG11 VAL 85 1HG1 VAL 85 -6.152 2.032 -1.257 662 HG12 VAL 85 2HG1 VAL 85 -5.876 3.074 0.152 663 HG13 VAL 85 3HG1 VAL 85 -7.527 2.698 -0.340 664 HG21 VAL 85 3HG2 VAL 85 -4.573 4.808 -0.993 665 HG22 VAL 85 1HG2 VAL 85 -4.536 3.582 -2.273 666 HG23 VAL 85 2HG2 VAL 85 -4.970 5.259 -2.653 667 H LYS 86 H LYS 86 -9.527 4.983 -2.000 668 HA LYS 86 HA LYS 86 -10.996 2.552 -1.521 669 HB2 LYS 86 2HB LYS 86 -12.023 5.405 -1.858 670 HB3 LYS 86 3HB LYS 86 -12.994 4.016 -1.370 671 HG2 LYS 86 2HG LYS 86 -11.065 3.733 0.475 672 HG3 LYS 86 3HG LYS 86 -10.798 5.427 0.138 673 HD2 LYS 86 2HD LYS 86 -12.222 5.211 2.068 674 HD3 LYS 86 3HD LYS 86 -13.170 5.924 0.748 675 HE2 LYS 86 2HE LYS 86 -14.264 3.814 0.315 676 HE3 LYS 86 3HE LYS 86 -13.124 2.949 1.359 677 HZ1 LYS 86 3HZ LYS 86 -15.357 3.413 2.373 678 HZ2 LYS 86 1HZ LYS 86 -14.097 3.880 3.280 679 HZ3 LYS 86 2HZ LYS 86 -14.972 4.999 2.435 680 H LYS 87 H LYS 87 -11.076 4.747 -4.390 681 HA LYS 87 HA LYS 87 -13.015 3.076 -5.771 682 HB2 LYS 87 2HB LYS 87 -11.261 5.377 -6.564 683 HB3 LYS 87 3HB LYS 87 -11.719 4.268 -7.839 684 HG2 LYS 87 2HG LYS 87 -13.340 6.052 -7.745 685 HG3 LYS 87 3HG LYS 87 -14.078 4.503 -7.345 686 HD2 LYS 87 2HD LYS 87 -13.891 5.165 -4.871 687 HD3 LYS 87 3HD LYS 87 -13.331 6.746 -5.424 688 HE2 LYS 87 2HE LYS 87 -15.663 6.892 -4.899 689 HE3 LYS 87 3HE LYS 87 -15.473 7.074 -6.646 690 HZ1 LYS 87 3HZ LYS 87 -17.302 5.530 -5.927 691 HZ2 LYS 87 1HZ LYS 87 -16.233 4.819 -6.936 692 HZ3 LYS 87 2HZ LYS 87 -16.177 4.487 -5.339 693 H THR 88 H THR 88 -9.448 2.924 -5.713 694 HA THR 88 HA THR 88 -9.263 0.777 -7.581 695 HB THR 88 HB THR 88 -7.339 1.445 -5.332 696 HG1 THR 88 1HG THR 88 -7.633 3.202 -6.655 697 HG21 THR 88 1HG2 THR 88 -7.034 0.005 -7.996 698 HG22 THR 88 2HG2 THR 88 -5.694 0.455 -6.917 699 HG23 THR 88 3HG2 THR 88 -6.891 -0.743 -6.396 700 H ALA 89 H ALA 89 -9.929 0.783 -4.072 701 HA ALA 89 HA ALA 89 -9.711 -2.080 -3.739 702 HB1 ALA 89 1HB ALA 89 -11.088 0.061 -2.073 703 HB2 ALA 89 2HB ALA 89 -10.731 -1.596 -1.570 704 HB3 ALA 89 3HB ALA 89 -9.399 -0.470 -1.907 705 H GLU 90 H GLU 90 -12.415 0.203 -4.406 706 HA GLU 90 HA GLU 90 -14.447 -1.822 -4.545 707 HB2 GLU 90 2HB GLU 90 -14.249 0.941 -5.811 708 HB3 GLU 90 3HB GLU 90 -15.670 -0.096 -5.956 709 HG2 GLU 90 2HG GLU 90 -15.892 -0.161 -3.491 710 HG3 GLU 90 3HG GLU 90 -14.530 0.944 -3.336 711 H ALA 91 H ALA 91 -12.216 -0.522 -6.961 712 HA ALA 91 HA ALA 91 -13.250 -1.987 -9.208 713 HB1 ALA 91 1HB ALA 91 -10.615 -0.537 -8.678 714 HB2 ALA 91 2HB ALA 91 -11.193 -1.063 -10.278 715 HB3 ALA 91 3HB ALA 91 -12.082 0.174 -9.360 716 H GLY 92 H GLY 92 -11.165 -2.966 -6.611 717 HA2 GLY 92 2HA GLY 92 -10.077 -4.942 -6.164 718 HA3 GLY 92 3HA GLY 92 -10.743 -5.647 -7.642 719 H GLY 93 H GLY 93 -8.776 -2.676 -7.539 720 HA2 GLY 93 2HA GLY 93 -6.389 -2.610 -7.979 721 HA3 GLY 93 3HA GLY 93 -6.550 -4.022 -9.023 722 H VAL 94 H VAL 94 -5.428 -1.460 -9.598 723 HA VAL 94 HA VAL 94 -6.860 -0.900 -12.122 724 HB VAL 94 HB VAL 94 -7.566 0.790 -10.373 725 HG11 VAL 94 1HG1 VAL 94 -6.122 2.618 -9.787 726 HG12 VAL 94 2HG1 VAL 94 -5.305 1.125 -9.307 727 HG13 VAL 94 3HG1 VAL 94 -4.791 1.984 -10.771 728 HG21 VAL 94 3HG2 VAL 94 -7.508 2.667 -11.888 729 HG22 VAL 94 1HG2 VAL 94 -6.188 1.945 -12.826 730 HG23 VAL 94 2HG2 VAL 94 -7.795 1.179 -12.801 731 H THR 95 H THR 95 -5.593 -0.271 -13.829 732 HA THR 95 HA THR 95 -2.680 0.137 -13.497 733 HB THR 95 HB THR 95 -2.202 -1.407 -15.383 734 HG1 THR 95 1HG THR 95 -3.759 -2.955 -15.910 735 HG21 THR 95 1HG2 THR 95 -1.891 -2.159 -13.018 736 HG22 THR 95 2HG2 THR 95 -3.520 -2.867 -13.057 737 HG23 THR 95 3HG2 THR 95 -2.252 -3.483 -14.139 738 H GLY 96 H GLY 96 -1.666 1.127 -15.355 739 HA2 GLY 96 2HA GLY 96 -2.860 1.922 -17.753 740 HA3 GLY 96 3HA GLY 96 -3.285 3.171 -16.580 741 H LYS 97 H LYS 97 -1.988 4.226 -18.469 742 HA LYS 97 HA LYS 97 0.937 4.166 -18.257 743 HB2 LYS 97 2HB LYS 97 -0.947 6.039 -19.746 744 HB3 LYS 97 3HB LYS 97 0.818 6.073 -19.860 745 HG2 LYS 97 2HG LYS 97 0.803 3.711 -20.674 746 HG3 LYS 97 3HG LYS 97 -0.964 3.734 -20.685 747 HD2 LYS 97 2HD LYS 97 0.840 5.573 -22.320 748 HD3 LYS 97 3HD LYS 97 0.031 4.119 -22.921 749 HE2 LYS 97 2HE LYS 97 -2.184 5.127 -22.373 750 HE3 LYS 97 3HE LYS 97 -1.371 6.599 -21.826 751 HZ1 LYS 97 3HZ LYS 97 -2.122 6.811 -24.122 752 HZ2 LYS 97 1HZ LYS 97 -0.493 6.875 -24.084 753 HZ3 LYS 97 2HZ LYS 97 -1.248 5.517 -24.591 754 H GLY 98 H GLY 98 2.289 5.829 -17.555 755 HA2 GLY 98 2HA GLY 98 1.616 8.300 -16.413 756 HA3 GLY 98 3HA GLY 98 1.544 7.126 -15.097 757 H GLN 99 H GLN 99 3.252 8.869 -14.511 758 HA GLN 99 HA GLN 99 5.935 8.602 -15.550 759 HB2 GLN 99 2HB GLN 99 4.919 9.790 -12.927 760 HB3 GLN 99 3HB GLN 99 6.555 9.920 -13.552 761 HG2 GLN 99 2HG GLN 99 5.615 11.958 -14.135 762 HG3 GLN 99 3HG GLN 99 5.596 11.042 -15.634 763 HE21 GLN 99 2HE2 GLN 99 3.989 12.930 -16.077 764 HE22 GLN 99 1HE2 GLN 99 2.312 12.610 -15.655 765 H ASP 100 H ASP 100 7.801 7.882 -14.322 766 HA ASP 100 HA ASP 100 7.337 5.615 -12.449 767 HB2 ASP 100 2HB ASP 100 8.764 4.174 -13.666 768 HB3 ASP 100 3HB ASP 100 7.562 4.779 -14.794 769 H GLY 101 H GLY 101 9.250 4.899 -11.288 770 HA2 GLY 101 2HA GLY 101 11.691 6.397 -11.184 771 HA3 GLY 101 3HA GLY 101 10.619 6.892 -9.869 772 H ILE 102 H ILE 102 13.079 5.739 -9.354 773 HA ILE 102 HA ILE 102 12.375 3.194 -8.025 774 HB ILE 102 HB ILE 102 13.282 2.723 -10.328 775 HG12 ILE 102 2HG1 ILE 102 14.803 1.599 -7.950 776 HG13 ILE 102 3HG1 ILE 102 13.247 1.058 -8.584 777 HG21 ILE 102 1HG2 ILE 102 15.980 3.595 -9.222 778 HG22 ILE 102 2HG2 ILE 102 15.610 2.991 -10.849 779 HG23 ILE 102 3HG2 ILE 102 15.005 4.567 -10.347 780 HD11 ILE 102 3HD1 ILE 102 14.372 0.442 -10.732 781 HD12 ILE 102 1HD1 ILE 102 15.938 0.844 -9.982 782 HD13 ILE 102 2HD1 ILE 102 14.952 -0.468 -9.320 783 H GLY 103 H GLY 103 13.506 2.760 -6.174 784 HA2 GLY 103 2HA GLY 103 15.020 4.883 -4.838 785 HA3 GLY 103 3HA GLY 103 14.715 3.255 -4.227 786 H SER 104 H SER 104 17.230 4.707 -4.122 787 HA SER 104 HA SER 104 19.005 2.771 -5.501 788 HB2 SER 104 2HB SER 104 18.753 4.779 -6.989 789 HB3 SER 104 3HB SER 104 19.446 5.772 -5.690 790 HG SER 104 HG SER 104 21.042 5.058 -7.185 791 H LYS 105 H LYS 105 21.156 2.704 -4.640 792 HA LYS 105 HA LYS 105 21.123 2.759 -1.744 793 HB2 LYS 105 2HB LYS 105 22.179 0.984 -3.095 794 HB3 LYS 105 3HB LYS 105 23.405 2.124 -3.661 795 HG2 LYS 105 2HG LYS 105 24.131 2.477 -1.284 796 HG3 LYS 105 3HG LYS 105 22.936 1.286 -0.757 797 HD2 LYS 105 2HD LYS 105 25.276 0.749 -2.645 798 HD3 LYS 105 3HD LYS 105 25.248 0.383 -0.915 799 HE2 LYS 105 2HE LYS 105 23.314 -1.149 -1.271 800 HE3 LYS 105 3HE LYS 105 23.378 -0.820 -3.007 801 HZ1 LYS 105 3HZ LYS 105 25.568 -2.068 -1.432 802 HZ2 LYS 105 1HZ LYS 105 24.572 -2.856 -2.455 803 HZ3 LYS 105 2HZ LYS 105 25.629 -1.758 -3.036 804 H ALA 106 H ALA 106 23.383 4.414 -4.012 805 HA ALA 106 HA ALA 106 23.542 6.813 -2.365 806 HB1 ALA 106 1HB ALA 106 25.074 5.164 -1.247 807 HB2 ALA 106 2HB ALA 106 25.939 4.951 -2.785 808 HB3 ALA 106 3HB ALA 106 25.960 6.519 -1.946 809 H GLU 107 H GLU 107 25.850 7.754 -3.482 810 HA GLU 107 HA GLU 107 25.084 8.580 -6.184 811 HB2 GLU 107 2HB GLU 107 27.568 9.165 -4.523 812 HB3 GLU 107 3HB GLU 107 27.205 9.884 -6.096 813 HG2 GLU 107 2HG GLU 107 25.108 10.854 -5.175 814 HG3 GLU 107 3HG GLU 107 25.503 10.194 -3.586 815 H LYS 108 H LYS 108 26.420 8.403 -8.063 816 HA LYS 108 HA LYS 108 28.248 6.050 -8.238 817 HB2 LYS 108 2HB LYS 108 25.933 6.685 -10.110 818 HB3 LYS 108 3HB LYS 108 27.190 5.479 -10.411 819 HG2 LYS 108 2HG LYS 108 26.515 4.280 -8.315 820 HG3 LYS 108 3HG LYS 108 25.169 5.411 -8.124 821 HD2 LYS 108 2HD LYS 108 25.595 3.546 -10.500 822 HD3 LYS 108 3HD LYS 108 24.486 3.265 -9.149 823 HE2 LYS 108 2HE LYS 108 23.245 5.344 -9.734 824 HE3 LYS 108 3HE LYS 108 24.328 5.600 -11.108 825 HZ1 LYS 108 3HZ LYS 108 22.540 3.253 -10.770 826 HZ2 LYS 108 1HZ LYS 108 22.285 4.494 -11.797 827 HZ3 LYS 108 2HZ LYS 108 23.545 3.488 -12.038 Start of MODEL 22 1 H1 MET 1 H1 MET 1 -4.125 -11.288 24.739 2 H2 MET 1 H2 MET 1 -3.682 -10.978 26.282 3 H3 MET 1 H3 MET 1 -2.749 -11.937 25.330 4 HA MET 1 HA MET 1 -3.237 -9.062 24.892 5 HB2 MET 1 2HB MET 1 -0.716 -10.493 25.848 6 HB3 MET 1 3HB MET 1 -0.778 -8.810 25.315 7 HG2 MET 1 2HG MET 1 -2.414 -8.292 27.102 8 HG3 MET 1 3HG MET 1 -2.294 -9.957 27.686 9 HE1 MET 1 1HE MET 1 -0.505 -7.922 30.505 10 HE2 MET 1 2HE MET 1 -1.910 -7.414 29.541 11 HE3 MET 1 3HE MET 1 -1.786 -9.091 30.119 12 H ALA 2 H ALA 2 -2.076 -8.114 23.113 13 HA ALA 2 HA ALA 2 -0.944 -9.915 21.064 14 HB1 ALA 2 1HB ALA 2 -3.379 -9.916 20.620 15 HB2 ALA 2 2HB ALA 2 -3.378 -8.138 20.575 16 HB3 ALA 2 3HB ALA 2 -2.498 -9.064 19.341 17 H GLU 3 H GLU 3 0.031 -8.742 19.271 18 HA GLU 3 HA GLU 3 1.504 -6.358 20.089 19 HB2 GLU 3 2HB GLU 3 2.484 -8.240 18.801 20 HB3 GLU 3 3HB GLU 3 1.420 -7.859 17.442 21 HG2 GLU 3 2HG GLU 3 2.522 -5.692 17.142 22 HG3 GLU 3 3HG GLU 3 3.457 -5.925 18.622 23 H SER 4 H SER 4 1.474 -4.293 19.074 24 HA SER 4 HA SER 4 -1.122 -3.268 18.385 25 HB2 SER 4 2HB SER 4 0.125 -1.137 18.074 26 HB3 SER 4 3HB SER 4 0.446 -1.939 19.622 27 HG SER 4 HG SER 4 2.378 -1.205 18.602 28 H SER 5 H SER 5 1.299 -4.685 16.396 29 HA SER 5 HA SER 5 0.431 -3.491 13.881 30 HB2 SER 5 2HB SER 5 2.196 -5.891 14.449 31 HB3 SER 5 3HB SER 5 1.936 -5.157 12.850 32 HG SER 5 HG SER 5 3.846 -4.380 13.894 33 H ASP 6 H ASP 6 -1.826 -4.098 14.933 34 HA ASP 6 HA ASP 6 -2.580 -6.827 14.448 35 HB2 ASP 6 2HB ASP 6 -3.198 -5.461 16.466 36 HB3 ASP 6 3HB ASP 6 -4.264 -4.502 15.445 37 H LYS 7 H LYS 7 -2.514 -4.344 12.340 38 HA LYS 7 HA LYS 7 -4.905 -4.860 10.734 39 HB2 LYS 7 2HB LYS 7 -3.802 -3.231 9.191 40 HB3 LYS 7 3HB LYS 7 -4.271 -2.605 10.755 41 HG2 LYS 7 2HG LYS 7 -1.498 -3.682 10.630 42 HG3 LYS 7 3HG LYS 7 -1.794 -2.300 9.573 43 HD2 LYS 7 2HD LYS 7 -2.606 -0.972 11.460 44 HD3 LYS 7 3HD LYS 7 -2.453 -2.346 12.557 45 HE2 LYS 7 2HE LYS 7 -0.049 -2.396 12.319 46 HE3 LYS 7 3HE LYS 7 -0.091 -1.241 10.983 47 HZ1 LYS 7 3HZ LYS 7 -0.843 0.467 12.464 48 HZ2 LYS 7 1HZ LYS 7 -0.928 -0.561 13.754 49 HZ3 LYS 7 2HZ LYS 7 0.521 -0.172 13.097 50 H LEU 8 H LEU 8 -4.551 -5.215 8.424 51 HA LEU 8 HA LEU 8 -2.497 -7.319 7.795 52 HB2 LEU 8 2HB LEU 8 -5.026 -6.385 6.361 53 HB3 LEU 8 3HB LEU 8 -4.018 -7.737 5.857 54 HG LEU 8 HG LEU 8 -5.619 -7.659 8.460 55 HD11 LEU 8 1HD1 LEU 8 -7.159 -9.143 7.263 56 HD12 LEU 8 2HD1 LEU 8 -7.008 -7.572 6.438 57 HD13 LEU 8 3HD1 LEU 8 -6.165 -8.997 5.786 58 HD21 LEU 8 3HD2 LEU 8 -3.670 -9.150 8.572 59 HD22 LEU 8 1HD2 LEU 8 -5.169 -10.092 8.467 60 HD23 LEU 8 2HD2 LEU 8 -4.134 -9.903 7.030 61 H TYR 9 H TYR 9 -3.337 -3.959 7.101 62 HA TYR 9 HA TYR 9 -1.633 -4.054 4.651 63 HB2 TYR 9 2HB TYR 9 -4.385 -2.813 4.874 64 HB3 TYR 9 3HB TYR 9 -3.367 -2.872 3.437 65 HD1 TYR 9 HD1 TYR 9 -2.556 -5.613 3.181 66 HD2 TYR 9 HD2 TYR 9 -6.322 -4.032 4.491 67 HE1 TYR 9 HE1 TYR 9 -3.660 -7.753 2.540 68 HE2 TYR 9 HE2 TYR 9 -7.434 -6.182 3.908 69 HH TYR 9 HH TYR 9 -5.596 -8.939 2.517 70 H ARG 10 H ARG 10 -0.822 -2.088 3.950 71 HA ARG 10 HA ARG 10 -0.917 0.248 5.774 72 HB2 ARG 10 2HB ARG 10 0.970 -0.966 6.591 73 HB3 ARG 10 3HB ARG 10 1.468 -1.424 4.980 74 HG2 ARG 10 2HG ARG 10 3.061 0.106 5.874 75 HG3 ARG 10 3HG ARG 10 2.260 0.873 4.513 76 HD2 ARG 10 2HD ARG 10 0.877 2.217 6.039 77 HD3 ARG 10 3HD ARG 10 1.491 1.314 7.434 78 HE ARG 10 HE ARG 10 3.445 2.833 5.791 79 HH11 ARG 10 1HH2 ARG 10 1.553 2.882 8.813 80 HH12 ARG 10 2HH2 ARG 10 2.579 4.131 9.453 81 HH21 ARG 10 1HH1 ARG 10 4.628 4.387 6.723 82 HH22 ARG 10 2HH1 ARG 10 4.252 4.946 8.342 83 H VAL 11 H VAL 11 -0.692 2.208 4.694 84 HA VAL 11 HA VAL 11 0.405 2.288 1.947 85 HB VAL 11 HB VAL 11 -2.130 2.129 1.910 86 HG11 VAL 11 1HG1 VAL 11 -2.051 5.050 2.772 87 HG12 VAL 11 2HG1 VAL 11 -3.470 4.071 2.361 88 HG13 VAL 11 3HG1 VAL 11 -2.528 3.731 3.829 89 HG21 VAL 11 3HG2 VAL 11 -0.700 3.115 0.016 90 HG22 VAL 11 1HG2 VAL 11 -2.344 3.760 0.096 91 HG23 VAL 11 2HG2 VAL 11 -0.969 4.705 0.709 92 H GLU 12 H GLU 12 1.560 4.179 1.492 93 HA GLU 12 HA GLU 12 1.271 6.525 3.211 94 HB2 GLU 12 2HB GLU 12 3.553 6.644 4.001 95 HB3 GLU 12 3HB GLU 12 2.846 5.133 4.554 96 HG2 GLU 12 2HG GLU 12 4.041 3.905 2.759 97 HG3 GLU 12 3HG GLU 12 4.709 5.420 2.148 98 H TYR 13 H TYR 13 2.241 8.372 2.539 99 HA TYR 13 HA TYR 13 3.418 8.601 -0.145 100 HB2 TYR 13 2HB TYR 13 3.343 10.482 2.245 101 HB3 TYR 13 3HB TYR 13 3.988 10.873 0.658 102 HD1 TYR 13 HD1 TYR 13 1.359 9.143 -0.556 103 HD2 TYR 13 HD2 TYR 13 2.036 12.584 1.964 104 HE1 TYR 13 HE1 TYR 13 -0.718 10.188 -1.421 105 HE2 TYR 13 HE2 TYR 13 -0.098 13.584 1.152 106 HH TYR 13 HH TYR 13 -1.975 12.125 -1.512 107 H ALA 14 H ALA 14 5.365 7.871 -0.545 108 HA ALA 14 HA ALA 14 6.946 6.563 1.388 109 HB1 ALA 14 1HB ALA 14 6.773 5.912 -0.977 110 HB2 ALA 14 2HB ALA 14 7.575 7.409 -1.470 111 HB3 ALA 14 3HB ALA 14 8.470 6.196 -0.534 112 H LYS 15 H LYS 15 8.213 7.397 2.879 113 HA LYS 15 HA LYS 15 9.315 10.109 2.710 114 HB2 LYS 15 2HB LYS 15 9.718 8.001 4.868 115 HB3 LYS 15 3HB LYS 15 10.008 9.732 5.008 116 HG2 LYS 15 2HG LYS 15 7.309 8.348 4.716 117 HG3 LYS 15 3HG LYS 15 7.964 9.131 6.148 118 HD2 LYS 15 2HD LYS 15 7.889 11.341 4.976 119 HD3 LYS 15 3HD LYS 15 7.249 10.542 3.536 120 HE2 LYS 15 2HE LYS 15 5.390 11.507 4.633 121 HE3 LYS 15 3HE LYS 15 5.278 9.758 4.838 122 HZ1 LYS 15 3HZ LYS 15 4.817 10.966 6.912 123 HZ2 LYS 15 1HZ LYS 15 6.147 10.044 7.107 124 HZ3 LYS 15 2HZ LYS 15 6.292 11.660 6.895 125 H SER 16 H SER 16 10.552 6.960 2.078 126 HA SER 16 HA SER 16 13.357 7.945 1.784 127 HB2 SER 16 2HB SER 16 14.092 5.890 3.001 128 HB3 SER 16 3HB SER 16 13.036 6.883 4.024 129 HG SER 16 HG SER 16 12.337 4.753 4.129 130 H GLY 17 H GLY 17 14.752 6.572 0.515 131 HA2 GLY 17 2HA GLY 17 13.474 5.003 -1.621 132 HA3 GLY 17 3HA GLY 17 15.196 5.317 -1.404 133 H ARG 18 H ARG 18 13.693 4.145 1.463 134 HA ARG 18 HA ARG 18 15.677 2.059 1.472 135 HB2 ARG 18 2HB ARG 18 15.048 3.708 3.334 136 HB3 ARG 18 3HB ARG 18 13.603 2.741 3.599 137 HG2 ARG 18 2HG ARG 18 15.243 2.131 5.245 138 HG3 ARG 18 3HG ARG 18 15.047 0.772 4.149 139 HD2 ARG 18 2HD ARG 18 17.385 1.029 4.620 140 HD3 ARG 18 3HD ARG 18 17.124 1.505 2.935 141 HE ARG 18 HE ARG 18 16.983 3.794 4.695 142 HH11 ARG 18 1HH2 ARG 18 19.385 1.670 3.280 143 HH12 ARG 18 2HH2 ARG 18 20.633 2.884 3.354 144 HH21 ARG 18 1HH1 ARG 18 18.621 5.297 4.751 145 HH22 ARG 18 2HH1 ARG 18 20.204 4.879 4.169 146 H ALA 19 H ALA 19 12.175 1.953 1.167 147 HA ALA 19 HA ALA 19 11.929 -0.857 1.844 148 HB1 ALA 19 1HB ALA 19 9.983 1.037 0.467 149 HB2 ALA 19 2HB ALA 19 9.603 -0.556 1.142 150 HB3 ALA 19 3HB ALA 19 10.101 0.757 2.223 151 H SER 20 H SER 20 11.423 -2.582 0.452 152 HA SER 20 HA SER 20 12.193 -2.241 -2.409 153 HB2 SER 20 2HB SER 20 12.984 -4.479 -0.548 154 HB3 SER 20 3HB SER 20 13.118 -4.554 -2.318 155 HG SER 20 HG SER 20 15.055 -3.806 -1.252 156 H CYS 21 HN CYS 21 11.022 -3.171 -3.934 157 HA CYS 21 HA CYS 21 8.285 -3.812 -3.188 158 HB2 CYS 21 2HB CYS 21 8.953 -2.306 -5.042 159 HB3 CYS 21 3HB CYS 21 9.667 -3.692 -5.884 160 H LYS 22 H LYS 22 7.612 -5.748 -2.675 161 HA LYS 22 HA LYS 22 9.152 -8.161 -3.163 162 HB2 LYS 22 2HB LYS 22 6.342 -7.805 -2.064 163 HB3 LYS 22 3HB LYS 22 7.304 -9.258 -1.895 164 HG2 LYS 22 2HG LYS 22 8.036 -6.522 -0.762 165 HG3 LYS 22 3HG LYS 22 7.181 -7.755 0.131 166 HD2 LYS 22 2HD LYS 22 9.986 -8.034 -1.024 167 HD3 LYS 22 3HD LYS 22 9.599 -7.637 0.662 168 HE2 LYS 22 2HE LYS 22 8.387 -9.802 0.896 169 HE3 LYS 22 3HE LYS 22 8.837 -10.227 -0.760 170 HZ1 LYS 22 3HZ LYS 22 10.759 -9.740 1.454 171 HZ2 LYS 22 1HZ LYS 22 10.373 -11.202 0.841 172 HZ3 LYS 22 2HZ LYS 22 11.179 -10.124 -0.080 173 H LYS 23 H LYS 23 7.071 -6.589 -5.194 174 HA LYS 23 HA LYS 23 6.071 -9.063 -6.559 175 HB2 LYS 23 2HB LYS 23 4.353 -7.497 -5.909 176 HB3 LYS 23 3HB LYS 23 5.195 -6.174 -6.713 177 HG2 LYS 23 2HG LYS 23 3.244 -6.923 -7.973 178 HG3 LYS 23 3HG LYS 23 4.721 -7.142 -8.909 179 HD2 LYS 23 2HD LYS 23 4.702 -9.555 -8.481 180 HD3 LYS 23 3HD LYS 23 3.342 -9.380 -7.353 181 HE2 LYS 23 2HE LYS 23 1.916 -8.538 -9.170 182 HE3 LYS 23 3HE LYS 23 3.263 -8.643 -10.312 183 HZ1 LYS 23 3HZ LYS 23 1.782 -10.574 -10.459 184 HZ2 LYS 23 1HZ LYS 23 3.273 -11.052 -9.995 185 HZ3 LYS 23 2HZ LYS 23 2.056 -10.971 -8.904 186 H CYS 24 HN CYS 24 7.651 -5.943 -7.464 187 HA CYS 24 HA CYS 24 8.517 -7.279 -9.978 188 HB2 CYS 24 2HB CYS 24 8.617 -5.251 -11.059 189 HB3 CYS 24 3HB CYS 24 7.077 -5.293 -10.207 190 H SER 25 H SER 25 9.846 -6.780 -7.037 191 HA SER 25 HA SER 25 11.887 -6.972 -6.169 192 HB2 SER 25 2HB SER 25 12.704 -8.129 -8.842 193 HB3 SER 25 3HB SER 25 13.560 -8.312 -7.303 194 HG SER 25 HG SER 25 12.190 -10.104 -7.764 195 H GLU 26 H GLU 26 11.312 -4.432 -7.669 196 HA GLU 26 HA GLU 26 14.084 -3.317 -7.814 197 HB2 GLU 26 2HB GLU 26 11.399 -2.057 -8.460 198 HB3 GLU 26 3HB GLU 26 12.955 -1.251 -8.601 199 HG2 GLU 26 2HG GLU 26 12.211 -3.725 -10.222 200 HG3 GLU 26 3HG GLU 26 11.927 -2.077 -10.744 201 H SER 27 H SER 27 13.973 -0.926 -6.707 202 HA SER 27 HA SER 27 12.774 -1.279 -4.004 203 HB2 SER 27 2HB SER 27 15.238 0.334 -4.579 204 HB3 SER 27 3HB SER 27 14.421 0.089 -3.013 205 HG SER 27 HG SER 27 14.999 -2.039 -3.018 206 H ILE 28 H ILE 28 11.855 0.515 -2.975 207 HA ILE 28 HA ILE 28 10.263 1.885 -5.017 208 HB ILE 28 HB ILE 28 9.790 1.576 -2.037 209 HG12 ILE 28 2HG1 ILE 28 8.469 -0.024 -4.273 210 HG13 ILE 28 3HG1 ILE 28 9.868 -0.620 -3.386 211 HG21 ILE 28 1HG2 ILE 28 7.935 2.426 -4.321 212 HG22 ILE 28 2HG2 ILE 28 7.427 2.127 -2.662 213 HG23 ILE 28 3HG2 ILE 28 8.516 3.471 -3.011 214 HD11 ILE 28 3HD1 ILE 28 8.631 -0.432 -1.248 215 HD12 ILE 28 1HD1 ILE 28 7.164 -0.010 -2.162 216 HD13 ILE 28 2HD1 ILE 28 7.936 -1.585 -2.396 217 HA PRO 29 HA PRO 29 12.502 5.686 -4.054 218 HB2 PRO 29 2HB PRO 29 11.223 7.455 -5.689 219 HB3 PRO 29 3HB PRO 29 12.266 6.152 -6.325 220 HG2 PRO 29 2HG PRO 29 9.244 6.119 -6.009 221 HG3 PRO 29 3HG PRO 29 10.195 5.721 -7.471 222 HD2 PRO 29 2HD PRO 29 9.315 3.794 -5.779 223 HD3 PRO 29 3HD PRO 29 10.928 3.667 -6.545 224 H LYS 30 H LYS 30 12.238 7.701 -2.984 225 HA LYS 30 HA LYS 30 9.840 8.087 -1.337 226 HB2 LYS 30 2HB LYS 30 10.971 10.024 -0.410 227 HB3 LYS 30 3HB LYS 30 11.953 8.573 -0.327 228 HG2 LYS 30 2HG LYS 30 13.278 9.313 -2.261 229 HG3 LYS 30 3HG LYS 30 12.334 10.813 -2.338 230 HD2 LYS 30 2HD LYS 30 14.076 9.849 -0.023 231 HD3 LYS 30 3HD LYS 30 14.544 11.070 -1.196 232 HE2 LYS 30 2HE LYS 30 12.201 11.347 0.747 233 HE3 LYS 30 3HE LYS 30 13.828 11.950 1.046 234 HZ1 LYS 30 3HZ LYS 30 12.459 13.707 0.160 235 HZ2 LYS 30 1HZ LYS 30 13.599 13.353 -0.952 236 HZ3 LYS 30 2HZ LYS 30 12.050 12.857 -1.167 237 H ASP 31 H ASP 31 8.809 10.225 -1.237 238 HA ASP 31 HA ASP 31 7.302 11.635 -2.121 239 HB2 ASP 31 2HB ASP 31 9.383 12.194 -4.253 240 HB3 ASP 31 3HB ASP 31 7.960 13.172 -3.914 241 H SER 32 H SER 32 6.962 8.951 -2.734 242 HA SER 32 HA SER 32 5.173 9.065 -5.098 243 HB2 SER 32 2HB SER 32 7.352 7.914 -5.671 244 HB3 SER 32 3HB SER 32 6.951 6.688 -4.451 245 HG SER 32 HG SER 32 6.261 6.111 -6.586 246 H LEU 33 H LEU 33 3.811 6.811 -4.940 247 HA LEU 33 HA LEU 33 2.746 6.687 -2.149 248 HB2 LEU 33 2HB LEU 33 1.214 7.656 -3.872 249 HB3 LEU 33 3HB LEU 33 1.335 6.153 -4.785 250 HG LEU 33 HG LEU 33 0.356 4.947 -2.797 251 HD11 LEU 33 1HD1 LEU 33 0.803 6.584 -1.002 252 HD12 LEU 33 2HD1 LEU 33 -0.245 7.770 -1.811 253 HD13 LEU 33 3HD1 LEU 33 -0.925 6.273 -1.149 254 HD21 LEU 33 3HD2 LEU 33 -1.941 5.663 -3.247 255 HD22 LEU 33 1HD2 LEU 33 -1.352 7.197 -3.937 256 HD23 LEU 33 2HD2 LEU 33 -1.009 5.654 -4.754 257 H ARG 34 H ARG 34 2.832 4.768 -1.105 258 HA ARG 34 HA ARG 34 3.295 2.238 -2.582 259 HB2 ARG 34 2HB ARG 34 5.249 1.629 -1.398 260 HB3 ARG 34 3HB ARG 34 5.510 3.188 -2.177 261 HG2 ARG 34 2HG ARG 34 5.224 4.331 0.017 262 HG3 ARG 34 3HG ARG 34 4.989 2.749 0.802 263 HD2 ARG 34 2HD ARG 34 7.214 2.008 0.058 264 HD3 ARG 34 3HD ARG 34 7.427 3.526 -0.839 265 HE ARG 34 HE ARG 34 6.999 3.960 2.021 266 HH11 ARG 34 1HH2 ARG 34 9.476 3.401 -0.396 267 HH12 ARG 34 2HH2 ARG 34 10.635 4.317 0.508 268 HH21 ARG 34 1HH1 ARG 34 8.517 4.789 3.183 269 HH22 ARG 34 2HH1 ARG 34 10.228 4.746 2.698 270 H MET 35 H MET 35 3.137 0.346 -1.302 271 HA MET 35 HA MET 35 1.389 0.594 1.075 272 HB2 MET 35 2HB MET 35 0.832 -1.013 -1.453 273 HB3 MET 35 3HB MET 35 0.029 -1.322 0.098 274 HG2 MET 35 2HG MET 35 -0.807 0.972 0.150 275 HG3 MET 35 3HG MET 35 -0.054 1.299 -1.417 276 HE1 MET 35 3HE MET 35 -2.274 -1.790 -0.056 277 HE2 MET 35 1HE MET 35 -2.917 -0.254 0.598 278 HE3 MET 35 2HE MET 35 -3.861 -1.183 -0.585 279 H ALA 36 H ALA 36 1.168 -1.407 2.290 280 HA ALA 36 HA ALA 36 3.294 -3.383 1.882 281 HB1 ALA 36 1HB ALA 36 3.377 -2.735 4.689 282 HB2 ALA 36 2HB ALA 36 4.673 -2.681 3.489 283 HB3 ALA 36 3HB ALA 36 3.648 -1.258 3.745 284 H ILE 37 H ILE 37 3.075 -5.292 3.306 285 HA ILE 37 HA ILE 37 0.302 -5.679 4.344 286 HB ILE 37 HB ILE 37 1.743 -7.112 2.234 287 HG12 ILE 37 2HG1 ILE 37 -1.122 -7.428 3.199 288 HG13 ILE 37 3HG1 ILE 37 -0.580 -5.997 2.329 289 HG21 ILE 37 1HG2 ILE 37 0.492 -8.860 4.380 290 HG22 ILE 37 2HG2 ILE 37 1.050 -9.372 2.757 291 HG23 ILE 37 3HG2 ILE 37 2.221 -8.795 3.935 292 HD11 ILE 37 3HD1 ILE 37 -0.490 -8.828 1.243 293 HD12 ILE 37 1HD1 ILE 37 -1.612 -7.533 0.780 294 HD13 ILE 37 2HD1 ILE 37 0.116 -7.374 0.412 295 H MET 38 H MET 38 0.015 -6.688 6.210 296 HA MET 38 HA MET 38 2.435 -7.063 7.875 297 HB2 MET 38 2HB MET 38 -0.498 -7.035 8.620 298 HB3 MET 38 3HB MET 38 0.842 -6.944 9.754 299 HG2 MET 38 2HG MET 38 0.494 -4.769 7.675 300 HG3 MET 38 3HG MET 38 -0.564 -4.836 9.058 301 HE1 MET 38 3HE MET 38 3.327 -5.870 9.336 302 HE2 MET 38 1HE MET 38 3.039 -4.881 7.890 303 HE3 MET 38 2HE MET 38 3.998 -4.228 9.253 304 H VAL 39 H VAL 39 3.313 -8.998 7.538 305 HA VAL 39 HA VAL 39 1.534 -11.407 7.807 306 HB VAL 39 HB VAL 39 2.586 -11.325 5.657 307 HG11 VAL 39 1HG1 VAL 39 4.982 -11.598 5.341 308 HG12 VAL 39 2HG1 VAL 39 4.643 -10.063 6.150 309 HG13 VAL 39 3HG1 VAL 39 5.274 -11.440 7.083 310 HG21 VAL 39 3HG2 VAL 39 3.494 -13.534 5.563 311 HG22 VAL 39 1HG2 VAL 39 3.848 -13.537 7.296 312 HG23 VAL 39 2HG2 VAL 39 2.159 -13.515 6.724 313 H GLN 40 H GLN 40 1.923 -12.943 9.264 314 HA GLN 40 HA GLN 40 3.575 -12.376 11.585 315 HB2 GLN 40 2HB GLN 40 2.862 -14.700 12.251 316 HB3 GLN 40 3HB GLN 40 1.581 -13.509 12.024 317 HG2 GLN 40 2HG GLN 40 1.019 -14.460 9.814 318 HG3 GLN 40 3HG GLN 40 2.327 -15.627 9.957 319 HE21 GLN 40 2HE2 GLN 40 0.110 -16.894 9.462 320 HE22 GLN 40 1HE2 GLN 40 -0.645 -17.537 10.914 321 H SER 41 H SER 41 5.699 -12.675 11.751 322 HA SER 41 HA SER 41 7.125 -13.795 9.512 323 HB2 SER 41 2HB SER 41 7.860 -11.764 10.658 324 HB3 SER 41 3HB SER 41 8.157 -12.707 12.125 325 HG SER 41 HG SER 41 9.565 -12.660 9.692 326 HA PRO 42 HA PRO 42 8.166 -17.727 11.324 327 HB2 PRO 42 2HB PRO 42 10.131 -17.868 9.053 328 HB3 PRO 42 3HB PRO 42 8.929 -19.085 9.576 329 HG2 PRO 42 2HG PRO 42 8.501 -17.561 7.359 330 HG3 PRO 42 3HG PRO 42 7.159 -17.923 8.494 331 HD2 PRO 42 2HD PRO 42 8.858 -15.409 8.353 332 HD3 PRO 42 3HD PRO 42 7.078 -15.578 8.474 333 H MET 43 H MET 43 10.222 -15.010 10.827 334 HA MET 43 HA MET 43 12.525 -16.218 12.314 335 HB2 MET 43 2HB MET 43 12.387 -14.025 10.242 336 HB3 MET 43 3HB MET 43 13.828 -14.360 11.196 337 HG2 MET 43 2HG MET 43 14.315 -16.316 10.145 338 HG3 MET 43 3HG MET 43 12.636 -16.746 9.856 339 HE1 MET 43 3HE MET 43 11.256 -14.565 8.389 340 HE2 MET 43 1HE MET 43 11.590 -14.938 6.680 341 HE3 MET 43 2HE MET 43 11.256 -16.249 7.836 342 H PHE 44 H PHE 44 10.208 -13.585 12.350 343 HA PHE 44 HA PHE 44 11.493 -12.383 14.766 344 HB2 PHE 44 2HB PHE 44 11.460 -10.868 12.876 345 HB3 PHE 44 3HB PHE 44 9.746 -11.138 12.621 346 HD1 PHE 44 HD2 PHE 44 12.206 -9.781 15.107 347 HD2 PHE 44 HD1 PHE 44 8.117 -9.811 13.731 348 HE1 PHE 44 HE2 PHE 44 11.660 -7.927 16.671 349 HE2 PHE 44 HE1 PHE 44 7.577 -7.955 15.293 350 HZ PHE 44 HZ PHE 44 9.346 -7.015 16.766 351 H ASP 45 H ASP 45 10.088 -11.573 16.402 352 HA ASP 45 HA ASP 45 8.061 -13.595 17.082 353 HB2 ASP 45 2HB ASP 45 9.411 -11.447 18.751 354 HB3 ASP 45 3HB ASP 45 8.292 -12.664 19.371 355 H GLY 46 H GLY 46 6.999 -12.014 15.088 356 HA2 GLY 46 2HA GLY 46 4.551 -11.013 16.037 357 HA3 GLY 46 3HA GLY 46 5.672 -9.653 15.968 358 H LYS 47 H LYS 47 4.213 -8.781 14.440 359 HA LYS 47 HA LYS 47 4.007 -10.020 11.750 360 HB2 LYS 47 2HB LYS 47 2.648 -7.627 13.025 361 HB3 LYS 47 3HB LYS 47 2.293 -8.225 11.417 362 HG2 LYS 47 2HG LYS 47 2.061 -10.190 13.714 363 HG3 LYS 47 3HG LYS 47 0.892 -8.887 13.669 364 HD2 LYS 47 2HD LYS 47 1.389 -10.911 11.463 365 HD3 LYS 47 3HD LYS 47 0.055 -10.948 12.608 366 HE2 LYS 47 2HE LYS 47 0.556 -8.813 10.499 367 HE3 LYS 47 3HE LYS 47 -0.625 -10.110 10.379 368 HZ1 LYS 47 3HZ LYS 47 -1.798 -9.149 12.286 369 HZ2 LYS 47 1HZ LYS 47 -0.700 -7.930 12.413 370 HZ3 LYS 47 2HZ LYS 47 -1.653 -8.021 11.102 371 H VAL 48 H VAL 48 4.971 -9.197 9.971 372 HA VAL 48 HA VAL 48 6.634 -6.736 10.262 373 HB VAL 48 HB VAL 48 8.368 -7.771 8.910 374 HG11 VAL 48 1HG1 VAL 48 7.698 -9.459 11.359 375 HG12 VAL 48 2HG1 VAL 48 9.295 -9.240 10.625 376 HG13 VAL 48 3HG1 VAL 48 8.482 -7.867 11.392 377 HG21 VAL 48 3HG2 VAL 48 6.794 -10.368 9.148 378 HG22 VAL 48 1HG2 VAL 48 7.098 -9.463 7.653 379 HG23 VAL 48 2HG2 VAL 48 8.447 -10.198 8.525 380 HA PRO 49 HA PRO 49 4.665 -5.507 6.545 381 HB2 PRO 49 2HB PRO 49 6.069 -3.306 5.793 382 HB3 PRO 49 3HB PRO 49 5.128 -3.374 7.311 383 HG2 PRO 49 2HG PRO 49 8.107 -3.832 6.943 384 HG3 PRO 49 3HG PRO 49 7.284 -2.814 8.166 385 HD2 PRO 49 2HD PRO 49 8.125 -5.384 8.676 386 HD3 PRO 49 3HD PRO 49 6.676 -4.670 9.445 387 H HIS 50 H HIS 50 4.587 -6.368 4.558 388 HA HIS 50 HA HIS 50 7.065 -6.681 2.890 389 HB2 HIS 50 2HB HIS 50 4.310 -7.959 2.859 390 HB3 HIS 50 3HB HIS 50 5.337 -7.971 1.436 391 HD2 HIS 50 HD2 HIS 50 6.719 -8.483 5.005 392 HE1 HIS 50 HE1 HIS 50 7.132 -12.198 2.961 393 HE2 HIS 50 HE2 HIS 50 7.729 -10.925 5.082 394 H TRP 51 H TRP 51 7.477 -4.731 1.986 395 HA TRP 51 HA TRP 51 5.355 -2.912 1.222 396 HB2 TRP 51 2HB TRP 51 8.343 -2.779 0.761 397 HB3 TRP 51 3HB TRP 51 7.193 -1.486 0.447 398 HD1 TRP 51 HD1 TRP 51 9.096 -3.148 3.241 399 HE1 TRP 51 HE1 TRP 51 8.807 -1.827 5.419 400 HE3 TRP 51 HE3 TRP 51 5.425 0.126 1.732 401 HZ2 TRP 51 HZ2 TRP 51 7.134 0.280 6.423 402 HZ3 TRP 51 HZ3 TRP 51 4.433 1.713 3.393 403 HH2 TRP 51 HH2 TRP 51 5.320 1.818 5.707 404 H TYR 52 H TYR 52 4.805 -2.187 -0.832 405 HA TYR 52 HA TYR 52 6.249 -3.112 -3.183 406 HB2 TYR 52 2HB TYR 52 3.358 -3.468 -3.617 407 HB3 TYR 52 3HB TYR 52 4.766 -4.344 -4.216 408 HD1 TYR 52 HD1 TYR 52 2.917 -4.076 -0.898 409 HD2 TYR 52 HD2 TYR 52 4.764 -6.564 -3.887 410 HE1 TYR 52 HE1 TYR 52 2.162 -6.127 0.326 411 HE2 TYR 52 HE2 TYR 52 4.005 -8.595 -2.668 412 HH TYR 52 HH TYR 52 2.150 -8.417 0.374 413 H HIS 53 H HIS 53 5.674 -1.840 -5.103 414 HA HIS 53 HA HIS 53 4.995 0.941 -4.683 415 HB2 HIS 53 2HB HIS 53 4.634 -0.709 -7.217 416 HB3 HIS 53 3HB HIS 53 4.566 1.025 -7.116 417 HD2 HIS 53 HD2 HIS 53 6.850 2.380 -6.563 418 HE1 HIS 53 HE1 HIS 53 9.438 -0.629 -8.111 419 HE2 HIS 53 HE2 HIS 53 9.268 1.814 -7.446 420 H PHE 54 H PHE 54 2.964 2.087 -5.204 421 HA PHE 54 HA PHE 54 0.690 0.957 -4.047 422 HB2 PHE 54 2HB PHE 54 0.818 3.312 -4.307 423 HB3 PHE 54 3HB PHE 54 0.947 3.205 -6.061 424 HD1 PHE 54 HD2 PHE 54 -1.406 2.326 -3.231 425 HD2 PHE 54 HD1 PHE 54 -1.009 3.409 -7.389 426 HE1 PHE 54 HE2 PHE 54 -3.869 2.274 -3.486 427 HE2 PHE 54 HE1 PHE 54 -3.490 3.425 -7.603 428 HZ PHE 54 HZ PHE 54 -4.907 2.818 -5.666 429 H SER 55 H SER 55 1.540 0.870 -7.573 430 HA SER 55 HA SER 55 -1.005 -0.354 -8.310 431 HB2 SER 55 2HB SER 55 0.092 -0.559 -10.542 432 HB3 SER 55 3HB SER 55 0.041 1.092 -9.898 433 HG SER 55 HG SER 55 2.110 0.640 -10.717 434 H CYS 56 HN CYS 56 2.375 -1.469 -7.886 435 HA CYS 56 HA CYS 56 2.143 -4.104 -8.597 436 HB2 CYS 56 2HB CYS 56 3.763 -2.761 -6.419 437 HB3 CYS 56 3HB CYS 56 3.959 -4.455 -6.835 438 H PHE 57 H PHE 57 1.212 -2.686 -5.468 439 HA PHE 57 HA PHE 57 0.658 -4.910 -3.868 440 HB2 PHE 57 2HB PHE 57 0.528 -2.502 -3.246 441 HB3 PHE 57 3HB PHE 57 -1.015 -2.390 -4.087 442 HD1 PHE 57 HD1 PHE 57 -2.980 -3.804 -3.293 443 HD2 PHE 57 HD2 PHE 57 0.707 -3.520 -1.088 444 HE1 PHE 57 HE1 PHE 57 -4.104 -4.741 -1.294 445 HE2 PHE 57 HE2 PHE 57 -0.427 -4.383 0.928 446 HZ PHE 57 HZ PHE 57 -2.829 -5.048 0.822 447 H TRP 58 H TRP 58 -1.605 -3.321 -6.166 448 HA TRP 58 HA TRP 58 -3.632 -5.365 -5.834 449 HB2 TRP 58 2HB TRP 58 -3.487 -3.274 -8.009 450 HB3 TRP 58 3HB TRP 58 -4.912 -4.070 -7.331 451 HD1 TRP 58 HD1 TRP 58 -2.736 -1.088 -6.944 452 HE1 TRP 58 HE1 TRP 58 -3.319 0.296 -4.882 453 HE3 TRP 58 HE3 TRP 58 -5.960 -4.354 -4.695 454 HZ2 TRP 58 HZ2 TRP 58 -5.145 0.103 -2.625 455 HZ3 TRP 58 HZ3 TRP 58 -7.089 -3.739 -2.574 456 HH2 TRP 58 HH2 TRP 58 -6.714 -1.494 -1.558 457 H LYS 59 H LYS 59 -0.901 -4.993 -8.002 458 HA LYS 59 HA LYS 59 -1.729 -7.026 -9.933 459 HB2 LYS 59 2HB LYS 59 1.003 -5.863 -9.292 460 HB3 LYS 59 3HB LYS 59 0.681 -7.015 -10.584 461 HG2 LYS 59 2HG LYS 59 -0.829 -5.480 -11.704 462 HG3 LYS 59 3HG LYS 59 -0.693 -4.305 -10.389 463 HD2 LYS 59 2HD LYS 59 1.741 -4.068 -10.844 464 HD3 LYS 59 3HD LYS 59 1.592 -5.222 -12.189 465 HE2 LYS 59 2HE LYS 59 -0.039 -3.732 -13.295 466 HE3 LYS 59 3HE LYS 59 0.049 -2.602 -11.939 467 HZ1 LYS 59 3HZ LYS 59 1.491 -1.893 -13.766 468 HZ2 LYS 59 1HZ LYS 59 2.411 -2.257 -12.464 469 HZ3 LYS 59 2HZ LYS 59 2.324 -3.295 -13.725 470 H VAL 60 H VAL 60 -0.406 -7.205 -6.674 471 HA VAL 60 HA VAL 60 0.287 -10.044 -6.865 472 HB VAL 60 HB VAL 60 -0.581 -8.487 -4.413 473 HG11 VAL 60 1HG1 VAL 60 0.796 -10.216 -3.192 474 HG12 VAL 60 2HG1 VAL 60 -0.682 -10.856 -3.902 475 HG13 VAL 60 3HG1 VAL 60 0.881 -11.144 -4.701 476 HG21 VAL 60 3HG2 VAL 60 1.474 -7.531 -5.495 477 HG22 VAL 60 1HG2 VAL 60 1.757 -8.209 -3.906 478 HG23 VAL 60 2HG2 VAL 60 2.246 -9.122 -5.349 479 H GLY 61 H GLY 61 -2.747 -8.390 -6.944 480 HA2 GLY 61 2HA GLY 61 -4.720 -9.434 -7.652 481 HA3 GLY 61 3HA GLY 61 -4.208 -10.971 -6.961 482 H HIS 62 H HIS 62 -3.817 -8.315 -4.787 483 HA HIS 62 HA HIS 62 -5.836 -9.301 -2.971 484 HB2 HIS 62 2HB HIS 62 -4.166 -6.769 -2.911 485 HB3 HIS 62 3HB HIS 62 -5.187 -7.337 -1.590 486 HD2 HIS 62 HD2 HIS 62 -1.711 -7.447 -2.639 487 HE1 HIS 62 HE1 HIS 62 -2.115 -10.997 -0.315 488 HE2 HIS 62 HE2 HIS 62 -0.456 -9.416 -1.418 489 H SER 63 H SER 63 -7.680 -8.300 -2.189 490 HA SER 63 HA SER 63 -8.671 -5.781 -3.388 491 HB2 SER 63 2HB SER 63 -10.371 -8.298 -3.137 492 HB3 SER 63 3HB SER 63 -10.991 -6.669 -3.456 493 HG SER 63 HG SER 63 -9.158 -8.117 -5.092 494 H ILE 64 H ILE 64 -9.529 -4.457 -1.818 495 HA ILE 64 HA ILE 64 -9.408 -5.525 0.980 496 HB ILE 64 HB ILE 64 -8.482 -2.862 -0.105 497 HG12 ILE 64 2HG1 ILE 64 -7.065 -5.194 1.248 498 HG13 ILE 64 3HG1 ILE 64 -6.922 -4.736 -0.440 499 HG21 ILE 64 1HG2 ILE 64 -8.541 -3.762 2.815 500 HG22 ILE 64 2HG2 ILE 64 -7.922 -2.227 2.171 501 HG23 ILE 64 3HG2 ILE 64 -9.643 -2.557 2.098 502 HD11 ILE 64 3HD1 ILE 64 -4.966 -3.996 0.750 503 HD12 ILE 64 1HD1 ILE 64 -5.886 -2.567 0.242 504 HD13 ILE 64 2HD1 ILE 64 -5.919 -3.117 1.929 505 H ARG 65 H ARG 65 -11.203 -5.575 2.000 506 HA ARG 65 HA ARG 65 -13.624 -4.510 0.738 507 HB2 ARG 65 2HB ARG 65 -14.729 -5.922 2.602 508 HB3 ARG 65 3HB ARG 65 -13.941 -6.724 1.260 509 HG2 ARG 65 2HG ARG 65 -12.371 -6.261 3.803 510 HG3 ARG 65 3HG ARG 65 -13.601 -7.521 3.769 511 HD2 ARG 65 2HD ARG 65 -12.537 -8.754 2.053 512 HD3 ARG 65 3HD ARG 65 -11.480 -7.425 1.602 513 HE ARG 65 HE ARG 65 -11.288 -8.748 4.284 514 HH11 ARG 65 1HH2 ARG 65 -9.538 -7.965 1.267 515 HH12 ARG 65 2HH2 ARG 65 -8.020 -8.203 2.090 516 HH21 ARG 65 1HH1 ARG 65 -9.247 -9.130 5.088 517 HH22 ARG 65 2HH1 ARG 65 -7.862 -8.865 4.052 518 H HIS 66 H HIS 66 -11.750 -3.574 3.415 519 HA HIS 66 HA HIS 66 -13.476 -1.258 3.898 520 HB2 HIS 66 2HB HIS 66 -13.479 -1.579 6.370 521 HB3 HIS 66 3HB HIS 66 -14.559 -2.589 5.444 522 HD2 HIS 66 HD2 HIS 66 -11.118 -4.160 5.441 523 HE1 HIS 66 HE1 HIS 66 -13.249 -6.003 8.637 524 HE2 HIS 66 HE2 HIS 66 -11.162 -6.124 7.188 525 HA PRO 67 HA PRO 67 -8.954 -0.782 3.762 526 HB2 PRO 67 2HB PRO 67 -8.778 1.504 2.178 527 HB3 PRO 67 3HB PRO 67 -8.955 -0.152 1.525 528 HG2 PRO 67 2HG PRO 67 -11.140 1.872 2.080 529 HG3 PRO 67 3HG PRO 67 -10.881 0.909 0.588 530 HD2 PRO 67 2HD PRO 67 -12.674 0.142 2.438 531 HD3 PRO 67 3HD PRO 67 -11.629 -1.079 1.650 532 H ASP 68 H ASP 68 -11.317 1.732 4.620 533 HA ASP 68 HA ASP 68 -9.428 3.421 5.989 534 HB2 ASP 68 2HB ASP 68 -11.609 4.205 5.163 535 HB3 ASP 68 3HB ASP 68 -12.448 3.068 6.213 536 H VAL 69 H VAL 69 -10.705 0.337 6.765 537 HA VAL 69 HA VAL 69 -10.344 0.635 9.691 538 HB VAL 69 HB VAL 69 -11.452 -1.713 8.106 539 HG11 VAL 69 1HG1 VAL 69 -12.357 -2.447 10.284 540 HG12 VAL 69 2HG1 VAL 69 -10.595 -2.425 10.283 541 HG13 VAL 69 3HG1 VAL 69 -11.493 -1.118 11.091 542 HG21 VAL 69 3HG2 VAL 69 -12.948 0.232 7.883 543 HG22 VAL 69 1HG2 VAL 69 -13.665 -0.979 8.948 544 HG23 VAL 69 2HG2 VAL 69 -12.916 0.477 9.644 545 H GLU 70 H GLU 70 -9.097 -1.142 6.872 546 HA GLU 70 HA GLU 70 -7.070 -2.471 8.624 547 HB2 GLU 70 2HB GLU 70 -8.379 -3.251 6.006 548 HB3 GLU 70 3HB GLU 70 -6.927 -4.053 6.594 549 HG2 GLU 70 2HG GLU 70 -9.537 -3.889 8.131 550 HG3 GLU 70 3HG GLU 70 -8.981 -5.273 7.182 551 H VAL 71 H VAL 71 -7.109 -0.257 5.872 552 HA VAL 71 HA VAL 71 -4.188 -0.595 5.401 553 HB VAL 71 HB VAL 71 -6.002 1.484 4.219 554 HG11 VAL 71 1HG1 VAL 71 -3.266 0.349 3.498 555 HG12 VAL 71 2HG1 VAL 71 -4.159 1.647 2.658 556 HG13 VAL 71 3HG1 VAL 71 -3.538 1.902 4.309 557 HG21 VAL 71 3HG2 VAL 71 -6.732 -0.818 3.570 558 HG22 VAL 71 1HG2 VAL 71 -5.905 -0.020 2.221 559 HG23 VAL 71 2HG2 VAL 71 -5.061 -1.247 3.202 560 H ASP 72 H ASP 72 -3.138 -0.182 7.203 561 HA ASP 72 HA ASP 72 -3.394 2.125 8.896 562 HB2 ASP 72 2HB ASP 72 -2.275 0.009 9.455 563 HB3 ASP 72 3HB ASP 72 -1.039 0.310 8.236 564 H GLY 73 H GLY 73 -2.346 4.127 8.807 565 HA2 GLY 73 2HA GLY 73 -0.979 5.847 8.036 566 HA3 GLY 73 3HA GLY 73 -0.364 4.796 6.766 567 H PHE 74 H PHE 74 -3.499 4.414 6.210 568 HA PHE 74 HA PHE 74 -3.923 6.121 4.002 569 HB2 PHE 74 2HB PHE 74 -5.160 4.052 4.562 570 HB3 PHE 74 3HB PHE 74 -5.812 4.809 6.010 571 HD1 PHE 74 HD1 PHE 74 -5.974 4.758 2.291 572 HD2 PHE 74 HD2 PHE 74 -7.778 6.177 5.945 573 HE1 PHE 74 HE1 PHE 74 -8.041 5.394 1.045 574 HE2 PHE 74 HE2 PHE 74 -9.825 6.813 4.682 575 HZ PHE 74 HZ PHE 74 -9.925 6.454 2.237 576 H SER 75 H SER 75 -4.503 6.794 7.448 577 HA SER 75 HA SER 75 -6.000 9.190 7.205 578 HB2 SER 75 2HB SER 75 -3.983 8.375 9.326 579 HB3 SER 75 3HB SER 75 -5.248 9.612 9.502 580 HG SER 75 HG SER 75 -5.900 7.592 10.377 581 H GLU 76 H GLU 76 -2.608 8.671 6.491 582 HA GLU 76 HA GLU 76 -1.858 11.506 6.829 583 HB2 GLU 76 2HB GLU 76 -0.279 9.171 5.700 584 HB3 GLU 76 3HB GLU 76 0.353 10.761 6.104 585 HG2 GLU 76 2HG GLU 76 -0.822 8.762 8.090 586 HG3 GLU 76 3HG GLU 76 0.886 9.074 7.823 587 H LEU 77 H LEU 77 -3.091 9.482 4.298 588 HA LEU 77 HA LEU 77 -2.044 10.901 1.994 589 HB2 LEU 77 2HB LEU 77 -4.312 8.941 2.469 590 HB3 LEU 77 3HB LEU 77 -4.107 9.722 0.922 591 HG LEU 77 HG LEU 77 -2.028 8.675 0.500 592 HD11 LEU 77 1HD1 LEU 77 -2.105 7.462 3.273 593 HD12 LEU 77 2HD1 LEU 77 -0.975 7.018 1.972 594 HD13 LEU 77 3HD1 LEU 77 -0.921 8.639 2.660 595 HD21 LEU 77 3HD2 LEU 77 -3.977 6.668 1.679 596 HD22 LEU 77 1HD2 LEU 77 -4.091 7.408 0.070 597 HD23 LEU 77 2HD2 LEU 77 -2.736 6.338 0.451 598 H ARG 78 H ARG 78 -3.097 12.383 0.646 599 HA ARG 78 HA ARG 78 -5.208 14.058 1.870 600 HB2 ARG 78 2HB ARG 78 -3.775 14.254 -0.824 601 HB3 ARG 78 3HB ARG 78 -5.011 15.381 -0.285 602 HG2 ARG 78 2HG ARG 78 -2.323 14.913 1.073 603 HG3 ARG 78 3HG ARG 78 -2.807 16.321 0.120 604 HD2 ARG 78 2HD ARG 78 -4.647 16.764 1.772 605 HD3 ARG 78 3HD ARG 78 -4.062 15.449 2.772 606 HE ARG 78 HE ARG 78 -2.861 18.099 2.473 607 HH11 ARG 78 1HH2 ARG 78 -2.158 14.819 3.543 608 HH12 ARG 78 2HH2 ARG 78 -0.825 15.340 4.524 609 HH21 ARG 78 1HH1 ARG 78 -1.148 18.674 3.752 610 HH22 ARG 78 2HH1 ARG 78 -0.273 17.463 4.640 611 H TRP 79 H TRP 79 -7.067 14.710 0.676 612 HA TRP 79 HA TRP 79 -8.694 12.517 0.776 613 HB2 TRP 79 2HB TRP 79 -10.033 14.227 1.177 614 HB3 TRP 79 3HB TRP 79 -9.001 15.356 0.336 615 HD1 TRP 79 HD1 TRP 79 -12.249 13.512 -0.028 616 HE1 TRP 79 HE1 TRP 79 -13.456 14.292 -2.160 617 HE3 TRP 79 HE3 TRP 79 -8.436 16.156 -2.184 618 HZ2 TRP 79 HZ2 TRP 79 -12.831 15.861 -4.515 619 HZ3 TRP 79 HZ3 TRP 79 -8.749 17.267 -4.373 620 HH2 TRP 79 HH2 TRP 79 -10.943 17.131 -5.552 621 H ASP 80 H ASP 80 -7.441 14.004 -2.230 622 HA ASP 80 HA ASP 80 -8.910 12.400 -4.066 623 HB2 ASP 80 2HB ASP 80 -7.723 14.531 -4.579 624 HB3 ASP 80 3HB ASP 80 -6.180 13.697 -4.395 625 H ASP 81 H ASP 81 -6.157 11.546 -2.136 626 HA ASP 81 HA ASP 81 -5.409 9.212 -3.820 627 HB2 ASP 81 2HB ASP 81 -4.114 10.469 -1.375 628 HB3 ASP 81 3HB ASP 81 -3.665 8.885 -2.003 629 H GLN 82 H GLN 82 -6.799 10.109 -0.632 630 HA GLN 82 HA GLN 82 -7.382 7.471 0.263 631 HB2 GLN 82 2HB GLN 82 -8.756 10.149 0.693 632 HB3 GLN 82 3HB GLN 82 -9.323 8.663 1.451 633 HG2 GLN 82 2HG GLN 82 -7.138 8.326 2.522 634 HG3 GLN 82 3HG GLN 82 -6.518 9.803 1.778 635 HE21 GLN 82 2HE2 GLN 82 -6.479 9.437 4.569 636 HE22 GLN 82 1HE2 GLN 82 -7.602 10.606 5.270 637 H GLN 83 H GLN 83 -9.410 9.683 -1.785 638 HA GLN 83 HA GLN 83 -11.529 7.847 -2.239 639 HB2 GLN 83 2HB GLN 83 -10.402 10.024 -4.055 640 HB3 GLN 83 3HB GLN 83 -11.890 9.129 -4.371 641 HG2 GLN 83 2HG GLN 83 -12.767 9.940 -2.130 642 HG3 GLN 83 3HG GLN 83 -11.385 11.035 -2.069 643 HE21 GLN 83 2HE2 GLN 83 -11.111 12.281 -4.395 644 HE22 GLN 83 1HE2 GLN 83 -12.625 12.964 -4.958 645 H LYS 84 H LYS 84 -8.337 8.001 -3.850 646 HA LYS 84 HA LYS 84 -9.117 6.165 -5.991 647 HB2 LYS 84 2HB LYS 84 -7.759 8.048 -6.517 648 HB3 LYS 84 3HB LYS 84 -6.655 7.754 -5.187 649 HG2 LYS 84 2HG LYS 84 -6.879 5.731 -7.415 650 HG3 LYS 84 3HG LYS 84 -5.989 7.225 -7.674 651 HD2 LYS 84 2HD LYS 84 -5.434 5.189 -5.498 652 HD3 LYS 84 3HD LYS 84 -4.493 5.432 -6.973 653 HE2 LYS 84 2HE LYS 84 -4.756 7.314 -4.598 654 HE3 LYS 84 3HE LYS 84 -3.357 6.341 -5.020 655 HZ1 LYS 84 3HZ LYS 84 -4.408 8.511 -6.757 656 HZ2 LYS 84 1HZ LYS 84 -3.195 8.704 -5.689 657 HZ3 LYS 84 2HZ LYS 84 -3.006 7.686 -6.971 658 H VAL 85 H VAL 85 -7.215 6.038 -2.939 659 HA VAL 85 HA VAL 85 -6.512 3.223 -3.265 660 HB VAL 85 HB VAL 85 -6.832 4.954 -0.780 661 HG11 VAL 85 1HG1 VAL 85 -5.608 3.162 0.471 662 HG12 VAL 85 2HG1 VAL 85 -7.213 2.645 -0.026 663 HG13 VAL 85 3HG1 VAL 85 -5.777 2.082 -0.921 664 HG21 VAL 85 3HG2 VAL 85 -4.298 3.788 -1.983 665 HG22 VAL 85 1HG2 VAL 85 -4.871 5.432 -2.314 666 HG23 VAL 85 2HG2 VAL 85 -4.439 4.954 -0.666 667 H LYS 86 H LYS 86 -9.333 4.867 -1.679 668 HA LYS 86 HA LYS 86 -10.761 2.464 -1.051 669 HB2 LYS 86 2HB LYS 86 -11.756 5.268 -1.706 670 HB3 LYS 86 3HB LYS 86 -12.800 3.948 -1.173 671 HG2 LYS 86 2HG LYS 86 -11.510 3.759 0.943 672 HG3 LYS 86 3HG LYS 86 -10.464 5.071 0.435 673 HD2 LYS 86 2HD LYS 86 -12.047 6.069 1.893 674 HD3 LYS 86 3HD LYS 86 -12.573 6.534 0.267 675 HE2 LYS 86 2HE LYS 86 -14.200 4.588 0.348 676 HE3 LYS 86 3HE LYS 86 -13.649 4.266 2.002 677 HZ1 LYS 86 3HZ LYS 86 -14.457 6.481 2.630 678 HZ2 LYS 86 1HZ LYS 86 -14.965 6.780 1.105 679 HZ3 LYS 86 2HZ LYS 86 -15.676 5.609 1.987 680 H LYS 87 H LYS 87 -10.856 4.429 -4.060 681 HA LYS 87 HA LYS 87 -12.725 2.743 -5.391 682 HB2 LYS 87 2HB LYS 87 -12.057 5.088 -6.103 683 HB3 LYS 87 3HB LYS 87 -10.527 4.424 -6.683 684 HG2 LYS 87 2HG LYS 87 -11.977 4.661 -8.576 685 HG3 LYS 87 3HG LYS 87 -11.868 2.930 -8.246 686 HD2 LYS 87 2HD LYS 87 -14.041 3.178 -6.905 687 HD3 LYS 87 3HD LYS 87 -14.131 4.835 -7.513 688 HE2 LYS 87 2HE LYS 87 -14.317 4.016 -9.809 689 HE3 LYS 87 3HE LYS 87 -13.917 2.369 -9.297 690 HZ1 LYS 87 3HZ LYS 87 -15.977 2.329 -7.988 691 HZ2 LYS 87 1HZ LYS 87 -16.384 3.826 -8.521 692 HZ3 LYS 87 2HZ LYS 87 -16.301 2.580 -9.577 693 H THR 88 H THR 88 -9.176 2.640 -5.410 694 HA THR 88 HA THR 88 -8.983 0.431 -7.190 695 HB THR 88 HB THR 88 -6.888 1.291 -5.191 696 HG1 THR 88 1HG THR 88 -7.448 3.029 -6.458 697 HG21 THR 88 1HG2 THR 88 -6.819 -0.094 -7.904 698 HG22 THR 88 2HG2 THR 88 -5.398 0.415 -6.967 699 HG23 THR 88 3HG2 THR 88 -6.465 -0.861 -6.344 700 H ALA 89 H ALA 89 -9.412 0.587 -3.691 701 HA ALA 89 HA ALA 89 -8.850 -2.146 -3.075 702 HB1 ALA 89 1HB ALA 89 -10.480 0.020 -1.689 703 HB2 ALA 89 2HB ALA 89 -9.998 -1.506 -0.955 704 HB3 ALA 89 3HB ALA 89 -8.758 -0.338 -1.437 705 H GLU 90 H GLU 90 -11.855 -0.404 -4.042 706 HA GLU 90 HA GLU 90 -13.347 -2.913 -3.908 707 HB2 GLU 90 2HB GLU 90 -15.250 -1.767 -4.801 708 HB3 GLU 90 3HB GLU 90 -14.566 -0.890 -3.430 709 HG2 GLU 90 2HG GLU 90 -13.640 0.792 -4.890 710 HG3 GLU 90 3HG GLU 90 -14.031 -0.151 -6.334 711 H ALA 91 H ALA 91 -11.683 -1.119 -6.429 712 HA ALA 91 HA ALA 91 -12.694 -2.637 -8.641 713 HB1 ALA 91 1HB ALA 91 -10.227 -0.869 -8.339 714 HB2 ALA 91 2HB ALA 91 -10.933 -1.402 -9.879 715 HB3 ALA 91 3HB ALA 91 -11.848 -0.327 -8.801 716 H GLY 92 H GLY 92 -9.959 -3.197 -6.471 717 HA2 GLY 92 2HA GLY 92 -8.554 -5.001 -6.223 718 HA3 GLY 92 3HA GLY 92 -9.461 -5.886 -7.454 719 H GLY 93 H GLY 93 -8.138 -2.733 -8.272 720 HA2 GLY 93 2HA GLY 93 -5.608 -3.271 -9.321 721 HA3 GLY 93 3HA GLY 93 -6.752 -3.778 -10.560 722 H VAL 94 H VAL 94 -4.785 -1.479 -10.217 723 HA VAL 94 HA VAL 94 -6.569 0.817 -10.871 724 HB VAL 94 HB VAL 94 -5.020 1.287 -9.095 725 HG11 VAL 94 1HG1 VAL 94 -2.750 0.786 -11.059 726 HG12 VAL 94 2HG1 VAL 94 -2.607 1.454 -9.421 727 HG13 VAL 94 3HG1 VAL 94 -3.143 -0.216 -9.643 728 HG21 VAL 94 3HG2 VAL 94 -4.169 2.804 -11.579 729 HG22 VAL 94 1HG2 VAL 94 -5.693 3.074 -10.694 730 HG23 VAL 94 2HG2 VAL 94 -4.136 3.363 -9.902 731 H THR 95 H THR 95 -6.483 1.878 -12.802 732 HA THR 95 HA THR 95 -5.507 0.283 -15.076 733 HB THR 95 HB THR 95 -6.929 1.845 -16.393 734 HG1 THR 95 1HG THR 95 -7.944 3.472 -15.424 735 HG21 THR 95 1HG2 THR 95 -7.918 -0.222 -15.420 736 HG22 THR 95 2HG2 THR 95 -8.358 0.681 -13.954 737 HG23 THR 95 3HG2 THR 95 -9.096 1.100 -15.516 738 H GLY 96 H GLY 96 -4.632 3.316 -13.595 739 HA2 GLY 96 2HA GLY 96 -2.996 4.074 -15.909 740 HA3 GLY 96 3HA GLY 96 -3.177 4.993 -14.411 741 H LYS 97 H LYS 97 -0.717 4.606 -15.689 742 HA LYS 97 HA LYS 97 0.814 2.437 -14.476 743 HB2 LYS 97 2HB LYS 97 1.673 4.911 -16.037 744 HB3 LYS 97 3HB LYS 97 2.756 3.610 -15.530 745 HG2 LYS 97 2HG LYS 97 1.422 1.971 -16.839 746 HG3 LYS 97 3HG LYS 97 0.373 3.284 -17.407 747 HD2 LYS 97 2HD LYS 97 2.328 4.403 -18.449 748 HD3 LYS 97 3HD LYS 97 3.382 3.087 -17.882 749 HE2 LYS 97 2HE LYS 97 2.043 1.454 -19.194 750 HE3 LYS 97 3HE LYS 97 0.996 2.761 -19.760 751 HZ1 LYS 97 3HZ LYS 97 3.911 2.552 -20.318 752 HZ2 LYS 97 1HZ LYS 97 2.721 2.239 -21.389 753 HZ3 LYS 97 2HZ LYS 97 2.942 3.760 -20.842 754 H GLY 98 H GLY 98 0.063 5.661 -13.428 755 HA2 GLY 98 2HA GLY 98 0.556 6.775 -11.447 756 HA3 GLY 98 3HA GLY 98 1.362 5.323 -10.860 757 H GLN 99 H GLN 99 2.915 6.777 -9.921 758 HA GLN 99 HA GLN 99 4.703 8.405 -11.550 759 HB2 GLN 99 2HB GLN 99 4.777 7.471 -8.657 760 HB3 GLN 99 3HB GLN 99 6.015 8.501 -9.384 761 HG2 GLN 99 2HG GLN 99 4.331 10.229 -9.901 762 HG3 GLN 99 3HG GLN 99 3.053 9.217 -9.214 763 HE21 GLN 99 2HE2 GLN 99 6.239 10.700 -8.290 764 HE22 GLN 99 1HE2 GLN 99 5.785 10.930 -6.606 765 H ASP 100 H ASP 100 7.017 8.090 -11.687 766 HA ASP 100 HA ASP 100 7.923 5.244 -11.802 767 HB2 ASP 100 2HB ASP 100 7.296 5.994 -14.049 768 HB3 ASP 100 3HB ASP 100 8.334 7.414 -13.888 769 H GLY 101 H GLY 101 9.962 4.820 -11.161 770 HA2 GLY 101 2HA GLY 101 12.257 6.286 -10.977 771 HA3 GLY 101 3HA GLY 101 11.377 6.785 -9.529 772 H ILE 102 H ILE 102 13.613 5.692 -8.862 773 HA ILE 102 HA ILE 102 12.885 3.044 -7.782 774 HB ILE 102 HB ILE 102 14.192 2.697 -9.882 775 HG12 ILE 102 2HG1 ILE 102 15.478 1.638 -7.332 776 HG13 ILE 102 3HG1 ILE 102 14.004 1.026 -8.093 777 HG21 ILE 102 1HG2 ILE 102 16.592 3.750 -8.328 778 HG22 ILE 102 2HG2 ILE 102 16.563 3.128 -9.989 779 HG23 ILE 102 3HG2 ILE 102 15.758 4.649 -9.614 780 HD11 ILE 102 3HD1 ILE 102 16.813 0.923 -9.244 781 HD12 ILE 102 1HD1 ILE 102 15.801 -0.424 -8.695 782 HD13 ILE 102 2HD1 ILE 102 15.340 0.484 -10.148 783 H GLY 103 H GLY 103 13.678 2.555 -5.837 784 HA2 GLY 103 2HA GLY 103 14.790 4.641 -4.096 785 HA3 GLY 103 3HA GLY 103 14.323 3.004 -3.650 786 H SER 104 H SER 104 16.255 2.979 -2.385 787 HA SER 104 HA SER 104 18.860 3.409 -3.540 788 HB2 SER 104 2HB SER 104 18.096 2.401 -0.780 789 HB3 SER 104 3HB SER 104 19.666 3.069 -1.275 790 HG SER 104 HG SER 104 18.414 4.672 -0.276 791 H LYS 105 H LYS 105 17.902 1.340 -5.038 792 HA LYS 105 HA LYS 105 18.662 -1.278 -4.052 793 HB2 LYS 105 2HB LYS 105 16.954 -0.916 -5.809 794 HB3 LYS 105 3HB LYS 105 18.205 -0.365 -6.924 795 HG2 LYS 105 2HG LYS 105 19.257 -2.536 -6.957 796 HG3 LYS 105 3HG LYS 105 18.297 -3.101 -5.576 797 HD2 LYS 105 2HD LYS 105 16.259 -3.076 -6.886 798 HD3 LYS 105 3HD LYS 105 17.103 -2.351 -8.276 799 HE2 LYS 105 2HE LYS 105 18.502 -4.316 -8.541 800 HE3 LYS 105 3HE LYS 105 17.847 -5.052 -7.072 801 HZ1 LYS 105 3HZ LYS 105 16.834 -5.849 -9.223 802 HZ2 LYS 105 1HZ LYS 105 15.738 -5.319 -8.130 803 HZ3 LYS 105 2HZ LYS 105 16.121 -4.373 -9.396 804 H ALA 106 H ALA 106 20.521 -2.389 -4.175 805 HA ALA 106 HA ALA 106 22.714 -1.724 -5.933 806 HB1 ALA 106 1HB ALA 106 24.356 -1.394 -4.094 807 HB2 ALA 106 2HB ALA 106 23.143 -0.101 -4.114 808 HB3 ALA 106 3HB ALA 106 23.032 -1.402 -2.908 809 H GLU 107 H GLU 107 23.853 -3.521 -6.343 810 HA GLU 107 HA GLU 107 23.115 -6.104 -5.181 811 HB2 GLU 107 2HB GLU 107 23.592 -5.786 -7.590 812 HB3 GLU 107 3HB GLU 107 25.277 -5.408 -7.204 813 HG2 GLU 107 2HG GLU 107 25.587 -7.672 -6.266 814 HG3 GLU 107 3HG GLU 107 23.878 -8.033 -6.521 815 H LYS 108 H LYS 108 24.270 -7.382 -3.799 816 HA LYS 108 HA LYS 108 26.954 -6.620 -2.842 817 HB2 LYS 108 2HB LYS 108 25.321 -5.403 -1.388 818 HB3 LYS 108 3HB LYS 108 24.545 -6.934 -0.994 819 HG2 LYS 108 2HG LYS 108 25.975 -6.247 0.822 820 HG3 LYS 108 3HG LYS 108 26.633 -7.717 0.104 821 HD2 LYS 108 2HD LYS 108 28.345 -6.388 -1.096 822 HD3 LYS 108 3HD LYS 108 27.630 -4.884 -0.469 823 HE2 LYS 108 2HE LYS 108 28.107 -5.640 1.850 824 HE3 LYS 108 3HE LYS 108 28.808 -7.137 1.222 825 HZ1 LYS 108 3HZ LYS 108 29.860 -4.409 0.683 826 HZ2 LYS 108 1HZ LYS 108 30.525 -5.491 1.706 827 HZ3 LYS 108 2HZ LYS 108 30.508 -5.794 0.103 Start of MODEL 23 1 H1 MET 1 H1 MET 1 3.398 -11.152 21.128 2 H2 MET 1 H2 MET 1 4.982 -11.352 20.732 3 H3 MET 1 H3 MET 1 3.822 -12.050 19.812 4 HA MET 1 HA MET 1 4.741 -10.147 18.713 5 HB2 MET 1 2HB MET 1 2.386 -10.707 18.280 6 HB3 MET 1 3HB MET 1 1.870 -9.693 19.632 7 HG2 MET 1 2HG MET 1 1.590 -8.608 17.430 8 HG3 MET 1 3HG MET 1 2.642 -7.693 18.504 9 HE1 MET 1 1HE MET 1 3.270 -6.278 16.175 10 HE2 MET 1 2HE MET 1 3.865 -7.101 14.724 11 HE3 MET 1 3HE MET 1 2.210 -7.403 15.298 12 H ALA 2 H ALA 2 5.817 -8.289 18.925 13 HA ALA 2 HA ALA 2 5.735 -6.912 21.563 14 HB1 ALA 2 1HB ALA 2 7.953 -7.125 19.492 15 HB2 ALA 2 2HB ALA 2 8.074 -6.383 21.100 16 HB3 ALA 2 3HB ALA 2 7.790 -8.125 20.954 17 H GLU 3 H GLU 3 4.313 -6.284 18.706 18 HA GLU 3 HA GLU 3 4.563 -3.339 18.958 19 HB2 GLU 3 2HB GLU 3 5.533 -5.022 16.688 20 HB3 GLU 3 3HB GLU 3 4.514 -3.694 16.193 21 HG2 GLU 3 2HG GLU 3 6.996 -3.418 17.926 22 HG3 GLU 3 3HG GLU 3 6.911 -3.123 16.192 23 H SER 4 H SER 4 3.027 -2.192 17.511 24 HA SER 4 HA SER 4 0.316 -3.354 17.715 25 HB2 SER 4 2HB SER 4 0.947 -0.984 18.391 26 HB3 SER 4 3HB SER 4 1.078 -0.614 16.664 27 HG SER 4 HG SER 4 -1.133 -1.436 16.501 28 H SER 5 H SER 5 2.585 -3.931 15.524 29 HA SER 5 HA SER 5 1.281 -3.342 13.003 30 HB2 SER 5 2HB SER 5 3.700 -5.088 13.578 31 HB3 SER 5 3HB SER 5 3.199 -4.451 12.002 32 HG SER 5 HG SER 5 4.831 -3.153 12.970 33 H ASP 6 H ASP 6 -0.645 -4.636 14.238 34 HA ASP 6 HA ASP 6 -0.667 -7.333 12.981 35 HB2 ASP 6 2HB ASP 6 -0.652 -7.362 15.471 36 HB3 ASP 6 3HB ASP 6 -2.217 -6.542 15.457 37 H LYS 7 H LYS 7 -1.153 -5.358 11.358 38 HA LYS 7 HA LYS 7 -4.051 -4.923 10.844 39 HB2 LYS 7 2HB LYS 7 -1.658 -3.999 9.236 40 HB3 LYS 7 3HB LYS 7 -3.277 -3.314 9.268 41 HG2 LYS 7 2HG LYS 7 -1.248 -3.175 11.560 42 HG3 LYS 7 3HG LYS 7 -1.572 -1.905 10.416 43 HD2 LYS 7 2HD LYS 7 -3.736 -1.458 11.293 44 HD3 LYS 7 3HD LYS 7 -3.848 -3.024 12.081 45 HE2 LYS 7 2HE LYS 7 -3.553 -1.242 13.712 46 HE3 LYS 7 3HE LYS 7 -2.257 -2.434 13.775 47 HZ1 LYS 7 3HZ LYS 7 -2.008 0.209 12.413 48 HZ2 LYS 7 1HZ LYS 7 -1.458 -0.124 13.917 49 HZ3 LYS 7 2HZ LYS 7 -0.813 -0.888 12.633 50 H LEU 8 H LEU 8 -4.254 -5.050 8.252 51 HA LEU 8 HA LEU 8 -2.967 -7.606 7.308 52 HB2 LEU 8 2HB LEU 8 -5.401 -6.144 6.172 53 HB3 LEU 8 3HB LEU 8 -4.664 -7.592 5.494 54 HG LEU 8 HG LEU 8 -6.074 -7.438 8.196 55 HD11 LEU 8 1HD1 LEU 8 -7.558 -7.163 6.249 56 HD12 LEU 8 2HD1 LEU 8 -6.901 -8.647 5.528 57 HD13 LEU 8 3HD1 LEU 8 -7.830 -8.725 7.047 58 HD21 LEU 8 3HD2 LEU 8 -4.948 -9.819 6.650 59 HD22 LEU 8 1HD2 LEU 8 -4.354 -9.199 8.208 60 HD23 LEU 8 2HD2 LEU 8 -5.964 -9.921 8.107 61 H TYR 9 H TYR 9 -3.446 -4.149 6.790 62 HA TYR 9 HA TYR 9 -1.668 -4.212 4.416 63 HB2 TYR 9 2HB TYR 9 -4.377 -2.870 4.538 64 HB3 TYR 9 3HB TYR 9 -3.309 -2.953 3.143 65 HD1 TYR 9 HD2 TYR 9 -2.654 -5.843 3.032 66 HD2 TYR 9 HD1 TYR 9 -6.368 -3.863 3.874 67 HE1 TYR 9 HE2 TYR 9 -3.895 -7.867 2.263 68 HE2 TYR 9 HE1 TYR 9 -7.621 -5.877 3.110 69 HH TYR 9 HH TYR 9 -7.456 -7.917 2.063 70 H ARG 10 H ARG 10 -0.743 -2.231 3.909 71 HA ARG 10 HA ARG 10 -1.104 0.088 5.720 72 HB2 ARG 10 2HB ARG 10 0.776 -0.845 6.728 73 HB3 ARG 10 3HB ARG 10 1.354 -1.550 5.238 74 HG2 ARG 10 2HG ARG 10 2.923 0.094 5.916 75 HG3 ARG 10 3HG ARG 10 2.154 0.629 4.439 76 HD2 ARG 10 2HD ARG 10 2.325 2.568 5.799 77 HD3 ARG 10 3HD ARG 10 0.636 2.094 5.879 78 HE ARG 10 HE ARG 10 0.867 1.421 8.132 79 HH11 ARG 10 1HH2 ARG 10 3.918 2.994 7.096 80 HH12 ARG 10 2HH2 ARG 10 4.446 3.009 8.746 81 HH21 ARG 10 1HH1 ARG 10 1.552 1.720 10.038 82 HH22 ARG 10 2HH1 ARG 10 3.158 2.351 10.398 83 H VAL 11 H VAL 11 -0.908 2.072 4.672 84 HA VAL 11 HA VAL 11 0.312 2.203 1.976 85 HB VAL 11 HB VAL 11 -2.211 1.978 1.814 86 HG11 VAL 11 1HG1 VAL 11 -2.242 4.909 2.662 87 HG12 VAL 11 2HG1 VAL 11 -3.622 3.901 2.195 88 HG13 VAL 11 3HG1 VAL 11 -2.746 3.595 3.710 89 HG21 VAL 11 3HG2 VAL 11 -1.006 4.531 0.640 90 HG22 VAL 11 1HG2 VAL 11 -0.793 2.919 -0.040 91 HG23 VAL 11 2HG2 VAL 11 -2.405 3.636 0.011 92 H GLU 12 H GLU 12 1.382 4.188 1.542 93 HA GLU 12 HA GLU 12 1.161 6.486 3.250 94 HB2 GLU 12 2HB GLU 12 3.382 6.414 4.284 95 HB3 GLU 12 3HB GLU 12 2.413 5.064 4.857 96 HG2 GLU 12 2HG GLU 12 3.586 3.542 3.289 97 HG3 GLU 12 3HG GLU 12 4.524 4.909 2.667 98 H TYR 13 H TYR 13 2.614 8.176 2.643 99 HA TYR 13 HA TYR 13 3.644 8.047 -0.098 100 HB2 TYR 13 2HB TYR 13 3.937 10.206 2.010 101 HB3 TYR 13 3HB TYR 13 4.276 10.358 0.291 102 HD1 TYR 13 HD1 TYR 13 2.095 9.359 -1.180 103 HD2 TYR 13 HD2 TYR 13 1.948 11.191 2.712 104 HE1 TYR 13 HE1 TYR 13 -0.138 10.335 -1.728 105 HE2 TYR 13 HE2 TYR 13 -0.294 12.149 2.182 106 HH TYR 13 HH TYR 13 -1.787 11.769 -1.055 107 H ALA 14 H ALA 14 5.704 7.899 -0.726 108 HA ALA 14 HA ALA 14 7.721 6.927 1.168 109 HB1 ALA 14 1HB ALA 14 7.675 7.337 -1.846 110 HB2 ALA 14 2HB ALA 14 8.997 6.561 -0.945 111 HB3 ALA 14 3HB ALA 14 7.379 5.821 -0.982 112 H LYS 15 H LYS 15 8.616 8.501 2.425 113 HA LYS 15 HA LYS 15 9.409 11.127 1.366 114 HB2 LYS 15 2HB LYS 15 8.509 10.740 3.670 115 HB3 LYS 15 3HB LYS 15 9.937 9.787 4.056 116 HG2 LYS 15 2HG LYS 15 10.123 11.994 5.006 117 HG3 LYS 15 3HG LYS 15 11.368 11.796 3.775 118 HD2 LYS 15 2HD LYS 15 10.042 13.147 2.183 119 HD3 LYS 15 3HD LYS 15 8.709 13.246 3.357 120 HE2 LYS 15 2HE LYS 15 10.235 14.402 4.957 121 HE3 LYS 15 3HE LYS 15 11.536 14.328 3.762 122 HZ1 LYS 15 3HZ LYS 15 8.963 15.774 3.395 123 HZ2 LYS 15 1HZ LYS 15 10.401 16.475 3.706 124 HZ3 LYS 15 2HZ LYS 15 10.163 15.710 2.286 125 H SER 16 H SER 16 10.935 8.054 1.817 126 HA SER 16 HA SER 16 13.367 8.841 0.423 127 HB2 SER 16 2HB SER 16 13.898 9.483 2.754 128 HB3 SER 16 3HB SER 16 13.530 7.838 3.294 129 HG SER 16 HG SER 16 15.806 8.284 2.865 130 H GLY 17 H GLY 17 14.661 6.928 -0.108 131 HA2 GLY 17 2HA GLY 17 13.001 4.709 -0.971 132 HA3 GLY 17 3HA GLY 17 14.712 4.955 -1.309 133 H ARG 18 H ARG 18 12.983 4.567 1.798 134 HA ARG 18 HA ARG 18 14.993 2.679 2.818 135 HB2 ARG 18 2HB ARG 18 12.454 3.782 4.095 136 HB3 ARG 18 3HB ARG 18 13.711 2.885 4.933 137 HG2 ARG 18 2HG ARG 18 13.994 5.635 3.665 138 HG3 ARG 18 3HG ARG 18 13.914 5.273 5.382 139 HD2 ARG 18 2HD ARG 18 16.154 4.458 3.484 140 HD3 ARG 18 3HD ARG 18 16.203 5.780 4.655 141 HE ARG 18 HE ARG 18 15.563 3.498 6.147 142 HH11 ARG 18 1HH2 ARG 18 18.322 4.530 4.249 143 HH12 ARG 18 2HH2 ARG 18 19.438 3.572 5.184 144 HH21 ARG 18 1HH1 ARG 18 17.038 2.295 7.292 145 HH22 ARG 18 2HH1 ARG 18 18.722 2.347 6.863 146 H ALA 19 H ALA 19 12.332 2.099 0.943 147 HA ALA 19 HA ALA 19 12.081 -0.697 1.935 148 HB1 ALA 19 1HB ALA 19 9.668 -0.607 1.483 149 HB2 ALA 19 2HB ALA 19 10.124 0.571 2.725 150 HB3 ALA 19 3HB ALA 19 9.791 1.114 1.063 151 H SER 20 H SER 20 11.461 -2.249 0.360 152 HA SER 20 HA SER 20 12.015 -1.521 -2.485 153 HB2 SER 20 2HB SER 20 13.196 -3.879 -0.974 154 HB3 SER 20 3HB SER 20 13.359 -3.566 -2.713 155 HG SER 20 HG SER 20 15.172 -2.815 -1.494 156 H CYS 21 HN CYS 21 11.116 -2.936 -4.053 157 HA CYS 21 HA CYS 21 8.450 -3.765 -3.196 158 HB2 CYS 21 2HB CYS 21 8.924 -2.404 -5.192 159 HB3 CYS 21 3HB CYS 21 9.778 -3.776 -5.918 160 H LYS 22 H LYS 22 7.960 -5.702 -2.483 161 HA LYS 22 HA LYS 22 9.641 -8.055 -2.836 162 HB2 LYS 22 2HB LYS 22 6.794 -7.832 -1.794 163 HB3 LYS 22 3HB LYS 22 7.848 -9.205 -1.545 164 HG2 LYS 22 2HG LYS 22 8.298 -6.392 -0.494 165 HG3 LYS 22 3HG LYS 22 7.572 -7.688 0.420 166 HD2 LYS 22 2HD LYS 22 10.413 -7.647 -0.671 167 HD3 LYS 22 3HD LYS 22 9.935 -7.314 1.009 168 HE2 LYS 22 2HE LYS 22 8.992 -9.613 1.198 169 HE3 LYS 22 3HE LYS 22 9.534 -9.966 -0.447 170 HZ1 LYS 22 3HZ LYS 22 11.135 -10.760 1.189 171 HZ2 LYS 22 1HZ LYS 22 11.827 -9.585 0.294 172 HZ3 LYS 22 2HZ LYS 22 11.326 -9.267 1.818 173 H LYS 23 H LYS 23 7.320 -6.706 -4.869 174 HA LYS 23 HA LYS 23 6.428 -9.329 -5.989 175 HB2 LYS 23 2HB LYS 23 4.662 -7.864 -5.244 176 HB3 LYS 23 3HB LYS 23 5.269 -6.544 -6.240 177 HG2 LYS 23 2HG LYS 23 3.276 -7.590 -7.199 178 HG3 LYS 23 3HG LYS 23 4.658 -7.736 -8.284 179 HD2 LYS 23 2HD LYS 23 4.960 -10.106 -7.604 180 HD3 LYS 23 3HD LYS 23 3.627 -9.954 -6.448 181 HE2 LYS 23 2HE LYS 23 2.081 -9.425 -8.309 182 HE3 LYS 23 3HE LYS 23 3.414 -9.541 -9.465 183 HZ1 LYS 23 3HZ LYS 23 3.648 -11.887 -8.873 184 HZ2 LYS 23 1HZ LYS 23 2.438 -11.790 -7.779 185 HZ3 LYS 23 2HZ LYS 23 2.119 -11.601 -9.367 186 H CYS 24 HN CYS 24 7.714 -6.198 -7.248 187 HA CYS 24 HA CYS 24 8.444 -7.684 -9.723 188 HB2 CYS 24 2HB CYS 24 8.303 -5.784 -10.986 189 HB3 CYS 24 3HB CYS 24 6.848 -5.823 -10.000 190 H SER 25 H SER 25 9.907 -7.039 -6.957 191 HA SER 25 HA SER 25 12.004 -7.050 -6.196 192 HB2 SER 25 2HB SER 25 12.749 -8.181 -8.903 193 HB3 SER 25 3HB SER 25 13.707 -8.277 -7.416 194 HG SER 25 HG SER 25 12.448 -10.171 -7.777 195 H GLU 26 H GLU 26 11.133 -4.598 -7.619 196 HA GLU 26 HA GLU 26 13.769 -3.263 -8.101 197 HB2 GLU 26 2HB GLU 26 10.908 -2.504 -8.779 198 HB3 GLU 26 3HB GLU 26 12.243 -1.371 -8.880 199 HG2 GLU 26 2HG GLU 26 13.394 -3.235 -10.337 200 HG3 GLU 26 3HG GLU 26 11.746 -3.827 -10.552 201 H SER 27 H SER 27 13.246 -0.722 -7.324 202 HA SER 27 HA SER 27 12.881 -0.904 -4.360 203 HB2 SER 27 2HB SER 27 15.123 -0.418 -5.053 204 HB3 SER 27 3HB SER 27 14.543 1.005 -5.986 205 HG SER 27 HG SER 27 15.349 1.513 -3.841 206 H ILE 28 H ILE 28 11.992 1.036 -3.352 207 HA ILE 28 HA ILE 28 9.709 1.908 -5.020 208 HB ILE 28 HB ILE 28 9.917 1.825 -2.007 209 HG12 ILE 28 2HG1 ILE 28 8.361 0.017 -3.931 210 HG13 ILE 28 3HG1 ILE 28 9.871 -0.437 -3.151 211 HG21 ILE 28 1HG2 ILE 28 7.492 2.258 -2.094 212 HG22 ILE 28 2HG2 ILE 28 8.366 3.603 -2.828 213 HG23 ILE 28 3HG2 ILE 28 7.544 2.409 -3.853 214 HD11 ILE 28 3HD1 ILE 28 7.241 0.073 -1.738 215 HD12 ILE 28 1HD1 ILE 28 8.117 -1.453 -1.924 216 HD13 ILE 28 2HD1 ILE 28 8.801 -0.166 -0.916 217 HA PRO 29 HA PRO 29 11.982 5.781 -5.096 218 HB2 PRO 29 2HB PRO 29 10.380 7.247 -6.772 219 HB3 PRO 29 3HB PRO 29 11.421 5.916 -7.346 220 HG2 PRO 29 2HG PRO 29 8.468 5.806 -6.670 221 HG3 PRO 29 3HG PRO 29 9.294 5.176 -8.131 222 HD2 PRO 29 2HD PRO 29 8.679 3.582 -6.020 223 HD3 PRO 29 3HD PRO 29 10.194 3.348 -6.946 224 H LYS 30 H LYS 30 11.941 7.745 -4.049 225 HA LYS 30 HA LYS 30 9.712 8.370 -2.264 226 HB2 LYS 30 2HB LYS 30 11.010 10.202 -1.462 227 HB3 LYS 30 3HB LYS 30 11.988 8.740 -1.510 228 HG2 LYS 30 2HG LYS 30 13.139 9.491 -3.517 229 HG3 LYS 30 3HG LYS 30 12.095 10.917 -3.649 230 HD2 LYS 30 2HD LYS 30 13.905 10.363 -1.262 231 HD3 LYS 30 3HD LYS 30 14.406 11.316 -2.663 232 HE2 LYS 30 2HE LYS 30 12.726 12.992 -2.274 233 HE3 LYS 30 3HE LYS 30 11.920 12.009 -1.045 234 HZ1 LYS 30 3HZ LYS 30 13.792 12.258 0.397 235 HZ2 LYS 30 1HZ LYS 30 14.674 13.064 -0.733 236 HZ3 LYS 30 2HZ LYS 30 13.342 13.749 -0.081 237 H ASP 31 H ASP 31 8.768 10.506 -2.155 238 HA ASP 31 HA ASP 31 7.154 11.829 -2.941 239 HB2 ASP 31 2HB ASP 31 9.098 13.100 -3.824 240 HB3 ASP 31 3HB ASP 31 8.881 12.309 -5.386 241 H SER 32 H SER 32 6.775 9.163 -3.228 242 HA SER 32 HA SER 32 4.661 9.054 -5.268 243 HB2 SER 32 2HB SER 32 6.869 8.001 -6.185 244 HB3 SER 32 3HB SER 32 6.544 6.694 -5.030 245 HG SER 32 HG SER 32 5.002 7.598 -7.240 246 H LEU 33 H LEU 33 3.571 6.695 -4.913 247 HA LEU 33 HA LEU 33 2.905 6.584 -2.016 248 HB2 LEU 33 2HB LEU 33 1.183 7.429 -3.687 249 HB3 LEU 33 3HB LEU 33 1.207 5.827 -4.421 250 HG LEU 33 HG LEU 33 0.509 4.892 -2.166 251 HD11 LEU 33 1HD1 LEU 33 1.148 6.887 -0.760 252 HD12 LEU 33 2HD1 LEU 33 -0.114 7.824 -1.569 253 HD13 LEU 33 3HD1 LEU 33 -0.544 6.436 -0.559 254 HD21 LEU 33 3HD2 LEU 33 -1.102 5.311 -4.030 255 HD22 LEU 33 1HD2 LEU 33 -1.846 5.519 -2.436 256 HD23 LEU 33 2HD2 LEU 33 -1.382 6.945 -3.395 257 H ARG 34 H ARG 34 2.896 4.664 -0.941 258 HA ARG 34 HA ARG 34 3.588 2.134 -2.364 259 HB2 ARG 34 2HB ARG 34 5.328 1.602 -0.877 260 HB3 ARG 34 3HB ARG 34 5.655 3.210 -1.542 261 HG2 ARG 34 2HG ARG 34 5.159 4.295 0.515 262 HG3 ARG 34 3HG ARG 34 4.365 2.855 1.172 263 HD2 ARG 34 2HD ARG 34 6.417 2.954 2.287 264 HD3 ARG 34 3HD ARG 34 6.570 1.660 1.118 265 HE ARG 34 HE ARG 34 7.896 3.149 -0.313 266 HH11 ARG 34 1HH2 ARG 34 7.627 4.295 3.045 267 HH12 ARG 34 2HH2 ARG 34 9.235 4.955 2.979 268 HH21 ARG 34 1HH1 ARG 34 9.860 4.109 -0.294 269 HH22 ARG 34 2HH1 ARG 34 10.410 4.983 1.096 270 H MET 35 H MET 35 3.248 0.241 -1.130 271 HA MET 35 HA MET 35 1.339 0.417 1.105 272 HB2 MET 35 2HB MET 35 0.934 -1.196 -1.449 273 HB3 MET 35 3HB MET 35 0.084 -1.555 0.064 274 HG2 MET 35 2HG MET 35 -0.828 0.738 0.099 275 HG3 MET 35 3HG MET 35 -0.050 1.061 -1.454 276 HE1 MET 35 3HE MET 35 -3.194 -0.209 0.386 277 HE2 MET 35 1HE MET 35 -3.844 -1.471 -0.686 278 HE3 MET 35 2HE MET 35 -2.325 -1.751 0.202 279 H ALA 36 H ALA 36 1.122 -1.578 2.310 280 HA ALA 36 HA ALA 36 3.303 -3.510 1.972 281 HB1 ALA 36 1HB ALA 36 3.191 -2.917 4.790 282 HB2 ALA 36 2HB ALA 36 4.562 -2.838 3.676 283 HB3 ALA 36 3HB ALA 36 3.511 -1.422 3.883 284 H ILE 37 H ILE 37 3.053 -5.449 3.393 285 HA ILE 37 HA ILE 37 0.225 -5.930 4.231 286 HB ILE 37 HB ILE 37 1.839 -7.254 2.139 287 HG12 ILE 37 2HG1 ILE 37 -1.137 -7.338 2.755 288 HG13 ILE 37 3HG1 ILE 37 -0.365 -5.957 1.970 289 HG21 ILE 37 1HG2 ILE 37 0.204 -9.018 3.986 290 HG22 ILE 37 2HG2 ILE 37 0.920 -9.483 2.416 291 HG23 ILE 37 3HG2 ILE 37 1.978 -9.068 3.749 292 HD11 ILE 37 3HD1 ILE 37 -0.458 -8.780 0.855 293 HD12 ILE 37 1HD1 ILE 37 -1.405 -7.387 0.303 294 HD13 ILE 37 2HD1 ILE 37 0.356 -7.396 0.099 295 H MET 38 H MET 38 -0.145 -7.191 5.927 296 HA MET 38 HA MET 38 2.088 -7.642 7.773 297 HB2 MET 38 2HB MET 38 -0.697 -7.057 7.996 298 HB3 MET 38 3HB MET 38 -0.492 -8.667 8.659 299 HG2 MET 38 2HG MET 38 -0.232 -7.297 10.489 300 HG3 MET 38 3HG MET 38 1.430 -7.653 10.059 301 HE1 MET 38 3HE MET 38 3.110 -6.171 9.470 302 HE2 MET 38 1HE MET 38 2.455 -5.588 7.915 303 HE3 MET 38 2HE MET 38 3.015 -4.421 9.132 304 H VAL 39 H VAL 39 3.299 -9.353 7.722 305 HA VAL 39 HA VAL 39 1.972 -12.031 7.583 306 HB VAL 39 HB VAL 39 3.000 -11.598 5.395 307 HG11 VAL 39 1HG1 VAL 39 5.380 -11.492 5.099 308 HG12 VAL 39 2HG1 VAL 39 4.860 -10.124 6.096 309 HG13 VAL 39 3HG1 VAL 39 5.672 -11.516 6.850 310 HG21 VAL 39 3HG2 VAL 39 2.853 -13.912 6.274 311 HG22 VAL 39 1HG2 VAL 39 4.168 -13.649 5.120 312 HG23 VAL 39 2HG2 VAL 39 4.538 -13.766 6.844 313 H GLN 40 H GLN 40 2.934 -13.669 8.800 314 HA GLN 40 HA GLN 40 4.360 -12.813 11.184 315 HB2 GLN 40 2HB GLN 40 4.362 -15.320 11.649 316 HB3 GLN 40 3HB GLN 40 2.815 -14.477 11.608 317 HG2 GLN 40 2HG GLN 40 2.278 -15.337 9.419 318 HG3 GLN 40 3HG GLN 40 3.900 -16.002 9.204 319 HE21 GLN 40 2HE2 GLN 40 0.878 -16.359 11.152 320 HE22 GLN 40 1HE2 GLN 40 1.190 -18.041 11.553 321 H SER 41 H SER 41 6.441 -12.896 11.662 322 HA SER 41 HA SER 41 8.385 -13.605 9.548 323 HB2 SER 41 2HB SER 41 8.515 -11.371 10.417 324 HB3 SER 41 3HB SER 41 8.615 -11.983 12.077 325 HG SER 41 HG SER 41 10.647 -11.388 10.781 326 HA PRO 42 HA PRO 42 9.953 -16.994 11.982 327 HB2 PRO 42 2HB PRO 42 12.307 -16.727 10.114 328 HB3 PRO 42 3HB PRO 42 11.415 -18.204 10.589 329 HG2 PRO 42 2HG PRO 42 10.997 -17.059 8.161 330 HG3 PRO 42 3HG PRO 42 9.612 -17.684 9.118 331 HD2 PRO 42 2HD PRO 42 10.587 -14.816 8.892 332 HD3 PRO 42 3HD PRO 42 8.922 -15.467 8.786 333 H MET 43 H MET 43 11.402 -13.882 11.538 334 HA MET 43 HA MET 43 13.639 -14.408 13.448 335 HB2 MET 43 2HB MET 43 13.236 -12.334 11.290 336 HB3 MET 43 3HB MET 43 14.566 -12.282 12.442 337 HG2 MET 43 2HG MET 43 15.682 -14.038 11.536 338 HG3 MET 43 3HG MET 43 14.228 -14.903 11.060 339 HE1 MET 43 3HE MET 43 13.031 -14.800 8.885 340 HE2 MET 43 1HE MET 43 12.531 -13.156 9.320 341 HE3 MET 43 2HE MET 43 13.179 -13.485 7.693 342 H PHE 44 H PHE 44 10.724 -12.477 13.099 343 HA PHE 44 HA PHE 44 11.411 -10.837 15.492 344 HB2 PHE 44 2HB PHE 44 10.824 -9.609 13.459 345 HB3 PHE 44 3HB PHE 44 9.289 -10.455 13.368 346 HD1 PHE 44 HD1 PHE 44 11.212 -8.465 15.953 347 HD2 PHE 44 HD2 PHE 44 7.427 -9.219 14.019 348 HE1 PHE 44 HE1 PHE 44 10.136 -6.729 17.365 349 HE2 PHE 44 HE2 PHE 44 6.366 -7.471 15.416 350 HZ PHE 44 HZ PHE 44 7.714 -6.228 17.099 351 H ASP 45 H ASP 45 9.495 -10.341 16.920 352 HA ASP 45 HA ASP 45 8.565 -12.831 18.067 353 HB2 ASP 45 2HB ASP 45 9.474 -10.821 19.308 354 HB3 ASP 45 3HB ASP 45 7.975 -9.975 18.927 355 H GLY 46 H GLY 46 7.302 -11.544 15.474 356 HA2 GLY 46 2HA GLY 46 4.844 -12.814 15.492 357 HA3 GLY 46 3HA GLY 46 4.483 -11.180 16.035 358 H LYS 47 H LYS 47 4.258 -9.606 14.488 359 HA LYS 47 HA LYS 47 4.287 -10.591 11.687 360 HB2 LYS 47 2HB LYS 47 2.582 -8.556 13.134 361 HB3 LYS 47 3HB LYS 47 2.392 -8.976 11.439 362 HG2 LYS 47 2HG LYS 47 2.233 -11.148 13.574 363 HG3 LYS 47 3HG LYS 47 0.878 -10.052 13.363 364 HD2 LYS 47 2HD LYS 47 2.067 -11.658 11.086 365 HD3 LYS 47 3HD LYS 47 0.792 -12.295 12.115 366 HE2 LYS 47 2HE LYS 47 0.517 -9.661 10.621 367 HE3 LYS 47 3HE LYS 47 0.105 -11.213 9.878 368 HZ1 LYS 47 3HZ LYS 47 -1.850 -10.163 10.880 369 HZ2 LYS 47 1HZ LYS 47 -1.529 -11.571 11.637 370 HZ3 LYS 47 2HZ LYS 47 -1.179 -10.155 12.366 371 H VAL 48 H VAL 48 4.976 -9.401 10.009 372 HA VAL 48 HA VAL 48 6.288 -6.780 10.505 373 HB VAL 48 HB VAL 48 8.136 -7.451 9.001 374 HG11 VAL 48 1HG1 VAL 48 7.859 -9.285 11.414 375 HG12 VAL 48 2HG1 VAL 48 9.366 -8.789 10.615 376 HG13 VAL 48 3HG1 VAL 48 8.378 -7.588 11.463 377 HG21 VAL 48 3HG2 VAL 48 7.004 -10.268 9.181 378 HG22 VAL 48 1HG2 VAL 48 7.098 -9.265 7.722 379 HG23 VAL 48 2HG2 VAL 48 8.583 -9.809 8.508 380 HA PRO 49 HA PRO 49 4.296 -5.747 6.657 381 HB2 PRO 49 2HB PRO 49 5.470 -3.381 5.982 382 HB3 PRO 49 3HB PRO 49 4.426 -3.561 7.424 383 HG2 PRO 49 2HG PRO 49 7.454 -3.627 7.286 384 HG3 PRO 49 3HG PRO 49 6.418 -2.730 8.435 385 HD2 PRO 49 2HD PRO 49 7.559 -5.171 9.011 386 HD3 PRO 49 3HD PRO 49 5.989 -4.652 9.691 387 H HIS 50 H HIS 50 4.480 -6.496 4.600 388 HA HIS 50 HA HIS 50 7.152 -6.619 3.225 389 HB2 HIS 50 2HB HIS 50 4.564 -8.168 2.963 390 HB3 HIS 50 3HB HIS 50 5.664 -8.037 1.599 391 HD2 HIS 50 HD2 HIS 50 6.903 -8.367 5.220 392 HE1 HIS 50 HE1 HIS 50 7.911 -12.009 3.247 393 HE2 HIS 50 HE2 HIS 50 8.243 -10.649 5.374 394 H TRP 51 H TRP 51 7.615 -4.891 2.048 395 HA TRP 51 HA TRP 51 5.505 -3.007 1.381 396 HB2 TRP 51 2HB TRP 51 8.520 -2.926 1.042 397 HB3 TRP 51 3HB TRP 51 7.418 -1.590 0.729 398 HD1 TRP 51 HD1 TRP 51 9.203 -3.340 3.539 399 HE1 TRP 51 HE1 TRP 51 8.753 -2.135 5.758 400 HE3 TRP 51 HE3 TRP 51 5.484 -0.168 1.985 401 HZ2 TRP 51 HZ2 TRP 51 6.966 -0.098 6.752 402 HZ3 TRP 51 HZ3 TRP 51 4.433 1.399 3.603 403 HH2 TRP 51 HH2 TRP 51 5.160 1.431 5.979 404 H TYR 52 H TYR 52 4.941 -2.246 -0.621 405 HA TYR 52 HA TYR 52 6.452 -3.057 -2.981 406 HB2 TYR 52 2HB TYR 52 3.594 -3.486 -3.495 407 HB3 TYR 52 3HB TYR 52 5.041 -4.358 -4.012 408 HD1 TYR 52 HD1 TYR 52 2.850 -4.038 -0.943 409 HD2 TYR 52 HD2 TYR 52 5.326 -6.522 -3.439 410 HE1 TYR 52 HE1 TYR 52 2.153 -6.055 0.356 411 HE2 TYR 52 HE2 TYR 52 4.591 -8.538 -2.166 412 HH TYR 52 HH TYR 52 2.341 -8.352 0.580 413 H HIS 53 H HIS 53 5.828 -1.863 -4.884 414 HA HIS 53 HA HIS 53 5.158 0.913 -4.609 415 HB2 HIS 53 2HB HIS 53 4.665 -0.971 -6.958 416 HB3 HIS 53 3HB HIS 53 4.677 0.769 -7.033 417 HD2 HIS 53 HD2 HIS 53 7.122 1.947 -6.222 418 HE1 HIS 53 HE1 HIS 53 9.442 -1.144 -7.995 419 HE2 HIS 53 HE2 HIS 53 9.521 1.191 -7.083 420 H PHE 54 H PHE 54 3.089 2.044 -4.927 421 HA PHE 54 HA PHE 54 0.777 0.824 -3.871 422 HB2 PHE 54 2HB PHE 54 0.888 3.194 -3.970 423 HB3 PHE 54 3HB PHE 54 1.105 3.199 -5.721 424 HD1 PHE 54 HD1 PHE 54 -1.371 2.122 -3.079 425 HD2 PHE 54 HD2 PHE 54 -0.788 3.511 -7.122 426 HE1 PHE 54 HE1 PHE 54 -3.820 2.102 -3.441 427 HE2 PHE 54 HE2 PHE 54 -3.258 3.566 -7.439 428 HZ PHE 54 HZ PHE 54 -4.760 2.827 -5.616 429 H SER 55 H SER 55 1.910 0.854 -7.243 430 HA SER 55 HA SER 55 -0.473 -0.189 -8.492 431 HB2 SER 55 2HB SER 55 1.242 1.055 -9.701 432 HB3 SER 55 3HB SER 55 2.474 -0.131 -9.255 433 HG SER 55 HG SER 55 0.259 -0.485 -11.006 434 H CYS 56 HN CYS 56 2.408 -1.668 -6.999 435 HA CYS 56 HA CYS 56 1.979 -4.207 -8.164 436 HB2 CYS 56 2HB CYS 56 3.875 -3.193 -6.043 437 HB3 CYS 56 3HB CYS 56 3.905 -4.848 -6.657 438 H PHE 57 H PHE 57 1.042 -2.931 -5.004 439 HA PHE 57 HA PHE 57 0.413 -5.244 -3.532 440 HB2 PHE 57 2HB PHE 57 0.159 -2.948 -2.734 441 HB3 PHE 57 3HB PHE 57 -1.171 -2.667 -3.849 442 HD1 PHE 57 HD2 PHE 57 -3.324 -4.046 -3.585 443 HD2 PHE 57 HD1 PHE 57 -0.243 -3.906 -0.570 444 HE1 PHE 57 HE2 PHE 57 -4.930 -4.899 -1.915 445 HE2 PHE 57 HE1 PHE 57 -1.899 -4.640 1.127 446 HZ PHE 57 HZ PHE 57 -4.229 -5.187 0.449 447 H TRP 58 H TRP 58 -1.585 -3.661 -6.047 448 HA TRP 58 HA TRP 58 -3.659 -5.652 -5.988 449 HB2 TRP 58 2HB TRP 58 -3.149 -3.626 -8.169 450 HB3 TRP 58 3HB TRP 58 -4.677 -4.360 -7.680 451 HD1 TRP 58 HD1 TRP 58 -2.389 -1.486 -6.982 452 HE1 TRP 58 HE1 TRP 58 -3.178 -0.045 -5.032 453 HE3 TRP 58 HE3 TRP 58 -6.226 -4.447 -5.313 454 HZ2 TRP 58 HZ2 TRP 58 -5.318 -0.114 -3.023 455 HZ3 TRP 58 HZ3 TRP 58 -7.602 -3.731 -3.383 456 HH2 TRP 58 HH2 TRP 58 -7.148 -1.546 -2.259 457 H LYS 59 H LYS 59 -0.588 -5.673 -7.528 458 HA LYS 59 HA LYS 59 -1.262 -7.726 -9.543 459 HB2 LYS 59 2HB LYS 59 1.462 -6.810 -8.585 460 HB3 LYS 59 3HB LYS 59 1.128 -7.862 -9.958 461 HG2 LYS 59 2HG LYS 59 -0.001 -6.076 -11.161 462 HG3 LYS 59 3HG LYS 59 0.068 -5.030 -9.739 463 HD2 LYS 59 2HD LYS 59 2.667 -5.337 -9.894 464 HD3 LYS 59 3HD LYS 59 2.348 -5.853 -11.563 465 HE2 LYS 59 2HE LYS 59 1.338 -3.769 -12.125 466 HE3 LYS 59 3HE LYS 59 1.008 -3.390 -10.437 467 HZ1 LYS 59 3HZ LYS 59 3.683 -3.302 -11.701 468 HZ2 LYS 59 1HZ LYS 59 2.787 -2.040 -11.130 469 HZ3 LYS 59 2HZ LYS 59 3.427 -3.133 -10.085 470 H VAL 60 H VAL 60 -0.077 -7.544 -6.185 471 HA VAL 60 HA VAL 60 0.334 -10.434 -5.911 472 HB VAL 60 HB VAL 60 -0.416 -8.535 -3.663 473 HG11 VAL 60 1HG1 VAL 60 1.187 -11.131 -3.712 474 HG12 VAL 60 2HG1 VAL 60 0.855 -10.134 -2.281 475 HG13 VAL 60 3HG1 VAL 60 -0.471 -10.958 -3.109 476 HG21 VAL 60 3HG2 VAL 60 1.589 -7.595 -4.785 477 HG22 VAL 60 1HG2 VAL 60 1.969 -8.263 -3.210 478 HG23 VAL 60 2HG2 VAL 60 2.386 -9.178 -4.671 479 H GLY 61 H GLY 61 -2.425 -8.235 -5.667 480 HA2 GLY 61 2HA GLY 61 -4.556 -8.774 -6.425 481 HA3 GLY 61 3HA GLY 61 -4.186 -10.492 -6.326 482 H HIS 62 H HIS 62 -3.620 -8.570 -3.453 483 HA HIS 62 HA HIS 62 -5.705 -9.945 -1.943 484 HB2 HIS 62 2HB HIS 62 -3.787 -7.697 -1.256 485 HB3 HIS 62 3HB HIS 62 -5.014 -8.292 -0.141 486 HD2 HIS 62 HD2 HIS 62 -1.675 -9.298 -1.709 487 HE1 HIS 62 HE1 HIS 62 -2.681 -12.397 1.043 488 HE2 HIS 62 HE2 HIS 62 -0.861 -11.493 -0.490 489 H SER 63 H SER 63 -7.575 -9.135 -1.075 490 HA SER 63 HA SER 63 -8.771 -6.770 -2.479 491 HB2 SER 63 2HB SER 63 -10.117 -9.260 -1.363 492 HB3 SER 63 3HB SER 63 -10.949 -7.862 -2.065 493 HG SER 63 HG SER 63 -9.076 -9.558 -3.395 494 H ILE 64 H ILE 64 -9.971 -5.311 -1.416 495 HA ILE 64 HA ILE 64 -9.768 -5.241 1.558 496 HB ILE 64 HB ILE 64 -9.268 -2.835 -0.191 497 HG12 ILE 64 2HG1 ILE 64 -7.151 -4.806 0.707 498 HG13 ILE 64 3HG1 ILE 64 -7.511 -4.243 -0.922 499 HG21 ILE 64 1HG2 ILE 64 -8.523 -3.512 2.689 500 HG22 ILE 64 2HG2 ILE 64 -8.238 -1.967 1.878 501 HG23 ILE 64 3HG2 ILE 64 -9.896 -2.497 2.199 502 HD11 ILE 64 3HD1 ILE 64 -5.588 -3.046 -0.379 503 HD12 ILE 64 1HD1 ILE 64 -6.863 -1.874 -0.044 504 HD13 ILE 64 2HD1 ILE 64 -6.095 -2.771 1.289 505 H ARG 65 H ARG 65 -11.556 -4.528 2.557 506 HA ARG 65 HA ARG 65 -13.925 -3.765 0.863 507 HB2 ARG 65 2HB ARG 65 -15.242 -5.267 2.487 508 HB3 ARG 65 3HB ARG 65 -14.371 -6.003 1.162 509 HG2 ARG 65 2HG ARG 65 -13.025 -5.811 3.863 510 HG3 ARG 65 3HG ARG 65 -14.265 -7.021 3.615 511 HD2 ARG 65 2HD ARG 65 -13.006 -8.291 2.216 512 HD3 ARG 65 3HD ARG 65 -12.209 -6.915 1.453 513 HE ARG 65 HE ARG 65 -11.040 -6.788 3.876 514 HH11 ARG 65 1HH2 ARG 65 -11.410 -9.629 1.824 515 HH12 ARG 65 2HH2 ARG 65 -9.940 -10.328 2.447 516 HH21 ARG 65 1HH1 ARG 65 -9.349 -7.676 4.591 517 HH22 ARG 65 2HH1 ARG 65 -8.756 -9.241 4.017 518 H HIS 66 H HIS 66 -12.223 -3.221 3.819 519 HA HIS 66 HA HIS 66 -13.784 -0.743 4.095 520 HB2 HIS 66 2HB HIS 66 -13.891 -0.848 6.522 521 HB3 HIS 66 3HB HIS 66 -14.957 -1.956 5.687 522 HD2 HIS 66 HD2 HIS 66 -13.004 -4.514 5.444 523 HE1 HIS 66 HE1 HIS 66 -13.166 -4.458 9.670 524 HE2 HIS 66 HE2 HIS 66 -12.639 -5.881 7.643 525 HA PRO 67 HA PRO 67 -9.247 -0.692 3.731 526 HB2 PRO 67 2HB PRO 67 -8.992 1.554 2.067 527 HB3 PRO 67 3HB PRO 67 -9.301 -0.097 1.467 528 HG2 PRO 67 2HG PRO 67 -11.327 2.047 2.100 529 HG3 PRO 67 3HG PRO 67 -11.198 1.055 0.600 530 HD2 PRO 67 2HD PRO 67 -12.945 0.391 2.503 531 HD3 PRO 67 3HD PRO 67 -11.938 -0.900 1.774 532 H ASP 68 H ASP 68 -11.291 2.079 4.636 533 HA ASP 68 HA ASP 68 -9.109 3.556 5.828 534 HB2 ASP 68 2HB ASP 68 -10.955 4.936 6.809 535 HB3 ASP 68 3HB ASP 68 -10.987 4.785 5.059 536 H VAL 69 H VAL 69 -10.612 0.720 6.761 537 HA VAL 69 HA VAL 69 -9.748 1.004 9.592 538 HB VAL 69 HB VAL 69 -11.417 -1.217 8.378 539 HG11 VAL 69 1HG1 VAL 69 -10.291 -1.849 10.465 540 HG12 VAL 69 2HG1 VAL 69 -10.920 -0.391 11.269 541 HG13 VAL 69 3HG1 VAL 69 -12.025 -1.676 10.733 542 HG21 VAL 69 3HG2 VAL 69 -12.363 1.271 9.858 543 HG22 VAL 69 1HG2 VAL 69 -12.735 0.815 8.177 544 HG23 VAL 69 2HG2 VAL 69 -13.371 -0.153 9.505 545 H GLU 70 H GLU 70 -9.447 -1.040 6.681 546 HA GLU 70 HA GLU 70 -7.574 -2.898 7.988 547 HB2 GLU 70 2HB GLU 70 -8.479 -2.687 5.076 548 HB3 GLU 70 3HB GLU 70 -7.595 -4.039 5.792 549 HG2 GLU 70 2HG GLU 70 -9.495 -4.576 7.234 550 HG3 GLU 70 3HG GLU 70 -10.412 -3.222 6.577 551 H VAL 71 H VAL 71 -7.242 -0.252 5.697 552 HA VAL 71 HA VAL 71 -4.322 -0.739 5.239 553 HB VAL 71 HB VAL 71 -6.031 1.414 4.018 554 HG11 VAL 71 1HG1 VAL 71 -3.374 0.098 3.321 555 HG12 VAL 71 2HG1 VAL 71 -4.172 1.472 2.506 556 HG13 VAL 71 3HG1 VAL 71 -3.547 1.648 4.170 557 HG21 VAL 71 3HG2 VAL 71 -5.988 -0.076 2.004 558 HG22 VAL 71 1HG2 VAL 71 -5.299 -1.378 3.010 559 HG23 VAL 71 2HG2 VAL 71 -6.938 -0.782 3.320 560 H ASP 72 H ASP 72 -3.440 -0.408 7.102 561 HA ASP 72 HA ASP 72 -3.769 1.872 8.817 562 HB2 ASP 72 2HB ASP 72 -2.860 -0.300 9.426 563 HB3 ASP 72 3HB ASP 72 -1.504 -0.095 8.312 564 H GLY 73 H GLY 73 -2.723 3.842 8.798 565 HA2 GLY 73 2HA GLY 73 -1.233 5.543 8.148 566 HA3 GLY 73 3HA GLY 73 -0.604 4.515 6.865 567 H PHE 74 H PHE 74 -3.695 4.142 6.148 568 HA PHE 74 HA PHE 74 -4.045 5.990 4.036 569 HB2 PHE 74 2HB PHE 74 -5.311 3.900 4.375 570 HB3 PHE 74 3HB PHE 74 -6.026 4.544 5.849 571 HD1 PHE 74 HD1 PHE 74 -7.823 6.216 5.792 572 HD2 PHE 74 HD2 PHE 74 -6.180 4.535 2.174 573 HE1 PHE 74 HE1 PHE 74 -9.825 6.971 4.528 574 HE2 PHE 74 HE2 PHE 74 -8.203 5.282 0.925 575 HZ PHE 74 HZ PHE 74 -10.025 6.476 2.109 576 H SER 75 H SER 75 -4.827 6.375 7.483 577 HA SER 75 HA SER 75 -6.324 8.778 7.365 578 HB2 SER 75 2HB SER 75 -4.422 7.829 9.540 579 HB3 SER 75 3HB SER 75 -5.743 9.003 9.729 580 HG SER 75 HG SER 75 -6.372 6.897 10.389 581 H GLU 76 H GLU 76 -2.928 8.354 6.735 582 HA GLU 76 HA GLU 76 -2.291 11.217 7.234 583 HB2 GLU 76 2HB GLU 76 -0.452 8.938 6.421 584 HB3 GLU 76 3HB GLU 76 0.011 10.571 6.901 585 HG2 GLU 76 2HG GLU 76 -1.071 10.140 9.155 586 HG3 GLU 76 3HG GLU 76 -1.278 8.452 8.673 587 H LEU 77 H LEU 77 -3.451 9.346 4.654 588 HA LEU 77 HA LEU 77 -2.086 10.752 2.471 589 HB2 LEU 77 2HB LEU 77 -4.360 8.775 2.656 590 HB3 LEU 77 3HB LEU 77 -4.088 9.676 1.185 591 HG LEU 77 HG LEU 77 -1.941 8.705 0.823 592 HD11 LEU 77 1HD1 LEU 77 -2.222 7.264 3.469 593 HD12 LEU 77 2HD1 LEU 77 -0.997 6.923 2.225 594 HD13 LEU 77 3HD1 LEU 77 -1.004 8.485 3.046 595 HD21 LEU 77 3HD2 LEU 77 -3.953 6.587 1.680 596 HD22 LEU 77 1HD2 LEU 77 -3.967 7.460 0.136 597 HD23 LEU 77 2HD2 LEU 77 -2.630 6.369 0.516 598 H ARG 78 H ARG 78 -2.975 12.301 1.109 599 HA ARG 78 HA ARG 78 -5.051 14.086 2.150 600 HB2 ARG 78 2HB ARG 78 -3.276 13.989 -0.291 601 HB3 ARG 78 3HB ARG 78 -4.775 14.879 -0.453 602 HG2 ARG 78 2HG ARG 78 -2.807 15.376 1.818 603 HG3 ARG 78 3HG ARG 78 -2.753 16.242 0.283 604 HD2 ARG 78 2HD ARG 78 -5.185 16.195 2.126 605 HD3 ARG 78 3HD ARG 78 -3.957 17.470 2.116 606 HE ARG 78 HE ARG 78 -4.700 17.422 -0.503 607 HH11 ARG 78 1HH2 ARG 78 -6.604 17.802 2.418 608 HH12 ARG 78 2HH2 ARG 78 -7.856 18.683 1.590 609 HH21 ARG 78 1HH1 ARG 78 -6.313 18.588 -1.480 610 HH22 ARG 78 2HH1 ARG 78 -7.685 19.121 -0.554 611 H TRP 79 H TRP 79 -6.977 14.624 1.030 612 HA TRP 79 HA TRP 79 -8.725 12.490 0.828 613 HB2 TRP 79 2HB TRP 79 -9.926 14.328 1.203 614 HB3 TRP 79 3HB TRP 79 -8.807 15.379 0.365 615 HD1 TRP 79 HD1 TRP 79 -12.037 13.468 -0.208 616 HE1 TRP 79 HE1 TRP 79 -13.082 14.228 -2.434 617 HE3 TRP 79 HE3 TRP 79 -8.163 16.276 -1.976 618 HZ2 TRP 79 HZ2 TRP 79 -12.293 15.820 -4.728 619 HZ3 TRP 79 HZ3 TRP 79 -8.307 17.393 -4.194 620 HH2 TRP 79 HH2 TRP 79 -10.370 17.174 -5.574 621 H ASP 80 H ASP 80 -7.084 14.075 -1.956 622 HA ASP 80 HA ASP 80 -8.436 12.594 -3.973 623 HB2 ASP 80 2HB ASP 80 -7.157 14.706 -4.304 624 HB3 ASP 80 3HB ASP 80 -5.655 13.831 -4.013 625 H ASP 81 H ASP 81 -5.843 11.570 -1.891 626 HA ASP 81 HA ASP 81 -5.058 9.300 -3.639 627 HB2 ASP 81 2HB ASP 81 -3.859 10.429 -1.093 628 HB3 ASP 81 3HB ASP 81 -3.407 8.861 -1.765 629 H GLN 82 H GLN 82 -6.551 10.058 -0.456 630 HA GLN 82 HA GLN 82 -7.229 7.413 0.318 631 HB2 GLN 82 2HB GLN 82 -8.584 10.113 0.716 632 HB3 GLN 82 3HB GLN 82 -9.220 8.628 1.415 633 HG2 GLN 82 2HG GLN 82 -7.076 8.250 2.599 634 HG3 GLN 82 3HG GLN 82 -6.447 9.763 1.945 635 HE21 GLN 82 2HE2 GLN 82 -6.594 9.269 4.723 636 HE22 GLN 82 1HE2 GLN 82 -7.772 10.405 5.394 637 H GLN 83 H GLN 83 -9.130 9.754 -1.676 638 HA GLN 83 HA GLN 83 -11.268 8.000 -2.320 639 HB2 GLN 83 2HB GLN 83 -10.043 10.363 -3.802 640 HB3 GLN 83 3HB GLN 83 -11.523 9.566 -4.326 641 HG2 GLN 83 2HG GLN 83 -11.206 10.822 -1.568 642 HG3 GLN 83 3HG GLN 83 -11.844 11.669 -2.968 643 HE21 GLN 83 2HE2 GLN 83 -12.600 9.390 -0.414 644 HE22 GLN 83 1HE2 GLN 83 -14.260 9.115 -0.920 645 H LYS 84 H LYS 84 -8.021 8.192 -3.801 646 HA LYS 84 HA LYS 84 -8.759 6.550 -6.109 647 HB2 LYS 84 2HB LYS 84 -7.276 8.363 -6.453 648 HB3 LYS 84 3HB LYS 84 -6.272 7.944 -5.079 649 HG2 LYS 84 2HG LYS 84 -6.472 6.044 -7.415 650 HG3 LYS 84 3HG LYS 84 -5.489 7.495 -7.547 651 HD2 LYS 84 2HD LYS 84 -5.169 5.328 -5.450 652 HD3 LYS 84 3HD LYS 84 -4.135 5.593 -6.857 653 HE2 LYS 84 2HE LYS 84 -4.435 7.378 -4.412 654 HE3 LYS 84 3HE LYS 84 -3.068 6.345 -4.799 655 HZ1 LYS 84 3HZ LYS 84 -2.743 8.728 -5.355 656 HZ2 LYS 84 1HZ LYS 84 -2.531 7.750 -6.664 657 HZ3 LYS 84 2HZ LYS 84 -3.898 8.640 -6.497 658 H VAL 85 H VAL 85 -7.074 6.135 -2.971 659 HA VAL 85 HA VAL 85 -6.412 3.321 -3.436 660 HB VAL 85 HB VAL 85 -6.787 4.918 -0.871 661 HG11 VAL 85 1HG1 VAL 85 -5.576 3.040 0.267 662 HG12 VAL 85 2HG1 VAL 85 -7.180 2.568 -0.290 663 HG13 VAL 85 3HG1 VAL 85 -5.739 2.066 -1.205 664 HG21 VAL 85 3HG2 VAL 85 -4.783 5.474 -2.355 665 HG22 VAL 85 1HG2 VAL 85 -4.396 4.933 -0.718 666 HG23 VAL 85 2HG2 VAL 85 -4.219 3.823 -2.084 667 H LYS 86 H LYS 86 -9.266 4.934 -1.904 668 HA LYS 86 HA LYS 86 -10.704 2.459 -1.512 669 HB2 LYS 86 2HB LYS 86 -11.774 5.305 -1.770 670 HB3 LYS 86 3HB LYS 86 -12.708 3.884 -1.288 671 HG2 LYS 86 2HG LYS 86 -10.854 3.573 0.547 672 HG3 LYS 86 3HG LYS 86 -10.424 5.220 0.193 673 HD2 LYS 86 2HD LYS 86 -11.835 5.170 2.135 674 HD3 LYS 86 3HD LYS 86 -12.714 5.977 0.822 675 HE2 LYS 86 2HE LYS 86 -14.069 4.032 0.447 676 HE3 LYS 86 3HE LYS 86 -12.992 3.019 1.422 677 HZ1 LYS 86 3HZ LYS 86 -15.084 3.687 2.577 678 HZ2 LYS 86 1HZ LYS 86 -13.744 4.068 3.411 679 HZ3 LYS 86 2HZ LYS 86 -14.575 5.237 2.594 680 H LYS 87 H LYS 87 -10.775 4.775 -4.264 681 HA LYS 87 HA LYS 87 -12.597 3.301 -5.896 682 HB2 LYS 87 2HB LYS 87 -11.806 5.616 -6.388 683 HB3 LYS 87 3HB LYS 87 -10.187 4.992 -6.707 684 HG2 LYS 87 2HG LYS 87 -11.243 5.456 -8.791 685 HG3 LYS 87 3HG LYS 87 -11.098 3.702 -8.655 686 HD2 LYS 87 2HD LYS 87 -13.486 3.569 -7.955 687 HD3 LYS 87 3HD LYS 87 -13.594 5.344 -8.045 688 HE2 LYS 87 2HE LYS 87 -13.027 5.240 -10.468 689 HE3 LYS 87 3HE LYS 87 -12.924 3.477 -10.371 690 HZ1 LYS 87 3HZ LYS 87 -15.288 3.440 -9.766 691 HZ2 LYS 87 1HZ LYS 87 -15.382 5.071 -9.852 692 HZ3 LYS 87 2HZ LYS 87 -15.093 4.196 -11.198 693 H THR 88 H THR 88 -9.034 2.980 -5.665 694 HA THR 88 HA THR 88 -8.846 0.888 -7.560 695 HB THR 88 HB THR 88 -6.905 1.491 -5.317 696 HG1 THR 88 1HG THR 88 -7.216 3.287 -6.592 697 HG21 THR 88 1HG2 THR 88 -6.629 0.176 -8.041 698 HG22 THR 88 2HG2 THR 88 -5.279 0.564 -6.952 699 HG23 THR 88 3HG2 THR 88 -6.474 -0.664 -6.491 700 H ALA 89 H ALA 89 -9.574 0.748 -4.077 701 HA ALA 89 HA ALA 89 -9.343 -2.126 -3.857 702 HB1 ALA 89 1HB ALA 89 -10.818 -0.071 -2.154 703 HB2 ALA 89 2HB ALA 89 -10.479 -1.751 -1.710 704 HB3 ALA 89 3HB ALA 89 -9.136 -0.602 -1.928 705 H GLU 90 H GLU 90 -12.002 0.140 -4.674 706 HA GLU 90 HA GLU 90 -13.967 -1.964 -4.969 707 HB2 GLU 90 2HB GLU 90 -13.883 0.866 -6.090 708 HB3 GLU 90 3HB GLU 90 -15.243 -0.243 -6.277 709 HG2 GLU 90 2HG GLU 90 -15.423 -0.405 -3.784 710 HG3 GLU 90 3HG GLU 90 -14.169 0.826 -3.641 711 H ALA 91 H ALA 91 -11.678 -0.431 -7.185 712 HA ALA 91 HA ALA 91 -12.612 -1.711 -9.580 713 HB1 ALA 91 1HB ALA 91 -9.980 -0.310 -8.914 714 HB2 ALA 91 2HB ALA 91 -10.612 -0.625 -10.541 715 HB3 ALA 91 3HB ALA 91 -11.461 0.496 -9.451 716 H GLY 92 H GLY 92 -10.344 -2.729 -7.105 717 HA2 GLY 92 2HA GLY 92 -9.266 -4.745 -6.771 718 HA3 GLY 92 3HA GLY 92 -9.901 -5.364 -8.298 719 H GLY 93 H GLY 93 -8.292 -2.316 -8.593 720 HA2 GLY 93 2HA GLY 93 -5.631 -2.652 -8.788 721 HA3 GLY 93 3HA GLY 93 -6.170 -3.494 -10.246 722 H VAL 94 H VAL 94 -4.620 -1.004 -9.792 723 HA VAL 94 HA VAL 94 -6.303 1.200 -10.704 724 HB VAL 94 HB VAL 94 -4.561 1.520 -9.034 725 HG11 VAL 94 1HG1 VAL 94 -2.773 0.051 -9.927 726 HG12 VAL 94 2HG1 VAL 94 -2.535 1.175 -11.284 727 HG13 VAL 94 3HG1 VAL 94 -2.202 1.696 -9.622 728 HG21 VAL 94 3HG2 VAL 94 -5.401 3.421 -10.359 729 HG22 VAL 94 1HG2 VAL 94 -3.726 3.638 -9.835 730 HG23 VAL 94 2HG2 VAL 94 -4.061 3.203 -11.513 731 H THR 95 H THR 95 -6.179 2.347 -12.644 732 HA THR 95 HA THR 95 -5.872 0.607 -14.940 733 HB THR 95 HB THR 95 -6.814 2.599 -16.167 734 HG1 THR 95 1HG THR 95 -7.528 4.310 -14.887 735 HG21 THR 95 1HG2 THR 95 -8.356 1.782 -13.660 736 HG22 THR 95 2HG2 THR 95 -9.035 2.468 -15.153 737 HG23 THR 95 3HG2 THR 95 -8.293 0.861 -15.178 738 H GLY 96 H GLY 96 -3.644 2.796 -13.540 739 HA2 GLY 96 2HA GLY 96 -1.637 2.383 -15.498 740 HA3 GLY 96 3HA GLY 96 -2.436 3.914 -15.861 741 H LYS 97 H LYS 97 -0.304 4.792 -15.497 742 HA LYS 97 HA LYS 97 1.295 5.953 -14.374 743 HB2 LYS 97 2HB LYS 97 -0.851 6.351 -12.267 744 HB3 LYS 97 3HB LYS 97 0.549 7.377 -12.547 745 HG2 LYS 97 2HG LYS 97 -1.792 7.009 -14.464 746 HG3 LYS 97 3HG LYS 97 -1.494 8.387 -13.409 747 HD2 LYS 97 2HD LYS 97 0.639 8.854 -14.626 748 HD3 LYS 97 3HD LYS 97 0.270 7.520 -15.743 749 HE2 LYS 97 2HE LYS 97 -1.853 8.637 -16.379 750 HE3 LYS 97 3HE LYS 97 -1.495 9.963 -15.267 751 HZ1 LYS 97 3HZ LYS 97 0.486 10.460 -16.602 752 HZ2 LYS 97 1HZ LYS 97 0.153 9.235 -17.632 753 HZ3 LYS 97 2HZ LYS 97 -0.848 10.519 -17.538 754 H GLY 98 H GLY 98 1.261 3.069 -13.759 755 HA2 GLY 98 2HA GLY 98 2.062 2.706 -11.016 756 HA3 GLY 98 3HA GLY 98 2.291 1.547 -12.326 757 H GLN 99 H GLN 99 4.066 2.299 -10.120 758 HA GLN 99 HA GLN 99 6.273 3.886 -11.074 759 HB2 GLN 99 2HB GLN 99 6.066 1.902 -8.781 760 HB3 GLN 99 3HB GLN 99 7.397 3.021 -9.050 761 HG2 GLN 99 2HG GLN 99 6.173 4.108 -7.425 762 HG3 GLN 99 3HG GLN 99 5.658 4.920 -8.891 763 HE21 GLN 99 2HE2 GLN 99 4.053 5.426 -6.944 764 HE22 GLN 99 1HE2 GLN 99 2.594 4.429 -6.955 765 H ASP 100 H ASP 100 8.285 3.293 -11.855 766 HA ASP 100 HA ASP 100 9.088 0.500 -12.284 767 HB2 ASP 100 2HB ASP 100 7.440 0.888 -14.103 768 HB3 ASP 100 3HB ASP 100 8.307 2.336 -14.594 769 H GLY 101 H GLY 101 11.302 0.308 -12.617 770 HA2 GLY 101 2HA GLY 101 13.201 0.766 -13.856 771 HA3 GLY 101 3HA GLY 101 12.660 2.418 -14.142 772 H ILE 102 H ILE 102 13.139 0.908 -10.940 773 HA ILE 102 HA ILE 102 15.602 2.466 -10.451 774 HB ILE 102 HB ILE 102 13.962 4.117 -10.032 775 HG12 ILE 102 2HG1 ILE 102 14.870 3.024 -7.337 776 HG13 ILE 102 3HG1 ILE 102 15.875 3.942 -8.466 777 HG21 ILE 102 1HG2 ILE 102 11.945 2.787 -9.801 778 HG22 ILE 102 2HG2 ILE 102 12.520 2.132 -8.256 779 HG23 ILE 102 3HG2 ILE 102 12.097 3.850 -8.411 780 HD11 ILE 102 3HD1 ILE 102 14.214 5.852 -8.248 781 HD12 ILE 102 1HD1 ILE 102 13.460 4.926 -6.922 782 HD13 ILE 102 2HD1 ILE 102 15.138 5.454 -6.784 783 H GLY 103 H GLY 103 16.906 1.740 -8.880 784 HA2 GLY 103 2HA GLY 103 17.431 0.514 -6.891 785 HA3 GLY 103 3HA GLY 103 16.105 -0.598 -7.198 786 H SER 104 H SER 104 18.877 -1.161 -6.638 787 HA SER 104 HA SER 104 19.585 -2.935 -8.919 788 HB2 SER 104 2HB SER 104 21.522 -1.035 -7.529 789 HB3 SER 104 3HB SER 104 21.969 -2.298 -8.688 790 HG SER 104 HG SER 104 21.785 -0.224 -9.668 791 H LYS 105 H LYS 105 20.893 -4.723 -8.324 792 HA LYS 105 HA LYS 105 20.838 -5.439 -5.421 793 HB2 LYS 105 2HB LYS 105 19.497 -6.772 -7.120 794 HB3 LYS 105 3HB LYS 105 21.034 -7.336 -7.787 795 HG2 LYS 105 2HG LYS 105 21.618 -8.306 -5.572 796 HG3 LYS 105 3HG LYS 105 20.105 -7.683 -4.898 797 HD2 LYS 105 2HD LYS 105 18.815 -9.024 -6.560 798 HD3 LYS 105 3HD LYS 105 20.315 -9.738 -7.161 799 HE2 LYS 105 2HE LYS 105 19.481 -9.897 -4.236 800 HE3 LYS 105 3HE LYS 105 18.874 -11.050 -5.427 801 HZ1 LYS 105 3HZ LYS 105 21.081 -11.824 -5.854 802 HZ2 LYS 105 1HZ LYS 105 21.777 -10.620 -5.040 803 HZ3 LYS 105 2HZ LYS 105 20.933 -11.778 -4.227 804 H ALA 106 H ALA 106 22.680 -5.912 -4.345 805 HA ALA 106 HA ALA 106 25.094 -4.881 -5.507 806 HB1 ALA 106 1HB ALA 106 24.584 -6.155 -2.784 807 HB2 ALA 106 2HB ALA 106 25.990 -5.167 -3.232 808 HB3 ALA 106 3HB ALA 106 24.377 -4.433 -3.192 809 H GLU 107 H GLU 107 24.060 -8.177 -4.837 810 HA GLU 107 HA GLU 107 26.375 -9.248 -6.337 811 HB2 GLU 107 2HB GLU 107 25.456 -10.236 -3.601 812 HB3 GLU 107 3HB GLU 107 26.475 -11.179 -4.675 813 HG2 GLU 107 2HG GLU 107 27.205 -8.490 -3.441 814 HG3 GLU 107 3HG GLU 107 27.745 -10.066 -2.889 815 H LYS 108 H LYS 108 25.917 -11.374 -7.251 816 HA LYS 108 HA LYS 108 23.251 -11.531 -8.333 817 HB2 LYS 108 2HB LYS 108 25.521 -13.558 -8.458 818 HB3 LYS 108 3HB LYS 108 24.070 -13.578 -9.453 819 HG2 LYS 108 2HG LYS 108 26.242 -11.436 -9.502 820 HG3 LYS 108 3HG LYS 108 25.995 -12.719 -10.686 821 HD2 LYS 108 2HD LYS 108 23.746 -11.760 -11.233 822 HD3 LYS 108 3HD LYS 108 24.078 -10.414 -10.117 823 HE2 LYS 108 2HE LYS 108 26.098 -9.822 -11.426 824 HE3 LYS 108 3HE LYS 108 25.776 -11.157 -12.538 825 HZ1 LYS 108 3HZ LYS 108 23.682 -10.064 -13.141 826 HZ2 LYS 108 1HZ LYS 108 23.979 -8.827 -12.113 827 HZ3 LYS 108 2HZ LYS 108 24.935 -9.057 -13.414 Start of MODEL 24 1 H1 MET 1 H1 MET 1 -13.904 -6.147 21.591 2 H2 MET 1 H2 MET 1 -12.949 -7.468 21.406 3 H3 MET 1 H3 MET 1 -13.523 -6.684 20.095 4 HA MET 1 HA MET 1 -12.232 -4.724 20.601 5 HB2 MET 1 2HB MET 1 -11.200 -6.418 22.921 6 HB3 MET 1 3HB MET 1 -10.434 -4.938 22.345 7 HG2 MET 1 2HG MET 1 -12.497 -3.655 22.838 8 HG3 MET 1 3HG MET 1 -13.264 -5.128 23.433 9 HE1 MET 1 1HE MET 1 -10.710 -2.270 24.102 10 HE2 MET 1 2HE MET 1 -9.887 -2.792 25.586 11 HE3 MET 1 3HE MET 1 -9.557 -3.626 24.056 12 H ALA 2 H ALA 2 -10.038 -4.467 19.829 13 HA ALA 2 HA ALA 2 -8.622 -6.889 18.886 14 HB1 ALA 2 1HB ALA 2 -8.478 -5.979 16.595 15 HB2 ALA 2 2HB ALA 2 -10.164 -6.284 17.051 16 HB3 ALA 2 3HB ALA 2 -9.529 -4.623 17.055 17 H GLU 3 H GLU 3 -6.437 -6.460 18.194 18 HA GLU 3 HA GLU 3 -5.144 -4.291 19.746 19 HB2 GLU 3 2HB GLU 3 -4.003 -6.700 18.280 20 HB3 GLU 3 3HB GLU 3 -3.054 -5.512 19.181 21 HG2 GLU 3 2HG GLU 3 -4.343 -6.060 21.248 22 HG3 GLU 3 3HG GLU 3 -5.211 -7.315 20.362 23 H SER 4 H SER 4 -3.460 -2.948 18.857 24 HA SER 4 HA SER 4 -4.211 -1.651 16.423 25 HB2 SER 4 2HB SER 4 -2.182 -0.279 16.841 26 HB3 SER 4 3HB SER 4 -3.250 -0.423 18.249 27 HG SER 4 HG SER 4 -1.036 -0.740 18.799 28 H SER 5 H SER 5 -2.164 -4.386 16.871 29 HA SER 5 HA SER 5 -0.809 -4.123 14.258 30 HB2 SER 5 2HB SER 5 -0.812 -6.409 16.254 31 HB3 SER 5 3HB SER 5 0.236 -6.254 14.830 32 HG SER 5 HG SER 5 1.248 -5.557 16.799 33 H ASP 6 H ASP 6 -3.936 -4.977 15.016 34 HA ASP 6 HA ASP 6 -3.950 -7.315 13.323 35 HB2 ASP 6 2HB ASP 6 -5.147 -7.176 15.515 36 HB3 ASP 6 3HB ASP 6 -6.295 -6.056 14.776 37 H LYS 7 H LYS 7 -3.212 -5.345 11.702 38 HA LYS 7 HA LYS 7 -5.446 -5.023 9.781 39 HB2 LYS 7 2HB LYS 7 -4.021 -3.397 8.628 40 HB3 LYS 7 3HB LYS 7 -4.523 -2.871 10.219 41 HG2 LYS 7 2HG LYS 7 -1.929 -4.348 10.168 42 HG3 LYS 7 3HG LYS 7 -1.938 -2.851 9.223 43 HD2 LYS 7 2HD LYS 7 -2.775 -1.612 11.173 44 HD3 LYS 7 3HD LYS 7 -2.785 -3.094 12.136 45 HE2 LYS 7 2HE LYS 7 -0.391 -3.293 12.059 46 HE3 LYS 7 3HE LYS 7 -0.259 -2.120 10.739 47 HZ1 LYS 7 3HZ LYS 7 0.334 -1.150 12.917 48 HZ2 LYS 7 1HZ LYS 7 -0.920 -0.368 12.205 49 HZ3 LYS 7 2HZ LYS 7 -1.201 -1.404 13.457 50 H LEU 8 H LEU 8 -4.654 -5.299 7.505 51 HA LEU 8 HA LEU 8 -2.638 -7.518 7.254 52 HB2 LEU 8 2HB LEU 8 -4.965 -6.969 5.366 53 HB3 LEU 8 3HB LEU 8 -3.871 -8.341 5.377 54 HG LEU 8 HG LEU 8 -4.941 -8.587 7.872 55 HD11 LEU 8 1HD1 LEU 8 -6.532 -6.694 7.583 56 HD12 LEU 8 2HD1 LEU 8 -7.180 -7.459 6.126 57 HD13 LEU 8 3HD1 LEU 8 -7.395 -8.229 7.713 58 HD21 LEU 8 3HD2 LEU 8 -6.163 -9.606 5.268 59 HD22 LEU 8 1HD2 LEU 8 -4.842 -10.368 6.179 60 HD23 LEU 8 2HD2 LEU 8 -6.465 -10.296 6.884 61 H TYR 9 H TYR 9 -3.334 -4.258 6.498 62 HA TYR 9 HA TYR 9 -1.450 -4.286 4.203 63 HB2 TYR 9 2HB TYR 9 -4.089 -2.835 4.127 64 HB3 TYR 9 3HB TYR 9 -2.971 -3.103 2.804 65 HD1 TYR 9 HD2 TYR 9 -2.490 -5.906 2.657 66 HD2 TYR 9 HD1 TYR 9 -6.116 -3.907 3.799 67 HE1 TYR 9 HE2 TYR 9 -3.789 -7.948 2.063 68 HE2 TYR 9 HE1 TYR 9 -7.431 -5.940 3.195 69 HH TYR 9 HH TYR 9 -7.352 -8.024 2.213 70 H ARG 10 H ARG 10 -0.629 -2.247 3.656 71 HA ARG 10 HA ARG 10 -0.831 -0.027 5.621 72 HB2 ARG 10 2HB ARG 10 1.098 -1.272 6.342 73 HB3 ARG 10 3HB ARG 10 1.606 -1.540 4.693 74 HG2 ARG 10 2HG ARG 10 3.159 -0.048 5.665 75 HG3 ARG 10 3HG ARG 10 2.242 0.874 4.482 76 HD2 ARG 10 2HD ARG 10 0.769 1.668 6.388 77 HD3 ARG 10 3HD ARG 10 1.868 0.852 7.512 78 HE ARG 10 HE ARG 10 3.415 2.668 5.967 79 HH11 ARG 10 1HH2 ARG 10 0.899 2.891 8.476 80 HH12 ARG 10 2HH2 ARG 10 1.217 4.623 8.643 81 HH21 ARG 10 1HH1 ARG 10 3.833 4.712 6.496 82 HH22 ARG 10 2HH1 ARG 10 2.735 5.631 7.541 83 H VAL 11 H VAL 11 -0.574 2.037 4.647 84 HA VAL 11 HA VAL 11 0.452 2.251 1.874 85 HB VAL 11 HB VAL 11 -2.077 2.047 1.872 86 HG11 VAL 11 1HG1 VAL 11 -2.026 4.923 2.900 87 HG12 VAL 11 2HG1 VAL 11 -3.442 3.953 2.448 88 HG13 VAL 11 3HG1 VAL 11 -2.482 3.534 3.880 89 HG21 VAL 11 3HG2 VAL 11 -0.723 3.088 -0.003 90 HG22 VAL 11 1HG2 VAL 11 -2.367 3.723 0.137 91 HG23 VAL 11 2HG2 VAL 11 -0.984 4.664 0.736 92 H GLU 12 H GLU 12 1.467 4.221 1.385 93 HA GLU 12 HA GLU 12 1.276 6.553 3.065 94 HB2 GLU 12 2HB GLU 12 3.578 6.581 3.915 95 HB3 GLU 12 3HB GLU 12 2.717 5.198 4.560 96 HG2 GLU 12 2HG GLU 12 3.833 3.722 2.878 97 HG3 GLU 12 3HG GLU 12 4.706 5.125 2.250 98 H TYR 13 H TYR 13 2.361 8.306 2.341 99 HA TYR 13 HA TYR 13 3.620 8.300 -0.303 100 HB2 TYR 13 2HB TYR 13 3.689 10.388 1.898 101 HB3 TYR 13 3HB TYR 13 4.107 10.618 0.204 102 HD1 TYR 13 HD1 TYR 13 1.902 9.333 -1.258 103 HD2 TYR 13 HD2 TYR 13 1.741 11.543 2.428 104 HE1 TYR 13 HE1 TYR 13 -0.341 10.214 -1.892 105 HE2 TYR 13 HE2 TYR 13 -0.518 12.410 1.814 106 HH TYR 13 HH TYR 13 -2.041 11.632 -1.341 107 H ALA 14 H ALA 14 5.658 7.773 -0.693 108 HA ALA 14 HA ALA 14 7.309 6.638 1.358 109 HB1 ALA 14 1HB ALA 14 7.803 7.263 -1.580 110 HB2 ALA 14 2HB ALA 14 8.829 6.222 -0.567 111 HB3 ALA 14 3HB ALA 14 7.150 5.757 -0.923 112 H LYS 15 H LYS 15 8.695 7.610 2.673 113 HA LYS 15 HA LYS 15 9.605 10.393 2.184 114 HB2 LYS 15 2HB LYS 15 9.950 8.634 4.643 115 HB3 LYS 15 3HB LYS 15 10.220 10.367 4.546 116 HG2 LYS 15 2HG LYS 15 7.556 8.901 4.352 117 HG3 LYS 15 3HG LYS 15 8.121 9.902 5.675 118 HD2 LYS 15 2HD LYS 15 7.419 10.896 2.875 119 HD3 LYS 15 3HD LYS 15 6.421 11.037 4.324 120 HE2 LYS 15 2HE LYS 15 8.215 12.388 5.423 121 HE3 LYS 15 3HE LYS 15 9.170 12.308 3.937 122 HZ1 LYS 15 3HZ LYS 15 7.886 14.365 4.054 123 HZ2 LYS 15 1HZ LYS 15 7.349 13.476 2.794 124 HZ3 LYS 15 2HZ LYS 15 6.478 13.552 4.176 125 H SER 16 H SER 16 10.989 7.204 2.190 126 HA SER 16 HA SER 16 13.593 8.210 1.254 127 HB2 SER 16 2HB SER 16 14.857 6.972 2.963 128 HB3 SER 16 3HB SER 16 13.845 8.222 3.705 129 HG SER 16 HG SER 16 13.603 6.306 4.862 130 H GLY 17 H GLY 17 14.970 6.494 0.442 131 HA2 GLY 17 2HA GLY 17 13.518 4.559 -1.119 132 HA3 GLY 17 3HA GLY 17 15.261 4.847 -1.096 133 H ARG 18 H ARG 18 13.866 4.006 1.975 134 HA ARG 18 HA ARG 18 15.637 1.696 2.117 135 HB2 ARG 18 2HB ARG 18 13.615 2.767 4.128 136 HB3 ARG 18 3HB ARG 18 14.845 1.557 4.462 137 HG2 ARG 18 2HG ARG 18 15.306 4.481 3.755 138 HG3 ARG 18 3HG ARG 18 15.565 3.711 5.313 139 HD2 ARG 18 2HD ARG 18 17.144 3.206 2.758 140 HD3 ARG 18 3HD ARG 18 17.677 4.138 4.161 141 HE ARG 18 HE ARG 18 17.038 1.612 5.174 142 HH11 ARG 18 1HH2 ARG 18 19.391 2.833 2.882 143 HH12 ARG 18 2HH2 ARG 18 20.511 1.537 3.202 144 HH21 ARG 18 1HH1 ARG 18 18.508 -0.017 5.526 145 HH22 ARG 18 2HH1 ARG 18 20.019 -0.027 4.666 146 H ALA 19 H ALA 19 12.348 1.909 1.187 147 HA ALA 19 HA ALA 19 11.780 -0.922 1.838 148 HB1 ALA 19 1HB ALA 19 10.056 1.192 0.498 149 HB2 ALA 19 2HB ALA 19 9.547 -0.427 0.997 150 HB3 ALA 19 3HB ALA 19 10.023 0.756 2.228 151 H SER 20 H SER 20 11.570 -2.560 0.339 152 HA SER 20 HA SER 20 12.250 -1.964 -2.493 153 HB2 SER 20 2HB SER 20 13.328 -4.159 -2.640 154 HB3 SER 20 3HB SER 20 14.149 -3.051 -1.528 155 HG SER 20 HG SER 20 13.935 -5.144 -0.624 156 H CYS 21 HN CYS 21 11.158 -3.032 -4.101 157 HA CYS 21 HA CYS 21 8.419 -3.736 -3.353 158 HB2 CYS 21 2HB CYS 21 9.047 -2.224 -5.241 159 HB3 CYS 21 3HB CYS 21 9.755 -3.617 -6.072 160 H LYS 22 H LYS 22 8.023 -5.715 -2.634 161 HA LYS 22 HA LYS 22 9.674 -8.019 -3.179 162 HB2 LYS 22 2HB LYS 22 6.822 -8.037 -2.162 163 HB3 LYS 22 3HB LYS 22 8.021 -9.278 -1.892 164 HG2 LYS 22 2HG LYS 22 8.079 -6.448 -0.783 165 HG3 LYS 22 3HG LYS 22 7.525 -7.852 0.087 166 HD2 LYS 22 2HD LYS 22 10.364 -7.392 -0.910 167 HD3 LYS 22 3HD LYS 22 9.787 -7.159 0.754 168 HE2 LYS 22 2HE LYS 22 9.177 -9.560 0.895 169 HE3 LYS 22 3HE LYS 22 9.786 -9.816 -0.746 170 HZ1 LYS 22 3HZ LYS 22 11.994 -9.137 0.039 171 HZ2 LYS 22 1HZ LYS 22 11.433 -8.911 1.558 172 HZ3 LYS 22 2HZ LYS 22 11.456 -10.407 0.910 173 H LYS 23 H LYS 23 7.351 -6.600 -5.145 174 HA LYS 23 HA LYS 23 6.464 -9.148 -6.399 175 HB2 LYS 23 2HB LYS 23 4.731 -7.671 -5.540 176 HB3 LYS 23 3HB LYS 23 5.320 -6.342 -6.538 177 HG2 LYS 23 2HG LYS 23 3.299 -7.375 -7.447 178 HG3 LYS 23 3HG LYS 23 4.648 -7.513 -8.576 179 HD2 LYS 23 2HD LYS 23 4.979 -9.881 -7.933 180 HD3 LYS 23 3HD LYS 23 3.697 -9.745 -6.714 181 HE2 LYS 23 2HE LYS 23 2.054 -9.258 -8.482 182 HE3 LYS 23 3HE LYS 23 3.336 -9.286 -9.705 183 HZ1 LYS 23 3HZ LYS 23 3.690 -11.639 -9.190 184 HZ2 LYS 23 1HZ LYS 23 2.523 -11.622 -8.046 185 HZ3 LYS 23 2HZ LYS 23 2.135 -11.405 -9.617 186 H CYS 24 HN CYS 24 7.693 -5.943 -7.520 187 HA CYS 24 HA CYS 24 8.453 -7.283 -10.061 188 HB2 CYS 24 2HB CYS 24 8.362 -5.301 -11.197 189 HB3 CYS 24 3HB CYS 24 6.908 -5.353 -10.210 190 H SER 25 H SER 25 9.934 -6.702 -7.226 191 HA SER 25 HA SER 25 12.021 -6.861 -6.487 192 HB2 SER 25 2HB SER 25 12.691 -8.002 -9.208 193 HB3 SER 25 3HB SER 25 13.637 -8.185 -7.722 194 HG SER 25 HG SER 25 12.258 -9.985 -8.109 195 H GLU 26 H GLU 26 11.337 -4.315 -7.823 196 HA GLU 26 HA GLU 26 14.093 -3.169 -8.100 197 HB2 GLU 26 2HB GLU 26 11.364 -1.924 -8.622 198 HB3 GLU 26 3HB GLU 26 12.905 -1.091 -8.774 199 HG2 GLU 26 2HG GLU 26 11.939 -3.428 -10.465 200 HG3 GLU 26 3HG GLU 26 12.078 -1.748 -10.962 201 H SER 27 H SER 27 14.029 -0.815 -6.938 202 HA SER 27 HA SER 27 12.907 -1.210 -4.205 203 HB2 SER 27 2HB SER 27 15.408 0.318 -4.870 204 HB3 SER 27 3HB SER 27 14.604 0.197 -3.281 205 HG SER 27 HG SER 27 16.343 -1.327 -3.570 206 H ILE 28 H ILE 28 11.952 0.514 -3.140 207 HA ILE 28 HA ILE 28 10.338 1.920 -5.131 208 HB ILE 28 HB ILE 28 9.927 1.590 -2.146 209 HG12 ILE 28 2HG1 ILE 28 8.536 0.049 -4.380 210 HG13 ILE 28 3HG1 ILE 28 9.945 -0.577 -3.530 211 HG21 ILE 28 1HG2 ILE 28 8.653 3.520 -3.048 212 HG22 ILE 28 2HG2 ILE 28 7.979 2.487 -4.325 213 HG23 ILE 28 3HG2 ILE 28 7.575 2.191 -2.630 214 HD11 ILE 28 3HD1 ILE 28 8.025 -1.542 -2.518 215 HD12 ILE 28 1HD1 ILE 28 8.744 -0.410 -1.365 216 HD13 ILE 28 2HD1 ILE 28 7.266 0.032 -2.251 217 HA PRO 29 HA PRO 29 12.647 5.656 -4.222 218 HB2 PRO 29 2HB PRO 29 11.403 7.465 -5.820 219 HB3 PRO 29 3HB PRO 29 12.336 6.099 -6.506 220 HG2 PRO 29 2HG PRO 29 9.335 6.197 -5.967 221 HG3 PRO 29 3HG PRO 29 10.150 5.826 -7.509 222 HD2 PRO 29 2HD PRO 29 9.367 3.841 -5.844 223 HD3 PRO 29 3HD PRO 29 10.941 3.726 -6.693 224 H LYS 30 H LYS 30 12.418 7.703 -3.143 225 HA LYS 30 HA LYS 30 9.984 8.102 -1.524 226 HB2 LYS 30 2HB LYS 30 11.003 9.910 -0.510 227 HB3 LYS 30 3HB LYS 30 12.261 8.693 -0.675 228 HG2 LYS 30 2HG LYS 30 13.224 9.905 -2.584 229 HG3 LYS 30 3HG LYS 30 11.943 11.121 -2.515 230 HD2 LYS 30 2HD LYS 30 13.815 10.538 -0.186 231 HD3 LYS 30 3HD LYS 30 14.136 11.783 -1.401 232 HE2 LYS 30 2HE LYS 30 12.334 13.128 -0.752 233 HE3 LYS 30 3HE LYS 30 11.490 11.808 0.061 234 HZ1 LYS 30 3HZ LYS 30 14.039 12.945 1.062 235 HZ2 LYS 30 1HZ LYS 30 12.563 13.357 1.628 236 HZ3 LYS 30 2HZ LYS 30 13.088 11.821 1.805 237 H ASP 31 H ASP 31 8.871 10.246 -1.594 238 HA ASP 31 HA ASP 31 7.410 11.597 -2.674 239 HB2 ASP 31 2HB ASP 31 9.509 12.797 -3.139 240 HB3 ASP 31 3HB ASP 31 9.648 11.969 -4.686 241 H SER 32 H SER 32 6.894 9.018 -2.990 242 HA SER 32 HA SER 32 5.072 9.079 -5.250 243 HB2 SER 32 2HB SER 32 7.148 7.957 -6.177 244 HB3 SER 32 3HB SER 32 6.898 6.655 -4.993 245 HG SER 32 HG SER 32 5.911 6.414 -7.179 246 H LEU 33 H LEU 33 3.807 6.759 -5.050 247 HA LEU 33 HA LEU 33 2.907 6.642 -2.205 248 HB2 LEU 33 2HB LEU 33 1.301 7.590 -3.877 249 HB3 LEU 33 3HB LEU 33 1.383 6.070 -4.768 250 HG LEU 33 HG LEU 33 0.498 4.904 -2.695 251 HD11 LEU 33 1HD1 LEU 33 -0.100 7.749 -1.793 252 HD12 LEU 33 2HD1 LEU 33 -0.713 6.262 -1.047 253 HD13 LEU 33 3HD1 LEU 33 1.014 6.629 -0.993 254 HD21 LEU 33 3HD2 LEU 33 -1.265 7.119 -3.799 255 HD22 LEU 33 1HD2 LEU 33 -0.935 5.581 -4.632 256 HD23 LEU 33 2HD2 LEU 33 -1.813 5.577 -3.090 257 H ARG 34 H ARG 34 2.941 4.724 -1.152 258 HA ARG 34 HA ARG 34 3.416 2.198 -2.628 259 HB2 ARG 34 2HB ARG 34 5.311 1.568 -1.343 260 HB3 ARG 34 3HB ARG 34 5.618 3.105 -2.147 261 HG2 ARG 34 2HG ARG 34 5.284 4.309 -0.008 262 HG3 ARG 34 3HG ARG 34 4.956 2.763 0.814 263 HD2 ARG 34 2HD ARG 34 7.197 1.936 0.218 264 HD3 ARG 34 3HD ARG 34 7.509 3.416 -0.708 265 HE ARG 34 HE ARG 34 6.909 3.817 2.161 266 HH11 ARG 34 1HH2 ARG 34 9.522 3.542 -0.191 267 HH12 ARG 34 2HH2 ARG 34 10.630 4.365 0.876 268 HH21 ARG 34 1HH1 ARG 34 8.302 4.674 3.408 269 HH22 ARG 34 2HH1 ARG 34 10.018 4.800 2.985 270 H MET 35 H MET 35 3.184 0.325 -1.393 271 HA MET 35 HA MET 35 1.412 0.518 0.962 272 HB2 MET 35 2HB MET 35 0.864 -1.004 -1.614 273 HB3 MET 35 3HB MET 35 0.072 -1.405 -0.081 274 HG2 MET 35 2HG MET 35 -0.797 0.901 0.067 275 HG3 MET 35 3HG MET 35 -0.076 1.267 -1.503 276 HE1 MET 35 3HE MET 35 -3.879 -1.243 -0.680 277 HE2 MET 35 1HE MET 35 -2.306 -1.716 0.002 278 HE3 MET 35 2HE MET 35 -3.051 -0.169 0.475 279 H ALA 36 H ALA 36 1.195 -1.553 2.092 280 HA ALA 36 HA ALA 36 3.348 -3.475 1.581 281 HB1 ALA 36 1HB ALA 36 4.699 -2.902 3.266 282 HB2 ALA 36 2HB ALA 36 3.710 -1.460 3.534 283 HB3 ALA 36 3HB ALA 36 3.371 -2.954 4.432 284 H ILE 37 H ILE 37 3.120 -5.460 2.913 285 HA ILE 37 HA ILE 37 0.319 -5.924 3.849 286 HB ILE 37 HB ILE 37 1.978 -7.387 1.904 287 HG12 ILE 37 2HG1 ILE 37 -0.989 -7.533 2.583 288 HG13 ILE 37 3HG1 ILE 37 -0.280 -6.222 1.640 289 HG21 ILE 37 1HG2 ILE 37 0.463 -9.036 3.947 290 HG22 ILE 37 2HG2 ILE 37 1.215 -9.606 2.422 291 HG23 ILE 37 3HG2 ILE 37 2.234 -8.995 3.715 292 HD11 ILE 37 3HD1 ILE 37 -1.289 -7.861 0.155 293 HD12 ILE 37 1HD1 ILE 37 0.466 -7.810 -0.079 294 HD13 ILE 37 2HD1 ILE 37 -0.268 -9.150 0.825 295 H MET 38 H MET 38 -0.034 -6.959 5.687 296 HA MET 38 HA MET 38 2.271 -6.989 7.525 297 HB2 MET 38 2HB MET 38 -0.701 -7.055 8.139 298 HB3 MET 38 3HB MET 38 0.581 -6.725 9.291 299 HG2 MET 38 2HG MET 38 0.217 -4.873 6.923 300 HG3 MET 38 3HG MET 38 -0.916 -4.824 8.242 301 HE1 MET 38 3HE MET 38 3.010 -5.551 8.836 302 HE2 MET 38 1HE MET 38 2.754 -4.759 7.268 303 HE3 MET 38 2HE MET 38 3.584 -3.891 8.594 304 H VAL 39 H VAL 39 3.296 -8.846 7.541 305 HA VAL 39 HA VAL 39 1.703 -11.351 8.004 306 HB VAL 39 HB VAL 39 2.865 -11.471 5.927 307 HG11 VAL 39 1HG1 VAL 39 4.730 -9.915 6.266 308 HG12 VAL 39 2HG1 VAL 39 5.460 -11.020 7.456 309 HG13 VAL 39 3HG1 VAL 39 5.308 -11.508 5.758 310 HG21 VAL 39 3HG2 VAL 39 4.301 -13.261 7.903 311 HG22 VAL 39 1HG2 VAL 39 2.649 -13.527 7.288 312 HG23 VAL 39 2HG2 VAL 39 4.025 -13.543 6.179 313 H GLN 40 H GLN 40 2.144 -12.671 9.675 314 HA GLN 40 HA GLN 40 3.566 -11.627 11.985 315 HB2 GLN 40 2HB GLN 40 2.997 -13.877 12.949 316 HB3 GLN 40 3HB GLN 40 1.639 -12.871 12.446 317 HG2 GLN 40 2HG GLN 40 1.367 -14.196 10.373 318 HG3 GLN 40 3HG GLN 40 2.753 -15.189 10.803 319 HE21 GLN 40 2HE2 GLN 40 0.735 -16.751 10.354 320 HE22 GLN 40 1HE2 GLN 40 -0.101 -17.232 11.826 321 H SER 41 H SER 41 5.688 -11.787 12.427 322 HA SER 41 HA SER 41 7.339 -12.979 10.383 323 HB2 SER 41 2HB SER 41 7.775 -10.767 11.464 324 HB3 SER 41 3HB SER 41 8.318 -11.665 12.904 325 HG SER 41 HG SER 41 9.888 -11.060 11.103 326 HA PRO 42 HA PRO 42 8.734 -16.602 12.571 327 HB2 PRO 42 2HB PRO 42 10.892 -16.469 10.466 328 HB3 PRO 42 3HB PRO 42 9.948 -17.886 11.017 329 HG2 PRO 42 2HG PRO 42 9.350 -16.664 8.667 330 HG3 PRO 42 3HG PRO 42 8.033 -17.192 9.770 331 HD2 PRO 42 2HD PRO 42 9.217 -14.411 9.467 332 HD3 PRO 42 3HD PRO 42 7.501 -14.912 9.544 333 H MET 43 H MET 43 10.382 -13.588 12.056 334 HA MET 43 HA MET 43 12.524 -14.300 14.009 335 HB2 MET 43 2HB MET 43 14.149 -13.248 12.720 336 HB3 MET 43 3HB MET 43 13.220 -14.280 11.643 337 HG2 MET 43 2HG MET 43 11.915 -11.854 11.371 338 HG3 MET 43 3HG MET 43 13.562 -11.334 11.676 339 HE1 MET 43 3HE MET 43 11.969 -14.426 9.837 340 HE2 MET 43 1HE MET 43 11.033 -13.029 9.271 341 HE3 MET 43 2HE MET 43 12.070 -13.918 8.134 342 H PHE 44 H PHE 44 9.885 -12.453 13.967 343 HA PHE 44 HA PHE 44 11.024 -10.457 15.830 344 HB2 PHE 44 2HB PHE 44 11.011 -9.298 13.683 345 HB3 PHE 44 3HB PHE 44 9.337 -9.741 13.403 346 HD1 PHE 44 HD1 PHE 44 11.548 -7.781 15.711 347 HD2 PHE 44 HD2 PHE 44 7.559 -8.374 14.181 348 HE1 PHE 44 HE1 PHE 44 10.789 -5.722 16.880 349 HE2 PHE 44 HE2 PHE 44 6.806 -6.312 15.342 350 HZ PHE 44 HZ PHE 44 8.419 -4.987 16.699 351 H ASP 45 H ASP 45 9.466 -9.525 17.238 352 HA ASP 45 HA ASP 45 7.541 -11.550 18.116 353 HB2 ASP 45 2HB ASP 45 8.562 -9.014 19.440 354 HB3 ASP 45 3HB ASP 45 7.499 -10.202 20.201 355 H GLY 46 H GLY 46 6.505 -10.520 15.818 356 HA2 GLY 46 2HA GLY 46 3.901 -9.711 16.345 357 HA3 GLY 46 3HA GLY 46 4.822 -8.212 16.192 358 H LYS 47 H LYS 47 3.606 -7.666 14.398 359 HA LYS 47 HA LYS 47 3.764 -9.291 11.922 360 HB2 LYS 47 2HB LYS 47 2.088 -6.866 12.682 361 HB3 LYS 47 3HB LYS 47 1.959 -7.737 11.163 362 HG2 LYS 47 2HG LYS 47 1.639 -9.354 13.705 363 HG3 LYS 47 3HG LYS 47 0.377 -8.194 13.347 364 HD2 LYS 47 2HD LYS 47 1.305 -10.378 11.454 365 HD3 LYS 47 3HD LYS 47 -0.073 -10.527 12.537 366 HE2 LYS 47 2HE LYS 47 0.191 -8.445 10.328 367 HE3 LYS 47 3HE LYS 47 -0.669 -9.972 10.159 368 HZ1 LYS 47 3HZ LYS 47 -1.407 -7.824 12.095 369 HZ2 LYS 47 1HZ LYS 47 -2.176 -8.148 10.698 370 HZ3 LYS 47 2HZ LYS 47 -2.195 -9.256 11.907 371 H VAL 48 H VAL 48 4.784 -8.613 10.109 372 HA VAL 48 HA VAL 48 6.265 -6.028 10.199 373 HB VAL 48 HB VAL 48 8.168 -7.100 9.117 374 HG11 VAL 48 1HG1 VAL 48 7.425 -8.453 11.745 375 HG12 VAL 48 2HG1 VAL 48 9.058 -8.225 11.091 376 HG13 VAL 48 3HG1 VAL 48 8.102 -6.820 11.583 377 HG21 VAL 48 3HG2 VAL 48 6.768 -9.754 9.641 378 HG22 VAL 48 1HG2 VAL 48 7.109 -9.050 8.048 379 HG23 VAL 48 2HG2 VAL 48 8.442 -9.541 9.099 380 HA PRO 49 HA PRO 49 4.523 -5.408 6.241 381 HB2 PRO 49 2HB PRO 49 5.890 -3.238 5.314 382 HB3 PRO 49 3HB PRO 49 4.838 -3.165 6.757 383 HG2 PRO 49 2HG PRO 49 7.851 -3.520 6.650 384 HG3 PRO 49 3HG PRO 49 6.904 -2.393 7.671 385 HD2 PRO 49 2HD PRO 49 7.808 -4.820 8.574 386 HD3 PRO 49 3HD PRO 49 6.266 -4.103 9.128 387 H HIS 50 H HIS 50 4.600 -6.394 4.310 388 HA HIS 50 HA HIS 50 7.181 -6.665 2.795 389 HB2 HIS 50 2HB HIS 50 4.445 -7.979 2.595 390 HB3 HIS 50 3HB HIS 50 5.580 -7.998 1.255 391 HD2 HIS 50 HD2 HIS 50 6.760 -8.433 4.901 392 HE1 HIS 50 HE1 HIS 50 7.269 -12.200 2.970 393 HE2 HIS 50 HE2 HIS 50 7.763 -10.872 5.086 394 H TRP 51 H TRP 51 7.616 -4.733 1.832 395 HA TRP 51 HA TRP 51 5.479 -2.913 1.106 396 HB2 TRP 51 2HB TRP 51 8.470 -2.734 0.665 397 HB3 TRP 51 3HB TRP 51 7.302 -1.452 0.371 398 HD1 TRP 51 HD1 TRP 51 9.272 -3.094 3.109 399 HE1 TRP 51 HE1 TRP 51 8.936 -1.853 5.325 400 HE3 TRP 51 HE3 TRP 51 5.474 0.083 1.705 401 HZ2 TRP 51 HZ2 TRP 51 7.124 0.085 6.420 402 HZ3 TRP 51 HZ3 TRP 51 4.370 1.521 3.448 403 HH2 TRP 51 HH2 TRP 51 5.232 1.556 5.765 404 H TYR 52 H TYR 52 4.890 -2.205 -0.907 405 HA TYR 52 HA TYR 52 6.348 -3.074 -3.279 406 HB2 TYR 52 2HB TYR 52 3.453 -3.480 -3.659 407 HB3 TYR 52 3HB TYR 52 4.862 -4.351 -4.271 408 HD1 TYR 52 HD2 TYR 52 2.730 -4.083 -1.168 409 HD2 TYR 52 HD1 TYR 52 5.347 -6.483 -3.598 410 HE1 TYR 52 HE2 TYR 52 2.080 -6.139 0.131 411 HE2 TYR 52 HE1 TYR 52 4.660 -8.519 -2.334 412 HH TYR 52 HH TYR 52 3.451 -9.357 -0.621 413 H HIS 53 H HIS 53 5.777 -1.764 -5.154 414 HA HIS 53 HA HIS 53 5.062 0.995 -4.714 415 HB2 HIS 53 2HB HIS 53 4.615 -0.689 -7.215 416 HB3 HIS 53 3HB HIS 53 4.543 1.049 -7.134 417 HD2 HIS 53 HD2 HIS 53 6.847 2.417 -6.686 418 HE1 HIS 53 HE1 HIS 53 9.308 -0.548 -8.492 419 HE2 HIS 53 HE2 HIS 53 9.119 1.905 -7.923 420 H PHE 54 H PHE 54 2.981 2.111 -5.028 421 HA PHE 54 HA PHE 54 0.690 0.882 -3.977 422 HB2 PHE 54 2HB PHE 54 0.769 3.220 -4.078 423 HB3 PHE 54 3HB PHE 54 1.080 3.251 -5.807 424 HD1 PHE 54 HD2 PHE 54 -1.618 2.201 -3.353 425 HD2 PHE 54 HD1 PHE 54 -0.674 3.690 -7.290 426 HE1 PHE 54 HE2 PHE 54 -4.034 2.406 -3.862 427 HE2 PHE 54 HE1 PHE 54 -3.091 3.976 -7.745 428 HZ PHE 54 HZ PHE 54 -4.779 3.283 -6.058 429 H SER 55 H SER 55 1.683 1.042 -7.419 430 HA SER 55 HA SER 55 -0.734 -0.198 -8.432 431 HB2 SER 55 2HB SER 55 1.936 0.267 -9.804 432 HB3 SER 55 3HB SER 55 0.380 -0.094 -10.581 433 HG SER 55 HG SER 55 0.819 2.147 -10.602 434 H CYS 56 HN CYS 56 2.227 -1.425 -7.077 435 HA CYS 56 HA CYS 56 2.063 -4.014 -8.397 436 HB2 CYS 56 2HB CYS 56 3.915 -2.881 -6.304 437 HB3 CYS 56 3HB CYS 56 3.986 -4.549 -6.866 438 H PHE 57 H PHE 57 1.168 -2.627 -5.246 439 HA PHE 57 HA PHE 57 0.420 -4.971 -3.839 440 HB2 PHE 57 2HB PHE 57 0.363 -2.704 -2.927 441 HB3 PHE 57 3HB PHE 57 -1.002 -2.288 -3.964 442 HD1 PHE 57 HD2 PHE 57 -3.203 -3.565 -3.686 443 HD2 PHE 57 HD1 PHE 57 0.012 -3.812 -0.821 444 HE1 PHE 57 HE2 PHE 57 -4.755 -4.555 -2.038 445 HE2 PHE 57 HE1 PHE 57 -1.587 -4.667 0.873 446 HZ PHE 57 HZ PHE 57 -3.961 -5.096 0.247 447 H TRP 58 H TRP 58 -1.496 -3.137 -6.272 448 HA TRP 58 HA TRP 58 -3.616 -5.077 -6.326 449 HB2 TRP 58 2HB TRP 58 -3.017 -2.955 -8.390 450 HB3 TRP 58 3HB TRP 58 -4.560 -3.754 -8.066 451 HD1 TRP 58 HD1 TRP 58 -2.627 -0.753 -7.192 452 HE1 TRP 58 HE1 TRP 58 -3.490 0.461 -5.125 453 HE3 TRP 58 HE3 TRP 58 -6.006 -4.252 -5.570 454 HZ2 TRP 58 HZ2 TRP 58 -5.464 -0.000 -3.027 455 HZ3 TRP 58 HZ3 TRP 58 -7.353 -3.830 -3.535 456 HH2 TRP 58 HH2 TRP 58 -7.096 -1.698 -2.283 457 H LYS 59 H LYS 59 -0.519 -5.287 -7.785 458 HA LYS 59 HA LYS 59 -1.276 -7.309 -9.808 459 HB2 LYS 59 2HB LYS 59 1.441 -6.748 -8.605 460 HB3 LYS 59 3HB LYS 59 1.072 -7.833 -9.945 461 HG2 LYS 59 2HG LYS 59 0.248 -5.958 -11.290 462 HG3 LYS 59 3HG LYS 59 0.569 -4.851 -9.948 463 HD2 LYS 59 2HD LYS 59 3.025 -5.580 -10.032 464 HD3 LYS 59 3HD LYS 59 2.608 -6.511 -11.487 465 HE2 LYS 59 2HE LYS 59 3.350 -4.485 -12.379 466 HE3 LYS 59 3HE LYS 59 1.573 -4.353 -12.376 467 HZ1 LYS 59 3HZ LYS 59 2.748 -2.345 -11.488 468 HZ2 LYS 59 1HZ LYS 59 1.713 -3.005 -10.393 469 HZ3 LYS 59 2HZ LYS 59 3.332 -3.227 -10.234 470 H VAL 60 H VAL 60 -0.130 -7.169 -6.427 471 HA VAL 60 HA VAL 60 -0.109 -10.058 -6.012 472 HB VAL 60 HB VAL 60 -0.239 -7.783 -3.986 473 HG11 VAL 60 1HG1 VAL 60 0.626 -9.454 -2.373 474 HG12 VAL 60 2HG1 VAL 60 -1.000 -9.842 -2.926 475 HG13 VAL 60 3HG1 VAL 60 0.390 -10.734 -3.586 476 HG21 VAL 60 3HG2 VAL 60 2.154 -8.202 -3.693 477 HG22 VAL 60 1HG2 VAL 60 2.118 -9.457 -4.948 478 HG23 VAL 60 2HG2 VAL 60 1.834 -7.750 -5.362 479 H GLY 61 H GLY 61 -2.522 -7.492 -5.619 480 HA2 GLY 61 2HA GLY 61 -4.755 -7.632 -6.118 481 HA3 GLY 61 3HA GLY 61 -4.527 -9.332 -6.523 482 H HIS 62 H HIS 62 -3.761 -8.261 -3.255 483 HA HIS 62 HA HIS 62 -5.790 -9.998 -2.082 484 HB2 HIS 62 2HB HIS 62 -3.810 -8.010 -0.926 485 HB3 HIS 62 3HB HIS 62 -5.030 -8.813 0.050 486 HD2 HIS 62 HD2 HIS 62 -3.398 -11.008 -2.644 487 HE1 HIS 62 HE1 HIS 62 -1.682 -12.142 1.088 488 HE2 HIS 62 HE2 HIS 62 -1.874 -12.735 -1.382 489 H SER 63 H SER 63 -7.821 -9.561 -1.541 490 HA SER 63 HA SER 63 -9.012 -7.038 -2.319 491 HB2 SER 63 2HB SER 63 -10.251 -9.430 -0.902 492 HB3 SER 63 3HB SER 63 -11.130 -8.092 -1.664 493 HG SER 63 HG SER 63 -10.959 -9.926 -3.048 494 H ILE 64 H ILE 64 -9.961 -5.483 -1.214 495 HA ILE 64 HA ILE 64 -9.605 -5.371 1.750 496 HB ILE 64 HB ILE 64 -9.299 -3.010 -0.098 497 HG12 ILE 64 2HG1 ILE 64 -7.088 -4.891 0.734 498 HG13 ILE 64 3HG1 ILE 64 -7.530 -4.334 -0.876 499 HG21 ILE 64 1HG2 ILE 64 -9.833 -2.619 2.326 500 HG22 ILE 64 2HG2 ILE 64 -8.359 -3.511 2.760 501 HG23 ILE 64 3HG2 ILE 64 -8.242 -1.986 1.870 502 HD11 ILE 64 3HD1 ILE 64 -6.092 -2.803 1.289 503 HD12 ILE 64 1HD1 ILE 64 -5.585 -3.123 -0.368 504 HD13 ILE 64 2HD1 ILE 64 -6.882 -1.963 -0.067 505 H ARG 65 H ARG 65 -11.398 -4.861 2.811 506 HA ARG 65 HA ARG 65 -13.860 -4.100 1.257 507 HB2 ARG 65 2HB ARG 65 -15.067 -5.713 2.840 508 HB3 ARG 65 3HB ARG 65 -14.191 -6.373 1.477 509 HG2 ARG 65 2HG ARG 65 -12.801 -6.212 4.153 510 HG3 ARG 65 3HG ARG 65 -14.003 -7.456 3.901 511 HD2 ARG 65 2HD ARG 65 -12.737 -8.638 2.419 512 HD3 ARG 65 3HD ARG 65 -11.969 -7.210 1.721 513 HE ARG 65 HE ARG 65 -10.804 -7.143 4.130 514 HH11 ARG 65 1HH2 ARG 65 -11.127 -9.965 2.046 515 HH12 ARG 65 2HH2 ARG 65 -9.649 -10.649 2.666 516 HH21 ARG 65 1HH1 ARG 65 -9.118 -8.013 4.846 517 HH22 ARG 65 2HH1 ARG 65 -8.487 -9.559 4.257 518 H HIS 66 H HIS 66 -12.023 -3.571 4.122 519 HA HIS 66 HA HIS 66 -13.682 -1.176 4.550 520 HB2 HIS 66 2HB HIS 66 -13.578 -1.320 6.984 521 HB3 HIS 66 3HB HIS 66 -14.683 -2.428 6.201 522 HD2 HIS 66 HD2 HIS 66 -12.768 -4.950 5.748 523 HE1 HIS 66 HE1 HIS 66 -12.519 -4.985 9.968 524 HE2 HIS 66 HE2 HIS 66 -12.185 -6.362 7.869 525 HA PRO 67 HA PRO 67 -9.208 -0.824 3.844 526 HB2 PRO 67 2HB PRO 67 -9.230 1.505 2.274 527 HB3 PRO 67 3HB PRO 67 -9.474 -0.142 1.634 528 HG2 PRO 67 2HG PRO 67 -11.590 1.851 2.469 529 HG3 PRO 67 3HG PRO 67 -11.503 0.891 0.950 530 HD2 PRO 67 2HD PRO 67 -13.051 0.084 2.972 531 HD3 PRO 67 3HD PRO 67 -12.041 -1.123 2.115 532 H ASP 68 H ASP 68 -11.322 1.714 5.117 533 HA ASP 68 HA ASP 68 -9.204 3.395 6.089 534 HB2 ASP 68 2HB ASP 68 -11.495 4.204 5.739 535 HB3 ASP 68 3HB ASP 68 -12.127 3.021 6.881 536 H VAL 69 H VAL 69 -10.432 0.373 7.121 537 HA VAL 69 HA VAL 69 -9.277 0.549 9.848 538 HB VAL 69 HB VAL 69 -10.986 -1.651 8.644 539 HG11 VAL 69 1HG1 VAL 69 -10.342 -0.933 11.535 540 HG12 VAL 69 2HG1 VAL 69 -11.454 -2.217 11.007 541 HG13 VAL 69 3HG1 VAL 69 -9.735 -2.345 10.638 542 HG21 VAL 69 3HG2 VAL 69 -11.891 0.761 10.268 543 HG22 VAL 69 1HG2 VAL 69 -12.354 0.352 8.595 544 HG23 VAL 69 2HG2 VAL 69 -12.889 -0.673 9.922 545 H GLU 70 H GLU 70 -9.132 -1.272 6.808 546 HA GLU 70 HA GLU 70 -7.129 -3.175 7.889 547 HB2 GLU 70 2HB GLU 70 -8.394 -2.942 5.116 548 HB3 GLU 70 3HB GLU 70 -7.384 -4.278 5.681 549 HG2 GLU 70 2HG GLU 70 -9.065 -4.875 7.370 550 HG3 GLU 70 3HG GLU 70 -10.111 -3.571 6.804 551 H VAL 71 H VAL 71 -7.067 -0.384 5.771 552 HA VAL 71 HA VAL 71 -4.192 -0.858 5.085 553 HB VAL 71 HB VAL 71 -5.945 1.365 4.058 554 HG11 VAL 71 1HG1 VAL 71 -3.319 0.091 3.169 555 HG12 VAL 71 2HG1 VAL 71 -4.145 1.496 2.441 556 HG13 VAL 71 3HG1 VAL 71 -3.458 1.605 4.083 557 HG21 VAL 71 3HG2 VAL 71 -5.273 -1.363 2.865 558 HG22 VAL 71 1HG2 VAL 71 -6.893 -0.779 3.283 559 HG23 VAL 71 2HG2 VAL 71 -6.002 -0.008 1.964 560 H ASP 72 H ASP 72 -3.205 -0.609 6.958 561 HA ASP 72 HA ASP 72 -3.468 1.583 8.791 562 HB2 ASP 72 2HB ASP 72 -2.380 -0.543 9.244 563 HB3 ASP 72 3HB ASP 72 -1.138 -0.223 8.034 564 H GLY 73 H GLY 73 -2.600 3.634 8.733 565 HA2 GLY 73 2HA GLY 73 -1.395 5.476 7.963 566 HA3 GLY 73 3HA GLY 73 -0.657 4.484 6.704 567 H PHE 74 H PHE 74 -3.981 3.990 6.397 568 HA PHE 74 HA PHE 74 -4.403 5.629 4.113 569 HB2 PHE 74 2HB PHE 74 -5.741 3.674 4.768 570 HB3 PHE 74 3HB PHE 74 -6.367 4.537 6.168 571 HD1 PHE 74 HD1 PHE 74 -6.349 4.357 2.450 572 HD2 PHE 74 HD2 PHE 74 -8.232 6.060 5.937 573 HE1 PHE 74 HE1 PHE 74 -8.248 5.153 1.048 574 HE2 PHE 74 HE2 PHE 74 -10.131 6.835 4.529 575 HZ PHE 74 HZ PHE 74 -10.111 6.411 2.088 576 H SER 75 H SER 75 -4.809 6.375 7.559 577 HA SER 75 HA SER 75 -5.946 8.997 7.258 578 HB2 SER 75 2HB SER 75 -4.318 7.862 9.559 579 HB3 SER 75 3HB SER 75 -5.416 9.254 9.620 580 HG SER 75 HG SER 75 -6.420 7.337 10.384 581 H GLU 76 H GLU 76 -2.711 7.943 6.646 582 HA GLU 76 HA GLU 76 -1.457 10.568 7.220 583 HB2 GLU 76 2HB GLU 76 -0.290 8.015 6.046 584 HB3 GLU 76 3HB GLU 76 0.609 9.470 6.448 585 HG2 GLU 76 2HG GLU 76 0.195 9.213 8.804 586 HG3 GLU 76 3HG GLU 76 -0.982 7.931 8.534 587 H LEU 77 H LEU 77 -3.178 9.115 4.672 588 HA LEU 77 HA LEU 77 -1.897 10.571 2.461 589 HB2 LEU 77 2HB LEU 77 -4.429 8.911 2.594 590 HB3 LEU 77 3HB LEU 77 -3.710 9.549 1.123 591 HG LEU 77 HG LEU 77 -2.474 7.434 2.941 592 HD11 LEU 77 1HD1 LEU 77 -4.426 6.652 1.670 593 HD12 LEU 77 2HD1 LEU 77 -3.764 7.337 0.173 594 HD13 LEU 77 3HD1 LEU 77 -2.950 5.983 0.958 595 HD21 LEU 77 3HD2 LEU 77 -1.495 8.508 0.270 596 HD22 LEU 77 1HD2 LEU 77 -0.709 8.771 1.845 597 HD23 LEU 77 2HD2 LEU 77 -0.806 7.142 1.179 598 H ARG 78 H ARG 78 -3.121 11.979 1.045 599 HA ARG 78 HA ARG 78 -5.140 13.710 2.383 600 HB2 ARG 78 2HB ARG 78 -3.564 13.941 -0.219 601 HB3 ARG 78 3HB ARG 78 -4.941 14.980 0.106 602 HG2 ARG 78 2HG ARG 78 -2.506 14.787 1.929 603 HG3 ARG 78 3HG ARG 78 -2.755 16.019 0.685 604 HD2 ARG 78 2HD ARG 78 -4.860 16.732 1.796 605 HD3 ARG 78 3HD ARG 78 -4.608 15.565 3.080 606 HE ARG 78 HE ARG 78 -3.213 18.115 2.683 607 HH11 ARG 78 1HH2 ARG 78 -3.024 15.066 4.412 608 HH12 ARG 78 2HH2 ARG 78 -1.953 15.721 5.619 609 HH21 ARG 78 1HH1 ARG 78 -1.851 18.874 4.255 610 HH22 ARG 78 2HH1 ARG 78 -1.311 17.819 5.528 611 H TRP 79 H TRP 79 -7.012 14.368 1.198 612 HA TRP 79 HA TRP 79 -8.745 12.247 1.027 613 HB2 TRP 79 2HB TRP 79 -9.967 14.057 1.434 614 HB3 TRP 79 3HB TRP 79 -8.862 15.130 0.601 615 HD1 TRP 79 HD1 TRP 79 -12.067 13.161 0.011 616 HE1 TRP 79 HE1 TRP 79 -13.113 13.880 -2.225 617 HE3 TRP 79 HE3 TRP 79 -8.260 16.072 -1.740 618 HZ2 TRP 79 HZ2 TRP 79 -12.405 15.578 -4.467 619 HZ3 TRP 79 HZ3 TRP 79 -8.438 17.207 -3.943 620 HH2 TRP 79 HH2 TRP 79 -10.507 16.972 -5.314 621 H ASP 80 H ASP 80 -7.062 13.734 -1.753 622 HA ASP 80 HA ASP 80 -8.632 12.378 -3.718 623 HB2 ASP 80 2HB ASP 80 -7.365 14.484 -4.102 624 HB3 ASP 80 3HB ASP 80 -5.864 13.553 -4.054 625 H ASP 81 H ASP 81 -5.789 11.335 -1.922 626 HA ASP 81 HA ASP 81 -5.355 8.977 -3.664 627 HB2 ASP 81 2HB ASP 81 -3.907 10.017 -1.212 628 HB3 ASP 81 3HB ASP 81 -3.589 8.445 -1.949 629 H GLN 82 H GLN 82 -6.716 9.885 -0.461 630 HA GLN 82 HA GLN 82 -7.410 7.271 0.404 631 HB2 GLN 82 2HB GLN 82 -8.662 10.009 0.801 632 HB3 GLN 82 3HB GLN 82 -9.371 8.568 1.521 633 HG2 GLN 82 2HG GLN 82 -7.289 8.065 2.699 634 HG3 GLN 82 3HG GLN 82 -6.503 9.466 1.965 635 HE21 GLN 82 2HE2 GLN 82 -6.537 9.214 4.725 636 HE22 GLN 82 1HE2 GLN 82 -7.593 10.473 5.380 637 H GLN 83 H GLN 83 -9.442 9.570 -1.563 638 HA GLN 83 HA GLN 83 -11.512 7.645 -1.921 639 HB2 GLN 83 2HB GLN 83 -12.506 9.140 -3.457 640 HB3 GLN 83 3HB GLN 83 -11.788 10.089 -2.157 641 HG2 GLN 83 2HG GLN 83 -9.833 10.560 -3.680 642 HG3 GLN 83 3HG GLN 83 -10.677 9.733 -4.983 643 HE21 GLN 83 2HE2 GLN 83 -9.966 12.387 -5.493 644 HE22 GLN 83 1HE2 GLN 83 -11.411 13.370 -5.363 645 H LYS 84 H LYS 84 -8.482 7.989 -3.666 646 HA LYS 84 HA LYS 84 -9.322 6.309 -5.921 647 HB2 LYS 84 2HB LYS 84 -7.951 8.252 -6.310 648 HB3 LYS 84 3HB LYS 84 -6.762 7.708 -5.131 649 HG2 LYS 84 2HG LYS 84 -7.263 5.745 -7.316 650 HG3 LYS 84 3HG LYS 84 -6.674 7.302 -7.893 651 HD2 LYS 84 2HD LYS 84 -5.353 5.780 -5.622 652 HD3 LYS 84 3HD LYS 84 -4.864 5.617 -7.330 653 HE2 LYS 84 2HE LYS 84 -4.353 8.027 -7.456 654 HE3 LYS 84 3HE LYS 84 -4.956 8.268 -5.819 655 HZ1 LYS 84 3HZ LYS 84 -2.463 6.938 -6.617 656 HZ2 LYS 84 1HZ LYS 84 -2.724 8.132 -5.497 657 HZ3 LYS 84 2HZ LYS 84 -3.154 6.598 -5.164 658 H VAL 85 H VAL 85 -7.378 5.972 -2.920 659 HA VAL 85 HA VAL 85 -6.673 3.180 -3.408 660 HB VAL 85 HB VAL 85 -6.962 4.844 -0.875 661 HG11 VAL 85 1HG1 VAL 85 -6.071 1.927 -1.019 662 HG12 VAL 85 2HG1 VAL 85 -5.836 2.998 0.374 663 HG13 VAL 85 3HG1 VAL 85 -7.470 2.574 -0.122 664 HG21 VAL 85 3HG2 VAL 85 -4.467 3.526 -2.003 665 HG22 VAL 85 1HG2 VAL 85 -4.960 5.170 -2.448 666 HG23 VAL 85 2HG2 VAL 85 -4.584 4.782 -0.764 667 H LYS 86 H LYS 86 -9.481 4.716 -1.723 668 HA LYS 86 HA LYS 86 -10.904 2.269 -1.236 669 HB2 LYS 86 2HB LYS 86 -11.930 5.106 -1.687 670 HB3 LYS 86 3HB LYS 86 -12.932 3.741 -1.191 671 HG2 LYS 86 2HG LYS 86 -11.491 3.466 0.859 672 HG3 LYS 86 3HG LYS 86 -10.583 4.886 0.388 673 HD2 LYS 86 2HD LYS 86 -12.173 5.615 2.004 674 HD3 LYS 86 3HD LYS 86 -12.755 6.211 0.441 675 HE2 LYS 86 2HE LYS 86 -14.304 4.219 0.350 676 HE3 LYS 86 3HE LYS 86 -13.694 3.721 1.937 677 HZ1 LYS 86 3HZ LYS 86 -14.565 5.810 2.850 678 HZ2 LYS 86 1HZ LYS 86 -15.122 6.273 1.384 679 HZ3 LYS 86 2HZ LYS 86 -15.769 4.977 2.132 680 H LYS 87 H LYS 87 -11.102 4.488 -4.072 681 HA LYS 87 HA LYS 87 -12.983 2.886 -5.542 682 HB2 LYS 87 2HB LYS 87 -12.499 5.233 -6.009 683 HB3 LYS 87 3HB LYS 87 -10.897 4.796 -6.639 684 HG2 LYS 87 2HG LYS 87 -11.880 3.534 -8.457 685 HG3 LYS 87 3HG LYS 87 -13.497 3.615 -7.723 686 HD2 LYS 87 2HD LYS 87 -13.502 6.057 -7.959 687 HD3 LYS 87 3HD LYS 87 -11.919 6.014 -8.749 688 HE2 LYS 87 2HE LYS 87 -14.444 4.621 -9.773 689 HE3 LYS 87 3HE LYS 87 -13.912 6.220 -10.302 690 HZ1 LYS 87 3HZ LYS 87 -13.169 4.528 -11.848 691 HZ2 LYS 87 1HZ LYS 87 -11.863 5.200 -11.142 692 HZ3 LYS 87 2HZ LYS 87 -12.369 3.710 -10.687 693 H THR 88 H THR 88 -9.394 2.814 -5.606 694 HA THR 88 HA THR 88 -9.200 0.776 -7.547 695 HB THR 88 HB THR 88 -7.145 1.375 -5.409 696 HG1 THR 88 1HG THR 88 -7.606 3.218 -6.554 697 HG21 THR 88 1HG2 THR 88 -7.019 0.211 -8.222 698 HG22 THR 88 2HG2 THR 88 -5.615 0.592 -7.201 699 HG23 THR 88 3HG2 THR 88 -6.729 -0.699 -6.725 700 H ALA 89 H ALA 89 -9.735 0.504 -4.032 701 HA ALA 89 HA ALA 89 -9.323 -2.354 -3.902 702 HB1 ALA 89 1HB ALA 89 -10.869 -0.431 -2.109 703 HB2 ALA 89 2HB ALA 89 -10.455 -2.108 -1.729 704 HB3 ALA 89 3HB ALA 89 -9.165 -0.899 -1.930 705 H GLU 90 H GLU 90 -12.133 -0.245 -4.603 706 HA GLU 90 HA GLU 90 -13.970 -2.477 -4.844 707 HB2 GLU 90 2HB GLU 90 -14.165 0.399 -5.823 708 HB3 GLU 90 3HB GLU 90 -15.453 -0.798 -5.972 709 HG2 GLU 90 2HG GLU 90 -15.456 -1.085 -3.490 710 HG3 GLU 90 3HG GLU 90 -14.260 0.204 -3.357 711 H ALA 91 H ALA 91 -11.921 -0.706 -7.112 712 HA ALA 91 HA ALA 91 -12.955 -1.928 -9.507 713 HB1 ALA 91 1HB ALA 91 -10.433 -0.298 -8.952 714 HB2 ALA 91 2HB ALA 91 -11.136 -0.616 -10.552 715 HB3 ALA 91 3HB ALA 91 -12.023 0.363 -9.362 716 H GLY 92 H GLY 92 -10.346 -2.818 -7.311 717 HA2 GLY 92 2HA GLY 92 -9.106 -4.757 -7.174 718 HA3 GLY 92 3HA GLY 92 -9.867 -5.375 -8.641 719 H GLY 93 H GLY 93 -8.470 -2.226 -9.033 720 HA2 GLY 93 2HA GLY 93 -5.781 -2.619 -9.541 721 HA3 GLY 93 3HA GLY 93 -6.589 -3.159 -11.015 722 H VAL 94 H VAL 94 -4.848 -0.823 -10.315 723 HA VAL 94 HA VAL 94 -6.563 1.494 -11.022 724 HB VAL 94 HB VAL 94 -5.156 1.779 -9.087 725 HG11 VAL 94 1HG1 VAL 94 -2.716 1.979 -9.230 726 HG12 VAL 94 2HG1 VAL 94 -3.227 0.343 -9.649 727 HG13 VAL 94 3HG1 VAL 94 -2.748 1.480 -10.929 728 HG21 VAL 94 3HG2 VAL 94 -4.111 3.556 -11.303 729 HG22 VAL 94 1HG2 VAL 94 -5.737 3.709 -10.577 730 HG23 VAL 94 2HG2 VAL 94 -4.293 3.936 -9.591 731 H THR 95 H THR 95 -6.259 2.783 -12.799 732 HA THR 95 HA THR 95 -4.989 1.487 -15.134 733 HB THR 95 HB THR 95 -6.346 3.145 -16.405 734 HG1 THR 95 1HG THR 95 -7.842 4.369 -15.237 735 HG21 THR 95 1HG2 THR 95 -7.980 1.608 -14.321 736 HG22 THR 95 2HG2 THR 95 -8.542 2.170 -15.912 737 HG23 THR 95 3HG2 THR 95 -7.302 0.908 -15.807 738 H GLY 96 H GLY 96 -4.342 4.220 -13.122 739 HA2 GLY 96 2HA GLY 96 -2.712 5.539 -15.128 740 HA3 GLY 96 3HA GLY 96 -2.852 6.001 -13.427 741 H LYS 97 H LYS 97 -0.431 6.123 -14.710 742 HA LYS 97 HA LYS 97 1.120 3.646 -14.272 743 HB2 LYS 97 2HB LYS 97 1.990 6.330 -15.406 744 HB3 LYS 97 3HB LYS 97 2.893 4.822 -15.478 745 HG2 LYS 97 2HG LYS 97 0.260 5.412 -16.898 746 HG3 LYS 97 3HG LYS 97 1.865 5.326 -17.618 747 HD2 LYS 97 2HD LYS 97 2.001 2.898 -17.002 748 HD3 LYS 97 3HD LYS 97 0.379 3.005 -16.308 749 HE2 LYS 97 2HE LYS 97 0.124 2.048 -18.462 750 HE3 LYS 97 3HE LYS 97 -0.529 3.684 -18.528 751 HZ1 LYS 97 3HZ LYS 97 2.162 2.879 -19.517 752 HZ2 LYS 97 1HZ LYS 97 0.865 3.170 -20.460 753 HZ3 LYS 97 2HZ LYS 97 1.540 4.389 -19.618 754 H GLY 98 H GLY 98 0.635 6.536 -12.457 755 HA2 GLY 98 2HA GLY 98 1.531 7.247 -10.435 756 HA3 GLY 98 3HA GLY 98 2.335 5.686 -10.295 757 H GLN 99 H GLN 99 4.191 6.682 -9.422 758 HA GLN 99 HA GLN 99 6.053 7.825 -11.433 759 HB2 GLN 99 2HB GLN 99 5.187 9.703 -10.139 760 HB3 GLN 99 3HB GLN 99 5.623 8.919 -8.618 761 HG2 GLN 99 2HG GLN 99 7.956 9.206 -9.010 762 HG3 GLN 99 3HG GLN 99 7.719 9.493 -10.739 763 HE21 GLN 99 2HE2 GLN 99 7.164 11.055 -7.477 764 HE22 GLN 99 1HE2 GLN 99 7.179 12.660 -8.173 765 H ASP 100 H ASP 100 8.144 7.060 -11.299 766 HA ASP 100 HA ASP 100 8.834 5.154 -9.137 767 HB2 ASP 100 2HB ASP 100 7.660 3.958 -11.015 768 HB3 ASP 100 3HB ASP 100 8.987 4.435 -12.078 769 H GLY 101 H GLY 101 11.096 4.335 -9.369 770 HA2 GLY 101 2HA GLY 101 13.216 5.840 -10.578 771 HA3 GLY 101 3HA GLY 101 12.874 6.476 -8.963 772 H ILE 102 H ILE 102 14.527 5.678 -7.708 773 HA ILE 102 HA ILE 102 14.596 2.758 -7.302 774 HB ILE 102 HB ILE 102 16.303 3.326 -9.057 775 HG12 ILE 102 2HG1 ILE 102 18.191 2.072 -8.160 776 HG13 ILE 102 3HG1 ILE 102 17.559 2.198 -6.525 777 HG21 ILE 102 1HG2 ILE 102 17.792 4.752 -6.810 778 HG22 ILE 102 2HG2 ILE 102 18.370 4.465 -8.459 779 HG23 ILE 102 3HG2 ILE 102 16.999 5.545 -8.193 780 HD11 ILE 102 3HD1 ILE 102 16.157 0.800 -8.853 781 HD12 ILE 102 1HD1 ILE 102 17.102 -0.006 -7.584 782 HD13 ILE 102 2HD1 ILE 102 15.597 0.823 -7.165 783 H GLY 103 H GLY 103 15.109 5.921 -5.874 784 HA2 GLY 103 2HA GLY 103 14.823 4.736 -3.281 785 HA3 GLY 103 3HA GLY 103 16.514 5.120 -3.590 786 H SER 104 H SER 104 16.867 6.804 -2.210 787 HA SER 104 HA SER 104 14.893 8.710 -1.464 788 HB2 SER 104 2HB SER 104 17.860 8.644 -0.859 789 HB3 SER 104 3HB SER 104 16.651 9.638 -0.019 790 HG SER 104 HG SER 104 17.153 7.609 1.021 791 H LYS 105 H LYS 105 15.372 8.986 -4.265 792 HA LYS 105 HA LYS 105 15.633 10.398 -5.978 793 HB2 LYS 105 2HB LYS 105 13.875 11.517 -4.669 794 HB3 LYS 105 3HB LYS 105 15.093 12.571 -3.932 795 HG2 LYS 105 2HG LYS 105 15.713 13.419 -6.191 796 HG3 LYS 105 3HG LYS 105 14.498 12.370 -6.926 797 HD2 LYS 105 2HD LYS 105 13.912 14.609 -4.934 798 HD3 LYS 105 3HD LYS 105 13.829 14.763 -6.693 799 HE2 LYS 105 2HE LYS 105 12.101 12.925 -6.730 800 HE3 LYS 105 3HE LYS 105 12.098 12.944 -4.960 801 HZ1 LYS 105 3HZ LYS 105 10.323 14.361 -5.854 802 HZ2 LYS 105 1HZ LYS 105 11.415 15.298 -5.076 803 HZ3 LYS 105 2HZ LYS 105 11.395 15.247 -6.708 804 H ALA 106 H ALA 106 17.520 12.054 -3.407 805 HA ALA 106 HA ALA 106 19.916 12.059 -5.052 806 HB1 ALA 106 1HB ALA 106 18.768 14.058 -5.943 807 HB2 ALA 106 2HB ALA 106 18.558 14.690 -4.294 808 HB3 ALA 106 3HB ALA 106 20.187 14.525 -4.987 809 H GLU 107 H GLU 107 21.616 11.907 -3.785 810 HA GLU 107 HA GLU 107 21.551 12.698 -0.900 811 HB2 GLU 107 2HB GLU 107 22.578 10.067 -2.039 812 HB3 GLU 107 3HB GLU 107 22.827 10.629 -0.383 813 HG2 GLU 107 2HG GLU 107 20.352 10.684 -0.042 814 HG3 GLU 107 3HG GLU 107 20.128 10.015 -1.662 815 H LYS 108 H LYS 108 23.642 12.987 0.072 816 HA LYS 108 HA LYS 108 25.896 13.673 -1.766 817 HB2 LYS 108 2HB LYS 108 24.806 15.379 0.512 818 HB3 LYS 108 3HB LYS 108 26.296 15.699 -0.364 819 HG2 LYS 108 2HG LYS 108 23.504 15.714 -1.599 820 HG3 LYS 108 3HG LYS 108 24.416 17.131 -1.082 821 HD2 LYS 108 2HD LYS 108 26.198 16.609 -2.732 822 HD3 LYS 108 3HD LYS 108 25.263 15.207 -3.294 823 HE2 LYS 108 2HE LYS 108 23.370 16.698 -3.882 824 HE3 LYS 108 3HE LYS 108 24.302 18.099 -3.335 825 HZ1 LYS 108 3HZ LYS 108 24.467 17.812 -5.739 826 HZ2 LYS 108 1HZ LYS 108 25.940 17.604 -5.072 827 HZ3 LYS 108 2HZ LYS 108 25.080 16.310 -5.577 Start of MODEL 25 1 H1 MET 1 H1 MET 1 6.779 -0.918 24.472 2 H2 MET 1 H2 MET 1 5.785 -0.950 25.769 3 H3 MET 1 H3 MET 1 6.519 0.448 25.340 4 HA MET 1 HA MET 1 4.206 0.485 24.702 5 HB2 MET 1 2HB MET 1 5.858 1.747 23.359 6 HB3 MET 1 3HB MET 1 6.100 0.342 22.316 7 HG2 MET 1 2HG MET 1 4.611 2.034 21.318 8 HG3 MET 1 3HG MET 1 3.814 0.481 21.511 9 HE1 MET 1 1HE MET 1 1.457 1.465 21.090 10 HE2 MET 1 2HE MET 1 0.814 2.912 21.897 11 HE3 MET 1 3HE MET 1 2.201 3.053 20.795 12 H ALA 2 H ALA 2 2.427 -0.478 23.697 13 HA ALA 2 HA ALA 2 2.481 -3.369 23.487 14 HB1 ALA 2 1HB ALA 2 0.598 -2.121 24.476 15 HB2 ALA 2 2HB ALA 2 0.281 -1.342 22.906 16 HB3 ALA 2 3HB ALA 2 0.071 -3.095 23.092 17 H GLU 3 H GLU 3 1.759 -4.626 21.691 18 HA GLU 3 HA GLU 3 3.076 -4.108 19.248 19 HB2 GLU 3 2HB GLU 3 0.760 -6.043 19.664 20 HB3 GLU 3 3HB GLU 3 1.968 -6.066 18.386 21 HG2 GLU 3 2HG GLU 3 2.912 -7.635 19.702 22 HG3 GLU 3 3HG GLU 3 3.676 -6.239 20.446 23 H SER 4 H SER 4 2.533 -3.254 17.321 24 HA SER 4 HA SER 4 -0.122 -1.897 17.064 25 HB2 SER 4 2HB SER 4 2.582 -1.133 15.920 26 HB3 SER 4 3HB SER 4 1.064 -0.258 15.664 27 HG SER 4 HG SER 4 2.263 -0.757 18.207 28 H SER 5 H SER 5 1.115 -4.657 15.879 29 HA SER 5 HA SER 5 0.575 -4.230 13.027 30 HB2 SER 5 2HB SER 5 1.362 -6.488 12.694 31 HB3 SER 5 3HB SER 5 2.515 -5.547 13.641 32 HG SER 5 HG SER 5 2.058 -6.714 15.418 33 H ASP 6 H ASP 6 -1.655 -3.675 14.452 34 HA ASP 6 HA ASP 6 -3.448 -5.973 14.184 35 HB2 ASP 6 2HB ASP 6 -3.349 -4.614 16.274 36 HB3 ASP 6 3HB ASP 6 -3.992 -3.237 15.379 37 H LYS 7 H LYS 7 -2.566 -5.117 11.741 38 HA LYS 7 HA LYS 7 -5.037 -4.478 10.327 39 HB2 LYS 7 2HB LYS 7 -3.915 -2.952 8.780 40 HB3 LYS 7 3HB LYS 7 -4.049 -2.287 10.390 41 HG2 LYS 7 2HG LYS 7 -1.530 -3.762 9.736 42 HG3 LYS 7 3HG LYS 7 -1.786 -2.227 8.911 43 HD2 LYS 7 2HD LYS 7 -1.998 -1.045 11.039 44 HD3 LYS 7 3HD LYS 7 -1.954 -2.553 11.927 45 HE2 LYS 7 2HE LYS 7 0.183 -1.462 12.143 46 HE3 LYS 7 3HE LYS 7 0.368 -2.962 11.237 47 HZ1 LYS 7 3HZ LYS 7 0.298 -0.224 10.048 48 HZ2 LYS 7 1HZ LYS 7 1.619 -1.161 10.224 49 HZ3 LYS 7 2HZ LYS 7 0.442 -1.619 9.187 50 H LEU 8 H LEU 8 -4.536 -4.882 7.907 51 HA LEU 8 HA LEU 8 -2.626 -7.188 7.560 52 HB2 LEU 8 2HB LEU 8 -5.037 -6.357 5.869 53 HB3 LEU 8 3HB LEU 8 -4.029 -7.772 5.597 54 HG LEU 8 HG LEU 8 -5.862 -7.381 8.009 55 HD11 LEU 8 1HD1 LEU 8 -7.328 -8.973 6.853 56 HD12 LEU 8 2HD1 LEU 8 -7.073 -7.506 5.884 57 HD13 LEU 8 3HD1 LEU 8 -6.213 -9.002 5.461 58 HD21 LEU 8 3HD2 LEU 8 -5.502 -9.807 8.336 59 HD22 LEU 8 1HD2 LEU 8 -4.336 -9.818 6.993 60 HD23 LEU 8 2HD2 LEU 8 -3.984 -8.906 8.479 61 H TYR 9 H TYR 9 -3.491 -3.918 6.658 62 HA TYR 9 HA TYR 9 -1.650 -4.016 4.333 63 HB2 TYR 9 2HB TYR 9 -4.430 -2.820 4.348 64 HB3 TYR 9 3HB TYR 9 -3.324 -2.885 2.980 65 HD1 TYR 9 HD1 TYR 9 -2.443 -5.697 2.990 66 HD2 TYR 9 HD2 TYR 9 -6.318 -4.003 3.708 67 HE1 TYR 9 HE1 TYR 9 -3.486 -7.878 2.393 68 HE2 TYR 9 HE2 TYR 9 -7.380 -6.164 3.104 69 HH TYR 9 HH TYR 9 -5.427 -9.058 2.217 70 H ARG 10 H ARG 10 -0.780 -2.102 3.750 71 HA ARG 10 HA ARG 10 -1.032 0.253 5.564 72 HB2 ARG 10 2HB ARG 10 0.935 -1.089 6.200 73 HB3 ARG 10 3HB ARG 10 1.414 -1.181 4.521 74 HG2 ARG 10 2HG ARG 10 2.918 0.299 5.501 75 HG3 ARG 10 3HG ARG 10 1.842 1.319 4.550 76 HD2 ARG 10 2HD ARG 10 0.506 1.669 6.720 77 HD3 ARG 10 3HD ARG 10 1.845 0.865 7.560 78 HE ARG 10 HE ARG 10 3.044 2.947 6.120 79 HH11 ARG 10 1HH2 ARG 10 0.680 2.806 8.775 80 HH12 ARG 10 2HH2 ARG 10 0.942 4.509 9.097 81 HH21 ARG 10 1HH1 ARG 10 3.338 4.935 6.715 82 HH22 ARG 10 2HH1 ARG 10 2.232 5.745 7.854 83 H VAL 11 H VAL 11 -0.901 2.245 4.481 84 HA VAL 11 HA VAL 11 0.193 2.344 1.745 85 HB VAL 11 HB VAL 11 -2.333 2.096 1.623 86 HG11 VAL 11 1HG1 VAL 11 -2.377 5.036 2.432 87 HG12 VAL 11 2HG1 VAL 11 -3.750 4.012 1.985 88 HG13 VAL 11 3HG1 VAL 11 -2.862 3.730 3.499 89 HG21 VAL 11 3HG2 VAL 11 -2.519 3.677 -0.227 90 HG22 VAL 11 1HG2 VAL 11 -1.197 4.672 0.418 91 HG23 VAL 11 2HG2 VAL 11 -0.857 3.071 -0.223 92 H GLU 12 H GLU 12 1.351 4.210 1.345 93 HA GLU 12 HA GLU 12 0.956 6.632 2.922 94 HB2 GLU 12 2HB GLU 12 3.170 6.687 3.968 95 HB3 GLU 12 3HB GLU 12 2.269 5.294 4.542 96 HG2 GLU 12 2HG GLU 12 3.535 3.831 2.953 97 HG3 GLU 12 3HG GLU 12 4.441 5.242 2.396 98 H TYR 13 H TYR 13 2.160 8.387 2.343 99 HA TYR 13 HA TYR 13 3.629 8.399 -0.206 100 HB2 TYR 13 2HB TYR 13 3.441 10.472 2.007 101 HB3 TYR 13 3HB TYR 13 4.097 10.715 0.394 102 HD1 TYR 13 HD1 TYR 13 1.741 9.081 -1.024 103 HD2 TYR 13 HD2 TYR 13 1.836 12.255 1.897 104 HE1 TYR 13 HE1 TYR 13 -0.381 9.990 -1.937 105 HE2 TYR 13 HE2 TYR 13 -0.338 13.110 1.027 106 HH TYR 13 HH TYR 13 -1.897 11.675 -1.868 107 H ALA 14 H ALA 14 5.552 7.535 -0.310 108 HA ALA 14 HA ALA 14 6.826 6.258 1.798 109 HB1 ALA 14 1HB ALA 14 7.849 7.121 -0.937 110 HB2 ALA 14 2HB ALA 14 8.632 5.898 0.088 111 HB3 ALA 14 3HB ALA 14 6.998 5.624 -0.562 112 H LYS 15 H LYS 15 8.149 6.847 3.368 113 HA LYS 15 HA LYS 15 9.064 9.621 3.587 114 HB2 LYS 15 2HB LYS 15 9.478 7.318 5.531 115 HB3 LYS 15 3HB LYS 15 9.589 9.039 5.882 116 HG2 LYS 15 2HG LYS 15 7.055 7.492 5.172 117 HG3 LYS 15 3HG LYS 15 7.531 8.078 6.762 118 HD2 LYS 15 2HD LYS 15 7.305 10.421 6.015 119 HD3 LYS 15 3HD LYS 15 6.955 9.883 4.368 120 HE2 LYS 15 2HE LYS 15 4.868 10.448 5.369 121 HE3 LYS 15 3HE LYS 15 4.929 8.698 5.158 122 HZ1 LYS 15 3HZ LYS 15 5.394 10.144 7.717 123 HZ2 LYS 15 1HZ LYS 15 4.057 9.280 7.334 124 HZ3 LYS 15 2HZ LYS 15 5.483 8.516 7.539 125 H SER 16 H SER 16 10.636 6.542 3.043 126 HA SER 16 HA SER 16 13.264 7.856 2.579 127 HB2 SER 16 2HB SER 16 12.850 5.498 4.471 128 HB3 SER 16 3HB SER 16 14.415 6.154 3.956 129 HG SER 16 HG SER 16 13.749 6.967 6.003 130 H GLY 17 H GLY 17 14.459 6.905 1.023 131 HA2 GLY 17 2HA GLY 17 13.260 4.891 -0.707 132 HA3 GLY 17 3HA GLY 17 14.759 5.778 -0.977 133 H ARG 18 H ARG 18 13.694 3.558 1.619 134 HA ARG 18 HA ARG 18 16.147 1.853 1.200 135 HB2 ARG 18 2HB ARG 18 14.481 2.308 3.706 136 HB3 ARG 18 3HB ARG 18 15.876 1.245 3.594 137 HG2 ARG 18 2HG ARG 18 15.962 4.272 3.237 138 HG3 ARG 18 3HG ARG 18 16.361 3.378 4.702 139 HD2 ARG 18 2HD ARG 18 18.150 2.160 3.355 140 HD3 ARG 18 3HD ARG 18 17.876 3.351 2.065 141 HE ARG 18 HE ARG 18 18.218 4.928 4.286 142 HH11 ARG 18 1HH2 ARG 18 20.365 2.525 2.855 143 HH12 ARG 18 2HH2 ARG 18 21.688 3.015 3.875 144 HH21 ARG 18 1HH1 ARG 18 19.984 5.521 5.471 145 HH22 ARG 18 2HH1 ARG 18 21.501 4.709 5.236 146 H ALA 19 H ALA 19 12.723 1.748 0.967 147 HA ALA 19 HA ALA 19 12.418 -1.068 1.642 148 HB1 ALA 19 1HB ALA 19 10.074 -0.679 1.030 149 HB2 ALA 19 2HB ALA 19 10.655 0.582 2.129 150 HB3 ALA 19 3HB ALA 19 10.486 0.921 0.388 151 H SER 20 H SER 20 11.754 -2.734 0.221 152 HA SER 20 HA SER 20 12.453 -2.374 -2.650 153 HB2 SER 20 2HB SER 20 13.315 -4.653 -2.691 154 HB3 SER 20 3HB SER 20 14.266 -3.563 -1.671 155 HG SER 20 HG SER 20 13.921 -5.562 -0.628 156 H CYS 21 HN CYS 21 11.136 -3.251 -4.135 157 HA CYS 21 HA CYS 21 8.405 -3.707 -3.223 158 HB2 CYS 21 2HB CYS 21 9.081 -2.226 -5.101 159 HB3 CYS 21 3HB CYS 21 9.614 -3.660 -5.998 160 H LYS 22 H LYS 22 7.710 -5.640 -2.619 161 HA LYS 22 HA LYS 22 9.230 -8.030 -3.155 162 HB2 LYS 22 2HB LYS 22 6.482 -7.931 -1.890 163 HB3 LYS 22 3HB LYS 22 7.704 -9.166 -1.673 164 HG2 LYS 22 2HG LYS 22 7.803 -6.293 -0.719 165 HG3 LYS 22 3HG LYS 22 7.469 -7.683 0.276 166 HD2 LYS 22 2HD LYS 22 10.127 -7.090 -1.093 167 HD3 LYS 22 3HD LYS 22 9.744 -6.832 0.615 168 HE2 LYS 22 2HE LYS 22 9.321 -9.264 0.901 169 HE3 LYS 22 3HE LYS 22 9.737 -9.537 -0.798 170 HZ1 LYS 22 3HZ LYS 22 11.971 -8.679 -0.318 171 HZ2 LYS 22 1HZ LYS 22 11.588 -8.436 1.251 172 HZ3 LYS 22 2HZ LYS 22 11.641 -9.952 0.648 173 H LYS 23 H LYS 23 7.070 -6.632 -5.227 174 HA LYS 23 HA LYS 23 6.223 -9.246 -6.421 175 HB2 LYS 23 2HB LYS 23 4.363 -7.858 -5.714 176 HB3 LYS 23 3HB LYS 23 4.973 -6.498 -6.651 177 HG2 LYS 23 2HG LYS 23 3.086 -7.568 -7.761 178 HG3 LYS 23 3HG LYS 23 4.543 -7.688 -8.745 179 HD2 LYS 23 2HD LYS 23 4.848 -10.053 -8.021 180 HD3 LYS 23 3HD LYS 23 3.403 -9.925 -6.997 181 HE2 LYS 23 2HE LYS 23 2.029 -9.461 -9.002 182 HE3 LYS 23 3HE LYS 23 3.470 -9.519 -10.024 183 HZ1 LYS 23 3HZ LYS 23 2.260 -11.628 -10.057 184 HZ2 LYS 23 1HZ LYS 23 3.742 -11.857 -9.418 185 HZ3 LYS 23 2HZ LYS 23 2.428 -11.818 -8.446 186 H CYS 24 HN CYS 24 7.388 -5.984 -7.489 187 HA CYS 24 HA CYS 24 8.173 -7.250 -10.046 188 HB2 CYS 24 2HB CYS 24 8.256 -5.185 -11.039 189 HB3 CYS 24 3HB CYS 24 6.795 -5.189 -10.055 190 H SER 25 H SER 25 9.677 -6.777 -7.133 191 HA SER 25 HA SER 25 11.750 -6.990 -6.362 192 HB2 SER 25 2HB SER 25 12.480 -8.135 -9.065 193 HB3 SER 25 3HB SER 25 13.406 -8.293 -7.563 194 HG SER 25 HG SER 25 12.060 -10.116 -7.960 195 H GLU 26 H GLU 26 11.045 -4.479 -7.902 196 HA GLU 26 HA GLU 26 13.767 -3.289 -8.217 197 HB2 GLU 26 2HB GLU 26 11.015 -2.070 -8.604 198 HB3 GLU 26 3HB GLU 26 12.542 -1.287 -8.967 199 HG2 GLU 26 2HG GLU 26 11.574 -3.792 -10.410 200 HG3 GLU 26 3HG GLU 26 11.256 -2.152 -10.935 201 H SER 27 H SER 27 13.417 -0.775 -7.165 202 HA SER 27 HA SER 27 12.726 -1.229 -4.294 203 HB2 SER 27 2HB SER 27 15.093 0.353 -5.276 204 HB3 SER 27 3HB SER 27 14.597 0.030 -3.587 205 HG SER 27 HG SER 27 16.252 -1.409 -4.233 206 H ILE 28 H ILE 28 11.965 0.506 -3.079 207 HA ILE 28 HA ILE 28 10.263 2.136 -4.852 208 HB ILE 28 HB ILE 28 9.898 1.546 -1.915 209 HG12 ILE 28 2HG1 ILE 28 8.539 0.098 -4.225 210 HG13 ILE 28 3HG1 ILE 28 9.926 -0.562 -3.355 211 HG21 ILE 28 1HG2 ILE 28 7.556 2.204 -2.374 212 HG22 ILE 28 2HG2 ILE 28 8.644 3.534 -2.746 213 HG23 ILE 28 3HG2 ILE 28 7.958 2.556 -4.058 214 HD11 ILE 28 3HD1 ILE 28 7.222 0.027 -2.126 215 HD12 ILE 28 1HD1 ILE 28 7.981 -1.543 -2.424 216 HD13 ILE 28 2HD1 ILE 28 8.678 -0.450 -1.222 217 HA PRO 29 HA PRO 29 12.718 5.687 -3.451 218 HB2 PRO 29 2HB PRO 29 11.635 7.642 -5.017 219 HB3 PRO 29 3HB PRO 29 12.689 6.365 -5.681 220 HG2 PRO 29 2HG PRO 29 9.661 6.457 -5.662 221 HG3 PRO 29 3HG PRO 29 10.746 6.081 -7.037 222 HD2 PRO 29 2HD PRO 29 9.547 4.147 -5.508 223 HD3 PRO 29 3HD PRO 29 11.168 3.915 -6.221 224 H LYS 30 H LYS 30 12.409 7.624 -2.224 225 HA LYS 30 HA LYS 30 9.933 7.873 -0.690 226 HB2 LYS 30 2HB LYS 30 10.935 9.714 0.448 227 HB3 LYS 30 3HB LYS 30 11.994 8.306 0.427 228 HG2 LYS 30 2HG LYS 30 13.346 9.304 -1.361 229 HG3 LYS 30 3HG LYS 30 12.253 10.708 -1.426 230 HD2 LYS 30 2HD LYS 30 12.837 11.333 0.867 231 HD3 LYS 30 3HD LYS 30 13.832 9.863 1.054 232 HE2 LYS 30 2HE LYS 30 15.257 10.556 -0.803 233 HE3 LYS 30 3HE LYS 30 14.261 11.995 -1.068 234 HZ1 LYS 30 3HZ LYS 30 14.932 12.787 1.147 235 HZ2 LYS 30 1HZ LYS 30 15.848 11.455 1.397 236 HZ3 LYS 30 2HZ LYS 30 16.260 12.520 0.239 237 H ASP 31 H ASP 31 8.752 9.908 -0.535 238 HA ASP 31 HA ASP 31 7.193 11.227 -1.456 239 HB2 ASP 31 2HB ASP 31 9.199 12.676 -1.655 240 HB3 ASP 31 3HB ASP 31 9.368 12.179 -3.337 241 H SER 32 H SER 32 7.042 8.652 -2.293 242 HA SER 32 HA SER 32 5.453 8.874 -4.778 243 HB2 SER 32 2HB SER 32 7.711 7.902 -5.337 244 HB3 SER 32 3HB SER 32 7.353 6.561 -4.231 245 HG SER 32 HG SER 32 6.828 6.170 -6.476 246 H LEU 33 H LEU 33 3.902 6.902 -4.877 247 HA LEU 33 HA LEU 33 2.787 6.586 -2.146 248 HB2 LEU 33 2HB LEU 33 1.371 7.573 -3.954 249 HB3 LEU 33 3HB LEU 33 1.523 6.061 -4.851 250 HG LEU 33 HG LEU 33 0.458 4.880 -2.873 251 HD11 LEU 33 1HD1 LEU 33 -0.925 6.241 -1.341 252 HD12 LEU 33 2HD1 LEU 33 0.794 6.553 -1.100 253 HD13 LEU 33 3HD1 LEU 33 -0.202 7.716 -1.999 254 HD21 LEU 33 3HD2 LEU 33 -1.197 7.084 -4.157 255 HD22 LEU 33 1HD2 LEU 33 -0.792 5.524 -4.925 256 HD23 LEU 33 2HD2 LEU 33 -1.815 5.559 -3.478 257 H ARG 34 H ARG 34 2.968 4.739 -1.080 258 HA ARG 34 HA ARG 34 3.444 2.183 -2.529 259 HB2 ARG 34 2HB ARG 34 5.276 1.559 -1.174 260 HB3 ARG 34 3HB ARG 34 5.615 3.129 -1.901 261 HG2 ARG 34 2HG ARG 34 5.169 4.248 0.253 262 HG3 ARG 34 3HG ARG 34 4.769 2.684 0.999 263 HD2 ARG 34 2HD ARG 34 7.035 1.838 0.513 264 HD3 ARG 34 3HD ARG 34 7.439 3.353 -0.308 265 HE ARG 34 HE ARG 34 6.609 3.690 2.497 266 HH11 ARG 34 1HH2 ARG 34 9.443 3.220 0.462 267 HH12 ARG 34 2HH2 ARG 34 10.496 3.914 1.665 268 HH21 ARG 34 1HH1 ARG 34 7.908 4.366 3.930 269 HH22 ARG 34 2HH1 ARG 34 9.665 4.259 3.751 270 H MET 35 H MET 35 3.059 0.318 -1.357 271 HA MET 35 HA MET 35 1.235 0.557 0.955 272 HB2 MET 35 2HB MET 35 0.791 -1.087 -1.576 273 HB3 MET 35 3HB MET 35 -0.062 -1.407 -0.056 274 HG2 MET 35 2HG MET 35 -0.915 0.909 -0.053 275 HG3 MET 35 3HG MET 35 -0.136 1.198 -1.611 276 HE1 MET 35 3HE MET 35 -2.418 -1.811 -0.164 277 HE2 MET 35 1HE MET 35 -3.084 -0.245 0.375 278 HE3 MET 35 2HE MET 35 -3.985 -1.235 -0.792 279 H ALA 36 H ALA 36 1.020 -1.492 2.172 280 HA ALA 36 HA ALA 36 3.250 -3.349 1.818 281 HB1 ALA 36 1HB ALA 36 3.672 -1.207 3.542 282 HB2 ALA 36 2HB ALA 36 3.230 -2.529 4.636 283 HB3 ALA 36 3HB ALA 36 4.584 -2.730 3.519 284 H ILE 37 H ILE 37 3.155 -5.223 3.367 285 HA ILE 37 HA ILE 37 0.379 -5.749 4.321 286 HB ILE 37 HB ILE 37 2.004 -7.148 2.281 287 HG12 ILE 37 2HG1 ILE 37 -0.948 -7.254 3.006 288 HG13 ILE 37 3HG1 ILE 37 -0.216 -5.943 2.066 289 HG21 ILE 37 1HG2 ILE 37 0.466 -8.850 4.272 290 HG22 ILE 37 2HG2 ILE 37 1.177 -9.380 2.712 291 HG23 ILE 37 3HG2 ILE 37 2.236 -8.855 4.010 292 HD11 ILE 37 3HD1 ILE 37 0.475 -7.586 0.340 293 HD12 ILE 37 1HD1 ILE 37 -0.403 -8.850 1.237 294 HD13 ILE 37 2HD1 ILE 37 -1.284 -7.469 0.564 295 H MET 38 H MET 38 0.094 -6.790 6.216 296 HA MET 38 HA MET 38 2.495 -7.184 7.881 297 HB2 MET 38 2HB MET 38 -0.442 -7.620 8.505 298 HB3 MET 38 3HB MET 38 0.865 -7.762 9.675 299 HG2 MET 38 2HG MET 38 0.294 -5.172 8.192 300 HG3 MET 38 3HG MET 38 -0.528 -5.652 9.663 301 HE1 MET 38 3HE MET 38 2.804 -4.971 8.058 302 HE2 MET 38 1HE MET 38 3.843 -4.335 9.372 303 HE3 MET 38 2HE MET 38 3.565 -6.080 9.231 304 H VAL 39 H VAL 39 3.647 -8.909 7.938 305 HA VAL 39 HA VAL 39 2.228 -11.527 8.118 306 HB VAL 39 HB VAL 39 3.060 -11.392 5.847 307 HG11 VAL 39 1HG1 VAL 39 5.863 -11.143 7.007 308 HG12 VAL 39 2HG1 VAL 39 5.420 -11.358 5.301 309 HG13 VAL 39 3HG1 VAL 39 4.977 -9.867 6.143 310 HG21 VAL 39 3HG2 VAL 39 4.732 -13.386 7.396 311 HG22 VAL 39 1HG2 VAL 39 3.006 -13.584 6.992 312 HG23 VAL 39 2HG2 VAL 39 4.216 -13.476 5.706 313 H GLN 40 H GLN 40 3.044 -12.996 9.504 314 HA GLN 40 HA GLN 40 4.801 -12.076 11.643 315 HB2 GLN 40 2HB GLN 40 4.460 -14.528 12.392 316 HB3 GLN 40 3HB GLN 40 3.121 -13.390 12.484 317 HG2 GLN 40 2HG GLN 40 2.064 -14.282 10.510 318 HG3 GLN 40 3HG GLN 40 3.463 -15.296 10.134 319 HE21 GLN 40 2HE2 GLN 40 3.937 -17.147 11.644 320 HE22 GLN 40 1HE2 GLN 40 2.602 -17.805 12.580 321 H SER 41 H SER 41 6.926 -12.344 11.852 322 HA SER 41 HA SER 41 8.349 -13.434 9.544 323 HB2 SER 41 2HB SER 41 8.772 -11.154 10.288 324 HB3 SER 41 3HB SER 41 9.296 -11.754 11.872 325 HG SER 41 HG SER 41 10.861 -11.343 9.912 326 HA PRO 42 HA PRO 42 10.259 -16.695 11.921 327 HB2 PRO 42 2HB PRO 42 11.863 -17.796 10.022 328 HB3 PRO 42 3HB PRO 42 10.079 -17.944 9.954 329 HG2 PRO 42 2HG PRO 42 11.841 -15.945 8.512 330 HG3 PRO 42 3HG PRO 42 10.531 -16.955 7.821 331 HD2 PRO 42 2HD PRO 42 10.162 -14.331 8.641 332 HD3 PRO 42 3HD PRO 42 8.861 -15.551 8.712 333 H MET 43 H MET 43 11.716 -13.872 10.583 334 HA MET 43 HA MET 43 14.406 -14.393 11.748 335 HB2 MET 43 2HB MET 43 13.401 -12.339 9.794 336 HB3 MET 43 3HB MET 43 15.008 -12.282 10.510 337 HG2 MET 43 2HG MET 43 15.765 -14.199 9.461 338 HG3 MET 43 3HG MET 43 14.151 -14.857 9.200 339 HE1 MET 43 3HE MET 43 12.392 -13.181 8.068 340 HE2 MET 43 1HE MET 43 12.655 -12.919 6.320 341 HE3 MET 43 2HE MET 43 12.749 -14.556 7.012 342 H PHE 44 H PHE 44 11.593 -12.281 12.080 343 HA PHE 44 HA PHE 44 12.885 -10.721 14.273 344 HB2 PHE 44 2HB PHE 44 12.296 -9.368 12.363 345 HB3 PHE 44 3HB PHE 44 10.669 -10.023 12.327 346 HD1 PHE 44 HD1 PHE 44 13.008 -8.054 14.516 347 HD2 PHE 44 HD2 PHE 44 8.916 -8.939 13.479 348 HE1 PHE 44 HE1 PHE 44 12.226 -6.259 16.049 349 HE2 PHE 44 HE2 PHE 44 8.139 -7.137 14.998 350 HZ PHE 44 HZ PHE 44 9.792 -5.802 16.293 351 H ASP 45 H ASP 45 11.563 -10.096 16.053 352 HA ASP 45 HA ASP 45 10.089 -12.403 17.105 353 HB2 ASP 45 2HB ASP 45 11.982 -11.354 18.313 354 HB3 ASP 45 3HB ASP 45 11.039 -9.874 18.489 355 H GLY 46 H GLY 46 8.508 -11.450 15.225 356 HA2 GLY 46 2HA GLY 46 5.955 -11.035 16.146 357 HA3 GLY 46 3HA GLY 46 6.624 -9.398 16.131 358 H LYS 47 H LYS 47 5.363 -8.604 14.495 359 HA LYS 47 HA LYS 47 5.455 -9.977 11.850 360 HB2 LYS 47 2HB LYS 47 3.345 -8.006 12.754 361 HB3 LYS 47 3HB LYS 47 3.353 -9.011 11.306 362 HG2 LYS 47 2HG LYS 47 3.636 -10.934 13.277 363 HG3 LYS 47 3HG LYS 47 2.701 -9.727 14.145 364 HD2 LYS 47 2HD LYS 47 2.017 -11.095 11.522 365 HD3 LYS 47 3HD LYS 47 1.313 -11.464 13.095 366 HE2 LYS 47 2HE LYS 47 0.997 -8.836 11.572 367 HE3 LYS 47 3HE LYS 47 -0.178 -10.154 11.590 368 HZ1 LYS 47 3HZ LYS 47 -0.445 -9.808 13.990 369 HZ2 LYS 47 1HZ LYS 47 0.666 -8.595 13.990 370 HZ3 LYS 47 2HZ LYS 47 -0.730 -8.393 13.204 371 H VAL 48 H VAL 48 5.685 -8.893 9.985 372 HA VAL 48 HA VAL 48 7.118 -6.286 10.152 373 HB VAL 48 HB VAL 48 8.727 -7.151 8.513 374 HG11 VAL 48 1HG1 VAL 48 9.221 -7.189 10.958 375 HG12 VAL 48 2HG1 VAL 48 8.610 -8.852 11.044 376 HG13 VAL 48 3HG1 VAL 48 10.051 -8.483 10.079 377 HG21 VAL 48 3HG2 VAL 48 7.447 -9.876 9.000 378 HG22 VAL 48 1HG2 VAL 48 7.472 -8.985 7.471 379 HG23 VAL 48 2HG2 VAL 48 8.984 -9.587 8.158 380 HA PRO 49 HA PRO 49 4.631 -5.374 6.596 381 HB2 PRO 49 2HB PRO 49 5.637 -2.965 5.798 382 HB3 PRO 49 3HB PRO 49 4.762 -3.179 7.343 383 HG2 PRO 49 2HG PRO 49 7.760 -3.131 6.887 384 HG3 PRO 49 3HG PRO 49 6.816 -2.272 8.141 385 HD2 PRO 49 2HD PRO 49 8.108 -4.673 8.575 386 HD3 PRO 49 3HD PRO 49 6.609 -4.204 9.432 387 H HIS 50 H HIS 50 4.663 -6.241 4.595 388 HA HIS 50 HA HIS 50 7.182 -6.376 2.977 389 HB2 HIS 50 2HB HIS 50 4.511 -7.804 2.916 390 HB3 HIS 50 3HB HIS 50 5.538 -7.755 1.492 391 HD2 HIS 50 HD2 HIS 50 7.089 -8.076 4.994 392 HE1 HIS 50 HE1 HIS 50 7.611 -11.844 3.067 393 HE2 HIS 50 HE2 HIS 50 8.248 -10.451 5.102 394 H TRP 51 H TRP 51 7.541 -4.394 2.126 395 HA TRP 51 HA TRP 51 5.390 -2.663 1.278 396 HB2 TRP 51 2HB TRP 51 8.380 -2.422 0.846 397 HB3 TRP 51 3HB TRP 51 7.185 -1.159 0.579 398 HD1 TRP 51 HD1 TRP 51 9.205 -2.810 3.285 399 HE1 TRP 51 HE1 TRP 51 8.862 -1.612 5.523 400 HE3 TRP 51 HE3 TRP 51 5.343 0.308 1.961 401 HZ2 TRP 51 HZ2 TRP 51 7.024 0.287 6.657 402 HZ3 TRP 51 HZ3 TRP 51 4.253 1.737 3.710 403 HH2 TRP 51 HH2 TRP 51 5.119 1.760 6.024 404 H TYR 52 H TYR 52 4.728 -2.126 -0.781 405 HA TYR 52 HA TYR 52 6.285 -3.004 -3.120 406 HB2 TYR 52 2HB TYR 52 3.337 -3.322 -3.394 407 HB3 TYR 52 3HB TYR 52 4.687 -4.087 -4.235 408 HD1 TYR 52 HD1 TYR 52 3.041 -4.191 -0.817 409 HD2 TYR 52 HD2 TYR 52 4.914 -6.314 -4.060 410 HE1 TYR 52 HE1 TYR 52 2.448 -6.364 0.255 411 HE2 TYR 52 HE2 TYR 52 4.274 -8.484 -3.013 412 HH TYR 52 HH TYR 52 2.541 -8.653 0.108 413 H HIS 53 H HIS 53 5.734 -1.719 -5.039 414 HA HIS 53 HA HIS 53 4.971 1.051 -4.630 415 HB2 HIS 53 2HB HIS 53 4.638 -0.623 -7.149 416 HB3 HIS 53 3HB HIS 53 4.540 1.109 -7.047 417 HD2 HIS 53 HD2 HIS 53 6.852 2.494 -6.471 418 HE1 HIS 53 HE1 HIS 53 9.349 -0.429 -8.304 419 HE2 HIS 53 HE2 HIS 53 9.170 2.014 -7.621 420 H PHE 54 H PHE 54 2.911 2.112 -5.129 421 HA PHE 54 HA PHE 54 0.637 1.042 -4.009 422 HB2 PHE 54 2HB PHE 54 0.639 3.329 -4.430 423 HB3 PHE 54 3HB PHE 54 1.051 3.149 -6.124 424 HD1 PHE 54 HD2 PHE 54 -1.754 2.380 -3.708 425 HD2 PHE 54 HD1 PHE 54 -0.613 3.253 -7.779 426 HE1 PHE 54 HE2 PHE 54 -4.142 2.353 -4.392 427 HE2 PHE 54 HE1 PHE 54 -3.003 3.223 -8.451 428 HZ PHE 54 HZ PHE 54 -4.765 2.761 -6.762 429 H SER 55 H SER 55 1.431 0.773 -7.545 430 HA SER 55 HA SER 55 -1.056 -0.617 -8.136 431 HB2 SER 55 2HB SER 55 0.069 -0.869 -10.406 432 HB3 SER 55 3HB SER 55 -0.294 0.757 -9.811 433 HG SER 55 HG SER 55 2.229 -0.523 -9.981 434 H CYS 56 HN CYS 56 2.293 -1.568 -7.455 435 HA CYS 56 HA CYS 56 2.164 -4.193 -8.383 436 HB2 CYS 56 2HB CYS 56 3.836 -2.871 -6.242 437 HB3 CYS 56 3HB CYS 56 4.084 -4.533 -6.765 438 H PHE 57 H PHE 57 1.149 -2.869 -5.257 439 HA PHE 57 HA PHE 57 0.568 -5.168 -3.722 440 HB2 PHE 57 2HB PHE 57 0.403 -2.899 -2.900 441 HB3 PHE 57 3HB PHE 57 -0.948 -2.558 -3.973 442 HD1 PHE 57 HD2 PHE 57 -3.145 -3.810 -3.667 443 HD2 PHE 57 HD1 PHE 57 0.036 -3.956 -0.760 444 HE1 PHE 57 HE2 PHE 57 -4.738 -4.661 -1.982 445 HE2 PHE 57 HE1 PHE 57 -1.596 -4.709 0.956 446 HZ PHE 57 HZ PHE 57 -3.969 -5.112 0.342 447 H TRP 58 H TRP 58 -1.587 -3.515 -6.092 448 HA TRP 58 HA TRP 58 -3.657 -5.526 -5.899 449 HB2 TRP 58 2HB TRP 58 -3.268 -3.475 -8.093 450 HB3 TRP 58 3HB TRP 58 -4.753 -4.279 -7.611 451 HD1 TRP 58 HD1 TRP 58 -2.621 -1.318 -6.941 452 HE1 TRP 58 HE1 TRP 58 -3.470 0.125 -5.027 453 HE3 TRP 58 HE3 TRP 58 -6.326 -4.415 -5.187 454 HZ2 TRP 58 HZ2 TRP 58 -5.556 0.002 -3.018 455 HZ3 TRP 58 HZ3 TRP 58 -7.723 -3.706 -3.284 456 HH2 TRP 58 HH2 TRP 58 -7.335 -1.507 -2.192 457 H LYS 59 H LYS 59 -0.867 -5.070 -8.007 458 HA LYS 59 HA LYS 59 -1.456 -7.090 -9.959 459 HB2 LYS 59 2HB LYS 59 0.143 -5.146 -10.098 460 HB3 LYS 59 3HB LYS 59 1.209 -6.028 -8.998 461 HG2 LYS 59 2HG LYS 59 1.619 -7.744 -10.626 462 HG3 LYS 59 3HG LYS 59 0.332 -7.119 -11.678 463 HD2 LYS 59 2HD LYS 59 2.529 -6.436 -12.550 464 HD3 LYS 59 3HD LYS 59 1.588 -5.037 -12.026 465 HE2 LYS 59 2HE LYS 59 2.897 -5.340 -9.751 466 HE3 LYS 59 3HE LYS 59 4.014 -6.311 -10.699 467 HZ1 LYS 59 3HZ LYS 59 4.470 -3.843 -10.442 468 HZ2 LYS 59 1HZ LYS 59 4.532 -4.390 -12.006 469 HZ3 LYS 59 2HZ LYS 59 3.241 -3.543 -11.452 470 H VAL 60 H VAL 60 -0.259 -7.381 -6.623 471 HA VAL 60 HA VAL 60 0.527 -10.181 -6.929 472 HB VAL 60 HB VAL 60 -0.642 -9.096 -4.378 473 HG11 VAL 60 1HG1 VAL 60 1.112 -10.604 -3.364 474 HG12 VAL 60 2HG1 VAL 60 -0.060 -11.479 -4.335 475 HG13 VAL 60 3HG1 VAL 60 1.554 -11.129 -4.996 476 HG21 VAL 60 3HG2 VAL 60 2.186 -8.598 -5.362 477 HG22 VAL 60 1HG2 VAL 60 0.967 -7.396 -4.881 478 HG23 VAL 60 2HG2 VAL 60 1.662 -8.436 -3.668 479 H GLY 61 H GLY 61 -2.564 -8.609 -6.949 480 HA2 GLY 61 2HA GLY 61 -4.611 -9.604 -7.485 481 HA3 GLY 61 3HA GLY 61 -4.030 -11.184 -6.965 482 H HIS 62 H HIS 62 -3.411 -8.610 -4.706 483 HA HIS 62 HA HIS 62 -5.169 -9.742 -2.709 484 HB2 HIS 62 2HB HIS 62 -3.511 -7.209 -2.744 485 HB3 HIS 62 3HB HIS 62 -4.447 -7.756 -1.353 486 HD2 HIS 62 HD2 HIS 62 -1.054 -7.817 -2.409 487 HE1 HIS 62 HE1 HIS 62 -1.413 -11.604 -0.479 488 HE2 HIS 62 HE2 HIS 62 0.232 -9.884 -1.381 489 H SER 63 H SER 63 -6.904 -8.804 -1.634 490 HA SER 63 HA SER 63 -8.406 -6.618 -2.986 491 HB2 SER 63 2HB SER 63 -10.486 -7.809 -2.659 492 HB3 SER 63 3HB SER 63 -9.384 -8.794 -3.633 493 HG SER 63 HG SER 63 -10.357 -10.066 -2.032 494 H ILE 64 H ILE 64 -9.871 -5.479 -1.671 495 HA ILE 64 HA ILE 64 -9.498 -5.574 1.275 496 HB ILE 64 HB ILE 64 -9.119 -3.014 -0.309 497 HG12 ILE 64 2HG1 ILE 64 -6.908 -4.850 0.669 498 HG13 ILE 64 3HG1 ILE 64 -7.231 -4.327 -0.982 499 HG21 ILE 64 1HG2 ILE 64 -8.239 -2.169 1.839 500 HG22 ILE 64 2HG2 ILE 64 -9.864 -2.822 2.064 501 HG23 ILE 64 3HG2 ILE 64 -8.446 -3.767 2.567 502 HD11 ILE 64 3HD1 ILE 64 -6.821 -1.912 -0.080 503 HD12 ILE 64 1HD1 ILE 64 -6.029 -2.758 1.274 504 HD13 ILE 64 2HD1 ILE 64 -5.445 -2.981 -0.374 505 H ARG 65 H ARG 65 -11.358 -5.003 2.329 506 HA ARG 65 HA ARG 65 -13.746 -4.358 0.603 507 HB2 ARG 65 2HB ARG 65 -15.010 -5.934 2.174 508 HB3 ARG 65 3HB ARG 65 -14.051 -6.617 0.884 509 HG2 ARG 65 2HG ARG 65 -12.848 -6.357 3.652 510 HG3 ARG 65 3HG ARG 65 -13.980 -7.649 3.314 511 HD2 ARG 65 2HD ARG 65 -12.516 -8.840 2.084 512 HD3 ARG 65 3HD ARG 65 -11.915 -7.426 1.215 513 HE ARG 65 HE ARG 65 -10.863 -7.202 3.815 514 HH11 ARG 65 1HH2 ARG 65 -10.383 -9.324 1.033 515 HH12 ARG 65 2HH2 ARG 65 -8.726 -9.579 1.481 516 HH21 ARG 65 1HH1 ARG 65 -8.928 -7.638 4.305 517 HH22 ARG 65 2HH1 ARG 65 -7.870 -8.598 3.266 518 H HIS 66 H HIS 66 -12.143 -3.656 3.569 519 HA HIS 66 HA HIS 66 -13.928 -1.324 3.792 520 HB2 HIS 66 2HB HIS 66 -14.023 -1.400 6.235 521 HB3 HIS 66 3HB HIS 66 -15.005 -2.587 5.408 522 HD2 HIS 66 HD2 HIS 66 -12.803 -4.978 5.185 523 HE1 HIS 66 HE1 HIS 66 -13.065 -4.929 9.409 524 HE2 HIS 66 HE2 HIS 66 -12.367 -6.302 7.396 525 HA PRO 67 HA PRO 67 -9.411 -0.867 3.453 526 HB2 PRO 67 2HB PRO 67 -9.333 1.329 1.720 527 HB3 PRO 67 3HB PRO 67 -9.517 -0.363 1.179 528 HG2 PRO 67 2HG PRO 67 -11.719 1.647 1.732 529 HG3 PRO 67 3HG PRO 67 -11.497 0.633 0.269 530 HD2 PRO 67 2HD PRO 67 -13.186 -0.138 2.182 531 HD3 PRO 67 3HD PRO 67 -12.069 -1.352 1.481 532 H ASP 68 H ASP 68 -11.722 1.668 4.313 533 HA ASP 68 HA ASP 68 -9.842 3.529 5.390 534 HB2 ASP 68 2HB ASP 68 -12.306 3.827 4.770 535 HB3 ASP 68 3HB ASP 68 -12.731 2.951 6.230 536 H VAL 69 H VAL 69 -11.032 0.493 6.524 537 HA VAL 69 HA VAL 69 -10.107 0.878 9.304 538 HB VAL 69 HB VAL 69 -11.575 -1.493 8.104 539 HG11 VAL 69 1HG1 VAL 69 -11.243 -0.561 10.984 540 HG12 VAL 69 2HG1 VAL 69 -12.224 -1.944 10.444 541 HG13 VAL 69 3HG1 VAL 69 -10.473 -1.983 10.241 542 HG21 VAL 69 3HG2 VAL 69 -12.762 0.948 9.482 543 HG22 VAL 69 1HG2 VAL 69 -13.044 0.419 7.804 544 HG23 VAL 69 2HG2 VAL 69 -13.639 -0.563 9.139 545 H GLU 70 H GLU 70 -9.578 -1.085 6.399 546 HA GLU 70 HA GLU 70 -7.613 -2.826 7.769 547 HB2 GLU 70 2HB GLU 70 -8.549 -2.771 4.856 548 HB3 GLU 70 3HB GLU 70 -7.550 -4.026 5.596 549 HG2 GLU 70 2HG GLU 70 -9.387 -4.662 7.089 550 HG3 GLU 70 3HG GLU 70 -10.420 -3.428 6.373 551 H VAL 71 H VAL 71 -7.428 -0.159 5.489 552 HA VAL 71 HA VAL 71 -4.506 -0.583 5.045 553 HB VAL 71 HB VAL 71 -6.237 1.541 3.807 554 HG11 VAL 71 1HG1 VAL 71 -3.531 0.285 3.155 555 HG12 VAL 71 2HG1 VAL 71 -4.345 1.631 2.309 556 HG13 VAL 71 3HG1 VAL 71 -3.751 1.839 3.980 557 HG21 VAL 71 3HG2 VAL 71 -6.091 0.021 1.799 558 HG22 VAL 71 1HG2 VAL 71 -5.423 -1.248 2.863 559 HG23 VAL 71 2HG2 VAL 71 -7.080 -0.663 3.097 560 H ASP 72 H ASP 72 -3.529 -0.160 6.850 561 HA ASP 72 HA ASP 72 -3.926 2.187 8.508 562 HB2 ASP 72 2HB ASP 72 -3.057 0.135 9.381 563 HB3 ASP 72 3HB ASP 72 -1.756 0.100 8.183 564 H GLY 73 H GLY 73 -2.756 4.091 8.523 565 HA2 GLY 73 2HA GLY 73 -1.208 5.729 7.842 566 HA3 GLY 73 3HA GLY 73 -0.605 4.648 6.587 567 H PHE 74 H PHE 74 -3.733 4.420 5.968 568 HA PHE 74 HA PHE 74 -4.078 6.179 3.782 569 HB2 PHE 74 2HB PHE 74 -5.382 4.145 4.345 570 HB3 PHE 74 3HB PHE 74 -6.014 4.927 5.789 571 HD1 PHE 74 HD1 PHE 74 -6.221 4.718 2.111 572 HD2 PHE 74 HD2 PHE 74 -7.822 6.550 5.676 573 HE1 PHE 74 HE1 PHE 74 -8.220 5.459 0.841 574 HE2 PHE 74 HE2 PHE 74 -9.811 7.300 4.399 575 HZ PHE 74 HZ PHE 74 -10.007 6.759 1.983 576 H SER 75 H SER 75 -4.571 6.806 7.247 577 HA SER 75 HA SER 75 -5.893 9.332 7.045 578 HB2 SER 75 2HB SER 75 -4.017 8.293 9.198 579 HB3 SER 75 3HB SER 75 -5.183 9.623 9.370 580 HG SER 75 HG SER 75 -6.025 7.646 10.172 581 H GLU 76 H GLU 76 -2.594 8.525 6.303 582 HA GLU 76 HA GLU 76 -1.567 11.275 6.695 583 HB2 GLU 76 2HB GLU 76 -0.157 8.808 5.607 584 HB3 GLU 76 3HB GLU 76 0.576 10.337 6.070 585 HG2 GLU 76 2HG GLU 76 -0.069 9.976 8.426 586 HG3 GLU 76 3HG GLU 76 -0.857 8.455 8.002 587 H LEU 77 H LEU 77 -3.152 9.532 4.220 588 HA LEU 77 HA LEU 77 -1.897 10.811 1.901 589 HB2 LEU 77 2HB LEU 77 -4.299 9.024 2.357 590 HB3 LEU 77 3HB LEU 77 -4.089 9.846 0.835 591 HG LEU 77 HG LEU 77 -2.113 8.678 0.295 592 HD11 LEU 77 1HD1 LEU 77 -2.139 7.405 3.043 593 HD12 LEU 77 2HD1 LEU 77 -1.097 6.929 1.681 594 HD13 LEU 77 3HD1 LEU 77 -0.919 8.530 2.403 595 HD21 LEU 77 3HD2 LEU 77 -4.273 7.527 -0.054 596 HD22 LEU 77 1HD2 LEU 77 -2.949 6.388 0.212 597 HD23 LEU 77 2HD2 LEU 77 -4.102 6.734 1.520 598 H ARG 78 H ARG 78 -2.860 12.341 0.530 599 HA ARG 78 HA ARG 78 -4.717 14.303 1.659 600 HB2 ARG 78 2HB ARG 78 -2.823 14.742 -0.044 601 HB3 ARG 78 3HB ARG 78 -3.836 13.950 -1.246 602 HG2 ARG 78 2HG ARG 78 -3.993 16.335 -1.471 603 HG3 ARG 78 3HG ARG 78 -5.557 15.715 -0.959 604 HD2 ARG 78 2HD ARG 78 -5.078 16.439 1.374 605 HD3 ARG 78 3HD ARG 78 -3.478 17.010 0.859 606 HE ARG 78 HE ARG 78 -5.388 18.279 -0.793 607 HH11 ARG 78 1HH2 ARG 78 -4.502 18.371 2.597 608 HH12 ARG 78 2HH2 ARG 78 -5.076 20.004 2.794 609 HH21 ARG 78 1HH1 ARG 78 -6.101 20.357 -0.468 610 HH22 ARG 78 2HH1 ARG 78 -5.950 21.094 1.099 611 H TRP 79 H TRP 79 -6.842 14.740 0.740 612 HA TRP 79 HA TRP 79 -8.600 12.597 0.637 613 HB2 TRP 79 2HB TRP 79 -9.954 14.327 0.833 614 HB3 TRP 79 3HB TRP 79 -8.732 15.448 0.284 615 HD1 TRP 79 HD1 TRP 79 -11.902 13.758 -0.820 616 HE1 TRP 79 HE1 TRP 79 -12.595 14.571 -3.155 617 HE3 TRP 79 HE3 TRP 79 -7.642 16.280 -2.089 618 HZ2 TRP 79 HZ2 TRP 79 -11.459 16.173 -5.285 619 HZ3 TRP 79 HZ3 TRP 79 -7.444 17.411 -4.283 620 HH2 TRP 79 HH2 TRP 79 -9.351 17.375 -5.890 621 H ASP 80 H ASP 80 -6.827 13.954 -2.152 622 HA ASP 80 HA ASP 80 -8.363 12.607 -4.117 623 HB2 ASP 80 2HB ASP 80 -6.934 14.602 -4.521 624 HB3 ASP 80 3HB ASP 80 -5.506 13.573 -4.372 625 H ASP 81 H ASP 81 -5.624 11.462 -2.187 626 HA ASP 81 HA ASP 81 -5.415 9.017 -3.808 627 HB2 ASP 81 2HB ASP 81 -3.699 9.968 -1.537 628 HB3 ASP 81 3HB ASP 81 -3.619 8.356 -2.276 629 H GLN 82 H GLN 82 -6.696 10.188 -0.692 630 HA GLN 82 HA GLN 82 -7.491 7.628 0.290 631 HB2 GLN 82 2HB GLN 82 -8.667 10.407 0.590 632 HB3 GLN 82 3HB GLN 82 -9.398 8.997 1.357 633 HG2 GLN 82 2HG GLN 82 -7.289 8.467 2.493 634 HG3 GLN 82 3HG GLN 82 -6.505 9.864 1.756 635 HE21 GLN 82 2HE2 GLN 82 -6.457 9.633 4.489 636 HE22 GLN 82 1HE2 GLN 82 -7.512 10.871 5.185 637 H GLN 83 H GLN 83 -9.242 9.861 -1.971 638 HA GLN 83 HA GLN 83 -11.347 7.949 -2.370 639 HB2 GLN 83 2HB GLN 83 -12.234 9.378 -4.017 640 HB3 GLN 83 3HB GLN 83 -11.635 10.362 -2.682 641 HG2 GLN 83 2HG GLN 83 -9.588 10.847 -4.039 642 HG3 GLN 83 3HG GLN 83 -10.285 9.971 -5.396 643 HE21 GLN 83 2HE2 GLN 83 -9.605 12.568 -5.991 644 HE22 GLN 83 1HE2 GLN 83 -11.059 13.548 -5.996 645 H LYS 84 H LYS 84 -8.168 8.187 -4.017 646 HA LYS 84 HA LYS 84 -9.057 6.428 -6.175 647 HB2 LYS 84 2HB LYS 84 -6.996 6.723 -7.152 648 HB3 LYS 84 3HB LYS 84 -7.319 8.275 -6.389 649 HG2 LYS 84 2HG LYS 84 -5.226 8.138 -5.680 650 HG3 LYS 84 3HG LYS 84 -5.870 7.072 -4.437 651 HD2 LYS 84 2HD LYS 84 -4.173 5.740 -5.138 652 HD3 LYS 84 3HD LYS 84 -5.423 5.207 -6.268 653 HE2 LYS 84 2HE LYS 84 -3.617 5.675 -7.717 654 HE3 LYS 84 3HE LYS 84 -4.574 7.169 -7.775 655 HZ1 LYS 84 3HZ LYS 84 -3.016 8.060 -6.016 656 HZ2 LYS 84 1HZ LYS 84 -2.105 6.719 -6.199 657 HZ3 LYS 84 2HZ LYS 84 -2.283 7.750 -7.450 658 H VAL 85 H VAL 85 -7.306 6.100 -3.089 659 HA VAL 85 HA VAL 85 -6.750 3.277 -3.533 660 HB VAL 85 HB VAL 85 -6.765 4.978 -1.014 661 HG11 VAL 85 1HG1 VAL 85 -7.160 2.687 -0.248 662 HG12 VAL 85 2HG1 VAL 85 -5.849 2.076 -1.291 663 HG13 VAL 85 3HG1 VAL 85 -5.490 3.138 0.082 664 HG21 VAL 85 3HG2 VAL 85 -4.359 4.899 -1.227 665 HG22 VAL 85 1HG2 VAL 85 -4.449 3.725 -2.555 666 HG23 VAL 85 2HG2 VAL 85 -4.995 5.391 -2.802 667 H LYS 86 H LYS 86 -9.419 5.009 -1.827 668 HA LYS 86 HA LYS 86 -10.927 2.630 -1.208 669 HB2 LYS 86 2HB LYS 86 -11.764 5.526 -1.654 670 HB3 LYS 86 3HB LYS 86 -12.909 4.232 -1.272 671 HG2 LYS 86 2HG LYS 86 -11.584 3.676 0.769 672 HG3 LYS 86 3HG LYS 86 -10.545 5.072 0.466 673 HD2 LYS 86 2HD LYS 86 -12.380 6.605 0.780 674 HD3 LYS 86 3HD LYS 86 -13.574 5.279 0.804 675 HE2 LYS 86 2HE LYS 86 -12.785 4.410 2.854 676 HE3 LYS 86 3HE LYS 86 -11.305 5.355 2.804 677 HZ1 LYS 86 3HZ LYS 86 -12.754 6.378 4.353 678 HZ2 LYS 86 1HZ LYS 86 -12.729 7.379 3.064 679 HZ3 LYS 86 2HZ LYS 86 -14.030 6.415 3.310 680 H LYS 87 H LYS 87 -11.092 4.756 -4.128 681 HA LYS 87 HA LYS 87 -13.043 3.156 -5.473 682 HB2 LYS 87 2HB LYS 87 -12.492 5.449 -6.102 683 HB3 LYS 87 3HB LYS 87 -10.890 4.968 -6.660 684 HG2 LYS 87 2HG LYS 87 -13.348 3.655 -7.854 685 HG3 LYS 87 3HG LYS 87 -12.951 5.314 -8.298 686 HD2 LYS 87 2HD LYS 87 -10.741 4.641 -9.135 687 HD3 LYS 87 3HD LYS 87 -11.021 2.978 -8.627 688 HE2 LYS 87 2HE LYS 87 -11.421 3.050 -10.964 689 HE3 LYS 87 3HE LYS 87 -12.977 2.827 -10.163 690 HZ1 LYS 87 3HZ LYS 87 -13.415 5.205 -10.507 691 HZ2 LYS 87 1HZ LYS 87 -11.952 5.420 -11.211 692 HZ3 LYS 87 2HZ LYS 87 -13.083 4.498 -11.935 693 H THR 88 H THR 88 -9.468 2.894 -5.582 694 HA THR 88 HA THR 88 -9.415 0.747 -7.434 695 HB THR 88 HB THR 88 -7.340 1.390 -5.316 696 HG1 THR 88 1HG THR 88 -7.670 3.142 -6.618 697 HG21 THR 88 1HG2 THR 88 -7.236 -0.054 -7.989 698 HG22 THR 88 2HG2 THR 88 -5.812 0.391 -7.016 699 HG23 THR 88 3HG2 THR 88 -6.968 -0.803 -6.398 700 H ALA 89 H ALA 89 -9.860 0.690 -3.888 701 HA ALA 89 HA ALA 89 -9.646 -2.188 -3.629 702 HB1 ALA 89 1HB ALA 89 -10.627 -1.737 -1.414 703 HB2 ALA 89 2HB ALA 89 -9.275 -0.635 -1.759 704 HB3 ALA 89 3HB ALA 89 -10.946 -0.058 -1.888 705 H GLU 90 H GLU 90 -12.353 0.143 -4.115 706 HA GLU 90 HA GLU 90 -14.419 -1.853 -4.159 707 HB2 GLU 90 2HB GLU 90 -14.298 0.951 -5.342 708 HB3 GLU 90 3HB GLU 90 -15.740 -0.067 -5.379 709 HG2 GLU 90 2HG GLU 90 -15.713 -0.211 -2.903 710 HG3 GLU 90 3HG GLU 90 -14.324 0.871 -2.858 711 H ALA 91 H ALA 91 -12.339 -0.542 -6.672 712 HA ALA 91 HA ALA 91 -13.551 -1.890 -8.900 713 HB1 ALA 91 1HB ALA 91 -10.831 -0.568 -8.484 714 HB2 ALA 91 2HB ALA 91 -11.533 -1.003 -10.061 715 HB3 ALA 91 3HB ALA 91 -12.305 0.234 -9.042 716 H GLY 92 H GLY 92 -11.617 -3.156 -6.384 717 HA2 GLY 92 2HA GLY 92 -10.715 -5.244 -6.054 718 HA3 GLY 92 3HA GLY 92 -11.338 -5.752 -7.628 719 H GLY 93 H GLY 93 -9.129 -2.998 -7.218 720 HA2 GLY 93 2HA GLY 93 -6.745 -3.072 -7.439 721 HA3 GLY 93 3HA GLY 93 -6.861 -4.509 -8.454 722 H VAL 94 H VAL 94 -5.571 -1.933 -8.910 723 HA VAL 94 HA VAL 94 -7.080 -0.429 -10.850 724 HB VAL 94 HB VAL 94 -5.321 0.568 -9.450 725 HG11 VAL 94 1HG1 VAL 94 -2.971 0.397 -10.008 726 HG12 VAL 94 2HG1 VAL 94 -3.585 -1.216 -9.609 727 HG13 VAL 94 3HG1 VAL 94 -3.310 -0.762 -11.307 728 HG21 VAL 94 3HG2 VAL 94 -6.118 1.687 -11.515 729 HG22 VAL 94 1HG2 VAL 94 -4.441 2.083 -11.110 730 HG23 VAL 94 2HG2 VAL 94 -4.782 0.948 -12.426 731 H THR 95 H THR 95 -6.904 -0.248 -13.041 732 HA THR 95 HA THR 95 -5.204 -2.162 -14.556 733 HB THR 95 HB THR 95 -7.015 -2.408 -16.234 734 HG1 THR 95 1HG THR 95 -8.305 -0.625 -15.652 735 HG21 THR 95 1HG2 THR 95 -6.637 -4.144 -14.486 736 HG22 THR 95 2HG2 THR 95 -7.835 -3.343 -13.449 737 HG23 THR 95 3HG2 THR 95 -8.332 -4.051 -15.003 738 H GLY 96 H GLY 96 -4.289 -1.338 -16.415 739 HA2 GLY 96 2HA GLY 96 -3.681 0.217 -18.028 740 HA3 GLY 96 3HA GLY 96 -5.022 1.253 -17.513 741 H LYS 97 H LYS 97 -4.660 2.182 -15.213 742 HA LYS 97 HA LYS 97 -2.259 3.841 -15.247 743 HB2 LYS 97 2HB LYS 97 -4.570 4.603 -14.578 744 HB3 LYS 97 3HB LYS 97 -4.474 3.570 -13.168 745 HG2 LYS 97 2HG LYS 97 -4.052 5.866 -12.549 746 HG3 LYS 97 3HG LYS 97 -2.616 4.905 -12.258 747 HD2 LYS 97 2HD LYS 97 -2.022 7.079 -13.169 748 HD3 LYS 97 3HD LYS 97 -1.572 5.828 -14.329 749 HE2 LYS 97 2HE LYS 97 -3.631 6.298 -15.643 750 HE3 LYS 97 3HE LYS 97 -4.122 7.507 -14.449 751 HZ1 LYS 97 3HZ LYS 97 -2.126 8.786 -15.022 752 HZ2 LYS 97 1HZ LYS 97 -1.669 7.668 -16.125 753 HZ3 LYS 97 2HZ LYS 97 -3.029 8.537 -16.356 754 H GLY 98 H GLY 98 -0.659 3.981 -13.575 755 HA2 GLY 98 2HA GLY 98 -0.528 2.130 -11.392 756 HA3 GLY 98 3HA GLY 98 0.578 1.632 -12.676 757 H GLN 99 H GLN 99 1.736 2.105 -10.387 758 HA GLN 99 HA GLN 99 2.627 4.891 -10.087 759 HB2 GLN 99 2HB GLN 99 2.113 3.132 -8.215 760 HB3 GLN 99 3HB GLN 99 3.687 2.467 -8.624 761 HG2 GLN 99 2HG GLN 99 3.914 3.954 -6.723 762 HG3 GLN 99 3HG GLN 99 4.734 4.685 -8.087 763 HE21 GLN 99 2HE2 GLN 99 4.532 6.760 -6.882 764 HE22 GLN 99 1HE2 GLN 99 2.994 7.623 -7.015 765 H ASP 100 H ASP 100 4.917 5.476 -10.152 766 HA ASP 100 HA ASP 100 6.668 3.783 -11.854 767 HB2 ASP 100 2HB ASP 100 5.341 5.319 -13.306 768 HB3 ASP 100 3HB ASP 100 5.978 6.695 -12.403 769 H GLY 101 H GLY 101 8.882 4.546 -11.940 770 HA2 GLY 101 2HA GLY 101 10.756 5.713 -11.146 771 HA3 GLY 101 3HA GLY 101 9.865 6.293 -9.750 772 H ILE 102 H ILE 102 12.472 5.211 -9.801 773 HA ILE 102 HA ILE 102 12.204 2.896 -7.966 774 HB ILE 102 HB ILE 102 13.002 2.240 -10.274 775 HG12 ILE 102 2HG1 ILE 102 14.840 1.661 -7.913 776 HG13 ILE 102 3HG1 ILE 102 13.325 0.845 -8.318 777 HG21 ILE 102 1HG2 ILE 102 15.245 2.728 -10.992 778 HG22 ILE 102 2HG2 ILE 102 14.478 4.274 -10.630 779 HG23 ILE 102 3HG2 ILE 102 15.627 3.559 -9.472 780 HD11 ILE 102 3HD1 ILE 102 15.139 -0.556 -9.013 781 HD12 ILE 102 1HD1 ILE 102 14.355 0.087 -10.473 782 HD13 ILE 102 2HD1 ILE 102 15.906 0.759 -9.914 783 H GLY 103 H GLY 103 13.641 2.869 -6.198 784 HA2 GLY 103 2HA GLY 103 15.871 4.720 -6.044 785 HA3 GLY 103 3HA GLY 103 14.555 5.201 -4.973 786 H SER 104 H SER 104 17.378 4.091 -4.656 787 HA SER 104 HA SER 104 16.847 2.338 -2.355 788 HB2 SER 104 2HB SER 104 17.120 0.825 -4.367 789 HB3 SER 104 3HB SER 104 18.761 1.463 -4.549 790 HG SER 104 HG SER 104 18.716 -0.464 -3.291 791 H LYS 105 H LYS 105 18.632 2.264 -0.913 792 HA LYS 105 HA LYS 105 21.177 3.513 -1.687 793 HB2 LYS 105 2HB LYS 105 19.909 5.383 -0.692 794 HB3 LYS 105 3HB LYS 105 19.743 4.482 0.821 795 HG2 LYS 105 2HG LYS 105 22.132 4.546 1.210 796 HG3 LYS 105 3HG LYS 105 22.454 5.048 -0.452 797 HD2 LYS 105 2HD LYS 105 22.777 6.924 1.032 798 HD3 LYS 105 3HD LYS 105 21.415 7.234 -0.051 799 HE2 LYS 105 2HE LYS 105 19.830 6.627 1.768 800 HE3 LYS 105 3HE LYS 105 21.196 6.287 2.843 801 HZ1 LYS 105 3HZ LYS 105 20.589 8.945 1.652 802 HZ2 LYS 105 1HZ LYS 105 20.324 8.530 3.204 803 HZ3 LYS 105 2HZ LYS 105 21.850 8.630 2.638 804 H ALA 106 H ALA 106 22.326 1.751 -1.581 805 HA ALA 106 HA ALA 106 23.117 0.591 0.913 806 HB1 ALA 106 1HB ALA 106 21.096 -0.794 0.529 807 HB2 ALA 106 2HB ALA 106 21.643 -1.161 -1.122 808 HB3 ALA 106 3HB ALA 106 22.562 -1.758 0.277 809 H GLU 107 H GLU 107 25.159 -0.247 0.666 810 HA GLU 107 HA GLU 107 26.609 0.219 -1.843 811 HB2 GLU 107 2HB GLU 107 27.526 -0.879 0.839 812 HB3 GLU 107 3HB GLU 107 28.580 -0.589 -0.552 813 HG2 GLU 107 2HG GLU 107 27.917 1.818 -0.540 814 HG3 GLU 107 3HG GLU 107 26.949 1.535 0.908 815 H LYS 108 H LYS 108 27.748 -1.286 -3.071 816 HA LYS 108 HA LYS 108 27.266 -4.185 -2.737 817 HB2 LYS 108 2HB LYS 108 25.366 -3.288 -4.090 818 HB3 LYS 108 3HB LYS 108 26.522 -2.672 -5.280 819 HG2 LYS 108 2HG LYS 108 27.300 -4.987 -5.727 820 HG3 LYS 108 3HG LYS 108 26.194 -5.604 -4.483 821 HD2 LYS 108 2HD LYS 108 24.258 -4.756 -5.785 822 HD3 LYS 108 3HD LYS 108 25.368 -4.129 -7.026 823 HE2 LYS 108 2HE LYS 108 26.215 -6.432 -7.426 824 HE3 LYS 108 3HE LYS 108 25.115 -7.055 -6.190 825 HZ1 LYS 108 3HZ LYS 108 24.266 -5.714 -8.704 826 HZ2 LYS 108 1HZ LYS 108 24.180 -7.316 -8.414 827 HZ3 LYS 108 2HZ LYS 108 23.248 -6.287 -7.560 Start of MODEL 26 1 H1 MET 1 H1 MET 1 9.113 2.612 19.503 2 H2 MET 1 H2 MET 1 9.381 2.957 17.928 3 H3 MET 1 H3 MET 1 10.438 2.011 18.745 4 HA MET 1 HA MET 1 9.070 0.680 17.285 5 HB2 MET 1 2HB MET 1 9.922 -0.273 19.434 6 HB3 MET 1 3HB MET 1 8.421 0.202 20.227 7 HG2 MET 1 2HG MET 1 8.455 -2.185 19.603 8 HG3 MET 1 3HG MET 1 7.138 -1.316 18.841 9 HE1 MET 1 1HE MET 1 10.873 -3.034 16.685 10 HE2 MET 1 2HE MET 1 11.033 -1.704 17.850 11 HE3 MET 1 3HE MET 1 10.453 -3.297 18.392 12 H ALA 2 H ALA 2 7.004 0.018 16.557 13 HA ALA 2 HA ALA 2 4.942 2.039 16.694 14 HB1 ALA 2 1HB ALA 2 5.446 0.747 14.655 15 HB2 ALA 2 2HB ALA 2 4.941 -0.753 15.470 16 HB3 ALA 2 3HB ALA 2 3.757 0.532 15.150 17 H GLU 3 H GLU 3 2.757 1.784 17.374 18 HA GLU 3 HA GLU 3 2.427 0.398 19.933 19 HB2 GLU 3 2HB GLU 3 0.515 2.070 18.263 20 HB3 GLU 3 3HB GLU 3 0.177 1.447 19.883 21 HG2 GLU 3 2HG GLU 3 2.152 2.696 20.766 22 HG3 GLU 3 3HG GLU 3 2.408 3.397 19.168 23 H SER 4 H SER 4 1.675 -0.465 16.664 24 HA SER 4 HA SER 4 0.617 -3.045 17.517 25 HB2 SER 4 2HB SER 4 -1.356 -1.603 17.737 26 HB3 SER 4 3HB SER 4 -1.173 -1.062 16.061 27 HG SER 4 HG SER 4 -2.710 -2.819 16.369 28 H SER 5 H SER 5 0.488 -4.543 15.865 29 HA SER 5 HA SER 5 1.241 -3.804 13.090 30 HB2 SER 5 2HB SER 5 2.590 -6.066 14.588 31 HB3 SER 5 3HB SER 5 2.891 -5.548 12.921 32 HG SER 5 HG SER 5 3.621 -3.517 13.807 33 H ASP 6 H ASP 6 -1.253 -4.724 14.494 34 HA ASP 6 HA ASP 6 -1.764 -7.110 12.787 35 HB2 ASP 6 2HB ASP 6 -2.940 -6.441 15.495 36 HB3 ASP 6 3HB ASP 6 -3.545 -7.724 14.440 37 H LYS 7 H LYS 7 -1.782 -4.786 11.608 38 HA LYS 7 HA LYS 7 -4.577 -4.617 10.632 39 HB2 LYS 7 2HB LYS 7 -3.797 -2.181 9.889 40 HB3 LYS 7 3HB LYS 7 -4.747 -2.539 11.318 41 HG2 LYS 7 2HG LYS 7 -3.080 -0.956 11.895 42 HG3 LYS 7 3HG LYS 7 -2.765 -2.474 12.735 43 HD2 LYS 7 2HD LYS 7 -0.935 -2.991 11.137 44 HD3 LYS 7 3HD LYS 7 -1.310 -1.526 10.225 45 HE2 LYS 7 2HE LYS 7 -0.948 -0.278 12.488 46 HE3 LYS 7 3HE LYS 7 -0.232 -1.792 13.054 47 HZ1 LYS 7 3HZ LYS 7 1.340 -1.580 11.117 48 HZ2 LYS 7 1HZ LYS 7 0.693 -0.097 10.793 49 HZ3 LYS 7 2HZ LYS 7 1.487 -0.364 12.203 50 H LEU 8 H LEU 8 -4.483 -5.731 8.921 51 HA LEU 8 HA LEU 8 -1.958 -6.607 8.052 52 HB2 LEU 8 2HB LEU 8 -3.320 -8.149 6.547 53 HB3 LEU 8 3HB LEU 8 -3.479 -8.277 8.286 54 HG LEU 8 HG LEU 8 -5.647 -7.191 8.272 55 HD11 LEU 8 1HD1 LEU 8 -6.806 -6.669 6.133 56 HD12 LEU 8 2HD1 LEU 8 -5.440 -5.599 6.429 57 HD13 LEU 8 3HD1 LEU 8 -5.270 -6.938 5.272 58 HD21 LEU 8 3HD2 LEU 8 -5.460 -9.328 6.110 59 HD22 LEU 8 1HD2 LEU 8 -5.517 -9.623 7.862 60 HD23 LEU 8 2HD2 LEU 8 -6.910 -8.895 7.048 61 H TYR 9 H TYR 9 -3.559 -3.927 6.796 62 HA TYR 9 HA TYR 9 -1.752 -4.005 4.451 63 HB2 TYR 9 2HB TYR 9 -4.523 -2.790 4.479 64 HB3 TYR 9 3HB TYR 9 -3.394 -2.793 3.132 65 HD1 TYR 9 HD1 TYR 9 -2.485 -5.598 3.024 66 HD2 TYR 9 HD2 TYR 9 -6.391 -4.016 3.831 67 HE1 TYR 9 HE1 TYR 9 -3.497 -7.671 2.089 68 HE2 TYR 9 HE2 TYR 9 -7.422 -6.071 2.867 69 HH TYR 9 HH TYR 9 -5.421 -8.759 1.566 70 H ARG 10 H ARG 10 -0.817 -2.049 3.939 71 HA ARG 10 HA ARG 10 -1.333 0.324 5.624 72 HB2 ARG 10 2HB ARG 10 0.514 -0.402 6.788 73 HB3 ARG 10 3HB ARG 10 1.173 -1.265 5.422 74 HG2 ARG 10 2HG ARG 10 2.712 0.453 5.968 75 HG3 ARG 10 3HG ARG 10 1.986 0.823 4.420 76 HD2 ARG 10 2HD ARG 10 2.146 2.871 5.534 77 HD3 ARG 10 3HD ARG 10 0.446 2.445 5.620 78 HE ARG 10 HE ARG 10 1.034 1.622 8.025 79 HH11 ARG 10 1HH2 ARG 10 2.635 4.505 6.697 80 HH12 ARG 10 2HH2 ARG 10 1.838 5.520 7.904 81 HH21 ARG 10 1HH1 ARG 10 0.589 2.913 9.704 82 HH22 ARG 10 2HH1 ARG 10 1.034 4.622 9.662 83 H VAL 11 H VAL 11 -1.093 2.277 4.537 84 HA VAL 11 HA VAL 11 0.129 2.344 1.836 85 HB VAL 11 HB VAL 11 -2.399 2.094 1.717 86 HG11 VAL 11 1HG1 VAL 11 -2.411 5.048 2.517 87 HG12 VAL 11 2HG1 VAL 11 -3.804 4.054 2.049 88 HG13 VAL 11 3HG1 VAL 11 -2.937 3.754 3.568 89 HG21 VAL 11 3HG2 VAL 11 -1.262 4.644 0.453 90 HG22 VAL 11 1HG2 VAL 11 -0.934 3.023 -0.152 91 HG23 VAL 11 2HG2 VAL 11 -2.591 3.640 -0.165 92 H GLU 12 H GLU 12 1.209 4.294 1.378 93 HA GLU 12 HA GLU 12 0.794 6.711 2.905 94 HB2 GLU 12 2HB GLU 12 2.989 6.788 4.040 95 HB3 GLU 12 3HB GLU 12 2.030 5.452 4.652 96 HG2 GLU 12 2HG GLU 12 3.305 3.870 3.204 97 HG3 GLU 12 3HG GLU 12 4.271 5.220 2.595 98 H TYR 13 H TYR 13 2.152 8.426 2.374 99 HA TYR 13 HA TYR 13 3.657 8.303 -0.156 100 HB2 TYR 13 2HB TYR 13 3.560 10.495 1.938 101 HB3 TYR 13 3HB TYR 13 4.102 10.630 0.270 102 HD1 TYR 13 HD1 TYR 13 1.938 9.294 -1.251 103 HD2 TYR 13 HD2 TYR 13 1.657 11.777 2.258 104 HE1 TYR 13 HE1 TYR 13 -0.259 10.156 -2.038 105 HE2 TYR 13 HE2 TYR 13 -0.565 12.606 1.496 106 HH TYR 13 HH TYR 13 -1.958 11.627 -1.658 107 H ALA 14 H ALA 14 5.565 7.339 -0.148 108 HA ALA 14 HA ALA 14 6.800 6.180 2.000 109 HB1 ALA 14 1HB ALA 14 8.045 7.108 -0.623 110 HB2 ALA 14 2HB ALA 14 8.694 5.824 0.410 111 HB3 ALA 14 3HB ALA 14 7.123 5.622 -0.401 112 H LYS 15 H LYS 15 8.502 6.558 3.386 113 HA LYS 15 HA LYS 15 9.779 9.268 3.345 114 HB2 LYS 15 2HB LYS 15 9.108 7.501 5.716 115 HB3 LYS 15 3HB LYS 15 10.047 8.992 5.823 116 HG2 LYS 15 2HG LYS 15 7.199 8.847 4.737 117 HG3 LYS 15 3HG LYS 15 7.609 9.248 6.396 118 HD2 LYS 15 2HD LYS 15 8.686 11.276 5.803 119 HD3 LYS 15 3HD LYS 15 8.726 10.903 4.083 120 HE2 LYS 15 2HE LYS 15 6.120 11.208 5.605 121 HE3 LYS 15 3HE LYS 15 6.968 12.577 4.877 122 HZ1 LYS 15 3HZ LYS 15 6.042 10.201 3.344 123 HZ2 LYS 15 1HZ LYS 15 5.312 11.668 3.368 124 HZ3 LYS 15 2HZ LYS 15 6.790 11.526 2.705 125 H SER 16 H SER 16 10.528 6.315 2.399 126 HA SER 16 HA SER 16 13.403 6.965 2.516 127 HB2 SER 16 2HB SER 16 14.027 4.631 2.958 128 HB3 SER 16 3HB SER 16 13.071 5.281 4.300 129 HG SER 16 HG SER 16 12.342 3.210 3.714 130 H GLY 17 H GLY 17 14.588 6.288 0.770 131 HA2 GLY 17 2HA GLY 17 13.154 5.332 -1.645 132 HA3 GLY 17 3HA GLY 17 14.794 5.972 -1.574 133 H ARG 18 H ARG 18 13.827 3.606 0.785 134 HA ARG 18 HA ARG 18 15.822 1.642 -0.324 135 HB2 ARG 18 2HB ARG 18 15.338 2.543 2.549 136 HB3 ARG 18 3HB ARG 18 16.508 1.332 2.054 137 HG2 ARG 18 2HG ARG 18 16.639 4.284 1.270 138 HG3 ARG 18 3HG ARG 18 17.507 3.517 2.592 139 HD2 ARG 18 2HD ARG 18 19.075 3.639 0.877 140 HD3 ARG 18 3HD ARG 18 18.548 1.941 0.902 141 HE ARG 18 HE ARG 18 16.922 3.292 -0.969 142 HH11 ARG 18 1HH2 ARG 18 20.353 2.482 -0.849 143 HH12 ARG 18 2HH2 ARG 18 20.423 2.447 -2.607 144 HH21 ARG 18 1HH1 ARG 18 17.138 3.189 -3.089 145 HH22 ARG 18 2HH1 ARG 18 18.710 2.816 -3.806 146 H ALA 19 H ALA 19 12.622 1.879 0.826 147 HA ALA 19 HA ALA 19 12.311 -0.892 1.659 148 HB1 ALA 19 1HB ALA 19 10.262 1.100 0.605 149 HB2 ALA 19 2HB ALA 19 9.911 -0.447 1.395 150 HB3 ALA 19 3HB ALA 19 10.687 0.851 2.319 151 H SER 20 H SER 20 11.792 -2.667 0.385 152 HA SER 20 HA SER 20 12.290 -2.325 -2.535 153 HB2 SER 20 2HB SER 20 13.085 -4.645 -2.504 154 HB3 SER 20 3HB SER 20 14.056 -3.534 -1.525 155 HG SER 20 HG SER 20 13.650 -5.498 -0.417 156 H CYS 21 HN CYS 21 11.040 -3.281 -4.046 157 HA CYS 21 HA CYS 21 8.281 -3.819 -3.240 158 HB2 CYS 21 2HB CYS 21 8.869 -2.440 -5.166 159 HB3 CYS 21 3HB CYS 21 9.655 -3.830 -5.940 160 H LYS 22 H LYS 22 7.531 -5.726 -2.697 161 HA LYS 22 HA LYS 22 9.100 -8.165 -3.075 162 HB2 LYS 22 2HB LYS 22 6.375 -7.773 -1.800 163 HB3 LYS 22 3HB LYS 22 7.389 -9.190 -1.610 164 HG2 LYS 22 2HG LYS 22 8.096 -6.365 -0.714 165 HG3 LYS 22 3HG LYS 22 7.373 -7.568 0.323 166 HD2 LYS 22 2HD LYS 22 10.098 -7.809 -1.028 167 HD3 LYS 22 3HD LYS 22 9.820 -7.311 0.649 168 HE2 LYS 22 2HE LYS 22 8.728 -9.502 1.124 169 HE3 LYS 22 3HE LYS 22 9.063 -10.022 -0.532 170 HZ1 LYS 22 3HZ LYS 22 11.135 -9.304 1.476 171 HZ2 LYS 22 1HZ LYS 22 10.766 -10.821 0.998 172 HZ3 LYS 22 2HZ LYS 22 11.445 -9.780 -0.058 173 H LYS 23 H LYS 23 7.079 -6.708 -5.181 174 HA LYS 23 HA LYS 23 6.092 -9.285 -6.371 175 HB2 LYS 23 2HB LYS 23 4.283 -7.844 -5.678 176 HB3 LYS 23 3HB LYS 23 4.971 -6.484 -6.561 177 HG2 LYS 23 2HG LYS 23 3.046 -7.444 -7.712 178 HG3 LYS 23 3HG LYS 23 4.500 -7.562 -8.700 179 HD2 LYS 23 2HD LYS 23 4.716 -9.961 -8.154 180 HD3 LYS 23 3HD LYS 23 3.339 -9.852 -7.042 181 HE2 LYS 23 2HE LYS 23 1.868 -9.208 -8.920 182 HE3 LYS 23 3HE LYS 23 3.238 -9.272 -10.036 183 HZ1 LYS 23 3HZ LYS 23 2.180 -11.600 -8.514 184 HZ2 LYS 23 1HZ LYS 23 1.924 -11.319 -10.099 185 HZ3 LYS 23 2HZ LYS 23 3.431 -11.652 -9.567 186 H CYS 24 HN CYS 24 7.424 -6.077 -7.413 187 HA CYS 24 HA CYS 24 8.274 -7.449 -9.914 188 HB2 CYS 24 2HB CYS 24 8.261 -5.488 -11.069 189 HB3 CYS 24 3HB CYS 24 6.773 -5.492 -10.132 190 H SER 25 H SER 25 9.651 -6.874 -7.024 191 HA SER 25 HA SER 25 11.717 -7.023 -6.200 192 HB2 SER 25 2HB SER 25 12.510 -8.155 -8.888 193 HB3 SER 25 3HB SER 25 13.397 -8.320 -7.364 194 HG SER 25 HG SER 25 12.064 -10.143 -7.804 195 H GLU 26 H GLU 26 11.045 -4.507 -7.783 196 HA GLU 26 HA GLU 26 13.789 -3.337 -7.987 197 HB2 GLU 26 2HB GLU 26 11.076 -2.159 -8.691 198 HB3 GLU 26 3HB GLU 26 12.638 -1.340 -8.837 199 HG2 GLU 26 2HG GLU 26 13.395 -3.162 -10.393 200 HG3 GLU 26 3HG GLU 26 11.756 -3.824 -10.342 201 H SER 27 H SER 27 13.242 -0.735 -7.106 202 HA SER 27 HA SER 27 12.649 -1.081 -4.206 203 HB2 SER 27 2HB SER 27 15.042 -0.820 -4.766 204 HB3 SER 27 3HB SER 27 14.667 0.805 -5.411 205 HG SER 27 HG SER 27 15.337 0.851 -3.202 206 H ILE 28 H ILE 28 11.945 0.833 -3.135 207 HA ILE 28 HA ILE 28 9.917 2.182 -4.820 208 HB ILE 28 HB ILE 28 9.855 1.557 -1.850 209 HG12 ILE 28 2HG1 ILE 28 8.289 0.109 -4.030 210 HG13 ILE 28 3HG1 ILE 28 9.796 -0.514 -3.366 211 HG21 ILE 28 1HG2 ILE 28 7.459 2.125 -2.053 212 HG22 ILE 28 2HG2 ILE 28 8.443 3.513 -2.499 213 HG23 ILE 28 3HG2 ILE 28 7.662 2.541 -3.759 214 HD11 ILE 28 3HD1 ILE 28 8.818 -0.517 -1.090 215 HD12 ILE 28 1HD1 ILE 28 7.243 -0.076 -1.797 216 HD13 ILE 28 2HD1 ILE 28 8.021 -1.604 -2.236 217 HA PRO 29 HA PRO 29 12.400 5.765 -3.699 218 HB2 PRO 29 2HB PRO 29 11.266 7.683 -5.270 219 HB3 PRO 29 3HB PRO 29 12.269 6.352 -5.915 220 HG2 PRO 29 2HG PRO 29 9.249 6.515 -5.781 221 HG3 PRO 29 3HG PRO 29 10.270 6.027 -7.168 222 HD2 PRO 29 2HD PRO 29 9.081 4.218 -5.484 223 HD3 PRO 29 3HD PRO 29 10.669 3.909 -6.249 224 H LYS 30 H LYS 30 12.355 7.592 -2.397 225 HA LYS 30 HA LYS 30 10.330 7.920 -0.450 226 HB2 LYS 30 2HB LYS 30 12.718 8.504 -0.172 227 HB3 LYS 30 3HB LYS 30 12.534 9.844 -1.309 228 HG2 LYS 30 2HG LYS 30 10.994 10.974 0.189 229 HG3 LYS 30 3HG LYS 30 10.972 9.588 1.295 230 HD2 LYS 30 2HD LYS 30 13.372 9.917 1.766 231 HD3 LYS 30 3HD LYS 30 13.430 11.288 0.651 232 HE2 LYS 30 2HE LYS 30 11.662 11.138 3.141 233 HE3 LYS 30 3HE LYS 30 13.257 11.887 3.098 234 HZ1 LYS 30 3HZ LYS 30 12.410 13.443 1.410 235 HZ2 LYS 30 1HZ LYS 30 10.908 12.794 1.495 236 HZ3 LYS 30 2HZ LYS 30 11.547 13.553 2.789 237 H ASP 31 H ASP 31 8.803 9.448 -0.063 238 HA ASP 31 HA ASP 31 6.878 10.432 -0.562 239 HB2 ASP 31 2HB ASP 31 8.809 12.413 -1.771 240 HB3 ASP 31 3HB ASP 31 7.103 12.753 -1.465 241 H SER 32 H SER 32 7.257 8.341 -2.236 242 HA SER 32 HA SER 32 5.340 9.076 -4.385 243 HB2 SER 32 2HB SER 32 7.510 8.199 -5.308 244 HB3 SER 32 3HB SER 32 7.208 6.682 -4.432 245 HG SER 32 HG SER 32 6.436 6.711 -6.652 246 H LEU 33 H LEU 33 3.870 7.026 -4.753 247 HA LEU 33 HA LEU 33 2.717 6.609 -2.075 248 HB2 LEU 33 2HB LEU 33 1.358 7.578 -3.947 249 HB3 LEU 33 3HB LEU 33 1.552 6.060 -4.828 250 HG LEU 33 HG LEU 33 0.394 4.888 -2.915 251 HD11 LEU 33 1HD1 LEU 33 -1.018 6.247 -1.406 252 HD12 LEU 33 2HD1 LEU 33 0.701 6.498 -1.099 253 HD13 LEU 33 3HD1 LEU 33 -0.227 7.718 -1.997 254 HD21 LEU 33 3HD2 LEU 33 -0.797 5.577 -4.995 255 HD22 LEU 33 1HD2 LEU 33 -1.856 5.611 -3.576 256 HD23 LEU 33 2HD2 LEU 33 -1.197 7.128 -4.232 257 H ARG 34 H ARG 34 2.871 4.759 -1.000 258 HA ARG 34 HA ARG 34 3.449 2.214 -2.422 259 HB2 ARG 34 2HB ARG 34 5.247 1.631 -1.005 260 HB3 ARG 34 3HB ARG 34 5.580 3.211 -1.718 261 HG2 ARG 34 2HG ARG 34 5.091 4.325 0.410 262 HG3 ARG 34 3HG ARG 34 4.633 2.775 1.149 263 HD2 ARG 34 2HD ARG 34 6.914 1.894 0.763 264 HD3 ARG 34 3HD ARG 34 7.379 3.408 -0.019 265 HE ARG 34 HE ARG 34 6.403 3.734 2.742 266 HH11 ARG 34 1HH2 ARG 34 9.364 3.211 0.891 267 HH12 ARG 34 2HH2 ARG 34 10.355 3.676 2.249 268 HH21 ARG 34 1HH1 ARG 34 7.646 4.326 4.285 269 HH22 ARG 34 2HH1 ARG 34 9.408 4.170 4.192 270 H MET 35 H MET 35 3.069 0.336 -1.236 271 HA MET 35 HA MET 35 1.191 0.574 1.028 272 HB2 MET 35 2HB MET 35 0.816 -1.102 -1.483 273 HB3 MET 35 3HB MET 35 -0.031 -1.449 0.035 274 HG2 MET 35 2HG MET 35 -0.946 0.846 0.045 275 HG3 MET 35 3HG MET 35 -0.169 1.158 -1.508 276 HE1 MET 35 3HE MET 35 -3.941 -1.407 -0.733 277 HE2 MET 35 1HE MET 35 -2.381 -1.811 0.027 278 HE3 MET 35 2HE MET 35 -3.201 -0.274 0.413 279 H ALA 36 H ALA 36 1.028 -1.373 2.332 280 HA ALA 36 HA ALA 36 3.323 -3.208 2.145 281 HB1 ALA 36 1HB ALA 36 3.504 -0.971 3.820 282 HB2 ALA 36 2HB ALA 36 3.113 -2.315 4.908 283 HB3 ALA 36 3HB ALA 36 4.522 -2.424 3.847 284 H ILE 37 H ILE 37 3.188 -5.027 3.714 285 HA ILE 37 HA ILE 37 0.418 -5.604 4.662 286 HB ILE 37 HB ILE 37 2.085 -6.975 2.628 287 HG12 ILE 37 2HG1 ILE 37 -0.876 -7.118 3.281 288 HG13 ILE 37 3HG1 ILE 37 -0.138 -5.837 2.312 289 HG21 ILE 37 1HG2 ILE 37 0.589 -8.708 4.609 290 HG22 ILE 37 2HG2 ILE 37 1.328 -9.220 3.060 291 HG23 ILE 37 3HG2 ILE 37 2.357 -8.652 4.366 292 HD11 ILE 37 3HD1 ILE 37 -1.182 -7.428 0.863 293 HD12 ILE 37 1HD1 ILE 37 0.570 -7.537 0.643 294 HD13 ILE 37 2HD1 ILE 37 -0.294 -8.779 1.585 295 H MET 38 H MET 38 0.271 -6.510 6.665 296 HA MET 38 HA MET 38 2.825 -6.918 8.128 297 HB2 MET 38 2HB MET 38 -0.017 -7.095 9.159 298 HB3 MET 38 3HB MET 38 1.440 -7.181 10.137 299 HG2 MET 38 2HG MET 38 0.783 -4.720 8.490 300 HG3 MET 38 3HG MET 38 0.071 -5.027 10.064 301 HE1 MET 38 3HE MET 38 4.026 -5.816 9.421 302 HE2 MET 38 1HE MET 38 3.419 -4.676 8.194 303 HE3 MET 38 2HE MET 38 4.548 -4.125 9.465 304 H VAL 39 H VAL 39 3.823 -8.781 8.079 305 HA VAL 39 HA VAL 39 2.196 -11.276 8.412 306 HB VAL 39 HB VAL 39 2.888 -11.077 6.065 307 HG11 VAL 39 1HG1 VAL 39 5.753 -11.337 7.062 308 HG12 VAL 39 2HG1 VAL 39 5.185 -11.346 5.380 309 HG13 VAL 39 3HG1 VAL 39 5.037 -9.873 6.353 310 HG21 VAL 39 3HG2 VAL 39 2.555 -13.295 7.103 311 HG22 VAL 39 1HG2 VAL 39 3.699 -13.293 5.754 312 HG23 VAL 39 2HG2 VAL 39 4.310 -13.385 7.409 313 H GLN 40 H GLN 40 3.102 -12.927 9.613 314 HA GLN 40 HA GLN 40 5.112 -12.211 11.612 315 HB2 GLN 40 2HB GLN 40 4.824 -14.703 12.198 316 HB3 GLN 40 3HB GLN 40 3.498 -13.591 12.513 317 HG2 GLN 40 2HG GLN 40 2.258 -14.329 10.590 318 HG3 GLN 40 3HG GLN 40 3.612 -15.290 9.990 319 HE21 GLN 40 2HE2 GLN 40 4.243 -17.256 11.289 320 HE22 GLN 40 1HE2 GLN 40 3.009 -18.010 12.288 321 H SER 41 H SER 41 7.231 -12.484 11.522 322 HA SER 41 HA SER 41 8.377 -13.268 8.978 323 HB2 SER 41 2HB SER 41 9.109 -11.268 10.197 324 HB3 SER 41 3HB SER 41 9.701 -12.298 11.502 325 HG SER 41 HG SER 41 10.708 -11.922 8.904 326 HA PRO 42 HA PRO 42 10.018 -17.194 10.298 327 HB2 PRO 42 2HB PRO 42 11.664 -16.955 7.793 328 HB3 PRO 42 3HB PRO 42 10.668 -18.329 8.354 329 HG2 PRO 42 2HG PRO 42 9.801 -16.698 6.350 330 HG3 PRO 42 3HG PRO 42 8.664 -17.289 7.608 331 HD2 PRO 42 2HD PRO 42 10.071 -14.600 7.478 332 HD3 PRO 42 3HD PRO 42 8.350 -14.972 7.811 333 H MET 43 H MET 43 11.727 -14.247 9.766 334 HA MET 43 HA MET 43 14.311 -15.310 10.848 335 HB2 MET 43 2HB MET 43 13.692 -12.999 9.006 336 HB3 MET 43 3HB MET 43 15.274 -13.256 9.734 337 HG2 MET 43 2HG MET 43 15.789 -15.068 8.463 338 HG3 MET 43 3HG MET 43 14.132 -15.644 8.355 339 HE1 MET 43 3HE MET 43 12.375 -13.508 7.275 340 HE2 MET 43 1HE MET 43 12.504 -13.719 5.511 341 HE3 MET 43 2HE MET 43 12.451 -15.137 6.583 342 H PHE 44 H PHE 44 11.785 -12.938 11.392 343 HA PHE 44 HA PHE 44 13.280 -11.747 13.689 344 HB2 PHE 44 2HB PHE 44 12.851 -10.146 11.928 345 HB3 PHE 44 3HB PHE 44 11.151 -10.569 11.882 346 HD1 PHE 44 HD2 PHE 44 13.789 -9.098 14.103 347 HD2 PHE 44 HD1 PHE 44 9.571 -9.470 13.277 348 HE1 PHE 44 HE2 PHE 44 13.294 -7.375 15.825 349 HE2 PHE 44 HE1 PHE 44 9.083 -7.737 14.986 350 HZ PHE 44 HZ PHE 44 10.942 -6.694 16.268 351 H ASP 45 H ASP 45 12.078 -11.175 15.554 352 HA ASP 45 HA ASP 45 10.261 -13.365 16.335 353 HB2 ASP 45 2HB ASP 45 12.344 -12.941 17.586 354 HB3 ASP 45 3HB ASP 45 11.761 -11.333 18.018 355 H GLY 46 H GLY 46 8.706 -12.010 14.775 356 HA2 GLY 46 2HA GLY 46 6.459 -11.107 16.074 357 HA3 GLY 46 3HA GLY 46 7.464 -9.662 15.921 358 H LYS 47 H LYS 47 5.925 -8.734 14.592 359 HA LYS 47 HA LYS 47 5.340 -9.917 11.934 360 HB2 LYS 47 2HB LYS 47 4.119 -7.571 13.420 361 HB3 LYS 47 3HB LYS 47 3.534 -8.190 11.883 362 HG2 LYS 47 2HG LYS 47 3.666 -9.929 14.401 363 HG3 LYS 47 3HG LYS 47 2.308 -8.857 14.092 364 HD2 LYS 47 2HD LYS 47 3.209 -11.166 12.354 365 HD3 LYS 47 3HD LYS 47 1.860 -11.190 13.474 366 HE2 LYS 47 2HE LYS 47 2.061 -9.536 10.923 367 HE3 LYS 47 3HE LYS 47 1.088 -10.987 11.179 368 HZ1 LYS 47 3HZ LYS 47 -0.084 -9.636 13.005 369 HZ2 LYS 47 1HZ LYS 47 0.647 -8.320 12.402 370 HZ3 LYS 47 2HZ LYS 47 -0.375 -9.183 11.465 371 H VAL 48 H VAL 48 5.876 -8.927 10.055 372 HA VAL 48 HA VAL 48 7.557 -6.470 10.157 373 HB VAL 48 HB VAL 48 9.006 -7.439 8.419 374 HG11 VAL 48 1HG1 VAL 48 8.928 -9.092 10.981 375 HG12 VAL 48 2HG1 VAL 48 10.326 -8.862 9.914 376 HG13 VAL 48 3HG1 VAL 48 9.664 -7.487 10.811 377 HG21 VAL 48 3HG2 VAL 48 7.612 -10.082 8.996 378 HG22 VAL 48 1HG2 VAL 48 7.560 -9.181 7.469 379 HG23 VAL 48 2HG2 VAL 48 9.089 -9.861 8.036 380 HA PRO 49 HA PRO 49 4.966 -5.316 6.743 381 HB2 PRO 49 2HB PRO 49 6.146 -3.019 5.872 382 HB3 PRO 49 3HB PRO 49 5.356 -3.137 7.469 383 HG2 PRO 49 2HG PRO 49 8.310 -3.379 6.830 384 HG3 PRO 49 3HG PRO 49 7.531 -2.438 8.137 385 HD2 PRO 49 2HD PRO 49 8.616 -4.951 8.503 386 HD3 PRO 49 3HD PRO 49 7.226 -4.342 9.450 387 H HIS 50 H HIS 50 4.809 -6.237 4.802 388 HA HIS 50 HA HIS 50 7.173 -6.477 2.974 389 HB2 HIS 50 2HB HIS 50 4.428 -7.768 3.055 390 HB3 HIS 50 3HB HIS 50 5.402 -7.760 1.590 391 HD2 HIS 50 HD2 HIS 50 7.034 -8.223 5.032 392 HE1 HIS 50 HE1 HIS 50 7.241 -12.000 3.071 393 HE2 HIS 50 HE2 HIS 50 8.039 -10.671 5.090 394 H TRP 51 H TRP 51 7.551 -4.489 2.156 395 HA TRP 51 HA TRP 51 5.387 -2.705 1.400 396 HB2 TRP 51 2HB TRP 51 8.380 -2.554 0.925 397 HB3 TRP 51 3HB TRP 51 7.218 -1.276 0.594 398 HD1 TRP 51 HD1 TRP 51 9.227 -2.766 3.393 399 HE1 TRP 51 HE1 TRP 51 8.907 -1.388 5.533 400 HE3 TRP 51 HE3 TRP 51 5.315 0.175 1.882 401 HZ2 TRP 51 HZ2 TRP 51 7.114 0.655 6.506 402 HZ3 TRP 51 HZ3 TRP 51 4.294 1.805 3.458 403 HH2 TRP 51 HH2 TRP 51 5.183 2.049 5.766 404 H TYR 52 H TYR 52 4.794 -2.062 -0.687 405 HA TYR 52 HA TYR 52 6.287 -3.036 -2.999 406 HB2 TYR 52 2HB TYR 52 3.367 -3.368 -3.392 407 HB3 TYR 52 3HB TYR 52 4.766 -4.189 -4.095 408 HD1 TYR 52 HD1 TYR 52 3.030 -4.118 -0.702 409 HD2 TYR 52 HD2 TYR 52 4.781 -6.412 -3.903 410 HE1 TYR 52 HE1 TYR 52 2.448 -6.239 0.488 411 HE2 TYR 52 HE2 TYR 52 4.130 -8.518 -2.749 412 HH TYR 52 HH TYR 52 2.514 -8.535 0.432 413 H HIS 53 H HIS 53 5.703 -1.825 -4.964 414 HA HIS 53 HA HIS 53 5.008 0.965 -4.617 415 HB2 HIS 53 2HB HIS 53 4.649 -0.730 -7.119 416 HB3 HIS 53 3HB HIS 53 4.705 1.015 -7.041 417 HD2 HIS 53 HD2 HIS 53 7.131 2.083 -6.079 418 HE1 HIS 53 HE1 HIS 53 9.500 -1.101 -7.629 419 HE2 HIS 53 HE2 HIS 53 9.578 1.220 -6.649 420 H PHE 54 H PHE 54 2.970 2.051 -5.136 421 HA PHE 54 HA PHE 54 0.720 0.957 -3.943 422 HB2 PHE 54 2HB PHE 54 0.789 3.278 -4.324 423 HB3 PHE 54 3HB PHE 54 1.001 3.098 -6.061 424 HD1 PHE 54 HD1 PHE 54 -1.498 2.278 -3.335 425 HD2 PHE 54 HD2 PHE 54 -0.858 3.235 -7.494 426 HE1 PHE 54 HE1 PHE 54 -3.946 2.197 -3.741 427 HE2 PHE 54 HE2 PHE 54 -3.308 3.190 -7.870 428 HZ PHE 54 HZ PHE 54 -4.852 2.663 -6.001 429 H SER 55 H SER 55 1.497 0.745 -7.481 430 HA SER 55 HA SER 55 -1.046 -0.510 -8.122 431 HB2 SER 55 2HB SER 55 -0.071 -0.743 -10.367 432 HB3 SER 55 3HB SER 55 0.029 0.907 -9.733 433 HG SER 55 HG SER 55 2.035 0.601 -10.433 434 H CYS 56 HN CYS 56 2.257 -1.632 -7.443 435 HA CYS 56 HA CYS 56 2.020 -4.268 -8.304 436 HB2 CYS 56 2HB CYS 56 3.721 -2.961 -6.164 437 HB3 CYS 56 3HB CYS 56 3.932 -4.631 -6.678 438 H PHE 57 H PHE 57 1.063 -2.889 -5.181 439 HA PHE 57 HA PHE 57 0.442 -5.207 -3.678 440 HB2 PHE 57 2HB PHE 57 0.382 -2.953 -2.800 441 HB3 PHE 57 3HB PHE 57 -0.954 -2.522 -3.863 442 HD1 PHE 57 HD1 PHE 57 -3.191 -3.606 -3.580 443 HD2 PHE 57 HD2 PHE 57 -0.020 -4.149 -0.718 444 HE1 PHE 57 HE1 PHE 57 -4.842 -4.419 -1.925 445 HE2 PHE 57 HE2 PHE 57 -1.683 -4.914 0.960 446 HZ PHE 57 HZ PHE 57 -4.094 -5.067 0.355 447 H TRP 58 H TRP 58 -1.560 -3.523 -6.150 448 HA TRP 58 HA TRP 58 -3.710 -5.473 -5.963 449 HB2 TRP 58 2HB TRP 58 -3.295 -3.373 -8.097 450 HB3 TRP 58 3HB TRP 58 -4.801 -4.157 -7.627 451 HD1 TRP 58 HD1 TRP 58 -2.575 -1.282 -6.836 452 HE1 TRP 58 HE1 TRP 58 -3.381 0.085 -4.842 453 HE3 TRP 58 HE3 TRP 58 -6.335 -4.374 -5.238 454 HZ2 TRP 58 HZ2 TRP 58 -5.496 -0.084 -2.845 455 HZ3 TRP 58 HZ3 TRP 58 -7.717 -3.741 -3.296 456 HH2 TRP 58 HH2 TRP 58 -7.312 -1.586 -2.109 457 H LYS 59 H LYS 59 -0.772 -5.258 -7.870 458 HA LYS 59 HA LYS 59 -1.503 -7.274 -9.852 459 HB2 LYS 59 2HB LYS 59 1.226 -6.380 -8.889 460 HB3 LYS 59 3HB LYS 59 0.938 -7.464 -10.245 461 HG2 LYS 59 2HG LYS 59 -0.167 -5.755 -11.531 462 HG3 LYS 59 3HG LYS 59 -0.239 -4.680 -10.142 463 HD2 LYS 59 2HD LYS 59 2.477 -5.086 -10.263 464 HD3 LYS 59 3HD LYS 59 2.065 -5.260 -11.974 465 HE2 LYS 59 2HE LYS 59 1.142 -3.067 -12.086 466 HE3 LYS 59 3HE LYS 59 0.885 -3.013 -10.343 467 HZ1 LYS 59 3HZ LYS 59 2.730 -1.623 -10.817 468 HZ2 LYS 59 1HZ LYS 59 3.327 -2.918 -10.048 469 HZ3 LYS 59 2HZ LYS 59 3.523 -2.787 -11.674 470 H VAL 60 H VAL 60 -0.440 -7.397 -6.481 471 HA VAL 60 HA VAL 60 0.096 -10.284 -6.510 472 HB VAL 60 HB VAL 60 -0.532 -8.438 -4.191 473 HG11 VAL 60 1HG1 VAL 60 0.594 -11.267 -4.190 474 HG12 VAL 60 2HG1 VAL 60 0.625 -10.168 -2.796 475 HG13 VAL 60 3HG1 VAL 60 -0.920 -10.720 -3.436 476 HG21 VAL 60 3HG2 VAL 60 2.153 -9.546 -5.092 477 HG22 VAL 60 1HG2 VAL 60 1.593 -7.901 -5.449 478 HG23 VAL 60 2HG2 VAL 60 1.834 -8.394 -3.779 479 H GLY 61 H GLY 61 -2.814 -8.448 -6.678 480 HA2 GLY 61 2HA GLY 61 -4.882 -9.318 -7.237 481 HA3 GLY 61 3HA GLY 61 -4.394 -10.922 -6.701 482 H HIS 62 H HIS 62 -3.888 -8.385 -4.376 483 HA HIS 62 HA HIS 62 -5.865 -9.408 -2.522 484 HB2 HIS 62 2HB HIS 62 -4.153 -6.906 -2.540 485 HB3 HIS 62 3HB HIS 62 -5.252 -7.314 -1.223 486 HD2 HIS 62 HD2 HIS 62 -1.771 -7.919 -2.383 487 HE1 HIS 62 HE1 HIS 62 -2.435 -10.882 0.613 488 HE2 HIS 62 HE2 HIS 62 -0.682 -9.775 -0.857 489 H SER 63 H SER 63 -7.693 -8.409 -1.694 490 HA SER 63 HA SER 63 -8.874 -6.072 -3.078 491 HB2 SER 63 2HB SER 63 -9.812 -8.117 -4.179 492 HB3 SER 63 3HB SER 63 -10.405 -8.655 -2.591 493 HG SER 63 HG SER 63 -11.992 -7.487 -3.820 494 H ILE 64 H ILE 64 -9.807 -4.720 -1.668 495 HA ILE 64 HA ILE 64 -9.608 -5.437 1.239 496 HB ILE 64 HB ILE 64 -9.215 -2.713 -0.045 497 HG12 ILE 64 2HG1 ILE 64 -7.086 -4.786 0.600 498 HG13 ILE 64 3HG1 ILE 64 -7.450 -4.065 -0.959 499 HG21 ILE 64 1HG2 ILE 64 -8.435 -3.804 2.689 500 HG22 ILE 64 2HG2 ILE 64 -8.193 -2.147 2.106 501 HG23 ILE 64 3HG2 ILE 64 -9.833 -2.759 2.367 502 HD11 ILE 64 3HD1 ILE 64 -6.085 -2.768 1.397 503 HD12 ILE 64 1HD1 ILE 64 -5.529 -2.928 -0.266 504 HD13 ILE 64 2HD1 ILE 64 -6.827 -1.791 0.105 505 H ARG 65 H ARG 65 -11.296 -5.124 2.499 506 HA ARG 65 HA ARG 65 -13.830 -4.530 1.016 507 HB2 ARG 65 2HB ARG 65 -14.818 -6.228 2.649 508 HB3 ARG 65 3HB ARG 65 -13.846 -6.807 1.312 509 HG2 ARG 65 2HG ARG 65 -12.589 -6.388 4.027 510 HG3 ARG 65 3HG ARG 65 -13.530 -7.828 3.709 511 HD2 ARG 65 2HD ARG 65 -11.975 -8.769 2.325 512 HD3 ARG 65 3HD ARG 65 -11.447 -7.231 1.647 513 HE ARG 65 HE ARG 65 -10.625 -7.195 4.340 514 HH11 ARG 65 1HH2 ARG 65 -9.516 -8.620 1.353 515 HH12 ARG 65 2HH2 ARG 65 -7.976 -8.973 2.056 516 HH21 ARG 65 1HH1 ARG 65 -8.762 -7.596 5.056 517 HH22 ARG 65 2HH1 ARG 65 -7.539 -8.478 4.128 518 H HIS 66 H HIS 66 -12.067 -3.580 3.783 519 HA HIS 66 HA HIS 66 -13.942 -1.354 4.033 520 HB2 HIS 66 2HB HIS 66 -14.004 -1.375 6.494 521 HB3 HIS 66 3HB HIS 66 -14.969 -2.591 5.695 522 HD2 HIS 66 HD2 HIS 66 -12.653 -4.921 5.473 523 HE1 HIS 66 HE1 HIS 66 -12.925 -4.837 9.705 524 HE2 HIS 66 HE2 HIS 66 -12.166 -6.199 7.700 525 HA PRO 67 HA PRO 67 -9.452 -0.870 3.629 526 HB2 PRO 67 2HB PRO 67 -9.367 1.316 1.880 527 HB3 PRO 67 3HB PRO 67 -9.564 -0.383 1.372 528 HG2 PRO 67 2HG PRO 67 -11.736 1.660 1.892 529 HG3 PRO 67 3HG PRO 67 -11.548 0.582 0.464 530 HD2 PRO 67 2HD PRO 67 -13.228 -0.067 2.443 531 HD3 PRO 67 3HD PRO 67 -12.162 -1.332 1.756 532 H ASP 68 H ASP 68 -11.590 1.867 4.487 533 HA ASP 68 HA ASP 68 -9.384 3.401 5.600 534 HB2 ASP 68 2HB ASP 68 -11.156 4.859 6.522 535 HB3 ASP 68 3HB ASP 68 -11.251 4.610 4.786 536 H VAL 69 H VAL 69 -10.881 0.596 6.654 537 HA VAL 69 HA VAL 69 -10.083 1.015 9.485 538 HB VAL 69 HB VAL 69 -11.535 -1.375 8.308 539 HG11 VAL 69 1HG1 VAL 69 -11.204 -0.396 11.174 540 HG12 VAL 69 2HG1 VAL 69 -12.174 -1.793 10.656 541 HG13 VAL 69 3HG1 VAL 69 -10.423 -1.823 10.451 542 HG21 VAL 69 3HG2 VAL 69 -13.003 0.546 7.990 543 HG22 VAL 69 1HG2 VAL 69 -13.601 -0.439 9.324 544 HG23 VAL 69 2HG2 VAL 69 -12.729 1.075 9.667 545 H GLU 70 H GLU 70 -9.565 -1.121 6.665 546 HA GLU 70 HA GLU 70 -7.563 -2.738 8.082 547 HB2 GLU 70 2HB GLU 70 -8.475 -2.759 5.160 548 HB3 GLU 70 3HB GLU 70 -7.481 -3.997 5.938 549 HG2 GLU 70 2HG GLU 70 -9.331 -4.519 7.491 550 HG3 GLU 70 3HG GLU 70 -10.350 -3.330 6.685 551 H VAL 71 H VAL 71 -7.377 -0.158 5.709 552 HA VAL 71 HA VAL 71 -4.448 -0.535 5.245 553 HB VAL 71 HB VAL 71 -6.232 1.575 4.060 554 HG11 VAL 71 1HG1 VAL 71 -3.545 0.341 3.316 555 HG12 VAL 71 2HG1 VAL 71 -4.388 1.698 2.521 556 HG13 VAL 71 3HG1 VAL 71 -3.749 1.878 4.179 557 HG21 VAL 71 3HG2 VAL 71 -6.152 0.095 2.031 558 HG22 VAL 71 1HG2 VAL 71 -5.427 -1.192 3.033 559 HG23 VAL 71 2HG2 VAL 71 -7.078 -0.636 3.349 560 H ASP 72 H ASP 72 -3.565 -0.191 7.128 561 HA ASP 72 HA ASP 72 -3.850 2.150 8.791 562 HB2 ASP 72 2HB ASP 72 -2.906 0.102 9.577 563 HB3 ASP 72 3HB ASP 72 -1.699 0.071 8.291 564 H GLY 73 H GLY 73 -2.699 4.087 8.722 565 HA2 GLY 73 2HA GLY 73 -1.416 5.825 7.844 566 HA3 GLY 73 3HA GLY 73 -0.757 4.729 6.636 567 H PHE 74 H PHE 74 -4.008 4.315 6.205 568 HA PHE 74 HA PHE 74 -4.376 5.943 3.905 569 HB2 PHE 74 2HB PHE 74 -5.695 3.959 4.496 570 HB3 PHE 74 3HB PHE 74 -6.369 4.789 5.894 571 HD1 PHE 74 HD1 PHE 74 -6.346 4.593 2.187 572 HD2 PHE 74 HD2 PHE 74 -8.235 6.321 5.661 573 HE1 PHE 74 HE1 PHE 74 -8.270 5.323 0.790 574 HE2 PHE 74 HE2 PHE 74 -10.156 7.042 4.250 575 HZ PHE 74 HZ PHE 74 -10.164 6.549 1.822 576 H SER 75 H SER 75 -4.914 6.674 7.320 577 HA SER 75 HA SER 75 -6.171 9.240 7.003 578 HB2 SER 75 2HB SER 75 -4.491 8.195 9.310 579 HB3 SER 75 3HB SER 75 -5.664 9.521 9.376 580 HG SER 75 HG SER 75 -7.319 8.036 8.959 581 H GLU 76 H GLU 76 -2.877 8.320 6.453 582 HA GLU 76 HA GLU 76 -1.799 11.046 6.918 583 HB2 GLU 76 2HB GLU 76 -0.370 8.541 5.952 584 HB3 GLU 76 3HB GLU 76 0.359 10.075 6.407 585 HG2 GLU 76 2HG GLU 76 -0.510 9.782 8.735 586 HG3 GLU 76 3HG GLU 76 -1.147 8.201 8.284 587 H LEU 77 H LEU 77 -3.331 9.353 4.398 588 HA LEU 77 HA LEU 77 -2.004 10.690 2.144 589 HB2 LEU 77 2HB LEU 77 -4.584 9.109 2.332 590 HB3 LEU 77 3HB LEU 77 -3.865 9.694 0.843 591 HG LEU 77 HG LEU 77 -2.687 7.578 2.694 592 HD11 LEU 77 1HD1 LEU 77 -3.170 6.141 0.669 593 HD12 LEU 77 2HD1 LEU 77 -4.627 6.799 1.439 594 HD13 LEU 77 3HD1 LEU 77 -4.004 7.509 -0.062 595 HD21 LEU 77 3HD2 LEU 77 -1.025 7.212 0.919 596 HD22 LEU 77 1HD2 LEU 77 -1.663 8.604 0.016 597 HD23 LEU 77 2HD2 LEU 77 -0.868 8.836 1.590 598 H ARG 78 H ARG 78 -3.059 12.157 0.715 599 HA ARG 78 HA ARG 78 -5.106 13.953 1.895 600 HB2 ARG 78 2HB ARG 78 -3.304 14.063 -0.534 601 HB3 ARG 78 3HB ARG 78 -4.793 14.983 -0.576 602 HG2 ARG 78 2HG ARG 78 -2.789 15.214 1.706 603 HG3 ARG 78 3HG ARG 78 -2.732 16.232 0.268 604 HD2 ARG 78 2HD ARG 78 -5.172 16.035 2.092 605 HD3 ARG 78 3HD ARG 78 -3.903 17.261 2.254 606 HE ARG 78 HE ARG 78 -4.697 17.453 -0.398 607 HH11 ARG 78 1HH2 ARG 78 -6.329 17.888 2.674 608 HH12 ARG 78 2HH2 ARG 78 -7.487 19.002 2.001 609 HH21 ARG 78 1HH1 ARG 78 -6.202 18.886 -1.185 610 HH22 ARG 78 2HH1 ARG 78 -7.406 19.552 -0.124 611 H TRP 79 H TRP 79 -6.949 14.565 0.620 612 HA TRP 79 HA TRP 79 -8.714 12.459 0.438 613 HB2 TRP 79 2HB TRP 79 -9.911 14.318 0.708 614 HB3 TRP 79 3HB TRP 79 -8.748 15.328 -0.122 615 HD1 TRP 79 HD1 TRP 79 -11.947 13.365 -0.780 616 HE1 TRP 79 HE1 TRP 79 -12.874 13.996 -3.094 617 HE3 TRP 79 HE3 TRP 79 -8.030 16.166 -2.459 618 HZ2 TRP 79 HZ2 TRP 79 -12.038 15.587 -5.369 619 HZ3 TRP 79 HZ3 TRP 79 -8.089 17.208 -4.721 620 HH2 TRP 79 HH2 TRP 79 -10.088 16.927 -6.179 621 H ASP 80 H ASP 80 -6.872 13.819 -2.312 622 HA ASP 80 HA ASP 80 -8.344 12.409 -4.303 623 HB2 ASP 80 2HB ASP 80 -6.998 14.450 -4.711 624 HB3 ASP 80 3HB ASP 80 -5.527 13.490 -4.511 625 H ASP 81 H ASP 81 -5.656 11.363 -2.290 626 HA ASP 81 HA ASP 81 -5.212 8.913 -3.900 627 HB2 ASP 81 2HB ASP 81 -3.800 10.050 -1.476 628 HB3 ASP 81 3HB ASP 81 -3.483 8.444 -2.152 629 H GLN 82 H GLN 82 -6.673 9.995 -0.799 630 HA GLN 82 HA GLN 82 -7.466 7.421 0.109 631 HB2 GLN 82 2HB GLN 82 -8.732 10.171 0.374 632 HB3 GLN 82 3HB GLN 82 -9.426 8.736 1.129 633 HG2 GLN 82 2HG GLN 82 -7.317 8.312 2.335 634 HG3 GLN 82 3HG GLN 82 -6.600 9.753 1.608 635 HE21 GLN 82 2HE2 GLN 82 -6.697 9.443 4.385 636 HE22 GLN 82 1HE2 GLN 82 -7.808 10.664 5.018 637 H GLN 83 H GLN 83 -9.285 9.680 -2.087 638 HA GLN 83 HA GLN 83 -11.352 7.761 -2.550 639 HB2 GLN 83 2HB GLN 83 -12.231 9.219 -4.171 640 HB3 GLN 83 3HB GLN 83 -11.594 10.204 -2.855 641 HG2 GLN 83 2HG GLN 83 -9.547 10.626 -4.254 642 HG3 GLN 83 3HG GLN 83 -10.295 9.757 -5.587 643 HE21 GLN 83 2HE2 GLN 83 -9.551 12.367 -6.167 644 HE22 GLN 83 1HE2 GLN 83 -10.990 13.369 -6.159 645 H LYS 84 H LYS 84 -8.172 8.019 -4.078 646 HA LYS 84 HA LYS 84 -8.901 6.318 -6.350 647 HB2 LYS 84 2HB LYS 84 -7.390 8.168 -6.666 648 HB3 LYS 84 3HB LYS 84 -6.318 7.585 -5.394 649 HG2 LYS 84 2HG LYS 84 -6.799 5.559 -7.497 650 HG3 LYS 84 3HG LYS 84 -6.148 7.043 -8.158 651 HD2 LYS 84 2HD LYS 84 -4.809 5.972 -5.661 652 HD3 LYS 84 3HD LYS 84 -4.629 5.069 -7.153 653 HE2 LYS 84 2HE LYS 84 -2.770 6.613 -6.906 654 HE3 LYS 84 3HE LYS 84 -3.742 6.965 -8.342 655 HZ1 LYS 84 3HZ LYS 84 -3.251 9.013 -7.329 656 HZ2 LYS 84 1HZ LYS 84 -4.813 8.767 -6.936 657 HZ3 LYS 84 2HZ LYS 84 -3.598 8.541 -5.832 658 H VAL 85 H VAL 85 -7.161 5.981 -3.229 659 HA VAL 85 HA VAL 85 -6.559 3.156 -3.600 660 HB VAL 85 HB VAL 85 -6.915 4.831 -1.083 661 HG11 VAL 85 1HG1 VAL 85 -5.879 1.962 -1.305 662 HG12 VAL 85 2HG1 VAL 85 -5.738 2.991 0.131 663 HG13 VAL 85 3HG1 VAL 85 -7.334 2.499 -0.433 664 HG21 VAL 85 3HG2 VAL 85 -4.883 5.259 -2.633 665 HG22 VAL 85 1HG2 VAL 85 -4.552 4.898 -0.935 666 HG23 VAL 85 2HG2 VAL 85 -4.333 3.647 -2.163 667 H LYS 86 H LYS 86 -9.392 4.854 -2.101 668 HA LYS 86 HA LYS 86 -10.813 2.371 -1.647 669 HB2 LYS 86 2HB LYS 86 -11.824 5.242 -1.764 670 HB3 LYS 86 3HB LYS 86 -12.807 3.831 -1.349 671 HG2 LYS 86 2HG LYS 86 -11.035 3.294 0.449 672 HG3 LYS 86 3HG LYS 86 -10.372 4.882 0.141 673 HD2 LYS 86 2HD LYS 86 -11.780 4.907 2.116 674 HD3 LYS 86 3HD LYS 86 -12.499 5.936 0.858 675 HE2 LYS 86 2HE LYS 86 -14.124 4.245 0.323 676 HE3 LYS 86 3HE LYS 86 -13.277 3.038 1.309 677 HZ1 LYS 86 3HZ LYS 86 -14.529 5.464 2.474 678 HZ2 LYS 86 1HZ LYS 86 -15.277 4.015 2.397 679 HZ3 LYS 86 2HZ LYS 86 -13.932 4.162 3.295 680 H LYS 87 H LYS 87 -10.880 4.607 -4.468 681 HA LYS 87 HA LYS 87 -12.788 3.085 -5.992 682 HB2 LYS 87 2HB LYS 87 -12.031 5.292 -6.703 683 HB3 LYS 87 3HB LYS 87 -10.384 4.714 -6.952 684 HG2 LYS 87 2HG LYS 87 -12.694 3.451 -8.459 685 HG3 LYS 87 3HG LYS 87 -12.066 5.018 -8.956 686 HD2 LYS 87 2HD LYS 87 -9.831 4.088 -9.344 687 HD3 LYS 87 3HD LYS 87 -10.366 2.486 -8.815 688 HE2 LYS 87 2HE LYS 87 -12.098 2.482 -10.612 689 HE3 LYS 87 3HE LYS 87 -11.478 4.033 -11.185 690 HZ1 LYS 87 3HZ LYS 87 -9.908 1.496 -11.100 691 HZ2 LYS 87 1HZ LYS 87 -10.538 2.187 -12.440 692 HZ3 LYS 87 2HZ LYS 87 -9.343 2.945 -11.636 693 H THR 88 H THR 88 -9.225 2.745 -5.769 694 HA THR 88 HA THR 88 -9.100 0.546 -7.546 695 HB THR 88 HB THR 88 -7.073 1.329 -5.436 696 HG1 THR 88 1HG THR 88 -7.446 3.021 -6.779 697 HG21 THR 88 1HG2 THR 88 -6.884 -0.203 -8.061 698 HG22 THR 88 2HG2 THR 88 -5.502 0.317 -7.075 699 HG23 THR 88 3HG2 THR 88 -6.648 -0.893 -6.459 700 H ALA 89 H ALA 89 -9.683 0.586 -4.044 701 HA ALA 89 HA ALA 89 -9.457 -2.252 -3.624 702 HB1 ALA 89 1HB ALA 89 -10.627 -1.711 -1.528 703 HB2 ALA 89 2HB ALA 89 -9.297 -0.570 -1.822 704 HB3 ALA 89 3HB ALA 89 -10.979 -0.080 -2.119 705 H GLU 90 H GLU 90 -12.141 -0.074 -4.576 706 HA GLU 90 HA GLU 90 -14.091 -2.211 -4.658 707 HB2 GLU 90 2HB GLU 90 -14.047 0.623 -5.752 708 HB3 GLU 90 3HB GLU 90 -15.419 -0.452 -5.992 709 HG2 GLU 90 2HG GLU 90 -14.348 0.246 -3.225 710 HG3 GLU 90 3HG GLU 90 -15.576 1.188 -4.058 711 H ALA 91 H ALA 91 -11.941 -0.744 -7.030 712 HA ALA 91 HA ALA 91 -13.101 -2.021 -9.346 713 HB1 ALA 91 1HB ALA 91 -10.520 -0.431 -8.911 714 HB2 ALA 91 2HB ALA 91 -11.242 -0.833 -10.486 715 HB3 ALA 91 3HB ALA 91 -12.101 0.234 -9.358 716 H GLY 92 H GLY 92 -10.432 -2.882 -7.194 717 HA2 GLY 92 2HA GLY 92 -8.993 -4.687 -7.154 718 HA3 GLY 92 3HA GLY 92 -9.830 -5.411 -8.533 719 H GLY 93 H GLY 93 -8.856 -2.148 -9.064 720 HA2 GLY 93 2HA GLY 93 -6.197 -2.334 -9.965 721 HA3 GLY 93 3HA GLY 93 -7.243 -2.756 -11.325 722 H VAL 94 H VAL 94 -5.507 -0.337 -10.472 723 HA VAL 94 HA VAL 94 -7.379 1.851 -10.180 724 HB VAL 94 HB VAL 94 -5.212 1.815 -9.113 725 HG11 VAL 94 1HG1 VAL 94 -4.006 2.329 -11.873 726 HG12 VAL 94 2HG1 VAL 94 -3.142 2.341 -10.325 727 HG13 VAL 94 3HG1 VAL 94 -3.827 0.831 -10.938 728 HG21 VAL 94 3HG2 VAL 94 -4.623 4.168 -9.482 729 HG22 VAL 94 1HG2 VAL 94 -5.506 4.184 -11.013 730 HG23 VAL 94 2HG2 VAL 94 -6.383 3.960 -9.483 731 H THR 95 H THR 95 -5.753 0.479 -12.925 732 HA THR 95 HA THR 95 -5.888 0.701 -15.140 733 HB THR 95 HB THR 95 -7.904 1.331 -16.219 734 HG1 THR 95 1HG THR 95 -8.347 2.745 -13.885 735 HG21 THR 95 1HG2 THR 95 -8.584 0.047 -13.526 736 HG22 THR 95 2HG2 THR 95 -9.501 -0.119 -15.042 737 HG23 THR 95 3HG2 THR 95 -7.872 -0.816 -14.905 738 H GLY 96 H GLY 96 -6.025 3.815 -13.571 739 HA2 GLY 96 2HA GLY 96 -5.385 5.182 -16.032 740 HA3 GLY 96 3HA GLY 96 -5.315 5.885 -14.406 741 H LYS 97 H LYS 97 -3.401 6.409 -16.412 742 HA LYS 97 HA LYS 97 -1.024 4.735 -16.081 743 HB2 LYS 97 2HB LYS 97 -1.466 7.375 -17.535 744 HB3 LYS 97 3HB LYS 97 0.041 6.451 -17.559 745 HG2 LYS 97 2HG LYS 97 -1.160 4.497 -18.525 746 HG3 LYS 97 3HG LYS 97 -2.656 5.449 -18.575 747 HD2 LYS 97 2HD LYS 97 -1.568 7.089 -20.084 748 HD3 LYS 97 3HD LYS 97 -0.068 6.136 -20.038 749 HE2 LYS 97 2HE LYS 97 -1.286 4.183 -20.980 750 HE3 LYS 97 3HE LYS 97 -2.775 5.133 -21.032 751 HZ1 LYS 97 3HZ LYS 97 -1.656 5.123 -23.187 752 HZ2 LYS 97 1HZ LYS 97 -1.676 6.645 -22.600 753 HZ3 LYS 97 2HZ LYS 97 -0.299 5.766 -22.551 754 H GLY 98 H GLY 98 1.049 5.479 -15.436 755 HA2 GLY 98 2HA GLY 98 1.553 7.807 -13.843 756 HA3 GLY 98 3HA GLY 98 1.219 6.424 -12.795 757 H GLN 99 H GLN 99 3.522 7.072 -12.187 758 HA GLN 99 HA GLN 99 5.459 5.351 -13.652 759 HB2 GLN 99 2HB GLN 99 5.967 8.195 -12.689 760 HB3 GLN 99 3HB GLN 99 7.235 7.082 -13.183 761 HG2 GLN 99 2HG GLN 99 4.989 8.086 -14.991 762 HG3 GLN 99 3HG GLN 99 6.623 8.721 -14.943 763 HE21 GLN 99 2HE2 GLN 99 5.681 7.868 -17.378 764 HE22 GLN 99 1HE2 GLN 99 6.498 6.372 -17.814 765 H ASP 100 H ASP 100 6.997 4.349 -12.418 766 HA ASP 100 HA ASP 100 7.208 4.708 -9.526 767 HB2 ASP 100 2HB ASP 100 6.424 2.503 -8.921 768 HB3 ASP 100 3HB ASP 100 5.132 3.368 -9.722 769 H GLY 101 H GLY 101 8.721 3.064 -8.570 770 HA2 GLY 101 2HA GLY 101 10.427 1.457 -8.676 771 HA3 GLY 101 3HA GLY 101 10.511 1.616 -10.410 772 H ILE 102 H ILE 102 12.402 1.732 -7.982 773 HA ILE 102 HA ILE 102 14.325 3.425 -9.371 774 HB ILE 102 HB ILE 102 13.346 4.892 -7.606 775 HG12 ILE 102 2HG1 ILE 102 15.330 5.813 -6.663 776 HG13 ILE 102 3HG1 ILE 102 16.249 4.337 -6.910 777 HG21 ILE 102 1HG2 ILE 102 13.848 4.543 -5.238 778 HG22 ILE 102 2HG2 ILE 102 12.877 3.213 -5.866 779 HG23 ILE 102 3HG2 ILE 102 14.620 2.995 -5.593 780 HD11 ILE 102 3HD1 ILE 102 15.092 6.062 -9.145 781 HD12 ILE 102 1HD1 ILE 102 16.769 6.128 -8.559 782 HD13 ILE 102 2HD1 ILE 102 16.174 4.660 -9.347 783 H GLY 103 H GLY 103 16.598 2.957 -8.553 784 HA2 GLY 103 2HA GLY 103 17.133 0.692 -6.901 785 HA3 GLY 103 3HA GLY 103 17.263 0.223 -8.601 786 H SER 104 H SER 104 19.271 0.661 -6.305 787 HA SER 104 HA SER 104 20.961 2.869 -7.228 788 HB2 SER 104 2HB SER 104 21.353 0.802 -5.038 789 HB3 SER 104 3HB SER 104 22.406 2.198 -5.328 790 HG SER 104 HG SER 104 20.675 3.573 -4.928 791 H LYS 105 H LYS 105 20.756 -0.417 -8.120 792 HA LYS 105 HA LYS 105 23.221 -0.240 -9.729 793 HB2 LYS 105 2HB LYS 105 24.011 -1.196 -7.622 794 HB3 LYS 105 3HB LYS 105 22.750 -2.430 -7.653 795 HG2 LYS 105 2HG LYS 105 23.723 -3.504 -9.575 796 HG3 LYS 105 3HG LYS 105 24.880 -2.192 -9.823 797 HD2 LYS 105 2HD LYS 105 24.782 -4.004 -7.367 798 HD3 LYS 105 3HD LYS 105 25.807 -4.302 -8.762 799 HE2 LYS 105 2HE LYS 105 25.989 -1.869 -6.929 800 HE3 LYS 105 3HE LYS 105 27.040 -3.285 -6.899 801 HZ1 LYS 105 3HZ LYS 105 27.619 -2.731 -9.272 802 HZ2 LYS 105 1HZ LYS 105 26.849 -1.303 -9.090 803 HZ3 LYS 105 2HZ LYS 105 28.153 -1.638 -8.168 804 H ALA 106 H ALA 106 23.133 -1.402 -11.592 805 HA ALA 106 HA ALA 106 20.597 -2.842 -12.246 806 HB1 ALA 106 1HB ALA 106 22.384 -1.157 -14.045 807 HB2 ALA 106 2HB ALA 106 20.844 -1.918 -14.496 808 HB3 ALA 106 3HB ALA 106 20.862 -0.612 -13.299 809 H GLU 107 H GLU 107 23.490 -3.804 -11.394 810 HA GLU 107 HA GLU 107 24.120 -5.609 -13.622 811 HB2 GLU 107 2HB GLU 107 25.352 -5.356 -10.851 812 HB3 GLU 107 3HB GLU 107 25.951 -6.393 -12.149 813 HG2 GLU 107 2HG GLU 107 26.368 -4.402 -13.567 814 HG3 GLU 107 3HG GLU 107 25.789 -3.348 -12.274 815 H LYS 108 H LYS 108 24.162 -7.897 -13.465 816 HA LYS 108 HA LYS 108 22.707 -9.258 -11.284 817 HB2 LYS 108 2HB LYS 108 20.994 -8.578 -12.980 818 HB3 LYS 108 3HB LYS 108 21.863 -9.515 -14.203 819 HG2 LYS 108 2HG LYS 108 21.488 -11.586 -12.886 820 HG3 LYS 108 3HG LYS 108 20.677 -10.640 -11.622 821 HD2 LYS 108 2HD LYS 108 18.933 -9.959 -13.255 822 HD3 LYS 108 3HD LYS 108 19.747 -10.910 -14.518 823 HE2 LYS 108 2HE LYS 108 19.442 -12.968 -13.154 824 HE3 LYS 108 3HE LYS 108 18.631 -12.020 -11.901 825 HZ1 LYS 108 3HZ LYS 108 17.648 -12.354 -14.686 826 HZ2 LYS 108 1HZ LYS 108 17.028 -13.096 -13.373 827 HZ3 LYS 108 2HZ LYS 108 16.898 -11.477 -13.528 Start of MODEL 27 1 H1 MET 1 H1 MET 1 2.009 5.180 24.364 2 H2 MET 1 H2 MET 1 1.796 3.589 24.679 3 H3 MET 1 H3 MET 1 0.582 4.646 24.969 4 HA MET 1 HA MET 1 0.139 3.382 22.976 5 HB2 MET 1 2HB MET 1 -0.712 5.693 23.199 6 HB3 MET 1 3HB MET 1 0.729 6.325 22.405 7 HG2 MET 1 2HG MET 1 -1.103 4.295 21.077 8 HG3 MET 1 3HG MET 1 -1.446 6.019 21.051 9 HE1 MET 1 1HE MET 1 -0.329 5.150 17.366 10 HE2 MET 1 2HE MET 1 -1.136 4.036 18.491 11 HE3 MET 1 3HE MET 1 -1.657 5.735 18.393 12 H ALA 2 H ALA 2 0.848 2.450 21.093 13 HA ALA 2 HA ALA 2 3.409 3.229 19.874 14 HB1 ALA 2 1HB ALA 2 4.288 0.918 19.988 15 HB2 ALA 2 2HB ALA 2 4.059 1.584 21.614 16 HB3 ALA 2 3HB ALA 2 2.886 0.420 20.956 17 H GLU 3 H GLU 3 3.770 2.050 17.807 18 HA GLU 3 HA GLU 3 1.439 1.961 16.120 19 HB2 GLU 3 2HB GLU 3 3.701 2.572 15.349 20 HB3 GLU 3 3HB GLU 3 4.267 0.930 15.671 21 HG2 GLU 3 2HG GLU 3 2.688 0.058 13.954 22 HG3 GLU 3 3HG GLU 3 2.090 1.697 13.675 23 H SER 4 H SER 4 0.062 0.334 15.663 24 HA SER 4 HA SER 4 0.563 -2.375 16.798 25 HB2 SER 4 2HB SER 4 -1.863 -2.561 16.962 26 HB3 SER 4 3HB SER 4 -1.254 -1.148 17.839 27 HG SER 4 HG SER 4 -3.073 -0.586 16.619 28 H SER 5 H SER 5 -0.066 -4.234 15.702 29 HA SER 5 HA SER 5 -0.265 -3.993 12.732 30 HB2 SER 5 2HB SER 5 0.984 -6.031 12.533 31 HB3 SER 5 3HB SER 5 1.899 -4.896 13.529 32 HG SER 5 HG SER 5 1.461 -6.082 15.320 33 H ASP 6 H ASP 6 -2.530 -4.073 14.633 34 HA ASP 6 HA ASP 6 -3.784 -6.602 14.006 35 HB2 ASP 6 2HB ASP 6 -4.111 -5.365 16.154 36 HB3 ASP 6 3HB ASP 6 -5.002 -4.123 15.274 37 H LYS 7 H LYS 7 -3.009 -5.512 11.657 38 HA LYS 7 HA LYS 7 -5.471 -4.995 10.108 39 HB2 LYS 7 2HB LYS 7 -2.880 -3.468 9.639 40 HB3 LYS 7 3HB LYS 7 -4.416 -3.288 8.811 41 HG2 LYS 7 2HG LYS 7 -4.679 -1.509 10.165 42 HG3 LYS 7 3HG LYS 7 -5.278 -2.703 11.310 43 HD2 LYS 7 2HD LYS 7 -2.901 -2.883 12.223 44 HD3 LYS 7 3HD LYS 7 -2.438 -1.603 11.112 45 HE2 LYS 7 2HE LYS 7 -4.488 -0.321 12.268 46 HE3 LYS 7 3HE LYS 7 -4.205 -1.497 13.564 47 HZ1 LYS 7 3HZ LYS 7 -1.815 -0.711 13.480 48 HZ2 LYS 7 1HZ LYS 7 -2.305 0.508 12.483 49 HZ3 LYS 7 2HZ LYS 7 -2.873 0.403 14.027 50 H LEU 8 H LEU 8 -4.800 -5.221 7.724 51 HA LEU 8 HA LEU 8 -2.816 -7.459 7.365 52 HB2 LEU 8 2HB LEU 8 -5.155 -6.573 5.611 53 HB3 LEU 8 3HB LEU 8 -4.121 -7.961 5.309 54 HG LEU 8 HG LEU 8 -6.037 -7.713 7.676 55 HD11 LEU 8 1HD1 LEU 8 -6.290 -9.180 5.026 56 HD12 LEU 8 2HD1 LEU 8 -7.454 -9.238 6.376 57 HD13 LEU 8 3HD1 LEU 8 -7.165 -7.712 5.510 58 HD21 LEU 8 3HD2 LEU 8 -4.455 -10.076 6.572 59 HD22 LEU 8 1HD2 LEU 8 -4.159 -9.244 8.116 60 HD23 LEU 8 2HD2 LEU 8 -5.663 -10.151 7.877 61 H TYR 9 H TYR 9 -3.599 -4.151 6.586 62 HA TYR 9 HA TYR 9 -1.668 -4.179 4.326 63 HB2 TYR 9 2HB TYR 9 -4.432 -2.945 4.292 64 HB3 TYR 9 3HB TYR 9 -3.281 -2.976 2.961 65 HD1 TYR 9 HD1 TYR 9 -2.438 -5.774 2.846 66 HD2 TYR 9 HD2 TYR 9 -6.313 -4.108 3.618 67 HE1 TYR 9 HE1 TYR 9 -3.486 -7.894 2.058 68 HE2 TYR 9 HE2 TYR 9 -7.378 -6.217 2.844 69 HH TYR 9 HH TYR 9 -5.433 -9.002 1.667 70 H ARG 10 H ARG 10 -0.758 -2.223 3.823 71 HA ARG 10 HA ARG 10 -1.128 0.081 5.654 72 HB2 ARG 10 2HB ARG 10 0.763 -0.935 6.607 73 HB3 ARG 10 3HB ARG 10 1.339 -1.526 5.068 74 HG2 ARG 10 2HG ARG 10 2.890 0.103 5.848 75 HG3 ARG 10 3HG ARG 10 2.098 0.722 4.418 76 HD2 ARG 10 2HD ARG 10 2.213 2.564 5.916 77 HD3 ARG 10 3HD ARG 10 0.542 2.027 5.970 78 HE ARG 10 HE ARG 10 0.822 1.202 8.172 79 HH11 ARG 10 1HH2 ARG 10 3.832 2.903 7.242 80 HH12 ARG 10 2HH2 ARG 10 4.380 2.766 8.891 81 HH21 ARG 10 1HH1 ARG 10 1.522 1.343 10.076 82 HH22 ARG 10 2HH1 ARG 10 3.120 1.965 10.497 83 H VAL 11 H VAL 11 -0.918 2.089 4.625 84 HA VAL 11 HA VAL 11 0.280 2.241 1.917 85 HB VAL 11 HB VAL 11 -2.261 2.019 1.774 86 HG11 VAL 11 1HG1 VAL 11 -2.241 4.945 2.636 87 HG12 VAL 11 2HG1 VAL 11 -3.639 3.966 2.166 88 HG13 VAL 11 3HG1 VAL 11 -2.758 3.635 3.677 89 HG21 VAL 11 3HG2 VAL 11 -1.065 4.589 0.615 90 HG22 VAL 11 1HG2 VAL 11 -0.778 2.990 -0.059 91 HG23 VAL 11 2HG2 VAL 11 -2.419 3.646 -0.045 92 H GLU 12 H GLU 12 1.348 4.192 1.497 93 HA GLU 12 HA GLU 12 1.116 6.540 3.132 94 HB2 GLU 12 2HB GLU 12 3.378 6.441 4.168 95 HB3 GLU 12 3HB GLU 12 2.282 5.255 4.848 96 HG2 GLU 12 2HG GLU 12 3.318 3.471 3.477 97 HG3 GLU 12 3HG GLU 12 4.387 4.660 2.724 98 H TYR 13 H TYR 13 2.606 8.190 2.522 99 HA TYR 13 HA TYR 13 3.815 7.939 -0.137 100 HB2 TYR 13 2HB TYR 13 4.062 10.178 1.884 101 HB3 TYR 13 3HB TYR 13 4.435 10.245 0.166 102 HD1 TYR 13 HD1 TYR 13 2.252 9.239 -1.304 103 HD2 TYR 13 HD2 TYR 13 2.075 11.219 2.516 104 HE1 TYR 13 HE1 TYR 13 0.004 10.153 -1.884 105 HE2 TYR 13 HE2 TYR 13 -0.182 12.114 1.951 106 HH TYR 13 HH TYR 13 -1.697 11.527 -1.249 107 H ALA 14 H ALA 14 5.931 7.655 -0.583 108 HA ALA 14 HA ALA 14 7.657 6.490 1.415 109 HB1 ALA 14 1HB ALA 14 8.102 7.194 -1.514 110 HB2 ALA 14 2HB ALA 14 9.163 6.171 -0.529 111 HB3 ALA 14 3HB ALA 14 7.502 5.648 -0.890 112 H LYS 15 H LYS 15 7.934 8.191 2.936 113 HA LYS 15 HA LYS 15 9.046 10.736 2.452 114 HB2 LYS 15 2HB LYS 15 8.017 9.964 4.581 115 HB3 LYS 15 3HB LYS 15 9.389 8.900 4.870 116 HG2 LYS 15 2HG LYS 15 9.562 10.870 6.244 117 HG3 LYS 15 3HG LYS 15 10.889 10.860 5.084 118 HD2 LYS 15 2HD LYS 15 9.702 12.515 3.678 119 HD3 LYS 15 3HD LYS 15 8.321 12.502 4.780 120 HE2 LYS 15 2HE LYS 15 11.168 13.321 5.539 121 HE3 LYS 15 3HE LYS 15 9.913 14.450 5.027 122 HZ1 LYS 15 3HZ LYS 15 8.578 13.751 6.945 123 HZ2 LYS 15 1HZ LYS 15 9.757 12.734 7.447 124 HZ3 LYS 15 2HZ LYS 15 10.016 14.342 7.430 125 H SER 16 H SER 16 10.722 7.647 2.850 126 HA SER 16 HA SER 16 12.652 8.679 0.963 127 HB2 SER 16 2HB SER 16 13.766 9.104 3.184 128 HB3 SER 16 3HB SER 16 13.836 7.345 3.407 129 HG SER 16 HG SER 16 15.715 8.312 2.361 130 H GLY 17 H GLY 17 13.676 7.089 -0.234 131 HA2 GLY 17 2HA GLY 17 11.972 4.757 -0.699 132 HA3 GLY 17 3HA GLY 17 13.248 5.369 -1.743 133 H ARG 18 H ARG 18 13.195 4.127 1.635 134 HA ARG 18 HA ARG 18 15.534 2.356 1.068 135 HB2 ARG 18 2HB ARG 18 14.139 3.248 3.616 136 HB3 ARG 18 3HB ARG 18 15.219 1.864 3.601 137 HG2 ARG 18 2HG ARG 18 16.486 3.730 4.320 138 HG3 ARG 18 3HG ARG 18 17.069 3.258 2.723 139 HD2 ARG 18 2HD ARG 18 15.816 5.150 1.707 140 HD3 ARG 18 3HD ARG 18 15.139 5.542 3.286 141 HE ARG 18 HE ARG 18 17.148 6.514 3.946 142 HH11 ARG 18 1HH2 ARG 18 17.828 4.848 0.915 143 HH12 ARG 18 2HH2 ARG 18 19.190 5.912 0.591 144 HH21 ARG 18 1HH1 ARG 18 18.964 7.737 3.416 145 HH22 ARG 18 2HH1 ARG 18 19.781 7.401 1.899 146 H ALA 19 H ALA 19 12.134 2.029 1.096 147 HA ALA 19 HA ALA 19 12.052 -0.782 1.838 148 HB1 ALA 19 1HB ALA 19 9.974 1.028 0.544 149 HB2 ALA 19 2HB ALA 19 9.688 -0.600 1.188 150 HB3 ALA 19 3HB ALA 19 10.157 0.707 2.286 151 H SER 20 H SER 20 11.557 -2.528 0.493 152 HA SER 20 HA SER 20 12.372 -2.268 -2.376 153 HB2 SER 20 2HB SER 20 12.772 -4.628 -0.521 154 HB3 SER 20 3HB SER 20 13.209 -4.547 -2.240 155 HG SER 20 HG SER 20 14.997 -4.089 -0.856 156 H CYS 21 HN CYS 21 11.070 -3.108 -3.919 157 HA CYS 21 HA CYS 21 8.339 -3.772 -3.135 158 HB2 CYS 21 2HB CYS 21 8.931 -2.298 -5.027 159 HB3 CYS 21 3HB CYS 21 9.683 -3.677 -5.848 160 H LYS 22 H LYS 22 7.681 -5.719 -2.606 161 HA LYS 22 HA LYS 22 9.302 -8.095 -3.003 162 HB2 LYS 22 2HB LYS 22 6.478 -7.801 -1.925 163 HB3 LYS 22 3HB LYS 22 7.485 -9.215 -1.702 164 HG2 LYS 22 2HG LYS 22 8.136 -6.426 -0.675 165 HG3 LYS 22 3HG LYS 22 7.281 -7.625 0.259 166 HD2 LYS 22 2HD LYS 22 10.101 -7.927 -0.858 167 HD3 LYS 22 3HD LYS 22 9.705 -7.445 0.805 168 HE2 LYS 22 2HE LYS 22 8.519 -9.608 1.154 169 HE3 LYS 22 3HE LYS 22 8.972 -10.115 -0.477 170 HZ1 LYS 22 3HZ LYS 22 10.892 -9.493 1.705 171 HZ2 LYS 22 1HZ LYS 22 10.519 -10.989 1.171 172 HZ3 LYS 22 2HZ LYS 22 11.312 -9.952 0.194 173 H LYS 23 H LYS 23 7.140 -6.676 -5.084 174 HA LYS 23 HA LYS 23 6.269 -9.256 -6.330 175 HB2 LYS 23 2HB LYS 23 4.462 -7.799 -5.644 176 HB3 LYS 23 3HB LYS 23 5.128 -6.461 -6.580 177 HG2 LYS 23 2HG LYS 23 3.206 -7.466 -7.690 178 HG3 LYS 23 3HG LYS 23 4.657 -7.658 -8.672 179 HD2 LYS 23 2HD LYS 23 4.859 -10.023 -7.950 180 HD3 LYS 23 3HD LYS 23 3.454 -9.827 -6.881 181 HE2 LYS 23 2HE LYS 23 2.034 -9.316 -8.827 182 HE3 LYS 23 3HE LYS 23 3.432 -9.424 -9.905 183 HZ1 LYS 23 3HZ LYS 23 3.632 -11.774 -9.327 184 HZ2 LYS 23 1HZ LYS 23 2.367 -11.690 -8.295 185 HZ3 LYS 23 2HZ LYS 23 2.131 -11.484 -9.895 186 H CYS 24 HN CYS 24 7.580 -6.068 -7.397 187 HA CYS 24 HA CYS 24 8.434 -7.416 -9.903 188 HB2 CYS 24 2HB CYS 24 8.444 -5.416 -11.017 189 HB3 CYS 24 3HB CYS 24 6.944 -5.451 -10.098 190 H SER 25 H SER 25 9.813 -6.813 -6.993 191 HA SER 25 HA SER 25 11.874 -6.974 -6.168 192 HB2 SER 25 2HB SER 25 12.625 -8.214 -8.822 193 HB3 SER 25 3HB SER 25 13.512 -8.359 -7.295 194 HG SER 25 HG SER 25 12.123 -10.153 -7.674 195 H GLU 26 H GLU 26 11.273 -4.461 -7.622 196 HA GLU 26 HA GLU 26 14.062 -3.382 -7.847 197 HB2 GLU 26 2HB GLU 26 11.431 -2.058 -8.596 198 HB3 GLU 26 3HB GLU 26 13.036 -1.371 -8.797 199 HG2 GLU 26 2HG GLU 26 11.864 -3.752 -10.280 200 HG3 GLU 26 3HG GLU 26 12.214 -2.158 -10.927 201 H SER 27 H SER 27 13.925 -0.904 -6.878 202 HA SER 27 HA SER 27 12.902 -1.233 -4.089 203 HB2 SER 27 2HB SER 27 15.181 0.562 -4.841 204 HB3 SER 27 3HB SER 27 14.588 0.065 -3.231 205 HG SER 27 HG SER 27 16.471 -1.107 -3.877 206 H ILE 28 H ILE 28 11.741 0.361 -3.118 207 HA ILE 28 HA ILE 28 10.084 1.661 -5.072 208 HB ILE 28 HB ILE 28 9.936 1.620 -2.039 209 HG12 ILE 28 2HG1 ILE 28 8.425 -0.045 -4.114 210 HG13 ILE 28 3HG1 ILE 28 9.799 -0.628 -3.175 211 HG21 ILE 28 1HG2 ILE 28 8.639 3.541 -2.996 212 HG22 ILE 28 2HG2 ILE 28 7.775 2.408 -4.061 213 HG23 ILE 28 3HG2 ILE 28 7.600 2.311 -2.302 214 HD11 ILE 28 3HD1 ILE 28 8.521 -0.202 -1.070 215 HD12 ILE 28 1HD1 ILE 28 7.087 0.130 -2.068 216 HD13 ILE 28 2HD1 ILE 28 7.860 -1.463 -2.123 217 HA PRO 29 HA PRO 29 12.408 5.424 -4.962 218 HB2 PRO 29 2HB PRO 29 10.857 7.114 -6.464 219 HB3 PRO 29 3HB PRO 29 11.812 5.759 -7.133 220 HG2 PRO 29 2HG PRO 29 8.872 5.778 -6.395 221 HG3 PRO 29 3HG PRO 29 9.623 5.191 -7.913 222 HD2 PRO 29 2HD PRO 29 8.965 3.499 -5.893 223 HD3 PRO 29 3HD PRO 29 10.466 3.256 -6.848 224 H LYS 30 H LYS 30 12.643 7.264 -3.828 225 HA LYS 30 HA LYS 30 10.928 8.138 -1.706 226 HB2 LYS 30 2HB LYS 30 13.356 8.593 -1.889 227 HB3 LYS 30 3HB LYS 30 13.077 9.602 -3.307 228 HG2 LYS 30 2HG LYS 30 11.840 11.237 -1.942 229 HG3 LYS 30 3HG LYS 30 12.013 10.206 -0.511 230 HD2 LYS 30 2HD LYS 30 14.510 10.435 -0.689 231 HD3 LYS 30 3HD LYS 30 14.293 11.420 -2.137 232 HE2 LYS 30 2HE LYS 30 14.659 13.010 -0.488 233 HE3 LYS 30 3HE LYS 30 12.908 13.031 -0.697 234 HZ1 LYS 30 3HZ LYS 30 13.551 13.002 1.651 235 HZ2 LYS 30 1HZ LYS 30 12.743 11.624 1.321 236 HZ3 LYS 30 2HZ LYS 30 14.374 11.606 1.469 237 H ASP 31 H ASP 31 9.483 9.803 -1.528 238 HA ASP 31 HA ASP 31 7.723 11.074 -2.059 239 HB2 ASP 31 2HB ASP 31 9.592 12.602 -2.589 240 HB3 ASP 31 3HB ASP 31 9.467 12.153 -4.289 241 H SER 32 H SER 32 7.258 8.610 -2.815 242 HA SER 32 HA SER 32 5.306 8.922 -5.015 243 HB2 SER 32 2HB SER 32 7.385 7.784 -5.907 244 HB3 SER 32 3HB SER 32 7.071 6.459 -4.765 245 HG SER 32 HG SER 32 6.152 6.154 -6.905 246 H LEU 33 H LEU 33 3.821 6.817 -4.919 247 HA LEU 33 HA LEU 33 2.939 6.600 -2.085 248 HB2 LEU 33 2HB LEU 33 1.362 7.544 -3.786 249 HB3 LEU 33 3HB LEU 33 1.453 6.021 -4.670 250 HG LEU 33 HG LEU 33 0.527 4.859 -2.622 251 HD11 LEU 33 1HD1 LEU 33 1.043 6.561 -0.893 252 HD12 LEU 33 2HD1 LEU 33 -0.034 7.712 -1.706 253 HD13 LEU 33 3HD1 LEU 33 -0.693 6.245 -0.971 254 HD21 LEU 33 3HD2 LEU 33 -1.209 7.083 -3.763 255 HD22 LEU 33 1HD2 LEU 33 -0.889 5.524 -4.561 256 HD23 LEU 33 2HD2 LEU 33 -1.780 5.566 -3.032 257 H ARG 34 H ARG 34 2.910 4.681 -1.020 258 HA ARG 34 HA ARG 34 3.463 2.153 -2.476 259 HB2 ARG 34 2HB ARG 34 5.261 1.532 -1.045 260 HB3 ARG 34 3HB ARG 34 5.620 3.077 -1.815 261 HG2 ARG 34 2HG ARG 34 5.148 4.276 0.281 262 HG3 ARG 34 3HG ARG 34 4.700 2.747 1.076 263 HD2 ARG 34 2HD ARG 34 6.976 1.867 0.700 264 HD3 ARG 34 3HD ARG 34 7.412 3.348 -0.167 265 HE ARG 34 HE ARG 34 6.521 3.625 2.666 266 HH11 ARG 34 1HH2 ARG 34 9.311 3.634 0.522 267 HH12 ARG 34 2HH2 ARG 34 10.272 4.508 1.696 268 HH21 ARG 34 1HH1 ARG 34 7.754 4.549 4.052 269 HH22 ARG 34 2HH1 ARG 34 9.470 4.847 3.747 270 H MET 35 H MET 35 3.106 0.273 -1.288 271 HA MET 35 HA MET 35 1.255 0.476 0.999 272 HB2 MET 35 2HB MET 35 0.803 -1.094 -1.568 273 HB3 MET 35 3HB MET 35 -0.034 -1.475 -0.052 274 HG2 MET 35 2HG MET 35 -0.899 0.832 0.046 275 HG3 MET 35 3HG MET 35 -0.139 1.181 -1.511 276 HE1 MET 35 3HE MET 35 -3.978 -1.276 -0.733 277 HE2 MET 35 1HE MET 35 -2.416 -1.825 -0.075 278 HE3 MET 35 2HE MET 35 -3.111 -0.265 0.441 279 H ALA 36 H ALA 36 1.034 -1.550 2.193 280 HA ALA 36 HA ALA 36 3.235 -3.456 1.842 281 HB1 ALA 36 1HB ALA 36 3.212 -2.817 4.651 282 HB2 ALA 36 2HB ALA 36 4.541 -2.723 3.485 283 HB3 ALA 36 3HB ALA 36 3.472 -1.330 3.717 284 H ILE 37 H ILE 37 3.049 -5.365 3.300 285 HA ILE 37 HA ILE 37 0.245 -5.886 4.176 286 HB ILE 37 HB ILE 37 1.942 -7.296 2.212 287 HG12 ILE 37 2HG1 ILE 37 -1.030 -7.437 2.847 288 HG13 ILE 37 3HG1 ILE 37 -0.292 -6.124 1.924 289 HG21 ILE 37 1HG2 ILE 37 0.378 -9.004 4.175 290 HG22 ILE 37 2HG2 ILE 37 1.149 -9.535 2.650 291 HG23 ILE 37 3HG2 ILE 37 2.152 -8.975 3.976 292 HD11 ILE 37 3HD1 ILE 37 0.440 -7.728 0.195 293 HD12 ILE 37 1HD1 ILE 37 -0.365 -9.041 1.084 294 HD13 ILE 37 2HD1 ILE 37 -1.317 -7.705 0.411 295 H MET 38 H MET 38 -0.111 -6.925 6.052 296 HA MET 38 HA MET 38 2.213 -7.192 7.836 297 HB2 MET 38 2HB MET 38 -0.751 -7.543 8.378 298 HB3 MET 38 3HB MET 38 0.499 -7.537 9.615 299 HG2 MET 38 2HG MET 38 0.055 -5.133 7.807 300 HG3 MET 38 3HG MET 38 -0.933 -5.419 9.219 301 HE1 MET 38 3HE MET 38 3.544 -4.343 9.284 302 HE2 MET 38 1HE MET 38 3.137 -6.068 9.284 303 HE3 MET 38 2HE MET 38 2.611 -5.040 7.926 304 H VAL 39 H VAL 39 3.351 -8.915 8.034 305 HA VAL 39 HA VAL 39 1.918 -11.515 8.337 306 HB VAL 39 HB VAL 39 2.820 -11.487 6.076 307 HG11 VAL 39 1HG1 VAL 39 5.586 -11.270 7.323 308 HG12 VAL 39 2HG1 VAL 39 5.194 -11.546 5.614 309 HG13 VAL 39 3HG1 VAL 39 4.771 -10.005 6.376 310 HG21 VAL 39 3HG2 VAL 39 4.375 -13.453 7.772 311 HG22 VAL 39 1HG2 VAL 39 2.659 -13.620 7.318 312 HG23 VAL 39 2HG2 VAL 39 3.915 -13.605 6.072 313 H GLN 40 H GLN 40 2.722 -12.924 9.805 314 HA GLN 40 HA GLN 40 4.460 -11.908 11.923 315 HB2 GLN 40 2HB GLN 40 4.101 -14.303 12.793 316 HB3 GLN 40 3HB GLN 40 2.748 -13.176 12.792 317 HG2 GLN 40 2HG GLN 40 1.766 -14.188 10.819 318 HG3 GLN 40 3HG GLN 40 3.173 -15.226 10.581 319 HE21 GLN 40 2HE2 GLN 40 1.102 -16.757 10.574 320 HE22 GLN 40 1HE2 GLN 40 0.746 -17.472 12.141 321 H SER 41 H SER 41 6.604 -12.183 12.145 322 HA SER 41 HA SER 41 8.011 -13.331 9.880 323 HB2 SER 41 2HB SER 41 8.600 -11.109 10.943 324 HB3 SER 41 3HB SER 41 9.209 -12.044 12.332 325 HG SER 41 HG SER 41 10.192 -11.875 9.718 326 HA PRO 42 HA PRO 42 9.656 -16.809 12.137 327 HB2 PRO 42 2HB PRO 42 11.335 -17.858 10.255 328 HB3 PRO 42 3HB PRO 42 9.554 -17.967 10.118 329 HG2 PRO 42 2HG PRO 42 11.404 -15.944 8.825 330 HG3 PRO 42 3HG PRO 42 10.089 -16.887 8.054 331 HD2 PRO 42 2HD PRO 42 9.763 -14.297 8.973 332 HD3 PRO 42 3HD PRO 42 8.430 -15.483 8.966 333 H MET 43 H MET 43 11.292 -13.942 11.168 334 HA MET 43 HA MET 43 13.738 -14.713 12.704 335 HB2 MET 43 2HB MET 43 15.087 -13.442 11.346 336 HB3 MET 43 3HB MET 43 14.040 -14.401 10.314 337 HG2 MET 43 2HG MET 43 12.604 -12.113 10.354 338 HG3 MET 43 3HG MET 43 14.172 -11.431 10.738 339 HE1 MET 43 3HE MET 43 11.892 -13.273 8.257 340 HE2 MET 43 1HE MET 43 12.943 -13.657 6.871 341 HE3 MET 43 2HE MET 43 13.159 -14.500 8.423 342 H PHE 44 H PHE 44 11.197 -12.342 12.486 343 HA PHE 44 HA PHE 44 12.462 -10.635 14.586 344 HB2 PHE 44 2HB PHE 44 11.937 -9.461 12.537 345 HB3 PHE 44 3HB PHE 44 10.292 -10.058 12.550 346 HD1 PHE 44 HD2 PHE 44 12.682 -7.839 14.377 347 HD2 PHE 44 HD1 PHE 44 8.563 -8.934 13.732 348 HE1 PHE 44 HE2 PHE 44 11.945 -5.832 15.644 349 HE2 PHE 44 HE1 PHE 44 7.827 -6.923 14.991 350 HZ PHE 44 HZ PHE 44 9.520 -5.372 15.953 351 H ASP 45 H ASP 45 11.184 -9.950 16.355 352 HA ASP 45 HA ASP 45 9.614 -12.162 17.446 353 HB2 ASP 45 2HB ASP 45 9.972 -11.140 19.594 354 HB3 ASP 45 3HB ASP 45 11.474 -11.321 18.711 355 H GLY 46 H GLY 46 8.139 -11.087 15.498 356 HA2 GLY 46 2HA GLY 46 5.566 -10.677 16.439 357 HA3 GLY 46 3HA GLY 46 6.251 -9.048 16.354 358 H LYS 47 H LYS 47 4.972 -8.330 14.681 359 HA LYS 47 HA LYS 47 5.094 -9.809 12.093 360 HB2 LYS 47 2HB LYS 47 2.959 -7.820 12.901 361 HB3 LYS 47 3HB LYS 47 2.995 -8.880 11.491 362 HG2 LYS 47 2HG LYS 47 3.284 -10.727 13.534 363 HG3 LYS 47 3HG LYS 47 2.328 -9.499 14.349 364 HD2 LYS 47 2HD LYS 47 1.681 -11.006 11.794 365 HD3 LYS 47 3HD LYS 47 0.948 -11.262 13.375 366 HE2 LYS 47 2HE LYS 47 0.665 -8.766 11.637 367 HE3 LYS 47 3HE LYS 47 -0.530 -10.055 11.801 368 HZ1 LYS 47 3HZ LYS 47 -0.724 -9.478 14.174 369 HZ2 LYS 47 1HZ LYS 47 0.369 -8.254 14.000 370 HZ3 LYS 47 2HZ LYS 47 -1.049 -8.170 13.230 371 H VAL 48 H VAL 48 5.333 -8.803 10.190 372 HA VAL 48 HA VAL 48 6.786 -6.205 10.264 373 HB VAL 48 HB VAL 48 8.412 -7.178 8.687 374 HG11 VAL 48 1HG1 VAL 48 8.282 -8.669 11.347 375 HG12 VAL 48 2HG1 VAL 48 9.730 -8.373 10.369 376 HG13 VAL 48 3HG1 VAL 48 8.889 -7.013 11.131 377 HG21 VAL 48 3HG2 VAL 48 7.140 -9.122 7.823 378 HG22 VAL 48 1HG2 VAL 48 8.693 -9.615 8.507 379 HG23 VAL 48 2HG2 VAL 48 7.198 -9.882 9.425 380 HA PRO 49 HA PRO 49 4.434 -5.456 6.581 381 HB2 PRO 49 2HB PRO 49 5.523 -3.120 5.686 382 HB3 PRO 49 3HB PRO 49 4.594 -3.227 7.212 383 HG2 PRO 49 2HG PRO 49 7.605 -3.272 6.843 384 HG3 PRO 49 3HG PRO 49 6.647 -2.319 8.016 385 HD2 PRO 49 2HD PRO 49 7.866 -4.718 8.629 386 HD3 PRO 49 3HD PRO 49 6.352 -4.167 9.408 387 H HIS 50 H HIS 50 4.498 -6.399 4.615 388 HA HIS 50 HA HIS 50 7.043 -6.627 3.054 389 HB2 HIS 50 2HB HIS 50 4.335 -7.986 2.945 390 HB3 HIS 50 3HB HIS 50 5.403 -7.988 1.551 391 HD2 HIS 50 HD2 HIS 50 6.794 -8.333 5.125 392 HE1 HIS 50 HE1 HIS 50 7.311 -12.107 3.208 393 HE2 HIS 50 HE2 HIS 50 7.888 -10.737 5.279 394 H TRP 51 H TRP 51 7.480 -4.749 2.067 395 HA TRP 51 HA TRP 51 5.417 -2.903 1.269 396 HB2 TRP 51 2HB TRP 51 8.418 -2.905 0.798 397 HB3 TRP 51 3HB TRP 51 7.324 -1.560 0.489 398 HD1 TRP 51 HD1 TRP 51 9.268 -3.187 3.252 399 HE1 TRP 51 HE1 TRP 51 8.929 -1.911 5.450 400 HE3 TRP 51 HE3 TRP 51 5.468 -0.075 1.791 401 HZ2 TRP 51 HZ2 TRP 51 7.111 0.075 6.501 402 HZ3 TRP 51 HZ3 TRP 51 4.420 1.465 3.434 403 HH2 TRP 51 HH2 TRP 51 5.221 1.529 5.789 404 H TYR 52 H TYR 52 4.814 -2.213 -0.765 405 HA TYR 52 HA TYR 52 6.277 -3.121 -3.116 406 HB2 TYR 52 2HB TYR 52 3.366 -3.475 -3.511 407 HB3 TYR 52 3HB TYR 52 4.773 -4.305 -4.185 408 HD1 TYR 52 HD1 TYR 52 2.907 -4.201 -0.876 409 HD2 TYR 52 HD2 TYR 52 4.946 -6.507 -3.883 410 HE1 TYR 52 HE1 TYR 52 2.275 -6.313 0.300 411 HE2 TYR 52 HE2 TYR 52 4.275 -8.612 -2.733 412 HH TYR 52 HH TYR 52 2.420 -8.613 0.311 413 H HIS 53 H HIS 53 5.681 -1.882 -5.042 414 HA HIS 53 HA HIS 53 4.990 0.901 -4.667 415 HB2 HIS 53 2HB HIS 53 4.606 -0.817 -7.153 416 HB3 HIS 53 3HB HIS 53 4.532 0.922 -7.097 417 HD2 HIS 53 HD2 HIS 53 6.838 2.283 -6.552 418 HE1 HIS 53 HE1 HIS 53 9.384 -0.742 -8.145 419 HE2 HIS 53 HE2 HIS 53 9.230 1.705 -7.503 420 H PHE 54 H PHE 54 2.961 2.012 -5.133 421 HA PHE 54 HA PHE 54 0.680 0.929 -3.968 422 HB2 PHE 54 2HB PHE 54 0.789 3.253 -4.243 423 HB3 PHE 54 3HB PHE 54 1.073 3.148 -5.975 424 HD1 PHE 54 HD2 PHE 54 -1.582 2.333 -3.396 425 HD2 PHE 54 HD1 PHE 54 -0.703 3.403 -7.486 426 HE1 PHE 54 HE2 PHE 54 -4.008 2.445 -3.897 427 HE2 PHE 54 HE1 PHE 54 -3.132 3.544 -7.964 428 HZ PHE 54 HZ PHE 54 -4.785 3.063 -6.172 429 H SER 55 H SER 55 1.494 0.780 -7.487 430 HA SER 55 HA SER 55 -1.050 -0.493 -8.174 431 HB2 SER 55 2HB SER 55 0.195 1.016 -9.716 432 HB3 SER 55 3HB SER 55 1.477 -0.202 -9.827 433 HG SER 55 HG SER 55 -1.246 -0.416 -10.656 434 H CYS 56 HN CYS 56 2.307 -1.573 -7.561 435 HA CYS 56 HA CYS 56 2.074 -4.198 -8.421 436 HB2 CYS 56 2HB CYS 56 3.787 -2.927 -6.276 437 HB3 CYS 56 3HB CYS 56 3.946 -4.614 -6.743 438 H PHE 57 H PHE 57 1.110 -2.827 -5.278 439 HA PHE 57 HA PHE 57 0.543 -5.105 -3.731 440 HB2 PHE 57 2HB PHE 57 0.371 -2.846 -2.913 441 HB3 PHE 57 3HB PHE 57 -0.980 -2.499 -3.986 442 HD1 PHE 57 HD1 PHE 57 -3.186 -3.676 -3.663 443 HD2 PHE 57 HD2 PHE 57 0.011 -3.975 -0.790 444 HE1 PHE 57 HE1 PHE 57 -4.784 -4.557 -1.998 445 HE2 PHE 57 HE2 PHE 57 -1.621 -4.748 0.914 446 HZ PHE 57 HZ PHE 57 -4.009 -5.089 0.302 447 H TRP 58 H TRP 58 -1.657 -3.516 -6.099 448 HA TRP 58 HA TRP 58 -3.743 -5.492 -5.807 449 HB2 TRP 58 2HB TRP 58 -3.371 -3.516 -8.066 450 HB3 TRP 58 3HB TRP 58 -4.858 -4.292 -7.519 451 HD1 TRP 58 HD1 TRP 58 -2.604 -1.374 -6.874 452 HE1 TRP 58 HE1 TRP 58 -3.398 0.064 -4.922 453 HE3 TRP 58 HE3 TRP 58 -6.410 -4.363 -5.202 454 HZ2 TRP 58 HZ2 TRP 58 -5.509 -0.028 -2.908 455 HZ3 TRP 58 HZ3 TRP 58 -7.792 -3.655 -3.276 456 HH2 TRP 58 HH2 TRP 58 -7.335 -1.492 -2.128 457 H LYS 59 H LYS 59 -0.981 -5.131 -7.957 458 HA LYS 59 HA LYS 59 -1.594 -7.229 -9.837 459 HB2 LYS 59 2HB LYS 59 -0.070 -5.237 -10.105 460 HB3 LYS 59 3HB LYS 59 1.056 -6.029 -9.002 461 HG2 LYS 59 2HG LYS 59 1.457 -7.821 -10.578 462 HG3 LYS 59 3HG LYS 59 0.163 -7.221 -11.636 463 HD2 LYS 59 2HD LYS 59 2.333 -6.529 -12.542 464 HD3 LYS 59 3HD LYS 59 1.415 -5.123 -11.996 465 HE2 LYS 59 2HE LYS 59 2.770 -5.466 -9.740 466 HE3 LYS 59 3HE LYS 59 3.862 -6.419 -10.734 467 HZ1 LYS 59 3HZ LYS 59 4.332 -4.472 -12.032 468 HZ2 LYS 59 1HZ LYS 59 3.074 -3.630 -11.394 469 HZ3 LYS 59 2HZ LYS 59 4.347 -3.970 -10.453 470 H VAL 60 H VAL 60 -0.316 -7.344 -6.530 471 HA VAL 60 HA VAL 60 0.583 -10.109 -6.673 472 HB VAL 60 HB VAL 60 -0.688 -8.825 -4.236 473 HG11 VAL 60 1HG1 VAL 60 1.405 -11.025 -4.552 474 HG12 VAL 60 2HG1 VAL 60 0.896 -10.322 -3.005 475 HG13 VAL 60 3HG1 VAL 60 -0.259 -11.232 -3.964 476 HG21 VAL 60 3HG2 VAL 60 2.207 -8.620 -5.156 477 HG22 VAL 60 1HG2 VAL 60 1.059 -7.293 -4.866 478 HG23 VAL 60 2HG2 VAL 60 1.625 -8.237 -3.517 479 H GLY 61 H GLY 61 -2.594 -8.664 -6.741 480 HA2 GLY 61 2HA GLY 61 -4.585 -9.791 -7.295 481 HA3 GLY 61 3HA GLY 61 -3.938 -11.316 -6.690 482 H HIS 62 H HIS 62 -3.345 -8.757 -4.475 483 HA HIS 62 HA HIS 62 -5.384 -9.686 -2.592 484 HB2 HIS 62 2HB HIS 62 -3.170 -7.641 -2.486 485 HB3 HIS 62 3HB HIS 62 -4.482 -7.571 -1.315 486 HD2 HIS 62 HD2 HIS 62 -1.471 -9.742 -2.250 487 HE1 HIS 62 HE1 HIS 62 -3.149 -11.453 1.276 488 HE2 HIS 62 HE2 HIS 62 -1.182 -11.535 -0.340 489 H SER 63 H SER 63 -7.006 -8.472 -1.664 490 HA SER 63 HA SER 63 -8.081 -6.113 -3.068 491 HB2 SER 63 2HB SER 63 -9.022 -8.136 -4.219 492 HB3 SER 63 3HB SER 63 -9.733 -8.637 -2.671 493 HG SER 63 HG SER 63 -11.185 -7.405 -4.000 494 H ILE 64 H ILE 64 -9.798 -5.090 -1.827 495 HA ILE 64 HA ILE 64 -9.563 -5.517 1.127 496 HB ILE 64 HB ILE 64 -9.140 -2.815 -0.187 497 HG12 ILE 64 2HG1 ILE 64 -6.969 -4.813 0.557 498 HG13 ILE 64 3HG1 ILE 64 -7.294 -4.126 -1.028 499 HG21 ILE 64 1HG2 ILE 64 -8.436 -3.893 2.567 500 HG22 ILE 64 2HG2 ILE 64 -8.189 -2.234 2.001 501 HG23 ILE 64 3HG2 ILE 64 -9.832 -2.860 2.192 502 HD11 ILE 64 3HD1 ILE 64 -5.445 -2.927 -0.306 503 HD12 ILE 64 1HD1 ILE 64 -6.782 -1.823 0.037 504 HD13 ILE 64 2HD1 ILE 64 -6.039 -2.777 1.347 505 H ARG 65 H ARG 65 -11.392 -5.072 2.234 506 HA ARG 65 HA ARG 65 -13.811 -4.331 0.595 507 HB2 ARG 65 2HB ARG 65 -15.034 -5.938 2.172 508 HB3 ARG 65 3HB ARG 65 -14.111 -6.595 0.842 509 HG2 ARG 65 2HG ARG 65 -12.812 -6.382 3.569 510 HG3 ARG 65 3HG ARG 65 -13.972 -7.658 3.268 511 HD2 ARG 65 2HD ARG 65 -12.582 -8.850 1.958 512 HD3 ARG 65 3HD ARG 65 -11.985 -7.431 1.092 513 HE ARG 65 HE ARG 65 -10.799 -7.216 3.604 514 HH11 ARG 65 1HH2 ARG 65 -10.624 -9.589 0.999 515 HH12 ARG 65 2HH2 ARG 65 -8.945 -9.905 1.352 516 HH21 ARG 65 1HH1 ARG 65 -8.850 -7.707 3.996 517 HH22 ARG 65 2HH1 ARG 65 -7.888 -8.721 2.916 518 H HIS 66 H HIS 66 -12.156 -3.738 3.567 519 HA HIS 66 HA HIS 66 -13.893 -1.383 3.894 520 HB2 HIS 66 2HB HIS 66 -14.006 -1.552 6.320 521 HB3 HIS 66 3HB HIS 66 -14.986 -2.715 5.456 522 HD2 HIS 66 HD2 HIS 66 -12.753 -5.085 5.168 523 HE1 HIS 66 HE1 HIS 66 -13.055 -5.173 9.390 524 HE2 HIS 66 HE2 HIS 66 -12.328 -6.475 7.341 525 HA PRO 67 HA PRO 67 -9.357 -0.954 3.615 526 HB2 PRO 67 2HB PRO 67 -9.273 1.295 1.937 527 HB3 PRO 67 3HB PRO 67 -9.386 -0.388 1.355 528 HG2 PRO 67 2HG PRO 67 -11.657 1.553 1.860 529 HG3 PRO 67 3HG PRO 67 -11.363 0.553 0.397 530 HD2 PRO 67 2HD PRO 67 -13.100 -0.257 2.255 531 HD3 PRO 67 3HD PRO 67 -11.945 -1.445 1.576 532 H ASP 68 H ASP 68 -11.709 1.507 4.520 533 HA ASP 68 HA ASP 68 -9.873 3.377 5.667 534 HB2 ASP 68 2HB ASP 68 -12.344 3.632 5.019 535 HB3 ASP 68 3HB ASP 68 -12.754 2.746 6.480 536 H VAL 69 H VAL 69 -10.996 0.286 6.683 537 HA VAL 69 HA VAL 69 -10.020 0.577 9.463 538 HB VAL 69 HB VAL 69 -11.528 -1.737 8.197 539 HG11 VAL 69 1HG1 VAL 69 -11.071 -0.973 11.111 540 HG12 VAL 69 2HG1 VAL 69 -12.085 -2.316 10.537 541 HG13 VAL 69 3HG1 VAL 69 -10.345 -2.355 10.256 542 HG21 VAL 69 3HG2 VAL 69 -12.997 0.196 8.070 543 HG22 VAL 69 1HG2 VAL 69 -13.544 -0.862 9.367 544 HG23 VAL 69 2HG2 VAL 69 -12.644 0.623 9.763 545 H GLU 70 H GLU 70 -9.557 -1.277 6.472 546 HA GLU 70 HA GLU 70 -7.574 -3.080 7.729 547 HB2 GLU 70 2HB GLU 70 -8.536 -2.876 4.835 548 HB3 GLU 70 3HB GLU 70 -7.526 -4.162 5.500 549 HG2 GLU 70 2HG GLU 70 -9.347 -4.874 6.982 550 HG3 GLU 70 3HG GLU 70 -10.391 -3.619 6.320 551 H VAL 71 H VAL 71 -7.382 -0.272 5.634 552 HA VAL 71 HA VAL 71 -4.452 -0.686 5.143 553 HB VAL 71 HB VAL 71 -6.200 1.495 4.031 554 HG11 VAL 71 1HG1 VAL 71 -3.484 0.297 3.310 555 HG12 VAL 71 2HG1 VAL 71 -4.305 1.679 2.537 556 HG13 VAL 71 3HG1 VAL 71 -3.717 1.802 4.219 557 HG21 VAL 71 3HG2 VAL 71 -6.039 0.092 1.935 558 HG22 VAL 71 1HG2 VAL 71 -5.369 -1.232 2.927 559 HG23 VAL 71 2HG2 VAL 71 -7.028 -0.667 3.189 560 H ASP 72 H ASP 72 -3.505 -0.410 6.950 561 HA ASP 72 HA ASP 72 -3.775 1.791 8.792 562 HB2 ASP 72 2HB ASP 72 -2.867 -0.465 9.229 563 HB3 ASP 72 3HB ASP 72 -1.518 -0.144 8.144 564 H GLY 73 H GLY 73 -2.562 3.728 8.868 565 HA2 GLY 73 2HA GLY 73 -1.109 5.417 8.193 566 HA3 GLY 73 3HA GLY 73 -0.498 4.382 6.903 567 H PHE 74 H PHE 74 -3.625 4.141 6.248 568 HA PHE 74 HA PHE 74 -3.941 5.977 4.117 569 HB2 PHE 74 2HB PHE 74 -5.229 3.913 4.499 570 HB3 PHE 74 3HB PHE 74 -5.901 4.570 5.984 571 HD1 PHE 74 HD2 PHE 74 -7.710 6.201 5.975 572 HD2 PHE 74 HD1 PHE 74 -6.115 4.575 2.312 573 HE1 PHE 74 HE2 PHE 74 -9.720 6.986 4.755 574 HE2 PHE 74 HE1 PHE 74 -8.144 5.342 1.099 575 HZ PHE 74 HZ PHE 74 -9.934 6.559 2.316 576 H SER 75 H SER 75 -4.403 6.511 7.572 577 HA SER 75 HA SER 75 -5.909 8.947 7.520 578 HB2 SER 75 2HB SER 75 -4.755 9.242 9.784 579 HB3 SER 75 3HB SER 75 -5.747 7.788 9.568 580 HG SER 75 HG SER 75 -3.681 7.356 10.533 581 H GLU 76 H GLU 76 -2.538 8.312 6.737 582 HA GLU 76 HA GLU 76 -1.698 11.099 7.118 583 HB2 GLU 76 2HB GLU 76 -0.219 8.736 5.905 584 HB3 GLU 76 3HB GLU 76 0.486 10.280 6.345 585 HG2 GLU 76 2HG GLU 76 -0.780 8.334 8.332 586 HG3 GLU 76 3HG GLU 76 0.933 8.465 7.989 587 H LEU 77 H LEU 77 -3.230 9.380 4.593 588 HA LEU 77 HA LEU 77 -1.977 10.704 2.318 589 HB2 LEU 77 2HB LEU 77 -4.298 8.815 2.706 590 HB3 LEU 77 3HB LEU 77 -4.093 9.655 1.187 591 HG LEU 77 HG LEU 77 -1.987 8.622 0.744 592 HD11 LEU 77 1HD1 LEU 77 -1.002 6.874 2.151 593 HD12 LEU 77 2HD1 LEU 77 -0.929 8.463 2.911 594 HD13 LEU 77 3HD1 LEU 77 -2.143 7.284 3.454 595 HD21 LEU 77 3HD2 LEU 77 -3.965 6.561 1.792 596 HD22 LEU 77 1HD2 LEU 77 -4.099 7.397 0.240 597 HD23 LEU 77 2HD2 LEU 77 -2.736 6.313 0.529 598 H ARG 78 H ARG 78 -2.888 12.196 0.912 599 HA ARG 78 HA ARG 78 -4.816 14.141 1.960 600 HB2 ARG 78 2HB ARG 78 -3.378 13.750 -0.703 601 HB3 ARG 78 3HB ARG 78 -4.688 14.911 -0.576 602 HG2 ARG 78 2HG ARG 78 -2.203 14.972 1.189 603 HG3 ARG 78 3HG ARG 78 -2.440 15.925 -0.283 604 HD2 ARG 78 2HD ARG 78 -4.514 16.918 0.722 605 HD3 ARG 78 3HD ARG 78 -4.176 16.093 2.231 606 HE ARG 78 HE ARG 78 -2.829 18.456 1.140 607 HH11 ARG 78 1HH2 ARG 78 -2.444 15.890 3.505 608 HH12 ARG 78 2HH2 ARG 78 -1.288 16.806 4.433 609 HH21 ARG 78 1HH1 ARG 78 -1.352 19.554 2.370 610 HH22 ARG 78 2HH1 ARG 78 -0.692 18.822 3.802 611 H TRP 79 H TRP 79 -6.759 14.732 0.891 612 HA TRP 79 HA TRP 79 -8.630 12.693 0.904 613 HB2 TRP 79 2HB TRP 79 -9.686 14.641 1.229 614 HB3 TRP 79 3HB TRP 79 -8.577 15.549 0.224 615 HD1 TRP 79 HD1 TRP 79 -11.940 13.797 0.045 616 HE1 TRP 79 HE1 TRP 79 -13.098 14.424 -2.172 617 HE3 TRP 79 HE3 TRP 79 -8.058 16.218 -2.214 618 HZ2 TRP 79 HZ2 TRP 79 -12.379 15.741 -4.654 619 HZ3 TRP 79 HZ3 TRP 79 -8.290 17.129 -4.510 620 HH2 TRP 79 HH2 TRP 79 -10.448 16.901 -5.741 621 H ASP 80 H ASP 80 -7.025 14.027 -2.019 622 HA ASP 80 HA ASP 80 -8.519 12.531 -3.924 623 HB2 ASP 80 2HB ASP 80 -7.132 14.541 -4.393 624 HB3 ASP 80 3HB ASP 80 -5.676 13.597 -4.090 625 H ASP 81 H ASP 81 -5.874 11.519 -1.885 626 HA ASP 81 HA ASP 81 -5.263 9.097 -3.502 627 HB2 ASP 81 2HB ASP 81 -3.909 10.398 -1.123 628 HB3 ASP 81 3HB ASP 81 -3.589 8.726 -1.587 629 H GLN 82 H GLN 82 -6.668 10.100 -0.349 630 HA GLN 82 HA GLN 82 -7.399 7.485 0.533 631 HB2 GLN 82 2HB GLN 82 -8.598 10.254 0.933 632 HB3 GLN 82 3HB GLN 82 -9.331 8.811 1.643 633 HG2 GLN 82 2HG GLN 82 -7.221 8.253 2.775 634 HG3 GLN 82 3HG GLN 82 -6.456 9.695 2.103 635 HE21 GLN 82 2HE2 GLN 82 -6.461 9.328 4.844 636 HE22 GLN 82 1HE2 GLN 82 -7.540 10.530 5.566 637 H GLN 83 H GLN 83 -9.155 9.809 -1.581 638 HA GLN 83 HA GLN 83 -11.368 8.116 -2.187 639 HB2 GLN 83 2HB GLN 83 -10.006 10.373 -3.708 640 HB3 GLN 83 3HB GLN 83 -11.454 9.578 -4.312 641 HG2 GLN 83 2HG GLN 83 -11.297 10.899 -1.569 642 HG3 GLN 83 3HG GLN 83 -11.818 11.735 -3.021 643 HE21 GLN 83 2HE2 GLN 83 -13.596 11.688 -0.943 644 HE22 GLN 83 1HE2 GLN 83 -14.903 10.572 -1.307 645 H LYS 84 H LYS 84 -8.120 8.296 -3.809 646 HA LYS 84 HA LYS 84 -8.949 6.512 -5.944 647 HB2 LYS 84 2HB LYS 84 -7.376 8.302 -6.347 648 HB3 LYS 84 3HB LYS 84 -6.323 7.736 -5.061 649 HG2 LYS 84 2HG LYS 84 -6.690 5.554 -6.955 650 HG3 LYS 84 3HG LYS 84 -6.337 7.008 -7.866 651 HD2 LYS 84 2HD LYS 84 -4.715 6.215 -5.417 652 HD3 LYS 84 3HD LYS 84 -4.356 5.572 -7.029 653 HE2 LYS 84 2HE LYS 84 -3.966 7.743 -7.964 654 HE3 LYS 84 3HE LYS 84 -4.621 8.571 -6.550 655 HZ1 LYS 84 3HZ LYS 84 -2.201 6.894 -6.305 656 HZ2 LYS 84 1HZ LYS 84 -2.115 8.466 -6.763 657 HZ3 LYS 84 2HZ LYS 84 -2.730 8.120 -5.312 658 H VAL 85 H VAL 85 -7.209 6.139 -2.830 659 HA VAL 85 HA VAL 85 -6.605 3.338 -3.303 660 HB VAL 85 HB VAL 85 -6.808 4.957 -0.740 661 HG11 VAL 85 1HG1 VAL 85 -5.926 2.045 -1.037 662 HG12 VAL 85 2HG1 VAL 85 -5.645 3.050 0.394 663 HG13 VAL 85 3HG1 VAL 85 -7.296 2.650 -0.073 664 HG21 VAL 85 3HG2 VAL 85 -4.410 4.840 -0.709 665 HG22 VAL 85 1HG2 VAL 85 -4.369 3.690 -2.056 666 HG23 VAL 85 2HG2 VAL 85 -4.856 5.371 -2.333 667 H LYS 86 H LYS 86 -9.390 4.994 -1.701 668 HA LYS 86 HA LYS 86 -10.860 2.569 -1.181 669 HB2 LYS 86 2HB LYS 86 -11.730 5.469 -1.502 670 HB3 LYS 86 3HB LYS 86 -12.854 4.147 -1.158 671 HG2 LYS 86 2HG LYS 86 -11.490 3.529 0.843 672 HG3 LYS 86 3HG LYS 86 -10.482 4.956 0.594 673 HD2 LYS 86 2HD LYS 86 -12.339 6.438 0.986 674 HD3 LYS 86 3HD LYS 86 -13.511 5.094 0.965 675 HE2 LYS 86 2HE LYS 86 -12.700 4.162 2.981 676 HE3 LYS 86 3HE LYS 86 -11.228 5.118 2.950 677 HZ1 LYS 86 3HZ LYS 86 -12.677 6.090 4.546 678 HZ2 LYS 86 1HZ LYS 86 -12.665 7.124 3.286 679 HZ3 LYS 86 2HZ LYS 86 -13.955 6.145 3.510 680 H LYS 87 H LYS 87 -10.955 4.749 -4.051 681 HA LYS 87 HA LYS 87 -12.903 3.092 -5.448 682 HB2 LYS 87 2HB LYS 87 -11.131 5.401 -6.242 683 HB3 LYS 87 3HB LYS 87 -11.755 4.357 -7.502 684 HG2 LYS 87 2HG LYS 87 -13.264 6.188 -7.268 685 HG3 LYS 87 3HG LYS 87 -14.063 4.701 -6.763 686 HD2 LYS 87 2HD LYS 87 -13.677 5.355 -4.361 687 HD3 LYS 87 3HD LYS 87 -12.965 6.881 -4.941 688 HE2 LYS 87 2HE LYS 87 -15.068 7.459 -6.071 689 HE3 LYS 87 3HE LYS 87 -15.793 5.936 -5.534 690 HZ1 LYS 87 3HZ LYS 87 -16.372 7.813 -4.072 691 HZ2 LYS 87 1HZ LYS 87 -15.541 6.677 -3.246 692 HZ3 LYS 87 2HZ LYS 87 -14.797 8.064 -3.701 693 H THR 88 H THR 88 -9.325 3.039 -5.472 694 HA THR 88 HA THR 88 -9.133 0.959 -7.398 695 HB THR 88 HB THR 88 -7.111 1.757 -5.276 696 HG1 THR 88 1HG THR 88 -7.541 3.408 -6.598 697 HG21 THR 88 1HG2 THR 88 -6.851 0.255 -7.912 698 HG22 THR 88 2HG2 THR 88 -5.508 0.743 -6.856 699 HG23 THR 88 3HG2 THR 88 -6.656 -0.492 -6.318 700 H ALA 89 H ALA 89 -9.734 0.821 -3.889 701 HA ALA 89 HA ALA 89 -9.446 -2.045 -3.656 702 HB1 ALA 89 1HB ALA 89 -10.969 -0.023 -1.960 703 HB2 ALA 89 2HB ALA 89 -10.574 -1.683 -1.509 704 HB3 ALA 89 3HB ALA 89 -9.273 -0.494 -1.735 705 H GLU 90 H GLU 90 -12.207 0.175 -4.303 706 HA GLU 90 HA GLU 90 -14.145 -1.928 -4.550 707 HB2 GLU 90 2HB GLU 90 -14.092 0.912 -5.645 708 HB3 GLU 90 3HB GLU 90 -15.464 -0.182 -5.837 709 HG2 GLU 90 2HG GLU 90 -15.659 -0.403 -3.384 710 HG3 GLU 90 3HG GLU 90 -14.322 0.720 -3.164 711 H ALA 91 H ALA 91 -11.967 -0.427 -6.884 712 HA ALA 91 HA ALA 91 -12.978 -1.793 -9.214 713 HB1 ALA 91 1HB ALA 91 -10.417 -0.229 -8.653 714 HB2 ALA 91 2HB ALA 91 -11.029 -0.664 -10.266 715 HB3 ALA 91 3HB ALA 91 -11.946 0.450 -9.226 716 H GLY 92 H GLY 92 -10.715 -2.750 -6.744 717 HA2 GLY 92 2HA GLY 92 -9.547 -4.709 -6.425 718 HA3 GLY 92 3HA GLY 92 -10.188 -5.353 -7.941 719 H GLY 93 H GLY 93 -8.426 -2.269 -7.797 720 HA2 GLY 93 2HA GLY 93 -5.981 -2.191 -8.131 721 HA3 GLY 93 3HA GLY 93 -6.145 -3.459 -9.343 722 H VAL 94 H VAL 94 -4.985 -0.877 -9.570 723 HA VAL 94 HA VAL 94 -6.348 0.042 -12.022 724 HB VAL 94 HB VAL 94 -7.053 1.507 -10.072 725 HG11 VAL 94 1HG1 VAL 94 -5.569 3.230 -9.269 726 HG12 VAL 94 2HG1 VAL 94 -4.813 1.663 -8.947 727 HG13 VAL 94 3HG1 VAL 94 -4.240 2.665 -10.296 728 HG21 VAL 94 3HG2 VAL 94 -7.243 2.202 -12.439 729 HG22 VAL 94 1HG2 VAL 94 -6.953 3.555 -11.335 730 HG23 VAL 94 2HG2 VAL 94 -5.627 2.947 -12.340 731 H THR 95 H THR 95 -5.012 0.965 -13.568 732 HA THR 95 HA THR 95 -2.072 1.017 -13.146 733 HB THR 95 HB THR 95 -1.722 -0.173 -15.281 734 HG1 THR 95 1HG THR 95 -3.448 -1.334 -16.165 735 HG21 THR 95 1HG2 THR 95 -3.351 -1.871 -13.340 736 HG22 THR 95 2HG2 THR 95 -2.139 -2.437 -14.509 737 HG23 THR 95 3HG2 THR 95 -1.643 -1.441 -13.131 738 H GLY 96 H GLY 96 -0.922 2.151 -14.918 739 HA2 GLY 96 2HA GLY 96 -2.216 3.739 -16.897 740 HA3 GLY 96 3HA GLY 96 -2.062 4.698 -15.423 741 H LYS 97 H LYS 97 -0.781 6.056 -16.868 742 HA LYS 97 HA LYS 97 2.069 5.186 -17.221 743 HB2 LYS 97 2HB LYS 97 0.452 7.033 -19.025 744 HB3 LYS 97 3HB LYS 97 2.151 6.590 -19.228 745 HG2 LYS 97 2HG LYS 97 1.461 4.187 -19.480 746 HG3 LYS 97 3HG LYS 97 -0.235 4.698 -19.393 747 HD2 LYS 97 2HD LYS 97 0.143 6.163 -21.409 748 HD3 LYS 97 3HD LYS 97 1.804 5.563 -21.483 749 HE2 LYS 97 2HE LYS 97 0.626 4.266 -23.062 750 HE3 LYS 97 3HE LYS 97 0.867 3.209 -21.666 751 HZ1 LYS 97 3HZ LYS 97 -1.408 3.087 -22.529 752 HZ2 LYS 97 1HZ LYS 97 -1.440 3.675 -21.010 753 HZ3 LYS 97 2HZ LYS 97 -1.646 4.680 -22.285 754 H GLY 98 H GLY 98 3.687 6.760 -17.022 755 HA2 GLY 98 2HA GLY 98 3.488 9.471 -16.381 756 HA3 GLY 98 3HA GLY 98 3.313 8.618 -14.846 757 H GLN 99 H GLN 99 5.281 9.896 -14.386 758 HA GLN 99 HA GLN 99 7.838 9.242 -15.533 759 HB2 GLN 99 2HB GLN 99 7.110 10.501 -12.848 760 HB3 GLN 99 3HB GLN 99 8.730 10.383 -13.515 761 HG2 GLN 99 2HG GLN 99 8.108 12.559 -14.028 762 HG3 GLN 99 3HG GLN 99 7.925 11.693 -15.544 763 HE21 GLN 99 2HE2 GLN 99 6.623 13.801 -15.941 764 HE22 GLN 99 1HE2 GLN 99 4.923 13.743 -15.488 765 H ASP 100 H ASP 100 9.636 8.231 -14.413 766 HA ASP 100 HA ASP 100 8.923 5.928 -12.652 767 HB2 ASP 100 2HB ASP 100 8.942 5.208 -15.016 768 HB3 ASP 100 3HB ASP 100 10.575 5.847 -15.204 769 H GLY 101 H GLY 101 10.614 5.097 -11.360 770 HA2 GLY 101 2HA GLY 101 13.294 6.107 -11.306 771 HA3 GLY 101 3HA GLY 101 12.316 6.938 -10.093 772 H ILE 102 H ILE 102 14.363 5.604 -9.111 773 HA ILE 102 HA ILE 102 13.230 3.204 -7.791 774 HB ILE 102 HB ILE 102 14.471 2.433 -9.759 775 HG12 ILE 102 2HG1 ILE 102 15.793 1.696 -7.117 776 HG13 ILE 102 3HG1 ILE 102 14.289 1.037 -7.775 777 HG21 ILE 102 1HG2 ILE 102 17.016 3.536 -8.503 778 HG22 ILE 102 2HG2 ILE 102 16.850 2.676 -10.046 779 HG23 ILE 102 3HG2 ILE 102 16.172 4.289 -9.873 780 HD11 ILE 102 3HD1 ILE 102 15.567 0.141 -9.727 781 HD12 ILE 102 1HD1 ILE 102 17.073 0.659 -8.925 782 HD13 ILE 102 2HD1 ILE 102 16.036 -0.553 -8.159 783 H GLY 103 H GLY 103 13.703 2.985 -5.720 784 HA2 GLY 103 2HA GLY 103 14.570 3.294 -3.618 785 HA3 GLY 103 3HA GLY 103 16.103 3.376 -4.467 786 H SER 104 H SER 104 17.096 4.737 -3.077 787 HA SER 104 HA SER 104 16.576 7.601 -3.288 788 HB2 SER 104 2HB SER 104 15.092 6.885 -1.438 789 HB3 SER 104 3HB SER 104 16.493 6.270 -0.553 790 HG SER 104 HG SER 104 15.949 8.370 0.116 791 H LYS 105 H LYS 105 18.282 8.786 -1.897 792 HA LYS 105 HA LYS 105 20.836 8.041 -2.988 793 HB2 LYS 105 2HB LYS 105 19.946 10.357 -2.685 794 HB3 LYS 105 3HB LYS 105 20.171 10.201 -0.938 795 HG2 LYS 105 2HG LYS 105 22.603 9.996 -1.241 796 HG3 LYS 105 3HG LYS 105 22.407 9.964 -3.008 797 HD2 LYS 105 2HD LYS 105 21.484 12.267 -2.939 798 HD3 LYS 105 3HD LYS 105 21.679 12.292 -1.171 799 HE2 LYS 105 2HE LYS 105 24.126 11.948 -1.439 800 HE3 LYS 105 3HE LYS 105 23.934 11.906 -3.196 801 HZ1 LYS 105 3HZ LYS 105 23.130 14.207 -3.097 802 HZ2 LYS 105 1HZ LYS 105 23.306 14.247 -1.473 803 HZ3 LYS 105 2HZ LYS 105 24.617 14.107 -2.436 804 H ALA 106 H ALA 106 22.837 7.633 -1.948 805 HA ALA 106 HA ALA 106 22.946 6.904 0.860 806 HB1 ALA 106 1HB ALA 106 23.907 4.670 0.390 807 HB2 ALA 106 2HB ALA 106 22.230 4.777 -0.178 808 HB3 ALA 106 3HB ALA 106 23.571 4.880 -1.342 809 H GLU 107 H GLU 107 24.911 7.275 1.648 810 HA GLU 107 HA GLU 107 26.733 8.979 0.252 811 HB2 GLU 107 2HB GLU 107 26.207 8.977 2.714 812 HB3 GLU 107 3HB GLU 107 27.149 7.491 2.875 813 HG2 GLU 107 2HG GLU 107 29.158 8.766 1.980 814 HG3 GLU 107 3HG GLU 107 28.170 10.229 1.998 815 H LYS 108 H LYS 108 26.895 5.513 0.962 816 HA LYS 108 HA LYS 108 29.449 5.224 -0.568 817 HB2 LYS 108 2HB LYS 108 28.747 3.836 2.053 818 HB3 LYS 108 3HB LYS 108 30.160 3.515 1.044 819 HG2 LYS 108 2HG LYS 108 30.880 5.922 1.394 820 HG3 LYS 108 3HG LYS 108 29.552 6.090 2.565 821 HD2 LYS 108 2HD LYS 108 30.524 4.194 3.894 822 HD3 LYS 108 3HD LYS 108 31.828 4.067 2.710 823 HE2 LYS 108 2HE LYS 108 32.796 5.270 4.447 824 HE3 LYS 108 3HE LYS 108 32.417 6.500 3.239 825 HZ1 LYS 108 3HZ LYS 108 31.790 7.135 5.530 826 HZ2 LYS 108 1HZ LYS 108 30.479 7.143 4.577 827 HZ3 LYS 108 2HZ LYS 108 30.730 5.902 5.620 Start of MODEL 28 1 H1 MET 1 H1 MET 1 9.406 3.504 16.769 2 H2 MET 1 H2 MET 1 9.751 1.918 16.577 3 H3 MET 1 H3 MET 1 10.963 3.023 16.588 4 HA MET 1 HA MET 1 10.997 1.900 18.662 5 HB2 MET 1 2HB MET 1 9.865 4.714 18.938 6 HB3 MET 1 3HB MET 1 10.487 3.748 20.282 7 HG2 MET 1 2HG MET 1 12.697 3.607 19.186 8 HG3 MET 1 3HG MET 1 12.089 4.553 17.827 9 HE1 MET 1 1HE MET 1 13.324 4.553 21.520 10 HE2 MET 1 2HE MET 1 12.986 6.209 22.065 11 HE3 MET 1 3HE MET 1 11.648 5.072 21.816 12 H ALA 2 H ALA 2 7.824 3.667 18.798 13 HA ALA 2 HA ALA 2 6.567 1.291 20.029 14 HB1 ALA 2 1HB ALA 2 5.440 4.016 19.267 15 HB2 ALA 2 2HB ALA 2 4.586 2.737 20.154 16 HB3 ALA 2 3HB ALA 2 5.999 3.525 20.883 17 H GLU 3 H GLU 3 5.306 -0.145 18.925 18 HA GLU 3 HA GLU 3 5.002 0.201 15.960 19 HB2 GLU 3 2HB GLU 3 5.682 -2.376 17.405 20 HB3 GLU 3 3HB GLU 3 5.606 -2.114 15.669 21 HG2 GLU 3 2HG GLU 3 7.681 -1.045 17.621 22 HG3 GLU 3 3HG GLU 3 7.911 -2.274 16.393 23 H SER 4 H SER 4 3.342 -1.050 14.930 24 HA SER 4 HA SER 4 1.261 -2.288 16.605 25 HB2 SER 4 2HB SER 4 -0.550 -0.980 15.525 26 HB3 SER 4 3HB SER 4 0.474 -0.018 16.596 27 HG SER 4 HG SER 4 1.442 0.936 14.875 28 H SER 5 H SER 5 0.333 -3.986 15.664 29 HA SER 5 HA SER 5 0.871 -4.562 12.782 30 HB2 SER 5 2HB SER 5 1.412 -6.469 15.077 31 HB3 SER 5 3HB SER 5 1.798 -6.706 13.361 32 HG SER 5 HG SER 5 3.604 -6.027 14.705 33 H ASP 6 H ASP 6 -1.673 -4.013 14.354 34 HA ASP 6 HA ASP 6 -3.036 -6.577 13.943 35 HB2 ASP 6 2HB ASP 6 -3.081 -5.367 16.148 36 HB3 ASP 6 3HB ASP 6 -4.046 -4.105 15.382 37 H LYS 7 H LYS 7 -2.363 -4.798 11.676 38 HA LYS 7 HA LYS 7 -4.956 -4.717 10.314 39 HB2 LYS 7 2HB LYS 7 -4.028 -2.339 9.399 40 HB3 LYS 7 3HB LYS 7 -5.278 -2.567 10.602 41 HG2 LYS 7 2HG LYS 7 -3.807 -0.874 11.351 42 HG3 LYS 7 3HG LYS 7 -3.683 -2.257 12.423 43 HD2 LYS 7 2HD LYS 7 -1.511 -2.890 11.409 44 HD3 LYS 7 3HD LYS 7 -1.676 -1.607 10.211 45 HE2 LYS 7 2HE LYS 7 -1.919 0.006 12.244 46 HE3 LYS 7 3HE LYS 7 -1.364 -1.347 13.233 47 HZ1 LYS 7 3HZ LYS 7 0.461 0.044 12.663 48 HZ2 LYS 7 1HZ LYS 7 0.695 -1.349 11.872 49 HZ3 LYS 7 2HZ LYS 7 0.155 0.000 11.049 50 H LEU 8 H LEU 8 -4.648 -5.881 8.675 51 HA LEU 8 HA LEU 8 -2.039 -6.770 7.939 52 HB2 LEU 8 2HB LEU 8 -3.347 -8.323 6.414 53 HB3 LEU 8 3HB LEU 8 -3.562 -8.452 8.147 54 HG LEU 8 HG LEU 8 -5.739 -7.400 8.063 55 HD11 LEU 8 1HD1 LEU 8 -5.502 -5.784 6.241 56 HD12 LEU 8 2HD1 LEU 8 -5.288 -7.108 5.077 57 HD13 LEU 8 3HD1 LEU 8 -6.844 -6.869 5.904 58 HD21 LEU 8 3HD2 LEU 8 -5.460 -9.510 5.886 59 HD22 LEU 8 1HD2 LEU 8 -5.563 -9.825 7.633 60 HD23 LEU 8 2HD2 LEU 8 -6.941 -9.106 6.785 61 H TYR 9 H TYR 9 -3.631 -4.086 6.659 62 HA TYR 9 HA TYR 9 -1.847 -4.192 4.301 63 HB2 TYR 9 2HB TYR 9 -4.608 -2.956 4.353 64 HB3 TYR 9 3HB TYR 9 -3.486 -2.957 3.001 65 HD1 TYR 9 HD1 TYR 9 -2.606 -5.826 2.980 66 HD2 TYR 9 HD2 TYR 9 -6.486 -4.083 3.547 67 HE1 TYR 9 HE1 TYR 9 -3.643 -7.870 2.013 68 HE2 TYR 9 HE2 TYR 9 -7.543 -6.121 2.577 69 HH TYR 9 HH TYR 9 -5.579 -8.877 1.373 70 H ARG 10 H ARG 10 -0.957 -2.265 3.731 71 HA ARG 10 HA ARG 10 -1.128 0.057 5.589 72 HB2 ARG 10 2HB ARG 10 0.681 -1.348 6.398 73 HB3 ARG 10 3HB ARG 10 1.264 -1.602 4.773 74 HG2 ARG 10 2HG ARG 10 2.828 -0.175 5.786 75 HG3 ARG 10 3HG ARG 10 1.926 0.845 4.672 76 HD2 ARG 10 2HD ARG 10 0.455 1.473 6.688 77 HD3 ARG 10 3HD ARG 10 1.638 0.633 7.701 78 HE ARG 10 HE ARG 10 3.054 2.525 6.136 79 HH11 ARG 10 1HH2 ARG 10 0.723 2.619 8.807 80 HH12 ARG 10 2HH2 ARG 10 1.044 4.331 9.042 81 HH21 ARG 10 1HH1 ARG 10 3.518 4.578 6.728 82 HH22 ARG 10 2HH1 ARG 10 2.422 5.421 7.843 83 H VAL 11 H VAL 11 -0.807 2.037 4.563 84 HA VAL 11 HA VAL 11 0.340 2.145 1.843 85 HB VAL 11 HB VAL 11 -2.193 1.984 1.716 86 HG11 VAL 11 1HG1 VAL 11 -2.152 4.900 2.600 87 HG12 VAL 11 2HG1 VAL 11 -3.555 3.920 2.145 88 HG13 VAL 11 3HG1 VAL 11 -2.656 3.577 3.640 89 HG21 VAL 11 3HG2 VAL 11 -0.973 4.545 0.577 90 HG22 VAL 11 1HG2 VAL 11 -0.752 2.951 -0.134 91 HG23 VAL 11 2HG2 VAL 11 -2.372 3.658 -0.065 92 H GLU 12 H GLU 12 1.511 4.048 1.447 93 HA GLU 12 HA GLU 12 1.119 6.409 3.098 94 HB2 GLU 12 2HB GLU 12 3.343 6.519 4.108 95 HB3 GLU 12 3HB GLU 12 2.493 5.092 4.677 96 HG2 GLU 12 2HG GLU 12 3.773 3.677 3.106 97 HG3 GLU 12 3HG GLU 12 4.597 5.113 2.475 98 H TYR 13 H TYR 13 2.243 8.224 2.517 99 HA TYR 13 HA TYR 13 3.643 8.329 -0.074 100 HB2 TYR 13 2HB TYR 13 3.357 10.366 2.167 101 HB3 TYR 13 3HB TYR 13 4.063 10.662 0.586 102 HD1 TYR 13 HD1 TYR 13 1.641 8.881 -0.770 103 HD2 TYR 13 HD2 TYR 13 1.909 12.304 1.842 104 HE1 TYR 13 HE1 TYR 13 -0.442 9.808 -1.764 105 HE2 TYR 13 HE2 TYR 13 -0.214 13.188 0.890 106 HH TYR 13 HH TYR 13 -1.843 11.619 -1.881 107 H ALA 14 H ALA 14 5.733 7.879 -0.286 108 HA ALA 14 HA ALA 14 7.265 6.783 1.837 109 HB1 ALA 14 1HB ALA 14 7.990 7.668 -0.983 110 HB2 ALA 14 2HB ALA 14 9.025 6.677 0.057 111 HB3 ALA 14 3HB ALA 14 7.443 6.058 -0.481 112 H LYS 15 H LYS 15 7.969 7.995 3.512 113 HA LYS 15 HA LYS 15 8.935 10.703 3.335 114 HB2 LYS 15 2HB LYS 15 7.916 9.654 5.350 115 HB3 LYS 15 3HB LYS 15 9.305 8.582 5.498 116 HG2 LYS 15 2HG LYS 15 9.443 10.387 7.105 117 HG3 LYS 15 3HG LYS 15 10.778 10.510 5.963 118 HD2 LYS 15 2HD LYS 15 9.604 12.335 4.760 119 HD3 LYS 15 3HD LYS 15 8.202 12.152 5.840 120 HE2 LYS 15 2HE LYS 15 9.650 12.714 7.786 121 HE3 LYS 15 3HE LYS 15 11.035 12.898 6.702 122 HZ1 LYS 15 3HZ LYS 15 10.011 15.042 7.199 123 HZ2 LYS 15 1HZ LYS 15 9.850 14.728 5.606 124 HZ3 LYS 15 2HZ LYS 15 8.569 14.558 6.609 125 H SER 16 H SER 16 10.557 7.610 3.069 126 HA SER 16 HA SER 16 12.854 8.883 1.817 127 HB2 SER 16 2HB SER 16 13.446 8.878 4.272 128 HB3 SER 16 3HB SER 16 13.353 7.114 4.239 129 HG SER 16 HG SER 16 15.126 8.850 2.827 130 H GLY 17 H GLY 17 14.232 7.282 0.724 131 HA2 GLY 17 2HA GLY 17 12.563 5.322 -0.632 132 HA3 GLY 17 3HA GLY 17 14.204 5.798 -1.052 133 H ARG 18 H ARG 18 13.057 4.383 2.033 134 HA ARG 18 HA ARG 18 15.325 2.513 2.013 135 HB2 ARG 18 2HB ARG 18 13.139 2.777 4.111 136 HB3 ARG 18 3HB ARG 18 14.736 2.064 4.312 137 HG2 ARG 18 2HG ARG 18 14.082 5.002 3.902 138 HG3 ARG 18 3HG ARG 18 14.647 4.238 5.382 139 HD2 ARG 18 2HD ARG 18 16.825 3.754 4.353 140 HD3 ARG 18 3HD ARG 18 16.269 4.400 2.807 141 HE ARG 18 HE ARG 18 16.050 6.610 3.785 142 HH11 ARG 18 1HH2 ARG 18 18.010 4.450 5.749 143 HH12 ARG 18 2HH2 ARG 18 18.768 5.779 6.583 144 HH21 ARG 18 1HH1 ARG 18 17.033 8.205 4.861 145 HH22 ARG 18 2HH1 ARG 18 18.228 7.865 6.084 146 H ALA 19 H ALA 19 12.014 2.173 1.143 147 HA ALA 19 HA ALA 19 11.882 -0.684 1.803 148 HB1 ALA 19 1HB ALA 19 9.846 1.165 0.514 149 HB2 ALA 19 2HB ALA 19 9.556 -0.479 1.109 150 HB3 ALA 19 3HB ALA 19 9.974 0.805 2.253 151 H SER 20 H SER 20 11.502 -2.354 0.348 152 HA SER 20 HA SER 20 12.235 -1.899 -2.520 153 HB2 SER 20 2HB SER 20 13.231 -4.157 -0.751 154 HB3 SER 20 3HB SER 20 13.529 -3.974 -2.490 155 HG SER 20 HG SER 20 15.274 -3.191 -1.198 156 H CYS 21 HN CYS 21 11.195 -3.159 -4.025 157 HA CYS 21 HA CYS 21 8.553 -3.990 -3.187 158 HB2 CYS 21 2HB CYS 21 9.137 -2.652 -5.191 159 HB3 CYS 21 3HB CYS 21 9.883 -4.090 -5.906 160 H LYS 22 H LYS 22 7.631 -5.892 -3.155 161 HA LYS 22 HA LYS 22 9.334 -8.339 -3.158 162 HB2 LYS 22 2HB LYS 22 6.565 -7.852 -2.009 163 HB3 LYS 22 3HB LYS 22 7.556 -9.271 -1.705 164 HG2 LYS 22 2HG LYS 22 8.382 -6.457 -0.922 165 HG3 LYS 22 3HG LYS 22 7.408 -7.495 0.104 166 HD2 LYS 22 2HD LYS 22 9.163 -9.214 0.112 167 HD3 LYS 22 3HD LYS 22 10.172 -8.240 -0.983 168 HE2 LYS 22 2HE LYS 22 9.158 -7.209 1.685 169 HE3 LYS 22 3HE LYS 22 10.634 -8.176 1.580 170 HZ1 LYS 22 3HZ LYS 22 10.241 -5.613 0.097 171 HZ2 LYS 22 1HZ LYS 22 11.111 -5.779 1.482 172 HZ3 LYS 22 2HZ LYS 22 11.593 -6.528 0.117 173 H LYS 23 H LYS 23 7.213 -6.887 -5.247 174 HA LYS 23 HA LYS 23 6.270 -9.481 -6.435 175 HB2 LYS 23 2HB LYS 23 4.453 -8.115 -5.595 176 HB3 LYS 23 3HB LYS 23 5.026 -6.720 -6.509 177 HG2 LYS 23 2HG LYS 23 3.073 -7.740 -7.542 178 HG3 LYS 23 3HG LYS 23 4.464 -7.811 -8.621 179 HD2 LYS 23 2HD LYS 23 4.798 -10.207 -8.060 180 HD3 LYS 23 3HD LYS 23 3.455 -10.130 -6.902 181 HE2 LYS 23 2HE LYS 23 1.911 -9.528 -8.738 182 HE3 LYS 23 3HE LYS 23 3.251 -9.566 -9.893 183 HZ1 LYS 23 3HZ LYS 23 3.509 -11.940 -9.420 184 HZ2 LYS 23 1HZ LYS 23 2.290 -11.911 -8.331 185 HZ3 LYS 23 2HZ LYS 23 1.981 -11.645 -9.908 186 H CYS 24 HN CYS 24 7.449 -6.224 -7.426 187 HA CYS 24 HA CYS 24 8.298 -7.475 -9.993 188 HB2 CYS 24 2HB CYS 24 8.104 -5.511 -11.092 189 HB3 CYS 24 3HB CYS 24 6.687 -5.542 -10.053 190 H SER 25 H SER 25 9.686 -6.955 -7.115 191 HA SER 25 HA SER 25 11.778 -6.909 -6.308 192 HB2 SER 25 2HB SER 25 12.526 -8.085 -8.995 193 HB3 SER 25 3HB SER 25 13.478 -8.174 -7.503 194 HG SER 25 HG SER 25 12.198 -10.056 -7.833 195 H GLU 26 H GLU 26 10.964 -4.458 -7.730 196 HA GLU 26 HA GLU 26 13.614 -3.160 -8.210 197 HB2 GLU 26 2HB GLU 26 10.761 -2.320 -8.776 198 HB3 GLU 26 3HB GLU 26 12.132 -1.236 -8.977 199 HG2 GLU 26 2HG GLU 26 11.952 -3.894 -10.449 200 HG3 GLU 26 3HG GLU 26 11.240 -2.405 -11.054 201 H SER 27 H SER 27 13.024 -0.578 -7.346 202 HA SER 27 HA SER 27 12.736 -0.914 -4.389 203 HB2 SER 27 2HB SER 27 15.062 -0.686 -5.115 204 HB3 SER 27 3HB SER 27 14.655 0.920 -5.794 205 HG SER 27 HG SER 27 15.504 0.999 -3.614 206 H ILE 28 H ILE 28 12.068 0.922 -3.213 207 HA ILE 28 HA ILE 28 9.920 2.258 -4.778 208 HB ILE 28 HB ILE 28 9.799 1.465 -1.865 209 HG12 ILE 28 2HG1 ILE 28 8.509 -0.079 -4.150 210 HG13 ILE 28 3HG1 ILE 28 10.032 -0.573 -3.420 211 HG21 ILE 28 1HG2 ILE 28 7.677 2.263 -3.921 212 HG22 ILE 28 2HG2 ILE 28 7.367 1.786 -2.255 213 HG23 ILE 28 3HG2 ILE 28 8.250 3.283 -2.595 214 HD11 ILE 28 3HD1 ILE 28 8.971 -0.784 -1.216 215 HD12 ILE 28 1HD1 ILE 28 7.396 -0.374 -1.929 216 HD13 ILE 28 2HD1 ILE 28 8.244 -1.837 -2.436 217 HA PRO 29 HA PRO 29 12.541 5.629 -3.374 218 HB2 PRO 29 2HB PRO 29 11.921 7.552 -5.199 219 HB3 PRO 29 3HB PRO 29 12.815 6.059 -5.619 220 HG2 PRO 29 2HG PRO 29 9.824 6.562 -5.881 221 HG3 PRO 29 3HG PRO 29 10.950 5.978 -7.150 222 HD2 PRO 29 2HD PRO 29 9.476 4.246 -5.678 223 HD3 PRO 29 3HD PRO 29 11.171 3.868 -6.118 224 H LYS 30 H LYS 30 12.500 7.715 -2.475 225 HA LYS 30 HA LYS 30 10.408 8.558 -0.753 226 HB2 LYS 30 2HB LYS 30 12.847 9.131 -0.645 227 HB3 LYS 30 3HB LYS 30 12.647 10.160 -2.066 228 HG2 LYS 30 2HG LYS 30 11.129 11.646 -0.805 229 HG3 LYS 30 3HG LYS 30 11.170 10.538 0.570 230 HD2 LYS 30 2HD LYS 30 12.629 12.364 1.069 231 HD3 LYS 30 3HD LYS 30 13.646 10.947 0.759 232 HE2 LYS 30 2HE LYS 30 14.084 11.761 -1.547 233 HE3 LYS 30 3HE LYS 30 13.017 13.143 -1.271 234 HZ1 LYS 30 3HZ LYS 30 14.549 13.892 0.472 235 HZ2 LYS 30 1HZ LYS 30 15.536 12.614 0.219 236 HZ3 LYS 30 2HZ LYS 30 15.345 13.743 -0.943 237 H ASP 31 H ASP 31 8.940 10.247 -0.875 238 HA ASP 31 HA ASP 31 7.243 11.421 -1.744 239 HB2 ASP 31 2HB ASP 31 9.168 12.936 -2.145 240 HB3 ASP 31 3HB ASP 31 9.248 12.365 -3.810 241 H SER 32 H SER 32 7.142 8.803 -2.456 242 HA SER 32 HA SER 32 5.350 8.905 -4.806 243 HB2 SER 32 2HB SER 32 7.593 7.945 -5.497 244 HB3 SER 32 3HB SER 32 7.300 6.616 -4.355 245 HG SER 32 HG SER 32 6.594 6.189 -6.548 246 H LEU 33 H LEU 33 3.938 6.846 -4.784 247 HA LEU 33 HA LEU 33 2.940 6.503 -2.008 248 HB2 LEU 33 2HB LEU 33 1.417 7.433 -3.762 249 HB3 LEU 33 3HB LEU 33 1.606 5.936 -4.675 250 HG LEU 33 HG LEU 33 0.649 4.696 -2.669 251 HD11 LEU 33 1HD1 LEU 33 0.956 6.388 -0.901 252 HD12 LEU 33 2HD1 LEU 33 -0.085 7.519 -1.789 253 HD13 LEU 33 3HD1 LEU 33 -0.761 6.035 -1.113 254 HD21 LEU 33 3HD2 LEU 33 -1.140 6.836 -3.880 255 HD22 LEU 33 1HD2 LEU 33 -0.685 5.306 -4.678 256 HD23 LEU 33 2HD2 LEU 33 -1.657 5.275 -3.195 257 H ARG 34 H ARG 34 3.032 4.614 -0.980 258 HA ARG 34 HA ARG 34 3.654 2.091 -2.443 259 HB2 ARG 34 2HB ARG 34 5.361 1.476 -0.914 260 HB3 ARG 34 3HB ARG 34 5.750 3.064 -1.596 261 HG2 ARG 34 2HG ARG 34 5.247 4.191 0.447 262 HG3 ARG 34 3HG ARG 34 4.459 2.755 1.120 263 HD2 ARG 34 2HD ARG 34 6.536 2.883 2.209 264 HD3 ARG 34 3HD ARG 34 6.648 1.554 1.076 265 HE ARG 34 HE ARG 34 7.970 2.994 -0.428 266 HH11 ARG 34 1HH2 ARG 34 7.784 4.234 2.901 267 HH12 ARG 34 2HH2 ARG 34 9.443 4.767 2.819 268 HH21 ARG 34 1HH1 ARG 34 10.047 3.876 -0.422 269 HH22 ARG 34 2HH1 ARG 34 10.552 4.752 0.997 270 H MET 35 H MET 35 3.211 0.179 -1.269 271 HA MET 35 HA MET 35 1.275 0.403 0.946 272 HB2 MET 35 2HB MET 35 0.858 -1.150 -1.636 273 HB3 MET 35 3HB MET 35 -0.008 -1.541 -0.138 274 HG2 MET 35 2HG MET 35 -0.846 0.785 -0.032 275 HG3 MET 35 3HG MET 35 -0.072 1.123 -1.583 276 HE1 MET 35 3HE MET 35 -3.120 -0.191 0.330 277 HE2 MET 35 1HE MET 35 -3.975 -1.237 -0.823 278 HE3 MET 35 2HE MET 35 -2.440 -1.783 -0.095 279 H ALA 36 H ALA 36 1.018 -1.609 2.169 280 HA ALA 36 HA ALA 36 3.218 -3.528 1.905 281 HB1 ALA 36 1HB ALA 36 3.391 -1.347 3.778 282 HB2 ALA 36 2HB ALA 36 3.302 -2.873 4.674 283 HB3 ALA 36 3HB ALA 36 4.557 -2.639 3.456 284 H ILE 37 H ILE 37 3.067 -5.354 3.502 285 HA ILE 37 HA ILE 37 0.272 -5.862 4.418 286 HB ILE 37 HB ILE 37 1.928 -7.275 2.393 287 HG12 ILE 37 2HG1 ILE 37 -1.054 -7.354 2.962 288 HG13 ILE 37 3HG1 ILE 37 -0.278 -6.034 2.082 289 HG21 ILE 37 1HG2 ILE 37 0.318 -8.932 4.355 290 HG22 ILE 37 2HG2 ILE 37 1.036 -9.489 2.812 291 HG23 ILE 37 3HG2 ILE 37 2.088 -8.970 4.117 292 HD11 ILE 37 3HD1 ILE 37 0.503 -7.642 0.358 293 HD12 ILE 37 1HD1 ILE 37 -0.389 -8.934 1.195 294 HD13 ILE 37 2HD1 ILE 37 -1.261 -7.555 0.503 295 H MET 38 H MET 38 0.061 -6.944 6.380 296 HA MET 38 HA MET 38 2.575 -7.363 7.887 297 HB2 MET 38 2HB MET 38 -0.294 -7.816 8.745 298 HB3 MET 38 3HB MET 38 1.113 -7.968 9.783 299 HG2 MET 38 2HG MET 38 0.449 -5.345 8.420 300 HG3 MET 38 3HG MET 38 -0.308 -5.864 9.920 301 HE1 MET 38 3HE MET 38 3.749 -6.353 9.257 302 HE2 MET 38 1HE MET 38 3.042 -5.115 8.186 303 HE3 MET 38 2HE MET 38 4.119 -4.642 9.529 304 H VAL 39 H VAL 39 3.661 -9.158 8.031 305 HA VAL 39 HA VAL 39 2.182 -11.734 8.151 306 HB VAL 39 HB VAL 39 2.932 -11.524 5.838 307 HG11 VAL 39 1HG1 VAL 39 5.779 -11.458 6.915 308 HG12 VAL 39 2HG1 VAL 39 5.270 -11.578 5.217 309 HG13 VAL 39 3HG1 VAL 39 4.927 -10.106 6.137 310 HG21 VAL 39 3HG2 VAL 39 4.550 -13.673 7.216 311 HG22 VAL 39 1HG2 VAL 39 2.798 -13.758 6.887 312 HG23 VAL 39 2HG2 VAL 39 3.953 -13.647 5.552 313 H GLN 40 H GLN 40 3.156 -13.344 9.374 314 HA GLN 40 HA GLN 40 5.034 -12.507 11.454 315 HB2 GLN 40 2HB GLN 40 4.831 -14.941 12.122 316 HB3 GLN 40 3HB GLN 40 3.373 -13.951 12.211 317 HG2 GLN 40 2HG GLN 40 2.501 -14.909 10.136 318 HG3 GLN 40 3HG GLN 40 3.987 -15.820 9.881 319 HE21 GLN 40 2HE2 GLN 40 2.034 -17.495 9.748 320 HE22 GLN 40 1HE2 GLN 40 1.717 -18.323 11.268 321 H SER 41 H SER 41 7.197 -12.704 11.457 322 HA SER 41 HA SER 41 8.398 -13.276 8.900 323 HB2 SER 41 2HB SER 41 8.997 -11.336 10.239 324 HB3 SER 41 3HB SER 41 9.694 -12.390 11.471 325 HG SER 41 HG SER 41 11.020 -11.446 9.527 326 HA PRO 42 HA PRO 42 10.297 -17.193 9.864 327 HB2 PRO 42 2HB PRO 42 11.857 -16.598 7.362 328 HB3 PRO 42 3HB PRO 42 10.999 -18.097 7.820 329 HG2 PRO 42 2HG PRO 42 9.939 -16.390 5.983 330 HG3 PRO 42 3HG PRO 42 8.891 -17.176 7.212 331 HD2 PRO 42 2HD PRO 42 10.065 -14.374 7.274 332 HD3 PRO 42 3HD PRO 42 8.393 -14.917 7.614 333 H MET 43 H MET 43 11.779 -14.082 9.494 334 HA MET 43 HA MET 43 14.472 -15.021 10.399 335 HB2 MET 43 2HB MET 43 13.602 -12.609 8.803 336 HB3 MET 43 3HB MET 43 15.237 -12.832 9.410 337 HG2 MET 43 2HG MET 43 15.773 -14.481 7.944 338 HG3 MET 43 3HG MET 43 14.151 -15.152 7.879 339 HE1 MET 43 3HE MET 43 12.319 -14.575 6.287 340 HE2 MET 43 1HE MET 43 12.208 -13.020 7.128 341 HE3 MET 43 2HE MET 43 12.224 -13.066 5.348 342 H PHE 44 H PHE 44 11.788 -13.020 11.345 343 HA PHE 44 HA PHE 44 13.332 -11.833 13.615 344 HB2 PHE 44 2HB PHE 44 12.825 -10.155 11.934 345 HB3 PHE 44 3HB PHE 44 11.132 -10.614 11.917 346 HD1 PHE 44 HD2 PHE 44 13.801 -9.269 14.197 347 HD2 PHE 44 HD1 PHE 44 9.580 -9.536 13.337 348 HE1 PHE 44 HE2 PHE 44 13.320 -7.658 16.027 349 HE2 PHE 44 HE1 PHE 44 9.107 -7.918 15.160 350 HZ PHE 44 HZ PHE 44 10.975 -6.983 16.513 351 H ASP 45 H ASP 45 12.076 -11.301 15.503 352 HA ASP 45 HA ASP 45 10.377 -13.598 16.244 353 HB2 ASP 45 2HB ASP 45 12.430 -13.063 17.514 354 HB3 ASP 45 3HB ASP 45 11.741 -11.505 17.969 355 H GLY 46 H GLY 46 8.827 -12.202 14.645 356 HA2 GLY 46 2HA GLY 46 6.505 -11.464 15.970 357 HA3 GLY 46 3HA GLY 46 7.441 -9.973 15.837 358 H LYS 47 H LYS 47 5.808 -9.121 14.552 359 HA LYS 47 HA LYS 47 5.260 -10.264 11.867 360 HB2 LYS 47 2HB LYS 47 3.937 -8.059 13.481 361 HB3 LYS 47 3HB LYS 47 3.402 -8.575 11.889 362 HG2 LYS 47 2HG LYS 47 3.647 -10.682 14.068 363 HG3 LYS 47 3HG LYS 47 2.342 -9.519 14.207 364 HD2 LYS 47 2HD LYS 47 2.834 -11.247 11.760 365 HD3 LYS 47 3HD LYS 47 1.750 -11.699 13.068 366 HE2 LYS 47 2HE LYS 47 1.460 -9.165 11.404 367 HE3 LYS 47 3HE LYS 47 0.641 -10.688 11.032 368 HZ1 LYS 47 3HZ LYS 47 0.264 -9.149 13.554 369 HZ2 LYS 47 1HZ LYS 47 -0.783 -9.176 12.319 370 HZ3 LYS 47 2HZ LYS 47 -0.501 -10.543 13.169 371 H VAL 48 H VAL 48 5.737 -9.221 10.007 372 HA VAL 48 HA VAL 48 7.296 -6.689 10.145 373 HB VAL 48 HB VAL 48 8.832 -7.573 8.432 374 HG11 VAL 48 1HG1 VAL 48 8.798 -9.215 11.004 375 HG12 VAL 48 2HG1 VAL 48 10.198 -8.920 9.957 376 HG13 VAL 48 3HG1 VAL 48 9.449 -7.576 10.829 377 HG21 VAL 48 3HG2 VAL 48 7.532 -10.273 8.958 378 HG22 VAL 48 1HG2 VAL 48 7.532 -9.374 7.433 379 HG23 VAL 48 2HG2 VAL 48 9.050 -10.005 8.075 380 HA PRO 49 HA PRO 49 4.709 -5.677 6.680 381 HB2 PRO 49 2HB PRO 49 5.750 -3.293 5.869 382 HB3 PRO 49 3HB PRO 49 4.925 -3.492 7.444 383 HG2 PRO 49 2HG PRO 49 7.906 -3.527 6.884 384 HG3 PRO 49 3HG PRO 49 7.031 -2.645 8.173 385 HD2 PRO 49 2HD PRO 49 8.266 -5.082 8.561 386 HD3 PRO 49 3HD PRO 49 6.804 -4.578 9.462 387 H HIS 50 H HIS 50 4.658 -6.496 4.657 388 HA HIS 50 HA HIS 50 7.137 -6.651 2.982 389 HB2 HIS 50 2HB HIS 50 4.423 -7.999 2.868 390 HB3 HIS 50 3HB HIS 50 5.475 -7.928 1.457 391 HD2 HIS 50 HD2 HIS 50 7.023 -8.404 4.911 392 HE1 HIS 50 HE1 HIS 50 7.369 -12.150 2.907 393 HE2 HIS 50 HE2 HIS 50 8.104 -10.823 4.953 394 H TRP 51 H TRP 51 7.536 -4.634 2.219 395 HA TRP 51 HA TRP 51 5.384 -2.893 1.346 396 HB2 TRP 51 2HB TRP 51 8.381 -2.631 0.997 397 HB3 TRP 51 3HB TRP 51 7.183 -1.378 0.694 398 HD1 TRP 51 HD1 TRP 51 9.205 -2.942 3.430 399 HE1 TRP 51 HE1 TRP 51 8.817 -1.728 5.652 400 HE3 TRP 51 HE3 TRP 51 5.192 -0.027 2.085 401 HZ2 TRP 51 HZ2 TRP 51 6.937 0.145 6.751 402 HZ3 TRP 51 HZ3 TRP 51 4.110 1.452 3.785 403 HH2 TRP 51 HH2 TRP 51 5.003 1.563 6.096 404 H TYR 52 H TYR 52 4.832 -2.311 -0.708 405 HA TYR 52 HA TYR 52 6.392 -3.215 -3.025 406 HB2 TYR 52 2HB TYR 52 3.443 -3.496 -3.351 407 HB3 TYR 52 3HB TYR 52 4.802 -4.297 -4.146 408 HD1 TYR 52 HD1 TYR 52 3.074 -4.330 -0.761 409 HD2 TYR 52 HD2 TYR 52 4.967 -6.529 -3.945 410 HE1 TYR 52 HE1 TYR 52 2.475 -6.486 0.362 411 HE2 TYR 52 HE2 TYR 52 4.322 -8.670 -2.849 412 HH TYR 52 HH TYR 52 2.565 -8.774 0.258 413 H HIS 53 H HIS 53 5.697 -1.980 -4.990 414 HA HIS 53 HA HIS 53 5.067 0.822 -4.566 415 HB2 HIS 53 2HB HIS 53 4.674 -0.827 -7.095 416 HB3 HIS 53 3HB HIS 53 4.722 0.915 -6.986 417 HD2 HIS 53 HD2 HIS 53 7.090 2.074 -6.253 418 HE1 HIS 53 HE1 HIS 53 9.554 -1.149 -7.517 419 HE2 HIS 53 HE2 HIS 53 9.552 1.269 -6.811 420 H PHE 54 H PHE 54 3.034 1.937 -5.177 421 HA PHE 54 HA PHE 54 0.731 0.938 -3.981 422 HB2 PHE 54 2HB PHE 54 0.774 3.230 -4.463 423 HB3 PHE 54 3HB PHE 54 1.154 2.982 -6.162 424 HD1 PHE 54 HD2 PHE 54 -1.616 2.327 -3.663 425 HD2 PHE 54 HD1 PHE 54 -0.544 2.992 -7.794 426 HE1 PHE 54 HE2 PHE 54 -4.010 2.227 -4.312 427 HE2 PHE 54 HE1 PHE 54 -2.943 2.909 -8.424 428 HZ PHE 54 HZ PHE 54 -4.672 2.513 -6.688 429 H SER 55 H SER 55 1.619 0.550 -7.481 430 HA SER 55 HA SER 55 -0.915 -0.709 -8.139 431 HB2 SER 55 2HB SER 55 0.106 -1.023 -10.353 432 HB3 SER 55 3HB SER 55 0.199 0.645 -9.770 433 HG SER 55 HG SER 55 2.225 0.351 -10.366 434 H CYS 56 HN CYS 56 2.360 -1.834 -7.351 435 HA CYS 56 HA CYS 56 2.149 -4.481 -8.152 436 HB2 CYS 56 2HB CYS 56 3.766 -3.129 -5.979 437 HB3 CYS 56 3HB CYS 56 4.022 -4.804 -6.481 438 H PHE 57 H PHE 57 1.092 -3.049 -5.087 439 HA PHE 57 HA PHE 57 0.412 -5.330 -3.556 440 HB2 PHE 57 2HB PHE 57 0.313 -3.051 -2.741 441 HB3 PHE 57 3HB PHE 57 -0.984 -2.652 -3.864 442 HD1 PHE 57 HD1 PHE 57 -3.233 -3.783 -3.636 443 HD2 PHE 57 HD2 PHE 57 -0.164 -4.124 -0.628 444 HE1 PHE 57 HE1 PHE 57 -4.921 -4.584 -2.018 445 HE2 PHE 57 HE2 PHE 57 -1.876 -4.844 1.017 446 HZ PHE 57 HZ PHE 57 -4.253 -5.103 0.319 447 H TRP 58 H TRP 58 -1.504 -3.680 -6.118 448 HA TRP 58 HA TRP 58 -3.673 -5.608 -5.960 449 HB2 TRP 58 2HB TRP 58 -3.159 -3.576 -8.133 450 HB3 TRP 58 3HB TRP 58 -4.679 -4.339 -7.698 451 HD1 TRP 58 HD1 TRP 58 -2.463 -1.456 -6.936 452 HE1 TRP 58 HE1 TRP 58 -3.310 0.010 -5.039 453 HE3 TRP 58 HE3 TRP 58 -6.364 -4.389 -5.345 454 HZ2 TRP 58 HZ2 TRP 58 -5.468 -0.054 -3.066 455 HZ3 TRP 58 HZ3 TRP 58 -7.775 -3.653 -3.472 456 HH2 TRP 58 HH2 TRP 58 -7.307 -1.489 -2.316 457 H LYS 59 H LYS 59 -0.675 -5.462 -7.778 458 HA LYS 59 HA LYS 59 -1.374 -7.501 -9.754 459 HB2 LYS 59 2HB LYS 59 1.329 -6.589 -8.728 460 HB3 LYS 59 3HB LYS 59 1.088 -7.713 -10.061 461 HG2 LYS 59 2HG LYS 59 0.027 -6.054 -11.430 462 HG3 LYS 59 3HG LYS 59 -0.104 -4.933 -10.082 463 HD2 LYS 59 2HD LYS 59 2.634 -5.369 -10.121 464 HD3 LYS 59 3HD LYS 59 2.245 -5.509 -11.841 465 HE2 LYS 59 2HE LYS 59 1.291 -3.307 -11.899 466 HE3 LYS 59 3HE LYS 59 1.098 -3.283 -10.149 467 HZ1 LYS 59 3HZ LYS 59 3.685 -3.035 -11.581 468 HZ2 LYS 59 1HZ LYS 59 2.926 -1.901 -10.653 469 HZ3 LYS 59 2HZ LYS 59 3.547 -3.213 -9.940 470 H VAL 60 H VAL 60 -0.377 -7.577 -6.362 471 HA VAL 60 HA VAL 60 0.094 -10.478 -6.337 472 HB VAL 60 HB VAL 60 -0.503 -8.579 -4.048 473 HG11 VAL 60 1HG1 VAL 60 0.580 -11.426 -3.996 474 HG12 VAL 60 2HG1 VAL 60 0.575 -10.307 -2.615 475 HG13 VAL 60 3HG1 VAL 60 -0.952 -10.864 -3.293 476 HG21 VAL 60 3HG2 VAL 60 2.148 -9.756 -4.979 477 HG22 VAL 60 1HG2 VAL 60 1.630 -8.087 -5.280 478 HG23 VAL 60 2HG2 VAL 60 1.881 -8.635 -3.629 479 H GLY 61 H GLY 61 -2.765 -8.566 -6.551 480 HA2 GLY 61 2HA GLY 61 -4.822 -9.394 -7.185 481 HA3 GLY 61 3HA GLY 61 -4.373 -11.013 -6.657 482 H HIS 62 H HIS 62 -3.954 -8.506 -4.271 483 HA HIS 62 HA HIS 62 -6.098 -9.540 -2.579 484 HB2 HIS 62 2HB HIS 62 -4.207 -7.181 -2.324 485 HB3 HIS 62 3HB HIS 62 -5.455 -7.546 -1.135 486 HD2 HIS 62 HD2 HIS 62 -2.017 -8.677 -2.286 487 HE1 HIS 62 HE1 HIS 62 -3.071 -11.246 0.952 488 HE2 HIS 62 HE2 HIS 62 -1.200 -10.561 -0.629 489 H SER 63 H SER 63 -8.003 -8.626 -2.021 490 HA SER 63 HA SER 63 -8.895 -6.074 -3.286 491 HB2 SER 63 2HB SER 63 -10.534 -8.624 -3.007 492 HB3 SER 63 3HB SER 63 -11.198 -7.028 -3.406 493 HG SER 63 HG SER 63 -10.742 -8.362 -5.263 494 H ILE 64 H ILE 64 -9.738 -4.678 -1.876 495 HA ILE 64 HA ILE 64 -9.630 -5.423 1.025 496 HB ILE 64 HB ILE 64 -9.221 -2.708 -0.265 497 HG12 ILE 64 2HG1 ILE 64 -7.086 -4.763 0.398 498 HG13 ILE 64 3HG1 ILE 64 -7.457 -4.065 -1.170 499 HG21 ILE 64 1HG2 ILE 64 -8.481 -3.781 2.480 500 HG22 ILE 64 2HG2 ILE 64 -8.208 -2.133 1.883 501 HG23 ILE 64 3HG2 ILE 64 -9.858 -2.718 2.127 502 HD11 ILE 64 3HD1 ILE 64 -6.068 -2.762 1.156 503 HD12 ILE 64 1HD1 ILE 64 -5.573 -2.863 -0.533 504 HD13 ILE 64 2HD1 ILE 64 -6.875 -1.766 -0.083 505 H ARG 65 H ARG 65 -11.344 -5.059 2.282 506 HA ARG 65 HA ARG 65 -13.839 -4.426 0.750 507 HB2 ARG 65 2HB ARG 65 -14.905 -6.109 2.354 508 HB3 ARG 65 3HB ARG 65 -13.929 -6.702 1.026 509 HG2 ARG 65 2HG ARG 65 -12.700 -6.343 3.764 510 HG3 ARG 65 3HG ARG 65 -13.678 -7.754 3.419 511 HD2 ARG 65 2HD ARG 65 -12.132 -8.726 2.051 512 HD3 ARG 65 3HD ARG 65 -11.566 -7.198 1.381 513 HE ARG 65 HE ARG 65 -10.749 -7.192 4.077 514 HH11 ARG 65 1HH2 ARG 65 -9.682 -8.625 1.078 515 HH12 ARG 65 2HH2 ARG 65 -8.142 -9.009 1.773 516 HH21 ARG 65 1HH1 ARG 65 -8.885 -7.625 4.779 517 HH22 ARG 65 2HH1 ARG 65 -7.683 -8.520 3.836 518 H HIS 66 H HIS 66 -12.102 -3.542 3.554 519 HA HIS 66 HA HIS 66 -13.944 -1.285 3.813 520 HB2 HIS 66 2HB HIS 66 -14.004 -1.328 6.272 521 HB3 HIS 66 3HB HIS 66 -14.997 -2.514 5.460 522 HD2 HIS 66 HD2 HIS 66 -12.716 -4.885 5.223 523 HE1 HIS 66 HE1 HIS 66 -13.023 -4.844 9.453 524 HE2 HIS 66 HE2 HIS 66 -12.270 -6.196 7.438 525 HA PRO 67 HA PRO 67 -9.443 -0.833 3.441 526 HB2 PRO 67 2HB PRO 67 -9.334 1.365 1.708 527 HB3 PRO 67 3HB PRO 67 -9.545 -0.328 1.184 528 HG2 PRO 67 2HG PRO 67 -11.701 1.735 1.699 529 HG3 PRO 67 3HG PRO 67 -11.511 0.665 0.271 530 HD2 PRO 67 2HD PRO 67 -13.209 0.011 2.239 531 HD3 PRO 67 3HD PRO 67 -12.155 -1.256 1.536 532 H ASP 68 H ASP 68 -11.619 1.808 4.384 533 HA ASP 68 HA ASP 68 -9.516 3.500 5.419 534 HB2 ASP 68 2HB ASP 68 -11.727 4.368 4.804 535 HB3 ASP 68 3HB ASP 68 -12.511 3.300 5.965 536 H VAL 69 H VAL 69 -10.942 0.582 6.535 537 HA VAL 69 HA VAL 69 -10.062 0.933 9.344 538 HB VAL 69 HB VAL 69 -11.571 -1.398 8.114 539 HG11 VAL 69 1HG1 VAL 69 -10.500 -1.915 10.264 540 HG12 VAL 69 2HG1 VAL 69 -11.246 -0.477 11.000 541 HG13 VAL 69 3HG1 VAL 69 -12.252 -1.837 10.449 542 HG21 VAL 69 3HG2 VAL 69 -12.712 1.066 9.495 543 HG22 VAL 69 1HG2 VAL 69 -12.986 0.561 7.809 544 HG23 VAL 69 2HG2 VAL 69 -13.622 -0.419 9.127 545 H GLU 70 H GLU 70 -9.558 -1.072 6.453 546 HA GLU 70 HA GLU 70 -7.612 -2.808 7.833 547 HB2 GLU 70 2HB GLU 70 -8.545 -2.745 4.919 548 HB3 GLU 70 3HB GLU 70 -7.552 -4.010 5.657 549 HG2 GLU 70 2HG GLU 70 -9.389 -4.544 7.227 550 HG3 GLU 70 3HG GLU 70 -10.409 -3.341 6.442 551 H VAL 71 H VAL 71 -7.385 -0.169 5.503 552 HA VAL 71 HA VAL 71 -4.479 -0.664 5.061 553 HB VAL 71 HB VAL 71 -6.145 1.505 3.807 554 HG11 VAL 71 1HG1 VAL 71 -3.492 0.141 3.148 555 HG12 VAL 71 2HG1 VAL 71 -4.253 1.517 2.301 556 HG13 VAL 71 3HG1 VAL 71 -3.648 1.704 3.971 557 HG21 VAL 71 3HG2 VAL 71 -7.079 -0.665 3.128 558 HG22 VAL 71 1HG2 VAL 71 -6.074 -0.035 1.813 559 HG23 VAL 71 2HG2 VAL 71 -5.451 -1.324 2.880 560 H ASP 72 H ASP 72 -3.532 -0.269 6.908 561 HA ASP 72 HA ASP 72 -3.879 2.098 8.530 562 HB2 ASP 72 2HB ASP 72 -3.016 0.050 9.385 563 HB3 ASP 72 3HB ASP 72 -1.701 0.014 8.208 564 H GLY 73 H GLY 73 -2.730 3.993 8.528 565 HA2 GLY 73 2HA GLY 73 -1.232 5.656 7.847 566 HA3 GLY 73 3HA GLY 73 -0.557 4.566 6.637 567 H PHE 74 H PHE 74 -3.760 4.346 6.015 568 HA PHE 74 HA PHE 74 -3.987 6.107 3.779 569 HB2 PHE 74 2HB PHE 74 -5.327 4.073 4.220 570 HB3 PHE 74 3HB PHE 74 -6.029 4.812 5.651 571 HD1 PHE 74 HD1 PHE 74 -6.047 4.729 1.958 572 HD2 PHE 74 HD2 PHE 74 -7.852 6.412 5.498 573 HE1 PHE 74 HE1 PHE 74 -7.995 5.505 0.614 574 HE2 PHE 74 HE2 PHE 74 -9.782 7.194 4.140 575 HZ PHE 74 HZ PHE 74 -9.812 6.791 1.696 576 H SER 75 H SER 75 -4.438 6.725 7.227 577 HA SER 75 HA SER 75 -5.722 9.301 7.060 578 HB2 SER 75 2HB SER 75 -4.702 9.513 9.381 579 HB3 SER 75 3HB SER 75 -5.787 8.129 9.126 580 HG SER 75 HG SER 75 -3.826 7.549 10.211 581 H GLU 76 H GLU 76 -2.418 8.285 6.431 582 HA GLU 76 HA GLU 76 -1.295 10.968 6.875 583 HB2 GLU 76 2HB GLU 76 0.072 8.460 5.823 584 HB3 GLU 76 3HB GLU 76 0.839 9.954 6.348 585 HG2 GLU 76 2HG GLU 76 -0.047 9.595 8.655 586 HG3 GLU 76 3HG GLU 76 -0.752 8.062 8.138 587 H LEU 77 H LEU 77 -2.758 9.304 4.282 588 HA LEU 77 HA LEU 77 -1.507 10.645 2.014 589 HB2 LEU 77 2HB LEU 77 -3.993 8.974 2.483 590 HB3 LEU 77 3HB LEU 77 -3.801 9.828 0.977 591 HG LEU 77 HG LEU 77 -1.915 8.593 0.322 592 HD11 LEU 77 1HD1 LEU 77 -1.880 7.227 3.017 593 HD12 LEU 77 2HD1 LEU 77 -0.906 6.766 1.602 594 HD13 LEU 77 3HD1 LEU 77 -0.642 8.330 2.375 595 HD21 LEU 77 3HD2 LEU 77 -2.846 6.337 0.216 596 HD22 LEU 77 1HD2 LEU 77 -3.947 6.710 1.559 597 HD23 LEU 77 2HD2 LEU 77 -4.117 7.550 0.007 598 H ARG 78 H ARG 78 -2.962 11.983 0.515 599 HA ARG 78 HA ARG 78 -4.821 13.799 2.005 600 HB2 ARG 78 2HB ARG 78 -3.150 14.418 -0.472 601 HB3 ARG 78 3HB ARG 78 -4.392 15.484 0.175 602 HG2 ARG 78 2HG ARG 78 -1.872 14.615 1.641 603 HG3 ARG 78 3HG ARG 78 -2.144 16.184 0.888 604 HD2 ARG 78 2HD ARG 78 -3.913 16.726 2.463 605 HD3 ARG 78 3HD ARG 78 -3.889 15.119 3.168 606 HE ARG 78 HE ARG 78 -1.998 17.285 3.692 607 HH11 ARG 78 1HH2 ARG 78 -2.501 13.815 4.033 608 HH12 ARG 78 2HH2 ARG 78 -1.037 13.602 4.933 609 HH21 ARG 78 1HH1 ARG 78 -0.270 16.965 5.070 610 HH22 ARG 78 2HH1 ARG 78 0.070 15.372 5.680 611 H TRP 79 H TRP 79 -6.467 14.783 0.644 612 HA TRP 79 HA TRP 79 -8.274 12.774 0.600 613 HB2 TRP 79 2HB TRP 79 -9.520 14.573 0.863 614 HB3 TRP 79 3HB TRP 79 -8.311 15.616 0.153 615 HD1 TRP 79 HD1 TRP 79 -11.649 14.053 -0.577 616 HE1 TRP 79 HE1 TRP 79 -12.542 14.891 -2.835 617 HE3 TRP 79 HE3 TRP 79 -7.422 16.356 -2.305 618 HZ2 TRP 79 HZ2 TRP 79 -11.537 16.370 -5.114 619 HZ3 TRP 79 HZ3 TRP 79 -7.406 17.480 -4.511 620 HH2 TRP 79 HH2 TRP 79 -9.458 17.495 -5.930 621 H ASP 80 H ASP 80 -6.666 14.017 -2.336 622 HA ASP 80 HA ASP 80 -8.339 12.678 -4.217 623 HB2 ASP 80 2HB ASP 80 -6.871 14.616 -4.711 624 HB3 ASP 80 3HB ASP 80 -5.453 13.595 -4.485 625 H ASP 81 H ASP 81 -5.511 11.503 -2.411 626 HA ASP 81 HA ASP 81 -5.388 9.036 -4.002 627 HB2 ASP 81 2HB ASP 81 -3.735 9.960 -1.648 628 HB3 ASP 81 3HB ASP 81 -3.630 8.358 -2.396 629 H GLN 82 H GLN 82 -6.618 10.255 -0.888 630 HA GLN 82 HA GLN 82 -7.549 7.713 0.069 631 HB2 GLN 82 2HB GLN 82 -8.535 10.547 0.489 632 HB3 GLN 82 3HB GLN 82 -9.281 9.155 1.272 633 HG2 GLN 82 2HG GLN 82 -7.202 8.548 2.361 634 HG3 GLN 82 3HG GLN 82 -6.311 9.804 1.509 635 HE21 GLN 82 2HE2 GLN 82 -6.198 9.689 4.285 636 HE22 GLN 82 1HE2 GLN 82 -7.035 11.111 4.912 637 H GLN 83 H GLN 83 -8.920 9.968 -2.372 638 HA GLN 83 HA GLN 83 -11.306 8.369 -2.776 639 HB2 GLN 83 2HB GLN 83 -9.989 10.200 -4.817 640 HB3 GLN 83 3HB GLN 83 -11.609 9.535 -4.861 641 HG2 GLN 83 2HG GLN 83 -10.567 11.858 -3.321 642 HG3 GLN 83 3HG GLN 83 -12.044 11.683 -4.222 643 HE21 GLN 83 2HE2 GLN 83 -10.592 11.462 -1.093 644 HE22 GLN 83 1HE2 GLN 83 -12.056 10.977 -0.221 645 H LYS 84 H LYS 84 -8.018 8.257 -4.323 646 HA LYS 84 HA LYS 84 -8.948 6.412 -6.335 647 HB2 LYS 84 2HB LYS 84 -6.952 6.710 -7.372 648 HB3 LYS 84 3HB LYS 84 -7.198 8.254 -6.566 649 HG2 LYS 84 2HG LYS 84 -5.045 8.024 -6.095 650 HG3 LYS 84 3HG LYS 84 -5.640 7.095 -4.712 651 HD2 LYS 84 2HD LYS 84 -5.278 5.010 -5.863 652 HD3 LYS 84 3HD LYS 84 -4.845 5.839 -7.363 653 HE2 LYS 84 2HE LYS 84 -3.287 5.945 -4.744 654 HE3 LYS 84 3HE LYS 84 -2.865 4.987 -6.164 655 HZ1 LYS 84 3HZ LYS 84 -2.816 7.939 -5.910 656 HZ2 LYS 84 1HZ LYS 84 -1.584 6.953 -6.292 657 HZ3 LYS 84 2HZ LYS 84 -2.770 7.199 -7.387 658 H VAL 85 H VAL 85 -7.184 6.130 -3.277 659 HA VAL 85 HA VAL 85 -6.624 3.309 -3.668 660 HB VAL 85 HB VAL 85 -6.676 5.045 -1.176 661 HG11 VAL 85 1HG1 VAL 85 -5.731 2.150 -1.400 662 HG12 VAL 85 2HG1 VAL 85 -5.389 3.236 -0.041 663 HG13 VAL 85 3HG1 VAL 85 -7.054 2.767 -0.374 664 HG21 VAL 85 3HG2 VAL 85 -4.258 4.974 -1.366 665 HG22 VAL 85 1HG2 VAL 85 -4.345 3.822 -2.711 666 HG23 VAL 85 2HG2 VAL 85 -4.907 5.488 -2.931 667 H LYS 86 H LYS 86 -9.351 5.058 -2.078 668 HA LYS 86 HA LYS 86 -10.809 2.632 -1.414 669 HB2 LYS 86 2HB LYS 86 -11.742 5.499 -1.849 670 HB3 LYS 86 3HB LYS 86 -12.797 4.170 -1.353 671 HG2 LYS 86 2HG LYS 86 -11.380 3.793 0.670 672 HG3 LYS 86 3HG LYS 86 -10.347 5.129 0.190 673 HD2 LYS 86 2HD LYS 86 -11.854 5.956 1.863 674 HD3 LYS 86 3HD LYS 86 -12.355 6.663 0.316 675 HE2 LYS 86 2HE LYS 86 -14.113 4.855 0.161 676 HE3 LYS 86 3HE LYS 86 -13.575 4.256 1.741 677 HZ1 LYS 86 3HZ LYS 86 -14.216 6.411 2.694 678 HZ2 LYS 86 1HZ LYS 86 -14.710 6.960 1.234 679 HZ3 LYS 86 2HZ LYS 86 -15.500 5.728 1.954 680 H LYS 87 H LYS 87 -10.950 4.777 -4.306 681 HA LYS 87 HA LYS 87 -12.891 3.230 -5.732 682 HB2 LYS 87 2HB LYS 87 -12.235 5.522 -6.304 683 HB3 LYS 87 3HB LYS 87 -10.641 4.979 -6.823 684 HG2 LYS 87 2HG LYS 87 -13.119 3.784 -8.095 685 HG3 LYS 87 3HG LYS 87 -12.633 5.425 -8.515 686 HD2 LYS 87 2HD LYS 87 -10.430 4.651 -9.287 687 HD3 LYS 87 3HD LYS 87 -10.810 2.999 -8.810 688 HE2 LYS 87 2HE LYS 87 -11.133 3.115 -11.156 689 HE3 LYS 87 3HE LYS 87 -12.723 2.968 -10.407 690 HZ1 LYS 87 3HZ LYS 87 -12.684 4.659 -12.163 691 HZ2 LYS 87 1HZ LYS 87 -13.023 5.370 -10.737 692 HZ3 LYS 87 2HZ LYS 87 -11.529 5.512 -11.392 693 H THR 88 H THR 88 -9.319 2.893 -5.709 694 HA THR 88 HA THR 88 -9.258 0.741 -7.562 695 HB THR 88 HB THR 88 -7.231 1.383 -5.397 696 HG1 THR 88 1HG THR 88 -7.517 3.113 -6.746 697 HG21 THR 88 1HG2 THR 88 -7.056 -0.093 -8.046 698 HG22 THR 88 2HG2 THR 88 -5.668 0.324 -7.010 699 HG23 THR 88 3HG2 THR 88 -6.877 -0.841 -6.444 700 H ALA 89 H ALA 89 -9.779 0.722 -4.035 701 HA ALA 89 HA ALA 89 -9.614 -2.152 -3.734 702 HB1 ALA 89 1HB ALA 89 -10.882 0.048 -2.049 703 HB2 ALA 89 2HB ALA 89 -10.651 -1.630 -1.548 704 HB3 ALA 89 3HB ALA 89 -9.237 -0.601 -1.879 705 H GLU 90 H GLU 90 -12.276 0.199 -4.291 706 HA GLU 90 HA GLU 90 -14.360 -1.775 -4.395 707 HB2 GLU 90 2HB GLU 90 -14.117 1.044 -5.504 708 HB3 GLU 90 3HB GLU 90 -15.583 0.091 -5.687 709 HG2 GLU 90 2HG GLU 90 -14.353 0.698 -2.969 710 HG3 GLU 90 3HG GLU 90 -15.528 1.741 -3.759 711 H ALA 91 H ALA 91 -12.172 -0.505 -6.840 712 HA ALA 91 HA ALA 91 -13.333 -1.826 -9.107 713 HB1 ALA 91 1HB ALA 91 -10.547 -0.666 -8.614 714 HB2 ALA 91 2HB ALA 91 -11.250 -1.039 -10.200 715 HB3 ALA 91 3HB ALA 91 -11.954 0.242 -9.186 716 H GLY 92 H GLY 92 -11.524 -3.130 -6.500 717 HA2 GLY 92 2HA GLY 92 -10.636 -5.215 -6.113 718 HA3 GLY 92 3HA GLY 92 -11.290 -5.765 -7.661 719 H GLY 93 H GLY 93 -9.040 -3.030 -7.351 720 HA2 GLY 93 2HA GLY 93 -6.632 -3.257 -7.583 721 HA3 GLY 93 3HA GLY 93 -6.870 -4.572 -8.734 722 H VAL 94 H VAL 94 -5.405 -2.155 -9.033 723 HA VAL 94 HA VAL 94 -6.818 -0.229 -10.622 724 HB VAL 94 HB VAL 94 -4.928 0.378 -9.279 725 HG11 VAL 94 1HG1 VAL 94 -3.457 -1.584 -9.526 726 HG12 VAL 94 2HG1 VAL 94 -3.158 -1.158 -11.224 727 HG13 VAL 94 3HG1 VAL 94 -2.607 -0.087 -9.922 728 HG21 VAL 94 3HG2 VAL 94 -4.264 0.918 -12.192 729 HG22 VAL 94 1HG2 VAL 94 -5.512 1.771 -11.245 730 HG23 VAL 94 2HG2 VAL 94 -3.809 1.882 -10.779 731 H THR 95 H THR 95 -6.832 0.226 -12.805 732 HA THR 95 HA THR 95 -6.978 -2.070 -14.528 733 HB THR 95 HB THR 95 -7.471 -0.337 -16.295 734 HG1 THR 95 1HG THR 95 -7.718 1.784 -15.558 735 HG21 THR 95 1HG2 THR 95 -9.061 -0.035 -13.704 736 HG22 THR 95 2HG2 THR 95 -9.618 0.360 -15.346 737 HG23 THR 95 3HG2 THR 95 -9.283 -1.322 -14.908 738 H GLY 96 H GLY 96 -4.638 0.624 -14.482 739 HA2 GLY 96 2HA GLY 96 -3.169 -0.589 -16.672 740 HA3 GLY 96 3HA GLY 96 -2.692 0.855 -15.773 741 H LYS 97 H LYS 97 -1.278 -1.684 -16.654 742 HA LYS 97 HA LYS 97 0.047 -2.411 -14.066 743 HB2 LYS 97 2HB LYS 97 -0.985 -4.148 -16.268 744 HB3 LYS 97 3HB LYS 97 0.670 -4.473 -15.815 745 HG2 LYS 97 2HG LYS 97 -0.706 -5.919 -14.539 746 HG3 LYS 97 3HG LYS 97 0.051 -4.758 -13.461 747 HD2 LYS 97 2HD LYS 97 -2.253 -5.232 -12.811 748 HD3 LYS 97 3HD LYS 97 -2.076 -3.530 -13.237 749 HE2 LYS 97 2HE LYS 97 -3.119 -3.885 -15.403 750 HE3 LYS 97 3HE LYS 97 -3.077 -5.642 -15.196 751 HZ1 LYS 97 3HZ LYS 97 -4.668 -3.808 -13.472 752 HZ2 LYS 97 1HZ LYS 97 -5.274 -4.669 -14.725 753 HZ3 LYS 97 2HZ LYS 97 -4.683 -5.444 -13.412 754 H GLY 98 H GLY 98 2.298 -2.942 -14.211 755 HA2 GLY 98 2HA GLY 98 4.059 -2.603 -16.323 756 HA3 GLY 98 3HA GLY 98 3.825 -0.974 -15.688 757 H GLN 99 H GLN 99 6.260 -1.571 -15.534 758 HA GLN 99 HA GLN 99 6.879 -2.289 -12.704 759 HB2 GLN 99 2HB GLN 99 7.476 -4.178 -14.185 760 HB3 GLN 99 3HB GLN 99 8.456 -3.093 -15.180 761 HG2 GLN 99 2HG GLN 99 9.960 -2.677 -13.234 762 HG3 GLN 99 3HG GLN 99 8.944 -3.712 -12.234 763 HE21 GLN 99 2HE2 GLN 99 10.523 -5.387 -11.795 764 HE22 GLN 99 1HE2 GLN 99 11.213 -6.325 -13.106 765 H ASP 100 H ASP 100 8.117 -0.803 -11.686 766 HA ASP 100 HA ASP 100 9.868 1.077 -13.063 767 HB2 ASP 100 2HB ASP 100 7.583 2.102 -13.331 768 HB3 ASP 100 3HB ASP 100 7.401 2.084 -11.577 769 H GLY 101 H GLY 101 11.032 2.460 -11.482 770 HA2 GLY 101 2HA GLY 101 10.949 2.734 -8.840 771 HA3 GLY 101 3HA GLY 101 11.551 1.078 -8.900 772 H ILE 102 H ILE 102 12.996 3.073 -7.662 773 HA ILE 102 HA ILE 102 15.473 2.894 -9.182 774 HB ILE 102 HB ILE 102 14.585 5.020 -9.990 775 HG12 ILE 102 2HG1 ILE 102 16.461 6.509 -9.525 776 HG13 ILE 102 3HG1 ILE 102 16.965 5.524 -8.156 777 HG21 ILE 102 1HG2 ILE 102 14.682 6.023 -7.118 778 HG22 ILE 102 2HG2 ILE 102 14.294 6.975 -8.563 779 HG23 ILE 102 3HG2 ILE 102 13.207 5.682 -8.054 780 HD11 ILE 102 3HD1 ILE 102 18.324 5.113 -10.193 781 HD12 ILE 102 1HD1 ILE 102 17.477 3.641 -9.694 782 HD13 ILE 102 2HD1 ILE 102 16.865 4.598 -11.065 783 H GLY 103 H GLY 103 17.301 2.891 -7.997 784 HA2 GLY 103 2HA GLY 103 17.704 3.383 -5.240 785 HA3 GLY 103 3HA GLY 103 17.166 1.706 -5.433 786 H SER 104 H SER 104 18.980 0.437 -5.327 787 HA SER 104 HA SER 104 21.553 1.228 -6.474 788 HB2 SER 104 2HB SER 104 21.295 -0.164 -4.413 789 HB3 SER 104 3HB SER 104 20.739 -1.503 -5.434 790 HG SER 104 HG SER 104 23.020 -1.553 -5.037 791 H LYS 105 H LYS 105 20.713 1.709 -8.569 792 HA LYS 105 HA LYS 105 20.274 -0.620 -10.405 793 HB2 LYS 105 2HB LYS 105 18.398 0.911 -10.094 794 HB3 LYS 105 3HB LYS 105 19.382 2.282 -10.610 795 HG2 LYS 105 2HG LYS 105 19.484 1.521 -12.856 796 HG3 LYS 105 3HG LYS 105 18.915 -0.102 -12.442 797 HD2 LYS 105 2HD LYS 105 17.184 2.386 -12.108 798 HD3 LYS 105 3HD LYS 105 17.281 1.469 -13.618 799 HE2 LYS 105 2HE LYS 105 16.607 -0.599 -12.416 800 HE3 LYS 105 3HE LYS 105 16.409 0.325 -10.925 801 HZ1 LYS 105 3HZ LYS 105 14.908 0.905 -13.423 802 HZ2 LYS 105 1HZ LYS 105 14.340 -0.040 -12.216 803 HZ3 LYS 105 2HZ LYS 105 14.614 1.545 -11.930 804 H ALA 106 H ALA 106 22.765 1.453 -9.596 805 HA ALA 106 HA ALA 106 23.868 2.233 -12.080 806 HB1 ALA 106 1HB ALA 106 24.598 3.080 -9.883 807 HB2 ALA 106 2HB ALA 106 25.272 1.482 -9.475 808 HB3 ALA 106 3HB ALA 106 25.970 2.435 -10.802 809 H GLU 107 H GLU 107 24.082 -0.898 -10.422 810 HA GLU 107 HA GLU 107 24.492 -2.141 -13.016 811 HB2 GLU 107 2HB GLU 107 26.840 -1.923 -12.163 812 HB3 GLU 107 3HB GLU 107 26.381 -2.813 -10.714 813 HG2 GLU 107 2HG GLU 107 27.514 -4.306 -12.216 814 HG3 GLU 107 3HG GLU 107 25.831 -4.799 -12.128 815 H LYS 108 H LYS 108 23.097 -3.816 -13.166 816 HA LYS 108 HA LYS 108 22.249 -5.417 -10.862 817 HB2 LYS 108 2HB LYS 108 20.829 -3.369 -10.706 818 HB3 LYS 108 3HB LYS 108 20.207 -3.687 -12.331 819 HG2 LYS 108 2HG LYS 108 19.216 -5.806 -11.573 820 HG3 LYS 108 3HG LYS 108 19.976 -5.622 -9.980 821 HD2 LYS 108 2HD LYS 108 18.647 -3.576 -9.569 822 HD3 LYS 108 3HD LYS 108 17.872 -3.749 -11.160 823 HE2 LYS 108 2HE LYS 108 16.920 -5.917 -10.500 824 HE3 LYS 108 3HE LYS 108 17.778 -5.857 -8.954 825 HZ1 LYS 108 3HZ LYS 108 15.468 -5.139 -8.700 826 HZ2 LYS 108 1HZ LYS 108 16.468 -3.884 -8.384 827 HZ3 LYS 108 2HZ LYS 108 15.650 -3.948 -9.805 Start of MODEL 29 1 H1 MET 1 H1 MET 1 9.448 -8.423 24.578 2 H2 MET 1 H2 MET 1 8.915 -8.396 23.029 3 H3 MET 1 H3 MET 1 8.068 -7.625 24.205 4 HA MET 1 HA MET 1 9.861 -6.079 24.574 5 HB2 MET 1 2HB MET 1 11.682 -7.614 23.872 6 HB3 MET 1 3HB MET 1 11.198 -7.416 22.183 7 HG2 MET 1 2HG MET 1 11.658 -4.987 22.337 8 HG3 MET 1 3HG MET 1 12.088 -5.174 24.043 9 HE1 MET 1 1HE MET 1 14.339 -3.870 23.606 10 HE2 MET 1 2HE MET 1 15.506 -4.303 22.337 11 HE3 MET 1 3HE MET 1 13.899 -3.689 21.891 12 H ALA 2 H ALA 2 9.063 -7.055 21.170 13 HA ALA 2 HA ALA 2 8.103 -4.286 20.638 14 HB1 ALA 2 1HB ALA 2 8.568 -6.608 18.736 15 HB2 ALA 2 2HB ALA 2 8.213 -4.926 18.305 16 HB3 ALA 2 3HB ALA 2 9.746 -5.326 19.095 17 H GLU 3 H GLU 3 6.174 -4.593 18.821 18 HA GLU 3 HA GLU 3 3.962 -6.110 20.151 19 HB2 GLU 3 2HB GLU 3 3.895 -3.235 19.157 20 HB3 GLU 3 3HB GLU 3 2.489 -4.170 19.677 21 HG2 GLU 3 2HG GLU 3 3.506 -4.436 21.938 22 HG3 GLU 3 3HG GLU 3 4.866 -3.425 21.437 23 H SER 4 H SER 4 2.181 -6.664 18.850 24 HA SER 4 HA SER 4 2.821 -7.070 15.980 25 HB2 SER 4 2HB SER 4 0.781 -8.368 17.807 26 HB3 SER 4 3HB SER 4 0.903 -8.675 16.064 27 HG SER 4 HG SER 4 2.103 -10.181 17.381 28 H SER 5 H SER 5 1.464 -6.539 14.330 29 HA SER 5 HA SER 5 -0.361 -4.259 14.677 30 HB2 SER 5 2HB SER 5 0.794 -5.762 12.300 31 HB3 SER 5 3HB SER 5 -0.508 -4.591 12.129 32 HG SER 5 HG SER 5 2.024 -4.068 13.331 33 H ASP 6 H ASP 6 -2.531 -4.303 14.524 34 HA ASP 6 HA ASP 6 -3.874 -6.916 14.288 35 HB2 ASP 6 2HB ASP 6 -4.130 -5.437 16.305 36 HB3 ASP 6 3HB ASP 6 -4.976 -4.271 15.289 37 H LYS 7 H LYS 7 -2.929 -5.267 11.941 38 HA LYS 7 HA LYS 7 -5.267 -5.422 10.187 39 HB2 LYS 7 2HB LYS 7 -4.234 -3.277 9.068 40 HB3 LYS 7 3HB LYS 7 -5.474 -3.202 10.304 41 HG2 LYS 7 2HG LYS 7 -3.920 -1.516 10.803 42 HG3 LYS 7 3HG LYS 7 -3.765 -2.747 12.032 43 HD2 LYS 7 2HD LYS 7 -1.756 -3.657 10.739 44 HD3 LYS 7 3HD LYS 7 -1.880 -2.266 9.674 45 HE2 LYS 7 2HE LYS 7 -1.803 -0.807 11.819 46 HE3 LYS 7 3HE LYS 7 -1.370 -2.282 12.692 47 HZ1 LYS 7 3HZ LYS 7 0.616 -2.444 11.252 48 HZ2 LYS 7 1HZ LYS 7 0.216 -0.991 10.524 49 HZ3 LYS 7 2HZ LYS 7 0.596 -1.067 12.099 50 H LEU 8 H LEU 8 -4.617 -5.587 8.016 51 HA LEU 8 HA LEU 8 -2.163 -7.255 7.778 52 HB2 LEU 8 2HB LEU 8 -3.341 -8.612 6.243 53 HB3 LEU 8 3HB LEU 8 -4.189 -8.551 7.775 54 HG LEU 8 HG LEU 8 -5.017 -6.923 5.342 55 HD11 LEU 8 1HD1 LEU 8 -6.041 -9.619 6.337 56 HD12 LEU 8 2HD1 LEU 8 -6.720 -8.687 4.986 57 HD13 LEU 8 3HD1 LEU 8 -5.086 -9.348 4.860 58 HD21 LEU 8 3HD2 LEU 8 -7.288 -7.005 6.479 59 HD22 LEU 8 1HD2 LEU 8 -6.448 -7.565 7.940 60 HD23 LEU 8 2HD2 LEU 8 -6.107 -5.959 7.233 61 H TYR 9 H TYR 9 -3.417 -4.282 6.710 62 HA TYR 9 HA TYR 9 -1.616 -4.330 4.339 63 HB2 TYR 9 2HB TYR 9 -4.354 -3.054 4.348 64 HB3 TYR 9 3HB TYR 9 -3.223 -3.116 3.006 65 HD1 TYR 9 HD1 TYR 9 -2.436 -5.961 2.927 66 HD2 TYR 9 HD2 TYR 9 -6.272 -4.153 3.612 67 HE1 TYR 9 HE1 TYR 9 -3.541 -8.045 2.132 68 HE2 TYR 9 HE2 TYR 9 -7.388 -6.217 2.806 69 HH TYR 9 HH TYR 9 -5.519 -9.107 1.754 70 H ARG 10 H ARG 10 -0.841 -2.325 3.711 71 HA ARG 10 HA ARG 10 -1.044 -0.039 5.591 72 HB2 ARG 10 2HB ARG 10 0.806 -1.291 6.430 73 HB3 ARG 10 3HB ARG 10 1.384 -1.664 4.826 74 HG2 ARG 10 2HG ARG 10 2.901 -0.155 5.884 75 HG3 ARG 10 3HG ARG 10 2.167 0.660 4.511 76 HD2 ARG 10 2HD ARG 10 0.790 2.019 5.923 77 HD3 ARG 10 3HD ARG 10 1.029 0.962 7.317 78 HE ARG 10 HE ARG 10 3.167 2.740 6.144 79 HH11 ARG 10 1HH2 ARG 10 1.583 1.561 9.128 80 HH12 ARG 10 2HH2 ARG 10 2.749 2.431 10.078 81 HH21 ARG 10 1HH1 ARG 10 4.436 3.756 7.387 82 HH22 ARG 10 2HH1 ARG 10 4.338 3.663 9.148 83 H VAL 11 H VAL 11 -0.754 1.966 4.586 84 HA VAL 11 HA VAL 11 0.348 2.153 1.846 85 HB VAL 11 HB VAL 11 -2.170 1.924 1.779 86 HG11 VAL 11 1HG1 VAL 11 -2.189 4.821 2.758 87 HG12 VAL 11 2HG1 VAL 11 -3.581 3.824 2.291 88 HG13 VAL 11 3HG1 VAL 11 -2.650 3.455 3.756 89 HG21 VAL 11 3HG2 VAL 11 -0.771 2.987 -0.066 90 HG22 VAL 11 1HG2 VAL 11 -2.433 3.589 0.016 91 HG23 VAL 11 2HG2 VAL 11 -1.091 4.560 0.657 92 H GLU 12 H GLU 12 1.444 4.068 1.448 93 HA GLU 12 HA GLU 12 1.061 6.453 3.057 94 HB2 GLU 12 2HB GLU 12 3.319 6.518 4.075 95 HB3 GLU 12 3HB GLU 12 2.401 5.162 4.698 96 HG2 GLU 12 2HG GLU 12 3.604 3.633 3.118 97 HG3 GLU 12 3HG GLU 12 4.535 5.011 2.521 98 H TYR 13 H TYR 13 2.266 8.212 2.529 99 HA TYR 13 HA TYR 13 3.638 8.299 -0.060 100 HB2 TYR 13 2HB TYR 13 3.506 10.311 2.210 101 HB3 TYR 13 3HB TYR 13 4.120 10.606 0.588 102 HD1 TYR 13 HD1 TYR 13 1.866 9.089 -0.942 103 HD2 TYR 13 HD2 TYR 13 1.761 11.909 2.316 104 HE1 TYR 13 HE1 TYR 13 -0.267 10.010 -1.814 105 HE2 TYR 13 HE2 TYR 13 -0.424 12.780 1.483 106 HH TYR 13 HH TYR 13 -1.864 11.611 -1.588 107 H ALA 14 H ALA 14 5.667 7.701 -0.339 108 HA ALA 14 HA ALA 14 7.156 6.471 1.744 109 HB1 ALA 14 1HB ALA 14 7.937 7.296 -1.082 110 HB2 ALA 14 2HB ALA 14 8.836 6.154 -0.065 111 HB3 ALA 14 3HB ALA 14 7.187 5.766 -0.606 112 H LYS 15 H LYS 15 8.197 7.468 3.345 113 HA LYS 15 HA LYS 15 9.212 10.209 3.120 114 HB2 LYS 15 2HB LYS 15 9.433 8.220 5.419 115 HB3 LYS 15 3HB LYS 15 9.729 9.947 5.509 116 HG2 LYS 15 2HG LYS 15 7.062 8.557 5.032 117 HG3 LYS 15 3HG LYS 15 7.568 9.423 6.471 118 HD2 LYS 15 2HD LYS 15 7.013 10.668 3.741 119 HD3 LYS 15 3HD LYS 15 5.967 10.721 5.161 120 HE2 LYS 15 2HE LYS 15 7.743 11.939 6.425 121 HE3 LYS 15 3HE LYS 15 8.762 11.936 4.980 122 HZ1 LYS 15 3HZ LYS 15 6.102 13.247 5.188 123 HZ2 LYS 15 1HZ LYS 15 7.538 14.018 5.189 124 HZ3 LYS 15 2HZ LYS 15 7.036 13.241 3.846 125 H SER 16 H SER 16 10.664 7.065 2.871 126 HA SER 16 HA SER 16 13.249 8.236 2.165 127 HB2 SER 16 2HB SER 16 13.248 7.927 4.698 128 HB3 SER 16 3HB SER 16 13.244 6.180 4.390 129 HG SER 16 HG SER 16 15.349 7.328 4.609 130 H GLY 17 H GLY 17 14.502 6.883 0.894 131 HA2 GLY 17 2HA GLY 17 12.951 5.017 -0.680 132 HA3 GLY 17 3HA GLY 17 14.570 5.618 -1.026 133 H ARG 18 H ARG 18 13.604 3.855 1.916 134 HA ARG 18 HA ARG 18 15.794 1.887 1.465 135 HB2 ARG 18 2HB ARG 18 14.144 2.755 3.856 136 HB3 ARG 18 3HB ARG 18 15.026 1.241 3.891 137 HG2 ARG 18 2HG ARG 18 16.290 2.972 4.966 138 HG3 ARG 18 3HG ARG 18 17.162 2.345 3.576 139 HD2 ARG 18 2HD ARG 18 15.479 4.840 3.312 140 HD3 ARG 18 3HD ARG 18 17.059 4.931 4.103 141 HE ARG 18 HE ARG 18 17.512 3.589 1.691 142 HH11 ARG 18 1HH2 ARG 18 16.423 6.810 2.573 143 HH12 ARG 18 2HH2 ARG 18 17.266 7.541 1.226 144 HH21 ARG 18 1HH1 ARG 18 18.412 4.574 -0.074 145 HH22 ARG 18 2HH1 ARG 18 18.274 6.295 -0.279 146 H ALA 19 H ALA 19 12.394 1.884 1.049 147 HA ALA 19 HA ALA 19 12.020 -0.961 1.592 148 HB1 ALA 19 1HB ALA 19 9.728 -0.524 0.814 149 HB2 ALA 19 2HB ALA 19 10.230 0.640 2.053 150 HB3 ALA 19 3HB ALA 19 10.189 1.120 0.339 151 H SER 20 H SER 20 11.699 -2.600 0.130 152 HA SER 20 HA SER 20 12.399 -2.116 -2.741 153 HB2 SER 20 2HB SER 20 13.134 -4.515 -1.034 154 HB3 SER 20 3HB SER 20 13.417 -4.348 -2.777 155 HG SER 20 HG SER 20 15.269 -3.792 -1.514 156 H CYS 21 HN CYS 21 11.208 -3.223 -4.284 157 HA CYS 21 HA CYS 21 8.500 -3.857 -3.385 158 HB2 CYS 21 2HB CYS 21 9.027 -2.430 -5.319 159 HB3 CYS 21 3HB CYS 21 9.747 -3.826 -6.144 160 H LYS 22 H LYS 22 7.820 -5.774 -2.820 161 HA LYS 22 HA LYS 22 9.376 -8.202 -3.244 162 HB2 LYS 22 2HB LYS 22 6.569 -7.863 -2.139 163 HB3 LYS 22 3HB LYS 22 7.579 -9.273 -1.908 164 HG2 LYS 22 2HG LYS 22 8.176 -6.469 -0.874 165 HG3 LYS 22 3HG LYS 22 7.390 -7.714 0.060 166 HD2 LYS 22 2HD LYS 22 10.210 -7.879 -1.081 167 HD3 LYS 22 3HD LYS 22 9.796 -7.448 0.591 168 HE2 LYS 22 2HE LYS 22 8.701 -9.666 0.895 169 HE3 LYS 22 3HE LYS 22 9.176 -10.121 -0.746 170 HZ1 LYS 22 3HZ LYS 22 11.068 -9.459 1.450 171 HZ2 LYS 22 1HZ LYS 22 10.759 -10.959 0.887 172 HZ3 LYS 22 2HZ LYS 22 11.508 -9.872 -0.070 173 H LYS 23 H LYS 23 7.140 -6.684 -5.216 174 HA LYS 23 HA LYS 23 6.125 -9.198 -6.480 175 HB2 LYS 23 2HB LYS 23 4.411 -7.653 -5.833 176 HB3 LYS 23 3HB LYS 23 5.227 -6.318 -6.640 177 HG2 LYS 23 2HG LYS 23 3.256 -7.083 -7.875 178 HG3 LYS 23 3HG LYS 23 4.723 -7.244 -8.833 179 HD2 LYS 23 2HD LYS 23 4.770 -9.681 -8.415 180 HD3 LYS 23 3HD LYS 23 3.366 -9.539 -7.342 181 HE2 LYS 23 2HE LYS 23 2.019 -8.664 -9.221 182 HE3 LYS 23 3HE LYS 23 3.414 -8.790 -10.300 183 HZ1 LYS 23 3HZ LYS 23 3.386 -11.204 -9.945 184 HZ2 LYS 23 1HZ LYS 23 2.101 -11.088 -8.937 185 HZ3 LYS 23 2HZ LYS 23 1.935 -10.712 -10.511 186 H CYS 24 HN CYS 24 7.512 -6.063 -7.606 187 HA CYS 24 HA CYS 24 8.276 -7.455 -10.112 188 HB2 CYS 24 2HB CYS 24 8.303 -5.439 -11.223 189 HB3 CYS 24 3HB CYS 24 6.822 -5.475 -10.272 190 H SER 25 H SER 25 9.763 -6.922 -7.266 191 HA SER 25 HA SER 25 11.852 -7.079 -6.496 192 HB2 SER 25 2HB SER 25 12.597 -8.175 -9.217 193 HB3 SER 25 3HB SER 25 13.514 -8.359 -7.717 194 HG SER 25 HG SER 25 11.811 -9.555 -6.839 195 H GLU 26 H GLU 26 11.095 -4.555 -7.987 196 HA GLU 26 HA GLU 26 13.825 -3.386 -8.315 197 HB2 GLU 26 2HB GLU 26 11.145 -2.131 -8.985 198 HB3 GLU 26 3HB GLU 26 12.755 -1.469 -9.297 199 HG2 GLU 26 2HG GLU 26 13.200 -3.610 -10.665 200 HG3 GLU 26 3HG GLU 26 11.453 -3.853 -10.623 201 H SER 27 H SER 27 13.125 -0.707 -7.505 202 HA SER 27 HA SER 27 12.875 -1.099 -4.553 203 HB2 SER 27 2HB SER 27 15.182 -0.826 -5.245 204 HB3 SER 27 3HB SER 27 14.766 0.756 -5.973 205 HG SER 27 HG SER 27 15.614 0.905 -3.808 206 H ILE 28 H ILE 28 12.200 0.711 -3.353 207 HA ILE 28 HA ILE 28 10.141 2.241 -4.871 208 HB ILE 28 HB ILE 28 9.991 1.364 -1.982 209 HG12 ILE 28 2HG1 ILE 28 8.500 0.131 -4.341 210 HG13 ILE 28 3HG1 ILE 28 9.927 -0.599 -3.611 211 HG21 ILE 28 1HG2 ILE 28 8.688 3.409 -2.566 212 HG22 ILE 28 2HG2 ILE 28 7.914 2.537 -3.901 213 HG23 ILE 28 3HG2 ILE 28 7.626 2.045 -2.226 214 HD11 ILE 28 3HD1 ILE 28 8.014 -1.677 -2.701 215 HD12 ILE 28 1HD1 ILE 28 8.782 -0.722 -1.426 216 HD13 ILE 28 2HD1 ILE 28 7.284 -0.146 -2.199 217 HA PRO 29 HA PRO 29 12.901 5.502 -3.290 218 HB2 PRO 29 2HB PRO 29 12.273 7.499 -5.015 219 HB3 PRO 29 3HB PRO 29 13.188 6.050 -5.540 220 HG2 PRO 29 2HG PRO 29 10.195 6.535 -5.760 221 HG3 PRO 29 3HG PRO 29 11.324 6.036 -7.063 222 HD2 PRO 29 2HD PRO 29 9.836 4.235 -5.676 223 HD3 PRO 29 3HD PRO 29 11.510 3.855 -6.192 224 H LYS 30 H LYS 30 12.649 7.593 -2.229 225 HA LYS 30 HA LYS 30 10.139 8.043 -0.834 226 HB2 LYS 30 2HB LYS 30 11.145 10.061 0.040 227 HB3 LYS 30 3HB LYS 30 12.230 8.683 0.205 228 HG2 LYS 30 2HG LYS 30 13.639 9.452 -1.588 229 HG3 LYS 30 3HG LYS 30 12.452 10.672 -2.080 230 HD2 LYS 30 2HD LYS 30 14.326 11.699 -0.915 231 HD3 LYS 30 3HD LYS 30 12.805 11.940 -0.041 232 HE2 LYS 30 2HE LYS 30 13.408 10.156 1.544 233 HE3 LYS 30 3HE LYS 30 14.915 9.851 0.654 234 HZ1 LYS 30 3HZ LYS 30 14.211 12.391 2.035 235 HZ2 LYS 30 1HZ LYS 30 15.281 11.290 2.582 236 HZ3 LYS 30 2HZ LYS 30 15.603 12.129 1.219 237 H ASP 31 H ASP 31 8.947 10.062 -0.924 238 HA ASP 31 HA ASP 31 7.396 11.274 -1.981 239 HB2 ASP 31 2HB ASP 31 9.394 12.682 -2.431 240 HB3 ASP 31 3HB ASP 31 9.515 11.958 -4.035 241 H SER 32 H SER 32 7.251 8.587 -2.458 242 HA SER 32 HA SER 32 5.742 8.458 -5.014 243 HB2 SER 32 2HB SER 32 6.303 6.154 -5.288 244 HB3 SER 32 3HB SER 32 7.832 7.019 -5.085 245 HG SER 32 HG SER 32 8.176 6.058 -3.242 246 H LEU 33 H LEU 33 3.981 6.753 -4.830 247 HA LEU 33 HA LEU 33 2.848 6.602 -2.078 248 HB2 LEU 33 2HB LEU 33 1.364 7.602 -3.811 249 HB3 LEU 33 3HB LEU 33 1.533 6.138 -4.779 250 HG LEU 33 HG LEU 33 0.485 4.837 -2.873 251 HD11 LEU 33 1HD1 LEU 33 0.859 6.394 -1.005 252 HD12 LEU 33 2HD1 LEU 33 -0.149 7.616 -1.808 253 HD13 LEU 33 3HD1 LEU 33 -0.866 6.100 -1.235 254 HD21 LEU 33 3HD2 LEU 33 -1.798 5.565 -3.395 255 HD22 LEU 33 1HD2 LEU 33 -1.175 7.115 -4.010 256 HD23 LEU 33 2HD2 LEU 33 -0.797 5.596 -4.857 257 H ARG 34 H ARG 34 2.928 4.681 -1.055 258 HA ARG 34 HA ARG 34 3.455 2.185 -2.579 259 HB2 ARG 34 2HB ARG 34 5.294 1.543 -1.197 260 HB3 ARG 34 3HB ARG 34 5.631 3.095 -1.960 261 HG2 ARG 34 2HG ARG 34 5.169 4.265 0.180 262 HG3 ARG 34 3HG ARG 34 4.815 2.704 0.958 263 HD2 ARG 34 2HD ARG 34 7.106 1.917 0.441 264 HD3 ARG 34 3HD ARG 34 7.444 3.449 -0.383 265 HE ARG 34 HE ARG 34 6.656 3.704 2.453 266 HH11 ARG 34 1HH2 ARG 34 9.445 3.477 0.303 267 HH12 ARG 34 2HH2 ARG 34 10.484 4.217 1.499 268 HH21 ARG 34 1HH1 ARG 34 7.977 4.473 3.852 269 HH22 ARG 34 2HH1 ARG 34 9.720 4.556 3.564 270 H MET 35 H MET 35 3.096 0.275 -1.444 271 HA MET 35 HA MET 35 1.286 0.448 0.890 272 HB2 MET 35 2HB MET 35 0.811 -1.088 -1.692 273 HB3 MET 35 3HB MET 35 0.002 -1.501 -0.169 274 HG2 MET 35 2HG MET 35 -0.875 0.805 -0.020 275 HG3 MET 35 3HG MET 35 -0.149 1.175 -1.587 276 HE1 MET 35 3HE MET 35 -3.969 -1.306 -0.764 277 HE2 MET 35 1HE MET 35 -2.394 -1.841 -0.120 278 HE3 MET 35 2HE MET 35 -3.093 -0.286 0.398 279 H ALA 36 H ALA 36 1.102 -1.563 2.078 280 HA ALA 36 HA ALA 36 3.316 -3.456 1.720 281 HB1 ALA 36 1HB ALA 36 4.653 -2.552 3.258 282 HB2 ALA 36 2HB ALA 36 3.452 -1.327 3.680 283 HB3 ALA 36 3HB ALA 36 3.441 -2.906 4.492 284 H ILE 37 H ILE 37 3.161 -5.330 3.184 285 HA ILE 37 HA ILE 37 0.389 -5.850 4.172 286 HB ILE 37 HB ILE 37 2.039 -7.292 2.188 287 HG12 ILE 37 2HG1 ILE 37 -0.896 -7.544 2.942 288 HG13 ILE 37 3HG1 ILE 37 -0.267 -6.190 1.997 289 HG21 ILE 37 1HG2 ILE 37 0.646 -8.951 4.309 290 HG22 ILE 37 2HG2 ILE 37 1.341 -9.526 2.759 291 HG23 ILE 37 3HG2 ILE 37 2.401 -8.869 3.998 292 HD11 ILE 37 3HD1 ILE 37 -0.156 -9.099 1.152 293 HD12 ILE 37 1HD1 ILE 37 -1.255 -7.845 0.541 294 HD13 ILE 37 2HD1 ILE 37 0.484 -7.714 0.238 295 H MET 38 H MET 38 0.156 -6.766 6.118 296 HA MET 38 HA MET 38 2.625 -6.851 7.755 297 HB2 MET 38 2HB MET 38 -0.254 -6.957 8.657 298 HB3 MET 38 3HB MET 38 1.137 -6.661 9.681 299 HG2 MET 38 2HG MET 38 0.496 -4.725 7.433 300 HG3 MET 38 3HG MET 38 -0.459 -4.716 8.890 301 HE1 MET 38 3HE MET 38 3.520 -5.437 9.044 302 HE2 MET 38 1HE MET 38 3.131 -4.596 7.525 303 HE3 MET 38 2HE MET 38 4.054 -3.763 8.809 304 H VAL 39 H VAL 39 3.650 -8.715 7.703 305 HA VAL 39 HA VAL 39 2.079 -11.226 8.213 306 HB VAL 39 HB VAL 39 3.074 -11.217 5.995 307 HG11 VAL 39 1HG1 VAL 39 5.782 -11.119 7.388 308 HG12 VAL 39 2HG1 VAL 39 5.475 -11.406 5.664 309 HG13 VAL 39 3HG1 VAL 39 5.078 -9.834 6.377 310 HG21 VAL 39 3HG2 VAL 39 4.462 -13.263 7.745 311 HG22 VAL 39 1HG2 VAL 39 2.759 -13.346 7.219 312 HG23 VAL 39 2HG2 VAL 39 4.064 -13.384 6.026 313 H GLN 40 H GLN 40 2.853 -12.729 9.672 314 HA GLN 40 HA GLN 40 4.350 -11.668 11.931 315 HB2 GLN 40 2HB GLN 40 4.039 -14.006 12.815 316 HB3 GLN 40 3HB GLN 40 2.572 -13.084 12.479 317 HG2 GLN 40 2HG GLN 40 2.208 -14.310 10.380 318 HG3 GLN 40 3HG GLN 40 3.719 -15.189 10.592 319 HE21 GLN 40 2HE2 GLN 40 1.849 -16.931 10.233 320 HE22 GLN 40 1HE2 GLN 40 1.204 -17.580 11.734 321 H SER 41 H SER 41 6.460 -11.836 12.395 322 HA SER 41 HA SER 41 8.208 -13.157 10.419 323 HB2 SER 41 2HB SER 41 8.563 -10.799 10.850 324 HB3 SER 41 3HB SER 41 8.831 -11.136 12.570 325 HG SER 41 HG SER 41 10.675 -11.055 10.808 326 HA PRO 42 HA PRO 42 9.651 -16.030 13.513 327 HB2 PRO 42 2HB PRO 42 11.444 -17.453 12.046 328 HB3 PRO 42 3HB PRO 42 9.679 -17.579 11.763 329 HG2 PRO 42 2HG PRO 42 11.691 -15.872 10.273 330 HG3 PRO 42 3HG PRO 42 10.443 -16.956 9.580 331 HD2 PRO 42 2HD PRO 42 10.080 -14.228 9.917 332 HD3 PRO 42 3HD PRO 42 8.729 -15.395 10.004 333 H MET 43 H MET 43 11.375 -13.485 11.960 334 HA MET 43 HA MET 43 13.866 -13.852 13.548 335 HB2 MET 43 2HB MET 43 13.196 -12.126 11.178 336 HB3 MET 43 3HB MET 43 14.689 -11.959 12.092 337 HG2 MET 43 2HG MET 43 15.534 -14.024 11.480 338 HG3 MET 43 3HG MET 43 13.954 -14.709 11.104 339 HE1 MET 43 3HE MET 43 12.413 -13.224 9.473 340 HE2 MET 43 1HE MET 43 12.926 -13.273 7.762 341 HE3 MET 43 2HE MET 43 12.873 -14.764 8.732 342 H PHE 44 H PHE 44 11.110 -11.673 13.157 343 HA PHE 44 HA PHE 44 12.144 -9.813 15.248 344 HB2 PHE 44 2HB PHE 44 11.813 -8.777 13.088 345 HB3 PHE 44 3HB PHE 44 10.182 -9.408 12.976 346 HD1 PHE 44 HD2 PHE 44 12.346 -7.067 14.938 347 HD2 PHE 44 HD1 PHE 44 8.327 -8.220 13.879 348 HE1 PHE 44 HE2 PHE 44 11.465 -5.009 16.019 349 HE2 PHE 44 HE1 PHE 44 7.451 -6.158 14.951 350 HZ PHE 44 HZ PHE 44 9.021 -4.547 16.014 351 H ASP 45 H ASP 45 10.715 -9.010 16.803 352 HA ASP 45 HA ASP 45 9.061 -11.114 17.961 353 HB2 ASP 45 2HB ASP 45 10.858 -9.955 19.183 354 HB3 ASP 45 3HB ASP 45 9.990 -8.432 19.041 355 H GLY 46 H GLY 46 7.666 -10.311 15.769 356 HA2 GLY 46 2HA GLY 46 5.079 -9.732 16.531 357 HA3 GLY 46 3HA GLY 46 5.807 -8.146 16.272 358 H LYS 47 H LYS 47 4.563 -7.640 14.530 359 HA LYS 47 HA LYS 47 4.625 -9.323 12.074 360 HB2 LYS 47 2HB LYS 47 2.852 -7.000 12.891 361 HB3 LYS 47 3HB LYS 47 2.716 -7.873 11.372 362 HG2 LYS 47 2HG LYS 47 2.612 -9.556 13.877 363 HG3 LYS 47 3HG LYS 47 1.262 -8.456 13.636 364 HD2 LYS 47 2HD LYS 47 2.197 -10.450 11.572 365 HD3 LYS 47 3HD LYS 47 0.950 -10.811 12.754 366 HE2 LYS 47 2HE LYS 47 0.735 -8.450 10.844 367 HE3 LYS 47 3HE LYS 47 0.244 -10.076 10.369 368 HZ1 LYS 47 3HZ LYS 47 -0.937 -8.558 12.649 369 HZ2 LYS 47 1HZ LYS 47 -1.642 -8.843 11.210 370 HZ3 LYS 47 2HZ LYS 47 -1.339 -10.087 12.219 371 H VAL 48 H VAL 48 5.359 -8.553 10.141 372 HA VAL 48 HA VAL 48 6.872 -5.980 10.151 373 HB VAL 48 HB VAL 48 8.621 -7.032 8.808 374 HG11 VAL 48 1HG1 VAL 48 8.844 -6.854 11.270 375 HG12 VAL 48 2HG1 VAL 48 8.171 -8.489 11.442 376 HG13 VAL 48 3HG1 VAL 48 9.719 -8.242 10.607 377 HG21 VAL 48 3HG2 VAL 48 8.846 -9.474 8.663 378 HG22 VAL 48 1HG2 VAL 48 7.232 -9.682 9.371 379 HG23 VAL 48 2HG2 VAL 48 7.421 -8.914 7.783 380 HA PRO 49 HA PRO 49 4.758 -5.273 6.345 381 HB2 PRO 49 2HB PRO 49 6.055 -3.097 5.343 382 HB3 PRO 49 3HB PRO 49 5.092 -3.027 6.846 383 HG2 PRO 49 2HG PRO 49 8.095 -3.361 6.567 384 HG3 PRO 49 3HG PRO 49 7.200 -2.252 7.651 385 HD2 PRO 49 2HD PRO 49 8.181 -4.684 8.471 386 HD3 PRO 49 3HD PRO 49 6.678 -3.979 9.136 387 H HIS 50 H HIS 50 4.741 -6.310 4.462 388 HA HIS 50 HA HIS 50 7.227 -6.602 2.807 389 HB2 HIS 50 2HB HIS 50 4.498 -7.935 2.789 390 HB3 HIS 50 3HB HIS 50 5.536 -7.954 1.371 391 HD2 HIS 50 HD2 HIS 50 6.940 -8.328 4.942 392 HE1 HIS 50 HE1 HIS 50 7.439 -12.095 3.015 393 HE2 HIS 50 HE2 HIS 50 8.024 -10.736 5.085 394 H TRP 51 H TRP 51 7.614 -4.672 1.883 395 HA TRP 51 HA TRP 51 5.476 -2.862 1.130 396 HB2 TRP 51 2HB TRP 51 8.468 -2.734 0.635 397 HB3 TRP 51 3HB TRP 51 7.311 -1.442 0.333 398 HD1 TRP 51 HD1 TRP 51 9.407 -2.921 3.044 399 HE1 TRP 51 HE1 TRP 51 9.081 -1.634 5.237 400 HE3 TRP 51 HE3 TRP 51 5.369 -0.053 1.712 401 HZ2 TRP 51 HZ2 TRP 51 7.176 0.224 6.349 402 HZ3 TRP 51 HZ3 TRP 51 4.286 1.434 3.395 403 HH2 TRP 51 HH2 TRP 51 5.183 1.565 5.708 404 H TYR 52 H TYR 52 4.837 -2.245 -0.905 405 HA TYR 52 HA TYR 52 6.284 -3.157 -3.273 406 HB2 TYR 52 2HB TYR 52 3.379 -3.536 -3.620 407 HB3 TYR 52 3HB TYR 52 4.776 -4.402 -4.263 408 HD1 TYR 52 HD2 TYR 52 2.914 -4.128 -0.957 409 HD2 TYR 52 HD1 TYR 52 4.957 -6.607 -3.827 410 HE1 TYR 52 HE2 TYR 52 2.278 -6.187 0.337 411 HE2 TYR 52 HE1 TYR 52 4.310 -8.635 -2.546 412 HH TYR 52 HH TYR 52 3.283 -9.456 -0.690 413 H HIS 53 H HIS 53 5.647 -1.904 -5.186 414 HA HIS 53 HA HIS 53 4.990 0.876 -4.752 415 HB2 HIS 53 2HB HIS 53 4.616 -0.758 -7.293 416 HB3 HIS 53 3HB HIS 53 4.631 0.981 -7.180 417 HD2 HIS 53 HD2 HIS 53 7.021 2.163 -6.396 418 HE1 HIS 53 HE1 HIS 53 9.473 -0.959 -7.937 419 HE2 HIS 53 HE2 HIS 53 9.464 1.424 -7.091 420 H PHE 54 H PHE 54 2.960 2.025 -5.295 421 HA PHE 54 HA PHE 54 0.674 1.001 -4.087 422 HB2 PHE 54 2HB PHE 54 0.775 3.313 -4.476 423 HB3 PHE 54 3HB PHE 54 1.054 3.123 -6.199 424 HD1 PHE 54 HD1 PHE 54 -1.629 2.329 -3.614 425 HD2 PHE 54 HD2 PHE 54 -0.717 3.457 -7.684 426 HE1 PHE 54 HE1 PHE 54 -4.049 2.469 -4.133 427 HE2 PHE 54 HE2 PHE 54 -3.146 3.622 -8.170 428 HZ PHE 54 HZ PHE 54 -4.809 3.095 -6.405 429 H SER 55 H SER 55 1.495 0.728 -7.595 430 HA SER 55 HA SER 55 -1.020 -0.538 -8.327 431 HB2 SER 55 2HB SER 55 0.212 -0.906 -10.486 432 HB3 SER 55 3HB SER 55 0.077 0.785 -9.968 433 HG SER 55 HG SER 55 2.213 0.276 -10.652 434 H CYS 56 HN CYS 56 2.318 -1.634 -7.650 435 HA CYS 56 HA CYS 56 2.087 -4.279 -8.381 436 HB2 CYS 56 2HB CYS 56 3.766 -2.926 -6.284 437 HB3 CYS 56 3HB CYS 56 3.946 -4.624 -6.724 438 H PHE 57 H PHE 57 1.088 -2.859 -5.258 439 HA PHE 57 HA PHE 57 0.464 -5.185 -3.770 440 HB2 PHE 57 2HB PHE 57 0.341 -2.925 -2.899 441 HB3 PHE 57 3HB PHE 57 -1.016 -2.543 -3.954 442 HD1 PHE 57 HD2 PHE 57 -3.214 -3.807 -3.665 443 HD2 PHE 57 HD1 PHE 57 -0.017 -4.021 -0.779 444 HE1 PHE 57 HE2 PHE 57 -4.791 -4.718 -1.997 445 HE2 PHE 57 HE1 PHE 57 -1.631 -4.831 0.925 446 HZ PHE 57 HZ PHE 57 -4.012 -5.216 0.312 447 H TRP 58 H TRP 58 -1.574 -3.497 -6.207 448 HA TRP 58 HA TRP 58 -3.708 -5.454 -6.042 449 HB2 TRP 58 2HB TRP 58 -3.265 -3.378 -8.195 450 HB3 TRP 58 3HB TRP 58 -4.762 -4.173 -7.722 451 HD1 TRP 58 HD1 TRP 58 -2.639 -1.217 -7.027 452 HE1 TRP 58 HE1 TRP 58 -3.462 0.171 -5.053 453 HE3 TRP 58 HE3 TRP 58 -6.295 -4.375 -5.314 454 HZ2 TRP 58 HZ2 TRP 58 -5.550 -0.015 -3.016 455 HZ3 TRP 58 HZ3 TRP 58 -7.685 -3.728 -3.377 456 HH2 TRP 58 HH2 TRP 58 -7.304 -1.549 -2.229 457 H LYS 59 H LYS 59 -0.768 -5.230 -7.907 458 HA LYS 59 HA LYS 59 -1.513 -7.235 -9.926 459 HB2 LYS 59 2HB LYS 59 1.148 -6.029 -9.112 460 HB3 LYS 59 3HB LYS 59 0.948 -7.180 -10.425 461 HG2 LYS 59 2HG LYS 59 -0.224 -5.707 -11.790 462 HG3 LYS 59 3HG LYS 59 -0.705 -4.656 -10.460 463 HD2 LYS 59 2HD LYS 59 1.001 -3.667 -11.992 464 HD3 LYS 59 3HD LYS 59 1.397 -3.649 -10.285 465 HE2 LYS 59 2HE LYS 59 2.790 -5.777 -10.718 466 HE3 LYS 59 3HE LYS 59 2.569 -5.436 -12.442 467 HZ1 LYS 59 3HZ LYS 59 3.579 -3.210 -11.972 468 HZ2 LYS 59 1HZ LYS 59 3.862 -3.665 -10.417 469 HZ3 LYS 59 2HZ LYS 59 4.611 -4.433 -11.648 470 H VAL 60 H VAL 60 -0.272 -7.339 -6.630 471 HA VAL 60 HA VAL 60 0.351 -10.216 -6.727 472 HB VAL 60 HB VAL 60 -0.269 -8.420 -4.362 473 HG11 VAL 60 1HG1 VAL 60 0.961 -11.209 -4.432 474 HG12 VAL 60 2HG1 VAL 60 0.890 -10.151 -3.005 475 HG13 VAL 60 3HG1 VAL 60 -0.601 -10.774 -3.713 476 HG21 VAL 60 3HG2 VAL 60 2.436 -9.467 -5.271 477 HG22 VAL 60 1HG2 VAL 60 1.839 -7.848 -5.671 478 HG23 VAL 60 2HG2 VAL 60 2.086 -8.294 -3.989 479 H GLY 61 H GLY 61 -2.563 -8.311 -6.497 480 HA2 GLY 61 2HA GLY 61 -4.654 -9.111 -7.132 481 HA3 GLY 61 3HA GLY 61 -4.172 -10.764 -6.772 482 H HIS 62 H HIS 62 -3.590 -8.460 -4.209 483 HA HIS 62 HA HIS 62 -5.561 -9.721 -2.472 484 HB2 HIS 62 2HB HIS 62 -3.687 -7.369 -2.122 485 HB3 HIS 62 3HB HIS 62 -4.874 -7.826 -0.900 486 HD2 HIS 62 HD2 HIS 62 -1.550 -8.949 -2.392 487 HE1 HIS 62 HE1 HIS 62 -2.428 -11.688 0.757 488 HE2 HIS 62 HE2 HIS 62 -0.664 -10.958 -0.925 489 H SER 63 H SER 63 -7.552 -9.166 -1.993 490 HA SER 63 HA SER 63 -8.768 -6.651 -3.024 491 HB2 SER 63 2HB SER 63 -10.914 -7.723 -2.570 492 HB3 SER 63 3HB SER 63 -9.927 -8.721 -3.651 493 HG SER 63 HG SER 63 -10.852 -10.010 -2.037 494 H ILE 64 H ILE 64 -10.098 -5.414 -1.659 495 HA ILE 64 HA ILE 64 -9.628 -5.592 1.272 496 HB ILE 64 HB ILE 64 -9.218 -3.014 -0.264 497 HG12 ILE 64 2HG1 ILE 64 -7.022 -4.952 0.521 498 HG13 ILE 64 3HG1 ILE 64 -7.415 -4.343 -1.083 499 HG21 ILE 64 1HG2 ILE 64 -8.427 -3.899 2.547 500 HG22 ILE 64 2HG2 ILE 64 -8.186 -2.284 1.871 501 HG23 ILE 64 3HG2 ILE 64 -9.828 -2.883 2.151 502 HD11 ILE 64 3HD1 ILE 64 -6.040 -2.915 1.178 503 HD12 ILE 64 1HD1 ILE 64 -5.556 -3.070 -0.511 504 HD13 ILE 64 2HD1 ILE 64 -6.878 -1.982 -0.086 505 H ARG 65 H ARG 65 -11.442 -5.053 2.389 506 HA ARG 65 HA ARG 65 -13.868 -4.308 0.760 507 HB2 ARG 65 2HB ARG 65 -15.111 -5.801 2.444 508 HB3 ARG 65 3HB ARG 65 -14.273 -6.534 1.100 509 HG2 ARG 65 2HG ARG 65 -12.869 -6.311 3.779 510 HG3 ARG 65 3HG ARG 65 -14.086 -7.548 3.532 511 HD2 ARG 65 2HD ARG 65 -12.757 -8.829 2.253 512 HD3 ARG 65 3HD ARG 65 -12.203 -7.465 1.277 513 HE ARG 65 HE ARG 65 -10.898 -7.219 3.774 514 HH11 ARG 65 1HH2 ARG 65 -10.760 -9.373 0.978 515 HH12 ARG 65 2HH2 ARG 65 -9.055 -9.598 1.203 516 HH21 ARG 65 1HH1 ARG 65 -8.910 -7.640 4.018 517 HH22 ARG 65 2HH1 ARG 65 -7.980 -8.590 2.851 518 H HIS 66 H HIS 66 -12.132 -3.635 3.661 519 HA HIS 66 HA HIS 66 -13.801 -1.223 3.920 520 HB2 HIS 66 2HB HIS 66 -13.874 -1.294 6.358 521 HB3 HIS 66 3HB HIS 66 -14.898 -2.458 5.552 522 HD2 HIS 66 HD2 HIS 66 -12.762 -4.912 5.310 523 HE1 HIS 66 HE1 HIS 66 -12.983 -4.840 9.538 524 HE2 HIS 66 HE2 HIS 66 -12.347 -6.240 7.524 525 HA PRO 67 HA PRO 67 -9.273 -1.003 3.467 526 HB2 PRO 67 2HB PRO 67 -9.162 1.215 1.733 527 HB3 PRO 67 3HB PRO 67 -9.337 -0.480 1.206 528 HG2 PRO 67 2HG PRO 67 -11.530 1.523 1.750 529 HG3 PRO 67 3HG PRO 67 -11.325 0.486 0.295 530 HD2 PRO 67 2HD PRO 67 -13.019 -0.227 2.215 531 HD3 PRO 67 3HD PRO 67 -11.896 -1.467 1.576 532 H ASP 68 H ASP 68 -11.356 1.834 4.285 533 HA ASP 68 HA ASP 68 -9.165 3.296 5.449 534 HB2 ASP 68 2HB ASP 68 -11.011 4.669 6.444 535 HB3 ASP 68 3HB ASP 68 -11.086 4.490 4.698 536 H VAL 69 H VAL 69 -10.644 0.459 6.466 537 HA VAL 69 HA VAL 69 -9.810 0.845 9.288 538 HB VAL 69 HB VAL 69 -11.415 -1.466 8.165 539 HG11 VAL 69 1HG1 VAL 69 -11.019 -0.448 11.008 540 HG12 VAL 69 2HG1 VAL 69 -12.070 -1.799 10.521 541 HG13 VAL 69 3HG1 VAL 69 -10.323 -1.932 10.314 542 HG21 VAL 69 3HG2 VAL 69 -13.422 -0.390 9.168 543 HG22 VAL 69 1HG2 VAL 69 -12.462 1.079 9.474 544 HG23 VAL 69 2HG2 VAL 69 -12.776 0.527 7.810 545 H GLU 70 H GLU 70 -9.426 -1.281 6.453 546 HA GLU 70 HA GLU 70 -7.498 -3.046 7.835 547 HB2 GLU 70 2HB GLU 70 -8.395 -2.937 4.904 548 HB3 GLU 70 3HB GLU 70 -7.451 -4.234 5.639 549 HG2 GLU 70 2HG GLU 70 -9.341 -4.842 7.079 550 HG3 GLU 70 3HG GLU 70 -10.307 -3.538 6.393 551 H VAL 71 H VAL 71 -7.237 -0.396 5.554 552 HA VAL 71 HA VAL 71 -4.324 -0.874 5.124 553 HB VAL 71 HB VAL 71 -6.008 1.294 3.900 554 HG11 VAL 71 1HG1 VAL 71 -3.340 -0.024 3.233 555 HG12 VAL 71 2HG1 VAL 71 -4.124 1.355 2.411 556 HG13 VAL 71 3HG1 VAL 71 -3.519 1.522 4.086 557 HG21 VAL 71 3HG2 VAL 71 -5.259 -1.503 2.907 558 HG22 VAL 71 1HG2 VAL 71 -6.902 -0.899 3.176 559 HG23 VAL 71 2HG2 VAL 71 -5.919 -0.203 1.879 560 H ASP 72 H ASP 72 -3.336 -0.476 6.926 561 HA ASP 72 HA ASP 72 -3.699 1.826 8.638 562 HB2 ASP 72 2HB ASP 72 -2.814 -0.192 9.441 563 HB3 ASP 72 3HB ASP 72 -1.586 -0.287 8.184 564 H GLY 73 H GLY 73 -2.569 3.735 8.682 565 HA2 GLY 73 2HA GLY 73 -1.151 5.470 7.997 566 HA3 GLY 73 3HA GLY 73 -0.512 4.451 6.709 567 H PHE 74 H PHE 74 -3.722 4.135 6.228 568 HA PHE 74 HA PHE 74 -4.103 5.824 4.012 569 HB2 PHE 74 2HB PHE 74 -5.431 3.846 4.579 570 HB3 PHE 74 3HB PHE 74 -6.058 4.640 6.023 571 HD1 PHE 74 HD1 PHE 74 -6.167 4.528 2.319 572 HD2 PHE 74 HD2 PHE 74 -7.885 6.237 5.890 573 HE1 PHE 74 HE1 PHE 74 -8.094 5.370 0.999 574 HE2 PHE 74 HE2 PHE 74 -9.809 7.080 4.559 575 HZ PHE 74 HZ PHE 74 -9.903 6.655 2.116 576 H SER 75 H SER 75 -4.649 6.521 7.446 577 HA SER 75 HA SER 75 -6.002 9.010 7.217 578 HB2 SER 75 2HB SER 75 -4.086 8.071 9.383 579 HB3 SER 75 3HB SER 75 -5.329 9.326 9.550 580 HG SER 75 HG SER 75 -6.919 7.748 9.258 581 H GLU 76 H GLU 76 -2.638 8.300 6.571 582 HA GLU 76 HA GLU 76 -1.754 11.097 6.972 583 HB2 GLU 76 2HB GLU 76 -0.217 8.675 5.979 584 HB3 GLU 76 3HB GLU 76 0.459 10.246 6.380 585 HG2 GLU 76 2HG GLU 76 -0.894 8.336 8.330 586 HG3 GLU 76 3HG GLU 76 0.835 8.614 8.175 587 H LEU 77 H LEU 77 -3.181 9.293 4.454 588 HA LEU 77 HA LEU 77 -1.916 10.636 2.183 589 HB2 LEU 77 2HB LEU 77 -4.490 9.045 2.413 590 HB3 LEU 77 3HB LEU 77 -3.754 9.570 0.908 591 HG LEU 77 HG LEU 77 -2.594 7.538 2.866 592 HD11 LEU 77 1HD1 LEU 77 -4.548 6.722 1.635 593 HD12 LEU 77 2HD1 LEU 77 -3.868 7.300 0.101 594 HD13 LEU 77 3HD1 LEU 77 -3.084 5.977 0.966 595 HD21 LEU 77 3HD2 LEU 77 -1.565 8.430 0.143 596 HD22 LEU 77 1HD2 LEU 77 -0.773 8.740 1.705 597 HD23 LEU 77 2HD2 LEU 77 -0.927 7.083 1.113 598 H ARG 78 H ARG 78 -2.928 12.152 0.785 599 HA ARG 78 HA ARG 78 -4.895 13.994 2.002 600 HB2 ARG 78 2HB ARG 78 -3.393 13.950 -0.651 601 HB3 ARG 78 3HB ARG 78 -4.731 15.052 -0.400 602 HG2 ARG 78 2HG ARG 78 -2.291 14.957 1.424 603 HG3 ARG 78 3HG ARG 78 -2.488 16.054 0.050 604 HD2 ARG 78 2HD ARG 78 -4.599 16.944 1.096 605 HD3 ARG 78 3HD ARG 78 -4.321 15.917 2.489 606 HE ARG 78 HE ARG 78 -2.594 17.284 3.233 607 HH11 ARG 78 1HH2 ARG 78 -3.529 18.442 0.053 608 HH12 ARG 78 2HH2 ARG 78 -2.624 19.920 0.234 609 HH21 ARG 78 1HH1 ARG 78 -1.468 19.183 3.385 610 HH22 ARG 78 2HH1 ARG 78 -1.491 20.320 2.070 611 H TRP 79 H TRP 79 -6.809 14.630 0.885 612 HA TRP 79 HA TRP 79 -8.633 12.577 0.787 613 HB2 TRP 79 2HB TRP 79 -9.745 14.485 1.124 614 HB3 TRP 79 3HB TRP 79 -8.619 15.446 0.190 615 HD1 TRP 79 HD1 TRP 79 -11.910 13.562 -0.199 616 HE1 TRP 79 HE1 TRP 79 -12.981 14.182 -2.454 617 HE3 TRP 79 HE3 TRP 79 -8.047 16.224 -2.200 618 HZ2 TRP 79 HZ2 TRP 79 -12.262 15.705 -4.814 619 HZ3 TRP 79 HZ3 TRP 79 -8.230 17.222 -4.470 620 HH2 TRP 79 HH2 TRP 79 -10.335 16.975 -5.783 621 H ASP 80 H ASP 80 -6.884 13.899 -2.038 622 HA ASP 80 HA ASP 80 -8.458 12.503 -3.966 623 HB2 ASP 80 2HB ASP 80 -7.110 14.547 -4.412 624 HB3 ASP 80 3HB ASP 80 -5.646 13.564 -4.305 625 H ASP 81 H ASP 81 -5.675 11.444 -2.081 626 HA ASP 81 HA ASP 81 -5.313 8.992 -3.708 627 HB2 ASP 81 2HB ASP 81 -3.821 10.164 -1.348 628 HB3 ASP 81 3HB ASP 81 -3.590 8.499 -1.896 629 H GLN 82 H GLN 82 -6.679 10.093 -0.576 630 HA GLN 82 HA GLN 82 -7.428 7.512 0.371 631 HB2 GLN 82 2HB GLN 82 -8.636 10.278 0.738 632 HB3 GLN 82 3HB GLN 82 -9.331 8.844 1.495 633 HG2 GLN 82 2HG GLN 82 -7.144 8.333 2.553 634 HG3 GLN 82 3HG GLN 82 -6.478 9.820 1.865 635 HE21 GLN 82 2HE2 GLN 82 -6.435 9.330 4.629 636 HE22 GLN 82 1HE2 GLN 82 -7.506 10.515 5.387 637 H GLN 83 H GLN 83 -9.345 9.800 -1.700 638 HA GLN 83 HA GLN 83 -11.443 7.894 -2.078 639 HB2 GLN 83 2HB GLN 83 -12.386 9.371 -3.646 640 HB3 GLN 83 3HB GLN 83 -11.675 10.346 -2.361 641 HG2 GLN 83 2HG GLN 83 -9.691 10.740 -3.865 642 HG3 GLN 83 3HG GLN 83 -10.529 9.894 -5.159 643 HE21 GLN 83 2HE2 GLN 83 -9.766 12.505 -5.747 644 HE22 GLN 83 1HE2 GLN 83 -11.183 13.531 -5.651 645 H LYS 84 H LYS 84 -8.328 8.149 -3.748 646 HA LYS 84 HA LYS 84 -9.190 6.477 -5.998 647 HB2 LYS 84 2HB LYS 84 -7.657 8.311 -6.389 648 HB3 LYS 84 3HB LYS 84 -6.537 7.690 -5.179 649 HG2 LYS 84 2HG LYS 84 -7.086 5.619 -7.182 650 HG3 LYS 84 3HG LYS 84 -6.634 7.108 -7.986 651 HD2 LYS 84 2HD LYS 84 -5.044 6.079 -5.609 652 HD3 LYS 84 3HD LYS 84 -4.762 5.453 -7.247 653 HE2 LYS 84 2HE LYS 84 -4.219 7.605 -8.132 654 HE3 LYS 84 3HE LYS 84 -4.775 8.447 -6.683 655 HZ1 LYS 84 3HZ LYS 84 -2.525 6.553 -6.479 656 HZ2 LYS 84 1HZ LYS 84 -2.277 8.091 -6.992 657 HZ3 LYS 84 2HZ LYS 84 -2.895 7.863 -5.521 658 H VAL 85 H VAL 85 -7.263 6.084 -2.979 659 HA VAL 85 HA VAL 85 -6.676 3.278 -3.477 660 HB VAL 85 HB VAL 85 -6.830 4.883 -0.901 661 HG11 VAL 85 1HG1 VAL 85 -5.608 2.991 0.183 662 HG12 VAL 85 2HG1 VAL 85 -7.256 2.551 -0.260 663 HG13 VAL 85 3HG1 VAL 85 -5.890 1.996 -1.255 664 HG21 VAL 85 3HG2 VAL 85 -4.401 3.669 -2.283 665 HG22 VAL 85 1HG2 VAL 85 -4.926 5.338 -2.554 666 HG23 VAL 85 2HG2 VAL 85 -4.429 4.821 -0.939 667 H LYS 86 H LYS 86 -9.414 4.909 -1.756 668 HA LYS 86 HA LYS 86 -10.837 2.445 -1.249 669 HB2 LYS 86 2HB LYS 86 -11.818 5.327 -1.396 670 HB3 LYS 86 3HB LYS 86 -12.822 3.941 -0.942 671 HG2 LYS 86 2HG LYS 86 -11.102 3.403 0.862 672 HG3 LYS 86 3HG LYS 86 -10.314 4.909 0.492 673 HD2 LYS 86 2HD LYS 86 -11.726 5.088 2.479 674 HD3 LYS 86 3HD LYS 86 -12.219 6.195 1.206 675 HE2 LYS 86 2HE LYS 86 -14.132 5.286 2.354 676 HE3 LYS 86 3HE LYS 86 -14.137 4.784 0.654 677 HZ1 LYS 86 3HZ LYS 86 -13.408 3.120 3.013 678 HZ2 LYS 86 1HZ LYS 86 -14.751 2.981 2.116 679 HZ3 LYS 86 2HZ LYS 86 -13.318 2.600 1.438 680 H LYS 87 H LYS 87 -11.052 4.711 -4.041 681 HA LYS 87 HA LYS 87 -13.052 3.170 -5.433 682 HB2 LYS 87 2HB LYS 87 -12.544 5.485 -5.972 683 HB3 LYS 87 3HB LYS 87 -10.925 5.061 -6.530 684 HG2 LYS 87 2HG LYS 87 -13.351 3.762 -7.807 685 HG3 LYS 87 3HG LYS 87 -12.964 5.440 -8.182 686 HD2 LYS 87 2HD LYS 87 -10.714 4.807 -8.964 687 HD3 LYS 87 3HD LYS 87 -11.064 3.097 -8.639 688 HE2 LYS 87 2HE LYS 87 -12.971 3.167 -10.208 689 HE3 LYS 87 3HE LYS 87 -12.670 4.880 -10.518 690 HZ1 LYS 87 3HZ LYS 87 -10.501 4.273 -11.441 691 HZ2 LYS 87 1HZ LYS 87 -10.770 2.683 -11.156 692 HZ3 LYS 87 2HZ LYS 87 -11.684 3.488 -12.241 693 H THR 88 H THR 88 -9.485 2.947 -5.510 694 HA THR 88 HA THR 88 -9.347 0.905 -7.472 695 HB THR 88 HB THR 88 -7.337 1.633 -5.312 696 HG1 THR 88 1HG THR 88 -7.717 3.314 -6.633 697 HG21 THR 88 1HG2 THR 88 -7.058 0.127 -7.940 698 HG22 THR 88 2HG2 THR 88 -5.717 0.636 -6.887 699 HG23 THR 88 3HG2 THR 88 -6.865 -0.592 -6.331 700 H ALA 89 H ALA 89 -9.822 0.682 -3.940 701 HA ALA 89 HA ALA 89 -9.548 -2.189 -3.781 702 HB1 ALA 89 1HB ALA 89 -10.987 -0.168 -2.009 703 HB2 ALA 89 2HB ALA 89 -10.608 -1.844 -1.583 704 HB3 ALA 89 3HB ALA 89 -9.293 -0.676 -1.844 705 H GLU 90 H GLU 90 -12.311 0.060 -4.268 706 HA GLU 90 HA GLU 90 -14.282 -2.025 -4.458 707 HB2 GLU 90 2HB GLU 90 -14.230 0.878 -5.354 708 HB3 GLU 90 3HB GLU 90 -15.637 -0.149 -5.599 709 HG2 GLU 90 2HG GLU 90 -14.407 0.332 -2.852 710 HG3 GLU 90 3HG GLU 90 -15.670 1.339 -3.545 711 H ALA 91 H ALA 91 -12.236 -0.450 -6.856 712 HA ALA 91 HA ALA 91 -13.403 -1.698 -9.179 713 HB1 ALA 91 1HB ALA 91 -10.762 -0.240 -8.702 714 HB2 ALA 91 2HB ALA 91 -11.458 -0.618 -10.295 715 HB3 ALA 91 3HB ALA 91 -12.291 0.503 -9.197 716 H GLY 92 H GLY 92 -11.227 -2.920 -6.805 717 HA2 GLY 92 2HA GLY 92 -10.203 -4.977 -6.618 718 HA3 GLY 92 3HA GLY 92 -10.832 -5.441 -8.202 719 H GLY 93 H GLY 93 -8.841 -2.528 -7.755 720 HA2 GLY 93 2HA GLY 93 -6.434 -2.536 -7.880 721 HA3 GLY 93 3HA GLY 93 -6.491 -3.856 -9.046 722 H VAL 94 H VAL 94 -5.186 -1.325 -9.199 723 HA VAL 94 HA VAL 94 -6.005 -0.609 -11.928 724 HB VAL 94 HB VAL 94 -7.092 1.009 -10.203 725 HG11 VAL 94 1HG1 VAL 94 -5.813 2.891 -9.461 726 HG12 VAL 94 2HG1 VAL 94 -4.962 1.443 -8.903 727 HG13 VAL 94 3HG1 VAL 94 -4.354 2.342 -10.305 728 HG21 VAL 94 3HG2 VAL 94 -5.496 2.206 -12.494 729 HG22 VAL 94 1HG2 VAL 94 -7.058 1.364 -12.642 730 HG23 VAL 94 2HG2 VAL 94 -6.942 2.870 -11.719 731 H THR 95 H THR 95 -4.349 0.449 -13.152 732 HA THR 95 HA THR 95 -1.603 0.514 -12.008 733 HB THR 95 HB THR 95 -0.717 -0.429 -14.132 734 HG1 THR 95 1HG THR 95 -2.504 -0.128 -15.484 735 HG21 THR 95 1HG2 THR 95 -1.191 -2.766 -13.648 736 HG22 THR 95 2HG2 THR 95 -1.035 -1.880 -12.121 737 HG23 THR 95 3HG2 THR 95 -2.643 -2.330 -12.721 738 H GLY 96 H GLY 96 -0.192 2.059 -12.962 739 HA2 GLY 96 2HA GLY 96 -0.808 3.782 -15.134 740 HA3 GLY 96 3HA GLY 96 -1.492 4.489 -13.671 741 H LYS 97 H LYS 97 -0.084 6.261 -14.060 742 HA LYS 97 HA LYS 97 2.758 6.146 -14.194 743 HB2 LYS 97 2HB LYS 97 1.249 8.033 -14.934 744 HB3 LYS 97 3HB LYS 97 0.952 8.412 -13.245 745 HG2 LYS 97 2HG LYS 97 2.554 9.967 -14.147 746 HG3 LYS 97 3HG LYS 97 3.326 8.991 -12.919 747 HD2 LYS 97 2HD LYS 97 4.840 9.337 -14.800 748 HD3 LYS 97 3HD LYS 97 4.452 7.634 -14.651 749 HE2 LYS 97 2HE LYS 97 4.445 8.181 -16.979 750 HE3 LYS 97 3HE LYS 97 2.778 7.858 -16.503 751 HZ1 LYS 97 3HZ LYS 97 2.969 9.856 -17.887 752 HZ2 LYS 97 1HZ LYS 97 2.417 10.279 -16.414 753 HZ3 LYS 97 2HZ LYS 97 3.975 10.567 -16.822 754 H GLY 98 H GLY 98 4.377 6.525 -12.718 755 HA2 GLY 98 2HA GLY 98 4.007 7.237 -9.963 756 HA3 GLY 98 3HA GLY 98 4.329 5.506 -10.116 757 H GLN 99 H GLN 99 6.168 6.516 -8.721 758 HA GLN 99 HA GLN 99 8.399 7.735 -10.182 759 HB2 GLN 99 2HB GLN 99 8.249 6.532 -7.401 760 HB3 GLN 99 3HB GLN 99 9.601 7.469 -8.033 761 HG2 GLN 99 2HG GLN 99 6.802 8.589 -7.582 762 HG3 GLN 99 3HG GLN 99 8.154 8.706 -6.468 763 HE21 GLN 99 2HE2 GLN 99 7.640 11.036 -6.634 764 HE22 GLN 99 1HE2 GLN 99 8.407 11.937 -7.945 765 H ASP 100 H ASP 100 10.602 6.742 -10.015 766 HA ASP 100 HA ASP 100 10.632 3.793 -10.515 767 HB2 ASP 100 2HB ASP 100 10.608 4.979 -12.653 768 HB3 ASP 100 3HB ASP 100 11.944 6.007 -12.132 769 H GLY 101 H GLY 101 12.408 2.669 -9.751 770 HA2 GLY 101 2HA GLY 101 14.864 3.924 -8.912 771 HA3 GLY 101 3HA GLY 101 13.854 3.525 -7.522 772 H ILE 102 H ILE 102 16.477 2.487 -8.392 773 HA ILE 102 HA ILE 102 15.975 -0.355 -7.964 774 HB ILE 102 HB ILE 102 15.900 -0.067 -10.449 775 HG12 ILE 102 2HG1 ILE 102 17.475 -1.819 -11.100 776 HG13 ILE 102 3HG1 ILE 102 18.307 -1.700 -9.556 777 HG21 ILE 102 1HG2 ILE 102 17.890 0.468 -11.736 778 HG22 ILE 102 2HG2 ILE 102 17.505 1.818 -10.665 779 HG23 ILE 102 3HG2 ILE 102 18.840 0.715 -10.261 780 HD11 ILE 102 3HD1 ILE 102 16.722 -3.616 -9.685 781 HD12 ILE 102 1HD1 ILE 102 16.276 -2.504 -8.385 782 HD13 ILE 102 2HD1 ILE 102 15.380 -2.482 -9.923 783 H GLY 103 H GLY 103 17.895 -1.497 -7.216 784 HA2 GLY 103 2HA GLY 103 19.695 0.075 -5.600 785 HA3 GLY 103 3HA GLY 103 19.792 -1.659 -5.891 786 H SER 104 H SER 104 21.905 0.473 -5.833 787 HA SER 104 HA SER 104 22.817 1.116 -8.445 788 HB2 SER 104 2HB SER 104 24.921 1.745 -7.287 789 HB3 SER 104 3HB SER 104 23.468 2.398 -6.513 790 HG SER 104 HG SER 104 24.941 1.479 -4.992 791 H LYS 105 H LYS 105 23.146 -1.872 -6.750 792 HA LYS 105 HA LYS 105 25.477 -2.929 -8.077 793 HB2 LYS 105 2HB LYS 105 24.445 -3.717 -5.925 794 HB3 LYS 105 3HB LYS 105 23.112 -4.417 -6.853 795 HG2 LYS 105 2HG LYS 105 24.675 -5.950 -7.983 796 HG3 LYS 105 3HG LYS 105 26.054 -5.155 -7.195 797 HD2 LYS 105 2HD LYS 105 25.197 -5.886 -4.974 798 HD3 LYS 105 3HD LYS 105 23.789 -6.610 -5.759 799 HE2 LYS 105 2HE LYS 105 25.308 -8.384 -5.272 800 HE3 LYS 105 3HE LYS 105 25.292 -8.154 -7.022 801 HZ1 LYS 105 3HZ LYS 105 27.397 -6.936 -6.808 802 HZ2 LYS 105 1HZ LYS 105 27.389 -7.113 -5.182 803 HZ3 LYS 105 2HZ LYS 105 27.553 -8.415 -6.147 804 H ALA 106 H ALA 106 22.237 -2.452 -9.236 805 HA ALA 106 HA ALA 106 22.310 -4.512 -11.287 806 HB1 ALA 106 1HB ALA 106 20.114 -3.636 -11.882 807 HB2 ALA 106 2HB ALA 106 20.234 -3.819 -10.123 808 HB3 ALA 106 3HB ALA 106 20.375 -2.206 -10.863 809 H GLU 107 H GLU 107 24.603 -3.177 -11.691 810 HA GLU 107 HA GLU 107 24.298 -1.162 -13.811 811 HB2 GLU 107 2HB GLU 107 26.033 -0.954 -12.069 812 HB3 GLU 107 3HB GLU 107 26.785 -2.453 -12.629 813 HG2 GLU 107 2HG GLU 107 27.277 -1.417 -14.812 814 HG3 GLU 107 3HG GLU 107 26.407 0.044 -14.339 815 H LYS 108 H LYS 108 24.650 -1.431 -15.931 816 HA LYS 108 HA LYS 108 24.525 -2.392 -17.957 817 HB2 LYS 108 2HB LYS 108 26.969 -2.260 -17.416 818 HB3 LYS 108 3HB LYS 108 26.931 -3.961 -16.979 819 HG2 LYS 108 2HG LYS 108 27.829 -3.706 -19.199 820 HG3 LYS 108 3HG LYS 108 26.278 -4.534 -19.327 821 HD2 LYS 108 2HD LYS 108 25.191 -2.444 -20.068 822 HD3 LYS 108 3HD LYS 108 26.713 -1.553 -19.830 823 HE2 LYS 108 2HE LYS 108 27.810 -2.997 -21.528 824 HE3 LYS 108 3HE LYS 108 26.300 -3.890 -21.752 825 HZ1 LYS 108 3HZ LYS 108 26.667 -0.996 -22.325 826 HZ2 LYS 108 1HZ LYS 108 26.575 -2.176 -23.448 827 HZ3 LYS 108 2HZ LYS 108 25.271 -1.821 -22.534 Start of MODEL 30 1 H1 MET 1 H1 MET 1 1.125 -2.728 26.309 2 H2 MET 1 H2 MET 1 0.574 -3.460 24.947 3 H3 MET 1 H3 MET 1 -0.352 -2.356 25.714 4 HA MET 1 HA MET 1 1.194 -0.589 25.203 5 HB2 MET 1 2HB MET 1 2.690 -2.788 23.703 6 HB3 MET 1 3HB MET 1 2.987 -1.058 23.512 7 HG2 MET 1 2HG MET 1 3.559 -0.881 25.918 8 HG3 MET 1 3HG MET 1 3.347 -2.630 26.088 9 HE1 MET 1 1HE MET 1 5.957 -1.081 27.013 10 HE2 MET 1 2HE MET 1 5.740 -2.839 27.173 11 HE3 MET 1 3HE MET 1 7.220 -2.189 26.434 12 H ALA 2 H ALA 2 0.986 0.652 23.238 13 HA ALA 2 HA ALA 2 -1.318 -0.055 21.620 14 HB1 ALA 2 1HB ALA 2 -0.842 2.257 22.323 15 HB2 ALA 2 2HB ALA 2 0.674 2.238 21.391 16 HB3 ALA 2 3HB ALA 2 -0.888 2.120 20.556 17 H GLU 3 H GLU 3 -1.363 -0.233 19.300 18 HA GLU 3 HA GLU 3 1.105 -1.024 17.888 19 HB2 GLU 3 2HB GLU 3 0.325 -3.064 19.063 20 HB3 GLU 3 3HB GLU 3 -1.260 -2.899 18.316 21 HG2 GLU 3 2HG GLU 3 0.088 -4.631 17.241 22 HG3 GLU 3 3HG GLU 3 -0.325 -3.350 16.110 23 H SER 4 H SER 4 0.981 -0.938 15.692 24 HA SER 4 HA SER 4 -1.511 0.095 14.377 25 HB2 SER 4 2HB SER 4 1.298 1.189 13.976 26 HB3 SER 4 3HB SER 4 -0.169 1.712 13.129 27 HG SER 4 HG SER 4 0.361 3.099 14.881 28 H SER 5 H SER 5 1.031 -2.167 14.308 29 HA SER 5 HA SER 5 0.745 -2.707 11.386 30 HB2 SER 5 2HB SER 5 3.001 -3.371 13.304 31 HB3 SER 5 3HB SER 5 2.935 -3.863 11.603 32 HG SER 5 HG SER 5 4.119 -1.849 12.165 33 H ASP 6 H ASP 6 -0.859 -3.754 13.910 34 HA ASP 6 HA ASP 6 -0.708 -6.595 13.104 35 HB2 ASP 6 2HB ASP 6 -0.652 -6.093 15.527 36 HB3 ASP 6 3HB ASP 6 -2.299 -5.456 15.408 37 H LYS 7 H LYS 7 -1.668 -4.473 11.431 38 HA LYS 7 HA LYS 7 -4.462 -5.128 10.672 39 HB2 LYS 7 2HB LYS 7 -2.228 -3.711 9.163 40 HB3 LYS 7 3HB LYS 7 -3.927 -3.735 8.748 41 HG2 LYS 7 2HG LYS 7 -2.675 -2.301 11.116 42 HG3 LYS 7 3HG LYS 7 -3.251 -1.638 9.587 43 HD2 LYS 7 2HD LYS 7 -4.993 -1.121 11.010 44 HD3 LYS 7 3HD LYS 7 -5.548 -2.586 10.190 45 HE2 LYS 7 2HE LYS 7 -4.581 -3.844 12.264 46 HE3 LYS 7 3HE LYS 7 -4.498 -2.255 13.024 47 HZ1 LYS 7 3HZ LYS 7 -6.950 -3.521 11.869 48 HZ2 LYS 7 1HZ LYS 7 -6.630 -3.408 13.476 49 HZ3 LYS 7 2HZ LYS 7 -6.922 -2.054 12.600 50 H LEU 8 H LEU 8 -4.515 -5.637 8.201 51 HA LEU 8 HA LEU 8 -2.536 -7.762 7.450 52 HB2 LEU 8 2HB LEU 8 -5.110 -6.807 6.108 53 HB3 LEU 8 3HB LEU 8 -4.122 -8.150 5.547 54 HG LEU 8 HG LEU 8 -5.658 -8.118 8.190 55 HD11 LEU 8 1HD1 LEU 8 -6.289 -9.382 5.497 56 HD12 LEU 8 2HD1 LEU 8 -7.244 -9.564 6.994 57 HD13 LEU 8 3HD1 LEU 8 -7.103 -7.971 6.210 58 HD21 LEU 8 3HD2 LEU 8 -4.252 -10.355 6.665 59 HD22 LEU 8 1HD2 LEU 8 -3.723 -9.646 8.208 60 HD23 LEU 8 2HD2 LEU 8 -5.242 -10.556 8.130 61 H TYR 9 H TYR 9 -3.537 -4.417 6.769 62 HA TYR 9 HA TYR 9 -1.773 -4.347 4.396 63 HB2 TYR 9 2HB TYR 9 -4.530 -3.138 4.700 64 HB3 TYR 9 3HB TYR 9 -3.543 -3.190 3.236 65 HD1 TYR 9 HD1 TYR 9 -2.766 -5.927 2.884 66 HD2 TYR 9 HD2 TYR 9 -6.453 -4.384 4.483 67 HE1 TYR 9 HE1 TYR 9 -3.925 -8.015 2.206 68 HE2 TYR 9 HE2 TYR 9 -7.611 -6.488 3.841 69 HH TYR 9 HH TYR 9 -5.892 -9.144 2.139 70 H ARG 10 H ARG 10 -0.972 -2.310 3.848 71 HA ARG 10 HA ARG 10 -1.061 -0.120 5.832 72 HB2 ARG 10 2HB ARG 10 0.695 -1.520 6.654 73 HB3 ARG 10 3HB ARG 10 1.242 -1.925 5.045 74 HG2 ARG 10 2HG ARG 10 2.906 -0.560 6.004 75 HG3 ARG 10 3HG ARG 10 2.142 0.356 4.734 76 HD2 ARG 10 2HD ARG 10 2.574 1.793 6.648 77 HD3 ARG 10 3HD ARG 10 0.853 1.641 6.318 78 HE ARG 10 HE ARG 10 0.718 1.236 8.565 79 HH11 ARG 10 1HH2 ARG 10 3.638 -0.571 7.712 80 HH12 ARG 10 2HH2 ARG 10 3.699 -1.223 9.334 81 HH21 ARG 10 1HH1 ARG 10 0.948 0.459 10.432 82 HH22 ARG 10 2HH1 ARG 10 2.215 -0.711 10.827 83 H VAL 11 H VAL 11 -0.656 1.902 4.862 84 HA VAL 11 HA VAL 11 0.468 2.040 2.108 85 HB VAL 11 HB VAL 11 -2.059 2.034 2.054 86 HG11 VAL 11 1HG1 VAL 11 -1.860 4.876 3.135 87 HG12 VAL 11 2HG1 VAL 11 -3.318 3.980 2.660 88 HG13 VAL 11 3HG1 VAL 11 -2.386 3.498 4.094 89 HG21 VAL 11 3HG2 VAL 11 -0.834 4.658 1.050 90 HG22 VAL 11 1HG2 VAL 11 -0.597 3.120 0.237 91 HG23 VAL 11 2HG2 VAL 11 -2.228 3.787 0.375 92 H GLU 12 H GLU 12 1.656 3.957 1.708 93 HA GLU 12 HA GLU 12 1.305 6.198 3.516 94 HB2 GLU 12 2HB GLU 12 3.469 6.431 4.382 95 HB3 GLU 12 3HB GLU 12 2.938 4.811 4.821 96 HG2 GLU 12 2HG GLU 12 4.370 3.802 3.170 97 HG3 GLU 12 3HG GLU 12 4.781 5.360 2.459 98 H TYR 13 H TYR 13 2.243 8.144 2.857 99 HA TYR 13 HA TYR 13 3.568 8.360 0.225 100 HB2 TYR 13 2HB TYR 13 3.336 10.275 2.576 101 HB3 TYR 13 3HB TYR 13 4.170 10.623 1.071 102 HD1 TYR 13 HD2 TYR 13 1.313 8.875 -0.051 103 HD2 TYR 13 HD1 TYR 13 2.514 12.619 1.743 104 HE1 TYR 13 HE2 TYR 13 -0.702 9.983 -0.990 105 HE2 TYR 13 HE1 TYR 13 0.493 13.714 0.799 106 HH TYR 13 HH TYR 13 -1.315 13.475 -0.555 107 H ALA 14 H ALA 14 5.664 7.911 -0.046 108 HA ALA 14 HA ALA 14 7.142 6.604 2.013 109 HB1 ALA 14 1HB ALA 14 7.783 7.419 -0.846 110 HB2 ALA 14 2HB ALA 14 8.797 6.347 0.140 111 HB3 ALA 14 3HB ALA 14 7.138 5.871 -0.293 112 H LYS 15 H LYS 15 8.640 7.295 3.404 113 HA LYS 15 HA LYS 15 9.501 10.116 3.437 114 HB2 LYS 15 2HB LYS 15 9.958 7.839 5.416 115 HB3 LYS 15 3HB LYS 15 10.587 9.469 5.597 116 HG2 LYS 15 2HG LYS 15 8.696 9.510 6.923 117 HG3 LYS 15 3HG LYS 15 8.178 10.321 5.440 118 HD2 LYS 15 2HD LYS 15 7.146 8.154 4.694 119 HD3 LYS 15 3HD LYS 15 7.618 7.417 6.231 120 HE2 LYS 15 2HE LYS 15 6.131 8.874 7.446 121 HE3 LYS 15 3HE LYS 15 5.901 9.918 6.024 122 HZ1 LYS 15 3HZ LYS 15 5.100 7.059 6.072 123 HZ2 LYS 15 1HZ LYS 15 4.026 8.299 6.347 124 HZ3 LYS 15 2HZ LYS 15 4.797 8.144 4.903 125 H SER 16 H SER 16 10.997 6.967 3.035 126 HA SER 16 HA SER 16 13.532 8.118 2.005 127 HB2 SER 16 2HB SER 16 13.354 6.047 4.235 128 HB3 SER 16 3HB SER 16 14.838 6.542 3.395 129 HG SER 16 HG SER 16 14.526 7.661 5.388 130 H GLY 17 H GLY 17 14.556 6.766 0.496 131 HA2 GLY 17 2HA GLY 17 12.765 4.960 -0.898 132 HA3 GLY 17 3HA GLY 17 14.340 5.529 -1.432 133 H ARG 18 H ARG 18 13.822 3.842 1.641 134 HA ARG 18 HA ARG 18 15.845 1.810 0.893 135 HB2 ARG 18 2HB ARG 18 14.616 2.828 3.458 136 HB3 ARG 18 3HB ARG 18 15.289 1.211 3.444 137 HG2 ARG 18 2HG ARG 18 16.920 2.772 4.251 138 HG3 ARG 18 3HG ARG 18 17.473 2.005 2.763 139 HD2 ARG 18 2HD ARG 18 17.072 4.022 1.482 140 HD3 ARG 18 3HD ARG 18 16.235 4.780 2.853 141 HE ARG 18 HE ARG 18 18.849 4.027 3.692 142 HH11 ARG 18 1HH2 ARG 18 17.538 6.399 1.465 143 HH12 ARG 18 2HH2 ARG 18 18.686 7.614 1.964 144 HH21 ARG 18 1HH1 ARG 18 20.351 5.577 4.168 145 HH22 ARG 18 2HH1 ARG 18 20.280 7.128 3.386 146 H ALA 19 H ALA 19 12.394 1.837 0.977 147 HA ALA 19 HA ALA 19 12.067 -0.998 1.532 148 HB1 ALA 19 1HB ALA 19 10.307 0.666 2.048 149 HB2 ALA 19 2HB ALA 19 10.131 1.007 0.308 150 HB3 ALA 19 3HB ALA 19 9.730 -0.598 0.948 151 H SER 20 H SER 20 11.540 -2.650 0.065 152 HA SER 20 HA SER 20 12.219 -2.154 -2.796 153 HB2 SER 20 2HB SER 20 13.230 -4.407 -1.060 154 HB3 SER 20 3HB SER 20 13.317 -4.380 -2.836 155 HG SER 20 HG SER 20 15.229 -3.559 -1.764 156 H CYS 21 HN CYS 21 11.040 -3.102 -4.292 157 HA CYS 21 HA CYS 21 8.372 -3.836 -3.459 158 HB2 CYS 21 2HB CYS 21 8.961 -2.309 -5.316 159 HB3 CYS 21 3HB CYS 21 9.663 -3.676 -6.198 160 H LYS 22 H LYS 22 7.774 -5.787 -2.892 161 HA LYS 22 HA LYS 22 9.312 -8.172 -3.479 162 HB2 LYS 22 2HB LYS 22 6.507 -7.992 -2.333 163 HB3 LYS 22 3HB LYS 22 7.612 -9.331 -2.133 164 HG2 LYS 22 2HG LYS 22 7.974 -6.515 -1.022 165 HG3 LYS 22 3HG LYS 22 7.319 -7.860 -0.128 166 HD2 LYS 22 2HD LYS 22 10.146 -7.682 -1.240 167 HD3 LYS 22 3HD LYS 22 9.660 -7.415 0.448 168 HE2 LYS 22 2HE LYS 22 8.807 -9.751 0.576 169 HE3 LYS 22 3HE LYS 22 9.354 -10.037 -1.081 170 HZ1 LYS 22 3HZ LYS 22 10.991 -10.816 0.528 171 HZ2 LYS 22 1HZ LYS 22 11.634 -9.592 -0.339 172 HZ3 LYS 22 2HZ LYS 22 11.130 -9.334 1.195 173 H LYS 23 H LYS 23 7.121 -6.597 -5.405 174 HA LYS 23 HA LYS 23 6.081 -9.040 -6.787 175 HB2 LYS 23 2HB LYS 23 4.367 -7.508 -6.103 176 HB3 LYS 23 3HB LYS 23 5.252 -6.142 -6.767 177 HG2 LYS 23 2HG LYS 23 3.326 -6.665 -8.131 178 HG3 LYS 23 3HG LYS 23 4.804 -6.868 -9.048 179 HD2 LYS 23 2HD LYS 23 3.200 -8.613 -9.585 180 HD3 LYS 23 3HD LYS 23 4.632 -9.325 -8.836 181 HE2 LYS 23 2HE LYS 23 3.446 -9.538 -6.693 182 HE3 LYS 23 3HE LYS 23 2.031 -8.710 -7.364 183 HZ1 LYS 23 3HZ LYS 23 3.093 -11.274 -8.439 184 HZ2 LYS 23 1HZ LYS 23 1.854 -11.192 -7.389 185 HZ3 LYS 23 2HZ LYS 23 1.694 -10.544 -8.876 186 H CYS 24 HN CYS 24 7.596 -5.888 -7.689 187 HA CYS 24 HA CYS 24 8.439 -7.193 -10.227 188 HB2 CYS 24 2HB CYS 24 8.397 -5.186 -11.327 189 HB3 CYS 24 3HB CYS 24 6.905 -5.262 -10.397 190 H SER 25 H SER 25 9.846 -6.647 -7.337 191 HA SER 25 HA SER 25 11.920 -6.788 -6.543 192 HB2 SER 25 2HB SER 25 12.741 -7.786 -9.278 193 HB3 SER 25 3HB SER 25 13.627 -8.003 -7.763 194 HG SER 25 HG SER 25 11.917 -9.249 -6.963 195 H GLU 26 H GLU 26 11.164 -4.250 -8.075 196 HA GLU 26 HA GLU 26 13.838 -2.951 -8.323 197 HB2 GLU 26 2HB GLU 26 11.006 -1.900 -8.650 198 HB3 GLU 26 3HB GLU 26 12.459 -0.937 -8.886 199 HG2 GLU 26 2HG GLU 26 11.792 -3.396 -10.562 200 HG3 GLU 26 3HG GLU 26 11.341 -1.753 -10.979 201 H SER 27 H SER 27 13.587 -0.566 -7.141 202 HA SER 27 HA SER 27 12.607 -1.029 -4.372 203 HB2 SER 27 2HB SER 27 15.082 0.551 -5.001 204 HB3 SER 27 3HB SER 27 14.359 0.229 -3.407 205 HG SER 27 HG SER 27 14.938 -1.879 -3.543 206 H ILE 28 H ILE 28 11.851 0.731 -3.196 207 HA ILE 28 HA ILE 28 10.121 2.229 -5.059 208 HB ILE 28 HB ILE 28 9.692 1.571 -2.133 209 HG12 ILE 28 2HG1 ILE 28 8.440 0.056 -4.454 210 HG13 ILE 28 3HG1 ILE 28 9.917 -0.507 -3.678 211 HG21 ILE 28 1HG2 ILE 28 7.294 2.013 -2.755 212 HG22 ILE 28 2HG2 ILE 28 8.302 3.451 -2.969 213 HG23 ILE 28 3HG2 ILE 28 7.812 2.486 -4.370 214 HD11 ILE 28 3HD1 ILE 28 8.810 -0.614 -1.493 215 HD12 ILE 28 1HD1 ILE 28 7.272 -0.134 -2.241 216 HD13 ILE 28 2HD1 ILE 28 8.050 -1.654 -2.703 217 HA PRO 29 HA PRO 29 12.536 5.773 -3.571 218 HB2 PRO 29 2HB PRO 29 11.618 7.731 -5.226 219 HB3 PRO 29 3HB PRO 29 12.659 6.390 -5.801 220 HG2 PRO 29 2HG PRO 29 9.621 6.557 -5.900 221 HG3 PRO 29 3HG PRO 29 10.750 6.195 -7.243 222 HD2 PRO 29 2HD PRO 29 9.527 4.215 -5.853 223 HD3 PRO 29 3HD PRO 29 11.227 4.038 -6.386 224 H LYS 30 H LYS 30 12.294 7.774 -2.479 225 HA LYS 30 HA LYS 30 9.895 8.082 -0.854 226 HB2 LYS 30 2HB LYS 30 11.008 9.889 0.222 227 HB3 LYS 30 3HB LYS 30 12.077 8.501 0.098 228 HG2 LYS 30 2HG LYS 30 13.327 9.529 -1.722 229 HG3 LYS 30 3HG LYS 30 12.220 10.914 -1.769 230 HD2 LYS 30 2HD LYS 30 13.839 10.130 0.691 231 HD3 LYS 30 3HD LYS 30 14.426 11.273 -0.521 232 HE2 LYS 30 2HE LYS 30 12.842 12.910 -0.003 233 HE3 LYS 30 3HE LYS 30 11.706 11.757 0.699 234 HZ1 LYS 30 3HZ LYS 30 13.096 11.498 2.596 235 HZ2 LYS 30 1HZ LYS 30 14.283 12.464 1.980 236 HZ3 LYS 30 2HZ LYS 30 12.834 13.098 2.398 237 H ASP 31 H ASP 31 8.835 10.197 -0.591 238 HA ASP 31 HA ASP 31 7.248 11.567 -1.379 239 HB2 ASP 31 2HB ASP 31 9.281 12.933 -1.792 240 HB3 ASP 31 3HB ASP 31 9.275 12.399 -3.473 241 H SER 32 H SER 32 6.931 8.988 -2.139 242 HA SER 32 HA SER 32 5.144 9.201 -4.475 243 HB2 SER 32 2HB SER 32 7.384 8.297 -5.255 244 HB3 SER 32 3HB SER 32 7.112 6.899 -4.194 245 HG SER 32 HG SER 32 6.381 6.602 -6.398 246 H LEU 33 H LEU 33 3.794 7.075 -4.571 247 HA LEU 33 HA LEU 33 2.773 6.598 -1.822 248 HB2 LEU 33 2HB LEU 33 1.271 7.600 -3.546 249 HB3 LEU 33 3HB LEU 33 1.485 6.159 -4.538 250 HG LEU 33 HG LEU 33 0.461 4.799 -2.679 251 HD11 LEU 33 1HD1 LEU 33 0.807 6.293 -0.756 252 HD12 LEU 33 2HD1 LEU 33 -0.203 7.539 -1.521 253 HD13 LEU 33 3HD1 LEU 33 -0.915 6.001 -0.999 254 HD21 LEU 33 3HD2 LEU 33 -0.852 5.606 -4.630 255 HD22 LEU 33 1HD2 LEU 33 -1.838 5.500 -3.161 256 HD23 LEU 33 2HD2 LEU 33 -1.259 7.085 -3.729 257 H ARG 34 H ARG 34 2.880 4.641 -0.877 258 HA ARG 34 HA ARG 34 3.487 2.198 -2.454 259 HB2 ARG 34 2HB ARG 34 5.306 1.552 -1.007 260 HB3 ARG 34 3HB ARG 34 5.663 3.098 -1.785 261 HG2 ARG 34 2HG ARG 34 5.382 4.331 0.232 262 HG3 ARG 34 3HG ARG 34 4.539 3.000 1.014 263 HD2 ARG 34 2HD ARG 34 6.646 3.009 2.012 264 HD3 ARG 34 3HD ARG 34 6.653 1.640 0.923 265 HE ARG 34 HE ARG 34 7.955 3.059 -0.693 266 HH11 ARG 34 1HH2 ARG 34 8.136 4.061 2.713 267 HH12 ARG 34 2HH2 ARG 34 9.859 4.319 2.573 268 HH21 ARG 34 1HH1 ARG 34 10.154 3.691 -0.751 269 HH22 ARG 34 2HH1 ARG 34 10.840 4.325 0.715 270 H MET 35 H MET 35 3.100 0.232 -1.321 271 HA MET 35 HA MET 35 1.336 0.394 1.047 272 HB2 MET 35 2HB MET 35 0.617 -0.884 -1.616 273 HB3 MET 35 3HB MET 35 -0.144 -1.349 -0.081 274 HG2 MET 35 2HG MET 35 -0.851 0.965 0.278 275 HG3 MET 35 3HG MET 35 -0.179 1.418 -1.296 276 HE1 MET 35 3HE MET 35 -2.967 -0.335 0.726 277 HE2 MET 35 1HE MET 35 -3.989 -1.104 -0.509 278 HE3 MET 35 2HE MET 35 -2.373 -1.762 -0.161 279 H ALA 36 H ALA 36 1.120 -1.538 2.228 280 HA ALA 36 HA ALA 36 3.150 -3.614 1.673 281 HB1 ALA 36 1HB ALA 36 3.291 -1.624 3.837 282 HB2 ALA 36 2HB ALA 36 3.447 -3.303 4.396 283 HB3 ALA 36 3HB ALA 36 4.539 -2.675 3.160 284 H ILE 37 H ILE 37 2.925 -5.575 2.857 285 HA ILE 37 HA ILE 37 0.194 -6.033 3.982 286 HB ILE 37 HB ILE 37 1.678 -7.447 1.895 287 HG12 ILE 37 2HG1 ILE 37 -1.185 -7.920 2.814 288 HG13 ILE 37 3HG1 ILE 37 -0.736 -6.423 2.027 289 HG21 ILE 37 1HG2 ILE 37 0.522 -9.196 4.080 290 HG22 ILE 37 2HG2 ILE 37 1.071 -9.714 2.458 291 HG23 ILE 37 3HG2 ILE 37 2.238 -9.061 3.603 292 HD11 ILE 37 3HD1 ILE 37 -0.394 -9.182 0.805 293 HD12 ILE 37 1HD1 ILE 37 -1.582 -7.942 0.347 294 HD13 ILE 37 2HD1 ILE 37 0.151 -7.656 0.076 295 H MET 38 H MET 38 -0.029 -7.062 5.843 296 HA MET 38 HA MET 38 2.402 -7.125 7.510 297 HB2 MET 38 2HB MET 38 -0.512 -7.190 8.294 298 HB3 MET 38 3HB MET 38 0.825 -6.843 9.382 299 HG2 MET 38 2HG MET 38 0.204 -5.023 7.021 300 HG3 MET 38 3HG MET 38 -0.755 -4.980 8.470 301 HE1 MET 38 3HE MET 38 3.084 -5.698 8.920 302 HE2 MET 38 1HE MET 38 2.901 -4.987 7.301 303 HE3 MET 38 2HE MET 38 3.763 -4.089 8.591 304 H VAL 39 H VAL 39 3.397 -8.995 7.452 305 HA VAL 39 HA VAL 39 1.793 -11.489 7.919 306 HB VAL 39 HB VAL 39 2.853 -11.564 5.791 307 HG11 VAL 39 1HG1 VAL 39 5.517 -11.159 7.203 308 HG12 VAL 39 2HG1 VAL 39 5.280 -11.618 5.505 309 HG13 VAL 39 3HG1 VAL 39 4.732 -10.033 6.064 310 HG21 VAL 39 3HG2 VAL 39 4.367 -13.416 7.653 311 HG22 VAL 39 1HG2 VAL 39 2.686 -13.656 7.106 312 HG23 VAL 39 2HG2 VAL 39 4.012 -13.650 5.935 313 H GLN 40 H GLN 40 2.254 -12.844 9.529 314 HA GLN 40 HA GLN 40 3.806 -11.935 11.808 315 HB2 GLN 40 2HB GLN 40 3.175 -14.156 12.748 316 HB3 GLN 40 3HB GLN 40 1.836 -13.145 12.242 317 HG2 GLN 40 2HG GLN 40 0.999 -14.831 11.065 318 HG3 GLN 40 3HG GLN 40 2.357 -14.761 9.959 319 HE21 GLN 40 2HE2 GLN 40 4.359 -16.059 10.626 320 HE22 GLN 40 1HE2 GLN 40 4.053 -17.588 11.460 321 H SER 41 H SER 41 5.948 -12.092 12.060 322 HA SER 41 HA SER 41 7.479 -13.354 9.981 323 HB2 SER 41 2HB SER 41 8.033 -11.136 11.046 324 HB3 SER 41 3HB SER 41 8.525 -12.045 12.489 325 HG SER 41 HG SER 41 9.713 -11.930 9.966 326 HA PRO 42 HA PRO 42 8.908 -16.869 12.323 327 HB2 PRO 42 2HB PRO 42 10.730 -17.912 10.572 328 HB3 PRO 42 3HB PRO 42 8.964 -18.005 10.293 329 HG2 PRO 42 2HG PRO 42 10.923 -15.983 9.173 330 HG3 PRO 42 3HG PRO 42 9.670 -16.910 8.290 331 HD2 PRO 42 2HD PRO 42 9.280 -14.329 9.197 332 HD3 PRO 42 3HD PRO 42 7.947 -15.510 9.089 333 H MET 43 H MET 43 10.667 -14.019 11.504 334 HA MET 43 HA MET 43 12.955 -14.828 13.248 335 HB2 MET 43 2HB MET 43 14.430 -13.556 12.032 336 HB3 MET 43 3HB MET 43 13.469 -14.485 10.893 337 HG2 MET 43 2HG MET 43 12.059 -12.173 10.864 338 HG3 MET 43 3HG MET 43 13.607 -11.527 11.371 339 HE1 MET 43 3HE MET 43 12.635 -13.683 7.390 340 HE2 MET 43 1HE MET 43 12.716 -14.547 8.943 341 HE3 MET 43 2HE MET 43 11.487 -13.296 8.697 342 H PHE 44 H PHE 44 10.462 -12.433 12.832 343 HA PHE 44 HA PHE 44 11.529 -10.791 15.090 344 HB2 PHE 44 2HB PHE 44 11.312 -9.565 13.010 345 HB3 PHE 44 3HB PHE 44 9.654 -10.092 12.813 346 HD1 PHE 44 HD1 PHE 44 11.897 -8.020 14.973 347 HD2 PHE 44 HD2 PHE 44 7.843 -8.902 13.800 348 HE1 PHE 44 HE1 PHE 44 11.101 -6.004 16.189 349 HE2 PHE 44 HE2 PHE 44 7.051 -6.879 15.004 350 HZ PHE 44 HZ PHE 44 8.679 -5.431 16.206 351 H ASP 45 H ASP 45 10.098 -10.126 16.724 352 HA ASP 45 HA ASP 45 8.237 -12.253 17.494 353 HB2 ASP 45 2HB ASP 45 8.398 -11.359 19.719 354 HB3 ASP 45 3HB ASP 45 9.985 -11.629 19.026 355 H GLY 46 H GLY 46 7.051 -11.043 15.437 356 HA2 GLY 46 2HA GLY 46 4.491 -10.290 16.213 357 HA3 GLY 46 3HA GLY 46 5.399 -8.780 16.095 358 H LYS 47 H LYS 47 4.216 -8.037 14.392 359 HA LYS 47 HA LYS 47 4.086 -9.552 11.833 360 HB2 LYS 47 2HB LYS 47 2.571 -7.141 12.898 361 HB3 LYS 47 3HB LYS 47 2.289 -7.860 11.318 362 HG2 LYS 47 2HG LYS 47 2.075 -9.601 13.806 363 HG3 LYS 47 3HG LYS 47 0.791 -8.456 13.454 364 HD2 LYS 47 2HD LYS 47 1.761 -10.505 11.447 365 HD3 LYS 47 3HD LYS 47 0.473 -10.854 12.595 366 HE2 LYS 47 2HE LYS 47 0.338 -8.462 10.726 367 HE3 LYS 47 3HE LYS 47 -0.151 -10.072 10.188 368 HZ1 LYS 47 3HZ LYS 47 -1.340 -8.862 12.632 369 HZ2 LYS 47 1HZ LYS 47 -1.952 -8.591 11.119 370 HZ3 LYS 47 2HZ LYS 47 -1.894 -10.107 11.746 371 H VAL 48 H VAL 48 4.968 -8.807 9.972 372 HA VAL 48 HA VAL 48 6.504 -6.251 10.048 373 HB VAL 48 HB VAL 48 8.322 -7.299 8.818 374 HG11 VAL 48 1HG1 VAL 48 7.744 -8.772 11.421 375 HG12 VAL 48 2HG1 VAL 48 9.331 -8.505 10.678 376 HG13 VAL 48 3HG1 VAL 48 8.407 -7.129 11.299 377 HG21 VAL 48 3HG2 VAL 48 8.572 -9.739 8.689 378 HG22 VAL 48 1HG2 VAL 48 6.934 -9.963 9.330 379 HG23 VAL 48 2HG2 VAL 48 7.179 -9.202 7.745 380 HA PRO 49 HA PRO 49 4.558 -5.537 6.180 381 HB2 PRO 49 2HB PRO 49 5.884 -3.353 5.232 382 HB3 PRO 49 3HB PRO 49 4.897 -3.298 6.722 383 HG2 PRO 49 2HG PRO 49 7.902 -3.646 6.478 384 HG3 PRO 49 3HG PRO 49 6.998 -2.546 7.564 385 HD2 PRO 49 2HD PRO 49 7.948 -4.998 8.367 386 HD3 PRO 49 3HD PRO 49 6.444 -4.284 9.021 387 H HIS 50 H HIS 50 4.550 -6.464 4.233 388 HA HIS 50 HA HIS 50 7.077 -6.748 2.632 389 HB2 HIS 50 2HB HIS 50 4.316 -8.010 2.482 390 HB3 HIS 50 3HB HIS 50 5.402 -8.000 1.101 391 HD2 HIS 50 HD2 HIS 50 6.695 -8.553 4.682 392 HE1 HIS 50 HE1 HIS 50 7.118 -12.268 2.635 393 HE2 HIS 50 HE2 HIS 50 7.696 -11.000 4.766 394 H TRP 51 H TRP 51 7.481 -4.685 1.925 395 HA TRP 51 HA TRP 51 5.333 -2.920 1.063 396 HB2 TRP 51 2HB TRP 51 8.358 -2.709 0.973 397 HB3 TRP 51 3HB TRP 51 7.272 -1.470 0.365 398 HD1 TRP 51 HD1 TRP 51 8.942 -2.538 3.485 399 HE1 TRP 51 HE1 TRP 51 8.227 -1.037 5.440 400 HE3 TRP 51 HE3 TRP 51 4.926 -0.229 1.304 401 HZ2 TRP 51 HZ2 TRP 51 6.174 0.915 5.993 402 HZ3 TRP 51 HZ3 TRP 51 3.585 1.435 2.584 403 HH2 TRP 51 HH2 TRP 51 4.225 2.036 4.908 404 H TYR 52 H TYR 52 4.720 -2.375 -0.948 405 HA TYR 52 HA TYR 52 6.314 -3.159 -3.299 406 HB2 TYR 52 2HB TYR 52 3.379 -3.459 -3.620 407 HB3 TYR 52 3HB TYR 52 4.738 -4.258 -4.412 408 HD1 TYR 52 HD1 TYR 52 2.973 -4.297 -1.048 409 HD2 TYR 52 HD2 TYR 52 4.962 -6.491 -4.168 410 HE1 TYR 52 HE1 TYR 52 2.334 -6.456 0.054 411 HE2 TYR 52 HE2 TYR 52 4.286 -8.635 -3.092 412 HH TYR 52 HH TYR 52 2.439 -8.739 -0.039 413 H HIS 53 H HIS 53 5.654 -1.864 -5.221 414 HA HIS 53 HA HIS 53 5.019 0.926 -4.747 415 HB2 HIS 53 2HB HIS 53 4.551 -0.727 -7.265 416 HB3 HIS 53 3HB HIS 53 4.460 1.008 -7.163 417 HD2 HIS 53 HD2 HIS 53 6.737 2.397 -6.668 418 HE1 HIS 53 HE1 HIS 53 9.292 -0.536 -8.392 419 HE2 HIS 53 HE2 HIS 53 9.104 1.895 -7.699 420 H PHE 54 H PHE 54 2.982 2.070 -5.238 421 HA PHE 54 HA PHE 54 0.707 1.010 -4.029 422 HB2 PHE 54 2HB PHE 54 0.848 3.356 -4.415 423 HB3 PHE 54 3HB PHE 54 0.970 3.149 -6.160 424 HD1 PHE 54 HD2 PHE 54 -1.374 2.361 -3.299 425 HD2 PHE 54 HD1 PHE 54 -0.982 3.306 -7.492 426 HE1 PHE 54 HE2 PHE 54 -3.838 2.236 -3.566 427 HE2 PHE 54 HE1 PHE 54 -3.459 3.240 -7.720 428 HZ PHE 54 HZ PHE 54 -4.876 2.671 -5.774 429 H SER 55 H SER 55 1.514 0.806 -7.569 430 HA SER 55 HA SER 55 -1.039 -0.438 -8.225 431 HB2 SER 55 2HB SER 55 -0.080 -0.643 -10.472 432 HB3 SER 55 3HB SER 55 0.084 0.997 -9.824 433 HG SER 55 HG SER 55 2.077 0.630 -10.529 434 H CYS 56 HN CYS 56 2.310 -1.539 -7.734 435 HA CYS 56 HA CYS 56 2.064 -4.199 -8.450 436 HB2 CYS 56 2HB CYS 56 3.789 -2.793 -6.400 437 HB3 CYS 56 3HB CYS 56 4.005 -4.477 -6.838 438 H PHE 57 H PHE 57 1.210 -2.709 -5.356 439 HA PHE 57 HA PHE 57 0.673 -4.951 -3.723 440 HB2 PHE 57 2HB PHE 57 0.668 -2.600 -3.033 441 HB3 PHE 57 3HB PHE 57 -0.825 -2.322 -3.932 442 HD1 PHE 57 HD1 PHE 57 -2.952 -3.447 -3.239 443 HD2 PHE 57 HD2 PHE 57 0.656 -3.746 -0.899 444 HE1 PHE 57 HE1 PHE 57 -4.260 -4.364 -1.354 445 HE2 PHE 57 HE2 PHE 57 -0.671 -4.550 1.025 446 HZ PHE 57 HZ PHE 57 -3.118 -4.924 0.789 447 H TRP 58 H TRP 58 -1.498 -3.340 -6.109 448 HA TRP 58 HA TRP 58 -3.586 -5.330 -5.736 449 HB2 TRP 58 2HB TRP 58 -3.389 -3.292 -7.954 450 HB3 TRP 58 3HB TRP 58 -4.825 -4.096 -7.307 451 HD1 TRP 58 HD1 TRP 58 -2.722 -1.073 -6.900 452 HE1 TRP 58 HE1 TRP 58 -3.387 0.327 -4.877 453 HE3 TRP 58 HE3 TRP 58 -5.952 -4.365 -4.697 454 HZ2 TRP 58 HZ2 TRP 58 -5.249 0.115 -2.640 455 HZ3 TRP 58 HZ3 TRP 58 -7.126 -3.754 -2.600 456 HH2 TRP 58 HH2 TRP 58 -6.793 -1.497 -1.587 457 H LYS 59 H LYS 59 -0.807 -5.091 -7.878 458 HA LYS 59 HA LYS 59 -1.564 -7.254 -9.666 459 HB2 LYS 59 2HB LYS 59 1.186 -6.287 -8.880 460 HB3 LYS 59 3HB LYS 59 0.852 -7.451 -10.151 461 HG2 LYS 59 2HG LYS 59 -0.312 -5.830 -11.494 462 HG3 LYS 59 3HG LYS 59 -0.348 -4.674 -10.169 463 HD2 LYS 59 2HD LYS 59 2.386 -5.127 -10.403 464 HD3 LYS 59 3HD LYS 59 1.860 -5.286 -12.083 465 HE2 LYS 59 2HE LYS 59 0.974 -3.083 -12.136 466 HE3 LYS 59 3HE LYS 59 0.807 -3.032 -10.383 467 HZ1 LYS 59 3HZ LYS 59 3.263 -2.950 -10.208 468 HZ2 LYS 59 1HZ LYS 59 3.380 -2.839 -11.842 469 HZ3 LYS 59 2HZ LYS 59 2.641 -1.658 -10.959 470 H VAL 60 H VAL 60 -0.535 -7.248 -6.302 471 HA VAL 60 HA VAL 60 0.047 -10.105 -6.203 472 HB VAL 60 HB VAL 60 -1.049 -8.486 -3.889 473 HG11 VAL 60 1HG1 VAL 60 0.807 -10.907 -4.001 474 HG12 VAL 60 2HG1 VAL 60 0.346 -10.027 -2.530 475 HG13 VAL 60 3HG1 VAL 60 -0.873 -10.911 -3.434 476 HG21 VAL 60 3HG2 VAL 60 0.912 -7.260 -4.758 477 HG22 VAL 60 1HG2 VAL 60 1.272 -8.031 -3.236 478 HG23 VAL 60 2HG2 VAL 60 1.871 -8.755 -4.746 479 H GLY 61 H GLY 61 -2.922 -8.379 -6.666 480 HA2 GLY 61 2HA GLY 61 -4.894 -9.331 -7.398 481 HA3 GLY 61 3HA GLY 61 -4.401 -10.912 -6.800 482 H HIS 62 H HIS 62 -4.189 -8.369 -4.454 483 HA HIS 62 HA HIS 62 -6.422 -9.450 -2.879 484 HB2 HIS 62 2HB HIS 62 -4.406 -7.228 -2.401 485 HB3 HIS 62 3HB HIS 62 -5.753 -7.541 -1.314 486 HD2 HIS 62 HD2 HIS 62 -2.769 -9.595 -2.789 487 HE1 HIS 62 HE1 HIS 62 -3.476 -10.968 1.182 488 HE2 HIS 62 HE2 HIS 62 -1.985 -11.215 -0.864 489 H SER 63 H SER 63 -8.253 -8.347 -2.205 490 HA SER 63 HA SER 63 -8.791 -5.632 -3.232 491 HB2 SER 63 2HB SER 63 -11.161 -6.141 -3.620 492 HB3 SER 63 3HB SER 63 -10.093 -7.008 -4.734 493 HG SER 63 HG SER 63 -11.733 -8.372 -3.891 494 H ILE 64 H ILE 64 -9.921 -4.330 -1.749 495 HA ILE 64 HA ILE 64 -9.744 -5.418 1.042 496 HB ILE 64 HB ILE 64 -8.689 -2.811 -0.054 497 HG12 ILE 64 2HG1 ILE 64 -7.391 -5.235 1.247 498 HG13 ILE 64 3HG1 ILE 64 -7.252 -4.756 -0.439 499 HG21 ILE 64 1HG2 ILE 64 -8.681 -3.695 2.867 500 HG22 ILE 64 2HG2 ILE 64 -8.051 -2.184 2.174 501 HG23 ILE 64 3HG2 ILE 64 -9.783 -2.467 2.195 502 HD11 ILE 64 3HD1 ILE 64 -5.241 -4.155 0.720 503 HD12 ILE 64 1HD1 ILE 64 -6.084 -2.659 0.265 504 HD13 ILE 64 2HD1 ILE 64 -6.115 -3.248 1.941 505 H ARG 65 H ARG 65 -11.426 -5.300 2.198 506 HA ARG 65 HA ARG 65 -13.873 -4.172 1.011 507 HB2 ARG 65 2HB ARG 65 -14.958 -5.699 2.775 508 HB3 ARG 65 3HB ARG 65 -14.176 -6.419 1.383 509 HG2 ARG 65 2HG ARG 65 -12.591 -6.126 3.942 510 HG3 ARG 65 3HG ARG 65 -13.830 -7.371 3.837 511 HD2 ARG 65 2HD ARG 65 -12.785 -8.485 2.015 512 HD3 ARG 65 3HD ARG 65 -11.688 -7.151 1.696 513 HE ARG 65 HE ARG 65 -11.558 -8.614 4.298 514 HH11 ARG 65 1HH2 ARG 65 -9.822 -7.911 1.252 515 HH12 ARG 65 2HH2 ARG 65 -8.317 -8.354 2.008 516 HH21 ARG 65 1HH1 ARG 65 -9.545 -9.253 5.016 517 HH22 ARG 65 2HH1 ARG 65 -8.174 -9.110 3.939 518 H HIS 66 H HIS 66 -11.918 -3.419 3.707 519 HA HIS 66 HA HIS 66 -13.611 -1.089 4.256 520 HB2 HIS 66 2HB HIS 66 -13.577 -1.360 6.688 521 HB3 HIS 66 3HB HIS 66 -14.598 -2.493 5.839 522 HD2 HIS 66 HD2 HIS 66 -11.279 -4.097 5.607 523 HE1 HIS 66 HE1 HIS 66 -12.874 -5.475 9.307 524 HE2 HIS 66 HE2 HIS 66 -11.086 -5.861 7.540 525 HA PRO 67 HA PRO 67 -9.100 -0.742 3.798 526 HB2 PRO 67 2HB PRO 67 -8.976 1.518 2.149 527 HB3 PRO 67 3HB PRO 67 -9.180 -0.158 1.569 528 HG2 PRO 67 2HG PRO 67 -11.330 1.886 2.146 529 HG3 PRO 67 3HG PRO 67 -11.150 0.850 0.685 530 HD2 PRO 67 2HD PRO 67 -12.860 0.202 2.656 531 HD3 PRO 67 3HD PRO 67 -11.853 -1.071 1.901 532 H ASP 68 H ASP 68 -11.231 2.000 4.748 533 HA ASP 68 HA ASP 68 -8.991 3.415 5.954 534 HB2 ASP 68 2HB ASP 68 -10.606 4.956 6.842 535 HB3 ASP 68 3HB ASP 68 -10.913 4.644 5.143 536 H VAL 69 H VAL 69 -10.603 0.613 6.873 537 HA VAL 69 HA VAL 69 -10.092 0.945 9.776 538 HB VAL 69 HB VAL 69 -11.402 -1.395 8.343 539 HG11 VAL 69 1HG1 VAL 69 -11.324 -0.611 11.283 540 HG12 VAL 69 2HG1 VAL 69 -12.261 -1.953 10.587 541 HG13 VAL 69 3HG1 VAL 69 -10.500 -2.002 10.539 542 HG21 VAL 69 3HG2 VAL 69 -13.547 -0.501 9.210 543 HG22 VAL 69 1HG2 VAL 69 -12.703 0.966 9.764 544 HG23 VAL 69 2HG2 VAL 69 -12.814 0.587 8.031 545 H GLU 70 H GLU 70 -9.189 -1.090 6.971 546 HA GLU 70 HA GLU 70 -7.098 -2.366 8.656 547 HB2 GLU 70 2HB GLU 70 -8.790 -3.353 6.385 548 HB3 GLU 70 3HB GLU 70 -7.214 -4.089 6.647 549 HG2 GLU 70 2HG GLU 70 -9.408 -3.883 8.734 550 HG3 GLU 70 3HG GLU 70 -8.966 -5.327 7.817 551 H VAL 71 H VAL 71 -7.139 -0.250 5.901 552 HA VAL 71 HA VAL 71 -4.218 -0.741 5.415 553 HB VAL 71 HB VAL 71 -5.958 1.364 4.150 554 HG11 VAL 71 1HG1 VAL 71 -3.283 0.099 3.431 555 HG12 VAL 71 2HG1 VAL 71 -4.117 1.441 2.602 556 HG13 VAL 71 3HG1 VAL 71 -3.479 1.661 4.249 557 HG21 VAL 71 3HG2 VAL 71 -6.813 -0.881 3.536 558 HG22 VAL 71 1HG2 VAL 71 -5.924 -0.168 2.180 559 HG23 VAL 71 2HG2 VAL 71 -5.166 -1.427 3.190 560 H ASP 72 H ASP 72 -3.259 -0.269 7.364 561 HA ASP 72 HA ASP 72 -3.732 2.233 8.776 562 HB2 ASP 72 2HB ASP 72 -2.786 0.391 9.980 563 HB3 ASP 72 3HB ASP 72 -1.418 0.270 8.845 564 H GLY 73 H GLY 73 -2.621 4.150 8.683 565 HA2 GLY 73 2HA GLY 73 -1.082 5.756 7.977 566 HA3 GLY 73 3HA GLY 73 -0.456 4.654 6.761 567 H PHE 74 H PHE 74 -3.653 4.414 6.219 568 HA PHE 74 HA PHE 74 -3.954 6.032 3.914 569 HB2 PHE 74 2HB PHE 74 -5.308 4.067 4.547 570 HB3 PHE 74 3HB PHE 74 -5.929 4.914 5.956 571 HD1 PHE 74 HD1 PHE 74 -6.080 4.673 2.253 572 HD2 PHE 74 HD2 PHE 74 -7.772 6.467 5.793 573 HE1 PHE 74 HE1 PHE 74 -8.080 5.378 0.950 574 HE2 PHE 74 HE2 PHE 74 -9.760 7.173 4.486 575 HZ PHE 74 HZ PHE 74 -9.922 6.611 2.070 576 H SER 75 H SER 75 -4.485 6.878 7.317 577 HA SER 75 HA SER 75 -5.825 9.358 6.970 578 HB2 SER 75 2HB SER 75 -3.910 8.477 9.158 579 HB3 SER 75 3HB SER 75 -5.089 9.803 9.268 580 HG SER 75 HG SER 75 -5.896 7.862 10.189 581 H GLU 76 H GLU 76 -2.492 8.608 6.225 582 HA GLU 76 HA GLU 76 -1.558 11.395 6.504 583 HB2 GLU 76 2HB GLU 76 -0.147 9.013 5.249 584 HB3 GLU 76 3HB GLU 76 0.552 10.569 5.702 585 HG2 GLU 76 2HG GLU 76 -0.187 10.036 8.110 586 HG3 GLU 76 3HG GLU 76 -0.444 8.376 7.562 587 H LEU 77 H LEU 77 -3.234 9.615 4.105 588 HA LEU 77 HA LEU 77 -2.059 10.895 1.749 589 HB2 LEU 77 2HB LEU 77 -4.380 9.006 2.234 590 HB3 LEU 77 3HB LEU 77 -4.062 9.693 0.658 591 HG LEU 77 HG LEU 77 -2.005 8.529 0.415 592 HD11 LEU 77 1HD1 LEU 77 -2.282 7.506 3.246 593 HD12 LEU 77 2HD1 LEU 77 -1.121 6.909 2.037 594 HD13 LEU 77 3HD1 LEU 77 -1.000 8.568 2.615 595 HD21 LEU 77 3HD2 LEU 77 -4.092 7.319 -0.051 596 HD22 LEU 77 1HD2 LEU 77 -2.813 6.221 0.489 597 HD23 LEU 77 2HD2 LEU 77 -4.108 6.691 1.611 598 H ARG 78 H ARG 78 -3.112 12.322 0.324 599 HA ARG 78 HA ARG 78 -5.097 14.182 1.433 600 HB2 ARG 78 2HB ARG 78 -3.693 13.883 -1.252 601 HB3 ARG 78 3HB ARG 78 -5.084 14.941 -1.122 602 HG2 ARG 78 2HG ARG 78 -2.643 15.213 0.682 603 HG3 ARG 78 3HG ARG 78 -2.869 16.088 -0.843 604 HD2 ARG 78 2HD ARG 78 -4.992 17.051 0.022 605 HD3 ARG 78 3HD ARG 78 -4.729 16.241 1.573 606 HE ARG 78 HE ARG 78 -2.394 17.735 1.012 607 HH11 ARG 78 1HH2 ARG 78 -5.742 18.465 1.754 608 HH12 ARG 78 2HH2 ARG 78 -5.342 20.010 2.453 609 HH21 ARG 78 1HH1 ARG 78 -1.959 19.715 1.915 610 HH22 ARG 78 2HH1 ARG 78 -3.256 20.692 2.539 611 H TRP 79 H TRP 79 -7.117 14.670 0.408 612 HA TRP 79 HA TRP 79 -8.858 12.516 0.461 613 HB2 TRP 79 2HB TRP 79 -10.050 14.369 0.813 614 HB3 TRP 79 3HB TRP 79 -9.014 15.369 -0.182 615 HD1 TRP 79 HD1 TRP 79 -12.233 13.343 -0.391 616 HE1 TRP 79 HE1 TRP 79 -13.447 13.924 -2.584 617 HE3 TRP 79 HE3 TRP 79 -8.580 16.139 -2.596 618 HZ2 TRP 79 HZ2 TRP 79 -12.863 15.376 -5.030 619 HZ3 TRP 79 HZ3 TRP 79 -8.900 17.091 -4.867 620 HH2 TRP 79 HH2 TRP 79 -11.040 16.720 -6.093 621 H ASP 80 H ASP 80 -7.460 13.972 -2.521 622 HA ASP 80 HA ASP 80 -8.895 12.335 -4.355 623 HB2 ASP 80 2HB ASP 80 -7.703 14.456 -4.893 624 HB3 ASP 80 3HB ASP 80 -6.161 13.638 -4.654 625 H ASP 81 H ASP 81 -6.142 11.545 -2.389 626 HA ASP 81 HA ASP 81 -5.328 9.207 -4.020 627 HB2 ASP 81 2HB ASP 81 -4.078 10.643 -1.657 628 HB3 ASP 81 3HB ASP 81 -3.579 9.025 -2.150 629 H GLN 82 H GLN 82 -6.739 10.069 -0.834 630 HA GLN 82 HA GLN 82 -7.305 7.432 0.084 631 HB2 GLN 82 2HB GLN 82 -8.660 10.134 0.453 632 HB3 GLN 82 3HB GLN 82 -9.269 8.672 1.221 633 HG2 GLN 82 2HG GLN 82 -7.070 8.309 2.307 634 HG3 GLN 82 3HG GLN 82 -6.467 9.800 1.582 635 HE21 GLN 82 2HE2 GLN 82 -6.416 9.424 4.357 636 HE22 GLN 82 1HE2 GLN 82 -7.564 10.564 5.070 637 H GLN 83 H GLN 83 -9.285 9.613 -2.014 638 HA GLN 83 HA GLN 83 -11.408 7.751 -2.465 639 HB2 GLN 83 2HB GLN 83 -10.324 10.081 -4.100 640 HB3 GLN 83 3HB GLN 83 -11.781 9.197 -4.544 641 HG2 GLN 83 2HG GLN 83 -11.443 10.617 -1.868 642 HG3 GLN 83 3HG GLN 83 -12.170 11.348 -3.290 643 HE21 GLN 83 2HE2 GLN 83 -12.732 9.225 -0.570 644 HE22 GLN 83 1HE2 GLN 83 -14.386 8.820 -1.004 645 H LYS 84 H LYS 84 -8.219 7.980 -4.031 646 HA LYS 84 HA LYS 84 -8.907 6.209 -6.251 647 HB2 LYS 84 2HB LYS 84 -7.487 8.058 -6.662 648 HB3 LYS 84 3HB LYS 84 -6.461 7.713 -5.285 649 HG2 LYS 84 2HG LYS 84 -6.634 5.737 -7.560 650 HG3 LYS 84 3HG LYS 84 -5.681 7.205 -7.740 651 HD2 LYS 84 2HD LYS 84 -5.311 5.121 -5.569 652 HD3 LYS 84 3HD LYS 84 -4.300 5.331 -7.002 653 HE2 LYS 84 2HE LYS 84 -4.584 7.253 -4.660 654 HE3 LYS 84 3HE LYS 84 -3.232 6.173 -4.964 655 HZ1 LYS 84 3HZ LYS 84 -2.857 8.498 -5.680 656 HZ2 LYS 84 1HZ LYS 84 -2.661 7.429 -6.919 657 HZ3 LYS 84 2HZ LYS 84 -4.009 8.357 -6.822 658 H VAL 85 H VAL 85 -7.162 6.016 -3.136 659 HA VAL 85 HA VAL 85 -6.469 3.186 -3.431 660 HB VAL 85 HB VAL 85 -6.799 4.949 -0.963 661 HG11 VAL 85 1HG1 VAL 85 -5.730 2.086 -1.100 662 HG12 VAL 85 2HG1 VAL 85 -5.568 3.169 0.292 663 HG13 VAL 85 3HG1 VAL 85 -7.169 2.639 -0.213 664 HG21 VAL 85 3HG2 VAL 85 -4.407 4.972 -0.846 665 HG22 VAL 85 1HG2 VAL 85 -4.246 3.783 -2.134 666 HG23 VAL 85 2HG2 VAL 85 -4.822 5.414 -2.507 667 H LYS 86 H LYS 86 -9.287 4.867 -1.893 668 HA LYS 86 HA LYS 86 -10.685 2.445 -1.254 669 HB2 LYS 86 2HB LYS 86 -11.653 5.298 -1.739 670 HB3 LYS 86 3HB LYS 86 -12.734 3.957 -1.342 671 HG2 LYS 86 2HG LYS 86 -11.238 3.488 0.669 672 HG3 LYS 86 3HG LYS 86 -10.478 5.048 0.401 673 HD2 LYS 86 2HD LYS 86 -12.520 6.227 0.863 674 HD3 LYS 86 3HD LYS 86 -13.497 4.754 0.668 675 HE2 LYS 86 2HE LYS 86 -12.290 3.751 2.632 676 HE3 LYS 86 3HE LYS 86 -11.532 5.316 2.931 677 HZ1 LYS 86 3HZ LYS 86 -13.705 6.241 3.375 678 HZ2 LYS 86 1HZ LYS 86 -14.475 4.891 2.854 679 HZ3 LYS 86 2HZ LYS 86 -13.596 4.825 4.221 680 H LYS 87 H LYS 87 -10.877 4.436 -4.252 681 HA LYS 87 HA LYS 87 -12.776 2.686 -5.548 682 HB2 LYS 87 2HB LYS 87 -12.291 4.985 -6.273 683 HB3 LYS 87 3HB LYS 87 -10.660 4.537 -6.763 684 HG2 LYS 87 2HG LYS 87 -13.070 3.123 -7.959 685 HG3 LYS 87 3HG LYS 87 -12.638 4.746 -8.493 686 HD2 LYS 87 2HD LYS 87 -10.379 3.979 -9.143 687 HD3 LYS 87 3HD LYS 87 -10.798 2.319 -8.673 688 HE2 LYS 87 2HE LYS 87 -12.666 2.313 -10.294 689 HE3 LYS 87 3HE LYS 87 -12.282 3.976 -10.756 690 HZ1 LYS 87 3HZ LYS 87 -11.316 2.383 -12.308 691 HZ2 LYS 87 1HZ LYS 87 -10.118 3.191 -11.552 692 HZ3 LYS 87 2HZ LYS 87 -10.466 1.649 -11.123 693 H THR 88 H THR 88 -9.195 2.634 -5.570 694 HA THR 88 HA THR 88 -9.027 0.373 -7.278 695 HB THR 88 HB THR 88 -6.919 1.267 -5.312 696 HG1 THR 88 1HG THR 88 -7.448 2.974 -6.623 697 HG21 THR 88 1HG2 THR 88 -5.440 0.322 -7.046 698 HG22 THR 88 2HG2 THR 88 -6.524 -0.929 -6.415 699 HG23 THR 88 3HG2 THR 88 -6.856 -0.182 -7.994 700 H ALA 89 H ALA 89 -9.433 0.590 -3.770 701 HA ALA 89 HA ALA 89 -8.921 -2.159 -3.136 702 HB1 ALA 89 1HB ALA 89 -10.083 -1.475 -1.021 703 HB2 ALA 89 2HB ALA 89 -8.780 -0.360 -1.488 704 HB3 ALA 89 3HB ALA 89 -10.480 0.070 -1.757 705 H GLU 90 H GLU 90 -11.849 -0.324 -4.067 706 HA GLU 90 HA GLU 90 -13.571 -2.649 -3.922 707 HB2 GLU 90 2HB GLU 90 -13.919 -0.001 -5.389 708 HB3 GLU 90 3HB GLU 90 -15.147 -1.265 -5.289 709 HG2 GLU 90 2HG GLU 90 -15.060 -1.080 -2.775 710 HG3 GLU 90 3HG GLU 90 -14.004 0.322 -2.963 711 H ALA 91 H ALA 91 -11.663 -1.132 -6.492 712 HA ALA 91 HA ALA 91 -12.656 -2.724 -8.646 713 HB1 ALA 91 1HB ALA 91 -10.085 -1.100 -8.368 714 HB2 ALA 91 2HB ALA 91 -10.845 -1.606 -9.888 715 HB3 ALA 91 3HB ALA 91 -11.665 -0.441 -8.823 716 H GLY 92 H GLY 92 -9.992 -3.278 -6.381 717 HA2 GLY 92 2HA GLY 92 -8.627 -5.099 -6.024 718 HA3 GLY 92 3HA GLY 92 -9.553 -6.033 -7.205 719 H GLY 93 H GLY 93 -8.176 -2.961 -8.186 720 HA2 GLY 93 2HA GLY 93 -5.670 -3.625 -9.270 721 HA3 GLY 93 3HA GLY 93 -6.875 -4.125 -10.453 722 H VAL 94 H VAL 94 -4.814 -1.834 -10.153 723 HA VAL 94 HA VAL 94 -6.559 0.497 -10.746 724 HB VAL 94 HB VAL 94 -4.752 0.805 -9.129 725 HG11 VAL 94 1HG1 VAL 94 -2.991 -0.640 -10.113 726 HG12 VAL 94 2HG1 VAL 94 -2.825 0.502 -11.468 727 HG13 VAL 94 3HG1 VAL 94 -2.430 1.014 -9.816 728 HG21 VAL 94 3HG2 VAL 94 -5.662 2.708 -10.417 729 HG22 VAL 94 1HG2 VAL 94 -3.969 2.937 -9.956 730 HG23 VAL 94 2HG2 VAL 94 -4.362 2.502 -11.618 731 H THR 95 H THR 95 -6.455 1.659 -12.670 732 HA THR 95 HA THR 95 -5.790 0.099 -15.071 733 HB THR 95 HB THR 95 -6.876 2.020 -16.251 734 HG1 THR 95 1HG THR 95 -7.959 3.525 -14.993 735 HG21 THR 95 1HG2 THR 95 -8.534 0.811 -13.984 736 HG22 THR 95 2HG2 THR 95 -9.154 1.501 -15.503 737 HG23 THR 95 3HG2 THR 95 -8.179 0.022 -15.537 738 H GLY 96 H GLY 96 -4.550 0.962 -16.840 739 HA2 GLY 96 2HA GLY 96 -2.779 2.150 -17.805 740 HA3 GLY 96 3HA GLY 96 -2.653 3.151 -16.359 741 H LYS 97 H LYS 97 -0.358 2.613 -17.302 742 HA LYS 97 HA LYS 97 0.948 0.674 -15.489 743 HB2 LYS 97 2HB LYS 97 0.357 -0.546 -17.606 744 HB3 LYS 97 3HB LYS 97 1.346 0.599 -18.517 745 HG2 LYS 97 2HG LYS 97 3.352 -0.130 -17.220 746 HG3 LYS 97 3HG LYS 97 2.351 -1.278 -16.322 747 HD2 LYS 97 2HD LYS 97 2.835 -1.298 -19.338 748 HD3 LYS 97 3HD LYS 97 3.661 -2.323 -18.155 749 HE2 LYS 97 2HE LYS 97 1.474 -3.329 -17.503 750 HE3 LYS 97 3HE LYS 97 0.661 -2.340 -18.723 751 HZ1 LYS 97 3HZ LYS 97 2.746 -4.376 -19.303 752 HZ2 LYS 97 1HZ LYS 97 1.148 -4.558 -19.574 753 HZ3 LYS 97 2HZ LYS 97 1.997 -3.458 -20.429 754 H GLY 98 H GLY 98 3.030 1.251 -14.936 755 HA2 GLY 98 2HA GLY 98 4.847 2.814 -16.377 756 HA3 GLY 98 3HA GLY 98 3.952 3.950 -15.368 757 H GLN 99 H GLN 99 6.660 3.652 -15.120 758 HA GLN 99 HA GLN 99 6.905 3.002 -12.283 759 HB2 GLN 99 2HB GLN 99 7.630 0.980 -13.984 760 HB3 GLN 99 3HB GLN 99 9.139 1.878 -13.956 761 HG2 GLN 99 2HG GLN 99 7.626 0.769 -11.541 762 HG3 GLN 99 3HG GLN 99 9.046 0.043 -12.289 763 HE21 GLN 99 2HE2 GLN 99 11.166 1.223 -12.076 764 HE22 GLN 99 1HE2 GLN 99 11.342 2.376 -10.755 765 H ASP 100 H ASP 100 8.535 4.279 -11.287 766 HA ASP 100 HA ASP 100 10.406 5.855 -12.880 767 HB2 ASP 100 2HB ASP 100 8.372 7.255 -13.032 768 HB3 ASP 100 3HB ASP 100 8.220 7.243 -11.273 769 H GLY 101 H GLY 101 12.225 6.270 -11.750 770 HA2 GLY 101 2HA GLY 101 13.737 6.400 -10.010 771 HA3 GLY 101 3HA GLY 101 12.419 6.402 -8.848 772 H ILE 102 H ILE 102 14.602 5.108 -8.129 773 HA ILE 102 HA ILE 102 13.889 2.252 -8.104 774 HB ILE 102 HB ILE 102 15.287 2.644 -10.110 775 HG12 ILE 102 2HG1 ILE 102 16.605 0.793 -8.093 776 HG13 ILE 102 3HG1 ILE 102 15.115 0.456 -8.975 777 HG21 ILE 102 1HG2 ILE 102 17.625 3.171 -10.016 778 HG22 ILE 102 2HG2 ILE 102 16.754 4.444 -9.165 779 HG23 ILE 102 3HG2 ILE 102 17.624 3.200 -8.246 780 HD11 ILE 102 3HD1 ILE 102 17.878 0.869 -10.187 781 HD12 ILE 102 1HD1 ILE 102 16.960 -0.640 -10.082 782 HD13 ILE 102 2HD1 ILE 102 16.379 0.671 -11.128 783 H GLY 103 H GLY 103 13.525 3.989 -6.074 784 HA2 GLY 103 2HA GLY 103 13.858 4.017 -3.747 785 HA3 GLY 103 3HA GLY 103 15.160 2.856 -3.946 786 H SER 104 H SER 104 16.244 4.137 -2.296 787 HA SER 104 HA SER 104 17.220 6.815 -2.846 788 HB2 SER 104 2HB SER 104 18.087 4.699 -0.844 789 HB3 SER 104 3HB SER 104 18.770 6.333 -0.925 790 HG SER 104 HG SER 104 16.620 7.149 -0.660 791 H LYS 105 H LYS 105 19.272 7.502 -3.398 792 HA LYS 105 HA LYS 105 21.204 5.590 -4.602 793 HB2 LYS 105 2HB LYS 105 21.306 6.909 -6.679 794 HB3 LYS 105 3HB LYS 105 19.722 6.178 -6.437 795 HG2 LYS 105 2HG LYS 105 18.774 8.315 -5.713 796 HG3 LYS 105 3HG LYS 105 20.366 9.089 -5.773 797 HD2 LYS 105 2HD LYS 105 20.479 8.755 -8.204 798 HD3 LYS 105 3HD LYS 105 18.923 7.891 -8.180 799 HE2 LYS 105 2HE LYS 105 17.788 9.899 -7.325 800 HE3 LYS 105 3HE LYS 105 19.327 10.767 -7.241 801 HZ1 LYS 105 3HZ LYS 105 19.504 10.704 -9.617 802 HZ2 LYS 105 1HZ LYS 105 18.164 9.749 -9.779 803 HZ3 LYS 105 2HZ LYS 105 18.047 11.297 -9.251 804 H ALA 106 H ALA 106 23.244 6.515 -5.149 805 HA ALA 106 HA ALA 106 24.099 8.716 -3.339 806 HB1 ALA 106 1HB ALA 106 25.722 6.532 -4.702 807 HB2 ALA 106 2HB ALA 106 26.317 7.707 -3.510 808 HB3 ALA 106 3HB ALA 106 25.126 6.489 -3.025 809 H GLU 107 H GLU 107 22.850 8.970 -6.143 810 HA GLU 107 HA GLU 107 24.921 10.709 -7.415 811 HB2 GLU 107 2HB GLU 107 23.090 8.700 -8.794 812 HB3 GLU 107 3HB GLU 107 24.102 9.892 -9.617 813 HG2 GLU 107 2HG GLU 107 26.130 8.865 -8.580 814 HG3 GLU 107 3HG GLU 107 25.112 7.609 -7.872 815 H LYS 108 H LYS 108 23.967 12.180 -9.063 816 HA LYS 108 HA LYS 108 21.875 13.825 -7.972 817 HB2 LYS 108 2HB LYS 108 23.183 13.801 -10.725 818 HB3 LYS 108 3HB LYS 108 22.083 15.053 -10.137 819 HG2 LYS 108 2HG LYS 108 23.642 15.563 -8.267 820 HG3 LYS 108 3HG LYS 108 24.779 14.349 -8.886 821 HD2 LYS 108 2HD LYS 108 24.960 15.603 -11.022 822 HD3 LYS 108 3HD LYS 108 23.833 16.827 -10.394 823 HE2 LYS 108 2HE LYS 108 25.403 17.307 -8.526 824 HE3 LYS 108 3HE LYS 108 26.522 16.090 -9.149 825 HZ1 LYS 108 3HZ LYS 108 25.706 18.552 -10.601 826 HZ2 LYS 108 1HZ LYS 108 27.148 18.319 -9.876 827 HZ3 LYS 108 2HZ LYS 108 26.741 17.426 -11.178
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