NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
8677 | 1mp1 | 5162 | cing | recoord | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H SER 24 H SER 24 -9.058 -8.977 -14.510 2 HA SER 24 HA SER 24 -8.311 -8.004 -11.915 3 2HB SER 24 2HB SER 24 -10.789 -7.623 -12.041 4 HG SER 24 HG SER 24 -11.842 -9.968 -11.706 5 H HIS 25 H HIS 25 -6.974 -9.538 -11.021 6 HA HIS 25 HA HIS 25 -6.782 -12.075 -12.327 7 2HB HIS 25 2HB HIS 25 -4.980 -12.405 -10.522 8 HD1 HIS 25 1HD HIS 25 -5.698 -11.021 -13.669 9 HD2 HIS 25 2HD HIS 25 -2.448 -10.618 -11.047 10 HE1 HIS 25 1HE HIS 25 -3.734 -10.211 -15.083 11 H MET 26 H MET 26 -7.599 -10.894 -8.993 12 HA MET 26 HA MET 26 -9.314 -13.205 -8.750 13 2HB MET 26 2HB MET 26 -7.340 -14.067 -7.670 14 2HG MET 26 2HG MET 26 -6.272 -12.542 -5.792 15 1HE MET 26 1HE MET 26 -4.749 -10.390 -6.594 16 2HE MET 26 2HE MET 26 -3.522 -10.699 -7.846 17 3HE MET 26 3HE MET 26 -5.056 -9.908 -8.280 18 H GLN 27 H GLN 27 -11.286 -12.498 -8.059 19 HA GLN 27 HA GLN 27 -11.426 -9.862 -6.942 20 2HB GLN 27 2HB GLN 27 -13.021 -10.610 -8.702 21 2HG GLN 27 2HG GLN 27 -13.150 -13.016 -7.743 22 1HE2 GLN 27 1HE2 GLN 27 -15.608 -10.751 -6.496 23 2HE2 GLN 27 2HE2 GLN 27 -15.875 -11.534 -4.974 24 H LEU 28 H LEU 28 -12.304 -9.331 -4.860 25 HA LEU 28 HA LEU 28 -13.182 -11.369 -3.094 26 2HB LEU 28 2HB LEU 28 -10.969 -12.044 -2.851 27 HG LEU 28 HG LEU 28 -9.108 -10.530 -2.198 28 1HD1 LEU 28 1HD1 LEU 28 -9.985 -9.625 -4.911 29 2HD1 LEU 28 2HD1 LEU 28 -8.398 -10.207 -4.353 30 3HD1 LEU 28 3HD1 LEU 28 -9.727 -11.361 -4.619 31 1HD2 LEU 28 1HD2 LEU 28 -9.203 -8.203 -2.354 32 2HD2 LEU 28 2HD2 LEU 28 -10.721 -8.229 -3.285 33 3HD2 LEU 28 3HD2 LEU 28 -10.732 -8.643 -1.553 34 H LYS 29 H LYS 29 -12.811 -10.122 -0.648 35 HA LYS 29 HA LYS 29 -14.231 -7.610 -1.135 36 2HB LYS 29 2HB LYS 29 -14.182 -9.450 1.274 37 2HG LYS 29 2HG LYS 29 -15.596 -6.799 0.741 38 2HD LYS 29 2HD LYS 29 -16.419 -7.507 3.231 39 2HE LYS 29 2HE LYS 29 -17.721 -8.292 0.582 40 1HZ LYS 29 1HZ LYS 29 -18.697 -9.431 2.462 41 2HZ LYS 29 2HZ LYS 29 -18.908 -8.019 3.257 42 3HZ LYS 29 3HZ LYS 29 -19.727 -8.308 1.875 43 H PHE 30 H PHE 30 -13.654 -5.694 0.048 44 HA PHE 30 HA PHE 30 -10.908 -5.819 1.083 45 2HB PHE 30 2HB PHE 30 -10.542 -4.312 -0.642 46 HD1 PHE 30 1HD PHE 30 -13.975 -3.015 -0.178 47 HD2 PHE 30 2HD PHE 30 -11.339 -5.204 -2.682 48 HE1 PHE 30 1HE PHE 30 -15.678 -2.958 -2.022 49 HE2 PHE 30 2HE PHE 30 -13.042 -5.148 -4.525 50 HZ PHE 30 HZ PHE 30 -15.191 -4.025 -4.172 51 H ALA 31 H ALA 31 -10.760 -3.189 2.083 52 HA ALA 31 HA ALA 31 -12.521 -3.465 4.384 53 1HB ALA 31 1HB ALA 31 -9.846 -2.979 4.170 54 2HB ALA 31 2HB ALA 31 -10.471 -1.315 4.268 55 3HB ALA 31 3HB ALA 31 -10.837 -2.480 5.563 56 H GLU 32 H GLU 32 -12.683 -0.818 5.258 57 HA GLU 32 HA GLU 32 -14.355 0.287 3.146 58 2HB GLU 32 2HB GLU 32 -15.453 1.540 5.097 59 2HG GLU 32 2HG GLU 32 -15.755 -1.325 5.818 60 H CYS 33 H CYS 33 -11.801 0.988 5.569 61 HA CYS 33 HA CYS 33 -11.675 3.717 5.278 62 2HB CYS 33 2HB CYS 33 -10.455 2.601 7.030 63 HG CYS 33 HG CYS 33 -9.935 0.618 4.816 64 H LEU 34 H LEU 34 -10.961 1.131 3.044 65 HA LEU 34 HA LEU 34 -9.001 2.424 1.495 66 2HB LEU 34 2HB LEU 34 -9.405 0.709 -0.108 67 HG LEU 34 HG LEU 34 -10.107 -0.782 2.399 68 1HD1 LEU 34 1HD1 LEU 34 -8.513 -1.287 -0.091 69 2HD1 LEU 34 2HD1 LEU 34 -8.147 -2.194 1.396 70 3HD1 LEU 34 3HD1 LEU 34 -9.774 -2.279 0.680 71 1HD2 LEU 34 1HD2 LEU 34 -7.787 -0.657 3.170 72 2HD2 LEU 34 2HD2 LEU 34 -7.413 0.502 1.872 73 3HD2 LEU 34 3HD2 LEU 34 -8.560 0.947 3.158 74 H GLU 35 H GLU 35 -12.270 3.176 2.087 75 HA GLU 35 HA GLU 35 -12.634 4.303 -0.549 76 2HB GLU 35 2HB GLU 35 -14.943 4.657 0.102 77 2HG GLU 35 2HG GLU 35 -14.570 2.100 1.576 78 H LYS 36 H LYS 36 -10.636 5.272 1.581 79 HA LYS 36 HA LYS 36 -11.739 7.874 2.239 80 2HB LYS 36 2HB LYS 36 -9.379 8.079 3.307 81 2HG LYS 36 2HG LYS 36 -10.423 5.999 4.919 82 2HD LYS 36 2HD LYS 36 -10.209 8.907 4.920 83 2HE LYS 36 2HE LYS 36 -12.837 8.374 4.928 84 1HZ LYS 36 1HZ LYS 36 -11.862 7.351 7.409 85 2HZ LYS 36 2HZ LYS 36 -13.091 8.414 7.581 86 3HZ LYS 36 3HZ LYS 36 -13.288 7.080 6.657 87 H LYS 37 H LYS 37 -10.276 6.379 -0.413 88 HA LYS 37 HA LYS 37 -9.227 7.107 -2.217 89 2HB LYS 37 2HB LYS 37 -9.783 9.484 -2.928 90 2HG LYS 37 2HG LYS 37 -11.367 7.148 -2.798 91 2HD LYS 37 2HD LYS 37 -12.623 9.354 -1.311 92 2HE LYS 37 2HE LYS 37 -14.847 8.400 -2.722 93 1HZ LYS 37 1HZ LYS 37 -13.549 10.819 -2.245 94 2HZ LYS 37 2HZ LYS 37 -14.074 10.816 -3.791 95 3HZ LYS 37 3HZ LYS 37 -15.129 10.562 -2.571 96 H VAL 38 H VAL 38 -7.615 8.949 -3.089 97 HA VAL 38 HA VAL 38 -6.026 10.089 -0.978 98 HB VAL 38 HB VAL 38 -3.981 8.912 -1.619 99 1HG1 VAL 38 1HG1 VAL 38 -5.372 8.123 0.287 100 2HG1 VAL 38 2HG1 VAL 38 -6.172 6.971 -0.810 101 3HG1 VAL 38 3HG1 VAL 38 -4.430 6.819 -0.478 102 1HG2 VAL 38 1HG2 VAL 38 -5.839 7.452 -3.494 103 2HG2 VAL 38 2HG2 VAL 38 -4.262 8.207 -3.830 104 3HG2 VAL 38 3HG2 VAL 38 -4.343 6.690 -2.903 105 H ASP 39 H ASP 39 -3.707 10.612 -2.511 106 HA ASP 39 HA ASP 39 -4.437 11.500 -5.078 107 2HB ASP 39 2HB ASP 39 -3.676 13.824 -3.344 108 H MET 40 H MET 40 -2.446 10.470 -5.690 109 HA MET 40 HA MET 40 -0.093 10.719 -4.259 110 2HB MET 40 2HB MET 40 0.944 9.848 -6.394 111 2HG MET 40 2HG MET 40 -0.758 7.909 -6.761 112 1HE MET 40 1HE MET 40 -1.320 9.086 -3.427 113 2HE MET 40 2HE MET 40 -0.517 7.884 -2.388 114 3HE MET 40 3HE MET 40 0.330 9.386 -2.832 115 H SER 41 H SER 41 -1.696 12.894 -6.507 116 HA SER 41 HA SER 41 0.627 14.280 -7.281 117 2HB SER 41 2HB SER 41 -1.894 15.821 -7.324 118 HG SER 41 HG SER 41 -1.041 14.996 -9.769 119 H LYS 42 H LYS 42 -0.950 13.999 -4.308 120 HA LYS 42 HA LYS 42 -0.048 16.676 -3.498 121 2HB LYS 42 2HB LYS 42 -1.834 16.861 -2.009 122 2HG LYS 42 2HG LYS 42 -3.896 16.167 -3.339 123 2HD LYS 42 2HD LYS 42 -2.018 17.327 -5.363 124 2HE LYS 42 2HE LYS 42 -3.818 19.171 -5.204 125 1HZ LYS 42 1HZ LYS 42 -5.265 16.783 -5.781 126 2HZ LYS 42 2HZ LYS 42 -4.907 18.045 -6.754 127 3HZ LYS 42 3HZ LYS 42 -3.814 16.852 -6.527 128 H VAL 43 H VAL 43 -0.216 13.168 -2.791 129 HA VAL 43 HA VAL 43 1.767 13.615 -0.670 130 HB VAL 43 HB VAL 43 0.247 12.471 0.494 131 1HG1 VAL 43 1HG1 VAL 43 -0.872 11.239 -2.047 132 2HG1 VAL 43 2HG1 VAL 43 -1.608 11.197 -0.427 133 3HG1 VAL 43 3HG1 VAL 43 -1.452 12.744 -1.292 134 1HG2 VAL 43 1HG2 VAL 43 2.010 10.825 0.342 135 2HG2 VAL 43 2HG2 VAL 43 0.439 9.989 0.320 136 3HG2 VAL 43 3HG2 VAL 43 1.355 10.202 -1.191 137 H ASN 44 H ASN 44 3.618 12.168 -0.587 138 HA ASN 44 HA ASN 44 4.435 11.484 -3.251 139 2HB ASN 44 2HB ASN 44 6.568 10.770 -1.712 140 1HD2 ASN 44 1HD2 ASN 44 8.023 12.784 -1.106 141 2HD2 ASN 44 2HD2 ASN 44 8.046 14.045 -2.292 142 H LEU 45 H LEU 45 4.497 9.344 -4.010 143 HA LEU 45 HA LEU 45 3.643 7.284 -2.147 144 2HB LEU 45 2HB LEU 45 2.887 7.875 -4.682 145 HG LEU 45 HG LEU 45 3.527 6.100 -6.169 146 1HD1 LEU 45 1HD1 LEU 45 5.157 7.366 -6.978 147 2HD1 LEU 45 2HD1 LEU 45 5.224 8.225 -5.422 148 3HD1 LEU 45 3HD1 LEU 45 6.274 6.817 -5.707 149 1HD2 LEU 45 1HD2 LEU 45 4.536 4.210 -5.565 150 2HD2 LEU 45 2HD2 LEU 45 5.864 5.081 -4.762 151 3HD2 LEU 45 3HD2 LEU 45 4.352 4.756 -3.881 152 H GLU 46 H GLU 46 6.489 8.485 -3.833 153 HA GLU 46 HA GLU 46 7.958 6.163 -3.928 154 2HB GLU 46 2HB GLU 46 9.736 8.322 -3.335 155 2HG GLU 46 2HG GLU 46 9.327 8.179 -6.141 156 H VAL 47 H VAL 47 7.341 8.466 -1.252 157 HA VAL 47 HA VAL 47 9.301 7.375 0.475 158 HB VAL 47 HB VAL 47 8.015 8.652 2.199 159 1HG1 VAL 47 1HG1 VAL 47 9.652 10.027 1.459 160 2HG1 VAL 47 2HG1 VAL 47 9.256 9.755 -0.255 161 3HG1 VAL 47 3HG1 VAL 47 8.299 10.906 0.708 162 1HG2 VAL 47 1HG2 VAL 47 5.911 9.298 1.847 163 2HG2 VAL 47 2HG2 VAL 47 6.401 10.210 0.399 164 3HG2 VAL 47 3HG2 VAL 47 5.948 8.494 0.260 165 H ILE 48 H ILE 48 6.478 6.061 -0.821 166 HA ILE 48 HA ILE 48 6.049 4.419 1.576 167 HB ILE 48 HB ILE 48 4.082 4.405 -0.637 168 2HG1 ILE 48 2HG1 ILE 48 3.047 6.481 -0.037 169 1HG2 ILE 48 1HG2 ILE 48 3.768 3.041 1.362 170 2HG2 ILE 48 2HG2 ILE 48 3.846 4.497 2.383 171 3HG2 ILE 48 3HG2 ILE 48 2.505 4.288 1.232 172 1HD1 ILE 48 1HD1 ILE 48 5.329 6.771 1.971 173 2HD1 ILE 48 2HD1 ILE 48 4.166 8.053 1.556 174 3HD1 ILE 48 3HD1 ILE 48 3.605 6.569 2.361 175 H LYS 49 H LYS 49 7.591 4.532 -1.435 176 HA LYS 49 HA LYS 49 7.029 2.039 -2.513 177 2HB LYS 49 2HB LYS 49 9.789 2.784 -2.919 178 2HG LYS 49 2HG LYS 49 8.582 1.653 -4.656 179 2HD LYS 49 2HD LYS 49 6.565 3.376 -5.560 180 2HE LYS 49 2HE LYS 49 6.733 0.751 -4.151 181 1HZ LYS 49 1HZ LYS 49 4.606 2.532 -3.674 182 2HZ LYS 49 2HZ LYS 49 4.072 1.207 -4.465 183 3HZ LYS 49 3HZ LYS 49 4.866 1.047 -3.046 184 HA PRO 50 HA PRO 50 10.461 0.449 0.331 185 2HB PRO 50 2HB PRO 50 12.146 1.919 0.880 186 2HG PRO 50 2HG PRO 50 11.592 4.147 0.651 187 2HD PRO 50 2HD PRO 50 9.903 3.989 -0.901 188 H TRP 51 H TRP 51 7.911 2.343 1.683 189 HA TRP 51 HA TRP 51 7.678 0.740 4.027 190 2HB TRP 51 2HB TRP 51 5.697 2.638 2.756 191 HD1 TRP 51 HD TRP 51 6.380 2.904 6.443 192 HE1 TRP 51 1HE TRP 51 4.362 2.052 7.915 193 HE3 TRP 51 3HE TRP 51 3.842 0.703 2.626 194 HZ2 TRP 51 2HZ TRP 51 1.984 0.587 7.331 195 HZ3 TRP 51 3HZ TRP 51 1.680 -0.417 3.163 196 HH2 TRP 51 HH TRP 51 0.746 -0.497 5.419 197 H ILE 52 H ILE 52 6.010 0.982 0.817 198 HA ILE 52 HA ILE 52 4.232 -1.149 1.380 199 HB ILE 52 HB ILE 52 4.931 0.578 -0.919 200 2HG1 ILE 52 2HG1 ILE 52 2.835 0.322 0.947 201 1HG2 ILE 52 1HG2 ILE 52 3.751 -2.184 -1.241 202 2HG2 ILE 52 2HG2 ILE 52 3.459 -0.870 -2.406 203 3HG2 ILE 52 3HG2 ILE 52 5.117 -1.446 -2.111 204 1HD1 ILE 52 1HD1 ILE 52 2.440 1.930 -1.550 205 2HD1 ILE 52 2HD1 ILE 52 2.288 2.421 0.154 206 3HD1 ILE 52 3HD1 ILE 52 3.899 2.283 -0.593 207 H THR 53 H THR 53 7.283 -0.862 -0.564 208 HA THR 53 HA THR 53 7.383 -3.530 -1.357 209 HB THR 53 HB THR 53 9.622 -1.511 -0.803 210 HG1 THR 53 1HG THR 53 8.008 -2.287 -3.131 211 1HG2 THR 53 1HG2 THR 53 10.952 -3.275 -1.463 212 2HG2 THR 53 2HG2 THR 53 9.555 -4.228 -2.019 213 3HG2 THR 53 3HG2 THR 53 10.257 -2.979 -3.075 214 H LYS 54 H LYS 54 8.422 -1.945 1.683 215 HA LYS 54 HA LYS 54 9.729 -4.294 2.627 216 2HB LYS 54 2HB LYS 54 8.854 -1.754 4.034 217 2HG LYS 54 2HG LYS 54 11.011 -3.652 4.985 218 2HD LYS 54 2HD LYS 54 9.392 -1.363 6.058 219 2HE LYS 54 2HE LYS 54 10.607 -3.372 7.981 220 1HZ LYS 54 1HZ LYS 54 10.106 -1.535 9.140 221 2HZ LYS 54 2HZ LYS 54 8.966 -1.005 8.097 222 3HZ LYS 54 3HZ LYS 54 8.607 -2.182 9.172 223 H ARG 55 H ARG 55 6.477 -2.807 2.936 224 HA ARG 55 HA ARG 55 5.611 -4.508 4.947 225 2HB ARG 55 2HB ARG 55 3.297 -3.866 3.560 226 2HG ARG 55 2HG ARG 55 3.248 -1.796 4.995 227 2HD ARG 55 2HD ARG 55 4.269 -3.390 7.101 228 HE ARG 55 HE ARG 55 1.624 -2.731 6.026 229 1HH1 ARG 55 2HH2 ARG 55 3.362 -4.569 8.472 230 2HH1 ARG 55 1HH2 ARG 55 2.008 -4.659 9.549 231 1HH2 ARG 55 2HH1 ARG 55 -0.162 -2.850 7.446 232 2HH2 ARG 55 1HH1 ARG 55 -0.010 -3.674 8.961 233 H VAL 56 H VAL 56 5.217 -4.596 1.334 234 HA VAL 56 HA VAL 56 3.742 -6.970 1.272 235 HB VAL 56 HB VAL 56 4.476 -7.016 -1.110 236 1HG1 VAL 56 1HG1 VAL 56 3.663 -4.193 -0.500 237 2HG1 VAL 56 2HG1 VAL 56 3.031 -5.324 -1.720 238 3HG1 VAL 56 3HG1 VAL 56 2.595 -5.528 -0.008 239 1HG2 VAL 56 1HG2 VAL 56 6.520 -6.133 -1.480 240 2HG2 VAL 56 2HG2 VAL 56 5.634 -4.593 -1.599 241 3HG2 VAL 56 3HG2 VAL 56 6.423 -5.051 -0.070 242 H THR 57 H THR 57 7.268 -6.272 1.277 243 HA THR 57 HA THR 57 8.036 -8.955 0.768 244 HB THR 57 HB THR 57 9.487 -6.552 1.998 245 HG1 THR 57 1HG THR 57 8.510 -6.583 -0.281 246 1HG2 THR 57 1HG2 THR 57 10.851 -8.755 0.450 247 2HG2 THR 57 2HG2 THR 57 11.511 -7.696 1.720 248 3HG2 THR 57 3HG2 THR 57 10.468 -9.070 2.160 249 H GLU 58 H GLU 58 7.471 -7.036 3.756 250 HA GLU 58 HA GLU 58 8.395 -9.123 5.410 251 2HB GLU 58 2HB GLU 58 6.967 -7.647 7.136 252 2HG GLU 58 2HG GLU 58 9.224 -6.064 6.007 253 H ILE 59 H ILE 59 5.328 -8.289 3.860 254 HA ILE 59 HA ILE 59 3.569 -9.624 5.532 255 HB ILE 59 HB ILE 59 3.602 -8.817 2.661 256 2HG1 ILE 59 2HG1 ILE 59 3.037 -7.381 4.784 257 1HG2 ILE 59 1HG2 ILE 59 2.483 -10.820 2.304 258 2HG2 ILE 59 2HG2 ILE 59 1.694 -10.786 3.898 259 3HG2 ILE 59 3HG2 ILE 59 1.158 -9.673 2.617 260 1HD1 ILE 59 1HD1 ILE 59 0.910 -6.568 3.222 261 2HD1 ILE 59 2HD1 ILE 59 2.606 -6.114 2.932 262 3HD1 ILE 59 3HD1 ILE 59 1.889 -7.483 2.049 263 H LEU 60 H LEU 60 5.520 -10.820 2.730 264 HA LEU 60 HA LEU 60 4.693 -13.531 3.445 265 2HB LEU 60 2HB LEU 60 4.584 -13.862 1.278 266 HG LEU 60 HG LEU 60 4.416 -11.205 1.217 267 1HD1 LEU 60 1HD1 LEU 60 6.997 -11.773 -0.268 268 2HD1 LEU 60 2HD1 LEU 60 6.069 -10.255 -0.353 269 3HD1 LEU 60 3HD1 LEU 60 6.797 -10.768 1.188 270 1HD2 LEU 60 1HD2 LEU 60 3.786 -11.356 -1.050 271 2HD2 LEU 60 2HD2 LEU 60 4.897 -12.713 -1.356 272 3HD2 LEU 60 3HD2 LEU 60 3.450 -12.958 -0.349 273 H GLY 61 H GLY 61 7.595 -11.452 2.876 274 1HA GLY 61 1HA GLY 61 9.284 -11.781 4.685 275 2HA GLY 61 2HA GLY 61 9.191 -13.490 4.307 276 H PHE 62 H PHE 62 8.654 -12.303 1.334 277 HA PHE 62 HA PHE 62 11.493 -11.836 0.769 278 2HB PHE 62 2HB PHE 62 11.068 -14.100 0.057 279 HD1 PHE 62 1HD PHE 62 9.246 -15.264 1.069 280 HD2 PHE 62 2HD PHE 62 8.548 -12.691 -2.232 281 HE1 PHE 62 1HE PHE 62 6.931 -16.204 0.824 282 HE2 PHE 62 2HE PHE 62 6.234 -13.631 -2.476 283 HZ PHE 62 HZ PHE 62 5.452 -15.376 -0.946 284 H GLU 63 H GLU 63 11.915 -10.595 -1.208 285 HA GLU 63 HA GLU 63 10.011 -8.537 -1.497 286 2HB GLU 63 2HB GLU 63 12.422 -9.009 -3.287 287 2HG GLU 63 2HG GLU 63 10.999 -6.517 -2.239 288 H ASP 64 H ASP 64 8.153 -8.759 -2.666 289 HA ASP 64 HA ASP 64 7.943 -10.774 -4.622 290 2HB ASP 64 2HB ASP 64 5.662 -10.071 -4.824 291 H ASP 65 H ASP 65 6.172 -9.039 -6.417 292 HA ASP 65 HA ASP 65 7.792 -6.989 -7.440 293 2HB ASP 65 2HB ASP 65 7.616 -8.624 -9.749 294 H VAL 66 H VAL 66 5.370 -9.585 -8.222 295 HA VAL 66 HA VAL 66 3.906 -8.047 -10.061 296 HB VAL 66 HB VAL 66 4.010 -10.646 -9.332 297 1HG1 VAL 66 1HG1 VAL 66 1.771 -11.263 -8.427 298 2HG1 VAL 66 2HG1 VAL 66 2.781 -10.373 -7.264 299 3HG1 VAL 66 3HG1 VAL 66 1.458 -9.540 -8.115 300 1HG2 VAL 66 1HG2 VAL 66 1.473 -9.645 -10.594 301 2HG2 VAL 66 2HG2 VAL 66 3.033 -9.365 -11.405 302 3HG2 VAL 66 3HG2 VAL 66 2.502 -11.025 -11.046 303 H VAL 67 H VAL 67 3.608 -8.629 -6.511 304 HA VAL 67 HA VAL 67 1.232 -7.094 -6.288 305 HB VAL 67 HB VAL 67 1.295 -7.662 -4.087 306 1HG1 VAL 67 1HG1 VAL 67 1.889 -9.911 -3.914 307 2HG1 VAL 67 2HG1 VAL 67 1.726 -9.679 -5.672 308 3HG1 VAL 67 3HG1 VAL 67 3.341 -9.711 -4.924 309 1HG2 VAL 67 1HG2 VAL 67 3.197 -6.376 -3.391 310 2HG2 VAL 67 2HG2 VAL 67 3.416 -8.036 -2.784 311 3HG2 VAL 67 3HG2 VAL 67 4.320 -7.484 -4.213 312 H ILE 68 H ILE 68 4.755 -6.469 -5.858 313 HA ILE 68 HA ILE 68 4.468 -3.893 -4.815 314 HB ILE 68 HB ILE 68 6.723 -5.109 -6.417 315 2HG1 ILE 68 2HG1 ILE 68 5.940 -6.348 -4.333 316 1HG2 ILE 68 1HG2 ILE 68 8.104 -3.430 -5.134 317 2HG2 ILE 68 2HG2 ILE 68 7.048 -2.760 -6.399 318 3HG2 ILE 68 3HG2 ILE 68 6.576 -2.633 -4.687 319 1HD1 ILE 68 1HD1 ILE 68 8.381 -6.159 -5.400 320 2HD1 ILE 68 2HD1 ILE 68 8.726 -5.285 -3.887 321 3HD1 ILE 68 3HD1 ILE 68 8.133 -6.962 -3.831 322 H GLU 69 H GLU 69 4.878 -5.098 -8.206 323 HA GLU 69 HA GLU 69 4.980 -2.630 -9.392 324 2HB GLU 69 2HB GLU 69 3.631 -4.280 -11.225 325 2HG GLU 69 2HG GLU 69 6.559 -4.728 -10.983 326 H PHE 70 H PHE 70 2.160 -4.647 -8.417 327 HA PHE 70 HA PHE 70 0.180 -3.196 -9.681 328 2HB PHE 70 2HB PHE 70 -0.944 -4.054 -7.292 329 HD1 PHE 70 1HD PHE 70 -1.578 -4.042 -10.193 330 HD2 PHE 70 2HD PHE 70 -0.177 -7.170 -7.692 331 HE1 PHE 70 1HE PHE 70 -2.639 -5.733 -11.714 332 HE2 PHE 70 2HE PHE 70 -1.237 -8.862 -9.214 333 HZ PHE 70 HZ PHE 70 -2.455 -8.123 -11.207 334 H ILE 71 H ILE 71 1.655 -2.761 -6.400 335 HA ILE 71 HA ILE 71 -0.027 -0.559 -5.777 336 HB ILE 71 HB ILE 71 2.554 -1.523 -4.537 337 2HG1 ILE 71 2HG1 ILE 71 -0.031 -2.698 -4.592 338 1HG2 ILE 71 1HG2 ILE 71 0.674 0.686 -3.850 339 2HG2 ILE 71 2HG2 ILE 71 1.341 -0.289 -2.519 340 3HG2 ILE 71 3HG2 ILE 71 2.436 0.562 -3.634 341 1HD1 ILE 71 1HD1 ILE 71 1.839 -3.528 -2.447 342 2HD1 ILE 71 2HD1 ILE 71 1.161 -4.474 -3.794 343 3HD1 ILE 71 3HD1 ILE 71 2.582 -3.434 -4.062 344 H PHE 72 H PHE 72 3.331 -0.964 -7.036 345 HA PHE 72 HA PHE 72 3.973 1.753 -6.987 346 2HB PHE 72 2HB PHE 72 4.980 -0.045 -9.190 347 HD1 PHE 72 1HD PHE 72 7.526 -0.599 -7.392 348 HD2 PHE 72 2HD PHE 72 5.387 2.893 -8.508 349 HE1 PHE 72 1HE PHE 72 9.610 0.770 -7.102 350 HE2 PHE 72 2HE PHE 72 7.471 4.261 -8.218 351 HZ PHE 72 HZ PHE 72 9.557 3.184 -7.518 352 H ASN 73 H ASN 73 2.635 -0.359 -9.615 353 HA ASN 73 HA ASN 73 2.618 1.631 -11.532 354 2HB ASN 73 2HB ASN 73 0.630 0.081 -12.444 355 1HD2 ASN 73 1HD2 ASN 73 3.502 -1.383 -10.949 356 2HD2 ASN 73 2HD2 ASN 73 4.382 -1.692 -12.409 357 H GLN 74 H GLN 74 0.265 0.565 -9.020 358 HA GLN 74 HA GLN 74 -1.820 2.206 -9.984 359 2HB GLN 74 2HB GLN 74 -2.678 1.693 -7.521 360 2HG GLN 74 2HG GLN 74 -3.781 0.554 -9.278 361 1HE2 GLN 74 1HE2 GLN 74 -2.181 -2.290 -9.388 362 2HE2 GLN 74 2HE2 GLN 74 -1.348 -2.164 -10.903 363 H LEU 75 H LEU 75 0.796 2.514 -7.550 364 HA LEU 75 HA LEU 75 -0.231 5.003 -6.560 365 2HB LEU 75 2HB LEU 75 2.050 5.001 -5.401 366 HG LEU 75 HG LEU 75 0.497 2.483 -4.810 367 1HD1 LEU 75 1HD1 LEU 75 2.167 4.400 -3.177 368 2HD1 LEU 75 2HD1 LEU 75 1.071 3.204 -2.443 369 3HD1 LEU 75 3HD1 LEU 75 2.426 2.662 -3.462 370 1HD2 LEU 75 1HD2 LEU 75 -0.875 4.033 -3.270 371 2HD2 LEU 75 2HD2 LEU 75 -0.344 5.338 -4.357 372 3HD2 LEU 75 3HD2 LEU 75 -1.284 3.971 -5.002 373 H GLU 76 H GLU 76 1.079 4.123 -9.477 374 HA GLU 76 HA GLU 76 2.864 6.359 -9.700 375 2HB GLU 76 2HB GLU 76 2.717 5.415 -12.233 376 2HG GLU 76 2HG GLU 76 4.229 3.438 -10.803 377 H VAL 77 H VAL 77 -0.458 5.970 -9.710 378 HA VAL 77 HA VAL 77 -0.873 7.951 -11.825 379 HB VAL 77 HB VAL 77 -3.126 7.253 -11.863 380 1HG1 VAL 77 1HG1 VAL 77 -1.160 4.977 -11.646 381 2HG1 VAL 77 2HG1 VAL 77 -2.874 4.675 -12.017 382 3HG1 VAL 77 3HG1 VAL 77 -1.896 5.697 -13.098 383 1HG2 VAL 77 1HG2 VAL 77 -4.274 6.529 -10.088 384 2HG2 VAL 77 2HG2 VAL 77 -3.150 5.173 -9.834 385 3HG2 VAL 77 3HG2 VAL 77 -2.796 6.766 -9.124 386 H LYS 78 H LYS 78 -3.184 9.194 -10.951 387 HA LYS 78 HA LYS 78 -2.152 10.634 -8.621 388 2HB LYS 78 2HB LYS 78 -3.587 12.481 -9.401 389 2HG LYS 78 2HG LYS 78 -1.167 11.792 -10.389 390 2HD LYS 78 2HD LYS 78 -2.759 12.101 -12.945 391 2HE LYS 78 2HE LYS 78 -0.326 10.391 -12.763 392 1HZ LYS 78 1HZ LYS 78 -0.984 10.917 -14.869 393 2HZ LYS 78 2HZ LYS 78 -1.432 12.444 -14.505 394 3HZ LYS 78 3HZ LYS 78 0.152 12.065 -14.624 395 H ASN 79 H ASN 79 -4.579 8.401 -9.696 396 HA ASN 79 HA ASN 79 -5.825 8.674 -7.099 397 2HB ASN 79 2HB ASN 79 -7.892 7.977 -8.991 398 1HD2 ASN 79 1HD2 ASN 79 -6.413 10.930 -7.642 399 2HD2 ASN 79 2HD2 ASN 79 -7.740 11.397 -6.630 400 HA PRO 80 HA PRO 80 -4.960 4.370 -8.177 401 2HB PRO 80 2HB PRO 80 -3.039 4.177 -6.922 402 2HG PRO 80 2HG PRO 80 -2.650 5.934 -5.480 403 2HD PRO 80 2HD PRO 80 -3.842 7.596 -6.531 404 H ASP 81 H ASP 81 -5.993 2.343 -7.794 405 HA ASP 81 HA ASP 81 -8.527 2.871 -6.491 406 2HB ASP 81 2HB ASP 81 -7.619 0.619 -8.344 407 H SER 82 H SER 82 -8.106 2.440 -4.263 408 HA SER 82 HA SER 82 -6.356 0.617 -3.287 409 2HB SER 82 2HB SER 82 -7.394 2.277 -1.855 410 HG SER 82 HG SER 82 -9.505 2.594 -1.847 411 H LYS 83 H LYS 83 -9.614 0.141 -4.621 412 HA LYS 83 HA LYS 83 -10.179 -2.348 -3.515 413 2HB LYS 83 2HB LYS 83 -11.783 -2.558 -5.352 414 2HG LYS 83 2HG LYS 83 -12.977 -0.381 -5.022 415 2HD LYS 83 2HD LYS 83 -11.629 -1.200 -2.415 416 2HE LYS 83 2HE LYS 83 -13.331 0.703 -2.458 417 1HZ LYS 83 1HZ LYS 83 -15.481 -1.143 -2.685 418 2HZ LYS 83 2HZ LYS 83 -15.322 0.350 -3.327 419 3HZ LYS 83 3HZ LYS 83 -14.679 -0.941 -4.094 420 H MET 84 H MET 84 -8.462 -1.431 -6.569 421 HA MET 84 HA MET 84 -8.014 -4.093 -7.308 422 2HB MET 84 2HB MET 84 -5.976 -2.498 -8.464 423 2HG MET 84 2HG MET 84 -7.999 -2.143 -10.238 424 1HE MET 84 1HE MET 84 -7.995 -5.493 -8.774 425 2HE MET 84 2HE MET 84 -6.937 -6.502 -9.790 426 3HE MET 84 3HE MET 84 -6.242 -5.535 -8.467 427 H MET 85 H MET 85 -6.256 -1.752 -5.268 428 HA MET 85 HA MET 85 -3.809 -3.049 -5.270 429 2HB MET 85 2HB MET 85 -4.577 -1.773 -2.702 430 2HG MET 85 2HG MET 85 -2.226 -2.008 -3.723 431 1HE MET 85 1HE MET 85 -3.868 1.547 -5.681 432 2HE MET 85 2HE MET 85 -3.065 1.405 -4.099 433 3HE MET 85 3HE MET 85 -2.124 1.874 -5.535 434 H GLN 86 H GLN 86 -6.586 -3.247 -2.932 435 HA GLN 86 HA GLN 86 -5.325 -5.211 -1.381 436 2HB GLN 86 2HB GLN 86 -8.266 -5.209 -1.254 437 2HG GLN 86 2HG GLN 86 -6.853 -3.912 0.945 438 1HE2 GLN 86 1HE2 GLN 86 -7.443 -7.313 0.093 439 2HE2 GLN 86 2HE2 GLN 86 -8.734 -7.602 1.210 440 H ILE 87 H ILE 87 -7.459 -5.254 -4.237 441 HA ILE 87 HA ILE 87 -8.142 -7.989 -4.045 442 HB ILE 87 HB ILE 87 -8.360 -5.820 -6.070 443 2HG1 ILE 87 2HG1 ILE 87 -10.009 -6.593 -4.129 444 1HG2 ILE 87 1HG2 ILE 87 -9.527 -7.926 -7.382 445 2HG2 ILE 87 2HG2 ILE 87 -7.945 -7.209 -7.774 446 3HG2 ILE 87 3HG2 ILE 87 -8.036 -8.659 -6.744 447 1HD1 ILE 87 1HD1 ILE 87 -11.052 -4.879 -5.190 448 2HD1 ILE 87 2HD1 ILE 87 -10.318 -5.313 -6.752 449 3HD1 ILE 87 3HD1 ILE 87 -11.818 -6.110 -6.221 450 H ASN 88 H ASN 88 -5.485 -6.139 -5.607 451 HA ASN 88 HA ASN 88 -4.482 -8.393 -6.951 452 2HB ASN 88 2HB ASN 88 -2.317 -6.767 -6.859 453 1HD2 ASN 88 1HD2 ASN 88 -3.567 -4.333 -8.093 454 2HD2 ASN 88 2HD2 ASN 88 -4.111 -4.822 -9.663 455 H LEU 89 H LEU 89 -3.808 -6.671 -3.847 456 HA LEU 89 HA LEU 89 -1.502 -8.084 -3.152 457 2HB LEU 89 2HB LEU 89 -2.301 -7.373 -0.784 458 HG LEU 89 HG LEU 89 -2.032 -5.050 -2.682 459 1HD1 LEU 89 1HD1 LEU 89 -1.562 -3.851 -0.863 460 2HD1 LEU 89 2HD1 LEU 89 -2.178 -5.232 0.077 461 3HD1 LEU 89 3HD1 LEU 89 -0.433 -5.078 -0.241 462 1HD2 LEU 89 1HD2 LEU 89 -0.021 -7.181 -2.104 463 2HD2 LEU 89 2HD2 LEU 89 -0.299 -6.231 -3.583 464 3HD2 LEU 89 3HD2 LEU 89 0.534 -5.492 -2.194 465 H THR 90 H THR 90 -5.004 -8.685 -2.503 466 HA THR 90 HA THR 90 -4.640 -10.908 -0.853 467 HB THR 90 HB THR 90 -6.916 -10.242 -2.794 468 HG1 THR 90 1HG THR 90 -6.382 -9.599 0.019 469 1HG2 THR 90 1HG2 THR 90 -6.547 -12.253 -0.654 470 2HG2 THR 90 2HG2 THR 90 -7.924 -11.168 -0.345 471 3HG2 THR 90 3HG2 THR 90 -7.857 -12.113 -1.852 472 H GLY 91 H GLY 91 -4.155 -10.505 -4.294 473 1HA GLY 91 1HA GLY 91 -4.562 -13.205 -5.062 474 2HA GLY 91 2HA GLY 91 -3.677 -11.971 -5.936 475 H PHE 92 H PHE 92 -1.987 -11.499 -3.355 476 HA PHE 92 HA PHE 92 -0.277 -13.858 -3.726 477 2HB PHE 92 2HB PHE 92 1.117 -11.537 -2.685 478 HD1 PHE 92 1HD PHE 92 0.177 -12.952 -6.019 479 HD2 PHE 92 2HD PHE 92 3.292 -11.782 -3.386 480 HE1 PHE 92 1HE PHE 92 1.880 -13.737 -7.686 481 HE2 PHE 92 2HE PHE 92 4.996 -12.567 -5.053 482 HZ PHE 92 HZ PHE 92 4.270 -13.536 -7.183 483 H LEU 93 H LEU 93 -1.362 -11.262 -1.449 484 HA LEU 93 HA LEU 93 -0.073 -12.357 0.792 485 2HB LEU 93 2HB LEU 93 -1.381 -10.809 2.061 486 HG LEU 93 HG LEU 93 -1.093 -9.316 -0.533 487 1HD1 LEU 93 1HD1 LEU 93 -0.031 -8.231 1.997 488 2HD1 LEU 93 2HD1 LEU 93 -1.028 -7.465 0.737 489 3HD1 LEU 93 3HD1 LEU 93 -1.791 -8.500 1.967 490 1HD2 LEU 93 1HD2 LEU 93 1.045 -10.739 0.939 491 2HD2 LEU 93 2HD2 LEU 93 0.961 -10.214 -0.760 492 3HD2 LEU 93 3HD2 LEU 93 1.386 -9.045 0.514 493 H ASN 94 H ASN 94 -2.085 -12.574 2.763 494 HA ASN 94 HA ASN 94 -3.083 -15.172 2.019 495 2HB ASN 94 2HB ASN 94 -3.750 -15.146 4.557 496 1HD2 ASN 94 1HD2 ASN 94 -0.619 -13.645 4.350 497 2HD2 ASN 94 2HD2 ASN 94 0.355 -15.075 4.431 498 H GLY 95 H GLY 95 -4.082 -11.901 2.074 499 1HA GLY 95 1HA GLY 95 -6.245 -11.376 1.208 500 2HA GLY 95 2HA GLY 95 -6.924 -12.699 2.137 501 H LYS 96 H LYS 96 -5.723 -12.353 4.666 502 HA LYS 96 HA LYS 96 -7.257 -10.133 5.613 503 2HB LYS 96 2HB LYS 96 -5.513 -11.412 7.568 504 2HG LYS 96 2HG LYS 96 -8.433 -10.859 7.095 505 2HD LYS 96 2HD LYS 96 -8.392 -12.230 9.522 506 2HE LYS 96 2HE LYS 96 -9.122 -13.919 7.198 507 1HZ LYS 96 1HZ LYS 96 -10.089 -14.257 9.305 508 2HZ LYS 96 2HZ LYS 96 -10.553 -12.698 9.450 509 3HZ LYS 96 3HZ LYS 96 -11.272 -13.664 8.348 510 H ASN 97 H ASN 97 -3.824 -10.896 4.989 511 HA ASN 97 HA ASN 97 -2.803 -8.735 6.417 512 2HB ASN 97 2HB ASN 97 -0.980 -9.187 4.344 513 1HD2 ASN 97 1HD2 ASN 97 -0.850 -8.283 6.834 514 2HD2 ASN 97 2HD2 ASN 97 0.010 -9.353 7.889 515 H ALA 98 H ALA 98 -4.189 -9.189 3.164 516 HA ALA 98 HA ALA 98 -3.153 -6.874 1.961 517 1HB ALA 98 1HB ALA 98 -5.827 -7.721 1.076 518 2HB ALA 98 2HB ALA 98 -4.290 -7.678 0.180 519 3HB ALA 98 3HB ALA 98 -4.677 -9.074 1.215 520 H ARG 99 H ARG 99 -6.091 -7.553 3.931 521 HA ARG 99 HA ARG 99 -7.201 -5.030 3.517 522 2HB ARG 99 2HB ARG 99 -7.954 -6.147 6.102 523 2HG ARG 99 2HG ARG 99 -9.555 -6.527 3.569 524 2HD ARG 99 2HD ARG 99 -10.428 -7.096 5.900 525 HE ARG 99 HE ARG 99 -9.753 -4.266 6.367 526 1HH1 ARG 99 2HH2 ARG 99 -11.658 -7.030 7.423 527 2HH1 ARG 99 1HH2 ARG 99 -11.892 -6.417 9.027 528 1HH2 ARG 99 2HH1 ARG 99 -10.061 -3.458 8.482 529 2HH2 ARG 99 1HH1 ARG 99 -10.977 -4.373 9.632 530 H GLU 100 H GLU 100 -4.994 -6.437 5.989 531 HA GLU 100 HA GLU 100 -5.087 -4.156 7.644 532 2HB GLU 100 2HB GLU 100 -2.675 -5.854 7.856 533 2HG GLU 100 2HG GLU 100 -5.023 -5.123 9.661 534 H PHE 101 H PHE 101 -3.021 -5.300 4.950 535 HA PHE 101 HA PHE 101 -0.949 -3.456 5.308 536 2HB PHE 101 2HB PHE 101 -2.176 -4.995 2.954 537 HD1 PHE 101 1HD PHE 101 -2.063 -3.086 1.356 538 HD2 PHE 101 2HD PHE 101 1.397 -4.577 3.308 539 HE1 PHE 101 1HE PHE 101 -0.612 -1.936 -0.339 540 HE2 PHE 101 2HE PHE 101 2.849 -3.429 1.613 541 HZ PHE 101 HZ PHE 101 1.827 -2.122 -0.191 542 H MET 102 H MET 102 -3.934 -3.380 3.247 543 HA MET 102 HA MET 102 -3.334 -0.892 2.137 544 2HB MET 102 2HB MET 102 -6.012 -1.012 1.835 545 2HG MET 102 2HG MET 102 -5.705 -2.622 -0.040 546 1HE MET 102 1HE MET 102 -6.189 -0.580 -1.308 547 2HE MET 102 2HE MET 102 -5.952 0.433 0.137 548 3HE MET 102 3HE MET 102 -5.172 0.878 -1.400 549 H GLY 103 H GLY 103 -4.958 -1.911 5.141 550 1HA GLY 103 1HA GLY 103 -6.086 0.680 5.690 551 2HA GLY 103 2HA GLY 103 -6.041 -0.720 6.744 552 H GLU 104 H GLU 104 -2.953 -0.011 5.346 553 HA GLU 104 HA GLU 104 -2.246 1.550 7.702 554 2HB GLU 104 2HB GLU 104 0.054 0.185 7.351 555 2HG GLU 104 2HG GLU 104 -1.878 -1.552 8.734 556 H LEU 105 H LEU 105 -1.858 0.780 4.267 557 HA LEU 105 HA LEU 105 0.165 2.865 3.998 558 2HB LEU 105 2HB LEU 105 -0.380 0.377 2.702 559 HG LEU 105 HG LEU 105 0.149 1.074 0.377 560 1HD1 LEU 105 1HD1 LEU 105 -2.474 2.311 0.621 561 2HD1 LEU 105 2HD1 LEU 105 -1.995 0.773 -0.137 562 3HD1 LEU 105 3HD1 LEU 105 -2.327 0.837 1.610 563 1HD2 LEU 105 1HD2 LEU 105 -1.029 3.736 0.578 564 2HD2 LEU 105 2HD2 LEU 105 0.507 3.594 1.466 565 3HD2 LEU 105 3HD2 LEU 105 0.439 3.188 -0.265 566 H TRP 106 H TRP 106 -3.213 2.010 3.192 567 HA TRP 106 HA TRP 106 -3.686 4.087 1.388 568 2HB TRP 106 2HB TRP 106 -5.734 2.943 3.276 569 HD1 TRP 106 HD TRP 106 -7.909 4.241 2.650 570 HE1 TRP 106 1HE TRP 106 -9.104 5.184 0.494 571 HE3 TRP 106 3HE TRP 106 -4.205 2.978 -0.596 572 HZ2 TRP 106 2HZ TRP 106 -8.382 5.292 -2.264 573 HZ3 TRP 106 3HZ TRP 106 -4.529 3.538 -3.004 574 HH2 TRP 106 HH TRP 106 -6.531 4.655 -3.853 575 HA PRO 107 HA PRO 107 -4.754 6.474 5.365 576 2HB PRO 107 2HB PRO 107 -5.418 5.234 7.189 577 2HG PRO 107 2HG PRO 107 -4.787 3.017 7.126 578 2HD PRO 107 2HD PRO 107 -4.551 2.723 4.858 579 H LEU 108 H LEU 108 -1.668 4.964 5.038 580 HA LEU 108 HA LEU 108 -0.149 6.908 6.317 581 2HB LEU 108 2HB LEU 108 1.172 5.781 4.008 582 HG LEU 108 HG LEU 108 1.819 6.234 6.676 583 1HD1 LEU 108 1HD1 LEU 108 0.783 4.178 7.405 584 2HD1 LEU 108 2HD1 LEU 108 1.669 3.250 6.172 585 3HD1 LEU 108 3HD1 LEU 108 2.554 4.020 7.510 586 1HD2 LEU 108 1HD2 LEU 108 3.639 6.457 5.383 587 2HD2 LEU 108 2HD2 LEU 108 3.918 4.745 5.784 588 3HD2 LEU 108 3HD2 LEU 108 3.125 5.182 4.252 589 H LEU 109 H LEU 109 -1.433 6.692 2.959 590 HA LEU 109 HA LEU 109 -0.099 9.058 2.124 591 2HB LEU 109 2HB LEU 109 -1.295 8.796 0.098 592 HG LEU 109 HG LEU 109 -0.624 6.104 1.290 593 1HD1 LEU 109 1HD1 LEU 109 -2.069 5.259 -0.229 594 2HD1 LEU 109 2HD1 LEU 109 -2.039 6.721 -1.245 595 3HD1 LEU 109 3HD1 LEU 109 -0.707 5.544 -1.339 596 1HD2 LEU 109 1HD2 LEU 109 1.366 7.216 0.918 597 2HD2 LEU 109 2HD2 LEU 109 1.149 6.325 -0.608 598 3HD2 LEU 109 3HD2 LEU 109 0.754 8.059 -0.525 599 H LEU 110 H LEU 110 -3.211 8.264 3.664 600 HA LEU 110 HA LEU 110 -4.589 10.588 3.126 601 2HB LEU 110 2HB LEU 110 -5.483 10.003 5.580 602 HG LEU 110 HG LEU 110 -7.142 9.569 4.105 603 1HD1 LEU 110 1HD1 LEU 110 -6.706 8.074 2.015 604 2HD1 LEU 110 2HD1 LEU 110 -6.117 9.753 2.044 605 3HD1 LEU 110 3HD1 LEU 110 -4.992 8.410 2.358 606 1HD2 LEU 110 1HD2 LEU 110 -6.403 6.697 3.960 607 2HD2 LEU 110 2HD2 LEU 110 -6.510 7.416 5.585 608 3HD2 LEU 110 3HD2 LEU 110 -7.912 7.478 4.490 609 H SER 111 H SER 111 -2.130 9.876 5.667 610 HA SER 111 HA SER 111 -2.409 12.475 6.769 611 2HB SER 111 2HB SER 111 -0.222 10.387 7.185 612 HG SER 111 HG SER 111 -0.684 12.922 8.251 613 H ALA 112 H ALA 112 -0.363 10.834 4.355 614 HA ALA 112 HA ALA 112 1.698 12.739 4.269 615 1HB ALA 112 1HB ALA 112 1.807 10.418 3.367 616 2HB ALA 112 2HB ALA 112 0.658 10.883 2.090 617 3HB ALA 112 3HB ALA 112 2.267 11.640 2.157 618 H GLN 113 H GLN 113 -1.391 12.348 2.422 619 HA GLN 113 HA GLN 113 -0.944 14.503 0.741 620 2HB GLN 113 2HB GLN 113 -2.644 12.779 0.297 621 2HG GLN 113 2HG GLN 113 -3.945 13.959 2.784 622 1HE2 GLN 113 1HE2 GLN 113 -4.490 11.384 0.382 623 2HE2 GLN 113 2HE2 GLN 113 -6.185 11.659 0.146 624 H GLU 114 H GLU 114 -1.489 14.410 4.121 625 HA GLU 114 HA GLU 114 -2.812 16.970 4.159 626 2HB GLU 114 2HB GLU 114 -2.724 16.601 6.682 627 2HG GLU 114 2HG GLU 114 -3.993 14.115 6.008 628 H ASN 115 H ASN 115 0.349 15.767 3.899 629 HA ASN 115 HA ASN 115 1.523 17.820 5.525 630 2HB ASN 115 2HB ASN 115 3.448 16.485 3.811 631 1HD2 ASN 115 1HD2 ASN 115 1.824 15.497 6.818 632 2HD2 ASN 115 2HD2 ASN 115 3.138 15.823 7.897 633 H ILE 116 H ILE 116 3.832 18.408 3.888 634 HA ILE 116 HA ILE 116 2.549 19.852 1.677 635 HB ILE 116 HB ILE 116 3.608 21.064 3.711 636 2HG1 ILE 116 2HG1 ILE 116 3.933 22.961 2.393 637 1HG2 ILE 116 1HG2 ILE 116 5.704 20.048 3.941 638 2HG2 ILE 116 2HG2 ILE 116 6.042 20.133 2.194 639 3HG2 ILE 116 3HG2 ILE 116 6.053 21.618 3.176 640 1HD1 ILE 116 1HD1 ILE 116 5.498 22.861 0.753 641 2HD1 ILE 116 2HD1 ILE 116 5.353 21.091 0.638 642 3HD1 ILE 116 3HD1 ILE 116 4.242 22.137 -0.279 643 H ALA 117 H ALA 117 5.385 17.915 2.749 644 HA ALA 117 HA ALA 117 6.373 17.827 0.025 645 1HB ALA 117 1HB ALA 117 7.454 16.313 2.415 646 2HB ALA 117 2HB ALA 117 8.322 16.886 0.971 647 3HB ALA 117 3HB ALA 117 7.770 18.051 2.199 648 H GLY 118 H GLY 118 3.818 16.443 1.537 649 1HA GLY 118 1HA GLY 118 2.561 14.639 1.051 650 2HA GLY 118 2HA GLY 118 3.625 14.299 -0.299 651 H ILE 119 H ILE 119 4.557 14.558 3.179 652 HA ILE 119 HA ILE 119 5.252 11.705 3.059 653 HB ILE 119 HB ILE 119 6.780 14.089 3.906 654 2HG1 ILE 119 2HG1 ILE 119 7.492 11.355 2.810 655 1HG2 ILE 119 1HG2 ILE 119 6.387 13.031 6.075 656 2HG2 ILE 119 2HG2 ILE 119 6.978 11.479 5.434 657 3HG2 ILE 119 3HG2 ILE 119 8.086 12.866 5.571 658 1HD1 ILE 119 1HD1 ILE 119 6.500 12.683 1.078 659 2HD1 ILE 119 2HD1 ILE 119 7.301 14.164 1.655 660 3HD1 ILE 119 3HD1 ILE 119 8.258 12.879 0.876 661 HA PRO 120 HA PRO 120 2.522 11.391 6.408 662 2HB PRO 120 2HB PRO 120 1.931 9.248 5.806 663 2HG PRO 120 2HG PRO 120 3.429 8.194 4.405 664 2HD PRO 120 2HD PRO 120 4.440 10.020 3.440 665 H SER 121 H SER 121 2.348 11.435 8.679 666 HA SER 121 HA SER 121 4.600 12.481 9.856 667 2HB SER 121 2HB SER 121 2.344 12.889 10.718 668 HG SER 121 HG SER 121 2.285 10.087 10.835 669 H ALA 122 H ALA 122 3.780 9.202 9.111 670 HA ALA 122 HA ALA 122 4.956 7.843 11.240 671 1HB ALA 122 1HB ALA 122 3.544 6.675 9.704 672 2HB ALA 122 2HB ALA 122 4.523 7.180 8.307 673 3HB ALA 122 3HB ALA 122 5.177 6.008 9.475 674 H PHE 123 H PHE 123 6.308 9.593 8.469 675 HA PHE 123 HA PHE 123 8.948 8.509 9.079 676 2HB PHE 123 2HB PHE 123 9.501 9.585 6.887 677 HD1 PHE 123 1HD PHE 123 7.844 7.023 8.087 678 HD2 PHE 123 2HD PHE 123 7.727 9.403 4.575 679 HE1 PHE 123 1HE PHE 123 6.836 5.104 6.820 680 HE2 PHE 123 2HE PHE 123 6.720 7.483 3.309 681 HZ PHE 123 HZ PHE 123 6.287 5.358 4.446 682 H LEU 124 H LEU 124 6.982 11.497 9.099 683 HA LEU 124 HA LEU 124 9.042 13.325 9.443 684 2HB LEU 124 2HB LEU 124 7.319 14.795 10.329 685 HG LEU 124 HG LEU 124 6.264 13.069 8.072 686 1HD1 LEU 124 1HD1 LEU 124 5.249 15.746 8.010 687 2HD1 LEU 124 2HD1 LEU 124 4.362 14.207 8.111 688 3HD1 LEU 124 3HD1 LEU 124 4.893 15.027 9.598 689 1HD2 LEU 124 1HD2 LEU 124 7.103 14.817 6.602 690 2HD2 LEU 124 2HD2 LEU 124 7.713 15.731 8.003 691 3HD2 LEU 124 3HD2 LEU 124 8.420 14.149 7.596 692 H GLU 125 H GLU 125 6.859 12.042 12.053 693 HA GLU 125 HA GLU 125 8.488 12.940 14.087 694 2HB GLU 125 2HB GLU 125 6.458 10.667 14.025 695 2HG GLU 125 2HG GLU 125 8.323 11.338 16.086 696 H LEU 126 H LEU 126 7.906 9.415 13.447 697 HA LEU 126 HA LEU 126 10.236 8.600 14.709 698 2HB LEU 126 2HB LEU 126 9.787 6.515 13.167 699 HG LEU 126 HG LEU 126 8.245 7.497 15.509 700 1HD1 LEU 126 1HD1 LEU 126 7.223 4.926 14.498 701 2HD1 LEU 126 2HD1 LEU 126 6.375 6.280 15.284 702 3HD1 LEU 126 3HD1 LEU 126 6.741 6.349 13.544 703 1HD2 LEU 126 1HD2 LEU 126 10.252 6.278 15.925 704 2HD2 LEU 126 2HD2 LEU 126 8.884 5.223 16.356 705 3HD2 LEU 126 3HD2 LEU 126 9.759 4.968 14.827 706 H LYS 127 H LYS 127 11.726 6.962 13.107 707 HA LYS 127 HA LYS 127 12.470 8.081 10.654 708 2HB LYS 127 2HB LYS 127 13.223 9.971 12.052 709 2HG LYS 127 2HG LYS 127 15.585 9.031 13.211 710 2HD LYS 127 2HD LYS 127 14.183 9.248 15.404 711 2HE LYS 127 2HE LYS 127 13.724 11.725 13.800 712 1HZ LYS 127 1HZ LYS 127 14.087 12.485 15.815 713 2HZ LYS 127 2HZ LYS 127 14.394 10.986 16.385 714 3HZ LYS 127 3HZ LYS 127 15.615 11.908 15.814 715 H LYS 128 H LYS 128 14.046 6.773 9.604 716 HA LYS 128 HA LYS 128 15.558 4.865 11.030 717 2HB LYS 128 2HB LYS 128 13.144 3.970 11.188 718 2HG LYS 128 2HG LYS 128 13.473 2.557 8.644 719 2HD LYS 128 2HD LYS 128 11.416 2.955 10.311 720 2HE LYS 128 2HE LYS 128 10.524 4.912 8.244 721 1HZ LYS 128 1HZ LYS 128 8.983 4.798 9.817 722 2HZ LYS 128 2HZ LYS 128 9.987 4.185 10.950 723 3HZ LYS 128 3HZ LYS 128 9.937 5.796 10.689 724 H GLU 129 H GLU 129 16.888 3.547 9.542 725 HA GLU 129 HA GLU 129 17.655 5.095 7.353 726 2HB GLU 129 2HB GLU 129 18.552 2.288 7.274 727 2HG GLU 129 2HG GLU 129 19.722 5.062 7.421 728 H GLU 130 H GLU 130 18.136 3.567 5.159 729 HA GLU 130 HA GLU 130 15.507 2.501 4.476 730 2HB GLU 130 2HB GLU 130 16.520 3.419 2.062 731 2HG GLU 130 2HG GLU 130 14.618 4.578 4.116 732 H ILE 131 H ILE 131 15.931 0.301 4.532 733 HA ILE 131 HA ILE 131 18.404 -0.637 3.329 734 HB ILE 131 HB ILE 131 16.246 -2.036 4.911 735 2HG1 ILE 131 2HG1 ILE 131 17.835 -2.075 6.720 736 1HG2 ILE 131 1HG2 ILE 131 17.800 -3.272 3.076 737 2HG2 ILE 131 2HG2 ILE 131 18.867 -3.344 4.499 738 3HG2 ILE 131 3HG2 ILE 131 17.229 -4.035 4.580 739 1HD1 ILE 131 1HD1 ILE 131 19.730 -1.449 4.597 740 2HD1 ILE 131 2HD1 ILE 131 19.841 -0.245 5.902 741 3HD1 ILE 131 3HD1 ILE 131 20.051 -1.973 6.267 742 H LYS 132 H LYS 132 18.525 -1.817 1.430 743 HA LYS 132 HA LYS 132 16.225 -2.917 0.208 744 2HB LYS 132 2HB LYS 132 17.224 -0.759 -1.550 745 2HG LYS 132 2HG LYS 132 14.433 -0.691 -1.323 746 2HD LYS 132 2HD LYS 132 15.217 -2.694 -3.263 747 2HE LYS 132 2HE LYS 132 14.468 0.259 -3.383 748 1HZ LYS 132 1HZ LYS 132 15.754 -1.164 -5.326 749 2HZ LYS 132 2HZ LYS 132 14.186 -1.170 -5.782 750 3HZ LYS 132 3HZ LYS 132 14.953 0.246 -5.517 751 H GLN 133 H GLN 133 16.874 -4.534 -1.159 752 HA GLN 133 HA GLN 133 19.663 -4.403 -1.998 753 2HB GLN 133 2HB GLN 133 19.423 -5.995 -0.116 754 2HG GLN 133 2HG GLN 133 17.189 -7.016 -1.857 755 1HE2 GLN 133 1HE2 GLN 133 16.312 -9.132 -1.307 756 2HE2 GLN 133 2HE2 GLN 133 17.385 -10.468 -1.051 757 H ARG 134 H ARG 134 20.076 -6.085 -3.865 758 HA ARG 134 HA ARG 134 18.604 -5.346 -5.996 759 2HB ARG 134 2HB ARG 134 19.827 -8.127 -5.858 760 2HG ARG 134 2HG ARG 134 19.966 -5.899 -7.946 761 2HD ARG 134 2HD ARG 134 20.543 -8.186 -9.281 762 HE ARG 134 HE ARG 134 22.193 -6.099 -8.107 763 1HH1 ARG 134 2HH2 ARG 134 22.325 -9.160 -9.838 764 2HH1 ARG 134 1HH2 ARG 134 23.887 -8.854 -10.520 765 1HH2 ARG 134 2HH1 ARG 134 24.254 -5.694 -9.008 766 2HH2 ARG 134 1HH1 ARG 134 24.992 -6.869 -10.044 Start of MODEL 2 1 1H SER 24 H SER 24 -10.262 -9.178 -11.655 2 HA SER 24 HA SER 24 -9.160 -9.869 -14.032 3 2HB SER 24 2HB SER 24 -7.442 -7.594 -13.469 4 HG SER 24 HG SER 24 -9.088 -8.277 -15.756 5 H HIS 25 H HIS 25 -7.506 -11.274 -13.488 6 HA HIS 25 HA HIS 25 -5.938 -12.279 -12.328 7 2HB HIS 25 2HB HIS 25 -5.269 -10.158 -10.420 8 HD1 HIS 25 1HD HIS 25 -4.037 -11.785 -13.681 9 HD2 HIS 25 2HD HIS 25 -2.681 -10.767 -9.844 10 HE1 HIS 25 1HE HIS 25 -1.628 -12.614 -13.531 11 H MET 26 H MET 26 -7.431 -10.052 -9.865 12 HA MET 26 HA MET 26 -8.386 -12.459 -8.533 13 2HB MET 26 2HB MET 26 -7.864 -10.840 -6.393 14 2HG MET 26 2HG MET 26 -6.939 -13.208 -7.001 15 1HE MET 26 1HE MET 26 -3.184 -10.825 -7.905 16 2HE MET 26 2HE MET 26 -4.648 -10.035 -8.539 17 3HE MET 26 3HE MET 26 -4.521 -10.414 -6.804 18 H GLN 27 H GLN 27 -9.889 -11.558 -6.516 19 HA GLN 27 HA GLN 27 -11.204 -9.172 -6.857 20 2HB GLN 27 2HB GLN 27 -12.205 -9.767 -8.892 21 2HG GLN 27 2HG GLN 27 -13.105 -12.498 -8.020 22 1HE2 GLN 27 1HE2 GLN 27 -10.935 -11.051 -10.440 23 2HE2 GLN 27 2HE2 GLN 27 -11.873 -11.440 -11.842 24 H LEU 28 H LEU 28 -12.115 -8.803 -4.877 25 HA LEU 28 HA LEU 28 -13.695 -10.741 -3.572 26 2HB LEU 28 2HB LEU 28 -11.841 -11.936 -2.928 27 HG LEU 28 HG LEU 28 -9.795 -10.971 -1.899 28 1HD1 LEU 28 1HD1 LEU 28 -9.988 -9.856 -4.679 29 2HD1 LEU 28 2HD1 LEU 28 -8.663 -10.753 -3.897 30 3HD1 LEU 28 3HD1 LEU 28 -10.140 -11.608 -4.406 31 1HD2 LEU 28 1HD2 LEU 28 -10.455 -8.311 -3.120 32 2HD2 LEU 28 2HD2 LEU 28 -11.039 -8.709 -1.487 33 3HD2 LEU 28 3HD2 LEU 28 -9.294 -8.721 -1.835 34 H LYS 29 H LYS 29 -13.640 -9.821 -0.965 35 HA LYS 29 HA LYS 29 -14.608 -7.123 -1.380 36 2HB LYS 29 2HB LYS 29 -14.864 -9.160 0.831 37 2HG LYS 29 2HG LYS 29 -15.845 -6.266 0.847 38 2HD LYS 29 2HD LYS 29 -15.931 -8.111 3.225 39 2HE LYS 29 2HE LYS 29 -18.240 -6.399 2.447 40 1HZ LYS 29 1HZ LYS 29 -17.529 -5.681 4.829 41 2HZ LYS 29 2HZ LYS 29 -18.331 -7.082 4.582 42 3HZ LYS 29 3HZ LYS 29 -16.713 -7.095 4.807 43 H PHE 30 H PHE 30 -13.897 -5.295 -0.130 44 HA PHE 30 HA PHE 30 -11.196 -5.683 0.957 45 2HB PHE 30 2HB PHE 30 -10.691 -4.204 -0.764 46 HD1 PHE 30 1HD PHE 30 -13.447 -1.942 -0.517 47 HD2 PHE 30 2HD PHE 30 -12.107 -5.464 -2.471 48 HE1 PHE 30 1HE PHE 30 -15.161 -1.597 -2.318 49 HE2 PHE 30 2HE PHE 30 -13.822 -5.118 -4.271 50 HZ PHE 30 HZ PHE 30 -15.329 -3.189 -4.173 51 H ALA 31 H ALA 31 -10.700 -3.350 2.215 52 HA ALA 31 HA ALA 31 -12.458 -3.499 4.461 53 1HB ALA 31 1HB ALA 31 -10.586 -1.264 4.459 54 2HB ALA 31 2HB ALA 31 -10.639 -2.696 5.514 55 3HB ALA 31 3HB ALA 31 -9.790 -2.772 3.951 56 H GLU 32 H GLU 32 -12.641 -0.869 5.371 57 HA GLU 32 HA GLU 32 -14.413 0.239 3.339 58 2HB GLU 32 2HB GLU 32 -15.527 1.381 5.334 59 2HG GLU 32 2HG GLU 32 -15.579 -1.574 5.881 60 H CYS 33 H CYS 33 -11.678 0.825 5.523 61 HA CYS 33 HA CYS 33 -11.688 3.620 5.352 62 2HB CYS 33 2HB CYS 33 -9.282 3.400 6.074 63 HG CYS 33 HG CYS 33 -11.990 2.866 7.385 64 H LEU 34 H LEU 34 -11.024 1.088 3.082 65 HA LEU 34 HA LEU 34 -9.034 2.391 1.557 66 2HB LEU 34 2HB LEU 34 -9.437 0.685 -0.065 67 HG LEU 34 HG LEU 34 -10.094 -0.841 2.432 68 1HD1 LEU 34 1HD1 LEU 34 -9.681 -2.388 0.832 69 2HD1 LEU 34 2HD1 LEU 34 -8.646 -1.298 -0.122 70 3HD1 LEU 34 3HD1 LEU 34 -7.997 -2.097 1.330 71 1HD2 LEU 34 1HD2 LEU 34 -7.443 0.536 1.919 72 2HD2 LEU 34 2HD2 LEU 34 -8.589 0.892 3.234 73 3HD2 LEU 34 3HD2 LEU 34 -7.757 -0.681 3.181 74 H GLU 35 H GLU 35 -12.314 3.108 2.147 75 HA GLU 35 HA GLU 35 -12.680 4.254 -0.480 76 2HB GLU 35 2HB GLU 35 -14.989 4.513 0.111 77 2HG GLU 35 2HG GLU 35 -14.521 2.071 1.771 78 H LYS 36 H LYS 36 -10.652 5.253 1.540 79 HA LYS 36 HA LYS 36 -11.795 7.830 2.261 80 2HB LYS 36 2HB LYS 36 -9.434 8.054 3.323 81 2HG LYS 36 2HG LYS 36 -10.469 5.948 4.920 82 2HD LYS 36 2HD LYS 36 -11.641 8.671 5.271 83 2HE LYS 36 2HE LYS 36 -9.877 6.874 7.006 84 1HZ LYS 36 1HZ LYS 36 -10.565 9.523 7.281 85 2HZ LYS 36 2HZ LYS 36 -11.488 8.708 8.354 86 3HZ LYS 36 3HZ LYS 36 -9.863 8.559 8.396 87 H LYS 37 H LYS 37 -10.344 6.362 -0.406 88 HA LYS 37 HA LYS 37 -9.304 7.103 -2.210 89 2HB LYS 37 2HB LYS 37 -9.878 9.481 -2.906 90 2HG LYS 37 2HG LYS 37 -11.442 7.133 -2.786 91 2HD LYS 37 2HD LYS 37 -12.700 9.285 -1.246 92 2HE LYS 37 2HE LYS 37 -13.711 8.821 -3.965 93 1HZ LYS 37 1HZ LYS 37 -15.324 8.033 -1.676 94 2HZ LYS 37 2HZ LYS 37 -16.048 8.786 -2.932 95 3HZ LYS 37 3HZ LYS 37 -15.260 7.374 -3.169 96 H VAL 38 H VAL 38 -7.697 8.936 -3.084 97 HA VAL 38 HA VAL 38 -6.113 10.100 -0.982 98 HB VAL 38 HB VAL 38 -4.089 8.914 -1.487 99 1HG1 VAL 38 1HG1 VAL 38 -5.613 7.972 0.230 100 2HG1 VAL 38 2HG1 VAL 38 -6.319 6.908 -1.011 101 3HG1 VAL 38 3HG1 VAL 38 -4.607 6.731 -0.554 102 1HG2 VAL 38 1HG2 VAL 38 -5.726 7.720 -3.692 103 2HG2 VAL 38 2HG2 VAL 38 -4.039 8.286 -3.696 104 3HG2 VAL 38 3HG2 VAL 38 -4.452 6.725 -2.948 105 H ASP 39 H ASP 39 -3.758 10.417 -2.677 106 HA ASP 39 HA ASP 39 -4.461 11.310 -5.200 107 2HB ASP 39 2HB ASP 39 -3.828 13.716 -3.527 108 H MET 40 H MET 40 -2.427 10.413 -5.803 109 HA MET 40 HA MET 40 -0.121 10.726 -4.293 110 2HB MET 40 2HB MET 40 1.003 9.865 -6.376 111 2HG MET 40 2HG MET 40 -0.724 7.928 -6.842 112 1HE MET 40 1HE MET 40 0.509 9.369 -2.976 113 2HE MET 40 2HE MET 40 -1.174 9.029 -3.445 114 3HE MET 40 3HE MET 40 -0.275 7.862 -2.445 115 H SER 41 H SER 41 -1.741 12.847 -6.576 116 HA SER 41 HA SER 41 0.538 14.300 -7.331 117 2HB SER 41 2HB SER 41 -2.032 15.768 -7.342 118 HG SER 41 HG SER 41 -0.263 16.312 -8.752 119 H LYS 42 H LYS 42 -1.020 13.964 -4.353 120 HA LYS 42 HA LYS 42 -0.153 16.647 -3.526 121 2HB LYS 42 2HB LYS 42 -1.948 16.815 -2.048 122 2HG LYS 42 2HG LYS 42 -4.000 16.088 -3.385 123 2HD LYS 42 2HD LYS 42 -1.736 17.525 -4.849 124 2HE LYS 42 2HE LYS 42 -4.632 18.053 -5.447 125 1HZ LYS 42 1HZ LYS 42 -3.743 18.812 -7.361 126 2HZ LYS 42 2HZ LYS 42 -2.433 19.025 -6.410 127 3HZ LYS 42 3HZ LYS 42 -2.522 17.730 -7.401 128 H VAL 43 H VAL 43 -0.329 13.137 -2.807 129 HA VAL 43 HA VAL 43 1.663 13.587 -0.697 130 HB VAL 43 HB VAL 43 0.114 12.466 0.462 131 1HG1 VAL 43 1HG1 VAL 43 -1.566 12.668 -1.338 132 2HG1 VAL 43 2HG1 VAL 43 -0.935 11.181 -2.083 133 3HG1 VAL 43 3HG1 VAL 43 -1.693 11.118 -0.474 134 1HG2 VAL 43 1HG2 VAL 43 1.899 10.845 0.392 135 2HG2 VAL 43 2HG2 VAL 43 0.345 9.978 0.335 136 3HG2 VAL 43 3HG2 VAL 43 1.303 10.185 -1.151 137 H ASN 44 H ASN 44 3.526 12.172 -0.626 138 HA ASN 44 HA ASN 44 4.329 11.463 -3.283 139 2HB ASN 44 2HB ASN 44 6.454 10.744 -1.706 140 1HD2 ASN 44 1HD2 ASN 44 8.035 12.617 -1.319 141 2HD2 ASN 44 2HD2 ASN 44 8.056 13.872 -2.511 142 H LEU 45 H LEU 45 4.606 9.301 -4.003 143 HA LEU 45 HA LEU 45 3.692 7.251 -2.136 144 2HB LEU 45 2HB LEU 45 2.953 7.826 -4.700 145 HG LEU 45 HG LEU 45 3.591 6.096 -6.173 146 1HD1 LEU 45 1HD1 LEU 45 5.445 7.122 -6.837 147 2HD1 LEU 45 2HD1 LEU 45 5.429 8.012 -5.296 148 3HD1 LEU 45 3HD1 LEU 45 6.364 6.505 -5.442 149 1HD2 LEU 45 1HD2 LEU 45 4.297 4.694 -3.782 150 2HD2 LEU 45 2HD2 LEU 45 4.121 4.073 -5.440 151 3HD2 LEU 45 3HD2 LEU 45 5.694 4.693 -4.884 152 H GLU 46 H GLU 46 6.523 8.517 -3.760 153 HA GLU 46 HA GLU 46 8.017 6.192 -3.878 154 2HB GLU 46 2HB GLU 46 9.774 8.379 -3.325 155 2HG GLU 46 2HG GLU 46 9.720 8.330 -6.011 156 H VAL 47 H VAL 47 7.424 8.549 -1.236 157 HA VAL 47 HA VAL 47 9.396 7.504 0.494 158 HB VAL 47 HB VAL 47 8.117 8.785 2.210 159 1HG1 VAL 47 1HG1 VAL 47 8.347 10.701 -0.041 160 2HG1 VAL 47 2HG1 VAL 47 9.121 10.709 1.562 161 3HG1 VAL 47 3HG1 VAL 47 9.778 9.687 0.260 162 1HG2 VAL 47 1HG2 VAL 47 5.995 9.402 1.904 163 2HG2 VAL 47 2HG2 VAL 47 6.410 10.239 0.390 164 3HG2 VAL 47 3HG2 VAL 47 5.997 8.507 0.365 165 H ILE 48 H ILE 48 6.558 6.143 -0.748 166 HA ILE 48 HA ILE 48 6.247 4.475 1.649 167 HB ILE 48 HB ILE 48 4.129 4.444 -0.396 168 2HG1 ILE 48 2HG1 ILE 48 3.183 6.557 0.073 169 1HG2 ILE 48 1HG2 ILE 48 3.958 4.837 2.597 170 2HG2 ILE 48 2HG2 ILE 48 2.699 4.248 1.485 171 3HG2 ILE 48 3HG2 ILE 48 4.128 3.243 1.825 172 1HD1 ILE 48 1HD1 ILE 48 5.370 6.791 2.181 173 2HD1 ILE 48 2HD1 ILE 48 4.425 8.185 1.607 174 3HD1 ILE 48 3HD1 ILE 48 3.609 6.836 2.432 175 H LYS 49 H LYS 49 7.890 4.587 -1.183 176 HA LYS 49 HA LYS 49 7.168 2.161 -2.414 177 2HB LYS 49 2HB LYS 49 9.551 2.443 -3.396 178 2HG LYS 49 2HG LYS 49 8.693 4.622 -4.612 179 2HD LYS 49 2HD LYS 49 8.410 2.072 -5.257 180 2HE LYS 49 2HE LYS 49 5.622 2.083 -5.445 181 1HZ LYS 49 1HZ LYS 49 7.568 0.733 -3.770 182 2HZ LYS 49 2HZ LYS 49 5.985 0.508 -3.437 183 3HZ LYS 49 3HZ LYS 49 6.574 0.115 -4.909 184 HA PRO 50 HA PRO 50 10.601 0.443 0.359 185 2HB PRO 50 2HB PRO 50 12.274 1.893 0.994 186 2HG PRO 50 2HG PRO 50 11.714 4.126 0.861 187 2HD PRO 50 2HD PRO 50 10.041 4.035 -0.714 188 H TRP 51 H TRP 51 8.033 2.267 1.777 189 HA TRP 51 HA TRP 51 7.782 0.557 4.039 190 2HB TRP 51 2HB TRP 51 5.783 2.481 2.838 191 HD1 TRP 51 HD TRP 51 6.582 2.490 6.546 192 HE1 TRP 51 1HE TRP 51 4.558 1.625 8.002 193 HE3 TRP 51 3HE TRP 51 3.836 0.744 2.639 194 HZ2 TRP 51 2HZ TRP 51 2.091 0.336 7.370 195 HZ3 TRP 51 3HZ TRP 51 1.631 -0.303 3.146 196 HH2 TRP 51 HH TRP 51 0.750 -0.521 5.415 197 H ILE 52 H ILE 52 6.093 0.956 0.852 198 HA ILE 52 HA ILE 52 4.327 -1.195 1.284 199 HB ILE 52 HB ILE 52 5.105 0.586 -0.951 200 2HG1 ILE 52 2HG1 ILE 52 2.985 0.361 0.867 201 1HG2 ILE 52 1HG2 ILE 52 3.619 -0.814 -2.491 202 2HG2 ILE 52 2HG2 ILE 52 5.282 -1.386 -2.209 203 3HG2 ILE 52 3HG2 ILE 52 3.919 -2.158 -1.363 204 1HD1 ILE 52 1HD1 ILE 52 3.113 2.531 0.205 205 2HD1 ILE 52 2HD1 ILE 52 3.887 2.087 -1.335 206 3HD1 ILE 52 3HD1 ILE 52 2.114 2.052 -1.189 207 H THR 53 H THR 53 7.424 -0.880 -0.579 208 HA THR 53 HA THR 53 7.520 -3.532 -1.431 209 HB THR 53 HB THR 53 9.769 -1.546 -0.803 210 HG1 THR 53 1HG THR 53 9.344 -1.133 -3.148 211 1HG2 THR 53 1HG2 THR 53 10.599 -3.868 -1.307 212 2HG2 THR 53 2HG2 THR 53 9.607 -3.877 -2.785 213 3HG2 THR 53 3HG2 THR 53 10.964 -2.735 -2.631 214 H LYS 54 H LYS 54 8.539 -2.010 1.648 215 HA LYS 54 HA LYS 54 9.807 -4.393 2.564 216 2HB LYS 54 2HB LYS 54 8.959 -1.864 4.006 217 2HG LYS 54 2HG LYS 54 11.141 -3.674 4.990 218 2HD LYS 54 2HD LYS 54 9.048 -2.616 6.812 219 2HE LYS 54 2HE LYS 54 11.903 -3.204 6.786 220 1HZ LYS 54 1HZ LYS 54 11.069 -0.501 7.478 221 2HZ LYS 54 2HZ LYS 54 12.262 -1.214 8.336 222 3HZ LYS 54 3HZ LYS 54 12.431 -0.997 6.726 223 H ARG 55 H ARG 55 6.589 -2.829 2.938 224 HA ARG 55 HA ARG 55 5.675 -4.545 4.897 225 2HB ARG 55 2HB ARG 55 3.383 -3.873 3.482 226 2HG ARG 55 2HG ARG 55 3.567 -1.650 4.872 227 2HD ARG 55 2HD ARG 55 3.642 -4.463 6.031 228 HE ARG 55 HE ARG 55 2.742 -2.244 7.749 229 1HH1 ARG 55 2HH2 ARG 55 5.370 -4.441 6.941 230 2HH1 ARG 55 1HH2 ARG 55 6.163 -4.257 8.469 231 1HH2 ARG 55 2HH1 ARG 55 3.789 -2.001 9.765 232 2HH2 ARG 55 1HH1 ARG 55 5.258 -2.861 10.087 233 H VAL 56 H VAL 56 5.318 -4.622 1.280 234 HA VAL 56 HA VAL 56 3.829 -6.995 1.213 235 HB VAL 56 HB VAL 56 4.547 -7.020 -1.176 236 1HG1 VAL 56 1HG1 VAL 56 3.340 -4.985 -1.791 237 2HG1 VAL 56 2HG1 VAL 56 2.552 -5.786 -0.410 238 3HG1 VAL 56 3HG1 VAL 56 3.556 -4.339 -0.147 239 1HG2 VAL 56 1HG2 VAL 56 6.545 -6.090 -1.615 240 2HG2 VAL 56 2HG2 VAL 56 5.673 -4.539 -1.594 241 3HG2 VAL 56 3HG2 VAL 56 6.518 -5.105 -0.133 242 H THR 57 H THR 57 7.353 -6.283 1.185 243 HA THR 57 HA THR 57 8.129 -8.957 0.647 244 HB THR 57 HB THR 57 9.561 -6.540 1.868 245 HG1 THR 57 1HG THR 57 8.549 -6.867 -0.482 246 1HG2 THR 57 1HG2 THR 57 11.164 -8.166 2.335 247 2HG2 THR 57 2HG2 THR 57 10.469 -9.322 1.174 248 3HG2 THR 57 3HG2 THR 57 11.491 -7.985 0.595 249 H GLU 58 H GLU 58 7.589 -7.070 3.662 250 HA GLU 58 HA GLU 58 8.529 -9.172 5.285 251 2HB GLU 58 2HB GLU 58 7.094 -7.712 7.031 252 2HG GLU 58 2HG GLU 58 9.367 -6.128 5.952 253 H ILE 59 H ILE 59 5.445 -8.326 3.774 254 HA ILE 59 HA ILE 59 3.705 -9.686 5.445 255 HB ILE 59 HB ILE 59 3.712 -8.820 2.597 256 2HG1 ILE 59 2HG1 ILE 59 3.121 -7.448 4.745 257 1HG2 ILE 59 1HG2 ILE 59 1.248 -9.728 2.607 258 2HG2 ILE 59 2HG2 ILE 59 2.604 -10.772 2.114 259 3HG2 ILE 59 3HG2 ILE 59 1.916 -10.920 3.749 260 1HD1 ILE 59 1HD1 ILE 59 0.980 -6.608 3.264 261 2HD1 ILE 59 2HD1 ILE 59 2.667 -6.192 2.877 262 3HD1 ILE 59 3HD1 ILE 59 1.869 -7.544 2.039 263 H LEU 60 H LEU 60 5.633 -10.845 2.612 264 HA LEU 60 HA LEU 60 4.808 -13.564 3.289 265 2HB LEU 60 2HB LEU 60 4.725 -13.870 1.115 266 HG LEU 60 HG LEU 60 4.533 -11.211 1.100 267 1HD1 LEU 60 1HD1 LEU 60 6.856 -10.669 1.072 268 2HD1 LEU 60 2HD1 LEU 60 7.159 -11.764 -0.298 269 3HD1 LEU 60 3HD1 LEU 60 6.195 -10.286 -0.537 270 1HD2 LEU 60 1HD2 LEU 60 3.914 -11.331 -1.175 271 2HD2 LEU 60 2HD2 LEU 60 5.026 -12.685 -1.491 272 3HD2 LEU 60 3HD2 LEU 60 3.575 -12.939 -0.491 273 H GLY 61 H GLY 61 7.714 -11.476 2.785 274 1HA GLY 61 1HA GLY 61 9.396 -11.827 4.586 275 2HA GLY 61 2HA GLY 61 9.292 -13.535 4.209 276 H PHE 62 H PHE 62 8.779 -12.309 1.235 277 HA PHE 62 HA PHE 62 11.627 -11.880 0.685 278 2HB PHE 62 2HB PHE 62 11.235 -14.117 -0.072 279 HD1 PHE 62 1HD PHE 62 8.622 -12.859 -2.315 280 HD2 PHE 62 2HD PHE 62 9.443 -15.231 1.106 281 HE1 PHE 62 1HE PHE 62 6.322 -13.855 -2.453 282 HE2 PHE 62 2HE PHE 62 7.144 -16.227 0.968 283 HZ PHE 62 HZ PHE 62 5.610 -15.527 -0.810 284 H GLU 63 H GLU 63 12.065 -10.656 -1.307 285 HA GLU 63 HA GLU 63 10.271 -8.524 -1.563 286 2HB GLU 63 2HB GLU 63 12.496 -9.183 -3.526 287 2HG GLU 63 2HG GLU 63 12.477 -6.473 -2.624 288 H ASP 64 H ASP 64 8.297 -8.717 -2.541 289 HA ASP 64 HA ASP 64 7.807 -10.721 -4.434 290 2HB ASP 64 2HB ASP 64 5.996 -8.352 -4.381 291 H ASP 65 H ASP 65 6.068 -8.983 -6.208 292 HA ASP 65 HA ASP 65 7.685 -7.032 -7.388 293 2HB ASP 65 2HB ASP 65 7.458 -8.748 -9.617 294 H VAL 66 H VAL 66 5.235 -9.650 -8.000 295 HA VAL 66 HA VAL 66 3.734 -8.188 -9.870 296 HB VAL 66 HB VAL 66 3.824 -10.758 -8.895 297 1HG1 VAL 66 1HG1 VAL 66 1.203 -9.498 -8.023 298 2HG1 VAL 66 2HG1 VAL 66 1.502 -11.249 -8.138 299 3HG1 VAL 66 3HG1 VAL 66 2.426 -10.261 -6.980 300 1HG2 VAL 66 1HG2 VAL 66 1.849 -9.348 -10.705 301 2HG2 VAL 66 2HG2 VAL 66 3.273 -10.319 -11.155 302 3HG2 VAL 66 3HG2 VAL 66 1.838 -11.112 -10.461 303 H VAL 67 H VAL 67 3.475 -8.638 -6.292 304 HA VAL 67 HA VAL 67 1.134 -7.044 -6.103 305 HB VAL 67 HB VAL 67 1.247 -7.470 -3.844 306 1HG1 VAL 67 1HG1 VAL 67 1.330 -9.563 -5.348 307 2HG1 VAL 67 2HG1 VAL 67 3.006 -9.743 -4.776 308 3HG1 VAL 67 3HG1 VAL 67 1.660 -9.771 -3.611 309 1HG2 VAL 67 1HG2 VAL 67 4.252 -7.490 -4.171 310 2HG2 VAL 67 2HG2 VAL 67 3.243 -6.423 -3.165 311 3HG2 VAL 67 3HG2 VAL 67 3.460 -8.131 -2.711 312 H ILE 68 H ILE 68 4.673 -6.487 -5.763 313 HA ILE 68 HA ILE 68 4.468 -3.881 -4.770 314 HB ILE 68 HB ILE 68 6.659 -5.176 -6.396 315 2HG1 ILE 68 2HG1 ILE 68 5.888 -6.360 -4.269 316 1HG2 ILE 68 1HG2 ILE 68 6.642 -2.698 -4.659 317 2HG2 ILE 68 2HG2 ILE 68 8.117 -3.514 -5.231 318 3HG2 ILE 68 3HG2 ILE 68 6.980 -2.805 -6.403 319 1HD1 ILE 68 1HD1 ILE 68 8.115 -6.943 -3.692 320 2HD1 ILE 68 2HD1 ILE 68 8.246 -6.412 -5.385 321 3HD1 ILE 68 3HD1 ILE 68 8.732 -5.317 -4.068 322 H GLU 69 H GLU 69 4.811 -5.164 -8.142 323 HA GLU 69 HA GLU 69 4.924 -2.727 -9.384 324 2HB GLU 69 2HB GLU 69 3.529 -4.372 -11.171 325 2HG GLU 69 2HG GLU 69 6.459 -4.875 -10.859 326 H PHE 70 H PHE 70 2.082 -4.686 -8.347 327 HA PHE 70 HA PHE 70 0.113 -3.208 -9.598 328 2HB PHE 70 2HB PHE 70 -1.022 -4.035 -7.216 329 HD1 PHE 70 1HD PHE 70 -0.182 -7.164 -7.588 330 HD2 PHE 70 2HD PHE 70 -1.692 -4.078 -10.078 331 HE1 PHE 70 1HE PHE 70 -1.227 -8.886 -9.087 332 HE2 PHE 70 2HE PHE 70 -2.736 -5.799 -11.578 333 HZ PHE 70 HZ PHE 70 -2.492 -8.182 -11.065 334 H ILE 71 H ILE 71 1.632 -2.782 -6.336 335 HA ILE 71 HA ILE 71 -0.002 -0.540 -5.714 336 HB ILE 71 HB ILE 71 2.550 -1.580 -4.479 337 2HG1 ILE 71 2HG1 ILE 71 -0.058 -2.669 -4.517 338 1HG2 ILE 71 1HG2 ILE 71 2.507 0.552 -3.642 339 2HG2 ILE 71 2HG2 ILE 71 0.736 0.689 -3.767 340 3HG2 ILE 71 3HG2 ILE 71 1.463 -0.277 -2.461 341 1HD1 ILE 71 1HD1 ILE 71 1.072 -4.451 -3.645 342 2HD1 ILE 71 2HD1 ILE 71 2.526 -3.455 -3.897 343 3HD1 ILE 71 3HD1 ILE 71 1.734 -3.486 -2.303 344 H PHE 72 H PHE 72 3.334 -1.036 -6.993 345 HA PHE 72 HA PHE 72 4.049 1.665 -6.953 346 2HB PHE 72 2HB PHE 72 4.971 -0.218 -9.140 347 HD1 PHE 72 1HD PHE 72 7.503 -0.628 -7.132 348 HD2 PHE 72 2HD PHE 72 5.495 2.668 -8.894 349 HE1 PHE 72 1HE PHE 72 9.608 0.732 -6.984 350 HE2 PHE 72 2HE PHE 72 7.599 4.029 -8.747 351 HZ PHE 72 HZ PHE 72 9.630 3.044 -7.794 352 H ASN 73 H ASN 73 2.641 -0.420 -9.568 353 HA ASN 73 HA ASN 73 2.660 1.578 -11.485 354 2HB ASN 73 2HB ASN 73 0.652 0.062 -12.404 355 1HD2 ASN 73 1HD2 ASN 73 3.479 -1.475 -10.899 356 2HD2 ASN 73 2HD2 ASN 73 4.363 -1.792 -12.355 357 H GLN 74 H GLN 74 0.291 0.533 -8.977 358 HA GLN 74 HA GLN 74 -1.779 2.189 -9.925 359 2HB GLN 74 2HB GLN 74 -2.614 1.718 -7.446 360 2HG GLN 74 2HG GLN 74 -3.747 0.557 -9.166 361 1HE2 GLN 74 1HE2 GLN 74 -2.171 -2.294 -9.287 362 2HE2 GLN 74 2HE2 GLN 74 -1.358 -2.181 -10.813 363 H LEU 75 H LEU 75 0.845 2.500 -7.492 364 HA LEU 75 HA LEU 75 -0.145 5.022 -6.553 365 2HB LEU 75 2HB LEU 75 2.124 5.009 -5.381 366 HG LEU 75 HG LEU 75 0.611 2.488 -4.738 367 1HD1 LEU 75 1HD1 LEU 75 1.096 3.241 -2.406 368 2HD1 LEU 75 2HD1 LEU 75 2.543 2.895 -3.383 369 3HD1 LEU 75 3HD1 LEU 75 2.050 4.580 -3.088 370 1HD2 LEU 75 1HD2 LEU 75 -0.911 3.989 -3.340 371 2HD2 LEU 75 2HD2 LEU 75 -0.362 5.323 -4.384 372 3HD2 LEU 75 3HD2 LEU 75 -1.209 3.927 -5.095 373 H GLU 76 H GLU 76 1.224 4.040 -9.432 374 HA GLU 76 HA GLU 76 3.027 6.247 -9.694 375 2HB GLU 76 2HB GLU 76 2.833 5.258 -12.219 376 2HG GLU 76 2HG GLU 76 4.358 3.315 -10.749 377 H VAL 77 H VAL 77 -0.312 5.903 -9.740 378 HA VAL 77 HA VAL 77 -0.665 7.891 -11.859 379 HB VAL 77 HB VAL 77 -2.912 7.215 -11.960 380 1HG1 VAL 77 1HG1 VAL 77 -2.542 5.231 -12.946 381 2HG1 VAL 77 2HG1 VAL 77 -0.856 5.431 -12.413 382 3HG1 VAL 77 3HG1 VAL 77 -1.992 4.477 -11.430 383 1HG2 VAL 77 1HG2 VAL 77 -4.138 6.532 -10.219 384 2HG2 VAL 77 2HG2 VAL 77 -3.024 5.188 -9.870 385 3HG2 VAL 77 3HG2 VAL 77 -2.700 6.807 -9.206 386 H LYS 78 H LYS 78 -2.974 9.165 -11.020 387 HA LYS 78 HA LYS 78 -1.957 10.595 -8.679 388 2HB LYS 78 2HB LYS 78 -3.387 12.448 -9.476 389 2HG LYS 78 2HG LYS 78 -0.944 11.784 -10.399 390 2HD LYS 78 2HD LYS 78 -2.420 12.057 -13.018 391 2HE LYS 78 2HE LYS 78 -0.051 10.278 -12.659 392 1HZ LYS 78 1HZ LYS 78 0.508 11.997 -14.539 393 2HZ LYS 78 2HZ LYS 78 -0.447 10.702 -14.816 394 3HZ LYS 78 3HZ LYS 78 -1.115 12.170 -14.561 395 H ASN 79 H ASN 79 -4.402 8.389 -9.780 396 HA ASN 79 HA ASN 79 -5.677 8.692 -7.197 397 2HB ASN 79 2HB ASN 79 -7.717 7.955 -9.092 398 1HD2 ASN 79 1HD2 ASN 79 -6.264 10.984 -7.892 399 2HD2 ASN 79 2HD2 ASN 79 -7.589 11.482 -6.893 400 HA PRO 80 HA PRO 80 -4.784 4.370 -8.180 401 2HB PRO 80 2HB PRO 80 -2.883 4.205 -6.890 402 2HG PRO 80 2HG PRO 80 -2.522 5.989 -5.474 403 2HD PRO 80 2HD PRO 80 -3.700 7.628 -6.576 404 H ASP 81 H ASP 81 -5.764 2.310 -7.678 405 HA ASP 81 HA ASP 81 -8.336 2.866 -6.447 406 2HB ASP 81 2HB ASP 81 -7.434 0.564 -8.241 407 H SER 82 H SER 82 -8.198 2.326 -4.246 408 HA SER 82 HA SER 82 -6.359 0.547 -3.223 409 2HB SER 82 2HB SER 82 -7.403 2.227 -1.816 410 HG SER 82 HG SER 82 -9.843 0.820 -2.460 411 H LYS 83 H LYS 83 -9.646 0.111 -4.532 412 HA LYS 83 HA LYS 83 -10.204 -2.387 -3.446 413 2HB LYS 83 2HB LYS 83 -11.725 -2.571 -5.482 414 2HG LYS 83 2HG LYS 83 -11.833 -0.887 -3.175 415 2HD LYS 83 2HD LYS 83 -13.632 0.522 -4.973 416 2HE LYS 83 2HE LYS 83 -11.254 1.788 -3.599 417 1HZ LYS 83 1HZ LYS 83 -13.780 2.817 -3.034 418 2HZ LYS 83 2HZ LYS 83 -12.556 3.523 -3.853 419 3HZ LYS 83 3HZ LYS 83 -13.658 2.619 -4.650 420 H MET 84 H MET 84 -8.553 -1.451 -6.530 421 HA MET 84 HA MET 84 -8.132 -4.106 -7.301 422 2HB MET 84 2HB MET 84 -6.100 -2.355 -8.389 423 2HG MET 84 2HG MET 84 -7.815 -2.385 -10.381 424 1HE MET 84 1HE MET 84 -6.988 -5.639 -8.006 425 2HE MET 84 2HE MET 84 -8.437 -5.706 -9.037 426 3HE MET 84 3HE MET 84 -7.030 -6.728 -9.415 427 H MET 85 H MET 85 -6.236 -1.737 -5.386 428 HA MET 85 HA MET 85 -3.842 -3.122 -5.420 429 2HB MET 85 2HB MET 85 -4.537 -1.694 -2.891 430 2HG MET 85 2HG MET 85 -2.475 -1.284 -5.109 431 1HE MET 85 1HE MET 85 -2.012 1.615 -5.327 432 2HE MET 85 2HE MET 85 -3.625 0.864 -5.356 433 3HE MET 85 3HE MET 85 -3.334 2.308 -4.358 434 H GLN 86 H GLN 86 -6.562 -3.158 -3.012 435 HA GLN 86 HA GLN 86 -5.310 -5.069 -1.392 436 2HB GLN 86 2HB GLN 86 -8.225 -5.081 -1.176 437 2HG GLN 86 2HG GLN 86 -6.666 -3.514 0.782 438 1HE2 GLN 86 1HE2 GLN 86 -7.503 -6.951 0.534 439 2HE2 GLN 86 2HE2 GLN 86 -8.781 -6.959 1.702 440 H ILE 87 H ILE 87 -7.479 -5.216 -4.219 441 HA ILE 87 HA ILE 87 -8.170 -7.942 -3.892 442 HB ILE 87 HB ILE 87 -8.444 -5.856 -5.997 443 2HG1 ILE 87 2HG1 ILE 87 -10.035 -6.559 -3.971 444 1HG2 ILE 87 1HG2 ILE 87 -9.572 -7.715 -7.410 445 2HG2 ILE 87 2HG2 ILE 87 -7.804 -7.519 -7.482 446 3HG2 ILE 87 3HG2 ILE 87 -8.516 -8.820 -6.498 447 1HD1 ILE 87 1HD1 ILE 87 -11.899 -6.105 -6.022 448 2HD1 ILE 87 2HD1 ILE 87 -11.090 -4.858 -5.043 449 3HD1 ILE 87 3HD1 ILE 87 -10.407 -5.337 -6.614 450 H ASN 88 H ASN 88 -5.530 -6.155 -5.535 451 HA ASN 88 HA ASN 88 -4.572 -8.423 -6.879 452 2HB ASN 88 2HB ASN 88 -2.376 -6.836 -6.796 453 1HD2 ASN 88 1HD2 ASN 88 -3.677 -4.370 -7.990 454 2HD2 ASN 88 2HD2 ASN 88 -4.207 -4.849 -9.567 455 H LEU 89 H LEU 89 -3.790 -6.690 -3.798 456 HA LEU 89 HA LEU 89 -1.523 -8.145 -3.115 457 2HB LEU 89 2HB LEU 89 -2.279 -7.447 -0.740 458 HG LEU 89 HG LEU 89 -2.060 -5.128 -2.658 459 1HD1 LEU 89 1HD1 LEU 89 -1.710 -3.892 -0.845 460 2HD1 LEU 89 2HD1 LEU 89 -2.196 -5.302 0.126 461 3HD1 LEU 89 3HD1 LEU 89 -0.476 -5.020 -0.233 462 1HD2 LEU 89 1HD2 LEU 89 -0.260 -6.196 -3.512 463 2HD2 LEU 89 2HD2 LEU 89 0.520 -5.565 -2.042 464 3HD2 LEU 89 3HD2 LEU 89 -0.062 -7.246 -2.087 465 H THR 90 H THR 90 -5.027 -8.743 -2.492 466 HA THR 90 HA THR 90 -4.685 -10.970 -0.843 467 HB THR 90 HB THR 90 -6.941 -10.345 -2.820 468 HG1 THR 90 1HG THR 90 -7.673 -9.214 -0.755 469 1HG2 THR 90 1HG2 THR 90 -8.001 -12.078 -1.773 470 2HG2 THR 90 2HG2 THR 90 -6.587 -12.348 -0.727 471 3HG2 THR 90 3HG2 THR 90 -7.845 -11.187 -0.241 472 H GLY 91 H GLY 91 -4.137 -10.559 -4.270 473 1HA GLY 91 1HA GLY 91 -4.537 -13.258 -5.052 474 2HA GLY 91 2HA GLY 91 -3.640 -12.021 -5.911 475 H PHE 92 H PHE 92 -1.975 -11.540 -3.328 476 HA PHE 92 HA PHE 92 -0.261 -13.900 -3.672 477 2HB PHE 92 2HB PHE 92 1.087 -11.554 -2.596 478 HD1 PHE 92 1HD PHE 92 3.165 -12.554 -2.956 479 HD2 PHE 92 2HD PHE 92 0.421 -12.280 -6.181 480 HE1 PHE 92 1HE PHE 92 4.943 -13.354 -4.537 481 HE2 PHE 92 2HE PHE 92 2.198 -13.079 -7.762 482 HZ PHE 92 HZ PHE 92 4.438 -13.607 -6.921 483 H LEU 93 H LEU 93 -1.372 -11.312 -1.398 484 HA LEU 93 HA LEU 93 -0.120 -12.434 0.855 485 2HB LEU 93 2HB LEU 93 -1.388 -10.862 2.113 486 HG LEU 93 HG LEU 93 -1.137 -9.383 -0.495 487 1HD1 LEU 93 1HD1 LEU 93 -0.209 -8.444 2.203 488 2HD1 LEU 93 2HD1 LEU 93 -0.760 -7.503 0.796 489 3HD1 LEU 93 3HD1 LEU 93 -1.937 -8.404 1.780 490 1HD2 LEU 93 1HD2 LEU 93 1.356 -9.117 0.557 491 2HD2 LEU 93 2HD2 LEU 93 1.008 -10.822 0.931 492 3HD2 LEU 93 3HD2 LEU 93 0.922 -10.244 -0.750 493 H ASN 94 H ASN 94 -2.131 -12.653 2.808 494 HA ASN 94 HA ASN 94 -3.176 -15.219 2.026 495 2HB ASN 94 2HB ASN 94 -3.862 -15.201 4.563 496 1HD2 ASN 94 1HD2 ASN 94 -0.675 -13.840 3.810 497 2HD2 ASN 94 2HD2 ASN 94 0.254 -15.276 4.081 498 H GLY 95 H GLY 95 -4.117 -11.912 2.214 499 1HA GLY 95 1HA GLY 95 -6.283 -11.374 1.292 500 2HA GLY 95 2HA GLY 95 -6.977 -12.666 2.252 501 H LYS 96 H LYS 96 -5.721 -12.297 4.758 502 HA LYS 96 HA LYS 96 -7.204 -10.037 5.690 503 2HB LYS 96 2HB LYS 96 -5.387 -11.430 7.557 504 2HG LYS 96 2HG LYS 96 -7.957 -11.808 8.414 505 2HD LYS 96 2HD LYS 96 -7.611 -9.293 9.336 506 2HE LYS 96 2HE LYS 96 -5.605 -11.440 10.129 507 1HZ LYS 96 1HZ LYS 96 -6.274 -10.549 12.314 508 2HZ LYS 96 2HZ LYS 96 -5.503 -9.458 11.372 509 3HZ LYS 96 3HZ LYS 96 -7.125 -9.376 11.558 510 H ASN 97 H ASN 97 -3.821 -10.833 4.932 511 HA ASN 97 HA ASN 97 -2.713 -8.693 6.339 512 2HB ASN 97 2HB ASN 97 -1.129 -9.307 3.997 513 1HD2 ASN 97 1HD2 ASN 97 0.135 -11.609 5.245 514 2HD2 ASN 97 2HD2 ASN 97 0.964 -11.049 6.659 515 H ALA 98 H ALA 98 -4.218 -9.128 3.135 516 HA ALA 98 HA ALA 98 -3.198 -6.822 1.900 517 1HB ALA 98 1HB ALA 98 -4.586 -7.430 0.165 518 2HB ALA 98 2HB ALA 98 -4.562 -8.971 1.056 519 3HB ALA 98 3HB ALA 98 -5.934 -7.854 1.246 520 H ARG 99 H ARG 99 -6.115 -7.477 3.922 521 HA ARG 99 HA ARG 99 -7.179 -4.927 3.565 522 2HB ARG 99 2HB ARG 99 -7.956 -6.005 6.134 523 2HG ARG 99 2HG ARG 99 -9.327 -6.201 3.410 524 2HD ARG 99 2HD ARG 99 -10.362 -7.603 5.212 525 HE ARG 99 HE ARG 99 -11.064 -5.227 6.814 526 1HH1 ARG 99 2HH2 ARG 99 -8.940 -8.011 6.467 527 2HH1 ARG 99 1HH2 ARG 99 -8.478 -8.028 8.136 528 1HH2 ARG 99 2HH1 ARG 99 -10.455 -5.249 9.016 529 2HH2 ARG 99 1HH1 ARG 99 -9.346 -6.446 9.596 530 H GLU 100 H GLU 100 -4.967 -6.413 5.990 531 HA GLU 100 HA GLU 100 -4.986 -4.152 7.673 532 2HB GLU 100 2HB GLU 100 -2.701 -5.453 8.384 533 2HG GLU 100 2HG GLU 100 -5.459 -6.634 8.928 534 H PHE 101 H PHE 101 -2.991 -5.298 4.928 535 HA PHE 101 HA PHE 101 -0.883 -3.488 5.284 536 2HB PHE 101 2HB PHE 101 -2.144 -5.006 2.935 537 HD1 PHE 101 1HD PHE 101 -2.017 -3.073 1.358 538 HD2 PHE 101 2HD PHE 101 1.435 -4.658 3.250 539 HE1 PHE 101 1HE PHE 101 -0.562 -1.939 -0.345 540 HE2 PHE 101 2HE PHE 101 2.890 -3.523 1.547 541 HZ PHE 101 HZ PHE 101 1.873 -2.178 -0.230 542 H MET 102 H MET 102 -3.878 -3.373 3.240 543 HA MET 102 HA MET 102 -3.254 -0.886 2.139 544 2HB MET 102 2HB MET 102 -6.001 -1.042 1.964 545 2HG MET 102 2HG MET 102 -4.748 -3.114 0.275 546 1HE MET 102 1HE MET 102 -4.776 0.113 -2.107 547 2HE MET 102 2HE MET 102 -5.789 1.049 -0.983 548 3HE MET 102 3HE MET 102 -4.268 0.320 -0.414 549 H GLY 103 H GLY 103 -4.900 -1.908 5.133 550 1HA GLY 103 1HA GLY 103 -6.010 0.683 5.699 551 2HA GLY 103 2HA GLY 103 -5.961 -0.718 6.750 552 H GLU 104 H GLU 104 -2.881 0.005 5.330 553 HA GLU 104 HA GLU 104 -2.159 1.544 7.696 554 2HB GLU 104 2HB GLU 104 0.122 0.240 7.440 555 2HG GLU 104 2HG GLU 104 -1.527 -1.814 8.527 556 H LEU 105 H LEU 105 -1.770 0.797 4.250 557 HA LEU 105 HA LEU 105 0.211 2.925 3.990 558 2HB LEU 105 2HB LEU 105 -0.264 0.427 2.696 559 HG LEU 105 HG LEU 105 0.215 1.119 0.365 560 1HD1 LEU 105 1HD1 LEU 105 -2.441 2.314 0.713 561 2HD1 LEU 105 2HD1 LEU 105 -1.939 0.852 -0.170 562 3HD1 LEU 105 3HD1 LEU 105 -2.220 0.779 1.586 563 1HD2 LEU 105 1HD2 LEU 105 0.499 3.668 1.455 564 2HD2 LEU 105 2HD2 LEU 105 0.508 3.229 -0.270 565 3HD2 LEU 105 3HD2 LEU 105 -1.006 3.751 0.507 566 H TRP 106 H TRP 106 -3.146 1.999 3.170 567 HA TRP 106 HA TRP 106 -3.659 4.066 1.369 568 2HB TRP 106 2HB TRP 106 -5.683 2.879 3.257 569 HD1 TRP 106 HD TRP 106 -7.881 4.142 2.641 570 HE1 TRP 106 1HE TRP 106 -9.100 5.064 0.490 571 HE3 TRP 106 3HE TRP 106 -4.166 2.949 -0.620 572 HZ2 TRP 106 2HZ TRP 106 -8.390 5.189 -2.271 573 HZ3 TRP 106 3HZ TRP 106 -4.508 3.505 -3.025 574 HH2 TRP 106 HH TRP 106 -6.532 4.587 -3.867 575 HA PRO 107 HA PRO 107 -4.779 6.435 5.341 576 2HB PRO 107 2HB PRO 107 -5.427 5.185 7.164 577 2HG PRO 107 2HG PRO 107 -4.757 2.978 7.104 578 2HD PRO 107 2HD PRO 107 -4.507 2.688 4.837 579 H LEU 108 H LEU 108 -1.665 4.978 5.032 580 HA LEU 108 HA LEU 108 -0.185 6.948 6.315 581 2HB LEU 108 2HB LEU 108 1.161 5.845 4.007 582 HG LEU 108 HG LEU 108 1.769 6.289 6.702 583 1HD1 LEU 108 1HD1 LEU 108 1.701 3.321 6.104 584 2HD1 LEU 108 2HD1 LEU 108 2.634 4.058 7.429 585 3HD1 LEU 108 3HD1 LEU 108 0.860 4.193 7.409 586 1HD2 LEU 108 1HD2 LEU 108 3.666 4.624 5.165 587 2HD2 LEU 108 2HD2 LEU 108 3.104 6.102 4.349 588 3HD2 LEU 108 3HD2 LEU 108 3.886 6.209 5.944 589 H LEU 109 H LEU 109 -1.447 6.711 2.948 590 HA LEU 109 HA LEU 109 -0.155 9.099 2.119 591 2HB LEU 109 2HB LEU 109 -1.353 8.822 0.091 592 HG LEU 109 HG LEU 109 -0.810 6.046 1.182 593 1HD1 LEU 109 1HD1 LEU 109 -1.905 5.410 -0.674 594 2HD1 LEU 109 2HD1 LEU 109 -1.766 7.012 -1.438 595 3HD1 LEU 109 3HD1 LEU 109 -0.397 5.874 -1.500 596 1HD2 LEU 109 1HD2 LEU 109 0.995 8.110 0.778 597 2HD2 LEU 109 2HD2 LEU 109 1.372 6.372 0.867 598 3HD2 LEU 109 3HD2 LEU 109 1.113 7.147 -0.715 599 H LEU 110 H LEU 110 -3.263 8.252 3.642 600 HA LEU 110 HA LEU 110 -4.673 10.556 3.104 601 2HB LEU 110 2HB LEU 110 -5.580 9.955 5.544 602 HG LEU 110 HG LEU 110 -7.212 9.473 4.054 603 1HD1 LEU 110 1HD1 LEU 110 -6.121 9.683 2.014 604 2HD1 LEU 110 2HD1 LEU 110 -5.033 8.310 2.336 605 3HD1 LEU 110 3HD1 LEU 110 -6.750 8.018 1.966 606 1HD2 LEU 110 1HD2 LEU 110 -7.937 7.361 4.428 607 2HD2 LEU 110 2HD2 LEU 110 -6.393 6.621 3.940 608 3HD2 LEU 110 3HD2 LEU 110 -6.559 7.350 5.555 609 H SER 111 H SER 111 -2.238 9.872 5.678 610 HA SER 111 HA SER 111 -2.555 12.472 6.767 611 2HB SER 111 2HB SER 111 -0.073 11.347 7.612 612 HG SER 111 HG SER 111 -2.200 12.314 8.741 613 H ALA 112 H ALA 112 -0.455 10.842 4.391 614 HA ALA 112 HA ALA 112 1.577 12.785 4.327 615 1HB ALA 112 1HB ALA 112 1.716 10.434 3.463 616 2HB ALA 112 2HB ALA 112 0.639 10.903 2.126 617 3HB ALA 112 3HB ALA 112 2.245 11.654 2.281 618 H GLN 113 H GLN 113 -1.470 12.303 2.436 619 HA GLN 113 HA GLN 113 -1.034 14.428 0.715 620 2HB GLN 113 2HB GLN 113 -2.707 12.651 0.317 621 2HG GLN 113 2HG GLN 113 -4.023 13.921 2.745 622 1HE2 GLN 113 1HE2 GLN 113 -4.664 11.362 0.350 623 2HE2 GLN 113 2HE2 GLN 113 -6.343 11.709 0.101 624 H GLU 114 H GLU 114 -1.714 14.372 4.095 625 HA GLU 114 HA GLU 114 -3.032 16.928 4.050 626 2HB GLU 114 2HB GLU 114 -2.987 16.606 6.587 627 2HG GLU 114 2HG GLU 114 -4.250 14.114 5.919 628 H ASN 115 H ASN 115 0.152 15.734 3.925 629 HA ASN 115 HA ASN 115 1.268 17.825 5.535 630 2HB ASN 115 2HB ASN 115 3.222 16.478 3.847 631 1HD2 ASN 115 1HD2 ASN 115 1.796 15.226 6.815 632 2HD2 ASN 115 2HD2 ASN 115 3.048 15.720 7.905 633 H ILE 116 H ILE 116 3.608 18.405 3.924 634 HA ILE 116 HA ILE 116 2.352 19.833 1.686 635 HB ILE 116 HB ILE 116 3.353 21.076 3.718 636 2HG1 ILE 116 2HG1 ILE 116 3.582 22.942 2.404 637 1HG2 ILE 116 1HG2 ILE 116 5.866 20.242 2.252 638 2HG2 ILE 116 2HG2 ILE 116 5.785 21.604 3.396 639 3HG2 ILE 116 3HG2 ILE 116 5.441 19.950 3.955 640 1HD1 ILE 116 1HD1 ILE 116 5.582 22.725 1.216 641 2HD1 ILE 116 2HD1 ILE 116 5.153 21.115 0.589 642 3HD1 ILE 116 3HD1 ILE 116 4.400 22.570 -0.106 643 H ALA 117 H ALA 117 5.203 17.948 2.818 644 HA ALA 117 HA ALA 117 6.242 17.847 0.119 645 1HB ALA 117 1HB ALA 117 7.989 16.395 1.307 646 2HB ALA 117 2HB ALA 117 7.873 18.089 1.842 647 3HB ALA 117 3HB ALA 117 7.143 16.794 2.820 648 H GLY 118 H GLY 118 3.635 16.474 1.527 649 1HA GLY 118 1HA GLY 118 2.402 14.656 1.051 650 2HA GLY 118 2HA GLY 118 3.454 14.358 -0.318 651 H ILE 119 H ILE 119 4.379 14.518 3.172 652 HA ILE 119 HA ILE 119 5.096 11.675 2.966 653 HB ILE 119 HB ILE 119 6.650 14.034 3.772 654 2HG1 ILE 119 2HG1 ILE 119 7.190 11.279 2.670 655 1HG2 ILE 119 1HG2 ILE 119 7.907 12.926 5.526 656 2HG2 ILE 119 2HG2 ILE 119 6.193 13.059 5.988 657 3HG2 ILE 119 3HG2 ILE 119 6.845 11.501 5.425 658 1HD1 ILE 119 1HD1 ILE 119 7.954 14.063 1.689 659 2HD1 ILE 119 2HD1 ILE 119 8.062 12.532 0.787 660 3HD1 ILE 119 3HD1 ILE 119 6.469 13.219 1.187 661 HA PRO 120 HA PRO 120 2.438 11.246 6.354 662 2HB PRO 120 2HB PRO 120 1.935 9.079 5.763 663 2HG PRO 120 2HG PRO 120 3.468 8.082 4.358 664 2HD PRO 120 2HD PRO 120 4.399 9.945 3.383 665 H SER 121 H SER 121 2.287 11.485 8.574 666 HA SER 121 HA SER 121 4.590 12.477 9.721 667 2HB SER 121 2HB SER 121 2.376 13.108 10.522 668 HG SER 121 HG SER 121 1.981 10.387 10.594 669 H ALA 122 H ALA 122 3.587 9.224 9.146 670 HA ALA 122 HA ALA 122 4.599 7.914 11.383 671 1HB ALA 122 1HB ALA 122 4.878 6.027 9.573 672 2HB ALA 122 2HB ALA 122 3.251 6.628 9.974 673 3HB ALA 122 3HB ALA 122 4.071 7.195 8.500 674 H PHE 123 H PHE 123 6.164 9.464 8.613 675 HA PHE 123 HA PHE 123 8.711 8.263 9.401 676 2HB PHE 123 2HB PHE 123 9.404 9.279 7.164 677 HD1 PHE 123 1HD PHE 123 7.363 8.851 4.910 678 HD2 PHE 123 2HD PHE 123 8.307 6.604 8.384 679 HE1 PHE 123 1HE PHE 123 6.582 6.757 3.768 680 HE2 PHE 123 2HE PHE 123 7.526 4.510 7.242 681 HZ PHE 123 HZ PHE 123 6.672 4.612 4.948 682 H LEU 124 H LEU 124 6.984 11.389 8.938 683 HA LEU 124 HA LEU 124 9.013 13.159 9.216 684 2HB LEU 124 2HB LEU 124 7.340 14.666 10.227 685 HG LEU 124 HG LEU 124 6.154 12.994 7.993 686 1HD1 LEU 124 1HD1 LEU 124 5.389 15.741 7.880 687 2HD1 LEU 124 2HD1 LEU 124 4.366 14.299 8.088 688 3HD1 LEU 124 3HD1 LEU 124 5.040 15.126 9.513 689 1HD2 LEU 124 1HD2 LEU 124 7.069 14.801 6.520 690 2HD2 LEU 124 2HD2 LEU 124 7.983 15.406 7.923 691 3HD2 LEU 124 3HD2 LEU 124 8.301 13.773 7.290 692 H GLU 125 H GLU 125 7.036 11.939 12.018 693 HA GLU 125 HA GLU 125 8.779 12.969 13.900 694 2HB GLU 125 2HB GLU 125 6.982 10.539 14.276 695 2HG GLU 125 2HG GLU 125 7.470 12.824 16.213 696 H LEU 126 H LEU 126 8.234 9.429 13.248 697 HA LEU 126 HA LEU 126 10.474 8.526 14.521 698 2HB LEU 126 2HB LEU 126 10.257 6.628 12.731 699 HG LEU 126 HG LEU 126 8.398 7.332 14.937 700 1HD1 LEU 126 1HD1 LEU 126 7.336 4.934 13.988 701 2HD1 LEU 126 2HD1 LEU 126 6.554 6.533 13.988 702 3HD1 LEU 126 3HD1 LEU 126 7.448 5.978 12.551 703 1HD2 LEU 126 1HD2 LEU 126 9.820 5.929 15.912 704 2HD2 LEU 126 2HD2 LEU 126 9.032 4.619 14.999 705 3HD2 LEU 126 3HD2 LEU 126 10.491 5.406 14.348 706 H LYS 127 H LYS 127 12.560 9.108 14.284 707 HA LYS 127 HA LYS 127 14.494 9.607 13.347 708 2HB LYS 127 2HB LYS 127 14.885 8.806 10.951 709 2HG LYS 127 2HG LYS 127 14.795 7.445 13.400 710 2HD LYS 127 2HD LYS 127 12.602 6.471 11.971 711 2HE LYS 127 2HE LYS 127 14.079 4.023 11.824 712 1HZ LYS 127 1HZ LYS 127 13.159 5.671 9.583 713 2HZ LYS 127 2HZ LYS 127 13.251 4.042 9.657 714 3HZ LYS 127 3HZ LYS 127 12.125 4.838 10.534 715 H LYS 128 H LYS 128 15.493 11.404 12.374 716 HA LYS 128 HA LYS 128 13.639 13.455 11.604 717 2HB LYS 128 2HB LYS 128 16.092 14.578 11.311 718 2HG LYS 128 2HG LYS 128 14.042 14.375 13.382 719 2HD LYS 128 2HD LYS 128 16.819 15.081 14.408 720 2HE LYS 128 2HE LYS 128 14.714 14.106 16.248 721 1HZ LYS 128 1HZ LYS 128 15.423 16.117 17.376 722 2HZ LYS 128 2HZ LYS 128 16.706 15.194 16.963 723 3HZ LYS 128 3HZ LYS 128 16.357 16.539 16.105 724 H GLU 129 H GLU 129 14.485 14.928 9.646 725 HA GLU 129 HA GLU 129 13.866 13.635 7.379 726 2HB GLU 129 2HB GLU 129 15.834 15.959 7.539 727 2HG GLU 129 2HG GLU 129 13.626 15.597 5.503 728 H GLU 130 H GLU 130 14.851 12.245 5.944 729 HA GLU 130 HA GLU 130 17.611 12.234 5.545 730 2HB GLU 130 2HB GLU 130 16.652 9.732 6.975 731 2HG GLU 130 2HG GLU 130 19.474 10.767 6.990 732 H ILE 131 H ILE 131 17.369 12.050 3.345 733 HA ILE 131 HA ILE 131 15.791 9.752 2.418 734 HB ILE 131 HB ILE 131 15.983 12.531 1.262 735 2HG1 ILE 131 2HG1 ILE 131 13.580 12.587 1.570 736 1HG2 ILE 131 1HG2 ILE 131 16.043 11.348 -0.694 737 2HG2 ILE 131 2HG2 ILE 131 15.207 9.937 -0.004 738 3HG2 ILE 131 3HG2 ILE 131 14.285 11.402 -0.417 739 1HD1 ILE 131 1HD1 ILE 131 12.280 10.799 2.237 740 2HD1 ILE 131 2HD1 ILE 131 13.578 9.880 1.439 741 3HD1 ILE 131 3HD1 ILE 131 13.587 10.079 3.207 742 H LYS 132 H LYS 132 16.733 8.438 0.857 743 HA LYS 132 HA LYS 132 19.124 9.297 -0.468 744 2HB LYS 132 2HB LYS 132 20.026 8.686 1.741 745 2HG LYS 132 2HG LYS 132 18.251 6.378 1.356 746 2HD LYS 132 2HD LYS 132 20.578 5.325 2.726 747 2HE LYS 132 2HE LYS 132 19.751 4.232 0.067 748 1HZ LYS 132 1HZ LYS 132 20.231 2.354 1.119 749 2HZ LYS 132 2HZ LYS 132 20.953 3.286 2.249 750 3HZ LYS 132 3HZ LYS 132 19.429 2.750 2.485 751 H GLN 133 H GLN 133 19.546 8.039 -2.318 752 HA GLN 133 HA GLN 133 18.516 5.518 -2.720 753 2HB GLN 133 2HB GLN 133 16.791 7.720 -3.938 754 2HG GLN 133 2HG GLN 133 17.277 5.574 -5.338 755 1HE2 GLN 133 1HE2 GLN 133 14.756 4.025 -5.304 756 2HE2 GLN 133 2HE2 GLN 133 14.975 2.743 -4.159 757 H ARG 134 H ARG 134 19.334 4.641 -4.672 758 HA ARG 134 HA ARG 134 20.719 4.496 -6.326 759 2HB ARG 134 2HB ARG 134 20.060 7.255 -7.366 760 2HG ARG 134 2HG ARG 134 21.150 4.919 -8.461 761 2HD ARG 134 2HD ARG 134 18.593 4.171 -8.386 762 HE ARG 134 HE ARG 134 17.308 5.637 -9.669 763 1HH1 ARG 134 2HH2 ARG 134 20.429 5.210 -11.236 764 2HH1 ARG 134 1HH2 ARG 134 19.997 6.136 -12.635 765 1HH2 ARG 134 2HH1 ARG 134 16.737 6.858 -11.514 766 2HH2 ARG 134 1HH1 ARG 134 17.883 7.079 -12.794 Start of MODEL 3 1 1H SER 24 H SER 24 -9.089 -12.028 -14.383 2 HA SER 24 HA SER 24 -8.621 -9.193 -13.883 3 2HB SER 24 2HB SER 24 -10.357 -9.275 -12.195 4 HG SER 24 HG SER 24 -11.895 -9.268 -13.674 5 H HIS 25 H HIS 25 -7.256 -12.198 -13.516 6 HA HIS 25 HA HIS 25 -5.631 -12.979 -12.262 7 2HB HIS 25 2HB HIS 25 -4.681 -11.275 -10.459 8 HD1 HIS 25 1HD HIS 25 -5.088 -11.171 -14.266 9 HD2 HIS 25 2HD HIS 25 -2.127 -10.762 -11.324 10 HE1 HIS 25 1HE HIS 25 -2.868 -10.978 -15.509 11 H MET 26 H MET 26 -7.695 -10.878 -10.123 12 HA MET 26 HA MET 26 -8.819 -13.123 -8.880 13 2HB MET 26 2HB MET 26 -6.914 -13.471 -7.541 14 2HG MET 26 2HG MET 26 -5.906 -11.008 -6.646 15 1HE MET 26 1HE MET 26 -3.251 -10.682 -7.178 16 2HE MET 26 2HE MET 26 -2.540 -11.347 -8.669 17 3HE MET 26 3HE MET 26 -3.880 -10.180 -8.765 18 H GLN 27 H GLN 27 -10.404 -12.488 -7.172 19 HA GLN 27 HA GLN 27 -10.801 -9.645 -6.928 20 2HB GLN 27 2HB GLN 27 -12.119 -10.037 -8.898 21 2HG GLN 27 2HG GLN 27 -14.066 -11.957 -8.054 22 1HE2 GLN 27 1HE2 GLN 27 -10.867 -12.614 -9.416 23 2HE2 GLN 27 2HE2 GLN 27 -11.357 -12.820 -11.064 24 H LEU 28 H LEU 28 -11.914 -9.066 -5.005 25 HA LEU 28 HA LEU 28 -13.338 -10.986 -3.491 26 2HB LEU 28 2HB LEU 28 -11.386 -12.001 -2.833 27 HG LEU 28 HG LEU 28 -9.367 -10.825 -1.986 28 1HD1 LEU 28 1HD1 LEU 28 -8.338 -10.719 -4.046 29 2HD1 LEU 28 2HD1 LEU 28 -9.780 -11.694 -4.415 30 3HD1 LEU 28 3HD1 LEU 28 -9.743 -9.965 -4.836 31 1HD2 LEU 28 1HD2 LEU 28 -9.002 -8.547 -2.170 32 2HD2 LEU 28 2HD2 LEU 28 -10.287 -8.328 -3.383 33 3HD2 LEU 28 3HD2 LEU 28 -10.712 -8.623 -1.681 34 H LYS 29 H LYS 29 -13.210 -9.840 -0.964 35 HA LYS 29 HA LYS 29 -14.312 -7.215 -1.569 36 2HB LYS 29 2HB LYS 29 -14.552 -9.103 0.778 37 2HG LYS 29 2HG LYS 29 -15.665 -6.270 0.497 38 2HD LYS 29 2HD LYS 29 -15.829 -8.033 2.957 39 2HE LYS 29 2HE LYS 29 -18.037 -6.209 2.141 40 1HZ LYS 29 1HZ LYS 29 -16.482 -6.737 4.567 41 2HZ LYS 29 2HZ LYS 29 -17.605 -5.554 4.492 42 3HZ LYS 29 3HZ LYS 29 -18.044 -7.112 4.277 43 H PHE 30 H PHE 30 -13.742 -5.335 -0.237 44 HA PHE 30 HA PHE 30 -11.021 -5.586 0.838 45 2HB PHE 30 2HB PHE 30 -10.564 -4.137 -0.924 46 HD1 PHE 30 1HD PHE 30 -11.819 -5.345 -2.709 47 HD2 PHE 30 2HD PHE 30 -13.510 -2.069 -0.608 48 HE1 PHE 30 1HE PHE 30 -13.547 -5.081 -4.511 49 HE2 PHE 30 2HE PHE 30 -15.237 -1.805 -2.410 50 HZ PHE 30 HZ PHE 30 -15.235 -3.314 -4.341 51 H ALA 31 H ALA 31 -10.511 -3.517 2.263 52 HA ALA 31 HA ALA 31 -12.361 -3.577 4.393 53 1HB ALA 31 1HB ALA 31 -10.486 -2.920 5.437 54 2HB ALA 31 2HB ALA 31 -9.680 -2.702 3.865 55 3HB ALA 31 3HB ALA 31 -10.571 -1.350 4.603 56 H GLU 32 H GLU 32 -12.532 -0.930 5.303 57 HA GLU 32 HA GLU 32 -14.290 0.169 3.255 58 2HB GLU 32 2HB GLU 32 -15.376 -0.550 5.395 59 2HG GLU 32 2HG GLU 32 -13.804 1.759 6.626 60 H CYS 33 H CYS 33 -11.686 0.864 5.620 61 HA CYS 33 HA CYS 33 -11.636 3.610 5.373 62 2HB CYS 33 2HB CYS 33 -9.443 1.609 5.974 63 HG CYS 33 HG CYS 33 -7.994 3.377 5.016 64 H LEU 34 H LEU 34 -10.954 1.084 3.087 65 HA LEU 34 HA LEU 34 -9.002 2.415 1.545 66 2HB LEU 34 2HB LEU 34 -9.401 0.714 -0.079 67 HG LEU 34 HG LEU 34 -10.051 -0.819 2.417 68 1HD1 LEU 34 1HD1 LEU 34 -9.628 -2.404 0.878 69 2HD1 LEU 34 2HD1 LEU 34 -8.711 -1.298 -0.172 70 3HD1 LEU 34 3HD1 LEU 34 -7.927 -2.035 1.246 71 1HD2 LEU 34 1HD2 LEU 34 -8.515 0.947 3.158 72 2HD2 LEU 34 2HD2 LEU 34 -7.748 -0.659 3.191 73 3HD2 LEU 34 3HD2 LEU 34 -7.367 0.483 1.879 74 H GLU 35 H GLU 35 -12.282 3.103 2.172 75 HA GLU 35 HA GLU 35 -12.694 4.253 -0.445 76 2HB GLU 35 2HB GLU 35 -14.994 4.578 0.245 77 2HG GLU 35 2HG GLU 35 -14.548 2.024 1.714 78 H LYS 36 H LYS 36 -10.614 5.267 1.494 79 HA LYS 36 HA LYS 36 -11.746 7.857 2.208 80 2HB LYS 36 2HB LYS 36 -9.402 8.076 3.296 81 2HG LYS 36 2HG LYS 36 -10.482 5.961 4.876 82 2HD LYS 36 2HD LYS 36 -10.167 8.866 4.949 83 2HE LYS 36 2HE LYS 36 -12.826 8.331 5.022 84 1HZ LYS 36 1HZ LYS 36 -12.177 8.309 7.853 85 2HZ LYS 36 2HZ LYS 36 -13.542 7.822 7.102 86 3HZ LYS 36 3HZ LYS 36 -12.203 6.889 7.049 87 H LYS 37 H LYS 37 -10.329 6.343 -0.438 88 HA LYS 37 HA LYS 37 -9.245 7.038 -2.236 89 2HB LYS 37 2HB LYS 37 -9.799 9.403 -2.983 90 2HG LYS 37 2HG LYS 37 -11.376 7.074 -2.840 91 2HD LYS 37 2HD LYS 37 -12.644 9.285 -1.359 92 2HE LYS 37 2HE LYS 37 -14.645 7.980 -3.108 93 1HZ LYS 37 1HZ LYS 37 -14.245 10.367 -1.680 94 2HZ LYS 37 2HZ LYS 37 -14.769 10.700 -3.190 95 3HZ LYS 37 3HZ LYS 37 -15.641 9.715 -2.222 96 H VAL 38 H VAL 38 -7.642 8.896 -3.122 97 HA VAL 38 HA VAL 38 -6.056 10.048 -1.016 98 HB VAL 38 HB VAL 38 -4.020 8.869 -1.581 99 1HG1 VAL 38 1HG1 VAL 38 -5.511 7.995 0.218 100 2HG1 VAL 38 2HG1 VAL 38 -6.221 6.871 -0.965 101 3HG1 VAL 38 3HG1 VAL 38 -4.499 6.740 -0.536 102 1HG2 VAL 38 1HG2 VAL 38 -4.501 6.620 -2.951 103 2HG2 VAL 38 2HG2 VAL 38 -5.733 7.662 -3.704 104 3HG2 VAL 38 3HG2 VAL 38 -4.018 8.139 -3.743 105 H ASP 39 H ASP 39 -3.720 10.494 -2.608 106 HA ASP 39 HA ASP 39 -4.441 11.379 -5.161 107 2HB ASP 39 2HB ASP 39 -3.757 13.717 -3.394 108 H MET 40 H MET 40 -2.431 10.373 -5.743 109 HA MET 40 HA MET 40 -0.097 10.666 -4.288 110 2HB MET 40 2HB MET 40 0.975 9.782 -6.397 111 2HG MET 40 2HG MET 40 -0.693 7.822 -6.771 112 1HE MET 40 1HE MET 40 0.268 9.339 -2.809 113 2HE MET 40 2HE MET 40 -1.356 9.059 -3.481 114 3HE MET 40 3HE MET 40 -0.616 7.848 -2.406 115 H SER 41 H SER 41 -1.703 12.796 -6.580 116 HA SER 41 HA SER 41 0.608 14.203 -7.348 117 2HB SER 41 2HB SER 41 -2.189 15.375 -7.342 118 HG SER 41 HG SER 41 0.050 15.460 -9.181 119 H LYS 42 H LYS 42 -0.983 13.932 -4.381 120 HA LYS 42 HA LYS 42 -0.104 16.622 -3.589 121 2HB LYS 42 2HB LYS 42 -1.906 16.820 -2.127 122 2HG LYS 42 2HG LYS 42 -3.954 16.051 -3.454 123 2HD LYS 42 2HD LYS 42 -1.849 17.336 -5.240 124 2HE LYS 42 2HE LYS 42 -4.491 16.835 -5.733 125 1HZ LYS 42 1HZ LYS 42 -4.353 19.504 -4.508 126 2HZ LYS 42 2HZ LYS 42 -5.627 18.914 -5.343 127 3HZ LYS 42 3HZ LYS 42 -5.194 18.232 -3.924 128 H VAL 43 H VAL 43 -0.274 13.121 -2.837 129 HA VAL 43 HA VAL 43 1.695 13.597 -0.710 130 HB VAL 43 HB VAL 43 0.139 12.472 0.437 131 1HG1 VAL 43 1HG1 VAL 43 -0.862 11.203 -2.135 132 2HG1 VAL 43 2HG1 VAL 43 -1.625 11.059 -0.533 133 3HG1 VAL 43 3HG1 VAL 43 -1.541 12.643 -1.340 134 1HG2 VAL 43 1HG2 VAL 43 0.575 10.156 0.627 135 2HG2 VAL 43 2HG2 VAL 43 1.032 10.015 -1.087 136 3HG2 VAL 43 3HG2 VAL 43 2.097 10.875 0.052 137 H ASN 44 H ASN 44 3.567 12.196 -0.611 138 HA ASN 44 HA ASN 44 4.405 11.480 -3.255 139 2HB ASN 44 2HB ASN 44 6.463 10.749 -1.503 140 1HD2 ASN 44 1HD2 ASN 44 8.137 12.554 -1.315 141 2HD2 ASN 44 2HD2 ASN 44 8.282 13.632 -2.663 142 H LEU 45 H LEU 45 4.463 9.337 -3.997 143 HA LEU 45 HA LEU 45 3.625 7.286 -2.118 144 2HB LEU 45 2HB LEU 45 2.856 7.849 -4.648 145 HG LEU 45 HG LEU 45 3.515 6.067 -6.128 146 1HD1 LEU 45 1HD1 LEU 45 5.152 7.305 -6.981 147 2HD1 LEU 45 2HD1 LEU 45 5.106 8.270 -5.485 148 3HD1 LEU 45 3HD1 LEU 45 6.247 6.911 -5.634 149 1HD2 LEU 45 1HD2 LEU 45 5.874 5.171 -4.608 150 2HD2 LEU 45 2HD2 LEU 45 4.307 4.699 -3.907 151 3HD2 LEU 45 3HD2 LEU 45 4.706 4.246 -5.582 152 H GLU 46 H GLU 46 6.462 8.482 -3.829 153 HA GLU 46 HA GLU 46 7.944 6.169 -3.897 154 2HB GLU 46 2HB GLU 46 9.707 8.352 -3.329 155 2HG GLU 46 2HG GLU 46 9.062 7.982 -6.165 156 H VAL 47 H VAL 47 7.334 8.508 -1.248 157 HA VAL 47 HA VAL 47 9.301 7.456 0.488 158 HB VAL 47 HB VAL 47 8.011 8.732 2.200 159 1HG1 VAL 47 1HG1 VAL 47 9.800 9.667 0.583 160 2HG1 VAL 47 2HG1 VAL 47 8.433 10.456 -0.242 161 3HG1 VAL 47 3HG1 VAL 47 8.774 10.823 1.466 162 1HG2 VAL 47 1HG2 VAL 47 5.867 9.237 1.865 163 2HG2 VAL 47 2HG2 VAL 47 6.329 10.264 0.487 164 3HG2 VAL 47 3HG2 VAL 47 5.943 8.546 0.227 165 H ILE 48 H ILE 48 6.483 6.094 -0.784 166 HA ILE 48 HA ILE 48 6.126 4.439 1.616 167 HB ILE 48 HB ILE 48 4.072 4.395 -0.501 168 2HG1 ILE 48 2HG1 ILE 48 3.080 6.494 0.003 169 1HG2 ILE 48 1HG2 ILE 48 2.884 4.867 1.944 170 2HG2 ILE 48 2HG2 ILE 48 3.170 3.275 1.204 171 3HG2 ILE 48 3HG2 ILE 48 4.337 3.935 2.374 172 1HD1 ILE 48 1HD1 ILE 48 5.321 6.805 2.053 173 2HD1 ILE 48 2HD1 ILE 48 4.228 8.119 1.553 174 3HD1 ILE 48 3HD1 ILE 48 3.577 6.689 2.391 175 H LYS 49 H LYS 49 7.613 4.588 -1.402 176 HA LYS 49 HA LYS 49 7.009 2.118 -2.521 177 2HB LYS 49 2HB LYS 49 9.775 2.917 -2.924 178 2HG LYS 49 2HG LYS 49 8.625 1.687 -4.638 179 2HD LYS 49 2HD LYS 49 6.563 3.314 -5.612 180 2HE LYS 49 2HE LYS 49 6.827 0.721 -4.186 181 1HZ LYS 49 1HZ LYS 49 4.700 2.422 -3.560 182 2HZ LYS 49 2HZ LYS 49 4.128 1.154 -4.416 183 3HZ LYS 49 3HZ LYS 49 4.973 0.898 -3.042 184 HA PRO 50 HA PRO 50 10.487 0.462 0.229 185 2HB PRO 50 2HB PRO 50 12.190 1.915 0.769 186 2HG PRO 50 2HG PRO 50 11.645 4.149 0.587 187 2HD PRO 50 2HD PRO 50 9.924 4.027 -0.933 188 H TRP 51 H TRP 51 7.976 2.347 1.665 189 HA TRP 51 HA TRP 51 7.780 0.707 3.985 190 2HB TRP 51 2HB TRP 51 5.792 2.640 2.779 191 HD1 TRP 51 HD TRP 51 6.547 2.762 6.473 192 HE1 TRP 51 1HE TRP 51 4.525 1.915 7.944 193 HE3 TRP 51 3HE TRP 51 3.876 0.805 2.613 194 HZ2 TRP 51 2HZ TRP 51 2.091 0.551 7.341 195 HZ3 TRP 51 3HZ TRP 51 1.688 -0.266 3.140 196 HH2 TRP 51 HH TRP 51 0.787 -0.411 5.409 197 H ILE 52 H ILE 52 6.138 0.960 0.772 198 HA ILE 52 HA ILE 52 4.309 -1.132 1.334 199 HB ILE 52 HB ILE 52 5.067 0.561 -0.975 200 2HG1 ILE 52 2HG1 ILE 52 2.986 0.445 0.886 201 1HG2 ILE 52 1HG2 ILE 52 3.574 -2.051 -1.350 202 2HG2 ILE 52 2HG2 ILE 52 3.813 -0.781 -2.574 203 3HG2 ILE 52 3HG2 ILE 52 5.211 -1.687 -1.949 204 1HD1 ILE 52 1HD1 ILE 52 3.000 1.849 -1.824 205 2HD1 ILE 52 2HD1 ILE 52 2.111 2.348 -0.365 206 3HD1 ILE 52 3HD1 ILE 52 3.888 2.430 -0.395 207 H THR 53 H THR 53 7.370 -0.914 -0.604 208 HA THR 53 HA THR 53 7.430 -3.597 -1.354 209 HB THR 53 HB THR 53 9.728 -1.636 -0.834 210 HG1 THR 53 1HG THR 53 9.226 -1.179 -3.132 211 1HG2 THR 53 1HG2 THR 53 9.559 -3.731 -3.028 212 2HG2 THR 53 2HG2 THR 53 11.001 -2.922 -2.370 213 3HG2 THR 53 3HG2 THR 53 10.180 -4.185 -1.423 214 H LYS 54 H LYS 54 8.541 -1.966 1.640 215 HA LYS 54 HA LYS 54 9.810 -4.317 2.622 216 2HB LYS 54 2HB LYS 54 8.980 -1.741 3.992 217 2HG LYS 54 2HG LYS 54 11.221 -3.376 5.050 218 2HD LYS 54 2HD LYS 54 8.803 -2.412 6.591 219 2HE LYS 54 2HE LYS 54 11.808 -2.531 7.131 220 1HZ LYS 54 1HZ LYS 54 11.339 -1.613 9.172 221 2HZ LYS 54 2HZ LYS 54 10.437 -0.688 8.173 222 3HZ LYS 54 3HZ LYS 54 9.728 -1.857 9.066 223 H ARG 55 H ARG 55 6.567 -2.823 2.851 224 HA ARG 55 HA ARG 55 5.697 -4.467 4.926 225 2HB ARG 55 2HB ARG 55 3.375 -3.813 3.594 226 2HG ARG 55 2HG ARG 55 3.498 -1.608 4.896 227 2HD ARG 55 2HD ARG 55 4.396 -4.025 6.529 228 HE ARG 55 HE ARG 55 2.281 -2.201 7.445 229 1HH1 ARG 55 2HH2 ARG 55 5.736 -2.871 7.440 230 2HH1 ARG 55 1HH2 ARG 55 6.047 -1.944 8.870 231 1HH2 ARG 55 2HH1 ARG 55 2.692 -0.978 9.331 232 2HH2 ARG 55 1HH1 ARG 55 4.304 -0.861 9.953 233 H VAL 56 H VAL 56 5.269 -4.589 1.319 234 HA VAL 56 HA VAL 56 3.772 -6.952 1.303 235 HB VAL 56 HB VAL 56 4.446 -7.020 -1.091 236 1HG1 VAL 56 1HG1 VAL 56 2.612 -5.746 -1.205 237 2HG1 VAL 56 2HG1 VAL 56 3.019 -4.905 0.310 238 3HG1 VAL 56 3HG1 VAL 56 3.690 -4.330 -1.234 239 1HG2 VAL 56 1HG2 VAL 56 5.631 -4.619 -1.627 240 2HG2 VAL 56 2HG2 VAL 56 6.447 -5.076 -0.112 241 3HG2 VAL 56 3HG2 VAL 56 6.495 -6.172 -1.514 242 H THR 57 H THR 57 7.307 -6.278 1.171 243 HA THR 57 HA THR 57 8.067 -8.947 0.665 244 HB THR 57 HB THR 57 9.502 -6.551 1.925 245 HG1 THR 57 1HG THR 57 10.301 -6.574 -0.374 246 1HG2 THR 57 1HG2 THR 57 11.568 -7.670 1.513 247 2HG2 THR 57 2HG2 THR 57 10.563 -8.945 2.243 248 3HG2 THR 57 3HG2 THR 57 10.796 -8.896 0.479 249 H GLU 58 H GLU 58 7.551 -7.081 3.702 250 HA GLU 58 HA GLU 58 8.448 -9.217 5.302 251 2HB GLU 58 2HB GLU 58 7.055 -7.765 7.071 252 2HG GLU 58 2HG GLU 58 9.309 -6.173 5.958 253 H ILE 59 H ILE 59 5.383 -8.314 3.789 254 HA ILE 59 HA ILE 59 3.616 -9.660 5.440 255 HB ILE 59 HB ILE 59 3.651 -8.792 2.589 256 2HG1 ILE 59 2HG1 ILE 59 3.092 -7.399 4.733 257 1HG2 ILE 59 1HG2 ILE 59 1.411 -10.461 3.761 258 2HG2 ILE 59 2HG2 ILE 59 1.466 -9.714 2.147 259 3HG2 ILE 59 3HG2 ILE 59 2.589 -11.031 2.557 260 1HD1 ILE 59 1HD1 ILE 59 1.945 -7.447 2.006 261 2HD1 ILE 59 2HD1 ILE 59 0.925 -6.598 3.193 262 3HD1 ILE 59 3HD1 ILE 59 2.609 -6.082 2.935 263 H LEU 60 H LEU 60 5.542 -10.831 2.611 264 HA LEU 60 HA LEU 60 4.679 -13.543 3.272 265 2HB LEU 60 2HB LEU 60 4.598 -13.843 1.098 266 HG LEU 60 HG LEU 60 4.411 -11.189 1.089 267 1HD1 LEU 60 1HD1 LEU 60 6.070 -10.161 -0.389 268 2HD1 LEU 60 2HD1 LEU 60 6.817 -10.777 1.104 269 3HD1 LEU 60 3HD1 LEU 60 6.994 -11.682 -0.418 270 1HD2 LEU 60 1HD2 LEU 60 4.962 -12.428 -1.581 271 2HD2 LEU 60 2HD2 LEU 60 3.633 -13.063 -0.582 272 3HD2 LEU 60 3HD2 LEU 60 3.641 -11.350 -1.067 273 H GLY 61 H GLY 61 7.611 -11.489 2.784 274 1HA GLY 61 1HA GLY 61 9.286 -11.870 4.585 275 2HA GLY 61 2HA GLY 61 9.161 -13.576 4.198 276 H PHE 62 H PHE 62 8.665 -12.275 1.236 277 HA PHE 62 HA PHE 62 11.518 -11.888 0.691 278 2HB PHE 62 2HB PHE 62 11.073 -14.138 -0.044 279 HD1 PHE 62 1HD PHE 62 9.239 -15.292 0.961 280 HD2 PHE 62 2HD PHE 62 8.566 -12.689 -2.323 281 HE1 PHE 62 1HE PHE 62 6.916 -16.209 0.711 282 HE2 PHE 62 2HE PHE 62 6.243 -13.605 -2.572 283 HZ PHE 62 HZ PHE 62 5.446 -15.354 -1.053 284 H GLU 63 H GLU 63 11.968 -10.659 -1.294 285 HA GLU 63 HA GLU 63 10.182 -8.520 -1.549 286 2HB GLU 63 2HB GLU 63 12.588 -9.313 -3.250 287 2HG GLU 63 2HG GLU 63 12.236 -6.496 -3.156 288 H ASP 64 H ASP 64 8.215 -8.701 -2.541 289 HA ASP 64 HA ASP 64 7.732 -10.696 -4.447 290 2HB ASP 64 2HB ASP 64 5.923 -8.326 -4.407 291 H ASP 65 H ASP 65 6.017 -8.965 -6.237 292 HA ASP 65 HA ASP 65 7.647 -7.007 -7.395 293 2HB ASP 65 2HB ASP 65 7.439 -8.701 -9.635 294 H VAL 66 H VAL 66 5.197 -9.617 -8.049 295 HA VAL 66 HA VAL 66 3.715 -8.142 -9.919 296 HB VAL 66 HB VAL 66 3.802 -10.707 -9.060 297 1HG1 VAL 66 1HG1 VAL 66 1.579 -11.263 -8.102 298 2HG1 VAL 66 2HG1 VAL 66 2.583 -10.289 -7.000 299 3HG1 VAL 66 3HG1 VAL 66 1.254 -9.524 -7.904 300 1HG2 VAL 66 1HG2 VAL 66 2.771 -10.894 -11.027 301 2HG2 VAL 66 2HG2 VAL 66 1.243 -10.359 -10.286 302 3HG2 VAL 66 3HG2 VAL 66 2.362 -9.161 -10.983 303 H VAL 67 H VAL 67 3.428 -8.592 -6.343 304 HA VAL 67 HA VAL 67 1.093 -6.987 -6.170 305 HB VAL 67 HB VAL 67 1.179 -7.427 -3.917 306 1HG1 VAL 67 1HG1 VAL 67 1.636 -9.729 -3.670 307 2HG1 VAL 67 2HG1 VAL 67 1.272 -9.519 -5.399 308 3HG1 VAL 67 3HG1 VAL 67 2.959 -9.684 -4.858 309 1HG2 VAL 67 1HG2 VAL 67 3.367 -8.060 -2.742 310 2HG2 VAL 67 2HG2 VAL 67 4.192 -7.449 -4.196 311 3HG2 VAL 67 3HG2 VAL 67 3.169 -6.359 -3.229 312 H ILE 68 H ILE 68 4.633 -6.451 -5.804 313 HA ILE 68 HA ILE 68 4.438 -3.846 -4.807 314 HB ILE 68 HB ILE 68 6.627 -5.153 -6.426 315 2HG1 ILE 68 2HG1 ILE 68 5.850 -6.335 -4.306 316 1HG2 ILE 68 1HG2 ILE 68 6.869 -2.731 -6.393 317 2HG2 ILE 68 2HG2 ILE 68 6.696 -2.719 -4.621 318 3HG2 ILE 68 3HG2 ILE 68 8.108 -3.501 -5.372 319 1HD1 ILE 68 1HD1 ILE 68 8.646 -5.422 -3.792 320 2HD1 ILE 68 2HD1 ILE 68 8.002 -7.072 -3.975 321 3HD1 ILE 68 3HD1 ILE 68 8.333 -6.081 -5.417 322 H GLU 69 H GLU 69 4.794 -5.118 -8.182 323 HA GLU 69 HA GLU 69 4.910 -2.668 -9.405 324 2HB GLU 69 2HB GLU 69 3.550 -4.316 -11.217 325 2HG GLU 69 2HG GLU 69 6.475 -4.805 -10.910 326 H PHE 70 H PHE 70 2.077 -4.655 -8.404 327 HA PHE 70 HA PHE 70 0.106 -3.193 -9.673 328 2HB PHE 70 2HB PHE 70 -1.046 -4.034 -7.307 329 HD1 PHE 70 1HD PHE 70 -0.290 -7.146 -7.585 330 HD2 PHE 70 2HD PHE 70 -1.553 -4.097 -10.253 331 HE1 PHE 70 1HE PHE 70 -1.293 -8.882 -9.096 332 HE2 PHE 70 2HE PHE 70 -2.556 -5.833 -11.762 333 HZ PHE 70 HZ PHE 70 -2.414 -8.205 -11.166 334 H ILE 71 H ILE 71 1.597 -2.752 -6.401 335 HA ILE 71 HA ILE 71 -0.067 -0.537 -5.778 336 HB ILE 71 HB ILE 71 2.508 -1.532 -4.553 337 2HG1 ILE 71 2HG1 ILE 71 -0.077 -2.667 -4.580 338 1HG2 ILE 71 1HG2 ILE 71 1.247 -0.226 -2.553 339 2HG2 ILE 71 2HG2 ILE 71 2.492 0.508 -3.593 340 3HG2 ILE 71 3HG2 ILE 71 0.768 0.783 -3.938 341 1HD1 ILE 71 1HD1 ILE 71 1.735 -3.435 -2.364 342 2HD1 ILE 71 2HD1 ILE 71 1.080 -4.423 -3.691 343 3HD1 ILE 71 3HD1 ILE 71 2.516 -3.407 -3.963 344 H PHE 72 H PHE 72 3.272 -0.970 -7.071 345 HA PHE 72 HA PHE 72 3.921 1.752 -7.039 346 2HB PHE 72 2HB PHE 72 4.945 -0.052 -9.224 347 HD1 PHE 72 1HD PHE 72 7.397 -0.590 -7.177 348 HD2 PHE 72 2HD PHE 72 5.424 2.831 -8.731 349 HE1 PHE 72 1HE PHE 72 9.486 0.765 -6.849 350 HE2 PHE 72 2HE PHE 72 7.512 4.185 -8.403 351 HZ PHE 72 HZ PHE 72 9.518 3.135 -7.465 352 H ASN 73 H ASN 73 2.609 -0.398 -9.653 353 HA ASN 73 HA ASN 73 2.592 1.560 -11.597 354 2HB ASN 73 2HB ASN 73 0.592 0.005 -12.480 355 1HD2 ASN 73 1HD2 ASN 73 3.459 -1.451 -10.969 356 2HD2 ASN 73 2HD2 ASN 73 4.335 -1.784 -12.426 357 H GLN 74 H GLN 74 0.202 0.523 -9.100 358 HA GLN 74 HA GLN 74 -1.861 2.165 -10.083 359 2HB GLN 74 2HB GLN 74 -2.740 1.705 -7.624 360 2HG GLN 74 2HG GLN 74 -3.819 0.498 -9.342 361 1HE2 GLN 74 1HE2 GLN 74 -2.160 -2.316 -9.397 362 2HE2 GLN 74 2HE2 GLN 74 -1.334 -2.203 -10.915 363 H LEU 75 H LEU 75 0.717 2.498 -7.603 364 HA LEU 75 HA LEU 75 -0.293 5.027 -6.705 365 2HB LEU 75 2HB LEU 75 1.942 5.028 -5.481 366 HG LEU 75 HG LEU 75 0.334 2.532 -4.924 367 1HD1 LEU 75 1HD1 LEU 75 2.372 4.114 -3.495 368 2HD1 LEU 75 2HD1 LEU 75 0.954 3.655 -2.523 369 3HD1 LEU 75 3HD1 LEU 75 1.918 2.401 -3.338 370 1HD2 LEU 75 1HD2 LEU 75 -0.786 4.401 -3.292 371 2HD2 LEU 75 2HD2 LEU 75 -0.510 5.354 -4.771 372 3HD2 LEU 75 3HD2 LEU 75 -1.475 3.859 -4.841 373 H GLU 76 H GLU 76 1.180 4.002 -9.534 374 HA GLU 76 HA GLU 76 2.991 6.189 -9.787 375 2HB GLU 76 2HB GLU 76 2.759 5.213 -12.325 376 2HG GLU 76 2HG GLU 76 4.279 3.272 -10.819 377 H VAL 77 H VAL 77 -0.341 5.975 -9.796 378 HA VAL 77 HA VAL 77 -0.632 7.993 -11.904 379 HB VAL 77 HB VAL 77 -2.885 7.357 -12.069 380 1HG1 VAL 77 1HG1 VAL 77 -1.691 5.752 -13.255 381 2HG1 VAL 77 2HG1 VAL 77 -0.999 5.027 -11.785 382 3HG1 VAL 77 3HG1 VAL 77 -2.710 4.755 -12.190 383 1HG2 VAL 77 1HG2 VAL 77 -3.065 5.276 -10.032 384 2HG2 VAL 77 2HG2 VAL 77 -2.745 6.878 -9.326 385 3HG2 VAL 77 3HG2 VAL 77 -4.161 6.636 -10.378 386 H LYS 78 H LYS 78 -2.939 9.276 -11.071 387 HA LYS 78 HA LYS 78 -1.921 10.670 -8.716 388 2HB LYS 78 2HB LYS 78 -3.457 12.482 -9.452 389 2HG LYS 78 2HG LYS 78 -0.989 11.941 -10.389 390 2HD LYS 78 2HD LYS 78 -2.458 12.216 -13.005 391 2HE LYS 78 2HE LYS 78 -0.079 10.460 -12.714 392 1HZ LYS 78 1HZ LYS 78 0.432 12.444 -14.423 393 2HZ LYS 78 2HZ LYS 78 -0.291 11.037 -14.832 394 3HZ LYS 78 3HZ LYS 78 -1.196 12.360 -14.524 395 H ASN 79 H ASN 79 -4.372 8.442 -9.788 396 HA ASN 79 HA ASN 79 -5.556 8.662 -7.152 397 2HB ASN 79 2HB ASN 79 -7.649 7.934 -8.995 398 1HD2 ASN 79 1HD2 ASN 79 -6.262 11.015 -7.856 399 2HD2 ASN 79 2HD2 ASN 79 -7.540 11.443 -6.769 400 HA PRO 80 HA PRO 80 -4.641 4.375 -8.222 401 2HB PRO 80 2HB PRO 80 -2.751 4.204 -6.918 402 2HG PRO 80 2HG PRO 80 -2.428 5.960 -5.457 403 2HD PRO 80 2HD PRO 80 -3.615 7.609 -6.531 404 H ASP 81 H ASP 81 -5.631 2.316 -7.840 405 HA ASP 81 HA ASP 81 -8.231 2.806 -6.664 406 2HB ASP 81 2HB ASP 81 -7.164 0.523 -8.390 407 H SER 82 H SER 82 -8.235 2.294 -4.457 408 HA SER 82 HA SER 82 -6.379 0.569 -3.320 409 2HB SER 82 2HB SER 82 -7.445 2.302 -1.995 410 HG SER 82 HG SER 82 -9.548 2.649 -2.104 411 H LYS 83 H LYS 83 -9.656 0.120 -4.665 412 HA LYS 83 HA LYS 83 -10.227 -2.353 -3.522 413 2HB LYS 83 2HB LYS 83 -11.778 -2.576 -5.501 414 2HG LYS 83 2HG LYS 83 -11.883 -0.864 -3.282 415 2HD LYS 83 2HD LYS 83 -13.294 0.744 -5.332 416 2HE LYS 83 2HE LYS 83 -11.296 1.935 -3.453 417 1HZ LYS 83 1HZ LYS 83 -14.165 2.404 -3.873 418 2HZ LYS 83 2HZ LYS 83 -13.123 3.385 -3.087 419 3HZ LYS 83 3HZ LYS 83 -12.981 3.167 -4.700 420 H MET 84 H MET 84 -8.432 -1.440 -6.515 421 HA MET 84 HA MET 84 -8.074 -4.115 -7.302 422 2HB MET 84 2HB MET 84 -5.984 -2.390 -8.332 423 2HG MET 84 2HG MET 84 -7.647 -2.409 -10.374 424 1HE MET 84 1HE MET 84 -6.638 -5.843 -8.063 425 2HE MET 84 2HE MET 84 -8.247 -5.553 -8.767 426 3HE MET 84 3HE MET 84 -7.143 -6.730 -9.520 427 H MET 85 H MET 85 -6.228 -1.798 -5.292 428 HA MET 85 HA MET 85 -3.835 -3.185 -5.277 429 2HB MET 85 2HB MET 85 -4.480 -1.865 -2.717 430 2HG MET 85 2HG MET 85 -2.195 -2.102 -3.883 431 1HE MET 85 1HE MET 85 -3.312 1.269 -4.229 432 2HE MET 85 2HE MET 85 -2.172 1.776 -5.499 433 3HE MET 85 3HE MET 85 -3.881 1.488 -5.901 434 H GLN 86 H GLN 86 -6.605 -3.246 -2.923 435 HA GLN 86 HA GLN 86 -5.417 -5.214 -1.333 436 2HB GLN 86 2HB GLN 86 -8.338 -5.194 -1.193 437 2HG GLN 86 2HG GLN 86 -6.810 -3.726 0.862 438 1HE2 GLN 86 1HE2 GLN 86 -7.909 -7.057 0.224 439 2HE2 GLN 86 2HE2 GLN 86 -9.141 -7.119 1.439 440 H ILE 87 H ILE 87 -7.505 -5.269 -4.220 441 HA ILE 87 HA ILE 87 -8.248 -7.988 -3.977 442 HB ILE 87 HB ILE 87 -8.398 -5.865 -6.063 443 2HG1 ILE 87 2HG1 ILE 87 -10.070 -6.487 -4.098 444 1HG2 ILE 87 1HG2 ILE 87 -8.759 -8.822 -6.596 445 2HG2 ILE 87 2HG2 ILE 87 -9.433 -7.535 -7.625 446 3HG2 ILE 87 3HG2 ILE 87 -7.671 -7.682 -7.424 447 1HD1 ILE 87 1HD1 ILE 87 -10.229 -5.072 -6.525 448 2HD1 ILE 87 2HD1 ILE 87 -11.657 -6.135 -6.538 449 3HD1 ILE 87 3HD1 ILE 87 -11.400 -5.005 -5.185 450 H ASN 88 H ASN 88 -5.558 -6.214 -5.574 451 HA ASN 88 HA ASN 88 -4.582 -8.517 -6.854 452 2HB ASN 88 2HB ASN 88 -2.391 -6.876 -6.733 453 1HD2 ASN 88 1HD2 ASN 88 -3.641 -4.558 -8.194 454 2HD2 ASN 88 2HD2 ASN 88 -4.072 -5.165 -9.758 455 H LEU 89 H LEU 89 -3.819 -6.678 -3.828 456 HA LEU 89 HA LEU 89 -1.555 -8.100 -3.079 457 2HB LEU 89 2HB LEU 89 -2.344 -7.340 -0.731 458 HG LEU 89 HG LEU 89 -2.116 -5.066 -2.699 459 1HD1 LEU 89 1HD1 LEU 89 -1.037 -3.906 -0.912 460 2HD1 LEU 89 2HD1 LEU 89 -2.534 -4.623 -0.269 461 3HD1 LEU 89 3HD1 LEU 89 -0.962 -5.381 0.081 462 1HD2 LEU 89 1HD2 LEU 89 -0.326 -6.170 -3.538 463 2HD2 LEU 89 2HD2 LEU 89 0.463 -5.480 -2.100 464 3HD2 LEU 89 3HD2 LEU 89 -0.107 -7.166 -2.080 465 H THR 90 H THR 90 -5.058 -8.688 -2.414 466 HA THR 90 HA THR 90 -4.688 -10.883 -0.729 467 HB THR 90 HB THR 90 -6.970 -10.225 -2.666 468 HG1 THR 90 1HG THR 90 -6.503 -9.616 0.163 469 1HG2 THR 90 1HG2 THR 90 -7.883 -12.121 -1.735 470 2HG2 THR 90 2HG2 THR 90 -6.601 -12.226 -0.504 471 3HG2 THR 90 3HG2 THR 90 -8.001 -11.157 -0.242 472 H GLY 91 H GLY 91 -4.197 -10.536 -4.170 473 1HA GLY 91 1HA GLY 91 -4.622 -13.246 -4.899 474 2HA GLY 91 2HA GLY 91 -3.733 -12.028 -5.793 475 H PHE 92 H PHE 92 -1.989 -11.480 -3.308 476 HA PHE 92 HA PHE 92 -0.302 -13.862 -3.623 477 2HB PHE 92 2HB PHE 92 1.067 -11.504 -2.597 478 HD1 PHE 92 1HD PHE 92 0.315 -12.351 -6.146 479 HD2 PHE 92 2HD PHE 92 3.159 -12.433 -2.998 480 HE1 PHE 92 1HE PHE 92 2.064 -13.171 -7.748 481 HE2 PHE 92 2HE PHE 92 4.910 -13.253 -4.601 482 HZ PHE 92 HZ PHE 92 4.340 -13.612 -6.956 483 H LEU 93 H LEU 93 -1.447 -11.283 -1.365 484 HA LEU 93 HA LEU 93 -0.128 -12.351 0.884 485 2HB LEU 93 2HB LEU 93 -1.385 -10.779 2.140 486 HG LEU 93 HG LEU 93 -1.388 -9.191 -0.370 487 1HD1 LEU 93 1HD1 LEU 93 -1.720 -8.060 1.719 488 2HD1 LEU 93 2HD1 LEU 93 -0.257 -8.800 2.411 489 3HD1 LEU 93 3HD1 LEU 93 -0.115 -7.619 1.088 490 1HD2 LEU 93 1HD2 LEU 93 0.975 -10.771 0.547 491 2HD2 LEU 93 2HD2 LEU 93 0.472 -10.299 -1.094 492 3HD2 LEU 93 3HD2 LEU 93 1.237 -9.103 -0.020 493 H ASN 94 H ASN 94 -2.125 -12.568 2.860 494 HA ASN 94 HA ASN 94 -3.132 -15.165 2.126 495 2HB ASN 94 2HB ASN 94 -3.824 -15.056 4.689 496 1HD2 ASN 94 1HD2 ASN 94 -0.575 -13.850 4.049 497 2HD2 ASN 94 2HD2 ASN 94 0.278 -15.343 4.260 498 H GLY 95 H GLY 95 -4.128 -11.892 2.185 499 1HA GLY 95 1HA GLY 95 -6.304 -11.387 1.314 500 2HA GLY 95 2HA GLY 95 -6.972 -12.685 2.281 501 H LYS 96 H LYS 96 -5.780 -12.301 4.792 502 HA LYS 96 HA LYS 96 -7.270 -10.036 5.695 503 2HB LYS 96 2HB LYS 96 -5.449 -11.832 7.314 504 2HG LYS 96 2HG LYS 96 -7.389 -9.690 7.877 505 2HD LYS 96 2HD LYS 96 -7.773 -11.729 9.926 506 2HE LYS 96 2HE LYS 96 -9.310 -9.711 8.407 507 1HZ LYS 96 1HZ LYS 96 -10.435 -11.797 7.796 508 2HZ LYS 96 2HZ LYS 96 -10.707 -12.105 9.377 509 3HZ LYS 96 3HZ LYS 96 -11.376 -10.792 8.673 510 H ASN 97 H ASN 97 -3.871 -10.844 5.009 511 HA ASN 97 HA ASN 97 -2.766 -8.729 6.430 512 2HB ASN 97 2HB ASN 97 -1.145 -9.245 4.121 513 1HD2 ASN 97 1HD2 ASN 97 -0.201 -11.823 5.367 514 2HD2 ASN 97 2HD2 ASN 97 0.666 -11.364 6.794 515 H ALA 98 H ALA 98 -4.197 -9.107 3.170 516 HA ALA 98 HA ALA 98 -3.203 -6.760 2.017 517 1HB ALA 98 1HB ALA 98 -5.922 -7.642 1.231 518 2HB ALA 98 2HB ALA 98 -4.453 -7.443 0.245 519 3HB ALA 98 3HB ALA 98 -4.687 -8.923 1.205 520 H ARG 99 H ARG 99 -6.104 -7.470 4.035 521 HA ARG 99 HA ARG 99 -7.218 -4.944 3.715 522 2HB ARG 99 2HB ARG 99 -8.513 -5.586 5.831 523 2HG ARG 99 2HG ARG 99 -8.613 -8.081 4.234 524 2HD ARG 99 2HD ARG 99 -10.968 -7.307 3.898 525 HE ARG 99 HE ARG 99 -9.789 -7.594 6.568 526 1HH1 ARG 99 2HH2 ARG 99 -12.775 -7.149 4.760 527 2HH1 ARG 99 1HH2 ARG 99 -13.782 -7.789 6.016 528 1HH2 ARG 99 2HH1 ARG 99 -11.117 -8.440 8.226 529 2HH2 ARG 99 1HH1 ARG 99 -12.833 -8.529 8.001 530 H GLU 100 H GLU 100 -4.905 -6.374 6.072 531 HA GLU 100 HA GLU 100 -4.943 -4.123 7.767 532 2HB GLU 100 2HB GLU 100 -2.593 -5.375 8.388 533 2HG GLU 100 2HG GLU 100 -4.874 -7.004 9.271 534 H PHE 101 H PHE 101 -2.924 -5.244 5.016 535 HA PHE 101 HA PHE 101 -0.889 -3.351 5.314 536 2HB PHE 101 2HB PHE 101 -2.135 -4.894 2.967 537 HD1 PHE 101 1HD PHE 101 -1.995 -2.959 1.396 538 HD2 PHE 101 2HD PHE 101 1.441 -4.537 3.323 539 HE1 PHE 101 1HE PHE 101 -0.525 -1.814 -0.287 540 HE2 PHE 101 2HE PHE 101 2.910 -3.393 1.641 541 HZ PHE 101 HZ PHE 101 1.910 -2.046 -0.144 542 H MET 102 H MET 102 -3.898 -3.356 3.281 543 HA MET 102 HA MET 102 -3.385 -0.871 2.147 544 2HB MET 102 2HB MET 102 -6.142 -1.105 2.088 545 2HG MET 102 2HG MET 102 -4.992 -3.122 0.312 546 1HE MET 102 1HE MET 102 -4.560 0.551 -0.142 547 2HE MET 102 2HE MET 102 -4.459 -0.103 -1.795 548 3HE MET 102 3HE MET 102 -5.784 1.003 -1.354 549 H GLY 103 H GLY 103 -4.851 -1.866 5.231 550 1HA GLY 103 1HA GLY 103 -5.996 0.730 5.774 551 2HA GLY 103 2HA GLY 103 -5.935 -0.663 6.836 552 H GLU 104 H GLU 104 -2.885 0.073 5.343 553 HA GLU 104 HA GLU 104 -2.116 1.618 7.688 554 2HB GLU 104 2HB GLU 104 0.151 0.310 7.439 555 2HG GLU 104 2HG GLU 104 -1.684 -1.708 8.457 556 H LEU 105 H LEU 105 -1.771 0.822 4.246 557 HA LEU 105 HA LEU 105 0.215 2.934 3.929 558 2HB LEU 105 2HB LEU 105 -0.331 0.435 2.653 559 HG LEU 105 HG LEU 105 0.170 1.145 0.315 560 1HD1 LEU 105 1HD1 LEU 105 -2.277 0.815 1.571 561 2HD1 LEU 105 2HD1 LEU 105 -2.490 2.300 0.612 562 3HD1 LEU 105 3HD1 LEU 105 -1.972 0.793 -0.183 563 1HD2 LEU 105 1HD2 LEU 105 0.495 3.660 1.388 564 2HD2 LEU 105 2HD2 LEU 105 0.354 3.270 -0.343 565 3HD2 LEU 105 3HD2 LEU 105 -1.084 3.777 0.576 566 H TRP 106 H TRP 106 -3.156 2.019 3.122 567 HA TRP 106 HA TRP 106 -3.674 4.104 1.348 568 2HB TRP 106 2HB TRP 106 -5.704 2.929 3.233 569 HD1 TRP 106 HD TRP 106 -7.875 4.229 2.594 570 HE1 TRP 106 1HE TRP 106 -9.082 5.120 0.424 571 HE3 TRP 106 3HE TRP 106 -4.184 2.901 -0.641 572 HZ2 TRP 106 2HZ TRP 106 -8.374 5.169 -2.340 573 HZ3 TRP 106 3HZ TRP 106 -4.522 3.406 -3.059 574 HH2 TRP 106 HH TRP 106 -6.528 4.500 -3.923 575 HA PRO 107 HA PRO 107 -4.773 6.450 5.340 576 2HB PRO 107 2HB PRO 107 -5.433 5.189 7.151 577 2HG PRO 107 2HG PRO 107 -4.781 2.978 7.074 578 2HD PRO 107 2HD PRO 107 -4.531 2.704 4.805 579 H LEU 108 H LEU 108 -1.668 4.966 5.034 580 HA LEU 108 HA LEU 108 -0.180 6.923 6.329 581 2HB LEU 108 2HB LEU 108 1.154 5.796 4.015 582 HG LEU 108 HG LEU 108 1.767 6.256 6.722 583 1HD1 LEU 108 1HD1 LEU 108 2.705 4.021 7.386 584 2HD1 LEU 108 2HD1 LEU 108 0.929 4.141 7.427 585 3HD1 LEU 108 3HD1 LEU 108 1.733 3.299 6.080 586 1HD2 LEU 108 1HD2 LEU 108 3.870 6.260 5.935 587 2HD2 LEU 108 2HD2 LEU 108 3.703 4.662 5.169 588 3HD2 LEU 108 3HD2 LEU 108 3.084 6.113 4.344 589 H LEU 109 H LEU 109 -1.425 6.700 2.955 590 HA LEU 109 HA LEU 109 -0.110 9.086 2.144 591 2HB LEU 109 2HB LEU 109 -1.265 8.809 0.099 592 HG LEU 109 HG LEU 109 -0.549 6.146 1.317 593 1HD1 LEU 109 1HD1 LEU 109 -0.705 5.342 -1.153 594 2HD1 LEU 109 2HD1 LEU 109 -2.171 5.384 -0.144 595 3HD1 LEU 109 3HD1 LEU 109 -1.868 6.678 -1.329 596 1HD2 LEU 109 1HD2 LEU 109 0.749 8.116 -0.524 597 2HD2 LEU 109 2HD2 LEU 109 1.423 7.219 0.859 598 3HD2 LEU 109 3HD2 LEU 109 1.142 6.388 -0.690 599 H LEU 110 H LEU 110 -3.222 8.244 3.652 600 HA LEU 110 HA LEU 110 -4.631 10.550 3.094 601 2HB LEU 110 2HB LEU 110 -5.556 9.946 5.528 602 HG LEU 110 HG LEU 110 -7.182 9.480 4.027 603 1HD1 LEU 110 1HD1 LEU 110 -6.131 9.686 1.982 604 2HD1 LEU 110 2HD1 LEU 110 -4.979 8.370 2.316 605 3HD1 LEU 110 3HD1 LEU 110 -6.678 7.992 1.943 606 1HD2 LEU 110 1HD2 LEU 110 -6.378 6.624 3.899 607 2HD2 LEU 110 2HD2 LEU 110 -6.546 7.343 5.518 608 3HD2 LEU 110 3HD2 LEU 110 -7.918 7.370 4.386 609 H SER 111 H SER 111 -2.146 9.874 5.609 610 HA SER 111 HA SER 111 -2.499 12.438 6.772 611 2HB SER 111 2HB SER 111 -0.232 10.422 7.108 612 HG SER 111 HG SER 111 0.492 12.218 8.149 613 H ALA 112 H ALA 112 -0.179 10.842 4.515 614 HA ALA 112 HA ALA 112 1.684 12.900 4.380 615 1HB ALA 112 1HB ALA 112 1.609 11.699 1.852 616 2HB ALA 112 2HB ALA 112 2.586 11.174 3.245 617 3HB ALA 112 3HB ALA 112 0.990 10.443 2.951 618 H GLN 113 H GLN 113 -1.319 12.266 2.458 619 HA GLN 113 HA GLN 113 -0.983 14.390 0.729 620 2HB GLN 113 2HB GLN 113 -2.601 12.520 0.412 621 2HG GLN 113 2HG GLN 113 -3.959 13.897 2.753 622 1HE2 GLN 113 1HE2 GLN 113 -4.528 11.344 0.327 623 2HE2 GLN 113 2HE2 GLN 113 -6.219 11.639 0.093 624 H GLU 114 H GLU 114 -1.761 14.315 4.116 625 HA GLU 114 HA GLU 114 -3.090 16.863 4.023 626 2HB GLU 114 2HB GLU 114 -3.114 16.536 6.568 627 2HG GLU 114 2HG GLU 114 -4.397 14.077 5.896 628 H ASN 115 H ASN 115 0.111 15.671 4.063 629 HA ASN 115 HA ASN 115 1.156 17.758 5.706 630 2HB ASN 115 2HB ASN 115 3.142 16.437 4.008 631 1HD2 ASN 115 1HD2 ASN 115 1.824 15.118 6.978 632 2HD2 ASN 115 2HD2 ASN 115 3.054 15.677 8.061 633 H ILE 116 H ILE 116 3.552 18.332 4.120 634 HA ILE 116 HA ILE 116 2.331 19.823 1.902 635 HB ILE 116 HB ILE 116 3.296 21.016 3.998 636 2HG1 ILE 116 2HG1 ILE 116 3.696 22.942 2.708 637 1HG2 ILE 116 1HG2 ILE 116 5.788 20.119 2.565 638 2HG2 ILE 116 2HG2 ILE 116 5.756 21.618 3.524 639 3HG2 ILE 116 3HG2 ILE 116 5.399 20.057 4.300 640 1HD1 ILE 116 1HD1 ILE 116 5.084 22.936 0.923 641 2HD1 ILE 116 2HD1 ILE 116 5.211 21.166 1.046 642 3HD1 ILE 116 3HD1 ILE 116 3.949 21.899 0.027 643 H ALA 117 H ALA 117 5.128 17.886 3.061 644 HA ALA 117 HA ALA 117 6.224 17.848 0.374 645 1HB ALA 117 1HB ALA 117 7.877 16.265 1.734 646 2HB ALA 117 2HB ALA 117 7.954 18.035 1.900 647 3HB ALA 117 3HB ALA 117 7.117 17.061 3.133 648 H GLY 118 H GLY 118 3.569 16.514 1.532 649 1HA GLY 118 1HA GLY 118 2.396 14.642 1.124 650 2HA GLY 118 2HA GLY 118 3.465 14.379 -0.240 651 H ILE 119 H ILE 119 4.317 14.492 3.274 652 HA ILE 119 HA ILE 119 5.070 11.661 3.040 653 HB ILE 119 HB ILE 119 6.630 14.017 3.846 654 2HG1 ILE 119 2HG1 ILE 119 7.159 11.274 2.712 655 1HG2 ILE 119 1HG2 ILE 119 6.254 13.093 6.062 656 2HG2 ILE 119 2HG2 ILE 119 6.756 11.480 5.500 657 3HG2 ILE 119 3HG2 ILE 119 7.936 12.812 5.548 658 1HD1 ILE 119 1HD1 ILE 119 8.242 12.718 0.939 659 2HD1 ILE 119 2HD1 ILE 119 6.489 12.979 1.103 660 3HD1 ILE 119 3HD1 ILE 119 7.632 14.148 1.805 661 HA PRO 120 HA PRO 120 2.440 11.225 6.451 662 2HB PRO 120 2HB PRO 120 1.929 9.059 5.857 663 2HG PRO 120 2HG PRO 120 3.450 8.065 4.437 664 2HD PRO 120 2HD PRO 120 4.373 9.930 3.458 665 H SER 121 H SER 121 2.299 11.365 8.697 666 HA SER 121 HA SER 121 4.578 12.419 9.832 667 2HB SER 121 2HB SER 121 2.148 12.718 10.566 668 HG SER 121 HG SER 121 1.847 10.290 10.787 669 H ALA 122 H ALA 122 3.698 9.141 9.188 670 HA ALA 122 HA ALA 122 4.815 7.816 11.366 671 1HB ALA 122 1HB ALA 122 3.416 6.628 9.838 672 2HB ALA 122 2HB ALA 122 4.419 7.094 8.443 673 3HB ALA 122 3HB ALA 122 5.046 5.938 9.643 674 H PHE 123 H PHE 123 6.251 9.441 8.553 675 HA PHE 123 HA PHE 123 8.858 8.332 9.240 676 2HB PHE 123 2HB PHE 123 9.468 9.397 7.047 677 HD1 PHE 123 1HD PHE 123 7.582 9.229 4.749 678 HD2 PHE 123 2HD PHE 123 7.951 6.795 8.205 679 HE1 PHE 123 1HE PHE 123 6.604 7.292 3.488 680 HE2 PHE 123 2HE PHE 123 6.973 4.857 6.944 681 HZ PHE 123 HZ PHE 123 6.311 5.128 4.600 682 H LEU 124 H LEU 124 7.041 11.435 8.985 683 HA LEU 124 HA LEU 124 9.073 13.208 9.378 684 2HB LEU 124 2HB LEU 124 7.383 14.697 10.301 685 HG LEU 124 HG LEU 124 6.236 12.966 8.092 686 1HD1 LEU 124 1HD1 LEU 124 5.428 15.815 8.502 687 2HD1 LEU 124 2HD1 LEU 124 4.539 14.464 7.758 688 3HD1 LEU 124 3HD1 LEU 124 4.696 14.559 9.529 689 1HD2 LEU 124 1HD2 LEU 124 8.241 13.828 7.258 690 2HD2 LEU 124 2HD2 LEU 124 7.008 14.980 6.693 691 3HD2 LEU 124 3HD2 LEU 124 8.031 15.388 8.091 692 H GLU 125 H GLU 125 6.958 11.954 12.060 693 HA GLU 125 HA GLU 125 8.527 12.895 14.074 694 2HB GLU 125 2HB GLU 125 6.769 10.405 13.994 695 2HG GLU 125 2HG GLU 125 8.526 11.356 16.074 696 H LEU 126 H LEU 126 8.501 9.509 12.730 697 HA LEU 126 HA LEU 126 10.574 8.520 14.221 698 2HB LEU 126 2HB LEU 126 10.901 7.152 11.948 699 HG LEU 126 HG LEU 126 8.591 6.961 13.880 700 1HD1 LEU 126 1HD1 LEU 126 8.719 5.807 11.240 701 2HD1 LEU 126 2HD1 LEU 126 8.758 4.529 12.479 702 3HD1 LEU 126 3HD1 LEU 126 7.429 5.713 12.463 703 1HD2 LEU 126 1HD2 LEU 126 9.982 4.662 14.123 704 2HD2 LEU 126 2HD2 LEU 126 11.286 5.760 13.610 705 3HD2 LEU 126 3HD2 LEU 126 10.326 6.134 15.062 706 H LYS 127 H LYS 127 12.742 7.725 12.892 707 HA LYS 127 HA LYS 127 13.859 10.106 11.613 708 2HB LYS 127 2HB LYS 127 14.448 10.234 13.991 709 2HG LYS 127 2HG LYS 127 14.679 7.428 13.807 710 2HD LYS 127 2HD LYS 127 17.207 8.488 13.149 711 2HE LYS 127 2HE LYS 127 18.005 7.213 15.598 712 1HZ LYS 127 1HZ LYS 127 18.940 9.507 15.903 713 2HZ LYS 127 2HZ LYS 127 19.392 8.724 14.544 714 3HZ LYS 127 3HZ LYS 127 18.263 9.902 14.471 715 H LYS 128 H LYS 128 16.284 9.369 10.875 716 HA LYS 128 HA LYS 128 17.213 8.257 9.174 717 2HB LYS 128 2HB LYS 128 17.268 5.635 9.957 718 2HG LYS 128 2HG LYS 128 18.837 8.027 11.025 719 2HD LYS 128 2HD LYS 128 18.870 5.364 11.998 720 2HE LYS 128 2HE LYS 128 21.601 5.501 11.074 721 1HZ LYS 128 1HZ LYS 128 20.615 3.502 11.742 722 2HZ LYS 128 2HZ LYS 128 19.379 3.630 10.681 723 3HZ LYS 128 3HZ LYS 128 20.890 3.328 10.141 724 H GLU 129 H GLU 129 15.606 8.724 7.557 725 HA GLU 129 HA GLU 129 13.352 7.136 7.235 726 2HB GLU 129 2HB GLU 129 14.786 8.601 4.991 727 2HG GLU 129 2HG GLU 129 11.997 7.646 5.572 728 H GLU 130 H GLU 130 12.928 5.279 5.992 729 HA GLU 130 HA GLU 130 14.835 3.405 5.776 730 2HB GLU 130 2HB GLU 130 12.818 3.280 3.599 731 2HG GLU 130 2HG GLU 130 14.086 1.558 5.603 732 H ILE 131 H ILE 131 15.657 2.304 3.656 733 HA ILE 131 HA ILE 131 17.498 3.860 2.444 734 HB ILE 131 HB ILE 131 16.039 1.445 1.376 735 2HG1 ILE 131 2HG1 ILE 131 17.960 0.201 2.203 736 1HG2 ILE 131 1HG2 ILE 131 17.051 1.773 -0.572 737 2HG2 ILE 131 2HG2 ILE 131 17.941 3.180 0.058 738 3HG2 ILE 131 3HG2 ILE 131 18.607 1.543 0.263 739 1HD1 ILE 131 1HD1 ILE 131 19.909 1.193 2.789 740 2HD1 ILE 131 2HD1 ILE 131 19.228 2.740 2.234 741 3HD1 ILE 131 3HD1 ILE 131 19.068 2.258 3.941 742 H LYS 132 H LYS 132 17.651 5.249 0.692 743 HA LYS 132 HA LYS 132 15.477 5.523 -1.133 744 2HB LYS 132 2HB LYS 132 15.824 8.138 0.094 745 2HG LYS 132 2HG LYS 132 13.180 7.439 0.347 746 2HD LYS 132 2HD LYS 132 13.281 8.071 -2.330 747 2HE LYS 132 2HE LYS 132 13.250 9.600 0.225 748 1HZ LYS 132 1HZ LYS 132 14.774 10.612 -1.760 749 2HZ LYS 132 2HZ LYS 132 13.332 11.340 -2.006 750 3HZ LYS 132 3HZ LYS 132 14.079 11.475 -0.559 751 H GLN 133 H GLN 133 16.406 5.958 -3.059 752 HA GLN 133 HA GLN 133 19.121 6.938 -2.975 753 2HB GLN 133 2HB GLN 133 18.537 6.424 -5.641 754 2HG GLN 133 2HG GLN 133 19.903 5.062 -3.400 755 1HE2 GLN 133 1HE2 GLN 133 21.243 3.187 -5.066 756 2HE2 GLN 133 2HE2 GLN 133 20.216 1.811 -5.296 757 H ARG 134 H ARG 134 19.693 9.004 -3.557 758 HA ARG 134 HA ARG 134 17.525 10.634 -4.581 759 2HB ARG 134 2HB ARG 134 19.850 12.198 -3.834 760 2HG ARG 134 2HG ARG 134 18.083 12.672 -1.843 761 2HD ARG 134 2HD ARG 134 17.030 13.570 -4.486 762 HE ARG 134 HE ARG 134 18.105 15.558 -2.701 763 1HH1 ARG 134 2HH2 ARG 134 15.493 13.212 -2.942 764 2HH1 ARG 134 1HH2 ARG 134 14.433 14.092 -1.893 765 1HH2 ARG 134 2HH1 ARG 134 16.707 16.720 -1.316 766 2HH2 ARG 134 1HH1 ARG 134 15.127 16.101 -0.962 Start of MODEL 4 1 1H SER 24 H SER 24 -7.950 -11.873 -15.912 2 HA SER 24 HA SER 24 -8.732 -9.978 -14.408 3 2HB SER 24 2HB SER 24 -10.247 -11.596 -13.127 4 HG SER 24 HG SER 24 -10.539 -10.857 -15.471 5 H HIS 25 H HIS 25 -6.059 -11.871 -13.530 6 HA HIS 25 HA HIS 25 -4.828 -12.098 -11.723 7 2HB HIS 25 2HB HIS 25 -4.924 -10.015 -10.136 8 HD1 HIS 25 1HD HIS 25 -4.731 -7.908 -12.968 9 HD2 HIS 25 2HD HIS 25 -2.392 -11.105 -11.585 10 HE1 HIS 25 1HE HIS 25 -2.454 -7.669 -14.094 11 H MET 26 H MET 26 -7.039 -10.212 -9.695 12 HA MET 26 HA MET 26 -8.088 -12.704 -8.623 13 2HB MET 26 2HB MET 26 -7.823 -11.303 -6.324 14 2HG MET 26 2HG MET 26 -6.695 -13.530 -7.016 15 1HE MET 26 1HE MET 26 -4.864 -10.128 -8.217 16 2HE MET 26 2HE MET 26 -4.334 -10.594 -6.583 17 3HE MET 26 3HE MET 26 -3.198 -10.695 -7.949 18 H GLN 27 H GLN 27 -9.737 -11.819 -6.632 19 HA GLN 27 HA GLN 27 -11.061 -9.449 -7.127 20 2HB GLN 27 2HB GLN 27 -12.019 -10.090 -9.140 21 2HG GLN 27 2HG GLN 27 -10.942 -12.434 -8.971 22 1HE2 GLN 27 1HE2 GLN 27 -14.368 -12.210 -8.013 23 2HE2 GLN 27 2HE2 GLN 27 -14.409 -13.623 -7.013 24 H LEU 28 H LEU 28 -11.846 -9.039 -5.111 25 HA LEU 28 HA LEU 28 -13.572 -10.883 -3.825 26 2HB LEU 28 2HB LEU 28 -11.757 -12.132 -3.140 27 HG LEU 28 HG LEU 28 -9.716 -11.262 -2.084 28 1HD1 LEU 28 1HD1 LEU 28 -9.845 -9.963 -4.788 29 2HD1 LEU 28 2HD1 LEU 28 -8.543 -10.926 -4.048 30 3HD1 LEU 28 3HD1 LEU 28 -10.023 -11.726 -4.629 31 1HD2 LEU 28 1HD2 LEU 28 -10.456 -9.140 -1.249 32 2HD2 LEU 28 2HD2 LEU 28 -9.117 -8.859 -2.387 33 3HD2 LEU 28 3HD2 LEU 28 -10.795 -8.552 -2.894 34 H LYS 29 H LYS 29 -13.562 -9.922 -1.243 35 HA LYS 29 HA LYS 29 -14.387 -7.188 -1.726 36 2HB LYS 29 2HB LYS 29 -14.823 -9.181 0.496 37 2HG LYS 29 2HG LYS 29 -15.694 -6.254 0.449 38 2HD LYS 29 2HD LYS 29 -16.010 -7.287 3.016 39 2HE LYS 29 2HE LYS 29 -17.968 -6.985 0.699 40 1HZ LYS 29 1HZ LYS 29 -19.533 -7.838 1.966 41 2HZ LYS 29 2HZ LYS 29 -18.401 -8.376 3.014 42 3HZ LYS 29 3HZ LYS 29 -19.116 -6.927 3.254 43 H PHE 30 H PHE 30 -13.701 -5.406 -0.327 44 HA PHE 30 HA PHE 30 -11.027 -5.895 0.785 45 2HB PHE 30 2HB PHE 30 -10.411 -4.383 -0.865 46 HD1 PHE 30 1HD PHE 30 -11.058 -4.710 -3.060 47 HD2 PHE 30 2HD PHE 30 -13.845 -3.018 -0.345 48 HE1 PHE 30 1HE PHE 30 -12.672 -4.341 -4.947 49 HE2 PHE 30 2HE PHE 30 -15.460 -2.648 -2.231 50 HZ PHE 30 HZ PHE 30 -14.853 -3.314 -4.510 51 H ALA 31 H ALA 31 -10.565 -3.440 1.984 52 HA ALA 31 HA ALA 31 -12.333 -3.629 4.237 53 1HB ALA 31 1HB ALA 31 -10.265 -3.205 5.075 54 2HB ALA 31 2HB ALA 31 -9.699 -2.457 3.561 55 3HB ALA 31 3HB ALA 31 -10.658 -1.506 4.721 56 H GLU 32 H GLU 32 -12.515 -1.002 5.150 57 HA GLU 32 HA GLU 32 -14.260 0.114 3.101 58 2HB GLU 32 2HB GLU 32 -15.357 1.288 5.095 59 2HG GLU 32 2HG GLU 32 -15.453 -1.678 5.606 60 H CYS 33 H CYS 33 -11.694 0.815 5.516 61 HA CYS 33 HA CYS 33 -11.627 3.552 5.275 62 2HB CYS 33 2HB CYS 33 -9.206 3.321 5.955 63 HG CYS 33 HG CYS 33 -11.514 3.451 7.497 64 H LEU 34 H LEU 34 -10.886 1.026 2.986 65 HA LEU 34 HA LEU 34 -8.955 2.381 1.452 66 2HB LEU 34 2HB LEU 34 -9.364 0.697 -0.195 67 HG LEU 34 HG LEU 34 -9.975 -0.878 2.281 68 1HD1 LEU 34 1HD1 LEU 34 -7.826 -2.032 1.103 69 2HD1 LEU 34 2HD1 LEU 34 -9.518 -2.423 0.712 70 3HD1 LEU 34 3HD1 LEU 34 -8.610 -1.281 -0.308 71 1HD2 LEU 34 1HD2 LEU 34 -7.271 0.388 1.783 72 2HD2 LEU 34 2HD2 LEU 34 -8.454 0.978 2.974 73 3HD2 LEU 34 3HD2 LEU 34 -7.753 -0.649 3.146 74 H GLU 35 H GLU 35 -12.241 3.056 2.071 75 HA GLU 35 HA GLU 35 -12.633 4.240 -0.534 76 2HB GLU 35 2HB GLU 35 -14.946 4.532 0.127 77 2HG GLU 35 2HG GLU 35 -14.512 1.956 1.557 78 H LYS 36 H LYS 36 -10.608 5.222 1.506 79 HA LYS 36 HA LYS 36 -11.768 7.786 2.251 80 2HB LYS 36 2HB LYS 36 -9.434 8.014 3.350 81 2HG LYS 36 2HG LYS 36 -10.440 5.854 4.888 82 2HD LYS 36 2HD LYS 36 -11.600 8.617 5.190 83 2HE LYS 36 2HE LYS 36 -10.058 6.889 7.171 84 1HZ LYS 36 1HZ LYS 36 -10.461 9.096 7.869 85 2HZ LYS 36 2HZ LYS 36 -12.027 9.055 7.407 86 3HZ LYS 36 3HZ LYS 36 -11.524 8.150 8.670 87 H LYS 37 H LYS 37 -10.331 6.367 -0.435 88 HA LYS 37 HA LYS 37 -9.259 7.126 -2.214 89 2HB LYS 37 2HB LYS 37 -9.846 9.502 -2.895 90 2HG LYS 37 2HG LYS 37 -11.394 7.149 -2.812 91 2HD LYS 37 2HD LYS 37 -12.655 9.212 -1.190 92 2HE LYS 37 2HE LYS 37 -13.842 8.640 -3.905 93 1HZ LYS 37 1HZ LYS 37 -15.872 9.524 -2.366 94 2HZ LYS 37 2HZ LYS 37 -15.715 8.006 -2.948 95 3HZ LYS 37 3HZ LYS 37 -15.205 8.358 -1.438 96 H VAL 38 H VAL 38 -7.647 8.954 -3.059 97 HA VAL 38 HA VAL 38 -6.091 10.113 -0.931 98 HB VAL 38 HB VAL 38 -4.069 8.937 -1.392 99 1HG1 VAL 38 1HG1 VAL 38 -5.631 7.907 0.227 100 2HG1 VAL 38 2HG1 VAL 38 -6.307 6.907 -1.081 101 3HG1 VAL 38 3HG1 VAL 38 -4.609 6.699 -0.590 102 1HG2 VAL 38 1HG2 VAL 38 -4.631 6.752 -2.990 103 2HG2 VAL 38 2HG2 VAL 38 -5.499 8.077 -3.803 104 3HG2 VAL 38 3HG2 VAL 38 -3.751 8.216 -3.493 105 H ASP 39 H ASP 39 -3.725 10.465 -2.604 106 HA ASP 39 HA ASP 39 -4.437 11.398 -5.119 107 2HB ASP 39 2HB ASP 39 -3.807 13.729 -3.308 108 H MET 40 H MET 40 -2.418 10.512 -5.775 109 HA MET 40 HA MET 40 -0.096 10.762 -4.272 110 2HB MET 40 2HB MET 40 0.999 9.925 -6.376 111 2HG MET 40 2HG MET 40 -0.683 7.996 -6.860 112 1HE MET 40 1HE MET 40 0.276 9.280 -2.769 113 2HE MET 40 2HE MET 40 -1.320 9.218 -3.555 114 3HE MET 40 3HE MET 40 -0.773 7.860 -2.542 115 H SER 41 H SER 41 -1.713 12.942 -6.502 116 HA SER 41 HA SER 41 0.586 14.389 -7.230 117 2HB SER 41 2HB SER 41 -1.925 15.920 -7.269 118 HG SER 41 HG SER 41 -1.268 16.316 -9.311 119 H LYS 42 H LYS 42 -0.984 14.012 -4.268 120 HA LYS 42 HA LYS 42 -0.140 16.689 -3.400 121 2HB LYS 42 2HB LYS 42 -1.935 16.813 -1.918 122 2HG LYS 42 2HG LYS 42 -3.980 16.079 -3.261 123 2HD LYS 42 2HD LYS 42 -2.289 17.311 -5.347 124 2HE LYS 42 2HE LYS 42 -4.633 18.282 -3.642 125 1HZ LYS 42 1HZ LYS 42 -3.330 19.436 -6.008 126 2HZ LYS 42 2HZ LYS 42 -4.782 19.922 -5.439 127 3HZ LYS 42 3HZ LYS 42 -3.441 20.113 -4.525 128 H VAL 43 H VAL 43 -0.269 13.166 -2.738 129 HA VAL 43 HA VAL 43 1.729 13.608 -0.631 130 HB VAL 43 HB VAL 43 0.199 12.466 0.531 131 1HG1 VAL 43 1HG1 VAL 43 -0.873 11.193 -2.009 132 2HG1 VAL 43 2HG1 VAL 43 -1.620 11.137 -0.394 133 3HG1 VAL 43 3HG1 VAL 43 -1.493 12.685 -1.263 134 1HG2 VAL 43 1HG2 VAL 43 0.446 9.990 0.394 135 2HG2 VAL 43 2HG2 VAL 43 1.356 10.196 -1.121 136 3HG2 VAL 43 3HG2 VAL 43 2.002 10.854 0.401 137 H ASN 44 H ASN 44 3.585 12.167 -0.574 138 HA ASN 44 HA ASN 44 4.379 11.501 -3.249 139 2HB ASN 44 2HB ASN 44 6.437 10.729 -1.469 140 1HD2 ASN 44 1HD2 ASN 44 8.074 12.674 -1.261 141 2HD2 ASN 44 2HD2 ASN 44 8.291 13.603 -2.706 142 H LEU 45 H LEU 45 4.433 9.367 -4.021 143 HA LEU 45 HA LEU 45 3.598 7.295 -2.167 144 2HB LEU 45 2HB LEU 45 2.840 7.891 -4.696 145 HG LEU 45 HG LEU 45 3.503 6.165 -6.210 146 1HD1 LEU 45 1HD1 LEU 45 5.219 8.243 -5.388 147 2HD1 LEU 45 2HD1 LEU 45 6.254 6.825 -5.681 148 3HD1 LEU 45 3HD1 LEU 45 5.171 7.417 -6.964 149 1HD2 LEU 45 1HD2 LEU 45 5.806 5.035 -4.908 150 2HD2 LEU 45 2HD2 LEU 45 4.361 4.805 -3.894 151 3HD2 LEU 45 3HD2 LEU 45 4.369 4.224 -5.576 152 H GLU 46 H GLU 46 6.439 8.497 -3.875 153 HA GLU 46 HA GLU 46 7.911 6.177 -3.950 154 2HB GLU 46 2HB GLU 46 9.681 8.359 -3.389 155 2HG GLU 46 2HG GLU 46 9.461 8.233 -6.147 156 H VAL 47 H VAL 47 7.315 8.519 -1.301 157 HA VAL 47 HA VAL 47 9.286 7.459 0.428 158 HB VAL 47 HB VAL 47 8.046 8.758 2.140 159 1HG1 VAL 47 1HG1 VAL 47 9.312 10.458 1.452 160 2HG1 VAL 47 2HG1 VAL 47 9.442 9.699 -0.153 161 3HG1 VAL 47 3HG1 VAL 47 8.128 10.851 0.182 162 1HG2 VAL 47 1HG2 VAL 47 5.889 9.250 1.879 163 2HG2 VAL 47 2HG2 VAL 47 6.286 10.244 0.455 164 3HG2 VAL 47 3HG2 VAL 47 5.907 8.517 0.257 165 H ILE 48 H ILE 48 6.464 6.107 -0.834 166 HA ILE 48 HA ILE 48 6.103 4.459 1.571 167 HB ILE 48 HB ILE 48 4.040 4.415 -0.536 168 2HG1 ILE 48 2HG1 ILE 48 3.076 6.524 -0.088 169 1HG2 ILE 48 1HG2 ILE 48 4.023 3.226 1.719 170 2HG2 ILE 48 2HG2 ILE 48 3.732 4.828 2.438 171 3HG2 ILE 48 3HG2 ILE 48 2.567 4.149 1.276 172 1HD1 ILE 48 1HD1 ILE 48 5.182 6.733 2.105 173 2HD1 ILE 48 2HD1 ILE 48 4.286 8.145 1.494 174 3HD1 ILE 48 3HD1 ILE 48 3.411 6.808 2.278 175 H LYS 49 H LYS 49 7.592 4.594 -1.442 176 HA LYS 49 HA LYS 49 6.969 2.124 -2.557 177 2HB LYS 49 2HB LYS 49 9.736 2.911 -2.977 178 2HG LYS 49 2HG LYS 49 8.576 1.687 -4.686 179 2HD LYS 49 2HD LYS 49 6.504 3.317 -5.640 180 2HE LYS 49 2HE LYS 49 6.627 0.796 -3.964 181 1HZ LYS 49 1HZ LYS 49 4.580 1.304 -3.293 182 2HZ LYS 49 2HZ LYS 49 4.352 2.479 -4.404 183 3HZ LYS 49 3HZ LYS 49 4.121 0.915 -4.812 184 HA PRO 50 HA PRO 50 10.454 0.464 0.182 185 2HB PRO 50 2HB PRO 50 12.166 1.912 0.706 186 2HG PRO 50 2HG PRO 50 11.629 4.147 0.520 187 2HD PRO 50 2HD PRO 50 9.900 4.026 -0.990 188 H TRP 51 H TRP 51 7.950 2.357 1.613 189 HA TRP 51 HA TRP 51 7.762 0.734 3.947 190 2HB TRP 51 2HB TRP 51 5.770 2.656 2.732 191 HD1 TRP 51 HD TRP 51 6.521 2.831 6.419 192 HE1 TRP 51 1HE TRP 51 4.510 1.985 7.903 193 HE3 TRP 51 3HE TRP 51 3.873 0.785 2.591 194 HZ2 TRP 51 2HZ TRP 51 2.092 0.585 7.322 195 HZ3 TRP 51 3HZ TRP 51 1.697 -0.304 3.135 196 HH2 TRP 51 HH TRP 51 0.799 -0.422 5.406 197 H ILE 52 H ILE 52 6.103 0.966 0.740 198 HA ILE 52 HA ILE 52 4.282 -1.126 1.322 199 HB ILE 52 HB ILE 52 5.016 0.568 -0.988 200 2HG1 ILE 52 2HG1 ILE 52 2.946 0.438 0.867 201 1HG2 ILE 52 1HG2 ILE 52 5.174 -1.388 -2.233 202 2HG2 ILE 52 2HG2 ILE 52 3.918 -2.217 -1.283 203 3HG2 ILE 52 3HG2 ILE 52 3.465 -0.926 -2.422 204 1HD1 ILE 52 1HD1 ILE 52 3.223 2.547 -0.020 205 2HD1 ILE 52 2HD1 ILE 52 3.583 1.927 -1.649 206 3HD1 ILE 52 3HD1 ILE 52 1.898 2.016 -1.084 207 H THR 53 H THR 53 7.340 -0.913 -0.619 208 HA THR 53 HA THR 53 7.396 -3.604 -1.354 209 HB THR 53 HB THR 53 9.689 -1.628 -0.870 210 HG1 THR 53 1HG THR 53 9.157 -1.119 -3.113 211 1HG2 THR 53 1HG2 THR 53 10.054 -4.235 -1.476 212 2HG2 THR 53 2HG2 THR 53 9.585 -3.664 -3.096 213 3HG2 THR 53 3HG2 THR 53 11.001 -2.960 -2.280 214 H LYS 54 H LYS 54 8.546 -1.942 1.611 215 HA LYS 54 HA LYS 54 9.809 -4.293 2.604 216 2HB LYS 54 2HB LYS 54 9.013 -1.716 3.991 217 2HG LYS 54 2HG LYS 54 11.316 -3.382 4.903 218 2HD LYS 54 2HD LYS 54 9.821 -1.207 5.870 219 2HE LYS 54 2HE LYS 54 9.419 -3.014 8.111 220 1HZ LYS 54 1HZ LYS 54 7.562 -1.410 6.493 221 2HZ LYS 54 2HZ LYS 54 7.231 -2.042 7.962 222 3HZ LYS 54 3HZ LYS 54 8.372 -0.884 7.809 223 H ARG 55 H ARG 55 6.572 -2.805 2.789 224 HA ARG 55 HA ARG 55 5.725 -4.417 4.918 225 2HB ARG 55 2HB ARG 55 3.392 -3.713 3.611 226 2HG ARG 55 2HG ARG 55 3.528 -1.562 4.975 227 2HD ARG 55 2HD ARG 55 4.242 -4.243 6.239 228 HE ARG 55 HE ARG 55 4.291 -1.686 7.544 229 1HH1 ARG 55 2HH2 ARG 55 2.982 -4.926 7.958 230 2HH1 ARG 55 1HH2 ARG 55 2.942 -4.827 9.686 231 1HH2 ARG 55 2HH1 ARG 55 4.238 -1.554 9.825 232 2HH2 ARG 55 1HH1 ARG 55 3.660 -2.896 10.755 233 H VAL 56 H VAL 56 5.254 -4.518 1.318 234 HA VAL 56 HA VAL 56 3.695 -6.841 1.305 235 HB VAL 56 HB VAL 56 4.366 -6.926 -1.092 236 1HG1 VAL 56 1HG1 VAL 56 3.681 -4.209 -1.215 237 2HG1 VAL 56 2HG1 VAL 56 2.571 -5.601 -1.220 238 3HG1 VAL 56 3HG1 VAL 56 2.979 -4.796 0.314 239 1HG2 VAL 56 1HG2 VAL 56 6.424 -5.050 -0.112 240 2HG2 VAL 56 2HG2 VAL 56 6.426 -6.122 -1.533 241 3HG2 VAL 56 3HG2 VAL 56 5.608 -4.543 -1.611 242 H THR 57 H THR 57 7.245 -6.262 1.197 243 HA THR 57 HA THR 57 7.896 -8.986 0.717 244 HB THR 57 HB THR 57 9.499 -6.634 1.857 245 HG1 THR 57 1HG THR 57 8.465 -6.467 -0.329 246 1HG2 THR 57 1HG2 THR 57 11.141 -8.282 0.283 247 2HG2 THR 57 2HG2 THR 57 11.167 -8.200 2.062 248 3HG2 THR 57 3HG2 THR 57 10.194 -9.445 1.242 249 H GLU 58 H GLU 58 7.442 -6.990 3.664 250 HA GLU 58 HA GLU 58 8.396 -9.043 5.349 251 2HB GLU 58 2HB GLU 58 7.045 -7.510 7.078 252 2HG GLU 58 2HG GLU 58 9.265 -5.969 5.824 253 H ILE 59 H ILE 59 5.292 -8.197 3.874 254 HA ILE 59 HA ILE 59 3.570 -9.478 5.625 255 HB ILE 59 HB ILE 59 3.514 -8.749 2.729 256 2HG1 ILE 59 2HG1 ILE 59 3.080 -7.241 4.855 257 1HG2 ILE 59 1HG2 ILE 59 2.363 -10.834 2.652 258 2HG2 ILE 59 2HG2 ILE 59 1.462 -10.467 4.142 259 3HG2 ILE 59 3HG2 ILE 59 1.133 -9.548 2.654 260 1HD1 ILE 59 1HD1 ILE 59 2.660 -5.954 3.024 261 2HD1 ILE 59 2HD1 ILE 59 1.962 -7.320 2.123 262 3HD1 ILE 59 3HD1 ILE 59 0.953 -6.399 3.265 263 H LEU 60 H LEU 60 5.417 -10.749 2.786 264 HA LEU 60 HA LEU 60 4.574 -13.435 3.572 265 2HB LEU 60 2HB LEU 60 4.390 -13.794 1.413 266 HG LEU 60 HG LEU 60 4.254 -11.148 1.302 267 1HD1 LEU 60 1HD1 LEU 60 6.832 -11.755 -0.172 268 2HD1 LEU 60 2HD1 LEU 60 5.907 -10.240 -0.306 269 3HD1 LEU 60 3HD1 LEU 60 6.627 -10.709 1.253 270 1HD2 LEU 60 1HD2 LEU 60 4.499 -11.756 -1.408 271 2HD2 LEU 60 2HD2 LEU 60 4.060 -13.299 -0.638 272 3HD2 LEU 60 3HD2 LEU 60 3.030 -11.866 -0.409 273 H GLY 61 H GLY 61 7.484 -11.405 2.886 274 1HA GLY 61 1HA GLY 61 9.231 -11.715 4.633 275 2HA GLY 61 2HA GLY 61 9.089 -13.434 4.323 276 H PHE 62 H PHE 62 8.476 -12.296 1.329 277 HA PHE 62 HA PHE 62 11.312 -11.961 0.656 278 2HB PHE 62 2HB PHE 62 10.782 -14.211 -0.010 279 HD1 PHE 62 1HD PHE 62 9.019 -15.384 1.044 280 HD2 PHE 62 2HD PHE 62 8.149 -12.675 -2.104 281 HE1 PHE 62 1HE PHE 62 6.667 -16.255 0.946 282 HE2 PHE 62 2HE PHE 62 5.797 -13.546 -2.204 283 HZ PHE 62 HZ PHE 62 5.084 -15.326 -0.678 284 H GLU 63 H GLU 63 11.722 -10.759 -1.339 285 HA GLU 63 HA GLU 63 9.950 -8.605 -1.592 286 2HB GLU 63 2HB GLU 63 12.097 -9.250 -3.628 287 2HG GLU 63 2HG GLU 63 10.995 -6.737 -2.303 288 H ASP 64 H ASP 64 7.975 -8.754 -2.570 289 HA ASP 64 HA ASP 64 7.390 -10.792 -4.379 290 2HB ASP 64 2HB ASP 64 5.220 -9.913 -4.368 291 H ASP 65 H ASP 65 5.759 -8.935 -6.209 292 HA ASP 65 HA ASP 65 7.562 -7.233 -7.502 293 2HB ASP 65 2HB ASP 65 6.920 -9.261 -9.512 294 H VAL 66 H VAL 66 4.899 -9.632 -8.199 295 HA VAL 66 HA VAL 66 3.514 -7.940 -9.960 296 HB VAL 66 HB VAL 66 3.445 -10.559 -9.308 297 1HG1 VAL 66 1HG1 VAL 66 1.005 -9.316 -7.998 298 2HG1 VAL 66 2HG1 VAL 66 1.191 -11.048 -8.366 299 3HG1 VAL 66 3HG1 VAL 66 2.286 -10.262 -7.203 300 1HG2 VAL 66 1HG2 VAL 66 2.419 -9.025 -11.265 301 2HG2 VAL 66 2HG2 VAL 66 2.018 -10.748 -11.071 302 3HG2 VAL 66 3HG2 VAL 66 0.908 -9.501 -10.454 303 H VAL 67 H VAL 67 3.368 -8.497 -6.413 304 HA VAL 67 HA VAL 67 1.051 -6.885 -6.072 305 HB VAL 67 HB VAL 67 1.176 -7.514 -3.909 306 1HG1 VAL 67 1HG1 VAL 67 1.862 -9.740 -3.731 307 2HG1 VAL 67 2HG1 VAL 67 1.640 -9.525 -5.484 308 3HG1 VAL 67 3HG1 VAL 67 3.276 -9.495 -4.783 309 1HG2 VAL 67 1HG2 VAL 67 3.027 -6.172 -3.220 310 2HG2 VAL 67 2HG2 VAL 67 3.348 -7.828 -2.653 311 3HG2 VAL 67 3HG2 VAL 67 4.185 -7.203 -4.094 312 H ILE 68 H ILE 68 4.615 -6.396 -5.791 313 HA ILE 68 HA ILE 68 4.460 -3.793 -4.780 314 HB ILE 68 HB ILE 68 6.615 -5.145 -6.408 315 2HG1 ILE 68 2HG1 ILE 68 5.847 -6.268 -4.254 316 1HG2 ILE 68 1HG2 ILE 68 6.961 -2.767 -6.464 317 2HG2 ILE 68 2HG2 ILE 68 6.685 -2.638 -4.710 318 3HG2 ILE 68 3HG2 ILE 68 8.123 -3.488 -5.325 319 1HD1 ILE 68 1HD1 ILE 68 8.057 -6.890 -3.698 320 2HD1 ILE 68 2HD1 ILE 68 8.216 -6.334 -5.381 321 3HD1 ILE 68 3HD1 ILE 68 8.700 -5.266 -4.041 322 H GLU 69 H GLU 69 4.770 -5.061 -8.161 323 HA GLU 69 HA GLU 69 4.908 -2.608 -9.379 324 2HB GLU 69 2HB GLU 69 3.506 -4.249 -11.176 325 2HG GLU 69 2HG GLU 69 6.433 -4.743 -10.941 326 H PHE 70 H PHE 70 2.060 -4.564 -8.360 327 HA PHE 70 HA PHE 70 0.098 -3.076 -9.611 328 2HB PHE 70 2HB PHE 70 -1.063 -3.917 -7.259 329 HD1 PHE 70 1HD PHE 70 -0.099 -7.040 -7.635 330 HD2 PHE 70 2HD PHE 70 -1.747 -3.990 -10.084 331 HE1 PHE 70 1HE PHE 70 -1.088 -8.785 -9.144 332 HE2 PHE 70 2HE PHE 70 -2.736 -5.736 -11.593 333 HZ PHE 70 HZ PHE 70 -2.394 -8.112 -11.104 334 H ILE 71 H ILE 71 1.617 -2.666 -6.348 335 HA ILE 71 HA ILE 71 -0.018 -0.436 -5.703 336 HB ILE 71 HB ILE 71 2.546 -1.485 -4.503 337 2HG1 ILE 71 2HG1 ILE 71 -0.076 -2.539 -4.495 338 1HG2 ILE 71 1HG2 ILE 71 1.519 -0.160 -2.472 339 2HG2 ILE 71 2HG2 ILE 71 2.546 0.652 -3.678 340 3HG2 ILE 71 3HG2 ILE 71 0.775 0.810 -3.765 341 1HD1 ILE 71 1HD1 ILE 71 2.513 -3.344 -3.892 342 2HD1 ILE 71 2HD1 ILE 71 1.718 -3.382 -2.300 343 3HD1 ILE 71 3HD1 ILE 71 1.052 -4.331 -3.651 344 H PHE 72 H PHE 72 3.312 -0.897 -7.010 345 HA PHE 72 HA PHE 72 3.997 1.810 -6.972 346 2HB PHE 72 2HB PHE 72 4.955 -0.005 -9.182 347 HD1 PHE 72 1HD PHE 72 5.365 2.954 -8.259 348 HD2 PHE 72 2HD PHE 72 7.557 -0.629 -7.655 349 HE1 PHE 72 1HE PHE 72 7.473 4.289 -7.989 350 HE2 PHE 72 2HE PHE 72 9.666 0.706 -7.384 351 HZ PHE 72 HZ PHE 72 9.598 3.149 -7.555 352 H ASN 73 H ASN 73 2.597 -0.289 -9.578 353 HA ASN 73 HA ASN 73 2.584 1.708 -11.495 354 2HB ASN 73 2HB ASN 73 0.585 0.170 -12.401 355 1HD2 ASN 73 1HD2 ASN 73 3.443 -1.332 -10.917 356 2HD2 ASN 73 2HD2 ASN 73 4.319 -1.640 -12.379 357 H GLN 74 H GLN 74 0.225 0.622 -8.990 358 HA GLN 74 HA GLN 74 -1.859 2.265 -9.923 359 2HB GLN 74 2HB GLN 74 -2.696 1.776 -7.456 360 2HG GLN 74 2HG GLN 74 -3.799 0.575 -9.161 361 1HE2 GLN 74 1HE2 GLN 74 -2.134 -2.224 -9.302 362 2HE2 GLN 74 2HE2 GLN 74 -1.333 -2.080 -10.831 363 H LEU 75 H LEU 75 0.772 2.597 -7.503 364 HA LEU 75 HA LEU 75 -0.242 5.102 -6.543 365 2HB LEU 75 2HB LEU 75 2.037 5.111 -5.391 366 HG LEU 75 HG LEU 75 0.530 2.581 -4.760 367 1HD1 LEU 75 1HD1 LEU 75 1.085 3.245 -2.431 368 2HD1 LEU 75 2HD1 LEU 75 2.513 2.954 -3.453 369 3HD1 LEU 75 3HD1 LEU 75 2.010 4.620 -3.081 370 1HD2 LEU 75 1HD2 LEU 75 -0.809 4.285 -3.224 371 2HD2 LEU 75 2HD2 LEU 75 -0.457 5.388 -4.576 372 3HD2 LEU 75 3HD2 LEU 75 -1.343 3.873 -4.871 373 H GLU 76 H GLU 76 1.124 4.148 -9.436 374 HA GLU 76 HA GLU 76 2.879 6.397 -9.698 375 2HB GLU 76 2HB GLU 76 2.738 5.402 -12.217 376 2HG GLU 76 2HG GLU 76 4.276 3.474 -10.752 377 H VAL 77 H VAL 77 -0.442 5.994 -9.718 378 HA VAL 77 HA VAL 77 -0.842 7.962 -11.852 379 HB VAL 77 HB VAL 77 -3.069 7.220 -11.971 380 1HG1 VAL 77 1HG1 VAL 77 -1.326 5.685 -12.923 381 2HG1 VAL 77 2HG1 VAL 77 -1.456 4.705 -11.442 382 3HG1 VAL 77 3HG1 VAL 77 -2.864 4.886 -12.516 383 1HG2 VAL 77 1HG2 VAL 77 -2.858 6.786 -9.222 384 2HG2 VAL 77 2HG2 VAL 77 -4.282 6.477 -10.245 385 3HG2 VAL 77 3HG2 VAL 77 -3.127 5.164 -9.907 386 H LYS 78 H LYS 78 -3.217 9.135 -11.008 387 HA LYS 78 HA LYS 78 -2.252 10.607 -8.673 388 2HB LYS 78 2HB LYS 78 -3.767 12.392 -9.455 389 2HG LYS 78 2HG LYS 78 -1.314 11.812 -10.431 390 2HD LYS 78 2HD LYS 78 -2.879 12.063 -13.003 391 2HE LYS 78 2HE LYS 78 -0.370 10.444 -12.654 392 1HZ LYS 78 1HZ LYS 78 -0.284 10.840 -14.810 393 2HZ LYS 78 2HZ LYS 78 -1.799 11.441 -14.719 394 3HZ LYS 78 3HZ LYS 78 -0.516 12.448 -14.644 395 H ASN 79 H ASN 79 -4.609 8.296 -9.758 396 HA ASN 79 HA ASN 79 -5.838 8.491 -7.149 397 2HB ASN 79 2HB ASN 79 -7.903 7.785 -9.047 398 1HD2 ASN 79 1HD2 ASN 79 -6.559 10.799 -7.695 399 2HD2 ASN 79 2HD2 ASN 79 -7.873 11.166 -6.628 400 HA PRO 80 HA PRO 80 -4.897 4.226 -8.278 401 2HB PRO 80 2HB PRO 80 -3.027 4.041 -6.946 402 2HG PRO 80 2HG PRO 80 -2.736 5.771 -5.449 403 2HD PRO 80 2HD PRO 80 -3.915 7.434 -6.514 404 H ASP 81 H ASP 81 -5.882 2.155 -7.945 405 HA ASP 81 HA ASP 81 -8.508 2.614 -6.824 406 2HB ASP 81 2HB ASP 81 -7.345 0.415 -8.588 407 H SER 82 H SER 82 -7.747 2.448 -4.542 408 HA SER 82 HA SER 82 -6.182 0.608 -3.448 409 2HB SER 82 2HB SER 82 -7.065 2.233 -1.990 410 HG SER 82 HG SER 82 -9.719 1.281 -2.668 411 H LYS 83 H LYS 83 -9.377 0.089 -4.868 412 HA LYS 83 HA LYS 83 -9.988 -2.335 -3.598 413 2HB LYS 83 2HB LYS 83 -11.638 -2.594 -5.371 414 2HG LYS 83 2HG LYS 83 -12.886 -0.572 -4.988 415 2HD LYS 83 2HD LYS 83 -10.921 -0.797 -2.660 416 2HE LYS 83 2HE LYS 83 -13.604 0.487 -3.076 417 1HZ LYS 83 1HZ LYS 83 -12.893 -1.185 -0.805 418 2HZ LYS 83 2HZ LYS 83 -13.758 0.176 -0.544 419 3HZ LYS 83 3HZ LYS 83 -14.344 -0.989 -1.528 420 H MET 84 H MET 84 -8.320 -1.556 -6.716 421 HA MET 84 HA MET 84 -7.918 -4.232 -7.386 422 2HB MET 84 2HB MET 84 -5.823 -2.644 -8.523 423 2HG MET 84 2HG MET 84 -7.689 -2.459 -10.432 424 1HE MET 84 1HE MET 84 -6.793 -6.833 -9.617 425 2HE MET 84 2HE MET 84 -6.631 -5.745 -8.218 426 3HE MET 84 3HE MET 84 -8.177 -5.843 -9.095 427 H MET 85 H MET 85 -6.038 -1.865 -5.463 428 HA MET 85 HA MET 85 -3.661 -3.281 -5.409 429 2HB MET 85 2HB MET 85 -4.332 -1.842 -2.903 430 2HG MET 85 2HG MET 85 -2.370 -1.386 -5.199 431 1HE MET 85 1HE MET 85 -3.209 2.255 -4.452 432 2HE MET 85 2HE MET 85 -2.127 1.394 -5.572 433 3HE MET 85 3HE MET 85 -3.778 0.792 -5.289 434 H GLN 86 H GLN 86 -6.410 -3.213 -3.029 435 HA GLN 86 HA GLN 86 -5.244 -5.129 -1.369 436 2HB GLN 86 2HB GLN 86 -8.189 -5.041 -1.300 437 2HG GLN 86 2HG GLN 86 -6.635 -3.691 0.822 438 1HE2 GLN 86 1HE2 GLN 86 -7.863 -6.971 0.177 439 2HE2 GLN 86 2HE2 GLN 86 -9.153 -6.956 1.333 440 H ILE 87 H ILE 87 -7.334 -5.295 -4.254 441 HA ILE 87 HA ILE 87 -8.072 -8.004 -3.902 442 HB ILE 87 HB ILE 87 -8.253 -5.951 -6.049 443 2HG1 ILE 87 2HG1 ILE 87 -9.915 -6.577 -4.068 444 1HG2 ILE 87 1HG2 ILE 87 -9.428 -7.965 -7.352 445 2HG2 ILE 87 2HG2 ILE 87 -7.718 -7.531 -7.588 446 3HG2 ILE 87 3HG2 ILE 87 -8.153 -8.888 -6.520 447 1HD1 ILE 87 1HD1 ILE 87 -10.298 -5.593 -6.855 448 2HD1 ILE 87 2HD1 ILE 87 -11.780 -6.129 -6.027 449 3HD1 ILE 87 3HD1 ILE 87 -10.774 -4.848 -5.308 450 H ASN 88 H ASN 88 -5.378 -6.284 -5.539 451 HA ASN 88 HA ASN 88 -4.408 -8.614 -6.772 452 2HB ASN 88 2HB ASN 88 -2.219 -7.061 -6.793 453 1HD2 ASN 88 1HD2 ASN 88 -3.640 -4.556 -7.909 454 2HD2 ASN 88 2HD2 ASN 88 -4.185 -5.033 -9.482 455 H LEU 89 H LEU 89 -3.694 -6.753 -3.752 456 HA LEU 89 HA LEU 89 -1.426 -8.154 -2.968 457 2HB LEU 89 2HB LEU 89 -2.240 -7.378 -0.637 458 HG LEU 89 HG LEU 89 -2.043 -5.096 -2.590 459 1HD1 LEU 89 1HD1 LEU 89 -1.744 -3.880 -0.761 460 2HD1 LEU 89 2HD1 LEU 89 -2.024 -5.333 0.228 461 3HD1 LEU 89 3HD1 LEU 89 -0.370 -4.899 -0.267 462 1HD2 LEU 89 1HD2 LEU 89 0.542 -5.480 -2.109 463 2HD2 LEU 89 2HD2 LEU 89 0.013 -7.177 -2.016 464 3HD2 LEU 89 3HD2 LEU 89 -0.288 -6.230 -3.494 465 H THR 90 H THR 90 -4.935 -8.769 -2.383 466 HA THR 90 HA THR 90 -4.582 -10.943 -0.660 467 HB THR 90 HB THR 90 -6.841 -10.387 -2.653 468 HG1 THR 90 1HG THR 90 -7.537 -8.978 -0.929 469 1HG2 THR 90 1HG2 THR 90 -7.676 -11.166 -0.005 470 2HG2 THR 90 2HG2 THR 90 -7.947 -12.040 -1.532 471 3HG2 THR 90 3HG2 THR 90 -6.486 -12.363 -0.568 472 H GLY 91 H GLY 91 -4.020 -10.621 -4.091 473 1HA GLY 91 1HA GLY 91 -4.401 -13.354 -4.786 474 2HA GLY 91 2HA GLY 91 -3.541 -12.130 -5.698 475 H PHE 92 H PHE 92 -1.812 -11.494 -3.227 476 HA PHE 92 HA PHE 92 -0.061 -13.834 -3.506 477 2HB PHE 92 2HB PHE 92 1.326 -11.525 -2.513 478 HD1 PHE 92 1HD PHE 92 3.454 -11.720 -3.356 479 HD2 PHE 92 2HD PHE 92 0.189 -12.781 -5.848 480 HE1 PHE 92 1HE PHE 92 5.056 -12.408 -5.162 481 HE2 PHE 92 2HE PHE 92 1.790 -13.470 -7.654 482 HZ PHE 92 HZ PHE 92 4.205 -13.275 -7.290 483 H LEU 93 H LEU 93 -1.254 -11.253 -1.271 484 HA LEU 93 HA LEU 93 0.070 -12.288 0.990 485 2HB LEU 93 2HB LEU 93 -1.259 -10.741 2.235 486 HG LEU 93 HG LEU 93 -1.065 -9.213 -0.330 487 1HD1 LEU 93 1HD1 LEU 93 -1.630 -7.799 1.393 488 2HD1 LEU 93 2HD1 LEU 93 -0.670 -8.693 2.596 489 3HD1 LEU 93 3HD1 LEU 93 0.144 -7.658 1.399 490 1HD2 LEU 93 1HD2 LEU 93 1.197 -10.645 0.993 491 2HD2 LEU 93 2HD2 LEU 93 0.918 -10.271 -0.725 492 3HD2 LEU 93 3HD2 LEU 93 1.480 -8.996 0.384 493 H ASN 94 H ASN 94 -1.950 -12.501 2.956 494 HA ASN 94 HA ASN 94 -2.909 -15.124 2.247 495 2HB ASN 94 2HB ASN 94 -3.584 -15.079 4.778 496 1HD2 ASN 94 1HD2 ASN 94 -0.533 -13.527 4.882 497 2HD2 ASN 94 2HD2 ASN 94 0.491 -14.924 4.879 498 H GLY 95 H GLY 95 -3.958 -11.909 2.111 499 1HA GLY 95 1HA GLY 95 -6.125 -11.433 1.264 500 2HA GLY 95 2HA GLY 95 -6.787 -12.731 2.235 501 H LYS 96 H LYS 96 -5.903 -12.384 4.773 502 HA LYS 96 HA LYS 96 -7.346 -10.088 5.598 503 2HB LYS 96 2HB LYS 96 -5.833 -11.199 7.746 504 2HG LYS 96 2HG LYS 96 -8.145 -12.124 8.326 505 2HD LYS 96 2HD LYS 96 -8.987 -9.445 7.715 506 2HE LYS 96 2HE LYS 96 -8.286 -11.113 10.044 507 1HZ LYS 96 1HZ LYS 96 -6.931 -8.786 9.919 508 2HZ LYS 96 2HZ LYS 96 -8.247 -8.383 10.798 509 3HZ LYS 96 3HZ LYS 96 -7.282 -9.606 11.287 510 H ASN 97 H ASN 97 -3.938 -10.869 4.995 511 HA ASN 97 HA ASN 97 -2.888 -8.758 6.482 512 2HB ASN 97 2HB ASN 97 -1.016 -9.151 4.500 513 1HD2 ASN 97 1HD2 ASN 97 -0.315 -8.530 6.692 514 2HD2 ASN 97 2HD2 ASN 97 0.202 -9.765 7.792 515 H ALA 98 H ALA 98 -4.272 -9.126 3.216 516 HA ALA 98 HA ALA 98 -3.208 -6.803 2.060 517 1HB ALA 98 1HB ALA 98 -5.200 -8.868 1.471 518 2HB ALA 98 2HB ALA 98 -5.693 -7.265 0.873 519 3HB ALA 98 3HB ALA 98 -4.136 -7.966 0.367 520 H ARG 99 H ARG 99 -6.207 -7.477 3.956 521 HA ARG 99 HA ARG 99 -7.252 -4.927 3.618 522 2HB ARG 99 2HB ARG 99 -8.287 -5.787 6.051 523 2HG ARG 99 2HG ARG 99 -8.998 -6.402 3.168 524 2HD ARG 99 2HD ARG 99 -11.181 -7.321 4.026 525 HE ARG 99 HE ARG 99 -8.635 -8.745 4.256 526 1HH1 ARG 99 2HH2 ARG 99 -12.123 -9.025 4.627 527 2HH1 ARG 99 1HH2 ARG 99 -12.134 -10.746 4.423 528 1HH2 ARG 99 2HH1 ARG 99 -8.650 -11.013 3.986 529 2HH2 ARG 99 1HH1 ARG 99 -10.146 -11.883 4.055 530 H GLU 100 H GLU 100 -5.065 -6.416 6.056 531 HA GLU 100 HA GLU 100 -5.130 -4.170 7.762 532 2HB GLU 100 2HB GLU 100 -2.726 -5.781 8.069 533 2HG GLU 100 2HG GLU 100 -4.353 -6.534 10.105 534 H PHE 101 H PHE 101 -3.048 -5.307 5.071 535 HA PHE 101 HA PHE 101 -0.977 -3.465 5.473 536 2HB PHE 101 2HB PHE 101 -2.152 -5.074 3.149 537 HD1 PHE 101 1HD PHE 101 -2.195 -3.181 1.518 538 HD2 PHE 101 2HD PHE 101 1.398 -4.463 3.376 539 HE1 PHE 101 1HE PHE 101 -0.860 -1.995 -0.246 540 HE2 PHE 101 2HE PHE 101 2.733 -3.278 1.611 541 HZ PHE 101 HZ PHE 101 1.588 -2.057 -0.178 542 H MET 102 H MET 102 -3.897 -3.404 3.315 543 HA MET 102 HA MET 102 -3.290 -0.933 2.204 544 2HB MET 102 2HB MET 102 -6.099 -1.180 2.167 545 2HG MET 102 2HG MET 102 -4.944 -2.904 0.141 546 1HE MET 102 1HE MET 102 -4.334 0.781 -0.335 547 2HE MET 102 2HE MET 102 -4.256 -0.201 -1.818 548 3HE MET 102 3HE MET 102 -5.484 1.077 -1.660 549 H GLY 103 H GLY 103 -4.817 -1.882 5.259 550 1HA GLY 103 1HA GLY 103 -5.974 0.717 5.758 551 2HA GLY 103 2HA GLY 103 -5.920 -0.662 6.838 552 H GLU 104 H GLU 104 -2.856 0.066 5.367 553 HA GLU 104 HA GLU 104 -2.117 1.638 7.705 554 2HB GLU 104 2HB GLU 104 0.163 0.339 7.474 555 2HG GLU 104 2HG GLU 104 -1.584 -1.695 8.541 556 H LEU 105 H LEU 105 -1.771 0.840 4.270 557 HA LEU 105 HA LEU 105 0.222 2.948 3.952 558 2HB LEU 105 2HB LEU 105 -0.330 0.445 2.674 559 HG LEU 105 HG LEU 105 0.192 1.145 0.344 560 1HD1 LEU 105 1HD1 LEU 105 -2.275 0.876 1.584 561 2HD1 LEU 105 2HD1 LEU 105 -2.445 2.357 0.610 562 3HD1 LEU 105 3HD1 LEU 105 -1.953 0.833 -0.166 563 1HD2 LEU 105 1HD2 LEU 105 -1.010 3.796 0.556 564 2HD2 LEU 105 2HD2 LEU 105 0.534 3.666 1.431 565 3HD2 LEU 105 3HD2 LEU 105 0.456 3.262 -0.301 566 H TRP 106 H TRP 106 -3.150 2.031 3.154 567 HA TRP 106 HA TRP 106 -3.664 4.109 1.367 568 2HB TRP 106 2HB TRP 106 -5.699 2.940 3.250 569 HD1 TRP 106 HD TRP 106 -7.882 4.207 2.590 570 HE1 TRP 106 1HE TRP 106 -9.076 5.094 0.411 571 HE3 TRP 106 3HE TRP 106 -4.146 2.927 -0.613 572 HZ2 TRP 106 2HZ TRP 106 -8.341 5.160 -2.346 573 HZ3 TRP 106 3HZ TRP 106 -4.464 3.437 -3.031 574 HH2 TRP 106 HH TRP 106 -6.474 4.514 -3.912 575 HA PRO 107 HA PRO 107 -4.776 6.464 5.348 576 2HB PRO 107 2HB PRO 107 -5.446 5.209 7.159 577 2HG PRO 107 2HG PRO 107 -4.795 2.997 7.091 578 2HD PRO 107 2HD PRO 107 -4.535 2.718 4.824 579 H LEU 108 H LEU 108 -1.675 4.985 5.036 580 HA LEU 108 HA LEU 108 -0.183 6.933 6.343 581 2HB LEU 108 2HB LEU 108 1.134 5.810 4.013 582 HG LEU 108 HG LEU 108 1.793 6.300 6.696 583 1HD1 LEU 108 1HD1 LEU 108 2.700 4.090 7.423 584 2HD1 LEU 108 2HD1 LEU 108 0.923 4.194 7.430 585 3HD1 LEU 108 3HD1 LEU 108 1.759 3.328 6.119 586 1HD2 LEU 108 1HD2 LEU 108 3.670 4.651 5.113 587 2HD2 LEU 108 2HD2 LEU 108 3.080 6.132 4.323 588 3HD2 LEU 108 3HD2 LEU 108 3.899 6.232 5.901 589 H LEU 109 H LEU 109 -1.423 6.728 2.965 590 HA LEU 109 HA LEU 109 -0.114 9.121 2.171 591 2HB LEU 109 2HB LEU 109 -1.261 8.855 0.122 592 HG LEU 109 HG LEU 109 -0.455 6.238 1.350 593 1HD1 LEU 109 1HD1 LEU 109 -0.832 5.186 -0.922 594 2HD1 LEU 109 2HD1 LEU 109 -2.288 5.493 0.054 595 3HD1 LEU 109 3HD1 LEU 109 -1.876 6.577 -1.296 596 1HD2 LEU 109 1HD2 LEU 109 1.425 7.377 0.666 597 2HD2 LEU 109 2HD2 LEU 109 1.064 6.397 -0.776 598 3HD2 LEU 109 3HD2 LEU 109 0.607 8.117 -0.731 599 H LEU 110 H LEU 110 -3.226 8.267 3.671 600 HA LEU 110 HA LEU 110 -4.644 10.564 3.126 601 2HB LEU 110 2HB LEU 110 -5.546 9.961 5.570 602 HG LEU 110 HG LEU 110 -7.159 9.523 4.023 603 1HD1 LEU 110 1HD1 LEU 110 -6.086 9.572 1.985 604 2HD1 LEU 110 2HD1 LEU 110 -4.964 8.260 2.415 605 3HD1 LEU 110 3HD1 LEU 110 -6.664 7.889 2.041 606 1HD2 LEU 110 1HD2 LEU 110 -7.978 7.521 4.607 607 2HD2 LEU 110 2HD2 LEU 110 -6.556 6.644 3.992 608 3HD2 LEU 110 3HD2 LEU 110 -6.511 7.393 5.607 609 H SER 111 H SER 111 -2.208 9.896 5.703 610 HA SER 111 HA SER 111 -2.538 12.501 6.781 611 2HB SER 111 2HB SER 111 -0.046 11.314 7.602 612 HG SER 111 HG SER 111 -2.611 11.846 8.728 613 H ALA 112 H ALA 112 -0.418 10.857 4.432 614 HA ALA 112 HA ALA 112 1.617 12.791 4.369 615 1HB ALA 112 1HB ALA 112 0.673 10.927 2.156 616 2HB ALA 112 2HB ALA 112 2.286 11.659 2.327 617 3HB ALA 112 3HB ALA 112 1.735 10.438 3.498 618 H GLN 113 H GLN 113 -1.422 12.331 2.456 619 HA GLN 113 HA GLN 113 -0.972 14.454 0.746 620 2HB GLN 113 2HB GLN 113 -2.661 12.696 0.344 621 2HG GLN 113 2HG GLN 113 -3.970 13.971 2.773 622 1HE2 GLN 113 1HE2 GLN 113 -4.630 11.352 0.455 623 2HE2 GLN 113 2HE2 GLN 113 -6.301 11.715 0.180 624 H GLU 114 H GLU 114 -1.622 14.413 4.125 625 HA GLU 114 HA GLU 114 -2.902 16.996 4.070 626 2HB GLU 114 2HB GLU 114 -2.926 16.657 6.603 627 2HG GLU 114 2HG GLU 114 -4.231 14.195 5.859 628 H ASN 115 H ASN 115 0.238 15.751 3.931 629 HA ASN 115 HA ASN 115 1.399 17.751 5.625 630 2HB ASN 115 2HB ASN 115 3.287 16.383 3.845 631 1HD2 ASN 115 1HD2 ASN 115 1.936 15.253 6.903 632 2HD2 ASN 115 2HD2 ASN 115 3.257 15.710 7.926 633 H ILE 116 H ILE 116 3.773 18.261 3.977 634 HA ILE 116 HA ILE 116 2.544 19.852 1.835 635 HB ILE 116 HB ILE 116 3.677 20.925 3.927 636 2HG1 ILE 116 2HG1 ILE 116 4.028 22.880 2.692 637 1HG2 ILE 116 1HG2 ILE 116 6.070 20.166 2.236 638 2HG2 ILE 116 2HG2 ILE 116 6.089 21.417 3.501 639 3HG2 ILE 116 3HG2 ILE 116 5.747 19.724 3.930 640 1HD1 ILE 116 1HD1 ILE 116 5.618 22.680 1.055 641 2HD1 ILE 116 2HD1 ILE 116 5.161 21.001 0.682 642 3HD1 ILE 116 3HD1 ILE 116 4.221 22.351 0.002 643 H ALA 117 H ALA 117 5.430 17.917 2.836 644 HA ALA 117 HA ALA 117 6.328 17.818 0.090 645 1HB ALA 117 1HB ALA 117 7.906 18.071 1.995 646 2HB ALA 117 2HB ALA 117 7.391 16.483 2.613 647 3HB ALA 117 3HB ALA 117 8.229 16.600 1.046 648 H GLY 118 H GLY 118 3.779 16.455 1.589 649 1HA GLY 118 1HA GLY 118 2.514 14.650 1.140 650 2HA GLY 118 2HA GLY 118 3.538 14.327 -0.244 651 H ILE 119 H ILE 119 4.443 14.493 3.259 652 HA ILE 119 HA ILE 119 5.181 11.655 3.053 653 HB ILE 119 HB ILE 119 6.723 14.019 3.892 654 2HG1 ILE 119 2HG1 ILE 119 7.304 11.293 2.731 655 1HG2 ILE 119 1HG2 ILE 119 8.010 12.845 5.593 656 2HG2 ILE 119 2HG2 ILE 119 6.304 12.987 6.081 657 3HG2 ILE 119 3HG2 ILE 119 6.928 11.437 5.467 658 1HD1 ILE 119 1HD1 ILE 119 6.857 12.602 0.897 659 2HD1 ILE 119 2HD1 ILE 119 7.124 14.118 1.789 660 3HD1 ILE 119 3HD1 ILE 119 8.513 13.189 1.174 661 HA PRO 120 HA PRO 120 2.503 11.245 6.430 662 2HB PRO 120 2HB PRO 120 1.958 9.093 5.815 663 2HG PRO 120 2HG PRO 120 3.471 8.085 4.397 664 2HD PRO 120 2HD PRO 120 4.433 9.940 3.440 665 H SER 121 H SER 121 2.354 11.403 8.668 666 HA SER 121 HA SER 121 4.637 12.399 9.828 667 2HB SER 121 2HB SER 121 2.294 12.824 10.599 668 HG SER 121 HG SER 121 1.171 11.292 11.764 669 H ALA 122 H ALA 122 3.711 9.137 9.159 670 HA ALA 122 HA ALA 122 4.803 7.784 11.332 671 1HB ALA 122 1HB ALA 122 3.861 6.142 10.125 672 2HB ALA 122 2HB ALA 122 3.726 7.219 8.714 673 3HB ALA 122 3HB ALA 122 5.205 6.258 8.964 674 H PHE 123 H PHE 123 6.267 9.392 8.521 675 HA PHE 123 HA PHE 123 8.857 8.245 9.215 676 2HB PHE 123 2HB PHE 123 9.486 9.270 7.017 677 HD1 PHE 123 1HD PHE 123 7.857 6.734 8.186 678 HD2 PHE 123 2HD PHE 123 7.613 9.160 4.714 679 HE1 PHE 123 1HE PHE 123 6.809 4.830 6.930 680 HE2 PHE 123 2HE PHE 123 6.564 7.257 3.457 681 HZ PHE 123 HZ PHE 123 6.175 5.115 4.581 682 H LEU 124 H LEU 124 7.078 11.368 8.958 683 HA LEU 124 HA LEU 124 9.120 13.127 9.330 684 2HB LEU 124 2HB LEU 124 7.444 14.610 10.323 685 HG LEU 124 HG LEU 124 6.241 12.962 8.082 686 1HD1 LEU 124 1HD1 LEU 124 5.212 15.189 9.602 687 2HD1 LEU 124 2HD1 LEU 124 5.423 15.643 7.894 688 3HD1 LEU 124 3HD1 LEU 124 4.434 14.226 8.323 689 1HD2 LEU 124 1HD2 LEU 124 8.076 15.369 8.027 690 2HD2 LEU 124 2HD2 LEU 124 8.383 13.742 7.373 691 3HD2 LEU 124 3HD2 LEU 124 7.150 14.785 6.623 692 H GLU 125 H GLU 125 7.060 11.839 12.038 693 HA GLU 125 HA GLU 125 8.639 12.784 14.038 694 2HB GLU 125 2HB GLU 125 6.885 10.297 13.914 695 2HG GLU 125 2HG GLU 125 8.617 10.245 15.802 696 H LEU 126 H LEU 126 8.560 9.288 13.015 697 HA LEU 126 HA LEU 126 10.963 8.681 14.315 698 2HB LEU 126 2HB LEU 126 10.816 6.678 12.634 699 HG LEU 126 HG LEU 126 9.028 7.281 14.945 700 1HD1 LEU 126 1HD1 LEU 126 7.358 6.291 13.641 701 2HD1 LEU 126 2HD1 LEU 126 8.486 5.123 12.911 702 3HD1 LEU 126 3HD1 LEU 126 8.006 4.949 14.616 703 1HD2 LEU 126 1HD2 LEU 126 11.100 6.412 15.575 704 2HD2 LEU 126 2HD2 LEU 126 10.014 5.003 15.629 705 3HD2 LEU 126 3HD2 LEU 126 11.117 5.224 14.249 706 H LYS 127 H LYS 127 12.654 7.386 12.591 707 HA LYS 127 HA LYS 127 13.647 9.639 11.005 708 2HB LYS 127 2HB LYS 127 15.685 7.758 11.211 709 2HG LYS 127 2HG LYS 127 15.138 10.454 11.946 710 2HD LYS 127 2HD LYS 127 15.705 8.702 14.282 711 2HE LYS 127 2HE LYS 127 17.074 11.370 14.376 712 1HZ LYS 127 1HZ LYS 127 17.879 8.737 15.386 713 2HZ LYS 127 2HZ LYS 127 18.415 10.199 15.880 714 3HZ LYS 127 3HZ LYS 127 16.884 9.735 16.212 715 H LYS 128 H LYS 128 13.684 9.522 8.814 716 HA LYS 128 HA LYS 128 12.387 7.428 7.511 717 2HB LYS 128 2HB LYS 128 14.306 9.366 6.211 718 2HG LYS 128 2HG LYS 128 11.930 9.195 4.770 719 2HD LYS 128 2HD LYS 128 13.930 7.129 4.045 720 2HE LYS 128 2HE LYS 128 12.251 8.250 2.489 721 1HZ LYS 128 1HZ LYS 128 12.980 10.439 1.717 722 2HZ LYS 128 2HZ LYS 128 12.452 10.470 3.262 723 3HZ LYS 128 3HZ LYS 128 14.054 10.524 2.944 724 H GLU 129 H GLU 129 13.059 5.365 7.308 725 HA GLU 129 HA GLU 129 15.736 4.677 7.743 726 2HB GLU 129 2HB GLU 129 13.558 2.984 6.444 727 2HG GLU 129 2HG GLU 129 15.247 1.585 8.303 728 H GLU 130 H GLU 130 17.434 4.287 6.324 729 HA GLU 130 HA GLU 130 18.597 4.325 4.491 730 2HB GLU 130 2HB GLU 130 16.011 3.522 3.087 731 2HG GLU 130 2HG GLU 130 17.876 4.315 1.567 732 H ILE 131 H ILE 131 19.214 5.717 2.697 733 HA ILE 131 HA ILE 131 17.771 8.220 2.774 734 HB ILE 131 HB ILE 131 20.396 7.384 1.547 735 2HG1 ILE 131 2HG1 ILE 131 19.582 8.676 4.122 736 1HG2 ILE 131 1HG2 ILE 131 20.797 9.686 0.992 737 2HG2 ILE 131 2HG2 ILE 131 19.269 9.176 0.237 738 3HG2 ILE 131 3HG2 ILE 131 19.244 10.180 1.707 739 1HD1 ILE 131 1HD1 ILE 131 20.533 6.756 4.853 740 2HD1 ILE 131 2HD1 ILE 131 21.034 6.331 3.199 741 3HD1 ILE 131 3HD1 ILE 131 22.090 7.341 4.216 742 H LYS 132 H LYS 132 16.745 9.212 1.011 743 HA LYS 132 HA LYS 132 15.351 7.626 -0.703 744 2HB LYS 132 2HB LYS 132 14.878 10.002 -0.166 745 2HG LYS 132 2HG LYS 132 17.499 10.429 -1.131 746 2HD LYS 132 2HD LYS 132 15.463 11.775 -2.964 747 2HE LYS 132 2HE LYS 132 18.401 12.031 -2.464 748 1HZ LYS 132 1HZ LYS 132 18.978 11.719 -4.547 749 2HZ LYS 132 2HZ LYS 132 17.469 11.240 -4.949 750 3HZ LYS 132 3HZ LYS 132 17.886 12.815 -5.071 751 H GLN 133 H GLN 133 15.712 6.562 -2.602 752 HA GLN 133 HA GLN 133 18.163 7.232 -4.005 753 2HB GLN 133 2HB GLN 133 18.655 5.275 -2.558 754 2HG GLN 133 2HG GLN 133 16.369 3.998 -4.129 755 1HE2 GLN 133 1HE2 GLN 133 16.879 2.058 -4.777 756 2HE2 GLN 133 2HE2 GLN 133 17.854 0.892 -3.947 757 H ARG 134 H ARG 134 18.174 6.106 -6.270 758 HA ARG 134 HA ARG 134 15.606 5.372 -7.223 759 2HB ARG 134 2HB ARG 134 16.500 7.524 -8.980 760 2HG ARG 134 2HG ARG 134 14.163 8.427 -8.176 761 2HD ARG 134 2HD ARG 134 13.530 5.792 -9.261 762 HE ARG 134 HE ARG 134 13.138 8.579 -9.968 763 1HH1 ARG 134 2HH2 ARG 134 13.129 5.321 -11.297 764 2HH1 ARG 134 1HH2 ARG 134 12.042 5.713 -12.588 765 1HH2 ARG 134 2HH1 ARG 134 11.705 9.097 -11.670 766 2HH2 ARG 134 1HH1 ARG 134 11.227 7.875 -12.801 Start of MODEL 5 1 1H SER 24 H SER 24 -7.440 -5.476 -13.808 2 HA SER 24 HA SER 24 -8.876 -6.135 -12.249 3 2HB SER 24 2HB SER 24 -10.381 -7.986 -13.164 4 HG SER 24 HG SER 24 -10.198 -5.577 -13.964 5 H HIS 25 H HIS 25 -7.443 -9.235 -13.531 6 HA HIS 25 HA HIS 25 -6.885 -11.106 -12.511 7 2HB HIS 25 2HB HIS 25 -5.531 -10.627 -10.285 8 HD1 HIS 25 1HD HIS 25 -5.475 -10.009 -13.979 9 HD2 HIS 25 2HD HIS 25 -2.729 -10.512 -10.847 10 HE1 HIS 25 1HE HIS 25 -3.205 -10.404 -15.074 11 H MET 26 H MET 26 -6.765 -12.087 -9.932 12 HA MET 26 HA MET 26 -9.220 -12.890 -9.388 13 2HB MET 26 2HB MET 26 -7.296 -13.774 -8.179 14 2HG MET 26 2HG MET 26 -6.547 -12.025 -6.194 15 1HE MET 26 1HE MET 26 -5.116 -9.949 -7.982 16 2HE MET 26 2HE MET 26 -3.594 -10.616 -7.343 17 3HE MET 26 3HE MET 26 -3.875 -10.564 -9.100 18 H GLN 27 H GLN 27 -10.784 -12.390 -7.566 19 HA GLN 27 HA GLN 27 -10.778 -9.570 -6.888 20 2HB GLN 27 2HB GLN 27 -13.399 -9.777 -7.320 21 2HG GLN 27 2HG GLN 27 -11.117 -9.120 -9.136 22 1HE2 GLN 27 1HE2 GLN 27 -11.754 -11.043 -10.521 23 2HE2 GLN 27 2HE2 GLN 27 -12.886 -10.757 -11.800 24 H LEU 28 H LEU 28 -11.982 -9.065 -4.927 25 HA LEU 28 HA LEU 28 -13.368 -11.088 -3.521 26 2HB LEU 28 2HB LEU 28 -11.425 -12.158 -2.957 27 HG LEU 28 HG LEU 28 -9.361 -11.054 -2.112 28 1HD1 LEU 28 1HD1 LEU 28 -8.391 -10.900 -4.190 29 2HD1 LEU 28 2HD1 LEU 28 -9.879 -11.799 -4.573 30 3HD1 LEU 28 3HD1 LEU 28 -9.783 -10.052 -4.905 31 1HD2 LEU 28 1HD2 LEU 28 -10.632 -8.852 -1.649 32 2HD2 LEU 28 2HD2 LEU 28 -8.957 -8.767 -2.246 33 3HD2 LEU 28 3HD2 LEU 28 -10.315 -8.487 -3.362 34 H LYS 29 H LYS 29 -13.201 -10.131 -0.925 35 HA LYS 29 HA LYS 29 -14.330 -7.484 -1.312 36 2HB LYS 29 2HB LYS 29 -14.447 -9.521 0.914 37 2HG LYS 29 2HG LYS 29 -15.893 -6.859 0.972 38 2HD LYS 29 2HD LYS 29 -15.240 -7.668 3.554 39 2HE LYS 29 2HE LYS 29 -17.517 -7.012 2.298 40 1HZ LYS 29 1HZ LYS 29 -17.372 -9.898 2.198 41 2HZ LYS 29 2HZ LYS 29 -18.807 -9.242 2.623 42 3HZ LYS 29 3HZ LYS 29 -18.127 -8.858 1.189 43 H PHE 30 H PHE 30 -13.622 -5.620 -0.162 44 HA PHE 30 HA PHE 30 -10.908 -5.923 0.917 45 2HB PHE 30 2HB PHE 30 -10.517 -4.491 -0.884 46 HD1 PHE 30 1HD PHE 30 -11.472 -4.857 -2.965 47 HD2 PHE 30 2HD PHE 30 -13.800 -2.994 0.055 48 HE1 PHE 30 1HE PHE 30 -13.303 -4.444 -4.630 49 HE2 PHE 30 2HE PHE 30 -15.632 -2.582 -1.610 50 HZ PHE 30 HZ PHE 30 -15.362 -3.312 -3.933 51 H ALA 31 H ALA 31 -10.495 -3.506 2.105 52 HA ALA 31 HA ALA 31 -12.211 -3.702 4.391 53 1HB ALA 31 1HB ALA 31 -10.241 -3.083 5.284 54 2HB ALA 31 2HB ALA 31 -9.594 -2.635 3.688 55 3HB ALA 31 3HB ALA 31 -10.534 -1.453 4.631 56 H GLU 32 H GLU 32 -12.383 -1.016 5.239 57 HA GLU 32 HA GLU 32 -14.236 -0.002 3.229 58 2HB GLU 32 2HB GLU 32 -15.368 -0.681 5.294 59 2HG GLU 32 2HG GLU 32 -13.295 1.132 6.590 60 H CYS 33 H CYS 33 -11.552 0.736 5.465 61 HA CYS 33 HA CYS 33 -11.597 3.500 5.225 62 2HB CYS 33 2HB CYS 33 -9.298 1.595 5.759 63 HG CYS 33 HG CYS 33 -9.513 4.760 6.610 64 H LEU 34 H LEU 34 -10.905 0.968 2.952 65 HA LEU 34 HA LEU 34 -8.997 2.294 1.364 66 2HB LEU 34 2HB LEU 34 -9.433 0.595 -0.247 67 HG LEU 34 HG LEU 34 -10.098 -1.013 2.176 68 1HD1 LEU 34 1HD1 LEU 34 -9.357 -2.590 0.802 69 2HD1 LEU 34 2HD1 LEU 34 -8.808 -1.378 -0.382 70 3HD1 LEU 34 3HD1 LEU 34 -7.730 -1.882 0.942 71 1HD2 LEU 34 1HD2 LEU 34 -8.747 0.464 3.345 72 2HD2 LEU 34 2HD2 LEU 34 -7.593 -0.779 2.807 73 3HD2 LEU 34 3HD2 LEU 34 -7.692 0.777 1.947 74 H GLU 35 H GLU 35 -12.264 2.998 2.051 75 HA GLU 35 HA GLU 35 -12.685 4.186 -0.553 76 2HB GLU 35 2HB GLU 35 -14.990 4.413 0.079 77 2HG GLU 35 2HG GLU 35 -14.551 1.933 1.661 78 H LYS 36 H LYS 36 -10.614 5.191 1.362 79 HA LYS 36 HA LYS 36 -11.789 7.742 2.164 80 2HB LYS 36 2HB LYS 36 -9.429 7.953 3.244 81 2HG LYS 36 2HG LYS 36 -10.472 5.878 4.851 82 2HD LYS 36 2HD LYS 36 -11.721 8.570 5.137 83 2HE LYS 36 2HE LYS 36 -10.629 6.413 6.794 84 1HZ LYS 36 1HZ LYS 36 -9.890 8.152 8.468 85 2HZ LYS 36 2HZ LYS 36 -8.832 7.732 7.297 86 3HZ LYS 36 3HZ LYS 36 -9.656 9.138 7.186 87 H LYS 37 H LYS 37 -10.300 6.298 -0.500 88 HA LYS 37 HA LYS 37 -9.225 7.055 -2.278 89 2HB LYS 37 2HB LYS 37 -9.831 9.424 -2.982 90 2HG LYS 37 2HG LYS 37 -11.350 7.046 -2.900 91 2HD LYS 37 2HD LYS 37 -12.685 9.180 -1.393 92 2HE LYS 37 2HE LYS 37 -14.308 7.949 -3.657 93 1HZ LYS 37 1HZ LYS 37 -15.806 9.684 -2.996 94 2HZ LYS 37 2HZ LYS 37 -15.451 8.756 -1.700 95 3HZ LYS 37 3HZ LYS 37 -14.766 10.229 -1.860 96 H VAL 38 H VAL 38 -7.646 8.936 -3.117 97 HA VAL 38 HA VAL 38 -6.121 10.116 -0.984 98 HB VAL 38 HB VAL 38 -4.053 8.980 -1.505 99 1HG1 VAL 38 1HG1 VAL 38 -4.501 6.850 -0.468 100 2HG1 VAL 38 2HG1 VAL 38 -5.591 8.063 0.246 101 3HG1 VAL 38 3HG1 VAL 38 -6.209 6.913 -0.964 102 1HG2 VAL 38 1HG2 VAL 38 -5.725 7.556 -3.574 103 2HG2 VAL 38 2HG2 VAL 38 -4.154 8.374 -3.762 104 3HG2 VAL 38 3HG2 VAL 38 -4.250 6.813 -2.912 105 H ASP 39 H ASP 39 -3.759 10.580 -2.562 106 HA ASP 39 HA ASP 39 -4.500 11.491 -5.108 107 2HB ASP 39 2HB ASP 39 -3.699 13.841 -3.461 108 H MET 40 H MET 40 -2.516 10.446 -5.721 109 HA MET 40 HA MET 40 -0.156 10.692 -4.302 110 2HB MET 40 2HB MET 40 0.870 9.793 -6.419 111 2HG MET 40 2HG MET 40 -0.872 7.893 -6.816 112 1HE MET 40 1HE MET 40 -0.679 7.871 -2.446 113 2HE MET 40 2HE MET 40 0.257 9.324 -2.870 114 3HE MET 40 3HE MET 40 -1.399 9.121 -3.490 115 H SER 41 H SER 41 -1.761 12.868 -6.548 116 HA SER 41 HA SER 41 0.568 14.244 -7.329 117 2HB SER 41 2HB SER 41 -2.225 15.430 -7.311 118 HG SER 41 HG SER 41 -1.200 16.838 -8.544 119 H LYS 42 H LYS 42 -1.001 13.973 -4.355 120 HA LYS 42 HA LYS 42 -0.101 16.654 -3.557 121 2HB LYS 42 2HB LYS 42 -1.886 16.843 -2.062 122 2HG LYS 42 2HG LYS 42 -3.951 16.110 -3.403 123 2HD LYS 42 2HD LYS 42 -1.696 17.814 -4.427 124 2HE LYS 42 2HE LYS 42 -3.800 16.588 -6.140 125 1HZ LYS 42 1HZ LYS 42 -3.179 19.354 -6.712 126 2HZ LYS 42 2HZ LYS 42 -4.502 18.482 -7.106 127 3HZ LYS 42 3HZ LYS 42 -4.333 19.069 -5.591 128 H VAL 43 H VAL 43 -0.285 13.150 -2.819 129 HA VAL 43 HA VAL 43 1.685 13.603 -0.692 130 HB VAL 43 HB VAL 43 0.166 12.429 0.443 131 1HG1 VAL 43 1HG1 VAL 43 -1.652 11.118 -0.524 132 2HG1 VAL 43 2HG1 VAL 43 -1.524 12.694 -1.341 133 3HG1 VAL 43 3HG1 VAL 43 -0.903 11.227 -2.134 134 1HG2 VAL 43 1HG2 VAL 43 1.113 10.079 -1.226 135 2HG2 VAL 43 2HG2 VAL 43 2.057 10.827 0.085 136 3HG2 VAL 43 3HG2 VAL 43 0.499 10.044 0.444 137 H ASN 44 H ASN 44 3.541 12.149 -0.587 138 HA ASN 44 HA ASN 44 4.388 11.486 -3.254 139 2HB ASN 44 2HB ASN 44 6.537 10.842 -1.704 140 1HD2 ASN 44 1HD2 ASN 44 7.840 13.015 -1.013 141 2HD2 ASN 44 2HD2 ASN 44 7.872 14.218 -2.258 142 H LEU 45 H LEU 45 4.312 9.356 -3.996 143 HA LEU 45 HA LEU 45 3.608 7.296 -2.082 144 2HB LEU 45 2HB LEU 45 2.730 7.854 -4.579 145 HG LEU 45 HG LEU 45 3.377 6.234 -6.153 146 1HD1 LEU 45 1HD1 LEU 45 6.166 6.701 -5.484 147 2HD1 LEU 45 2HD1 LEU 45 5.194 7.312 -6.845 148 3HD1 LEU 45 3HD1 LEU 45 5.180 8.169 -5.285 149 1HD2 LEU 45 1HD2 LEU 45 3.787 4.520 -4.172 150 2HD2 LEU 45 2HD2 LEU 45 4.500 4.283 -5.785 151 3HD2 LEU 45 3HD2 LEU 45 5.486 4.961 -4.467 152 H GLU 46 H GLU 46 6.381 8.564 -3.800 153 HA GLU 46 HA GLU 46 7.878 6.256 -3.992 154 2HB GLU 46 2HB GLU 46 9.641 8.434 -3.424 155 2HG GLU 46 2HG GLU 46 8.538 7.339 -6.054 156 H VAL 47 H VAL 47 7.340 8.538 -1.275 157 HA VAL 47 HA VAL 47 9.352 7.422 0.378 158 HB VAL 47 HB VAL 47 8.113 8.692 2.155 159 1HG1 VAL 47 1HG1 VAL 47 8.458 10.972 0.839 160 2HG1 VAL 47 2HG1 VAL 47 9.838 9.945 1.299 161 3HG1 VAL 47 3HG1 VAL 47 9.204 9.891 -0.364 162 1HG2 VAL 47 1HG2 VAL 47 5.976 8.525 0.369 163 2HG2 VAL 47 2HG2 VAL 47 6.054 9.510 1.850 164 3HG2 VAL 47 3HG2 VAL 47 6.491 10.225 0.280 165 H ILE 48 H ILE 48 6.483 6.133 -0.834 166 HA ILE 48 HA ILE 48 6.132 4.472 1.562 167 HB ILE 48 HB ILE 48 4.065 4.478 -0.548 168 2HG1 ILE 48 2HG1 ILE 48 3.113 6.579 -0.027 169 1HG2 ILE 48 1HG2 ILE 48 4.113 3.269 1.751 170 2HG2 ILE 48 2HG2 ILE 48 3.663 4.861 2.406 171 3HG2 ILE 48 3HG2 ILE 48 2.613 4.063 1.210 172 1HD1 ILE 48 1HD1 ILE 48 3.444 6.841 2.324 173 2HD1 ILE 48 2HD1 ILE 48 5.209 6.667 2.175 174 3HD1 ILE 48 3HD1 ILE 48 4.407 8.141 1.582 175 H LYS 49 H LYS 49 7.774 4.562 -1.298 176 HA LYS 49 HA LYS 49 7.070 2.096 -2.464 177 2HB LYS 49 2HB LYS 49 9.344 2.371 -3.571 178 2HG LYS 49 2HG LYS 49 8.596 4.577 -4.712 179 2HD LYS 49 2HD LYS 49 6.183 3.259 -5.160 180 2HE LYS 49 2HE LYS 49 7.407 2.128 -7.033 181 1HZ LYS 49 1HZ LYS 49 8.071 4.092 -8.056 182 2HZ LYS 49 2HZ LYS 49 6.901 4.564 -7.018 183 3HZ LYS 49 3HZ LYS 49 8.471 4.830 -6.654 184 HA PRO 50 HA PRO 50 10.571 0.498 0.297 185 2HB PRO 50 2HB PRO 50 12.229 1.990 0.873 186 2HG PRO 50 2HG PRO 50 11.630 4.209 0.698 187 2HD PRO 50 2HD PRO 50 9.938 4.056 -0.850 188 H TRP 51 H TRP 51 8.004 2.322 1.723 189 HA TRP 51 HA TRP 51 7.811 0.661 4.023 190 2HB TRP 51 2HB TRP 51 5.785 2.539 2.795 191 HD1 TRP 51 HD TRP 51 6.529 2.609 6.507 192 HE1 TRP 51 1HE TRP 51 4.502 1.727 7.948 193 HE3 TRP 51 3HE TRP 51 3.874 0.746 2.591 194 HZ2 TRP 51 2HZ TRP 51 2.070 0.380 7.305 195 HZ3 TRP 51 3HZ TRP 51 1.683 -0.337 3.084 196 HH2 TRP 51 HH TRP 51 0.774 -0.536 5.344 197 H ILE 52 H ILE 52 6.118 0.927 0.828 198 HA ILE 52 HA ILE 52 4.341 -1.190 1.322 199 HB ILE 52 HB ILE 52 5.199 0.457 -0.980 200 2HG1 ILE 52 2HG1 ILE 52 2.974 0.245 0.755 201 1HG2 ILE 52 1HG2 ILE 52 3.788 -2.195 -1.380 202 2HG2 ILE 52 2HG2 ILE 52 4.029 -0.936 -2.614 203 3HG2 ILE 52 3HG2 ILE 52 5.433 -1.786 -1.924 204 1HD1 ILE 52 1HD1 ILE 52 2.145 2.125 -0.847 205 2HD1 ILE 52 2HD1 ILE 52 3.680 2.389 0.014 206 3HD1 ILE 52 3HD1 ILE 52 3.692 1.891 -1.695 207 H THR 53 H THR 53 7.506 -1.018 -0.441 208 HA THR 53 HA THR 53 7.587 -3.729 -1.118 209 HB THR 53 HB THR 53 9.719 -1.579 -0.679 210 HG1 THR 53 1HG THR 53 9.531 -2.059 -3.173 211 1HG2 THR 53 1HG2 THR 53 10.332 -4.263 -0.754 212 2HG2 THR 53 2HG2 THR 53 10.215 -3.906 -2.494 213 3HG2 THR 53 3HG2 THR 53 11.363 -3.003 -1.476 214 H LYS 54 H LYS 54 8.583 -1.990 1.856 215 HA LYS 54 HA LYS 54 9.829 -4.289 2.970 216 2HB LYS 54 2HB LYS 54 8.925 -1.652 4.159 217 2HG LYS 54 2HG LYS 54 10.905 -3.558 5.430 218 2HD LYS 54 2HD LYS 54 8.950 -1.634 6.743 219 2HE LYS 54 2HE LYS 54 11.701 -2.697 7.548 220 1HZ LYS 54 1HZ LYS 54 11.181 -0.555 8.463 221 2HZ LYS 54 2HZ LYS 54 9.725 -1.070 8.993 222 3HZ LYS 54 3HZ LYS 54 11.094 -1.682 9.641 223 H ARG 55 H ARG 55 6.547 -2.885 2.948 224 HA ARG 55 HA ARG 55 5.629 -4.515 5.041 225 2HB ARG 55 2HB ARG 55 3.351 -3.846 3.625 226 2HG ARG 55 2HG ARG 55 3.408 -1.680 4.997 227 2HD ARG 55 2HD ARG 55 4.118 -4.301 6.404 228 HE ARG 55 HE ARG 55 3.468 -1.673 7.498 229 1HH1 ARG 55 2HH2 ARG 55 3.142 -5.139 8.013 230 2HH1 ARG 55 1HH2 ARG 55 2.941 -4.994 9.728 231 1HH2 ARG 55 2HH1 ARG 55 3.204 -1.482 9.760 232 2HH2 ARG 55 1HH1 ARG 55 2.976 -2.900 10.728 233 H VAL 56 H VAL 56 5.329 -4.602 1.422 234 HA VAL 56 HA VAL 56 3.811 -6.941 1.309 235 HB VAL 56 HB VAL 56 4.583 -7.011 -1.038 236 1HG1 VAL 56 1HG1 VAL 56 3.159 -4.888 0.291 237 2HG1 VAL 56 2HG1 VAL 56 4.017 -4.240 -1.128 238 3HG1 VAL 56 3HG1 VAL 56 2.882 -5.598 -1.317 239 1HG2 VAL 56 1HG2 VAL 56 6.750 -6.319 -1.241 240 2HG2 VAL 56 2HG2 VAL 56 5.943 -4.776 -1.613 241 3HG2 VAL 56 3HG2 VAL 56 6.590 -5.072 0.019 242 H THR 57 H THR 57 7.383 -6.367 1.183 243 HA THR 57 HA THR 57 8.083 -9.052 0.801 244 HB THR 57 HB THR 57 9.590 -6.746 2.144 245 HG1 THR 57 1HG THR 57 8.900 -7.649 -0.515 246 1HG2 THR 57 1HG2 THR 57 11.228 -8.412 0.481 247 2HG2 THR 57 2HG2 THR 57 11.351 -8.197 2.244 248 3HG2 THR 57 3HG2 THR 57 10.339 -9.500 1.575 249 H GLU 58 H GLU 58 7.462 -7.139 3.780 250 HA GLU 58 HA GLU 58 8.279 -9.264 5.446 251 2HB GLU 58 2HB GLU 58 6.863 -7.756 7.146 252 2HG GLU 58 2HG GLU 58 9.189 -6.238 6.064 253 H ILE 59 H ILE 59 5.281 -8.301 3.830 254 HA ILE 59 HA ILE 59 3.443 -9.609 5.441 255 HB ILE 59 HB ILE 59 3.556 -8.730 2.594 256 2HG1 ILE 59 2HG1 ILE 59 2.990 -7.348 4.766 257 1HG2 ILE 59 1HG2 ILE 59 2.426 -10.929 2.530 258 2HG2 ILE 59 2HG2 ILE 59 1.255 -10.338 3.734 259 3HG2 ILE 59 3HG2 ILE 59 1.341 -9.576 2.127 260 1HD1 ILE 59 1HD1 ILE 59 1.972 -7.288 1.983 261 2HD1 ILE 59 2HD1 ILE 59 0.963 -6.391 3.141 262 3HD1 ILE 59 3HD1 ILE 59 2.686 -5.983 2.961 263 H LEU 60 H LEU 60 5.388 -10.802 2.632 264 HA LEU 60 HA LEU 60 4.464 -13.500 3.275 265 2HB LEU 60 2HB LEU 60 4.383 -13.794 1.100 266 HG LEU 60 HG LEU 60 4.257 -11.124 1.115 267 1HD1 LEU 60 1HD1 LEU 60 5.901 -10.082 -0.284 268 2HD1 LEU 60 2HD1 LEU 60 6.741 -10.908 1.051 269 3HD1 LEU 60 3HD1 LEU 60 6.718 -11.637 -0.573 270 1HD2 LEU 60 1HD2 LEU 60 3.665 -13.153 -0.672 271 2HD2 LEU 60 2HD2 LEU 60 3.184 -11.446 -0.812 272 3HD2 LEU 60 3HD2 LEU 60 4.654 -12.026 -1.632 273 H GLY 61 H GLY 61 7.442 -11.514 2.769 274 1HA GLY 61 1HA GLY 61 9.120 -11.908 4.556 275 2HA GLY 61 2HA GLY 61 8.941 -13.618 4.213 276 H PHE 62 H PHE 62 8.466 -12.349 1.225 277 HA PHE 62 HA PHE 62 11.332 -12.118 0.654 278 2HB PHE 62 2HB PHE 62 10.752 -14.328 -0.092 279 HD1 PHE 62 1HD PHE 62 8.231 -12.647 -2.213 280 HD2 PHE 62 2HD PHE 62 8.923 -15.475 0.874 281 HE1 PHE 62 1HE PHE 62 5.855 -13.436 -2.403 282 HE2 PHE 62 2HE PHE 62 6.548 -16.264 0.684 283 HZ PHE 62 HZ PHE 62 5.043 -15.235 -0.953 284 H GLU 63 H GLU 63 11.825 -10.951 -1.377 285 HA GLU 63 HA GLU 63 10.184 -8.687 -1.596 286 2HB GLU 63 2HB GLU 63 12.428 -9.565 -3.462 287 2HG GLU 63 2HG GLU 63 12.247 -6.731 -2.796 288 H ASP 64 H ASP 64 8.235 -8.648 -2.626 289 HA ASP 64 HA ASP 64 7.627 -10.633 -4.547 290 2HB ASP 64 2HB ASP 64 5.641 -8.675 -4.740 291 H ASP 65 H ASP 65 6.086 -9.236 -6.481 292 HA ASP 65 HA ASP 65 7.707 -7.126 -7.530 293 2HB ASP 65 2HB ASP 65 7.353 -8.801 -9.782 294 H VAL 66 H VAL 66 5.175 -9.634 -8.298 295 HA VAL 66 HA VAL 66 3.708 -7.999 -10.041 296 HB VAL 66 HB VAL 66 3.751 -10.614 -9.417 297 1HG1 VAL 66 1HG1 VAL 66 2.644 -10.366 -7.266 298 2HG1 VAL 66 2HG1 VAL 66 1.282 -9.513 -8.031 299 3HG1 VAL 66 3HG1 VAL 66 1.575 -11.229 -8.396 300 1HG2 VAL 66 1HG2 VAL 66 2.120 -10.888 -11.045 301 2HG2 VAL 66 2HG2 VAL 66 1.179 -9.481 -10.493 302 3HG2 VAL 66 3HG2 VAL 66 2.701 -9.240 -11.382 303 H VAL 67 H VAL 67 3.562 -8.596 -6.494 304 HA VAL 67 HA VAL 67 1.208 -7.034 -6.160 305 HB VAL 67 HB VAL 67 1.315 -7.685 -3.998 306 1HG1 VAL 67 1HG1 VAL 67 3.419 -9.651 -4.895 307 2HG1 VAL 67 2HG1 VAL 67 1.997 -9.914 -3.856 308 3HG1 VAL 67 3HG1 VAL 67 1.788 -9.667 -5.607 309 1HG2 VAL 67 1HG2 VAL 67 4.318 -7.331 -4.171 310 2HG2 VAL 67 2HG2 VAL 67 3.143 -6.376 -3.237 311 3HG2 VAL 67 3HG2 VAL 67 3.510 -8.050 -2.758 312 H ILE 68 H ILE 68 4.756 -6.488 -5.885 313 HA ILE 68 HA ILE 68 4.555 -3.913 -4.799 314 HB ILE 68 HB ILE 68 6.753 -5.118 -6.484 315 2HG1 ILE 68 2HG1 ILE 68 6.076 -6.536 -4.547 316 1HG2 ILE 68 1HG2 ILE 68 7.283 -3.136 -4.327 317 2HG2 ILE 68 2HG2 ILE 68 8.120 -3.410 -5.874 318 3HG2 ILE 68 3HG2 ILE 68 6.572 -2.531 -5.843 319 1HD1 ILE 68 1HD1 ILE 68 8.715 -5.298 -3.796 320 2HD1 ILE 68 2HD1 ILE 68 8.276 -7.015 -3.961 321 3HD1 ILE 68 3HD1 ILE 68 8.559 -6.025 -5.413 322 H GLU 69 H GLU 69 4.818 -5.123 -8.198 323 HA GLU 69 HA GLU 69 4.941 -2.632 -9.365 324 2HB GLU 69 2HB GLU 69 3.572 -4.268 -11.197 325 2HG GLU 69 2HG GLU 69 6.502 -4.710 -11.007 326 H PHE 70 H PHE 70 2.141 -4.658 -8.365 327 HA PHE 70 HA PHE 70 0.137 -3.214 -9.595 328 2HB PHE 70 2HB PHE 70 -0.934 -4.068 -7.171 329 HD1 PHE 70 1HD PHE 70 -1.663 -4.036 -10.045 330 HD2 PHE 70 2HD PHE 70 -0.184 -7.187 -7.618 331 HE1 PHE 70 1HE PHE 70 -2.776 -5.714 -11.545 332 HE2 PHE 70 2HE PHE 70 -1.297 -8.864 -9.117 333 HZ PHE 70 HZ PHE 70 -2.579 -8.107 -11.062 334 H ILE 71 H ILE 71 1.671 -2.762 -6.343 335 HA ILE 71 HA ILE 71 -0.009 -0.571 -5.689 336 HB ILE 71 HB ILE 71 2.598 -1.542 -4.514 337 2HG1 ILE 71 2HG1 ILE 71 0.007 -2.678 -4.480 338 1HG2 ILE 71 1HG2 ILE 71 2.629 0.403 -3.426 339 2HG2 ILE 71 2HG2 ILE 71 0.986 0.830 -3.960 340 3HG2 ILE 71 3HG2 ILE 71 1.216 -0.204 -2.530 341 1HD1 ILE 71 1HD1 ILE 71 2.619 -3.422 -3.943 342 2HD1 ILE 71 2HD1 ILE 71 1.881 -3.464 -2.323 343 3HD1 ILE 71 3HD1 ILE 71 1.191 -4.440 -3.640 344 H PHE 72 H PHE 72 3.352 -0.935 -6.965 345 HA PHE 72 HA PHE 72 3.954 1.782 -6.961 346 2HB PHE 72 2HB PHE 72 5.530 0.881 -8.900 347 HD1 PHE 72 1HD PHE 72 4.582 0.158 -5.478 348 HD2 PHE 72 2HD PHE 72 7.701 -0.177 -8.337 349 HE1 PHE 72 1HE PHE 72 6.228 -0.271 -3.633 350 HE2 PHE 72 2HE PHE 72 9.346 -0.607 -6.492 351 HZ PHE 72 HZ PHE 72 8.591 -0.647 -4.161 352 H ASN 73 H ASN 73 2.612 -0.354 -9.570 353 HA ASN 73 HA ASN 73 2.538 1.614 -11.498 354 2HB ASN 73 2HB ASN 73 0.510 0.060 -12.331 355 1HD2 ASN 73 1HD2 ASN 73 3.427 -1.403 -10.928 356 2HD2 ASN 73 2HD2 ASN 73 4.260 -1.716 -12.415 357 H GLN 74 H GLN 74 0.192 0.547 -8.966 358 HA GLN 74 HA GLN 74 -1.890 2.197 -9.888 359 2HB GLN 74 2HB GLN 74 -2.683 1.732 -7.388 360 2HG GLN 74 2HG GLN 74 -3.842 0.587 -9.111 361 1HE2 GLN 74 1HE2 GLN 74 -2.296 -2.286 -9.200 362 2HE2 GLN 74 2HE2 GLN 74 -1.493 -2.203 -10.732 363 H LEU 75 H LEU 75 0.751 2.531 -7.474 364 HA LEU 75 HA LEU 75 -0.244 5.056 -6.547 365 2HB LEU 75 2HB LEU 75 1.974 5.072 -5.339 366 HG LEU 75 HG LEU 75 0.383 2.532 -4.892 367 1HD1 LEU 75 1HD1 LEU 75 2.579 2.670 -3.745 368 2HD1 LEU 75 2HD1 LEU 75 2.035 4.166 -2.949 369 3HD1 LEU 75 3HD1 LEU 75 1.196 2.630 -2.625 370 1HD2 LEU 75 1HD2 LEU 75 -0.917 3.861 -3.245 371 2HD2 LEU 75 2HD2 LEU 75 -0.130 5.334 -3.863 372 3HD2 LEU 75 3HD2 LEU 75 -1.173 4.367 -4.933 373 H GLU 76 H GLU 76 1.209 4.019 -9.396 374 HA GLU 76 HA GLU 76 2.975 6.238 -9.687 375 2HB GLU 76 2HB GLU 76 2.789 5.242 -12.204 376 2HG GLU 76 2HG GLU 76 4.274 3.278 -10.715 377 H VAL 77 H VAL 77 -0.352 5.952 -9.675 378 HA VAL 77 HA VAL 77 -0.696 7.941 -11.802 379 HB VAL 77 HB VAL 77 -2.930 7.248 -11.964 380 1HG1 VAL 77 1HG1 VAL 77 -1.144 4.836 -11.518 381 2HG1 VAL 77 2HG1 VAL 77 -2.766 4.749 -12.246 382 3HG1 VAL 77 3HG1 VAL 77 -1.479 5.679 -13.049 383 1HG2 VAL 77 1HG2 VAL 77 -3.084 5.190 -9.910 384 2HG2 VAL 77 2HG2 VAL 77 -2.773 6.797 -9.209 385 3HG2 VAL 77 3HG2 VAL 77 -4.189 6.540 -10.257 386 H LYS 78 H LYS 78 -3.027 9.180 -10.978 387 HA LYS 78 HA LYS 78 -2.052 10.588 -8.609 388 2HB LYS 78 2HB LYS 78 -3.553 12.407 -9.379 389 2HG LYS 78 2HG LYS 78 -1.073 11.863 -10.265 390 2HD LYS 78 2HD LYS 78 -2.451 12.122 -12.925 391 2HE LYS 78 2HE LYS 78 -0.154 10.286 -12.553 392 1HZ LYS 78 1HZ LYS 78 0.100 10.977 -14.611 393 2HZ LYS 78 2HZ LYS 78 -1.220 11.931 -14.476 394 3HZ LYS 78 3HZ LYS 78 0.263 12.536 -14.154 395 H ASN 79 H ASN 79 -4.487 8.377 -9.763 396 HA ASN 79 HA ASN 79 -5.748 8.602 -7.162 397 2HB ASN 79 2HB ASN 79 -7.783 7.844 -9.044 398 1HD2 ASN 79 1HD2 ASN 79 -6.289 10.802 -7.725 399 2HD2 ASN 79 2HD2 ASN 79 -7.638 11.322 -6.772 400 HA PRO 80 HA PRO 80 -4.769 4.311 -8.167 401 2HB PRO 80 2HB PRO 80 -2.910 4.166 -6.816 402 2HG PRO 80 2HG PRO 80 -2.633 5.938 -5.366 403 2HD PRO 80 2HD PRO 80 -3.807 7.568 -6.485 404 H ASP 81 H ASP 81 -5.818 2.299 -7.904 405 HA ASP 81 HA ASP 81 -8.424 2.768 -6.753 406 2HB ASP 81 2HB ASP 81 -7.297 0.500 -8.459 407 H SER 82 H SER 82 -8.224 2.411 -4.492 408 HA SER 82 HA SER 82 -6.484 0.661 -3.323 409 2HB SER 82 2HB SER 82 -9.200 1.195 -2.102 410 HG SER 82 HG SER 82 -7.566 0.124 -0.822 411 H LYS 83 H LYS 83 -9.716 0.138 -4.742 412 HA LYS 83 HA LYS 83 -10.286 -2.326 -3.585 413 2HB LYS 83 2HB LYS 83 -11.888 -2.580 -5.386 414 2HG LYS 83 2HG LYS 83 -13.095 -0.460 -5.160 415 2HD LYS 83 2HD LYS 83 -11.438 -0.934 -2.637 416 2HE LYS 83 2HE LYS 83 -12.911 1.121 -2.655 417 1HZ LYS 83 1HZ LYS 83 -15.315 -0.309 -2.436 418 2HZ LYS 83 2HZ LYS 83 -14.958 0.952 -3.410 419 3HZ LYS 83 3HZ LYS 83 -14.653 -0.573 -3.905 420 H MET 84 H MET 84 -8.502 -1.474 -6.619 421 HA MET 84 HA MET 84 -8.035 -4.150 -7.290 422 2HB MET 84 2HB MET 84 -5.969 -2.548 -8.416 423 2HG MET 84 2HG MET 84 -7.909 -2.313 -10.288 424 1HE MET 84 1HE MET 84 -7.972 -5.628 -8.734 425 2HE MET 84 2HE MET 84 -6.795 -6.637 -9.608 426 3HE MET 84 3HE MET 84 -6.253 -5.592 -8.273 427 H MET 85 H MET 85 -6.327 -1.760 -5.264 428 HA MET 85 HA MET 85 -3.875 -3.038 -5.182 429 2HB MET 85 2HB MET 85 -4.753 -1.728 -2.657 430 2HG MET 85 2HG MET 85 -2.352 -2.008 -3.562 431 1HE MET 85 1HE MET 85 -3.136 1.420 -3.995 432 2HE MET 85 2HE MET 85 -2.198 1.883 -5.435 433 3HE MET 85 3HE MET 85 -3.933 1.513 -5.583 434 H GLN 86 H GLN 86 -6.710 -3.238 -2.916 435 HA GLN 86 HA GLN 86 -5.464 -5.180 -1.318 436 2HB GLN 86 2HB GLN 86 -8.390 -5.220 -1.192 437 2HG GLN 86 2HG GLN 86 -6.804 -3.775 0.869 438 1HE2 GLN 86 1HE2 GLN 86 -8.147 -7.021 0.265 439 2HE2 GLN 86 2HE2 GLN 86 -9.377 -6.981 1.484 440 H ILE 87 H ILE 87 -7.576 -5.249 -4.195 441 HA ILE 87 HA ILE 87 -8.229 -7.995 -3.985 442 HB ILE 87 HB ILE 87 -8.481 -5.844 -6.031 443 2HG1 ILE 87 2HG1 ILE 87 -10.100 -6.660 -4.037 444 1HG2 ILE 87 1HG2 ILE 87 -7.946 -7.355 -7.638 445 2HG2 ILE 87 2HG2 ILE 87 -8.351 -8.758 -6.620 446 3HG2 ILE 87 3HG2 ILE 87 -9.647 -7.817 -7.398 447 1HD1 ILE 87 1HD1 ILE 87 -10.396 -5.220 -6.580 448 2HD1 ILE 87 2HD1 ILE 87 -11.916 -5.994 -6.070 449 3HD1 ILE 87 3HD1 ILE 87 -11.092 -4.851 -4.984 450 H ASN 88 H ASN 88 -5.616 -6.109 -5.577 451 HA ASN 88 HA ASN 88 -4.588 -8.342 -6.929 452 2HB ASN 88 2HB ASN 88 -2.442 -6.690 -6.836 453 1HD2 ASN 88 1HD2 ASN 88 -3.675 -4.269 -8.069 454 2HD2 ASN 88 2HD2 ASN 88 -4.235 -4.755 -9.634 455 H LEU 89 H LEU 89 -3.785 -6.549 -3.878 456 HA LEU 89 HA LEU 89 -1.516 -8.009 -3.201 457 2HB LEU 89 2HB LEU 89 -2.202 -7.229 -0.836 458 HG LEU 89 HG LEU 89 -1.981 -5.023 -2.895 459 1HD1 LEU 89 1HD1 LEU 89 -0.693 -4.945 -0.202 460 2HD1 LEU 89 2HD1 LEU 89 -1.339 -3.626 -1.207 461 3HD1 LEU 89 3HD1 LEU 89 -2.450 -4.690 -0.312 462 1HD2 LEU 89 1HD2 LEU 89 0.579 -5.446 -2.016 463 2HD2 LEU 89 2HD2 LEU 89 -0.044 -7.107 -2.163 464 3HD2 LEU 89 3HD2 LEU 89 -0.088 -6.011 -3.566 465 H THR 90 H THR 90 -5.007 -8.508 -2.397 466 HA THR 90 HA THR 90 -4.625 -10.724 -0.743 467 HB THR 90 HB THR 90 -6.960 -9.935 -2.565 468 HG1 THR 90 1HG THR 90 -6.327 -9.504 0.267 469 1HG2 THR 90 1HG2 THR 90 -7.666 -12.024 -1.743 470 2HG2 THR 90 2HG2 THR 90 -6.625 -11.918 -0.303 471 3HG2 THR 90 3HG2 THR 90 -8.132 -10.975 -0.383 472 H GLY 91 H GLY 91 -4.280 -10.368 -4.201 473 1HA GLY 91 1HA GLY 91 -4.803 -13.069 -4.914 474 2HA GLY 91 2HA GLY 91 -3.940 -11.866 -5.852 475 H PHE 92 H PHE 92 -2.046 -11.347 -3.483 476 HA PHE 92 HA PHE 92 -0.424 -13.760 -3.889 477 2HB PHE 92 2HB PHE 92 1.072 -11.470 -2.935 478 HD1 PHE 92 1HD PHE 92 -0.113 -12.723 -6.257 479 HD2 PHE 92 2HD PHE 92 3.187 -11.859 -3.733 480 HE1 PHE 92 1HE PHE 92 1.462 -13.523 -8.041 481 HE2 PHE 92 2HE PHE 92 4.762 -12.658 -5.517 482 HZ PHE 92 HZ PHE 92 3.880 -13.481 -7.650 483 H LEU 93 H LEU 93 -1.585 -11.280 -1.565 484 HA LEU 93 HA LEU 93 -0.115 -12.382 0.614 485 2HB LEU 93 2HB LEU 93 -1.279 -10.780 1.948 486 HG LEU 93 HG LEU 93 -1.150 -9.201 -0.585 487 1HD1 LEU 93 1HD1 LEU 93 -0.479 -8.806 2.314 488 2HD1 LEU 93 2HD1 LEU 93 0.272 -7.772 1.074 489 3HD1 LEU 93 3HD1 LEU 93 -1.501 -7.825 1.234 490 1HD2 LEU 93 1HD2 LEU 93 0.719 -10.383 -1.155 491 2HD2 LEU 93 2HD2 LEU 93 1.446 -9.173 -0.072 492 3HD2 LEU 93 3HD2 LEU 93 1.104 -10.815 0.529 493 H ASN 94 H ASN 94 -1.999 -12.555 2.684 494 HA ASN 94 HA ASN 94 -3.184 -15.076 1.953 495 2HB ASN 94 2HB ASN 94 -3.695 -15.064 4.530 496 1HD2 ASN 94 1HD2 ASN 94 -0.495 -13.751 4.119 497 2HD2 ASN 94 2HD2 ASN 94 0.392 -15.238 4.124 498 H GLY 95 H GLY 95 -3.994 -11.747 2.189 499 1HA GLY 95 1HA GLY 95 -6.181 -11.097 1.449 500 2HA GLY 95 2HA GLY 95 -6.868 -12.399 2.398 501 H LYS 96 H LYS 96 -5.816 -12.259 4.884 502 HA LYS 96 HA LYS 96 -7.076 -9.996 5.966 503 2HB LYS 96 2HB LYS 96 -5.374 -11.104 7.919 504 2HG LYS 96 2HG LYS 96 -7.606 -12.373 8.457 505 2HD LYS 96 2HD LYS 96 -8.403 -9.552 8.284 506 2HE LYS 96 2HE LYS 96 -8.362 -11.727 10.175 507 1HZ LYS 96 1HZ LYS 96 -7.082 -9.245 11.085 508 2HZ LYS 96 2HZ LYS 96 -7.704 -10.371 12.091 509 3HZ LYS 96 3HZ LYS 96 -6.442 -10.748 11.125 510 H ASN 97 H ASN 97 -3.708 -10.760 5.058 511 HA ASN 97 HA ASN 97 -2.597 -8.591 6.434 512 2HB ASN 97 2HB ASN 97 -0.926 -9.136 4.214 513 1HD2 ASN 97 1HD2 ASN 97 0.052 -11.701 5.287 514 2HD2 ASN 97 2HD2 ASN 97 0.808 -11.356 6.806 515 H ALA 98 H ALA 98 -4.054 -9.131 3.208 516 HA ALA 98 HA ALA 98 -3.096 -6.810 1.959 517 1HB ALA 98 1HB ALA 98 -5.737 -7.639 1.058 518 2HB ALA 98 2HB ALA 98 -4.168 -7.756 0.222 519 3HB ALA 98 3HB ALA 98 -4.686 -9.050 1.329 520 H ARG 99 H ARG 99 -5.945 -7.517 4.036 521 HA ARG 99 HA ARG 99 -7.139 -5.030 3.588 522 2HB ARG 99 2HB ARG 99 -7.999 -5.903 6.126 523 2HG ARG 99 2HG ARG 99 -8.946 -6.483 3.294 524 2HD ARG 99 2HD ARG 99 -11.094 -7.257 4.331 525 HE ARG 99 HE ARG 99 -8.632 -8.796 4.411 526 1HH1 ARG 99 2HH2 ARG 99 -12.034 -8.889 5.302 527 2HH1 ARG 99 1HH2 ARG 99 -12.129 -10.618 5.265 528 1HH2 ARG 99 2HH1 ARG 99 -8.755 -11.077 4.361 529 2HH2 ARG 99 1HH1 ARG 99 -10.250 -11.871 4.726 530 H GLU 100 H GLU 100 -4.838 -6.340 6.028 531 HA GLU 100 HA GLU 100 -4.944 -4.023 7.637 532 2HB GLU 100 2HB GLU 100 -2.661 -5.173 8.462 533 2HG GLU 100 2HG GLU 100 -4.262 -6.968 9.600 534 H PHE 101 H PHE 101 -2.858 -5.233 4.977 535 HA PHE 101 HA PHE 101 -0.813 -3.370 5.233 536 2HB PHE 101 2HB PHE 101 -2.116 -4.866 2.887 537 HD1 PHE 101 1HD PHE 101 -1.922 -3.094 1.210 538 HD2 PHE 101 2HD PHE 101 1.477 -4.462 3.352 539 HE1 PHE 101 1HE PHE 101 -0.419 -1.989 -0.468 540 HE2 PHE 101 2HE PHE 101 2.980 -3.356 1.673 541 HZ PHE 101 HZ PHE 101 2.013 -2.133 -0.218 542 H MET 102 H MET 102 -3.834 -3.296 3.219 543 HA MET 102 HA MET 102 -3.248 -0.778 2.148 544 2HB MET 102 2HB MET 102 -5.872 -0.915 1.719 545 2HG MET 102 2HG MET 102 -5.541 -2.599 -0.067 546 1HE MET 102 1HE MET 102 -5.629 0.423 0.040 547 2HE MET 102 2HE MET 102 -4.702 0.883 -1.409 548 3HE MET 102 3HE MET 102 -5.799 -0.518 -1.461 549 H GLY 103 H GLY 103 -4.738 -1.874 5.162 550 1HA GLY 103 1HA GLY 103 -6.014 0.654 5.736 551 2HA GLY 103 2HA GLY 103 -5.891 -0.751 6.778 552 H GLU 104 H GLU 104 -2.845 0.060 5.369 553 HA GLU 104 HA GLU 104 -2.186 1.689 7.692 554 2HB GLU 104 2HB GLU 104 0.108 0.430 7.581 555 2HG GLU 104 2HG GLU 104 -1.582 -1.663 8.577 556 H LEU 105 H LEU 105 -1.798 0.857 4.280 557 HA LEU 105 HA LEU 105 0.210 2.948 3.955 558 2HB LEU 105 2HB LEU 105 -0.373 0.444 2.682 559 HG LEU 105 HG LEU 105 0.193 1.135 0.359 560 1HD1 LEU 105 1HD1 LEU 105 -2.413 2.387 0.530 561 2HD1 LEU 105 2HD1 LEU 105 -1.945 0.808 -0.143 562 3HD1 LEU 105 3HD1 LEU 105 -2.310 0.961 1.592 563 1HD2 LEU 105 1HD2 LEU 105 -0.966 3.810 0.572 564 2HD2 LEU 105 2HD2 LEU 105 0.576 3.645 1.445 565 3HD2 LEU 105 3HD2 LEU 105 0.487 3.249 -0.288 566 H TRP 106 H TRP 106 -3.159 2.043 3.116 567 HA TRP 106 HA TRP 106 -3.645 4.128 1.333 568 2HB TRP 106 2HB TRP 106 -5.701 2.953 3.192 569 HD1 TRP 106 HD TRP 106 -7.862 4.266 2.538 570 HE1 TRP 106 1HE TRP 106 -9.046 5.171 0.360 571 HE3 TRP 106 3HE TRP 106 -4.145 2.939 -0.668 572 HZ2 TRP 106 2HZ TRP 106 -8.310 5.230 -2.397 573 HZ3 TRP 106 3HZ TRP 106 -4.456 3.457 -3.086 574 HH2 TRP 106 HH TRP 106 -6.452 4.562 -3.964 575 HA PRO 107 HA PRO 107 -4.792 6.477 5.309 576 2HB PRO 107 2HB PRO 107 -5.476 5.220 7.112 577 2HG PRO 107 2HG PRO 107 -4.826 3.008 7.045 578 2HD PRO 107 2HD PRO 107 -4.549 2.733 4.780 579 H LEU 108 H LEU 108 -1.690 5.000 5.008 580 HA LEU 108 HA LEU 108 -0.203 6.936 6.334 581 2HB LEU 108 2HB LEU 108 1.119 5.829 3.998 582 HG LEU 108 HG LEU 108 1.785 6.317 6.673 583 1HD1 LEU 108 1HD1 LEU 108 1.725 3.342 6.119 584 2HD1 LEU 108 2HD1 LEU 108 2.672 4.106 7.419 585 3HD1 LEU 108 3HD1 LEU 108 0.895 4.224 7.423 586 1HD2 LEU 108 1HD2 LEU 108 3.870 6.274 5.847 587 2HD2 LEU 108 2HD2 LEU 108 3.676 4.644 5.158 588 3HD2 LEU 108 3HD2 LEU 108 3.062 6.062 4.275 589 H LEU 109 H LEU 109 -1.437 6.763 2.954 590 HA LEU 109 HA LEU 109 -0.122 9.163 2.185 591 2HB LEU 109 2HB LEU 109 -1.226 8.901 0.124 592 HG LEU 109 HG LEU 109 -0.793 6.126 1.260 593 1HD1 LEU 109 1HD1 LEU 109 -0.461 6.067 -1.526 594 2HD1 LEU 109 2HD1 LEU 109 -1.756 5.312 -0.565 595 3HD1 LEU 109 3HD1 LEU 109 -1.984 6.943 -1.241 596 1HD2 LEU 109 1HD2 LEU 109 1.044 8.145 0.687 597 2HD2 LEU 109 2HD2 LEU 109 1.386 6.414 0.920 598 3HD2 LEU 109 3HD2 LEU 109 1.118 7.054 -0.718 599 H LEU 110 H LEU 110 -3.241 8.290 3.660 600 HA LEU 110 HA LEU 110 -4.667 10.582 3.125 601 2HB LEU 110 2HB LEU 110 -5.545 9.957 5.587 602 HG LEU 110 HG LEU 110 -7.200 9.551 4.090 603 1HD1 LEU 110 1HD1 LEU 110 -6.172 9.730 2.031 604 2HD1 LEU 110 2HD1 LEU 110 -5.047 8.387 2.351 605 3HD1 LEU 110 3HD1 LEU 110 -6.759 8.050 2.003 606 1HD2 LEU 110 1HD2 LEU 110 -7.980 7.476 4.504 607 2HD2 LEU 110 2HD2 LEU 110 -6.495 6.679 3.930 608 3HD2 LEU 110 3HD2 LEU 110 -6.554 7.383 5.564 609 H SER 111 H SER 111 -2.264 9.915 5.739 610 HA SER 111 HA SER 111 -2.592 12.536 6.783 611 2HB SER 111 2HB SER 111 -0.706 10.229 7.354 612 HG SER 111 HG SER 111 0.123 11.508 9.116 613 H ALA 112 H ALA 112 -0.451 10.843 4.493 614 HA ALA 112 HA ALA 112 1.615 12.746 4.460 615 1HB ALA 112 1HB ALA 112 0.978 11.219 1.983 616 2HB ALA 112 2HB ALA 112 2.510 11.363 2.876 617 3HB ALA 112 3HB ALA 112 1.245 10.252 3.454 618 H GLN 113 H GLN 113 -1.377 12.297 2.470 619 HA GLN 113 HA GLN 113 -0.865 14.392 0.747 620 2HB GLN 113 2HB GLN 113 -2.579 12.645 0.357 621 2HG GLN 113 2HG GLN 113 -3.915 14.029 2.711 622 1HE2 GLN 113 1HE2 GLN 113 -4.590 11.373 0.436 623 2HE2 GLN 113 2HE2 GLN 113 -6.243 11.774 0.112 624 H GLU 114 H GLU 114 -1.664 14.390 4.115 625 HA GLU 114 HA GLU 114 -2.902 16.978 4.011 626 2HB GLU 114 2HB GLU 114 -2.888 16.692 6.556 627 2HG GLU 114 2HG GLU 114 -4.216 14.231 5.911 628 H ASN 115 H ASN 115 0.263 15.711 3.973 629 HA ASN 115 HA ASN 115 1.410 17.771 5.581 630 2HB ASN 115 2HB ASN 115 3.353 16.460 3.868 631 1HD2 ASN 115 1HD2 ASN 115 1.817 15.171 6.778 632 2HD2 ASN 115 2HD2 ASN 115 3.076 15.567 7.900 633 H ILE 116 H ILE 116 3.753 18.348 3.962 634 HA ILE 116 HA ILE 116 2.501 19.860 1.777 635 HB ILE 116 HB ILE 116 3.549 21.029 3.829 636 2HG1 ILE 116 2HG1 ILE 116 3.897 22.929 2.550 637 1HG2 ILE 116 1HG2 ILE 116 6.004 20.077 2.356 638 2HG2 ILE 116 2HG2 ILE 116 6.014 21.527 3.386 639 3HG2 ILE 116 3HG2 ILE 116 5.615 19.941 4.086 640 1HD1 ILE 116 1HD1 ILE 116 5.646 22.789 1.088 641 2HD1 ILE 116 2HD1 ILE 116 5.364 21.060 0.777 642 3HD1 ILE 116 3HD1 ILE 116 4.411 22.287 -0.091 643 H ALA 117 H ALA 117 5.300 17.858 2.824 644 HA ALA 117 HA ALA 117 6.301 17.811 0.103 645 1HB ALA 117 1HB ALA 117 7.428 17.640 2.673 646 2HB ALA 117 2HB ALA 117 7.583 16.001 1.996 647 3HB ALA 117 3HB ALA 117 8.264 17.393 1.121 648 H GLY 118 H GLY 118 3.738 16.413 1.621 649 1HA GLY 118 1HA GLY 118 2.458 14.634 1.103 650 2HA GLY 118 2HA GLY 118 3.497 14.324 -0.274 651 H ILE 119 H ILE 119 4.460 14.469 3.204 652 HA ILE 119 HA ILE 119 5.169 11.626 2.977 653 HB ILE 119 HB ILE 119 6.680 13.984 3.878 654 2HG1 ILE 119 2HG1 ILE 119 7.327 11.258 2.741 655 1HG2 ILE 119 1HG2 ILE 119 7.983 12.659 5.545 656 2HG2 ILE 119 2HG2 ILE 119 6.326 13.056 6.060 657 3HG2 ILE 119 3HG2 ILE 119 6.710 11.416 5.482 658 1HD1 ILE 119 1HD1 ILE 119 7.065 12.414 0.810 659 2HD1 ILE 119 2HD1 ILE 119 6.843 13.943 1.693 660 3HD1 ILE 119 3HD1 ILE 119 8.481 13.382 1.280 661 HA PRO 120 HA PRO 120 2.463 11.100 6.310 662 2HB PRO 120 2HB PRO 120 2.029 8.925 5.695 663 2HG PRO 120 2HG PRO 120 3.621 7.977 4.321 664 2HD PRO 120 2HD PRO 120 4.524 9.868 3.378 665 H SER 121 H SER 121 2.244 11.198 8.561 666 HA SER 121 HA SER 121 4.470 12.309 9.767 667 2HB SER 121 2HB SER 121 2.082 12.666 10.453 668 HG SER 121 HG SER 121 1.541 10.894 12.210 669 H ALA 122 H ALA 122 3.633 9.013 9.114 670 HA ALA 122 HA ALA 122 4.714 7.722 11.335 671 1HB ALA 122 1HB ALA 122 4.646 5.768 9.954 672 2HB ALA 122 2HB ALA 122 3.277 6.786 9.443 673 3HB ALA 122 3HB ALA 122 4.762 6.733 8.462 674 H PHE 123 H PHE 123 6.186 9.341 8.544 675 HA PHE 123 HA PHE 123 8.787 8.240 9.274 676 2HB PHE 123 2HB PHE 123 9.428 9.237 7.076 677 HD1 PHE 123 1HD PHE 123 7.684 6.748 8.262 678 HD2 PHE 123 2HD PHE 123 7.671 9.095 4.727 679 HE1 PHE 123 1HE PHE 123 6.640 4.844 7.002 680 HE2 PHE 123 2HE PHE 123 6.627 7.191 3.467 681 HZ PHE 123 HZ PHE 123 6.124 5.088 4.620 682 H LEU 124 H LEU 124 6.892 11.279 9.118 683 HA LEU 124 HA LEU 124 8.944 13.085 9.484 684 2HB LEU 124 2HB LEU 124 7.210 14.564 10.382 685 HG LEU 124 HG LEU 124 6.140 12.893 8.090 686 1HD1 LEU 124 1HD1 LEU 124 5.226 15.431 9.370 687 2HD1 LEU 124 2HD1 LEU 124 5.099 15.280 7.601 688 3HD1 LEU 124 3HD1 LEU 124 4.286 14.099 8.656 689 1HD2 LEU 124 1HD2 LEU 124 7.071 14.944 6.783 690 2HD2 LEU 124 2HD2 LEU 124 8.106 15.161 8.214 691 3HD2 LEU 124 3HD2 LEU 124 8.175 13.643 7.288 692 H GLU 125 H GLU 125 6.763 11.788 12.093 693 HA GLU 125 HA GLU 125 7.956 12.754 14.226 694 2HB GLU 125 2HB GLU 125 7.015 9.875 13.870 695 2HG GLU 125 2HG GLU 125 8.413 10.726 16.036 696 H LEU 126 H LEU 126 8.998 9.620 12.691 697 HA LEU 126 HA LEU 126 11.084 8.972 14.239 698 2HB LEU 126 2HB LEU 126 12.145 8.324 11.886 699 HG LEU 126 HG LEU 126 9.800 7.110 13.300 700 1HD1 LEU 126 1HD1 LEU 126 9.041 5.918 11.589 701 2HD1 LEU 126 2HD1 LEU 126 10.038 6.924 10.510 702 3HD1 LEU 126 3HD1 LEU 126 10.685 5.395 11.150 703 1HD2 LEU 126 1HD2 LEU 126 11.312 5.283 13.682 704 2HD2 LEU 126 2HD2 LEU 126 12.510 5.976 12.561 705 3HD2 LEU 126 3HD2 LEU 126 12.140 6.805 14.093 706 H LYS 127 H LYS 127 12.931 9.901 14.940 707 HA LYS 127 HA LYS 127 13.591 12.497 14.376 708 2HB LYS 127 2HB LYS 127 15.793 11.931 15.398 709 2HG LYS 127 2HG LYS 127 13.127 11.221 16.561 710 2HD LYS 127 2HD LYS 127 15.565 9.841 17.370 711 2HE LYS 127 2HE LYS 127 14.472 11.966 19.207 712 1HZ LYS 127 1HZ LYS 127 13.936 10.004 20.376 713 2HZ LYS 127 2HZ LYS 127 15.367 9.295 20.034 714 3HZ LYS 127 3HZ LYS 127 15.312 10.580 21.042 715 H LYS 128 H LYS 128 15.546 9.650 13.238 716 HA LYS 128 HA LYS 128 17.119 10.902 11.468 717 2HB LYS 128 2HB LYS 128 15.792 8.192 11.187 718 2HG LYS 128 2HG LYS 128 17.452 9.647 9.327 719 2HD LYS 128 2HD LYS 128 18.788 7.066 10.170 720 2HE LYS 128 2HE LYS 128 19.143 8.790 8.029 721 1HZ LYS 128 1HZ LYS 128 20.665 9.730 10.277 722 2HZ LYS 128 2HZ LYS 128 21.517 9.540 8.896 723 3HZ LYS 128 3HZ LYS 128 20.209 10.519 8.921 724 H GLU 129 H GLU 129 16.399 12.641 10.282 725 HA GLU 129 HA GLU 129 13.909 12.626 9.009 726 2HB GLU 129 2HB GLU 129 15.787 14.472 7.771 727 2HG GLU 129 2HG GLU 129 13.574 14.878 9.838 728 H GLU 130 H GLU 130 13.289 11.648 7.131 729 HA GLU 130 HA GLU 130 15.453 10.795 5.372 730 2HB GLU 130 2HB GLU 130 14.169 8.928 6.335 731 2HG GLU 130 2HG GLU 130 11.690 9.448 4.830 732 H ILE 131 H ILE 131 15.062 13.325 4.863 733 HA ILE 131 HA ILE 131 13.152 13.375 2.632 734 HB ILE 131 HB ILE 131 13.877 15.678 4.445 735 2HG1 ILE 131 2HG1 ILE 131 11.889 15.402 5.610 736 1HG2 ILE 131 1HG2 ILE 131 11.766 16.616 3.255 737 2HG2 ILE 131 2HG2 ILE 131 13.335 16.653 2.417 738 3HG2 ILE 131 3HG2 ILE 131 12.138 15.401 2.010 739 1HD1 ILE 131 1HD1 ILE 131 10.463 13.252 4.518 740 2HD1 ILE 131 2HD1 ILE 131 10.027 14.972 4.383 741 3HD1 ILE 131 3HD1 ILE 131 10.972 14.189 3.094 742 H LYS 132 H LYS 132 15.003 12.503 1.385 743 HA LYS 132 HA LYS 132 16.684 14.724 0.520 744 2HB LYS 132 2HB LYS 132 17.977 12.041 0.822 745 2HG LYS 132 2HG LYS 132 19.589 14.255 1.628 746 2HD LYS 132 2HD LYS 132 19.774 12.034 -0.054 747 2HE LYS 132 2HE LYS 132 19.996 14.609 -1.680 748 1HZ LYS 132 1HZ LYS 132 21.837 13.040 -2.015 749 2HZ LYS 132 2HZ LYS 132 20.770 11.883 -2.448 750 3HZ LYS 132 3HZ LYS 132 20.919 13.237 -3.350 751 H GLN 133 H GLN 133 14.698 14.494 -1.009 752 HA GLN 133 HA GLN 133 15.662 12.956 -3.234 753 2HB GLN 133 2HB GLN 133 12.973 12.347 -3.418 754 2HG GLN 133 2HG GLN 133 15.353 10.956 -3.343 755 1HE2 GLN 133 1HE2 GLN 133 12.602 10.025 -1.279 756 2HE2 GLN 133 2HE2 GLN 133 13.522 9.362 0.029 757 H ARG 134 H ARG 134 14.123 13.442 -5.242 758 HA ARG 134 HA ARG 134 14.165 16.172 -5.568 759 2HB ARG 134 2HB ARG 134 12.382 14.285 -7.169 760 2HG ARG 134 2HG ARG 134 13.422 15.737 -9.053 761 2HD ARG 134 2HD ARG 134 11.862 17.613 -7.342 762 HE ARG 134 HE ARG 134 11.525 18.094 -9.618 763 1HH1 ARG 134 2HH2 ARG 134 10.998 14.663 -9.045 764 2HH1 ARG 134 1HH2 ARG 134 10.353 14.367 -10.625 765 1HH2 ARG 134 2HH1 ARG 134 10.674 17.705 -11.703 766 2HH2 ARG 134 1HH1 ARG 134 10.167 16.110 -12.147 Start of MODEL 6 1 1H SER 24 H SER 24 -8.151 -7.924 -14.790 2 HA SER 24 HA SER 24 -8.637 -7.275 -12.763 3 2HB SER 24 2HB SER 24 -10.392 -8.350 -11.401 4 HG SER 24 HG SER 24 -11.828 -8.741 -13.645 5 H HIS 25 H HIS 25 -7.785 -10.673 -13.366 6 HA HIS 25 HA HIS 25 -6.232 -11.957 -12.485 7 2HB HIS 25 2HB HIS 25 -5.116 -10.326 -10.381 8 HD1 HIS 25 1HD HIS 25 -4.604 -11.358 -14.042 9 HD2 HIS 25 2HD HIS 25 -2.477 -11.036 -10.441 10 HE1 HIS 25 1HE HIS 25 -2.279 -12.305 -14.498 11 H MET 26 H MET 26 -7.477 -9.882 -9.764 12 HA MET 26 HA MET 26 -8.445 -12.361 -8.576 13 2HB MET 26 2HB MET 26 -7.895 -10.930 -6.344 14 2HG MET 26 2HG MET 26 -6.871 -13.174 -7.157 15 1HE MET 26 1HE MET 26 -4.709 -9.799 -8.510 16 2HE MET 26 2HE MET 26 -4.517 -10.356 -6.831 17 3HE MET 26 3HE MET 26 -3.223 -10.644 -8.018 18 H GLN 27 H GLN 27 -10.026 -11.729 -6.615 19 HA GLN 27 HA GLN 27 -11.344 -9.269 -6.846 20 2HB GLN 27 2HB GLN 27 -12.384 -9.970 -8.844 21 2HG GLN 27 2HG GLN 27 -13.498 -12.558 -8.084 22 1HE2 GLN 27 1HE2 GLN 27 -10.417 -12.172 -9.682 23 2HE2 GLN 27 2HE2 GLN 27 -10.964 -12.318 -11.318 24 H LEU 28 H LEU 28 -12.175 -8.890 -4.831 25 HA LEU 28 HA LEU 28 -13.633 -10.852 -3.422 26 2HB LEU 28 2HB LEU 28 -11.709 -11.969 -2.842 27 HG LEU 28 HG LEU 28 -9.657 -10.919 -1.922 28 1HD1 LEU 28 1HD1 LEU 28 -10.011 -9.839 -4.700 29 2HD1 LEU 28 2HD1 LEU 28 -8.623 -10.684 -3.971 30 3HD1 LEU 28 3HD1 LEU 28 -10.090 -11.593 -4.406 31 1HD2 LEU 28 1HD2 LEU 28 -10.947 -8.347 -2.870 32 2HD2 LEU 28 2HD2 LEU 28 -10.487 -8.783 -1.206 33 3HD2 LEU 28 3HD2 LEU 28 -9.229 -8.517 -2.436 34 H LYS 29 H LYS 29 -13.501 -9.878 -0.840 35 HA LYS 29 HA LYS 29 -14.522 -7.194 -1.272 36 2HB LYS 29 2HB LYS 29 -14.764 -9.210 0.963 37 2HG LYS 29 2HG LYS 29 -15.779 -6.328 0.892 38 2HD LYS 29 2HD LYS 29 -16.189 -7.288 3.438 39 2HE LYS 29 2HE LYS 29 -18.015 -7.273 1.002 40 1HZ LYS 29 1HZ LYS 29 -18.824 -8.855 2.632 41 2HZ LYS 29 2HZ LYS 29 -18.766 -7.722 3.807 42 3HZ LYS 29 3HZ LYS 29 -19.798 -7.547 2.553 43 H PHE 30 H PHE 30 -13.856 -5.382 0.071 44 HA PHE 30 HA PHE 30 -11.161 -5.764 1.170 45 2HB PHE 30 2HB PHE 30 -10.582 -4.326 -0.560 46 HD1 PHE 30 1HD PHE 30 -11.638 -5.347 -2.499 47 HD2 PHE 30 2HD PHE 30 -13.636 -2.339 -0.271 48 HE1 PHE 30 1HE PHE 30 -13.281 -5.051 -4.373 49 HE2 PHE 30 2HE PHE 30 -15.280 -2.043 -2.145 50 HZ PHE 30 HZ PHE 30 -15.082 -3.402 -4.173 51 H ALA 31 H ALA 31 -10.667 -3.408 2.386 52 HA ALA 31 HA ALA 31 -12.485 -3.481 4.586 53 1HB ALA 31 1HB ALA 31 -9.894 -2.143 3.877 54 2HB ALA 31 2HB ALA 31 -10.867 -1.444 5.193 55 3HB ALA 31 3HB ALA 31 -10.315 -3.133 5.295 56 H GLU 32 H GLU 32 -12.685 -0.839 5.432 57 HA GLU 32 HA GLU 32 -14.375 0.244 3.318 58 2HB GLU 32 2HB GLU 32 -15.621 -0.428 5.331 59 2HG GLU 32 2HG GLU 32 -13.444 1.139 6.674 60 H CYS 33 H CYS 33 -11.683 0.821 5.536 61 HA CYS 33 HA CYS 33 -11.670 3.612 5.406 62 2HB CYS 33 2HB CYS 33 -9.483 1.594 5.978 63 HG CYS 33 HG CYS 33 -9.643 4.898 6.167 64 H LEU 34 H LEU 34 -11.031 1.117 3.083 65 HA LEU 34 HA LEU 34 -9.065 2.476 1.560 66 2HB LEU 34 2HB LEU 34 -9.400 0.765 -0.050 67 HG LEU 34 HG LEU 34 -10.105 -0.768 2.435 68 1HD1 LEU 34 1HD1 LEU 34 -7.930 -1.951 1.259 69 2HD1 LEU 34 2HD1 LEU 34 -9.630 -2.391 0.971 70 3HD1 LEU 34 3HD1 LEU 34 -8.797 -1.282 -0.144 71 1HD2 LEU 34 1HD2 LEU 34 -8.592 0.942 3.250 72 2HD2 LEU 34 2HD2 LEU 34 -7.757 -0.628 3.181 73 3HD2 LEU 34 3HD2 LEU 34 -7.448 0.601 1.932 74 H GLU 35 H GLU 35 -12.283 3.217 2.242 75 HA GLU 35 HA GLU 35 -12.754 4.309 -0.397 76 2HB GLU 35 2HB GLU 35 -15.047 4.617 0.306 77 2HG GLU 35 2HG GLU 35 -14.586 2.090 1.812 78 H LYS 36 H LYS 36 -10.657 5.350 1.501 79 HA LYS 36 HA LYS 36 -11.800 7.943 2.202 80 2HB LYS 36 2HB LYS 36 -9.423 8.154 3.267 81 2HG LYS 36 2HG LYS 36 -10.573 6.159 4.939 82 2HD LYS 36 2HD LYS 36 -11.657 8.878 5.299 83 2HE LYS 36 2HE LYS 36 -10.199 6.776 6.818 84 1HZ LYS 36 1HZ LYS 36 -9.781 9.635 7.340 85 2HZ LYS 36 2HZ LYS 36 -9.510 8.465 8.447 86 3HZ LYS 36 3HZ LYS 36 -8.631 8.507 7.071 87 H LYS 37 H LYS 37 -10.321 6.385 -0.403 88 HA LYS 37 HA LYS 37 -9.235 7.065 -2.205 89 2HB LYS 37 2HB LYS 37 -9.807 9.411 -2.999 90 2HG LYS 37 2HG LYS 37 -11.364 7.063 -2.823 91 2HD LYS 37 2HD LYS 37 -12.641 9.209 -1.331 92 2HE LYS 37 2HE LYS 37 -14.897 8.699 -2.707 93 1HZ LYS 37 1HZ LYS 37 -12.902 10.761 -2.939 94 2HZ LYS 37 2HZ LYS 37 -14.033 10.733 -4.118 95 3HZ LYS 37 3HZ LYS 37 -14.484 10.880 -2.555 96 H VAL 38 H VAL 38 -7.581 8.796 -3.114 97 HA VAL 38 HA VAL 38 -6.046 10.035 -1.000 98 HB VAL 38 HB VAL 38 -3.991 8.869 -1.586 99 1HG1 VAL 38 1HG1 VAL 38 -5.636 8.045 0.214 100 2HG1 VAL 38 2HG1 VAL 38 -6.042 6.746 -0.935 101 3HG1 VAL 38 3HG1 VAL 38 -4.374 6.915 -0.333 102 1HG2 VAL 38 1HG2 VAL 38 -4.021 6.843 -2.980 103 2HG2 VAL 38 2HG2 VAL 38 -5.742 7.117 -3.345 104 3HG2 VAL 38 3HG2 VAL 38 -4.516 8.280 -3.906 105 H ASP 39 H ASP 39 -3.726 10.579 -2.509 106 HA ASP 39 HA ASP 39 -4.442 11.427 -5.097 107 2HB ASP 39 2HB ASP 39 -3.712 13.792 -3.422 108 H MET 40 H MET 40 -2.435 10.442 -5.705 109 HA MET 40 HA MET 40 -0.096 10.729 -4.247 110 2HB MET 40 2HB MET 40 0.970 9.834 -6.352 111 2HG MET 40 2HG MET 40 -0.730 7.888 -6.730 112 1HE MET 40 1HE MET 40 -0.617 7.891 -2.399 113 2HE MET 40 2HE MET 40 0.403 9.309 -2.740 114 3HE MET 40 3HE MET 40 -1.231 9.201 -3.435 115 H SER 41 H SER 41 -1.713 12.852 -6.536 116 HA SER 41 HA SER 41 0.587 14.256 -7.329 117 2HB SER 41 2HB SER 41 -2.201 15.445 -7.281 118 HG SER 41 HG SER 41 -1.197 15.798 -9.634 119 H LYS 42 H LYS 42 -0.953 13.985 -4.337 120 HA LYS 42 HA LYS 42 -0.060 16.674 -3.557 121 2HB LYS 42 2HB LYS 42 -1.835 16.866 -2.055 122 2HG LYS 42 2HG LYS 42 -3.905 16.147 -3.365 123 2HD LYS 42 2HD LYS 42 -1.735 17.445 -5.075 124 2HE LYS 42 2HE LYS 42 -4.781 17.582 -5.022 125 1HZ LYS 42 1HZ LYS 42 -4.523 19.329 -6.622 126 2HZ LYS 42 2HZ LYS 42 -3.830 19.785 -5.216 127 3HZ LYS 42 3HZ LYS 42 -2.897 19.312 -6.470 128 H VAL 43 H VAL 43 -0.236 13.173 -2.793 129 HA VAL 43 HA VAL 43 1.774 13.645 -0.704 130 HB VAL 43 HB VAL 43 0.262 12.516 0.486 131 1HG1 VAL 43 1HG1 VAL 43 -0.876 11.242 -2.025 132 2HG1 VAL 43 2HG1 VAL 43 -1.603 11.236 -0.400 133 3HG1 VAL 43 3HG1 VAL 43 -1.446 12.765 -1.299 134 1HG2 VAL 43 1HG2 VAL 43 0.449 10.028 0.332 135 2HG2 VAL 43 2HG2 VAL 43 1.370 10.232 -1.177 136 3HG2 VAL 43 3HG2 VAL 43 2.018 10.868 0.354 137 H ASN 44 H ASN 44 3.632 12.214 -0.627 138 HA ASN 44 HA ASN 44 4.428 11.501 -3.284 139 2HB ASN 44 2HB ASN 44 6.539 10.760 -1.674 140 1HD2 ASN 44 1HD2 ASN 44 8.143 12.631 -1.321 141 2HD2 ASN 44 2HD2 ASN 44 8.201 13.840 -2.560 142 H LEU 45 H LEU 45 4.538 9.351 -4.029 143 HA LEU 45 HA LEU 45 3.660 7.304 -2.158 144 2HB LEU 45 2HB LEU 45 2.890 7.879 -4.683 145 HG LEU 45 HG LEU 45 3.541 6.102 -6.174 146 1HD1 LEU 45 1HD1 LEU 45 6.274 6.958 -5.646 147 2HD1 LEU 45 2HD1 LEU 45 5.206 7.307 -7.027 148 3HD1 LEU 45 3HD1 LEU 45 5.114 8.306 -5.556 149 1HD2 LEU 45 1HD2 LEU 45 5.917 5.168 -4.745 150 2HD2 LEU 45 2HD2 LEU 45 4.393 4.765 -3.916 151 3HD2 LEU 45 3HD2 LEU 45 4.653 4.254 -5.602 152 H GLU 46 H GLU 46 6.507 8.493 -3.852 153 HA GLU 46 HA GLU 46 7.974 6.172 -3.940 154 2HB GLU 46 2HB GLU 46 9.751 8.334 -3.341 155 2HG GLU 46 2HG GLU 46 9.954 8.301 -5.929 156 H VAL 47 H VAL 47 7.372 8.485 -1.267 157 HA VAL 47 HA VAL 47 9.321 7.373 0.462 158 HB VAL 47 HB VAL 47 8.109 8.691 2.177 159 1HG1 VAL 47 1HG1 VAL 47 8.293 10.662 -0.001 160 2HG1 VAL 47 2HG1 VAL 47 9.210 10.540 1.520 161 3HG1 VAL 47 3HG1 VAL 47 9.694 9.570 0.109 162 1HG2 VAL 47 1HG2 VAL 47 5.840 8.341 1.012 163 2HG2 VAL 47 2HG2 VAL 47 6.169 9.939 1.724 164 3HG2 VAL 47 3HG2 VAL 47 6.315 9.701 -0.034 165 H ILE 48 H ILE 48 6.525 6.058 -0.849 166 HA ILE 48 HA ILE 48 6.067 4.435 1.556 167 HB ILE 48 HB ILE 48 4.073 4.426 -0.621 168 2HG1 ILE 48 2HG1 ILE 48 3.220 6.545 -0.363 169 1HG2 ILE 48 1HG2 ILE 48 4.075 4.375 2.392 170 2HG2 ILE 48 2HG2 ILE 48 2.581 4.633 1.459 171 3HG2 ILE 48 3HG2 ILE 48 3.517 3.135 1.245 172 1HD1 ILE 48 1HD1 ILE 48 4.758 6.651 2.267 173 2HD1 ILE 48 2HD1 ILE 48 3.965 8.071 1.544 174 3HD1 ILE 48 3HD1 ILE 48 2.992 6.666 2.042 175 H LYS 49 H LYS 49 7.583 4.538 -1.467 176 HA LYS 49 HA LYS 49 6.977 2.058 -2.552 177 2HB LYS 49 2HB LYS 49 9.742 2.758 -2.981 178 2HG LYS 49 2HG LYS 49 8.495 1.671 -4.718 179 2HD LYS 49 2HD LYS 49 6.501 3.452 -5.571 180 2HE LYS 49 2HE LYS 49 6.534 0.842 -4.041 181 1HZ LYS 49 1HZ LYS 49 4.389 0.959 -3.570 182 2HZ LYS 49 2HZ LYS 49 4.513 2.581 -3.723 183 3HZ LYS 49 3HZ LYS 49 3.987 1.679 -4.979 184 HA PRO 50 HA PRO 50 10.408 0.398 0.251 185 2HB PRO 50 2HB PRO 50 12.130 1.832 0.776 186 2HG PRO 50 2HG PRO 50 11.622 4.070 0.554 187 2HD PRO 50 2HD PRO 50 9.908 3.950 -0.973 188 H TRP 51 H TRP 51 7.918 2.344 1.639 189 HA TRP 51 HA TRP 51 7.685 0.746 3.985 190 2HB TRP 51 2HB TRP 51 5.736 2.692 2.739 191 HD1 TRP 51 HD TRP 51 6.439 2.926 6.423 192 HE1 TRP 51 1HE TRP 51 4.409 2.111 7.900 193 HE3 TRP 51 3HE TRP 51 3.838 0.796 2.609 194 HZ2 TRP 51 2HZ TRP 51 1.998 0.699 7.320 195 HZ3 TRP 51 3HZ TRP 51 1.655 -0.281 3.150 196 HH2 TRP 51 HH TRP 51 0.729 -0.350 5.411 197 H ILE 52 H ILE 52 6.138 0.932 0.731 198 HA ILE 52 HA ILE 52 4.258 -1.125 1.331 199 HB ILE 52 HB ILE 52 5.001 0.562 -0.987 200 2HG1 ILE 52 2HG1 ILE 52 2.948 0.480 0.890 201 1HG2 ILE 52 1HG2 ILE 52 3.285 -1.006 -2.286 202 2HG2 ILE 52 2HG2 ILE 52 5.045 -1.264 -2.342 203 3HG2 ILE 52 3HG2 ILE 52 4.036 -2.245 -1.251 204 1HD1 ILE 52 1HD1 ILE 52 2.777 1.808 -1.844 205 2HD1 ILE 52 2HD1 ILE 52 2.105 2.386 -0.301 206 3HD1 ILE 52 3HD1 ILE 52 3.865 2.396 -0.564 207 H THR 53 H THR 53 7.297 -0.922 -0.641 208 HA THR 53 HA THR 53 7.347 -3.601 -1.387 209 HB THR 53 HB THR 53 9.667 -1.668 -0.865 210 HG1 THR 53 1HG THR 53 7.615 -2.100 -2.871 211 1HG2 THR 53 1HG2 THR 53 10.981 -3.211 -1.916 212 2HG2 THR 53 2HG2 THR 53 9.628 -4.363 -1.844 213 3HG2 THR 53 3HG2 THR 53 9.823 -3.308 -3.263 214 H LYS 54 H LYS 54 8.528 -1.979 1.592 215 HA LYS 54 HA LYS 54 9.768 -4.341 2.568 216 2HB LYS 54 2HB LYS 54 8.947 -1.796 3.998 217 2HG LYS 54 2HG LYS 54 11.272 -3.461 4.863 218 2HD LYS 54 2HD LYS 54 9.023 -2.403 6.593 219 2HE LYS 54 2HE LYS 54 11.880 -1.978 7.287 220 1HZ LYS 54 1HZ LYS 54 10.763 -1.852 9.167 221 2HZ LYS 54 2HZ LYS 54 9.401 -2.484 8.523 222 3HZ LYS 54 3HZ LYS 54 10.552 -3.471 9.130 223 H ARG 55 H ARG 55 6.563 -2.755 2.948 224 HA ARG 55 HA ARG 55 5.679 -4.370 4.995 225 2HB ARG 55 2HB ARG 55 3.362 -3.789 3.601 226 2HG ARG 55 2HG ARG 55 3.331 -1.643 4.900 227 2HD ARG 55 2HD ARG 55 3.985 -4.303 6.046 228 HE ARG 55 HE ARG 55 4.840 -1.869 7.473 229 1HH1 ARG 55 2HH2 ARG 55 3.846 -5.233 7.751 230 2HH1 ARG 55 1HH2 ARG 55 4.565 -5.450 9.311 231 1HH2 ARG 55 2HH1 ARG 55 5.790 -2.155 9.532 232 2HH2 ARG 55 1HH1 ARG 55 5.679 -3.688 10.331 233 H VAL 56 H VAL 56 5.287 -4.650 1.393 234 HA VAL 56 HA VAL 56 3.784 -7.000 1.442 235 HB VAL 56 HB VAL 56 4.406 -7.171 -0.907 236 1HG1 VAL 56 1HG1 VAL 56 3.718 -4.823 -1.608 237 2HG1 VAL 56 2HG1 VAL 56 2.632 -5.655 -0.469 238 3HG1 VAL 56 3HG1 VAL 56 3.748 -4.399 0.121 239 1HG2 VAL 56 1HG2 VAL 56 6.369 -4.927 -0.324 240 2HG2 VAL 56 2HG2 VAL 56 6.786 -6.610 -0.730 241 3HG2 VAL 56 3HG2 VAL 56 5.975 -5.578 -1.933 242 H THR 57 H THR 57 7.344 -6.400 1.260 243 HA THR 57 HA THR 57 8.066 -9.097 0.972 244 HB THR 57 HB THR 57 9.546 -6.690 2.159 245 HG1 THR 57 1HG THR 57 8.760 -6.463 -0.057 246 1HG2 THR 57 1HG2 THR 57 11.572 -7.862 1.775 247 2HG2 THR 57 2HG2 THR 57 10.529 -9.141 2.443 248 3HG2 THR 57 3HG2 THR 57 10.793 -9.036 0.686 249 H GLU 58 H GLU 58 7.374 -7.080 3.853 250 HA GLU 58 HA GLU 58 8.277 -9.092 5.620 251 2HB GLU 58 2HB GLU 58 6.796 -7.554 7.244 252 2HG GLU 58 2HG GLU 58 9.076 -6.001 6.132 253 H ILE 59 H ILE 59 5.234 -8.285 3.987 254 HA ILE 59 HA ILE 59 3.462 -9.616 5.660 255 HB ILE 59 HB ILE 59 3.489 -8.870 2.759 256 2HG1 ILE 59 2HG1 ILE 59 3.065 -7.320 4.845 257 1HG2 ILE 59 1HG2 ILE 59 1.993 -10.421 2.226 258 2HG2 ILE 59 2HG2 ILE 59 1.908 -10.998 3.907 259 3HG2 ILE 59 3HG2 ILE 59 0.867 -9.658 3.374 260 1HD1 ILE 59 1HD1 ILE 59 1.950 -7.433 2.116 261 2HD1 ILE 59 2HD1 ILE 59 0.944 -6.486 3.239 262 3HD1 ILE 59 3HD1 ILE 59 2.653 -6.056 2.998 263 H LEU 60 H LEU 60 5.425 -10.797 2.861 264 HA LEU 60 HA LEU 60 4.596 -13.512 3.563 265 2HB LEU 60 2HB LEU 60 4.490 -13.844 1.395 266 HG LEU 60 HG LEU 60 4.305 -11.178 1.355 267 1HD1 LEU 60 1HD1 LEU 60 5.914 -10.140 -0.104 268 2HD1 LEU 60 2HD1 LEU 60 6.770 -10.884 1.269 269 3HD1 LEU 60 3HD1 LEU 60 6.777 -11.682 -0.322 270 1HD2 LEU 60 1HD2 LEU 60 4.494 -13.132 -0.929 271 2HD2 LEU 60 2HD2 LEU 60 3.053 -12.401 -0.181 272 3HD2 LEU 60 3HD2 LEU 60 4.122 -11.414 -1.206 273 H GLY 61 H GLY 61 7.500 -11.438 2.972 274 1HA GLY 61 1HA GLY 61 9.209 -11.742 4.754 275 2HA GLY 61 2HA GLY 61 9.091 -13.461 4.434 276 H PHE 62 H PHE 62 8.539 -12.362 1.428 277 HA PHE 62 HA PHE 62 11.388 -12.001 0.822 278 2HB PHE 62 2HB PHE 62 10.842 -14.244 0.128 279 HD1 PHE 62 1HD PHE 62 9.017 -15.393 1.104 280 HD2 PHE 62 2HD PHE 62 8.322 -12.645 -2.053 281 HE1 PHE 62 1HE PHE 62 6.657 -16.221 0.904 282 HE2 PHE 62 2HE PHE 62 5.960 -13.473 -2.254 283 HZ PHE 62 HZ PHE 62 5.155 -15.252 -0.773 284 H GLU 63 H GLU 63 11.854 -10.761 -1.128 285 HA GLU 63 HA GLU 63 10.046 -8.625 -1.416 286 2HB GLU 63 2HB GLU 63 12.347 -9.151 -3.312 287 2HG GLU 63 2HG GLU 63 10.622 -6.965 -2.805 288 H ASP 64 H ASP 64 8.165 -8.759 -2.560 289 HA ASP 64 HA ASP 64 7.848 -10.761 -4.524 290 2HB ASP 64 2HB ASP 64 5.588 -9.912 -4.730 291 H ASP 65 H ASP 65 6.137 -9.069 -6.338 292 HA ASP 65 HA ASP 65 7.772 -7.008 -7.348 293 2HB ASP 65 2HB ASP 65 7.537 -8.688 -9.640 294 H VAL 66 H VAL 66 5.320 -9.574 -8.141 295 HA VAL 66 HA VAL 66 3.868 -8.006 -9.964 296 HB VAL 66 HB VAL 66 3.942 -10.615 -9.219 297 1HG1 VAL 66 1HG1 VAL 66 1.379 -9.457 -8.076 298 2HG1 VAL 66 2HG1 VAL 66 1.661 -11.189 -8.381 299 3HG1 VAL 66 3HG1 VAL 66 2.660 -10.320 -7.192 300 1HG2 VAL 66 1HG2 VAL 66 1.616 -9.288 -10.651 301 2HG2 VAL 66 2HG2 VAL 66 3.200 -9.638 -11.385 302 3HG2 VAL 66 3HG2 VAL 66 2.164 -10.972 -10.826 303 H VAL 67 H VAL 67 3.623 -8.565 -6.413 304 HA VAL 67 HA VAL 67 1.235 -7.059 -6.152 305 HB VAL 67 HB VAL 67 1.361 -7.599 -3.948 306 1HG1 VAL 67 1HG1 VAL 67 2.004 -9.829 -3.757 307 2HG1 VAL 67 2HG1 VAL 67 1.812 -9.629 -5.515 308 3HG1 VAL 67 3HG1 VAL 67 3.438 -9.613 -4.790 309 1HG2 VAL 67 1HG2 VAL 67 3.225 -6.272 -3.277 310 2HG2 VAL 67 2HG2 VAL 67 3.546 -7.927 -2.708 311 3HG2 VAL 67 3HG2 VAL 67 4.371 -7.309 -4.159 312 H ILE 68 H ILE 68 4.759 -6.375 -5.796 313 HA ILE 68 HA ILE 68 4.444 -3.780 -4.807 314 HB ILE 68 HB ILE 68 6.684 -5.098 -6.341 315 2HG1 ILE 68 2HG1 ILE 68 5.828 -5.899 -3.977 316 1HG2 ILE 68 1HG2 ILE 68 7.499 -2.897 -4.654 317 2HG2 ILE 68 2HG2 ILE 68 7.824 -3.195 -6.379 318 3HG2 ILE 68 3HG2 ILE 68 6.335 -2.353 -5.886 319 1HD1 ILE 68 1HD1 ILE 68 7.902 -6.882 -3.718 320 2HD1 ILE 68 2HD1 ILE 68 8.119 -6.268 -5.374 321 3HD1 ILE 68 3HD1 ILE 68 8.776 -5.357 -3.993 322 H GLU 69 H GLU 69 4.842 -5.058 -8.171 323 HA GLU 69 HA GLU 69 4.905 -2.623 -9.421 324 2HB GLU 69 2HB GLU 69 3.543 -4.330 -11.192 325 2HG GLU 69 2HG GLU 69 6.464 -4.776 -11.018 326 H PHE 70 H PHE 70 2.109 -4.639 -8.373 327 HA PHE 70 HA PHE 70 0.108 -3.222 -9.644 328 2HB PHE 70 2HB PHE 70 -0.990 -4.050 -7.232 329 HD1 PHE 70 1HD PHE 70 0.036 -7.167 -7.757 330 HD2 PHE 70 2HD PHE 70 -1.886 -4.090 -9.957 331 HE1 PHE 70 1HE PHE 70 -1.024 -8.891 -9.241 332 HE2 PHE 70 2HE PHE 70 -2.946 -5.814 -11.442 333 HZ PHE 70 HZ PHE 70 -2.501 -8.194 -11.067 334 H ILE 71 H ILE 71 1.615 -2.723 -6.387 335 HA ILE 71 HA ILE 71 -0.076 -0.523 -5.781 336 HB ILE 71 HB ILE 71 2.513 -1.477 -4.553 337 2HG1 ILE 71 2HG1 ILE 71 -0.084 -2.614 -4.547 338 1HG2 ILE 71 1HG2 ILE 71 0.913 0.906 -4.071 339 2HG2 ILE 71 2HG2 ILE 71 1.048 -0.118 -2.622 340 3HG2 ILE 71 3HG2 ILE 71 2.518 0.454 -3.448 341 1HD1 ILE 71 1HD1 ILE 71 1.794 -3.397 -2.388 342 2HD1 ILE 71 2HD1 ILE 71 1.087 -4.381 -3.692 343 3HD1 ILE 71 3HD1 ILE 71 2.519 -3.373 -4.014 344 H PHE 72 H PHE 72 3.278 -0.924 -7.053 345 HA PHE 72 HA PHE 72 3.906 1.792 -7.054 346 2HB PHE 72 2HB PHE 72 4.907 0.008 -9.261 347 HD1 PHE 72 1HD PHE 72 5.306 2.941 -8.381 348 HD2 PHE 72 2HD PHE 72 7.467 -0.625 -7.589 349 HE1 PHE 72 1HE PHE 72 7.400 4.283 -8.049 350 HE2 PHE 72 2HE PHE 72 9.561 0.718 -7.257 351 HZ PHE 72 HZ PHE 72 9.503 3.155 -7.490 352 H ASN 73 H ASN 73 2.551 -0.356 -9.646 353 HA ASN 73 HA ASN 73 2.497 1.617 -11.581 354 2HB ASN 73 2HB ASN 73 0.511 0.045 -12.457 355 1HD2 ASN 73 1HD2 ASN 73 3.386 -1.425 -10.982 356 2HD2 ASN 73 2HD2 ASN 73 4.261 -1.728 -12.447 357 H GLN 74 H GLN 74 0.180 0.558 -9.033 358 HA GLN 74 HA GLN 74 -1.938 2.151 -9.984 359 2HB GLN 74 2HB GLN 74 -2.721 1.704 -7.477 360 2HG GLN 74 2HG GLN 74 -3.869 0.519 -9.176 361 1HE2 GLN 74 1HE2 GLN 74 -2.300 -2.328 -9.280 362 2HE2 GLN 74 2HE2 GLN 74 -1.498 -2.235 -10.813 363 H LEU 75 H LEU 75 0.690 2.555 -7.565 364 HA LEU 75 HA LEU 75 -0.343 5.072 -6.664 365 2HB LEU 75 2HB LEU 75 1.892 5.141 -5.480 366 HG LEU 75 HG LEU 75 0.333 2.593 -4.975 367 1HD1 LEU 75 1HD1 LEU 75 2.381 2.544 -3.770 368 2HD1 LEU 75 2HD1 LEU 75 2.203 4.242 -3.263 369 3HD1 LEU 75 3HD1 LEU 75 1.107 2.999 -2.613 370 1HD2 LEU 75 1HD2 LEU 75 -0.489 5.360 -4.717 371 2HD2 LEU 75 2HD2 LEU 75 -1.427 3.863 -4.498 372 3HD2 LEU 75 3HD2 LEU 75 -0.492 4.533 -3.140 373 H GLU 76 H GLU 76 1.149 4.023 -9.502 374 HA GLU 76 HA GLU 76 2.870 6.261 -9.832 375 2HB GLU 76 2HB GLU 76 2.615 5.258 -12.350 376 2HG GLU 76 2HG GLU 76 4.182 3.344 -10.851 377 H VAL 77 H VAL 77 -0.453 5.977 -9.752 378 HA VAL 77 HA VAL 77 -0.836 7.969 -11.871 379 HB VAL 77 HB VAL 77 -3.079 7.276 -11.989 380 1HG1 VAL 77 1HG1 VAL 77 -2.863 4.714 -12.188 381 2HG1 VAL 77 2HG1 VAL 77 -1.786 5.721 -13.184 382 3HG1 VAL 77 3HG1 VAL 77 -1.168 4.952 -11.702 383 1HG2 VAL 77 1HG2 VAL 77 -2.835 6.756 -9.242 384 2HG2 VAL 77 2HG2 VAL 77 -4.288 6.562 -10.252 385 3HG2 VAL 77 3HG2 VAL 77 -3.198 5.179 -9.984 386 H LYS 78 H LYS 78 -3.149 9.209 -11.012 387 HA LYS 78 HA LYS 78 -2.143 10.606 -8.650 388 2HB LYS 78 2HB LYS 78 -3.649 12.426 -9.385 389 2HG LYS 78 2HG LYS 78 -1.201 11.860 -10.356 390 2HD LYS 78 2HD LYS 78 -2.655 12.173 -12.967 391 2HE LYS 78 2HE LYS 78 -0.365 10.292 -12.586 392 1HZ LYS 78 1HZ LYS 78 0.302 11.328 -14.574 393 2HZ LYS 78 2HZ LYS 78 -1.304 11.072 -14.716 394 3HZ LYS 78 3HZ LYS 78 -0.741 12.571 -14.396 395 H ASN 79 H ASN 79 -4.593 8.392 -9.771 396 HA ASN 79 HA ASN 79 -5.811 8.608 -7.147 397 2HB ASN 79 2HB ASN 79 -7.841 7.827 -9.056 398 1HD2 ASN 79 1HD2 ASN 79 -6.705 11.026 -7.998 399 2HD2 ASN 79 2HD2 ASN 79 -7.985 11.359 -6.879 400 HA PRO 80 HA PRO 80 -4.806 4.323 -8.174 401 2HB PRO 80 2HB PRO 80 -2.898 4.202 -6.891 402 2HG PRO 80 2HG PRO 80 -2.585 5.982 -5.459 403 2HD PRO 80 2HD PRO 80 -3.814 7.597 -6.540 404 H ASP 81 H ASP 81 -5.807 2.290 -7.837 405 HA ASP 81 HA ASP 81 -8.376 2.742 -6.592 406 2HB ASP 81 2HB ASP 81 -7.339 0.428 -8.297 407 H SER 82 H SER 82 -8.292 2.258 -4.376 408 HA SER 82 HA SER 82 -6.415 0.552 -3.271 409 2HB SER 82 2HB SER 82 -7.577 2.308 -1.988 410 HG SER 82 HG SER 82 -9.893 0.575 -2.197 411 H LYS 83 H LYS 83 -9.718 0.042 -4.544 412 HA LYS 83 HA LYS 83 -10.217 -2.445 -3.408 413 2HB LYS 83 2HB LYS 83 -11.740 -2.689 -5.456 414 2HG LYS 83 2HG LYS 83 -11.964 -1.189 -3.099 415 2HD LYS 83 2HD LYS 83 -13.276 0.472 -5.258 416 2HE LYS 83 2HE LYS 83 -12.193 1.865 -2.938 417 1HZ LYS 83 1HZ LYS 83 -14.871 1.320 -4.000 418 2HZ LYS 83 2HZ LYS 83 -14.627 2.243 -2.675 419 3HZ LYS 83 3HZ LYS 83 -14.011 2.703 -4.116 420 H MET 84 H MET 84 -8.649 -1.553 -6.553 421 HA MET 84 HA MET 84 -8.188 -4.210 -7.274 422 2HB MET 84 2HB MET 84 -6.190 -2.455 -8.415 423 2HG MET 84 2HG MET 84 -7.964 -2.522 -10.373 424 1HE MET 84 1HE MET 84 -6.655 -5.988 -8.174 425 2HE MET 84 2HE MET 84 -8.329 -5.631 -8.660 426 3HE MET 84 3HE MET 84 -7.363 -6.801 -9.591 427 H MET 85 H MET 85 -6.352 -1.821 -5.347 428 HA MET 85 HA MET 85 -3.910 -3.122 -5.412 429 2HB MET 85 2HB MET 85 -4.616 -1.782 -2.847 430 2HG MET 85 2HG MET 85 -2.631 -1.274 -5.109 431 1HE MET 85 1HE MET 85 -4.078 1.820 -4.746 432 2HE MET 85 2HE MET 85 -2.355 2.166 -5.027 433 3HE MET 85 3HE MET 85 -3.103 0.723 -5.753 434 H GLN 86 H GLN 86 -6.620 -3.293 -2.998 435 HA GLN 86 HA GLN 86 -5.308 -5.186 -1.412 436 2HB GLN 86 2HB GLN 86 -8.259 -5.243 -1.300 437 2HG GLN 86 2HG GLN 86 -6.532 -3.991 0.812 438 1HE2 GLN 86 1HE2 GLN 86 -8.224 -7.074 0.294 439 2HE2 GLN 86 2HE2 GLN 86 -9.473 -6.845 1.474 440 H ILE 87 H ILE 87 -7.462 -5.374 -4.250 441 HA ILE 87 HA ILE 87 -8.025 -8.136 -3.974 442 HB ILE 87 HB ILE 87 -8.427 -6.012 -6.011 443 2HG1 ILE 87 2HG1 ILE 87 -9.961 -7.056 -4.013 444 1HG2 ILE 87 1HG2 ILE 87 -9.210 -7.599 -7.689 445 2HG2 ILE 87 2HG2 ILE 87 -7.481 -7.839 -7.345 446 3HG2 ILE 87 3HG2 ILE 87 -8.687 -8.960 -6.669 447 1HD1 ILE 87 1HD1 ILE 87 -11.677 -6.279 -6.221 448 2HD1 ILE 87 2HD1 ILE 87 -11.275 -5.367 -4.746 449 3HD1 ILE 87 3HD1 ILE 87 -10.237 -5.234 -6.186 450 H ASN 88 H ASN 88 -5.463 -6.193 -5.549 451 HA ASN 88 HA ASN 88 -4.409 -8.363 -6.977 452 2HB ASN 88 2HB ASN 88 -2.283 -6.738 -6.883 453 1HD2 ASN 88 1HD2 ASN 88 -3.718 -4.179 -7.751 454 2HD2 ASN 88 2HD2 ASN 88 -4.309 -4.517 -9.344 455 H LEU 89 H LEU 89 -3.695 -6.730 -3.823 456 HA LEU 89 HA LEU 89 -1.393 -8.161 -3.191 457 2HB LEU 89 2HB LEU 89 -2.128 -7.536 -0.800 458 HG LEU 89 HG LEU 89 -2.019 -5.166 -2.667 459 1HD1 LEU 89 1HD1 LEU 89 -1.991 -4.060 -0.741 460 2HD1 LEU 89 2HD1 LEU 89 -1.853 -5.567 0.197 461 3HD1 LEU 89 3HD1 LEU 89 -0.389 -4.773 -0.430 462 1HD2 LEU 89 1HD2 LEU 89 0.581 -5.522 -2.082 463 2HD2 LEU 89 2HD2 LEU 89 0.059 -7.222 -2.155 464 3HD2 LEU 89 3HD2 LEU 89 -0.190 -6.154 -3.557 465 H THR 90 H THR 90 -4.885 -8.820 -2.552 466 HA THR 90 HA THR 90 -4.498 -11.095 -0.982 467 HB THR 90 HB THR 90 -6.789 -10.436 -2.906 468 HG1 THR 90 1HG THR 90 -7.415 -9.048 -1.191 469 1HG2 THR 90 1HG2 THR 90 -6.382 -12.492 -0.876 470 2HG2 THR 90 2HG2 THR 90 -7.643 -11.357 -0.337 471 3HG2 THR 90 3HG2 THR 90 -7.816 -12.207 -1.891 472 H GLY 91 H GLY 91 -4.000 -10.567 -4.399 473 1HA GLY 91 1HA GLY 91 -4.367 -13.263 -5.239 474 2HA GLY 91 2HA GLY 91 -3.546 -11.978 -6.102 475 H PHE 92 H PHE 92 -1.912 -11.624 -3.383 476 HA PHE 92 HA PHE 92 -0.099 -13.875 -3.902 477 2HB PHE 92 2HB PHE 92 1.271 -11.565 -2.837 478 HD1 PHE 92 1HD PHE 92 3.420 -11.878 -3.577 479 HD2 PHE 92 2HD PHE 92 0.227 -12.700 -6.247 480 HE1 PHE 92 1HE PHE 92 5.070 -12.551 -5.342 481 HE2 PHE 92 2HE PHE 92 1.878 -13.373 -8.014 482 HZ PHE 92 HZ PHE 92 4.280 -13.291 -7.540 483 H LEU 93 H LEU 93 -1.124 -11.313 -1.547 484 HA LEU 93 HA LEU 93 0.183 -12.498 0.640 485 2HB LEU 93 2HB LEU 93 -0.927 -10.898 1.954 486 HG LEU 93 HG LEU 93 -0.997 -9.410 -0.656 487 1HD1 LEU 93 1HD1 LEU 93 -1.499 -8.454 1.714 488 2HD1 LEU 93 2HD1 LEU 93 0.271 -8.490 1.906 489 3HD1 LEU 93 3HD1 LEU 93 -0.462 -7.540 0.592 490 1HD2 LEU 93 1HD2 LEU 93 1.297 -10.891 0.426 491 2HD2 LEU 93 2HD2 LEU 93 1.023 -10.206 -1.194 492 3HD2 LEU 93 3HD2 LEU 93 1.620 -9.167 0.122 493 H ASN 94 H ASN 94 -1.846 -12.648 2.635 494 HA ASN 94 HA ASN 94 -2.910 -15.218 1.885 495 2HB ASN 94 2HB ASN 94 -3.580 -15.187 4.419 496 1HD2 ASN 94 1HD2 ASN 94 -0.445 -13.744 4.400 497 2HD2 ASN 94 2HD2 ASN 94 0.513 -15.187 4.424 498 H GLY 95 H GLY 95 -3.821 -11.903 2.027 499 1HA GLY 95 1HA GLY 95 -5.979 -11.340 1.119 500 2HA GLY 95 2HA GLY 95 -6.686 -12.631 2.068 501 H LYS 96 H LYS 96 -5.823 -12.396 4.603 502 HA LYS 96 HA LYS 96 -7.176 -10.117 5.528 503 2HB LYS 96 2HB LYS 96 -6.112 -10.919 7.761 504 2HG LYS 96 2HG LYS 96 -8.390 -11.648 6.343 505 2HD LYS 96 2HD LYS 96 -7.490 -14.277 7.436 506 2HE LYS 96 2HE LYS 96 -9.142 -13.287 5.076 507 1HZ LYS 96 1HZ LYS 96 -8.938 -15.256 4.141 508 2HZ LYS 96 2HZ LYS 96 -7.697 -15.598 5.146 509 3HZ LYS 96 3HZ LYS 96 -9.215 -16.058 5.536 510 H ASN 97 H ASN 97 -3.734 -10.890 4.935 511 HA ASN 97 HA ASN 97 -2.702 -8.727 6.325 512 2HB ASN 97 2HB ASN 97 -0.969 -9.197 4.133 513 1HD2 ASN 97 1HD2 ASN 97 -0.535 -8.074 6.412 514 2HD2 ASN 97 2HD2 ASN 97 0.371 -9.045 7.525 515 H ALA 98 H ALA 98 -4.121 -9.160 3.078 516 HA ALA 98 HA ALA 98 -3.123 -6.817 1.897 517 1HB ALA 98 1HB ALA 98 -4.210 -8.877 0.816 518 2HB ALA 98 2HB ALA 98 -5.772 -8.163 1.283 519 3HB ALA 98 3HB ALA 98 -4.692 -7.289 0.170 520 H ARG 99 H ARG 99 -6.008 -7.555 3.916 521 HA ARG 99 HA ARG 99 -7.175 -5.050 3.528 522 2HB ARG 99 2HB ARG 99 -7.966 -6.077 6.085 523 2HG ARG 99 2HG ARG 99 -9.124 -6.273 3.272 524 2HD ARG 99 2HD ARG 99 -11.276 -6.902 4.405 525 HE ARG 99 HE ARG 99 -9.019 -8.680 4.109 526 1HH1 ARG 99 2HH2 ARG 99 -12.264 -8.530 5.464 527 2HH1 ARG 99 1HH2 ARG 99 -12.532 -10.238 5.339 528 1HH2 ARG 99 2HH1 ARG 99 -9.372 -10.932 3.946 529 2HH2 ARG 99 1HH1 ARG 99 -10.876 -11.612 4.471 530 H GLU 100 H GLU 100 -4.915 -6.439 5.965 531 HA GLU 100 HA GLU 100 -5.015 -4.156 7.624 532 2HB GLU 100 2HB GLU 100 -2.928 -5.264 8.650 533 2HG GLU 100 2HG GLU 100 -5.233 -7.218 8.343 534 H PHE 101 H PHE 101 -2.946 -5.304 4.930 535 HA PHE 101 HA PHE 101 -0.890 -3.443 5.266 536 2HB PHE 101 2HB PHE 101 -2.122 -5.000 2.928 537 HD1 PHE 101 1HD PHE 101 -2.056 -3.139 1.293 538 HD2 PHE 101 2HD PHE 101 1.450 -4.492 3.261 539 HE1 PHE 101 1HE PHE 101 -0.644 -1.978 -0.427 540 HE2 PHE 101 2HE PHE 101 2.863 -3.333 1.541 541 HZ PHE 101 HZ PHE 101 1.800 -2.089 -0.281 542 H MET 102 H MET 102 -3.865 -3.393 3.185 543 HA MET 102 HA MET 102 -3.288 -0.895 2.093 544 2HB MET 102 2HB MET 102 -5.993 -1.067 1.828 545 2HG MET 102 2HG MET 102 -5.645 -2.523 -0.145 546 1HE MET 102 1HE MET 102 -6.246 -0.582 -1.139 547 2HE MET 102 2HE MET 102 -5.835 0.721 0.002 548 3HE MET 102 3HE MET 102 -5.219 0.772 -1.668 549 H GLY 103 H GLY 103 -4.934 -1.944 5.077 550 1HA GLY 103 1HA GLY 103 -6.093 0.632 5.629 551 2HA GLY 103 2HA GLY 103 -6.036 -0.769 6.680 552 H GLU 104 H GLU 104 -2.943 -0.043 5.316 553 HA GLU 104 HA GLU 104 -2.272 1.524 7.680 554 2HB GLU 104 2HB GLU 104 0.040 0.221 7.395 555 2HG GLU 104 2HG GLU 104 -1.935 -1.641 8.564 556 H LEU 105 H LEU 105 -1.877 0.805 4.239 557 HA LEU 105 HA LEU 105 0.127 2.912 3.994 558 2HB LEU 105 2HB LEU 105 -0.412 0.441 2.655 559 HG LEU 105 HG LEU 105 0.132 1.190 0.346 560 1HD1 LEU 105 1HD1 LEU 105 -2.005 0.870 -0.178 561 2HD1 LEU 105 2HD1 LEU 105 -2.354 0.920 1.568 562 3HD1 LEU 105 3HD1 LEU 105 -2.501 2.398 0.588 563 1HD2 LEU 105 1HD2 LEU 105 -1.068 3.846 0.644 564 2HD2 LEU 105 2HD2 LEU 105 0.499 3.675 1.470 565 3HD2 LEU 105 3HD2 LEU 105 0.368 3.324 -0.270 566 H TRP 106 H TRP 106 -3.237 2.024 3.134 567 HA TRP 106 HA TRP 106 -3.737 4.122 1.379 568 2HB TRP 106 2HB TRP 106 -5.783 2.979 3.265 569 HD1 TRP 106 HD TRP 106 -7.952 4.265 2.598 570 HE1 TRP 106 1HE TRP 106 -9.133 5.162 0.416 571 HE3 TRP 106 3HE TRP 106 -4.225 2.939 -0.595 572 HZ2 TRP 106 2HZ TRP 106 -8.393 5.215 -2.339 573 HZ3 TRP 106 3HZ TRP 106 -4.532 3.450 -3.015 574 HH2 TRP 106 HH TRP 106 -6.528 4.547 -3.902 575 HA PRO 107 HA PRO 107 -4.806 6.477 5.374 576 2HB PRO 107 2HB PRO 107 -5.482 5.223 7.182 577 2HG PRO 107 2HG PRO 107 -4.856 3.005 7.105 578 2HD PRO 107 2HD PRO 107 -4.609 2.730 4.836 579 H LEU 108 H LEU 108 -1.721 4.959 5.057 580 HA LEU 108 HA LEU 108 -0.207 6.896 6.356 581 2HB LEU 108 2HB LEU 108 1.010 5.661 3.989 582 HG LEU 108 HG LEU 108 1.853 6.394 6.578 583 1HD1 LEU 108 1HD1 LEU 108 2.317 3.432 6.226 584 2HD1 LEU 108 2HD1 LEU 108 2.660 4.459 7.639 585 3HD1 LEU 108 3HD1 LEU 108 0.977 4.080 7.203 586 1HD2 LEU 108 1HD2 LEU 108 3.610 4.709 4.859 587 2HD2 LEU 108 2HD2 LEU 108 2.971 6.220 4.169 588 3HD2 LEU 108 3HD2 LEU 108 3.933 6.263 5.665 589 H LEU 109 H LEU 109 -1.443 6.681 2.978 590 HA LEU 109 HA LEU 109 -0.104 9.052 2.168 591 2HB LEU 109 2HB LEU 109 -1.224 8.774 0.117 592 HG LEU 109 HG LEU 109 -0.616 6.104 1.372 593 1HD1 LEU 109 1HD1 LEU 109 -0.850 5.138 -0.952 594 2HD1 LEU 109 2HD1 LEU 109 -2.372 5.525 -0.111 595 3HD1 LEU 109 3HD1 LEU 109 -1.756 6.609 -1.383 596 1HD2 LEU 109 1HD2 LEU 109 0.718 7.389 -1.005 597 2HD2 LEU 109 2HD2 LEU 109 1.163 7.817 0.664 598 3HD2 LEU 109 3HD2 LEU 109 1.342 6.139 0.097 599 H LEU 110 H LEU 110 -3.228 8.248 3.669 600 HA LEU 110 HA LEU 110 -4.618 10.557 3.104 601 2HB LEU 110 2HB LEU 110 -5.524 9.979 5.558 602 HG LEU 110 HG LEU 110 -7.168 9.545 4.061 603 1HD1 LEU 110 1HD1 LEU 110 -6.697 7.995 2.004 604 2HD1 LEU 110 2HD1 LEU 110 -6.150 9.689 2.003 605 3HD1 LEU 110 3HD1 LEU 110 -4.996 8.380 2.355 606 1HD2 LEU 110 1HD2 LEU 110 -6.317 6.671 4.083 607 2HD2 LEU 110 2HD2 LEU 110 -6.716 7.485 5.615 608 3HD2 LEU 110 3HD2 LEU 110 -7.929 7.389 4.316 609 H SER 111 H SER 111 -2.177 9.880 5.672 610 HA SER 111 HA SER 111 -2.484 12.491 6.746 611 2HB SER 111 2HB SER 111 -0.495 10.238 7.226 612 HG SER 111 HG SER 111 -0.745 12.729 8.687 613 H ALA 112 H ALA 112 -0.396 10.828 4.385 614 HA ALA 112 HA ALA 112 1.671 12.717 4.306 615 1HB ALA 112 1HB ALA 112 2.245 11.620 2.198 616 2HB ALA 112 2HB ALA 112 1.753 10.396 3.393 617 3HB ALA 112 3HB ALA 112 0.626 10.888 2.106 618 H GLN 113 H GLN 113 -1.410 12.369 2.435 619 HA GLN 113 HA GLN 113 -0.928 14.528 0.770 620 2HB GLN 113 2HB GLN 113 -2.640 12.840 0.285 621 2HG GLN 113 2HG GLN 113 -3.961 13.970 2.789 622 1HE2 GLN 113 1HE2 GLN 113 -4.446 11.345 0.432 623 2HE2 GLN 113 2HE2 GLN 113 -6.138 11.599 0.163 624 H GLU 114 H GLU 114 -1.486 14.425 4.145 625 HA GLU 114 HA GLU 114 -2.774 17.007 4.181 626 2HB GLU 114 2HB GLU 114 -2.764 16.621 6.694 627 2HG GLU 114 2HG GLU 114 -4.015 14.132 5.948 628 H ASN 115 H ASN 115 0.347 15.805 3.863 629 HA ASN 115 HA ASN 115 1.551 17.777 5.579 630 2HB ASN 115 2HB ASN 115 3.459 16.453 3.833 631 1HD2 ASN 115 1HD2 ASN 115 1.789 15.508 6.832 632 2HD2 ASN 115 2HD2 ASN 115 3.119 15.760 7.914 633 H ILE 116 H ILE 116 3.881 18.356 3.956 634 HA ILE 116 HA ILE 116 2.629 19.899 1.794 635 HB ILE 116 HB ILE 116 3.740 21.011 3.861 636 2HG1 ILE 116 2HG1 ILE 116 4.102 22.944 2.602 637 1HG2 ILE 116 1HG2 ILE 116 5.810 19.883 3.988 638 2HG2 ILE 116 2HG2 ILE 116 6.144 20.131 2.257 639 3HG2 ILE 116 3HG2 ILE 116 6.179 21.514 3.377 640 1HD1 ILE 116 1HD1 ILE 116 4.567 21.331 0.071 641 2HD1 ILE 116 2HD1 ILE 116 4.936 23.045 0.378 642 3HD1 ILE 116 3HD1 ILE 116 5.915 21.771 1.146 643 H ALA 117 H ALA 117 5.462 17.903 2.790 644 HA ALA 117 HA ALA 117 6.418 17.856 0.061 645 1HB ALA 117 1HB ALA 117 8.248 17.864 1.441 646 2HB ALA 117 2HB ALA 117 7.384 17.051 2.768 647 3HB ALA 117 3HB ALA 117 7.992 16.103 1.389 648 H GLY 118 H GLY 118 3.863 16.449 1.615 649 1HA GLY 118 1HA GLY 118 2.541 14.717 1.034 650 2HA GLY 118 2HA GLY 118 3.599 14.385 -0.323 651 H ILE 119 H ILE 119 4.574 14.534 3.144 652 HA ILE 119 HA ILE 119 5.165 11.661 2.958 653 HB ILE 119 HB ILE 119 6.775 13.975 3.840 654 2HG1 ILE 119 2HG1 ILE 119 7.336 11.252 2.643 655 1HG2 ILE 119 1HG2 ILE 119 6.616 11.415 5.427 656 2HG2 ILE 119 2HG2 ILE 119 8.097 12.402 5.373 657 3HG2 ILE 119 3HG2 ILE 119 6.585 13.099 6.003 658 1HD1 ILE 119 1HD1 ILE 119 6.549 13.691 1.503 659 2HD1 ILE 119 2HD1 ILE 119 8.319 13.684 1.318 660 3HD1 ILE 119 3HD1 ILE 119 7.349 12.347 0.653 661 HA PRO 120 HA PRO 120 2.487 11.320 6.339 662 2HB PRO 120 2HB PRO 120 1.930 9.162 5.760 663 2HG PRO 120 2HG PRO 120 3.446 8.117 4.370 664 2HD PRO 120 2HD PRO 120 4.428 9.949 3.387 665 H SER 121 H SER 121 2.305 11.172 8.657 666 HA SER 121 HA SER 121 4.551 12.332 9.816 667 2HB SER 121 2HB SER 121 2.160 12.602 10.579 668 HG SER 121 HG SER 121 1.155 10.728 10.927 669 H ALA 122 H ALA 122 3.777 9.055 9.053 670 HA ALA 122 HA ALA 122 4.901 7.678 11.188 671 1HB ALA 122 1HB ALA 122 3.555 6.566 9.522 672 2HB ALA 122 2HB ALA 122 4.673 7.043 8.221 673 3HB ALA 122 3HB ALA 122 5.189 5.863 9.450 674 H PHE 123 H PHE 123 6.343 9.478 8.486 675 HA PHE 123 HA PHE 123 8.972 8.432 9.194 676 2HB PHE 123 2HB PHE 123 9.592 9.614 7.058 677 HD1 PHE 123 1HD PHE 123 7.664 9.456 4.741 678 HD2 PHE 123 2HD PHE 123 8.300 6.874 8.048 679 HE1 PHE 123 1HE PHE 123 6.822 7.516 3.388 680 HE2 PHE 123 2HE PHE 123 7.458 4.934 6.696 681 HZ PHE 123 HZ PHE 123 6.729 5.279 4.382 682 H LEU 124 H LEU 124 7.023 11.455 9.054 683 HA LEU 124 HA LEU 124 9.028 13.267 9.584 684 2HB LEU 124 2HB LEU 124 7.262 14.720 10.379 685 HG LEU 124 HG LEU 124 6.367 12.980 8.070 686 1HD1 LEU 124 1HD1 LEU 124 4.827 14.879 9.563 687 2HD1 LEU 124 2HD1 LEU 124 5.138 15.529 7.936 688 3HD1 LEU 124 3HD1 LEU 124 4.368 13.936 8.125 689 1HD2 LEU 124 1HD2 LEU 124 6.992 15.567 7.201 690 2HD2 LEU 124 2HD2 LEU 124 8.278 15.133 8.351 691 3HD2 LEU 124 3HD2 LEU 124 7.940 14.080 6.956 692 H GLU 125 H GLU 125 6.732 11.902 12.054 693 HA GLU 125 HA GLU 125 8.073 12.816 14.222 694 2HB GLU 125 2HB GLU 125 6.542 10.190 13.959 695 2HG GLU 125 2HG GLU 125 7.986 10.724 16.111 696 H LEU 126 H LEU 126 8.445 9.575 12.618 697 HA LEU 126 HA LEU 126 10.262 8.408 14.203 698 2HB LEU 126 2HB LEU 126 11.258 7.769 11.752 699 HG LEU 126 HG LEU 126 8.689 6.765 13.003 700 1HD1 LEU 126 1HD1 LEU 126 8.319 5.339 11.319 701 2HD1 LEU 126 2HD1 LEU 126 9.337 6.439 10.359 702 3HD1 LEU 126 3HD1 LEU 126 10.051 4.988 11.103 703 1HD2 LEU 126 1HD2 LEU 126 11.444 6.377 13.633 704 2HD2 LEU 126 2HD2 LEU 126 10.008 5.652 14.392 705 3HD2 LEU 126 3HD2 LEU 126 10.788 4.845 13.011 706 H LYS 127 H LYS 127 11.113 10.689 11.503 707 HA LYS 127 HA LYS 127 12.795 12.109 11.287 708 2HB LYS 127 2HB LYS 127 14.199 12.280 13.667 709 2HG LYS 127 2HG LYS 127 12.562 14.228 14.092 710 2HD LYS 127 2HD LYS 127 13.217 14.707 11.298 711 2HE LYS 127 2HE LYS 127 14.661 15.548 13.855 712 1HZ LYS 127 1HZ LYS 127 15.203 17.443 12.462 713 2HZ LYS 127 2HZ LYS 127 15.819 16.062 11.841 714 3HZ LYS 127 3HZ LYS 127 14.490 16.737 11.172 715 H LYS 128 H LYS 128 14.119 9.697 13.665 716 HA LYS 128 HA LYS 128 16.585 9.471 12.494 717 2HB LYS 128 2HB LYS 128 16.208 6.984 13.547 718 2HG LYS 128 2HG LYS 128 17.062 9.652 14.539 719 2HD LYS 128 2HD LYS 128 16.051 7.478 16.408 720 2HE LYS 128 2HE LYS 128 18.564 8.896 16.621 721 1HZ LYS 128 1HZ LYS 128 16.953 9.426 18.958 722 2HZ LYS 128 2HZ LYS 128 18.239 10.245 18.372 723 3HZ LYS 128 3HZ LYS 128 16.767 10.444 17.695 724 H GLU 129 H GLU 129 17.478 8.360 10.782 725 HA GLU 129 HA GLU 129 15.725 6.529 9.382 726 2HB GLU 129 2HB GLU 129 17.278 8.630 7.835 727 2HG GLU 129 2HG GLU 129 16.242 6.417 6.840 728 H GLU 130 H GLU 130 17.077 4.817 10.147 729 HA GLU 130 HA GLU 130 19.856 4.938 9.932 730 2HB GLU 130 2HB GLU 130 18.764 3.419 11.502 731 2HG GLU 130 2HG GLU 130 17.672 2.069 8.989 732 H ILE 131 H ILE 131 21.294 4.222 8.331 733 HA ILE 131 HA ILE 131 20.010 3.322 5.845 734 HB ILE 131 HB ILE 131 22.321 5.210 6.271 735 2HG1 ILE 131 2HG1 ILE 131 20.949 6.785 5.022 736 1HG2 ILE 131 1HG2 ILE 131 23.114 3.918 4.506 737 2HG2 ILE 131 2HG2 ILE 131 21.490 3.674 3.818 738 3HG2 ILE 131 3HG2 ILE 131 22.282 5.263 3.690 739 1HD1 ILE 131 1HD1 ILE 131 18.950 6.272 4.001 740 2HD1 ILE 131 2HD1 ILE 131 19.668 4.645 3.931 741 3HD1 ILE 131 3HD1 ILE 131 18.518 5.057 5.227 742 H LYS 132 H LYS 132 20.348 1.161 5.712 743 HA LYS 132 HA LYS 132 22.320 -0.223 7.045 744 2HB LYS 132 2HB LYS 132 21.451 -1.359 4.458 745 2HG LYS 132 2HG LYS 132 22.112 -2.198 7.142 746 2HD LYS 132 2HD LYS 132 19.495 -2.024 7.281 747 2HE LYS 132 2HE LYS 132 19.291 -4.742 6.180 748 1HZ LYS 132 1HZ LYS 132 17.386 -3.518 6.699 749 2HZ LYS 132 2HZ LYS 132 17.856 -2.208 5.845 750 3HZ LYS 132 3HZ LYS 132 17.415 -3.575 5.067 751 H GLN 133 H GLN 133 24.333 -1.179 6.366 752 HA GLN 133 HA GLN 133 25.703 0.576 4.535 753 2HB GLN 133 2HB GLN 133 27.102 -1.661 5.981 754 2HG GLN 133 2HG GLN 133 27.669 1.172 5.091 755 1HE2 GLN 133 1HE2 GLN 133 29.765 -1.225 6.583 756 2HE2 GLN 133 2HE2 GLN 133 30.327 -0.261 7.909 757 H ARG 134 H ARG 134 27.116 -0.294 2.806 758 HA ARG 134 HA ARG 134 25.811 -1.999 1.166 759 2HB ARG 134 2HB ARG 134 28.842 -1.919 1.118 760 2HG ARG 134 2HG ARG 134 26.741 -1.424 -1.042 761 2HD ARG 134 2HD ARG 134 29.493 -0.873 -1.023 762 HE ARG 134 HE ARG 134 29.148 -3.400 -2.594 763 1HH1 ARG 134 2HH2 ARG 134 30.937 -1.469 -0.260 764 2HH1 ARG 134 1HH2 ARG 134 32.281 -2.560 -0.196 765 1HH2 ARG 134 2HH1 ARG 134 30.921 -4.840 -2.510 766 2HH2 ARG 134 1HH1 ARG 134 32.272 -4.490 -1.484 Start of MODEL 7 1 1H SER 24 H SER 24 -10.002 -7.289 -13.553 2 HA SER 24 HA SER 24 -8.396 -7.689 -11.907 3 2HB SER 24 2HB SER 24 -9.788 -8.089 -9.931 4 HG SER 24 HG SER 24 -10.235 -6.101 -11.064 5 H HIS 25 H HIS 25 -6.757 -9.153 -11.626 6 HA HIS 25 HA HIS 25 -6.721 -11.700 -12.459 7 2HB HIS 25 2HB HIS 25 -4.990 -11.982 -10.493 8 HD1 HIS 25 1HD HIS 25 -5.636 -10.708 -13.781 9 HD2 HIS 25 2HD HIS 25 -2.339 -10.626 -11.191 10 HE1 HIS 25 1HE HIS 25 -3.599 -10.210 -15.234 11 H MET 26 H MET 26 -7.476 -10.663 -9.055 12 HA MET 26 HA MET 26 -9.248 -12.939 -8.902 13 2HB MET 26 2HB MET 26 -7.242 -13.896 -7.945 14 2HG MET 26 2HG MET 26 -6.284 -12.412 -5.874 15 1HE MET 26 1HE MET 26 -4.410 -10.420 -6.686 16 2HE MET 26 2HE MET 26 -3.317 -10.743 -8.053 17 3HE MET 26 3HE MET 26 -4.902 -9.986 -8.341 18 H GLN 27 H GLN 27 -11.183 -12.111 -8.255 19 HA GLN 27 HA GLN 27 -11.212 -9.590 -6.925 20 2HB GLN 27 2HB GLN 27 -13.580 -11.409 -7.527 21 2HG GLN 27 2HG GLN 27 -13.223 -8.666 -6.519 22 1HE2 GLN 27 1HE2 GLN 27 -13.960 -6.799 -7.278 23 2HE2 GLN 27 2HE2 GLN 27 -14.705 -6.545 -8.821 24 H LEU 28 H LEU 28 -12.242 -9.173 -4.833 25 HA LEU 28 HA LEU 28 -13.054 -11.313 -3.178 26 2HB LEU 28 2HB LEU 28 -10.822 -11.956 -2.975 27 HG LEU 28 HG LEU 28 -8.998 -10.463 -2.216 28 1HD1 LEU 28 1HD1 LEU 28 -8.310 -9.907 -4.338 29 2HD1 LEU 28 2HD1 LEU 28 -9.589 -11.093 -4.694 30 3HD1 LEU 28 3HD1 LEU 28 -9.925 -9.351 -4.839 31 1HD2 LEU 28 1HD2 LEU 28 -10.707 -8.122 -3.060 32 2HD2 LEU 28 2HD2 LEU 28 -10.606 -8.674 -1.371 33 3HD2 LEU 28 3HD2 LEU 28 -9.141 -8.116 -2.214 34 H LYS 29 H LYS 29 -12.629 -10.152 -0.660 35 HA LYS 29 HA LYS 29 -14.136 -7.667 -1.016 36 2HB LYS 29 2HB LYS 29 -14.027 -9.662 1.259 37 2HG LYS 29 2HG LYS 29 -15.753 -7.160 1.080 38 2HD LYS 29 2HD LYS 29 -15.437 -7.840 3.734 39 2HE LYS 29 2HE LYS 29 -17.562 -9.226 2.073 40 1HZ LYS 29 1HZ LYS 29 -17.600 -7.702 4.587 41 2HZ LYS 29 2HZ LYS 29 -18.890 -8.439 3.906 42 3HZ LYS 29 3HZ LYS 29 -17.641 -9.331 4.464 43 H PHE 30 H PHE 30 -13.545 -5.767 0.129 44 HA PHE 30 HA PHE 30 -10.842 -5.897 1.268 45 2HB PHE 30 2HB PHE 30 -10.459 -4.596 -0.646 46 HD1 PHE 30 1HD PHE 30 -11.744 -5.520 -2.474 47 HD2 PHE 30 2HD PHE 30 -13.402 -2.517 0.025 48 HE1 PHE 30 1HE PHE 30 -13.581 -5.145 -4.143 49 HE2 PHE 30 2HE PHE 30 -15.238 -2.142 -1.645 50 HZ PHE 30 HZ PHE 30 -15.306 -3.460 -3.708 51 H ALA 31 H ALA 31 -10.622 -3.318 2.254 52 HA ALA 31 HA ALA 31 -12.511 -3.447 4.447 53 1HB ALA 31 1HB ALA 31 -10.218 -3.200 5.071 54 2HB ALA 31 2HB ALA 31 -9.961 -1.895 3.889 55 3HB ALA 31 3HB ALA 31 -10.967 -1.606 5.328 56 H GLU 32 H GLU 32 -12.764 -0.809 5.228 57 HA GLU 32 HA GLU 32 -14.303 0.241 2.992 58 2HB GLU 32 2HB GLU 32 -15.531 1.526 4.834 59 2HG GLU 32 2HG GLU 32 -15.838 -1.319 5.627 60 H CYS 33 H CYS 33 -11.802 0.942 5.436 61 HA CYS 33 HA CYS 33 -11.690 3.680 5.192 62 2HB CYS 33 2HB CYS 33 -10.478 2.510 6.931 63 HG CYS 33 HG CYS 33 -8.925 0.691 6.821 64 H LEU 34 H LEU 34 -10.980 1.136 2.918 65 HA LEU 34 HA LEU 34 -9.011 2.460 1.399 66 2HB LEU 34 2HB LEU 34 -9.397 0.761 -0.230 67 HG LEU 34 HG LEU 34 -10.079 -0.766 2.262 68 1HD1 LEU 34 1HD1 LEU 34 -9.612 -1.765 -0.073 69 2HD1 LEU 34 2HD1 LEU 34 -7.910 -1.369 0.264 70 3HD1 LEU 34 3HD1 LEU 34 -8.795 -2.475 1.341 71 1HD2 LEU 34 1HD2 LEU 34 -7.381 0.514 1.747 72 2HD2 LEU 34 2HD2 LEU 34 -8.541 1.000 3.006 73 3HD2 LEU 34 3HD2 LEU 34 -7.789 -0.612 3.064 74 H GLU 35 H GLU 35 -12.278 3.191 1.994 75 HA GLU 35 HA GLU 35 -12.647 4.339 -0.633 76 2HB GLU 35 2HB GLU 35 -14.960 4.663 0.010 77 2HG GLU 35 2HG GLU 35 -14.538 2.091 1.460 78 H LYS 36 H LYS 36 -10.656 5.306 1.492 79 HA LYS 36 HA LYS 36 -11.787 7.889 2.181 80 2HB LYS 36 2HB LYS 36 -9.436 8.100 3.269 81 2HG LYS 36 2HG LYS 36 -10.491 5.995 4.849 82 2HD LYS 36 2HD LYS 36 -11.520 8.836 5.034 83 2HE LYS 36 2HE LYS 36 -10.360 6.916 7.109 84 1HZ LYS 36 1HZ LYS 36 -10.293 9.166 7.792 85 2HZ LYS 36 2HZ LYS 36 -11.824 9.455 7.299 86 3HZ LYS 36 3HZ LYS 36 -11.548 8.467 8.570 87 H LYS 37 H LYS 37 -10.302 6.432 -0.477 88 HA LYS 37 HA LYS 37 -9.225 7.180 -2.256 89 2HB LYS 37 2HB LYS 37 -9.819 9.546 -2.973 90 2HG LYS 37 2HG LYS 37 -11.354 7.181 -2.873 91 2HD LYS 37 2HD LYS 37 -12.655 9.287 -1.325 92 2HE LYS 37 2HE LYS 37 -14.877 8.537 -2.803 93 1HZ LYS 37 1HZ LYS 37 -13.339 10.951 -3.403 94 2HZ LYS 37 2HZ LYS 37 -14.961 10.771 -3.351 95 3HZ LYS 37 3HZ LYS 37 -14.093 10.762 -1.968 96 H VAL 38 H VAL 38 -7.594 8.967 -3.110 97 HA VAL 38 HA VAL 38 -6.073 10.170 -0.974 98 HB VAL 38 HB VAL 38 -4.034 9.008 -1.438 99 1HG1 VAL 38 1HG1 VAL 38 -5.639 8.017 0.203 100 2HG1 VAL 38 2HG1 VAL 38 -6.221 6.933 -1.083 101 3HG1 VAL 38 3HG1 VAL 38 -4.533 6.829 -0.527 102 1HG2 VAL 38 1HG2 VAL 38 -5.350 7.015 -3.248 103 2HG2 VAL 38 2HG2 VAL 38 -4.837 8.579 -3.924 104 3HG2 VAL 38 3HG2 VAL 38 -3.645 7.512 -3.143 105 H ASP 39 H ASP 39 -3.691 10.471 -2.676 106 HA ASP 39 HA ASP 39 -4.422 11.423 -5.179 107 2HB ASP 39 2HB ASP 39 -3.669 13.775 -3.480 108 H MET 40 H MET 40 -2.427 10.392 -5.771 109 HA MET 40 HA MET 40 -0.084 10.640 -4.330 110 2HB MET 40 2HB MET 40 0.967 9.771 -6.456 111 2HG MET 40 2HG MET 40 -0.710 7.832 -6.844 112 1HE MET 40 1HE MET 40 -0.734 7.812 -2.499 113 2HE MET 40 2HE MET 40 0.215 9.281 -2.830 114 3HE MET 40 3HE MET 40 -1.394 9.077 -3.564 115 H SER 41 H SER 41 -1.659 12.812 -6.613 116 HA SER 41 HA SER 41 0.679 14.203 -7.338 117 2HB SER 41 2HB SER 41 -2.124 15.368 -7.382 118 HG SER 41 HG SER 41 -1.270 16.687 -8.840 119 H LYS 42 H LYS 42 -0.964 13.925 -4.402 120 HA LYS 42 HA LYS 42 -0.097 16.610 -3.582 121 2HB LYS 42 2HB LYS 42 -1.917 16.788 -2.131 122 2HG LYS 42 2HG LYS 42 -3.944 16.085 -3.501 123 2HD LYS 42 2HD LYS 42 -1.932 17.236 -5.431 124 2HE LYS 42 2HE LYS 42 -4.755 17.189 -5.191 125 1HZ LYS 42 1HZ LYS 42 -3.584 19.750 -4.406 126 2HZ LYS 42 2HZ LYS 42 -5.023 19.684 -5.175 127 3HZ LYS 42 3HZ LYS 42 -4.837 18.955 -3.726 128 H VAL 43 H VAL 43 -0.266 13.105 -2.853 129 HA VAL 43 HA VAL 43 1.669 13.574 -0.695 130 HB VAL 43 HB VAL 43 0.136 12.417 0.438 131 1HG1 VAL 43 1HG1 VAL 43 -0.921 11.187 -2.132 132 2HG1 VAL 43 2HG1 VAL 43 -1.688 11.122 -0.526 133 3HG1 VAL 43 3HG1 VAL 43 -1.531 12.679 -1.375 134 1HG2 VAL 43 1HG2 VAL 43 0.437 10.015 0.435 135 2HG2 VAL 43 2HG2 VAL 43 1.111 10.061 -1.211 136 3HG2 VAL 43 3HG2 VAL 43 2.008 10.797 0.138 137 H ASN 44 H ASN 44 3.537 12.160 -0.571 138 HA ASN 44 HA ASN 44 4.418 11.470 -3.211 139 2HB ASN 44 2HB ASN 44 6.516 10.780 -1.596 140 1HD2 ASN 44 1HD2 ASN 44 8.040 12.696 -1.130 141 2HD2 ASN 44 2HD2 ASN 44 8.069 13.959 -2.315 142 H LEU 45 H LEU 45 4.406 9.338 -3.969 143 HA LEU 45 HA LEU 45 3.598 7.275 -2.096 144 2HB LEU 45 2HB LEU 45 2.814 7.853 -4.617 145 HG LEU 45 HG LEU 45 3.468 6.081 -6.114 146 1HD1 LEU 45 1HD1 LEU 45 5.051 7.383 -6.961 147 2HD1 LEU 45 2HD1 LEU 45 5.098 8.268 -5.418 148 3HD1 LEU 45 3HD1 LEU 45 6.199 6.897 -5.691 149 1HD2 LEU 45 1HD2 LEU 45 5.857 5.158 -4.704 150 2HD2 LEU 45 2HD2 LEU 45 4.344 4.749 -3.860 151 3HD2 LEU 45 3HD2 LEU 45 4.588 4.238 -5.547 152 H GLU 46 H GLU 46 6.432 8.493 -3.785 153 HA GLU 46 HA GLU 46 7.912 6.177 -3.888 154 2HB GLU 46 2HB GLU 46 9.675 8.355 -3.301 155 2HG GLU 46 2HG GLU 46 9.655 8.307 -5.989 156 H VAL 47 H VAL 47 7.295 8.482 -1.213 157 HA VAL 47 HA VAL 47 9.268 7.400 0.507 158 HB VAL 47 HB VAL 47 8.000 8.682 2.233 159 1HG1 VAL 47 1HG1 VAL 47 9.649 9.578 0.218 160 2HG1 VAL 47 2HG1 VAL 47 8.256 10.678 0.088 161 3HG1 VAL 47 3HG1 VAL 47 9.132 10.529 1.630 162 1HG2 VAL 47 1HG2 VAL 47 5.891 9.335 1.916 163 2HG2 VAL 47 2HG2 VAL 47 6.340 10.200 0.427 164 3HG2 VAL 47 3HG2 VAL 47 5.895 8.478 0.356 165 H ILE 48 H ILE 48 6.454 6.067 -0.777 166 HA ILE 48 HA ILE 48 6.064 4.412 1.617 167 HB ILE 48 HB ILE 48 4.018 4.395 -0.505 168 2HG1 ILE 48 2HG1 ILE 48 3.050 6.503 -0.012 169 1HG2 ILE 48 1HG2 ILE 48 2.536 4.082 1.277 170 2HG2 ILE 48 2HG2 ILE 48 4.002 3.199 1.764 171 3HG2 ILE 48 3HG2 ILE 48 3.655 4.800 2.459 172 1HD1 ILE 48 1HD1 ILE 48 3.444 6.776 2.346 173 2HD1 ILE 48 2HD1 ILE 48 5.209 6.689 2.128 174 3HD1 ILE 48 3HD1 ILE 48 4.309 8.110 1.546 175 H LYS 49 H LYS 49 7.548 4.558 -1.407 176 HA LYS 49 HA LYS 49 6.928 2.102 -2.537 177 2HB LYS 49 2HB LYS 49 9.698 2.821 -2.950 178 2HG LYS 49 2HG LYS 49 8.493 1.730 -4.705 179 2HD LYS 49 2HD LYS 49 6.443 3.443 -5.548 180 2HE LYS 49 2HE LYS 49 6.582 0.830 -4.044 181 1HZ LYS 49 1HZ LYS 49 4.665 1.782 -3.117 182 2HZ LYS 49 2HZ LYS 49 4.157 2.404 -4.539 183 3HZ LYS 49 3HZ LYS 49 4.132 0.789 -4.299 184 HA PRO 50 HA PRO 50 10.368 0.378 0.217 185 2HB PRO 50 2HB PRO 50 12.098 1.797 0.760 186 2HG PRO 50 2HG PRO 50 11.596 4.041 0.582 187 2HD PRO 50 2HD PRO 50 9.873 3.954 -0.938 188 H TRP 51 H TRP 51 7.887 2.303 1.649 189 HA TRP 51 HA TRP 51 7.662 0.684 3.977 190 2HB TRP 51 2HB TRP 51 5.686 2.608 2.739 191 HD1 TRP 51 HD TRP 51 6.428 2.798 6.429 192 HE1 TRP 51 1HE TRP 51 4.407 1.972 7.911 193 HE3 TRP 51 3HE TRP 51 3.776 0.754 2.603 194 HZ2 TRP 51 2HZ TRP 51 1.980 0.589 7.329 195 HZ3 TRP 51 3HZ TRP 51 1.591 -0.315 3.146 196 HH2 TRP 51 HH TRP 51 0.685 -0.418 5.414 197 H ILE 52 H ILE 52 6.073 0.890 0.739 198 HA ILE 52 HA ILE 52 4.235 -1.203 1.327 199 HB ILE 52 HB ILE 52 4.927 0.539 -0.954 200 2HG1 ILE 52 2HG1 ILE 52 2.828 0.247 0.882 201 1HG2 ILE 52 1HG2 ILE 52 5.189 -1.617 -2.037 202 2HG2 ILE 52 2HG2 ILE 52 3.628 -2.165 -1.382 203 3HG2 ILE 52 3HG2 ILE 52 3.678 -0.841 -2.569 204 1HD1 ILE 52 1HD1 ILE 52 3.595 1.966 -1.411 205 2HD1 ILE 52 2HD1 ILE 52 1.846 1.926 -1.081 206 3HD1 ILE 52 3HD1 ILE 52 2.983 2.421 0.197 207 H THR 53 H THR 53 7.274 -0.948 -0.639 208 HA THR 53 HA THR 53 7.353 -3.621 -1.413 209 HB THR 53 HB THR 53 9.631 -1.640 -0.878 210 HG1 THR 53 1HG THR 53 9.017 -0.905 -2.947 211 1HG2 THR 53 1HG2 THR 53 9.866 -4.304 -1.628 212 2HG2 THR 53 2HG2 THR 53 9.681 -3.500 -3.205 213 3HG2 THR 53 3HG2 THR 53 11.004 -3.024 -2.113 214 H LYS 54 H LYS 54 8.504 -2.014 1.585 215 HA LYS 54 HA LYS 54 9.770 -4.373 2.540 216 2HB LYS 54 2HB LYS 54 8.929 -1.836 3.974 217 2HG LYS 54 2HG LYS 54 11.236 -3.498 4.882 218 2HD LYS 54 2HD LYS 54 8.950 -2.478 6.582 219 2HE LYS 54 2HE LYS 54 11.373 -3.694 7.163 220 1HZ LYS 54 1HZ LYS 54 11.683 -0.782 7.276 221 2HZ LYS 54 2HZ LYS 54 12.577 -1.793 8.196 222 3HZ LYS 54 3HZ LYS 54 12.676 -1.867 6.567 223 H ARG 55 H ARG 55 6.540 -2.845 2.882 224 HA ARG 55 HA ARG 55 5.667 -4.475 4.932 225 2HB ARG 55 2HB ARG 55 3.350 -3.913 3.534 226 2HG ARG 55 2HG ARG 55 3.282 -1.780 4.842 227 2HD ARG 55 2HD ARG 55 3.962 -4.431 5.966 228 HE ARG 55 HE ARG 55 5.220 -2.229 7.242 229 1HH1 ARG 55 2HH2 ARG 55 2.987 -4.822 8.065 230 2HH1 ARG 55 1HH2 ARG 55 3.475 -4.888 9.725 231 1HH2 ARG 55 2HH1 ARG 55 5.864 -2.317 9.433 232 2HH2 ARG 55 1HH1 ARG 55 5.123 -3.454 10.508 233 H VAL 56 H VAL 56 5.319 -4.742 1.326 234 HA VAL 56 HA VAL 56 3.838 -7.111 1.354 235 HB VAL 56 HB VAL 56 4.485 -7.261 -0.995 236 1HG1 VAL 56 1HG1 VAL 56 3.710 -4.967 -1.703 237 2HG1 VAL 56 2HG1 VAL 56 2.671 -5.778 -0.506 238 3HG1 VAL 56 3HG1 VAL 56 3.783 -4.488 0.010 239 1HG2 VAL 56 1HG2 VAL 56 6.392 -4.979 -0.375 240 2HG2 VAL 56 2HG2 VAL 56 6.846 -6.646 -0.806 241 3HG2 VAL 56 3HG2 VAL 56 6.019 -5.613 -1.996 242 H THR 57 H THR 57 7.390 -6.458 1.201 243 HA THR 57 HA THR 57 8.164 -9.131 0.882 244 HB THR 57 HB THR 57 9.592 -6.748 2.179 245 HG1 THR 57 1HG THR 57 9.308 -6.142 0.057 246 1HG2 THR 57 1HG2 THR 57 11.472 -8.176 0.773 247 2HG2 THR 57 2HG2 THR 57 11.203 -8.383 2.521 248 3HG2 THR 57 3HG2 THR 57 10.445 -9.504 1.364 249 H GLU 58 H GLU 58 7.476 -7.172 3.818 250 HA GLU 58 HA GLU 58 8.334 -9.241 5.533 251 2HB GLU 58 2HB GLU 58 6.887 -7.746 7.202 252 2HG GLU 58 2HG GLU 58 9.138 -6.161 6.048 253 H ILE 59 H ILE 59 5.321 -8.390 3.879 254 HA ILE 59 HA ILE 59 3.504 -9.708 5.501 255 HB ILE 59 HB ILE 59 3.626 -8.910 2.629 256 2HG1 ILE 59 2HG1 ILE 59 3.032 -7.441 4.704 257 1HG2 ILE 59 1HG2 ILE 59 2.392 -10.713 2.069 258 2HG2 ILE 59 2HG2 ILE 59 1.874 -11.022 3.743 259 3HG2 ILE 59 3HG2 ILE 59 1.068 -9.760 2.781 260 1HD1 ILE 59 1HD1 ILE 59 2.593 -6.203 2.835 261 2HD1 ILE 59 2HD1 ILE 59 1.893 -7.594 1.970 262 3HD1 ILE 59 3HD1 ILE 59 0.899 -6.669 3.121 263 H LEU 60 H LEU 60 5.515 -10.925 2.749 264 HA LEU 60 HA LEU 60 4.664 -13.628 3.469 265 2HB LEU 60 2HB LEU 60 4.600 -14.009 1.306 266 HG LEU 60 HG LEU 60 4.363 -11.335 1.253 267 1HD1 LEU 60 1HD1 LEU 60 6.839 -11.042 1.097 268 2HD1 LEU 60 2HD1 LEU 60 6.781 -11.825 -0.502 269 3HD1 LEU 60 3HD1 LEU 60 5.925 -10.288 -0.231 270 1HD2 LEU 60 1HD2 LEU 60 3.323 -13.092 -0.230 271 2HD2 LEU 60 2HD2 LEU 60 3.666 -11.527 -1.007 272 3HD2 LEU 60 3HD2 LEU 60 4.738 -12.918 -1.296 273 H GLY 61 H GLY 61 7.581 -11.576 2.875 274 1HA GLY 61 1HA GLY 61 9.262 -11.890 4.702 275 2HA GLY 61 2HA GLY 61 9.161 -13.602 4.342 276 H PHE 62 H PHE 62 8.636 -12.391 1.358 277 HA PHE 62 HA PHE 62 11.485 -11.979 0.797 278 2HB PHE 62 2HB PHE 62 11.031 -14.231 0.074 279 HD1 PHE 62 1HD PHE 62 9.205 -15.378 1.098 280 HD2 PHE 62 2HD PHE 62 8.507 -12.788 -2.190 281 HE1 PHE 62 1HE PHE 62 6.878 -16.293 0.872 282 HE2 PHE 62 2HE PHE 62 6.180 -13.703 -2.417 283 HZ PHE 62 HZ PHE 62 5.394 -15.444 -0.883 284 H GLU 63 H GLU 63 11.942 -10.701 -1.127 285 HA GLU 63 HA GLU 63 10.093 -8.612 -1.420 286 2HB GLU 63 2HB GLU 63 12.572 -9.271 -3.074 287 2HG GLU 63 2HG GLU 63 11.981 -6.450 -2.683 288 H ASP 64 H ASP 64 8.206 -8.774 -2.551 289 HA ASP 64 HA ASP 64 7.852 -10.790 -4.469 290 2HB ASP 64 2HB ASP 64 5.623 -9.978 -4.636 291 H ASP 65 H ASP 65 6.204 -9.034 -6.330 292 HA ASP 65 HA ASP 65 7.916 -7.097 -7.411 293 2HB ASP 65 2HB ASP 65 7.678 -8.872 -9.637 294 H VAL 66 H VAL 66 5.359 -9.596 -8.005 295 HA VAL 66 HA VAL 66 3.987 -8.030 -9.941 296 HB VAL 66 HB VAL 66 4.047 -10.645 -9.250 297 1HG1 VAL 66 1HG1 VAL 66 1.776 -11.245 -8.411 298 2HG1 VAL 66 2HG1 VAL 66 2.773 -10.390 -7.209 299 3HG1 VAL 66 3HG1 VAL 66 1.483 -9.521 -8.076 300 1HG2 VAL 66 1HG2 VAL 66 1.659 -9.368 -10.614 301 2HG2 VAL 66 2HG2 VAL 66 3.258 -9.533 -11.378 302 3HG2 VAL 66 3HG2 VAL 66 2.348 -10.985 -10.897 303 H VAL 67 H VAL 67 3.737 -8.583 -6.396 304 HA VAL 67 HA VAL 67 1.323 -7.114 -6.142 305 HB VAL 67 HB VAL 67 1.443 -7.669 -3.949 306 1HG1 VAL 67 1HG1 VAL 67 1.991 -9.684 -5.500 307 2HG1 VAL 67 2HG1 VAL 67 3.608 -9.601 -4.763 308 3HG1 VAL 67 3HG1 VAL 67 2.177 -9.872 -3.740 309 1HG2 VAL 67 1HG2 VAL 67 3.618 -7.905 -2.674 310 2HG2 VAL 67 2HG2 VAL 67 4.443 -7.267 -4.117 311 3HG2 VAL 67 3HG2 VAL 67 3.246 -6.265 -3.260 312 H ILE 68 H ILE 68 4.836 -6.382 -5.783 313 HA ILE 68 HA ILE 68 4.490 -3.789 -4.802 314 HB ILE 68 HB ILE 68 6.745 -5.057 -6.355 315 2HG1 ILE 68 2HG1 ILE 68 5.882 -5.889 -3.983 316 1HG2 ILE 68 1HG2 ILE 68 8.087 -3.202 -5.187 317 2HG2 ILE 68 2HG2 ILE 68 7.129 -2.770 -6.623 318 3HG2 ILE 68 3HG2 ILE 68 6.520 -2.378 -4.997 319 1HD1 ILE 68 1HD1 ILE 68 7.891 -6.982 -3.878 320 2HD1 ILE 68 2HD1 ILE 68 8.184 -6.207 -5.453 321 3HD1 ILE 68 3HD1 ILE 68 8.826 -5.471 -3.966 322 H GLU 69 H GLU 69 4.934 -5.052 -8.169 323 HA GLU 69 HA GLU 69 4.945 -2.622 -9.418 324 2HB GLU 69 2HB GLU 69 3.614 -4.338 -11.195 325 2HG GLU 69 2HG GLU 69 6.527 -4.790 -11.015 326 H PHE 70 H PHE 70 2.180 -4.678 -8.366 327 HA PHE 70 HA PHE 70 0.157 -3.290 -9.638 328 2HB PHE 70 2HB PHE 70 -0.920 -4.132 -7.216 329 HD1 PHE 70 1HD PHE 70 -1.635 -4.164 -10.084 330 HD2 PHE 70 2HD PHE 70 -0.074 -7.241 -7.613 331 HE1 PHE 70 1HE PHE 70 -2.692 -5.892 -11.567 332 HE2 PHE 70 2HE PHE 70 -1.130 -8.969 -9.096 333 HZ PHE 70 HZ PHE 70 -2.426 -8.273 -11.056 334 H ILE 71 H ILE 71 1.647 -2.775 -6.374 335 HA ILE 71 HA ILE 71 -0.070 -0.585 -5.787 336 HB ILE 71 HB ILE 71 2.518 -1.486 -4.516 337 2HG1 ILE 71 2HG1 ILE 71 -0.011 -2.752 -4.598 338 1HG2 ILE 71 1HG2 ILE 71 1.187 -0.264 -2.531 339 2HG2 ILE 71 2HG2 ILE 71 2.357 0.568 -3.582 340 3HG2 ILE 71 3HG2 ILE 71 0.612 0.707 -3.907 341 1HD1 ILE 71 1HD1 ILE 71 1.191 -4.461 -3.647 342 2HD1 ILE 71 2HD1 ILE 71 2.582 -3.413 -4.015 343 3HD1 ILE 71 3HD1 ILE 71 1.873 -3.411 -2.383 344 H PHE 72 H PHE 72 3.277 -0.986 -7.061 345 HA PHE 72 HA PHE 72 3.913 1.735 -7.031 346 2HB PHE 72 2HB PHE 72 4.921 -0.060 -9.232 347 HD1 PHE 72 1HD PHE 72 5.331 2.871 -8.525 348 HD2 PHE 72 2HD PHE 72 7.461 -0.634 -7.434 349 HE1 PHE 72 1HE PHE 72 7.416 4.234 -8.219 350 HE2 PHE 72 2HE PHE 72 9.547 0.730 -7.129 351 HZ PHE 72 HZ PHE 72 9.499 3.146 -7.525 352 H ASN 73 H ASN 73 2.571 -0.404 -9.638 353 HA ASN 73 HA ASN 73 2.532 1.577 -11.566 354 2HB ASN 73 2HB ASN 73 0.549 0.002 -12.458 355 1HD2 ASN 73 1HD2 ASN 73 3.421 -1.485 -10.995 356 2HD2 ASN 73 2HD2 ASN 73 4.303 -1.762 -12.460 357 H GLN 74 H GLN 74 0.203 0.507 -9.035 358 HA GLN 74 HA GLN 74 -1.902 2.120 -9.999 359 2HB GLN 74 2HB GLN 74 -2.748 1.615 -7.532 360 2HG GLN 74 2HG GLN 74 -3.842 0.444 -9.272 361 1HE2 GLN 74 1HE2 GLN 74 -2.200 -2.376 -9.375 362 2HE2 GLN 74 2HE2 GLN 74 -1.378 -2.246 -10.895 363 H LEU 75 H LEU 75 0.723 2.469 -7.581 364 HA LEU 75 HA LEU 75 -0.324 4.961 -6.612 365 2HB LEU 75 2HB LEU 75 1.945 4.981 -5.439 366 HG LEU 75 HG LEU 75 0.403 2.454 -4.854 367 1HD1 LEU 75 1HD1 LEU 75 2.593 3.709 -3.631 368 2HD1 LEU 75 2HD1 LEU 75 1.196 4.058 -2.585 369 3HD1 LEU 75 3HD1 LEU 75 1.606 2.374 -2.991 370 1HD2 LEU 75 1HD2 LEU 75 -0.460 5.300 -4.496 371 2HD2 LEU 75 2HD2 LEU 75 -1.406 3.865 -4.959 372 3HD2 LEU 75 3HD2 LEU 75 -0.901 4.090 -3.268 373 H GLU 76 H GLU 76 1.068 4.027 -9.498 374 HA GLU 76 HA GLU 76 2.840 6.254 -9.746 375 2HB GLU 76 2HB GLU 76 2.621 5.309 -12.286 376 2HG GLU 76 2HG GLU 76 4.169 3.348 -10.853 377 H VAL 77 H VAL 77 -0.505 5.874 -9.787 378 HA VAL 77 HA VAL 77 -0.896 7.888 -11.871 379 HB VAL 77 HB VAL 77 -3.158 7.229 -11.894 380 1HG1 VAL 77 1HG1 VAL 77 -1.327 5.608 -12.784 381 2HG1 VAL 77 2HG1 VAL 77 -1.815 4.573 -11.420 382 3HG1 VAL 77 3HG1 VAL 77 -3.007 5.032 -12.659 383 1HG2 VAL 77 1HG2 VAL 77 -3.233 5.148 -9.879 384 2HG2 VAL 77 2HG2 VAL 77 -2.803 6.715 -9.152 385 3HG2 VAL 77 3HG2 VAL 77 -4.303 6.554 -10.100 386 H LYS 78 H LYS 78 -3.155 9.195 -10.999 387 HA LYS 78 HA LYS 78 -2.094 10.598 -8.660 388 2HB LYS 78 2HB LYS 78 -3.508 12.475 -9.439 389 2HG LYS 78 2HG LYS 78 -1.073 11.791 -10.365 390 2HD LYS 78 2HD LYS 78 -2.543 12.085 -12.985 391 2HE LYS 78 2HE LYS 78 -0.214 10.263 -12.669 392 1HZ LYS 78 1HZ LYS 78 -0.047 10.878 -14.761 393 2HZ LYS 78 2HZ LYS 78 -1.400 11.779 -14.612 394 3HZ LYS 78 3HZ LYS 78 0.065 12.462 -14.382 395 H ASN 79 H ASN 79 -4.588 8.441 -9.752 396 HA ASN 79 HA ASN 79 -5.838 8.759 -7.158 397 2HB ASN 79 2HB ASN 79 -7.900 8.051 -9.043 398 1HD2 ASN 79 1HD2 ASN 79 -6.280 10.850 -7.552 399 2HD2 ASN 79 2HD2 ASN 79 -7.635 11.434 -6.646 400 HA PRO 80 HA PRO 80 -5.011 4.425 -8.155 401 2HB PRO 80 2HB PRO 80 -3.091 4.234 -6.898 402 2HG PRO 80 2HG PRO 80 -2.680 6.013 -5.491 403 2HD PRO 80 2HD PRO 80 -3.854 7.668 -6.572 404 H ASP 81 H ASP 81 -6.071 2.421 -7.741 405 HA ASP 81 HA ASP 81 -8.579 2.998 -6.398 406 2HB ASP 81 2HB ASP 81 -7.775 0.752 -8.307 407 H SER 82 H SER 82 -7.778 2.618 -4.198 408 HA SER 82 HA SER 82 -6.169 0.671 -3.340 409 2HB SER 82 2HB SER 82 -6.874 2.201 -1.705 410 HG SER 82 HG SER 82 -8.871 2.997 -1.573 411 H LYS 83 H LYS 83 -9.437 0.336 -4.614 412 HA LYS 83 HA LYS 83 -10.111 -2.112 -3.437 413 2HB LYS 83 2HB LYS 83 -11.800 -2.240 -5.190 414 2HG LYS 83 2HG LYS 83 -12.637 0.245 -4.987 415 2HD LYS 83 2HD LYS 83 -12.022 -1.386 -2.476 416 2HE LYS 83 2HE LYS 83 -12.963 1.132 -2.427 417 1HZ LYS 83 1HZ LYS 83 -15.425 -0.428 -2.696 418 2HZ LYS 83 2HZ LYS 83 -15.258 1.196 -2.629 419 3HZ LYS 83 3HZ LYS 83 -14.787 0.382 -3.963 420 H MET 84 H MET 84 -8.460 -1.286 -6.553 421 HA MET 84 HA MET 84 -8.160 -3.982 -7.271 422 2HB MET 84 2HB MET 84 -6.118 -2.322 -8.475 423 2HG MET 84 2HG MET 84 -7.945 -2.348 -10.394 424 1HE MET 84 1HE MET 84 -8.316 -5.440 -8.622 425 2HE MET 84 2HE MET 84 -7.355 -6.638 -9.521 426 3HE MET 84 3HE MET 84 -6.629 -5.759 -8.153 427 H MET 85 H MET 85 -6.219 -1.657 -5.383 428 HA MET 85 HA MET 85 -3.816 -3.026 -5.486 429 2HB MET 85 2HB MET 85 -4.458 -1.675 -2.909 430 2HG MET 85 2HG MET 85 -2.474 -1.213 -5.181 431 1HE MET 85 1HE MET 85 -3.850 1.103 -5.273 432 2HE MET 85 2HE MET 85 -2.985 2.493 -4.576 433 3HE MET 85 3HE MET 85 -2.132 1.362 -5.655 434 H GLN 86 H GLN 86 -6.469 -3.110 -3.001 435 HA GLN 86 HA GLN 86 -5.184 -5.083 -1.485 436 2HB GLN 86 2HB GLN 86 -8.132 -4.959 -1.251 437 2HG GLN 86 2HG GLN 86 -6.669 -3.816 0.961 438 1HE2 GLN 86 1HE2 GLN 86 -6.970 -7.238 0.146 439 2HE2 GLN 86 2HE2 GLN 86 -8.299 -7.612 1.190 440 H ILE 87 H ILE 87 -7.471 -5.116 -4.222 441 HA ILE 87 HA ILE 87 -8.232 -7.815 -3.959 442 HB ILE 87 HB ILE 87 -8.382 -5.721 -6.083 443 2HG1 ILE 87 2HG1 ILE 87 -9.984 -6.127 -4.037 444 1HG2 ILE 87 1HG2 ILE 87 -9.535 -8.408 -6.685 445 2HG2 ILE 87 2HG2 ILE 87 -8.996 -7.113 -7.781 446 3HG2 ILE 87 3HG2 ILE 87 -7.798 -8.150 -6.972 447 1HD1 ILE 87 1HD1 ILE 87 -11.518 -4.851 -5.181 448 2HD1 ILE 87 2HD1 ILE 87 -10.212 -4.762 -6.386 449 3HD1 ILE 87 3HD1 ILE 87 -11.531 -5.941 -6.587 450 H ASN 88 H ASN 88 -5.555 -6.115 -5.653 451 HA ASN 88 HA ASN 88 -4.682 -8.458 -6.943 452 2HB ASN 88 2HB ASN 88 -2.463 -6.883 -6.986 453 1HD2 ASN 88 1HD2 ASN 88 -3.716 -4.506 -8.339 454 2HD2 ASN 88 2HD2 ASN 88 -4.290 -5.082 -9.868 455 H LEU 89 H LEU 89 -3.871 -6.642 -3.932 456 HA LEU 89 HA LEU 89 -1.555 -8.022 -3.252 457 2HB LEU 89 2HB LEU 89 -2.362 -7.308 -0.870 458 HG LEU 89 HG LEU 89 -2.010 -5.061 -2.860 459 1HD1 LEU 89 1HD1 LEU 89 -1.671 -3.729 -1.103 460 2HD1 LEU 89 2HD1 LEU 89 -2.401 -5.028 -0.130 461 3HD1 LEU 89 3HD1 LEU 89 -0.631 -4.920 -0.285 462 1HD2 LEU 89 1HD2 LEU 89 -0.086 -7.168 -2.042 463 2HD2 LEU 89 2HD2 LEU 89 -0.174 -6.197 -3.532 464 3HD2 LEU 89 3HD2 LEU 89 0.513 -5.492 -2.049 465 H THR 90 H THR 90 -5.035 -8.699 -2.582 466 HA THR 90 HA THR 90 -4.629 -10.873 -0.884 467 HB THR 90 HB THR 90 -6.905 -10.398 -2.878 468 HG1 THR 90 1HG THR 90 -7.619 -8.945 -1.213 469 1HG2 THR 90 1HG2 THR 90 -7.828 -12.169 -1.753 470 2HG2 THR 90 2HG2 THR 90 -6.481 -12.208 -0.589 471 3HG2 THR 90 3HG2 THR 90 -7.859 -11.115 -0.319 472 H GLY 91 H GLY 91 -4.093 -10.537 -4.321 473 1HA GLY 91 1HA GLY 91 -4.412 -13.263 -5.035 474 2HA GLY 91 2HA GLY 91 -3.544 -12.026 -5.921 475 H PHE 92 H PHE 92 -1.893 -11.427 -3.363 476 HA PHE 92 HA PHE 92 -0.118 -13.749 -3.640 477 2HB PHE 92 2HB PHE 92 1.183 -11.369 -2.610 478 HD1 PHE 92 1HD PHE 92 3.372 -11.749 -3.179 479 HD2 PHE 92 2HD PHE 92 0.360 -12.669 -6.023 480 HE1 PHE 92 1HE PHE 92 5.133 -12.505 -4.799 481 HE2 PHE 92 2HE PHE 92 2.121 -13.426 -7.642 482 HZ PHE 92 HZ PHE 92 4.487 -13.335 -7.013 483 H LEU 93 H LEU 93 -1.373 -11.179 -1.429 484 HA LEU 93 HA LEU 93 -0.072 -12.159 0.856 485 2HB LEU 93 2HB LEU 93 -1.490 -10.671 2.070 486 HG LEU 93 HG LEU 93 -1.420 -9.089 -0.446 487 1HD1 LEU 93 1HD1 LEU 93 0.020 -8.250 2.004 488 2HD1 LEU 93 2HD1 LEU 93 -1.074 -7.339 0.935 489 3HD1 LEU 93 3HD1 LEU 93 -1.742 -8.448 2.155 490 1HD2 LEU 93 1HD2 LEU 93 0.534 -10.168 -1.005 491 2HD2 LEU 93 2HD2 LEU 93 1.148 -8.841 0.009 492 3HD2 LEU 93 3HD2 LEU 93 0.984 -10.477 0.690 493 H ASN 94 H ASN 94 -2.080 -12.491 2.797 494 HA ASN 94 HA ASN 94 -2.918 -15.146 2.063 495 2HB ASN 94 2HB ASN 94 -3.637 -15.100 4.606 496 1HD2 ASN 94 1HD2 ASN 94 -0.543 -13.568 4.535 497 2HD2 ASN 94 2HD2 ASN 94 0.456 -14.983 4.588 498 H GLY 95 H GLY 95 -4.110 -11.892 2.324 499 1HA GLY 95 1HA GLY 95 -6.336 -11.611 1.308 500 2HA GLY 95 2HA GLY 95 -6.908 -12.860 2.397 501 H LYS 96 H LYS 96 -5.852 -12.288 4.855 502 HA LYS 96 HA LYS 96 -7.327 -9.944 5.560 503 2HB LYS 96 2HB LYS 96 -5.912 -10.854 7.803 504 2HG LYS 96 2HG LYS 96 -8.500 -10.334 7.146 505 2HD LYS 96 2HD LYS 96 -8.092 -13.158 6.527 506 2HE LYS 96 2HE LYS 96 -9.758 -12.455 8.943 507 1HZ LYS 96 1HZ LYS 96 -10.620 -14.860 7.962 508 2HZ LYS 96 2HZ LYS 96 -11.496 -13.491 8.114 509 3HZ LYS 96 3HZ LYS 96 -10.738 -13.822 6.706 510 H ASN 97 H ASN 97 -3.937 -10.834 4.987 511 HA ASN 97 HA ASN 97 -2.811 -8.683 6.336 512 2HB ASN 97 2HB ASN 97 -1.058 -9.214 4.227 513 1HD2 ASN 97 1HD2 ASN 97 -0.560 -8.286 6.532 514 2HD2 ASN 97 2HD2 ASN 97 0.187 -9.396 7.632 515 H ALA 98 H ALA 98 -4.282 -9.139 3.115 516 HA ALA 98 HA ALA 98 -3.216 -6.846 1.882 517 1HB ALA 98 1HB ALA 98 -5.850 -8.270 1.337 518 2HB ALA 98 2HB ALA 98 -4.917 -7.265 0.203 519 3HB ALA 98 3HB ALA 98 -4.267 -8.829 0.749 520 H ARG 99 H ARG 99 -6.078 -7.475 3.956 521 HA ARG 99 HA ARG 99 -7.199 -4.949 3.505 522 2HB ARG 99 2HB ARG 99 -8.139 -5.793 6.010 523 2HG ARG 99 2HG ARG 99 -9.123 -6.793 3.298 524 2HD ARG 99 2HD ARG 99 -11.373 -6.351 4.591 525 HE ARG 99 HE ARG 99 -9.627 -8.694 4.656 526 1HH1 ARG 99 2HH2 ARG 99 -12.716 -7.396 5.733 527 2HH1 ARG 99 1HH2 ARG 99 -13.450 -8.954 5.918 528 1HH2 ARG 99 2HH1 ARG 99 -10.595 -10.749 4.901 529 2HH2 ARG 99 1HH1 ARG 99 -12.236 -10.873 5.441 530 H GLU 100 H GLU 100 -4.977 -6.360 5.963 531 HA GLU 100 HA GLU 100 -5.024 -4.059 7.595 532 2HB GLU 100 2HB GLU 100 -2.841 -5.248 8.504 533 2HG GLU 100 2HG GLU 100 -5.716 -6.153 8.640 534 H PHE 101 H PHE 101 -3.011 -5.259 4.889 535 HA PHE 101 HA PHE 101 -0.906 -3.443 5.210 536 2HB PHE 101 2HB PHE 101 -2.176 -4.983 2.879 537 HD1 PHE 101 1HD PHE 101 -2.029 -3.089 1.266 538 HD2 PHE 101 2HD PHE 101 1.407 -4.643 3.212 539 HE1 PHE 101 1HE PHE 101 -0.561 -1.986 -0.446 540 HE2 PHE 101 2HE PHE 101 2.874 -3.540 1.500 541 HZ PHE 101 HZ PHE 101 1.873 -2.224 -0.308 542 H MET 102 H MET 102 -3.904 -3.349 3.168 543 HA MET 102 HA MET 102 -3.271 -0.866 2.051 544 2HB MET 102 2HB MET 102 -5.948 -0.983 1.714 545 2HG MET 102 2HG MET 102 -5.614 -2.581 -0.165 546 1HE MET 102 1HE MET 102 -5.936 0.372 0.030 547 2HE MET 102 2HE MET 102 -5.060 0.995 -1.390 548 3HE MET 102 3HE MET 102 -6.031 -0.492 -1.523 549 H GLY 103 H GLY 103 -4.935 -1.886 5.032 550 1HA GLY 103 1HA GLY 103 -6.071 0.704 5.568 551 2HA GLY 103 2HA GLY 103 -6.040 -0.696 6.622 552 H GLU 104 H GLU 104 -2.936 0.030 5.256 553 HA GLU 104 HA GLU 104 -2.258 1.572 7.633 554 2HB GLU 104 2HB GLU 104 0.035 0.264 7.391 555 2HG GLU 104 2HG GLU 104 -1.862 -1.688 8.461 556 H LEU 105 H LEU 105 -1.835 0.844 4.193 557 HA LEU 105 HA LEU 105 0.167 2.954 3.963 558 2HB LEU 105 2HB LEU 105 -0.326 0.471 2.644 559 HG LEU 105 HG LEU 105 0.188 1.184 0.324 560 1HD1 LEU 105 1HD1 LEU 105 -1.953 0.861 -0.192 561 2HD1 LEU 105 2HD1 LEU 105 -2.287 0.915 1.555 562 3HD1 LEU 105 3HD1 LEU 105 -2.450 2.390 0.573 563 1HD2 LEU 105 1HD2 LEU 105 0.521 3.298 -0.271 564 2HD2 LEU 105 2HD2 LEU 105 -1.020 3.813 0.457 565 3HD2 LEU 105 3HD2 LEU 105 0.450 3.727 1.455 566 H TRP 106 H TRP 106 -3.194 2.071 3.120 567 HA TRP 106 HA TRP 106 -3.673 4.157 1.330 568 2HB TRP 106 2HB TRP 106 -5.720 2.968 3.192 569 HD1 TRP 106 HD TRP 106 -7.901 4.264 2.582 570 HE1 TRP 106 1HE TRP 106 -9.101 5.223 0.436 571 HE3 TRP 106 3HE TRP 106 -4.185 3.065 -0.676 572 HZ2 TRP 106 2HZ TRP 106 -8.378 5.369 -2.320 573 HZ3 TRP 106 3HZ TRP 106 -4.512 3.650 -3.077 574 HH2 TRP 106 HH TRP 106 -6.521 4.763 -3.915 575 HA PRO 107 HA PRO 107 -4.804 6.503 5.313 576 2HB PRO 107 2HB PRO 107 -5.488 5.243 7.116 577 2HG PRO 107 2HG PRO 107 -4.845 3.029 7.042 578 2HD PRO 107 2HD PRO 107 -4.574 2.757 4.776 579 H LEU 108 H LEU 108 -1.705 5.011 5.017 580 HA LEU 108 HA LEU 108 -0.214 6.946 6.338 581 2HB LEU 108 2HB LEU 108 1.129 5.849 4.021 582 HG LEU 108 HG LEU 108 1.744 6.277 6.716 583 1HD1 LEU 108 1HD1 LEU 108 2.579 4.041 7.447 584 2HD1 LEU 108 2HD1 LEU 108 0.805 4.183 7.408 585 3HD1 LEU 108 3HD1 LEU 108 1.657 3.312 6.110 586 1HD2 LEU 108 1HD2 LEU 108 3.640 4.599 5.208 587 2HD2 LEU 108 2HD2 LEU 108 3.070 6.050 4.346 588 3HD2 LEU 108 3HD2 LEU 108 3.848 6.209 5.940 589 H LEU 109 H LEU 109 -1.428 6.763 2.949 590 HA LEU 109 HA LEU 109 -0.110 9.160 2.181 591 2HB LEU 109 2HB LEU 109 -1.236 8.905 0.120 592 HG LEU 109 HG LEU 109 -0.450 6.282 1.345 593 1HD1 LEU 109 1HD1 LEU 109 -0.809 5.267 -0.970 594 2HD1 LEU 109 2HD1 LEU 109 -2.248 5.503 0.050 595 3HD1 LEU 109 3HD1 LEU 109 -1.902 6.639 -1.277 596 1HD2 LEU 109 1HD2 LEU 109 0.611 8.105 -0.804 597 2HD2 LEU 109 2HD2 LEU 109 1.412 7.505 0.669 598 3HD2 LEU 109 3HD2 LEU 109 1.121 6.403 -0.698 599 H LEU 110 H LEU 110 -3.229 8.301 3.660 600 HA LEU 110 HA LEU 110 -4.643 10.604 3.113 601 2HB LEU 110 2HB LEU 110 -5.559 9.979 5.554 602 HG LEU 110 HG LEU 110 -7.187 9.560 4.030 603 1HD1 LEU 110 1HD1 LEU 110 -6.077 9.737 1.999 604 2HD1 LEU 110 2HD1 LEU 110 -5.018 8.346 2.335 605 3HD1 LEU 110 3HD1 LEU 110 -6.736 8.084 1.951 606 1HD2 LEU 110 1HD2 LEU 110 -6.473 6.688 3.901 607 2HD2 LEU 110 2HD2 LEU 110 -6.562 7.403 5.529 608 3HD2 LEU 110 3HD2 LEU 110 -7.970 7.486 4.443 609 H SER 111 H SER 111 -2.267 9.906 5.744 610 HA SER 111 HA SER 111 -2.589 12.511 6.817 611 2HB SER 111 2HB SER 111 -0.503 10.344 7.322 612 HG SER 111 HG SER 111 0.251 12.452 8.014 613 H ALA 112 H ALA 112 -0.453 10.867 4.487 614 HA ALA 112 HA ALA 112 1.595 12.797 4.472 615 1HB ALA 112 1HB ALA 112 2.522 11.279 3.092 616 2HB ALA 112 2HB ALA 112 1.050 10.301 3.302 617 3HB ALA 112 3HB ALA 112 1.182 11.427 1.930 618 H GLN 113 H GLN 113 -1.401 12.320 2.498 619 HA GLN 113 HA GLN 113 -0.914 14.435 0.784 620 2HB GLN 113 2HB GLN 113 -2.591 12.655 0.372 621 2HG GLN 113 2HG GLN 113 -3.949 13.985 2.741 622 1HE2 GLN 113 1HE2 GLN 113 -4.634 11.371 0.425 623 2HE2 GLN 113 2HE2 GLN 113 -6.284 11.788 0.100 624 H GLU 114 H GLU 114 -1.698 14.394 4.147 625 HA GLU 114 HA GLU 114 -2.989 16.960 4.057 626 2HB GLU 114 2HB GLU 114 -3.012 16.647 6.597 627 2HG GLU 114 2HG GLU 114 -4.288 14.170 5.914 628 H ASN 115 H ASN 115 0.189 15.739 4.031 629 HA ASN 115 HA ASN 115 1.279 17.820 5.668 630 2HB ASN 115 2HB ASN 115 3.246 16.450 3.995 631 1HD2 ASN 115 1HD2 ASN 115 1.933 15.087 6.932 632 2HD2 ASN 115 2HD2 ASN 115 3.145 15.653 8.032 633 H ILE 116 H ILE 116 3.674 18.340 4.072 634 HA ILE 116 HA ILE 116 2.470 19.822 1.840 635 HB ILE 116 HB ILE 116 3.471 21.029 3.896 636 2HG1 ILE 116 2HG1 ILE 116 3.748 22.902 2.600 637 1HG2 ILE 116 1HG2 ILE 116 5.542 19.777 4.064 638 2HG2 ILE 116 2HG2 ILE 116 6.008 20.272 2.420 639 3HG2 ILE 116 3HG2 ILE 116 5.885 21.488 3.714 640 1HD1 ILE 116 1HD1 ILE 116 5.179 21.066 0.644 641 2HD1 ILE 116 2HD1 ILE 116 4.643 22.697 0.176 642 3HD1 ILE 116 3HD1 ILE 116 5.822 22.491 1.493 643 H ALA 117 H ALA 117 5.231 17.827 2.990 644 HA ALA 117 HA ALA 117 6.294 17.729 0.291 645 1HB ALA 117 1HB ALA 117 8.069 16.343 1.443 646 2HB ALA 117 2HB ALA 117 7.890 17.996 2.079 647 3HB ALA 117 3HB ALA 117 7.202 16.619 2.973 648 H GLY 118 H GLY 118 3.637 16.449 1.575 649 1HA GLY 118 1HA GLY 118 2.408 14.611 1.183 650 2HA GLY 118 2HA GLY 118 3.442 14.309 -0.199 651 H ILE 119 H ILE 119 4.386 14.445 3.290 652 HA ILE 119 HA ILE 119 5.086 11.599 3.065 653 HB ILE 119 HB ILE 119 6.662 13.945 3.895 654 2HG1 ILE 119 2HG1 ILE 119 7.205 11.218 2.716 655 1HG2 ILE 119 1HG2 ILE 119 6.321 12.975 6.088 656 2HG2 ILE 119 2HG2 ILE 119 6.776 11.365 5.480 657 3HG2 ILE 119 3HG2 ILE 119 7.987 12.668 5.540 658 1HD1 ILE 119 1HD1 ILE 119 6.417 12.915 1.139 659 2HD1 ILE 119 2HD1 ILE 119 7.580 14.099 1.781 660 3HD1 ILE 119 3HD1 ILE 119 8.164 12.671 0.894 661 HA PRO 120 HA PRO 120 2.461 11.189 6.481 662 2HB PRO 120 2HB PRO 120 1.921 9.031 5.886 663 2HG PRO 120 2HG PRO 120 3.425 8.022 4.457 664 2HD PRO 120 2HD PRO 120 4.366 9.877 3.479 665 H SER 121 H SER 121 2.327 11.292 8.739 666 HA SER 121 HA SER 121 4.604 12.345 9.871 667 2HB SER 121 2HB SER 121 2.301 12.749 10.700 668 HG SER 121 HG SER 121 1.167 11.179 11.823 669 H ALA 122 H ALA 122 3.743 9.065 9.195 670 HA ALA 122 HA ALA 122 4.904 7.729 11.345 671 1HB ALA 122 1HB ALA 122 5.296 6.149 9.060 672 2HB ALA 122 2HB ALA 122 3.875 6.135 10.133 673 3HB ALA 122 3HB ALA 122 3.877 7.153 8.672 674 H PHE 123 H PHE 123 6.277 9.435 8.562 675 HA PHE 123 HA PHE 123 8.903 8.315 9.170 676 2HB PHE 123 2HB PHE 123 9.467 9.393 6.978 677 HD1 PHE 123 1HD PHE 123 7.600 9.262 4.694 678 HD2 PHE 123 2HD PHE 123 7.873 6.815 8.151 679 HE1 PHE 123 1HE PHE 123 6.572 7.356 3.426 680 HE2 PHE 123 2HE PHE 123 6.845 4.909 6.882 681 HZ PHE 123 HZ PHE 123 6.207 5.201 4.535 682 H LEU 124 H LEU 124 7.029 11.382 9.066 683 HA LEU 124 HA LEU 124 9.089 13.163 9.439 684 2HB LEU 124 2HB LEU 124 7.403 14.656 10.340 685 HG LEU 124 HG LEU 124 6.262 12.914 8.137 686 1HD1 LEU 124 1HD1 LEU 124 5.191 15.460 7.866 687 2HD1 LEU 124 2HD1 LEU 124 4.350 14.008 8.462 688 3HD1 LEU 124 3HD1 LEU 124 5.096 15.139 9.615 689 1HD2 LEU 124 1HD2 LEU 124 6.996 14.949 6.747 690 2HD2 LEU 124 2HD2 LEU 124 8.018 15.363 8.144 691 3HD2 LEU 124 3HD2 LEU 124 8.248 13.812 7.302 692 H GLU 125 H GLU 125 6.927 11.954 12.102 693 HA GLU 125 HA GLU 125 8.346 12.858 14.170 694 2HB GLU 125 2HB GLU 125 7.034 10.107 14.039 695 2HG GLU 125 2HG GLU 125 8.433 10.823 16.126 696 H LEU 126 H LEU 126 8.891 9.701 12.464 697 HA LEU 126 HA LEU 126 10.941 8.770 14.040 698 2HB LEU 126 2HB LEU 126 11.648 7.776 11.669 699 HG LEU 126 HG LEU 126 9.181 7.052 13.254 700 1HD1 LEU 126 1HD1 LEU 126 9.638 6.360 10.557 701 2HD1 LEU 126 2HD1 LEU 126 10.023 4.916 11.525 702 3HD1 LEU 126 3HD1 LEU 126 8.428 5.690 11.676 703 1HD2 LEU 126 1HD2 LEU 126 10.653 6.043 14.570 704 2HD2 LEU 126 2HD2 LEU 126 11.097 4.982 13.212 705 3HD2 LEU 126 3HD2 LEU 126 11.992 6.495 13.488 706 H LYS 127 H LYS 127 11.608 10.093 10.740 707 HA LYS 127 HA LYS 127 14.238 10.635 11.164 708 2HB LYS 127 2HB LYS 127 13.900 12.378 9.323 709 2HG LYS 127 2HG LYS 127 13.002 10.511 7.711 710 2HD LYS 127 2HD LYS 127 15.273 9.275 9.126 711 2HE LYS 127 2HE LYS 127 14.488 9.364 6.556 712 1HZ LYS 127 1HZ LYS 127 14.762 11.620 6.156 713 2HZ LYS 127 2HZ LYS 127 16.188 11.715 6.947 714 3HZ LYS 127 3HZ LYS 127 16.104 10.951 5.507 715 H LYS 128 H LYS 128 15.433 12.105 12.283 716 HA LYS 128 HA LYS 128 14.073 13.803 14.104 717 2HB LYS 128 2HB LYS 128 16.520 14.557 14.532 718 2HG LYS 128 2HG LYS 128 14.964 12.379 15.413 719 2HD LYS 128 2HD LYS 128 17.644 11.504 14.338 720 2HE LYS 128 2HE LYS 128 16.310 10.343 16.832 721 1HZ LYS 128 1HZ LYS 128 17.909 8.723 16.710 722 2HZ LYS 128 2HZ LYS 128 17.486 8.872 15.139 723 3HZ LYS 128 3HZ LYS 128 18.869 9.550 15.679 724 H GLU 129 H GLU 129 12.861 14.723 12.024 725 HA GLU 129 HA GLU 129 14.387 16.692 10.647 726 2HB GLU 129 2HB GLU 129 11.447 16.897 10.459 727 2HG GLU 129 2HG GLU 129 12.184 16.250 8.004 728 H GLU 130 H GLU 130 14.859 17.372 13.181 729 HA GLU 130 HA GLU 130 14.766 18.984 14.630 730 2HB GLU 130 2HB GLU 130 12.980 20.480 12.661 731 2HG GLU 130 2HG GLU 130 13.147 21.513 14.928 732 H ILE 131 H ILE 131 13.655 19.154 16.557 733 HA ILE 131 HA ILE 131 10.916 18.186 16.528 734 HB ILE 131 HB ILE 131 11.621 17.120 18.314 735 2HG1 ILE 131 2HG1 ILE 131 11.797 19.918 19.436 736 1HG2 ILE 131 1HG2 ILE 131 14.099 18.859 18.422 737 2HG2 ILE 131 2HG2 ILE 131 13.865 17.262 19.173 738 3HG2 ILE 131 3HG2 ILE 131 13.915 17.414 17.400 739 1HD1 ILE 131 1HD1 ILE 131 9.860 18.682 20.814 740 2HD1 ILE 131 2HD1 ILE 131 9.534 19.416 19.225 741 3HD1 ILE 131 3HD1 ILE 131 9.805 17.662 19.357 742 H LYS 132 H LYS 132 9.147 19.460 16.825 743 HA LYS 132 HA LYS 132 9.011 21.717 18.357 744 2HB LYS 132 2HB LYS 132 8.929 23.137 15.911 745 2HG LYS 132 2HG LYS 132 11.247 23.939 17.191 746 2HD LYS 132 2HD LYS 132 8.595 24.860 16.901 747 2HE LYS 132 2HE LYS 132 9.257 24.287 19.749 748 1HZ LYS 132 1HZ LYS 132 8.402 26.304 20.528 749 2HZ LYS 132 2HZ LYS 132 9.570 26.725 19.466 750 3HZ LYS 132 3HZ LYS 132 7.998 26.838 19.039 751 H GLN 133 H GLN 133 7.450 19.472 17.892 752 HA GLN 133 HA GLN 133 5.016 20.728 17.243 753 2HB GLN 133 2HB GLN 133 5.828 20.240 14.935 754 2HG GLN 133 2HG GLN 133 5.467 17.293 15.518 755 1HE2 GLN 133 1HE2 GLN 133 8.433 18.083 14.280 756 2HE2 GLN 133 2HE2 GLN 133 8.119 17.974 12.581 757 H ARG 134 H ARG 134 3.133 19.228 17.644 758 HA ARG 134 HA ARG 134 2.166 17.936 19.110 759 2HB ARG 134 2HB ARG 134 4.115 15.751 18.266 760 2HG ARG 134 2HG ARG 134 1.557 15.837 19.601 761 2HD ARG 134 2HD ARG 134 1.531 14.296 16.961 762 HE ARG 134 HE ARG 134 -0.041 14.028 19.338 763 1HH1 ARG 134 2HH2 ARG 134 -0.452 14.295 15.853 764 2HH1 ARG 134 1HH2 ARG 134 -1.942 13.413 15.833 765 1HH2 ARG 134 2HH1 ARG 134 -2.008 12.865 19.310 766 2HH2 ARG 134 1HH1 ARG 134 -2.833 12.594 17.812 Start of MODEL 8 1 1H SER 24 H SER 24 -7.343 -8.741 -12.862 2 HA SER 24 HA SER 24 -9.094 -8.755 -11.192 3 2HB SER 24 2HB SER 24 -11.160 -8.717 -12.184 4 HG SER 24 HG SER 24 -10.497 -10.653 -14.199 5 H HIS 25 H HIS 25 -6.721 -9.946 -11.253 6 HA HIS 25 HA HIS 25 -6.603 -12.648 -11.803 7 2HB HIS 25 2HB HIS 25 -4.682 -12.619 -10.163 8 HD1 HIS 25 1HD HIS 25 -5.757 -11.289 -13.298 9 HD2 HIS 25 2HD HIS 25 -2.269 -10.909 -10.998 10 HE1 HIS 25 1HE HIS 25 -3.933 -10.489 -14.893 11 H MET 26 H MET 26 -7.936 -10.865 -9.026 12 HA MET 26 HA MET 26 -9.385 -13.127 -8.232 13 2HB MET 26 2HB MET 26 -7.377 -13.935 -7.166 14 2HG MET 26 2HG MET 26 -6.235 -12.184 -5.484 15 1HE MET 26 1HE MET 26 -4.959 -10.015 -8.049 16 2HE MET 26 2HE MET 26 -4.258 -10.524 -6.494 17 3HE MET 26 3HE MET 26 -3.408 -10.889 -8.014 18 H GLN 27 H GLN 27 -11.284 -12.042 -7.898 19 HA GLN 27 HA GLN 27 -11.180 -9.399 -6.807 20 2HB GLN 27 2HB GLN 27 -13.844 -10.643 -7.122 21 2HG GLN 27 2HG GLN 27 -13.349 -8.164 -6.984 22 1HE2 GLN 27 1HE2 GLN 27 -12.970 -6.272 -8.383 23 2HE2 GLN 27 2HE2 GLN 27 -11.613 -6.280 -9.459 24 H LEU 28 H LEU 28 -12.478 -8.737 -4.891 25 HA LEU 28 HA LEU 28 -13.548 -10.675 -3.150 26 2HB LEU 28 2HB LEU 28 -11.466 -11.446 -2.568 27 HG LEU 28 HG LEU 28 -9.540 -9.977 -1.917 28 1HD1 LEU 28 1HD1 LEU 28 -8.605 -10.053 -4.014 29 2HD1 LEU 28 2HD1 LEU 28 -9.975 -11.175 -4.212 30 3HD1 LEU 28 3HD1 LEU 28 -10.094 -9.507 -4.823 31 1HD2 LEU 28 1HD2 LEU 28 -10.868 -7.891 -1.657 32 2HD2 LEU 28 2HD2 LEU 28 -9.421 -7.699 -2.675 33 3HD2 LEU 28 3HD2 LEU 28 -11.031 -7.816 -3.428 34 H LYS 29 H LYS 29 -13.464 -9.390 -0.729 35 HA LYS 29 HA LYS 29 -14.827 -6.915 -1.413 36 2HB LYS 29 2HB LYS 29 -14.674 -8.372 1.241 37 2HG LYS 29 2HG LYS 29 -16.291 -6.057 0.129 38 2HD LYS 29 2HD LYS 29 -17.268 -8.280 1.801 39 2HE LYS 29 2HE LYS 29 -18.544 -6.160 3.080 40 1HZ LYS 29 1HZ LYS 29 -17.132 -8.342 3.770 41 2HZ LYS 29 2HZ LYS 29 -16.285 -7.143 4.485 42 3HZ LYS 29 3HZ LYS 29 -17.874 -7.329 4.814 43 H PHE 30 H PHE 30 -14.353 -4.896 -0.308 44 HA PHE 30 HA PHE 30 -11.533 -4.789 0.495 45 2HB PHE 30 2HB PHE 30 -11.451 -2.856 -0.812 46 HD1 PHE 30 1HD PHE 30 -11.501 -4.600 -2.660 47 HD2 PHE 30 2HD PHE 30 -14.947 -2.439 -1.457 48 HE1 PHE 30 1HE PHE 30 -12.616 -5.167 -4.836 49 HE2 PHE 30 2HE PHE 30 -16.064 -3.005 -3.632 50 HZ PHE 30 HZ PHE 30 -14.884 -4.362 -5.296 51 H ALA 31 H ALA 31 -11.003 -3.009 2.098 52 HA ALA 31 HA ALA 31 -12.753 -3.261 4.330 53 1HB ALA 31 1HB ALA 31 -10.519 -3.191 4.949 54 2HB ALA 31 2HB ALA 31 -10.103 -1.976 3.715 55 3HB ALA 31 3HB ALA 31 -10.974 -1.487 5.189 56 H GLU 32 H GLU 32 -12.738 -0.782 5.575 57 HA GLU 32 HA GLU 32 -14.537 0.650 3.804 58 2HB GLU 32 2HB GLU 32 -15.404 1.700 5.878 59 2HG GLU 32 2HG GLU 32 -15.137 -1.250 6.512 60 H CYS 33 H CYS 33 -11.472 0.874 5.565 61 HA CYS 33 HA CYS 33 -11.235 3.658 5.550 62 2HB CYS 33 2HB CYS 33 -8.716 3.081 5.702 63 HG CYS 33 HG CYS 33 -8.843 3.234 8.072 64 H LEU 34 H LEU 34 -10.872 1.122 3.115 65 HA LEU 34 HA LEU 34 -9.181 2.475 1.343 66 2HB LEU 34 2HB LEU 34 -9.794 0.833 -0.232 67 HG LEU 34 HG LEU 34 -10.425 -0.869 2.117 68 1HD1 LEU 34 1HD1 LEU 34 -8.838 -1.002 -0.391 69 2HD1 LEU 34 2HD1 LEU 34 -8.238 -1.943 0.995 70 3HD1 LEU 34 3HD1 LEU 34 -9.885 -2.217 0.379 71 1HD2 LEU 34 1HD2 LEU 34 -9.026 0.378 3.421 72 2HD2 LEU 34 2HD2 LEU 34 -7.832 -0.684 2.635 73 3HD2 LEU 34 3HD2 LEU 34 -8.077 0.976 2.039 74 H GLU 35 H GLU 35 -12.368 3.174 2.408 75 HA GLU 35 HA GLU 35 -13.048 4.483 -0.073 76 2HB GLU 35 2HB GLU 35 -15.251 4.754 0.852 77 2HG GLU 35 2HG GLU 35 -14.681 2.189 2.252 78 H LYS 36 H LYS 36 -10.737 5.374 1.619 79 HA LYS 36 HA LYS 36 -11.749 7.955 2.556 80 2HB LYS 36 2HB LYS 36 -9.319 8.038 3.500 81 2HG LYS 36 2HG LYS 36 -10.401 6.014 5.156 82 2HD LYS 36 2HD LYS 36 -10.110 8.941 5.123 83 2HE LYS 36 2HE LYS 36 -12.694 8.513 5.408 84 1HZ LYS 36 1HZ LYS 36 -13.322 7.471 7.245 85 2HZ LYS 36 2HZ LYS 36 -11.819 6.833 7.296 86 3HZ LYS 36 3HZ LYS 36 -12.176 8.154 8.186 87 H LYS 37 H LYS 37 -10.384 6.430 -0.161 88 HA LYS 37 HA LYS 37 -9.359 7.150 -1.982 89 2HB LYS 37 2HB LYS 37 -9.954 9.513 -2.704 90 2HG LYS 37 2HG LYS 37 -11.504 7.163 -2.537 91 2HD LYS 37 2HD LYS 37 -12.735 9.275 -0.952 92 2HE LYS 37 2HE LYS 37 -14.451 8.248 -3.251 93 1HZ LYS 37 1HZ LYS 37 -15.219 9.172 -0.951 94 2HZ LYS 37 2HZ LYS 37 -14.984 10.615 -1.677 95 3HZ LYS 37 3HZ LYS 37 -16.028 9.539 -2.321 96 H VAL 38 H VAL 38 -7.777 8.991 -2.898 97 HA VAL 38 HA VAL 38 -6.164 10.162 -0.817 98 HB VAL 38 HB VAL 38 -4.145 8.999 -1.367 99 1HG1 VAL 38 1HG1 VAL 38 -5.650 8.010 0.349 100 2HG1 VAL 38 2HG1 VAL 38 -6.340 6.953 -0.905 101 3HG1 VAL 38 3HG1 VAL 38 -4.624 6.801 -0.459 102 1HG2 VAL 38 1HG2 VAL 38 -3.793 7.699 -3.178 103 2HG2 VAL 38 2HG2 VAL 38 -5.373 6.891 -3.034 104 3HG2 VAL 38 3HG2 VAL 38 -5.258 8.488 -3.810 105 H ASP 39 H ASP 39 -3.847 10.466 -2.605 106 HA ASP 39 HA ASP 39 -4.653 11.418 -5.079 107 2HB ASP 39 2HB ASP 39 -3.892 13.769 -3.373 108 H MET 40 H MET 40 -2.663 10.378 -5.695 109 HA MET 40 HA MET 40 -0.286 10.674 -4.322 110 2HB MET 40 2HB MET 40 0.719 9.783 -6.459 111 2HG MET 40 2HG MET 40 -0.978 7.839 -6.793 112 1HE MET 40 1HE MET 40 -1.527 9.058 -3.476 113 2HE MET 40 2HE MET 40 -0.748 7.846 -2.430 114 3HE MET 40 3HE MET 40 0.121 9.337 -2.865 115 H SER 41 H SER 41 -1.948 12.811 -6.569 116 HA SER 41 HA SER 41 0.348 14.210 -7.396 117 2HB SER 41 2HB SER 41 -2.502 15.277 -7.328 118 HG SER 41 HG SER 41 -1.723 16.754 -8.663 119 H LYS 42 H LYS 42 -1.177 13.947 -4.392 120 HA LYS 42 HA LYS 42 -0.273 16.636 -3.624 121 2HB LYS 42 2HB LYS 42 -2.041 16.842 -2.124 122 2HG LYS 42 2HG LYS 42 -4.121 16.075 -3.395 123 2HD LYS 42 2HD LYS 42 -1.923 17.437 -5.025 124 2HE LYS 42 2HE LYS 42 -3.905 16.704 -6.388 125 1HZ LYS 42 1HZ LYS 42 -5.920 16.976 -5.580 126 2HZ LYS 42 2HZ LYS 42 -5.289 17.471 -4.157 127 3HZ LYS 42 3HZ LYS 42 -5.691 18.568 -5.297 128 H VAL 43 H VAL 43 -0.424 13.136 -2.870 129 HA VAL 43 HA VAL 43 1.595 13.612 -0.791 130 HB VAL 43 HB VAL 43 0.075 12.492 0.404 131 1HG1 VAL 43 1HG1 VAL 43 -1.664 12.685 -1.310 132 2HG1 VAL 43 2HG1 VAL 43 -1.021 11.248 -2.142 133 3HG1 VAL 43 3HG1 VAL 43 -1.730 11.093 -0.516 134 1HG2 VAL 43 1HG2 VAL 43 0.892 10.030 -1.156 135 2HG2 VAL 43 2HG2 VAL 43 2.006 10.877 -0.054 136 3HG2 VAL 43 3HG2 VAL 43 0.496 10.172 0.574 137 H ASN 44 H ASN 44 3.467 12.211 -0.739 138 HA ASN 44 HA ASN 44 4.213 11.456 -3.405 139 2HB ASN 44 2HB ASN 44 6.314 10.787 -1.618 140 1HD2 ASN 44 1HD2 ASN 44 7.870 12.875 -1.506 141 2HD2 ASN 44 2HD2 ASN 44 8.084 13.665 -3.033 142 H LEU 45 H LEU 45 4.295 9.292 -4.091 143 HA LEU 45 HA LEU 45 3.562 7.283 -2.119 144 2HB LEU 45 2HB LEU 45 2.658 7.774 -4.624 145 HG LEU 45 HG LEU 45 3.272 6.051 -6.129 146 1HD1 LEU 45 1HD1 LEU 45 6.047 6.581 -5.764 147 2HD1 LEU 45 2HD1 LEU 45 4.910 7.318 -6.918 148 3HD1 LEU 45 3HD1 LEU 45 5.137 8.042 -5.308 149 1HD2 LEU 45 1HD2 LEU 45 4.397 4.149 -5.663 150 2HD2 LEU 45 2HD2 LEU 45 5.525 4.952 -4.544 151 3HD2 LEU 45 3HD2 LEU 45 3.885 4.525 -4.000 152 H GLU 46 H GLU 46 6.316 8.554 -3.835 153 HA GLU 46 HA GLU 46 7.830 6.254 -4.034 154 2HB GLU 46 2HB GLU 46 9.574 8.449 -3.464 155 2HG GLU 46 2HG GLU 46 8.490 7.294 -6.075 156 H VAL 47 H VAL 47 7.283 8.539 -1.318 157 HA VAL 47 HA VAL 47 9.301 7.437 0.334 158 HB VAL 47 HB VAL 47 8.035 8.693 2.112 159 1HG1 VAL 47 1HG1 VAL 47 9.093 9.956 -0.406 160 2HG1 VAL 47 2HG1 VAL 47 8.445 10.975 0.901 161 3HG1 VAL 47 3HG1 VAL 47 9.816 9.885 1.218 162 1HG2 VAL 47 1HG2 VAL 47 5.949 8.576 0.219 163 2HG2 VAL 47 2HG2 VAL 47 5.958 9.435 1.778 164 3HG2 VAL 47 3HG2 VAL 47 6.448 10.282 0.291 165 H ILE 48 H ILE 48 6.436 6.129 -0.873 166 HA ILE 48 HA ILE 48 6.123 4.448 1.517 167 HB ILE 48 HB ILE 48 3.999 4.454 -0.526 168 2HG1 ILE 48 2HG1 ILE 48 3.060 6.570 0.016 169 1HG2 ILE 48 1HG2 ILE 48 3.666 4.915 2.423 170 2HG2 ILE 48 2HG2 ILE 48 2.607 4.061 1.274 171 3HG2 ILE 48 3HG2 ILE 48 4.127 3.308 1.811 172 1HD1 ILE 48 1HD1 ILE 48 4.469 8.170 1.487 173 2HD1 ILE 48 2HD1 ILE 48 3.552 6.898 2.330 174 3HD1 ILE 48 3HD1 ILE 48 5.302 6.707 2.065 175 H LYS 49 H LYS 49 7.831 4.529 -1.236 176 HA LYS 49 HA LYS 49 7.058 2.108 -2.490 177 2HB LYS 49 2HB LYS 49 9.358 2.376 -3.571 178 2HG LYS 49 2HG LYS 49 8.608 4.578 -4.719 179 2HD LYS 49 2HD LYS 49 6.192 3.204 -5.138 180 2HE LYS 49 2HE LYS 49 7.315 2.295 -7.127 181 1HZ LYS 49 1HZ LYS 49 7.510 4.961 -6.336 182 2HZ LYS 49 2HZ LYS 49 8.825 4.593 -7.232 183 3HZ LYS 49 3HZ LYS 49 7.328 4.360 -7.844 184 HA PRO 50 HA PRO 50 10.537 0.415 0.238 185 2HB PRO 50 2HB PRO 50 12.229 1.865 0.817 186 2HG PRO 50 2HG PRO 50 11.675 4.099 0.668 187 2HD PRO 50 2HD PRO 50 9.968 3.996 -0.868 188 H TRP 51 H TRP 51 8.016 2.273 1.698 189 HA TRP 51 HA TRP 51 7.806 0.612 3.993 190 2HB TRP 51 2HB TRP 51 5.793 2.503 2.763 191 HD1 TRP 51 HD TRP 51 6.560 2.535 6.479 192 HE1 TRP 51 1HE TRP 51 4.521 1.686 7.922 193 HE3 TRP 51 3HE TRP 51 3.841 0.777 2.559 194 HZ2 TRP 51 2HZ TRP 51 2.056 0.403 7.278 195 HZ3 TRP 51 3HZ TRP 51 1.628 -0.260 3.053 196 HH2 TRP 51 HH TRP 51 0.727 -0.462 5.315 197 H ILE 52 H ILE 52 6.104 0.885 0.802 198 HA ILE 52 HA ILE 52 4.302 -1.200 1.293 199 HB ILE 52 HB ILE 52 5.221 0.399 -1.017 200 2HG1 ILE 52 2HG1 ILE 52 2.931 0.180 0.671 201 1HG2 ILE 52 1HG2 ILE 52 4.022 -1.007 -2.640 202 2HG2 ILE 52 2HG2 ILE 52 5.442 -1.833 -1.956 203 3HG2 ILE 52 3HG2 ILE 52 3.809 -2.257 -1.391 204 1HD1 ILE 52 1HD1 ILE 52 3.915 1.933 -1.582 205 2HD1 ILE 52 2HD1 ILE 52 2.239 2.120 -1.010 206 3HD1 ILE 52 3HD1 ILE 52 3.596 2.353 0.119 207 H THR 53 H THR 53 7.501 -1.112 -0.411 208 HA THR 53 HA THR 53 7.533 -3.844 -1.037 209 HB THR 53 HB THR 53 9.681 -1.700 -0.662 210 HG1 THR 53 1HG THR 53 8.419 -3.141 -2.890 211 1HG2 THR 53 1HG2 THR 53 11.331 -3.186 -1.266 212 2HG2 THR 53 2HG2 THR 53 10.216 -4.443 -0.676 213 3HG2 THR 53 3HG2 THR 53 10.257 -4.030 -2.408 214 H LYS 54 H LYS 54 8.519 -2.044 1.900 215 HA LYS 54 HA LYS 54 9.755 -4.315 3.077 216 2HB LYS 54 2HB LYS 54 8.794 -1.696 4.269 217 2HG LYS 54 2HG LYS 54 10.758 -3.759 5.370 218 2HD LYS 54 2HD LYS 54 9.495 -1.454 6.879 219 2HE LYS 54 2HE LYS 54 12.057 -3.093 7.136 220 1HZ LYS 54 1HZ LYS 54 11.268 -1.129 9.102 221 2HZ LYS 54 2HZ LYS 54 12.761 -1.641 8.684 222 3HZ LYS 54 3HZ LYS 54 11.973 -0.563 7.744 223 H ARG 55 H ARG 55 6.472 -2.897 3.027 224 HA ARG 55 HA ARG 55 5.536 -4.496 5.130 225 2HB ARG 55 2HB ARG 55 3.261 -3.865 3.719 226 2HG ARG 55 2HG ARG 55 3.354 -1.625 4.973 227 2HD ARG 55 2HD ARG 55 3.929 -4.268 6.377 228 HE ARG 55 HE ARG 55 3.919 -1.639 7.581 229 1HH1 ARG 55 2HH2 ARG 55 2.746 -4.919 8.069 230 2HH1 ARG 55 1HH2 ARG 55 2.677 -4.775 9.794 231 1HH2 ARG 55 2HH1 ARG 55 3.830 -1.447 9.856 232 2HH2 ARG 55 1HH1 ARG 55 3.298 -2.786 10.817 233 H VAL 56 H VAL 56 5.286 -4.664 1.510 234 HA VAL 56 HA VAL 56 3.785 -7.033 1.460 235 HB VAL 56 HB VAL 56 4.503 -7.112 -0.901 236 1HG1 VAL 56 1HG1 VAL 56 2.582 -5.744 -0.228 237 2HG1 VAL 56 2HG1 VAL 56 3.661 -4.360 0.071 238 3HG1 VAL 56 3HG1 VAL 56 3.461 -4.992 -1.582 239 1HG2 VAL 56 1HG2 VAL 56 6.627 -6.368 -1.215 240 2HG2 VAL 56 2HG2 VAL 56 5.796 -4.819 -1.498 241 3HG2 VAL 56 3HG2 VAL 56 6.517 -5.165 0.092 242 H THR 57 H THR 57 7.325 -6.341 1.413 243 HA THR 57 HA THR 57 8.100 -9.024 0.995 244 HB THR 57 HB THR 57 9.519 -6.600 2.220 245 HG1 THR 57 1HG THR 57 8.646 -6.573 -0.054 246 1HG2 THR 57 1HG2 THR 57 11.561 -7.736 1.969 247 2HG2 THR 57 2HG2 THR 57 10.519 -9.084 2.481 248 3HG2 THR 57 3HG2 THR 57 10.900 -8.858 0.757 249 H GLU 58 H GLU 58 7.438 -7.085 3.946 250 HA GLU 58 HA GLU 58 8.352 -9.145 5.642 251 2HB GLU 58 2HB GLU 58 6.900 -7.671 7.333 252 2HG GLU 58 2HG GLU 58 9.129 -6.060 6.182 253 H ILE 59 H ILE 59 5.304 -8.331 4.036 254 HA ILE 59 HA ILE 59 3.533 -9.685 5.684 255 HB ILE 59 HB ILE 59 3.590 -8.850 2.822 256 2HG1 ILE 59 2HG1 ILE 59 2.983 -7.453 4.968 257 1HG2 ILE 59 1HG2 ILE 59 2.360 -10.633 2.229 258 2HG2 ILE 59 2HG2 ILE 59 1.934 -11.036 3.909 259 3HG2 ILE 59 3HG2 ILE 59 1.039 -9.762 3.046 260 1HD1 ILE 59 1HD1 ILE 59 0.865 -6.678 3.321 261 2HD1 ILE 59 2HD1 ILE 59 2.547 -6.110 3.186 262 3HD1 ILE 59 3HD1 ILE 59 1.987 -7.479 2.194 263 H LEU 60 H LEU 60 5.521 -10.846 2.894 264 HA LEU 60 HA LEU 60 4.702 -13.568 3.578 265 2HB LEU 60 2HB LEU 60 4.634 -13.899 1.408 266 HG LEU 60 HG LEU 60 4.406 -11.237 1.379 267 1HD1 LEU 60 1HD1 LEU 60 6.962 -11.738 -0.173 268 2HD1 LEU 60 2HD1 LEU 60 6.022 -10.225 -0.163 269 3HD1 LEU 60 3HD1 LEU 60 6.804 -10.798 1.330 270 1HD2 LEU 60 1HD2 LEU 60 4.903 -12.618 -1.248 271 2HD2 LEU 60 2HD2 LEU 60 3.532 -13.079 -0.211 272 3HD2 LEU 60 3HD2 LEU 60 3.668 -11.411 -0.817 273 H GLY 61 H GLY 61 7.602 -11.478 3.035 274 1HA GLY 61 1HA GLY 61 9.283 -11.795 4.851 275 2HA GLY 61 2HA GLY 61 9.189 -13.506 4.490 276 H PHE 62 H PHE 62 8.670 -12.327 1.503 277 HA PHE 62 HA PHE 62 11.519 -11.897 0.950 278 2HB PHE 62 2HB PHE 62 11.068 -14.151 0.229 279 HD1 PHE 62 1HD PHE 62 9.230 -15.285 1.255 280 HD2 PHE 62 2HD PHE 62 8.563 -12.721 -2.060 281 HE1 PHE 62 1HE PHE 62 6.904 -16.199 1.015 282 HE2 PHE 62 2HE PHE 62 6.237 -13.635 -2.300 283 HZ PHE 62 HZ PHE 62 5.436 -15.363 -0.759 284 H GLU 63 H GLU 63 11.967 -10.659 -1.022 285 HA GLU 63 HA GLU 63 10.104 -8.567 -1.313 286 2HB GLU 63 2HB GLU 63 12.573 -9.160 -3.002 287 2HG GLU 63 2HG GLU 63 11.846 -6.375 -2.305 288 H ASP 64 H ASP 64 8.247 -8.727 -2.490 289 HA ASP 64 HA ASP 64 7.959 -10.753 -4.419 290 2HB ASP 64 2HB ASP 64 5.713 -9.964 -4.634 291 H ASP 65 H ASP 65 6.278 -8.968 -6.254 292 HA ASP 65 HA ASP 65 7.998 -7.017 -7.306 293 2HB ASP 65 2HB ASP 65 7.782 -8.648 -9.594 294 H VAL 66 H VAL 66 5.517 -9.538 -8.186 295 HA VAL 66 HA VAL 66 4.119 -7.897 -9.985 296 HB VAL 66 HB VAL 66 4.164 -10.515 -9.416 297 1HG1 VAL 66 1HG1 VAL 66 2.035 -11.221 -8.432 298 2HG1 VAL 66 2HG1 VAL 66 2.978 -10.251 -7.275 299 3HG1 VAL 66 3HG1 VAL 66 1.597 -9.522 -8.130 300 1HG2 VAL 66 1HG2 VAL 66 1.964 -8.897 -10.727 301 2HG2 VAL 66 2HG2 VAL 66 3.347 -9.712 -11.498 302 3HG2 VAL 66 3HG2 VAL 66 2.028 -10.675 -10.789 303 H VAL 67 H VAL 67 3.748 -8.606 -6.467 304 HA VAL 67 HA VAL 67 1.389 -7.053 -6.219 305 HB VAL 67 HB VAL 67 1.418 -7.707 -4.046 306 1HG1 VAL 67 1HG1 VAL 67 3.505 -9.705 -4.905 307 2HG1 VAL 67 2HG1 VAL 67 2.038 -9.953 -3.928 308 3HG1 VAL 67 3HG1 VAL 67 1.903 -9.671 -5.680 309 1HG2 VAL 67 1HG2 VAL 67 3.589 -8.159 -2.769 310 2HG2 VAL 67 2HG2 VAL 67 4.424 -7.383 -4.136 311 3HG2 VAL 67 3HG2 VAL 67 3.233 -6.465 -3.184 312 H ILE 68 H ILE 68 4.913 -6.467 -5.767 313 HA ILE 68 HA ILE 68 4.634 -3.919 -4.642 314 HB ILE 68 HB ILE 68 6.878 -5.205 -6.197 315 2HG1 ILE 68 2HG1 ILE 68 5.975 -6.151 -3.928 316 1HG2 ILE 68 1HG2 ILE 68 6.889 -2.657 -4.554 317 2HG2 ILE 68 2HG2 ILE 68 8.329 -3.480 -5.200 318 3HG2 ILE 68 3HG2 ILE 68 7.120 -2.793 -6.313 319 1HD1 ILE 68 1HD1 ILE 68 8.060 -7.106 -3.622 320 2HD1 ILE 68 2HD1 ILE 68 8.328 -6.401 -5.235 321 3HD1 ILE 68 3HD1 ILE 68 8.911 -5.552 -3.783 322 H GLU 69 H GLU 69 4.993 -5.060 -8.052 323 HA GLU 69 HA GLU 69 5.121 -2.522 -9.148 324 2HB GLU 69 2HB GLU 69 3.894 -4.161 -11.080 325 2HG GLU 69 2HG GLU 69 6.817 -4.517 -10.825 326 H PHE 70 H PHE 70 2.355 -4.663 -8.309 327 HA PHE 70 HA PHE 70 0.355 -3.270 -9.603 328 2HB PHE 70 2HB PHE 70 -0.776 -4.200 -7.230 329 HD1 PHE 70 1HD PHE 70 -1.751 -4.148 -9.879 330 HD2 PHE 70 2HD PHE 70 0.410 -7.259 -7.965 331 HE1 PHE 70 1HE PHE 70 -2.768 -5.821 -11.449 332 HE2 PHE 70 2HE PHE 70 -0.608 -8.932 -9.534 333 HZ PHE 70 HZ PHE 70 -2.185 -8.194 -11.258 334 H ILE 71 H ILE 71 1.744 -2.811 -6.290 335 HA ILE 71 HA ILE 71 -0.046 -0.703 -5.658 336 HB ILE 71 HB ILE 71 2.566 -1.585 -4.425 337 2HG1 ILE 71 2HG1 ILE 71 0.023 -2.817 -4.472 338 1HG2 ILE 71 1HG2 ILE 71 1.046 0.795 -3.979 339 2HG2 ILE 71 2HG2 ILE 71 0.896 -0.257 -2.552 340 3HG2 ILE 71 3HG2 ILE 71 2.507 0.219 -3.141 341 1HD1 ILE 71 1HD1 ILE 71 1.851 -3.544 -2.256 342 2HD1 ILE 71 2HD1 ILE 71 1.248 -4.536 -3.605 343 3HD1 ILE 71 3HD1 ILE 71 2.644 -3.460 -3.847 344 H PHE 72 H PHE 72 3.359 -0.899 -6.854 345 HA PHE 72 HA PHE 72 3.828 1.849 -6.797 346 2HB PHE 72 2HB PHE 72 5.543 1.073 -8.638 347 HD1 PHE 72 1HD PHE 72 7.678 -0.142 -8.023 348 HD2 PHE 72 2HD PHE 72 4.451 0.318 -5.306 349 HE1 PHE 72 1HE PHE 72 9.223 -0.625 -6.106 350 HE2 PHE 72 2HE PHE 72 5.996 -0.165 -3.389 351 HZ PHE 72 HZ PHE 72 8.365 -0.631 -3.811 352 H ASN 73 H ASN 73 2.667 -0.332 -9.454 353 HA ASN 73 HA ASN 73 2.573 1.637 -11.380 354 2HB ASN 73 2HB ASN 73 0.638 -0.002 -12.277 355 1HD2 ASN 73 1HD2 ASN 73 3.577 -1.345 -10.804 356 2HD2 ASN 73 2HD2 ASN 73 4.463 -1.606 -12.269 357 H GLN 74 H GLN 74 0.230 0.503 -8.886 358 HA GLN 74 HA GLN 74 -1.903 2.053 -9.883 359 2HB GLN 74 2HB GLN 74 -2.726 1.547 -7.386 360 2HG GLN 74 2HG GLN 74 -3.858 0.414 -9.126 361 1HE2 GLN 74 1HE2 GLN 74 -2.049 -2.368 -9.223 362 2HE2 GLN 74 2HE2 GLN 74 -1.318 -2.225 -10.788 363 H LEU 75 H LEU 75 0.672 2.495 -7.427 364 HA LEU 75 HA LEU 75 -0.458 4.964 -6.496 365 2HB LEU 75 2HB LEU 75 1.777 5.063 -5.280 366 HG LEU 75 HG LEU 75 0.272 2.494 -4.752 367 1HD1 LEU 75 1HD1 LEU 75 1.083 2.610 -2.570 368 2HD1 LEU 75 2HD1 LEU 75 2.478 3.095 -3.563 369 3HD1 LEU 75 3HD1 LEU 75 1.518 4.330 -2.714 370 1HD2 LEU 75 1HD2 LEU 75 -0.639 5.290 -4.506 371 2HD2 LEU 75 2HD2 LEU 75 -1.569 3.776 -4.616 372 3HD2 LEU 75 3HD2 LEU 75 -0.875 4.284 -3.057 373 H GLU 76 H GLU 76 0.980 4.057 -9.359 374 HA GLU 76 HA GLU 76 2.692 6.338 -9.597 375 2HB GLU 76 2HB GLU 76 2.578 5.364 -12.123 376 2HG GLU 76 2HG GLU 76 4.116 3.445 -10.610 377 H VAL 77 H VAL 77 -0.626 5.875 -9.652 378 HA VAL 77 HA VAL 77 -1.051 7.839 -11.779 379 HB VAL 77 HB VAL 77 -3.282 7.090 -11.858 380 1HG1 VAL 77 1HG1 VAL 77 -1.101 5.247 -12.088 381 2HG1 VAL 77 2HG1 VAL 77 -2.528 4.368 -11.487 382 3HG1 VAL 77 3HG1 VAL 77 -2.626 5.295 -13.004 383 1HG2 VAL 77 1HG2 VAL 77 -4.443 6.424 -10.074 384 2HG2 VAL 77 2HG2 VAL 77 -3.364 5.030 -9.836 385 3HG2 VAL 77 3HG2 VAL 77 -2.966 6.598 -9.096 386 H LYS 78 H LYS 78 -3.340 9.104 -10.998 387 HA LYS 78 HA LYS 78 -2.410 10.522 -8.613 388 2HB LYS 78 2HB LYS 78 -3.792 12.384 -9.450 389 2HG LYS 78 2HG LYS 78 -1.337 11.670 -10.339 390 2HD LYS 78 2HD LYS 78 -2.901 11.959 -12.929 391 2HE LYS 78 2HE LYS 78 -0.340 10.453 -12.774 392 1HZ LYS 78 1HZ LYS 78 -1.820 11.916 -14.600 393 2HZ LYS 78 2HZ LYS 78 -0.363 12.641 -14.474 394 3HZ LYS 78 3HZ LYS 78 -0.456 11.060 -14.869 395 H ASN 79 H ASN 79 -4.799 8.308 -9.803 396 HA ASN 79 HA ASN 79 -6.207 8.654 -7.290 397 2HB ASN 79 2HB ASN 79 -8.127 7.769 -9.229 398 1HD2 ASN 79 1HD2 ASN 79 -6.699 10.812 -8.035 399 2HD2 ASN 79 2HD2 ASN 79 -8.101 11.399 -7.204 400 HA PRO 80 HA PRO 80 -5.103 4.327 -8.087 401 2HB PRO 80 2HB PRO 80 -3.178 4.289 -6.825 402 2HG PRO 80 2HG PRO 80 -2.857 6.151 -5.503 403 2HD PRO 80 2HD PRO 80 -4.108 7.694 -6.661 404 H ASP 81 H ASP 81 -6.093 2.313 -7.625 405 HA ASP 81 HA ASP 81 -8.606 2.822 -6.262 406 2HB ASP 81 2HB ASP 81 -7.717 0.628 -8.189 407 H SER 82 H SER 82 -7.908 2.471 -4.054 408 HA SER 82 HA SER 82 -6.163 0.640 -3.161 409 2HB SER 82 2HB SER 82 -6.866 1.981 -1.436 410 HG SER 82 HG SER 82 -9.430 1.812 -2.707 411 H LYS 83 H LYS 83 -9.344 0.092 -4.531 412 HA LYS 83 HA LYS 83 -9.862 -2.401 -3.308 413 2HB LYS 83 2HB LYS 83 -11.687 -2.548 -4.793 414 2HG LYS 83 2HG LYS 83 -12.754 -0.404 -4.592 415 2HD LYS 83 2HD LYS 83 -10.574 -0.608 -2.460 416 2HE LYS 83 2HE LYS 83 -12.248 1.559 -2.877 417 1HZ LYS 83 1HZ LYS 83 -13.731 -0.492 -1.602 418 2HZ LYS 83 2HZ LYS 83 -13.645 0.856 -0.685 419 3HZ LYS 83 3HZ LYS 83 -14.243 0.937 -2.202 420 H MET 84 H MET 84 -8.396 -1.415 -6.471 421 HA MET 84 HA MET 84 -7.935 -4.076 -7.237 422 2HB MET 84 2HB MET 84 -6.104 -2.474 -8.646 423 2HG MET 84 2HG MET 84 -8.380 -2.076 -10.105 424 1HE MET 84 1HE MET 84 -6.538 -6.285 -9.765 425 2HE MET 84 2HE MET 84 -6.622 -5.149 -8.398 426 3HE MET 84 3HE MET 84 -8.119 -5.799 -9.108 427 H MET 85 H MET 85 -6.141 -1.677 -5.327 428 HA MET 85 HA MET 85 -3.624 -2.814 -5.582 429 2HB MET 85 2HB MET 85 -4.446 -1.563 -2.963 430 2HG MET 85 2HG MET 85 -2.236 -1.094 -5.017 431 1HE MET 85 1HE MET 85 -2.056 1.942 -5.216 432 2HE MET 85 2HE MET 85 -3.548 0.977 -5.328 433 3HE MET 85 3HE MET 85 -3.495 2.416 -4.283 434 H GLN 86 H GLN 86 -6.157 -3.215 -3.004 435 HA GLN 86 HA GLN 86 -4.636 -5.157 -1.653 436 2HB GLN 86 2HB GLN 86 -7.174 -3.761 -1.311 437 2HG GLN 86 2HG GLN 86 -7.074 -6.714 -0.531 438 1HE2 GLN 86 1HE2 GLN 86 -9.717 -7.071 -0.256 439 2HE2 GLN 86 2HE2 GLN 86 -10.363 -6.156 1.066 440 H ILE 87 H ILE 87 -7.077 -5.195 -4.244 441 HA ILE 87 HA ILE 87 -7.776 -7.898 -4.057 442 HB ILE 87 HB ILE 87 -7.957 -5.749 -6.110 443 2HG1 ILE 87 2HG1 ILE 87 -9.577 -6.332 -4.115 444 1HG2 ILE 87 1HG2 ILE 87 -9.269 -7.811 -7.344 445 2HG2 ILE 87 2HG2 ILE 87 -7.660 -7.196 -7.791 446 3HG2 ILE 87 3HG2 ILE 87 -7.806 -8.617 -6.729 447 1HD1 ILE 87 1HD1 ILE 87 -11.431 -5.996 -6.224 448 2HD1 ILE 87 2HD1 ILE 87 -10.669 -4.708 -5.259 449 3HD1 ILE 87 3HD1 ILE 87 -9.930 -5.225 -6.795 450 H ASN 88 H ASN 88 -5.102 -6.164 -5.724 451 HA ASN 88 HA ASN 88 -4.220 -8.465 -7.069 452 2HB ASN 88 2HB ASN 88 -2.025 -6.997 -7.202 453 1HD2 ASN 88 1HD2 ASN 88 -3.616 -4.320 -7.813 454 2HD2 ASN 88 2HD2 ASN 88 -4.268 -4.604 -9.392 455 H LEU 89 H LEU 89 -3.571 -6.869 -3.922 456 HA LEU 89 HA LEU 89 -1.235 -8.300 -3.287 457 2HB LEU 89 2HB LEU 89 -1.954 -7.603 -0.912 458 HG LEU 89 HG LEU 89 -1.755 -5.299 -2.858 459 1HD1 LEU 89 1HD1 LEU 89 -0.191 -4.858 -0.575 460 2HD1 LEU 89 2HD1 LEU 89 -1.747 -4.099 -0.991 461 3HD1 LEU 89 3HD1 LEU 89 -1.712 -5.564 0.021 462 1HD2 LEU 89 1HD2 LEU 89 0.212 -7.411 -2.276 463 2HD2 LEU 89 2HD2 LEU 89 0.113 -6.266 -3.635 464 3HD2 LEU 89 3HD2 LEU 89 0.822 -5.750 -2.087 465 H THR 90 H THR 90 -4.746 -8.876 -2.716 466 HA THR 90 HA THR 90 -4.470 -11.085 -1.045 467 HB THR 90 HB THR 90 -6.660 -10.616 -3.125 468 HG1 THR 90 1HG THR 90 -7.422 -9.091 -1.481 469 1HG2 THR 90 1HG2 THR 90 -7.512 -11.125 -0.397 470 2HG2 THR 90 2HG2 THR 90 -7.839 -12.099 -1.851 471 3HG2 THR 90 3HG2 THR 90 -6.372 -12.402 -0.889 472 H GLY 91 H GLY 91 -3.813 -10.723 -4.465 473 1HA GLY 91 1HA GLY 91 -4.141 -13.458 -5.182 474 2HA GLY 91 2HA GLY 91 -3.280 -12.217 -6.070 475 H PHE 92 H PHE 92 -1.777 -11.732 -3.291 476 HA PHE 92 HA PHE 92 0.072 -13.987 -3.642 477 2HB PHE 92 2HB PHE 92 1.392 -11.673 -2.562 478 HD1 PHE 92 1HD PHE 92 0.425 -12.798 -5.999 479 HD2 PHE 92 2HD PHE 92 3.558 -11.962 -3.260 480 HE1 PHE 92 1HE PHE 92 2.117 -13.455 -7.733 481 HE2 PHE 92 2HE PHE 92 5.250 -12.620 -4.994 482 HZ PHE 92 HZ PHE 92 4.509 -13.359 -7.209 483 H LEU 93 H LEU 93 -1.097 -11.380 -1.405 484 HA LEU 93 HA LEU 93 0.101 -12.465 0.879 485 2HB LEU 93 2HB LEU 93 -1.182 -10.900 2.089 486 HG LEU 93 HG LEU 93 -1.175 -9.402 -0.499 487 1HD1 LEU 93 1HD1 LEU 93 -0.947 -7.585 0.800 488 2HD1 LEU 93 2HD1 LEU 93 -1.506 -8.663 2.103 489 3HD1 LEU 93 3HD1 LEU 93 0.235 -8.370 1.875 490 1HD2 LEU 93 1HD2 LEU 93 1.416 -9.122 0.142 491 2HD2 LEU 93 2HD2 LEU 93 1.174 -10.812 0.647 492 3HD2 LEU 93 3HD2 LEU 93 0.823 -10.324 -1.028 493 H ASN 94 H ASN 94 -2.003 -12.690 2.770 494 HA ASN 94 HA ASN 94 -2.910 -15.317 2.017 495 2HB ASN 94 2HB ASN 94 -3.757 -15.167 4.542 496 1HD2 ASN 94 1HD2 ASN 94 -0.480 -13.962 4.128 497 2HD2 ASN 94 2HD2 ASN 94 0.359 -15.456 4.383 498 H GLY 95 H GLY 95 -3.978 -12.081 1.920 499 1HA GLY 95 1HA GLY 95 -6.111 -11.634 0.939 500 2HA GLY 95 2HA GLY 95 -6.806 -12.934 1.886 501 H LYS 96 H LYS 96 -5.736 -12.472 4.453 502 HA LYS 96 HA LYS 96 -7.346 -10.244 5.240 503 2HB LYS 96 2HB LYS 96 -5.767 -11.320 7.387 504 2HG LYS 96 2HG LYS 96 -8.187 -10.367 7.300 505 2HD LYS 96 2HD LYS 96 -8.634 -13.239 6.370 506 2HE LYS 96 2HE LYS 96 -10.602 -11.188 7.487 507 1HZ LYS 96 1HZ LYS 96 -11.729 -13.644 6.896 508 2HZ LYS 96 2HZ LYS 96 -12.099 -12.190 6.252 509 3HZ LYS 96 3HZ LYS 96 -10.970 -13.132 5.544 510 H ASN 97 H ASN 97 -3.894 -10.952 4.737 511 HA ASN 97 HA ASN 97 -2.972 -8.724 6.155 512 2HB ASN 97 2HB ASN 97 -1.233 -9.487 3.919 513 1HD2 ASN 97 1HD2 ASN 97 0.075 -11.509 5.599 514 2HD2 ASN 97 2HD2 ASN 97 0.845 -10.666 6.902 515 H ALA 98 H ALA 98 -4.171 -9.355 2.856 516 HA ALA 98 HA ALA 98 -3.108 -7.065 1.615 517 1HB ALA 98 1HB ALA 98 -3.937 -9.061 0.416 518 2HB ALA 98 2HB ALA 98 -5.590 -8.712 0.977 519 3HB ALA 98 3HB ALA 98 -4.770 -7.587 -0.131 520 H ARG 99 H ARG 99 -6.246 -7.772 3.272 521 HA ARG 99 HA ARG 99 -7.320 -5.266 2.727 522 2HB ARG 99 2HB ARG 99 -8.548 -6.121 5.098 523 2HG ARG 99 2HG ARG 99 -9.241 -7.303 2.384 524 2HD ARG 99 2HD ARG 99 -10.765 -7.933 4.170 525 HE ARG 99 HE ARG 99 -10.326 -5.198 5.133 526 1HH1 ARG 99 2HH2 ARG 99 -12.437 -8.010 5.278 527 2HH1 ARG 99 1HH2 ARG 99 -13.111 -7.583 6.816 528 1HH2 ARG 99 2HH1 ARG 99 -11.215 -4.634 7.161 529 2HH2 ARG 99 1HH1 ARG 99 -12.411 -5.650 7.894 530 H GLU 100 H GLU 100 -5.432 -6.630 5.481 531 HA GLU 100 HA GLU 100 -5.716 -4.319 7.065 532 2HB GLU 100 2HB GLU 100 -3.593 -5.494 8.200 533 2HG GLU 100 2HG GLU 100 -5.196 -7.129 9.291 534 H PHE 101 H PHE 101 -3.370 -5.483 4.630 535 HA PHE 101 HA PHE 101 -1.296 -3.732 5.190 536 2HB PHE 101 2HB PHE 101 -2.436 -5.107 2.703 537 HD1 PHE 101 1HD PHE 101 -2.266 -3.189 1.151 538 HD2 PHE 101 2HD PHE 101 1.126 -4.662 3.233 539 HE1 PHE 101 1HE PHE 101 -0.758 -1.971 -0.443 540 HE2 PHE 101 2HE PHE 101 2.634 -3.444 1.639 541 HZ PHE 101 HZ PHE 101 1.674 -2.113 -0.180 542 H MET 102 H MET 102 -4.191 -3.361 3.051 543 HA MET 102 HA MET 102 -3.416 -0.894 2.033 544 2HB MET 102 2HB MET 102 -6.050 -0.757 1.686 545 2HG MET 102 2HG MET 102 -5.952 -2.465 -0.112 546 1HE MET 102 1HE MET 102 -6.153 -0.395 -1.323 547 2HE MET 102 2HE MET 102 -5.610 0.692 -0.023 548 3HE MET 102 3HE MET 102 -4.884 0.811 -1.644 549 H GLY 103 H GLY 103 -5.097 -1.865 5.026 550 1HA GLY 103 1HA GLY 103 -6.010 0.780 5.672 551 2HA GLY 103 2HA GLY 103 -6.032 -0.644 6.694 552 H GLU 104 H GLU 104 -2.953 -0.017 5.187 553 HA GLU 104 HA GLU 104 -2.077 1.350 7.609 554 2HB GLU 104 2HB GLU 104 0.135 -0.026 7.179 555 2HG GLU 104 2HG GLU 104 -1.720 -2.024 8.174 556 H LEU 105 H LEU 105 -1.766 0.740 4.110 557 HA LEU 105 HA LEU 105 0.223 2.869 3.917 558 2HB LEU 105 2HB LEU 105 -0.232 0.411 2.559 559 HG LEU 105 HG LEU 105 0.126 1.099 0.241 560 1HD1 LEU 105 1HD1 LEU 105 -2.050 0.875 -0.157 561 2HD1 LEU 105 2HD1 LEU 105 -2.304 1.009 1.600 562 3HD1 LEU 105 3HD1 LEU 105 -2.421 2.457 0.570 563 1HD2 LEU 105 1HD2 LEU 105 -0.922 3.799 0.407 564 2HD2 LEU 105 2HD2 LEU 105 0.599 3.630 1.315 565 3HD2 LEU 105 3HD2 LEU 105 0.536 3.184 -0.408 566 H TRP 106 H TRP 106 -3.147 1.996 3.143 567 HA TRP 106 HA TRP 106 -3.675 4.092 1.377 568 2HB TRP 106 2HB TRP 106 -5.665 2.891 3.294 569 HD1 TRP 106 HD TRP 106 -7.857 4.208 2.773 570 HE1 TRP 106 1HE TRP 106 -9.129 5.189 0.679 571 HE3 TRP 106 3HE TRP 106 -4.269 3.011 -0.626 572 HZ2 TRP 106 2HZ TRP 106 -8.506 5.348 -2.102 573 HZ3 TRP 106 3HZ TRP 106 -4.680 3.614 -3.009 574 HH2 TRP 106 HH TRP 106 -6.711 4.742 -3.767 575 HA PRO 107 HA PRO 107 -4.680 6.418 5.406 576 2HB PRO 107 2HB PRO 107 -5.297 5.149 7.225 577 2HG PRO 107 2HG PRO 107 -4.652 2.938 7.120 578 2HD PRO 107 2HD PRO 107 -4.459 2.675 4.845 579 H LEU 108 H LEU 108 -1.588 4.932 5.008 580 HA LEU 108 HA LEU 108 -0.060 6.872 6.280 581 2HB LEU 108 2HB LEU 108 1.165 5.733 3.894 582 HG LEU 108 HG LEU 108 1.920 6.247 6.574 583 1HD1 LEU 108 1HD1 LEU 108 2.972 4.074 7.192 584 2HD1 LEU 108 2HD1 LEU 108 1.194 4.066 7.264 585 3HD1 LEU 108 3HD1 LEU 108 2.031 3.297 5.895 586 1HD2 LEU 108 1HD2 LEU 108 3.763 4.753 4.778 587 2HD2 LEU 108 2HD2 LEU 108 3.105 6.293 4.176 588 3HD2 LEU 108 3HD2 LEU 108 4.016 6.252 5.705 589 H LEU 109 H LEU 109 -1.425 6.697 2.953 590 HA LEU 109 HA LEU 109 -0.116 9.075 2.113 591 2HB LEU 109 2HB LEU 109 -1.375 8.840 0.116 592 HG LEU 109 HG LEU 109 -0.627 6.145 1.253 593 1HD1 LEU 109 1HD1 LEU 109 -2.111 5.275 -0.208 594 2HD1 LEU 109 2HD1 LEU 109 -2.174 6.752 -1.200 595 3HD1 LEU 109 3HD1 LEU 109 -0.818 5.614 -1.384 596 1HD2 LEU 109 1HD2 LEU 109 1.262 7.525 0.788 597 2HD2 LEU 109 2HD2 LEU 109 1.150 6.313 -0.512 598 3HD2 LEU 109 3HD2 LEU 109 0.614 7.986 -0.805 599 H LEU 110 H LEU 110 -3.190 8.254 3.718 600 HA LEU 110 HA LEU 110 -4.578 10.590 3.248 601 2HB LEU 110 2HB LEU 110 -5.443 9.968 5.690 602 HG LEU 110 HG LEU 110 -7.112 9.506 4.239 603 1HD1 LEU 110 1HD1 LEU 110 -6.119 9.745 2.169 604 2HD1 LEU 110 2HD1 LEU 110 -4.959 8.425 2.450 605 3HD1 LEU 110 3HD1 LEU 110 -6.668 8.051 2.121 606 1HD2 LEU 110 1HD2 LEU 110 -6.419 7.346 5.679 607 2HD2 LEU 110 2HD2 LEU 110 -7.834 7.394 4.599 608 3HD2 LEU 110 3HD2 LEU 110 -6.313 6.655 4.042 609 H SER 111 H SER 111 -2.036 9.831 5.684 610 HA SER 111 HA SER 111 -2.301 12.390 6.881 611 2HB SER 111 2HB SER 111 0.134 10.625 7.205 612 HG SER 111 HG SER 111 -0.127 11.306 9.416 613 H ALA 112 H ALA 112 -0.140 10.783 4.493 614 HA ALA 112 HA ALA 112 1.790 12.795 4.349 615 1HB ALA 112 1HB ALA 112 1.055 10.342 2.983 616 2HB ALA 112 2HB ALA 112 1.541 11.583 1.805 617 3HB ALA 112 3HB ALA 112 2.649 11.121 3.119 618 H GLN 113 H GLN 113 -1.285 12.245 2.519 619 HA GLN 113 HA GLN 113 -0.954 14.372 0.793 620 2HB GLN 113 2HB GLN 113 -2.623 12.545 0.510 621 2HG GLN 113 2HG GLN 113 -3.869 13.924 2.912 622 1HE2 GLN 113 1HE2 GLN 113 -4.608 11.349 0.558 623 2HE2 GLN 113 2HE2 GLN 113 -6.290 11.713 0.357 624 H GLU 114 H GLU 114 -1.557 14.312 4.199 625 HA GLU 114 HA GLU 114 -2.886 16.858 4.187 626 2HB GLU 114 2HB GLU 114 -2.735 16.543 6.727 627 2HG GLU 114 2HG GLU 114 -4.046 14.072 6.152 628 H ASN 115 H ASN 115 0.308 15.694 3.973 629 HA ASN 115 HA ASN 115 1.458 17.793 5.541 630 2HB ASN 115 2HB ASN 115 3.329 16.455 3.728 631 1HD2 ASN 115 1HD2 ASN 115 2.046 15.465 6.880 632 2HD2 ASN 115 2HD2 ASN 115 3.407 15.942 7.840 633 H ILE 116 H ILE 116 3.740 18.349 3.786 634 HA ILE 116 HA ILE 116 2.365 19.833 1.656 635 HB ILE 116 HB ILE 116 3.519 21.023 3.653 636 2HG1 ILE 116 2HG1 ILE 116 3.702 22.925 2.359 637 1HG2 ILE 116 1HG2 ILE 116 5.937 20.422 1.927 638 2HG2 ILE 116 2HG2 ILE 116 5.883 21.495 3.345 639 3HG2 ILE 116 3HG2 ILE 116 5.618 19.746 3.542 640 1HD1 ILE 116 1HD1 ILE 116 4.221 22.640 -0.207 641 2HD1 ILE 116 2HD1 ILE 116 5.566 22.588 0.958 642 3HD1 ILE 116 3HD1 ILE 116 4.911 21.075 0.287 643 H ALA 117 H ALA 117 5.303 17.957 2.586 644 HA ALA 117 HA ALA 117 6.138 17.855 -0.181 645 1HB ALA 117 1HB ALA 117 7.241 16.996 2.490 646 2HB ALA 117 2HB ALA 117 7.907 16.294 0.997 647 3HB ALA 117 3HB ALA 117 7.964 18.054 1.255 648 H GLY 118 H GLY 118 3.692 16.426 1.500 649 1HA GLY 118 1HA GLY 118 2.412 14.629 1.031 650 2HA GLY 118 2HA GLY 118 3.432 14.282 -0.350 651 H ILE 119 H ILE 119 4.531 14.592 3.069 652 HA ILE 119 HA ILE 119 5.211 11.734 2.964 653 HB ILE 119 HB ILE 119 6.763 14.132 3.715 654 2HG1 ILE 119 2HG1 ILE 119 7.514 11.368 2.715 655 1HG2 ILE 119 1HG2 ILE 119 7.057 11.550 5.277 656 2HG2 ILE 119 2HG2 ILE 119 8.120 12.975 5.370 657 3HG2 ILE 119 3HG2 ILE 119 6.429 13.088 5.916 658 1HD1 ILE 119 1HD1 ILE 119 6.464 12.333 0.869 659 2HD1 ILE 119 2HD1 ILE 119 6.819 13.993 1.404 660 3HD1 ILE 119 3HD1 ILE 119 8.105 12.996 0.683 661 HA PRO 120 HA PRO 120 2.587 11.474 6.405 662 2HB PRO 120 2HB PRO 120 1.909 9.356 5.808 663 2HG PRO 120 2HG PRO 120 3.314 8.274 4.333 664 2HD PRO 120 2HD PRO 120 4.335 10.081 3.343 665 H SER 121 H SER 121 2.518 11.551 8.669 666 HA SER 121 HA SER 121 4.887 12.462 9.745 667 2HB SER 121 2HB SER 121 2.379 12.711 10.522 668 HG SER 121 HG SER 121 2.175 10.385 11.038 669 H ALA 122 H ALA 122 3.861 9.260 9.020 670 HA ALA 122 HA ALA 122 4.899 7.791 11.129 671 1HB ALA 122 1HB ALA 122 5.236 6.085 9.126 672 2HB ALA 122 2HB ALA 122 3.603 6.566 9.645 673 3HB ALA 122 3HB ALA 122 4.338 7.320 8.211 674 H PHE 123 H PHE 123 6.465 9.572 8.502 675 HA PHE 123 HA PHE 123 9.024 8.367 9.262 676 2HB PHE 123 2HB PHE 123 9.726 9.458 7.061 677 HD1 PHE 123 1HD PHE 123 6.393 8.818 5.918 678 HD2 PHE 123 2HD PHE 123 10.023 6.935 7.053 679 HE1 PHE 123 1HE PHE 123 5.686 6.730 4.716 680 HE2 PHE 123 2HE PHE 123 9.316 4.848 5.852 681 HZ PHE 123 HZ PHE 123 7.156 4.770 4.699 682 H LEU 124 H LEU 124 7.281 11.490 8.770 683 HA LEU 124 HA LEU 124 9.262 13.278 9.150 684 2HB LEU 124 2HB LEU 124 7.565 14.763 10.086 685 HG LEU 124 HG LEU 124 6.420 12.998 7.904 686 1HD1 LEU 124 1HD1 LEU 124 5.567 15.812 8.064 687 2HD1 LEU 124 2HD1 LEU 124 4.631 14.338 7.715 688 3HD1 LEU 124 3HD1 LEU 124 4.999 14.782 9.400 689 1HD2 LEU 124 1HD2 LEU 124 7.193 14.880 6.420 690 2HD2 LEU 124 2HD2 LEU 124 8.110 15.504 7.812 691 3HD2 LEU 124 3HD2 LEU 124 8.485 13.896 7.147 692 H GLU 125 H GLU 125 7.231 12.005 11.889 693 HA GLU 125 HA GLU 125 9.001 12.995 13.799 694 2HB GLU 125 2HB GLU 125 7.033 10.699 14.166 695 2HG GLU 125 2HG GLU 125 8.745 11.661 16.008 696 H LEU 126 H LEU 126 8.228 9.497 13.153 697 HA LEU 126 HA LEU 126 10.547 8.578 14.411 698 2HB LEU 126 2HB LEU 126 9.915 6.513 12.855 699 HG LEU 126 HG LEU 126 8.203 7.484 15.158 700 1HD1 LEU 126 1HD1 LEU 126 6.858 5.715 14.978 701 2HD1 LEU 126 2HD1 LEU 126 7.493 5.536 13.325 702 3HD1 LEU 126 3HD1 LEU 126 8.214 4.607 14.661 703 1HD2 LEU 126 1HD2 LEU 126 10.613 5.675 14.981 704 2HD2 LEU 126 2HD2 LEU 126 10.388 7.143 15.960 705 3HD2 LEU 126 3HD2 LEU 126 9.500 5.656 16.370 706 H LYS 127 H LYS 127 12.602 8.991 13.808 707 HA LYS 127 HA LYS 127 13.348 9.997 11.363 708 2HB LYS 127 2HB LYS 127 14.829 10.286 13.153 709 2HG LYS 127 2HG LYS 127 15.748 7.573 13.654 710 2HD LYS 127 2HD LYS 127 14.197 8.917 15.776 711 2HE LYS 127 2HE LYS 127 17.201 8.637 15.728 712 1HZ LYS 127 1HZ LYS 127 16.755 8.971 17.844 713 2HZ LYS 127 2HZ LYS 127 15.140 8.890 17.611 714 3HZ LYS 127 3HZ LYS 127 15.991 7.529 17.913 715 H LYS 128 H LYS 128 13.208 9.145 9.365 716 HA LYS 128 HA LYS 128 12.668 6.425 8.951 717 2HB LYS 128 2HB LYS 128 11.995 8.329 7.470 718 2HG LYS 128 2HG LYS 128 14.830 8.093 6.375 719 2HD LYS 128 2HD LYS 128 12.672 10.206 5.935 720 2HE LYS 128 2HE LYS 128 15.472 10.123 5.346 721 1HZ LYS 128 1HZ LYS 128 15.271 10.386 2.932 722 2HZ LYS 128 2HZ LYS 128 14.982 8.856 3.422 723 3HZ LYS 128 3HZ LYS 128 13.739 9.825 2.993 724 H GLU 129 H GLU 129 14.011 4.850 7.745 725 HA GLU 129 HA GLU 129 16.467 4.557 8.978 726 2HB GLU 129 2HB GLU 129 16.091 3.149 6.381 727 2HG GLU 129 2HG GLU 129 16.916 2.577 9.202 728 H GLU 130 H GLU 130 18.552 4.044 7.489 729 HA GLU 130 HA GLU 130 18.867 6.437 5.856 730 2HB GLU 130 2HB GLU 130 21.436 5.523 6.410 731 2HG GLU 130 2HG GLU 130 19.634 7.684 7.320 732 H ILE 131 H ILE 131 17.948 5.322 3.973 733 HA ILE 131 HA ILE 131 18.041 4.116 2.124 734 HB ILE 131 HB ILE 131 20.790 4.985 2.646 735 2HG1 ILE 131 2HG1 ILE 131 20.552 6.091 0.613 736 1HG2 ILE 131 1HG2 ILE 131 20.331 2.779 0.620 737 2HG2 ILE 131 2HG2 ILE 131 21.843 3.672 0.911 738 3HG2 ILE 131 3HG2 ILE 131 21.191 2.593 2.167 739 1HD1 ILE 131 1HD1 ILE 131 18.750 3.780 -0.076 740 2HD1 ILE 131 2HD1 ILE 131 18.431 5.350 -0.852 741 3HD1 ILE 131 3HD1 ILE 131 20.015 4.563 -1.054 742 H LYS 132 H LYS 132 18.656 1.938 1.132 743 HA LYS 132 HA LYS 132 18.664 -0.263 1.288 744 2HB LYS 132 2HB LYS 132 20.194 -0.924 3.535 745 2HG LYS 132 2HG LYS 132 21.316 -0.200 0.799 746 2HD LYS 132 2HD LYS 132 21.907 -2.710 2.368 747 2HE LYS 132 2HE LYS 132 24.006 -1.025 1.057 748 1HZ LYS 132 1HZ LYS 132 24.215 -3.320 2.008 749 2HZ LYS 132 2HZ LYS 132 23.375 -3.863 0.717 750 3HZ LYS 132 3HZ LYS 132 24.811 -3.115 0.502 751 H GLN 133 H GLN 133 17.611 -2.068 2.335 752 HA GLN 133 HA GLN 133 16.367 -1.476 4.862 753 2HB GLN 133 2HB GLN 133 14.777 -0.567 3.178 754 2HG GLN 133 2HG GLN 133 15.549 -2.536 1.503 755 1HE2 GLN 133 1HE2 GLN 133 15.027 -4.510 0.766 756 2HE2 GLN 133 2HE2 GLN 133 13.955 -5.622 1.552 757 H ARG 134 H ARG 134 15.711 -3.389 6.008 758 HA ARG 134 HA ARG 134 17.213 -5.621 5.372 759 2HB ARG 134 2HB ARG 134 14.794 -5.975 7.118 760 2HG ARG 134 2HG ARG 134 16.699 -6.687 8.714 761 2HD ARG 134 2HD ARG 134 16.611 -8.194 6.061 762 HE ARG 134 HE ARG 134 17.824 -8.834 8.520 763 1HH1 ARG 134 2HH2 ARG 134 15.400 -10.262 6.406 764 2HH1 ARG 134 1HH2 ARG 134 15.762 -11.890 6.879 765 1HH2 ARG 134 2HH1 ARG 134 18.302 -10.979 9.144 766 2HH2 ARG 134 1HH1 ARG 134 17.424 -12.300 8.447 Start of MODEL 9 1 1H SER 24 H SER 24 -8.055 -8.060 -10.176 2 HA SER 24 HA SER 24 -9.531 -8.382 -11.941 3 2HB SER 24 2HB SER 24 -8.753 -6.354 -13.200 4 HG SER 24 HG SER 24 -6.728 -6.311 -13.867 5 H HIS 25 H HIS 25 -7.669 -9.974 -10.455 6 HA HIS 25 HA HIS 25 -7.015 -11.935 -12.514 7 2HB HIS 25 2HB HIS 25 -5.168 -10.776 -10.445 8 HD1 HIS 25 1HD HIS 25 -6.159 -14.154 -11.620 9 HD2 HIS 25 2HD HIS 25 -2.726 -12.305 -10.076 10 HE1 HIS 25 1HE HIS 25 -4.594 -16.037 -10.905 11 H MET 26 H MET 26 -7.578 -11.141 -9.043 12 HA MET 26 HA MET 26 -8.559 -13.877 -8.757 13 2HB MET 26 2HB MET 26 -6.954 -13.897 -7.087 14 2HG MET 26 2HG MET 26 -6.183 -11.646 -6.011 15 1HE MET 26 1HE MET 26 -4.361 -10.204 -6.895 16 2HE MET 26 2HE MET 26 -3.289 -10.633 -8.249 17 3HE MET 26 3HE MET 26 -4.790 -9.728 -8.556 18 H GLN 27 H GLN 27 -8.956 -10.463 -7.581 19 HA GLN 27 HA GLN 27 -10.723 -9.303 -7.080 20 2HB GLN 27 2HB GLN 27 -12.287 -11.544 -8.434 21 2HG GLN 27 2HG GLN 27 -13.890 -10.365 -7.097 22 1HE2 GLN 27 1HE2 GLN 27 -14.536 -8.665 -5.919 23 2HE2 GLN 27 2HE2 GLN 27 -13.702 -7.151 -5.797 24 H LEU 28 H LEU 28 -11.834 -8.984 -5.146 25 HA LEU 28 HA LEU 28 -13.181 -11.031 -3.790 26 2HB LEU 28 2HB LEU 28 -11.227 -12.101 -3.215 27 HG LEU 28 HG LEU 28 -9.250 -10.954 -2.169 28 1HD1 LEU 28 1HD1 LEU 28 -8.132 -10.827 -4.165 29 2HD1 LEU 28 2HD1 LEU 28 -9.587 -11.721 -4.668 30 3HD1 LEU 28 3HD1 LEU 28 -9.460 -9.974 -4.988 31 1HD2 LEU 28 1HD2 LEU 28 -10.707 -8.761 -1.937 32 2HD2 LEU 28 2HD2 LEU 28 -8.942 -8.688 -2.160 33 3HD2 LEU 28 3HD2 LEU 28 -10.027 -8.417 -3.546 34 H LYS 29 H LYS 29 -13.069 -10.114 -1.167 35 HA LYS 29 HA LYS 29 -14.235 -7.485 -1.536 36 2HB LYS 29 2HB LYS 29 -14.297 -9.537 0.677 37 2HG LYS 29 2HG LYS 29 -15.488 -6.724 0.694 38 2HD LYS 29 2HD LYS 29 -15.423 -8.415 3.146 39 2HE LYS 29 2HE LYS 29 -17.360 -6.518 1.770 40 1HZ LYS 29 1HZ LYS 29 -17.959 -7.822 4.303 41 2HZ LYS 29 2HZ LYS 29 -18.974 -7.080 3.261 42 3HZ LYS 29 3HZ LYS 29 -18.378 -8.559 2.909 43 H PHE 30 H PHE 30 -13.643 -5.650 -0.186 44 HA PHE 30 HA PHE 30 -10.887 -5.873 0.802 45 2HB PHE 30 2HB PHE 30 -10.503 -4.363 -0.925 46 HD1 PHE 30 1HD PHE 30 -11.428 -5.042 -2.980 47 HD2 PHE 30 2HD PHE 30 -13.831 -2.889 -0.224 48 HE1 PHE 30 1HE PHE 30 -13.200 -4.772 -4.736 49 HE2 PHE 30 2HE PHE 30 -15.603 -2.619 -1.980 50 HZ PHE 30 HZ PHE 30 -15.267 -3.564 -4.216 51 H ALA 31 H ALA 31 -10.654 -3.300 1.900 52 HA ALA 31 HA ALA 31 -12.374 -3.616 4.211 53 1HB ALA 31 1HB ALA 31 -10.494 -1.369 4.219 54 2HB ALA 31 2HB ALA 31 -10.607 -2.763 5.322 55 3HB ALA 31 3HB ALA 31 -9.703 -2.907 3.795 56 H GLU 32 H GLU 32 -12.500 -0.928 5.095 57 HA GLU 32 HA GLU 32 -14.304 0.137 3.066 58 2HB GLU 32 2HB GLU 32 -15.378 -0.562 5.209 59 2HG GLU 32 2HG GLU 32 -13.702 1.690 6.416 60 H CYS 33 H CYS 33 -11.818 0.959 5.555 61 HA CYS 33 HA CYS 33 -11.745 3.668 5.204 62 2HB CYS 33 2HB CYS 33 -9.425 3.556 6.035 63 HG CYS 33 HG CYS 33 -10.864 3.659 7.989 64 H LEU 34 H LEU 34 -10.877 1.066 3.028 65 HA LEU 34 HA LEU 34 -8.938 2.361 1.488 66 2HB LEU 34 2HB LEU 34 -9.326 0.656 -0.118 67 HG LEU 34 HG LEU 34 -10.175 -0.905 2.280 68 1HD1 LEU 34 1HD1 LEU 34 -7.732 -1.478 0.669 69 2HD1 LEU 34 2HD1 LEU 34 -8.933 -2.586 1.375 70 3HD1 LEU 34 3HD1 LEU 34 -9.319 -1.686 -0.111 71 1HD2 LEU 34 1HD2 LEU 34 -7.578 0.638 2.113 72 2HD2 LEU 34 2HD2 LEU 34 -8.817 0.705 3.389 73 3HD2 LEU 34 3HD2 LEU 34 -7.833 -0.764 3.182 74 H GLU 35 H GLU 35 -12.281 3.034 1.969 75 HA GLU 35 HA GLU 35 -12.567 4.221 -0.639 76 2HB GLU 35 2HB GLU 35 -14.882 4.589 -0.021 77 2HG GLU 35 2HG GLU 35 -14.595 2.038 1.462 78 H LYS 36 H LYS 36 -10.704 5.126 1.749 79 HA LYS 36 HA LYS 36 -11.758 7.729 2.352 80 2HB LYS 36 2HB LYS 36 -9.357 7.914 3.372 81 2HG LYS 36 2HG LYS 36 -10.461 5.834 4.975 82 2HD LYS 36 2HD LYS 36 -10.111 8.746 5.024 83 2HE LYS 36 2HE LYS 36 -12.780 7.709 5.654 84 1HZ LYS 36 1HZ LYS 36 -12.965 8.541 7.794 85 2HZ LYS 36 2HZ LYS 36 -11.599 7.647 7.855 86 3HZ LYS 36 3HZ LYS 36 -11.508 9.276 7.772 87 H LYS 37 H LYS 37 -10.298 6.304 -0.345 88 HA LYS 37 HA LYS 37 -9.247 7.076 -2.130 89 2HB LYS 37 2HB LYS 37 -9.889 9.436 -2.827 90 2HG LYS 37 2HG LYS 37 -11.378 7.042 -2.732 91 2HD LYS 37 2HD LYS 37 -12.695 9.075 -1.126 92 2HE LYS 37 2HE LYS 37 -14.143 8.210 -3.676 93 1HZ LYS 37 1HZ LYS 37 -16.011 8.823 -2.668 94 2HZ LYS 37 2HZ LYS 37 -15.218 8.548 -1.268 95 3HZ LYS 37 3HZ LYS 37 -15.332 10.068 -1.857 96 H VAL 38 H VAL 38 -7.670 8.922 -2.989 97 HA VAL 38 HA VAL 38 -6.144 10.131 -0.863 98 HB VAL 38 HB VAL 38 -4.092 9.010 -1.340 99 1HG1 VAL 38 1HG1 VAL 38 -6.255 6.904 -1.008 100 2HG1 VAL 38 2HG1 VAL 38 -4.556 6.787 -0.489 101 3HG1 VAL 38 3HG1 VAL 38 -5.648 7.956 0.292 102 1HG2 VAL 38 1HG2 VAL 38 -4.052 7.023 -2.901 103 2HG2 VAL 38 2HG2 VAL 38 -5.645 7.548 -3.495 104 3HG2 VAL 38 3HG2 VAL 38 -4.228 8.607 -3.692 105 H ASP 39 H ASP 39 -3.782 10.396 -2.671 106 HA ASP 39 HA ASP 39 -4.556 11.372 -5.129 107 2HB ASP 39 2HB ASP 39 -3.911 13.686 -3.290 108 H MET 40 H MET 40 -2.545 10.387 -5.739 109 HA MET 40 HA MET 40 -0.196 10.689 -4.318 110 2HB MET 40 2HB MET 40 0.857 9.835 -6.448 111 2HG MET 40 2HG MET 40 -0.861 7.890 -6.840 112 1HE MET 40 1HE MET 40 -0.411 7.830 -2.462 113 2HE MET 40 2HE MET 40 0.388 9.338 -2.966 114 3HE MET 40 3HE MET 40 -1.291 9.014 -3.458 115 H SER 41 H SER 41 -1.839 12.822 -6.586 116 HA SER 41 HA SER 41 0.446 14.258 -7.362 117 2HB SER 41 2HB SER 41 -2.072 15.783 -7.388 118 HG SER 41 HG SER 41 -1.562 15.960 -9.578 119 H LYS 42 H LYS 42 -1.084 13.938 -4.371 120 HA LYS 42 HA LYS 42 -0.202 16.622 -3.561 121 2HB LYS 42 2HB LYS 42 -1.988 16.805 -2.071 122 2HG LYS 42 2HG LYS 42 -4.051 16.091 -3.403 123 2HD LYS 42 2HD LYS 42 -2.816 17.300 -5.615 124 2HE LYS 42 2HE LYS 42 -4.132 18.408 -3.104 125 1HZ LYS 42 1HZ LYS 42 -3.446 19.912 -5.530 126 2HZ LYS 42 2HZ LYS 42 -4.183 20.488 -4.192 127 3HZ LYS 42 3HZ LYS 42 -2.617 20.032 -4.128 128 H VAL 43 H VAL 43 -0.373 13.114 -2.854 129 HA VAL 43 HA VAL 43 1.615 13.559 -0.738 130 HB VAL 43 HB VAL 43 0.086 12.421 0.424 131 1HG1 VAL 43 1HG1 VAL 43 -1.616 12.674 -1.349 132 2HG1 VAL 43 2HG1 VAL 43 -1.012 11.190 -2.126 133 3HG1 VAL 43 3HG1 VAL 43 -1.750 11.111 -0.509 134 1HG2 VAL 43 1HG2 VAL 43 1.086 10.081 -1.234 135 2HG2 VAL 43 2HG2 VAL 43 1.926 10.795 0.164 136 3HG2 VAL 43 3HG2 VAL 43 0.352 9.994 0.385 137 H ASN 44 H ASN 44 3.478 12.143 -0.671 138 HA ASN 44 HA ASN 44 4.268 11.427 -3.335 139 2HB ASN 44 2HB ASN 44 6.385 10.731 -1.667 140 1HD2 ASN 44 1HD2 ASN 44 7.954 12.693 -1.383 141 2HD2 ASN 44 2HD2 ASN 44 8.052 13.772 -2.735 142 H LEU 45 H LEU 45 4.512 9.261 -4.036 143 HA LEU 45 HA LEU 45 3.668 7.226 -2.122 144 2HB LEU 45 2HB LEU 45 2.847 7.754 -4.655 145 HG LEU 45 HG LEU 45 3.516 6.093 -6.174 146 1HD1 LEU 45 1HD1 LEU 45 6.292 6.547 -5.415 147 2HD1 LEU 45 2HD1 LEU 45 5.384 7.106 -6.839 148 3HD1 LEU 45 3HD1 LEU 45 5.311 8.029 -5.320 149 1HD2 LEU 45 1HD2 LEU 45 5.640 4.654 -5.025 150 2HD2 LEU 45 2HD2 LEU 45 4.343 4.667 -3.806 151 3HD2 LEU 45 3HD2 LEU 45 4.017 4.058 -5.447 152 H GLU 46 H GLU 46 6.462 8.513 -3.778 153 HA GLU 46 HA GLU 46 7.980 6.209 -3.927 154 2HB GLU 46 2HB GLU 46 9.716 8.411 -3.365 155 2HG GLU 46 2HG GLU 46 9.364 8.306 -6.142 156 H VAL 47 H VAL 47 7.375 8.527 -1.255 157 HA VAL 47 HA VAL 47 9.372 7.460 0.447 158 HB VAL 47 HB VAL 47 8.084 8.740 2.184 159 1HG1 VAL 47 1HG1 VAL 47 9.620 10.232 1.536 160 2HG1 VAL 47 2HG1 VAL 47 9.488 9.737 -0.168 161 3HG1 VAL 47 3HG1 VAL 47 8.362 10.945 0.497 162 1HG2 VAL 47 1HG2 VAL 47 6.490 10.280 0.329 163 2HG2 VAL 47 2HG2 VAL 47 6.010 8.566 0.280 164 3HG2 VAL 47 3HG2 VAL 47 6.000 9.449 1.826 165 H ILE 48 H ILE 48 6.537 6.119 -0.791 166 HA ILE 48 HA ILE 48 6.182 4.479 1.620 167 HB ILE 48 HB ILE 48 4.113 4.441 -0.481 168 2HG1 ILE 48 2HG1 ILE 48 3.160 6.552 -0.035 169 1HG2 ILE 48 1HG2 ILE 48 3.072 3.444 1.203 170 2HG2 ILE 48 2HG2 ILE 48 4.409 3.832 2.312 171 3HG2 ILE 48 3HG2 ILE 48 3.075 4.990 2.086 172 1HD1 ILE 48 1HD1 ILE 48 3.403 6.967 2.272 173 2HD1 ILE 48 2HD1 ILE 48 5.149 6.622 2.247 174 3HD1 ILE 48 3HD1 ILE 48 4.532 8.141 1.556 175 H LYS 49 H LYS 49 7.726 4.588 -1.339 176 HA LYS 49 HA LYS 49 7.069 2.113 -2.461 177 2HB LYS 49 2HB LYS 49 9.394 2.397 -3.522 178 2HG LYS 49 2HG LYS 49 8.543 4.619 -4.676 179 2HD LYS 49 2HD LYS 49 8.210 2.098 -5.374 180 2HE LYS 49 2HE LYS 49 5.420 2.105 -5.435 181 1HZ LYS 49 1HZ LYS 49 6.052 0.580 -3.332 182 2HZ LYS 49 2HZ LYS 49 6.169 0.106 -4.890 183 3HZ LYS 49 3HZ LYS 49 7.488 0.665 -4.105 184 HA PRO 50 HA PRO 50 10.566 0.508 0.300 185 2HB PRO 50 2HB PRO 50 12.225 1.996 0.879 186 2HG PRO 50 2HG PRO 50 11.630 4.217 0.706 187 2HD PRO 50 2HD PRO 50 9.938 4.067 -0.843 188 H TRP 51 H TRP 51 7.995 2.327 1.719 189 HA TRP 51 HA TRP 51 7.800 0.644 4.012 190 2HB TRP 51 2HB TRP 51 5.781 2.560 2.831 191 HD1 TRP 51 HD TRP 51 6.629 2.581 6.528 192 HE1 TRP 51 1HE TRP 51 4.623 1.725 8.013 193 HE3 TRP 51 3HE TRP 51 3.827 0.828 2.664 194 HZ2 TRP 51 2HZ TRP 51 2.145 0.439 7.420 195 HZ3 TRP 51 3HZ TRP 51 1.628 -0.214 3.203 196 HH2 TRP 51 HH TRP 51 0.777 -0.423 5.484 197 H ILE 52 H ILE 52 6.072 1.001 0.841 198 HA ILE 52 HA ILE 52 4.308 -1.145 1.331 199 HB ILE 52 HB ILE 52 5.048 0.611 -0.938 200 2HG1 ILE 52 2HG1 ILE 52 2.978 0.448 0.925 201 1HG2 ILE 52 1HG2 ILE 52 3.515 -0.814 -2.421 202 2HG2 ILE 52 2HG2 ILE 52 5.192 -1.361 -2.189 203 3HG2 ILE 52 3HG2 ILE 52 3.869 -2.142 -1.290 204 1HD1 ILE 52 1HD1 ILE 52 3.847 2.461 -0.327 205 2HD1 ILE 52 2HD1 ILE 52 2.968 1.889 -1.766 206 3HD1 ILE 52 3HD1 ILE 52 2.069 2.355 -0.301 207 H THR 53 H THR 53 7.363 -0.847 -0.605 208 HA THR 53 HA THR 53 7.450 -3.507 -1.423 209 HB THR 53 HB THR 53 9.708 -1.513 -0.857 210 HG1 THR 53 1HG THR 53 9.238 -1.270 -3.281 211 1HG2 THR 53 1HG2 THR 53 10.511 -3.854 -1.353 212 2HG2 THR 53 2HG2 THR 53 9.518 -3.849 -2.830 213 3HG2 THR 53 3HG2 THR 53 10.884 -2.720 -2.673 214 H LYS 54 H LYS 54 8.547 -1.948 1.615 215 HA LYS 54 HA LYS 54 9.809 -4.337 2.530 216 2HB LYS 54 2HB LYS 54 9.038 -1.788 3.981 217 2HG LYS 54 2HG LYS 54 11.290 -3.547 4.869 218 2HD LYS 54 2HD LYS 54 9.237 -2.620 6.790 219 2HE LYS 54 2HE LYS 54 11.748 -3.405 7.110 220 1HZ LYS 54 1HZ LYS 54 11.996 -0.571 6.393 221 2HZ LYS 54 2HZ LYS 54 13.136 -1.384 7.233 222 3HZ LYS 54 3HZ LYS 54 12.768 -1.834 5.707 223 H ARG 55 H ARG 55 6.613 -2.750 2.895 224 HA ARG 55 HA ARG 55 5.734 -4.411 4.933 225 2HB ARG 55 2HB ARG 55 3.408 -3.712 3.627 226 2HG ARG 55 2HG ARG 55 3.487 -1.593 4.983 227 2HD ARG 55 2HD ARG 55 3.859 -4.318 5.972 228 HE ARG 55 HE ARG 55 5.623 -2.519 7.226 229 1HH1 ARG 55 2HH2 ARG 55 2.892 -4.519 8.192 230 2HH1 ARG 55 1HH2 ARG 55 3.459 -4.732 9.814 231 1HH2 ARG 55 2HH1 ARG 55 6.370 -2.801 9.366 232 2HH2 ARG 55 1HH1 ARG 55 5.450 -3.748 10.487 233 H VAL 56 H VAL 56 5.275 -4.511 1.330 234 HA VAL 56 HA VAL 56 3.715 -6.823 1.292 235 HB VAL 56 HB VAL 56 4.453 -6.931 -1.089 236 1HG1 VAL 56 1HG1 VAL 56 2.929 -5.355 -1.627 237 2HG1 VAL 56 2HG1 VAL 56 2.736 -5.191 0.135 238 3HG1 VAL 56 3HG1 VAL 56 3.795 -4.070 -0.753 239 1HG2 VAL 56 1HG2 VAL 56 6.483 -5.046 -0.065 240 2HG2 VAL 56 2HG2 VAL 56 6.525 -6.130 -1.476 241 3HG2 VAL 56 3HG2 VAL 56 5.708 -4.552 -1.589 242 H THR 57 H THR 57 7.271 -6.285 1.273 243 HA THR 57 HA THR 57 7.906 -9.014 0.816 244 HB THR 57 HB THR 57 9.510 -6.688 2.005 245 HG1 THR 57 1HG THR 57 10.047 -6.453 -0.261 246 1HG2 THR 57 1HG2 THR 57 10.246 -9.402 1.825 247 2HG2 THR 57 2HG2 THR 57 10.878 -8.690 0.322 248 3HG2 THR 57 3HG2 THR 57 11.371 -8.024 1.897 249 H GLU 58 H GLU 58 7.371 -7.014 3.742 250 HA GLU 58 HA GLU 58 8.268 -9.066 5.460 251 2HB GLU 58 2HB GLU 58 6.852 -7.514 7.134 252 2HG GLU 58 2HG GLU 58 9.149 -6.003 6.007 253 H ILE 59 H ILE 59 5.213 -8.208 3.892 254 HA ILE 59 HA ILE 59 3.434 -9.479 5.593 255 HB ILE 59 HB ILE 59 3.460 -8.784 2.683 256 2HG1 ILE 59 2HG1 ILE 59 3.041 -7.210 4.756 257 1HG2 ILE 59 1HG2 ILE 59 2.232 -11.022 3.163 258 2HG2 ILE 59 2HG2 ILE 59 1.009 -9.988 3.940 259 3HG2 ILE 59 3HG2 ILE 59 1.409 -9.756 2.222 260 1HD1 ILE 59 1HD1 ILE 59 0.947 -6.355 3.138 261 2HD1 ILE 59 2HD1 ILE 59 2.666 -5.971 2.882 262 3HD1 ILE 59 3HD1 ILE 59 1.923 -7.342 2.023 263 H LEU 60 H LEU 60 5.357 -10.759 2.809 264 HA LEU 60 HA LEU 60 4.479 -13.441 3.570 265 2HB LEU 60 2HB LEU 60 4.364 -13.807 1.409 266 HG LEU 60 HG LEU 60 4.235 -11.152 1.299 267 1HD1 LEU 60 1HD1 LEU 60 6.812 -11.766 -0.174 268 2HD1 LEU 60 2HD1 LEU 60 5.911 -10.233 -0.249 269 3HD1 LEU 60 3HD1 LEU 60 6.634 -10.766 1.287 270 1HD2 LEU 60 1HD2 LEU 60 4.495 -13.116 -0.976 271 2HD2 LEU 60 2HD2 LEU 60 3.023 -12.428 -0.249 272 3HD2 LEU 60 3HD2 LEU 60 4.087 -11.405 -1.243 273 H GLY 61 H GLY 61 7.415 -11.420 2.982 274 1HA GLY 61 1HA GLY 61 9.103 -11.746 4.784 275 2HA GLY 61 2HA GLY 61 8.972 -13.462 4.452 276 H PHE 62 H PHE 62 8.457 -12.345 1.448 277 HA PHE 62 HA PHE 62 11.308 -11.969 0.869 278 2HB PHE 62 2HB PHE 62 10.814 -14.232 0.202 279 HD1 PHE 62 1HD PHE 62 8.991 -15.379 1.198 280 HD2 PHE 62 2HD PHE 62 8.296 -12.738 -2.050 281 HE1 PHE 62 1HE PHE 62 6.649 -16.256 0.987 282 HE2 PHE 62 2HE PHE 62 5.953 -13.616 -2.261 283 HZ PHE 62 HZ PHE 62 5.158 -15.364 -0.741 284 H GLU 63 H GLU 63 11.770 -10.768 -1.116 285 HA GLU 63 HA GLU 63 9.925 -8.665 -1.451 286 2HB GLU 63 2HB GLU 63 12.303 -9.218 -3.258 287 2HG GLU 63 2HG GLU 63 11.951 -6.520 -2.196 288 H ASP 64 H ASP 64 8.054 -8.882 -2.602 289 HA ASP 64 HA ASP 64 7.813 -10.911 -4.546 290 2HB ASP 64 2HB ASP 64 5.535 -10.172 -4.751 291 H ASP 65 H ASP 65 6.038 -9.164 -6.329 292 HA ASP 65 HA ASP 65 7.666 -7.129 -7.371 293 2HB ASP 65 2HB ASP 65 7.495 -8.711 -9.687 294 H VAL 66 H VAL 66 5.199 -9.699 -8.077 295 HA VAL 66 HA VAL 66 3.739 -8.171 -9.934 296 HB VAL 66 HB VAL 66 3.816 -10.758 -9.181 297 1HG1 VAL 66 1HG1 VAL 66 1.273 -9.649 -7.945 298 2HG1 VAL 66 2HG1 VAL 66 1.650 -11.373 -8.176 299 3HG1 VAL 66 3HG1 VAL 66 2.638 -10.386 -7.072 300 1HG2 VAL 66 1HG2 VAL 66 2.249 -9.112 -10.960 301 2HG2 VAL 66 2HG2 VAL 66 2.798 -10.792 -11.165 302 3HG2 VAL 66 3HG2 VAL 66 1.257 -10.454 -10.341 303 H VAL 67 H VAL 67 3.503 -8.667 -6.369 304 HA VAL 67 HA VAL 67 1.137 -7.116 -6.134 305 HB VAL 67 HB VAL 67 1.248 -7.623 -3.917 306 1HG1 VAL 67 1HG1 VAL 67 3.242 -9.718 -4.780 307 2HG1 VAL 67 2HG1 VAL 67 1.839 -9.876 -3.696 308 3HG1 VAL 67 3HG1 VAL 67 1.593 -9.686 -5.449 309 1HG2 VAL 67 1HG2 VAL 67 3.198 -6.340 -3.323 310 2HG2 VAL 67 2HG2 VAL 67 3.379 -7.977 -2.647 311 3HG2 VAL 67 3HG2 VAL 67 4.275 -7.517 -4.113 312 H ILE 68 H ILE 68 4.673 -6.503 -5.784 313 HA ILE 68 HA ILE 68 4.419 -3.898 -4.804 314 HB ILE 68 HB ILE 68 6.641 -5.156 -6.418 315 2HG1 ILE 68 2HG1 ILE 68 5.896 -6.375 -4.317 316 1HG2 ILE 68 1HG2 ILE 68 6.288 -2.481 -5.499 317 2HG2 ILE 68 2HG2 ILE 68 7.570 -3.240 -4.525 318 3HG2 ILE 68 3HG2 ILE 68 7.699 -3.213 -6.300 319 1HD1 ILE 68 1HD1 ILE 68 8.164 -6.671 -5.227 320 2HD1 ILE 68 2HD1 ILE 68 8.699 -5.170 -4.435 321 3HD1 ILE 68 3HD1 ILE 68 8.239 -6.580 -3.451 322 H GLU 69 H GLU 69 4.792 -5.184 -8.171 323 HA GLU 69 HA GLU 69 4.882 -2.754 -9.422 324 2HB GLU 69 2HB GLU 69 3.485 -4.437 -11.187 325 2HG GLU 69 2HG GLU 69 6.415 -4.901 -10.975 326 H PHE 70 H PHE 70 2.055 -4.728 -8.373 327 HA PHE 70 HA PHE 70 0.075 -3.267 -9.631 328 2HB PHE 70 2HB PHE 70 -1.055 -4.096 -7.250 329 HD1 PHE 70 1HD PHE 70 -1.849 -4.158 -10.023 330 HD2 PHE 70 2HD PHE 70 -0.058 -7.220 -7.694 331 HE1 PHE 70 1HE PHE 70 -2.876 -5.895 -11.517 332 HE2 PHE 70 2HE PHE 70 -1.083 -8.956 -9.188 333 HZ PHE 70 HZ PHE 70 -2.480 -8.274 -11.081 334 H ILE 71 H ILE 71 1.592 -2.821 -6.371 335 HA ILE 71 HA ILE 71 -0.059 -0.595 -5.749 336 HB ILE 71 HB ILE 71 2.523 -1.575 -4.526 337 2HG1 ILE 71 2HG1 ILE 71 -0.047 -2.752 -4.564 338 1HG2 ILE 71 1HG2 ILE 71 2.367 0.595 -3.741 339 2HG2 ILE 71 2HG2 ILE 71 0.587 0.584 -3.741 340 3HG2 ILE 71 3HG2 ILE 71 1.482 -0.321 -2.497 341 1HD1 ILE 71 1HD1 ILE 71 2.545 -3.482 -3.994 342 2HD1 ILE 71 2HD1 ILE 71 1.819 -3.493 -2.370 343 3HD1 ILE 71 3HD1 ILE 71 1.124 -4.501 -3.662 344 H PHE 72 H PHE 72 3.273 -1.052 -7.051 345 HA PHE 72 HA PHE 72 3.952 1.657 -7.026 346 2HB PHE 72 2HB PHE 72 4.892 -0.211 -9.213 347 HD1 PHE 72 1HD PHE 72 5.378 2.690 -8.919 348 HD2 PHE 72 2HD PHE 72 7.436 -0.619 -7.237 349 HE1 PHE 72 1HE PHE 72 7.469 4.069 -8.760 350 HE2 PHE 72 2HE PHE 72 9.527 0.761 -7.079 351 HZ PHE 72 HZ PHE 72 9.518 3.089 -7.842 352 H ASN 73 H ASN 73 2.550 -0.458 -9.618 353 HA ASN 73 HA ASN 73 2.533 1.528 -11.547 354 2HB ASN 73 2HB ASN 73 0.536 -0.019 -12.440 355 1HD2 ASN 73 1HD2 ASN 73 3.398 -1.515 -10.961 356 2HD2 ASN 73 2HD2 ASN 73 4.272 -1.822 -12.424 357 H GLN 74 H GLN 74 0.216 0.489 -8.996 358 HA GLN 74 HA GLN 74 -1.885 2.115 -9.947 359 2HB GLN 74 2HB GLN 74 -2.716 1.630 -7.473 360 2HG GLN 74 2HG GLN 74 -3.832 0.445 -9.183 361 1HE2 GLN 74 1HE2 GLN 74 -2.212 -2.376 -9.329 362 2HE2 GLN 74 2HE2 GLN 74 -1.406 -2.241 -10.856 363 H LEU 75 H LEU 75 0.767 2.454 -7.558 364 HA LEU 75 HA LEU 75 -0.248 4.958 -6.589 365 2HB LEU 75 2HB LEU 75 2.041 4.966 -5.450 366 HG LEU 75 HG LEU 75 0.516 2.449 -4.806 367 1HD1 LEU 75 1HD1 LEU 75 1.163 2.945 -2.525 368 2HD1 LEU 75 2HD1 LEU 75 2.600 2.931 -3.575 369 3HD1 LEU 75 3HD1 LEU 75 1.907 4.479 -3.038 370 1HD2 LEU 75 1HD2 LEU 75 -0.969 3.880 -3.372 371 2HD2 LEU 75 2HD2 LEU 75 -0.343 5.296 -4.251 372 3HD2 LEU 75 3HD2 LEU 75 -1.237 4.029 -5.124 373 H GLU 76 H GLU 76 1.045 4.029 -9.502 374 HA GLU 76 HA GLU 76 2.836 6.249 -9.777 375 2HB GLU 76 2HB GLU 76 2.626 5.280 -12.301 376 2HG GLU 76 2HG GLU 76 4.162 3.318 -10.867 377 H VAL 77 H VAL 77 -0.483 5.921 -9.707 378 HA VAL 77 HA VAL 77 -0.907 7.891 -11.834 379 HB VAL 77 HB VAL 77 -3.168 7.215 -11.846 380 1HG1 VAL 77 1HG1 VAL 77 -1.669 4.620 -11.418 381 2HG1 VAL 77 2HG1 VAL 77 -3.026 4.947 -12.523 382 3HG1 VAL 77 3HG1 VAL 77 -1.423 5.649 -12.849 383 1HG2 VAL 77 1HG2 VAL 77 -4.286 6.544 -10.037 384 2HG2 VAL 77 2HG2 VAL 77 -3.236 5.116 -9.864 385 3HG2 VAL 77 3HG2 VAL 77 -2.772 6.659 -9.107 386 H LYS 78 H LYS 78 -3.170 9.185 -10.963 387 HA LYS 78 HA LYS 78 -2.112 10.605 -8.635 388 2HB LYS 78 2HB LYS 78 -3.561 12.455 -9.399 389 2HG LYS 78 2HG LYS 78 -1.142 11.786 -10.384 390 2HD LYS 78 2HD LYS 78 -2.642 12.102 -12.975 391 2HE LYS 78 2HE LYS 78 -0.379 10.193 -12.672 392 1HZ LYS 78 1HZ LYS 78 -1.526 11.546 -14.658 393 2HZ LYS 78 2HZ LYS 78 -0.209 12.471 -14.385 394 3HZ LYS 78 3HZ LYS 78 -0.035 10.887 -14.739 395 H ASN 79 H ASN 79 -4.603 8.419 -9.698 396 HA ASN 79 HA ASN 79 -5.808 8.706 -7.078 397 2HB ASN 79 2HB ASN 79 -7.858 7.984 -9.012 398 1HD2 ASN 79 1HD2 ASN 79 -6.830 11.216 -8.012 399 2HD2 ASN 79 2HD2 ASN 79 -8.062 11.495 -6.826 400 HA PRO 80 HA PRO 80 -4.951 4.386 -8.101 401 2HB PRO 80 2HB PRO 80 -3.022 4.209 -6.857 402 2HG PRO 80 2HG PRO 80 -2.622 5.987 -5.441 403 2HD PRO 80 2HD PRO 80 -3.820 7.634 -6.508 404 H ASP 81 H ASP 81 -6.067 2.433 -7.820 405 HA ASP 81 HA ASP 81 -8.558 2.960 -6.456 406 2HB ASP 81 2HB ASP 81 -7.672 0.697 -8.308 407 H SER 82 H SER 82 -7.814 2.643 -4.231 408 HA SER 82 HA SER 82 -6.184 0.760 -3.282 409 2HB SER 82 2HB SER 82 -7.050 2.380 -1.767 410 HG SER 82 HG SER 82 -9.119 2.943 -1.686 411 H LYS 83 H LYS 83 -9.409 0.304 -4.633 412 HA LYS 83 HA LYS 83 -10.017 -2.154 -3.431 413 2HB LYS 83 2HB LYS 83 -11.692 -2.350 -5.188 414 2HG LYS 83 2HG LYS 83 -12.744 -0.043 -4.952 415 2HD LYS 83 2HD LYS 83 -11.575 -1.313 -2.430 416 2HE LYS 83 2HE LYS 83 -12.813 1.141 -2.545 417 1HZ LYS 83 1HZ LYS 83 -15.028 -0.163 -1.500 418 2HZ LYS 83 2HZ LYS 83 -14.972 0.884 -2.752 419 3HZ LYS 83 3HZ LYS 83 -14.803 -0.719 -3.018 420 H MET 84 H MET 84 -8.250 -1.255 -6.445 421 HA MET 84 HA MET 84 -7.921 -3.919 -7.253 422 2HB MET 84 2HB MET 84 -5.806 -2.374 -8.350 423 2HG MET 84 2HG MET 84 -7.764 -1.930 -10.159 424 1HE MET 84 1HE MET 84 -6.508 -6.306 -9.537 425 2HE MET 84 2HE MET 84 -6.672 -5.179 -8.169 426 3HE MET 84 3HE MET 84 -8.093 -5.589 -9.160 427 H MET 85 H MET 85 -6.027 -1.661 -5.219 428 HA MET 85 HA MET 85 -3.664 -3.090 -5.209 429 2HB MET 85 2HB MET 85 -4.238 -1.834 -2.621 430 2HG MET 85 2HG MET 85 -2.504 -1.143 -5.030 431 1HE MET 85 1HE MET 85 -3.983 1.279 -4.960 432 2HE MET 85 2HE MET 85 -2.810 2.536 -4.498 433 3HE MET 85 3HE MET 85 -2.314 1.208 -5.575 434 H GLN 86 H GLN 86 -6.427 -3.141 -2.844 435 HA GLN 86 HA GLN 86 -5.283 -5.161 -1.296 436 2HB GLN 86 2HB GLN 86 -8.202 -5.116 -1.166 437 2HG GLN 86 2HG GLN 86 -6.646 -3.678 0.898 438 1HE2 GLN 86 1HE2 GLN 86 -7.750 -7.017 0.360 439 2HE2 GLN 86 2HE2 GLN 86 -9.019 -7.024 1.539 440 H ILE 87 H ILE 87 -7.382 -5.139 -4.181 441 HA ILE 87 HA ILE 87 -8.118 -7.869 -3.990 442 HB ILE 87 HB ILE 87 -8.334 -5.684 -6.001 443 2HG1 ILE 87 2HG1 ILE 87 -9.962 -6.500 -4.023 444 1HG2 ILE 87 1HG2 ILE 87 -8.571 -8.626 -6.636 445 2HG2 ILE 87 2HG2 ILE 87 -9.410 -7.367 -7.573 446 3HG2 ILE 87 3HG2 ILE 87 -7.632 -7.375 -7.485 447 1HD1 ILE 87 1HD1 ILE 87 -10.950 -4.680 -4.949 448 2HD1 ILE 87 2HD1 ILE 87 -10.243 -5.030 -6.544 449 3HD1 ILE 87 3HD1 ILE 87 -11.771 -5.803 -6.060 450 H ASN 88 H ASN 88 -5.453 -6.036 -5.552 451 HA ASN 88 HA ASN 88 -4.497 -8.286 -6.940 452 2HB ASN 88 2HB ASN 88 -2.316 -6.707 -6.894 453 1HD2 ASN 88 1HD2 ASN 88 -3.752 -4.183 -7.911 454 2HD2 ASN 88 2HD2 ASN 88 -4.303 -4.602 -9.498 455 H LEU 89 H LEU 89 -3.747 -6.598 -3.831 456 HA LEU 89 HA LEU 89 -1.454 -8.032 -3.173 457 2HB LEU 89 2HB LEU 89 -2.255 -7.382 -0.782 458 HG LEU 89 HG LEU 89 -1.963 -5.025 -2.639 459 1HD1 LEU 89 1HD1 LEU 89 -0.364 -4.967 -0.248 460 2HD1 LEU 89 2HD1 LEU 89 -1.664 -3.870 -0.770 461 3HD1 LEU 89 3HD1 LEU 89 -2.056 -5.335 0.161 462 1HD2 LEU 89 1HD2 LEU 89 0.604 -5.525 -2.045 463 2HD2 LEU 89 2HD2 LEU 89 -0.003 -7.197 -2.120 464 3HD2 LEU 89 3HD2 LEU 89 -0.189 -6.119 -3.525 465 H THR 90 H THR 90 -4.948 -8.656 -2.493 466 HA THR 90 HA THR 90 -4.558 -10.922 -0.910 467 HB THR 90 HB THR 90 -6.865 -10.224 -2.803 468 HG1 THR 90 1HG THR 90 -6.362 -9.635 0.023 469 1HG2 THR 90 1HG2 THR 90 -6.496 -12.096 -0.463 470 2HG2 THR 90 2HG2 THR 90 -8.021 -11.183 -0.556 471 3HG2 THR 90 3HG2 THR 90 -7.551 -12.270 -1.886 472 H GLY 91 H GLY 91 -4.244 -10.438 -4.383 473 1HA GLY 91 1HA GLY 91 -4.628 -13.099 -5.215 474 2HA GLY 91 2HA GLY 91 -3.726 -11.852 -6.054 475 H PHE 92 H PHE 92 -1.998 -11.475 -3.499 476 HA PHE 92 HA PHE 92 -0.335 -13.853 -3.947 477 2HB PHE 92 2HB PHE 92 1.096 -11.585 -2.835 478 HD1 PHE 92 1HD PHE 92 0.143 -13.163 -6.074 479 HD2 PHE 92 2HD PHE 92 3.257 -11.562 -3.678 480 HE1 PHE 92 1HE PHE 92 1.834 -13.922 -7.766 481 HE2 PHE 92 2HE PHE 92 4.949 -12.321 -5.370 482 HZ PHE 92 HZ PHE 92 4.217 -13.491 -7.394 483 H LEU 93 H LEU 93 -1.435 -11.355 -1.581 484 HA LEU 93 HA LEU 93 -0.137 -12.578 0.615 485 2HB LEU 93 2HB LEU 93 -1.329 -11.002 1.949 486 HG LEU 93 HG LEU 93 -1.096 -9.354 -0.533 487 1HD1 LEU 93 1HD1 LEU 93 -1.549 -8.093 1.385 488 2HD1 LEU 93 2HD1 LEU 93 -0.421 -9.036 2.388 489 3HD1 LEU 93 3HD1 LEU 93 0.207 -7.922 1.150 490 1HD2 LEU 93 1HD2 LEU 93 1.109 -11.003 0.630 491 2HD2 LEU 93 2HD2 LEU 93 0.780 -10.553 -1.060 492 3HD2 LEU 93 3HD2 LEU 93 1.476 -9.358 0.061 493 H ASN 94 H ASN 94 -2.202 -12.713 2.573 494 HA ASN 94 HA ASN 94 -3.318 -15.241 1.759 495 2HB ASN 94 2HB ASN 94 -2.326 -15.406 3.913 496 1HD2 ASN 94 1HD2 ASN 94 -0.942 -14.110 4.850 497 2HD2 ASN 94 2HD2 ASN 94 -1.281 -12.592 5.614 498 H GLY 95 H GLY 95 -4.152 -11.872 2.371 499 1HA GLY 95 1HA GLY 95 -6.294 -11.228 1.323 500 2HA GLY 95 2HA GLY 95 -7.034 -12.536 2.224 501 H LYS 96 H LYS 96 -5.831 -12.341 4.751 502 HA LYS 96 HA LYS 96 -7.236 -10.098 5.793 503 2HB LYS 96 2HB LYS 96 -5.380 -11.602 7.547 504 2HG LYS 96 2HG LYS 96 -8.285 -11.721 8.013 505 2HD LYS 96 2HD LYS 96 -5.909 -10.519 9.510 506 2HE LYS 96 2HE LYS 96 -8.806 -10.938 10.386 507 1HZ LYS 96 1HZ LYS 96 -7.880 -11.195 12.359 508 2HZ LYS 96 2HZ LYS 96 -6.380 -10.818 11.836 509 3HZ LYS 96 3HZ LYS 96 -7.408 -9.633 12.290 510 H ASN 97 H ASN 97 -3.824 -10.926 5.091 511 HA ASN 97 HA ASN 97 -2.737 -8.794 6.510 512 2HB ASN 97 2HB ASN 97 -1.090 -9.373 4.220 513 1HD2 ASN 97 1HD2 ASN 97 0.351 -11.507 5.209 514 2HD2 ASN 97 2HD2 ASN 97 1.037 -11.113 6.750 515 H ALA 98 H ALA 98 -4.096 -9.223 3.222 516 HA ALA 98 HA ALA 98 -3.073 -6.874 2.077 517 1HB ALA 98 1HB ALA 98 -5.725 -7.761 1.144 518 2HB ALA 98 2HB ALA 98 -4.183 -7.646 0.263 519 3HB ALA 98 3HB ALA 98 -4.534 -9.079 1.258 520 H ARG 99 H ARG 99 -5.956 -7.609 4.085 521 HA ARG 99 HA ARG 99 -7.155 -5.123 3.653 522 2HB ARG 99 2HB ARG 99 -8.387 -5.789 5.872 523 2HG ARG 99 2HG ARG 99 -8.430 -7.891 3.667 524 2HD ARG 99 2HD ARG 99 -10.975 -7.564 4.175 525 HE ARG 99 HE ARG 99 -9.756 -8.821 6.525 526 1HH1 ARG 99 2HH2 ARG 99 -10.394 -9.160 3.081 527 2HH1 ARG 99 1HH2 ARG 99 -10.273 -10.888 3.098 528 1HH2 ARG 99 2HH1 ARG 99 -9.595 -11.100 6.548 529 2HH2 ARG 99 1HH1 ARG 99 -9.815 -11.999 5.084 530 H GLU 100 H GLU 100 -4.859 -6.444 6.087 531 HA GLU 100 HA GLU 100 -4.998 -4.155 7.733 532 2HB GLU 100 2HB GLU 100 -2.526 -5.607 8.099 533 2HG GLU 100 2HG GLU 100 -3.886 -6.425 10.165 534 H PHE 101 H PHE 101 -2.824 -5.329 5.112 535 HA PHE 101 HA PHE 101 -0.841 -3.411 5.400 536 2HB PHE 101 2HB PHE 101 -2.051 -4.996 3.069 537 HD1 PHE 101 1HD PHE 101 -2.001 -3.159 1.413 538 HD2 PHE 101 2HD PHE 101 1.515 -4.428 3.425 539 HE1 PHE 101 1HE PHE 101 -0.594 -1.990 -0.306 540 HE2 PHE 101 2HE PHE 101 2.920 -3.259 1.706 541 HZ PHE 101 HZ PHE 101 1.850 -2.054 -0.140 542 H MET 102 H MET 102 -3.834 -3.417 3.348 543 HA MET 102 HA MET 102 -3.309 -0.947 2.191 544 2HB MET 102 2HB MET 102 -6.175 -1.489 2.517 545 2HG MET 102 2HG MET 102 -5.815 -2.129 -0.004 546 1HE MET 102 1HE MET 102 -3.801 1.144 -0.689 547 2HE MET 102 2HE MET 102 -4.510 -0.209 -1.603 548 3HE MET 102 3HE MET 102 -5.298 1.387 -1.619 549 H GLY 103 H GLY 103 -4.887 -1.907 5.251 550 1HA GLY 103 1HA GLY 103 -5.946 0.723 5.776 551 2HA GLY 103 2HA GLY 103 -5.943 -0.669 6.842 552 H GLU 104 H GLU 104 -2.854 0.027 5.383 553 HA GLU 104 HA GLU 104 -2.082 1.489 7.782 554 2HB GLU 104 2HB GLU 104 0.198 0.172 7.380 555 2HG GLU 104 2HG GLU 104 -1.803 -1.698 8.517 556 H LEU 105 H LEU 105 -1.737 0.843 4.306 557 HA LEU 105 HA LEU 105 0.227 2.990 4.087 558 2HB LEU 105 2HB LEU 105 -0.240 0.523 2.730 559 HG LEU 105 HG LEU 105 0.243 1.305 0.416 560 1HD1 LEU 105 1HD1 LEU 105 -2.405 2.380 0.548 561 2HD1 LEU 105 2HD1 LEU 105 -1.869 0.769 0.015 562 3HD1 LEU 105 3HD1 LEU 105 -2.259 1.055 1.728 563 1HD2 LEU 105 1HD2 LEU 105 0.420 3.448 -0.168 564 2HD2 LEU 105 2HD2 LEU 105 -1.073 3.893 0.696 565 3HD2 LEU 105 3HD2 LEU 105 0.474 3.811 1.573 566 H TRP 106 H TRP 106 -3.132 2.068 3.295 567 HA TRP 106 HA TRP 106 -3.684 4.158 1.536 568 2HB TRP 106 2HB TRP 106 -5.682 2.969 3.447 569 HD1 TRP 106 HD TRP 106 -7.912 4.165 2.824 570 HE1 TRP 106 1HE TRP 106 -9.136 5.091 0.678 571 HE3 TRP 106 3HE TRP 106 -4.155 3.085 -0.427 572 HZ2 TRP 106 2HZ TRP 106 -8.412 5.265 -2.077 573 HZ3 TRP 106 3HZ TRP 106 -4.493 3.666 -2.828 574 HH2 TRP 106 HH TRP 106 -6.533 4.719 -3.668 575 HA PRO 107 HA PRO 107 -4.725 6.478 5.559 576 2HB PRO 107 2HB PRO 107 -5.337 5.206 7.378 577 2HG PRO 107 2HG PRO 107 -4.668 3.000 7.278 578 2HD PRO 107 2HD PRO 107 -4.464 2.738 5.004 579 H LEU 108 H LEU 108 -1.616 5.023 5.178 580 HA LEU 108 HA LEU 108 -0.121 6.996 6.448 581 2HB LEU 108 2HB LEU 108 1.216 5.896 4.141 582 HG LEU 108 HG LEU 108 1.823 6.310 6.836 583 1HD1 LEU 108 1HD1 LEU 108 1.740 3.344 6.228 584 2HD1 LEU 108 2HD1 LEU 108 2.644 4.077 7.575 585 3HD1 LEU 108 3HD1 LEU 108 0.870 4.214 7.515 586 1HD2 LEU 108 1HD2 LEU 108 3.783 4.654 5.469 587 2HD2 LEU 108 2HD2 LEU 108 3.145 5.939 4.418 588 3HD2 LEU 108 3HD2 LEU 108 3.877 6.354 5.986 589 H LEU 109 H LEU 109 -1.368 6.727 3.072 590 HA LEU 109 HA LEU 109 -0.108 9.133 2.246 591 2HB LEU 109 2HB LEU 109 -1.285 8.830 0.209 592 HG LEU 109 HG LEU 109 -0.704 6.069 1.317 593 1HD1 LEU 109 1HD1 LEU 109 -1.697 5.342 -0.544 594 2HD1 LEU 109 2HD1 LEU 109 -1.752 6.969 -1.262 595 3HD1 LEU 109 3HD1 LEU 109 -0.277 5.983 -1.406 596 1HD2 LEU 109 1HD2 LEU 109 1.225 7.119 -0.573 597 2HD2 LEU 109 2HD2 LEU 109 1.056 8.189 0.840 598 3HD2 LEU 109 3HD2 LEU 109 1.466 6.472 1.068 599 H LEU 110 H LEU 110 -3.198 8.250 3.775 600 HA LEU 110 HA LEU 110 -4.658 10.514 3.208 601 2HB LEU 110 2HB LEU 110 -5.521 9.928 5.678 602 HG LEU 110 HG LEU 110 -7.162 9.451 4.181 603 1HD1 LEU 110 1HD1 LEU 110 -6.124 9.565 2.122 604 2HD1 LEU 110 2HD1 LEU 110 -4.983 8.251 2.499 605 3HD1 LEU 110 3HD1 LEU 110 -6.690 7.878 2.155 606 1HD2 LEU 110 1HD2 LEU 110 -6.536 7.374 5.755 607 2HD2 LEU 110 2HD2 LEU 110 -7.910 7.359 4.625 608 3HD2 LEU 110 3HD2 LEU 110 -6.374 6.585 4.168 609 H SER 111 H SER 111 -2.222 9.921 5.809 610 HA SER 111 HA SER 111 -2.575 12.552 6.817 611 2HB SER 111 2HB SER 111 -0.105 11.013 7.499 612 HG SER 111 HG SER 111 -2.071 12.609 8.786 613 H ALA 112 H ALA 112 -0.439 10.861 4.522 614 HA ALA 112 HA ALA 112 1.601 12.788 4.435 615 1HB ALA 112 1HB ALA 112 0.991 11.275 1.960 616 2HB ALA 112 2HB ALA 112 2.496 11.364 2.906 617 3HB ALA 112 3HB ALA 112 1.184 10.277 3.421 618 H GLN 113 H GLN 113 -1.427 12.296 2.514 619 HA GLN 113 HA GLN 113 -0.963 14.381 0.762 620 2HB GLN 113 2HB GLN 113 -2.657 12.618 0.395 621 2HG GLN 113 2HG GLN 113 -3.954 13.950 2.796 622 1HE2 GLN 113 1HE2 GLN 113 -4.724 11.253 0.618 623 2HE2 GLN 113 2HE2 GLN 113 -6.371 11.685 0.298 624 H GLU 114 H GLU 114 -1.639 14.412 4.138 625 HA GLU 114 HA GLU 114 -2.929 16.983 4.033 626 2HB GLU 114 2HB GLU 114 -2.898 16.712 6.579 627 2HG GLU 114 2HG GLU 114 -4.202 14.229 5.943 628 H ASN 115 H ASN 115 0.233 15.756 3.920 629 HA ASN 115 HA ASN 115 1.387 17.830 5.521 630 2HB ASN 115 2HB ASN 115 3.290 16.457 3.779 631 1HD2 ASN 115 1HD2 ASN 115 2.009 15.172 6.782 632 2HD2 ASN 115 2HD2 ASN 115 3.279 15.700 7.835 633 H ILE 116 H ILE 116 3.729 18.338 3.839 634 HA ILE 116 HA ILE 116 2.453 19.837 1.659 635 HB ILE 116 HB ILE 116 3.550 21.022 3.682 636 2HG1 ILE 116 2HG1 ILE 116 3.826 22.906 2.382 637 1HG2 ILE 116 1HG2 ILE 116 5.617 19.778 3.771 638 2HG2 ILE 116 2HG2 ILE 116 6.006 20.232 2.094 639 3HG2 ILE 116 3HG2 ILE 116 5.963 21.477 3.366 640 1HD1 ILE 116 1HD1 ILE 116 4.721 22.933 0.105 641 2HD1 ILE 116 2HD1 ILE 116 5.850 22.042 1.153 642 3HD1 ILE 116 3HD1 ILE 116 4.759 21.155 0.063 643 H ALA 117 H ALA 117 5.296 17.879 2.696 644 HA ALA 117 HA ALA 117 6.223 17.756 -0.047 645 1HB ALA 117 1HB ALA 117 7.909 16.149 1.244 646 2HB ALA 117 2HB ALA 117 8.037 17.919 1.380 647 3HB ALA 117 3HB ALA 117 7.246 16.984 2.671 648 H GLY 118 H GLY 118 3.676 16.418 1.496 649 1HA GLY 118 1HA GLY 118 2.408 14.607 1.083 650 2HA GLY 118 2HA GLY 118 3.417 14.268 -0.309 651 H ILE 119 H ILE 119 4.432 14.495 3.153 652 HA ILE 119 HA ILE 119 5.157 11.653 2.976 653 HB ILE 119 HB ILE 119 6.676 14.038 3.799 654 2HG1 ILE 119 2HG1 ILE 119 7.325 11.299 2.691 655 1HG2 ILE 119 1HG2 ILE 119 7.974 12.908 5.507 656 2HG2 ILE 119 2HG2 ILE 119 6.262 12.986 5.990 657 3HG2 ILE 119 3HG2 ILE 119 6.945 11.462 5.373 658 1HD1 ILE 119 1HD1 ILE 119 7.115 14.118 1.649 659 2HD1 ILE 119 2HD1 ILE 119 8.352 13.047 0.948 660 3HD1 ILE 119 3HD1 ILE 119 6.635 12.588 0.877 661 HA PRO 120 HA PRO 120 2.512 11.217 6.373 662 2HB PRO 120 2HB PRO 120 2.030 9.041 5.798 663 2HG PRO 120 2HG PRO 120 3.571 8.051 4.395 664 2HD PRO 120 2HD PRO 120 4.478 9.917 3.405 665 H SER 121 H SER 121 2.377 11.557 8.564 666 HA SER 121 HA SER 121 4.678 12.540 9.700 667 2HB SER 121 2HB SER 121 2.346 13.085 10.417 668 HG SER 121 HG SER 121 1.082 11.637 11.436 669 H ALA 122 H ALA 122 3.643 9.275 9.205 670 HA ALA 122 HA ALA 122 4.686 8.019 11.463 671 1HB ALA 122 1HB ALA 122 3.853 7.296 8.702 672 2HB ALA 122 2HB ALA 122 4.989 6.169 9.482 673 3HB ALA 122 3HB ALA 122 3.432 6.544 10.260 674 H PHE 123 H PHE 123 6.201 9.443 8.593 675 HA PHE 123 HA PHE 123 8.748 8.226 9.338 676 2HB PHE 123 2HB PHE 123 9.405 9.178 7.084 677 HD1 PHE 123 1HD PHE 123 7.479 8.857 4.811 678 HD2 PHE 123 2HD PHE 123 7.953 6.635 8.395 679 HE1 PHE 123 1HE PHE 123 6.519 6.831 3.682 680 HE2 PHE 123 2HE PHE 123 6.993 4.609 7.266 681 HZ PHE 123 HZ PHE 123 6.288 4.731 4.923 682 H LEU 124 H LEU 124 7.060 11.379 8.945 683 HA LEU 124 HA LEU 124 9.150 13.103 9.177 684 2HB LEU 124 2HB LEU 124 7.527 14.663 10.175 685 HG LEU 124 HG LEU 124 6.262 12.993 7.984 686 1HD1 LEU 124 1HD1 LEU 124 5.435 15.447 9.377 687 2HD1 LEU 124 2HD1 LEU 124 5.428 15.571 7.601 688 3HD1 LEU 124 3HD1 LEU 124 4.487 14.293 8.408 689 1HD2 LEU 124 1HD2 LEU 124 8.465 13.715 7.299 690 2HD2 LEU 124 2HD2 LEU 124 7.231 14.671 6.443 691 3HD2 LEU 124 3HD2 LEU 124 8.117 15.383 7.812 692 H GLU 125 H GLU 125 7.129 12.043 12.010 693 HA GLU 125 HA GLU 125 8.850 13.020 13.892 694 2HB GLU 125 2HB GLU 125 7.058 10.564 14.148 695 2HG GLU 125 2HG GLU 125 7.386 12.522 16.372 696 H LEU 126 H LEU 126 8.479 9.503 13.006 697 HA LEU 126 HA LEU 126 10.658 8.576 14.361 698 2HB LEU 126 2HB LEU 126 10.647 6.878 12.321 699 HG LEU 126 HG LEU 126 8.319 7.141 14.246 700 1HD1 LEU 126 1HD1 LEU 126 9.069 5.002 12.272 701 2HD1 LEU 126 2HD1 LEU 126 8.225 4.585 13.782 702 3HD1 LEU 126 3HD1 LEU 126 7.478 5.715 12.627 703 1HD2 LEU 126 1HD2 LEU 126 9.692 5.142 15.284 704 2HD2 LEU 126 2HD2 LEU 126 11.050 5.939 14.454 705 3HD2 LEU 126 3HD2 LEU 126 10.093 6.836 15.658 706 H LYS 127 H LYS 127 12.660 7.517 13.065 707 HA LYS 127 HA LYS 127 13.699 8.978 10.913 708 2HB LYS 127 2HB LYS 127 14.664 9.842 13.653 709 2HG LYS 127 2HG LYS 127 16.096 11.376 12.004 710 2HD LYS 127 2HD LYS 127 17.123 8.546 12.232 711 2HE LYS 127 2HE LYS 127 18.328 11.200 13.134 712 1HZ LYS 127 1HZ LYS 127 19.117 8.549 13.297 713 2HZ LYS 127 2HZ LYS 127 20.109 9.280 12.226 714 3HZ LYS 127 3HZ LYS 127 19.960 9.878 13.739 715 H LYS 128 H LYS 128 14.331 7.032 10.044 716 HA LYS 128 HA LYS 128 15.370 5.082 9.849 717 2HB LYS 128 2HB LYS 128 17.814 5.232 10.900 718 2HG LYS 128 2HG LYS 128 16.579 5.939 8.436 719 2HD LYS 128 2HD LYS 128 18.730 7.953 9.235 720 2HE LYS 128 2HE LYS 128 17.550 7.084 6.687 721 1HZ LYS 128 1HZ LYS 128 17.720 9.753 6.297 722 2HZ LYS 128 2HZ LYS 128 16.341 8.879 6.323 723 3HZ LYS 128 3HZ LYS 128 16.851 9.639 7.675 724 H GLU 129 H GLU 129 13.672 4.084 11.221 725 HA GLU 129 HA GLU 129 14.011 3.775 13.943 726 2HB GLU 129 2HB GLU 129 12.653 1.781 12.083 727 2HG GLU 129 2HG GLU 129 12.935 1.531 14.735 728 H GLU 130 H GLU 130 14.558 1.265 11.356 729 HA GLU 130 HA GLU 130 17.064 0.580 12.366 730 2HB GLU 130 2HB GLU 130 15.342 -1.789 12.826 731 2HG GLU 130 2HG GLU 130 17.354 -0.435 14.670 732 H ILE 131 H ILE 131 17.340 0.924 10.035 733 HA ILE 131 HA ILE 131 16.025 -0.969 8.289 734 HB ILE 131 HB ILE 131 17.966 1.293 7.810 735 2HG1 ILE 131 2HG1 ILE 131 14.990 1.002 7.721 736 1HG2 ILE 131 1HG2 ILE 131 17.052 0.845 5.364 737 2HG2 ILE 131 2HG2 ILE 131 18.490 0.010 5.998 738 3HG2 ILE 131 3HG2 ILE 131 16.914 -0.819 5.980 739 1HD1 ILE 131 1HD1 ILE 131 15.612 3.624 8.187 740 2HD1 ILE 131 2HD1 ILE 131 15.473 2.403 9.475 741 3HD1 ILE 131 3HD1 ILE 131 17.073 2.830 8.822 742 H LYS 132 H LYS 132 16.775 -2.997 8.049 743 HA LYS 132 HA LYS 132 19.302 -3.754 9.038 744 2HB LYS 132 2HB LYS 132 17.465 -5.283 7.173 745 2HG LYS 132 2HG LYS 132 18.738 -6.879 9.179 746 2HD LYS 132 2HD LYS 132 18.467 -6.740 6.258 747 2HE LYS 132 2HE LYS 132 21.169 -7.153 7.394 748 1HZ LYS 132 1HZ LYS 132 19.827 -9.382 6.458 749 2HZ LYS 132 2HZ LYS 132 20.909 -8.965 5.308 750 3HZ LYS 132 3HZ LYS 132 21.411 -9.251 6.836 751 H GLN 133 H GLN 133 21.089 -2.794 8.142 752 HA GLN 133 HA GLN 133 21.432 -1.831 5.704 753 2HB GLN 133 2HB GLN 133 23.148 -1.685 7.436 754 2HG GLN 133 2HG GLN 133 23.856 -4.584 6.817 755 1HE2 GLN 133 1HE2 GLN 133 24.053 -4.558 9.874 756 2HE2 GLN 133 2HE2 GLN 133 25.603 -3.866 10.215 757 H ARG 134 H ARG 134 21.165 -2.599 3.657 758 HA ARG 134 HA ARG 134 20.734 -4.055 2.083 759 2HB ARG 134 2HB ARG 134 23.027 -5.797 2.311 760 2HG ARG 134 2HG ARG 134 21.887 -4.361 0.332 761 2HD ARG 134 2HD ARG 134 23.800 -2.611 -0.227 762 HE ARG 134 HE ARG 134 21.304 -2.292 1.232 763 1HH1 ARG 134 2HH2 ARG 134 24.146 -0.561 0.090 764 2HH1 ARG 134 1HH2 ARG 134 23.350 0.977 0.046 765 1HH2 ARG 134 2HH1 ARG 134 20.253 -0.265 1.175 766 2HH2 ARG 134 1HH1 ARG 134 21.120 1.146 0.668 Start of MODEL 10 1 1H SER 24 H SER 24 -7.601 -8.746 -12.633 2 HA SER 24 HA SER 24 -9.756 -10.471 -12.132 3 2HB SER 24 2HB SER 24 -9.437 -12.193 -13.715 4 HG SER 24 HG SER 24 -10.165 -10.041 -14.685 5 H HIS 25 H HIS 25 -7.858 -12.886 -12.504 6 HA HIS 25 HA HIS 25 -6.137 -13.863 -11.512 7 2HB HIS 25 2HB HIS 25 -5.110 -11.739 -9.809 8 HD1 HIS 25 1HD HIS 25 -4.613 -14.121 -12.708 9 HD2 HIS 25 2HD HIS 25 -2.312 -11.894 -9.997 10 HE1 HIS 25 1HE HIS 25 -2.213 -14.948 -12.959 11 H MET 26 H MET 26 -7.761 -11.411 -9.387 12 HA MET 26 HA MET 26 -8.861 -13.496 -7.829 13 2HB MET 26 2HB MET 26 -6.404 -13.199 -6.997 14 2HG MET 26 2HG MET 26 -5.974 -11.291 -5.525 15 1HE MET 26 1HE MET 26 -4.284 -11.571 -7.934 16 2HE MET 26 2HE MET 26 -4.015 -9.838 -8.235 17 3HE MET 26 3HE MET 26 -4.180 -10.437 -6.567 18 H GLN 27 H GLN 27 -10.503 -12.706 -6.345 19 HA GLN 27 HA GLN 27 -10.883 -9.835 -6.398 20 2HB GLN 27 2HB GLN 27 -13.353 -10.218 -6.893 21 2HG GLN 27 2HG GLN 27 -13.009 -10.549 -9.344 22 1HE2 GLN 27 1HE2 GLN 27 -10.838 -9.356 -10.508 23 2HE2 GLN 27 2HE2 GLN 27 -10.611 -7.752 -9.894 24 H LEU 28 H LEU 28 -12.177 -9.028 -4.608 25 HA LEU 28 HA LEU 28 -13.374 -10.793 -2.761 26 2HB LEU 28 2HB LEU 28 -11.319 -11.503 -2.005 27 HG LEU 28 HG LEU 28 -9.428 -10.025 -1.382 28 1HD1 LEU 28 1HD1 LEU 28 -9.936 -9.636 -4.318 29 2HD1 LEU 28 2HD1 LEU 28 -8.431 -10.067 -3.471 30 3HD1 LEU 28 3HD1 LEU 28 -9.732 -11.269 -3.640 31 1HD2 LEU 28 1HD2 LEU 28 -11.014 -7.898 -2.844 32 2HD2 LEU 28 2HD2 LEU 28 -10.571 -7.915 -1.121 33 3HD2 LEU 28 3HD2 LEU 28 -9.307 -7.753 -2.363 34 H LYS 29 H LYS 29 -13.354 -9.252 -0.460 35 HA LYS 29 HA LYS 29 -14.651 -6.842 -1.469 36 2HB LYS 29 2HB LYS 29 -14.768 -8.064 1.302 37 2HG LYS 29 2HG LYS 29 -16.358 -5.928 -0.180 38 2HD LYS 29 2HD LYS 29 -17.152 -6.716 2.585 39 2HE LYS 29 2HE LYS 29 -18.177 -5.055 0.637 40 1HZ LYS 29 1HZ LYS 29 -20.330 -6.707 0.465 41 2HZ LYS 29 2HZ LYS 29 -19.332 -6.288 -0.757 42 3HZ LYS 29 3HZ LYS 29 -19.068 -7.667 0.076 43 H PHE 30 H PHE 30 -14.328 -4.784 -0.215 44 HA PHE 30 HA PHE 30 -11.498 -4.593 0.514 45 2HB PHE 30 2HB PHE 30 -11.593 -2.563 -0.636 46 HD1 PHE 30 1HD PHE 30 -11.554 -3.755 -2.754 47 HD2 PHE 30 2HD PHE 30 -15.235 -2.707 -0.921 48 HE1 PHE 30 1HE PHE 30 -12.758 -4.217 -4.907 49 HE2 PHE 30 2HE PHE 30 -16.439 -3.169 -3.075 50 HZ PHE 30 HZ PHE 30 -15.186 -3.918 -5.042 51 H ALA 31 H ALA 31 -11.092 -2.650 2.114 52 HA ALA 31 HA ALA 31 -12.616 -3.269 4.466 53 1HB ALA 31 1HB ALA 31 -10.676 -2.695 5.441 54 2HB ALA 31 2HB ALA 31 -10.007 -2.352 3.827 55 3HB ALA 31 3HB ALA 31 -10.781 -1.052 4.765 56 H GLU 32 H GLU 32 -12.608 -0.759 5.795 57 HA GLU 32 HA GLU 32 -14.669 0.572 4.228 58 2HB GLU 32 2HB GLU 32 -15.464 1.444 6.458 59 2HG GLU 32 2HG GLU 32 -15.254 -1.537 6.798 60 H CYS 33 H CYS 33 -11.432 0.816 5.205 61 HA CYS 33 HA CYS 33 -11.513 3.702 5.484 62 2HB CYS 33 2HB CYS 33 -8.974 3.335 5.818 63 HG CYS 33 HG CYS 33 -9.223 3.513 8.186 64 H LEU 34 H LEU 34 -10.942 1.116 3.180 65 HA LEU 34 HA LEU 34 -9.178 2.424 1.449 66 2HB LEU 34 2HB LEU 34 -9.789 0.748 -0.143 67 HG LEU 34 HG LEU 34 -10.259 -0.899 2.285 68 1HD1 LEU 34 1HD1 LEU 34 -8.147 -2.004 1.152 69 2HD1 LEU 34 2HD1 LEU 34 -9.782 -2.232 0.487 70 3HD1 LEU 34 3HD1 LEU 34 -8.679 -1.045 -0.249 71 1HD2 LEU 34 1HD2 LEU 34 -8.871 0.547 3.436 72 2HD2 LEU 34 2HD2 LEU 34 -7.714 -0.631 2.771 73 3HD2 LEU 34 3HD2 LEU 34 -7.915 0.956 1.992 74 H GLU 35 H GLU 35 -12.404 3.155 2.342 75 HA GLU 35 HA GLU 35 -12.972 4.373 -0.213 76 2HB GLU 35 2HB GLU 35 -15.203 4.423 0.440 77 2HG GLU 35 2HG GLU 35 -14.426 2.404 2.547 78 H LYS 36 H LYS 36 -10.752 5.322 1.581 79 HA LYS 36 HA LYS 36 -11.810 7.918 2.405 80 2HB LYS 36 2HB LYS 36 -9.399 8.052 3.394 81 2HG LYS 36 2HG LYS 36 -10.464 6.070 5.090 82 2HD LYS 36 2HD LYS 36 -11.550 8.870 5.241 83 2HE LYS 36 2HE LYS 36 -10.127 6.979 7.172 84 1HZ LYS 36 1HZ LYS 36 -9.636 9.113 7.883 85 2HZ LYS 36 2HZ LYS 36 -11.091 9.725 7.466 86 3HZ LYS 36 3HZ LYS 36 -10.963 8.726 8.752 87 H LYS 37 H LYS 37 -10.335 6.345 -0.238 88 HA LYS 37 HA LYS 37 -9.297 7.046 -2.059 89 2HB LYS 37 2HB LYS 37 -9.900 9.390 -2.838 90 2HG LYS 37 2HG LYS 37 -11.434 7.026 -2.649 91 2HD LYS 37 2HD LYS 37 -12.762 9.284 -1.277 92 2HE LYS 37 2HE LYS 37 -14.975 8.207 -2.520 93 1HZ LYS 37 1HZ LYS 37 -14.027 10.606 -2.192 94 2HZ LYS 37 2HZ LYS 37 -13.729 10.484 -3.794 95 3HZ LYS 37 3HZ LYS 37 -15.252 10.311 -3.232 96 H VAL 38 H VAL 38 -7.698 8.849 -2.981 97 HA VAL 38 HA VAL 38 -6.146 10.093 -0.893 98 HB VAL 38 HB VAL 38 -4.119 8.925 -1.326 99 1HG1 VAL 38 1HG1 VAL 38 -4.634 6.695 -0.486 100 2HG1 VAL 38 2HG1 VAL 38 -5.671 7.904 0.309 101 3HG1 VAL 38 3HG1 VAL 38 -6.334 6.875 -0.984 102 1HG2 VAL 38 1HG2 VAL 38 -5.651 7.374 -3.440 103 2HG2 VAL 38 2HG2 VAL 38 -4.321 8.526 -3.708 104 3HG2 VAL 38 3HG2 VAL 38 -4.008 6.982 -2.879 105 H ASP 39 H ASP 39 -3.793 10.400 -2.613 106 HA ASP 39 HA ASP 39 -4.529 11.266 -5.138 107 2HB ASP 39 2HB ASP 39 -3.872 13.695 -3.517 108 H MET 40 H MET 40 -2.501 10.364 -5.756 109 HA MET 40 HA MET 40 -0.177 10.692 -4.280 110 2HB MET 40 2HB MET 40 0.921 9.823 -6.374 111 2HG MET 40 2HG MET 40 -0.784 7.870 -6.798 112 1HE MET 40 1HE MET 40 -0.460 7.847 -2.428 113 2HE MET 40 2HE MET 40 0.453 9.305 -2.884 114 3HE MET 40 3HE MET 40 -1.221 9.091 -3.449 115 H SER 41 H SER 41 -1.822 12.789 -6.575 116 HA SER 41 HA SER 41 0.453 14.245 -7.344 117 2HB SER 41 2HB SER 41 -2.537 14.732 -7.472 118 HG SER 41 HG SER 41 -2.045 16.628 -8.748 119 H LYS 42 H LYS 42 -1.098 13.928 -4.363 120 HA LYS 42 HA LYS 42 -0.256 16.629 -3.565 121 2HB LYS 42 2HB LYS 42 -2.054 16.801 -2.095 122 2HG LYS 42 2HG LYS 42 -4.100 16.021 -3.413 123 2HD LYS 42 2HD LYS 42 -3.016 17.208 -5.655 124 2HE LYS 42 2HE LYS 42 -3.724 18.656 -3.057 125 1HZ LYS 42 1HZ LYS 42 -3.277 20.360 -4.384 126 2HZ LYS 42 2HZ LYS 42 -3.251 19.466 -5.751 127 3HZ LYS 42 3HZ LYS 42 -4.673 20.006 -5.155 128 H VAL 43 H VAL 43 -0.396 13.124 -2.812 129 HA VAL 43 HA VAL 43 1.602 13.614 -0.716 130 HB VAL 43 HB VAL 43 0.048 12.515 0.464 131 1HG1 VAL 43 1HG1 VAL 43 -1.725 11.092 -0.456 132 2HG1 VAL 43 2HG1 VAL 43 -1.642 12.649 -1.315 133 3HG1 VAL 43 3HG1 VAL 43 -0.972 11.180 -2.066 134 1HG2 VAL 43 1HG2 VAL 43 1.250 10.196 -1.083 135 2HG2 VAL 43 2HG2 VAL 43 1.869 10.919 0.420 136 3HG2 VAL 43 3HG2 VAL 43 0.321 10.040 0.426 137 H ASN 44 H ASN 44 3.458 12.180 -0.624 138 HA ASN 44 HA ASN 44 4.275 11.471 -3.273 139 2HB ASN 44 2HB ASN 44 6.487 11.020 -2.162 140 1HD2 ASN 44 1HD2 ASN 44 7.833 12.757 -1.093 141 2HD2 ASN 44 2HD2 ASN 44 7.421 14.406 -1.423 142 H LEU 45 H LEU 45 4.628 9.303 -3.989 143 HA LEU 45 HA LEU 45 3.625 7.246 -2.167 144 2HB LEU 45 2HB LEU 45 2.874 7.849 -4.698 145 HG LEU 45 HG LEU 45 3.520 6.068 -6.188 146 1HD1 LEU 45 1HD1 LEU 45 5.187 7.279 -7.025 147 2HD1 LEU 45 2HD1 LEU 45 5.118 8.254 -5.538 148 3HD1 LEU 45 3HD1 LEU 45 6.256 6.891 -5.658 149 1HD2 LEU 45 1HD2 LEU 45 5.883 5.099 -4.789 150 2HD2 LEU 45 2HD2 LEU 45 4.380 4.745 -3.905 151 3HD2 LEU 45 3HD2 LEU 45 4.571 4.201 -5.588 152 H GLU 46 H GLU 46 6.478 8.460 -3.831 153 HA GLU 46 HA GLU 46 7.945 6.133 -3.927 154 2HB GLU 46 2HB GLU 46 9.724 8.296 -3.343 155 2HG GLU 46 2HG GLU 46 9.901 8.259 -5.938 156 H VAL 47 H VAL 47 7.345 8.459 -1.264 157 HA VAL 47 HA VAL 47 9.299 7.363 0.466 158 HB VAL 47 HB VAL 47 8.236 8.736 2.148 159 1HG1 VAL 47 1HG1 VAL 47 9.282 9.665 -0.311 160 2HG1 VAL 47 2HG1 VAL 47 7.917 10.733 0.093 161 3HG1 VAL 47 3HG1 VAL 47 9.247 10.510 1.254 162 1HG2 VAL 47 1HG2 VAL 47 5.985 8.780 2.106 163 2HG2 VAL 47 2HG2 VAL 47 6.193 10.148 0.986 164 3HG2 VAL 47 3HG2 VAL 47 5.911 8.511 0.348 165 H ILE 48 H ILE 48 6.456 6.067 -0.812 166 HA ILE 48 HA ILE 48 6.047 4.424 1.588 167 HB ILE 48 HB ILE 48 4.012 4.413 -0.547 168 2HG1 ILE 48 2HG1 ILE 48 3.083 6.535 -0.125 169 1HG2 ILE 48 1HG2 ILE 48 3.944 3.216 1.701 170 2HG2 ILE 48 2HG2 ILE 48 3.674 4.819 2.425 171 3HG2 ILE 48 3HG2 ILE 48 2.510 4.167 1.247 172 1HD1 ILE 48 1HD1 ILE 48 3.360 6.767 2.266 173 2HD1 ILE 48 2HD1 ILE 48 5.133 6.729 2.122 174 3HD1 ILE 48 3HD1 ILE 48 4.222 8.130 1.511 175 H LYS 49 H LYS 49 7.554 4.535 -1.427 176 HA LYS 49 HA LYS 49 6.913 2.071 -2.537 177 2HB LYS 49 2HB LYS 49 9.689 2.790 -2.950 178 2HG LYS 49 2HG LYS 49 8.489 1.643 -4.680 179 2HD LYS 49 2HD LYS 49 6.460 3.358 -5.584 180 2HE LYS 49 2HE LYS 49 6.519 0.788 -3.980 181 1HZ LYS 49 1HZ LYS 49 4.031 0.933 -4.761 182 2HZ LYS 49 2HZ LYS 49 4.500 1.421 -3.276 183 3HZ LYS 49 3HZ LYS 49 4.264 2.520 -4.460 184 HA PRO 50 HA PRO 50 10.351 0.357 0.225 185 2HB PRO 50 2HB PRO 50 12.096 1.768 0.737 186 2HG PRO 50 2HG PRO 50 11.613 4.013 0.532 187 2HD PRO 50 2HD PRO 50 9.880 3.922 -0.976 188 H TRP 51 H TRP 51 7.894 2.322 1.644 189 HA TRP 51 HA TRP 51 7.671 0.730 3.994 190 2HB TRP 51 2HB TRP 51 5.720 2.676 2.750 191 HD1 TRP 51 HD TRP 51 6.418 2.943 6.426 192 HE1 TRP 51 1HE TRP 51 4.396 2.128 7.912 193 HE3 TRP 51 3HE TRP 51 3.836 0.747 2.636 194 HZ2 TRP 51 2HZ TRP 51 1.998 0.688 7.349 195 HZ3 TRP 51 3HZ TRP 51 1.663 -0.341 3.189 196 HH2 TRP 51 HH TRP 51 0.738 -0.394 5.451 197 H ILE 52 H ILE 52 6.114 0.894 0.744 198 HA ILE 52 HA ILE 52 4.228 -1.150 1.368 199 HB ILE 52 HB ILE 52 4.968 0.518 -0.963 200 2HG1 ILE 52 2HG1 ILE 52 2.917 0.449 0.912 201 1HG2 ILE 52 1HG2 ILE 52 3.609 -2.172 -1.260 202 2HG2 ILE 52 2HG2 ILE 52 3.564 -0.877 -2.482 203 3HG2 ILE 52 3HG2 ILE 52 5.117 -1.622 -2.031 204 1HD1 ILE 52 1HD1 ILE 52 3.449 1.849 -1.702 205 2HD1 ILE 52 2HD1 ILE 52 1.850 2.049 -0.947 206 3HD1 ILE 52 3HD1 ILE 52 3.318 2.526 -0.062 207 H THR 53 H THR 53 7.272 -0.973 -0.598 208 HA THR 53 HA THR 53 7.307 -3.665 -1.318 209 HB THR 53 HB THR 53 9.613 -1.700 -0.847 210 HG1 THR 53 1HG THR 53 9.085 -1.204 -3.090 211 1HG2 THR 53 1HG2 THR 53 9.320 -4.332 -2.327 212 2HG2 THR 53 2HG2 THR 53 10.373 -3.067 -3.005 213 3HG2 THR 53 3HG2 THR 53 10.705 -3.729 -1.386 214 H LYS 54 H LYS 54 8.471 -2.006 1.643 215 HA LYS 54 HA LYS 54 9.739 -4.343 2.642 216 2HB LYS 54 2HB LYS 54 8.887 -1.782 4.025 217 2HG LYS 54 2HG LYS 54 11.219 -3.182 5.089 218 2HD LYS 54 2HD LYS 54 8.523 -2.631 6.406 219 2HE LYS 54 2HE LYS 54 11.358 -3.120 7.359 220 1HZ LYS 54 1HZ LYS 54 10.901 -1.165 8.461 221 2HZ LYS 54 2HZ LYS 54 9.303 -1.466 8.614 222 3HZ LYS 54 3HZ LYS 54 10.380 -2.289 9.525 223 H ARG 55 H ARG 55 6.499 -2.834 2.930 224 HA ARG 55 HA ARG 55 5.637 -4.452 5.008 225 2HB ARG 55 2HB ARG 55 3.316 -3.874 3.617 226 2HG ARG 55 2HG ARG 55 3.280 -1.732 4.938 227 2HD ARG 55 2HD ARG 55 3.485 -4.391 5.937 228 HE ARG 55 HE ARG 55 5.677 -3.115 6.980 229 1HH1 ARG 55 2HH2 ARG 55 2.601 -4.069 8.398 230 2HH1 ARG 55 1HH2 ARG 55 3.256 -4.287 9.986 231 1HH2 ARG 55 2HH1 ARG 55 6.541 -3.403 9.076 232 2HH2 ARG 55 1HH1 ARG 55 5.511 -3.906 10.375 233 H VAL 56 H VAL 56 5.279 -4.707 1.403 234 HA VAL 56 HA VAL 56 3.796 -7.087 1.452 235 HB VAL 56 HB VAL 56 4.403 -7.211 -0.921 236 1HG1 VAL 56 1HG1 VAL 56 2.579 -5.717 -0.116 237 2HG1 VAL 56 2HG1 VAL 56 3.742 -4.370 -0.077 238 3HG1 VAL 56 3HG1 VAL 56 3.338 -5.154 -1.624 239 1HG2 VAL 56 1HG2 VAL 56 6.675 -6.557 -1.002 240 2HG2 VAL 56 2HG2 VAL 56 5.784 -5.268 -1.848 241 3HG2 VAL 56 3HG2 VAL 56 6.346 -5.012 -0.179 242 H THR 57 H THR 57 7.324 -6.368 1.321 243 HA THR 57 HA THR 57 8.134 -9.032 0.904 244 HB THR 57 HB THR 57 9.506 -6.586 2.136 245 HG1 THR 57 1HG THR 57 10.301 -6.558 -0.124 246 1HG2 THR 57 1HG2 THR 57 10.756 -9.077 0.873 247 2HG2 THR 57 2HG2 THR 57 11.617 -7.694 1.592 248 3HG2 THR 57 3HG2 THR 57 10.689 -8.802 2.630 249 H GLU 58 H GLU 58 7.490 -7.120 3.882 250 HA GLU 58 HA GLU 58 8.407 -9.200 5.550 251 2HB GLU 58 2HB GLU 58 6.960 -7.741 7.263 252 2HG GLU 58 2HG GLU 58 9.198 -6.132 6.124 253 H ILE 59 H ILE 59 5.352 -8.371 3.967 254 HA ILE 59 HA ILE 59 3.583 -9.730 5.610 255 HB ILE 59 HB ILE 59 3.638 -8.902 2.745 256 2HG1 ILE 59 2HG1 ILE 59 3.055 -7.484 4.880 257 1HG2 ILE 59 1HG2 ILE 59 1.709 -10.867 3.962 258 2HG2 ILE 59 2HG2 ILE 59 1.202 -9.758 2.665 259 3HG2 ILE 59 3HG2 ILE 59 2.527 -10.913 2.381 260 1HD1 ILE 59 1HD1 ILE 59 1.967 -7.547 2.124 261 2HD1 ILE 59 2HD1 ILE 59 0.951 -6.657 3.284 262 3HD1 ILE 59 3HD1 ILE 59 2.651 -6.187 3.046 263 H LEU 60 H LEU 60 5.575 -10.889 2.822 264 HA LEU 60 HA LEU 60 4.754 -13.611 3.503 265 2HB LEU 60 2HB LEU 60 4.670 -13.931 1.333 266 HG LEU 60 HG LEU 60 4.471 -11.270 1.301 267 1HD1 LEU 60 1HD1 LEU 60 7.003 -11.769 -0.289 268 2HD1 LEU 60 2HD1 LEU 60 6.100 -10.239 -0.178 269 3HD1 LEU 60 3HD1 LEU 60 6.904 -10.905 1.263 270 1HD2 LEU 60 1HD2 LEU 60 3.690 -11.454 -0.860 271 2HD2 LEU 60 2HD2 LEU 60 4.973 -12.587 -1.348 272 3HD2 LEU 60 3HD2 LEU 60 3.637 -13.148 -0.314 273 H GLY 61 H GLY 61 7.648 -11.512 2.969 274 1HA GLY 61 1HA GLY 61 9.333 -11.834 4.777 275 2HA GLY 61 2HA GLY 61 9.241 -13.546 4.413 276 H PHE 62 H PHE 62 8.714 -12.338 1.431 277 HA PHE 62 HA PHE 62 11.559 -11.898 0.874 278 2HB PHE 62 2HB PHE 62 11.135 -14.161 0.164 279 HD1 PHE 62 1HD PHE 62 9.317 -15.324 1.185 280 HD2 PHE 62 2HD PHE 62 8.607 -12.761 -2.121 281 HE1 PHE 62 1HE PHE 62 7.002 -16.267 0.950 282 HE2 PHE 62 2HE PHE 62 6.293 -13.703 -2.356 283 HZ PHE 62 HZ PHE 62 5.518 -15.445 -0.817 284 H GLU 63 H GLU 63 11.994 -10.663 -1.101 285 HA GLU 63 HA GLU 63 10.119 -8.589 -1.398 286 2HB GLU 63 2HB GLU 63 12.494 -9.117 -3.221 287 2HG GLU 63 2HG GLU 63 11.866 -6.419 -2.124 288 H ASP 64 H ASP 64 8.237 -8.800 -2.531 289 HA ASP 64 HA ASP 64 7.952 -10.826 -4.458 290 2HB ASP 64 2HB ASP 64 5.696 -10.178 -4.529 291 H ASP 65 H ASP 65 6.208 -9.052 -6.255 292 HA ASP 65 HA ASP 65 7.871 -7.073 -7.335 293 2HB ASP 65 2HB ASP 65 7.564 -8.912 -9.550 294 H VAL 66 H VAL 66 5.430 -9.652 -8.148 295 HA VAL 66 HA VAL 66 3.978 -8.081 -9.963 296 HB VAL 66 HB VAL 66 4.069 -10.679 -9.325 297 1HG1 VAL 66 1HG1 VAL 66 2.935 -10.421 -7.174 298 2HG1 VAL 66 2HG1 VAL 66 1.541 -9.663 -7.980 299 3HG1 VAL 66 3HG1 VAL 66 1.933 -11.370 -8.298 300 1HG2 VAL 66 1HG2 VAL 66 2.820 -9.161 -11.208 301 2HG2 VAL 66 2HG2 VAL 66 2.681 -10.931 -11.091 302 3HG2 VAL 66 3HG2 VAL 66 1.420 -9.891 -10.386 303 H VAL 67 H VAL 67 3.741 -8.631 -6.413 304 HA VAL 67 HA VAL 67 1.337 -7.143 -6.159 305 HB VAL 67 HB VAL 67 1.448 -7.702 -3.964 306 1HG1 VAL 67 1HG1 VAL 67 3.574 -9.673 -4.786 307 2HG1 VAL 67 2HG1 VAL 67 2.135 -9.920 -3.768 308 3HG1 VAL 67 3HG1 VAL 67 1.957 -9.719 -5.529 309 1HG2 VAL 67 1HG2 VAL 67 4.458 -7.371 -4.131 310 2HG2 VAL 67 2HG2 VAL 67 3.287 -6.334 -3.282 311 3HG2 VAL 67 3HG2 VAL 67 3.612 -7.980 -2.688 312 H ILE 68 H ILE 68 4.856 -6.448 -5.778 313 HA ILE 68 HA ILE 68 4.520 -3.851 -4.794 314 HB ILE 68 HB ILE 68 6.787 -5.150 -6.306 315 2HG1 ILE 68 2HG1 ILE 68 5.874 -5.950 -3.938 316 1HG2 ILE 68 1HG2 ILE 68 6.795 -2.568 -4.718 317 2HG2 ILE 68 2HG2 ILE 68 8.203 -3.355 -5.471 318 3HG2 ILE 68 3HG2 ILE 68 6.898 -2.703 -6.490 319 1HD1 ILE 68 1HD1 ILE 68 7.955 -6.963 -3.625 320 2HD1 ILE 68 2HD1 ILE 68 8.069 -6.508 -5.341 321 3HD1 ILE 68 3HD1 ILE 68 8.853 -5.502 -4.100 322 H GLU 69 H GLU 69 4.974 -5.133 -8.151 323 HA GLU 69 HA GLU 69 5.046 -2.705 -9.407 324 2HB GLU 69 2HB GLU 69 3.695 -4.421 -11.182 325 2HG GLU 69 2HG GLU 69 6.632 -4.819 -10.946 326 H PHE 70 H PHE 70 2.234 -4.714 -8.388 327 HA PHE 70 HA PHE 70 0.252 -3.284 -9.682 328 2HB PHE 70 2HB PHE 70 -0.901 -4.128 -7.316 329 HD1 PHE 70 1HD PHE 70 -1.582 -4.197 -10.151 330 HD2 PHE 70 2HD PHE 70 0.069 -7.241 -7.698 331 HE1 PHE 70 1HE PHE 70 -2.565 -5.946 -11.659 332 HE2 PHE 70 2HE PHE 70 -0.912 -8.989 -9.207 333 HZ PHE 70 HZ PHE 70 -2.217 -8.321 -11.170 334 H ILE 71 H ILE 71 1.721 -2.811 -6.405 335 HA ILE 71 HA ILE 71 0.027 -0.613 -5.801 336 HB ILE 71 HB ILE 71 2.609 -1.560 -4.553 337 2HG1 ILE 71 2HG1 ILE 71 0.052 -2.758 -4.606 338 1HG2 ILE 71 1HG2 ILE 71 1.320 -0.289 -2.561 339 2HG2 ILE 71 2HG2 ILE 71 2.528 0.490 -3.610 340 3HG2 ILE 71 3HG2 ILE 71 0.792 0.702 -3.942 341 1HD1 ILE 71 1HD1 ILE 71 1.871 -3.476 -2.373 342 2HD1 ILE 71 2HD1 ILE 71 1.238 -4.486 -3.696 343 3HD1 ILE 71 3HD1 ILE 71 2.652 -3.442 -3.974 344 H PHE 72 H PHE 72 3.353 -1.024 -7.117 345 HA PHE 72 HA PHE 72 3.994 1.702 -7.073 346 2HB PHE 72 2HB PHE 72 5.028 -0.057 -9.278 347 HD1 PHE 72 1HD PHE 72 7.548 -0.729 -7.548 348 HD2 PHE 72 2HD PHE 72 5.425 2.856 -8.358 349 HE1 PHE 72 1HE PHE 72 9.639 0.600 -7.149 350 HE2 PHE 72 2HE PHE 72 7.516 4.184 -7.959 351 HZ PHE 72 HZ PHE 72 9.599 3.041 -7.358 352 H ASN 73 H ASN 73 2.666 -0.446 -9.680 353 HA ASN 73 HA ASN 73 2.626 1.530 -11.613 354 2HB ASN 73 2HB ASN 73 0.655 -0.048 -12.511 355 1HD2 ASN 73 1HD2 ASN 73 3.518 -1.512 -11.005 356 2HD2 ASN 73 2HD2 ASN 73 4.409 -1.812 -12.459 357 H GLN 74 H GLN 74 0.312 0.485 -9.062 358 HA GLN 74 HA GLN 74 -1.803 2.082 -10.042 359 2HB GLN 74 2HB GLN 74 -2.650 1.591 -7.576 360 2HG GLN 74 2HG GLN 74 -3.733 0.395 -9.303 361 1HE2 GLN 74 1HE2 GLN 74 -2.085 -2.416 -9.395 362 2HE2 GLN 74 2HE2 GLN 74 -1.258 -2.289 -10.911 363 H LEU 75 H LEU 75 0.805 2.441 -7.601 364 HA LEU 75 HA LEU 75 -0.239 4.944 -6.665 365 2HB LEU 75 2HB LEU 75 2.024 4.968 -5.477 366 HG LEU 75 HG LEU 75 0.487 2.447 -4.870 367 1HD1 LEU 75 1HD1 LEU 75 2.557 2.900 -3.607 368 2HD1 LEU 75 2HD1 LEU 75 1.871 4.452 -3.068 369 3HD1 LEU 75 3HD1 LEU 75 1.105 2.922 -2.575 370 1HD2 LEU 75 1HD2 LEU 75 -1.345 3.812 -5.006 371 2HD2 LEU 75 2HD2 LEU 75 -0.843 4.125 -3.327 372 3HD2 LEU 75 3HD2 LEU 75 -0.424 5.284 -4.612 373 H GLU 76 H GLU 76 1.070 4.034 -9.560 374 HA GLU 76 HA GLU 76 2.885 6.240 -9.807 375 2HB GLU 76 2HB GLU 76 2.666 5.277 -12.342 376 2HG GLU 76 2HG GLU 76 4.226 3.336 -10.899 377 H VAL 77 H VAL 77 -0.441 5.924 -9.778 378 HA VAL 77 HA VAL 77 -0.827 7.923 -11.885 379 HB VAL 77 HB VAL 77 -3.082 7.248 -11.957 380 1HG1 VAL 77 1HG1 VAL 77 -0.960 5.328 -12.229 381 2HG1 VAL 77 2HG1 VAL 77 -2.434 4.497 -11.677 382 3HG1 VAL 77 3HG1 VAL 77 -2.468 5.475 -13.163 383 1HG2 VAL 77 1HG2 VAL 77 -2.818 6.760 -9.226 384 2HG2 VAL 77 2HG2 VAL 77 -4.268 6.482 -10.221 385 3HG2 VAL 77 3HG2 VAL 77 -3.121 5.152 -9.928 386 H LYS 78 H LYS 78 -3.137 9.170 -11.002 387 HA LYS 78 HA LYS 78 -2.098 10.579 -8.659 388 2HB LYS 78 2HB LYS 78 -3.571 12.420 -9.406 389 2HG LYS 78 2HG LYS 78 -1.137 11.794 -10.387 390 2HD LYS 78 2HD LYS 78 -2.651 12.123 -12.972 391 2HE LYS 78 2HE LYS 78 -0.308 10.300 -12.687 392 1HZ LYS 78 1HZ LYS 78 -1.380 12.234 -14.529 393 2HZ LYS 78 2HZ LYS 78 0.246 12.094 -14.516 394 3HZ LYS 78 3HZ LYS 78 -0.682 10.787 -14.825 395 H ASN 79 H ASN 79 -4.528 8.346 -9.731 396 HA ASN 79 HA ASN 79 -5.744 8.586 -7.116 397 2HB ASN 79 2HB ASN 79 -7.827 7.893 -8.993 398 1HD2 ASN 79 1HD2 ASN 79 -6.306 10.770 -7.535 399 2HD2 ASN 79 2HD2 ASN 79 -7.641 11.243 -6.537 400 HA PRO 80 HA PRO 80 -4.868 4.295 -8.229 401 2HB PRO 80 2HB PRO 80 -2.952 4.100 -6.966 402 2HG PRO 80 2HG PRO 80 -2.580 5.845 -5.505 403 2HD PRO 80 2HD PRO 80 -3.774 7.511 -6.546 404 H ASP 81 H ASP 81 -5.902 2.268 -7.887 405 HA ASP 81 HA ASP 81 -8.457 2.772 -6.632 406 2HB ASP 81 2HB ASP 81 -7.464 0.482 -8.393 407 H SER 82 H SER 82 -7.779 2.522 -4.377 408 HA SER 82 HA SER 82 -6.141 0.654 -3.365 409 2HB SER 82 2HB SER 82 -7.007 2.367 -1.932 410 HG SER 82 HG SER 82 -9.635 1.179 -2.121 411 H LYS 83 H LYS 83 -9.314 0.191 -4.788 412 HA LYS 83 HA LYS 83 -9.979 -2.218 -3.481 413 2HB LYS 83 2HB LYS 83 -11.695 -2.414 -5.168 414 2HG LYS 83 2HG LYS 83 -12.619 -0.020 -5.103 415 2HD LYS 83 2HD LYS 83 -11.660 -1.494 -2.627 416 2HE LYS 83 2HE LYS 83 -12.805 1.264 -2.822 417 1HZ LYS 83 1HZ LYS 83 -14.589 0.768 -1.656 418 2HZ LYS 83 2HZ LYS 83 -14.194 -0.813 -1.554 419 3HZ LYS 83 3HZ LYS 83 -13.650 0.240 -0.429 420 H MET 84 H MET 84 -8.378 -1.456 -6.641 421 HA MET 84 HA MET 84 -7.991 -4.185 -7.226 422 2HB MET 84 2HB MET 84 -6.086 -2.554 -8.635 423 2HG MET 84 2HG MET 84 -8.050 -2.671 -10.421 424 1HE MET 84 1HE MET 84 -6.803 -5.685 -7.971 425 2HE MET 84 2HE MET 84 -8.342 -5.966 -8.821 426 3HE MET 84 3HE MET 84 -6.898 -6.910 -9.261 427 H MET 85 H MET 85 -6.110 -1.652 -5.559 428 HA MET 85 HA MET 85 -3.643 -2.897 -5.674 429 2HB MET 85 2HB MET 85 -4.493 -1.347 -3.214 430 2HG MET 85 2HG MET 85 -2.152 -1.140 -5.170 431 1HE MET 85 1HE MET 85 -2.817 2.602 -4.449 432 2HE MET 85 2HE MET 85 -2.070 1.489 -5.620 433 3HE MET 85 3HE MET 85 -3.765 1.257 -5.129 434 H GLN 86 H GLN 86 -6.205 -2.983 -3.098 435 HA GLN 86 HA GLN 86 -4.751 -4.810 -1.537 436 2HB GLN 86 2HB GLN 86 -7.118 -3.241 -1.285 437 2HG GLN 86 2HG GLN 86 -7.634 -6.074 -0.321 438 1HE2 GLN 86 1HE2 GLN 86 -8.425 -5.024 1.536 439 2HE2 GLN 86 2HE2 GLN 86 -9.932 -4.171 1.539 440 H ILE 87 H ILE 87 -7.184 -5.068 -4.135 441 HA ILE 87 HA ILE 87 -7.822 -7.776 -3.689 442 HB ILE 87 HB ILE 87 -8.213 -5.774 -5.857 443 2HG1 ILE 87 2HG1 ILE 87 -9.683 -6.317 -3.725 444 1HG2 ILE 87 1HG2 ILE 87 -9.303 -7.499 -7.274 445 2HG2 ILE 87 2HG2 ILE 87 -7.537 -7.686 -7.154 446 3HG2 ILE 87 3HG2 ILE 87 -8.610 -8.756 -6.219 447 1HD1 ILE 87 1HD1 ILE 87 -11.689 -6.087 -5.673 448 2HD1 ILE 87 2HD1 ILE 87 -10.832 -4.739 -4.886 449 3HD1 ILE 87 3HD1 ILE 87 -10.254 -5.371 -6.447 450 H ASN 88 H ASN 88 -5.340 -6.069 -5.660 451 HA ASN 88 HA ASN 88 -4.457 -8.352 -6.971 452 2HB ASN 88 2HB ASN 88 -2.211 -6.775 -6.907 453 1HD2 ASN 88 1HD2 ASN 88 -3.639 -4.383 -8.197 454 2HD2 ASN 88 2HD2 ASN 88 -4.096 -4.940 -9.773 455 H LEU 89 H LEU 89 -3.598 -6.721 -3.872 456 HA LEU 89 HA LEU 89 -1.287 -8.166 -3.302 457 2HB LEU 89 2HB LEU 89 -1.996 -7.553 -0.885 458 HG LEU 89 HG LEU 89 -1.807 -5.181 -2.743 459 1HD1 LEU 89 1HD1 LEU 89 -1.576 -4.019 -0.872 460 2HD1 LEU 89 2HD1 LEU 89 -1.816 -5.504 0.079 461 3HD1 LEU 89 3HD1 LEU 89 -0.175 -5.011 -0.403 462 1HD2 LEU 89 1HD2 LEU 89 0.781 -5.639 -2.143 463 2HD2 LEU 89 2HD2 LEU 89 0.192 -7.314 -2.253 464 3HD2 LEU 89 3HD2 LEU 89 -0.005 -6.209 -3.634 465 H THR 90 H THR 90 -4.768 -8.867 -2.772 466 HA THR 90 HA THR 90 -4.446 -11.081 -1.109 467 HB THR 90 HB THR 90 -6.634 -10.853 -3.203 468 HG1 THR 90 1HG THR 90 -6.262 -9.278 -0.757 469 1HG2 THR 90 1HG2 THR 90 -7.304 -10.928 -0.327 470 2HG2 THR 90 2HG2 THR 90 -7.877 -11.984 -1.641 471 3HG2 THR 90 3HG2 THR 90 -6.333 -12.334 -0.827 472 H GLY 91 H GLY 91 -4.012 -10.706 -4.614 473 1HA GLY 91 1HA GLY 91 -4.149 -13.415 -5.329 474 2HA GLY 91 2HA GLY 91 -3.298 -12.144 -6.186 475 H PHE 92 H PHE 92 -1.875 -11.708 -3.336 476 HA PHE 92 HA PHE 92 0.020 -13.921 -3.691 477 2HB PHE 92 2HB PHE 92 1.296 -11.582 -2.598 478 HD1 PHE 92 1HD PHE 92 0.419 -12.731 -6.052 479 HD2 PHE 92 2HD PHE 92 3.479 -11.879 -3.238 480 HE1 PHE 92 1HE PHE 92 2.154 -13.389 -7.741 481 HE2 PHE 92 2HE PHE 92 5.215 -12.536 -4.927 482 HZ PHE 92 HZ PHE 92 4.531 -13.284 -7.159 483 H LEU 93 H LEU 93 -1.035 -11.252 -1.456 484 HA LEU 93 HA LEU 93 0.099 -12.311 0.833 485 2HB LEU 93 2HB LEU 93 -1.330 -10.821 2.032 486 HG LEU 93 HG LEU 93 -1.107 -9.292 -0.533 487 1HD1 LEU 93 1HD1 LEU 93 -0.904 -7.459 0.793 488 2HD1 LEU 93 2HD1 LEU 93 -1.805 -8.504 1.917 489 3HD1 LEU 93 3HD1 LEU 93 -0.040 -8.337 2.078 490 1HD2 LEU 93 1HD2 LEU 93 1.390 -8.953 0.319 491 2HD2 LEU 93 2HD2 LEU 93 1.150 -10.624 0.887 492 3HD2 LEU 93 3HD2 LEU 93 0.943 -10.230 -0.838 493 H ASN 94 H ASN 94 -1.971 -12.619 2.727 494 HA ASN 94 HA ASN 94 -2.791 -15.276 1.983 495 2HB ASN 94 2HB ASN 94 -3.584 -15.241 4.488 496 1HD2 ASN 94 1HD2 ASN 94 -0.484 -13.624 3.996 497 2HD2 ASN 94 2HD2 ASN 94 0.541 -14.989 4.287 498 H GLY 95 H GLY 95 -3.998 -12.005 2.297 499 1HA GLY 95 1HA GLY 95 -6.209 -11.799 1.132 500 2HA GLY 95 2HA GLY 95 -6.796 -12.961 2.307 501 H LYS 96 H LYS 96 -6.023 -12.295 4.737 502 HA LYS 96 HA LYS 96 -7.373 -9.854 5.231 503 2HB LYS 96 2HB LYS 96 -6.213 -10.531 7.613 504 2HG LYS 96 2HG LYS 96 -8.742 -10.481 6.555 505 2HD LYS 96 2HD LYS 96 -7.914 -13.369 6.910 506 2HE LYS 96 2HE LYS 96 -10.837 -12.692 6.947 507 1HZ LYS 96 1HZ LYS 96 -9.328 -14.915 7.186 508 2HZ LYS 96 2HZ LYS 96 -9.783 -14.626 8.728 509 3HZ LYS 96 3HZ LYS 96 -10.913 -14.799 7.561 510 H ASN 97 H ASN 97 -4.012 -10.821 4.736 511 HA ASN 97 HA ASN 97 -2.841 -8.662 6.034 512 2HB ASN 97 2HB ASN 97 -1.180 -9.351 3.826 513 1HD2 ASN 97 1HD2 ASN 97 -0.509 -8.088 5.906 514 2HD2 ASN 97 2HD2 ASN 97 0.340 -9.011 7.100 515 H ALA 98 H ALA 98 -4.293 -9.177 2.808 516 HA ALA 98 HA ALA 98 -3.186 -6.919 1.543 517 1HB ALA 98 1HB ALA 98 -5.569 -7.391 0.260 518 2HB ALA 98 2HB ALA 98 -4.058 -8.277 -0.055 519 3HB ALA 98 3HB ALA 98 -5.275 -8.959 1.050 520 H ARG 99 H ARG 99 -6.252 -7.512 3.368 521 HA ARG 99 HA ARG 99 -7.223 -4.938 2.920 522 2HB ARG 99 2HB ARG 99 -8.829 -5.505 4.774 523 2HG ARG 99 2HG ARG 99 -8.641 -8.130 3.395 524 2HD ARG 99 2HD ARG 99 -10.911 -7.045 2.487 525 HE ARG 99 HE ARG 99 -10.283 -8.480 4.908 526 1HH1 ARG 99 2HH2 ARG 99 -12.884 -6.677 3.372 527 2HH1 ARG 99 1HH2 ARG 99 -14.139 -7.512 4.225 528 1HH2 ARG 99 2HH1 ARG 99 -11.938 -9.582 6.035 529 2HH2 ARG 99 1HH1 ARG 99 -13.597 -9.175 5.750 530 H GLU 100 H GLU 100 -5.347 -6.493 5.587 531 HA GLU 100 HA GLU 100 -5.433 -4.231 7.245 532 2HB GLU 100 2HB GLU 100 -3.603 -5.433 8.497 533 2HG GLU 100 2HG GLU 100 -5.055 -7.737 8.502 534 H PHE 101 H PHE 101 -3.225 -5.408 4.684 535 HA PHE 101 HA PHE 101 -1.087 -3.710 5.222 536 2HB PHE 101 2HB PHE 101 -2.296 -5.085 2.769 537 HD1 PHE 101 1HD PHE 101 -2.160 -3.130 1.237 538 HD2 PHE 101 2HD PHE 101 1.280 -4.703 3.161 539 HE1 PHE 101 1HE PHE 101 -0.690 -1.932 -0.409 540 HE2 PHE 101 2HE PHE 101 2.749 -3.505 1.517 541 HZ PHE 101 HZ PHE 101 1.746 -2.133 -0.249 542 H MET 102 H MET 102 -4.023 -3.289 3.150 543 HA MET 102 HA MET 102 -3.188 -0.791 2.183 544 2HB MET 102 2HB MET 102 -5.907 -0.756 1.852 545 2HG MET 102 2HG MET 102 -4.675 -2.891 0.198 546 1HE MET 102 1HE MET 102 -5.522 1.295 -1.076 547 2HE MET 102 2HE MET 102 -4.037 0.486 -0.521 548 3HE MET 102 3HE MET 102 -4.558 0.323 -2.215 549 H GLY 103 H GLY 103 -4.999 -1.887 5.048 550 1HA GLY 103 1HA GLY 103 -6.070 0.671 5.727 551 2HA GLY 103 2HA GLY 103 -5.992 -0.759 6.736 552 H GLU 104 H GLU 104 -2.918 -0.046 5.358 553 HA GLU 104 HA GLU 104 -2.202 1.483 7.735 554 2HB GLU 104 2HB GLU 104 0.086 0.176 7.432 555 2HG GLU 104 2HG GLU 104 -1.905 -1.735 8.493 556 H LEU 105 H LEU 105 -1.823 0.797 4.277 557 HA LEU 105 HA LEU 105 0.159 2.928 4.051 558 2HB LEU 105 2HB LEU 105 -0.315 0.448 2.716 559 HG LEU 105 HG LEU 105 0.185 1.186 0.400 560 1HD1 LEU 105 1HD1 LEU 105 -2.296 0.921 1.656 561 2HD1 LEU 105 2HD1 LEU 105 -2.456 2.361 0.621 562 3HD1 LEU 105 3HD1 LEU 105 -1.950 0.808 -0.086 563 1HD2 LEU 105 1HD2 LEU 105 0.438 3.312 -0.212 564 2HD2 LEU 105 2HD2 LEU 105 -1.050 3.816 0.624 565 3HD2 LEU 105 3HD2 LEU 105 0.482 3.703 1.524 566 H TRP 106 H TRP 106 -3.201 2.019 3.251 567 HA TRP 106 HA TRP 106 -3.727 4.089 1.459 568 2HB TRP 106 2HB TRP 106 -5.741 2.928 3.370 569 HD1 TRP 106 HD TRP 106 -7.994 4.062 2.721 570 HE1 TRP 106 1HE TRP 106 -9.195 5.011 0.572 571 HE3 TRP 106 3HE TRP 106 -4.158 3.116 -0.480 572 HZ2 TRP 106 2HZ TRP 106 -8.423 5.254 -2.164 573 HZ3 TRP 106 3HZ TRP 106 -4.464 3.740 -2.875 574 HH2 TRP 106 HH TRP 106 -6.506 4.774 -3.731 575 HA PRO 107 HA PRO 107 -4.789 6.466 5.442 576 2HB PRO 107 2HB PRO 107 -5.434 5.221 7.268 577 2HG PRO 107 2HG PRO 107 -4.785 3.009 7.203 578 2HD PRO 107 2HD PRO 107 -4.556 2.717 4.934 579 H LEU 108 H LEU 108 -1.690 4.981 5.107 580 HA LEU 108 HA LEU 108 -0.183 6.937 6.380 581 2HB LEU 108 2HB LEU 108 1.103 5.791 4.042 582 HG LEU 108 HG LEU 108 1.808 6.319 6.702 583 1HD1 LEU 108 1HD1 LEU 108 2.656 4.173 7.539 584 2HD1 LEU 108 2HD1 LEU 108 0.882 4.181 7.408 585 3HD1 LEU 108 3HD1 LEU 108 1.860 3.333 6.186 586 1HD2 LEU 108 1HD2 LEU 108 3.055 6.087 4.308 587 2HD2 LEU 108 2HD2 LEU 108 3.897 6.230 5.870 588 3HD2 LEU 108 3HD2 LEU 108 3.655 4.628 5.132 589 H LEU 109 H LEU 109 -1.442 6.701 3.009 590 HA LEU 109 HA LEU 109 -0.146 9.088 2.184 591 2HB LEU 109 2HB LEU 109 -1.348 8.815 0.155 592 HG LEU 109 HG LEU 109 -0.771 6.046 1.247 593 1HD1 LEU 109 1HD1 LEU 109 -1.701 5.264 -0.612 594 2HD1 LEU 109 2HD1 LEU 109 -1.948 6.905 -1.255 595 3HD1 LEU 109 3HD1 LEU 109 -0.403 6.066 -1.528 596 1HD2 LEU 109 1HD2 LEU 109 1.396 6.437 0.960 597 2HD2 LEU 109 2HD2 LEU 109 1.131 7.086 -0.676 598 3HD2 LEU 109 3HD2 LEU 109 0.992 8.157 0.739 599 H LEU 110 H LEU 110 -3.247 8.249 3.720 600 HA LEU 110 HA LEU 110 -4.660 10.552 3.170 601 2HB LEU 110 2HB LEU 110 -5.566 9.959 5.611 602 HG LEU 110 HG LEU 110 -7.203 9.463 4.136 603 1HD1 LEU 110 1HD1 LEU 110 -6.205 9.678 2.075 604 2HD1 LEU 110 2HD1 LEU 110 -4.997 8.411 2.399 605 3HD1 LEU 110 3HD1 LEU 110 -6.684 7.964 2.050 606 1HD2 LEU 110 1HD2 LEU 110 -6.575 7.356 5.633 607 2HD2 LEU 110 2HD2 LEU 110 -7.901 7.319 4.446 608 3HD2 LEU 110 3HD2 LEU 110 -6.318 6.617 4.033 609 H SER 111 H SER 111 -2.225 9.872 5.748 610 HA SER 111 HA SER 111 -2.538 12.474 6.830 611 2HB SER 111 2HB SER 111 -0.095 10.804 7.375 612 HG SER 111 HG SER 111 -1.956 11.864 9.287 613 H ALA 112 H ALA 112 -0.438 10.838 4.458 614 HA ALA 112 HA ALA 112 1.595 12.778 4.385 615 1HB ALA 112 1HB ALA 112 2.241 11.652 2.323 616 2HB ALA 112 2HB ALA 112 1.740 10.435 3.520 617 3HB ALA 112 3HB ALA 112 0.639 10.888 2.198 618 H GLN 113 H GLN 113 -1.461 12.309 2.505 619 HA GLN 113 HA GLN 113 -1.022 14.440 0.791 620 2HB GLN 113 2HB GLN 113 -2.693 12.663 0.381 621 2HG GLN 113 2HG GLN 113 -4.002 13.913 2.820 622 1HE2 GLN 113 1HE2 GLN 113 -4.691 11.354 0.442 623 2HE2 GLN 113 2HE2 GLN 113 -6.361 11.736 0.184 624 H GLU 114 H GLU 114 -1.670 14.378 4.167 625 HA GLU 114 HA GLU 114 -3.010 16.925 4.139 626 2HB GLU 114 2HB GLU 114 -2.943 16.593 6.677 627 2HG GLU 114 2HG GLU 114 -4.213 14.107 6.014 628 H ASN 115 H ASN 115 0.180 15.743 3.999 629 HA ASN 115 HA ASN 115 1.284 17.859 5.591 630 2HB ASN 115 2HB ASN 115 3.282 16.517 3.980 631 1HD2 ASN 115 1HD2 ASN 115 1.735 15.182 6.849 632 2HD2 ASN 115 2HD2 ASN 115 2.932 15.657 8.007 633 H ILE 116 H ILE 116 3.622 18.453 4.015 634 HA ILE 116 HA ILE 116 2.382 19.826 1.737 635 HB ILE 116 HB ILE 116 3.364 21.114 3.735 636 2HG1 ILE 116 2HG1 ILE 116 3.654 22.938 2.378 637 1HG2 ILE 116 1HG2 ILE 116 5.846 21.607 3.337 638 2HG2 ILE 116 2HG2 ILE 116 5.424 20.073 4.135 639 3HG2 ILE 116 3HG2 ILE 116 5.872 20.086 2.412 640 1HD1 ILE 116 1HD1 ILE 116 5.347 21.069 0.772 641 2HD1 ILE 116 2HD1 ILE 116 4.505 22.344 -0.141 642 3HD1 ILE 116 3HD1 ILE 116 5.615 22.780 1.181 643 H ALA 117 H ALA 117 5.195 17.911 2.903 644 HA ALA 117 HA ALA 117 6.259 17.783 0.213 645 1HB ALA 117 1HB ALA 117 7.688 18.039 2.268 646 2HB ALA 117 2HB ALA 117 7.182 16.408 2.767 647 3HB ALA 117 3HB ALA 117 8.113 16.631 1.267 648 H GLY 118 H GLY 118 3.598 16.490 1.526 649 1HA GLY 118 1HA GLY 118 2.361 14.661 1.110 650 2HA GLY 118 2HA GLY 118 3.388 14.370 -0.279 651 H ILE 119 H ILE 119 4.363 14.480 3.200 652 HA ILE 119 HA ILE 119 5.050 11.633 2.952 653 HB ILE 119 HB ILE 119 6.649 13.964 3.744 654 2HG1 ILE 119 2HG1 ILE 119 7.115 11.221 2.594 655 1HG2 ILE 119 1HG2 ILE 119 6.800 11.423 5.390 656 2HG2 ILE 119 2HG2 ILE 119 7.940 12.787 5.452 657 3HG2 ILE 119 3HG2 ILE 119 6.251 13.016 5.964 658 1HD1 ILE 119 1HD1 ILE 119 8.377 12.819 0.943 659 2HD1 ILE 119 2HD1 ILE 119 6.598 12.781 0.894 660 3HD1 ILE 119 3HD1 ILE 119 7.437 14.109 1.730 661 HA PRO 120 HA PRO 120 2.465 11.197 6.395 662 2HB PRO 120 2HB PRO 120 1.949 9.031 5.810 663 2HG PRO 120 2HG PRO 120 3.457 8.035 4.377 664 2HD PRO 120 2HD PRO 120 4.370 9.897 3.386 665 H SER 121 H SER 121 2.343 11.314 8.650 666 HA SER 121 HA SER 121 4.620 12.392 9.764 667 2HB SER 121 2HB SER 121 2.443 12.897 10.686 668 HG SER 121 HG SER 121 2.057 10.416 11.948 669 H ALA 122 H ALA 122 3.767 9.101 9.122 670 HA ALA 122 HA ALA 122 4.947 7.790 11.276 671 1HB ALA 122 1HB ALA 122 3.636 6.430 9.929 672 2HB ALA 122 2HB ALA 122 4.265 7.136 8.420 673 3HB ALA 122 3HB ALA 122 5.263 5.992 9.351 674 H PHE 123 H PHE 123 6.298 9.473 8.468 675 HA PHE 123 HA PHE 123 8.933 8.377 9.081 676 2HB PHE 123 2HB PHE 123 9.482 9.410 6.867 677 HD1 PHE 123 1HD PHE 123 7.880 6.859 8.093 678 HD2 PHE 123 2HD PHE 123 7.609 9.245 4.594 679 HE1 PHE 123 1HE PHE 123 6.839 4.935 6.862 680 HE2 PHE 123 2HE PHE 123 6.568 7.321 3.362 681 HZ PHE 123 HZ PHE 123 6.196 5.189 4.512 682 H LEU 124 H LEU 124 7.060 11.447 8.875 683 HA LEU 124 HA LEU 124 9.067 13.261 9.198 684 2HB LEU 124 2HB LEU 124 7.371 14.701 10.227 685 HG LEU 124 HG LEU 124 6.167 13.028 8.004 686 1HD1 LEU 124 1HD1 LEU 124 4.604 14.716 7.636 687 2HD1 LEU 124 2HD1 LEU 124 4.651 14.569 9.409 688 3HD1 LEU 124 3HD1 LEU 124 5.508 15.905 8.604 689 1HD2 LEU 124 1HD2 LEU 124 8.264 13.838 7.231 690 2HD2 LEU 124 2HD2 LEU 124 7.011 14.896 6.541 691 3HD2 LEU 124 3HD2 LEU 124 7.978 15.450 7.928 692 H GLU 125 H GLU 125 7.095 11.916 11.945 693 HA GLU 125 HA GLU 125 8.822 12.885 13.869 694 2HB GLU 125 2HB GLU 125 6.932 10.495 14.019 695 2HG GLU 125 2HG GLU 125 8.783 11.497 15.936 696 H LEU 126 H LEU 126 8.300 9.347 13.239 697 HA LEU 126 HA LEU 126 10.675 8.549 14.392 698 2HB LEU 126 2HB LEU 126 10.267 6.524 12.761 699 HG LEU 126 HG LEU 126 8.773 7.346 15.182 700 1HD1 LEU 126 1HD1 LEU 126 7.540 5.656 13.079 701 2HD1 LEU 126 2HD1 LEU 126 7.443 5.048 14.749 702 3HD1 LEU 126 3HD1 LEU 126 6.790 6.654 14.347 703 1HD2 LEU 126 1HD2 LEU 126 9.687 4.559 14.681 704 2HD2 LEU 126 2HD2 LEU 126 10.934 5.824 14.784 705 3HD2 LEU 126 3HD2 LEU 126 9.810 5.569 16.141 706 H LYS 127 H LYS 127 12.725 9.060 13.866 707 HA LYS 127 HA LYS 127 13.322 9.291 10.999 708 2HB LYS 127 2HB LYS 127 13.262 11.497 12.162 709 2HG LYS 127 2HG LYS 127 15.876 11.086 13.456 710 2HD LYS 127 2HD LYS 127 14.575 12.216 15.361 711 2HE LYS 127 2HE LYS 127 14.956 13.348 12.594 712 1HZ LYS 127 1HZ LYS 127 13.088 14.331 14.452 713 2HZ LYS 127 2HZ LYS 127 14.287 15.417 14.233 714 3HZ LYS 127 3HZ LYS 127 13.430 14.877 12.951 715 H LYS 128 H LYS 128 13.755 6.948 11.146 716 HA LYS 128 HA LYS 128 16.511 6.513 11.682 717 2HB LYS 128 2HB LYS 128 15.488 6.366 13.986 718 2HG LYS 128 2HG LYS 128 13.420 5.055 12.948 719 2HD LYS 128 2HD LYS 128 15.504 3.168 12.539 720 2HE LYS 128 2HE LYS 128 13.772 1.506 14.120 721 1HZ LYS 128 1HZ LYS 128 15.982 1.275 15.319 722 2HZ LYS 128 2HZ LYS 128 15.925 0.836 13.747 723 3HZ LYS 128 3HZ LYS 128 16.590 2.266 14.172 724 H GLU 129 H GLU 129 17.151 4.255 11.017 725 HA GLU 129 HA GLU 129 17.180 2.990 9.190 726 2HB GLU 129 2HB GLU 129 14.767 2.076 10.792 727 2HG GLU 129 2HG GLU 129 14.574 1.276 8.400 728 H GLU 130 H GLU 130 16.887 4.367 7.378 729 HA GLU 130 HA GLU 130 14.474 3.886 5.981 730 2HB GLU 130 2HB GLU 130 14.980 6.829 6.273 731 2HG GLU 130 2HG GLU 130 12.625 4.973 5.809 732 H ILE 131 H ILE 131 14.833 4.015 3.751 733 HA ILE 131 HA ILE 131 17.365 3.933 2.783 734 HB ILE 131 HB ILE 131 14.767 4.716 1.480 735 2HG1 ILE 131 2HG1 ILE 131 14.515 2.504 0.931 736 1HG2 ILE 131 1HG2 ILE 131 16.393 5.738 0.091 737 2HG2 ILE 131 2HG2 ILE 131 17.485 4.337 0.212 738 3HG2 ILE 131 3HG2 ILE 131 15.956 4.198 -0.688 739 1HD1 ILE 131 1HD1 ILE 131 17.511 2.099 1.355 740 2HD1 ILE 131 2HD1 ILE 131 16.355 0.864 0.803 741 3HD1 ILE 131 3HD1 ILE 131 16.714 2.270 -0.228 742 H LYS 132 H LYS 132 18.993 5.376 2.916 743 HA LYS 132 HA LYS 132 18.498 8.110 3.416 744 2HB LYS 132 2HB LYS 132 20.993 8.285 3.086 745 2HG LYS 132 2HG LYS 132 20.754 5.941 4.865 746 2HD LYS 132 2HD LYS 132 21.365 8.908 5.211 747 2HE LYS 132 2HE LYS 132 21.779 6.773 7.334 748 1HZ LYS 132 1HZ LYS 132 22.499 8.496 8.492 749 2HZ LYS 132 2HZ LYS 132 22.588 9.324 7.088 750 3HZ LYS 132 3HZ LYS 132 21.271 9.474 8.040 751 H GLN 133 H GLN 133 20.605 6.988 0.726 752 HA GLN 133 HA GLN 133 20.334 9.086 -0.855 753 2HB GLN 133 2HB GLN 133 21.820 7.508 -1.682 754 2HG GLN 133 2HG GLN 133 19.658 5.540 -0.941 755 1HE2 GLN 133 1HE2 GLN 133 19.456 5.736 -3.541 756 2HE2 GLN 133 2HE2 GLN 133 20.239 4.446 -4.393 757 H ARG 134 H ARG 134 18.797 10.082 -2.131 758 HA ARG 134 HA ARG 134 16.628 8.600 -3.157 759 2HB ARG 134 2HB ARG 134 15.840 8.969 -0.801 760 2HG ARG 134 2HG ARG 134 17.028 11.501 -1.118 761 2HD ARG 134 2HD ARG 134 14.187 11.643 -1.806 762 HE ARG 134 HE ARG 134 14.723 13.627 0.289 763 1HH1 ARG 134 2HH2 ARG 134 13.295 10.492 -0.428 764 2HH1 ARG 134 1HH2 ARG 134 12.232 10.521 0.939 765 1HH2 ARG 134 2HH1 ARG 134 13.321 13.666 2.092 766 2HH2 ARG 134 1HH1 ARG 134 12.248 12.339 2.383 Start of MODEL 11 1 1H SER 24 H SER 24 -8.575 -7.160 -10.153 2 HA SER 24 HA SER 24 -9.928 -8.692 -11.705 3 2HB SER 24 2HB SER 24 -9.320 -7.414 -13.734 4 HG SER 24 HG SER 24 -6.644 -8.454 -13.402 5 H HIS 25 H HIS 25 -8.294 -10.691 -12.746 6 HA HIS 25 HA HIS 25 -6.699 -12.169 -12.313 7 2HB HIS 25 2HB HIS 25 -5.447 -11.037 -9.937 8 HD1 HIS 25 1HD HIS 25 -5.172 -12.031 -13.590 9 HD2 HIS 25 2HD HIS 25 -2.710 -11.510 -10.233 10 HE1 HIS 25 1HE HIS 25 -2.891 -12.986 -14.221 11 H MET 26 H MET 26 -8.072 -10.630 -9.331 12 HA MET 26 HA MET 26 -9.441 -13.003 -8.704 13 2HB MET 26 2HB MET 26 -7.293 -13.804 -7.882 14 2HG MET 26 2HG MET 26 -6.464 -12.014 -5.880 15 1HE MET 26 1HE MET 26 -4.216 -10.469 -6.700 16 2HE MET 26 2HE MET 26 -3.284 -10.885 -8.158 17 3HE MET 26 3HE MET 26 -4.852 -10.057 -8.311 18 H GLN 27 H GLN 27 -11.343 -12.060 -8.095 19 HA GLN 27 HA GLN 27 -11.259 -9.510 -6.808 20 2HB GLN 27 2HB GLN 27 -13.797 -9.756 -6.909 21 2HG GLN 27 2HG GLN 27 -13.434 -10.236 -9.657 22 1HE2 GLN 27 1HE2 GLN 27 -11.974 -7.635 -10.030 23 2HE2 GLN 27 2HE2 GLN 27 -13.101 -6.393 -9.600 24 H LEU 28 H LEU 28 -12.144 -9.033 -4.691 25 HA LEU 28 HA LEU 28 -13.045 -11.150 -3.020 26 2HB LEU 28 2HB LEU 28 -10.853 -11.849 -2.779 27 HG LEU 28 HG LEU 28 -8.964 -10.352 -2.124 28 1HD1 LEU 28 1HD1 LEU 28 -8.272 -9.970 -4.303 29 2HD1 LEU 28 2HD1 LEU 28 -9.501 -11.242 -4.499 30 3HD1 LEU 28 3HD1 LEU 28 -9.908 -9.547 -4.863 31 1HD2 LEU 28 1HD2 LEU 28 -10.529 -8.436 -1.485 32 2HD2 LEU 28 2HD2 LEU 28 -9.034 -8.018 -2.356 33 3HD2 LEU 28 3HD2 LEU 28 -10.588 -8.059 -3.224 34 H LYS 29 H LYS 29 -12.654 -10.006 -0.520 35 HA LYS 29 HA LYS 29 -14.218 -7.575 -0.853 36 2HB LYS 29 2HB LYS 29 -13.656 -9.034 1.732 37 2HG LYS 29 2HG LYS 29 -16.304 -8.077 1.557 38 2HD LYS 29 2HD LYS 29 -13.771 -7.158 2.939 39 2HE LYS 29 2HE LYS 29 -15.061 -5.078 2.476 40 1HZ LYS 29 1HZ LYS 29 -17.234 -6.548 3.799 41 2HZ LYS 29 2HZ LYS 29 -17.260 -4.945 3.487 42 3HZ LYS 29 3HZ LYS 29 -17.223 -6.016 2.254 43 H PHE 30 H PHE 30 -13.665 -5.584 0.192 44 HA PHE 30 HA PHE 30 -10.780 -5.385 0.658 45 2HB PHE 30 2HB PHE 30 -10.990 -3.282 -0.382 46 HD1 PHE 30 1HD PHE 30 -14.261 -2.683 -1.123 47 HD2 PHE 30 2HD PHE 30 -11.200 -5.464 -2.074 48 HE1 PHE 30 1HE PHE 30 -15.417 -3.216 -3.287 49 HE2 PHE 30 2HE PHE 30 -12.355 -5.997 -4.238 50 HZ PHE 30 HZ PHE 30 -14.450 -4.866 -4.819 51 H ALA 31 H ALA 31 -11.091 -2.685 1.852 52 HA ALA 31 HA ALA 31 -12.029 -3.560 4.493 53 1HB ALA 31 1HB ALA 31 -10.264 -1.175 4.188 54 2HB ALA 31 2HB ALA 31 -10.237 -2.470 5.408 55 3HB ALA 31 3HB ALA 31 -9.539 -2.752 3.795 56 H GLU 32 H GLU 32 -12.177 -1.014 5.705 57 HA GLU 32 HA GLU 32 -14.362 0.140 4.154 58 2HB GLU 32 2HB GLU 32 -15.289 0.863 6.396 59 2HG GLU 32 2HG GLU 32 -14.893 -2.118 6.568 60 H CYS 33 H CYS 33 -11.198 0.598 5.325 61 HA CYS 33 HA CYS 33 -11.507 3.443 5.731 62 2HB CYS 33 2HB CYS 33 -8.866 3.122 5.935 63 HG CYS 33 HG CYS 33 -9.624 4.083 7.991 64 H LEU 34 H LEU 34 -11.014 1.160 3.198 65 HA LEU 34 HA LEU 34 -9.247 2.679 1.587 66 2HB LEU 34 2HB LEU 34 -9.604 1.051 -0.047 67 HG LEU 34 HG LEU 34 -10.392 -0.738 2.205 68 1HD1 LEU 34 1HD1 LEU 34 -8.882 -0.871 -0.288 69 2HD1 LEU 34 2HD1 LEU 34 -8.015 -1.608 1.080 70 3HD1 LEU 34 3HD1 LEU 34 -9.652 -2.164 0.661 71 1HD2 LEU 34 1HD2 LEU 34 -8.126 1.177 2.329 72 2HD2 LEU 34 2HD2 LEU 34 -9.066 0.411 3.632 73 3HD2 LEU 34 3HD2 LEU 34 -7.785 -0.504 2.802 74 H GLU 35 H GLU 35 -12.369 3.308 2.659 75 HA GLU 35 HA GLU 35 -13.395 4.321 0.212 76 2HB GLU 35 2HB GLU 35 -15.286 5.078 1.569 77 2HG GLU 35 2HG GLU 35 -14.577 2.550 3.019 78 H LYS 36 H LYS 36 -10.842 5.322 2.012 79 HA LYS 36 HA LYS 36 -11.521 8.164 1.837 80 2HB LYS 36 2HB LYS 36 -9.258 8.270 3.167 81 2HG LYS 36 2HG LYS 36 -11.336 7.012 4.878 82 2HD LYS 36 2HD LYS 36 -10.660 9.937 4.933 83 2HE LYS 36 2HE LYS 36 -11.006 7.680 6.945 84 1HZ LYS 36 1HZ LYS 36 -10.343 10.427 7.671 85 2HZ LYS 36 2HZ LYS 36 -10.274 9.081 8.592 86 3HZ LYS 36 3HZ LYS 36 -9.155 9.333 7.430 87 H LYS 37 H LYS 37 -11.334 8.434 -0.431 88 HA LYS 37 HA LYS 37 -9.422 7.451 -2.072 89 2HB LYS 37 2HB LYS 37 -9.748 9.715 -3.307 90 2HG LYS 37 2HG LYS 37 -11.090 7.397 -3.428 91 2HD LYS 37 2HD LYS 37 -12.723 9.076 -1.674 92 2HE LYS 37 2HE LYS 37 -13.775 9.679 -3.911 93 1HZ LYS 37 1HZ LYS 37 -14.180 8.060 -5.321 94 2HZ LYS 37 2HZ LYS 37 -13.483 6.972 -4.324 95 3HZ LYS 37 3HZ LYS 37 -15.091 7.245 -4.239 96 H VAL 38 H VAL 38 -7.576 8.839 -3.147 97 HA VAL 38 HA VAL 38 -6.096 10.250 -1.054 98 HB VAL 38 HB VAL 38 -4.080 9.041 -1.603 99 1HG1 VAL 38 1HG1 VAL 38 -4.727 7.741 0.093 100 2HG1 VAL 38 2HG1 VAL 38 -6.432 7.820 -0.415 101 3HG1 VAL 38 3HG1 VAL 38 -5.351 6.590 -1.114 102 1HG2 VAL 38 1HG2 VAL 38 -4.091 7.076 -3.079 103 2HG2 VAL 38 2HG2 VAL 38 -5.797 7.382 -3.482 104 3HG2 VAL 38 3HG2 VAL 38 -4.546 8.552 -3.963 105 H ASP 39 H ASP 39 -3.733 10.517 -2.764 106 HA ASP 39 HA ASP 39 -4.419 11.437 -5.277 107 2HB ASP 39 2HB ASP 39 -3.801 13.795 -3.496 108 H MET 40 H MET 40 -2.395 10.475 -5.843 109 HA MET 40 HA MET 40 -0.091 10.768 -4.339 110 2HB MET 40 2HB MET 40 1.026 9.900 -6.433 111 2HG MET 40 2HG MET 40 -0.685 7.949 -6.852 112 1HE MET 40 1HE MET 40 -1.123 9.187 -3.514 113 2HE MET 40 2HE MET 40 -0.412 7.910 -2.499 114 3HE MET 40 3HE MET 40 0.543 9.356 -2.908 115 H SER 41 H SER 41 -1.663 12.898 -6.653 116 HA SER 41 HA SER 41 0.645 14.315 -7.392 117 2HB SER 41 2HB SER 41 -0.849 15.108 -8.885 118 HG SER 41 HG SER 41 -3.302 14.759 -7.818 119 H LYS 42 H LYS 42 -0.935 14.015 -4.425 120 HA LYS 42 HA LYS 42 -0.047 16.696 -3.607 121 2HB LYS 42 2HB LYS 42 -1.847 16.884 -2.134 122 2HG LYS 42 2HG LYS 42 -3.898 16.188 -3.482 123 2HD LYS 42 2HD LYS 42 -2.147 17.319 -5.579 124 2HE LYS 42 2HE LYS 42 -4.285 18.750 -3.962 125 1HZ LYS 42 1HZ LYS 42 -3.421 18.814 -6.770 126 2HZ LYS 42 2HZ LYS 42 -4.680 19.666 -6.171 127 3HZ LYS 42 3HZ LYS 42 -3.163 19.974 -5.650 128 H VAL 43 H VAL 43 -0.243 13.188 -2.885 129 HA VAL 43 HA VAL 43 1.738 13.633 -0.763 130 HB VAL 43 HB VAL 43 0.192 12.521 0.401 131 1HG1 VAL 43 1HG1 VAL 43 -1.506 12.766 -1.364 132 2HG1 VAL 43 2HG1 VAL 43 -0.898 11.292 -2.153 133 3HG1 VAL 43 3HG1 VAL 43 -1.641 11.195 -0.538 134 1HG2 VAL 43 1HG2 VAL 43 0.375 10.031 0.257 135 2HG2 VAL 43 2HG2 VAL 43 1.327 10.230 -1.234 136 3HG2 VAL 43 3HG2 VAL 43 1.945 10.866 0.309 137 H ASN 44 H ASN 44 3.588 12.199 -0.676 138 HA ASN 44 HA ASN 44 4.401 11.479 -3.326 139 2HB ASN 44 2HB ASN 44 6.381 10.694 -1.411 140 1HD2 ASN 44 1HD2 ASN 44 7.843 13.005 -1.200 141 2HD2 ASN 44 2HD2 ASN 44 8.262 13.611 -2.768 142 H LEU 45 H LEU 45 4.708 9.308 -4.033 143 HA LEU 45 HA LEU 45 3.738 7.269 -2.179 144 2HB LEU 45 2HB LEU 45 2.990 7.841 -4.720 145 HG LEU 45 HG LEU 45 3.635 6.038 -6.183 146 1HD1 LEU 45 1HD1 LEU 45 6.372 6.863 -5.657 147 2HD1 LEU 45 2HD1 LEU 45 5.307 7.231 -7.035 148 3HD1 LEU 45 3HD1 LEU 45 5.236 8.230 -5.563 149 1HD2 LEU 45 1HD2 LEU 45 4.748 4.193 -5.592 150 2HD2 LEU 45 2HD2 LEU 45 5.983 5.107 -4.694 151 3HD2 LEU 45 3HD2 LEU 45 4.433 4.705 -3.916 152 H GLU 46 H GLU 46 6.593 8.493 -3.810 153 HA GLU 46 HA GLU 46 8.071 6.171 -3.913 154 2HB GLU 46 2HB GLU 46 9.824 8.354 -3.293 155 2HG GLU 46 2HG GLU 46 8.877 7.005 -5.854 156 H VAL 47 H VAL 47 7.438 8.478 -1.241 157 HA VAL 47 HA VAL 47 9.380 7.369 0.499 158 HB VAL 47 HB VAL 47 8.135 8.678 2.210 159 1HG1 VAL 47 1HG1 VAL 47 8.332 10.863 0.464 160 2HG1 VAL 47 2HG1 VAL 47 9.608 10.211 1.520 161 3HG1 VAL 47 3HG1 VAL 47 9.483 9.662 -0.168 162 1HG2 VAL 47 1HG2 VAL 47 5.992 9.201 1.893 163 2HG2 VAL 47 2HG2 VAL 47 6.466 10.255 0.540 164 3HG2 VAL 47 3HG2 VAL 47 6.051 8.552 0.237 165 H ILE 48 H ILE 48 6.554 6.083 -0.812 166 HA ILE 48 HA ILE 48 6.074 4.466 1.589 167 HB ILE 48 HB ILE 48 4.156 4.447 -0.669 168 2HG1 ILE 48 2HG1 ILE 48 3.136 6.532 -0.145 169 1HG2 ILE 48 1HG2 ILE 48 3.890 4.506 2.349 170 2HG2 ILE 48 2HG2 ILE 48 2.539 4.388 1.197 171 3HG2 ILE 48 3HG2 ILE 48 3.747 3.084 1.288 172 1HD1 ILE 48 1HD1 ILE 48 4.364 8.090 1.513 173 2HD1 ILE 48 2HD1 ILE 48 3.400 6.771 2.219 174 3HD1 ILE 48 3HD1 ILE 48 5.171 6.621 2.114 175 H LYS 49 H LYS 49 7.643 4.535 -1.421 176 HA LYS 49 HA LYS 49 7.099 2.035 -2.471 177 2HB LYS 49 2HB LYS 49 9.871 2.733 -2.834 178 2HG LYS 49 2HG LYS 49 8.673 1.638 -4.597 179 2HD LYS 49 2HD LYS 49 6.694 3.400 -5.513 180 2HE LYS 49 2HE LYS 49 6.885 0.717 -4.362 181 1HZ LYS 49 1HZ LYS 49 5.127 2.318 -3.048 182 2HZ LYS 49 2HZ LYS 49 4.194 1.516 -4.122 183 3HZ LYS 49 3HZ LYS 49 5.120 0.685 -3.065 184 HA PRO 50 HA PRO 50 10.444 0.443 0.473 185 2HB PRO 50 2HB PRO 50 12.117 1.911 1.067 186 2HG PRO 50 2HG PRO 50 11.578 4.140 0.811 187 2HD PRO 50 2HD PRO 50 9.936 3.981 -0.791 188 H TRP 51 H TRP 51 7.868 2.357 1.748 189 HA TRP 51 HA TRP 51 7.557 0.754 4.084 190 2HB TRP 51 2HB TRP 51 5.633 2.674 2.761 191 HD1 TRP 51 HD TRP 51 6.184 2.966 6.459 192 HE1 TRP 51 1HE TRP 51 4.124 2.115 7.871 193 HE3 TRP 51 3HE TRP 51 3.796 0.700 2.584 194 HZ2 TRP 51 2HZ TRP 51 1.780 0.623 7.224 195 HZ3 TRP 51 3HZ TRP 51 1.626 -0.431 3.060 196 HH2 TRP 51 HH TRP 51 0.615 -0.494 5.285 197 H ILE 52 H ILE 52 6.095 0.955 0.785 198 HA ILE 52 HA ILE 52 4.238 -1.139 1.304 199 HB ILE 52 HB ILE 52 5.041 0.567 -0.983 200 2HG1 ILE 52 2HG1 ILE 52 2.897 0.396 0.827 201 1HG2 ILE 52 1HG2 ILE 52 3.991 -2.225 -1.287 202 2HG2 ILE 52 2HG2 ILE 52 3.445 -0.949 -2.402 203 3HG2 ILE 52 3HG2 ILE 52 5.178 -1.336 -2.270 204 1HD1 ILE 52 1HD1 ILE 52 4.002 2.327 -0.642 205 2HD1 ILE 52 2HD1 ILE 52 2.684 1.921 -1.768 206 3HD1 ILE 52 3HD1 ILE 52 2.308 2.451 -0.111 207 H THR 53 H THR 53 7.349 -0.880 -0.547 208 HA THR 53 HA THR 53 7.460 -3.552 -1.318 209 HB THR 53 HB THR 53 9.705 -1.558 -0.702 210 HG1 THR 53 1HG THR 53 7.977 -2.239 -2.972 211 1HG2 THR 53 1HG2 THR 53 10.766 -3.669 -1.169 212 2HG2 THR 53 2HG2 THR 53 9.528 -4.108 -2.369 213 3HG2 THR 53 3HG2 THR 53 10.713 -2.834 -2.739 214 H LYS 54 H LYS 54 8.436 -1.951 1.736 215 HA LYS 54 HA LYS 54 9.690 -4.307 2.734 216 2HB LYS 54 2HB LYS 54 8.791 -1.764 4.122 217 2HG LYS 54 2HG LYS 54 11.060 -3.225 5.258 218 2HD LYS 54 2HD LYS 54 8.332 -2.423 6.378 219 2HE LYS 54 2HE LYS 54 10.880 -3.495 7.626 220 1HZ LYS 54 1HZ LYS 54 9.411 -1.288 8.526 221 2HZ LYS 54 2HZ LYS 54 9.224 -2.522 9.580 222 3HZ LYS 54 3HZ LYS 54 10.721 -1.989 9.205 223 H ARG 55 H ARG 55 6.443 -2.789 2.938 224 HA ARG 55 HA ARG 55 5.510 -4.474 4.936 225 2HB ARG 55 2HB ARG 55 3.231 -3.810 3.530 226 2HG ARG 55 2HG ARG 55 3.097 -1.819 4.963 227 2HD ARG 55 2HD ARG 55 3.774 -4.442 5.920 228 HE ARG 55 HE ARG 55 5.615 -3.874 7.255 229 1HH1 ARG 55 2HH2 ARG 55 3.213 -1.308 7.434 230 2HH1 ARG 55 1HH2 ARG 55 4.035 -0.454 8.699 231 1HH2 ARG 55 2HH1 ARG 55 6.698 -2.747 8.923 232 2HH2 ARG 55 1HH1 ARG 55 6.030 -1.278 9.550 233 H VAL 56 H VAL 56 5.226 -4.566 1.316 234 HA VAL 56 HA VAL 56 3.725 -6.932 1.230 235 HB VAL 56 HB VAL 56 4.465 -6.970 -1.142 236 1HG1 VAL 56 1HG1 VAL 56 3.336 -4.893 -1.784 237 2HG1 VAL 56 2HG1 VAL 56 2.497 -5.678 -0.423 238 3HG1 VAL 56 3HG1 VAL 56 3.535 -4.261 -0.131 239 1HG2 VAL 56 1HG2 VAL 56 5.671 -4.567 -1.617 240 2HG2 VAL 56 2HG2 VAL 56 6.447 -5.047 -0.087 241 3HG2 VAL 56 3HG2 VAL 56 6.526 -6.124 -1.502 242 H THR 57 H THR 57 7.259 -6.241 1.225 243 HA THR 57 HA THR 57 8.034 -8.913 0.725 244 HB THR 57 HB THR 57 9.444 -6.506 1.990 245 HG1 THR 57 1HG THR 57 8.548 -6.577 -0.322 246 1HG2 THR 57 1HG2 THR 57 10.470 -8.951 2.293 247 2HG2 THR 57 2HG2 THR 57 10.814 -8.799 0.554 248 3HG2 THR 57 3HG2 THR 57 11.505 -7.630 1.703 249 H GLU 58 H GLU 58 7.425 -7.036 3.732 250 HA GLU 58 HA GLU 58 8.317 -9.150 5.368 251 2HB GLU 58 2HB GLU 58 6.858 -7.692 7.090 252 2HG GLU 58 2HG GLU 58 9.147 -6.103 6.054 253 H ILE 59 H ILE 59 5.272 -8.276 3.793 254 HA ILE 59 HA ILE 59 3.488 -9.638 5.416 255 HB ILE 59 HB ILE 59 3.561 -8.762 2.568 256 2HG1 ILE 59 2HG1 ILE 59 2.942 -7.403 4.736 257 1HG2 ILE 59 1HG2 ILE 59 1.306 -9.666 2.182 258 2HG2 ILE 59 2HG2 ILE 59 2.517 -10.952 2.399 259 3HG2 ILE 59 3HG2 ILE 59 1.402 -10.547 3.726 260 1HD1 ILE 59 1HD1 ILE 59 0.860 -6.549 3.114 261 2HD1 ILE 59 2HD1 ILE 59 2.560 -6.048 2.941 262 3HD1 ILE 59 3HD1 ILE 59 1.923 -7.388 1.958 263 H LEU 60 H LEU 60 5.490 -10.785 2.632 264 HA LEU 60 HA LEU 60 4.628 -13.506 3.263 265 2HB LEU 60 2HB LEU 60 4.593 -13.793 1.086 266 HG LEU 60 HG LEU 60 4.417 -11.136 1.083 267 1HD1 LEU 60 1HD1 LEU 60 7.049 -11.663 -0.324 268 2HD1 LEU 60 2HD1 LEU 60 6.116 -10.150 -0.420 269 3HD1 LEU 60 3HD1 LEU 60 6.791 -10.682 1.138 270 1HD2 LEU 60 1HD2 LEU 60 3.572 -12.925 -0.572 271 2HD2 LEU 60 2HD2 LEU 60 3.777 -11.254 -1.152 272 3HD2 LEU 60 3HD2 LEU 60 4.998 -12.489 -1.543 273 H GLY 61 H GLY 61 7.556 -11.430 2.845 274 1HA GLY 61 1HA GLY 61 9.194 -11.799 4.678 275 2HA GLY 61 2HA GLY 61 9.086 -13.506 4.297 276 H PHE 62 H PHE 62 8.649 -12.243 1.317 277 HA PHE 62 HA PHE 62 11.513 -11.842 0.833 278 2HB PHE 62 2HB PHE 62 11.090 -14.094 0.096 279 HD1 PHE 62 1HD PHE 62 9.233 -15.233 1.086 280 HD2 PHE 62 2HD PHE 62 8.630 -12.680 -2.250 281 HE1 PHE 62 1HE PHE 62 6.917 -16.158 0.795 282 HE2 PHE 62 2HE PHE 62 6.315 -13.605 -2.541 283 HZ PHE 62 HZ PHE 62 5.486 -15.333 -1.015 284 H GLU 63 H GLU 63 12.001 -10.625 -1.155 285 HA GLU 63 HA GLU 63 10.245 -8.474 -1.446 286 2HB GLU 63 2HB GLU 63 12.476 -9.192 -3.382 287 2HG GLU 63 2HG GLU 63 11.690 -6.489 -2.221 288 H ASP 64 H ASP 64 8.255 -8.693 -2.397 289 HA ASP 64 HA ASP 64 7.725 -10.682 -4.272 290 2HB ASP 64 2HB ASP 64 6.011 -8.233 -4.277 291 H ASP 65 H ASP 65 6.063 -8.899 -6.092 292 HA ASP 65 HA ASP 65 7.754 -7.044 -7.308 293 2HB ASP 65 2HB ASP 65 7.491 -8.839 -9.486 294 H VAL 66 H VAL 66 5.263 -9.623 -7.947 295 HA VAL 66 HA VAL 66 3.823 -8.133 -9.842 296 HB VAL 66 HB VAL 66 3.876 -10.699 -9.009 297 1HG1 VAL 66 1HG1 VAL 66 1.615 -11.221 -8.069 298 2HG1 VAL 66 2HG1 VAL 66 2.682 -10.347 -6.945 299 3HG1 VAL 66 3HG1 VAL 66 1.377 -9.479 -7.790 300 1HG2 VAL 66 1HG2 VAL 66 2.253 -11.123 -10.644 301 2HG2 VAL 66 2HG2 VAL 66 1.378 -9.610 -10.308 302 3HG2 VAL 66 3HG2 VAL 66 2.950 -9.562 -11.141 303 H VAL 67 H VAL 67 3.513 -8.566 -6.269 304 HA VAL 67 HA VAL 67 1.179 -6.960 -6.111 305 HB VAL 67 HB VAL 67 1.284 -7.352 -3.840 306 1HG1 VAL 67 1HG1 VAL 67 1.719 -9.670 -3.567 307 2HG1 VAL 67 2HG1 VAL 67 1.256 -9.458 -5.273 308 3HG1 VAL 67 3HG1 VAL 67 2.970 -9.664 -4.835 309 1HG2 VAL 67 1HG2 VAL 67 3.504 -8.079 -2.728 310 2HG2 VAL 67 2HG2 VAL 67 4.284 -7.410 -4.181 311 3HG2 VAL 67 3HG2 VAL 67 3.289 -6.362 -3.141 312 H ILE 68 H ILE 68 4.717 -6.415 -5.734 313 HA ILE 68 HA ILE 68 4.515 -3.802 -4.767 314 HB ILE 68 HB ILE 68 6.710 -5.123 -6.366 315 2HG1 ILE 68 2HG1 ILE 68 5.890 -6.241 -4.197 316 1HG2 ILE 68 1HG2 ILE 68 6.799 -2.683 -4.569 317 2HG2 ILE 68 2HG2 ILE 68 8.190 -3.456 -5.367 318 3HG2 ILE 68 3HG2 ILE 68 6.918 -2.683 -6.345 319 1HD1 ILE 68 1HD1 ILE 68 8.327 -6.172 -5.401 320 2HD1 ILE 68 2HD1 ILE 68 8.750 -5.443 -3.834 321 3HD1 ILE 68 3HD1 ILE 68 8.021 -7.065 -3.892 322 H GLU 69 H GLU 69 4.896 -5.100 -8.130 323 HA GLU 69 HA GLU 69 5.009 -2.666 -9.377 324 2HB GLU 69 2HB GLU 69 3.634 -4.352 -11.159 325 2HG GLU 69 2HG GLU 69 6.570 -4.786 -10.910 326 H PHE 70 H PHE 70 2.167 -4.649 -8.385 327 HA PHE 70 HA PHE 70 0.207 -3.182 -9.662 328 2HB PHE 70 2HB PHE 70 -0.967 -4.025 -7.312 329 HD1 PHE 70 1HD PHE 70 0.141 -7.138 -7.795 330 HD2 PHE 70 2HD PHE 70 -1.780 -4.094 -10.043 331 HE1 PHE 70 1HE PHE 70 -0.841 -8.879 -9.314 332 HE2 PHE 70 2HE PHE 70 -2.762 -5.836 -11.561 333 HZ PHE 70 HZ PHE 70 -2.280 -8.207 -11.178 334 H ILE 71 H ILE 71 1.681 -2.748 -6.382 335 HA ILE 71 HA ILE 71 0.013 -0.538 -5.757 336 HB ILE 71 HB ILE 71 2.586 -1.551 -4.543 337 2HG1 ILE 71 2HG1 ILE 71 -0.027 -2.625 -4.536 338 1HG2 ILE 71 1HG2 ILE 71 2.623 0.499 -3.602 339 2HG2 ILE 71 2HG2 ILE 71 0.901 0.807 -3.930 340 3HG2 ILE 71 3HG2 ILE 71 1.376 -0.201 -2.542 341 1HD1 ILE 71 1HD1 ILE 71 1.760 -3.447 -2.330 342 2HD1 ILE 71 2HD1 ILE 71 1.117 -4.403 -3.688 343 3HD1 ILE 71 3HD1 ILE 71 2.571 -3.400 -3.915 344 H PHE 72 H PHE 72 3.369 -0.946 -7.025 345 HA PHE 72 HA PHE 72 3.995 1.777 -7.003 346 2HB PHE 72 2HB PHE 72 5.054 0.023 -9.198 347 HD1 PHE 72 1HD PHE 72 5.497 2.906 -8.445 348 HD2 PHE 72 2HD PHE 72 7.497 -0.641 -7.251 349 HE1 PHE 72 1HE PHE 72 7.585 4.230 -8.014 350 HE2 PHE 72 2HE PHE 72 9.585 0.682 -6.818 351 HZ PHE 72 HZ PHE 72 9.604 3.102 -7.205 352 H ASN 73 H ASN 73 2.672 -0.379 -9.603 353 HA ASN 73 HA ASN 73 2.655 1.579 -11.554 354 2HB ASN 73 2HB ASN 73 0.661 0.012 -12.434 355 1HD2 ASN 73 1HD2 ASN 73 3.564 -1.385 -10.930 356 2HD2 ASN 73 2HD2 ASN 73 4.432 -1.724 -12.390 357 H GLN 74 H GLN 74 0.291 0.549 -9.034 358 HA GLN 74 HA GLN 74 -1.792 2.170 -10.023 359 2HB GLN 74 2HB GLN 74 -2.654 1.712 -7.557 360 2HG GLN 74 2HG GLN 74 -3.745 0.503 -9.266 361 1HE2 GLN 74 1HE2 GLN 74 -2.109 -2.312 -9.356 362 2HE2 GLN 74 2HE2 GLN 74 -1.286 -2.192 -10.875 363 H LEU 75 H LEU 75 0.803 2.528 -7.566 364 HA LEU 75 HA LEU 75 -0.220 5.045 -6.652 365 2HB LEU 75 2HB LEU 75 2.047 5.071 -5.475 366 HG LEU 75 HG LEU 75 0.521 2.548 -4.844 367 1HD1 LEU 75 1HD1 LEU 75 1.169 2.987 -2.579 368 2HD1 LEU 75 2HD1 LEU 75 2.618 3.102 -3.607 369 3HD1 LEU 75 3HD1 LEU 75 1.824 4.583 -3.019 370 1HD2 LEU 75 1HD2 LEU 75 -1.284 3.998 -5.097 371 2HD2 LEU 75 2HD2 LEU 75 -0.900 4.108 -3.363 372 3HD2 LEU 75 3HD2 LEU 75 -0.377 5.398 -4.473 373 H GLU 76 H GLU 76 1.245 4.032 -9.499 374 HA GLU 76 HA GLU 76 2.999 6.262 -9.780 375 2HB GLU 76 2HB GLU 76 2.809 5.275 -12.302 376 2HG GLU 76 2HG GLU 76 4.319 3.323 -10.821 377 H VAL 77 H VAL 77 -0.330 5.948 -9.778 378 HA VAL 77 HA VAL 77 -0.693 7.929 -11.907 379 HB VAL 77 HB VAL 77 -2.941 7.249 -12.009 380 1HG1 VAL 77 1HG1 VAL 77 -1.678 4.579 -11.458 381 2HG1 VAL 77 2HG1 VAL 77 -2.737 5.084 -12.796 382 3HG1 VAL 77 3HG1 VAL 77 -1.035 5.603 -12.764 383 1HG2 VAL 77 1HG2 VAL 77 -3.096 5.189 -9.982 384 2HG2 VAL 77 2HG2 VAL 77 -2.678 6.756 -9.249 385 3HG2 VAL 77 3HG2 VAL 77 -4.145 6.602 -10.244 386 H LYS 78 H LYS 78 -2.891 9.306 -11.151 387 HA LYS 78 HA LYS 78 -1.910 10.699 -8.788 388 2HB LYS 78 2HB LYS 78 -2.930 12.610 -9.619 389 2HG LYS 78 2HG LYS 78 -2.180 12.834 -11.862 390 2HD LYS 78 2HD LYS 78 -0.541 10.407 -11.549 391 2HE LYS 78 2HE LYS 78 -0.225 13.053 -12.430 392 1HZ LYS 78 1HZ LYS 78 1.036 14.137 -10.956 393 2HZ LYS 78 2HZ LYS 78 0.232 13.245 -9.850 394 3HZ LYS 78 3HZ LYS 78 1.726 12.793 -10.333 395 H ASN 79 H ASN 79 -4.367 8.476 -9.843 396 HA ASN 79 HA ASN 79 -5.595 8.781 -7.236 397 2HB ASN 79 2HB ASN 79 -7.623 8.002 -9.165 398 1HD2 ASN 79 1HD2 ASN 79 -6.383 11.094 -7.899 399 2HD2 ASN 79 2HD2 ASN 79 -7.711 11.449 -6.845 400 HA PRO 80 HA PRO 80 -4.670 4.459 -8.176 401 2HB PRO 80 2HB PRO 80 -2.768 4.328 -6.885 402 2HG PRO 80 2HG PRO 80 -2.426 6.129 -5.487 403 2HD PRO 80 2HD PRO 80 -3.623 7.745 -6.604 404 H ASP 81 H ASP 81 -5.610 2.384 -7.622 405 HA ASP 81 HA ASP 81 -8.188 2.925 -6.387 406 2HB ASP 81 2HB ASP 81 -7.258 0.693 -8.253 407 H SER 82 H SER 82 -8.137 2.309 -4.214 408 HA SER 82 HA SER 82 -6.234 0.566 -3.200 409 2HB SER 82 2HB SER 82 -7.181 2.119 -1.678 410 HG SER 82 HG SER 82 -9.164 2.784 -2.170 411 H LYS 83 H LYS 83 -9.556 0.116 -4.444 412 HA LYS 83 HA LYS 83 -10.047 -2.412 -3.400 413 2HB LYS 83 2HB LYS 83 -11.528 -2.530 -5.566 414 2HG LYS 83 2HG LYS 83 -11.802 -1.316 -2.987 415 2HD LYS 83 2HD LYS 83 -13.488 0.195 -4.993 416 2HE LYS 83 2HE LYS 83 -12.900 1.851 -2.860 417 1HZ LYS 83 1HZ LYS 83 -15.055 0.303 -3.740 418 2HZ LYS 83 2HZ LYS 83 -15.038 0.308 -2.106 419 3HZ LYS 83 3HZ LYS 83 -15.081 1.720 -2.925 420 H MET 84 H MET 84 -8.465 -1.380 -6.487 421 HA MET 84 HA MET 84 -8.042 -4.017 -7.334 422 2HB MET 84 2HB MET 84 -6.064 -2.327 -8.506 423 2HG MET 84 2HG MET 84 -8.141 -2.040 -10.231 424 1HE MET 84 1HE MET 84 -6.144 -5.345 -8.556 425 2HE MET 84 2HE MET 84 -7.906 -5.402 -8.800 426 3HE MET 84 3HE MET 84 -6.830 -6.342 -9.862 427 H MET 85 H MET 85 -6.171 -1.695 -5.356 428 HA MET 85 HA MET 85 -3.735 -2.999 -5.498 429 2HB MET 85 2HB MET 85 -4.393 -1.746 -2.880 430 2HG MET 85 2HG MET 85 -2.456 -1.152 -5.162 431 1HE MET 85 1HE MET 85 -2.102 2.140 -5.085 432 2HE MET 85 2HE MET 85 -3.182 0.846 -5.654 433 3HE MET 85 3HE MET 85 -3.795 2.092 -4.541 434 H GLN 86 H GLN 86 -6.376 -3.216 -3.007 435 HA GLN 86 HA GLN 86 -5.046 -5.192 -1.543 436 2HB GLN 86 2HB GLN 86 -7.985 -5.203 -1.305 437 2HG GLN 86 2HG GLN 86 -6.314 -3.976 0.814 438 1HE2 GLN 86 1HE2 GLN 86 -8.636 -3.703 1.261 439 2HE2 GLN 86 2HE2 GLN 86 -9.495 -4.975 2.063 440 H ILE 87 H ILE 87 -7.313 -5.229 -4.298 441 HA ILE 87 HA ILE 87 -8.028 -7.935 -4.121 442 HB ILE 87 HB ILE 87 -8.165 -5.769 -6.144 443 2HG1 ILE 87 2HG1 ILE 87 -9.874 -6.535 -4.269 444 1HG2 ILE 87 1HG2 ILE 87 -7.673 -7.153 -7.840 445 2HG2 ILE 87 2HG2 ILE 87 -7.869 -8.616 -6.844 446 3HG2 ILE 87 3HG2 ILE 87 -9.298 -7.817 -7.544 447 1HD1 ILE 87 1HD1 ILE 87 -11.012 -4.908 -5.351 448 2HD1 ILE 87 2HD1 ILE 87 -10.068 -5.197 -6.832 449 3HD1 ILE 87 3HD1 ILE 87 -11.560 -6.120 -6.533 450 H ASN 88 H ASN 88 -5.299 -6.198 -5.700 451 HA ASN 88 HA ASN 88 -4.351 -8.512 -6.976 452 2HB ASN 88 2HB ASN 88 -2.157 -7.010 -7.019 453 1HD2 ASN 88 1HD2 ASN 88 -3.630 -4.394 -7.890 454 2HD2 ASN 88 2HD2 ASN 88 -4.222 -4.761 -9.476 455 H LEU 89 H LEU 89 -3.740 -6.795 -3.869 456 HA LEU 89 HA LEU 89 -1.442 -8.184 -3.113 457 2HB LEU 89 2HB LEU 89 -2.291 -7.501 -0.770 458 HG LEU 89 HG LEU 89 -2.104 -5.150 -2.643 459 1HD1 LEU 89 1HD1 LEU 89 -0.482 -5.025 -0.268 460 2HD1 LEU 89 2HD1 LEU 89 -1.828 -3.979 -0.780 461 3HD1 LEU 89 3HD1 LEU 89 -2.156 -5.457 0.157 462 1HD2 LEU 89 1HD2 LEU 89 -0.028 -7.219 -2.103 463 2HD2 LEU 89 2HD2 LEU 89 -0.311 -6.218 -3.547 464 3HD2 LEU 89 3HD2 LEU 89 0.480 -5.513 -2.118 465 H THR 90 H THR 90 -4.954 -8.851 -2.609 466 HA THR 90 HA THR 90 -4.622 -11.075 -0.955 467 HB THR 90 HB THR 90 -6.841 -10.593 -3.003 468 HG1 THR 90 1HG THR 90 -7.258 -8.801 -1.764 469 1HG2 THR 90 1HG2 THR 90 -7.851 -12.263 -1.810 470 2HG2 THR 90 2HG2 THR 90 -6.483 -12.337 -0.673 471 3HG2 THR 90 3HG2 THR 90 -7.811 -11.183 -0.397 472 H GLY 91 H GLY 91 -3.949 -10.642 -4.351 473 1HA GLY 91 1HA GLY 91 -4.279 -13.350 -5.152 474 2HA GLY 91 2HA GLY 91 -3.387 -12.092 -5.984 475 H PHE 92 H PHE 92 -1.798 -11.566 -3.369 476 HA PHE 92 HA PHE 92 -0.033 -13.896 -3.647 477 2HB PHE 92 2HB PHE 92 1.278 -11.539 -2.582 478 HD1 PHE 92 1HD PHE 92 3.375 -12.474 -2.971 479 HD2 PHE 92 2HD PHE 92 0.587 -12.274 -6.164 480 HE1 PHE 92 1HE PHE 92 5.151 -13.240 -4.571 481 HE2 PHE 92 2HE PHE 92 2.364 -13.040 -7.764 482 HZ PHE 92 HZ PHE 92 4.625 -13.514 -6.948 483 H LEU 93 H LEU 93 -1.253 -11.301 -1.439 484 HA LEU 93 HA LEU 93 -0.023 -12.351 0.858 485 2HB LEU 93 2HB LEU 93 -1.332 -10.786 2.058 486 HG LEU 93 HG LEU 93 -1.326 -9.220 -0.464 487 1HD1 LEU 93 1HD1 LEU 93 -0.484 -8.835 2.396 488 2HD1 LEU 93 2HD1 LEU 93 0.087 -7.730 1.122 489 3HD1 LEU 93 3HD1 LEU 93 -1.658 -7.916 1.424 490 1HD2 LEU 93 1HD2 LEU 93 1.286 -9.072 -0.096 491 2HD2 LEU 93 2HD2 LEU 93 1.062 -10.733 0.506 492 3HD2 LEU 93 3HD2 LEU 93 0.562 -10.311 -1.150 493 H ASN 94 H ASN 94 -2.044 -12.620 2.778 494 HA ASN 94 HA ASN 94 -3.011 -15.219 2.001 495 2HB ASN 94 2HB ASN 94 -3.733 -15.182 4.540 496 1HD2 ASN 94 1HD2 ASN 94 -0.551 -13.770 4.257 497 2HD2 ASN 94 2HD2 ASN 94 0.380 -15.225 4.380 498 H GLY 95 H GLY 95 -4.044 -11.980 1.979 499 1HA GLY 95 1HA GLY 95 -6.201 -11.474 1.106 500 2HA GLY 95 2HA GLY 95 -6.879 -12.798 2.034 501 H LYS 96 H LYS 96 -5.754 -12.440 4.581 502 HA LYS 96 HA LYS 96 -7.315 -10.237 5.497 503 2HB LYS 96 2HB LYS 96 -6.019 -11.098 7.706 504 2HG LYS 96 2HG LYS 96 -8.558 -11.392 6.560 505 2HD LYS 96 2HD LYS 96 -7.459 -14.128 7.364 506 2HE LYS 96 2HE LYS 96 -9.908 -13.476 7.989 507 1HZ LYS 96 1HZ LYS 96 -10.618 -14.131 5.292 508 2HZ LYS 96 2HZ LYS 96 -11.320 -13.084 6.330 509 3HZ LYS 96 3HZ LYS 96 -10.001 -12.631 5.480 510 H ASN 97 H ASN 97 -3.863 -10.925 4.899 511 HA ASN 97 HA ASN 97 -2.892 -8.744 6.323 512 2HB ASN 97 2HB ASN 97 -1.056 -9.139 4.255 513 1HD2 ASN 97 1HD2 ASN 97 -0.570 -8.225 6.522 514 2HD2 ASN 97 2HD2 ASN 97 0.172 -9.315 7.646 515 H ALA 98 H ALA 98 -4.264 -9.218 3.065 516 HA ALA 98 HA ALA 98 -3.286 -6.878 1.869 517 1HB ALA 98 1HB ALA 98 -5.963 -7.850 1.047 518 2HB ALA 98 2HB ALA 98 -4.480 -7.631 0.087 519 3HB ALA 98 3HB ALA 98 -4.692 -9.096 1.075 520 H ARG 99 H ARG 99 -6.181 -7.617 3.876 521 HA ARG 99 HA ARG 99 -7.360 -5.124 3.465 522 2HB ARG 99 2HB ARG 99 -8.677 -5.765 5.581 523 2HG ARG 99 2HG ARG 99 -8.485 -8.092 3.634 524 2HD ARG 99 2HD ARG 99 -10.180 -8.415 5.323 525 HE ARG 99 HE ARG 99 -10.543 -5.508 5.134 526 1HH1 ARG 99 2HH2 ARG 99 -11.963 -8.539 6.221 527 2HH1 ARG 99 1HH2 ARG 99 -12.996 -7.783 7.389 528 1HH2 ARG 99 2HH1 ARG 99 -11.904 -4.512 6.676 529 2HH2 ARG 99 1HH1 ARG 99 -12.962 -5.477 7.649 530 H GLU 100 H GLU 100 -5.093 -6.469 5.919 531 HA GLU 100 HA GLU 100 -5.214 -4.175 7.557 532 2HB GLU 100 2HB GLU 100 -3.116 -5.252 8.593 533 2HG GLU 100 2HG GLU 100 -5.479 -7.152 8.269 534 H PHE 101 H PHE 101 -3.158 -5.308 4.852 535 HA PHE 101 HA PHE 101 -1.085 -3.481 5.162 536 2HB PHE 101 2HB PHE 101 -2.421 -4.902 2.791 537 HD1 PHE 101 1HD PHE 101 -2.274 -2.988 1.228 538 HD2 PHE 101 2HD PHE 101 1.176 -4.574 3.125 539 HE1 PHE 101 1HE PHE 101 -0.815 -1.825 -0.451 540 HE2 PHE 101 2HE PHE 101 2.634 -3.411 1.446 541 HZ PHE 101 HZ PHE 101 1.621 -2.049 -0.321 542 H MET 102 H MET 102 -4.124 -3.305 3.182 543 HA MET 102 HA MET 102 -3.504 -0.731 2.236 544 2HB MET 102 2HB MET 102 -6.140 -0.886 1.753 545 2HG MET 102 2HG MET 102 -5.701 -2.380 -0.181 546 1HE MET 102 1HE MET 102 -5.946 0.705 -0.048 547 2HE MET 102 2HE MET 102 -5.054 1.025 -1.555 548 3HE MET 102 3HE MET 102 -6.083 -0.421 -1.420 549 H GLY 103 H GLY 103 -4.630 -1.903 5.268 550 1HA GLY 103 1HA GLY 103 -6.212 0.445 5.923 551 2HA GLY 103 2HA GLY 103 -5.879 -0.944 6.939 552 H GLU 104 H GLU 104 -2.943 -0.059 5.521 553 HA GLU 104 HA GLU 104 -2.375 1.827 7.665 554 2HB GLU 104 2HB GLU 104 -0.152 0.706 7.977 555 2HG GLU 104 2HG GLU 104 -1.795 -1.652 8.428 556 H LEU 105 H LEU 105 -2.281 0.949 4.344 557 HA LEU 105 HA LEU 105 -0.109 2.829 3.798 558 2HB LEU 105 2HB LEU 105 -1.492 0.930 1.903 559 HG LEU 105 HG LEU 105 1.358 1.677 1.567 560 1HD1 LEU 105 1HD1 LEU 105 0.649 1.623 -0.843 561 2HD1 LEU 105 2HD1 LEU 105 0.425 0.098 0.047 562 3HD1 LEU 105 3HD1 LEU 105 -0.974 1.147 -0.288 563 1HD2 LEU 105 1HD2 LEU 105 -0.854 3.615 0.832 564 2HD2 LEU 105 2HD2 LEU 105 0.402 3.868 2.068 565 3HD2 LEU 105 3HD2 LEU 105 0.855 3.741 0.351 566 H TRP 106 H TRP 106 -3.572 2.109 3.096 567 HA TRP 106 HA TRP 106 -4.009 4.253 1.377 568 2HB TRP 106 2HB TRP 106 -6.113 3.252 3.263 569 HD1 TRP 106 HD TRP 106 -8.214 4.564 2.449 570 HE1 TRP 106 1HE TRP 106 -9.286 5.385 0.182 571 HE3 TRP 106 3HE TRP 106 -4.437 2.929 -0.536 572 HZ2 TRP 106 2HZ TRP 106 -8.452 5.262 -2.544 573 HZ3 TRP 106 3HZ TRP 106 -4.644 3.320 -2.990 574 HH2 TRP 106 HH TRP 106 -6.565 4.442 -4.002 575 HA PRO 107 HA PRO 107 -4.888 6.576 5.438 576 2HB PRO 107 2HB PRO 107 -5.533 5.313 7.252 577 2HG PRO 107 2HG PRO 107 -4.975 3.080 7.119 578 2HD PRO 107 2HD PRO 107 -4.818 2.835 4.838 579 H LEU 108 H LEU 108 -1.861 4.976 4.993 580 HA LEU 108 HA LEU 108 -0.251 6.860 6.259 581 2HB LEU 108 2HB LEU 108 0.908 5.652 3.871 582 HG LEU 108 HG LEU 108 1.781 6.246 6.455 583 1HD1 LEU 108 1HD1 LEU 108 0.786 4.180 7.299 584 2HD1 LEU 108 2HD1 LEU 108 1.696 3.238 6.093 585 3HD1 LEU 108 3HD1 LEU 108 2.564 4.119 7.373 586 1HD2 LEU 108 1HD2 LEU 108 2.847 5.360 3.934 587 2HD2 LEU 108 2HD2 LEU 108 3.615 6.332 5.211 588 3HD2 LEU 108 3HD2 LEU 108 3.702 4.555 5.272 589 H LEU 109 H LEU 109 -1.567 6.689 2.904 590 HA LEU 109 HA LEU 109 -0.207 9.055 2.099 591 2HB LEU 109 2HB LEU 109 -1.339 8.796 0.050 592 HG LEU 109 HG LEU 109 -0.802 6.083 1.263 593 1HD1 LEU 109 1HD1 LEU 109 -2.155 5.222 -0.303 594 2HD1 LEU 109 2HD1 LEU 109 -2.198 6.731 -1.247 595 3HD1 LEU 109 3HD1 LEU 109 -0.827 5.609 -1.423 596 1HD2 LEU 109 1HD2 LEU 109 1.302 6.424 0.648 597 2HD2 LEU 109 2HD2 LEU 109 0.807 6.819 -1.015 598 3HD2 LEU 109 3HD2 LEU 109 0.862 8.096 0.224 599 H LEU 110 H LEU 110 -3.321 8.255 3.621 600 HA LEU 110 HA LEU 110 -4.718 10.562 3.075 601 2HB LEU 110 2HB LEU 110 -5.585 9.992 5.544 602 HG LEU 110 HG LEU 110 -7.258 9.543 4.089 603 1HD1 LEU 110 1HD1 LEU 110 -5.128 8.363 2.326 604 2HD1 LEU 110 2HD1 LEU 110 -6.851 8.059 1.997 605 3HD1 LEU 110 3HD1 LEU 110 -6.230 9.727 2.021 606 1HD2 LEU 110 1HD2 LEU 110 -6.676 7.437 5.596 607 2HD2 LEU 110 2HD2 LEU 110 -8.006 7.413 4.412 608 3HD2 LEU 110 3HD2 LEU 110 -6.438 6.673 4.005 609 H SER 111 H SER 111 -2.292 9.890 5.669 610 HA SER 111 HA SER 111 -2.566 12.516 6.701 611 2HB SER 111 2HB SER 111 -0.108 11.390 7.584 612 HG SER 111 HG SER 111 -2.758 11.669 8.623 613 H ALA 112 H ALA 112 -0.493 10.812 4.355 614 HA ALA 112 HA ALA 112 1.582 12.698 4.258 615 1HB ALA 112 1HB ALA 112 2.208 11.540 2.223 616 2HB ALA 112 2HB ALA 112 1.617 10.335 3.391 617 3HB ALA 112 3HB ALA 112 0.571 10.861 2.051 618 H GLN 113 H GLN 113 -1.497 12.311 2.394 619 HA GLN 113 HA GLN 113 -1.002 14.441 0.686 620 2HB GLN 113 2HB GLN 113 -2.699 12.696 0.250 621 2HG GLN 113 2HG GLN 113 -4.006 13.950 2.690 622 1HE2 GLN 113 1HE2 GLN 113 -4.748 11.356 0.374 623 2HE2 GLN 113 2HE2 GLN 113 -6.399 11.787 0.076 624 H GLU 114 H GLU 114 -1.714 14.353 4.059 625 HA GLU 114 HA GLU 114 -2.996 16.926 4.040 626 2HB GLU 114 2HB GLU 114 -2.972 16.574 6.570 627 2HG GLU 114 2HG GLU 114 -4.247 14.098 5.886 628 H ASN 115 H ASN 115 0.180 15.672 3.960 629 HA ASN 115 HA ASN 115 1.324 17.706 5.601 630 2HB ASN 115 2HB ASN 115 3.250 16.426 3.833 631 1HD2 ASN 115 1HD2 ASN 115 1.714 15.269 6.814 632 2HD2 ASN 115 2HD2 ASN 115 3.022 15.620 7.894 633 H ILE 116 H ILE 116 3.649 18.347 3.994 634 HA ILE 116 HA ILE 116 2.382 19.862 1.820 635 HB ILE 116 HB ILE 116 3.383 21.015 3.926 636 2HG1 ILE 116 2HG1 ILE 116 3.710 22.975 2.676 637 1HG2 ILE 116 1HG2 ILE 116 5.567 19.652 3.568 638 2HG2 ILE 116 2HG2 ILE 116 5.937 20.894 2.347 639 3HG2 ILE 116 3HG2 ILE 116 5.669 21.365 4.043 640 1HD1 ILE 116 1HD1 ILE 116 3.993 22.477 0.014 641 2HD1 ILE 116 2HD1 ILE 116 5.374 22.757 1.099 642 3HD1 ILE 116 3HD1 ILE 116 4.897 21.094 0.676 643 H ALA 117 H ALA 117 5.183 17.888 2.891 644 HA ALA 117 HA ALA 117 6.258 17.929 0.194 645 1HB ALA 117 1HB ALA 117 8.222 17.290 1.173 646 2HB ALA 117 2HB ALA 117 7.442 17.933 2.638 647 3HB ALA 117 3HB ALA 117 7.419 16.184 2.313 648 H GLY 118 H GLY 118 3.670 16.477 1.558 649 1HA GLY 118 1HA GLY 118 2.458 14.664 1.009 650 2HA GLY 118 2HA GLY 118 3.532 14.409 -0.353 651 H ILE 119 H ILE 119 4.393 14.490 3.158 652 HA ILE 119 HA ILE 119 5.132 11.658 2.899 653 HB ILE 119 HB ILE 119 6.690 14.000 3.718 654 2HG1 ILE 119 2HG1 ILE 119 7.205 11.243 2.624 655 1HG2 ILE 119 1HG2 ILE 119 6.271 13.124 5.944 656 2HG2 ILE 119 2HG2 ILE 119 6.767 11.495 5.423 657 3HG2 ILE 119 3HG2 ILE 119 7.958 12.818 5.467 658 1HD1 ILE 119 1HD1 ILE 119 8.621 13.179 1.208 659 2HD1 ILE 119 2HD1 ILE 119 7.039 12.510 0.741 660 3HD1 ILE 119 3HD1 ILE 119 7.125 14.032 1.660 661 HA PRO 120 HA PRO 120 2.457 11.182 6.270 662 2HB PRO 120 2HB PRO 120 1.925 9.037 5.624 663 2HG PRO 120 2HG PRO 120 3.445 8.057 4.193 664 2HD PRO 120 2HD PRO 120 4.398 9.932 3.264 665 H SER 121 H SER 121 2.290 11.039 8.568 666 HA SER 121 HA SER 121 4.527 12.163 9.754 667 2HB SER 121 2HB SER 121 2.118 12.349 10.524 668 HG SER 121 HG SER 121 1.334 10.700 11.930 669 H ALA 122 H ALA 122 3.785 8.895 8.910 670 HA ALA 122 HA ALA 122 4.969 7.490 11.003 671 1HB ALA 122 1HB ALA 122 4.288 5.778 9.714 672 2HB ALA 122 2HB ALA 122 3.777 6.968 8.494 673 3HB ALA 122 3HB ALA 122 5.404 6.250 8.411 674 H PHE 123 H PHE 123 6.319 9.346 8.293 675 HA PHE 123 HA PHE 123 8.977 8.317 8.922 676 2HB PHE 123 2HB PHE 123 9.539 9.424 6.765 677 HD1 PHE 123 1HD PHE 123 7.934 6.819 7.829 678 HD2 PHE 123 2HD PHE 123 7.671 9.392 4.465 679 HE1 PHE 123 1HE PHE 123 6.903 4.963 6.490 680 HE2 PHE 123 2HE PHE 123 6.640 7.537 3.125 681 HZ PHE 123 HZ PHE 123 6.267 5.344 4.154 682 H LEU 124 H LEU 124 6.981 11.307 8.871 683 HA LEU 124 HA LEU 124 8.947 13.167 9.317 684 2HB LEU 124 2HB LEU 124 7.181 14.535 10.295 685 HG LEU 124 HG LEU 124 6.109 12.875 7.995 686 1HD1 LEU 124 1HD1 LEU 124 4.855 14.900 9.575 687 2HD1 LEU 124 2HD1 LEU 124 5.147 15.549 7.943 688 3HD1 LEU 124 3HD1 LEU 124 4.229 14.038 8.150 689 1HD2 LEU 124 1HD2 LEU 124 7.863 15.330 8.090 690 2HD2 LEU 124 2HD2 LEU 124 8.139 13.786 7.246 691 3HD2 LEU 124 3HD2 LEU 124 6.889 14.910 6.660 692 H GLU 125 H GLU 125 6.862 11.725 11.925 693 HA GLU 125 HA GLU 125 8.421 12.637 13.978 694 2HB GLU 125 2HB GLU 125 6.667 10.147 13.834 695 2HG GLU 125 2HG GLU 125 8.253 10.164 15.806 696 H LEU 126 H LEU 126 8.205 9.098 13.223 697 HA LEU 126 HA LEU 126 10.663 8.527 14.402 698 2HB LEU 126 2HB LEU 126 10.403 6.368 13.056 699 HG LEU 126 HG LEU 126 8.846 7.310 15.292 700 1HD1 LEU 126 1HD1 LEU 126 6.955 6.992 13.670 701 2HD1 LEU 126 2HD1 LEU 126 7.390 5.268 13.597 702 3HD1 LEU 126 3HD1 LEU 126 6.868 5.990 15.138 703 1HD2 LEU 126 1HD2 LEU 126 9.079 4.970 16.021 704 2HD2 LEU 126 2HD2 LEU 126 9.705 4.540 14.411 705 3HD2 LEU 126 3HD2 LEU 126 10.619 5.658 15.451 706 H LYS 127 H LYS 127 12.228 7.045 12.718 707 HA LYS 127 HA LYS 127 13.257 9.139 10.964 708 2HB LYS 127 2HB LYS 127 14.686 8.123 12.778 709 2HG LYS 127 2HG LYS 127 15.569 5.847 11.260 710 2HD LYS 127 2HD LYS 127 13.963 5.686 13.829 711 2HE LYS 127 2HE LYS 127 15.498 3.846 12.400 712 1HZ LYS 127 1HZ LYS 127 17.185 3.873 14.551 713 2HZ LYS 127 2HZ LYS 127 17.581 4.156 12.992 714 3HZ LYS 127 3HZ LYS 127 17.213 5.403 13.979 715 H LYS 128 H LYS 128 14.686 7.732 9.095 716 HA LYS 128 HA LYS 128 13.181 5.613 7.966 717 2HB LYS 128 2HB LYS 128 11.729 7.677 7.529 718 2HG LYS 128 2HG LYS 128 13.723 8.166 5.290 719 2HD LYS 128 2HD LYS 128 11.813 10.155 6.545 720 2HE LYS 128 2HE LYS 128 13.303 9.803 3.947 721 1HZ LYS 128 1HZ LYS 128 10.603 10.730 4.217 722 2HZ LYS 128 2HZ LYS 128 11.593 11.745 3.406 723 3HZ LYS 128 3HZ LYS 128 11.400 10.208 2.890 724 H GLU 129 H GLU 129 14.681 4.375 6.978 725 HA GLU 129 HA GLU 129 17.275 5.371 6.644 726 2HB GLU 129 2HB GLU 129 16.365 2.852 5.265 727 2HG GLU 129 2HG GLU 129 18.783 3.866 6.766 728 H GLU 130 H GLU 130 18.528 5.487 4.601 729 HA GLU 130 HA GLU 130 16.780 6.371 2.450 730 2HB GLU 130 2HB GLU 130 19.747 6.973 2.655 731 2HG GLU 130 2HG GLU 130 17.577 7.697 0.881 732 H ILE 131 H ILE 131 16.408 4.130 1.737 733 HA ILE 131 HA ILE 131 18.561 2.458 1.033 734 HB ILE 131 HB ILE 131 15.641 2.491 0.281 735 2HG1 ILE 131 2HG1 ILE 131 15.409 0.733 1.908 736 1HG2 ILE 131 1HG2 ILE 131 16.624 1.340 -1.513 737 2HG2 ILE 131 2HG2 ILE 131 17.819 0.538 -0.464 738 3HG2 ILE 131 3HG2 ILE 131 16.104 0.067 -0.381 739 1HD1 ILE 131 1HD1 ILE 131 17.168 -0.579 2.455 740 2HD1 ILE 131 2HD1 ILE 131 18.272 0.493 1.561 741 3HD1 ILE 131 3HD1 ILE 131 17.918 0.812 3.276 742 H LYS 132 H LYS 132 19.952 2.594 -0.641 743 HA LYS 132 HA LYS 132 19.223 4.421 -2.804 744 2HB LYS 132 2HB LYS 132 21.954 3.290 -2.144 745 2HG LYS 132 2HG LYS 132 21.061 4.615 -4.408 746 2HD LYS 132 2HD LYS 132 20.950 6.611 -2.508 747 2HE LYS 132 2HE LYS 132 23.197 7.843 -3.668 748 1HZ LYS 132 1HZ LYS 132 23.010 8.359 -1.529 749 2HZ LYS 132 2HZ LYS 132 22.383 6.917 -1.090 750 3HZ LYS 132 3HZ LYS 132 23.999 7.090 -1.248 751 H GLN 133 H GLN 133 17.853 3.110 -4.057 752 HA GLN 133 HA GLN 133 18.690 0.480 -4.720 753 2HB GLN 133 2HB GLN 133 16.654 1.143 -6.501 754 2HG GLN 133 2HG GLN 133 15.512 0.448 -3.932 755 1HE2 GLN 133 1HE2 GLN 133 14.806 -1.871 -4.010 756 2HE2 GLN 133 2HE2 GLN 133 14.360 -2.532 -5.548 757 H ARG 134 H ARG 134 19.590 -0.275 -6.670 758 HA ARG 134 HA ARG 134 21.383 1.166 -7.945 759 2HB ARG 134 2HB ARG 134 19.568 -0.952 -9.203 760 2HG ARG 134 2HG ARG 134 22.122 -1.191 -10.306 761 2HD ARG 134 2HD ARG 134 20.841 0.185 -12.267 762 HE ARG 134 HE ARG 134 21.002 -2.551 -11.558 763 1HH1 ARG 134 2HH2 ARG 134 18.812 -0.441 -13.329 764 2HH1 ARG 134 1HH2 ARG 134 18.242 -1.698 -14.375 765 1HH2 ARG 134 2HH1 ARG 134 20.249 -4.210 -12.936 766 2HH2 ARG 134 1HH1 ARG 134 19.065 -3.857 -14.150 Start of MODEL 12 1 1H SER 24 H SER 24 -9.470 -7.329 -14.175 2 HA SER 24 HA SER 24 -8.278 -6.670 -12.487 3 2HB SER 24 2HB SER 24 -8.908 -7.615 -10.137 4 HG SER 24 HG SER 24 -10.780 -6.297 -11.896 5 H HIS 25 H HIS 25 -8.692 -9.802 -10.817 6 HA HIS 25 HA HIS 25 -6.722 -11.289 -11.939 7 2HB HIS 25 2HB HIS 25 -5.209 -10.349 -9.660 8 HD1 HIS 25 1HD HIS 25 -5.306 -10.351 -13.496 9 HD2 HIS 25 2HD HIS 25 -2.648 -11.042 -10.325 10 HE1 HIS 25 1HE HIS 25 -3.133 -11.173 -14.551 11 H MET 26 H MET 26 -8.041 -10.037 -8.830 12 HA MET 26 HA MET 26 -8.356 -12.833 -8.050 13 2HB MET 26 2HB MET 26 -8.317 -11.549 -5.636 14 2HG MET 26 2HG MET 26 -6.791 -13.415 -6.323 15 1HE MET 26 1HE MET 26 -3.713 -10.415 -7.827 16 2HE MET 26 2HE MET 26 -5.361 -9.766 -7.645 17 3HE MET 26 3HE MET 26 -4.528 -10.482 -6.245 18 H GLN 27 H GLN 27 -9.490 -9.499 -7.109 19 HA GLN 27 HA GLN 27 -11.499 -8.660 -6.954 20 2HB GLN 27 2HB GLN 27 -13.316 -9.481 -8.186 21 2HG GLN 27 2HG GLN 27 -11.360 -11.275 -9.580 22 1HE2 GLN 27 1HE2 GLN 27 -12.749 -8.005 -9.847 23 2HE2 GLN 27 2HE2 GLN 27 -13.650 -8.267 -11.303 24 H LEU 28 H LEU 28 -12.286 -8.341 -4.921 25 HA LEU 28 HA LEU 28 -13.662 -10.375 -3.539 26 2HB LEU 28 2HB LEU 28 -11.728 -11.418 -2.907 27 HG LEU 28 HG LEU 28 -9.724 -10.207 -1.951 28 1HD1 LEU 28 1HD1 LEU 28 -8.627 -10.315 -3.947 29 2HD1 LEU 28 2HD1 LEU 28 -10.117 -11.184 -4.383 30 3HD1 LEU 28 3HD1 LEU 28 -9.918 -9.475 -4.838 31 1HD2 LEU 28 1HD2 LEU 28 -9.349 -7.883 -2.778 32 2HD2 LEU 28 2HD2 LEU 28 -11.056 -7.835 -3.283 33 3HD2 LEU 28 3HD2 LEU 28 -10.641 -8.024 -1.562 34 H LYS 29 H LYS 29 -13.652 -9.424 -0.963 35 HA LYS 29 HA LYS 29 -14.886 -6.853 -1.368 36 2HB LYS 29 2HB LYS 29 -14.597 -8.451 1.191 37 2HG LYS 29 2HG LYS 29 -16.377 -6.174 0.239 38 2HD LYS 29 2HD LYS 29 -17.563 -6.576 2.499 39 2HE LYS 29 2HE LYS 29 -17.878 -8.573 0.209 40 1HZ LYS 29 1HZ LYS 29 -19.377 -9.526 1.483 41 2HZ LYS 29 2HZ LYS 29 -19.115 -8.484 2.713 42 3HZ LYS 29 3HZ LYS 29 -20.221 -8.130 1.565 43 H PHE 30 H PHE 30 -14.293 -4.896 -0.275 44 HA PHE 30 HA PHE 30 -11.424 -4.793 0.210 45 2HB PHE 30 2HB PHE 30 -11.679 -2.552 -0.501 46 HD1 PHE 30 1HD PHE 30 -14.699 -1.600 -1.312 47 HD2 PHE 30 2HD PHE 30 -12.133 -4.840 -2.276 48 HE1 PHE 30 1HE PHE 30 -15.871 -1.873 -3.515 49 HE2 PHE 30 2HE PHE 30 -13.305 -5.112 -4.480 50 HZ PHE 30 HZ PHE 30 -15.160 -3.625 -5.072 51 H ALA 31 H ALA 31 -11.473 -2.358 1.778 52 HA ALA 31 HA ALA 31 -12.395 -3.507 4.316 53 1HB ALA 31 1HB ALA 31 -9.886 -2.656 3.542 54 2HB ALA 31 2HB ALA 31 -10.528 -1.220 4.376 55 3HB ALA 31 3HB ALA 31 -10.450 -2.782 5.226 56 H GLU 32 H GLU 32 -12.150 -0.982 5.753 57 HA GLU 32 HA GLU 32 -14.483 0.337 4.606 58 2HB GLU 32 2HB GLU 32 -14.698 -0.852 6.872 59 2HG GLU 32 2HG GLU 32 -12.377 0.598 7.470 60 H CYS 33 H CYS 33 -11.135 0.631 5.445 61 HA CYS 33 HA CYS 33 -11.282 3.508 5.710 62 2HB CYS 33 2HB CYS 33 -8.580 2.573 5.560 63 HG CYS 33 HG CYS 33 -8.903 2.935 8.425 64 H LEU 34 H LEU 34 -10.905 1.004 3.321 65 HA LEU 34 HA LEU 34 -9.224 2.342 1.514 66 2HB LEU 34 2HB LEU 34 -9.934 0.694 -0.070 67 HG LEU 34 HG LEU 34 -10.221 -1.009 2.346 68 1HD1 LEU 34 1HD1 LEU 34 -9.610 -2.487 0.808 69 2HD1 LEU 34 2HD1 LEU 34 -9.221 -1.199 -0.358 70 3HD1 LEU 34 3HD1 LEU 34 -7.993 -1.742 0.810 71 1HD2 LEU 34 1HD2 LEU 34 -7.662 -0.721 2.688 72 2HD2 LEU 34 2HD2 LEU 34 -7.915 0.876 1.943 73 3HD2 LEU 34 3HD2 LEU 34 -8.783 0.441 3.436 74 H GLU 35 H GLU 35 -12.361 3.075 2.646 75 HA GLU 35 HA GLU 35 -13.315 4.140 0.185 76 2HB GLU 35 2HB GLU 35 -15.282 4.709 1.393 77 2HG GLU 35 2HG GLU 35 -14.261 2.471 3.163 78 H LYS 36 H LYS 36 -10.771 5.062 1.997 79 HA LYS 36 HA LYS 36 -11.425 7.914 1.955 80 2HB LYS 36 2HB LYS 36 -9.153 7.969 3.241 81 2HG LYS 36 2HG LYS 36 -11.195 6.544 4.889 82 2HD LYS 36 2HD LYS 36 -10.909 9.246 5.661 83 2HE LYS 36 2HE LYS 36 -9.197 6.907 6.615 84 1HZ LYS 36 1HZ LYS 36 -8.774 8.244 8.299 85 2HZ LYS 36 2HZ LYS 36 -9.418 9.482 7.449 86 3HZ LYS 36 3HZ LYS 36 -10.341 8.651 8.510 87 H LYS 37 H LYS 37 -11.286 8.311 -0.292 88 HA LYS 37 HA LYS 37 -9.406 7.378 -2.017 89 2HB LYS 37 2HB LYS 37 -9.786 9.670 -3.174 90 2HG LYS 37 2HG LYS 37 -11.121 7.345 -3.319 91 2HD LYS 37 2HD LYS 37 -12.703 8.950 -1.468 92 2HE LYS 37 2HE LYS 37 -13.682 8.871 -4.218 93 1HZ LYS 37 1HZ LYS 37 -15.561 7.688 -3.984 94 2HZ LYS 37 2HZ LYS 37 -14.649 6.801 -2.959 95 3HZ LYS 37 3HZ LYS 37 -15.685 7.919 -2.372 96 H VAL 38 H VAL 38 -7.648 8.941 -3.101 97 HA VAL 38 HA VAL 38 -6.148 10.315 -1.016 98 HB VAL 38 HB VAL 38 -4.127 9.109 -1.490 99 1HG1 VAL 38 1HG1 VAL 38 -4.581 7.155 -0.301 100 2HG1 VAL 38 2HG1 VAL 38 -5.952 8.204 0.130 101 3HG1 VAL 38 3HG1 VAL 38 -6.160 6.921 -1.086 102 1HG2 VAL 38 1HG2 VAL 38 -5.790 7.716 -3.590 103 2HG2 VAL 38 2HG2 VAL 38 -4.215 8.529 -3.761 104 3HG2 VAL 38 3HG2 VAL 38 -4.323 6.965 -2.918 105 H ASP 39 H ASP 39 -3.780 10.566 -2.722 106 HA ASP 39 HA ASP 39 -4.506 11.446 -5.252 107 2HB ASP 39 2HB ASP 39 -3.728 13.856 -3.671 108 H MET 40 H MET 40 -2.518 10.453 -5.876 109 HA MET 40 HA MET 40 -0.173 10.673 -4.431 110 2HB MET 40 2HB MET 40 0.873 9.815 -6.562 111 2HG MET 40 2HG MET 40 -0.823 7.895 -6.974 112 1HE MET 40 1HE MET 40 -1.507 9.070 -3.667 113 2HE MET 40 2HE MET 40 -0.786 7.834 -2.608 114 3HE MET 40 3HE MET 40 0.113 9.325 -2.977 115 H SER 41 H SER 41 -1.751 12.890 -6.656 116 HA SER 41 HA SER 41 0.588 14.270 -7.398 117 2HB SER 41 2HB SER 41 -2.125 15.587 -7.383 118 HG SER 41 HG SER 41 -0.293 15.297 -9.580 119 H LYS 42 H LYS 42 -1.023 13.965 -4.444 120 HA LYS 42 HA LYS 42 -0.107 16.625 -3.594 121 2HB LYS 42 2HB LYS 42 -1.905 16.800 -2.111 122 2HG LYS 42 2HG LYS 42 -3.960 16.112 -3.484 123 2HD LYS 42 2HD LYS 42 -2.592 17.386 -5.627 124 2HE LYS 42 2HE LYS 42 -3.555 19.491 -4.256 125 1HZ LYS 42 1HZ LYS 42 -5.288 17.381 -5.343 126 2HZ LYS 42 2HZ LYS 42 -5.670 18.963 -5.192 127 3HZ LYS 42 3HZ LYS 42 -4.511 18.500 -6.245 128 H VAL 43 H VAL 43 -0.303 13.110 -2.930 129 HA VAL 43 HA VAL 43 1.655 13.518 -0.780 130 HB VAL 43 HB VAL 43 0.118 12.356 0.343 131 1HG1 VAL 43 1HG1 VAL 43 -1.567 12.662 -1.437 132 2HG1 VAL 43 2HG1 VAL 43 -0.966 11.195 -2.247 133 3HG1 VAL 43 3HG1 VAL 43 -1.718 11.079 -0.638 134 1HG2 VAL 43 1HG2 VAL 43 1.955 10.724 0.045 135 2HG2 VAL 43 2HG2 VAL 43 0.375 9.933 0.259 136 3HG2 VAL 43 3HG2 VAL 43 1.104 10.042 -1.361 137 H ASN 44 H ASN 44 3.513 12.092 -0.703 138 HA ASN 44 HA ASN 44 4.333 11.405 -3.372 139 2HB ASN 44 2HB ASN 44 6.468 10.743 -1.755 140 1HD2 ASN 44 1HD2 ASN 44 8.161 12.380 -1.727 141 2HD2 ASN 44 2HD2 ASN 44 8.140 13.661 -2.893 142 H LEU 45 H LEU 45 4.296 9.266 -4.100 143 HA LEU 45 HA LEU 45 3.583 7.220 -2.171 144 2HB LEU 45 2HB LEU 45 2.734 7.767 -4.697 145 HG LEU 45 HG LEU 45 3.319 5.985 -6.170 146 1HD1 LEU 45 1HD1 LEU 45 5.069 7.068 -7.018 147 2HD1 LEU 45 2HD1 LEU 45 5.044 8.070 -5.547 148 3HD1 LEU 45 3HD1 LEU 45 6.104 6.642 -5.633 149 1HD2 LEU 45 1HD2 LEU 45 3.991 4.546 -3.960 150 2HD2 LEU 45 2HD2 LEU 45 4.382 4.081 -5.633 151 3HD2 LEU 45 3HD2 LEU 45 5.597 4.913 -4.635 152 H GLU 46 H GLU 46 6.351 8.476 -3.910 153 HA GLU 46 HA GLU 46 7.850 6.169 -4.084 154 2HB GLU 46 2HB GLU 46 9.613 8.356 -3.539 155 2HG GLU 46 2HG GLU 46 8.760 7.931 -6.352 156 H VAL 47 H VAL 47 7.320 8.477 -1.386 157 HA VAL 47 HA VAL 47 9.337 7.379 0.270 158 HB VAL 47 HB VAL 47 8.109 8.662 2.039 159 1HG1 VAL 47 1HG1 VAL 47 8.514 10.464 -0.334 160 2HG1 VAL 47 2HG1 VAL 47 9.008 10.687 1.361 161 3HG1 VAL 47 3HG1 VAL 47 9.887 9.541 0.322 162 1HG2 VAL 47 1HG2 VAL 47 5.972 8.494 0.214 163 2HG2 VAL 47 2HG2 VAL 47 6.021 9.395 1.748 164 3HG2 VAL 47 3HG2 VAL 47 6.461 10.205 0.226 165 H ILE 48 H ILE 48 6.449 6.087 -0.911 166 HA ILE 48 HA ILE 48 6.132 4.428 1.491 167 HB ILE 48 HB ILE 48 4.022 4.434 -0.572 168 2HG1 ILE 48 2HG1 ILE 48 3.090 6.548 -0.049 169 1HG2 ILE 48 1HG2 ILE 48 4.147 3.282 1.777 170 2HG2 ILE 48 2HG2 ILE 48 3.637 4.882 2.368 171 3HG2 ILE 48 3HG2 ILE 48 2.623 3.999 1.203 172 1HD1 ILE 48 1HD1 ILE 48 5.226 6.620 2.108 173 2HD1 ILE 48 2HD1 ILE 48 4.489 8.119 1.495 174 3HD1 ILE 48 3HD1 ILE 48 3.473 6.880 2.271 175 H LYS 49 H LYS 49 7.855 4.468 -1.254 176 HA LYS 49 HA LYS 49 7.077 2.033 -2.480 177 2HB LYS 49 2HB LYS 49 9.370 2.281 -3.568 178 2HG LYS 49 2HG LYS 49 8.642 4.503 -4.709 179 2HD LYS 49 2HD LYS 49 6.219 3.097 -5.112 180 2HE LYS 49 2HE LYS 49 7.321 2.282 -7.157 181 1HZ LYS 49 1HZ LYS 49 8.741 4.662 -7.178 182 2HZ LYS 49 2HZ LYS 49 7.283 4.355 -7.846 183 3HZ LYS 49 3HZ LYS 49 7.378 4.920 -6.318 184 HA PRO 50 HA PRO 50 10.547 0.368 0.279 185 2HB PRO 50 2HB PRO 50 12.243 1.821 0.838 186 2HG PRO 50 2HG PRO 50 11.697 4.054 0.657 187 2HD PRO 50 2HD PRO 50 9.991 3.934 -0.879 188 H TRP 51 H TRP 51 8.038 2.261 1.718 189 HA TRP 51 HA TRP 51 7.818 0.645 4.038 190 2HB TRP 51 2HB TRP 51 5.793 2.490 2.761 191 HD1 TRP 51 HD TRP 51 6.556 2.677 6.465 192 HE1 TRP 51 1HE TRP 51 4.539 1.839 7.944 193 HE3 TRP 51 3HE TRP 51 3.882 0.688 2.624 194 HZ2 TRP 51 2HZ TRP 51 2.106 0.467 7.356 195 HZ3 TRP 51 3HZ TRP 51 1.696 -0.382 3.164 196 HH2 TRP 51 HH TRP 51 0.800 -0.511 5.434 197 H ILE 52 H ILE 52 6.134 0.836 0.832 198 HA ILE 52 HA ILE 52 4.344 -1.256 1.370 199 HB ILE 52 HB ILE 52 5.222 0.332 -0.958 200 2HG1 ILE 52 2HG1 ILE 52 2.932 0.053 0.724 201 1HG2 ILE 52 1HG2 ILE 52 5.496 -1.958 -1.820 202 2HG2 ILE 52 2HG2 ILE 52 3.819 -2.325 -1.351 203 3HG2 ILE 52 3HG2 ILE 52 4.146 -1.098 -2.598 204 1HD1 ILE 52 1HD1 ILE 52 2.217 1.960 -1.030 205 2HD1 ILE 52 2HD1 ILE 52 3.470 2.249 0.199 206 3HD1 ILE 52 3HD1 ILE 52 3.938 1.845 -1.470 207 H THR 53 H THR 53 7.521 -1.162 -0.378 208 HA THR 53 HA THR 53 7.587 -3.895 -0.963 209 HB THR 53 HB THR 53 9.728 -1.741 -0.591 210 HG1 THR 53 1HG THR 53 9.560 -2.189 -3.041 211 1HG2 THR 53 1HG2 THR 53 9.917 -4.594 -1.680 212 2HG2 THR 53 2HG2 THR 53 11.082 -3.317 -2.103 213 3HG2 THR 53 3HG2 THR 53 10.927 -3.857 -0.415 214 H LYS 54 H LYS 54 8.576 -2.063 1.956 215 HA LYS 54 HA LYS 54 9.816 -4.318 3.154 216 2HB LYS 54 2HB LYS 54 8.854 -1.687 4.313 217 2HG LYS 54 2HG LYS 54 11.002 -3.431 5.520 218 2HD LYS 54 2HD LYS 54 9.224 -1.157 6.318 219 2HE LYS 54 2HE LYS 54 8.597 -3.139 7.839 220 1HZ LYS 54 1HZ LYS 54 10.861 -2.861 9.439 221 2HZ LYS 54 2HZ LYS 54 10.239 -4.224 8.788 222 3HZ LYS 54 3HZ LYS 54 11.338 -3.349 7.956 223 H ARG 55 H ARG 55 6.531 -2.902 3.110 224 HA ARG 55 HA ARG 55 5.609 -4.503 5.220 225 2HB ARG 55 2HB ARG 55 3.338 -3.852 3.758 226 2HG ARG 55 2HG ARG 55 3.377 -1.687 5.145 227 2HD ARG 55 2HD ARG 55 3.159 -4.421 5.971 228 HE ARG 55 HE ARG 55 4.813 -4.459 7.630 229 1HH1 ARG 55 2HH2 ARG 55 3.234 -1.314 7.645 230 2HH1 ARG 55 1HH2 ARG 55 4.029 -0.780 9.088 231 1HH2 ARG 55 2HH1 ARG 55 5.861 -3.754 9.534 232 2HH2 ARG 55 1HH1 ARG 55 5.533 -2.177 10.170 233 H VAL 56 H VAL 56 5.320 -4.654 1.603 234 HA VAL 56 HA VAL 56 3.810 -7.014 1.551 235 HB VAL 56 HB VAL 56 4.492 -7.089 -0.808 236 1HG1 VAL 56 1HG1 VAL 56 3.966 -4.310 -0.913 237 2HG1 VAL 56 2HG1 VAL 56 2.805 -5.652 -1.048 238 3HG1 VAL 56 3HG1 VAL 56 3.146 -4.929 0.541 239 1HG2 VAL 56 1HG2 VAL 56 6.578 -5.198 0.161 240 2HG2 VAL 56 2HG2 VAL 56 6.649 -6.429 -1.122 241 3HG2 VAL 56 3HG2 VAL 56 5.864 -4.862 -1.435 242 H THR 57 H THR 57 7.353 -6.351 1.511 243 HA THR 57 HA THR 57 8.100 -9.044 1.088 244 HB THR 57 HB THR 57 9.549 -6.624 2.287 245 HG1 THR 57 1HG THR 57 9.999 -6.299 0.091 246 1HG2 THR 57 1HG2 THR 57 11.224 -8.481 0.822 247 2HG2 THR 57 2HG2 THR 57 11.393 -7.951 2.512 248 3HG2 THR 57 3HG2 THR 57 10.396 -9.373 2.121 249 H GLU 58 H GLU 58 7.474 -7.085 4.032 250 HA GLU 58 HA GLU 58 8.383 -9.143 5.735 251 2HB GLU 58 2HB GLU 58 6.948 -7.651 7.426 252 2HG GLU 58 2HG GLU 58 9.178 -6.056 6.256 253 H ILE 59 H ILE 59 5.331 -8.319 4.140 254 HA ILE 59 HA ILE 59 3.562 -9.657 5.806 255 HB ILE 59 HB ILE 59 3.601 -8.841 2.936 256 2HG1 ILE 59 2HG1 ILE 59 3.046 -7.410 5.073 257 1HG2 ILE 59 1HG2 ILE 59 1.670 -10.785 4.179 258 2HG2 ILE 59 2HG2 ILE 59 1.158 -9.677 2.883 259 3HG2 ILE 59 3HG2 ILE 59 2.471 -10.842 2.591 260 1HD1 ILE 59 1HD1 ILE 59 2.626 -6.096 3.260 261 2HD1 ILE 59 2HD1 ILE 59 1.981 -7.460 2.317 262 3HD1 ILE 59 3HD1 ILE 59 0.930 -6.594 3.464 263 H LEU 60 H LEU 60 5.512 -10.835 2.995 264 HA LEU 60 HA LEU 60 4.697 -13.551 3.708 265 2HB LEU 60 2HB LEU 60 4.559 -13.881 1.542 266 HG LEU 60 HG LEU 60 4.379 -11.218 1.497 267 1HD1 LEU 60 1HD1 LEU 60 5.982 -10.254 -0.099 268 2HD1 LEU 60 2HD1 LEU 60 6.771 -10.800 1.401 269 3HD1 LEU 60 3HD1 LEU 60 6.905 -11.776 -0.081 270 1HD2 LEU 60 1HD2 LEU 60 3.501 -13.109 -0.088 271 2HD2 LEU 60 2HD2 LEU 60 3.533 -11.416 -0.635 272 3HD2 LEU 60 3HD2 LEU 60 4.806 -12.544 -1.157 273 H GLY 61 H GLY 61 7.588 -11.473 3.074 274 1HA GLY 61 1HA GLY 61 9.309 -11.789 4.857 275 2HA GLY 61 2HA GLY 61 9.208 -13.500 4.495 276 H PHE 62 H PHE 62 8.618 -12.338 1.522 277 HA PHE 62 HA PHE 62 11.451 -11.897 0.901 278 2HB PHE 62 2HB PHE 62 10.978 -14.152 0.192 279 HD1 PHE 62 1HD PHE 62 8.429 -12.698 -2.037 280 HD2 PHE 62 2HD PHE 62 9.161 -15.293 1.240 281 HE1 PHE 62 1HE PHE 62 6.096 -13.605 -2.232 282 HE2 PHE 62 2HE PHE 62 6.829 -16.199 1.045 283 HZ PHE 62 HZ PHE 62 5.324 -15.344 -0.690 284 H GLU 63 H GLU 63 11.854 -10.652 -1.073 285 HA GLU 63 HA GLU 63 9.958 -8.576 -1.328 286 2HB GLU 63 2HB GLU 63 12.395 -9.074 -3.086 287 2HG GLU 63 2HG GLU 63 11.359 -6.408 -2.089 288 H ASP 64 H ASP 64 8.099 -8.770 -2.498 289 HA ASP 64 HA ASP 64 7.839 -10.784 -4.437 290 2HB ASP 64 2HB ASP 64 5.586 -9.980 -4.688 291 H ASP 65 H ASP 65 6.138 -8.997 -6.262 292 HA ASP 65 HA ASP 65 7.873 -7.050 -7.317 293 2HB ASP 65 2HB ASP 65 7.518 -8.766 -9.580 294 H VAL 66 H VAL 66 5.350 -9.524 -8.222 295 HA VAL 66 HA VAL 66 3.948 -7.838 -9.967 296 HB VAL 66 HB VAL 66 3.958 -10.451 -9.476 297 1HG1 VAL 66 1HG1 VAL 66 2.913 -10.306 -7.277 298 2HG1 VAL 66 2HG1 VAL 66 1.515 -9.452 -7.974 299 3HG1 VAL 66 3HG1 VAL 66 1.834 -11.147 -8.417 300 1HG2 VAL 66 1HG2 VAL 66 1.375 -10.116 -10.472 301 2HG2 VAL 66 2HG2 VAL 66 2.215 -8.612 -10.922 302 3HG2 VAL 66 3HG2 VAL 66 2.881 -10.186 -11.420 303 H VAL 67 H VAL 67 3.653 -8.544 -6.445 304 HA VAL 67 HA VAL 67 1.306 -6.984 -6.139 305 HB VAL 67 HB VAL 67 1.360 -7.695 -4.004 306 1HG1 VAL 67 1HG1 VAL 67 3.583 -9.559 -4.825 307 2HG1 VAL 67 2HG1 VAL 67 2.121 -9.896 -3.867 308 3HG1 VAL 67 3HG1 VAL 67 1.994 -9.630 -5.623 309 1HG2 VAL 67 1HG2 VAL 67 3.152 -6.276 -3.237 310 2HG2 VAL 67 2HG2 VAL 67 3.439 -7.923 -2.626 311 3HG2 VAL 67 3HG2 VAL 67 4.371 -7.314 -4.015 312 H ILE 68 H ILE 68 4.843 -6.413 -5.715 313 HA ILE 68 HA ILE 68 4.583 -3.851 -4.626 314 HB ILE 68 HB ILE 68 6.811 -5.163 -6.182 315 2HG1 ILE 68 2HG1 ILE 68 5.921 -6.088 -3.903 316 1HG2 ILE 68 1HG2 ILE 68 6.536 -2.439 -5.645 317 2HG2 ILE 68 2HG2 ILE 68 7.620 -3.046 -4.370 318 3HG2 ILE 68 3HG2 ILE 68 8.028 -3.305 -6.084 319 1HD1 ILE 68 1HD1 ILE 68 8.310 -6.275 -5.219 320 2HD1 ILE 68 2HD1 ILE 68 8.845 -5.521 -3.699 321 3HD1 ILE 68 3HD1 ILE 68 7.983 -7.077 -3.664 322 H GLU 69 H GLU 69 4.922 -5.028 -8.027 323 HA GLU 69 HA GLU 69 5.053 -2.504 -9.152 324 2HB GLU 69 2HB GLU 69 3.807 -4.148 -11.061 325 2HG GLU 69 2HG GLU 69 6.728 -4.536 -10.792 326 H PHE 70 H PHE 70 2.276 -4.626 -8.291 327 HA PHE 70 HA PHE 70 0.281 -3.220 -9.578 328 2HB PHE 70 2HB PHE 70 -0.870 -4.146 -7.227 329 HD1 PHE 70 1HD PHE 70 -1.699 -4.130 -9.966 330 HD2 PHE 70 2HD PHE 70 0.272 -7.218 -7.823 331 HE1 PHE 70 1HE PHE 70 -2.668 -5.835 -11.533 332 HE2 PHE 70 2HE PHE 70 -0.697 -8.922 -9.391 333 HZ PHE 70 HZ PHE 70 -2.154 -8.210 -11.226 334 H ILE 71 H ILE 71 1.718 -2.753 -6.291 335 HA ILE 71 HA ILE 71 -0.068 -0.650 -5.630 336 HB ILE 71 HB ILE 71 2.562 -1.537 -4.442 337 2HG1 ILE 71 2HG1 ILE 71 0.021 -2.756 -4.436 338 1HG2 ILE 71 1HG2 ILE 71 1.056 0.857 -3.973 339 2HG2 ILE 71 2HG2 ILE 71 0.967 -0.186 -2.533 340 3HG2 ILE 71 3HG2 ILE 71 2.551 0.291 -3.190 341 1HD1 ILE 71 1HD1 ILE 71 1.839 -3.457 -2.211 342 2HD1 ILE 71 2HD1 ILE 71 1.254 -4.461 -3.561 343 3HD1 ILE 71 3HD1 ILE 71 2.651 -3.381 -3.794 344 H PHE 72 H PHE 72 3.330 -0.833 -6.853 345 HA PHE 72 HA PHE 72 3.774 1.920 -6.826 346 2HB PHE 72 2HB PHE 72 5.522 1.173 -8.611 347 HD1 PHE 72 1HD PHE 72 4.405 0.507 -5.324 348 HD2 PHE 72 2HD PHE 72 7.566 -0.334 -8.028 349 HE1 PHE 72 1HE PHE 72 5.899 -0.085 -3.395 350 HE2 PHE 72 2HE PHE 72 9.059 -0.926 -6.100 351 HZ PHE 72 HZ PHE 72 8.208 -0.794 -3.806 352 H ASN 73 H ASN 73 2.641 -0.298 -9.466 353 HA ASN 73 HA ASN 73 2.522 1.635 -11.415 354 2HB ASN 73 2HB ASN 73 0.572 -0.011 -12.267 355 1HD2 ASN 73 1HD2 ASN 73 3.521 -1.332 -10.795 356 2HD2 ASN 73 2HD2 ASN 73 4.394 -1.626 -12.262 357 H GLN 74 H GLN 74 0.166 0.529 -8.913 358 HA GLN 74 HA GLN 74 -1.951 2.094 -9.918 359 2HB GLN 74 2HB GLN 74 -2.797 1.607 -7.435 360 2HG GLN 74 2HG GLN 74 -3.979 0.336 -8.954 361 1HE2 GLN 74 1HE2 GLN 74 -1.387 -1.870 -9.481 362 2HE2 GLN 74 2HE2 GLN 74 -1.102 -1.555 -11.160 363 H LEU 75 H LEU 75 0.626 2.531 -7.461 364 HA LEU 75 HA LEU 75 -0.487 5.013 -6.545 365 2HB LEU 75 2HB LEU 75 1.745 5.106 -5.326 366 HG LEU 75 HG LEU 75 0.217 2.547 -4.803 367 1HD1 LEU 75 1HD1 LEU 75 2.109 2.539 -3.445 368 2HD1 LEU 75 2HD1 LEU 75 2.046 4.297 -3.173 369 3HD1 LEU 75 3HD1 LEU 75 0.848 3.234 -2.398 370 1HD2 LEU 75 1HD2 LEU 75 -1.177 3.937 -3.247 371 2HD2 LEU 75 2HD2 LEU 75 -0.491 5.384 -4.023 372 3HD2 LEU 75 3HD2 LEU 75 -1.457 4.236 -4.979 373 H GLU 76 H GLU 76 0.928 4.089 -9.409 374 HA GLU 76 HA GLU 76 2.650 6.364 -9.657 375 2HB GLU 76 2HB GLU 76 2.566 5.368 -12.170 376 2HG GLU 76 2HG GLU 76 4.072 3.447 -10.630 377 H VAL 77 H VAL 77 -0.676 5.840 -9.779 378 HA VAL 77 HA VAL 77 -1.098 7.780 -11.923 379 HB VAL 77 HB VAL 77 -3.334 7.037 -11.965 380 1HG1 VAL 77 1HG1 VAL 77 -2.541 5.299 -13.130 381 2HG1 VAL 77 2HG1 VAL 77 -1.160 5.096 -12.026 382 3HG1 VAL 77 3HG1 VAL 77 -2.723 4.334 -11.647 383 1HG2 VAL 77 1HG2 VAL 77 -4.482 6.397 -10.161 384 2HG2 VAL 77 2HG2 VAL 77 -3.389 5.018 -9.895 385 3HG2 VAL 77 3HG2 VAL 77 -3.000 6.610 -9.198 386 H LYS 78 H LYS 78 -3.429 9.020 -11.127 387 HA LYS 78 HA LYS 78 -2.464 10.531 -8.811 388 2HB LYS 78 2HB LYS 78 -3.871 12.354 -9.678 389 2HG LYS 78 2HG LYS 78 -1.434 11.628 -10.602 390 2HD LYS 78 2HD LYS 78 -3.017 11.854 -13.180 391 2HE LYS 78 2HE LYS 78 -0.535 10.237 -13.007 392 1HZ LYS 78 1HZ LYS 78 -1.937 11.724 -14.847 393 2HZ LYS 78 2HZ LYS 78 -0.482 12.452 -14.699 394 3HZ LYS 78 3HZ LYS 78 -0.568 10.870 -15.098 395 H ASN 79 H ASN 79 -4.868 8.277 -9.914 396 HA ASN 79 HA ASN 79 -6.225 8.663 -7.378 397 2HB ASN 79 2HB ASN 79 -8.180 7.743 -9.265 398 1HD2 ASN 79 1HD2 ASN 79 -6.683 10.689 -7.949 399 2HD2 ASN 79 2HD2 ASN 79 -8.091 11.323 -7.164 400 HA PRO 80 HA PRO 80 -5.131 4.324 -8.117 401 2HB PRO 80 2HB PRO 80 -3.192 4.310 -6.876 402 2HG PRO 80 2HG PRO 80 -2.858 6.194 -5.589 403 2HD PRO 80 2HD PRO 80 -4.125 7.716 -6.757 404 H ASP 81 H ASP 81 -6.202 2.375 -7.746 405 HA ASP 81 HA ASP 81 -8.665 2.885 -6.314 406 2HB ASP 81 2HB ASP 81 -7.779 0.739 -8.287 407 H SER 82 H SER 82 -7.781 2.607 -4.124 408 HA SER 82 HA SER 82 -6.094 0.801 -3.201 409 2HB SER 82 2HB SER 82 -8.557 2.067 -2.072 410 HG SER 82 HG SER 82 -7.336 -0.285 -1.014 411 H LYS 83 H LYS 83 -9.422 0.190 -4.319 412 HA LYS 83 HA LYS 83 -9.794 -2.324 -3.188 413 2HB LYS 83 2HB LYS 83 -11.392 -2.596 -5.175 414 2HG LYS 83 2HG LYS 83 -11.466 -0.872 -2.848 415 2HD LYS 83 2HD LYS 83 -13.294 0.071 -5.088 416 2HE LYS 83 2HE LYS 83 -12.568 1.931 -2.932 417 1HZ LYS 83 1HZ LYS 83 -15.156 1.500 -2.788 418 2HZ LYS 83 2HZ LYS 83 -14.487 2.486 -3.905 419 3HZ LYS 83 3HZ LYS 83 -14.898 0.958 -4.308 420 H MET 84 H MET 84 -8.402 -1.351 -6.392 421 HA MET 84 HA MET 84 -7.870 -3.992 -7.140 422 2HB MET 84 2HB MET 84 -6.035 -2.320 -8.497 423 2HG MET 84 2HG MET 84 -8.245 -2.059 -10.060 424 1HE MET 84 1HE MET 84 -6.516 -6.290 -9.625 425 2HE MET 84 2HE MET 84 -6.454 -5.155 -8.256 426 3HE MET 84 3HE MET 84 -8.025 -5.660 -8.922 427 H MET 85 H MET 85 -6.119 -1.580 -5.207 428 HA MET 85 HA MET 85 -3.589 -2.690 -5.442 429 2HB MET 85 2HB MET 85 -4.452 -1.452 -2.830 430 2HG MET 85 2HG MET 85 -2.200 -1.037 -4.839 431 1HE MET 85 1HE MET 85 -3.127 0.948 -5.506 432 2HE MET 85 2HE MET 85 -3.869 2.172 -4.446 433 3HE MET 85 3HE MET 85 -2.179 2.359 -4.977 434 H GLN 86 H GLN 86 -6.125 -3.112 -2.872 435 HA GLN 86 HA GLN 86 -4.597 -5.055 -1.529 436 2HB GLN 86 2HB GLN 86 -7.099 -3.635 -1.150 437 2HG GLN 86 2HG GLN 86 -7.114 -6.617 -0.482 438 1HE2 GLN 86 1HE2 GLN 86 -9.688 -6.984 -0.145 439 2HE2 GLN 86 2HE2 GLN 86 -10.346 -6.063 1.167 440 H ILE 87 H ILE 87 -7.062 -5.090 -4.102 441 HA ILE 87 HA ILE 87 -7.731 -7.804 -3.922 442 HB ILE 87 HB ILE 87 -7.987 -5.633 -5.941 443 2HG1 ILE 87 2HG1 ILE 87 -9.563 -6.262 -3.939 444 1HG2 ILE 87 1HG2 ILE 87 -7.563 -7.119 -7.597 445 2HG2 ILE 87 2HG2 ILE 87 -7.926 -8.534 -6.581 446 3HG2 ILE 87 3HG2 ILE 87 -9.254 -7.577 -7.281 447 1HD1 ILE 87 1HD1 ILE 87 -9.895 -4.710 -6.091 448 2HD1 ILE 87 2HD1 ILE 87 -11.015 -6.009 -6.569 449 3HD1 ILE 87 3HD1 ILE 87 -11.273 -5.127 -5.044 450 H ASN 88 H ASN 88 -5.084 -6.024 -5.568 451 HA ASN 88 HA ASN 88 -4.208 -8.265 -7.004 452 2HB ASN 88 2HB ASN 88 -1.983 -6.774 -6.982 453 1HD2 ASN 88 1HD2 ASN 88 -3.496 -4.141 -7.753 454 2HD2 ASN 88 2HD2 ASN 88 -4.075 -4.453 -9.355 455 H LEU 89 H LEU 89 -3.471 -6.763 -3.816 456 HA LEU 89 HA LEU 89 -1.179 -8.276 -3.247 457 2HB LEU 89 2HB LEU 89 -1.803 -7.628 -0.855 458 HG LEU 89 HG LEU 89 -1.727 -5.268 -2.743 459 1HD1 LEU 89 1HD1 LEU 89 -1.930 -4.301 -0.700 460 2HD1 LEU 89 2HD1 LEU 89 -1.240 -5.698 0.161 461 3HD1 LEU 89 3HD1 LEU 89 -0.169 -4.561 -0.690 462 1HD2 LEU 89 1HD2 LEU 89 0.293 -7.358 -2.293 463 2HD2 LEU 89 2HD2 LEU 89 0.134 -6.167 -3.606 464 3HD2 LEU 89 3HD2 LEU 89 0.887 -5.695 -2.063 465 H THR 90 H THR 90 -4.695 -8.805 -2.695 466 HA THR 90 HA THR 90 -4.449 -11.071 -1.082 467 HB THR 90 HB THR 90 -6.648 -10.453 -3.118 468 HG1 THR 90 1HG THR 90 -6.478 -8.546 -1.942 469 1HG2 THR 90 1HG2 THR 90 -7.818 -12.023 -1.945 470 2HG2 THR 90 2HG2 THR 90 -6.375 -12.355 -0.957 471 3HG2 THR 90 3HG2 THR 90 -7.534 -11.103 -0.448 472 H GLY 91 H GLY 91 -3.774 -10.604 -4.475 473 1HA GLY 91 1HA GLY 91 -4.174 -13.324 -5.265 474 2HA GLY 91 2HA GLY 91 -3.342 -12.061 -6.151 475 H PHE 92 H PHE 92 -1.793 -11.693 -3.347 476 HA PHE 92 HA PHE 92 0.063 -13.912 -3.840 477 2HB PHE 92 2HB PHE 92 1.383 -11.605 -2.713 478 HD1 PHE 92 1HD PHE 92 0.428 -12.878 -6.098 479 HD2 PHE 92 2HD PHE 92 3.550 -11.704 -3.474 480 HE1 PHE 92 1HE PHE 92 2.126 -13.509 -7.836 481 HE2 PHE 92 2HE PHE 92 5.248 -12.334 -5.212 482 HZ PHE 92 HZ PHE 92 4.516 -13.229 -7.372 483 H LEU 93 H LEU 93 -1.007 -11.362 -1.488 484 HA LEU 93 HA LEU 93 0.228 -12.569 0.722 485 2HB LEU 93 2HB LEU 93 -0.938 -10.990 2.022 486 HG LEU 93 HG LEU 93 -0.889 -9.487 -0.583 487 1HD1 LEU 93 1HD1 LEU 93 -0.562 -8.853 2.322 488 2HD1 LEU 93 2HD1 LEU 93 0.287 -7.850 1.121 489 3HD1 LEU 93 3HD1 LEU 93 -1.485 -8.006 1.057 490 1HD2 LEU 93 1HD2 LEU 93 1.444 -9.342 -0.651 491 2HD2 LEU 93 2HD2 LEU 93 1.630 -10.022 0.984 492 3HD2 LEU 93 3HD2 LEU 93 1.119 -11.069 -0.362 493 H ASN 94 H ASN 94 -1.914 -12.703 2.639 494 HA ASN 94 HA ASN 94 -2.900 -15.297 1.869 495 2HB ASN 94 2HB ASN 94 -3.734 -15.183 4.378 496 1HD2 ASN 94 1HD2 ASN 94 -0.471 -13.921 3.951 497 2HD2 ASN 94 2HD2 ASN 94 0.392 -15.397 4.225 498 H GLY 95 H GLY 95 -3.859 -12.031 1.771 499 1HA GLY 95 1HA GLY 95 -5.955 -11.473 0.804 500 2HA GLY 95 2HA GLY 95 -6.707 -12.789 1.683 501 H LYS 96 H LYS 96 -5.875 -12.527 4.288 502 HA LYS 96 HA LYS 96 -7.391 -10.293 5.137 503 2HB LYS 96 2HB LYS 96 -6.491 -11.107 7.429 504 2HG LYS 96 2HG LYS 96 -7.871 -13.358 6.004 505 2HD LYS 96 2HD LYS 96 -8.307 -11.704 8.522 506 2HE LYS 96 2HE LYS 96 -10.169 -13.696 7.161 507 1HZ LYS 96 1HZ LYS 96 -10.703 -14.410 9.156 508 2HZ LYS 96 2HZ LYS 96 -9.602 -13.445 9.879 509 3HZ LYS 96 3HZ LYS 96 -11.119 -12.899 9.616 510 H ASN 97 H ASN 97 -3.925 -10.988 4.680 511 HA ASN 97 HA ASN 97 -3.038 -8.800 6.180 512 2HB ASN 97 2HB ASN 97 -1.065 -9.275 4.240 513 1HD2 ASN 97 1HD2 ASN 97 -0.372 -8.285 6.270 514 2HD2 ASN 97 2HD2 ASN 97 0.179 -9.288 7.569 515 H ALA 98 H ALA 98 -4.170 -9.336 2.843 516 HA ALA 98 HA ALA 98 -3.077 -7.013 1.690 517 1HB ALA 98 1HB ALA 98 -3.749 -8.654 0.169 518 2HB ALA 98 2HB ALA 98 -5.278 -8.967 1.026 519 3HB ALA 98 3HB ALA 98 -5.086 -7.484 0.060 520 H ARG 99 H ARG 99 -6.203 -7.763 3.333 521 HA ARG 99 HA ARG 99 -7.297 -5.252 2.805 522 2HB ARG 99 2HB ARG 99 -8.450 -6.270 5.214 523 2HG ARG 99 2HG ARG 99 -9.496 -7.166 2.543 524 2HD ARG 99 2HD ARG 99 -10.927 -7.417 4.514 525 HE ARG 99 HE ARG 99 -9.982 -4.712 5.181 526 1HH1 ARG 99 2HH2 ARG 99 -12.410 -7.183 5.791 527 2HH1 ARG 99 1HH2 ARG 99 -12.846 -6.553 7.344 528 1HH2 ARG 99 2HH1 ARG 99 -10.555 -3.879 7.229 529 2HH2 ARG 99 1HH1 ARG 99 -11.783 -4.661 8.168 530 H GLU 100 H GLU 100 -5.428 -6.665 5.546 531 HA GLU 100 HA GLU 100 -5.737 -4.380 7.168 532 2HB GLU 100 2HB GLU 100 -3.811 -5.512 8.471 533 2HG GLU 100 2HG GLU 100 -5.809 -7.661 8.143 534 H PHE 101 H PHE 101 -3.341 -5.530 4.772 535 HA PHE 101 HA PHE 101 -1.278 -3.786 5.389 536 2HB PHE 101 2HB PHE 101 -2.363 -5.194 2.904 537 HD1 PHE 101 1HD PHE 101 -2.303 -3.254 1.355 538 HD2 PHE 101 2HD PHE 101 1.182 -4.615 3.357 539 HE1 PHE 101 1HE PHE 101 -0.873 -1.989 -0.274 540 HE2 PHE 101 2HE PHE 101 2.612 -3.350 1.728 541 HZ PHE 101 HZ PHE 101 1.569 -2.052 -0.068 542 H MET 102 H MET 102 -4.085 -3.408 3.125 543 HA MET 102 HA MET 102 -3.288 -0.922 2.185 544 2HB MET 102 2HB MET 102 -5.903 -0.795 1.719 545 2HG MET 102 2HG MET 102 -5.714 -2.449 -0.103 546 1HE MET 102 1HE MET 102 -4.402 1.111 -0.915 547 2HE MET 102 2HE MET 102 -5.468 -0.125 -1.626 548 3HE MET 102 3HE MET 102 -5.640 0.320 0.089 549 H GLY 103 H GLY 103 -4.907 -1.939 5.158 550 1HA GLY 103 1HA GLY 103 -5.976 0.662 5.784 551 2HA GLY 103 2HA GLY 103 -5.938 -0.761 6.807 552 H GLU 104 H GLU 104 -2.877 -0.027 5.329 553 HA GLU 104 HA GLU 104 -2.081 1.427 7.722 554 2HB GLU 104 2HB GLU 104 0.175 0.093 7.382 555 2HG GLU 104 2HG GLU 104 -1.709 -1.884 8.419 556 H LEU 105 H LEU 105 -1.724 0.725 4.254 557 HA LEU 105 HA LEU 105 0.247 2.865 4.013 558 2HB LEU 105 2HB LEU 105 -0.214 0.376 2.695 559 HG LEU 105 HG LEU 105 0.263 1.093 0.372 560 1HD1 LEU 105 1HD1 LEU 105 -2.220 0.874 1.662 561 2HD1 LEU 105 2HD1 LEU 105 -2.370 2.266 0.562 562 3HD1 LEU 105 3HD1 LEU 105 -1.872 0.679 -0.072 563 1HD2 LEU 105 1HD2 LEU 105 0.531 3.633 1.487 564 2HD2 LEU 105 2HD2 LEU 105 0.546 3.211 -0.242 565 3HD2 LEU 105 3HD2 LEU 105 -0.973 3.716 0.537 566 H TRP 106 H TRP 106 -3.110 1.939 3.219 567 HA TRP 106 HA TRP 106 -3.640 4.008 1.422 568 2HB TRP 106 2HB TRP 106 -5.629 2.778 3.326 569 HD1 TRP 106 HD TRP 106 -7.885 3.967 2.792 570 HE1 TRP 106 1HE TRP 106 -9.151 4.986 0.713 571 HE3 TRP 106 3HE TRP 106 -4.162 3.101 -0.561 572 HZ2 TRP 106 2HZ TRP 106 -8.467 5.309 -2.039 573 HZ3 TRP 106 3HZ TRP 106 -4.542 3.798 -2.924 574 HH2 TRP 106 HH TRP 106 -6.605 4.867 -3.682 575 HA PRO 107 HA PRO 107 -4.731 6.359 5.414 576 2HB PRO 107 2HB PRO 107 -5.343 5.100 7.242 577 2HG PRO 107 2HG PRO 107 -4.658 2.899 7.167 578 2HD PRO 107 2HD PRO 107 -4.438 2.616 4.896 579 H LEU 108 H LEU 108 -1.613 4.932 5.037 580 HA LEU 108 HA LEU 108 -0.127 6.907 6.311 581 2HB LEU 108 2HB LEU 108 1.186 5.819 3.974 582 HG LEU 108 HG LEU 108 1.863 6.287 6.636 583 1HD1 LEU 108 1HD1 LEU 108 0.946 4.222 7.416 584 2HD1 LEU 108 2HD1 LEU 108 1.742 3.308 6.113 585 3HD1 LEU 108 3HD1 LEU 108 2.719 4.062 7.396 586 1HD2 LEU 108 1HD2 LEU 108 3.722 4.566 5.132 587 2HD2 LEU 108 2HD2 LEU 108 3.136 5.994 4.245 588 3HD2 LEU 108 3HD2 LEU 108 3.949 6.193 5.816 589 H LEU 109 H LEU 109 -1.397 6.659 2.943 590 HA LEU 109 HA LEU 109 -0.155 9.077 2.125 591 2HB LEU 109 2HB LEU 109 -1.300 8.771 0.092 592 HG LEU 109 HG LEU 109 -0.892 5.974 1.188 593 1HD1 LEU 109 1HD1 LEU 109 -1.603 5.211 -0.766 594 2HD1 LEU 109 2HD1 LEU 109 -1.959 6.873 -1.299 595 3HD1 LEU 109 3HD1 LEU 109 -0.354 6.166 -1.601 596 1HD2 LEU 109 1HD2 LEU 109 1.134 7.253 -0.568 597 2HD2 LEU 109 2HD2 LEU 109 1.034 7.840 1.110 598 3HD2 LEU 109 3HD2 LEU 109 1.332 6.115 0.787 599 H LEU 110 H LEU 110 -3.229 8.170 3.674 600 HA LEU 110 HA LEU 110 -4.708 10.425 3.142 601 2HB LEU 110 2HB LEU 110 -5.503 9.821 5.643 602 HG LEU 110 HG LEU 110 -7.197 9.390 4.196 603 1HD1 LEU 110 1HD1 LEU 110 -6.796 7.853 2.117 604 2HD1 LEU 110 2HD1 LEU 110 -6.248 9.547 2.102 605 3HD1 LEU 110 3HD1 LEU 110 -5.082 8.236 2.409 606 1HD2 LEU 110 1HD2 LEU 110 -6.479 6.521 4.049 607 2HD2 LEU 110 2HD2 LEU 110 -6.490 7.244 5.676 608 3HD2 LEU 110 3HD2 LEU 110 -7.950 7.316 4.660 609 H SER 111 H SER 111 -2.248 9.844 5.728 610 HA SER 111 HA SER 111 -2.595 12.483 6.720 611 2HB SER 111 2HB SER 111 -0.097 11.151 7.501 612 HG SER 111 HG SER 111 -1.708 12.752 8.654 613 H ALA 112 H ALA 112 -0.449 10.762 4.450 614 HA ALA 112 HA ALA 112 1.594 12.677 4.339 615 1HB ALA 112 1HB ALA 112 1.102 10.168 3.296 616 2HB ALA 112 2HB ALA 112 1.000 11.204 1.851 617 3HB ALA 112 3HB ALA 112 2.473 11.212 2.851 618 H GLN 113 H GLN 113 -1.439 12.207 2.417 619 HA GLN 113 HA GLN 113 -0.963 14.296 0.672 620 2HB GLN 113 2HB GLN 113 -2.670 12.533 0.314 621 2HG GLN 113 2HG GLN 113 -3.955 13.901 2.701 622 1HE2 GLN 113 1HE2 GLN 113 -4.883 11.094 0.780 623 2HE2 GLN 113 2HE2 GLN 113 -6.483 11.611 0.365 624 H GLU 114 H GLU 114 -1.643 14.320 4.048 625 HA GLU 114 HA GLU 114 -2.927 16.891 3.957 626 2HB GLU 114 2HB GLU 114 -2.870 16.620 6.501 627 2HG GLU 114 2HG GLU 114 -4.175 14.135 5.892 628 H ASN 115 H ASN 115 0.247 15.631 3.892 629 HA ASN 115 HA ASN 115 1.405 17.723 5.452 630 2HB ASN 115 2HB ASN 115 3.344 16.404 3.752 631 1HD2 ASN 115 1HD2 ASN 115 1.751 15.209 6.683 632 2HD2 ASN 115 2HD2 ASN 115 3.023 15.574 7.799 633 H ILE 116 H ILE 116 3.718 18.312 3.818 634 HA ILE 116 HA ILE 116 2.436 19.771 1.615 635 HB ILE 116 HB ILE 116 3.493 20.982 3.635 636 2HG1 ILE 116 2HG1 ILE 116 3.771 22.857 2.329 637 1HG2 ILE 116 1HG2 ILE 116 5.929 21.473 3.274 638 2HG2 ILE 116 2HG2 ILE 116 5.566 19.824 3.837 639 3HG2 ILE 116 3HG2 ILE 116 5.968 20.111 2.128 640 1HD1 ILE 116 1HD1 ILE 116 5.077 20.979 0.331 641 2HD1 ILE 116 2HD1 ILE 116 4.514 22.596 -0.154 642 3HD1 ILE 116 3HD1 ILE 116 5.761 22.429 1.104 643 H ALA 117 H ALA 117 5.289 17.838 2.665 644 HA ALA 117 HA ALA 117 6.271 17.757 -0.054 645 1HB ALA 117 1HB ALA 117 7.607 15.931 1.720 646 2HB ALA 117 2HB ALA 117 8.213 17.457 1.031 647 3HB ALA 117 3HB ALA 117 7.339 17.466 2.582 648 H GLY 118 H GLY 118 3.710 16.355 1.484 649 1HA GLY 118 1HA GLY 118 2.422 14.584 0.959 650 2HA GLY 118 2HA GLY 118 3.455 14.275 -0.422 651 H ILE 119 H ILE 119 4.447 14.415 3.048 652 HA ILE 119 HA ILE 119 5.122 11.563 2.823 653 HB ILE 119 HB ILE 119 6.691 13.903 3.648 654 2HG1 ILE 119 2HG1 ILE 119 7.231 11.146 2.543 655 1HG2 ILE 119 1HG2 ILE 119 6.861 11.354 5.280 656 2HG2 ILE 119 2HG2 ILE 119 7.948 12.760 5.387 657 3HG2 ILE 119 3HG2 ILE 119 6.238 12.918 5.856 658 1HD1 ILE 119 1HD1 ILE 119 6.602 13.576 1.345 659 2HD1 ILE 119 2HD1 ILE 119 8.382 13.574 1.310 660 3HD1 ILE 119 3HD1 ILE 119 7.476 12.240 0.558 661 HA PRO 120 HA PRO 120 2.489 11.099 6.223 662 2HB PRO 120 2HB PRO 120 2.033 8.915 5.650 663 2HG PRO 120 2HG PRO 120 3.593 7.938 4.260 664 2HD PRO 120 2HD PRO 120 4.487 9.811 3.270 665 H SER 121 H SER 121 2.313 11.132 8.500 666 HA SER 121 HA SER 121 4.540 12.307 9.648 667 2HB SER 121 2HB SER 121 2.122 12.551 10.374 668 HG SER 121 HG SER 121 1.178 10.668 10.825 669 H ALA 122 H ALA 122 3.771 8.994 9.007 670 HA ALA 122 HA ALA 122 4.942 7.724 11.192 671 1HB ALA 122 1HB ALA 122 3.638 7.002 8.856 672 2HB ALA 122 2HB ALA 122 5.291 6.399 8.583 673 3HB ALA 122 3HB ALA 122 4.378 5.874 10.018 674 H PHE 123 H PHE 123 6.299 9.410 8.389 675 HA PHE 123 HA PHE 123 8.944 8.360 9.029 676 2HB PHE 123 2HB PHE 123 9.500 9.421 6.833 677 HD1 PHE 123 1HD PHE 123 7.711 9.244 4.522 678 HD2 PHE 123 2HD PHE 123 7.852 6.861 8.030 679 HE1 PHE 123 1HE PHE 123 6.703 7.325 3.257 680 HE2 PHE 123 2HE PHE 123 6.843 4.941 6.766 681 HZ PHE 123 HZ PHE 123 6.281 5.196 4.395 682 H LEU 124 H LEU 124 7.001 11.381 8.905 683 HA LEU 124 HA LEU 124 9.024 13.209 9.281 684 2HB LEU 124 2HB LEU 124 7.296 14.671 10.160 685 HG LEU 124 HG LEU 124 6.219 12.906 7.945 686 1HD1 LEU 124 1HD1 LEU 124 4.742 14.672 9.440 687 2HD1 LEU 124 2HD1 LEU 124 5.277 15.681 8.074 688 3HD1 LEU 124 3HD1 LEU 124 4.385 14.172 7.769 689 1HD2 LEU 124 1HD2 LEU 124 7.020 14.680 6.446 690 2HD2 LEU 124 2HD2 LEU 124 7.721 15.536 7.841 691 3HD2 LEU 124 3HD2 LEU 124 8.348 13.938 7.371 692 H GLU 125 H GLU 125 6.864 11.952 11.922 693 HA GLU 125 HA GLU 125 8.346 12.900 13.976 694 2HB GLU 125 2HB GLU 125 6.878 10.230 14.001 695 2HG GLU 125 2HG GLU 125 8.212 11.673 16.034 696 H LEU 126 H LEU 126 8.455 9.462 12.770 697 HA LEU 126 HA LEU 126 10.737 8.814 14.251 698 2HB LEU 126 2HB LEU 126 10.807 6.984 12.330 699 HG LEU 126 HG LEU 126 8.656 7.187 14.448 700 1HD1 LEU 126 1HD1 LEU 126 8.192 5.699 12.326 701 2HD1 LEU 126 2HD1 LEU 126 9.325 4.585 13.128 702 3HD1 LEU 126 3HD1 LEU 126 7.840 5.099 13.965 703 1HD2 LEU 126 1HD2 LEU 126 10.302 5.127 15.149 704 2HD2 LEU 126 2HD2 LEU 126 11.446 6.247 14.373 705 3HD2 LEU 126 3HD2 LEU 126 10.449 6.800 15.739 706 H LYS 127 H LYS 127 12.619 7.698 12.578 707 HA LYS 127 HA LYS 127 13.838 10.107 11.520 708 2HB LYS 127 2HB LYS 127 15.058 8.613 13.093 709 2HG LYS 127 2HG LYS 127 15.779 6.674 10.997 710 2HD LYS 127 2HD LYS 127 14.586 6.136 13.743 711 2HE LYS 127 2HE LYS 127 16.572 4.718 11.913 712 1HZ LYS 127 1HZ LYS 127 16.803 4.815 14.566 713 2HZ LYS 127 2HZ LYS 127 15.845 3.504 14.393 714 3HZ LYS 127 3HZ LYS 127 17.295 3.559 13.646 715 H LYS 128 H LYS 128 14.056 10.576 9.380 716 HA LYS 128 HA LYS 128 12.565 9.113 7.515 717 2HB LYS 128 2HB LYS 128 12.834 11.424 7.142 718 2HG LYS 128 2HG LYS 128 15.548 10.934 8.064 719 2HD LYS 128 2HD LYS 128 15.466 12.827 5.705 720 2HE LYS 128 2HE LYS 128 17.941 11.457 5.967 721 1HZ LYS 128 1HZ LYS 128 17.381 14.051 7.182 722 2HZ LYS 128 2HZ LYS 128 18.707 13.570 6.360 723 3HZ LYS 128 3HZ LYS 128 17.317 13.876 5.560 724 H GLU 129 H GLU 129 13.075 7.480 6.100 725 HA GLU 129 HA GLU 129 15.417 6.030 6.684 726 2HB GLU 129 2HB GLU 129 14.105 5.229 4.198 727 2HG GLU 129 2HG GLU 129 14.051 3.979 6.982 728 H GLU 130 H GLU 130 17.324 5.759 5.462 729 HA GLU 130 HA GLU 130 18.141 7.941 3.992 730 2HB GLU 130 2HB GLU 130 19.721 5.677 3.225 731 2HG GLU 130 2HG GLU 130 21.041 6.754 5.363 732 H ILE 131 H ILE 131 18.240 8.420 1.781 733 HA ILE 131 HA ILE 131 16.337 7.184 0.138 734 HB ILE 131 HB ILE 131 18.597 9.097 -0.436 735 2HG1 ILE 131 2HG1 ILE 131 16.869 10.795 -0.449 736 1HG2 ILE 131 1HG2 ILE 131 17.197 7.535 -2.311 737 2HG2 ILE 131 2HG2 ILE 131 16.477 9.162 -2.390 738 3HG2 ILE 131 3HG2 ILE 131 18.231 8.952 -2.619 739 1HD1 ILE 131 1HD1 ILE 131 15.111 8.547 -0.758 740 2HD1 ILE 131 2HD1 ILE 131 14.700 9.346 0.777 741 3HD1 ILE 131 3HD1 ILE 131 14.688 10.275 -0.741 742 H LYS 132 H LYS 132 16.449 5.527 -1.329 743 HA LYS 132 HA LYS 132 18.882 3.965 -1.255 744 2HB LYS 132 2HB LYS 132 16.796 2.906 -2.959 745 2HG LYS 132 2HG LYS 132 18.277 2.164 -0.430 746 2HD LYS 132 2HD LYS 132 15.626 1.094 -1.353 747 2HE LYS 132 2HE LYS 132 17.572 -0.678 -1.717 748 1HZ LYS 132 1HZ LYS 132 17.089 -1.084 1.130 749 2HZ LYS 132 2HZ LYS 132 18.270 -1.709 0.191 750 3HZ LYS 132 3HZ LYS 132 18.328 -0.140 0.640 751 H GLN 133 H GLN 133 19.680 2.998 -3.395 752 HA GLN 133 HA GLN 133 20.647 4.986 -4.957 753 2HB GLN 133 2HB GLN 133 21.542 2.676 -4.883 754 2HG GLN 133 2HG GLN 133 18.831 2.058 -5.849 755 1HE2 GLN 133 1HE2 GLN 133 18.437 1.897 -7.937 756 2HE2 GLN 133 2HE2 GLN 133 19.351 0.991 -9.096 757 H ARG 134 H ARG 134 20.280 5.121 -7.490 758 HA ARG 134 HA ARG 134 17.396 5.270 -7.863 759 2HB ARG 134 2HB ARG 134 18.083 7.087 -9.626 760 2HG ARG 134 2HG ARG 134 17.804 7.230 -6.706 761 2HD ARG 134 2HD ARG 134 19.929 8.832 -7.923 762 HE ARG 134 HE ARG 134 17.516 10.286 -7.608 763 1HH1 ARG 134 2HH2 ARG 134 20.841 10.445 -6.465 764 2HH1 ARG 134 1HH2 ARG 134 20.828 12.167 -6.276 765 1HH2 ARG 134 2HH1 ARG 134 17.498 12.558 -7.359 766 2HH2 ARG 134 1HH1 ARG 134 18.914 13.377 -6.788 Start of MODEL 13 1 1H SER 24 H SER 24 -3.893 -9.088 -12.714 2 HA SER 24 HA SER 24 -6.338 -8.257 -11.520 3 2HB SER 24 2HB SER 24 -6.262 -8.445 -14.560 4 HG SER 24 HG SER 24 -8.373 -8.550 -14.167 5 H HIS 25 H HIS 25 -4.769 -10.511 -11.052 6 HA HIS 25 HA HIS 25 -6.204 -12.608 -12.512 7 2HB HIS 25 2HB HIS 25 -3.763 -12.578 -12.883 8 HD1 HIS 25 1HD HIS 25 -3.388 -14.684 -9.845 9 HD2 HIS 25 2HD HIS 25 -2.290 -10.834 -11.096 10 HE1 HIS 25 1HE HIS 25 -1.612 -13.877 -8.200 11 H MET 26 H MET 26 -7.467 -11.202 -10.396 12 HA MET 26 HA MET 26 -8.330 -13.280 -8.853 13 2HB MET 26 2HB MET 26 -6.222 -13.355 -7.664 14 2HG MET 26 2HG MET 26 -5.651 -10.931 -6.514 15 1HE MET 26 1HE MET 26 -3.217 -9.854 -7.270 16 2HE MET 26 2HE MET 26 -2.622 -10.085 -8.933 17 3HE MET 26 3HE MET 26 -4.184 -9.279 -8.650 18 H GLN 27 H GLN 27 -9.934 -12.576 -7.196 19 HA GLN 27 HA GLN 27 -10.403 -9.755 -7.053 20 2HB GLN 27 2HB GLN 27 -12.900 -10.244 -7.761 21 2HG GLN 27 2HG GLN 27 -11.245 -10.363 -10.214 22 1HE2 GLN 27 1HE2 GLN 27 -11.309 -7.566 -10.590 23 2HE2 GLN 27 2HE2 GLN 27 -12.954 -7.051 -10.757 24 H LEU 28 H LEU 28 -11.754 -9.180 -5.253 25 HA LEU 28 HA LEU 28 -13.243 -11.081 -3.822 26 2HB LEU 28 2HB LEU 28 -11.338 -12.148 -3.081 27 HG LEU 28 HG LEU 28 -9.391 -11.003 -2.021 28 1HD1 LEU 28 1HD1 LEU 28 -9.589 -11.840 -4.485 29 2HD1 LEU 28 2HD1 LEU 28 -9.517 -10.106 -4.883 30 3HD1 LEU 28 3HD1 LEU 28 -8.184 -10.869 -3.983 31 1HD2 LEU 28 1HD2 LEU 28 -9.983 -8.477 -3.478 32 2HD2 LEU 28 2HD2 LEU 28 -10.859 -8.769 -1.956 33 3HD2 LEU 28 3HD2 LEU 28 -9.079 -8.757 -1.970 34 H LYS 29 H LYS 29 -13.286 -9.979 -1.290 35 HA LYS 29 HA LYS 29 -14.314 -7.342 -1.919 36 2HB LYS 29 2HB LYS 29 -14.602 -9.212 0.438 37 2HG LYS 29 2HG LYS 29 -15.660 -6.364 0.102 38 2HD LYS 29 2HD LYS 29 -16.054 -7.755 2.677 39 2HE LYS 29 2HE LYS 29 -18.370 -6.782 1.075 40 1HZ LYS 29 1HZ LYS 29 -18.916 -6.806 3.217 41 2HZ LYS 29 2HZ LYS 29 -17.376 -6.730 3.757 42 3HZ LYS 29 3HZ LYS 29 -18.152 -5.365 3.310 43 H PHE 30 H PHE 30 -13.768 -5.450 -0.602 44 HA PHE 30 HA PHE 30 -11.030 -5.671 0.438 45 2HB PHE 30 2HB PHE 30 -10.695 -4.071 -1.213 46 HD1 PHE 30 1HD PHE 30 -14.039 -2.664 -0.514 47 HD2 PHE 30 2HD PHE 30 -11.628 -4.817 -3.263 48 HE1 PHE 30 1HE PHE 30 -15.814 -2.408 -2.270 49 HE2 PHE 30 2HE PHE 30 -13.403 -4.562 -5.019 50 HZ PHE 30 HZ PHE 30 -15.474 -3.360 -4.501 51 H ALA 31 H ALA 31 -10.782 -3.214 1.689 52 HA ALA 31 HA ALA 31 -12.537 -3.617 3.962 53 1HB ALA 31 1HB ALA 31 -10.573 -3.191 4.974 54 2HB ALA 31 2HB ALA 31 -9.839 -2.630 3.453 55 3HB ALA 31 3HB ALA 31 -10.764 -1.496 4.467 56 H GLU 32 H GLU 32 -12.651 -1.029 5.029 57 HA GLU 32 HA GLU 32 -14.398 0.212 3.059 58 2HB GLU 32 2HB GLU 32 -15.399 1.361 5.109 59 2HG GLU 32 2HG GLU 32 -15.533 -1.608 5.591 60 H CYS 33 H CYS 33 -11.843 0.861 5.530 61 HA CYS 33 HA CYS 33 -11.676 3.571 5.282 62 2HB CYS 33 2HB CYS 33 -9.331 3.340 6.030 63 HG CYS 33 HG CYS 33 -9.635 1.720 8.205 64 H LEU 34 H LEU 34 -10.943 1.032 2.980 65 HA LEU 34 HA LEU 34 -9.028 2.392 1.438 66 2HB LEU 34 2HB LEU 34 -9.385 0.699 -0.176 67 HG LEU 34 HG LEU 34 -10.181 -0.847 2.272 68 1HD1 LEU 34 1HD1 LEU 34 -9.661 -1.825 -0.062 69 2HD1 LEU 34 2HD1 LEU 34 -7.962 -1.473 0.336 70 3HD1 LEU 34 3HD1 LEU 34 -8.909 -2.572 1.368 71 1HD2 LEU 34 1HD2 LEU 34 -7.531 0.560 1.865 72 2HD2 LEU 34 2HD2 LEU 34 -8.669 0.737 3.223 73 3HD2 LEU 34 3HD2 LEU 34 -7.781 -0.789 2.999 74 H GLU 35 H GLU 35 -12.305 3.080 2.077 75 HA GLU 35 HA GLU 35 -12.712 4.262 -0.527 76 2HB GLU 35 2HB GLU 35 -15.018 4.600 0.185 77 2HG GLU 35 2HG GLU 35 -14.550 1.962 1.504 78 H LYS 36 H LYS 36 -10.676 5.226 1.537 79 HA LYS 36 HA LYS 36 -11.809 7.801 2.271 80 2HB LYS 36 2HB LYS 36 -9.447 8.006 3.338 81 2HG LYS 36 2HG LYS 36 -10.461 5.919 4.941 82 2HD LYS 36 2HD LYS 36 -11.777 8.553 5.293 83 2HE LYS 36 2HE LYS 36 -9.645 7.261 7.031 84 1HZ LYS 36 1HZ LYS 36 -10.398 9.300 7.821 85 2HZ LYS 36 2HZ LYS 36 -11.963 8.999 7.461 86 3HZ LYS 36 3HZ LYS 36 -11.241 8.204 8.691 87 H LYS 37 H LYS 37 -10.319 6.346 -0.396 88 HA LYS 37 HA LYS 37 -9.264 7.103 -2.184 89 2HB LYS 37 2HB LYS 37 -9.866 9.472 -2.887 90 2HG LYS 37 2HG LYS 37 -11.398 7.100 -2.783 91 2HD LYS 37 2HD LYS 37 -12.703 9.229 -1.262 92 2HE LYS 37 2HE LYS 37 -13.715 8.673 -3.998 93 1HZ LYS 37 1HZ LYS 37 -15.432 8.399 -1.635 94 2HZ LYS 37 2HZ LYS 37 -16.014 8.766 -3.115 95 3HZ LYS 37 3HZ LYS 37 -15.260 7.340 -2.866 96 H VAL 38 H VAL 38 -7.636 8.881 -3.045 97 HA VAL 38 HA VAL 38 -6.110 10.102 -0.924 98 HB VAL 38 HB VAL 38 -4.078 8.927 -1.354 99 1HG1 VAL 38 1HG1 VAL 38 -5.681 7.939 0.276 100 2HG1 VAL 38 2HG1 VAL 38 -6.284 6.869 -1.013 101 3HG1 VAL 38 3HG1 VAL 38 -4.597 6.736 -0.462 102 1HG2 VAL 38 1HG2 VAL 38 -4.764 8.514 -3.841 103 2HG2 VAL 38 2HG2 VAL 38 -3.696 7.351 -3.018 104 3HG2 VAL 38 3HG2 VAL 38 -5.427 6.984 -3.216 105 H ASP 39 H ASP 39 -3.728 10.400 -2.607 106 HA ASP 39 HA ASP 39 -4.431 11.298 -5.134 107 2HB ASP 39 2HB ASP 39 -3.803 13.655 -3.355 108 H MET 40 H MET 40 -2.413 10.350 -5.730 109 HA MET 40 HA MET 40 -0.095 10.641 -4.237 110 2HB MET 40 2HB MET 40 1.004 9.761 -6.331 111 2HG MET 40 2HG MET 40 -0.666 7.803 -6.739 112 1HE MET 40 1HE MET 40 -1.274 9.110 -3.462 113 2HE MET 40 2HE MET 40 -0.706 7.783 -2.422 114 3HE MET 40 3HE MET 40 0.328 9.205 -2.694 115 H SER 41 H SER 41 -1.684 12.761 -6.551 116 HA SER 41 HA SER 41 0.621 14.180 -7.299 117 2HB SER 41 2HB SER 41 -1.888 15.719 -7.377 118 HG SER 41 HG SER 41 0.155 14.834 -9.143 119 H LYS 42 H LYS 42 -0.949 13.885 -4.330 120 HA LYS 42 HA LYS 42 -0.087 16.579 -3.528 121 2HB LYS 42 2HB LYS 42 -1.887 16.762 -2.063 122 2HG LYS 42 2HG LYS 42 -3.935 15.997 -3.385 123 2HD LYS 42 2HD LYS 42 -2.277 17.142 -5.530 124 2HE LYS 42 2HE LYS 42 -4.786 17.693 -4.038 125 1HZ LYS 42 1HZ LYS 42 -3.200 19.904 -5.151 126 2HZ LYS 42 2HZ LYS 42 -4.731 20.009 -4.592 127 3HZ LYS 42 3HZ LYS 42 -3.508 19.680 -3.562 128 H VAL 43 H VAL 43 -0.251 13.074 -2.780 129 HA VAL 43 HA VAL 43 1.732 13.549 -0.666 130 HB VAL 43 HB VAL 43 0.189 12.424 0.496 131 1HG1 VAL 43 1HG1 VAL 43 -1.613 11.065 -0.438 132 2HG1 VAL 43 2HG1 VAL 43 -1.492 12.617 -1.302 133 3HG1 VAL 43 3HG1 VAL 43 -0.855 11.131 -2.047 134 1HG2 VAL 43 1HG2 VAL 43 1.983 10.808 0.425 135 2HG2 VAL 43 2HG2 VAL 43 0.430 9.939 0.384 136 3HG2 VAL 43 3HG2 VAL 43 1.378 10.138 -1.109 137 H ASN 44 H ASN 44 3.599 12.137 -0.575 138 HA ASN 44 HA ASN 44 4.419 11.419 -3.225 139 2HB ASN 44 2HB ASN 44 6.518 10.703 -1.569 140 1HD2 ASN 44 1HD2 ASN 44 8.289 12.153 -1.693 141 2HD2 ASN 44 2HD2 ASN 44 8.308 13.469 -2.820 142 H LEU 45 H LEU 45 4.467 9.275 -3.965 143 HA LEU 45 HA LEU 45 3.656 7.228 -2.066 144 2HB LEU 45 2HB LEU 45 2.903 7.808 -4.640 145 HG LEU 45 HG LEU 45 3.447 5.963 -6.049 146 1HD1 LEU 45 1HD1 LEU 45 5.246 6.988 -6.849 147 2HD1 LEU 45 2HD1 LEU 45 5.297 7.948 -5.351 148 3HD1 LEU 45 3HD1 LEU 45 6.241 6.445 -5.477 149 1HD2 LEU 45 1HD2 LEU 45 3.944 4.537 -3.795 150 2HD2 LEU 45 2HD2 LEU 45 4.401 4.022 -5.436 151 3HD2 LEU 45 3HD2 LEU 45 5.600 4.814 -4.386 152 H GLU 46 H GLU 46 6.451 8.417 -3.850 153 HA GLU 46 HA GLU 46 7.921 6.091 -3.940 154 2HB GLU 46 2HB GLU 46 9.712 8.271 -3.465 155 2HG GLU 46 2HG GLU 46 8.613 6.886 -5.944 156 H VAL 47 H VAL 47 7.435 8.498 -1.319 157 HA VAL 47 HA VAL 47 9.445 7.492 0.373 158 HB VAL 47 HB VAL 47 8.160 8.746 2.115 159 1HG1 VAL 47 1HG1 VAL 47 9.063 10.728 1.437 160 2HG1 VAL 47 2HG1 VAL 47 9.823 9.673 0.223 161 3HG1 VAL 47 3HG1 VAL 47 8.372 10.614 -0.200 162 1HG2 VAL 47 1HG2 VAL 47 6.075 8.546 0.127 163 2HG2 VAL 47 2HG2 VAL 47 5.986 9.132 1.806 164 3HG2 VAL 47 3HG2 VAL 47 6.410 10.255 0.491 165 H ILE 48 H ILE 48 6.559 6.096 -0.762 166 HA ILE 48 HA ILE 48 6.319 4.457 1.660 167 HB ILE 48 HB ILE 48 4.264 4.327 -0.465 168 2HG1 ILE 48 2HG1 ILE 48 3.194 6.380 0.076 169 1HG2 ILE 48 1HG2 ILE 48 4.452 4.090 2.506 170 2HG2 ILE 48 2HG2 ILE 48 2.896 4.570 1.787 171 3HG2 ILE 48 3HG2 ILE 48 3.657 3.032 1.315 172 1HD1 ILE 48 1HD1 ILE 48 5.413 6.700 2.145 173 2HD1 ILE 48 2HD1 ILE 48 4.338 8.026 1.638 174 3HD1 ILE 48 3HD1 ILE 48 3.663 6.593 2.451 175 H LYS 49 H LYS 49 7.941 4.547 -1.223 176 HA LYS 49 HA LYS 49 7.377 2.095 -2.403 177 2HB LYS 49 2HB LYS 49 9.818 2.361 -3.222 178 2HG LYS 49 2HG LYS 49 9.025 4.618 -4.427 179 2HD LYS 49 2HD LYS 49 8.496 1.797 -4.817 180 2HE LYS 49 2HE LYS 49 6.458 1.959 -6.203 181 1HZ LYS 49 1HZ LYS 49 4.907 2.296 -4.445 182 2HZ LYS 49 2HZ LYS 49 6.209 1.527 -3.831 183 3HZ LYS 49 3HZ LYS 49 5.991 3.119 -3.543 184 HA PRO 50 HA PRO 50 10.614 0.357 0.579 185 2HB PRO 50 2HB PRO 50 12.312 1.767 1.234 186 2HG PRO 50 2HG PRO 50 11.835 4.014 1.020 187 2HD PRO 50 2HD PRO 50 10.218 3.934 -0.612 188 H TRP 51 H TRP 51 8.068 2.311 1.858 189 HA TRP 51 HA TRP 51 7.676 0.698 4.163 190 2HB TRP 51 2HB TRP 51 5.758 2.593 2.796 191 HD1 TRP 51 HD TRP 51 6.365 2.910 6.499 192 HE1 TRP 51 1HE TRP 51 4.304 2.101 7.935 193 HE3 TRP 51 3HE TRP 51 3.883 0.697 2.652 194 HZ2 TRP 51 2HZ TRP 51 1.921 0.658 7.315 195 HZ3 TRP 51 3HZ TRP 51 1.696 -0.391 3.153 196 HH2 TRP 51 HH TRP 51 0.711 -0.432 5.390 197 H ILE 52 H ILE 52 6.185 0.955 0.868 198 HA ILE 52 HA ILE 52 4.349 -1.147 1.331 199 HB ILE 52 HB ILE 52 5.199 0.574 -0.910 200 2HG1 ILE 52 2HG1 ILE 52 2.970 0.280 0.786 201 1HG2 ILE 52 1HG2 ILE 52 5.511 -1.451 -2.086 202 2HG2 ILE 52 2HG2 ILE 52 4.069 -2.193 -1.351 203 3HG2 ILE 52 3HG2 ILE 52 3.887 -0.871 -2.528 204 1HD1 ILE 52 1HD1 ILE 52 4.087 2.293 -0.553 205 2HD1 ILE 52 2HD1 ILE 52 2.855 1.881 -1.770 206 3HD1 ILE 52 3HD1 ILE 52 2.361 2.344 -0.124 207 H THR 53 H THR 53 7.507 -0.931 -0.441 208 HA THR 53 HA THR 53 7.609 -3.613 -1.186 209 HB THR 53 HB THR 53 9.833 -1.600 -0.558 210 HG1 THR 53 1HG THR 53 8.308 -2.438 -2.925 211 1HG2 THR 53 1HG2 THR 53 9.785 -4.061 -2.384 212 2HG2 THR 53 2HG2 THR 53 11.123 -2.895 -2.249 213 3HG2 THR 53 3HG2 THR 53 10.706 -3.936 -0.866 214 H LYS 54 H LYS 54 8.588 -1.984 1.860 215 HA LYS 54 HA LYS 54 9.777 -4.344 2.910 216 2HB LYS 54 2HB LYS 54 8.881 -1.781 4.260 217 2HG LYS 54 2HG LYS 54 11.122 -3.136 5.490 218 2HD LYS 54 2HD LYS 54 8.521 -3.188 6.906 219 2HE LYS 54 2HE LYS 54 11.349 -2.367 7.345 220 1HZ LYS 54 1HZ LYS 54 9.581 -1.170 9.225 221 2HZ LYS 54 2HZ LYS 54 10.945 -0.572 8.554 222 3HZ LYS 54 3HZ LYS 54 9.523 -0.454 7.758 223 H ARG 55 H ARG 55 6.546 -2.789 3.041 224 HA ARG 55 HA ARG 55 5.570 -4.471 5.034 225 2HB ARG 55 2HB ARG 55 3.312 -3.732 3.634 226 2HG ARG 55 2HG ARG 55 3.309 -1.666 5.050 227 2HD ARG 55 2HD ARG 55 3.713 -4.399 5.997 228 HE ARG 55 HE ARG 55 5.273 -2.425 7.414 229 1HH1 ARG 55 2HH2 ARG 55 3.092 -5.133 7.950 230 2HH1 ARG 55 1HH2 ARG 55 3.751 -5.522 9.504 231 1HH2 ARG 55 2HH1 ARG 55 6.142 -2.936 9.464 232 2HH2 ARG 55 1HH1 ARG 55 5.497 -4.264 10.372 233 H VAL 56 H VAL 56 5.282 -4.491 1.411 234 HA VAL 56 HA VAL 56 3.732 -6.817 1.275 235 HB VAL 56 HB VAL 56 4.471 -6.836 -1.089 236 1HG1 VAL 56 1HG1 VAL 56 3.701 -4.070 -0.101 237 2HG1 VAL 56 2HG1 VAL 56 3.393 -4.759 -1.713 238 3HG1 VAL 56 3HG1 VAL 56 2.574 -5.436 -0.285 239 1HG2 VAL 56 1HG2 VAL 56 5.789 -4.474 -1.511 240 2HG2 VAL 56 2HG2 VAL 56 6.543 -5.038 -0.001 241 3HG2 VAL 56 3HG2 VAL 56 6.564 -6.075 -1.447 242 H THR 57 H THR 57 7.277 -6.220 1.348 243 HA THR 57 HA THR 57 7.962 -8.929 0.826 244 HB THR 57 HB THR 57 9.477 -6.558 2.040 245 HG1 THR 57 1HG THR 57 9.230 -6.079 -0.119 246 1HG2 THR 57 1HG2 THR 57 10.981 -8.599 0.525 247 2HG2 THR 57 2HG2 THR 57 11.376 -7.843 2.088 248 3HG2 THR 57 3HG2 THR 57 10.290 -9.253 2.030 249 H GLU 58 H GLU 58 7.412 -6.996 3.803 250 HA GLU 58 HA GLU 58 8.285 -9.095 5.470 251 2HB GLU 58 2HB GLU 58 6.891 -7.594 7.189 252 2HG GLU 58 2HG GLU 58 9.150 -6.030 6.039 253 H ILE 59 H ILE 59 5.245 -8.197 3.900 254 HA ILE 59 HA ILE 59 3.451 -9.499 5.559 255 HB ILE 59 HB ILE 59 3.515 -8.688 2.690 256 2HG1 ILE 59 2HG1 ILE 59 2.962 -7.257 4.829 257 1HG2 ILE 59 1HG2 ILE 59 1.481 -10.545 3.927 258 2HG2 ILE 59 2HG2 ILE 59 1.105 -9.499 2.538 259 3HG2 ILE 59 3HG2 ILE 59 2.383 -10.732 2.404 260 1HD1 ILE 59 1HD1 ILE 59 2.622 -5.966 2.971 261 2HD1 ILE 59 2HD1 ILE 59 1.857 -7.297 2.071 262 3HD1 ILE 59 3HD1 ILE 59 0.904 -6.349 3.238 263 H LEU 60 H LEU 60 5.397 -10.729 2.769 264 HA LEU 60 HA LEU 60 4.516 -13.425 3.483 265 2HB LEU 60 2HB LEU 60 4.402 -13.768 1.317 266 HG LEU 60 HG LEU 60 4.252 -11.102 1.265 267 1HD1 LEU 60 1HD1 LEU 60 6.821 -11.722 -0.213 268 2HD1 LEU 60 2HD1 LEU 60 5.886 -10.218 -0.402 269 3HD1 LEU 60 3HD1 LEU 60 6.599 -10.630 1.177 270 1HD2 LEU 60 1HD2 LEU 60 3.103 -11.561 -0.577 271 2HD2 LEU 60 2HD2 LEU 60 4.592 -11.952 -1.471 272 3HD2 LEU 60 3HD2 LEU 60 3.764 -13.212 -0.525 273 H GLY 61 H GLY 61 7.454 -11.404 2.883 274 1HA GLY 61 1HA GLY 61 9.154 -11.745 4.674 275 2HA GLY 61 2HA GLY 61 9.016 -13.459 4.330 276 H PHE 62 H PHE 62 8.479 -12.285 1.341 277 HA PHE 62 HA PHE 62 11.331 -11.952 0.742 278 2HB PHE 62 2HB PHE 62 10.809 -14.171 -0.002 279 HD1 PHE 62 1HD PHE 62 9.022 -15.326 1.061 280 HD2 PHE 62 2HD PHE 62 8.202 -12.628 -2.111 281 HE1 PHE 62 1HE PHE 62 6.670 -16.193 0.932 282 HE2 PHE 62 2HE PHE 62 5.850 -13.495 -2.240 283 HZ PHE 62 HZ PHE 62 5.112 -15.267 -0.717 284 H GLU 63 H GLU 63 11.792 -10.735 -1.245 285 HA GLU 63 HA GLU 63 10.044 -8.548 -1.482 286 2HB GLU 63 2HB GLU 63 12.303 -9.212 -3.403 287 2HG GLU 63 2HG GLU 63 11.802 -6.509 -2.190 288 H ASP 64 H ASP 64 8.125 -8.602 -2.566 289 HA ASP 64 HA ASP 64 7.673 -10.597 -4.517 290 2HB ASP 64 2HB ASP 64 5.507 -9.078 -4.818 291 H ASP 65 H ASP 65 6.137 -9.291 -6.500 292 HA ASP 65 HA ASP 65 7.711 -7.105 -7.493 293 2HB ASP 65 2HB ASP 65 7.328 -8.904 -9.713 294 H VAL 66 H VAL 66 5.222 -9.647 -8.293 295 HA VAL 66 HA VAL 66 3.747 -8.020 -10.041 296 HB VAL 66 HB VAL 66 3.824 -10.646 -9.399 297 1HG1 VAL 66 1HG1 VAL 66 2.606 -10.347 -7.296 298 2HG1 VAL 66 2HG1 VAL 66 1.258 -9.581 -8.169 299 3HG1 VAL 66 3HG1 VAL 66 1.643 -11.296 -8.454 300 1HG2 VAL 66 1HG2 VAL 66 1.257 -10.167 -10.576 301 2HG2 VAL 66 2HG2 VAL 66 2.398 -8.946 -11.187 302 3HG2 VAL 66 3HG2 VAL 66 2.770 -10.678 -11.362 303 H VAL 67 H VAL 67 3.610 -8.624 -6.499 304 HA VAL 67 HA VAL 67 1.205 -7.158 -6.146 305 HB VAL 67 HB VAL 67 1.414 -7.709 -3.947 306 1HG1 VAL 67 1HG1 VAL 67 3.455 -9.715 -4.893 307 2HG1 VAL 67 2HG1 VAL 67 2.064 -9.942 -3.805 308 3HG1 VAL 67 3HG1 VAL 67 1.802 -9.722 -5.553 309 1HG2 VAL 67 1HG2 VAL 67 3.360 -6.353 -3.437 310 2HG2 VAL 67 2HG2 VAL 67 3.568 -7.976 -2.735 311 3HG2 VAL 67 3HG2 VAL 67 4.433 -7.534 -4.227 312 H ILE 68 H ILE 68 4.731 -6.437 -5.827 313 HA ILE 68 HA ILE 68 4.385 -3.844 -4.840 314 HB ILE 68 HB ILE 68 6.664 -5.033 -6.425 315 2HG1 ILE 68 2HG1 ILE 68 5.912 -6.252 -4.310 316 1HG2 ILE 68 1HG2 ILE 68 8.018 -3.274 -5.722 317 2HG2 ILE 68 2HG2 ILE 68 6.495 -2.472 -6.170 318 3HG2 ILE 68 3HG2 ILE 68 6.876 -2.766 -4.456 319 1HD1 ILE 68 1HD1 ILE 68 8.666 -5.209 -3.801 320 2HD1 ILE 68 2HD1 ILE 68 8.094 -6.888 -3.943 321 3HD1 ILE 68 3HD1 ILE 68 8.381 -5.918 -5.408 322 H GLU 69 H GLU 69 4.712 -5.157 -8.189 323 HA GLU 69 HA GLU 69 4.803 -2.730 -9.466 324 2HB GLU 69 2HB GLU 69 3.385 -4.458 -11.186 325 2HG GLU 69 2HG GLU 69 6.311 -4.882 -11.100 326 H PHE 70 H PHE 70 1.994 -4.710 -8.379 327 HA PHE 70 HA PHE 70 -0.001 -3.264 -9.630 328 2HB PHE 70 2HB PHE 70 -1.113 -4.090 -7.241 329 HD1 PHE 70 1HD PHE 70 -2.039 -4.179 -9.918 330 HD2 PHE 70 2HD PHE 70 0.021 -7.201 -7.765 331 HE1 PHE 70 1HE PHE 70 -3.060 -5.931 -11.398 332 HE2 PHE 70 2HE PHE 70 -1.000 -8.952 -9.246 333 HZ PHE 70 HZ PHE 70 -2.528 -8.296 -11.045 334 H ILE 71 H ILE 71 1.515 -2.811 -6.368 335 HA ILE 71 HA ILE 71 -0.131 -0.575 -5.762 336 HB ILE 71 HB ILE 71 2.425 -1.593 -4.515 337 2HG1 ILE 71 2HG1 ILE 71 -0.203 -2.671 -4.540 338 1HG2 ILE 71 1HG2 ILE 71 2.356 0.553 -3.704 339 2HG2 ILE 71 2HG2 ILE 71 0.582 0.658 -3.805 340 3HG2 ILE 71 3HG2 ILE 71 1.344 -0.289 -2.505 341 1HD1 ILE 71 1HD1 ILE 71 2.390 -3.489 -4.000 342 2HD1 ILE 71 2HD1 ILE 71 1.634 -3.549 -2.390 343 3HD1 ILE 71 3HD1 ILE 71 0.934 -4.478 -3.737 344 H PHE 72 H PHE 72 3.172 -1.072 -7.102 345 HA PHE 72 HA PHE 72 3.909 1.624 -7.043 346 2HB PHE 72 2HB PHE 72 5.400 0.644 -9.040 347 HD1 PHE 72 1HD PHE 72 4.514 -0.164 -5.579 348 HD2 PHE 72 2HD PHE 72 7.603 -0.199 -8.488 349 HE1 PHE 72 1HE PHE 72 6.210 -0.558 -3.772 350 HE2 PHE 72 2HE PHE 72 9.299 -0.595 -6.682 351 HZ PHE 72 HZ PHE 72 8.583 -0.771 -4.345 352 H ASN 73 H ASN 73 2.440 -0.432 -9.647 353 HA ASN 73 HA ASN 73 2.431 1.594 -11.542 354 2HB ASN 73 2HB ASN 73 0.419 0.078 -12.454 355 1HD2 ASN 73 1HD2 ASN 73 3.245 -1.520 -11.024 356 2HD2 ASN 73 2HD2 ASN 73 4.121 -1.790 -12.494 357 H GLN 74 H GLN 74 0.110 0.501 -9.011 358 HA GLN 74 HA GLN 74 -1.982 2.164 -9.908 359 2HB GLN 74 2HB GLN 74 -2.809 1.634 -7.449 360 2HG GLN 74 2HG GLN 74 -3.923 0.459 -9.162 361 1HE2 GLN 74 1HE2 GLN 74 -2.253 -2.334 -9.371 362 2HE2 GLN 74 2HE2 GLN 74 -1.468 -2.159 -10.904 363 H LEU 75 H LEU 75 0.668 2.431 -7.501 364 HA LEU 75 HA LEU 75 -0.322 4.934 -6.501 365 2HB LEU 75 2HB LEU 75 1.940 4.900 -5.331 366 HG LEU 75 HG LEU 75 0.330 2.393 -4.818 367 1HD1 LEU 75 1HD1 LEU 75 1.122 2.536 -2.587 368 2HD1 LEU 75 2HD1 LEU 75 2.537 2.757 -3.645 369 3HD1 LEU 75 3HD1 LEU 75 1.792 4.165 -2.850 370 1HD2 LEU 75 1HD2 LEU 75 -1.370 3.981 -4.872 371 2HD2 LEU 75 2HD2 LEU 75 -0.909 3.929 -3.154 372 3HD2 LEU 75 3HD2 LEU 75 -0.339 5.260 -4.188 373 H GLU 76 H GLU 76 1.029 4.010 -9.406 374 HA GLU 76 HA GLU 76 2.845 6.204 -9.639 375 2HB GLU 76 2HB GLU 76 2.563 5.282 -12.193 376 2HG GLU 76 2HG GLU 76 4.158 3.322 -10.840 377 H VAL 77 H VAL 77 -0.524 5.829 -9.738 378 HA VAL 77 HA VAL 77 -0.876 7.907 -11.759 379 HB VAL 77 HB VAL 77 -3.130 7.260 -11.840 380 1HG1 VAL 77 1HG1 VAL 77 -2.971 5.106 -12.655 381 2HG1 VAL 77 2HG1 VAL 77 -1.255 5.578 -12.616 382 3HG1 VAL 77 3HG1 VAL 77 -1.927 4.559 -11.320 383 1HG2 VAL 77 1HG2 VAL 77 -4.346 6.536 -10.105 384 2HG2 VAL 77 2HG2 VAL 77 -3.217 5.202 -9.768 385 3HG2 VAL 77 3HG2 VAL 77 -2.903 6.823 -9.102 386 H LYS 78 H LYS 78 -3.196 9.144 -10.815 387 HA LYS 78 HA LYS 78 -2.111 10.517 -8.465 388 2HB LYS 78 2HB LYS 78 -3.402 12.444 -9.194 389 2HG LYS 78 2HG LYS 78 -1.114 11.621 -10.345 390 2HD LYS 78 2HD LYS 78 -2.316 10.265 -12.086 391 2HE LYS 78 2HE LYS 78 -3.700 12.878 -12.460 392 1HZ LYS 78 1HZ LYS 78 -3.992 12.143 -14.858 393 2HZ LYS 78 2HZ LYS 78 -2.632 12.964 -14.478 394 3HZ LYS 78 3HZ LYS 78 -2.579 11.343 -14.676 395 H ASN 79 H ASN 79 -4.601 8.386 -9.608 396 HA ASN 79 HA ASN 79 -5.861 8.649 -7.014 397 2HB ASN 79 2HB ASN 79 -7.906 7.984 -8.944 398 1HD2 ASN 79 1HD2 ASN 79 -6.650 11.144 -7.919 399 2HD2 ASN 79 2HD2 ASN 79 -7.909 11.533 -6.795 400 HA PRO 80 HA PRO 80 -5.035 4.337 -8.096 401 2HB PRO 80 2HB PRO 80 -3.127 4.117 -6.824 402 2HG PRO 80 2HG PRO 80 -2.729 5.866 -5.375 403 2HD PRO 80 2HD PRO 80 -3.890 7.545 -6.432 404 H ASP 81 H ASP 81 -6.133 2.354 -7.792 405 HA ASP 81 HA ASP 81 -8.667 2.903 -6.515 406 2HB ASP 81 2HB ASP 81 -7.768 0.552 -8.248 407 H SER 82 H SER 82 -7.964 2.625 -4.266 408 HA SER 82 HA SER 82 -6.374 0.720 -3.267 409 2HB SER 82 2HB SER 82 -7.298 2.491 -1.881 410 HG SER 82 HG SER 82 -9.422 2.785 -1.547 411 H LYS 83 H LYS 83 -9.579 0.324 -4.666 412 HA LYS 83 HA LYS 83 -10.305 -2.068 -3.401 413 2HB LYS 83 2HB LYS 83 -11.944 -2.264 -5.177 414 2HG LYS 83 2HG LYS 83 -12.572 0.376 -5.221 415 2HD LYS 83 2HD LYS 83 -12.791 -1.743 -3.100 416 2HE LYS 83 2HE LYS 83 -12.908 1.174 -2.564 417 1HZ LYS 83 1HZ LYS 83 -15.213 -0.542 -2.192 418 2HZ LYS 83 2HZ LYS 83 -14.846 0.503 -0.992 419 3HZ LYS 83 3HZ LYS 83 -15.152 1.061 -2.496 420 H MET 84 H MET 84 -8.602 -1.401 -6.532 421 HA MET 84 HA MET 84 -8.238 -4.138 -7.053 422 2HB MET 84 2HB MET 84 -6.366 -2.964 -8.623 423 2HG MET 84 2HG MET 84 -8.069 -2.557 -10.292 424 1HE MET 84 1HE MET 84 -6.449 -4.693 -9.519 425 2HE MET 84 2HE MET 84 -6.998 -5.303 -7.941 426 3HE MET 84 3HE MET 84 -7.171 -6.315 -9.394 427 H MET 85 H MET 85 -6.466 -1.696 -5.202 428 HA MET 85 HA MET 85 -3.963 -2.845 -5.255 429 2HB MET 85 2HB MET 85 -4.877 -1.633 -2.668 430 2HG MET 85 2HG MET 85 -2.452 -1.873 -3.457 431 1HE MET 85 1HE MET 85 -2.323 1.966 -5.486 432 2HE MET 85 2HE MET 85 -4.036 1.518 -5.666 433 3HE MET 85 3HE MET 85 -3.283 1.530 -4.052 434 H GLN 86 H GLN 86 -6.655 -3.267 -2.848 435 HA GLN 86 HA GLN 86 -5.215 -5.199 -1.400 436 2HB GLN 86 2HB GLN 86 -8.136 -5.334 -1.101 437 2HG GLN 86 2HG GLN 86 -6.839 -4.027 1.088 438 1HE2 GLN 86 1HE2 GLN 86 -9.260 -4.985 0.797 439 2HE2 GLN 86 2HE2 GLN 86 -9.517 -6.473 1.646 440 H ILE 87 H ILE 87 -7.505 -5.259 -4.133 441 HA ILE 87 HA ILE 87 -8.125 -7.994 -3.991 442 HB ILE 87 HB ILE 87 -8.348 -5.819 -6.014 443 2HG1 ILE 87 2HG1 ILE 87 -9.981 -6.544 -4.047 444 1HG2 ILE 87 1HG2 ILE 87 -8.427 -8.762 -6.620 445 2HG2 ILE 87 2HG2 ILE 87 -9.475 -7.626 -7.502 446 3HG2 ILE 87 3HG2 ILE 87 -7.707 -7.427 -7.552 447 1HD1 ILE 87 1HD1 ILE 87 -10.975 -4.814 -5.142 448 2HD1 ILE 87 2HD1 ILE 87 -10.340 -5.346 -6.719 449 3HD1 ILE 87 3HD1 ILE 87 -11.835 -6.064 -6.074 450 H ASN 88 H ASN 88 -5.490 -6.121 -5.565 451 HA ASN 88 HA ASN 88 -4.484 -8.363 -6.925 452 2HB ASN 88 2HB ASN 88 -2.347 -6.781 -6.962 453 1HD2 ASN 88 1HD2 ASN 88 -3.916 -4.199 -7.745 454 2HD2 ASN 88 2HD2 ASN 88 -4.524 -4.546 -9.330 455 H LEU 89 H LEU 89 -3.786 -6.645 -3.822 456 HA LEU 89 HA LEU 89 -1.475 -8.080 -3.159 457 2HB LEU 89 2HB LEU 89 -2.214 -7.328 -0.787 458 HG LEU 89 HG LEU 89 -1.923 -5.068 -2.769 459 1HD1 LEU 89 1HD1 LEU 89 -0.355 -4.832 -0.377 460 2HD1 LEU 89 2HD1 LEU 89 -1.674 -3.794 -0.972 461 3HD1 LEU 89 3HD1 LEU 89 -2.042 -5.203 0.052 462 1HD2 LEU 89 1HD2 LEU 89 -0.123 -6.181 -3.551 463 2HD2 LEU 89 2HD2 LEU 89 0.637 -5.554 -2.070 464 3HD2 LEU 89 3HD2 LEU 89 0.006 -7.217 -2.109 465 H THR 90 H THR 90 -4.975 -8.610 -2.437 466 HA THR 90 HA THR 90 -4.608 -10.829 -0.778 467 HB THR 90 HB THR 90 -6.925 -10.098 -2.647 468 HG1 THR 90 1HG THR 90 -7.233 -8.536 -1.096 469 1HG2 THR 90 1HG2 THR 90 -6.558 -12.056 -0.403 470 2HG2 THR 90 2HG2 THR 90 -8.014 -11.035 -0.312 471 3HG2 THR 90 3HG2 THR 90 -7.741 -12.071 -1.734 472 H GLY 91 H GLY 91 -4.208 -10.452 -4.229 473 1HA GLY 91 1HA GLY 91 -4.702 -13.148 -4.969 474 2HA GLY 91 2HA GLY 91 -3.825 -11.936 -5.881 475 H PHE 92 H PHE 92 -1.947 -11.397 -3.541 476 HA PHE 92 HA PHE 92 -0.320 -13.811 -3.907 477 2HB PHE 92 2HB PHE 92 1.150 -11.523 -2.913 478 HD1 PHE 92 1HD PHE 92 0.016 -12.958 -6.173 479 HD2 PHE 92 2HD PHE 92 3.279 -11.686 -3.776 480 HE1 PHE 92 1HE PHE 92 1.619 -13.733 -7.942 481 HE2 PHE 92 2HE PHE 92 4.881 -12.462 -5.546 482 HZ PHE 92 HZ PHE 92 4.032 -13.476 -7.607 483 H LEU 93 H LEU 93 -1.415 -11.284 -1.579 484 HA LEU 93 HA LEU 93 -0.010 -12.402 0.609 485 2HB LEU 93 2HB LEU 93 -1.261 -10.841 1.941 486 HG LEU 93 HG LEU 93 -0.903 -9.344 -0.649 487 1HD1 LEU 93 1HD1 LEU 93 0.030 -7.639 1.013 488 2HD1 LEU 93 2HD1 LEU 93 -1.723 -7.941 1.041 489 3HD1 LEU 93 3HD1 LEU 93 -0.675 -8.668 2.282 490 1HD2 LEU 93 1HD2 LEU 93 1.148 -10.835 0.857 491 2HD2 LEU 93 2HD2 LEU 93 1.145 -10.249 -0.823 492 3HD2 LEU 93 3HD2 LEU 93 1.552 -9.138 0.505 493 H ASN 94 H ASN 94 -1.946 -12.594 2.650 494 HA ASN 94 HA ASN 94 -3.044 -15.152 1.916 495 2HB ASN 94 2HB ASN 94 -3.620 -15.145 4.471 496 1HD2 ASN 94 1HD2 ASN 94 -0.484 -13.686 4.286 497 2HD2 ASN 94 2HD2 ASN 94 0.475 -15.128 4.285 498 H GLY 95 H GLY 95 -3.944 -11.826 2.189 499 1HA GLY 95 1HA GLY 95 -6.129 -11.240 1.351 500 2HA GLY 95 2HA GLY 95 -6.807 -12.559 2.284 501 H LYS 96 H LYS 96 -5.651 -12.339 4.788 502 HA LYS 96 HA LYS 96 -7.056 -10.119 5.840 503 2HB LYS 96 2HB LYS 96 -5.091 -11.589 7.523 504 2HG LYS 96 2HG LYS 96 -7.671 -10.215 7.748 505 2HD LYS 96 2HD LYS 96 -7.508 -13.118 8.481 506 2HE LYS 96 2HE LYS 96 -7.933 -11.053 10.488 507 1HZ LYS 96 1HZ LYS 96 -10.262 -12.235 9.433 508 2HZ LYS 96 2HZ LYS 96 -10.066 -12.657 10.999 509 3HZ LYS 96 3HZ LYS 96 -10.121 -11.079 10.579 510 H ASN 97 H ASN 97 -3.629 -10.841 5.085 511 HA ASN 97 HA ASN 97 -2.598 -8.644 6.444 512 2HB ASN 97 2HB ASN 97 -0.918 -9.168 4.199 513 1HD2 ASN 97 1HD2 ASN 97 -0.435 -7.883 6.382 514 2HD2 ASN 97 2HD2 ASN 97 0.543 -8.752 7.518 515 H ALA 98 H ALA 98 -4.081 -9.163 3.243 516 HA ALA 98 HA ALA 98 -3.126 -6.831 1.994 517 1HB ALA 98 1HB ALA 98 -5.153 -7.274 0.495 518 2HB ALA 98 2HB ALA 98 -3.983 -8.607 0.650 519 3HB ALA 98 3HB ALA 98 -5.513 -8.656 1.558 520 H ARG 99 H ARG 99 -5.926 -7.571 4.115 521 HA ARG 99 HA ARG 99 -7.166 -5.102 3.673 522 2HB ARG 99 2HB ARG 99 -8.469 -5.726 5.772 523 2HG ARG 99 2HG ARG 99 -8.352 -8.290 4.253 524 2HD ARG 99 2HD ARG 99 -10.786 -7.715 3.928 525 HE ARG 99 HE ARG 99 -9.533 -8.086 6.531 526 1HH1 ARG 99 2HH2 ARG 99 -12.615 -7.554 4.918 527 2HH1 ARG 99 1HH2 ARG 99 -13.549 -8.271 6.187 528 1HH2 ARG 99 2HH1 ARG 99 -10.765 -9.032 8.207 529 2HH2 ARG 99 1HH1 ARG 99 -12.491 -9.118 8.071 530 H GLU 100 H GLU 100 -4.837 -6.390 6.101 531 HA GLU 100 HA GLU 100 -4.952 -4.077 7.710 532 2HB GLU 100 2HB GLU 100 -2.856 -5.107 8.750 533 2HG GLU 100 2HG GLU 100 -4.432 -7.466 8.898 534 H PHE 101 H PHE 101 -2.934 -5.219 4.981 535 HA PHE 101 HA PHE 101 -0.896 -3.329 5.236 536 2HB PHE 101 2HB PHE 101 -2.190 -4.863 2.910 537 HD1 PHE 101 1HD PHE 101 -2.059 -3.039 1.261 538 HD2 PHE 101 2HD PHE 101 1.398 -4.424 3.293 539 HE1 PHE 101 1HE PHE 101 -0.605 -1.903 -0.441 540 HE2 PHE 101 2HE PHE 101 2.853 -3.289 1.592 541 HZ PHE 101 HZ PHE 101 1.834 -2.042 -0.255 542 H MET 102 H MET 102 -3.950 -3.320 3.275 543 HA MET 102 HA MET 102 -3.437 -0.823 2.145 544 2HB MET 102 2HB MET 102 -6.097 -0.984 1.878 545 2HG MET 102 2HG MET 102 -5.830 -2.657 0.065 546 1HE MET 102 1HE MET 102 -6.109 0.203 0.236 547 2HE MET 102 2HE MET 102 -5.172 0.985 -1.058 548 3HE MET 102 3HE MET 102 -6.155 -0.453 -1.417 549 H GLY 103 H GLY 103 -4.990 -1.874 5.183 550 1HA GLY 103 1HA GLY 103 -6.125 0.706 5.765 551 2HA GLY 103 2HA GLY 103 -6.053 -0.698 6.811 552 H GLU 104 H GLU 104 -2.988 0.012 5.378 553 HA GLU 104 HA GLU 104 -2.255 1.596 7.709 554 2HB GLU 104 2HB GLU 104 0.000 0.274 7.553 555 2HG GLU 104 2HG GLU 104 -1.794 -1.772 8.520 556 H LEU 105 H LEU 105 -1.896 0.774 4.285 557 HA LEU 105 HA LEU 105 0.137 2.841 3.968 558 2HB LEU 105 2HB LEU 105 -0.446 0.342 2.705 559 HG LEU 105 HG LEU 105 0.075 1.003 0.371 560 1HD1 LEU 105 1HD1 LEU 105 -2.075 0.696 -0.094 561 2HD1 LEU 105 2HD1 LEU 105 -2.411 0.880 1.644 562 3HD1 LEU 105 3HD1 LEU 105 -2.511 2.291 0.565 563 1HD2 LEU 105 1HD2 LEU 105 0.496 3.094 -0.240 564 2HD2 LEU 105 2HD2 LEU 105 -1.046 3.663 0.441 565 3HD2 LEU 105 3HD2 LEU 105 0.399 3.562 1.475 566 H TRP 106 H TRP 106 -3.251 1.995 3.185 567 HA TRP 106 HA TRP 106 -3.717 4.066 1.372 568 2HB TRP 106 2HB TRP 106 -5.768 2.931 3.263 569 HD1 TRP 106 HD TRP 106 -7.960 4.190 2.632 570 HE1 TRP 106 1HE TRP 106 -9.149 5.151 0.481 571 HE3 TRP 106 3HE TRP 106 -4.214 3.021 -0.601 572 HZ2 TRP 106 2HZ TRP 106 -8.405 5.310 -2.270 573 HZ3 TRP 106 3HZ TRP 106 -4.525 3.614 -3.002 574 HH2 TRP 106 HH TRP 106 -6.532 4.720 -3.852 575 HA PRO 107 HA PRO 107 -4.780 6.468 5.341 576 2HB PRO 107 2HB PRO 107 -5.449 5.235 7.167 577 2HG PRO 107 2HG PRO 107 -4.825 3.016 7.112 578 2HD PRO 107 2HD PRO 107 -4.588 2.715 4.845 579 H LEU 108 H LEU 108 -1.697 4.946 5.025 580 HA LEU 108 HA LEU 108 -0.172 6.885 6.300 581 2HB LEU 108 2HB LEU 108 1.113 5.734 3.967 582 HG LEU 108 HG LEU 108 1.782 6.212 6.658 583 1HD1 LEU 108 1HD1 LEU 108 2.697 3.995 7.352 584 2HD1 LEU 108 2HD1 LEU 108 0.920 4.091 7.365 585 3HD1 LEU 108 3HD1 LEU 108 1.757 3.247 6.038 586 1HD2 LEU 108 1HD2 LEU 108 3.655 4.590 5.041 587 2HD2 LEU 108 2HD2 LEU 108 3.058 6.082 4.277 588 3HD2 LEU 108 3HD2 LEU 108 3.885 6.157 5.852 589 H LEU 109 H LEU 109 -1.500 6.695 2.962 590 HA LEU 109 HA LEU 109 -0.149 9.058 2.126 591 2HB LEU 109 2HB LEU 109 -1.307 8.788 0.093 592 HG LEU 109 HG LEU 109 -0.715 6.096 1.319 593 1HD1 LEU 109 1HD1 LEU 109 -0.847 5.411 -1.241 594 2HD1 LEU 109 2HD1 LEU 109 -2.263 5.321 -0.167 595 3HD1 LEU 109 3HD1 LEU 109 -2.070 6.704 -1.271 596 1HD2 LEU 109 1HD2 LEU 109 0.665 7.497 -0.976 597 2HD2 LEU 109 2HD2 LEU 109 1.121 7.743 0.727 598 3HD2 LEU 109 3HD2 LEU 109 1.243 6.125 -0.002 599 H LEU 110 H LEU 110 -3.251 8.257 3.675 600 HA LEU 110 HA LEU 110 -4.637 10.578 3.141 601 2HB LEU 110 2HB LEU 110 -5.526 9.989 5.594 602 HG LEU 110 HG LEU 110 -7.176 9.559 4.099 603 1HD1 LEU 110 1HD1 LEU 110 -5.005 8.404 2.393 604 2HD1 LEU 110 2HD1 LEU 110 -6.698 7.972 2.055 605 3HD1 LEU 110 3HD1 LEU 110 -6.193 9.678 2.031 606 1HD2 LEU 110 1HD2 LEU 110 -6.581 7.434 5.629 607 2HD2 LEU 110 2HD2 LEU 110 -7.970 7.482 4.518 608 3HD2 LEU 110 3HD2 LEU 110 -6.460 6.679 4.022 609 H SER 111 H SER 111 -2.191 9.863 5.695 610 HA SER 111 HA SER 111 -2.464 12.464 6.792 611 2HB SER 111 2HB SER 111 0.037 11.167 7.505 612 HG SER 111 HG SER 111 -1.022 11.085 9.590 613 H ALA 112 H ALA 112 -0.353 10.796 4.435 614 HA ALA 112 HA ALA 112 1.671 12.735 4.338 615 1HB ALA 112 1HB ALA 112 0.709 10.836 2.162 616 2HB ALA 112 2HB ALA 112 2.314 11.596 2.281 617 3HB ALA 112 3HB ALA 112 1.811 10.386 3.486 618 H GLN 113 H GLN 113 -1.391 12.265 2.470 619 HA GLN 113 HA GLN 113 -0.948 14.382 0.739 620 2HB GLN 113 2HB GLN 113 -2.628 12.591 0.366 621 2HG GLN 113 2HG GLN 113 -3.937 13.924 2.761 622 1HE2 GLN 113 1HE2 GLN 113 -4.642 11.347 0.403 623 2HE2 GLN 113 2HE2 GLN 113 -6.307 11.743 0.136 624 H GLU 114 H GLU 114 -1.638 14.328 4.119 625 HA GLU 114 HA GLU 114 -2.939 16.894 4.067 626 2HB GLU 114 2HB GLU 114 -2.910 16.564 6.608 627 2HG GLU 114 2HG GLU 114 -4.225 14.108 5.941 628 H ASN 115 H ASN 115 0.236 15.665 3.982 629 HA ASN 115 HA ASN 115 1.356 17.742 5.606 630 2HB ASN 115 2HB ASN 115 3.327 16.408 3.940 631 1HD2 ASN 115 1HD2 ASN 115 1.745 15.194 6.862 632 2HD2 ASN 115 2HD2 ASN 115 2.994 15.608 7.989 633 H ILE 116 H ILE 116 3.704 18.346 4.039 634 HA ILE 116 HA ILE 116 2.478 19.797 1.801 635 HB ILE 116 HB ILE 116 3.499 20.999 3.852 636 2HG1 ILE 116 2HG1 ILE 116 3.747 22.878 2.563 637 1HG2 ILE 116 1HG2 ILE 116 5.574 19.820 4.051 638 2HG2 ILE 116 2HG2 ILE 116 6.002 20.176 2.361 639 3HG2 ILE 116 3HG2 ILE 116 5.931 21.492 3.556 640 1HD1 ILE 116 1HD1 ILE 116 5.771 22.593 1.395 641 2HD1 ILE 116 2HD1 ILE 116 5.247 21.055 0.668 642 3HD1 ILE 116 3HD1 ILE 116 4.576 22.595 0.075 643 H ALA 117 H ALA 117 5.318 17.878 2.915 644 HA ALA 117 HA ALA 117 6.336 17.778 0.207 645 1HB ALA 117 1HB ALA 117 7.424 17.638 2.806 646 2HB ALA 117 2HB ALA 117 7.620 16.005 2.125 647 3HB ALA 117 3HB ALA 117 8.287 17.415 1.266 648 H GLY 118 H GLY 118 3.710 16.448 1.556 649 1HA GLY 118 1HA GLY 118 2.476 14.624 1.116 650 2HA GLY 118 2HA GLY 118 3.518 14.324 -0.260 651 H ILE 119 H ILE 119 4.475 14.470 3.220 652 HA ILE 119 HA ILE 119 5.191 11.629 2.995 653 HB ILE 119 HB ILE 119 6.721 13.989 3.857 654 2HG1 ILE 119 2HG1 ILE 119 7.375 11.236 2.779 655 1HG2 ILE 119 1HG2 ILE 119 8.028 12.714 5.535 656 2HG2 ILE 119 2HG2 ILE 119 6.360 13.057 6.051 657 3HG2 ILE 119 3HG2 ILE 119 6.797 11.430 5.477 658 1HD1 ILE 119 1HD1 ILE 119 8.219 12.637 0.862 659 2HD1 ILE 119 2HD1 ILE 119 6.462 12.780 1.113 660 3HD1 ILE 119 3HD1 ILE 119 7.550 14.075 1.670 661 HA PRO 120 HA PRO 120 2.509 11.146 6.358 662 2HB PRO 120 2HB PRO 120 2.020 8.984 5.735 663 2HG PRO 120 2HG PRO 120 3.567 8.012 4.328 664 2HD PRO 120 2HD PRO 120 4.496 9.890 3.383 665 H SER 121 H SER 121 2.332 11.254 8.606 666 HA SER 121 HA SER 121 4.564 12.332 9.792 667 2HB SER 121 2HB SER 121 2.116 12.532 10.507 668 HG SER 121 HG SER 121 1.417 10.431 10.790 669 H ALA 122 H ALA 122 3.783 9.038 9.079 670 HA ALA 122 HA ALA 122 4.940 7.712 11.236 671 1HB ALA 122 1HB ALA 122 5.193 6.597 8.469 672 2HB ALA 122 2HB ALA 122 4.590 5.831 9.958 673 3HB ALA 122 3HB ALA 122 3.555 6.967 9.058 674 H PHE 123 H PHE 123 6.319 9.474 8.494 675 HA PHE 123 HA PHE 123 8.961 8.411 9.143 676 2HB PHE 123 2HB PHE 123 9.536 9.508 6.960 677 HD1 PHE 123 1HD PHE 123 7.803 9.280 4.619 678 HD2 PHE 123 2HD PHE 123 7.927 6.905 8.133 679 HE1 PHE 123 1HE PHE 123 6.866 7.335 3.338 680 HE2 PHE 123 2HE PHE 123 6.990 4.961 6.852 681 HZ PHE 123 HZ PHE 123 6.471 5.199 4.469 682 H LEU 124 H LEU 124 7.044 11.455 8.928 683 HA LEU 124 HA LEU 124 9.009 13.295 9.328 684 2HB LEU 124 2HB LEU 124 7.267 14.695 10.327 685 HG LEU 124 HG LEU 124 6.159 13.017 8.058 686 1HD1 LEU 124 1HD1 LEU 124 4.975 15.125 9.615 687 2HD1 LEU 124 2HD1 LEU 124 5.200 15.667 7.935 688 3HD1 LEU 124 3HD1 LEU 124 4.284 14.179 8.275 689 1HD2 LEU 124 1HD2 LEU 124 6.962 14.938 6.646 690 2HD2 LEU 124 2HD2 LEU 124 7.869 15.513 8.066 691 3HD2 LEU 124 3HD2 LEU 124 8.242 13.925 7.354 692 H GLU 125 H GLU 125 6.993 11.882 12.008 693 HA GLU 125 HA GLU 125 8.345 12.867 14.078 694 2HB GLU 125 2HB GLU 125 7.256 10.027 13.829 695 2HG GLU 125 2HG GLU 125 8.739 10.595 15.880 696 H LEU 126 H LEU 126 9.131 9.711 12.443 697 HA LEU 126 HA LEU 126 11.292 8.987 13.909 698 2HB LEU 126 2HB LEU 126 12.064 8.231 11.423 699 HG LEU 126 HG LEU 126 9.770 6.994 12.970 700 1HD1 LEU 126 1HD1 LEU 126 9.504 5.748 11.132 701 2HD1 LEU 126 2HD1 LEU 126 11.053 6.275 10.431 702 3HD1 LEU 126 3HD1 LEU 126 11.019 4.955 11.624 703 1HD2 LEU 126 1HD2 LEU 126 12.762 6.586 13.098 704 2HD2 LEU 126 2HD2 LEU 126 11.648 7.056 14.405 705 3HD2 LEU 126 3HD2 LEU 126 11.590 5.408 13.735 706 H LYS 127 H LYS 127 11.051 11.556 11.437 707 HA LYS 127 HA LYS 127 12.417 13.201 10.896 708 2HB LYS 127 2HB LYS 127 14.381 13.585 12.662 709 2HG LYS 127 2HG LYS 127 12.724 14.842 14.053 710 2HD LYS 127 2HD LYS 127 11.558 15.293 11.366 711 2HE LYS 127 2HE LYS 127 13.340 17.371 12.165 712 1HZ LYS 127 1HZ LYS 127 11.397 18.143 11.424 713 2HZ LYS 127 2HZ LYS 127 10.510 16.905 12.014 714 3HZ LYS 127 3HZ LYS 127 10.958 18.130 12.996 715 H LYS 128 H LYS 128 12.752 10.796 9.565 716 HA LYS 128 HA LYS 128 15.597 10.956 8.969 717 2HB LYS 128 2HB LYS 128 15.124 8.246 8.740 718 2HG LYS 128 2HG LYS 128 16.544 10.062 10.663 719 2HD LYS 128 2HD LYS 128 15.653 7.279 11.306 720 2HE LYS 128 2HE LYS 128 18.323 7.487 10.763 721 1HZ LYS 128 1HZ LYS 128 18.522 9.195 12.494 722 2HZ LYS 128 2HZ LYS 128 18.049 8.111 13.618 723 3HZ LYS 128 3HZ LYS 128 19.441 7.879 12.796 724 H GLU 129 H GLU 129 14.546 12.289 7.241 725 HA GLU 129 HA GLU 129 12.826 10.952 5.442 726 2HB GLU 129 2HB GLU 129 14.348 13.374 4.550 727 2HG GLU 129 2HG GLU 129 11.351 12.859 4.775 728 H GLU 130 H GLU 130 16.068 12.466 4.777 729 HA GLU 130 HA GLU 130 17.649 11.926 3.385 730 2HB GLU 130 2HB GLU 130 17.001 9.051 4.173 731 2HG GLU 130 2HG GLU 130 18.956 10.116 2.394 732 H ILE 131 H ILE 131 16.284 12.706 1.567 733 HA ILE 131 HA ILE 131 15.731 10.498 -0.272 734 HB ILE 131 HB ILE 131 13.925 12.868 0.220 735 2HG1 ILE 131 2HG1 ILE 131 12.380 11.404 1.216 736 1HG2 ILE 131 1HG2 ILE 131 14.074 10.828 -1.948 737 2HG2 ILE 131 2HG2 ILE 131 12.463 11.293 -1.351 738 3HG2 ILE 131 3HG2 ILE 131 13.562 12.533 -2.001 739 1HD1 ILE 131 1HD1 ILE 131 14.198 9.043 0.588 740 2HD1 ILE 131 2HD1 ILE 131 12.539 9.003 1.231 741 3HD1 ILE 131 3HD1 ILE 131 12.829 9.503 -0.452 742 H LYS 132 H LYS 132 16.916 10.722 -2.087 743 HA LYS 132 HA LYS 132 18.711 12.654 -2.565 744 2HB LYS 132 2HB LYS 132 17.160 11.376 -4.820 745 2HG LYS 132 2HG LYS 132 19.187 13.018 -5.111 746 2HD LYS 132 2HD LYS 132 20.793 10.508 -4.558 747 2HE LYS 132 2HE LYS 132 22.010 13.102 -3.975 748 1HZ LYS 132 1HZ LYS 132 23.445 12.210 -5.821 749 2HZ LYS 132 2HZ LYS 132 23.353 11.301 -4.469 750 3HZ LYS 132 3HZ LYS 132 22.510 10.871 -5.800 751 H GLN 133 H GLN 133 15.589 12.613 -4.421 752 HA GLN 133 HA GLN 133 14.212 14.228 -4.937 753 2HB GLN 133 2HB GLN 133 15.797 16.269 -3.343 754 2HG GLN 133 2HG GLN 133 13.176 16.737 -2.838 755 1HE2 GLN 133 1HE2 GLN 133 12.597 17.531 -5.780 756 2HE2 GLN 133 2HE2 GLN 133 13.540 18.962 -6.028 757 H ARG 134 H ARG 134 14.133 15.279 -6.903 758 HA ARG 134 HA ARG 134 16.643 15.778 -8.142 759 2HB ARG 134 2HB ARG 134 13.880 16.390 -9.287 760 2HG ARG 134 2HG ARG 134 16.486 15.448 -10.577 761 2HD ARG 134 2HD ARG 134 14.884 16.538 -12.552 762 HE ARG 134 HE ARG 134 14.549 13.653 -12.097 763 1HH1 ARG 134 2HH2 ARG 134 16.716 16.186 -13.221 764 2HH1 ARG 134 1HH2 ARG 134 17.679 15.115 -14.181 765 1HH2 ARG 134 2HH1 ARG 134 15.819 12.237 -13.362 766 2HH2 ARG 134 1HH1 ARG 134 17.165 12.852 -14.262 Start of MODEL 14 1 1H SER 24 H SER 24 -10.423 -12.109 -13.887 2 HA SER 24 HA SER 24 -8.317 -10.675 -14.891 3 2HB SER 24 2HB SER 24 -8.647 -9.579 -12.391 4 HG SER 24 HG SER 24 -10.834 -8.835 -13.720 5 H HIS 25 H HIS 25 -8.565 -12.320 -11.646 6 HA HIS 25 HA HIS 25 -6.127 -13.545 -11.733 7 2HB HIS 25 2HB HIS 25 -5.541 -11.307 -9.934 8 HD1 HIS 25 1HD HIS 25 -4.423 -13.325 -12.984 9 HD2 HIS 25 2HD HIS 25 -2.801 -11.328 -9.671 10 HE1 HIS 25 1HE HIS 25 -1.929 -13.862 -12.978 11 H MET 26 H MET 26 -8.597 -11.780 -9.862 12 HA MET 26 HA MET 26 -9.048 -14.039 -8.271 13 2HB MET 26 2HB MET 26 -7.345 -13.566 -6.752 14 2HG MET 26 2HG MET 26 -6.984 -10.807 -6.469 15 1HE MET 26 1HE MET 26 -4.327 -10.342 -6.385 16 2HE MET 26 2HE MET 26 -3.424 -10.731 -7.870 17 3HE MET 26 3HE MET 26 -4.938 -9.799 -7.966 18 H GLN 27 H GLN 27 -9.221 -10.703 -6.974 19 HA GLN 27 HA GLN 27 -10.874 -9.236 -6.959 20 2HB GLN 27 2HB GLN 27 -12.875 -9.424 -8.240 21 2HG GLN 27 2HG GLN 27 -11.504 -11.267 -10.065 22 1HE2 GLN 27 1HE2 GLN 27 -11.208 -7.798 -9.346 23 2HE2 GLN 27 2HE2 GLN 27 -12.043 -7.208 -10.743 24 H LEU 28 H LEU 28 -11.933 -8.786 -5.058 25 HA LEU 28 HA LEU 28 -13.741 -10.616 -3.884 26 2HB LEU 28 2HB LEU 28 -11.993 -11.917 -3.129 27 HG LEU 28 HG LEU 28 -9.989 -11.097 -1.947 28 1HD1 LEU 28 1HD1 LEU 28 -8.703 -10.794 -3.847 29 2HD1 LEU 28 2HD1 LEU 28 -10.161 -11.584 -4.495 30 3HD1 LEU 28 3HD1 LEU 28 -9.949 -9.825 -4.669 31 1HD2 LEU 28 1HD2 LEU 28 -9.539 -8.947 -1.482 32 2HD2 LEU 28 2HD2 LEU 28 -10.163 -8.366 -3.045 33 3HD2 LEU 28 3HD2 LEU 28 -11.289 -8.718 -1.712 34 H LYS 29 H LYS 29 -13.842 -9.700 -1.289 35 HA LYS 29 HA LYS 29 -14.638 -6.966 -1.758 36 2HB LYS 29 2HB LYS 29 -14.981 -8.816 0.619 37 2HG LYS 29 2HG LYS 29 -15.990 -5.996 0.041 38 2HD LYS 29 2HD LYS 29 -16.959 -8.033 2.102 39 2HE LYS 29 2HE LYS 29 -17.428 -5.037 1.810 40 1HZ LYS 29 1HZ LYS 29 -18.976 -6.940 3.425 41 2HZ LYS 29 2HZ LYS 29 -19.198 -5.324 3.342 42 3HZ LYS 29 3HZ LYS 29 -19.518 -6.260 2.043 43 H PHE 30 H PHE 30 -13.898 -5.149 -0.514 44 HA PHE 30 HA PHE 30 -11.237 -5.621 0.636 45 2HB PHE 30 2HB PHE 30 -10.664 -4.060 -0.980 46 HD1 PHE 30 1HD PHE 30 -11.319 -4.473 -3.166 47 HD2 PHE 30 2HD PHE 30 -14.120 -2.753 -0.480 48 HE1 PHE 30 1HE PHE 30 -12.938 -4.153 -5.057 49 HE2 PHE 30 2HE PHE 30 -15.737 -2.433 -2.372 50 HZ PHE 30 HZ PHE 30 -15.128 -3.137 -4.638 51 H ALA 31 H ALA 31 -10.699 -3.382 2.001 52 HA ALA 31 HA ALA 31 -12.504 -3.555 4.207 53 1HB ALA 31 1HB ALA 31 -10.455 -1.413 4.157 54 2HB ALA 31 2HB ALA 31 -10.756 -2.681 5.369 55 3HB ALA 31 3HB ALA 31 -9.828 -3.058 3.898 56 H GLU 32 H GLU 32 -12.650 -0.982 5.230 57 HA GLU 32 HA GLU 32 -14.398 0.235 3.250 58 2HB GLU 32 2HB GLU 32 -15.429 -0.447 5.415 59 2HG GLU 32 2HG GLU 32 -13.800 1.779 6.698 60 H CYS 33 H CYS 33 -11.778 0.917 5.637 61 HA CYS 33 HA CYS 33 -11.610 3.621 5.355 62 2HB CYS 33 2HB CYS 33 -9.183 3.339 5.941 63 HG CYS 33 HG CYS 33 -11.270 1.300 7.508 64 H LEU 34 H LEU 34 -10.920 1.046 3.066 65 HA LEU 34 HA LEU 34 -9.070 2.366 1.438 66 2HB LEU 34 2HB LEU 34 -9.609 0.703 -0.201 67 HG LEU 34 HG LEU 34 -10.165 -0.972 2.187 68 1HD1 LEU 34 1HD1 LEU 34 -8.734 -2.485 1.181 69 2HD1 LEU 34 2HD1 LEU 34 -9.469 -1.671 -0.221 70 3HD1 LEU 34 3HD1 LEU 34 -7.831 -1.221 0.311 71 1HD2 LEU 34 1HD2 LEU 34 -7.668 -0.684 2.822 72 2HD2 LEU 34 2HD2 LEU 34 -7.815 0.897 2.018 73 3HD2 LEU 34 3HD2 LEU 34 -8.857 0.505 3.408 74 H GLU 35 H GLU 35 -12.354 3.068 2.152 75 HA GLU 35 HA GLU 35 -12.789 4.303 -0.418 76 2HB GLU 35 2HB GLU 35 -15.072 4.642 0.324 77 2HG GLU 35 2HG GLU 35 -14.633 2.034 1.700 78 H LYS 36 H LYS 36 -10.657 5.246 1.487 79 HA LYS 36 HA LYS 36 -11.747 7.831 2.291 80 2HB LYS 36 2HB LYS 36 -9.390 7.992 3.356 81 2HG LYS 36 2HG LYS 36 -10.408 5.902 4.948 82 2HD LYS 36 2HD LYS 36 -11.792 8.402 5.481 83 2HE LYS 36 2HE LYS 36 -9.313 7.135 6.744 84 1HZ LYS 36 1HZ LYS 36 -9.406 8.930 7.994 85 2HZ LYS 36 2HZ LYS 36 -10.774 9.477 7.290 86 3HZ LYS 36 3HZ LYS 36 -10.862 8.450 8.555 87 H LYS 37 H LYS 37 -10.315 6.337 -0.382 88 HA LYS 37 HA LYS 37 -9.226 7.060 -2.169 89 2HB LYS 37 2HB LYS 37 -9.824 9.410 -2.916 90 2HG LYS 37 2HG LYS 37 -11.364 7.056 -2.774 91 2HD LYS 37 2HD LYS 37 -12.640 9.161 -1.214 92 2HE LYS 37 2HE LYS 37 -14.385 8.094 -3.458 93 1HZ LYS 37 1HZ LYS 37 -15.800 9.750 -2.715 94 2HZ LYS 37 2HZ LYS 37 -15.209 9.118 -1.329 95 3HZ LYS 37 3HZ LYS 37 -14.641 10.546 -1.883 96 H VAL 38 H VAL 38 -7.621 8.885 -3.041 97 HA VAL 38 HA VAL 38 -6.083 10.082 -0.915 98 HB VAL 38 HB VAL 38 -4.050 8.926 -1.373 99 1HG1 VAL 38 1HG1 VAL 38 -4.564 6.687 -0.563 100 2HG1 VAL 38 2HG1 VAL 38 -5.607 7.882 0.247 101 3HG1 VAL 38 3HG1 VAL 38 -6.263 6.868 -1.062 102 1HG2 VAL 38 1HG2 VAL 38 -5.422 7.059 -3.306 103 2HG2 VAL 38 2HG2 VAL 38 -4.682 8.579 -3.861 104 3HG2 VAL 38 3HG2 VAL 38 -3.683 7.344 -3.057 105 H ASP 39 H ASP 39 -3.726 10.469 -2.577 106 HA ASP 39 HA ASP 39 -4.470 11.399 -5.094 107 2HB ASP 39 2HB ASP 39 -3.764 13.735 -3.338 108 H MET 40 H MET 40 -2.465 10.404 -5.702 109 HA MET 40 HA MET 40 -0.120 10.686 -4.260 110 2HB MET 40 2HB MET 40 0.937 9.814 -6.381 111 2HG MET 40 2HG MET 40 -0.750 7.861 -6.757 112 1HE MET 40 1HE MET 40 -0.702 7.838 -2.453 113 2HE MET 40 2HE MET 40 0.382 9.224 -2.720 114 3HE MET 40 3HE MET 40 -1.233 9.200 -3.468 115 H SER 41 H SER 41 -1.736 12.819 -6.548 116 HA SER 41 HA SER 41 0.571 14.234 -7.311 117 2HB SER 41 2HB SER 41 -2.088 15.610 -7.329 118 HG SER 41 HG SER 41 -1.240 16.475 -9.100 119 H LYS 42 H LYS 42 -1.002 13.946 -4.341 120 HA LYS 42 HA LYS 42 -0.146 16.643 -3.546 121 2HB LYS 42 2HB LYS 42 -1.940 16.815 -2.070 122 2HG LYS 42 2HG LYS 42 -3.988 16.052 -3.390 123 2HD LYS 42 2HD LYS 42 -2.931 17.241 -5.628 124 2HE LYS 42 2HE LYS 42 -3.734 18.491 -2.964 125 1HZ LYS 42 1HZ LYS 42 -3.211 19.744 -5.566 126 2HZ LYS 42 2HZ LYS 42 -4.078 20.463 -4.384 127 3HZ LYS 42 3HZ LYS 42 -2.505 20.102 -4.137 128 H VAL 43 H VAL 43 -0.282 13.138 -2.795 129 HA VAL 43 HA VAL 43 1.708 13.630 -0.692 130 HB VAL 43 HB VAL 43 0.175 12.508 0.488 131 1HG1 VAL 43 1HG1 VAL 43 -1.617 11.111 -0.442 132 2HG1 VAL 43 2HG1 VAL 43 -1.533 12.685 -1.267 133 3HG1 VAL 43 3HG1 VAL 43 -0.880 11.230 -2.058 134 1HG2 VAL 43 1HG2 VAL 43 1.147 10.103 -1.088 135 2HG2 VAL 43 2HG2 VAL 43 2.078 10.908 0.197 136 3HG2 VAL 43 3HG2 VAL 43 0.526 10.125 0.580 137 H ASN 44 H ASN 44 3.581 12.227 -0.608 138 HA ASN 44 HA ASN 44 4.406 11.525 -3.253 139 2HB ASN 44 2HB ASN 44 6.474 10.739 -1.584 140 1HD2 ASN 44 1HD2 ASN 44 8.172 12.454 -1.344 141 2HD2 ASN 44 2HD2 ASN 44 8.263 13.683 -2.560 142 H LEU 45 H LEU 45 4.483 9.392 -4.035 143 HA LEU 45 HA LEU 45 3.585 7.317 -2.204 144 2HB LEU 45 2HB LEU 45 2.858 7.946 -4.740 145 HG LEU 45 HG LEU 45 3.491 6.188 -6.242 146 1HD1 LEU 45 1HD1 LEU 45 6.247 6.852 -5.686 147 2HD1 LEU 45 2HD1 LEU 45 5.189 7.389 -7.014 148 3HD1 LEU 45 3HD1 LEU 45 5.197 8.274 -5.470 149 1HD2 LEU 45 1HD2 LEU 45 4.094 4.684 -4.088 150 2HD2 LEU 45 2HD2 LEU 45 4.643 4.313 -5.740 151 3HD2 LEU 45 3HD2 LEU 45 5.732 5.148 -4.606 152 H GLU 46 H GLU 46 6.443 8.488 -3.914 153 HA GLU 46 HA GLU 46 7.889 6.154 -3.989 154 2HB GLU 46 2HB GLU 46 9.690 8.304 -3.420 155 2HG GLU 46 2HG GLU 46 9.519 8.223 -6.159 156 H VAL 47 H VAL 47 7.305 8.485 -1.331 157 HA VAL 47 HA VAL 47 9.265 7.404 0.399 158 HB VAL 47 HB VAL 47 8.010 8.695 2.116 159 1HG1 VAL 47 1HG1 VAL 47 8.245 10.625 -0.120 160 2HG1 VAL 47 2HG1 VAL 47 9.038 10.607 1.474 161 3HG1 VAL 47 3HG1 VAL 47 9.666 9.589 0.155 162 1HG2 VAL 47 1HG2 VAL 47 6.309 10.223 0.403 163 2HG2 VAL 47 2HG2 VAL 47 5.903 8.502 0.196 164 3HG2 VAL 47 3HG2 VAL 47 5.869 9.237 1.818 165 H ILE 48 H ILE 48 6.449 6.067 -0.884 166 HA ILE 48 HA ILE 48 6.038 4.434 1.521 167 HB ILE 48 HB ILE 48 4.050 4.396 -0.668 168 2HG1 ILE 48 2HG1 ILE 48 3.037 6.482 -0.151 169 1HG2 ILE 48 1HG2 ILE 48 3.970 3.144 1.560 170 2HG2 ILE 48 2HG2 ILE 48 3.610 4.723 2.298 171 3HG2 ILE 48 3HG2 ILE 48 2.516 4.045 1.069 172 1HD1 ILE 48 1HD1 ILE 48 5.147 6.649 2.040 173 2HD1 ILE 48 2HD1 ILE 48 4.247 8.073 1.463 174 3HD1 ILE 48 3HD1 ILE 48 3.378 6.715 2.218 175 H LYS 49 H LYS 49 7.547 4.547 -1.508 176 HA LYS 49 HA LYS 49 6.986 2.056 -2.582 177 2HB LYS 49 2HB LYS 49 9.755 2.846 -2.962 178 2HG LYS 49 2HG LYS 49 8.611 1.607 -4.676 179 2HD LYS 49 2HD LYS 49 6.579 3.221 -5.704 180 2HE LYS 49 2HE LYS 49 6.738 0.711 -4.073 181 1HZ LYS 49 1HZ LYS 49 4.129 1.849 -4.720 182 2HZ LYS 49 2HZ LYS 49 4.483 0.610 -3.718 183 3HZ LYS 49 3HZ LYS 49 4.820 2.143 -3.271 184 HA PRO 50 HA PRO 50 10.426 0.451 0.245 185 2HB PRO 50 2HB PRO 50 12.124 1.912 0.777 186 2HG PRO 50 2HG PRO 50 11.583 4.143 0.547 187 2HD PRO 50 2HD PRO 50 9.881 3.993 -0.991 188 H TRP 51 H TRP 51 7.905 2.369 1.621 189 HA TRP 51 HA TRP 51 7.680 0.763 3.963 190 2HB TRP 51 2HB TRP 51 5.705 2.684 2.717 191 HD1 TRP 51 HD TRP 51 6.425 2.952 6.395 192 HE1 TRP 51 1HE TRP 51 4.418 2.114 7.889 193 HE3 TRP 51 3HE TRP 51 3.838 0.753 2.609 194 HZ2 TRP 51 2HZ TRP 51 2.027 0.658 7.333 195 HZ3 TRP 51 3HZ TRP 51 1.676 -0.355 3.170 196 HH2 TRP 51 HH TRP 51 0.765 -0.425 5.437 197 H ILE 52 H ILE 52 6.117 0.956 0.713 198 HA ILE 52 HA ILE 52 4.270 -1.131 1.302 199 HB ILE 52 HB ILE 52 4.993 0.571 -1.015 200 2HG1 ILE 52 2HG1 ILE 52 2.919 0.414 0.874 201 1HG2 ILE 52 1HG2 ILE 52 3.579 -0.812 -2.532 202 2HG2 ILE 52 2HG2 ILE 52 5.131 -1.566 -2.096 203 3HG2 ILE 52 3HG2 ILE 52 3.627 -2.115 -1.320 204 1HD1 ILE 52 1HD1 ILE 52 2.058 2.365 -0.329 205 2HD1 ILE 52 2HD1 ILE 52 3.835 2.444 -0.304 206 3HD1 ILE 52 3HD1 ILE 52 2.988 1.922 -1.780 207 H THR 53 H THR 53 7.325 -0.872 -0.635 208 HA THR 53 HA THR 53 7.402 -3.549 -1.413 209 HB THR 53 HB THR 53 9.615 -1.489 -0.919 210 HG1 THR 53 1HG THR 53 7.681 -1.188 -2.468 211 1HG2 THR 53 1HG2 THR 53 9.578 -4.238 -2.162 212 2HG2 THR 53 2HG2 THR 53 10.480 -2.964 -3.017 213 3HG2 THR 53 3HG2 THR 53 10.913 -3.390 -1.345 214 H LYS 54 H LYS 54 8.453 -1.941 1.606 215 HA LYS 54 HA LYS 54 9.764 -4.285 2.562 216 2HB LYS 54 2HB LYS 54 8.896 -1.746 3.976 217 2HG LYS 54 2HG LYS 54 11.150 -3.512 4.896 218 2HD LYS 54 2HD LYS 54 9.790 -1.203 5.838 219 2HE LYS 54 2HE LYS 54 9.350 -2.405 8.236 220 1HZ LYS 54 1HZ LYS 54 7.680 -1.113 7.410 221 2HZ LYS 54 2HZ LYS 54 7.577 -1.901 5.983 222 3HZ LYS 54 3HZ LYS 54 6.970 -2.581 7.338 223 H ARG 55 H ARG 55 6.532 -2.751 2.944 224 HA ARG 55 HA ARG 55 5.673 -4.444 4.952 225 2HB ARG 55 2HB ARG 55 3.345 -3.802 3.600 226 2HG ARG 55 2HG ARG 55 3.372 -1.674 4.981 227 2HD ARG 55 2HD ARG 55 4.392 -3.387 7.056 228 HE ARG 55 HE ARG 55 2.065 -1.991 6.604 229 1HH1 ARG 55 2HH2 ARG 55 2.705 -5.351 7.433 230 2HH1 ARG 55 1HH2 ARG 55 1.213 -5.558 8.287 231 1HH2 ARG 55 2HH1 ARG 55 0.096 -2.263 7.730 232 2HH2 ARG 55 1HH1 ARG 55 -0.282 -3.790 8.458 233 H VAL 56 H VAL 56 5.246 -4.561 1.345 234 HA VAL 56 HA VAL 56 3.752 -6.921 1.310 235 HB VAL 56 HB VAL 56 4.457 -6.996 -1.072 236 1HG1 VAL 56 1HG1 VAL 56 3.371 -4.871 -1.713 237 2HG1 VAL 56 2HG1 VAL 56 2.504 -5.696 -0.396 238 3HG1 VAL 56 3HG1 VAL 56 3.537 -4.292 -0.038 239 1HG2 VAL 56 1HG2 VAL 56 5.680 -4.630 -1.620 240 2HG2 VAL 56 2HG2 VAL 56 6.454 -5.048 -0.073 241 3HG2 VAL 56 3HG2 VAL 56 6.535 -6.181 -1.444 242 H THR 57 H THR 57 7.290 -6.264 1.252 243 HA THR 57 HA THR 57 8.017 -8.965 0.790 244 HB THR 57 HB THR 57 9.519 -6.564 1.959 245 HG1 THR 57 1HG THR 57 8.786 -6.245 -0.216 246 1HG2 THR 57 1HG2 THR 57 11.524 -7.737 1.646 247 2HG2 THR 57 2HG2 THR 57 10.472 -9.086 2.138 248 3HG2 THR 57 3HG2 THR 57 10.816 -8.809 0.413 249 H GLU 58 H GLU 58 7.528 -6.980 3.750 250 HA GLU 58 HA GLU 58 8.445 -9.048 5.429 251 2HB GLU 58 2HB GLU 58 7.024 -7.500 7.127 252 2HG GLU 58 2HG GLU 58 9.355 -6.009 6.068 253 H ILE 59 H ILE 59 5.366 -8.196 3.912 254 HA ILE 59 HA ILE 59 3.615 -9.473 5.637 255 HB ILE 59 HB ILE 59 3.611 -8.710 2.756 256 2HG1 ILE 59 2HG1 ILE 59 3.087 -7.251 4.883 257 1HG2 ILE 59 1HG2 ILE 59 2.527 -10.869 2.680 258 2HG2 ILE 59 2HG2 ILE 59 1.486 -10.433 4.056 259 3HG2 ILE 59 3HG2 ILE 59 1.312 -9.581 2.503 260 1HD1 ILE 59 1HD1 ILE 59 0.963 -6.430 3.301 261 2HD1 ILE 59 2HD1 ILE 59 2.663 -5.969 3.044 262 3HD1 ILE 59 3HD1 ILE 59 1.966 -7.337 2.144 263 H LEU 60 H LEU 60 5.503 -10.747 2.827 264 HA LEU 60 HA LEU 60 4.648 -13.433 3.607 265 2HB LEU 60 2HB LEU 60 4.479 -13.795 1.448 266 HG LEU 60 HG LEU 60 4.365 -11.139 1.337 267 1HD1 LEU 60 1HD1 LEU 60 6.906 -11.781 -0.185 268 2HD1 LEU 60 2HD1 LEU 60 6.010 -10.245 -0.268 269 3HD1 LEU 60 3HD1 LEU 60 6.757 -10.757 1.264 270 1HD2 LEU 60 1HD2 LEU 60 3.739 -11.313 -0.949 271 2HD2 LEU 60 2HD2 LEU 60 4.764 -12.749 -1.193 272 3HD2 LEU 60 3HD2 LEU 60 3.308 -12.857 -0.173 273 H GLY 61 H GLY 61 7.567 -11.412 2.923 274 1HA GLY 61 1HA GLY 61 9.291 -11.734 4.708 275 2HA GLY 61 2HA GLY 61 9.169 -13.446 4.354 276 H PHE 62 H PHE 62 8.581 -12.322 1.376 277 HA PHE 62 HA PHE 62 11.412 -11.888 0.742 278 2HB PHE 62 2HB PHE 62 10.940 -14.154 0.069 279 HD1 PHE 62 1HD PHE 62 9.113 -15.251 1.163 280 HD2 PHE 62 2HD PHE 62 8.400 -12.767 -2.203 281 HE1 PHE 62 1HE PHE 62 6.780 -16.162 0.985 282 HE2 PHE 62 2HE PHE 62 6.067 -13.678 -2.380 283 HZ PHE 62 HZ PHE 62 5.285 -15.364 -0.784 284 H GLU 63 H GLU 63 11.808 -10.679 -1.259 285 HA GLU 63 HA GLU 63 9.931 -8.594 -1.531 286 2HB GLU 63 2HB GLU 63 12.249 -9.096 -3.424 287 2HG GLU 63 2HG GLU 63 11.639 -6.454 -2.146 288 H ASP 64 H ASP 64 8.019 -8.868 -2.605 289 HA ASP 64 HA ASP 64 7.707 -10.889 -4.517 290 2HB ASP 64 2HB ASP 64 5.451 -10.087 -4.715 291 H ASP 65 H ASP 65 5.969 -9.156 -6.342 292 HA ASP 65 HA ASP 65 7.663 -7.217 -7.472 293 2HB ASP 65 2HB ASP 65 7.236 -9.088 -9.645 294 H VAL 66 H VAL 66 5.124 -9.726 -8.200 295 HA VAL 66 HA VAL 66 3.679 -8.119 -9.994 296 HB VAL 66 HB VAL 66 3.708 -10.726 -9.302 297 1HG1 VAL 66 1HG1 VAL 66 1.514 -11.310 -8.319 298 2HG1 VAL 66 2HG1 VAL 66 2.542 -10.397 -7.187 299 3HG1 VAL 66 3HG1 VAL 66 1.200 -9.582 -8.026 300 1HG2 VAL 66 1HG2 VAL 66 1.110 -9.897 -10.438 301 2HG2 VAL 66 2HG2 VAL 66 2.534 -9.187 -11.233 302 3HG2 VAL 66 3HG2 VAL 66 2.374 -10.955 -11.108 303 H VAL 67 H VAL 67 3.484 -8.675 -6.439 304 HA VAL 67 HA VAL 67 1.138 -7.104 -6.144 305 HB VAL 67 HB VAL 67 1.251 -7.696 -3.962 306 1HG1 VAL 67 1HG1 VAL 67 1.932 -9.928 -3.768 307 2HG1 VAL 67 2HG1 VAL 67 1.682 -9.719 -5.518 308 3HG1 VAL 67 3HG1 VAL 67 3.330 -9.697 -4.845 309 1HG2 VAL 67 1HG2 VAL 67 3.416 -8.026 -2.700 310 2HG2 VAL 67 2HG2 VAL 67 4.264 -7.418 -4.142 311 3HG2 VAL 67 3HG2 VAL 67 3.115 -6.369 -3.277 312 H ILE 68 H ILE 68 4.685 -6.538 -5.815 313 HA ILE 68 HA ILE 68 4.466 -3.943 -4.802 314 HB ILE 68 HB ILE 68 6.664 -5.221 -6.431 315 2HG1 ILE 68 2HG1 ILE 68 5.900 -6.412 -4.309 316 1HG2 ILE 68 1HG2 ILE 68 8.136 -3.557 -5.439 317 2HG2 ILE 68 2HG2 ILE 68 6.836 -2.772 -6.368 318 3HG2 ILE 68 3HG2 ILE 68 6.758 -2.816 -4.590 319 1HD1 ILE 68 1HD1 ILE 68 8.710 -5.436 -3.892 320 2HD1 ILE 68 2HD1 ILE 68 8.077 -7.099 -3.908 321 3HD1 ILE 68 3HD1 ILE 68 8.341 -6.233 -5.441 322 H GLU 69 H GLU 69 4.806 -5.194 -8.184 323 HA GLU 69 HA GLU 69 4.909 -2.738 -9.398 324 2HB GLU 69 2HB GLU 69 3.523 -4.401 -11.192 325 2HG GLU 69 2HG GLU 69 6.458 -4.843 -10.983 326 H PHE 70 H PHE 70 2.089 -4.731 -8.375 327 HA PHE 70 HA PHE 70 0.103 -3.275 -9.624 328 2HB PHE 70 2HB PHE 70 -1.000 -4.112 -7.217 329 HD1 PHE 70 1HD PHE 70 -1.940 -4.116 -9.911 330 HD2 PHE 70 2HD PHE 70 0.023 -7.233 -7.804 331 HE1 PHE 70 1HE PHE 70 -3.026 -5.813 -11.410 332 HE2 PHE 70 2HE PHE 70 -1.062 -8.929 -9.304 333 HZ PHE 70 HZ PHE 70 -2.573 -8.199 -11.088 334 H ILE 71 H ILE 71 1.627 -2.825 -6.368 335 HA ILE 71 HA ILE 71 -0.036 -0.613 -5.732 336 HB ILE 71 HB ILE 71 2.544 -1.622 -4.532 337 2HG1 ILE 71 2HG1 ILE 71 -0.083 -2.689 -4.502 338 1HG2 ILE 71 1HG2 ILE 71 2.545 0.481 -3.665 339 2HG2 ILE 71 2HG2 ILE 71 0.787 0.686 -3.850 340 3HG2 ILE 71 3HG2 ILE 71 1.433 -0.293 -2.511 341 1HD1 ILE 71 1HD1 ILE 71 2.524 -3.494 -3.962 342 2HD1 ILE 71 2HD1 ILE 71 1.756 -3.559 -2.357 343 3HD1 ILE 71 3HD1 ILE 71 1.069 -4.489 -3.712 344 H PHE 72 H PHE 72 3.329 -1.026 -6.984 345 HA PHE 72 HA PHE 72 3.974 1.680 -6.978 346 2HB PHE 72 2HB PHE 72 4.942 -0.118 -9.195 347 HD1 PHE 72 1HD PHE 72 5.392 2.803 -8.535 348 HD2 PHE 72 2HD PHE 72 7.490 -0.703 -7.386 349 HE1 PHE 72 1HE PHE 72 7.492 4.150 -8.256 350 HE2 PHE 72 2HE PHE 72 9.589 0.644 -7.108 351 HZ PHE 72 HZ PHE 72 9.565 3.055 -7.546 352 H ASN 73 H ASN 73 2.582 -0.431 -9.580 353 HA ASN 73 HA ASN 73 2.544 1.566 -11.496 354 2HB ASN 73 2HB ASN 73 0.557 0.012 -12.395 355 1HD2 ASN 73 1HD2 ASN 73 3.445 -1.442 -10.920 356 2HD2 ASN 73 2HD2 ASN 73 4.315 -1.750 -12.387 357 H GLN 74 H GLN 74 0.266 0.525 -8.919 358 HA GLN 74 HA GLN 74 -1.870 2.109 -9.859 359 2HB GLN 74 2HB GLN 74 -2.612 1.659 -7.329 360 2HG GLN 74 2HG GLN 74 -3.810 0.527 -9.038 361 1HE2 GLN 74 1HE2 GLN 74 -2.397 -2.373 -9.193 362 2HE2 GLN 74 2HE2 GLN 74 -1.581 -2.301 -10.719 363 H LEU 75 H LEU 75 0.804 2.519 -7.503 364 HA LEU 75 HA LEU 75 -0.227 5.028 -6.568 365 2HB LEU 75 2HB LEU 75 2.037 5.097 -5.427 366 HG LEU 75 HG LEU 75 0.621 2.501 -4.827 367 1HD1 LEU 75 1HD1 LEU 75 2.765 3.172 -3.650 368 2HD1 LEU 75 2HD1 LEU 75 1.838 4.503 -2.917 369 3HD1 LEU 75 3HD1 LEU 75 1.369 2.813 -2.607 370 1HD2 LEU 75 1HD2 LEU 75 -1.245 3.859 -4.946 371 2HD2 LEU 75 2HD2 LEU 75 -0.771 4.024 -3.240 372 3HD2 LEU 75 3HD2 LEU 75 -0.362 5.307 -4.405 373 H GLU 76 H GLU 76 1.136 4.023 -9.458 374 HA GLU 76 HA GLU 76 2.870 6.261 -9.803 375 2HB GLU 76 2HB GLU 76 2.628 5.268 -12.310 376 2HG GLU 76 2HG GLU 76 4.148 3.305 -10.835 377 H VAL 77 H VAL 77 -0.452 5.926 -9.686 378 HA VAL 77 HA VAL 77 -0.895 7.904 -11.803 379 HB VAL 77 HB VAL 77 -3.136 7.193 -11.859 380 1HG1 VAL 77 1HG1 VAL 77 -1.330 5.629 -12.795 381 2HG1 VAL 77 2HG1 VAL 77 -1.666 4.592 -11.387 382 3HG1 VAL 77 3HG1 VAL 77 -2.958 4.949 -12.559 383 1HG2 VAL 77 1HG2 VAL 77 -3.173 5.108 -9.835 384 2HG2 VAL 77 2HG2 VAL 77 -2.824 6.699 -9.119 385 3HG2 VAL 77 3HG2 VAL 77 -4.295 6.465 -10.092 386 H LYS 78 H LYS 78 -3.172 9.163 -10.930 387 HA LYS 78 HA LYS 78 -2.155 10.542 -8.559 388 2HB LYS 78 2HB LYS 78 -3.591 12.410 -9.318 389 2HG LYS 78 2HG LYS 78 -1.141 11.772 -10.242 390 2HD LYS 78 2HD LYS 78 -2.649 12.074 -12.848 391 2HE LYS 78 2HE LYS 78 -0.243 10.377 -12.719 392 1HZ LYS 78 1HZ LYS 78 -1.413 11.694 -14.593 393 2HZ LYS 78 2HZ LYS 78 -0.445 12.917 -14.107 394 3HZ LYS 78 3HZ LYS 78 0.210 11.509 -14.612 395 H ASN 79 H ASN 79 -4.572 8.331 -9.679 396 HA ASN 79 HA ASN 79 -5.862 8.603 -7.102 397 2HB ASN 79 2HB ASN 79 -7.894 7.870 -9.008 398 1HD2 ASN 79 1HD2 ASN 79 -6.593 11.028 -8.005 399 2HD2 ASN 79 2HD2 ASN 79 -7.877 11.465 -6.929 400 HA PRO 80 HA PRO 80 -4.930 4.298 -8.132 401 2HB PRO 80 2HB PRO 80 -3.025 4.137 -6.849 402 2HG PRO 80 2HG PRO 80 -2.675 5.910 -5.417 403 2HD PRO 80 2HD PRO 80 -3.869 7.550 -6.498 404 H ASP 81 H ASP 81 -6.001 2.307 -7.836 405 HA ASP 81 HA ASP 81 -8.540 2.806 -6.544 406 2HB ASP 81 2HB ASP 81 -7.582 0.541 -8.357 407 H SER 82 H SER 82 -7.694 2.547 -4.312 408 HA SER 82 HA SER 82 -6.111 0.646 -3.349 409 2HB SER 82 2HB SER 82 -8.621 1.883 -2.177 410 HG SER 82 HG SER 82 -7.544 1.123 -0.086 411 H LYS 83 H LYS 83 -9.361 0.226 -4.656 412 HA LYS 83 HA LYS 83 -10.024 -2.187 -3.416 413 2HB LYS 83 2HB LYS 83 -11.689 -2.392 -5.160 414 2HG LYS 83 2HG LYS 83 -12.735 -0.139 -5.015 415 2HD LYS 83 2HD LYS 83 -11.274 -1.004 -2.474 416 2HE LYS 83 2HE LYS 83 -12.547 1.398 -2.777 417 1HZ LYS 83 1HZ LYS 83 -14.571 -0.629 -2.192 418 2HZ LYS 83 2HZ LYS 83 -14.729 0.899 -1.639 419 3HZ LYS 83 3HZ LYS 83 -14.653 0.616 -3.246 420 H MET 84 H MET 84 -8.407 -1.498 -6.592 421 HA MET 84 HA MET 84 -8.023 -4.205 -7.161 422 2HB MET 84 2HB MET 84 -6.018 -2.343 -8.302 423 2HG MET 84 2HG MET 84 -7.189 -3.006 -10.435 424 1HE MET 84 1HE MET 84 -7.305 -7.066 -8.933 425 2HE MET 84 2HE MET 84 -6.923 -6.148 -7.457 426 3HE MET 84 3HE MET 84 -8.330 -5.695 -8.449 427 H MET 85 H MET 85 -6.113 -1.754 -5.390 428 HA MET 85 HA MET 85 -3.701 -3.095 -5.390 429 2HB MET 85 2HB MET 85 -4.493 -1.607 -2.904 430 2HG MET 85 2HG MET 85 -2.292 -1.293 -5.002 431 1HE MET 85 1HE MET 85 -3.782 1.039 -5.039 432 2HE MET 85 2HE MET 85 -2.943 2.424 -4.300 433 3HE MET 85 3HE MET 85 -2.076 1.358 -5.430 434 H GLN 86 H GLN 86 -6.395 -3.127 -2.949 435 HA GLN 86 HA GLN 86 -5.109 -4.970 -1.296 436 2HB GLN 86 2HB GLN 86 -8.078 -4.953 -1.237 437 2HG GLN 86 2HG GLN 86 -7.028 -3.788 1.086 438 1HE2 GLN 86 1HE2 GLN 86 -9.327 -4.885 0.490 439 2HE2 GLN 86 2HE2 GLN 86 -9.573 -6.423 1.247 440 H ILE 87 H ILE 87 -7.262 -5.261 -4.127 441 HA ILE 87 HA ILE 87 -7.850 -8.001 -3.742 442 HB ILE 87 HB ILE 87 -8.174 -5.989 -5.918 443 2HG1 ILE 87 2HG1 ILE 87 -9.746 -6.619 -3.859 444 1HG2 ILE 87 1HG2 ILE 87 -8.985 -7.617 -7.489 445 2HG2 ILE 87 2HG2 ILE 87 -7.318 -8.041 -7.034 446 3HG2 ILE 87 3HG2 ILE 87 -8.688 -8.944 -6.342 447 1HD1 ILE 87 1HD1 ILE 87 -11.399 -5.431 -4.969 448 2HD1 ILE 87 2HD1 ILE 87 -10.028 -5.066 -6.043 449 3HD1 ILE 87 3HD1 ILE 87 -11.186 -6.343 -6.483 450 H ASN 88 H ASN 88 -5.302 -6.159 -5.484 451 HA ASN 88 HA ASN 88 -4.251 -8.341 -6.823 452 2HB ASN 88 2HB ASN 88 -2.113 -6.872 -6.842 453 1HD2 ASN 88 1HD2 ASN 88 -3.938 -7.791 -8.591 454 2HD2 ASN 88 2HD2 ASN 88 -4.542 -6.532 -9.615 455 H LEU 89 H LEU 89 -3.568 -6.812 -3.611 456 HA LEU 89 HA LEU 89 -1.336 -8.333 -2.947 457 2HB LEU 89 2HB LEU 89 -2.063 -7.741 -0.577 458 HG LEU 89 HG LEU 89 -2.089 -5.267 -2.286 459 1HD1 LEU 89 1HD1 LEU 89 -0.306 -4.833 -0.302 460 2HD1 LEU 89 2HD1 LEU 89 -2.047 -4.487 -0.172 461 3HD1 LEU 89 3HD1 LEU 89 -1.388 -6.000 0.495 462 1HD2 LEU 89 1HD2 LEU 89 -0.391 -6.273 -3.449 463 2HD2 LEU 89 2HD2 LEU 89 0.525 -5.551 -2.103 464 3HD2 LEU 89 3HD2 LEU 89 0.112 -7.283 -2.072 465 H THR 90 H THR 90 -4.865 -8.920 -2.488 466 HA THR 90 HA THR 90 -4.632 -11.226 -0.945 467 HB THR 90 HB THR 90 -6.794 -10.686 -3.026 468 HG1 THR 90 1HG THR 90 -7.523 -9.090 -1.487 469 1HG2 THR 90 1HG2 THR 90 -6.518 -12.378 -0.665 470 2HG2 THR 90 2HG2 THR 90 -7.776 -11.151 -0.381 471 3HG2 THR 90 3HG2 THR 90 -7.901 -12.247 -1.777 472 H GLY 91 H GLY 91 -3.870 -10.665 -4.306 473 1HA GLY 91 1HA GLY 91 -4.213 -13.360 -5.187 474 2HA GLY 91 2HA GLY 91 -3.349 -12.069 -5.998 475 H PHE 92 H PHE 92 -1.865 -11.721 -3.195 476 HA PHE 92 HA PHE 92 -0.030 -13.975 -3.612 477 2HB PHE 92 2HB PHE 92 1.316 -11.679 -2.508 478 HD1 PHE 92 1HD PHE 92 3.472 -11.620 -3.350 479 HD2 PHE 92 2HD PHE 92 0.366 -13.155 -5.801 480 HE1 PHE 92 1HE PHE 92 5.165 -12.292 -5.076 481 HE2 PHE 92 2HE PHE 92 2.060 -13.826 -7.527 482 HZ PHE 92 HZ PHE 92 4.440 -13.386 -7.144 483 H LEU 93 H LEU 93 -1.069 -11.348 -1.327 484 HA LEU 93 HA LEU 93 0.102 -12.503 0.927 485 2HB LEU 93 2HB LEU 93 -1.104 -10.912 2.169 486 HG LEU 93 HG LEU 93 -1.073 -9.465 -0.466 487 1HD1 LEU 93 1HD1 LEU 93 -0.479 -8.723 2.404 488 2HD1 LEU 93 2HD1 LEU 93 -0.094 -7.669 1.023 489 3HD1 LEU 93 3HD1 LEU 93 -1.783 -8.123 1.351 490 1HD2 LEU 93 1HD2 LEU 93 1.200 -10.851 0.789 491 2HD2 LEU 93 2HD2 LEU 93 0.990 -10.244 -0.871 492 3HD2 LEU 93 3HD2 LEU 93 1.487 -9.132 0.426 493 H ASN 94 H ASN 94 -2.035 -12.657 2.822 494 HA ASN 94 HA ASN 94 -2.993 -15.268 2.071 495 2HB ASN 94 2HB ASN 94 -3.820 -15.161 4.575 496 1HD2 ASN 94 1HD2 ASN 94 -0.598 -13.801 4.259 497 2HD2 ASN 94 2HD2 ASN 94 0.304 -15.259 4.503 498 H GLY 95 H GLY 95 -3.992 -11.960 2.169 499 1HA GLY 95 1HA GLY 95 -6.108 -11.462 1.117 500 2HA GLY 95 2HA GLY 95 -6.835 -12.764 2.038 501 H LYS 96 H LYS 96 -5.727 -12.362 4.612 502 HA LYS 96 HA LYS 96 -7.316 -10.143 5.455 503 2HB LYS 96 2HB LYS 96 -5.992 -11.014 7.689 504 2HG LYS 96 2HG LYS 96 -8.521 -10.873 7.082 505 2HD LYS 96 2HD LYS 96 -7.709 -13.361 5.724 506 2HE LYS 96 2HE LYS 96 -8.785 -14.127 7.999 507 1HZ LYS 96 1HZ LYS 96 -11.326 -13.866 6.761 508 2HZ LYS 96 2HZ LYS 96 -10.896 -13.600 8.314 509 3HZ LYS 96 3HZ LYS 96 -10.704 -12.421 7.202 510 H ASN 97 H ASN 97 -3.830 -10.894 5.069 511 HA ASN 97 HA ASN 97 -2.884 -8.699 6.447 512 2HB ASN 97 2HB ASN 97 -1.153 -9.249 4.199 513 1HD2 ASN 97 1HD2 ASN 97 -0.085 -11.654 5.636 514 2HD2 ASN 97 2HD2 ASN 97 0.708 -11.050 7.053 515 H ALA 98 H ALA 98 -4.216 -9.159 3.174 516 HA ALA 98 HA ALA 98 -3.191 -6.849 1.971 517 1HB ALA 98 1HB ALA 98 -4.113 -8.618 0.633 518 2HB ALA 98 2HB ALA 98 -5.670 -8.541 1.491 519 3HB ALA 98 3HB ALA 98 -5.177 -7.206 0.422 520 H ARG 99 H ARG 99 -6.114 -7.499 3.972 521 HA ARG 99 HA ARG 99 -7.206 -4.965 3.556 522 2HB ARG 99 2HB ARG 99 -8.512 -5.591 5.726 523 2HG ARG 99 2HG ARG 99 -8.864 -7.953 4.003 524 2HD ARG 99 2HD ARG 99 -11.077 -6.676 3.572 525 HE ARG 99 HE ARG 99 -10.288 -8.138 5.827 526 1HH1 ARG 99 2HH2 ARG 99 -12.561 -5.531 5.178 527 2HH1 ARG 99 1HH2 ARG 99 -13.645 -5.989 6.449 528 1HH2 ARG 99 2HH1 ARG 99 -11.718 -8.742 7.504 529 2HH2 ARG 99 1HH1 ARG 99 -13.162 -7.827 7.781 530 H GLU 100 H GLU 100 -4.984 -6.393 5.997 531 HA GLU 100 HA GLU 100 -5.057 -4.124 7.671 532 2HB GLU 100 2HB GLU 100 -2.759 -5.378 8.410 533 2HG GLU 100 2HG GLU 100 -5.371 -6.794 8.980 534 H PHE 101 H PHE 101 -3.022 -5.256 4.950 535 HA PHE 101 HA PHE 101 -0.933 -3.438 5.298 536 2HB PHE 101 2HB PHE 101 -2.217 -4.893 2.920 537 HD1 PHE 101 1HD PHE 101 -2.045 -3.072 1.285 538 HD2 PHE 101 2HD PHE 101 1.372 -4.481 3.371 539 HE1 PHE 101 1HE PHE 101 -0.556 -1.928 -0.381 540 HE2 PHE 101 2HE PHE 101 2.861 -3.337 1.705 541 HZ PHE 101 HZ PHE 101 1.879 -2.074 -0.150 542 H MET 102 H MET 102 -3.948 -3.288 3.285 543 HA MET 102 HA MET 102 -3.334 -0.781 2.222 544 2HB MET 102 2HB MET 102 -5.933 -0.831 1.799 545 2HG MET 102 2HG MET 102 -5.723 -2.623 0.103 546 1HE MET 102 1HE MET 102 -4.638 0.781 -1.320 547 2HE MET 102 2HE MET 102 -5.797 -0.563 -1.453 548 3HE MET 102 3HE MET 102 -5.650 0.338 0.075 549 H GLY 103 H GLY 103 -4.945 -1.858 5.214 550 1HA GLY 103 1HA GLY 103 -6.072 0.709 5.836 551 2HA GLY 103 2HA GLY 103 -5.979 -0.702 6.870 552 H GLU 104 H GLU 104 -2.926 0.017 5.433 553 HA GLU 104 HA GLU 104 -2.190 1.598 7.767 554 2HB GLU 104 2HB GLU 104 0.101 0.253 7.443 555 2HG GLU 104 2HG GLU 104 -1.711 -1.604 8.756 556 H LEU 105 H LEU 105 -1.877 0.826 4.332 557 HA LEU 105 HA LEU 105 0.151 2.903 4.019 558 2HB LEU 105 2HB LEU 105 -0.412 0.409 2.746 559 HG LEU 105 HG LEU 105 0.067 1.100 0.404 560 1HD1 LEU 105 1HD1 LEU 105 -2.555 2.294 0.625 561 2HD1 LEU 105 2HD1 LEU 105 -2.076 0.706 -0.019 562 3HD1 LEU 105 3HD1 LEU 105 -2.400 0.901 1.721 563 1HD2 LEU 105 1HD2 LEU 105 0.449 3.615 1.452 564 2HD2 LEU 105 2HD2 LEU 105 0.274 3.217 -0.274 565 3HD2 LEU 105 3HD2 LEU 105 -1.140 3.755 0.663 566 H TRP 106 H TRP 106 -3.230 2.026 3.215 567 HA TRP 106 HA TRP 106 -3.730 4.109 1.437 568 2HB TRP 106 2HB TRP 106 -5.780 3.003 3.337 569 HD1 TRP 106 HD TRP 106 -7.995 4.164 2.614 570 HE1 TRP 106 1HE TRP 106 -9.142 5.060 0.412 571 HE3 TRP 106 3HE TRP 106 -4.130 3.030 -0.489 572 HZ2 TRP 106 2HZ TRP 106 -8.323 5.190 -2.319 573 HZ3 TRP 106 3HZ TRP 106 -4.385 3.574 -2.908 574 HH2 TRP 106 HH TRP 106 -6.391 4.617 -3.835 575 HA PRO 107 HA PRO 107 -4.766 6.494 5.422 576 2HB PRO 107 2HB PRO 107 -5.418 5.254 7.250 577 2HG PRO 107 2HG PRO 107 -4.790 3.036 7.182 578 2HD PRO 107 2HD PRO 107 -4.568 2.744 4.912 579 H LEU 108 H LEU 108 -1.683 4.982 5.075 580 HA LEU 108 HA LEU 108 -0.155 6.927 6.345 581 2HB LEU 108 2HB LEU 108 1.128 5.774 4.015 582 HG LEU 108 HG LEU 108 1.797 6.253 6.703 583 1HD1 LEU 108 1HD1 LEU 108 2.735 4.009 7.361 584 2HD1 LEU 108 2HD1 LEU 108 0.962 4.157 7.455 585 3HD1 LEU 108 3HD1 LEU 108 1.713 3.291 6.092 586 1HD2 LEU 108 1HD2 LEU 108 3.892 6.214 5.888 587 2HD2 LEU 108 2HD2 LEU 108 3.680 4.626 5.112 588 3HD2 LEU 108 3HD2 LEU 108 3.070 6.095 4.312 589 H LEU 109 H LEU 109 -1.444 6.701 2.988 590 HA LEU 109 HA LEU 109 -0.120 9.071 2.149 591 2HB LEU 109 2HB LEU 109 -1.295 8.794 0.120 592 HG LEU 109 HG LEU 109 -0.868 6.013 1.248 593 1HD1 LEU 109 1HD1 LEU 109 -0.470 6.064 -1.551 594 2HD1 LEU 109 2HD1 LEU 109 -1.738 5.219 -0.630 595 3HD1 LEU 109 3HD1 LEU 109 -2.027 6.868 -1.236 596 1HD2 LEU 109 1HD2 LEU 109 1.073 7.147 -0.663 597 2HD2 LEU 109 2HD2 LEU 109 1.032 7.932 0.934 598 3HD2 LEU 109 3HD2 LEU 109 1.329 6.181 0.810 599 H LEU 110 H LEU 110 -3.234 8.267 3.682 600 HA LEU 110 HA LEU 110 -4.614 10.591 3.142 601 2HB LEU 110 2HB LEU 110 -5.554 10.012 5.560 602 HG LEU 110 HG LEU 110 -7.149 9.507 4.026 603 1HD1 LEU 110 1HD1 LEU 110 -4.944 8.228 2.425 604 2HD1 LEU 110 2HD1 LEU 110 -6.656 7.967 2.015 605 3HD1 LEU 110 3HD1 LEU 110 -5.982 9.614 2.014 606 1HD2 LEU 110 1HD2 LEU 110 -7.917 7.452 4.529 607 2HD2 LEU 110 2HD2 LEU 110 -6.415 6.642 4.022 608 3HD2 LEU 110 3HD2 LEU 110 -6.512 7.417 5.622 609 H SER 111 H SER 111 -2.095 9.887 5.608 610 HA SER 111 HA SER 111 -2.410 12.446 6.794 611 2HB SER 111 2HB SER 111 -0.133 10.435 7.079 612 HG SER 111 HG SER 111 0.578 12.209 8.158 613 H ALA 112 H ALA 112 -0.132 10.846 4.497 614 HA ALA 112 HA ALA 112 1.740 12.888 4.335 615 1HB ALA 112 1HB ALA 112 0.801 10.711 2.449 616 2HB ALA 112 2HB ALA 112 2.103 11.838 1.998 617 3HB ALA 112 3HB ALA 112 2.293 10.779 3.417 618 H GLN 113 H GLN 113 -1.313 12.306 2.479 619 HA GLN 113 HA GLN 113 -0.990 14.438 0.758 620 2HB GLN 113 2HB GLN 113 -2.632 12.604 0.439 621 2HG GLN 113 2HG GLN 113 -3.919 13.920 2.857 622 1HE2 GLN 113 1HE2 GLN 113 -4.548 11.395 0.415 623 2HE2 GLN 113 2HE2 GLN 113 -6.245 11.687 0.232 624 H GLU 114 H GLU 114 -1.648 14.359 4.159 625 HA GLU 114 HA GLU 114 -2.967 16.916 4.119 626 2HB GLU 114 2HB GLU 114 -2.933 16.573 6.659 627 2HG GLU 114 2HG GLU 114 -4.240 14.120 5.997 628 H ASN 115 H ASN 115 0.221 15.691 4.063 629 HA ASN 115 HA ASN 115 1.334 17.749 5.697 630 2HB ASN 115 2HB ASN 115 3.272 16.453 3.938 631 1HD2 ASN 115 1HD2 ASN 115 1.839 15.246 6.937 632 2HD2 ASN 115 2HD2 ASN 115 3.133 15.683 8.004 633 H ILE 116 H ILE 116 3.679 18.351 4.067 634 HA ILE 116 HA ILE 116 2.406 19.883 1.908 635 HB ILE 116 HB ILE 116 3.447 21.038 3.972 636 2HG1 ILE 116 2HG1 ILE 116 3.719 22.954 2.722 637 1HG2 ILE 116 1HG2 ILE 116 5.925 20.203 2.452 638 2HG2 ILE 116 2HG2 ILE 116 5.888 21.559 3.603 639 3HG2 ILE 116 3HG2 ILE 116 5.526 19.909 4.161 640 1HD1 ILE 116 1HD1 ILE 116 5.102 21.135 0.740 641 2HD1 ILE 116 2HD1 ILE 116 4.426 22.687 0.190 642 3HD1 ILE 116 3HD1 ILE 116 5.676 22.660 1.457 643 H ALA 117 H ALA 117 5.263 17.939 2.930 644 HA ALA 117 HA ALA 117 6.268 17.932 0.220 645 1HB ALA 117 1HB ALA 117 8.012 16.420 1.317 646 2HB ALA 117 2HB ALA 117 7.908 18.079 1.952 647 3HB ALA 117 3HB ALA 117 7.177 16.732 2.858 648 H GLY 118 H GLY 118 3.700 16.474 1.706 649 1HA GLY 118 1HA GLY 118 2.418 14.722 1.108 650 2HA GLY 118 2HA GLY 118 3.471 14.449 -0.266 651 H ILE 119 H ILE 119 4.415 14.501 3.220 652 HA ILE 119 HA ILE 119 5.047 11.644 2.951 653 HB ILE 119 HB ILE 119 6.694 13.939 3.778 654 2HG1 ILE 119 2HG1 ILE 119 7.163 11.199 2.591 655 1HG2 ILE 119 1HG2 ILE 119 6.304 12.909 5.967 656 2HG2 ILE 119 2HG2 ILE 119 6.833 11.336 5.325 657 3HG2 ILE 119 3HG2 ILE 119 7.986 12.688 5.428 658 1HD1 ILE 119 1HD1 ILE 119 7.246 12.318 0.616 659 2HD1 ILE 119 2HD1 ILE 119 6.510 13.689 1.480 660 3HD1 ILE 119 3HD1 ILE 119 8.279 13.595 1.304 661 HA PRO 120 HA PRO 120 2.485 11.239 6.411 662 2HB PRO 120 2HB PRO 120 1.953 9.072 5.841 663 2HG PRO 120 2HG PRO 120 3.450 8.058 4.410 664 2HD PRO 120 2HD PRO 120 4.373 9.909 3.406 665 H SER 121 H SER 121 2.364 11.254 8.696 666 HA SER 121 HA SER 121 4.634 12.380 9.798 667 2HB SER 121 2HB SER 121 2.214 12.597 10.587 668 HG SER 121 HG SER 121 2.606 10.492 12.410 669 H ALA 122 H ALA 122 3.824 9.084 9.128 670 HA ALA 122 HA ALA 122 5.047 7.770 11.259 671 1HB ALA 122 1HB ALA 122 3.538 6.756 9.548 672 2HB ALA 122 2HB ALA 122 4.838 6.920 8.342 673 3HB ALA 122 3HB ALA 122 5.059 5.850 9.747 674 H PHE 123 H PHE 123 6.338 9.487 8.441 675 HA PHE 123 HA PHE 123 8.993 8.415 8.995 676 2HB PHE 123 2HB PHE 123 9.495 9.524 6.803 677 HD1 PHE 123 1HD PHE 123 7.913 6.926 8.003 678 HD2 PHE 123 2HD PHE 123 7.645 9.359 4.536 679 HE1 PHE 123 1HE PHE 123 6.894 5.012 6.738 680 HE2 PHE 123 2HE PHE 123 6.627 7.445 3.272 681 HZ PHE 123 HZ PHE 123 6.263 5.294 4.388 682 H LEU 124 H LEU 124 7.042 11.422 9.040 683 HA LEU 124 HA LEU 124 9.107 13.235 9.377 684 2HB LEU 124 2HB LEU 124 7.408 14.706 10.293 685 HG LEU 124 HG LEU 124 6.291 12.984 8.063 686 1HD1 LEU 124 1HD1 LEU 124 5.061 15.110 9.586 687 2HD1 LEU 124 2HD1 LEU 124 5.235 15.575 7.877 688 3HD1 LEU 124 3HD1 LEU 124 4.375 14.077 8.309 689 1HD2 LEU 124 1HD2 LEU 124 7.652 15.679 7.869 690 2HD2 LEU 124 2HD2 LEU 124 8.491 14.126 7.646 691 3HD2 LEU 124 3HD2 LEU 124 7.174 14.592 6.543 692 H GLU 125 H GLU 125 6.959 11.957 12.019 693 HA GLU 125 HA GLU 125 8.489 12.858 14.068 694 2HB GLU 125 2HB GLU 125 6.802 10.320 13.934 695 2HG GLU 125 2HG GLU 125 8.517 10.931 15.975 696 H LEU 126 H LEU 126 8.476 9.426 12.839 697 HA LEU 126 HA LEU 126 10.507 8.414 14.264 698 2HB LEU 126 2HB LEU 126 11.025 7.189 11.970 699 HG LEU 126 HG LEU 126 8.432 6.915 13.507 700 1HD1 LEU 126 1HD1 LEU 126 7.645 5.496 11.998 701 2HD1 LEU 126 2HD1 LEU 126 9.030 5.862 10.943 702 3HD1 LEU 126 3HD1 LEU 126 9.127 4.517 12.107 703 1HD2 LEU 126 1HD2 LEU 126 11.173 5.984 13.907 704 2HD2 LEU 126 2HD2 LEU 126 9.803 6.056 15.041 705 3HD2 LEU 126 3HD2 LEU 126 9.976 4.667 13.941 706 H LYS 127 H LYS 127 12.818 8.165 14.000 707 HA LYS 127 HA LYS 127 13.993 10.365 12.444 708 2HB LYS 127 2HB LYS 127 15.801 10.269 14.290 709 2HG LYS 127 2HG LYS 127 12.983 11.360 14.662 710 2HD LYS 127 2HD LYS 127 15.207 11.231 16.604 711 2HE LYS 127 2HE LYS 127 13.915 13.934 15.995 712 1HZ LYS 127 1HZ LYS 127 15.769 13.003 18.070 713 2HZ LYS 127 2HZ LYS 127 15.542 14.584 17.724 714 3HZ LYS 127 3HZ LYS 127 14.299 13.684 18.284 715 H LYS 128 H LYS 128 16.357 9.920 11.874 716 HA LYS 128 HA LYS 128 17.117 7.159 11.815 717 2HB LYS 128 2HB LYS 128 15.562 7.090 9.977 718 2HG LYS 128 2HG LYS 128 16.996 8.948 8.199 719 2HD LYS 128 2HD LYS 128 14.377 9.781 8.325 720 2HE LYS 128 2HE LYS 128 15.406 7.307 6.853 721 1HZ LYS 128 1HZ LYS 128 13.584 8.908 5.480 722 2HZ LYS 128 2HZ LYS 128 13.447 7.331 5.885 723 3HZ LYS 128 3HZ LYS 128 12.921 8.486 6.912 724 H GLU 129 H GLU 129 19.344 6.941 11.564 725 HA GLU 129 HA GLU 129 20.845 9.193 12.096 726 2HB GLU 129 2HB GLU 129 22.053 6.735 10.810 727 2HG GLU 129 2HG GLU 129 22.970 8.973 12.399 728 H GLU 130 H GLU 130 21.225 10.901 10.754 729 HA GLU 130 HA GLU 130 22.412 10.447 8.251 730 2HB GLU 130 2HB GLU 130 19.702 11.805 8.062 731 2HG GLU 130 2HG GLU 130 21.848 10.858 6.179 732 H ILE 131 H ILE 131 23.912 11.755 9.621 733 HA ILE 131 HA ILE 131 23.148 14.591 9.545 734 HB ILE 131 HB ILE 131 24.907 13.196 11.563 735 2HG1 ILE 131 2HG1 ILE 131 23.142 13.526 13.160 736 1HG2 ILE 131 1HG2 ILE 131 25.787 15.225 11.847 737 2HG2 ILE 131 2HG2 ILE 131 24.546 16.002 10.836 738 3HG2 ILE 131 3HG2 ILE 131 24.220 15.682 12.556 739 1HD1 ILE 131 1HD1 ILE 131 21.022 14.530 12.634 740 2HD1 ILE 131 2HD1 ILE 131 22.258 15.661 12.032 741 3HD1 ILE 131 3HD1 ILE 131 21.404 14.589 10.897 742 H LYS 132 H LYS 132 23.999 14.944 7.457 743 HA LYS 132 HA LYS 132 25.563 15.433 5.980 744 2HB LYS 132 2HB LYS 132 28.003 15.630 7.208 745 2HG LYS 132 2HG LYS 132 25.647 17.560 7.098 746 2HD LYS 132 2HD LYS 132 28.492 17.957 8.080 747 2HE LYS 132 2HE LYS 132 27.622 20.509 7.870 748 1HZ LYS 132 1HZ LYS 132 29.659 19.795 6.962 749 2HZ LYS 132 2HZ LYS 132 28.941 18.914 5.790 750 3HZ LYS 132 3HZ LYS 132 28.858 20.544 5.752 751 H GLN 133 H GLN 133 25.423 13.564 4.729 752 HA GLN 133 HA GLN 133 26.491 11.136 5.494 753 2HB GLN 133 2HB GLN 133 26.397 11.840 2.575 754 2HG GLN 133 2HG GLN 133 26.274 9.489 4.189 755 1HE2 GLN 133 1HE2 GLN 133 24.826 7.705 4.034 756 2HE2 GLN 133 2HE2 GLN 133 23.114 7.942 3.937 757 H ARG 134 H ARG 134 28.480 10.076 5.053 758 HA ARG 134 HA ARG 134 30.477 11.692 3.727 759 2HB ARG 134 2HB ARG 134 31.729 10.327 5.961 760 2HG ARG 134 2HG ARG 134 31.786 13.042 6.535 761 2HD ARG 134 2HD ARG 134 33.476 11.158 4.918 762 HE ARG 134 HE ARG 134 33.561 14.079 4.526 763 1HH1 ARG 134 2HH2 ARG 134 35.342 11.048 4.359 764 2HH1 ARG 134 1HH2 ARG 134 36.529 11.659 3.256 765 1HH2 ARG 134 2HH1 ARG 134 35.127 14.885 3.071 766 2HH2 ARG 134 1HH1 ARG 134 36.406 13.856 2.518 Start of MODEL 15 1 1H SER 24 H SER 24 -4.055 -7.920 -12.385 2 HA SER 24 HA SER 24 -6.203 -6.854 -12.418 3 2HB SER 24 2HB SER 24 -7.291 -8.092 -14.784 4 HG SER 24 HG SER 24 -7.885 -5.962 -15.260 5 H HIS 25 H HIS 25 -4.952 -9.139 -11.288 6 HA HIS 25 HA HIS 25 -6.837 -11.299 -11.814 7 2HB HIS 25 2HB HIS 25 -5.065 -12.612 -11.600 8 HD1 HIS 25 1HD HIS 25 -4.111 -10.235 -13.204 9 HD2 HIS 25 2HD HIS 25 -2.254 -11.453 -9.646 10 HE1 HIS 25 1HE HIS 25 -1.733 -9.314 -13.286 11 H MET 26 H MET 26 -7.443 -12.587 -9.703 12 HA MET 26 HA MET 26 -8.561 -12.634 -7.840 13 2HB MET 26 2HB MET 26 -7.846 -10.714 -6.095 14 2HG MET 26 2HG MET 26 -7.082 -13.160 -6.122 15 1HE MET 26 1HE MET 26 -3.217 -11.560 -7.842 16 2HE MET 26 2HE MET 26 -4.621 -10.734 -8.557 17 3HE MET 26 3HE MET 26 -4.390 -10.731 -6.793 18 H GLN 27 H GLN 27 -10.242 -11.456 -6.433 19 HA GLN 27 HA GLN 27 -11.101 -8.918 -7.160 20 2HB GLN 27 2HB GLN 27 -13.376 -10.354 -8.091 21 2HG GLN 27 2HG GLN 27 -12.851 -9.174 -10.238 22 1HE2 GLN 27 1HE2 GLN 27 -12.933 -6.818 -10.463 23 2HE2 GLN 27 2HE2 GLN 27 -13.491 -5.853 -9.137 24 H LEU 28 H LEU 28 -10.564 -10.156 -4.736 25 HA LEU 28 HA LEU 28 -13.035 -11.149 -3.635 26 2HB LEU 28 2HB LEU 28 -11.152 -12.242 -2.832 27 HG LEU 28 HG LEU 28 -9.357 -10.954 -1.511 28 1HD1 LEU 28 1HD1 LEU 28 -8.135 -11.768 -3.170 29 2HD1 LEU 28 2HD1 LEU 28 -9.544 -11.757 -4.257 30 3HD1 LEU 28 3HD1 LEU 28 -8.504 -10.317 -4.132 31 1HD2 LEU 28 1HD2 LEU 28 -10.646 -8.760 -1.760 32 2HD2 LEU 28 2HD2 LEU 28 -8.889 -8.717 -2.039 33 3HD2 LEU 28 3HD2 LEU 28 -10.010 -8.713 -3.422 34 H LYS 29 H LYS 29 -13.133 -10.019 -1.104 35 HA LYS 29 HA LYS 29 -14.096 -7.373 -1.796 36 2HB LYS 29 2HB LYS 29 -14.545 -9.290 0.478 37 2HG LYS 29 2HG LYS 29 -15.462 -6.379 0.396 38 2HD LYS 29 2HD LYS 29 -15.852 -7.199 2.941 39 2HE LYS 29 2HE LYS 29 -17.524 -7.007 0.536 40 1HZ LYS 29 1HZ LYS 29 -18.493 -8.733 2.704 41 2HZ LYS 29 2HZ LYS 29 -19.301 -8.306 1.352 42 3HZ LYS 29 3HZ LYS 29 -18.007 -9.297 1.250 43 H PHE 30 H PHE 30 -13.579 -5.485 -0.438 44 HA PHE 30 HA PHE 30 -10.870 -5.735 0.669 45 2HB PHE 30 2HB PHE 30 -10.459 -4.139 -0.965 46 HD1 PHE 30 1HD PHE 30 -11.137 -4.470 -3.150 47 HD2 PHE 30 2HD PHE 30 -13.997 -3.142 -0.310 48 HE1 PHE 30 1HE PHE 30 -12.838 -4.221 -4.978 49 HE2 PHE 30 2HE PHE 30 -15.698 -2.893 -2.139 50 HZ PHE 30 HZ PHE 30 -15.098 -3.435 -4.452 51 H ALA 31 H ALA 31 -10.695 -3.186 1.848 52 HA ALA 31 HA ALA 31 -12.474 -3.594 4.109 53 1HB ALA 31 1HB ALA 31 -10.564 -3.091 5.183 54 2HB ALA 31 2HB ALA 31 -9.773 -2.633 3.655 55 3HB ALA 31 3HB ALA 31 -10.712 -1.427 4.566 56 H GLU 32 H GLU 32 -12.567 -0.942 5.105 57 HA GLU 32 HA GLU 32 -14.293 0.242 3.077 58 2HB GLU 32 2HB GLU 32 -15.391 1.386 5.078 59 2HG GLU 32 2HG GLU 32 -15.546 -1.557 5.624 60 H CYS 33 H CYS 33 -11.711 0.829 5.498 61 HA CYS 33 HA CYS 33 -11.589 3.566 5.352 62 2HB CYS 33 2HB CYS 33 -10.315 2.456 7.021 63 HG CYS 33 HG CYS 33 -10.010 0.104 6.254 64 H LEU 34 H LEU 34 -10.943 1.121 2.954 65 HA LEU 34 HA LEU 34 -9.026 2.539 1.437 66 2HB LEU 34 2HB LEU 34 -9.383 0.877 -0.222 67 HG LEU 34 HG LEU 34 -10.040 -0.744 2.217 68 1HD1 LEU 34 1HD1 LEU 34 -9.633 -2.222 0.541 69 2HD1 LEU 34 2HD1 LEU 34 -8.562 -1.108 -0.341 70 3HD1 LEU 34 3HD1 LEU 34 -7.958 -1.976 1.091 71 1HD2 LEU 34 1HD2 LEU 34 -7.389 0.650 1.745 72 2HD2 LEU 34 2HD2 LEU 34 -8.540 0.978 3.063 73 3HD2 LEU 34 3HD2 LEU 34 -7.710 -0.595 2.977 74 H GLU 35 H GLU 35 -12.263 3.207 2.165 75 HA GLU 35 HA GLU 35 -12.766 4.387 -0.427 76 2HB GLU 35 2HB GLU 35 -15.052 4.711 0.364 77 2HG GLU 35 2HG GLU 35 -14.558 2.061 1.634 78 H LYS 36 H LYS 36 -10.621 5.413 1.367 79 HA LYS 36 HA LYS 36 -11.773 7.980 2.170 80 2HB LYS 36 2HB LYS 36 -9.431 8.190 3.265 81 2HG LYS 36 2HG LYS 36 -10.479 6.103 4.866 82 2HD LYS 36 2HD LYS 36 -11.809 8.641 5.377 83 2HE LYS 36 2HE LYS 36 -9.314 7.538 6.732 84 1HZ LYS 36 1HZ LYS 36 -10.014 8.781 8.445 85 2HZ LYS 36 2HZ LYS 36 -10.708 9.683 7.275 86 3HZ LYS 36 3HZ LYS 36 -11.604 8.609 8.118 87 H LYS 37 H LYS 37 -10.343 6.478 -0.478 88 HA LYS 37 HA LYS 37 -9.283 7.187 -2.282 89 2HB LYS 37 2HB LYS 37 -9.786 9.580 -2.981 90 2HG LYS 37 2HG LYS 37 -11.423 7.281 -2.854 91 2HD LYS 37 2HD LYS 37 -12.637 9.548 -1.396 92 2HE LYS 37 2HE LYS 37 -14.924 9.051 -2.476 93 1HZ LYS 37 1HZ LYS 37 -14.641 10.840 -3.778 94 2HZ LYS 37 2HZ LYS 37 -13.217 10.961 -2.988 95 3HZ LYS 37 3HZ LYS 37 -13.270 10.301 -4.482 96 H VAL 38 H VAL 38 -7.646 9.027 -3.147 97 HA VAL 38 HA VAL 38 -6.020 10.115 -1.042 98 HB VAL 38 HB VAL 38 -4.005 8.893 -1.675 99 1HG1 VAL 38 1HG1 VAL 38 -6.198 6.938 -0.922 100 2HG1 VAL 38 2HG1 VAL 38 -4.471 6.855 -0.500 101 3HG1 VAL 38 3HG1 VAL 38 -5.499 8.127 0.201 102 1HG2 VAL 38 1HG2 VAL 38 -4.081 8.054 -3.785 103 2HG2 VAL 38 2HG2 VAL 38 -4.672 6.601 -2.943 104 3HG2 VAL 38 3HG2 VAL 38 -5.827 7.718 -3.709 105 H ASP 39 H ASP 39 -3.692 10.579 -2.583 106 HA ASP 39 HA ASP 39 -4.371 11.461 -5.154 107 2HB ASP 39 2HB ASP 39 -3.617 13.865 -3.610 108 H MET 40 H MET 40 -2.361 10.488 -5.752 109 HA MET 40 HA MET 40 -0.041 10.756 -4.251 110 2HB MET 40 2HB MET 40 1.052 9.846 -6.329 111 2HG MET 40 2HG MET 40 -0.641 7.916 -6.749 112 1HE MET 40 1HE MET 40 -1.333 9.195 -3.480 113 2HE MET 40 2HE MET 40 -0.695 7.933 -2.399 114 3HE MET 40 3HE MET 40 0.276 9.385 -2.742 115 H SER 41 H SER 41 -1.629 12.903 -6.525 116 HA SER 41 HA SER 41 0.692 14.292 -7.302 117 2HB SER 41 2HB SER 41 -1.863 15.794 -7.346 118 HG SER 41 HG SER 41 -0.482 14.810 -9.648 119 H LYS 42 H LYS 42 -0.883 14.019 -4.329 120 HA LYS 42 HA LYS 42 0.007 16.704 -3.533 121 2HB LYS 42 2HB LYS 42 -1.783 16.893 -2.047 122 2HG LYS 42 2HG LYS 42 -3.842 16.139 -3.387 123 2HD LYS 42 2HD LYS 42 -2.166 17.397 -5.463 124 2HE LYS 42 2HE LYS 42 -4.167 18.921 -3.829 125 1HZ LYS 42 1HZ LYS 42 -4.643 19.795 -5.862 126 2HZ LYS 42 2HZ LYS 42 -3.062 19.449 -6.072 127 3HZ LYS 42 3HZ LYS 42 -4.203 18.464 -6.701 128 H VAL 43 H VAL 43 -0.195 13.204 -2.762 129 HA VAL 43 HA VAL 43 1.787 13.667 -0.649 130 HB VAL 43 HB VAL 43 0.245 12.524 0.494 131 1HG1 VAL 43 1HG1 VAL 43 -1.553 11.178 -0.462 132 2HG1 VAL 43 2HG1 VAL 43 -1.426 12.736 -1.312 133 3HG1 VAL 43 3HG1 VAL 43 -0.786 11.257 -2.066 134 1HG2 VAL 43 1HG2 VAL 43 2.048 10.913 0.402 135 2HG2 VAL 43 2HG2 VAL 43 0.493 10.047 0.367 136 3HG2 VAL 43 3HG2 VAL 43 1.431 10.251 -1.131 137 H ASN 44 H ASN 44 3.633 12.198 -0.533 138 HA ASN 44 HA ASN 44 4.496 11.540 -3.189 139 2HB ASN 44 2HB ASN 44 6.599 10.807 -1.612 140 1HD2 ASN 44 1HD2 ASN 44 7.944 12.936 -0.859 141 2HD2 ASN 44 2HD2 ASN 44 8.034 14.155 -2.085 142 H LEU 45 H LEU 45 4.439 9.420 -3.975 143 HA LEU 45 HA LEU 45 3.608 7.343 -2.132 144 2HB LEU 45 2HB LEU 45 2.858 7.966 -4.659 145 HG LEU 45 HG LEU 45 3.500 6.236 -6.181 146 1HD1 LEU 45 1HD1 LEU 45 5.255 8.284 -5.332 147 2HD1 LEU 45 2HD1 LEU 45 6.257 6.853 -5.679 148 3HD1 LEU 45 3HD1 LEU 45 5.162 7.498 -6.926 149 1HD2 LEU 45 1HD2 LEU 45 4.416 4.296 -5.601 150 2HD2 LEU 45 2HD2 LEU 45 5.790 5.103 -4.808 151 3HD2 LEU 45 3HD2 LEU 45 4.281 4.821 -3.906 152 H GLU 46 H GLU 46 6.466 8.533 -3.811 153 HA GLU 46 HA GLU 46 7.916 6.203 -3.925 154 2HB GLU 46 2HB GLU 46 9.707 8.348 -3.301 155 2HG GLU 46 2HG GLU 46 9.562 8.314 -6.040 156 H VAL 47 H VAL 47 7.322 8.486 -1.225 157 HA VAL 47 HA VAL 47 9.268 7.360 0.493 158 HB VAL 47 HB VAL 47 7.970 8.619 2.231 159 1HG1 VAL 47 1HG1 VAL 47 9.367 10.269 1.688 160 2HG1 VAL 47 2HG1 VAL 47 9.549 9.574 0.059 161 3HG1 VAL 47 3HG1 VAL 47 8.279 10.780 0.375 162 1HG2 VAL 47 1HG2 VAL 47 5.877 8.433 0.421 163 2HG2 VAL 47 2HG2 VAL 47 5.931 9.474 1.862 164 3HG2 VAL 47 3HG2 VAL 47 6.400 10.128 0.275 165 H ILE 48 H ILE 48 6.426 6.089 -0.815 166 HA ILE 48 HA ILE 48 5.989 4.417 1.559 167 HB ILE 48 HB ILE 48 4.026 4.437 -0.657 168 2HG1 ILE 48 2HG1 ILE 48 3.010 6.514 -0.066 169 1HG2 ILE 48 1HG2 ILE 48 2.446 4.205 1.137 170 2HG2 ILE 48 2HG2 ILE 48 3.795 3.078 1.415 171 3HG2 ILE 48 3HG2 ILE 48 3.692 4.590 2.350 172 1HD1 ILE 48 1HD1 ILE 48 5.160 6.611 2.089 173 2HD1 ILE 48 2HD1 ILE 48 4.281 8.063 1.551 174 3HD1 ILE 48 3HD1 ILE 48 3.394 6.711 2.296 175 H LYS 49 H LYS 49 7.517 4.557 -1.465 176 HA LYS 49 HA LYS 49 6.950 2.081 -2.567 177 2HB LYS 49 2HB LYS 49 9.720 2.832 -2.942 178 2HG LYS 49 2HG LYS 49 8.535 1.679 -4.686 179 2HD LYS 49 2HD LYS 49 6.537 3.427 -5.617 180 2HE LYS 49 2HE LYS 49 6.567 0.820 -4.081 181 1HZ LYS 49 1HZ LYS 49 4.583 1.648 -3.319 182 2HZ LYS 49 2HZ LYS 49 4.258 2.500 -4.674 183 3HZ LYS 49 3HZ LYS 49 4.110 0.874 -4.678 184 HA PRO 50 HA PRO 50 10.368 0.418 0.248 185 2HB PRO 50 2HB PRO 50 12.088 1.852 0.781 186 2HG PRO 50 2HG PRO 50 11.578 4.091 0.564 187 2HD PRO 50 2HD PRO 50 9.868 3.973 -0.968 188 H TRP 51 H TRP 51 7.880 2.364 1.644 189 HA TRP 51 HA TRP 51 7.641 0.771 3.987 190 2HB TRP 51 2HB TRP 51 5.673 2.684 2.717 191 HD1 TRP 51 HD TRP 51 6.371 2.951 6.402 192 HE1 TRP 51 1HE TRP 51 4.346 2.130 7.881 193 HE3 TRP 51 3HE TRP 51 3.791 0.777 2.597 194 HZ2 TRP 51 2HZ TRP 51 1.947 0.696 7.307 195 HZ3 TRP 51 3HZ TRP 51 1.616 -0.311 3.142 196 HH2 TRP 51 HH TRP 51 0.688 -0.374 5.402 197 H ILE 52 H ILE 52 6.032 0.961 0.753 198 HA ILE 52 HA ILE 52 4.212 -1.140 1.358 199 HB ILE 52 HB ILE 52 4.892 0.583 -0.948 200 2HG1 ILE 52 2HG1 ILE 52 2.809 0.326 0.925 201 1HG2 ILE 52 1HG2 ILE 52 3.728 -2.185 -1.270 202 2HG2 ILE 52 2HG2 ILE 52 3.429 -0.873 -2.434 203 3HG2 ILE 52 3HG2 ILE 52 5.091 -1.441 -2.140 204 1HD1 ILE 52 1HD1 ILE 52 2.558 1.886 -1.658 205 2HD1 ILE 52 2HD1 ILE 52 2.083 2.361 -0.010 206 3HD1 ILE 52 3HD1 ILE 52 3.802 2.332 -0.466 207 H THR 53 H THR 53 7.246 -0.875 -0.611 208 HA THR 53 HA THR 53 7.330 -3.546 -1.390 209 HB THR 53 HB THR 53 9.597 -1.552 -0.859 210 HG1 THR 53 1HG THR 53 7.913 -2.267 -3.157 211 1HG2 THR 53 1HG2 THR 53 10.135 -3.019 -3.173 212 2HG2 THR 53 2HG2 THR 53 10.899 -3.302 -1.590 213 3HG2 THR 53 3HG2 THR 53 9.478 -4.258 -2.076 214 H LYS 54 H LYS 54 8.440 -1.944 1.620 215 HA LYS 54 HA LYS 54 9.726 -4.300 2.568 216 2HB LYS 54 2HB LYS 54 8.884 -1.762 3.999 217 2HG LYS 54 2HG LYS 54 11.211 -3.209 5.024 218 2HD LYS 54 2HD LYS 54 8.567 -2.701 6.438 219 2HE LYS 54 2HE LYS 54 11.500 -2.690 7.296 220 1HZ LYS 54 1HZ LYS 54 9.853 -1.070 8.356 221 2HZ LYS 54 2HZ LYS 54 9.216 -2.389 9.078 222 3HZ LYS 54 3HZ LYS 54 10.780 -1.994 9.335 223 H ARG 55 H ARG 55 6.485 -2.802 2.864 224 HA ARG 55 HA ARG 55 5.634 -4.484 4.913 225 2HB ARG 55 2HB ARG 55 3.299 -3.810 3.612 226 2HG ARG 55 2HG ARG 55 3.236 -1.816 5.046 227 2HD ARG 55 2HD ARG 55 3.931 -4.438 5.973 228 HE ARG 55 HE ARG 55 5.727 -2.423 7.060 229 1HH1 ARG 55 2HH2 ARG 55 3.871 -5.295 7.893 230 2HH1 ARG 55 1HH2 ARG 55 4.892 -5.724 9.225 231 1HH2 ARG 55 2HH1 ARG 55 7.074 -2.988 8.817 232 2HH2 ARG 55 1HH1 ARG 55 6.726 -4.403 9.754 233 H VAL 56 H VAL 56 5.208 -4.561 1.306 234 HA VAL 56 HA VAL 56 3.696 -6.918 1.265 235 HB VAL 56 HB VAL 56 4.358 -6.954 -1.131 236 1HG1 VAL 56 1HG1 VAL 56 3.533 -4.185 -0.210 237 2HG1 VAL 56 2HG1 VAL 56 3.122 -4.995 -1.741 238 3HG1 VAL 56 3HG1 VAL 56 2.448 -5.595 -0.206 239 1HG2 VAL 56 1HG2 VAL 56 5.557 -4.566 -1.655 240 2HG2 VAL 56 2HG2 VAL 56 6.368 -5.021 -0.138 241 3HG2 VAL 56 3HG2 VAL 56 6.419 -6.119 -1.539 242 H THR 57 H THR 57 7.228 -6.246 1.176 243 HA THR 57 HA THR 57 7.966 -8.929 0.638 244 HB THR 57 HB THR 57 9.455 -6.544 1.859 245 HG1 THR 57 1HG THR 57 8.625 -7.533 -0.687 246 1HG2 THR 57 1HG2 THR 57 10.636 -8.760 2.229 247 2HG2 THR 57 2HG2 THR 57 10.533 -9.058 0.478 248 3HG2 THR 57 3HG2 THR 57 11.499 -7.696 1.093 249 H GLU 58 H GLU 58 7.514 -7.027 3.661 250 HA GLU 58 HA GLU 58 8.437 -9.149 5.268 251 2HB GLU 58 2HB GLU 58 7.096 -7.672 7.052 252 2HG GLU 58 2HG GLU 58 9.318 -6.092 5.856 253 H ILE 59 H ILE 59 5.350 -8.253 3.799 254 HA ILE 59 HA ILE 59 3.605 -9.563 5.503 255 HB ILE 59 HB ILE 59 3.596 -8.718 2.649 256 2HG1 ILE 59 2HG1 ILE 59 3.035 -7.347 4.824 257 1HG2 ILE 59 1HG2 ILE 59 1.200 -9.585 2.517 258 2HG2 ILE 59 2HG2 ILE 59 2.508 -10.776 2.323 259 3HG2 ILE 59 3HG2 ILE 59 1.633 -10.661 3.868 260 1HD1 ILE 59 1HD1 ILE 59 0.943 -6.439 3.300 261 2HD1 ILE 59 2HD1 ILE 59 2.648 -6.043 2.979 262 3HD1 ILE 59 3HD1 ILE 59 1.859 -7.368 2.089 263 H LEU 60 H LEU 60 5.462 -10.786 2.647 264 HA LEU 60 HA LEU 60 4.611 -13.484 3.383 265 2HB LEU 60 2HB LEU 60 4.454 -13.828 1.220 266 HG LEU 60 HG LEU 60 4.275 -11.164 1.179 267 1HD1 LEU 60 1HD1 LEU 60 6.623 -10.680 1.041 268 2HD1 LEU 60 2HD1 LEU 60 6.811 -11.748 -0.370 269 3HD1 LEU 60 3HD1 LEU 60 5.861 -10.249 -0.509 270 1HD2 LEU 60 1HD2 LEU 60 4.625 -12.193 -1.550 271 2HD2 LEU 60 2HD2 LEU 60 3.604 -13.214 -0.509 272 3HD2 LEU 60 3HD2 LEU 60 3.194 -11.499 -0.752 273 H GLY 61 H GLY 61 7.534 -11.463 2.713 274 1HA GLY 61 1HA GLY 61 9.276 -11.806 4.466 275 2HA GLY 61 2HA GLY 61 9.130 -13.518 4.124 276 H PHE 62 H PHE 62 8.522 -12.315 1.152 277 HA PHE 62 HA PHE 62 11.360 -11.984 0.487 278 2HB PHE 62 2HB PHE 62 10.837 -14.200 -0.259 279 HD1 PHE 62 1HD PHE 62 8.154 -12.709 -2.300 280 HD2 PHE 62 2HD PHE 62 9.087 -15.343 0.893 281 HE1 PHE 62 1HE PHE 62 5.809 -13.600 -2.350 282 HE2 PHE 62 2HE PHE 62 6.741 -16.234 0.844 283 HZ PHE 62 HZ PHE 62 5.130 -15.352 -0.777 284 H GLU 63 H GLU 63 11.799 -10.685 -1.414 285 HA GLU 63 HA GLU 63 10.031 -8.533 -1.634 286 2HB GLU 63 2HB GLU 63 12.300 -9.228 -3.543 287 2HG GLU 63 2HG GLU 63 11.883 -6.450 -2.603 288 H ASP 64 H ASP 64 8.088 -8.585 -2.674 289 HA ASP 64 HA ASP 64 7.581 -10.568 -4.616 290 2HB ASP 64 2HB ASP 64 5.429 -9.035 -4.890 291 H ASP 65 H ASP 65 6.023 -9.240 -6.576 292 HA ASP 65 HA ASP 65 7.604 -7.082 -7.608 293 2HB ASP 65 2HB ASP 65 7.309 -8.693 -9.882 294 H VAL 66 H VAL 66 5.091 -9.615 -8.358 295 HA VAL 66 HA VAL 66 3.605 -7.996 -10.102 296 HB VAL 66 HB VAL 66 3.653 -10.631 -9.303 297 1HG1 VAL 66 1HG1 VAL 66 2.252 -10.287 -7.379 298 2HG1 VAL 66 2HG1 VAL 66 1.072 -9.362 -8.338 299 3HG1 VAL 66 3HG1 VAL 66 1.284 -11.106 -8.627 300 1HG2 VAL 66 1HG2 VAL 66 1.423 -10.594 -10.821 301 2HG2 VAL 66 2HG2 VAL 66 2.045 -8.963 -11.166 302 3HG2 VAL 66 3HG2 VAL 66 3.062 -10.388 -11.484 303 H VAL 67 H VAL 67 3.456 -8.615 -6.556 304 HA VAL 67 HA VAL 67 1.089 -7.089 -6.204 305 HB VAL 67 HB VAL 67 1.267 -7.670 -4.012 306 1HG1 VAL 67 1HG1 VAL 67 3.274 -9.698 -4.994 307 2HG1 VAL 67 2HG1 VAL 67 1.911 -9.916 -3.869 308 3HG1 VAL 67 3HG1 VAL 67 1.602 -9.681 -5.606 309 1HG2 VAL 67 1HG2 VAL 67 3.230 -6.355 -3.468 310 2HG2 VAL 67 2HG2 VAL 67 3.406 -7.989 -2.784 311 3HG2 VAL 67 3HG2 VAL 67 4.290 -7.544 -4.263 312 H ILE 68 H ILE 68 4.630 -6.459 -5.881 313 HA ILE 68 HA ILE 68 4.353 -3.870 -4.859 314 HB ILE 68 HB ILE 68 6.589 -5.110 -6.468 315 2HG1 ILE 68 2HG1 ILE 68 5.844 -6.319 -4.361 316 1HG2 ILE 68 1HG2 ILE 68 7.310 -2.976 -6.513 317 2HG2 ILE 68 2HG2 ILE 68 6.261 -2.474 -5.165 318 3HG2 ILE 68 3HG2 ILE 68 7.791 -3.322 -4.835 319 1HD1 ILE 68 1HD1 ILE 68 8.015 -6.977 -4.022 320 2HD1 ILE 68 2HD1 ILE 68 8.341 -5.935 -5.428 321 3HD1 ILE 68 3HD1 ILE 68 8.585 -5.309 -3.779 322 H GLU 69 H GLU 69 4.714 -5.121 -8.237 323 HA GLU 69 HA GLU 69 4.821 -2.683 -9.470 324 2HB GLU 69 2HB GLU 69 3.412 -4.309 -11.257 325 2HG GLU 69 2HG GLU 69 6.341 -4.835 -10.947 326 H PHE 70 H PHE 70 1.978 -4.634 -8.422 327 HA PHE 70 HA PHE 70 0.006 -3.147 -9.655 328 2HB PHE 70 2HB PHE 70 -1.116 -3.970 -7.267 329 HD1 PHE 70 1HD PHE 70 -1.790 -4.017 -10.133 330 HD2 PHE 70 2HD PHE 70 -0.296 -7.102 -7.629 331 HE1 PHE 70 1HE PHE 70 -2.846 -5.740 -11.623 332 HE2 PHE 70 2HE PHE 70 -1.351 -8.823 -9.119 333 HZ PHE 70 HZ PHE 70 -2.613 -8.122 -11.099 334 H ILE 71 H ILE 71 1.546 -2.728 -6.401 335 HA ILE 71 HA ILE 71 -0.073 -0.481 -5.767 336 HB ILE 71 HB ILE 71 2.492 -1.517 -4.555 337 2HG1 ILE 71 2HG1 ILE 71 -0.127 -2.604 -4.566 338 1HG2 ILE 71 1HG2 ILE 71 1.449 -0.228 -2.524 339 2HG2 ILE 71 2HG2 ILE 71 2.426 0.630 -3.738 340 3HG2 ILE 71 3HG2 ILE 71 0.650 0.722 -3.799 341 1HD1 ILE 71 1HD1 ILE 71 0.998 -4.407 -3.714 342 2HD1 ILE 71 2HD1 ILE 71 2.449 -3.437 -4.067 343 3HD1 ILE 71 3HD1 ILE 71 1.759 -3.442 -2.426 344 H PHE 72 H PHE 72 3.265 -0.977 -7.048 345 HA PHE 72 HA PHE 72 3.977 1.720 -7.025 346 2HB PHE 72 2HB PHE 72 4.883 -0.161 -9.219 347 HD1 PHE 72 1HD PHE 72 7.510 -0.676 -7.588 348 HD2 PHE 72 2HD PHE 72 5.329 2.819 -8.605 349 HE1 PHE 72 1HE PHE 72 9.617 0.679 -7.447 350 HE2 PHE 72 2HE PHE 72 7.437 4.175 -8.465 351 HZ PHE 72 HZ PHE 72 9.556 3.089 -7.888 352 H ASN 73 H ASN 73 2.546 -0.363 -9.628 353 HA ASN 73 HA ASN 73 2.558 1.622 -11.552 354 2HB ASN 73 2HB ASN 73 0.518 0.121 -12.434 355 1HD2 ASN 73 1HD2 ASN 73 3.377 -1.404 -10.971 356 2HD2 ASN 73 2HD2 ASN 73 4.228 -1.740 -12.442 357 H GLN 74 H GLN 74 0.155 0.568 -9.066 358 HA GLN 74 HA GLN 74 -1.876 2.277 -9.990 359 2HB GLN 74 2HB GLN 74 -2.747 1.787 -7.539 360 2HG GLN 74 2HG GLN 74 -3.856 0.612 -9.256 361 1HE2 GLN 74 1HE2 GLN 74 -2.204 -2.207 -9.390 362 2HE2 GLN 74 2HE2 GLN 74 -1.402 -2.066 -10.918 363 H LEU 75 H LEU 75 0.767 2.530 -7.580 364 HA LEU 75 HA LEU 75 -0.195 5.038 -6.577 365 2HB LEU 75 2HB LEU 75 2.111 4.992 -5.463 366 HG LEU 75 HG LEU 75 0.546 2.499 -4.825 367 1HD1 LEU 75 1HD1 LEU 75 2.600 2.866 -3.575 368 2HD1 LEU 75 2HD1 LEU 75 2.052 4.495 -3.112 369 3HD1 LEU 75 3HD1 LEU 75 1.181 3.060 -2.517 370 1HD2 LEU 75 1HD2 LEU 75 -0.792 4.114 -3.284 371 2HD2 LEU 75 2HD2 LEU 75 -0.318 5.354 -4.470 372 3HD2 LEU 75 3HD2 LEU 75 -1.257 3.936 -4.993 373 H GLU 76 H GLU 76 1.165 4.085 -9.489 374 HA GLU 76 HA GLU 76 2.922 6.332 -9.741 375 2HB GLU 76 2HB GLU 76 2.804 5.360 -12.257 376 2HG GLU 76 2HG GLU 76 4.278 3.376 -10.806 377 H VAL 77 H VAL 77 -0.395 5.955 -9.743 378 HA VAL 77 HA VAL 77 -0.797 7.918 -11.880 379 HB VAL 77 HB VAL 77 -3.021 7.186 -11.998 380 1HG1 VAL 77 1HG1 VAL 77 -2.426 5.330 -13.081 381 2HG1 VAL 77 2HG1 VAL 77 -0.875 5.330 -12.211 382 3HG1 VAL 77 3HG1 VAL 77 -2.271 4.454 -11.540 383 1HG2 VAL 77 1HG2 VAL 77 -4.246 6.495 -10.260 384 2HG2 VAL 77 2HG2 VAL 77 -3.116 5.167 -9.901 385 3HG2 VAL 77 3HG2 VAL 77 -2.819 6.792 -9.238 386 H LYS 78 H LYS 78 -3.143 9.128 -11.037 387 HA LYS 78 HA LYS 78 -2.149 10.606 -8.720 388 2HB LYS 78 2HB LYS 78 -3.736 12.361 -9.492 389 2HG LYS 78 2HG LYS 78 -1.245 11.888 -10.394 390 2HD LYS 78 2HD LYS 78 -2.727 12.020 -13.023 391 2HE LYS 78 2HE LYS 78 -0.241 10.446 -12.773 392 1HZ LYS 78 1HZ LYS 78 -1.442 12.411 -14.481 393 2HZ LYS 78 2HZ LYS 78 0.189 12.473 -14.414 394 3HZ LYS 78 3HZ LYS 78 -0.557 11.093 -14.867 395 H ASN 79 H ASN 79 -4.557 8.312 -9.764 396 HA ASN 79 HA ASN 79 -5.723 8.514 -7.124 397 2HB ASN 79 2HB ASN 79 -7.828 7.799 -8.968 398 1HD2 ASN 79 1HD2 ASN 79 -6.414 10.801 -7.659 399 2HD2 ASN 79 2HD2 ASN 79 -7.711 11.201 -6.581 400 HA PRO 80 HA PRO 80 -4.813 4.239 -8.225 401 2HB PRO 80 2HB PRO 80 -2.944 4.056 -6.893 402 2HG PRO 80 2HG PRO 80 -2.647 5.794 -5.407 403 2HD PRO 80 2HD PRO 80 -3.820 7.454 -6.480 404 H ASP 81 H ASP 81 -5.764 2.143 -7.800 405 HA ASP 81 HA ASP 81 -8.400 2.626 -6.691 406 2HB ASP 81 2HB ASP 81 -7.309 0.336 -8.395 407 H SER 82 H SER 82 -7.984 2.330 -4.418 408 HA SER 82 HA SER 82 -6.292 0.467 -3.358 409 2HB SER 82 2HB SER 82 -7.166 2.255 -1.991 410 HG SER 82 HG SER 82 -9.545 1.582 -3.102 411 H LYS 83 H LYS 83 -9.343 0.031 -4.959 412 HA LYS 83 HA LYS 83 -10.178 -2.307 -3.598 413 2HB LYS 83 2HB LYS 83 -11.801 -2.503 -5.377 414 2HG LYS 83 2HG LYS 83 -12.561 0.003 -5.472 415 2HD LYS 83 2HD LYS 83 -12.179 -1.694 -2.997 416 2HE LYS 83 2HE LYS 83 -13.387 1.112 -3.093 417 1HZ LYS 83 1HZ LYS 83 -13.672 -1.102 -1.233 418 2HZ LYS 83 2HZ LYS 83 -13.636 0.419 -0.638 419 3HZ LYS 83 3HZ LYS 83 -14.784 -0.008 -1.718 420 H MET 84 H MET 84 -8.401 -1.692 -6.697 421 HA MET 84 HA MET 84 -8.064 -4.439 -7.188 422 2HB MET 84 2HB MET 84 -6.037 -3.058 -8.581 423 2HG MET 84 2HG MET 84 -8.167 -2.740 -10.264 424 1HE MET 84 1HE MET 84 -8.027 -6.050 -8.561 425 2HE MET 84 2HE MET 84 -6.841 -7.033 -9.454 426 3HE MET 84 3HE MET 84 -6.284 -5.818 -8.278 427 H MET 85 H MET 85 -6.287 -1.996 -5.336 428 HA MET 85 HA MET 85 -3.814 -3.235 -5.316 429 2HB MET 85 2HB MET 85 -4.606 -1.891 -2.784 430 2HG MET 85 2HG MET 85 -2.248 -2.134 -3.824 431 1HE MET 85 1HE MET 85 -2.170 1.743 -5.491 432 2HE MET 85 2HE MET 85 -3.876 1.431 -5.894 433 3HE MET 85 3HE MET 85 -3.307 1.236 -4.219 434 H GLN 86 H GLN 86 -6.546 -3.411 -2.921 435 HA GLN 86 HA GLN 86 -5.214 -5.323 -1.356 436 2HB GLN 86 2HB GLN 86 -8.113 -5.392 -1.046 437 2HG GLN 86 2HG GLN 86 -6.565 -3.788 0.877 438 1HE2 GLN 86 1HE2 GLN 86 -9.076 -4.011 1.008 439 2HE2 GLN 86 2HE2 GLN 86 -9.662 -5.243 2.075 440 H ILE 87 H ILE 87 -7.507 -5.444 -4.094 441 HA ILE 87 HA ILE 87 -8.191 -8.154 -3.824 442 HB ILE 87 HB ILE 87 -8.358 -6.080 -5.962 443 2HG1 ILE 87 2HG1 ILE 87 -9.995 -6.639 -3.931 444 1HG2 ILE 87 1HG2 ILE 87 -7.697 -7.953 -7.281 445 2HG2 ILE 87 2HG2 ILE 87 -8.783 -9.046 -6.389 446 3HG2 ILE 87 3HG2 ILE 87 -9.461 -7.783 -7.443 447 1HD1 ILE 87 1HD1 ILE 87 -10.963 -4.928 -5.065 448 2HD1 ILE 87 2HD1 ILE 87 -10.292 -5.489 -6.615 449 3HD1 ILE 87 3HD1 ILE 87 -11.823 -6.167 -6.011 450 H ASN 88 H ASN 88 -5.527 -6.421 -5.508 451 HA ASN 88 HA ASN 88 -4.580 -8.767 -6.739 452 2HB ASN 88 2HB ASN 88 -2.399 -7.140 -6.781 453 1HD2 ASN 88 1HD2 ASN 88 -3.814 -4.812 -8.160 454 2HD2 ASN 88 2HD2 ASN 88 -4.307 -5.433 -9.699 455 H LEU 89 H LEU 89 -3.792 -6.835 -3.785 456 HA LEU 89 HA LEU 89 -1.483 -8.193 -3.046 457 2HB LEU 89 2HB LEU 89 -2.303 -7.386 -0.693 458 HG LEU 89 HG LEU 89 -1.976 -5.150 -2.681 459 1HD1 LEU 89 1HD1 LEU 89 -2.040 -5.315 0.124 460 2HD1 LEU 89 2HD1 LEU 89 -0.336 -5.038 -0.310 461 3HD1 LEU 89 3HD1 LEU 89 -1.593 -3.914 -0.878 462 1HD2 LEU 89 1HD2 LEU 89 -0.006 -7.299 -2.033 463 2HD2 LEU 89 2HD2 LEU 89 -0.270 -6.397 -3.545 464 3HD2 LEU 89 3HD2 LEU 89 0.581 -5.626 -2.185 465 H THR 90 H THR 90 -4.960 -8.803 -2.264 466 HA THR 90 HA THR 90 -4.515 -10.949 -0.536 467 HB THR 90 HB THR 90 -6.871 -10.429 -2.423 468 HG1 THR 90 1HG THR 90 -7.095 -8.669 -1.103 469 1HG2 THR 90 1HG2 THR 90 -6.388 -12.305 -0.216 470 2HG2 THR 90 2HG2 THR 90 -7.692 -11.163 0.192 471 3HG2 THR 90 3HG2 THR 90 -7.814 -12.168 -1.272 472 H GLY 91 H GLY 91 -4.119 -10.687 -3.993 473 1HA GLY 91 1HA GLY 91 -4.530 -13.429 -4.628 474 2HA GLY 91 2HA GLY 91 -3.705 -12.222 -5.594 475 H PHE 92 H PHE 92 -1.899 -11.581 -3.152 476 HA PHE 92 HA PHE 92 -0.163 -13.926 -3.482 477 2HB PHE 92 2HB PHE 92 1.261 -11.587 -2.587 478 HD1 PHE 92 1HD PHE 92 3.370 -11.805 -3.472 479 HD2 PHE 92 2HD PHE 92 0.053 -12.984 -5.841 480 HE1 PHE 92 1HE PHE 92 4.933 -12.564 -5.283 481 HE2 PHE 92 2HE PHE 92 1.616 -13.742 -7.652 482 HZ PHE 92 HZ PHE 92 4.038 -13.523 -7.351 483 H LEU 93 H LEU 93 -1.250 -11.293 -1.253 484 HA LEU 93 HA LEU 93 0.158 -12.290 0.972 485 2HB LEU 93 2HB LEU 93 -1.065 -10.692 2.231 486 HG LEU 93 HG LEU 93 -1.077 -9.279 -0.413 487 1HD1 LEU 93 1HD1 LEU 93 -0.494 -8.583 2.452 488 2HD1 LEU 93 2HD1 LEU 93 0.130 -7.573 1.126 489 3HD1 LEU 93 3HD1 LEU 93 -1.623 -7.823 1.304 490 1HD2 LEU 93 1HD2 LEU 93 1.513 -8.980 0.268 491 2HD2 LEU 93 2HD2 LEU 93 1.250 -10.658 0.800 492 3HD2 LEU 93 3HD2 LEU 93 0.929 -10.199 -0.890 493 H ASN 94 H ASN 94 -1.769 -12.460 3.027 494 HA ASN 94 HA ASN 94 -2.774 -15.087 2.407 495 2HB ASN 94 2HB ASN 94 -3.322 -15.026 4.953 496 1HD2 ASN 94 1HD2 ASN 94 -0.295 -13.355 4.710 497 2HD2 ASN 94 2HD2 ASN 94 0.764 -14.724 4.761 498 H GLY 95 H GLY 95 -3.812 -11.873 2.244 499 1HA GLY 95 1HA GLY 95 -6.005 -11.386 1.490 500 2HA GLY 95 2HA GLY 95 -6.637 -12.674 2.494 501 H LYS 96 H LYS 96 -5.760 -12.341 4.998 502 HA LYS 96 HA LYS 96 -7.147 -10.057 5.874 503 2HB LYS 96 2HB LYS 96 -6.270 -10.772 8.124 504 2HG LYS 96 2HG LYS 96 -7.841 -12.440 6.206 505 2HD LYS 96 2HD LYS 96 -8.127 -14.119 8.212 506 2HE LYS 96 2HE LYS 96 -6.455 -14.108 5.881 507 1HZ LYS 96 1HZ LYS 96 -4.935 -14.435 8.125 508 2HZ LYS 96 2HZ LYS 96 -5.163 -15.950 7.559 509 3HZ LYS 96 3HZ LYS 96 -4.507 -14.807 6.594 510 H ASN 97 H ASN 97 -3.717 -10.788 5.219 511 HA ASN 97 HA ASN 97 -2.702 -8.575 6.570 512 2HB ASN 97 2HB ASN 97 -1.118 -9.285 4.212 513 1HD2 ASN 97 1HD2 ASN 97 0.090 -11.471 5.939 514 2HD2 ASN 97 2HD2 ASN 97 1.010 -10.642 7.149 515 H ALA 98 H ALA 98 -4.136 -9.138 3.354 516 HA ALA 98 HA ALA 98 -3.153 -6.846 2.067 517 1HB ALA 98 1HB ALA 98 -4.086 -8.089 0.437 518 2HB ALA 98 2HB ALA 98 -5.070 -9.004 1.605 519 3HB ALA 98 3HB ALA 98 -5.660 -7.450 0.967 520 H ARG 99 H ARG 99 -6.019 -7.496 4.145 521 HA ARG 99 HA ARG 99 -7.178 -5.002 3.671 522 2HB ARG 99 2HB ARG 99 -7.989 -5.891 6.254 523 2HG ARG 99 2HG ARG 99 -9.116 -6.420 3.465 524 2HD ARG 99 2HD ARG 99 -10.142 -8.047 4.949 525 HE ARG 99 HE ARG 99 -9.771 -6.040 6.989 526 1HH1 ARG 99 2HH2 ARG 99 -11.934 -8.649 6.045 527 2HH1 ARG 99 1HH2 ARG 99 -12.468 -8.964 7.663 528 1HH2 ARG 99 2HH1 ARG 99 -10.474 -6.454 9.123 529 2HH2 ARG 99 1HH1 ARG 99 -11.632 -7.707 9.425 530 H GLU 100 H GLU 100 -4.886 -6.304 6.120 531 HA GLU 100 HA GLU 100 -4.969 -3.969 7.705 532 2HB GLU 100 2HB GLU 100 -2.710 -5.117 8.562 533 2HG GLU 100 2HG GLU 100 -5.423 -6.488 8.869 534 H PHE 101 H PHE 101 -2.962 -5.190 5.004 535 HA PHE 101 HA PHE 101 -0.879 -3.349 5.250 536 2HB PHE 101 2HB PHE 101 -2.197 -4.898 2.952 537 HD1 PHE 101 1HD PHE 101 -2.080 -3.068 1.292 538 HD2 PHE 101 2HD PHE 101 1.395 -4.500 3.262 539 HE1 PHE 101 1HE PHE 101 -0.642 -1.970 -0.448 540 HE2 PHE 101 2HE PHE 101 2.834 -3.402 1.522 541 HZ PHE 101 HZ PHE 101 1.798 -2.149 -0.311 542 H MET 102 H MET 102 -3.905 -3.291 3.243 543 HA MET 102 HA MET 102 -3.319 -0.798 2.127 544 2HB MET 102 2HB MET 102 -6.056 -1.000 1.932 545 2HG MET 102 2HG MET 102 -4.796 -3.080 0.271 546 1HE MET 102 1HE MET 102 -4.182 0.279 -0.540 547 2HE MET 102 2HE MET 102 -4.718 0.013 -2.216 548 3HE MET 102 3HE MET 102 -5.665 1.063 -1.134 549 H GLY 103 H GLY 103 -4.943 -1.842 5.124 550 1HA GLY 103 1HA GLY 103 -6.115 0.725 5.677 551 2HA GLY 103 2HA GLY 103 -6.030 -0.670 6.736 552 H GLU 104 H GLU 104 -2.957 0.053 5.344 553 HA GLU 104 HA GLU 104 -2.278 1.680 7.664 554 2HB GLU 104 2HB GLU 104 0.002 0.391 7.536 555 2HG GLU 104 2HG GLU 104 -1.792 -1.659 8.513 556 H LEU 105 H LEU 105 -1.916 0.871 4.246 557 HA LEU 105 HA LEU 105 0.119 2.939 3.931 558 2HB LEU 105 2HB LEU 105 -0.463 0.443 2.663 559 HG LEU 105 HG LEU 105 0.066 1.127 0.328 560 1HD1 LEU 105 1HD1 LEU 105 -2.399 0.872 1.568 561 2HD1 LEU 105 2HD1 LEU 105 -2.564 2.355 0.598 562 3HD1 LEU 105 3HD1 LEU 105 -2.081 0.830 -0.182 563 1HD2 LEU 105 1HD2 LEU 105 0.438 3.646 1.394 564 2HD2 LEU 105 2HD2 LEU 105 0.324 3.241 -0.335 565 3HD2 LEU 105 3HD2 LEU 105 -1.121 3.790 0.548 566 H TRP 106 H TRP 106 -3.264 2.079 3.122 567 HA TRP 106 HA TRP 106 -3.735 4.164 1.330 568 2HB TRP 106 2HB TRP 106 -5.809 3.046 3.198 569 HD1 TRP 106 HD TRP 106 -7.933 4.390 2.487 570 HE1 TRP 106 1HE TRP 106 -9.085 5.240 0.270 571 HE3 TRP 106 3HE TRP 106 -4.229 2.866 -0.646 572 HZ2 TRP 106 2HZ TRP 106 -8.335 5.181 -2.483 573 HZ3 TRP 106 3HZ TRP 106 -4.517 3.300 -3.084 574 HH2 TRP 106 HH TRP 106 -6.483 4.416 -4.015 575 HA PRO 107 HA PRO 107 -4.830 6.534 5.309 576 2HB PRO 107 2HB PRO 107 -5.522 5.288 7.117 577 2HG PRO 107 2HG PRO 107 -4.901 3.067 7.051 578 2HD PRO 107 2HD PRO 107 -4.639 2.785 4.784 579 H LEU 108 H LEU 108 -1.747 5.012 5.009 580 HA LEU 108 HA LEU 108 -0.234 6.940 6.319 581 2HB LEU 108 2HB LEU 108 1.078 5.798 3.997 582 HG LEU 108 HG LEU 108 1.714 6.263 6.698 583 1HD1 LEU 108 1HD1 LEU 108 2.633 4.026 7.369 584 2HD1 LEU 108 2HD1 LEU 108 0.857 4.153 7.409 585 3HD1 LEU 108 3HD1 LEU 108 1.659 3.304 6.066 586 1HD2 LEU 108 1HD2 LEU 108 3.818 6.231 5.906 587 2HD2 LEU 108 2HD2 LEU 108 3.618 4.645 5.122 588 3HD2 LEU 108 3HD2 LEU 108 3.017 6.118 4.322 589 H LEU 109 H LEU 109 -1.459 6.747 2.934 590 HA LEU 109 HA LEU 109 -0.115 9.121 2.144 591 2HB LEU 109 2HB LEU 109 -1.248 8.864 0.089 592 HG LEU 109 HG LEU 109 -0.511 6.230 1.328 593 1HD1 LEU 109 1HD1 LEU 109 -0.858 5.211 -0.975 594 2HD1 LEU 109 2HD1 LEU 109 -2.319 5.510 -0.003 595 3HD1 LEU 109 3HD1 LEU 109 -1.892 6.617 -1.330 596 1HD2 LEU 109 1HD2 LEU 109 0.617 8.046 -0.792 597 2HD2 LEU 109 2HD2 LEU 109 1.385 7.414 0.685 598 3HD2 LEU 109 3HD2 LEU 109 1.090 6.332 -0.697 599 H LEU 110 H LEU 110 -3.245 8.309 3.628 600 HA LEU 110 HA LEU 110 -4.630 10.625 3.071 601 2HB LEU 110 2HB LEU 110 -5.559 10.029 5.509 602 HG LEU 110 HG LEU 110 -7.192 9.590 4.005 603 1HD1 LEU 110 1HD1 LEU 110 -4.989 8.505 2.294 604 2HD1 LEU 110 2HD1 LEU 110 -6.672 8.053 1.933 605 3HD1 LEU 110 3HD1 LEU 110 -6.196 9.768 1.948 606 1HD2 LEU 110 1HD2 LEU 110 -7.957 7.485 4.350 607 2HD2 LEU 110 2HD2 LEU 110 -6.417 6.723 3.888 608 3HD2 LEU 110 3HD2 LEU 110 -6.598 7.451 5.501 609 H SER 111 H SER 111 -2.233 9.917 5.676 610 HA SER 111 HA SER 111 -2.534 12.524 6.755 611 2HB SER 111 2HB SER 111 -0.090 11.401 7.665 612 HG SER 111 HG SER 111 -2.266 10.628 9.179 613 H ALA 112 H ALA 112 -0.429 10.864 4.407 614 HA ALA 112 HA ALA 112 1.638 12.768 4.370 615 1HB ALA 112 1HB ALA 112 2.308 11.634 2.331 616 2HB ALA 112 2HB ALA 112 1.724 10.415 3.490 617 3HB ALA 112 3HB ALA 112 0.684 10.930 2.140 618 H GLN 113 H GLN 113 -1.390 12.355 2.429 619 HA GLN 113 HA GLN 113 -0.895 14.492 0.742 620 2HB GLN 113 2HB GLN 113 -2.588 12.749 0.294 621 2HG GLN 113 2HG GLN 113 -3.949 14.019 2.701 622 1HE2 GLN 113 1HE2 GLN 113 -4.496 11.438 0.305 623 2HE2 GLN 113 2HE2 GLN 113 -6.174 11.757 0.017 624 H GLU 114 H GLU 114 -1.590 14.422 4.108 625 HA GLU 114 HA GLU 114 -2.878 16.998 4.072 626 2HB GLU 114 2HB GLU 114 -2.885 16.645 6.605 627 2HG GLU 114 2HG GLU 114 -4.184 14.186 5.886 628 H ASN 115 H ASN 115 0.284 15.739 3.994 629 HA ASN 115 HA ASN 115 1.417 17.775 5.656 630 2HB ASN 115 2HB ASN 115 3.360 16.431 3.943 631 1HD2 ASN 115 1HD2 ASN 115 1.819 15.303 6.924 632 2HD2 ASN 115 2HD2 ASN 115 3.106 15.701 8.012 633 H ILE 116 H ILE 116 3.792 18.332 4.065 634 HA ILE 116 HA ILE 116 2.579 19.866 1.874 635 HB ILE 116 HB ILE 116 3.621 21.015 3.941 636 2HG1 ILE 116 2HG1 ILE 116 3.935 22.912 2.680 637 1HG2 ILE 116 1HG2 ILE 116 6.099 20.113 2.458 638 2HG2 ILE 116 2HG2 ILE 116 6.076 21.476 3.603 639 3HG2 ILE 116 3HG2 ILE 116 5.671 19.837 4.164 640 1HD1 ILE 116 1HD1 ILE 116 5.390 21.064 0.792 641 2HD1 ILE 116 2HD1 ILE 116 4.689 22.567 0.146 642 3HD1 ILE 116 3HD1 ILE 116 5.899 22.638 1.449 643 H ALA 117 H ALA 117 5.409 17.900 2.942 644 HA ALA 117 HA ALA 117 6.413 17.831 0.232 645 1HB ALA 117 1HB ALA 117 8.169 16.368 1.337 646 2HB ALA 117 2HB ALA 117 8.035 18.014 2.000 647 3HB ALA 117 3HB ALA 117 7.321 16.639 2.878 648 H GLY 118 H GLY 118 3.823 16.440 1.716 649 1HA GLY 118 1HA GLY 118 2.533 14.680 1.161 650 2HA GLY 118 2HA GLY 118 3.593 14.364 -0.199 651 H ILE 119 H ILE 119 4.499 14.490 3.297 652 HA ILE 119 HA ILE 119 5.145 11.630 3.087 653 HB ILE 119 HB ILE 119 6.740 13.951 3.946 654 2HG1 ILE 119 2HG1 ILE 119 7.256 11.214 2.781 655 1HG2 ILE 119 1HG2 ILE 119 6.273 12.926 6.130 656 2HG2 ILE 119 2HG2 ILE 119 6.868 11.364 5.520 657 3HG2 ILE 119 3HG2 ILE 119 7.980 12.746 5.658 658 1HD1 ILE 119 1HD1 ILE 119 8.547 13.367 1.425 659 2HD1 ILE 119 2HD1 ILE 119 7.161 12.405 0.860 660 3HD1 ILE 119 3HD1 ILE 119 6.887 13.908 1.772 661 HA PRO 120 HA PRO 120 2.449 11.249 6.451 662 2HB PRO 120 2HB PRO 120 1.902 9.096 5.847 663 2HG PRO 120 2HG PRO 120 3.427 8.070 4.453 664 2HD PRO 120 2HD PRO 120 4.407 9.914 3.491 665 H SER 121 H SER 121 2.262 11.250 8.730 666 HA SER 121 HA SER 121 4.521 12.328 9.906 667 2HB SER 121 2HB SER 121 2.052 12.557 10.602 668 HG SER 121 HG SER 121 1.427 10.407 10.920 669 H ALA 122 H ALA 122 3.652 9.053 9.200 670 HA ALA 122 HA ALA 122 4.779 7.706 11.364 671 1HB ALA 122 1HB ALA 122 5.060 5.884 9.511 672 2HB ALA 122 2HB ALA 122 3.421 6.441 9.925 673 3HB ALA 122 3HB ALA 122 4.227 7.057 8.463 674 H PHE 123 H PHE 123 6.191 9.377 8.572 675 HA PHE 123 HA PHE 123 8.802 8.249 9.215 676 2HB PHE 123 2HB PHE 123 9.393 9.325 7.026 677 HD1 PHE 123 1HD PHE 123 7.599 9.172 4.711 678 HD2 PHE 123 2HD PHE 123 7.738 6.767 8.205 679 HE1 PHE 123 1HE PHE 123 6.583 7.263 3.438 680 HE2 PHE 123 2HE PHE 123 6.721 4.858 6.931 681 HZ PHE 123 HZ PHE 123 6.156 5.129 4.562 682 H LEU 124 H LEU 124 6.944 11.321 9.110 683 HA LEU 124 HA LEU 124 9.010 13.095 9.487 684 2HB LEU 124 2HB LEU 124 7.325 14.589 10.397 685 HG LEU 124 HG LEU 124 6.187 12.876 8.171 686 1HD1 LEU 124 1HD1 LEU 124 5.099 15.204 9.607 687 2HD1 LEU 124 2HD1 LEU 124 5.101 15.356 7.834 688 3HD1 LEU 124 3HD1 LEU 124 4.285 13.977 8.608 689 1HD2 LEU 124 1HD2 LEU 124 8.247 13.777 7.433 690 2HD2 LEU 124 2HD2 LEU 124 6.976 14.821 6.753 691 3HD2 LEU 124 3HD2 LEU 124 7.908 15.361 8.170 692 H GLU 125 H GLU 125 6.850 11.851 12.135 693 HA GLU 125 HA GLU 125 8.365 12.754 14.185 694 2HB GLU 125 2HB GLU 125 6.615 10.274 13.967 695 2HG GLU 125 2HG GLU 125 8.012 11.513 16.367 696 H LEU 126 H LEU 126 8.318 9.240 13.242 697 HA LEU 126 HA LEU 126 10.687 8.654 14.578 698 2HB LEU 126 2HB LEU 126 10.605 6.657 12.873 699 HG LEU 126 HG LEU 126 8.484 7.166 14.969 700 1HD1 LEU 126 1HD1 LEU 126 8.572 5.097 12.929 701 2HD1 LEU 126 2HD1 LEU 126 8.622 4.415 14.572 702 3HD1 LEU 126 3HD1 LEU 126 7.294 5.502 14.100 703 1HD2 LEU 126 1HD2 LEU 126 10.509 6.956 16.079 704 2HD2 LEU 126 2HD2 LEU 126 9.878 5.291 16.095 705 3HD2 LEU 126 3HD2 LEU 126 11.138 5.755 14.927 706 H LYS 127 H LYS 127 12.603 9.644 14.200 707 HA LYS 127 HA LYS 127 13.231 10.686 11.630 708 2HB LYS 127 2HB LYS 127 15.563 10.592 13.209 709 2HG LYS 127 2HG LYS 127 14.309 12.461 11.781 710 2HD LYS 127 2HD LYS 127 13.541 13.284 14.611 711 2HE LYS 127 2HE LYS 127 11.890 14.559 12.776 712 1HZ LYS 127 1HZ LYS 127 14.452 15.756 13.405 713 2HZ LYS 127 2HZ LYS 127 12.952 16.390 13.527 714 3HZ LYS 127 3HZ LYS 127 13.488 15.336 14.654 715 H LYS 128 H LYS 128 12.663 8.370 10.716 716 HA LYS 128 HA LYS 128 14.533 6.316 11.048 717 2HB LYS 128 2HB LYS 128 13.509 5.715 8.669 718 2HG LYS 128 2HG LYS 128 11.325 5.098 10.045 719 2HD LYS 128 2HD LYS 128 14.090 4.048 10.107 720 2HE LYS 128 2HE LYS 128 12.217 2.876 12.171 721 1HZ LYS 128 1HZ LYS 128 15.136 2.993 11.851 722 2HZ LYS 128 2HZ LYS 128 14.361 2.239 13.076 723 3HZ LYS 128 3HZ LYS 128 14.186 1.701 11.543 724 H GLU 129 H GLU 129 15.681 5.480 8.821 725 HA GLU 129 HA GLU 129 17.800 7.253 8.509 726 2HB GLU 129 2HB GLU 129 17.016 4.829 6.830 727 2HG GLU 129 2HG GLU 129 19.731 6.179 7.204 728 H GLU 130 H GLU 130 17.469 9.247 7.571 729 HA GLU 130 HA GLU 130 15.594 9.580 5.499 730 2HB GLU 130 2HB GLU 130 17.614 11.706 5.718 731 2HG GLU 130 2HG GLU 130 15.110 11.765 4.954 732 H ILE 131 H ILE 131 15.878 8.884 3.428 733 HA ILE 131 HA ILE 131 18.602 9.075 2.343 734 HB ILE 131 HB ILE 131 16.514 6.935 1.959 735 2HG1 ILE 131 2HG1 ILE 131 18.223 5.437 2.801 736 1HG2 ILE 131 1HG2 ILE 131 18.830 6.228 0.539 737 2HG2 ILE 131 2HG2 ILE 131 17.229 6.642 -0.121 738 3HG2 ILE 131 3HG2 ILE 131 18.467 7.907 0.067 739 1HD1 ILE 131 1HD1 ILE 131 20.174 6.862 1.910 740 2HD1 ILE 131 2HD1 ILE 131 19.943 7.891 3.345 741 3HD1 ILE 131 3HD1 ILE 131 20.384 6.177 3.541 742 H LYS 132 H LYS 132 17.679 11.360 1.949 743 HA LYS 132 HA LYS 132 15.684 11.507 -0.111 744 2HB LYS 132 2HB LYS 132 17.320 13.883 0.603 745 2HG LYS 132 2HG LYS 132 14.452 13.145 0.035 746 2HD LYS 132 2HD LYS 132 15.365 15.175 2.017 747 2HE LYS 132 2HE LYS 132 13.071 15.915 0.170 748 1HZ LYS 132 1HZ LYS 132 13.213 17.029 2.246 749 2HZ LYS 132 2HZ LYS 132 14.793 17.387 2.040 750 3HZ LYS 132 3HZ LYS 132 13.666 18.086 1.087 751 H GLN 133 H GLN 133 16.063 12.495 -2.239 752 HA GLN 133 HA GLN 133 18.664 12.889 -3.164 753 2HB GLN 133 2HB GLN 133 18.807 10.421 -2.995 754 2HG GLN 133 2HG GLN 133 16.174 10.624 -4.367 755 1HE2 GLN 133 1HE2 GLN 133 15.360 8.782 -5.569 756 2HE2 GLN 133 2HE2 GLN 133 16.364 8.003 -6.748 757 H ARG 134 H ARG 134 18.668 13.687 -5.379 758 HA ARG 134 HA ARG 134 17.753 15.017 -6.852 759 2HB ARG 134 2HB ARG 134 15.736 12.805 -7.403 760 2HG ARG 134 2HG ARG 134 17.202 14.915 -8.964 761 2HD ARG 134 2HD ARG 134 16.808 13.598 -11.078 762 HE ARG 134 HE ARG 134 18.905 13.041 -9.161 763 1HH1 ARG 134 2HH2 ARG 134 17.567 11.937 -12.224 764 2HH1 ARG 134 1HH2 ARG 134 19.061 11.257 -12.778 765 1HH2 ARG 134 2HH1 ARG 134 20.876 12.143 -9.891 766 2HH2 ARG 134 1HH1 ARG 134 20.956 11.375 -11.442 Start of MODEL 16 1 1H SER 24 H SER 24 -9.068 -11.955 -14.869 2 HA SER 24 HA SER 24 -8.758 -10.092 -13.800 3 2HB SER 24 2HB SER 24 -10.212 -9.453 -11.915 4 HG SER 24 HG SER 24 -11.169 -9.677 -14.109 5 H HIS 25 H HIS 25 -7.386 -12.813 -13.059 6 HA HIS 25 HA HIS 25 -5.646 -13.387 -11.845 7 2HB HIS 25 2HB HIS 25 -5.068 -11.297 -10.069 8 HD1 HIS 25 1HD HIS 25 -4.546 -12.014 -13.812 9 HD2 HIS 25 2HD HIS 25 -2.357 -11.265 -10.314 10 HE1 HIS 25 1HE HIS 25 -2.083 -12.184 -14.459 11 H MET 26 H MET 26 -7.833 -11.350 -9.770 12 HA MET 26 HA MET 26 -8.761 -13.580 -8.382 13 2HB MET 26 2HB MET 26 -6.320 -13.277 -7.493 14 2HG MET 26 2HG MET 26 -6.003 -11.530 -5.798 15 1HE MET 26 1HE MET 26 -4.344 -11.698 -7.989 16 2HE MET 26 2HE MET 26 -4.050 -10.054 -8.607 17 3HE MET 26 3HE MET 26 -4.123 -10.345 -6.853 18 H GLN 27 H GLN 27 -10.571 -13.033 -7.086 19 HA GLN 27 HA GLN 27 -11.040 -10.166 -6.848 20 2HB GLN 27 2HB GLN 27 -13.496 -10.688 -7.287 21 2HG GLN 27 2HG GLN 27 -13.115 -11.089 -9.805 22 1HE2 GLN 27 1HE2 GLN 27 -10.227 -9.441 -9.357 23 2HE2 GLN 27 2HE2 GLN 27 -10.808 -7.810 -9.303 24 H LEU 28 H LEU 28 -12.011 -9.477 -4.900 25 HA LEU 28 HA LEU 28 -13.266 -11.278 -3.131 26 2HB LEU 28 2HB LEU 28 -11.224 -12.227 -2.596 27 HG LEU 28 HG LEU 28 -9.202 -10.983 -1.917 28 1HD1 LEU 28 1HD1 LEU 28 -9.719 -11.866 -4.307 29 2HD1 LEU 28 2HD1 LEU 28 -9.820 -10.142 -4.735 30 3HD1 LEU 28 3HD1 LEU 28 -8.316 -10.802 -4.048 31 1HD2 LEU 28 1HD2 LEU 28 -10.648 -8.818 -1.557 32 2HD2 LEU 28 2HD2 LEU 28 -8.938 -8.706 -2.039 33 3HD2 LEU 28 3HD2 LEU 28 -10.221 -8.505 -3.257 34 H LYS 29 H LYS 29 -12.917 -9.929 -0.711 35 HA LYS 29 HA LYS 29 -13.955 -7.295 -1.459 36 2HB LYS 29 2HB LYS 29 -14.480 -9.164 0.842 37 2HG LYS 29 2HG LYS 29 -15.247 -6.210 0.701 38 2HD LYS 29 2HD LYS 29 -15.701 -8.373 2.811 39 2HE LYS 29 2HE LYS 29 -15.448 -5.524 3.103 40 1HZ LYS 29 1HZ LYS 29 -17.515 -4.802 3.367 41 2HZ LYS 29 2HZ LYS 29 -17.973 -6.059 2.429 42 3HZ LYS 29 3HZ LYS 29 -18.055 -6.181 4.056 43 H PHE 30 H PHE 30 -13.346 -5.433 -0.088 44 HA PHE 30 HA PHE 30 -10.658 -5.823 1.031 45 2HB PHE 30 2HB PHE 30 -10.226 -4.406 -0.790 46 HD1 PHE 30 1HD PHE 30 -13.147 -2.371 0.198 47 HD2 PHE 30 2HD PHE 30 -11.466 -4.925 -2.745 48 HE1 PHE 30 1HE PHE 30 -14.984 -1.747 -1.394 49 HE2 PHE 30 2HE PHE 30 -13.303 -4.300 -4.337 50 HZ PHE 30 HZ PHE 30 -15.040 -2.718 -3.643 51 H ALA 31 H ALA 31 -10.271 -3.341 2.201 52 HA ALA 31 HA ALA 31 -11.991 -3.577 4.484 53 1HB ALA 31 1HB ALA 31 -10.229 -1.257 4.451 54 2HB ALA 31 2HB ALA 31 -10.201 -2.684 5.515 55 3HB ALA 31 3HB ALA 31 -9.361 -2.727 3.946 56 H GLU 32 H GLU 32 -12.285 -0.942 5.359 57 HA GLU 32 HA GLU 32 -14.170 0.018 3.360 58 2HB GLU 32 2HB GLU 32 -15.082 -0.658 5.602 59 2HG GLU 32 2HG GLU 32 -13.658 1.829 6.640 60 H CYS 33 H CYS 33 -11.652 1.060 5.740 61 HA CYS 33 HA CYS 33 -11.686 3.735 5.319 62 2HB CYS 33 2HB CYS 33 -9.111 3.526 5.720 63 HG CYS 33 HG CYS 33 -10.665 1.883 8.029 64 H LEU 34 H LEU 34 -10.808 1.133 3.127 65 HA LEU 34 HA LEU 34 -9.050 2.432 1.432 66 2HB LEU 34 2HB LEU 34 -9.651 0.766 -0.189 67 HG LEU 34 HG LEU 34 -10.162 -0.890 2.219 68 1HD1 LEU 34 1HD1 LEU 34 -8.907 -2.446 1.138 69 2HD1 LEU 34 2HD1 LEU 34 -9.426 -1.489 -0.272 70 3HD1 LEU 34 3HD1 LEU 34 -7.808 -1.238 0.428 71 1HD2 LEU 34 1HD2 LEU 34 -7.775 0.933 1.983 72 2HD2 LEU 34 2HD2 LEU 34 -8.828 0.629 3.385 73 3HD2 LEU 34 3HD2 LEU 34 -7.682 -0.621 2.844 74 H GLU 35 H GLU 35 -12.388 3.074 2.118 75 HA GLU 35 HA GLU 35 -12.778 4.367 -0.428 76 2HB GLU 35 2HB GLU 35 -15.074 4.603 0.220 77 2HG GLU 35 2HG GLU 35 -14.690 2.107 1.774 78 H LYS 36 H LYS 36 -10.636 5.397 1.232 79 HA LYS 36 HA LYS 36 -11.791 7.926 2.163 80 2HB LYS 36 2HB LYS 36 -9.456 8.115 3.262 81 2HG LYS 36 2HG LYS 36 -10.495 5.953 4.785 82 2HD LYS 36 2HD LYS 36 -11.594 8.736 5.124 83 2HE LYS 36 2HE LYS 36 -10.086 6.933 7.067 84 1HZ LYS 36 1HZ LYS 36 -10.619 9.369 7.474 85 2HZ LYS 36 2HZ LYS 36 -12.170 8.890 7.652 86 3HZ LYS 36 3HZ LYS 36 -11.014 8.299 8.643 87 H LYS 37 H LYS 37 -10.414 6.493 -0.536 88 HA LYS 37 HA LYS 37 -9.335 7.234 -2.320 89 2HB LYS 37 2HB LYS 37 -9.859 9.636 -2.974 90 2HG LYS 37 2HG LYS 37 -11.469 7.318 -2.900 91 2HD LYS 37 2HD LYS 37 -12.659 9.360 -1.235 92 2HE LYS 37 2HE LYS 37 -14.172 8.740 -3.818 93 1HZ LYS 37 1HZ LYS 37 -14.929 9.964 -1.279 94 2HZ LYS 37 2HZ LYS 37 -15.687 10.397 -2.659 95 3HZ LYS 37 3HZ LYS 37 -15.734 8.845 -2.155 96 H VAL 38 H VAL 38 -7.668 8.997 -3.170 97 HA VAL 38 HA VAL 38 -6.068 10.118 -1.054 98 HB VAL 38 HB VAL 38 -4.087 8.877 -1.515 99 1HG1 VAL 38 1HG1 VAL 38 -4.695 6.660 -0.702 100 2HG1 VAL 38 2HG1 VAL 38 -5.672 7.904 0.116 101 3HG1 VAL 38 3HG1 VAL 38 -6.388 6.922 -1.185 102 1HG2 VAL 38 1HG2 VAL 38 -3.826 7.215 -3.172 103 2HG2 VAL 38 2HG2 VAL 38 -5.579 7.115 -3.469 104 3HG2 VAL 38 3HG2 VAL 38 -4.668 8.554 -3.988 105 H ASP 39 H ASP 39 -3.701 10.402 -2.725 106 HA ASP 39 HA ASP 39 -4.359 11.316 -5.252 107 2HB ASP 39 2HB ASP 39 -3.758 13.672 -3.465 108 H MET 40 H MET 40 -2.332 10.407 -5.848 109 HA MET 40 HA MET 40 -0.039 10.685 -4.301 110 2HB MET 40 2HB MET 40 1.095 9.784 -6.358 111 2HG MET 40 2HG MET 40 -0.591 7.852 -6.825 112 1HE MET 40 1HE MET 40 -1.238 9.209 -3.570 113 2HE MET 40 2HE MET 40 -0.788 7.840 -2.525 114 3HE MET 40 3HE MET 40 0.332 9.207 -2.732 115 H SER 41 H SER 41 -1.621 12.830 -6.574 116 HA SER 41 HA SER 41 0.703 14.242 -7.314 117 2HB SER 41 2HB SER 41 -2.199 15.179 -7.377 118 HG SER 41 HG SER 41 0.244 16.096 -8.514 119 H LYS 42 H LYS 42 -0.924 13.944 -4.375 120 HA LYS 42 HA LYS 42 -0.102 16.645 -3.560 121 2HB LYS 42 2HB LYS 42 -1.915 16.788 -2.102 122 2HG LYS 42 2HG LYS 42 -3.938 16.018 -3.446 123 2HD LYS 42 2HD LYS 42 -2.311 17.158 -5.601 124 2HE LYS 42 2HE LYS 42 -4.858 17.435 -4.886 125 1HZ LYS 42 1HZ LYS 42 -3.899 18.498 -2.739 126 2HZ LYS 42 2HZ LYS 42 -3.830 19.850 -3.654 127 3HZ LYS 42 3HZ LYS 42 -5.259 19.094 -3.421 128 H VAL 43 H VAL 43 -0.187 13.136 -2.833 129 HA VAL 43 HA VAL 43 1.765 13.649 -0.699 130 HB VAL 43 HB VAL 43 0.246 12.490 0.456 131 1HG1 VAL 43 1HG1 VAL 43 -0.779 11.180 -2.085 132 2HG1 VAL 43 2HG1 VAL 43 -1.543 11.126 -0.479 133 3HG1 VAL 43 3HG1 VAL 43 -1.429 12.669 -1.358 134 1HG2 VAL 43 1HG2 VAL 43 2.063 10.900 0.376 135 2HG2 VAL 43 2HG2 VAL 43 0.522 10.010 0.331 136 3HG2 VAL 43 3HG2 VAL 43 1.468 10.229 -1.161 137 H ASN 44 H ASN 44 3.626 12.192 -0.569 138 HA ASN 44 HA ASN 44 4.483 11.511 -3.226 139 2HB ASN 44 2HB ASN 44 6.614 10.866 -1.625 140 1HD2 ASN 44 1HD2 ASN 44 8.172 12.739 -1.301 141 2HD2 ASN 44 2HD2 ASN 44 8.161 13.992 -2.496 142 H LEU 45 H LEU 45 4.468 9.371 -3.956 143 HA LEU 45 HA LEU 45 3.729 7.324 -2.039 144 2HB LEU 45 2HB LEU 45 2.897 7.861 -4.559 145 HG LEU 45 HG LEU 45 3.539 6.107 -6.052 146 1HD1 LEU 45 1HD1 LEU 45 5.177 8.257 -5.409 147 2HD1 LEU 45 2HD1 LEU 45 6.295 6.876 -5.520 148 3HD1 LEU 45 3HD1 LEU 45 5.235 7.276 -6.893 149 1HD2 LEU 45 1HD2 LEU 45 4.468 4.197 -5.411 150 2HD2 LEU 45 2HD2 LEU 45 5.895 5.046 -4.771 151 3HD2 LEU 45 3HD2 LEU 45 4.465 4.803 -3.738 152 H GLU 46 H GLU 46 6.520 8.574 -3.757 153 HA GLU 46 HA GLU 46 8.030 6.279 -3.897 154 2HB GLU 46 2HB GLU 46 9.773 8.472 -3.308 155 2HG GLU 46 2HG GLU 46 9.547 8.426 -6.054 156 H VAL 47 H VAL 47 7.451 8.579 -1.200 157 HA VAL 47 HA VAL 47 9.440 7.484 0.489 158 HB VAL 47 HB VAL 47 8.159 8.744 2.242 159 1HG1 VAL 47 1HG1 VAL 47 8.482 10.749 0.105 160 2HG1 VAL 47 2HG1 VAL 47 9.303 10.601 1.677 161 3HG1 VAL 47 3HG1 VAL 47 9.862 9.639 0.286 162 1HG2 VAL 47 1HG2 VAL 47 6.078 9.479 1.905 163 2HG2 VAL 47 2HG2 VAL 47 6.546 10.284 0.388 164 3HG2 VAL 47 3HG2 VAL 47 6.065 8.570 0.375 165 H ILE 48 H ILE 48 6.569 6.188 -0.746 166 HA ILE 48 HA ILE 48 6.191 4.534 1.649 167 HB ILE 48 HB ILE 48 4.207 4.507 -0.549 168 2HG1 ILE 48 2HG1 ILE 48 3.172 6.575 0.034 169 1HG2 ILE 48 1HG2 ILE 48 3.852 3.129 1.396 170 2HG2 ILE 48 2HG2 ILE 48 4.052 4.528 2.476 171 3HG2 ILE 48 3HG2 ILE 48 2.651 4.442 1.383 172 1HD1 ILE 48 1HD1 ILE 48 5.269 6.629 2.225 173 2HD1 ILE 48 2HD1 ILE 48 4.540 8.139 1.626 174 3HD1 ILE 48 3HD1 ILE 48 3.512 6.883 2.357 175 H LYS 49 H LYS 49 7.692 4.648 -1.388 176 HA LYS 49 HA LYS 49 7.142 2.169 -2.473 177 2HB LYS 49 2HB LYS 49 9.933 3.030 -2.744 178 2HG LYS 49 2HG LYS 49 8.882 1.589 -4.407 179 2HD LYS 49 2HD LYS 49 6.996 3.290 -5.685 180 2HE LYS 49 2HE LYS 49 5.492 1.481 -5.342 181 1HZ LYS 49 1HZ LYS 49 6.774 -0.150 -6.093 182 2HZ LYS 49 2HZ LYS 49 8.005 0.921 -6.027 183 3HZ LYS 49 3HZ LYS 49 7.780 -0.140 -4.807 184 HA PRO 50 HA PRO 50 10.516 0.519 0.407 185 2HB PRO 50 2HB PRO 50 12.195 1.974 1.012 186 2HG PRO 50 2HG PRO 50 11.657 4.206 0.803 187 2HD PRO 50 2HD PRO 50 9.998 4.080 -0.785 188 H TRP 51 H TRP 51 7.956 2.412 1.747 189 HA TRP 51 HA TRP 51 7.668 0.761 4.052 190 2HB TRP 51 2HB TRP 51 5.737 2.717 2.792 191 HD1 TRP 51 HD TRP 51 6.311 2.937 6.487 192 HE1 TRP 51 1HE TRP 51 4.263 2.056 7.897 193 HE3 TRP 51 3HE TRP 51 3.902 0.734 2.588 194 HZ2 TRP 51 2HZ TRP 51 1.917 0.570 7.240 195 HZ3 TRP 51 3HZ TRP 51 1.737 -0.410 3.059 196 HH2 TRP 51 HH TRP 51 0.743 -0.514 5.289 197 H ILE 52 H ILE 52 6.189 1.025 0.768 198 HA ILE 52 HA ILE 52 4.328 -1.075 1.268 199 HB ILE 52 HB ILE 52 5.106 0.671 -1.002 200 2HG1 ILE 52 2HG1 ILE 52 2.997 0.498 0.854 201 1HG2 ILE 52 1HG2 ILE 52 5.145 -1.142 -2.379 202 2HG2 ILE 52 2HG2 ILE 52 4.102 -2.118 -1.319 203 3HG2 ILE 52 3HG2 ILE 52 3.390 -0.849 -2.345 204 1HD1 ILE 52 1HD1 ILE 52 2.349 2.564 -0.098 205 2HD1 ILE 52 2HD1 ILE 52 4.085 2.476 -0.479 206 3HD1 ILE 52 3HD1 ILE 52 2.881 2.084 -1.729 207 H THR 53 H THR 53 7.411 -0.768 -0.623 208 HA THR 53 HA THR 53 7.512 -3.419 -1.460 209 HB THR 53 HB THR 53 9.743 -1.413 -0.832 210 HG1 THR 53 1HG THR 53 7.694 -1.225 -2.443 211 1HG2 THR 53 1HG2 THR 53 9.617 -3.977 -2.482 212 2HG2 THR 53 2HG2 THR 53 10.773 -2.681 -2.869 213 3HG2 THR 53 3HG2 THR 53 10.850 -3.499 -1.291 214 H LYS 54 H LYS 54 8.481 -1.905 1.633 215 HA LYS 54 HA LYS 54 9.760 -4.285 2.551 216 2HB LYS 54 2HB LYS 54 8.886 -1.777 4.015 217 2HG LYS 54 2HG LYS 54 11.040 -3.729 4.879 218 2HD LYS 54 2HD LYS 54 9.336 -1.585 6.211 219 2HE LYS 54 2HE LYS 54 11.361 -3.127 7.797 220 1HZ LYS 54 1HZ LYS 54 9.778 -1.205 8.432 221 2HZ LYS 54 2HZ LYS 54 8.678 -2.395 8.634 222 3HZ LYS 54 3HZ LYS 54 10.065 -2.409 9.498 223 H ARG 55 H ARG 55 6.532 -2.736 2.886 224 HA ARG 55 HA ARG 55 5.615 -4.474 4.834 225 2HB ARG 55 2HB ARG 55 3.331 -3.760 3.414 226 2HG ARG 55 2HG ARG 55 3.235 -1.786 4.945 227 2HD ARG 55 2HD ARG 55 4.256 -3.361 7.027 228 HE ARG 55 HE ARG 55 1.643 -2.830 5.885 229 1HH1 ARG 55 2HH2 ARG 55 3.331 -4.901 8.176 230 2HH1 ARG 55 1HH2 ARG 55 1.919 -5.212 9.129 231 1HH2 ARG 55 2HH1 ARG 55 -0.219 -3.240 7.144 232 2HH2 ARG 55 1HH1 ARG 55 -0.114 -4.261 8.539 233 H VAL 56 H VAL 56 5.256 -4.477 1.217 234 HA VAL 56 HA VAL 56 3.736 -6.811 1.074 235 HB VAL 56 HB VAL 56 4.579 -6.840 -1.293 236 1HG1 VAL 56 1HG1 VAL 56 3.469 -4.682 -1.900 237 2HG1 VAL 56 2HG1 VAL 56 2.535 -5.676 -0.756 238 3HG1 VAL 56 3HG1 VAL 56 3.441 -4.259 -0.171 239 1HG2 VAL 56 1HG2 VAL 56 6.559 -5.867 -1.678 240 2HG2 VAL 56 2HG2 VAL 56 5.701 -4.311 -1.568 241 3HG2 VAL 56 3HG2 VAL 56 6.515 -4.983 -0.134 242 H THR 57 H THR 57 7.282 -6.215 1.154 243 HA THR 57 HA THR 57 7.967 -8.926 0.644 244 HB THR 57 HB THR 57 9.502 -6.583 1.889 245 HG1 THR 57 1HG THR 57 9.828 -6.118 -0.287 246 1HG2 THR 57 1HG2 THR 57 10.367 -9.173 1.945 247 2HG2 THR 57 2HG2 THR 57 10.811 -8.754 0.273 248 3HG2 THR 57 3HG2 THR 57 11.465 -7.807 1.632 249 H GLU 58 H GLU 58 7.432 -6.979 3.617 250 HA GLU 58 HA GLU 58 8.288 -9.083 5.288 251 2HB GLU 58 2HB GLU 58 6.901 -7.560 7.001 252 2HG GLU 58 2HG GLU 58 9.202 -6.046 5.860 253 H ILE 59 H ILE 59 5.257 -8.163 3.716 254 HA ILE 59 HA ILE 59 3.447 -9.436 5.381 255 HB ILE 59 HB ILE 59 3.523 -8.650 2.504 256 2HG1 ILE 59 2HG1 ILE 59 2.987 -7.193 4.634 257 1HG2 ILE 59 1HG2 ILE 59 1.803 -10.758 3.633 258 2HG2 ILE 59 2HG2 ILE 59 0.931 -9.455 2.788 259 3HG2 ILE 59 3HG2 ILE 59 2.200 -10.371 1.941 260 1HD1 ILE 59 1HD1 ILE 59 0.912 -6.334 2.984 261 2HD1 ILE 59 2HD1 ILE 59 2.622 -5.869 2.818 262 3HD1 ILE 59 3HD1 ILE 59 1.971 -7.222 1.862 263 H LEU 60 H LEU 60 5.385 -10.707 2.604 264 HA LEU 60 HA LEU 60 4.472 -13.387 3.331 265 2HB LEU 60 2HB LEU 60 4.365 -13.737 1.166 266 HG LEU 60 HG LEU 60 4.260 -11.071 1.094 267 1HD1 LEU 60 1HD1 LEU 60 6.822 -11.729 -0.383 268 2HD1 LEU 60 2HD1 LEU 60 5.926 -10.197 -0.521 269 3HD1 LEU 60 3HD1 LEU 60 6.637 -10.674 1.039 270 1HD2 LEU 60 1HD2 LEU 60 3.382 -12.970 -0.501 271 2HD2 LEU 60 2HD2 LEU 60 3.431 -11.274 -1.036 272 3HD2 LEU 60 3HD2 LEU 60 4.705 -12.406 -1.549 273 H GLY 61 H GLY 61 7.438 -11.404 2.741 274 1HA GLY 61 1HA GLY 61 9.114 -11.765 4.559 275 2HA GLY 61 2HA GLY 61 8.969 -13.475 4.199 276 H PHE 62 H PHE 62 8.472 -12.315 1.212 277 HA PHE 62 HA PHE 62 11.328 -11.957 0.645 278 2HB PHE 62 2HB PHE 62 10.864 -14.171 -0.124 279 HD1 PHE 62 1HD PHE 62 8.226 -12.845 -2.295 280 HD2 PHE 62 2HD PHE 62 9.077 -15.238 1.104 281 HE1 PHE 62 1HE PHE 62 5.898 -13.783 -2.372 282 HE2 PHE 62 2HE PHE 62 6.749 -16.175 1.028 283 HZ PHE 62 HZ PHE 62 5.189 -15.436 -0.709 284 H GLU 63 H GLU 63 11.812 -10.715 -1.306 285 HA GLU 63 HA GLU 63 10.081 -8.538 -1.570 286 2HB GLU 63 2HB GLU 63 12.394 -9.341 -3.388 287 2HG GLU 63 2HG GLU 63 12.120 -6.511 -2.829 288 H ASP 64 H ASP 64 8.132 -8.603 -2.602 289 HA ASP 64 HA ASP 64 7.625 -10.595 -4.537 290 2HB ASP 64 2HB ASP 64 5.474 -9.057 -4.815 291 H ASP 65 H ASP 65 6.067 -9.275 -6.500 292 HA ASP 65 HA ASP 65 7.650 -7.122 -7.540 293 2HB ASP 65 2HB ASP 65 7.247 -8.885 -9.759 294 H VAL 66 H VAL 66 5.130 -9.648 -8.288 295 HA VAL 66 HA VAL 66 3.644 -8.020 -10.023 296 HB VAL 66 HB VAL 66 3.712 -10.639 -9.389 297 1HG1 VAL 66 1HG1 VAL 66 1.136 -9.626 -8.140 298 2HG1 VAL 66 2HG1 VAL 66 1.637 -11.323 -8.329 299 3HG1 VAL 66 3HG1 VAL 66 2.536 -10.245 -7.234 300 1HG2 VAL 66 1HG2 VAL 66 1.101 -9.719 -10.482 301 2HG2 VAL 66 2HG2 VAL 66 2.565 -9.136 -11.310 302 3HG2 VAL 66 3HG2 VAL 66 2.278 -10.884 -11.137 303 H VAL 67 H VAL 67 3.530 -8.624 -6.478 304 HA VAL 67 HA VAL 67 1.153 -7.116 -6.110 305 HB VAL 67 HB VAL 67 1.346 -7.703 -3.926 306 1HG1 VAL 67 1HG1 VAL 67 2.063 -9.932 -3.771 307 2HG1 VAL 67 2HG1 VAL 67 1.717 -9.713 -5.503 308 3HG1 VAL 67 3HG1 VAL 67 3.400 -9.683 -4.919 309 1HG2 VAL 67 1HG2 VAL 67 3.302 -6.326 -3.429 310 2HG2 VAL 67 2HG2 VAL 67 3.461 -7.931 -2.675 311 3HG2 VAL 67 3HG2 VAL 67 4.371 -7.549 -4.157 312 H ILE 68 H ILE 68 4.692 -6.463 -5.816 313 HA ILE 68 HA ILE 68 4.409 -3.871 -4.806 314 HB ILE 68 HB ILE 68 6.639 -5.097 -6.431 315 2HG1 ILE 68 2HG1 ILE 68 5.914 -6.312 -4.316 316 1HG2 ILE 68 1HG2 ILE 68 6.521 -2.602 -4.726 317 2HG2 ILE 68 2HG2 ILE 68 8.039 -3.389 -5.221 318 3HG2 ILE 68 3HG2 ILE 68 6.931 -2.737 -6.453 319 1HD1 ILE 68 1HD1 ILE 68 8.665 -5.284 -3.785 320 2HD1 ILE 68 2HD1 ILE 68 8.093 -6.958 -3.980 321 3HD1 ILE 68 3HD1 ILE 68 8.390 -5.947 -5.413 322 H GLU 69 H GLU 69 4.744 -5.136 -8.180 323 HA GLU 69 HA GLU 69 4.829 -2.702 -9.425 324 2HB GLU 69 2HB GLU 69 3.415 -4.343 -11.193 325 2HG GLU 69 2HG GLU 69 6.359 -4.821 -10.869 326 H PHE 70 H PHE 70 2.002 -4.671 -8.359 327 HA PHE 70 HA PHE 70 0.013 -3.196 -9.576 328 2HB PHE 70 2HB PHE 70 -1.083 -4.021 -7.176 329 HD1 PHE 70 1HD PHE 70 -0.163 -7.150 -7.611 330 HD2 PHE 70 2HD PHE 70 -1.878 -4.068 -9.970 331 HE1 PHE 70 1HE PHE 70 -1.227 -8.876 -9.091 332 HE2 PHE 70 2HE PHE 70 -2.943 -5.794 -11.451 333 HZ PHE 70 HZ PHE 70 -2.605 -8.177 -10.992 334 H ILE 71 H ILE 71 1.572 -2.764 -6.332 335 HA ILE 71 HA ILE 71 -0.053 -0.518 -5.701 336 HB ILE 71 HB ILE 71 2.513 -1.538 -4.479 337 2HG1 ILE 71 2HG1 ILE 71 -0.076 -2.678 -4.520 338 1HG2 ILE 71 1HG2 ILE 71 0.660 0.694 -3.758 339 2HG2 ILE 71 2HG2 ILE 71 1.390 -0.271 -2.452 340 3HG2 ILE 71 3HG2 ILE 71 2.431 0.579 -3.618 341 1HD1 ILE 71 1HD1 ILE 71 1.064 -4.447 -3.615 342 2HD1 ILE 71 2HD1 ILE 71 2.500 -3.455 -3.965 343 3HD1 ILE 71 3HD1 ILE 71 1.790 -3.448 -2.333 344 H PHE 72 H PHE 72 3.298 -1.015 -6.953 345 HA PHE 72 HA PHE 72 4.021 1.671 -6.934 346 2HB PHE 72 2HB PHE 72 4.878 -0.250 -9.125 347 HD1 PHE 72 1HD PHE 72 5.277 2.805 -7.929 348 HD2 PHE 72 2HD PHE 72 7.600 -0.730 -8.276 349 HE1 PHE 72 1HE PHE 72 7.375 4.181 -7.910 350 HE2 PHE 72 2HE PHE 72 9.698 0.648 -8.257 351 HZ PHE 72 HZ PHE 72 9.561 3.087 -8.075 352 H ASN 73 H ASN 73 2.559 -0.382 -9.543 353 HA ASN 73 HA ASN 73 2.575 1.621 -11.450 354 2HB ASN 73 2HB ASN 73 0.532 0.138 -12.343 355 1HD2 ASN 73 1HD2 ASN 73 3.371 -1.428 -10.891 356 2HD2 ASN 73 2HD2 ASN 73 4.225 -1.755 -12.363 357 H GLN 74 H GLN 74 0.117 0.495 -9.035 358 HA GLN 74 HA GLN 74 -1.897 2.220 -9.911 359 2HB GLN 74 2HB GLN 74 -2.743 1.737 -7.448 360 2HG GLN 74 2HG GLN 74 -3.862 0.552 -9.151 361 1HE2 GLN 74 1HE2 GLN 74 -2.211 -2.263 -9.291 362 2HE2 GLN 74 2HE2 GLN 74 -1.420 -2.126 -10.826 363 H LEU 75 H LEU 75 0.743 2.493 -7.494 364 HA LEU 75 HA LEU 75 -0.222 5.021 -6.537 365 2HB LEU 75 2HB LEU 75 2.021 4.982 -5.343 366 HG LEU 75 HG LEU 75 0.421 2.472 -4.823 367 1HD1 LEU 75 1HD1 LEU 75 1.175 2.655 -2.585 368 2HD1 LEU 75 2HD1 LEU 75 2.604 2.889 -3.620 369 3HD1 LEU 75 3HD1 LEU 75 1.820 4.292 -2.856 370 1HD2 LEU 75 1HD2 LEU 75 -0.259 5.320 -4.056 371 2HD2 LEU 75 2HD2 LEU 75 -1.227 4.191 -5.033 372 3HD2 LEU 75 3HD2 LEU 75 -0.978 3.879 -3.299 373 H GLU 76 H GLU 76 1.305 3.958 -9.366 374 HA GLU 76 HA GLU 76 3.062 6.185 -9.627 375 2HB GLU 76 2HB GLU 76 2.910 5.173 -12.149 376 2HG GLU 76 2HG GLU 76 4.429 3.252 -10.660 377 H VAL 77 H VAL 77 -0.273 5.859 -9.724 378 HA VAL 77 HA VAL 77 -0.580 7.831 -11.867 379 HB VAL 77 HB VAL 77 -2.810 7.143 -12.039 380 1HG1 VAL 77 1HG1 VAL 77 -0.748 5.336 -12.370 381 2HG1 VAL 77 2HG1 VAL 77 -1.932 4.413 -11.411 382 3HG1 VAL 77 3HG1 VAL 77 -2.413 5.136 -12.964 383 1HG2 VAL 77 1HG2 VAL 77 -4.098 6.537 -10.316 384 2HG2 VAL 77 2HG2 VAL 77 -3.037 5.162 -9.926 385 3HG2 VAL 77 3HG2 VAL 77 -2.684 6.775 -9.262 386 H LYS 78 H LYS 78 -2.872 9.143 -11.115 387 HA LYS 78 HA LYS 78 -1.908 10.595 -8.774 388 2HB LYS 78 2HB LYS 78 -3.438 12.384 -9.599 389 2HG LYS 78 2HG LYS 78 -0.930 11.840 -10.425 390 2HD LYS 78 2HD LYS 78 -2.445 11.930 -13.059 391 2HE LYS 78 2HE LYS 78 0.224 10.640 -12.796 392 1HZ LYS 78 1HZ LYS 78 -0.179 11.050 -14.929 393 2HZ LYS 78 2HZ LYS 78 -1.278 12.222 -14.641 394 3HZ LYS 78 3HZ LYS 78 0.317 12.575 -14.619 395 H ASN 79 H ASN 79 -4.364 8.370 -9.864 396 HA ASN 79 HA ASN 79 -5.595 8.646 -7.256 397 2HB ASN 79 2HB ASN 79 -7.636 7.907 -9.175 398 1HD2 ASN 79 1HD2 ASN 79 -6.115 10.626 -7.463 399 2HD2 ASN 79 2HD2 ASN 79 -7.508 11.133 -6.568 400 HA PRO 80 HA PRO 80 -4.715 4.328 -8.196 401 2HB PRO 80 2HB PRO 80 -2.904 4.157 -6.787 402 2HG PRO 80 2HG PRO 80 -2.638 5.934 -5.340 403 2HD PRO 80 2HD PRO 80 -3.743 7.579 -6.506 404 H ASP 81 H ASP 81 -5.724 2.265 -7.772 405 HA ASP 81 HA ASP 81 -8.380 2.815 -6.739 406 2HB ASP 81 2HB ASP 81 -7.343 0.453 -8.377 407 H SER 82 H SER 82 -7.772 2.583 -4.448 408 HA SER 82 HA SER 82 -6.237 0.632 -3.389 409 2HB SER 82 2HB SER 82 -8.701 2.032 -2.289 410 HG SER 82 HG SER 82 -7.222 1.289 -0.243 411 H LYS 83 H LYS 83 -9.388 0.355 -4.880 412 HA LYS 83 HA LYS 83 -10.302 -1.934 -3.529 413 2HB LYS 83 2HB LYS 83 -11.926 -2.083 -5.306 414 2HG LYS 83 2HG LYS 83 -12.815 0.217 -5.290 415 2HD LYS 83 2HD LYS 83 -11.342 -0.378 -2.679 416 2HE LYS 83 2HE LYS 83 -12.474 1.909 -2.935 417 1HZ LYS 83 1HZ LYS 83 -14.807 1.917 -2.986 418 2HZ LYS 83 2HZ LYS 83 -14.345 0.973 -4.236 419 3HZ LYS 83 3HZ LYS 83 -14.921 0.292 -2.867 420 H MET 84 H MET 84 -8.506 -1.483 -6.648 421 HA MET 84 HA MET 84 -8.284 -4.256 -7.051 422 2HB MET 84 2HB MET 84 -6.329 -3.244 -8.638 423 2HG MET 84 2HG MET 84 -7.986 -2.835 -10.353 424 1HE MET 84 1HE MET 84 -7.072 -5.526 -7.871 425 2HE MET 84 2HE MET 84 -7.267 -6.584 -9.289 426 3HE MET 84 3HE MET 84 -6.473 -5.001 -9.462 427 H MET 85 H MET 85 -6.393 -1.822 -5.299 428 HA MET 85 HA MET 85 -3.962 -3.112 -5.261 429 2HB MET 85 2HB MET 85 -4.792 -1.743 -2.736 430 2HG MET 85 2HG MET 85 -2.395 -2.118 -3.675 431 1HE MET 85 1HE MET 85 -3.940 1.458 -5.666 432 2HE MET 85 2HE MET 85 -3.223 1.324 -4.042 433 3HE MET 85 3HE MET 85 -2.215 1.826 -5.421 434 H GLN 86 H GLN 86 -6.706 -3.276 -2.881 435 HA GLN 86 HA GLN 86 -5.392 -5.199 -1.311 436 2HB GLN 86 2HB GLN 86 -8.329 -5.168 -1.090 437 2HG GLN 86 2HG GLN 86 -6.772 -3.853 1.021 438 1HE2 GLN 86 1HE2 GLN 86 -7.588 -7.244 0.362 439 2HE2 GLN 86 2HE2 GLN 86 -8.865 -7.398 1.522 440 H ILE 87 H ILE 87 -7.606 -5.291 -4.101 441 HA ILE 87 HA ILE 87 -8.286 -8.026 -3.817 442 HB ILE 87 HB ILE 87 -8.581 -5.917 -5.908 443 2HG1 ILE 87 2HG1 ILE 87 -10.124 -6.599 -3.813 444 1HG2 ILE 87 1HG2 ILE 87 -7.860 -7.936 -7.137 445 2HG2 ILE 87 2HG2 ILE 87 -9.203 -8.841 -6.399 446 3HG2 ILE 87 3HG2 ILE 87 -9.543 -7.474 -7.488 447 1HD1 ILE 87 1HD1 ILE 87 -12.003 -5.993 -5.835 448 2HD1 ILE 87 2HD1 ILE 87 -11.163 -4.832 -4.779 449 3HD1 ILE 87 3HD1 ILE 87 -10.484 -5.237 -6.374 450 H ASN 88 H ASN 88 -5.720 -6.192 -5.543 451 HA ASN 88 HA ASN 88 -4.770 -8.469 -6.887 452 2HB ASN 88 2HB ASN 88 -2.608 -6.792 -6.881 453 1HD2 ASN 88 1HD2 ASN 88 -3.972 -4.480 -8.243 454 2HD2 ASN 88 2HD2 ASN 88 -4.487 -5.078 -9.784 455 H LEU 89 H LEU 89 -3.935 -6.662 -3.868 456 HA LEU 89 HA LEU 89 -1.586 -8.007 -3.249 457 2HB LEU 89 2HB LEU 89 -2.379 -7.339 -0.839 458 HG LEU 89 HG LEU 89 -2.052 -5.064 -2.800 459 1HD1 LEU 89 1HD1 LEU 89 -0.642 -4.956 -0.240 460 2HD1 LEU 89 2HD1 LEU 89 -1.702 -3.759 -1.024 461 3HD1 LEU 89 3HD1 LEU 89 -2.409 -5.080 -0.062 462 1HD2 LEU 89 1HD2 LEU 89 -0.189 -6.101 -3.506 463 2HD2 LEU 89 2HD2 LEU 89 0.487 -5.550 -1.955 464 3HD2 LEU 89 3HD2 LEU 89 -0.145 -7.207 -2.111 465 H THR 90 H THR 90 -5.033 -8.748 -2.471 466 HA THR 90 HA THR 90 -4.545 -10.937 -0.822 467 HB THR 90 HB THR 90 -6.869 -10.416 -2.750 468 HG1 THR 90 1HG THR 90 -6.281 -9.676 0.031 469 1HG2 THR 90 1HG2 THR 90 -7.586 -12.395 -1.784 470 2HG2 THR 90 2HG2 THR 90 -6.395 -12.289 -0.465 471 3HG2 THR 90 3HG2 THR 90 -7.906 -11.353 -0.376 472 H GLY 91 H GLY 91 -4.338 -10.595 -4.338 473 1HA GLY 91 1HA GLY 91 -4.541 -13.306 -5.034 474 2HA GLY 91 2HA GLY 91 -3.732 -12.045 -5.944 475 H PHE 92 H PHE 92 -2.094 -11.554 -3.259 476 HA PHE 92 HA PHE 92 -0.257 -13.803 -3.689 477 2HB PHE 92 2HB PHE 92 1.056 -11.422 -2.686 478 HD1 PHE 92 1HD PHE 92 3.224 -11.809 -3.328 479 HD2 PHE 92 2HD PHE 92 0.120 -12.658 -6.092 480 HE1 PHE 92 1HE PHE 92 4.930 -12.530 -5.021 481 HE2 PHE 92 2HE PHE 92 1.825 -13.379 -7.786 482 HZ PHE 92 HZ PHE 92 4.210 -13.306 -7.231 483 H LEU 93 H LEU 93 -1.415 -11.230 -1.422 484 HA LEU 93 HA LEU 93 -0.064 -12.281 0.812 485 2HB LEU 93 2HB LEU 93 -1.275 -10.703 2.070 486 HG LEU 93 HG LEU 93 -1.452 -9.201 -0.499 487 1HD1 LEU 93 1HD1 LEU 93 -1.344 -8.579 2.235 488 2HD1 LEU 93 2HD1 LEU 93 0.225 -8.073 1.563 489 3HD1 LEU 93 3HD1 LEU 93 -1.287 -7.453 0.858 490 1HD2 LEU 93 1HD2 LEU 93 0.974 -10.656 0.404 491 2HD2 LEU 93 2HD2 LEU 93 0.470 -10.147 -1.227 492 3HD2 LEU 93 3HD2 LEU 93 1.191 -8.964 -0.108 493 H ASN 94 H ASN 94 -1.980 -12.557 2.828 494 HA ASN 94 HA ASN 94 -2.998 -15.147 2.088 495 2HB ASN 94 2HB ASN 94 -3.583 -15.123 4.663 496 1HD2 ASN 94 1HD2 ASN 94 -0.415 -13.748 3.939 497 2HD2 ASN 94 2HD2 ASN 94 0.514 -15.201 4.100 498 H GLY 95 H GLY 95 -4.011 -11.885 2.218 499 1HA GLY 95 1HA GLY 95 -6.225 -11.398 1.427 500 2HA GLY 95 2HA GLY 95 -6.845 -12.697 2.427 501 H LYS 96 H LYS 96 -5.482 -12.270 4.871 502 HA LYS 96 HA LYS 96 -6.980 -10.041 5.851 503 2HB LYS 96 2HB LYS 96 -5.058 -11.914 7.266 504 2HG LYS 96 2HG LYS 96 -6.974 -11.094 9.072 505 2HD LYS 96 2HD LYS 96 -5.129 -9.366 9.778 506 2HE LYS 96 2HE LYS 96 -5.437 -11.950 10.404 507 1HZ LYS 96 1HZ LYS 96 -3.392 -11.913 8.415 508 2HZ LYS 96 2HZ LYS 96 -2.939 -12.656 9.796 509 3HZ LYS 96 3HZ LYS 96 -4.263 -13.169 8.990 510 H ASN 97 H ASN 97 -3.562 -10.807 5.101 511 HA ASN 97 HA ASN 97 -2.479 -8.604 6.380 512 2HB ASN 97 2HB ASN 97 -0.882 -9.130 4.081 513 1HD2 ASN 97 1HD2 ASN 97 0.174 -11.663 5.220 514 2HD2 ASN 97 2HD2 ASN 97 1.007 -11.236 6.677 515 H ALA 98 H ALA 98 -3.980 -9.144 3.171 516 HA ALA 98 HA ALA 98 -3.093 -6.803 1.920 517 1HB ALA 98 1HB ALA 98 -5.425 -7.304 0.672 518 2HB ALA 98 2HB ALA 98 -3.970 -8.296 0.411 519 3HB ALA 98 3HB ALA 98 -5.238 -8.851 1.531 520 H ARG 99 H ARG 99 -5.939 -7.558 4.002 521 HA ARG 99 HA ARG 99 -7.133 -5.071 3.625 522 2HB ARG 99 2HB ARG 99 -7.994 -5.937 6.139 523 2HG ARG 99 2HG ARG 99 -8.893 -6.794 3.350 524 2HD ARG 99 2HD ARG 99 -11.123 -7.188 4.566 525 HE ARG 99 HE ARG 99 -8.992 -8.981 4.224 526 1HH1 ARG 99 2HH2 ARG 99 -11.693 -8.642 6.454 527 2HH1 ARG 99 1HH2 ARG 99 -11.825 -10.343 6.753 528 1HH2 ARG 99 2HH1 ARG 99 -9.166 -11.225 4.618 529 2HH2 ARG 99 1HH1 ARG 99 -10.378 -11.822 5.701 530 H GLU 100 H GLU 100 -4.779 -6.393 6.003 531 HA GLU 100 HA GLU 100 -4.877 -4.106 7.653 532 2HB GLU 100 2HB GLU 100 -2.591 -5.215 8.450 533 2HG GLU 100 2HG GLU 100 -4.143 -7.163 9.443 534 H PHE 101 H PHE 101 -2.902 -5.198 4.874 535 HA PHE 101 HA PHE 101 -0.852 -3.326 5.131 536 2HB PHE 101 2HB PHE 101 -2.204 -4.778 2.785 537 HD1 PHE 101 1HD PHE 101 -2.062 -2.976 1.141 538 HD2 PHE 101 2HD PHE 101 1.397 -4.346 3.183 539 HE1 PHE 101 1HE PHE 101 -0.608 -1.818 -0.545 540 HE2 PHE 101 2HE PHE 101 2.851 -3.187 1.496 541 HZ PHE 101 HZ PHE 101 1.830 -1.936 -0.347 542 H MET 102 H MET 102 -3.942 -3.247 3.227 543 HA MET 102 HA MET 102 -3.407 -0.669 2.237 544 2HB MET 102 2HB MET 102 -5.969 -0.848 1.694 545 2HG MET 102 2HG MET 102 -5.598 -2.592 -0.035 546 1HE MET 102 1HE MET 102 -4.855 0.286 -1.964 547 2HE MET 102 2HE MET 102 -6.043 -0.630 -1.006 548 3HE MET 102 3HE MET 102 -5.294 0.837 -0.330 549 H GLY 103 H GLY 103 -4.507 -1.862 5.290 550 1HA GLY 103 1HA GLY 103 -6.085 0.486 5.955 551 2HA GLY 103 2HA GLY 103 -5.746 -0.905 6.968 552 H GLU 104 H GLU 104 -2.819 -0.006 5.535 553 HA GLU 104 HA GLU 104 -2.244 1.869 7.687 554 2HB GLU 104 2HB GLU 104 0.030 0.740 7.888 555 2HG GLU 104 2HG GLU 104 -1.474 -1.545 8.669 556 H LEU 105 H LEU 105 -2.149 0.995 4.358 557 HA LEU 105 HA LEU 105 -0.002 2.903 3.812 558 2HB LEU 105 2HB LEU 105 -1.360 0.967 1.936 559 HG LEU 105 HG LEU 105 1.458 1.782 1.536 560 1HD1 LEU 105 1HD1 LEU 105 0.455 0.178 0.052 561 2HD1 LEU 105 2HD1 LEU 105 -0.900 1.279 -0.297 562 3HD1 LEU 105 3HD1 LEU 105 0.742 1.689 -0.845 563 1HD2 LEU 105 1HD2 LEU 105 0.458 3.952 2.077 564 2HD2 LEU 105 2HD2 LEU 105 0.905 3.846 0.358 565 3HD2 LEU 105 3HD2 LEU 105 -0.798 3.685 0.845 566 H TRP 106 H TRP 106 -3.449 2.126 3.073 567 HA TRP 106 HA TRP 106 -3.914 4.269 1.368 568 2HB TRP 106 2HB TRP 106 -6.020 3.258 3.242 569 HD1 TRP 106 HD TRP 106 -8.206 4.355 2.352 570 HE1 TRP 106 1HE TRP 106 -9.227 5.181 0.063 571 HE3 TRP 106 3HE TRP 106 -4.177 3.119 -0.494 572 HZ2 TRP 106 2HZ TRP 106 -8.257 5.222 -2.620 573 HZ3 TRP 106 3HZ TRP 106 -4.297 3.586 -2.940 574 HH2 TRP 106 HH TRP 106 -6.246 4.600 -4.008 575 HA PRO 107 HA PRO 107 -4.840 6.580 5.426 576 2HB PRO 107 2HB PRO 107 -5.481 5.310 7.236 577 2HG PRO 107 2HG PRO 107 -4.897 3.083 7.104 578 2HD PRO 107 2HD PRO 107 -4.724 2.841 4.825 579 H LEU 108 H LEU 108 -1.791 5.014 5.000 580 HA LEU 108 HA LEU 108 -0.215 6.925 6.273 581 2HB LEU 108 2HB LEU 108 0.974 5.703 3.903 582 HG LEU 108 HG LEU 108 1.787 6.305 6.536 583 1HD1 LEU 108 1HD1 LEU 108 0.964 4.181 7.332 584 2HD1 LEU 108 2HD1 LEU 108 1.809 3.319 6.024 585 3HD1 LEU 108 3HD1 LEU 108 2.743 4.148 7.292 586 1HD2 LEU 108 1HD2 LEU 108 2.931 6.123 4.103 587 2HD2 LEU 108 2HD2 LEU 108 3.850 6.222 5.624 588 3HD2 LEU 108 3HD2 LEU 108 3.572 4.641 4.853 589 H LEU 109 H LEU 109 -1.496 6.711 2.908 590 HA LEU 109 HA LEU 109 -0.153 9.079 2.089 591 2HB LEU 109 2HB LEU 109 -1.288 8.802 0.040 592 HG LEU 109 HG LEU 109 -0.575 6.170 1.302 593 1HD1 LEU 109 1HD1 LEU 109 -2.210 6.570 -1.144 594 2HD1 LEU 109 2HD1 LEU 109 -0.875 5.398 -1.252 595 3HD1 LEU 109 3HD1 LEU 109 -2.138 5.197 -0.014 596 1HD2 LEU 109 1HD2 LEU 109 0.599 8.007 -0.759 597 2HD2 LEU 109 2HD2 LEU 109 1.354 7.265 0.672 598 3HD2 LEU 109 3HD2 LEU 109 1.014 6.277 -0.769 599 H LEU 110 H LEU 110 -3.292 8.270 3.569 600 HA LEU 110 HA LEU 110 -4.666 10.591 3.008 601 2HB LEU 110 2HB LEU 110 -5.645 10.014 5.408 602 HG LEU 110 HG LEU 110 -7.232 9.464 3.902 603 1HD1 LEU 110 1HD1 LEU 110 -6.666 7.996 1.833 604 2HD1 LEU 110 2HD1 LEU 110 -6.126 9.691 1.880 605 3HD1 LEU 110 3HD1 LEU 110 -4.976 8.380 2.238 606 1HD2 LEU 110 1HD2 LEU 110 -6.264 6.636 3.885 607 2HD2 LEU 110 2HD2 LEU 110 -6.660 7.400 5.444 608 3HD2 LEU 110 3HD2 LEU 110 -7.896 7.291 4.166 609 H SER 111 H SER 111 -2.288 9.874 5.628 610 HA SER 111 HA SER 111 -2.585 12.482 6.705 611 2HB SER 111 2HB SER 111 -0.506 10.306 7.204 612 HG SER 111 HG SER 111 -0.579 12.908 8.040 613 H ALA 112 H ALA 112 -0.466 10.811 4.376 614 HA ALA 112 HA ALA 112 1.603 12.715 4.350 615 1HB ALA 112 1HB ALA 112 1.682 10.350 3.482 616 2HB ALA 112 2HB ALA 112 0.679 10.876 2.109 617 3HB ALA 112 3HB ALA 112 2.304 11.564 2.339 618 H GLN 113 H GLN 113 -1.416 12.295 2.398 619 HA GLN 113 HA GLN 113 -0.904 14.416 0.694 620 2HB GLN 113 2HB GLN 113 -2.599 12.666 0.257 621 2HG GLN 113 2HG GLN 113 -3.949 13.965 2.650 622 1HE2 GLN 113 1HE2 GLN 113 -4.607 11.365 0.308 623 2HE2 GLN 113 2HE2 GLN 113 -6.263 11.764 -0.006 624 H GLU 114 H GLU 114 -1.630 14.370 4.057 625 HA GLU 114 HA GLU 114 -2.913 16.946 3.994 626 2HB GLU 114 2HB GLU 114 -2.936 16.614 6.527 627 2HG GLU 114 2HG GLU 114 -4.220 14.143 5.829 628 H ASN 115 H ASN 115 0.253 15.673 3.971 629 HA ASN 115 HA ASN 115 1.382 17.710 5.622 630 2HB ASN 115 2HB ASN 115 3.343 16.412 3.914 631 1HD2 ASN 115 1HD2 ASN 115 1.724 15.202 6.824 632 2HD2 ASN 115 2HD2 ASN 115 2.992 15.551 7.952 633 H ILE 116 H ILE 116 3.741 18.320 4.054 634 HA ILE 116 HA ILE 116 2.521 19.865 1.875 635 HB ILE 116 HB ILE 116 3.576 20.983 3.956 636 2HG1 ILE 116 2HG1 ILE 116 3.878 22.904 2.722 637 1HG2 ILE 116 1HG2 ILE 116 5.635 19.770 4.098 638 2HG2 ILE 116 2HG2 ILE 116 6.054 20.173 2.416 639 3HG2 ILE 116 3HG2 ILE 116 6.012 21.452 3.653 640 1HD1 ILE 116 1HD1 ILE 116 5.078 21.119 0.562 641 2HD1 ILE 116 2HD1 ILE 116 4.695 22.838 0.308 642 3HD1 ILE 116 3HD1 ILE 116 5.910 22.367 1.521 643 H ALA 117 H ALA 117 5.376 17.912 2.907 644 HA ALA 117 HA ALA 117 6.350 17.864 0.184 645 1HB ALA 117 1HB ALA 117 7.485 16.141 2.357 646 2HB ALA 117 2HB ALA 117 8.316 17.104 1.112 647 3HB ALA 117 3HB ALA 117 7.628 17.906 2.544 648 H GLY 118 H GLY 118 3.786 16.449 1.675 649 1HA GLY 118 1HA GLY 118 2.512 14.672 1.135 650 2HA GLY 118 2HA GLY 118 3.559 14.374 -0.237 651 H ILE 119 H ILE 119 4.481 14.488 3.256 652 HA ILE 119 HA ILE 119 5.200 11.649 3.009 653 HB ILE 119 HB ILE 119 6.710 14.000 3.924 654 2HG1 ILE 119 2HG1 ILE 119 7.329 11.282 2.763 655 1HG2 ILE 119 1HG2 ILE 119 8.002 12.653 5.595 656 2HG2 ILE 119 2HG2 ILE 119 6.354 13.093 6.106 657 3HG2 ILE 119 3HG2 ILE 119 6.700 11.440 5.541 658 1HD1 ILE 119 1HD1 ILE 119 7.317 12.451 0.828 659 2HD1 ILE 119 2HD1 ILE 119 6.833 13.912 1.720 660 3HD1 ILE 119 3HD1 ILE 119 8.558 13.548 1.478 661 HA PRO 120 HA PRO 120 2.460 11.118 6.316 662 2HB PRO 120 2HB PRO 120 1.983 8.965 5.656 663 2HG PRO 120 2HG PRO 120 3.556 8.013 4.264 664 2HD PRO 120 2HD PRO 120 4.500 9.906 3.360 665 H SER 121 H SER 121 2.236 11.036 8.596 666 HA SER 121 HA SER 121 4.439 12.163 9.835 667 2HB SER 121 2HB SER 121 2.106 12.473 10.604 668 HG SER 121 HG SER 121 0.887 10.750 10.910 669 H ALA 122 H ALA 122 3.710 8.883 9.016 670 HA ALA 122 HA ALA 122 4.842 7.509 11.158 671 1HB ALA 122 1HB ALA 122 5.322 5.867 9.068 672 2HB ALA 122 2HB ALA 122 3.698 6.095 9.762 673 3HB ALA 122 3HB ALA 122 4.172 6.985 8.296 674 H PHE 123 H PHE 123 6.251 9.336 8.466 675 HA PHE 123 HA PHE 123 8.891 8.291 9.142 676 2HB PHE 123 2HB PHE 123 9.496 9.405 6.993 677 HD1 PHE 123 1HD PHE 123 7.714 9.330 4.646 678 HD2 PHE 123 2HD PHE 123 7.857 6.801 8.051 679 HE1 PHE 123 1HE PHE 123 6.728 7.457 3.297 680 HE2 PHE 123 2HE PHE 123 6.870 4.929 6.701 681 HZ PHE 123 HZ PHE 123 6.318 5.279 4.341 682 H LEU 124 H LEU 124 6.879 11.254 9.139 683 HA LEU 124 HA LEU 124 8.885 13.106 9.606 684 2HB LEU 124 2HB LEU 124 7.110 14.522 10.467 685 HG LEU 124 HG LEU 124 6.133 12.827 8.152 686 1HD1 LEU 124 1HD1 LEU 124 4.188 13.879 8.407 687 2HD1 LEU 124 2HD1 LEU 124 4.855 14.993 9.626 688 3HD1 LEU 124 3HD1 LEU 124 5.033 15.359 7.894 689 1HD2 LEU 124 1HD2 LEU 124 6.896 14.974 6.899 690 2HD2 LEU 124 2HD2 LEU 124 7.895 15.252 8.345 691 3HD2 LEU 124 3HD2 LEU 124 8.106 13.765 7.391 692 H GLU 125 H GLU 125 6.645 11.722 12.116 693 HA GLU 125 HA GLU 125 8.059 12.621 14.252 694 2HB GLU 125 2HB GLU 125 6.524 9.989 14.109 695 2HG GLU 125 2HG GLU 125 7.900 10.723 16.236 696 H LEU 126 H LEU 126 8.120 9.171 13.082 697 HA LEU 126 HA LEU 126 10.328 8.442 14.580 698 2HB LEU 126 2HB LEU 126 10.511 6.661 12.688 699 HG LEU 126 HG LEU 126 8.285 6.995 14.651 700 1HD1 LEU 126 1HD1 LEU 126 6.906 6.134 13.000 701 2HD1 LEU 126 2HD1 LEU 126 8.200 5.145 12.284 702 3HD1 LEU 126 3HD1 LEU 126 7.471 4.668 13.836 703 1HD2 LEU 126 1HD2 LEU 126 10.676 5.283 14.261 704 2HD2 LEU 126 2HD2 LEU 126 9.977 5.973 15.745 705 3HD2 LEU 126 3HD2 LEU 126 9.260 4.514 15.019 706 H LYS 127 H LYS 127 12.346 7.428 13.093 707 HA LYS 127 HA LYS 127 13.655 9.847 12.222 708 2HB LYS 127 2HB LYS 127 14.724 8.190 13.755 709 2HG LYS 127 2HG LYS 127 15.831 6.314 12.074 710 2HD LYS 127 2HD LYS 127 13.656 6.349 14.100 711 2HE LYS 127 2HE LYS 127 13.846 4.195 11.964 712 1HZ LYS 127 1HZ LYS 127 13.656 3.812 14.732 713 2HZ LYS 127 2HZ LYS 127 12.254 3.358 14.027 714 3HZ LYS 127 3HZ LYS 127 13.664 2.692 13.543 715 H LYS 128 H LYS 128 15.328 9.196 10.218 716 HA LYS 128 HA LYS 128 14.086 7.675 8.174 717 2HB LYS 128 2HB LYS 128 12.629 9.750 8.269 718 2HG LYS 128 2HG LYS 128 14.380 11.346 6.609 719 2HD LYS 128 2HD LYS 128 12.574 11.626 8.918 720 2HE LYS 128 2HE LYS 128 14.567 13.863 8.753 721 1HZ LYS 128 1HZ LYS 128 13.084 14.325 10.334 722 2HZ LYS 128 2HZ LYS 128 12.645 12.772 10.582 723 3HZ LYS 128 3HZ LYS 128 13.997 13.360 11.283 724 H GLU 129 H GLU 129 15.331 8.237 5.973 725 HA GLU 129 HA GLU 129 17.854 7.514 6.238 726 2HB GLU 129 2HB GLU 129 17.087 9.605 4.168 727 2HG GLU 129 2HG GLU 129 19.152 7.482 4.471 728 H GLU 130 H GLU 130 19.949 8.471 6.451 729 HA GLU 130 HA GLU 130 19.949 10.760 8.091 730 2HB GLU 130 2HB GLU 130 22.442 9.637 6.799 731 2HG GLU 130 2HG GLU 130 21.919 11.461 8.886 732 H ILE 131 H ILE 131 18.845 12.275 6.568 733 HA ILE 131 HA ILE 131 20.675 13.240 4.486 734 HB ILE 131 HB ILE 131 17.683 13.540 4.763 735 2HG1 ILE 131 2HG1 ILE 131 17.409 11.894 3.177 736 1HG2 ILE 131 1HG2 ILE 131 17.973 14.409 2.351 737 2HG2 ILE 131 2HG2 ILE 131 18.342 15.505 3.704 738 3HG2 ILE 131 3HG2 ILE 131 19.664 14.707 2.820 739 1HD1 ILE 131 1HD1 ILE 131 19.641 11.044 1.958 740 2HD1 ILE 131 2HD1 ILE 131 18.705 12.417 1.319 741 3HD1 ILE 131 3HD1 ILE 131 20.167 12.712 2.292 742 H LYS 132 H LYS 132 21.944 14.263 6.264 743 HA LYS 132 HA LYS 132 22.572 16.073 7.360 744 2HB LYS 132 2HB LYS 132 20.325 17.803 6.483 745 2HG LYS 132 2HG LYS 132 23.371 17.890 6.489 746 2HD LYS 132 2HD LYS 132 21.748 20.297 5.719 747 2HE LYS 132 2HE LYS 132 24.076 19.737 4.089 748 1HZ LYS 132 1HZ LYS 132 24.790 21.767 5.111 749 2HZ LYS 132 2HZ LYS 132 23.214 21.899 4.708 750 3HZ LYS 132 3HZ LYS 132 23.640 21.663 6.266 751 H GLN 133 H GLN 133 22.241 15.170 9.415 752 HA GLN 133 HA GLN 133 19.994 14.671 10.703 753 2HB GLN 133 2HB GLN 133 22.152 14.254 11.721 754 2HG GLN 133 2HG GLN 133 22.687 16.960 10.994 755 1HE2 GLN 133 1HE2 GLN 133 24.411 16.094 13.780 756 2HE2 GLN 133 2HE2 GLN 133 23.821 17.299 14.877 757 H ARG 134 H ARG 134 18.229 15.740 11.551 758 HA ARG 134 HA ARG 134 17.800 18.359 10.808 759 2HB ARG 134 2HB ARG 134 16.411 16.751 13.012 760 2HG ARG 134 2HG ARG 134 14.901 18.676 11.312 761 2HD ARG 134 2HD ARG 134 14.746 17.413 13.948 762 HE ARG 134 HE ARG 134 14.897 19.364 15.214 763 1HH1 ARG 134 2HH2 ARG 134 13.475 20.162 12.095 764 2HH1 ARG 134 1HH2 ARG 134 13.184 21.818 12.508 765 1HH2 ARG 134 2HH1 ARG 134 14.512 21.550 15.760 766 2HH2 ARG 134 1HH1 ARG 134 13.778 22.613 14.607 Start of MODEL 17 1 1H SER 24 H SER 24 -6.657 -9.197 -9.167 2 HA SER 24 HA SER 24 -9.031 -8.736 -10.731 3 2HB SER 24 2HB SER 24 -6.338 -7.718 -11.438 4 HG SER 24 HG SER 24 -6.413 -9.491 -12.923 5 H HIS 25 H HIS 25 -5.825 -10.362 -10.354 6 HA HIS 25 HA HIS 25 -6.582 -12.537 -12.028 7 2HB HIS 25 2HB HIS 25 -4.440 -13.533 -11.130 8 HD1 HIS 25 1HD HIS 25 -5.204 -12.477 -13.857 9 HD2 HIS 25 2HD HIS 25 -2.358 -10.591 -11.419 10 HE1 HIS 25 1HE HIS 25 -3.736 -11.087 -15.414 11 H MET 26 H MET 26 -7.670 -11.566 -9.041 12 HA MET 26 HA MET 26 -8.308 -14.323 -8.377 13 2HB MET 26 2HB MET 26 -6.965 -14.115 -6.519 14 2HG MET 26 2HG MET 26 -6.134 -11.761 -5.792 15 1HE MET 26 1HE MET 26 -4.164 -10.506 -6.910 16 2HE MET 26 2HE MET 26 -3.148 -11.174 -8.208 17 3HE MET 26 3HE MET 26 -4.673 -10.350 -8.608 18 H GLN 27 H GLN 27 -8.936 -10.994 -7.037 19 HA GLN 27 HA GLN 27 -10.814 -9.820 -7.077 20 2HB GLN 27 2HB GLN 27 -12.842 -10.515 -8.131 21 2HG GLN 27 2HG GLN 27 -11.347 -12.290 -9.891 22 1HE2 GLN 27 1HE2 GLN 27 -11.650 -8.782 -9.330 23 2HE2 GLN 27 2HE2 GLN 27 -12.579 -8.413 -10.745 24 H LEU 28 H LEU 28 -11.736 -9.297 -5.132 25 HA LEU 28 HA LEU 28 -13.186 -11.168 -3.602 26 2HB LEU 28 2HB LEU 28 -11.261 -12.205 -2.894 27 HG LEU 28 HG LEU 28 -9.252 -11.036 -1.997 28 1HD1 LEU 28 1HD1 LEU 28 -9.607 -11.949 -4.423 29 2HD1 LEU 28 2HD1 LEU 28 -9.522 -10.229 -4.873 30 3HD1 LEU 28 3HD1 LEU 28 -8.158 -10.996 -4.023 31 1HD2 LEU 28 1HD2 LEU 28 -8.850 -8.764 -2.237 32 2HD2 LEU 28 2HD2 LEU 28 -10.118 -8.562 -3.470 33 3HD2 LEU 28 3HD2 LEU 28 -10.566 -8.816 -1.766 34 H LYS 29 H LYS 29 -13.142 -9.998 -1.105 35 HA LYS 29 HA LYS 29 -14.117 -7.336 -1.778 36 2HB LYS 29 2HB LYS 29 -14.638 -9.284 0.455 37 2HG LYS 29 2HG LYS 29 -15.519 -6.361 0.397 38 2HD LYS 29 2HD LYS 29 -15.989 -7.139 2.906 39 2HE LYS 29 2HE LYS 29 -17.958 -8.303 0.949 40 1HZ LYS 29 1HZ LYS 29 -19.372 -7.589 2.491 41 2HZ LYS 29 2HZ LYS 29 -18.075 -7.514 3.480 42 3HZ LYS 29 3HZ LYS 29 -18.613 -6.164 2.734 43 H PHE 30 H PHE 30 -13.595 -5.501 -0.326 44 HA PHE 30 HA PHE 30 -10.937 -5.855 0.870 45 2HB PHE 30 2HB PHE 30 -10.403 -4.411 -0.890 46 HD1 PHE 30 1HD PHE 30 -13.022 -2.006 -0.507 47 HD2 PHE 30 2HD PHE 30 -11.913 -5.515 -2.620 48 HE1 PHE 30 1HE PHE 30 -14.743 -1.494 -2.261 49 HE2 PHE 30 2HE PHE 30 -13.634 -5.003 -4.374 50 HZ PHE 30 HZ PHE 30 -15.028 -2.998 -4.173 51 H ALA 31 H ALA 31 -10.640 -3.342 2.032 52 HA ALA 31 HA ALA 31 -12.530 -3.575 4.203 53 1HB ALA 31 1HB ALA 31 -10.067 -3.327 4.551 54 2HB ALA 31 2HB ALA 31 -10.155 -1.710 3.811 55 3HB ALA 31 3HB ALA 31 -11.011 -2.039 5.337 56 H GLU 32 H GLU 32 -12.639 -0.880 5.075 57 HA GLU 32 HA GLU 32 -14.325 0.203 2.962 58 2HB GLU 32 2HB GLU 32 -15.384 1.501 4.917 59 2HG GLU 32 2HG GLU 32 -15.985 -1.155 5.820 60 H CYS 33 H CYS 33 -11.827 0.978 5.440 61 HA CYS 33 HA CYS 33 -11.653 3.670 5.124 62 2HB CYS 33 2HB CYS 33 -9.179 3.345 5.680 63 HG CYS 33 HG CYS 33 -9.507 2.323 8.125 64 H LEU 34 H LEU 34 -10.894 1.075 2.872 65 HA LEU 34 HA LEU 34 -9.024 2.383 1.268 66 2HB LEU 34 2HB LEU 34 -9.503 0.706 -0.353 67 HG LEU 34 HG LEU 34 -10.238 -0.959 1.986 68 1HD1 LEU 34 1HD1 LEU 34 -8.496 -2.389 1.156 69 2HD1 LEU 34 2HD1 LEU 34 -9.499 -1.857 -0.215 70 3HD1 LEU 34 3HD1 LEU 34 -7.905 -1.116 0.061 71 1HD2 LEU 34 1HD2 LEU 34 -7.757 -0.689 2.766 72 2HD2 LEU 34 2HD2 LEU 34 -7.900 0.920 2.021 73 3HD2 LEU 34 3HD2 LEU 34 -9.005 0.447 3.334 74 H GLU 35 H GLU 35 -12.323 3.096 1.912 75 HA GLU 35 HA GLU 35 -12.724 4.302 -0.671 76 2HB GLU 35 2HB GLU 35 -15.000 4.731 0.098 77 2HG GLU 35 2HG GLU 35 -14.649 2.097 1.432 78 H LYS 36 H LYS 36 -10.673 5.188 1.501 79 HA LYS 36 HA LYS 36 -11.683 7.819 2.162 80 2HB LYS 36 2HB LYS 36 -9.287 7.946 3.182 81 2HG LYS 36 2HG LYS 36 -10.384 5.934 4.835 82 2HD LYS 36 2HD LYS 36 -11.327 8.811 4.947 83 2HE LYS 36 2HE LYS 36 -10.069 7.196 7.179 84 1HZ LYS 36 1HZ LYS 36 -10.633 9.353 7.751 85 2HZ LYS 36 2HZ LYS 36 -12.045 9.340 6.931 86 3HZ LYS 36 3HZ LYS 36 -11.895 8.479 8.311 87 H LYS 37 H LYS 37 -10.170 6.263 -0.472 88 HA LYS 37 HA LYS 37 -9.138 6.980 -2.287 89 2HB LYS 37 2HB LYS 37 -9.690 9.341 -3.034 90 2HG LYS 37 2HG LYS 37 -11.294 7.018 -2.848 91 2HD LYS 37 2HD LYS 37 -12.502 9.192 -1.340 92 2HE LYS 37 2HE LYS 37 -14.060 8.247 -3.795 93 1HZ LYS 37 1HZ LYS 37 -15.055 10.422 -2.304 94 2HZ LYS 37 2HZ LYS 37 -15.808 9.039 -2.738 95 3HZ LYS 37 3HZ LYS 37 -14.926 9.092 -1.364 96 H VAL 38 H VAL 38 -7.430 8.612 -3.180 97 HA VAL 38 HA VAL 38 -5.903 9.930 -1.129 98 HB VAL 38 HB VAL 38 -3.904 8.641 -1.405 99 1HG1 VAL 38 1HG1 VAL 38 -5.548 7.904 0.301 100 2HG1 VAL 38 2HG1 VAL 38 -6.220 6.749 -0.876 101 3HG1 VAL 38 3HG1 VAL 38 -4.542 6.569 -0.309 102 1HG2 VAL 38 1HG2 VAL 38 -5.451 6.787 -3.244 103 2HG2 VAL 38 2HG2 VAL 38 -4.278 8.009 -3.787 104 3HG2 VAL 38 3HG2 VAL 38 -3.741 6.650 -2.771 105 H ASP 39 H ASP 39 -4.238 11.318 -2.054 106 HA ASP 39 HA ASP 39 -4.605 11.627 -4.930 107 2HB ASP 39 2HB ASP 39 -5.518 13.641 -4.338 108 H MET 40 H MET 40 -2.637 10.607 -5.569 109 HA MET 40 HA MET 40 -0.275 10.853 -4.116 110 2HB MET 40 2HB MET 40 0.743 9.834 -6.183 111 2HG MET 40 2HG MET 40 -1.069 7.957 -6.498 112 1HE MET 40 1HE MET 40 -0.827 8.035 -2.185 113 2HE MET 40 2HE MET 40 0.282 9.375 -2.562 114 3HE MET 40 3HE MET 40 -1.371 9.376 -3.221 115 H SER 41 H SER 41 -1.889 12.997 -6.340 116 HA SER 41 HA SER 41 0.432 14.273 -7.298 117 2HB SER 41 2HB SER 41 -1.970 15.955 -7.270 118 HG SER 41 HG SER 41 -1.264 16.293 -9.262 119 H LYS 42 H LYS 42 -0.981 14.132 -4.231 120 HA LYS 42 HA LYS 42 0.077 16.789 -3.551 121 2HB LYS 42 2HB LYS 42 -1.607 17.072 -1.941 122 2HG LYS 42 2HG LYS 42 -3.774 16.415 -3.201 123 2HD LYS 42 2HD LYS 42 -3.084 17.890 -5.245 124 2HE LYS 42 2HE LYS 42 -3.919 18.560 -2.744 125 1HZ LYS 42 1HZ LYS 42 -1.155 19.346 -2.962 126 2HZ LYS 42 2HZ LYS 42 -2.179 20.483 -2.390 127 3HZ LYS 42 3HZ LYS 42 -2.051 19.043 -1.630 128 H VAL 43 H VAL 43 -0.185 13.311 -2.755 129 HA VAL 43 HA VAL 43 1.886 13.725 -0.717 130 HB VAL 43 HB VAL 43 0.400 12.596 0.501 131 1HG1 VAL 43 1HG1 VAL 43 -1.532 11.399 -0.345 132 2HG1 VAL 43 2HG1 VAL 43 -1.356 12.935 -1.227 133 3HG1 VAL 43 3HG1 VAL 43 -0.859 11.407 -1.994 134 1HG2 VAL 43 1HG2 VAL 43 2.089 10.899 0.294 135 2HG2 VAL 43 2HG2 VAL 43 0.499 10.098 0.258 136 3HG2 VAL 43 3HG2 VAL 43 1.411 10.335 -1.252 137 H ASN 44 H ASN 44 3.735 12.294 -0.705 138 HA ASN 44 HA ASN 44 4.436 11.560 -3.388 139 2HB ASN 44 2HB ASN 44 6.643 10.886 -1.973 140 1HD2 ASN 44 1HD2 ASN 44 8.163 12.823 -1.499 141 2HD2 ASN 44 2HD2 ASN 44 8.081 14.142 -2.621 142 H LEU 45 H LEU 45 4.249 9.431 -4.111 143 HA LEU 45 HA LEU 45 3.558 7.403 -2.168 144 2HB LEU 45 2HB LEU 45 2.636 7.958 -4.639 145 HG LEU 45 HG LEU 45 3.238 6.356 -6.242 146 1HD1 LEU 45 1HD1 LEU 45 6.046 6.748 -5.640 147 2HD1 LEU 45 2HD1 LEU 45 5.050 7.432 -6.946 148 3HD1 LEU 45 3HD1 LEU 45 5.107 8.235 -5.359 149 1HD2 LEU 45 1HD2 LEU 45 4.016 4.317 -5.805 150 2HD2 LEU 45 2HD2 LEU 45 5.429 4.959 -4.933 151 3HD2 LEU 45 3HD2 LEU 45 3.883 4.732 -4.079 152 H GLU 46 H GLU 46 6.351 8.626 -3.840 153 HA GLU 46 HA GLU 46 7.788 6.272 -4.082 154 2HB GLU 46 2HB GLU 46 9.608 8.402 -3.516 155 2HG GLU 46 2HG GLU 46 9.775 8.413 -6.072 156 H VAL 47 H VAL 47 7.318 8.553 -1.352 157 HA VAL 47 HA VAL 47 9.300 7.323 0.280 158 HB VAL 47 HB VAL 47 8.173 8.703 2.059 159 1HG1 VAL 47 1HG1 VAL 47 9.891 9.969 1.354 160 2HG1 VAL 47 2HG1 VAL 47 9.569 9.621 -0.361 161 3HG1 VAL 47 3HG1 VAL 47 8.659 10.904 0.473 162 1HG2 VAL 47 1HG2 VAL 47 6.242 9.811 1.725 163 2HG2 VAL 47 2HG2 VAL 47 6.693 10.297 0.073 164 3HG2 VAL 47 3HG2 VAL 47 6.005 8.683 0.369 165 H ILE 48 H ILE 48 6.401 6.182 -0.922 166 HA ILE 48 HA ILE 48 5.912 4.610 1.512 167 HB ILE 48 HB ILE 48 3.834 4.739 -0.580 168 2HG1 ILE 48 2HG1 ILE 48 3.072 6.915 -0.156 169 1HG2 ILE 48 1HG2 ILE 48 2.387 4.408 1.175 170 2HG2 ILE 48 2HG2 ILE 48 3.854 3.605 1.786 171 3HG2 ILE 48 3HG2 ILE 48 3.435 5.242 2.347 172 1HD1 ILE 48 1HD1 ILE 48 3.278 7.216 2.192 173 2HD1 ILE 48 2HD1 ILE 48 5.021 6.852 2.173 174 3HD1 ILE 48 3HD1 ILE 48 4.427 8.393 1.509 175 H LYS 49 H LYS 49 7.539 4.542 -1.357 176 HA LYS 49 HA LYS 49 6.637 2.074 -2.425 177 2HB LYS 49 2HB LYS 49 8.900 2.245 -3.640 178 2HG LYS 49 2HG LYS 49 8.046 3.979 -5.132 179 2HD LYS 49 2HD LYS 49 5.863 3.125 -5.593 180 2HE LYS 49 2HE LYS 49 7.272 0.983 -3.928 181 1HZ LYS 49 1HZ LYS 49 5.008 0.991 -5.696 182 2HZ LYS 49 2HZ LYS 49 6.088 -0.205 -5.960 183 3HZ LYS 49 3HZ LYS 49 5.388 -0.046 -4.493 184 HA PRO 50 HA PRO 50 10.248 0.495 0.207 185 2HB PRO 50 2HB PRO 50 11.925 1.989 0.710 186 2HG PRO 50 2HG PRO 50 11.326 4.208 0.522 187 2HD PRO 50 2HD PRO 50 9.585 4.036 -0.971 188 H TRP 51 H TRP 51 7.729 2.342 1.683 189 HA TRP 51 HA TRP 51 7.604 0.690 4.003 190 2HB TRP 51 2HB TRP 51 5.572 2.613 2.857 191 HD1 TRP 51 HD TRP 51 6.410 2.745 6.529 192 HE1 TRP 51 1HE TRP 51 4.439 1.867 8.048 193 HE3 TRP 51 3HE TRP 51 3.682 0.736 2.736 194 HZ2 TRP 51 2HZ TRP 51 2.014 0.462 7.506 195 HZ3 TRP 51 3HZ TRP 51 1.525 -0.371 3.318 196 HH2 TRP 51 HH TRP 51 0.681 -0.526 5.606 197 H ILE 52 H ILE 52 5.970 0.906 0.794 198 HA ILE 52 HA ILE 52 4.143 -1.194 1.395 199 HB ILE 52 HB ILE 52 4.838 0.510 -0.934 200 2HG1 ILE 52 2HG1 ILE 52 2.777 0.338 0.993 201 1HG2 ILE 52 1HG2 ILE 52 4.807 -1.285 -2.312 202 2HG2 ILE 52 2HG2 ILE 52 3.890 -2.296 -1.167 203 3HG2 ILE 52 3HG2 ILE 52 3.046 -1.074 -2.149 204 1HD1 ILE 52 1HD1 ILE 52 3.064 2.511 0.359 205 2HD1 ILE 52 2HD1 ILE 52 3.641 2.054 -1.262 206 3HD1 ILE 52 3HD1 ILE 52 1.895 2.127 -0.927 207 H THR 53 H THR 53 7.171 -0.913 -0.581 208 HA THR 53 HA THR 53 7.244 -3.592 -1.363 209 HB THR 53 HB THR 53 9.497 -1.565 -0.903 210 HG1 THR 53 1HG THR 53 8.290 -0.668 -2.539 211 1HG2 THR 53 1HG2 THR 53 9.424 -4.302 -2.023 212 2HG2 THR 53 2HG2 THR 53 9.987 -3.097 -3.206 213 3HG2 THR 53 3HG2 THR 53 10.831 -3.280 -1.648 214 H LYS 54 H LYS 54 8.379 -1.963 1.618 215 HA LYS 54 HA LYS 54 9.714 -4.303 2.552 216 2HB LYS 54 2HB LYS 54 8.882 -1.766 3.994 217 2HG LYS 54 2HG LYS 54 11.262 -3.177 4.947 218 2HD LYS 54 2HD LYS 54 8.607 -2.464 6.283 219 2HE LYS 54 2HE LYS 54 10.767 -4.027 7.249 220 1HZ LYS 54 1HZ LYS 54 11.057 -2.141 9.135 221 2HZ LYS 54 2HZ LYS 54 12.169 -2.505 7.997 222 3HZ LYS 54 3HZ LYS 54 11.143 -1.257 7.765 223 H ARG 55 H ARG 55 6.467 -2.830 2.892 224 HA ARG 55 HA ARG 55 5.668 -4.489 4.979 225 2HB ARG 55 2HB ARG 55 3.307 -3.858 3.686 226 2HG ARG 55 2HG ARG 55 3.390 -1.697 5.033 227 2HD ARG 55 2HD ARG 55 4.164 -4.365 6.273 228 HE ARG 55 HE ARG 55 3.184 -2.250 8.062 229 1HH1 ARG 55 2HH2 ARG 55 6.026 -3.896 6.796 230 2HH1 ARG 55 1HH2 ARG 55 7.036 -3.450 8.130 231 1HH2 ARG 55 2HH1 ARG 55 4.517 -1.660 9.822 232 2HH2 ARG 55 1HH1 ARG 55 6.172 -2.169 9.862 233 H VAL 56 H VAL 56 5.171 -4.624 1.382 234 HA VAL 56 HA VAL 56 3.676 -6.983 1.387 235 HB VAL 56 HB VAL 56 4.344 -7.073 -1.008 236 1HG1 VAL 56 1HG1 VAL 56 2.436 -5.687 -0.101 237 2HG1 VAL 56 2HG1 VAL 56 3.524 -4.279 -0.158 238 3HG1 VAL 56 3HG1 VAL 56 3.101 -5.139 -1.659 239 1HG2 VAL 56 1HG2 VAL 56 5.546 -4.707 -1.591 240 2HG2 VAL 56 2HG2 VAL 56 6.345 -5.105 -0.051 241 3HG2 VAL 56 3HG2 VAL 56 6.414 -6.250 -1.414 242 H THR 57 H THR 57 7.218 -6.335 1.191 243 HA THR 57 HA THR 57 7.953 -9.015 0.729 244 HB THR 57 HB THR 57 9.447 -6.647 1.974 245 HG1 THR 57 1HG THR 57 10.144 -6.587 -0.352 246 1HG2 THR 57 1HG2 THR 57 11.222 -8.077 2.141 247 2HG2 THR 57 2HG2 THR 57 10.254 -9.412 1.471 248 3HG2 THR 57 3HG2 THR 57 11.127 -8.311 0.380 249 H GLU 58 H GLU 58 7.461 -7.104 3.738 250 HA GLU 58 HA GLU 58 8.373 -9.217 5.364 251 2HB GLU 58 2HB GLU 58 7.005 -7.731 7.124 252 2HG GLU 58 2HG GLU 58 9.255 -6.169 5.955 253 H ILE 59 H ILE 59 5.295 -8.319 3.872 254 HA ILE 59 HA ILE 59 3.542 -9.638 5.562 255 HB ILE 59 HB ILE 59 3.540 -8.810 2.696 256 2HG1 ILE 59 2HG1 ILE 59 3.037 -7.384 4.845 257 1HG2 ILE 59 1HG2 ILE 59 1.497 -10.637 3.975 258 2HG2 ILE 59 2HG2 ILE 59 1.160 -9.632 2.544 259 3HG2 ILE 59 3HG2 ILE 59 2.418 -10.889 2.472 260 1HD1 ILE 59 1HD1 ILE 59 2.597 -6.069 3.034 261 2HD1 ILE 59 2HD1 ILE 59 1.890 -7.421 2.117 262 3HD1 ILE 59 3HD1 ILE 59 0.898 -6.532 3.297 263 H LEU 60 H LEU 60 5.426 -10.843 2.719 264 HA LEU 60 HA LEU 60 4.555 -13.545 3.412 265 2HB LEU 60 2HB LEU 60 4.455 -13.865 1.242 266 HG LEU 60 HG LEU 60 4.269 -11.213 1.213 267 1HD1 LEU 60 1HD1 LEU 60 6.832 -11.714 -0.325 268 2HD1 LEU 60 2HD1 LEU 60 5.912 -10.191 -0.282 269 3HD1 LEU 60 3HD1 LEU 60 6.680 -10.809 1.201 270 1HD2 LEU 60 1HD2 LEU 60 3.039 -12.245 -0.408 271 2HD2 LEU 60 2HD2 LEU 60 4.295 -11.495 -1.422 272 3HD2 LEU 60 3HD2 LEU 60 4.409 -13.219 -0.993 273 H GLY 61 H GLY 61 7.504 -11.529 2.845 274 1HA GLY 61 1HA GLY 61 9.195 -11.899 4.640 275 2HA GLY 61 2HA GLY 61 9.051 -13.607 4.275 276 H PHE 62 H PHE 62 8.529 -12.369 1.301 277 HA PHE 62 HA PHE 62 11.388 -12.052 0.718 278 2HB PHE 62 2HB PHE 62 10.843 -14.256 -0.064 279 HD1 PHE 62 1HD PHE 62 9.045 -15.441 0.923 280 HD2 PHE 62 2HD PHE 62 8.264 -12.606 -2.136 281 HE1 PHE 62 1HE PHE 62 6.684 -16.274 0.754 282 HE2 PHE 62 2HE PHE 62 5.902 -13.439 -2.305 283 HZ PHE 62 HZ PHE 62 5.140 -15.263 -0.858 284 H GLU 63 H GLU 63 11.884 -10.751 -1.181 285 HA GLU 63 HA GLU 63 10.167 -8.558 -1.396 286 2HB GLU 63 2HB GLU 63 12.349 -9.175 -3.405 287 2HG GLU 63 2HG GLU 63 10.884 -6.811 -2.396 288 H ASP 64 H ASP 64 8.227 -8.575 -2.449 289 HA ASP 64 HA ASP 64 7.713 -10.517 -4.430 290 2HB ASP 64 2HB ASP 64 5.527 -9.228 -4.659 291 H ASP 65 H ASP 65 6.189 -9.133 -6.378 292 HA ASP 65 HA ASP 65 7.758 -6.952 -7.349 293 2HB ASP 65 2HB ASP 65 7.567 -8.595 -9.637 294 H VAL 66 H VAL 66 5.313 -9.538 -8.106 295 HA VAL 66 HA VAL 66 3.854 -7.997 -9.947 296 HB VAL 66 HB VAL 66 3.927 -10.605 -9.099 297 1HG1 VAL 66 1HG1 VAL 66 1.277 -9.416 -8.211 298 2HG1 VAL 66 2HG1 VAL 66 1.630 -11.154 -8.358 299 3HG1 VAL 66 3HG1 VAL 66 2.508 -10.165 -7.167 300 1HG2 VAL 66 1HG2 VAL 66 3.329 -9.693 -11.346 301 2HG2 VAL 66 2HG2 VAL 66 2.272 -11.020 -10.809 302 3HG2 VAL 66 3HG2 VAL 66 1.699 -9.337 -10.726 303 H VAL 67 H VAL 67 3.591 -8.537 -6.391 304 HA VAL 67 HA VAL 67 1.210 -7.009 -6.159 305 HB VAL 67 HB VAL 67 1.316 -7.526 -3.939 306 1HG1 VAL 67 1HG1 VAL 67 1.632 -9.575 -5.483 307 2HG1 VAL 67 2HG1 VAL 67 3.291 -9.622 -4.841 308 3HG1 VAL 67 3HG1 VAL 67 1.905 -9.785 -3.736 309 1HG2 VAL 67 1HG2 VAL 67 3.389 -7.842 -2.634 310 2HG2 VAL 67 2HG2 VAL 67 4.349 -7.524 -4.098 311 3HG2 VAL 67 3HG2 VAL 67 3.324 -6.241 -3.410 312 H ILE 68 H ILE 68 4.735 -6.368 -5.753 313 HA ILE 68 HA ILE 68 4.448 -3.777 -4.754 314 HB ILE 68 HB ILE 68 6.683 -5.069 -6.321 315 2HG1 ILE 68 2HG1 ILE 68 5.906 -6.108 -4.110 316 1HG2 ILE 68 1HG2 ILE 68 7.578 -3.008 -4.549 317 2HG2 ILE 68 2HG2 ILE 68 7.770 -3.139 -6.313 318 3HG2 ILE 68 3HG2 ILE 68 6.333 -2.340 -5.632 319 1HD1 ILE 68 1HD1 ILE 68 8.396 -5.883 -5.277 320 2HD1 ILE 68 2HD1 ILE 68 8.703 -5.218 -3.654 321 3HD1 ILE 68 3HD1 ILE 68 8.047 -6.864 -3.833 322 H GLU 69 H GLU 69 4.817 -5.037 -8.128 323 HA GLU 69 HA GLU 69 4.912 -2.587 -9.354 324 2HB GLU 69 2HB GLU 69 3.540 -4.275 -11.140 325 2HG GLU 69 2HG GLU 69 6.471 -4.698 -10.954 326 H PHE 70 H PHE 70 2.097 -4.602 -8.354 327 HA PHE 70 HA PHE 70 0.110 -3.158 -9.609 328 2HB PHE 70 2HB PHE 70 -1.005 -4.000 -7.212 329 HD1 PHE 70 1HD PHE 70 0.019 -7.118 -7.755 330 HD2 PHE 70 2HD PHE 70 -1.889 -4.019 -9.938 331 HE1 PHE 70 1HE PHE 70 -1.037 -8.827 -9.259 332 HE2 PHE 70 2HE PHE 70 -2.945 -5.729 -11.442 333 HZ PHE 70 HZ PHE 70 -2.506 -8.113 -11.085 334 H ILE 71 H ILE 71 1.625 -2.688 -6.353 335 HA ILE 71 HA ILE 71 -0.063 -0.503 -5.706 336 HB ILE 71 HB ILE 71 2.553 -1.459 -4.541 337 2HG1 ILE 71 2HG1 ILE 71 -0.060 -2.567 -4.465 338 1HG2 ILE 71 1HG2 ILE 71 2.603 0.463 -3.422 339 2HG2 ILE 71 2HG2 ILE 71 0.998 0.942 -4.026 340 3HG2 ILE 71 3HG2 ILE 71 1.135 -0.084 -2.578 341 1HD1 ILE 71 1HD1 ILE 71 2.556 -3.353 -4.009 342 2HD1 ILE 71 2HD1 ILE 71 1.864 -3.396 -2.370 343 3HD1 ILE 71 3HD1 ILE 71 1.122 -4.353 -3.675 344 H PHE 72 H PHE 72 3.329 -0.830 -6.930 345 HA PHE 72 HA PHE 72 3.892 1.887 -6.966 346 2HB PHE 72 2HB PHE 72 4.916 0.117 -9.176 347 HD1 PHE 72 1HD PHE 72 5.195 3.062 -7.877 348 HD2 PHE 72 2HD PHE 72 7.563 -0.458 -7.951 349 HE1 PHE 72 1HE PHE 72 7.264 4.448 -7.563 350 HE2 PHE 72 2HE PHE 72 9.633 0.927 -7.638 351 HZ PHE 72 HZ PHE 72 9.458 3.364 -7.448 352 H ASN 73 H ASN 73 2.575 -0.281 -9.562 353 HA ASN 73 HA ASN 73 2.486 1.680 -11.500 354 2HB ASN 73 2HB ASN 73 0.493 0.088 -12.343 355 1HD2 ASN 73 1HD2 ASN 73 3.392 -1.381 -10.922 356 2HD2 ASN 73 2HD2 ASN 73 4.251 -1.662 -12.399 357 H GLN 74 H GLN 74 0.167 0.602 -8.956 358 HA GLN 74 HA GLN 74 -1.949 2.199 -9.899 359 2HB GLN 74 2HB GLN 74 -2.727 1.737 -7.388 360 2HG GLN 74 2HG GLN 74 -3.881 0.588 -9.116 361 1HE2 GLN 74 1HE2 GLN 74 -2.362 -2.289 -9.198 362 2HE2 GLN 74 2HE2 GLN 74 -1.543 -2.213 -10.722 363 H LEU 75 H LEU 75 0.689 2.602 -7.497 364 HA LEU 75 HA LEU 75 -0.354 5.104 -6.565 365 2HB LEU 75 2HB LEU 75 1.894 5.175 -5.400 366 HG LEU 75 HG LEU 75 0.386 2.603 -4.879 367 1HD1 LEU 75 1HD1 LEU 75 2.154 4.361 -3.163 368 2HD1 LEU 75 2HD1 LEU 75 1.114 3.066 -2.519 369 3HD1 LEU 75 3HD1 LEU 75 2.429 2.671 -3.653 370 1HD2 LEU 75 1HD2 LEU 75 -0.582 4.470 -3.084 371 2HD2 LEU 75 2HD2 LEU 75 -0.506 5.372 -4.616 372 3HD2 LEU 75 3HD2 LEU 75 -1.427 3.852 -4.524 373 H GLU 76 H GLU 76 1.066 4.108 -9.440 374 HA GLU 76 HA GLU 76 2.790 6.353 -9.760 375 2HB GLU 76 2HB GLU 76 2.526 5.366 -12.283 376 2HG GLU 76 2HG GLU 76 4.114 3.461 -10.775 377 H VAL 77 H VAL 77 -0.503 6.107 -9.584 378 HA VAL 77 HA VAL 77 -0.928 8.096 -11.703 379 HB VAL 77 HB VAL 77 -3.164 7.382 -11.826 380 1HG1 VAL 77 1HG1 VAL 77 -2.979 4.926 -12.244 381 2HG1 VAL 77 2HG1 VAL 77 -1.669 5.879 -12.982 382 3HG1 VAL 77 3HG1 VAL 77 -1.367 4.959 -11.488 383 1HG2 VAL 77 1HG2 VAL 77 -4.363 6.605 -10.106 384 2HG2 VAL 77 2HG2 VAL 77 -3.236 5.252 -9.846 385 3HG2 VAL 77 3HG2 VAL 77 -2.918 6.833 -9.093 386 H LYS 78 H LYS 78 -3.238 9.311 -10.823 387 HA LYS 78 HA LYS 78 -2.241 10.671 -8.439 388 2HB LYS 78 2HB LYS 78 -3.801 12.477 -9.140 389 2HG LYS 78 2HG LYS 78 -1.318 12.003 -10.066 390 2HD LYS 78 2HD LYS 78 -2.791 12.284 -12.686 391 2HE LYS 78 2HE LYS 78 -0.354 10.621 -12.483 392 1HZ LYS 78 1HZ LYS 78 -1.606 12.216 -14.297 393 2HZ LYS 78 2HZ LYS 78 -0.220 13.012 -13.962 394 3HZ LYS 78 3HZ LYS 78 -0.166 11.469 -14.493 395 H ASN 79 H ASN 79 -4.649 8.427 -9.566 396 HA ASN 79 HA ASN 79 -5.853 8.582 -6.936 397 2HB ASN 79 2HB ASN 79 -7.923 7.845 -8.798 398 1HD2 ASN 79 1HD2 ASN 79 -6.551 10.898 -7.564 399 2HD2 ASN 79 2HD2 ASN 79 -7.855 11.310 -6.502 400 HA PRO 80 HA PRO 80 -4.849 4.330 -8.078 401 2HB PRO 80 2HB PRO 80 -2.951 4.177 -6.782 402 2HG PRO 80 2HG PRO 80 -2.656 5.915 -5.296 403 2HD PRO 80 2HD PRO 80 -3.881 7.558 -6.340 404 H ASP 81 H ASP 81 -5.873 2.306 -7.849 405 HA ASP 81 HA ASP 81 -8.453 2.710 -6.626 406 2HB ASP 81 2HB ASP 81 -7.315 0.510 -8.409 407 H SER 82 H SER 82 -7.970 2.428 -4.355 408 HA SER 82 HA SER 82 -6.260 0.636 -3.279 409 2HB SER 82 2HB SER 82 -8.958 1.426 -2.095 410 HG SER 82 HG SER 82 -7.122 1.489 -0.226 411 H LYS 83 H LYS 83 -9.566 0.129 -4.533 412 HA LYS 83 HA LYS 83 -10.086 -2.339 -3.370 413 2HB LYS 83 2HB LYS 83 -11.632 -2.610 -5.359 414 2HG LYS 83 2HG LYS 83 -11.820 -0.981 -3.118 415 2HD LYS 83 2HD LYS 83 -13.087 0.756 -5.174 416 2HE LYS 83 2HE LYS 83 -11.257 1.700 -2.971 417 1HZ LYS 83 1HZ LYS 83 -12.324 3.500 -3.625 418 2HZ LYS 83 2HZ LYS 83 -13.407 2.672 -4.525 419 3HZ LYS 83 3HZ LYS 83 -13.679 2.908 -2.931 420 H MET 84 H MET 84 -8.466 -1.498 -6.499 421 HA MET 84 HA MET 84 -8.036 -4.156 -7.211 422 2HB MET 84 2HB MET 84 -5.990 -2.658 -8.423 423 2HG MET 84 2HG MET 84 -7.965 -2.146 -10.154 424 1HE MET 84 1HE MET 84 -7.005 -6.003 -8.484 425 2HE MET 84 2HE MET 84 -8.641 -5.332 -8.693 426 3HE MET 84 3HE MET 84 -8.014 -6.526 -9.855 427 H MET 85 H MET 85 -6.240 -1.852 -5.168 428 HA MET 85 HA MET 85 -3.808 -3.181 -5.188 429 2HB MET 85 2HB MET 85 -4.511 -1.917 -2.607 430 2HG MET 85 2HG MET 85 -2.198 -2.124 -3.728 431 1HE MET 85 1HE MET 85 -2.125 1.784 -5.404 432 2HE MET 85 2HE MET 85 -3.874 1.499 -5.568 433 3HE MET 85 3HE MET 85 -3.081 1.285 -3.988 434 H GLN 86 H GLN 86 -6.580 -3.349 -2.840 435 HA GLN 86 HA GLN 86 -5.345 -5.327 -1.291 436 2HB GLN 86 2HB GLN 86 -8.277 -5.336 -1.159 437 2HG GLN 86 2HG GLN 86 -6.779 -3.962 0.972 438 1HE2 GLN 86 1HE2 GLN 86 -7.524 -7.382 0.452 439 2HE2 GLN 86 2HE2 GLN 86 -8.857 -7.498 1.553 440 H ILE 87 H ILE 87 -7.451 -5.356 -4.167 441 HA ILE 87 HA ILE 87 -8.160 -8.084 -3.981 442 HB ILE 87 HB ILE 87 -8.338 -5.912 -6.005 443 2HG1 ILE 87 2HG1 ILE 87 -10.019 -6.674 -4.096 444 1HG2 ILE 87 1HG2 ILE 87 -8.742 -8.838 -6.690 445 2HG2 ILE 87 2HG2 ILE 87 -9.185 -7.450 -7.714 446 3HG2 ILE 87 3HG2 ILE 87 -7.475 -7.768 -7.336 447 1HD1 ILE 87 1HD1 ILE 87 -11.665 -5.465 -5.233 448 2HD1 ILE 87 2HD1 ILE 87 -10.208 -4.948 -6.115 449 3HD1 ILE 87 3HD1 ILE 87 -11.267 -6.202 -6.803 450 H ASN 88 H ASN 88 -5.483 -6.261 -5.550 451 HA ASN 88 HA ASN 88 -4.478 -8.547 -6.843 452 2HB ASN 88 2HB ASN 88 -2.326 -6.957 -6.870 453 1HD2 ASN 88 1HD2 ASN 88 -3.810 -4.438 -7.877 454 2HD2 ASN 88 2HD2 ASN 88 -4.382 -4.877 -9.453 455 H LEU 89 H LEU 89 -3.736 -6.701 -3.815 456 HA LEU 89 HA LEU 89 -1.452 -8.093 -3.073 457 2HB LEU 89 2HB LEU 89 -2.265 -7.348 -0.719 458 HG LEU 89 HG LEU 89 -2.022 -5.060 -2.663 459 1HD1 LEU 89 1HD1 LEU 89 -1.911 -5.388 0.199 460 2HD1 LEU 89 2HD1 LEU 89 -0.371 -4.735 -0.407 461 3HD1 LEU 89 3HD1 LEU 89 -1.899 -3.899 -0.777 462 1HD2 LEU 89 1HD2 LEU 89 0.554 -5.476 -2.126 463 2HD2 LEU 89 2HD2 LEU 89 -0.002 -7.167 -2.064 464 3HD2 LEU 89 3HD2 LEU 89 -0.258 -6.200 -3.535 465 H THR 90 H THR 90 -4.945 -8.727 -2.405 466 HA THR 90 HA THR 90 -4.545 -10.918 -0.719 467 HB THR 90 HB THR 90 -6.835 -10.262 -2.648 468 HG1 THR 90 1HG THR 90 -6.287 -9.695 0.180 469 1HG2 THR 90 1HG2 THR 90 -7.941 -11.266 -0.338 470 2HG2 THR 90 2HG2 THR 90 -7.631 -12.259 -1.782 471 3HG2 THR 90 3HG2 THR 90 -6.461 -12.251 -0.440 472 H GLY 91 H GLY 91 -4.069 -10.563 -4.161 473 1HA GLY 91 1HA GLY 91 -4.461 -13.276 -4.894 474 2HA GLY 91 2HA GLY 91 -3.583 -12.048 -5.785 475 H PHE 92 H PHE 92 -1.823 -11.466 -3.341 476 HA PHE 92 HA PHE 92 -0.122 -13.840 -3.640 477 2HB PHE 92 2HB PHE 92 1.250 -11.490 -2.632 478 HD1 PHE 92 1HD PHE 92 3.356 -12.316 -3.124 479 HD2 PHE 92 2HD PHE 92 0.386 -12.363 -6.155 480 HE1 PHE 92 1HE PHE 92 5.065 -13.103 -4.786 481 HE2 PHE 92 2HE PHE 92 2.094 -13.149 -7.816 482 HZ PHE 92 HZ PHE 92 4.413 -13.510 -7.112 483 H LEU 93 H LEU 93 -1.306 -11.278 -1.388 484 HA LEU 93 HA LEU 93 0.035 -12.335 0.861 485 2HB LEU 93 2HB LEU 93 -1.261 -10.773 2.123 486 HG LEU 93 HG LEU 93 -1.048 -9.243 -0.443 487 1HD1 LEU 93 1HD1 LEU 93 0.133 -7.666 1.245 488 2HD1 LEU 93 2HD1 LEU 93 -1.636 -7.858 1.320 489 3HD1 LEU 93 3HD1 LEU 93 -0.597 -8.718 2.482 490 1HD2 LEU 93 1HD2 LEU 93 1.499 -9.060 0.309 491 2HD2 LEU 93 2HD2 LEU 93 1.181 -10.717 0.876 492 3HD2 LEU 93 3HD2 LEU 93 0.929 -10.298 -0.837 493 H ASN 94 H ASN 94 -1.960 -12.540 2.842 494 HA ASN 94 HA ASN 94 -2.971 -15.137 2.120 495 2HB ASN 94 2HB ASN 94 -3.627 -15.102 4.654 496 1HD2 ASN 94 1HD2 ASN 94 -0.519 -13.562 4.486 497 2HD2 ASN 94 2HD2 ASN 94 0.475 -14.978 4.560 498 H GLY 95 H GLY 95 -3.963 -11.854 2.193 499 1HA GLY 95 1HA GLY 95 -6.130 -11.337 1.311 500 2HA GLY 95 2HA GLY 95 -6.807 -12.649 2.254 501 H LYS 96 H LYS 96 -5.879 -12.379 4.793 502 HA LYS 96 HA LYS 96 -7.315 -10.133 5.717 503 2HB LYS 96 2HB LYS 96 -5.863 -11.078 7.873 504 2HG LYS 96 2HG LYS 96 -8.554 -11.353 6.719 505 2HD LYS 96 2HD LYS 96 -9.114 -13.310 8.295 506 2HE LYS 96 2HE LYS 96 -7.409 -13.736 5.801 507 1HZ LYS 96 1HZ LYS 96 -7.736 -15.642 7.519 508 2HZ LYS 96 2HZ LYS 96 -9.213 -15.753 6.833 509 3HZ LYS 96 3HZ LYS 96 -7.873 -15.929 5.917 510 H ASN 97 H ASN 97 -3.852 -10.866 5.172 511 HA ASN 97 HA ASN 97 -2.891 -8.657 6.557 512 2HB ASN 97 2HB ASN 97 -1.195 -9.312 4.282 513 1HD2 ASN 97 1HD2 ASN 97 0.223 -11.387 5.642 514 2HD2 ASN 97 2HD2 ASN 97 0.958 -10.713 7.059 515 H ALA 98 H ALA 98 -4.218 -9.198 3.294 516 HA ALA 98 HA ALA 98 -3.192 -6.894 2.059 517 1HB ALA 98 1HB ALA 98 -5.864 -7.982 1.271 518 2HB ALA 98 2HB ALA 98 -4.445 -7.597 0.268 519 3HB ALA 98 3HB ALA 98 -4.483 -9.104 1.215 520 H ARG 99 H ARG 99 -6.081 -7.562 4.082 521 HA ARG 99 HA ARG 99 -7.256 -5.074 3.567 522 2HB ARG 99 2HB ARG 99 -8.159 -5.960 6.107 523 2HG ARG 99 2HG ARG 99 -9.209 -6.752 3.350 524 2HD ARG 99 2HD ARG 99 -10.457 -7.971 4.990 525 HE ARG 99 HE ARG 99 -10.941 -5.679 6.788 526 1HH1 ARG 99 2HH2 ARG 99 -9.049 -8.579 6.159 527 2HH1 ARG 99 1HH2 ARG 99 -8.538 -8.757 7.804 528 1HH2 ARG 99 2HH1 ARG 99 -10.268 -5.914 8.959 529 2HH2 ARG 99 1HH1 ARG 99 -9.236 -7.231 9.407 530 H GLU 100 H GLU 100 -5.040 -6.380 6.084 531 HA GLU 100 HA GLU 100 -5.177 -4.044 7.666 532 2HB GLU 100 2HB GLU 100 -2.782 -5.420 8.284 533 2HG GLU 100 2HG GLU 100 -5.524 -5.099 9.385 534 H PHE 101 H PHE 101 -3.084 -5.272 5.036 535 HA PHE 101 HA PHE 101 -0.985 -3.474 5.348 536 2HB PHE 101 2HB PHE 101 -2.299 -4.987 3.031 537 HD1 PHE 101 1HD PHE 101 -2.271 -3.046 1.450 538 HD2 PHE 101 2HD PHE 101 1.281 -4.584 3.191 539 HE1 PHE 101 1HE PHE 101 -0.907 -1.894 -0.314 540 HE2 PHE 101 2HE PHE 101 2.645 -3.431 1.426 541 HZ PHE 101 HZ PHE 101 1.535 -2.101 -0.306 542 H MET 102 H MET 102 -3.969 -3.293 3.285 543 HA MET 102 HA MET 102 -3.312 -0.797 2.232 544 2HB MET 102 2HB MET 102 -5.914 -0.813 1.786 545 2HG MET 102 2HG MET 102 -5.701 -2.563 0.066 546 1HE MET 102 1HE MET 102 -5.473 0.435 0.120 547 2HE MET 102 2HE MET 102 -4.454 0.810 -1.291 548 3HE MET 102 3HE MET 102 -5.690 -0.466 -1.401 549 H GLY 103 H GLY 103 -5.015 -1.840 5.192 550 1HA GLY 103 1HA GLY 103 -6.091 0.752 5.794 551 2HA GLY 103 2HA GLY 103 -6.051 -0.662 6.829 552 H GLU 104 H GLU 104 -2.958 0.012 5.444 553 HA GLU 104 HA GLU 104 -2.232 1.541 7.817 554 2HB GLU 104 2HB GLU 104 0.046 0.203 7.517 555 2HG GLU 104 2HG GLU 104 -1.791 -1.740 8.651 556 H LEU 105 H LEU 105 -1.820 0.806 4.368 557 HA LEU 105 HA LEU 105 0.171 2.927 4.137 558 2HB LEU 105 2HB LEU 105 -0.288 0.433 2.836 559 HG LEU 105 HG LEU 105 0.201 1.125 0.507 560 1HD1 LEU 105 1HD1 LEU 105 -2.416 2.274 0.577 561 2HD1 LEU 105 2HD1 LEU 105 -1.923 0.625 0.122 562 3HD1 LEU 105 3HD1 LEU 105 -2.315 1.001 1.817 563 1HD2 LEU 105 1HD2 LEU 105 0.437 3.240 -0.154 564 2HD2 LEU 105 2HD2 LEU 105 -1.044 3.757 0.685 565 3HD2 LEU 105 3HD2 LEU 105 0.495 3.665 1.574 566 H TRP 106 H TRP 106 -3.181 2.019 3.289 567 HA TRP 106 HA TRP 106 -3.678 4.073 1.476 568 2HB TRP 106 2HB TRP 106 -5.722 2.948 3.377 569 HD1 TRP 106 HD TRP 106 -7.945 4.116 2.689 570 HE1 TRP 106 1HE TRP 106 -9.119 5.028 0.509 571 HE3 TRP 106 3HE TRP 106 -4.107 3.028 -0.463 572 HZ2 TRP 106 2HZ TRP 106 -8.327 5.188 -2.229 573 HZ3 TRP 106 3HZ TRP 106 -4.388 3.594 -2.875 574 HH2 TRP 106 HH TRP 106 -6.409 4.637 -3.771 575 HA PRO 107 HA PRO 107 -4.766 6.501 5.423 576 2HB PRO 107 2HB PRO 107 -5.420 5.279 7.261 577 2HG PRO 107 2HG PRO 107 -4.771 3.065 7.226 578 2HD PRO 107 2HD PRO 107 -4.531 2.746 4.963 579 H LEU 108 H LEU 108 -1.666 5.010 5.126 580 HA LEU 108 HA LEU 108 -0.168 6.990 6.375 581 2HB LEU 108 2HB LEU 108 1.191 5.848 4.107 582 HG LEU 108 HG LEU 108 1.793 6.313 6.772 583 1HD1 LEU 108 1HD1 LEU 108 0.701 4.283 7.506 584 2HD1 LEU 108 2HD1 LEU 108 1.620 3.320 6.323 585 3HD1 LEU 108 3HD1 LEU 108 2.464 4.113 7.675 586 1HD2 LEU 108 1HD2 LEU 108 3.410 6.465 5.025 587 2HD2 LEU 108 2HD2 LEU 108 3.989 5.249 6.190 588 3HD2 LEU 108 3HD2 LEU 108 3.261 4.731 4.650 589 H LEU 109 H LEU 109 -1.440 6.702 3.019 590 HA LEU 109 HA LEU 109 -0.120 9.057 2.137 591 2HB LEU 109 2HB LEU 109 -1.295 8.743 0.116 592 HG LEU 109 HG LEU 109 -0.718 6.054 1.370 593 1HD1 LEU 109 1HD1 LEU 109 -2.158 5.270 -0.198 594 2HD1 LEU 109 2HD1 LEU 109 -1.980 6.698 -1.247 595 3HD1 LEU 109 3HD1 LEU 109 -0.719 5.442 -1.231 596 1HD2 LEU 109 1HD2 LEU 109 0.855 6.998 -0.930 597 2HD2 LEU 109 2HD2 LEU 109 1.000 8.006 0.530 598 3HD2 LEU 109 3HD2 LEU 109 1.378 6.268 0.607 599 H LEU 110 H LEU 110 -3.240 8.280 3.679 600 HA LEU 110 HA LEU 110 -4.614 10.596 3.104 601 2HB LEU 110 2HB LEU 110 -5.554 10.058 5.531 602 HG LEU 110 HG LEU 110 -7.160 9.523 4.029 603 1HD1 LEU 110 1HD1 LEU 110 -6.039 9.644 2.000 604 2HD1 LEU 110 2HD1 LEU 110 -4.949 8.294 2.401 605 3HD1 LEU 110 3HD1 LEU 110 -6.658 7.975 2.014 606 1HD2 LEU 110 1HD2 LEU 110 -7.900 7.443 4.501 607 2HD2 LEU 110 2HD2 LEU 110 -6.370 6.666 4.029 608 3HD2 LEU 110 3HD2 LEU 110 -6.516 7.450 5.621 609 H SER 111 H SER 111 -2.149 9.921 5.643 610 HA SER 111 HA SER 111 -2.440 12.532 6.722 611 2HB SER 111 2HB SER 111 -0.098 10.656 7.196 612 HG SER 111 HG SER 111 0.110 11.755 9.069 613 H ALA 112 H ALA 112 -0.378 10.861 4.341 614 HA ALA 112 HA ALA 112 1.689 12.746 4.231 615 1HB ALA 112 1HB ALA 112 2.232 11.651 2.115 616 2HB ALA 112 2HB ALA 112 1.749 10.426 3.313 617 3HB ALA 112 3HB ALA 112 0.608 10.927 2.042 618 H GLN 113 H GLN 113 -1.421 12.414 2.408 619 HA GLN 113 HA GLN 113 -0.954 14.574 0.739 620 2HB GLN 113 2HB GLN 113 -2.673 12.916 0.242 621 2HG GLN 113 2HG GLN 113 -4.013 13.981 2.770 622 1HE2 GLN 113 1HE2 GLN 113 -4.272 11.329 0.405 623 2HE2 GLN 113 2HE2 GLN 113 -5.983 11.427 0.151 624 H GLU 114 H GLU 114 -1.451 14.470 4.118 625 HA GLU 114 HA GLU 114 -2.744 17.048 4.182 626 2HB GLU 114 2HB GLU 114 -2.680 16.658 6.696 627 2HG GLU 114 2HG GLU 114 -3.957 14.180 5.995 628 H ASN 115 H ASN 115 0.399 15.760 3.953 629 HA ASN 115 HA ASN 115 1.627 17.744 5.607 630 2HB ASN 115 2HB ASN 115 3.477 16.443 3.767 631 1HD2 ASN 115 1HD2 ASN 115 2.016 15.309 6.796 632 2HD2 ASN 115 2HD2 ASN 115 3.367 15.629 7.832 633 H ILE 116 H ILE 116 3.921 18.356 3.941 634 HA ILE 116 HA ILE 116 2.623 19.924 1.823 635 HB ILE 116 HB ILE 116 3.685 21.052 3.892 636 2HG1 ILE 116 2HG1 ILE 116 3.942 22.985 2.666 637 1HG2 ILE 116 1HG2 ILE 116 6.169 20.346 2.307 638 2HG2 ILE 116 2HG2 ILE 116 6.096 21.556 3.611 639 3HG2 ILE 116 3HG2 ILE 116 5.769 19.842 3.967 640 1HD1 ILE 116 1HD1 ILE 116 4.957 21.327 0.311 641 2HD1 ILE 116 2HD1 ILE 116 4.859 23.103 0.392 642 3HD1 ILE 116 3HD1 ILE 116 6.000 22.226 1.439 643 H ALA 117 H ALA 117 5.508 17.989 2.791 644 HA ALA 117 HA ALA 117 6.454 17.999 0.056 645 1HB ALA 117 1HB ALA 117 7.700 17.944 2.493 646 2HB ALA 117 2HB ALA 117 7.699 16.213 2.076 647 3HB ALA 117 3HB ALA 117 8.448 17.394 0.974 648 H GLY 118 H GLY 118 3.937 16.519 1.577 649 1HA GLY 118 1HA GLY 118 2.675 14.744 1.005 650 2HA GLY 118 2HA GLY 118 3.734 14.455 -0.361 651 H ILE 119 H ILE 119 4.677 14.592 3.122 652 HA ILE 119 HA ILE 119 5.409 11.757 2.889 653 HB ILE 119 HB ILE 119 6.878 14.126 3.848 654 2HG1 ILE 119 2HG1 ILE 119 7.753 11.415 2.806 655 1HG2 ILE 119 1HG2 ILE 119 8.171 12.863 5.508 656 2HG2 ILE 119 2HG2 ILE 119 6.465 13.032 5.985 657 3HG2 ILE 119 3HG2 ILE 119 7.057 11.487 5.329 658 1HD1 ILE 119 1HD1 ILE 119 6.660 12.448 0.981 659 2HD1 ILE 119 2HD1 ILE 119 7.136 14.083 1.502 660 3HD1 ILE 119 3HD1 ILE 119 8.347 12.988 0.794 661 HA PRO 120 HA PRO 120 2.632 11.226 6.171 662 2HB PRO 120 2HB PRO 120 2.103 9.099 5.462 663 2HG PRO 120 2HG PRO 120 3.651 8.145 4.043 664 2HD PRO 120 2HD PRO 120 4.634 10.035 3.179 665 H SER 121 H SER 121 2.428 11.294 8.411 666 HA SER 121 HA SER 121 4.687 12.243 9.661 667 2HB SER 121 2HB SER 121 2.234 12.545 10.329 668 HG SER 121 HG SER 121 1.407 10.504 10.591 669 H ALA 122 H ALA 122 3.777 9.014 8.841 670 HA ALA 122 HA ALA 122 4.797 7.571 10.990 671 1HB ALA 122 1HB ALA 122 3.723 7.101 8.390 672 2HB ALA 122 2HB ALA 122 5.266 6.219 8.489 673 3HB ALA 122 3HB ALA 122 3.992 5.922 9.696 674 H PHE 123 H PHE 123 6.356 9.357 8.361 675 HA PHE 123 HA PHE 123 8.922 8.161 9.083 676 2HB PHE 123 2HB PHE 123 9.630 9.156 6.934 677 HD1 PHE 123 1HD PHE 123 7.742 6.739 7.943 678 HD2 PHE 123 2HD PHE 123 7.817 9.329 4.582 679 HE1 PHE 123 1HE PHE 123 6.556 4.999 6.575 680 HE2 PHE 123 2HE PHE 123 6.631 7.589 3.215 681 HZ PHE 123 HZ PHE 123 6.016 5.445 4.228 682 H LEU 124 H LEU 124 7.115 11.267 8.912 683 HA LEU 124 HA LEU 124 9.172 13.007 9.430 684 2HB LEU 124 2HB LEU 124 7.458 14.504 10.287 685 HG LEU 124 HG LEU 124 6.360 12.843 8.001 686 1HD1 LEU 124 1HD1 LEU 124 5.452 15.373 9.293 687 2HD1 LEU 124 2HD1 LEU 124 5.335 15.244 7.522 688 3HD1 LEU 124 3HD1 LEU 124 4.512 14.054 8.558 689 1HD2 LEU 124 1HD2 LEU 124 8.217 15.227 8.061 690 2HD2 LEU 124 2HD2 LEU 124 8.497 13.621 7.346 691 3HD2 LEU 124 3HD2 LEU 124 7.315 14.729 6.609 692 H GLU 125 H GLU 125 6.877 11.739 11.953 693 HA GLU 125 HA GLU 125 8.291 12.595 14.090 694 2HB GLU 125 2HB GLU 125 6.769 9.957 13.955 695 2HG GLU 125 2HG GLU 125 6.595 11.858 16.263 696 H LEU 126 H LEU 126 8.366 9.160 12.871 697 HA LEU 126 HA LEU 126 10.451 8.293 14.394 698 2HB LEU 126 2HB LEU 126 10.852 6.822 12.222 699 HG LEU 126 HG LEU 126 8.366 6.708 13.943 700 1HD1 LEU 126 1HD1 LEU 126 7.578 5.485 12.185 701 2HD1 LEU 126 2HD1 LEU 126 9.202 5.012 11.632 702 3HD1 LEU 126 3HD1 LEU 126 8.476 4.215 13.049 703 1HD2 LEU 126 1HD2 LEU 126 9.908 4.523 14.538 704 2HD2 LEU 126 2HD2 LEU 126 11.136 5.771 14.216 705 3HD2 LEU 126 3HD2 LEU 126 9.884 6.052 15.449 706 H LYS 127 H LYS 127 12.715 7.615 13.423 707 HA LYS 127 HA LYS 127 13.995 10.096 12.773 708 2HB LYS 127 2HB LYS 127 15.968 8.221 12.687 709 2HG LYS 127 2HG LYS 127 15.050 10.229 14.447 710 2HD LYS 127 2HD LYS 127 15.606 7.625 15.948 711 2HE LYS 127 2HE LYS 127 14.614 9.656 17.664 712 1HZ LYS 127 1HZ LYS 127 17.050 8.183 17.281 713 2HZ LYS 127 2HZ LYS 127 17.196 9.549 18.165 714 3HZ LYS 127 3HZ LYS 127 16.154 8.382 18.631 715 H LYS 128 H LYS 128 13.990 6.800 11.228 716 HA LYS 128 HA LYS 128 14.469 6.218 9.132 717 2HB LYS 128 2HB LYS 128 12.901 8.107 7.688 718 2HG LYS 128 2HG LYS 128 13.161 5.440 7.713 719 2HD LYS 128 2HD LYS 128 10.560 5.848 9.253 720 2HE LYS 128 2HE LYS 128 10.859 3.834 7.686 721 1HZ LYS 128 1HZ LYS 128 12.751 2.982 9.760 722 2HZ LYS 128 2HZ LYS 128 12.345 2.181 8.396 723 3HZ LYS 128 3HZ LYS 128 13.226 3.553 8.307 724 H GLU 129 H GLU 129 16.726 6.785 9.180 725 HA GLU 129 HA GLU 129 17.644 9.326 8.631 726 2HB GLU 129 2HB GLU 129 19.277 7.015 7.663 727 2HG GLU 129 2HG GLU 129 19.881 9.571 8.326 728 H GLU 130 H GLU 130 17.293 10.540 6.826 729 HA GLU 130 HA GLU 130 18.076 9.674 4.330 730 2HB GLU 130 2HB GLU 130 15.242 10.028 3.835 731 2HG GLU 130 2HG GLU 130 17.458 8.160 3.177 732 H ILE 131 H ILE 131 19.089 11.777 4.677 733 HA ILE 131 HA ILE 131 17.199 13.993 4.286 734 HB ILE 131 HB ILE 131 19.859 13.981 5.715 735 2HG1 ILE 131 2HG1 ILE 131 18.723 14.101 7.733 736 1HG2 ILE 131 1HG2 ILE 131 17.959 16.218 5.003 737 2HG2 ILE 131 2HG2 ILE 131 19.136 16.342 6.333 738 3HG2 ILE 131 3HG2 ILE 131 19.702 16.083 4.664 739 1HD1 ILE 131 1HD1 ILE 131 16.336 14.613 7.970 740 2HD1 ILE 131 2HD1 ILE 131 17.118 15.902 7.024 741 3HD1 ILE 131 3HD1 ILE 131 16.141 14.660 6.202 742 H LYS 132 H LYS 132 17.168 14.064 2.043 743 HA LYS 132 HA LYS 132 19.637 13.861 0.593 744 2HB LYS 132 2HB LYS 132 16.962 14.704 -0.525 745 2HG LYS 132 2HG LYS 132 19.578 13.762 -1.548 746 2HD LYS 132 2HD LYS 132 17.368 12.753 -3.238 747 2HE LYS 132 2HE LYS 132 19.941 11.475 -2.194 748 1HZ LYS 132 1HZ LYS 132 17.976 10.741 -4.223 749 2HZ LYS 132 2HZ LYS 132 19.531 10.264 -4.375 750 3HZ LYS 132 3HZ LYS 132 18.658 9.804 -3.072 751 H GLN 133 H GLN 133 20.736 15.636 1.794 752 HA GLN 133 HA GLN 133 20.760 17.927 0.260 753 2HB GLN 133 2HB GLN 133 19.736 18.701 2.978 754 2HG GLN 133 2HG GLN 133 20.474 20.085 0.690 755 1HE2 GLN 133 1HE2 GLN 133 19.577 21.067 -1.019 756 2HE2 GLN 133 2HE2 GLN 133 17.959 20.821 -1.585 757 H ARG 134 H ARG 134 22.695 19.042 0.638 758 HA ARG 134 HA ARG 134 24.627 17.784 2.061 759 2HB ARG 134 2HB ARG 134 25.438 20.480 2.042 760 2HG ARG 134 2HG ARG 134 25.543 18.358 -0.152 761 2HD ARG 134 2HD ARG 134 26.096 21.052 -0.519 762 HE ARG 134 HE ARG 134 28.190 20.343 1.090 763 1HH1 ARG 134 2HH2 ARG 134 28.011 20.992 -2.365 764 2HH1 ARG 134 1HH2 ARG 134 29.640 21.568 -2.470 765 1HH2 ARG 134 2HH1 ARG 134 30.341 21.103 0.950 766 2HH2 ARG 134 1HH1 ARG 134 30.975 21.632 -0.573 Start of MODEL 18 1 1H SER 24 H SER 24 -5.470 -7.923 -13.210 2 HA SER 24 HA SER 24 -7.419 -9.037 -12.225 3 2HB SER 24 2HB SER 24 -8.211 -10.040 -14.469 4 HG SER 24 HG SER 24 -7.392 -7.413 -13.919 5 H HIS 25 H HIS 25 -5.445 -10.557 -10.977 6 HA HIS 25 HA HIS 25 -6.285 -13.268 -11.700 7 2HB HIS 25 2HB HIS 25 -4.136 -14.130 -11.406 8 HD1 HIS 25 1HD HIS 25 -4.900 -13.400 -14.078 9 HD2 HIS 25 2HD HIS 25 -1.953 -11.178 -12.085 10 HE1 HIS 25 1HE HIS 25 -3.573 -12.185 -15.889 11 H MET 26 H MET 26 -7.752 -11.682 -9.936 12 HA MET 26 HA MET 26 -7.358 -13.203 -7.540 13 2HB MET 26 2HB MET 26 -7.498 -11.064 -6.124 14 2HG MET 26 2HG MET 26 -5.276 -12.303 -6.985 15 1HE MET 26 1HE MET 26 -2.909 -11.954 -8.149 16 2HE MET 26 2HE MET 26 -2.386 -10.365 -8.757 17 3HE MET 26 3HE MET 26 -2.781 -10.573 -7.034 18 H GLN 27 H GLN 27 -9.086 -10.220 -7.120 19 HA GLN 27 HA GLN 27 -11.210 -9.652 -7.445 20 2HB GLN 27 2HB GLN 27 -12.826 -10.979 -8.602 21 2HG GLN 27 2HG GLN 27 -10.774 -12.303 -10.142 22 1HE2 GLN 27 1HE2 GLN 27 -10.636 -9.035 -10.768 23 2HE2 GLN 27 2HE2 GLN 27 -11.934 -8.873 -11.904 24 H LEU 28 H LEU 28 -11.805 -9.236 -5.350 25 HA LEU 28 HA LEU 28 -13.260 -11.191 -3.925 26 2HB LEU 28 2HB LEU 28 -11.297 -12.227 -3.283 27 HG LEU 28 HG LEU 28 -9.336 -11.108 -2.294 28 1HD1 LEU 28 1HD1 LEU 28 -9.665 -9.945 -5.043 29 2HD1 LEU 28 2HD1 LEU 28 -8.248 -10.721 -4.297 30 3HD1 LEU 28 3HD1 LEU 28 -9.638 -11.709 -4.807 31 1HD2 LEU 28 1HD2 LEU 28 -9.909 -8.467 -3.448 32 2HD2 LEU 28 2HD2 LEU 28 -10.937 -8.899 -2.061 33 3HD2 LEU 28 3HD2 LEU 28 -9.166 -8.913 -1.893 34 H LYS 29 H LYS 29 -13.216 -10.129 -1.368 35 HA LYS 29 HA LYS 29 -14.336 -7.511 -1.912 36 2HB LYS 29 2HB LYS 29 -14.492 -9.458 0.385 37 2HG LYS 29 2HG LYS 29 -15.654 -6.635 0.304 38 2HD LYS 29 2HD LYS 29 -16.102 -7.211 2.760 39 2HE LYS 29 2HE LYS 29 -17.460 -8.764 0.514 40 1HZ LYS 29 1HZ LYS 29 -19.148 -9.251 2.054 41 2HZ LYS 29 2HZ LYS 29 -17.761 -9.775 2.736 42 3HZ LYS 29 3HZ LYS 29 -18.450 -8.387 3.251 43 H PHE 30 H PHE 30 -13.751 -5.607 -0.663 44 HA PHE 30 HA PHE 30 -10.974 -5.776 0.273 45 2HB PHE 30 2HB PHE 30 -10.744 -4.154 -1.371 46 HD1 PHE 30 1HD PHE 30 -11.629 -4.679 -3.463 47 HD2 PHE 30 2HD PHE 30 -14.197 -3.097 -0.479 48 HE1 PHE 30 1HE PHE 30 -13.471 -4.475 -5.156 49 HE2 PHE 30 2HE PHE 30 -16.039 -2.894 -2.171 50 HZ PHE 30 HZ PHE 30 -15.654 -3.585 -4.490 51 H ALA 31 H ALA 31 -10.776 -3.259 1.483 52 HA ALA 31 HA ALA 31 -12.403 -3.731 3.846 53 1HB ALA 31 1HB ALA 31 -9.735 -2.818 3.275 54 2HB ALA 31 2HB ALA 31 -10.599 -1.539 4.161 55 3HB ALA 31 3HB ALA 31 -10.476 -3.174 4.853 56 H GLU 32 H GLU 32 -12.426 -1.079 4.884 57 HA GLU 32 HA GLU 32 -14.322 0.102 3.012 58 2HB GLU 32 2HB GLU 32 -15.271 -0.628 5.193 59 2HG GLU 32 2HG GLU 32 -13.567 1.566 6.445 60 H CYS 33 H CYS 33 -11.736 0.868 5.435 61 HA CYS 33 HA CYS 33 -11.603 3.558 5.099 62 2HB CYS 33 2HB CYS 33 -9.255 3.397 5.816 63 HG CYS 33 HG CYS 33 -9.432 2.246 8.098 64 H LEU 34 H LEU 34 -10.822 0.962 2.860 65 HA LEU 34 HA LEU 34 -8.970 2.266 1.239 66 2HB LEU 34 2HB LEU 34 -9.458 0.591 -0.374 67 HG LEU 34 HG LEU 34 -10.205 -1.021 2.017 68 1HD1 LEU 34 1HD1 LEU 34 -8.381 -2.463 1.146 69 2HD1 LEU 34 2HD1 LEU 34 -9.678 -2.163 -0.036 70 3HD1 LEU 34 3HD1 LEU 34 -8.130 -1.294 -0.173 71 1HD2 LEU 34 1HD2 LEU 34 -7.719 -0.869 2.717 72 2HD2 LEU 34 2HD2 LEU 34 -7.737 0.692 1.860 73 3HD2 LEU 34 3HD2 LEU 34 -8.840 0.416 3.230 74 H GLU 35 H GLU 35 -12.277 2.971 1.890 75 HA GLU 35 HA GLU 35 -12.642 4.228 -0.681 76 2HB GLU 35 2HB GLU 35 -14.944 4.538 -0.017 77 2HG GLU 35 2HG GLU 35 -14.608 1.969 1.424 78 H LYS 36 H LYS 36 -10.682 5.077 1.596 79 HA LYS 36 HA LYS 36 -11.754 7.648 2.347 80 2HB LYS 36 2HB LYS 36 -9.378 7.822 3.372 81 2HG LYS 36 2HG LYS 36 -10.304 5.668 4.917 82 2HD LYS 36 2HD LYS 36 -11.811 7.984 5.645 83 2HE LYS 36 2HE LYS 36 -9.414 8.151 7.049 84 1HZ LYS 36 1HZ LYS 36 -11.328 6.090 7.756 85 2HZ LYS 36 2HZ LYS 36 -10.646 7.239 8.695 86 3HZ LYS 36 3HZ LYS 36 -11.859 7.632 7.676 87 H LYS 37 H LYS 37 -10.292 6.293 -0.399 88 HA LYS 37 HA LYS 37 -9.272 7.122 -2.175 89 2HB LYS 37 2HB LYS 37 -9.933 9.492 -2.807 90 2HG LYS 37 2HG LYS 37 -11.419 7.089 -2.737 91 2HD LYS 37 2HD LYS 37 -12.731 9.134 -1.124 92 2HE LYS 37 2HE LYS 37 -15.001 8.667 -2.407 93 1HZ LYS 37 1HZ LYS 37 -13.560 10.568 -3.937 94 2HZ LYS 37 2HZ LYS 37 -14.821 10.794 -2.925 95 3HZ LYS 37 3HZ LYS 37 -13.299 10.755 -2.336 96 H VAL 38 H VAL 38 -7.679 8.933 -3.005 97 HA VAL 38 HA VAL 38 -6.163 10.147 -0.874 98 HB VAL 38 HB VAL 38 -4.106 9.018 -1.349 99 1HG1 VAL 38 1HG1 VAL 38 -5.681 8.002 0.301 100 2HG1 VAL 38 2HG1 VAL 38 -6.263 6.913 -0.981 101 3HG1 VAL 38 3HG1 VAL 38 -4.569 6.829 -0.441 102 1HG2 VAL 38 1HG2 VAL 38 -4.023 7.054 -2.888 103 2HG2 VAL 38 2HG2 VAL 38 -5.668 7.458 -3.434 104 3HG2 VAL 38 3HG2 VAL 38 -4.330 8.597 -3.719 105 H ASP 39 H ASP 39 -3.800 10.545 -2.538 106 HA ASP 39 HA ASP 39 -4.581 11.491 -5.047 107 2HB ASP 39 2HB ASP 39 -3.768 13.814 -3.340 108 H MET 40 H MET 40 -2.608 10.418 -5.670 109 HA MET 40 HA MET 40 -0.229 10.664 -4.292 110 2HB MET 40 2HB MET 40 0.763 9.769 -6.435 111 2HG MET 40 2HG MET 40 -0.962 7.849 -6.772 112 1HE MET 40 1HE MET 40 -1.474 9.083 -3.451 113 2HE MET 40 2HE MET 40 -0.720 7.853 -2.409 114 3HE MET 40 3HE MET 40 0.183 9.322 -2.846 115 H SER 41 H SER 41 -1.856 12.843 -6.519 116 HA SER 41 HA SER 41 0.477 14.210 -7.322 117 2HB SER 41 2HB SER 41 -2.419 15.169 -7.335 118 HG SER 41 HG SER 41 -0.012 16.204 -8.319 119 H LYS 42 H LYS 42 -1.122 13.968 -4.351 120 HA LYS 42 HA LYS 42 -0.222 16.654 -3.570 121 2HB LYS 42 2HB LYS 42 -2.005 16.843 -2.077 122 2HG LYS 42 2HG LYS 42 -4.067 16.122 -3.396 123 2HD LYS 42 2HD LYS 42 -2.437 17.241 -5.562 124 2HE LYS 42 2HE LYS 42 -4.608 18.327 -3.708 125 1HZ LYS 42 1HZ LYS 42 -4.716 19.984 -5.588 126 2HZ LYS 42 2HZ LYS 42 -3.510 20.182 -4.506 127 3HZ LYS 42 3HZ LYS 42 -3.195 19.529 -5.969 128 H VAL 43 H VAL 43 -0.365 13.153 -2.822 129 HA VAL 43 HA VAL 43 1.618 13.638 -0.711 130 HB VAL 43 HB VAL 43 0.107 12.493 0.464 131 1HG1 VAL 43 1HG1 VAL 43 -1.597 12.726 -1.319 132 2HG1 VAL 43 2HG1 VAL 43 -0.995 11.228 -2.069 133 3HG1 VAL 43 3HG1 VAL 43 -1.730 11.180 -0.448 134 1HG2 VAL 43 1HG2 VAL 43 1.916 10.870 0.283 135 2HG2 VAL 43 2HG2 VAL 43 0.347 10.032 0.366 136 3HG2 VAL 43 3HG2 VAL 43 1.191 10.190 -1.194 137 H ASN 44 H ASN 44 3.490 12.228 -0.623 138 HA ASN 44 HA ASN 44 4.288 11.494 -3.283 139 2HB ASN 44 2HB ASN 44 6.426 10.852 -1.640 140 1HD2 ASN 44 1HD2 ASN 44 8.091 12.587 -1.569 141 2HD2 ASN 44 2HD2 ASN 44 8.100 13.775 -2.830 142 H LEU 45 H LEU 45 4.311 9.338 -3.979 143 HA LEU 45 HA LEU 45 3.591 7.320 -2.018 144 2HB LEU 45 2HB LEU 45 2.666 7.807 -4.493 145 HG LEU 45 HG LEU 45 3.397 6.359 -6.132 146 1HD1 LEU 45 1HD1 LEU 45 6.171 6.628 -5.211 147 2HD1 LEU 45 2HD1 LEU 45 5.373 7.260 -6.671 148 3HD1 LEU 45 3HD1 LEU 45 5.229 8.136 -5.128 149 1HD2 LEU 45 1HD2 LEU 45 4.507 4.341 -5.878 150 2HD2 LEU 45 2HD2 LEU 45 5.265 4.827 -4.343 151 3HD2 LEU 45 3HD2 LEU 45 3.530 4.436 -4.394 152 H GLU 46 H GLU 46 6.375 8.648 -3.582 153 HA GLU 46 HA GLU 46 7.896 6.343 -3.829 154 2HB GLU 46 2HB GLU 46 9.621 8.534 -3.189 155 2HG GLU 46 2HG GLU 46 9.175 8.448 -5.998 156 H VAL 47 H VAL 47 7.266 8.565 -1.084 157 HA VAL 47 HA VAL 47 9.262 7.446 0.589 158 HB VAL 47 HB VAL 47 7.910 8.655 2.363 159 1HG1 VAL 47 1HG1 VAL 47 9.165 10.473 1.935 160 2HG1 VAL 47 2HG1 VAL 47 9.751 9.554 0.527 161 3HG1 VAL 47 3HG1 VAL 47 8.426 10.726 0.335 162 1HG2 VAL 47 1HG2 VAL 47 5.888 9.502 1.929 163 2HG2 VAL 47 2HG2 VAL 47 6.470 10.301 0.447 164 3HG2 VAL 47 3HG2 VAL 47 5.921 8.609 0.389 165 H ILE 48 H ILE 48 6.481 6.109 -0.724 166 HA ILE 48 HA ILE 48 6.129 4.382 1.627 167 HB ILE 48 HB ILE 48 3.977 4.382 -0.350 168 2HG1 ILE 48 2HG1 ILE 48 3.081 6.531 0.028 169 1HG2 ILE 48 1HG2 ILE 48 3.742 3.221 1.736 170 2HG2 ILE 48 2HG2 ILE 48 4.132 4.691 2.659 171 3HG2 ILE 48 3HG2 ILE 48 2.618 4.600 1.730 172 1HD1 ILE 48 1HD1 ILE 48 4.239 8.206 1.495 173 2HD1 ILE 48 2HD1 ILE 48 3.616 6.812 2.410 174 3HD1 ILE 48 3HD1 ILE 48 5.352 6.924 2.030 175 H LYS 49 H LYS 49 7.771 4.578 -1.188 176 HA LYS 49 HA LYS 49 6.997 2.193 -2.495 177 2HB LYS 49 2HB LYS 49 9.303 2.506 -3.581 178 2HG LYS 49 2HG LYS 49 8.498 4.694 -4.703 179 2HD LYS 49 2HD LYS 49 6.269 3.513 -5.472 180 2HE LYS 49 2HE LYS 49 7.576 1.840 -6.791 181 1HZ LYS 49 1HZ LYS 49 8.849 3.400 -7.882 182 2HZ LYS 49 2HZ LYS 49 7.708 4.326 -7.170 183 3HZ LYS 49 3HZ LYS 49 9.210 4.248 -6.534 184 HA PRO 50 HA PRO 50 10.524 0.408 0.108 185 2HB PRO 50 2HB PRO 50 12.236 1.834 0.690 186 2HG PRO 50 2HG PRO 50 11.690 4.074 0.621 187 2HD PRO 50 2HD PRO 50 9.947 4.022 -0.878 188 H TRP 51 H TRP 51 8.054 2.238 1.691 189 HA TRP 51 HA TRP 51 7.888 0.507 3.936 190 2HB TRP 51 2HB TRP 51 5.874 2.459 2.805 191 HD1 TRP 51 HD TRP 51 6.658 2.324 6.515 192 HE1 TRP 51 1HE TRP 51 4.617 1.438 7.932 193 HE3 TRP 51 3HE TRP 51 3.901 0.764 2.537 194 HZ2 TRP 51 2HZ TRP 51 2.133 0.210 7.245 195 HZ3 TRP 51 3HZ TRP 51 1.679 -0.268 2.998 196 HH2 TRP 51 HH TRP 51 0.786 -0.555 5.255 197 H ILE 52 H ILE 52 6.115 0.882 0.795 198 HA ILE 52 HA ILE 52 4.303 -1.196 1.261 199 HB ILE 52 HB ILE 52 5.209 0.442 -1.025 200 2HG1 ILE 52 2HG1 ILE 52 2.985 0.289 0.700 201 1HG2 ILE 52 1HG2 ILE 52 3.909 -0.941 -2.637 202 2HG2 ILE 52 2HG2 ILE 52 5.413 -1.708 -2.073 203 3HG2 ILE 52 3HG2 ILE 52 3.844 -2.233 -1.414 204 1HD1 ILE 52 1HD1 ILE 52 3.811 1.897 -1.721 205 2HD1 ILE 52 2HD1 ILE 52 2.177 2.113 -1.050 206 3HD1 ILE 52 3HD1 ILE 52 3.604 2.426 -0.034 207 H THR 53 H THR 53 7.479 -1.113 -0.488 208 HA THR 53 HA THR 53 7.464 -3.841 -1.150 209 HB THR 53 HB THR 53 9.556 -1.643 -0.894 210 HG1 THR 53 1HG THR 53 9.458 -2.185 -3.265 211 1HG2 THR 53 1HG2 THR 53 10.530 -3.828 -2.476 212 2HG2 THR 53 2HG2 THR 53 11.248 -3.174 -0.983 213 3HG2 THR 53 3HG2 THR 53 10.073 -4.508 -0.896 214 H LYS 54 H LYS 54 8.516 -2.077 1.780 215 HA LYS 54 HA LYS 54 9.779 -4.364 2.904 216 2HB LYS 54 2HB LYS 54 8.874 -1.735 4.115 217 2HG LYS 54 2HG LYS 54 10.965 -3.596 5.272 218 2HD LYS 54 2HD LYS 54 9.082 -1.494 6.445 219 2HE LYS 54 2HE LYS 54 11.372 -2.278 8.083 220 1HZ LYS 54 1HZ LYS 54 8.527 -2.638 8.659 221 2HZ LYS 54 2HZ LYS 54 9.737 -2.311 9.705 222 3HZ LYS 54 3HZ LYS 54 9.216 -1.158 8.673 223 H ARG 55 H ARG 55 6.500 -2.953 2.913 224 HA ARG 55 HA ARG 55 5.606 -4.554 5.036 225 2HB ARG 55 2HB ARG 55 3.307 -3.908 3.655 226 2HG ARG 55 2HG ARG 55 3.474 -1.656 4.942 227 2HD ARG 55 2HD ARG 55 3.997 -4.249 6.478 228 HE ARG 55 HE ARG 55 3.222 -1.555 7.355 229 1HH1 ARG 55 2HH2 ARG 55 3.082 -4.994 8.086 230 2HH1 ARG 55 1HH2 ARG 55 2.811 -4.753 9.780 231 1HH2 ARG 55 2HH1 ARG 55 2.864 -1.237 9.589 232 2HH2 ARG 55 1HH1 ARG 55 2.687 -2.602 10.641 233 H VAL 56 H VAL 56 5.268 -4.698 1.422 234 HA VAL 56 HA VAL 56 3.754 -7.050 1.376 235 HB VAL 56 HB VAL 56 4.498 -7.142 -0.993 236 1HG1 VAL 56 1HG1 VAL 56 3.835 -4.332 -0.931 237 2HG1 VAL 56 2HG1 VAL 56 2.823 -5.724 -1.392 238 3HG1 VAL 56 3HG1 VAL 56 2.905 -5.206 0.310 239 1HG2 VAL 56 1HG2 VAL 56 6.584 -6.343 -1.344 240 2HG2 VAL 56 2HG2 VAL 56 5.746 -4.783 -1.529 241 3HG2 VAL 56 3HG2 VAL 56 6.497 -5.210 0.028 242 H THR 57 H THR 57 7.300 -6.410 1.342 243 HA THR 57 HA THR 57 8.034 -9.104 0.907 244 HB THR 57 HB THR 57 9.486 -6.695 2.122 245 HG1 THR 57 1HG THR 57 8.680 -6.607 -0.139 246 1HG2 THR 57 1HG2 THR 57 10.842 -8.611 2.693 247 2HG2 THR 57 2HG2 THR 57 10.454 -9.427 1.159 248 3HG2 THR 57 3HG2 THR 57 11.516 -7.999 1.163 249 H GLU 58 H GLU 58 7.460 -7.151 3.872 250 HA GLU 58 HA GLU 58 8.319 -9.248 5.551 251 2HB GLU 58 2HB GLU 58 6.921 -7.726 7.256 252 2HG GLU 58 2HG GLU 58 9.218 -6.206 6.117 253 H ILE 59 H ILE 59 5.288 -8.338 3.970 254 HA ILE 59 HA ILE 59 3.484 -9.625 5.634 255 HB ILE 59 HB ILE 59 3.553 -8.809 2.766 256 2HG1 ILE 59 2HG1 ILE 59 2.998 -7.387 4.915 257 1HG2 ILE 59 1HG2 ILE 59 1.467 -10.620 3.997 258 2HG2 ILE 59 2HG2 ILE 59 1.174 -9.619 2.555 259 3HG2 ILE 59 3HG2 ILE 59 2.426 -10.884 2.520 260 1HD1 ILE 59 1HD1 ILE 59 1.949 -7.396 2.143 261 2HD1 ILE 59 2HD1 ILE 59 0.941 -6.486 3.295 262 3HD1 ILE 59 3HD1 ILE 59 2.658 -6.062 3.087 263 H LEU 60 H LEU 60 5.422 -10.868 2.843 264 HA LEU 60 HA LEU 60 4.526 -13.558 3.562 265 2HB LEU 60 2HB LEU 60 4.410 -13.916 1.398 266 HG LEU 60 HG LEU 60 4.257 -11.236 1.359 267 1HD1 LEU 60 1HD1 LEU 60 6.658 -10.875 1.189 268 2HD1 LEU 60 2HD1 LEU 60 6.720 -11.854 -0.297 269 3HD1 LEU 60 3HD1 LEU 60 5.831 -10.311 -0.284 270 1HD2 LEU 60 1HD2 LEU 60 4.537 -12.878 -1.170 271 2HD2 LEU 60 2HD2 LEU 60 3.107 -12.896 -0.110 272 3HD2 LEU 60 3HD2 LEU 60 3.585 -11.392 -0.936 273 H GLY 61 H GLY 61 7.472 -11.555 2.941 274 1HA GLY 61 1HA GLY 61 9.179 -11.906 4.726 275 2HA GLY 61 2HA GLY 61 9.032 -13.618 4.379 276 H PHE 62 H PHE 62 8.483 -12.391 1.399 277 HA PHE 62 HA PHE 62 11.330 -12.051 0.787 278 2HB PHE 62 2HB PHE 62 10.820 -14.301 0.090 279 HD1 PHE 62 1HD PHE 62 8.287 -12.822 -2.141 280 HD2 PHE 62 2HD PHE 62 8.992 -15.408 1.148 281 HE1 PHE 62 1HE PHE 62 5.940 -13.692 -2.322 282 HE2 PHE 62 2HE PHE 62 6.644 -16.279 0.966 283 HZ PHE 62 HZ PHE 62 5.147 -15.411 -0.766 284 H GLU 63 H GLU 63 11.771 -10.822 -1.185 285 HA GLU 63 HA GLU 63 9.939 -8.703 -1.464 286 2HB GLU 63 2HB GLU 63 12.274 -9.251 -3.325 287 2HG GLU 63 2HG GLU 63 11.175 -6.684 -2.087 288 H ASP 64 H ASP 64 8.059 -8.845 -2.610 289 HA ASP 64 HA ASP 64 7.709 -10.873 -4.524 290 2HB ASP 64 2HB ASP 64 5.480 -10.189 -4.551 291 H ASP 65 H ASP 65 6.041 -9.090 -6.358 292 HA ASP 65 HA ASP 65 7.779 -7.169 -7.443 293 2HB ASP 65 2HB ASP 65 7.439 -8.914 -9.683 294 H VAL 66 H VAL 66 5.247 -9.653 -8.280 295 HA VAL 66 HA VAL 66 3.853 -7.998 -10.069 296 HB VAL 66 HB VAL 66 3.843 -10.638 -9.333 297 1HG1 VAL 66 1HG1 VAL 66 1.252 -9.386 -8.365 298 2HG1 VAL 66 2HG1 VAL 66 1.488 -11.126 -8.658 299 3HG1 VAL 66 3HG1 VAL 66 2.436 -10.299 -7.398 300 1HG2 VAL 66 1HG2 VAL 66 1.965 -10.851 -10.982 301 2HG2 VAL 66 2HG2 VAL 66 1.833 -9.076 -10.986 302 3HG2 VAL 66 3HG2 VAL 66 3.329 -9.860 -11.551 303 H VAL 67 H VAL 67 3.544 -8.665 -6.540 304 HA VAL 67 HA VAL 67 1.206 -7.069 -6.278 305 HB VAL 67 HB VAL 67 1.227 -7.731 -4.106 306 1HG1 VAL 67 1HG1 VAL 67 3.243 -9.776 -5.048 307 2HG1 VAL 67 2HG1 VAL 67 1.839 -9.997 -3.975 308 3HG1 VAL 67 3HG1 VAL 67 1.594 -9.708 -5.714 309 1HG2 VAL 67 1HG2 VAL 67 3.076 -6.553 -3.238 310 2HG2 VAL 67 2HG2 VAL 67 3.402 -8.259 -2.851 311 3HG2 VAL 67 3HG2 VAL 67 4.239 -7.480 -4.216 312 H ILE 68 H ILE 68 4.746 -6.583 -5.834 313 HA ILE 68 HA ILE 68 4.559 -4.044 -4.687 314 HB ILE 68 HB ILE 68 6.741 -5.321 -6.337 315 2HG1 ILE 68 2HG1 ILE 68 5.948 -6.487 -4.212 316 1HG2 ILE 68 1HG2 ILE 68 6.822 -2.871 -4.556 317 2HG2 ILE 68 2HG2 ILE 68 8.242 -3.688 -5.252 318 3HG2 ILE 68 3HG2 ILE 68 7.044 -2.919 -6.321 319 1HD1 ILE 68 1HD1 ILE 68 8.182 -7.066 -3.582 320 2HD1 ILE 68 2HD1 ILE 68 8.287 -6.634 -5.305 321 3HD1 ILE 68 3HD1 ILE 68 8.813 -5.473 -4.063 322 H GLU 69 H GLU 69 4.868 -5.124 -8.127 323 HA GLU 69 HA GLU 69 4.991 -2.560 -9.165 324 2HB GLU 69 2HB GLU 69 3.754 -4.160 -11.127 325 2HG GLU 69 2HG GLU 69 6.671 -4.523 -10.934 326 H PHE 70 H PHE 70 2.240 -4.703 -8.315 327 HA PHE 70 HA PHE 70 0.218 -3.326 -9.586 328 2HB PHE 70 2HB PHE 70 -0.786 -4.227 -7.097 329 HD1 PHE 70 1HD PHE 70 -2.025 -4.001 -9.628 330 HD2 PHE 70 2HD PHE 70 0.134 -7.306 -8.071 331 HE1 PHE 70 1HE PHE 70 -3.295 -5.546 -11.145 332 HE2 PHE 70 2HE PHE 70 -1.137 -8.851 -9.587 333 HZ PHE 70 HZ PHE 70 -2.836 -7.953 -11.105 334 H ILE 71 H ILE 71 1.686 -2.809 -6.319 335 HA ILE 71 HA ILE 71 -0.110 -0.720 -5.654 336 HB ILE 71 HB ILE 71 2.552 -1.568 -4.512 337 2HG1 ILE 71 2HG1 ILE 71 -0.047 -2.726 -4.385 338 1HG2 ILE 71 1HG2 ILE 71 1.245 -0.246 -2.503 339 2HG2 ILE 71 2HG2 ILE 71 2.544 0.435 -3.511 340 3HG2 ILE 71 3HG2 ILE 71 0.842 0.748 -3.922 341 1HD1 ILE 71 1HD1 ILE 71 1.204 -4.497 -3.692 342 2HD1 ILE 71 2HD1 ILE 71 2.614 -3.451 -3.985 343 3HD1 ILE 71 3HD1 ILE 71 1.919 -3.568 -2.350 344 H PHE 72 H PHE 72 3.288 -0.851 -6.895 345 HA PHE 72 HA PHE 72 3.683 1.901 -6.925 346 2HB PHE 72 2HB PHE 72 5.416 1.174 -8.717 347 HD1 PHE 72 1HD PHE 72 4.414 0.673 -5.422 348 HD2 PHE 72 2HD PHE 72 7.396 -0.547 -8.184 349 HE1 PHE 72 1HE PHE 72 5.930 0.062 -3.517 350 HE2 PHE 72 2HE PHE 72 8.911 -1.157 -6.279 351 HZ PHE 72 HZ PHE 72 8.161 -0.845 -3.968 352 H ASN 73 H ASN 73 2.514 -0.358 -9.514 353 HA ASN 73 HA ASN 73 2.339 1.539 -11.490 354 2HB ASN 73 2HB ASN 73 0.354 -0.122 -12.248 355 1HD2 ASN 73 1HD2 ASN 73 3.368 -1.403 -10.871 356 2HD2 ASN 73 2HD2 ASN 73 4.183 -1.714 -12.367 357 H GLN 74 H GLN 74 0.051 0.493 -8.901 358 HA GLN 74 HA GLN 74 -2.087 2.046 -9.882 359 2HB GLN 74 2HB GLN 74 -2.761 1.609 -7.279 360 2HG GLN 74 2HG GLN 74 -4.083 0.682 -9.067 361 1HE2 GLN 74 1HE2 GLN 74 -3.230 -2.353 -9.295 362 2HE2 GLN 74 2HE2 GLN 74 -2.327 -2.402 -10.773 363 H LEU 75 H LEU 75 0.551 2.511 -7.497 364 HA LEU 75 HA LEU 75 -0.529 5.008 -6.587 365 2HB LEU 75 2HB LEU 75 1.720 5.120 -5.424 366 HG LEU 75 HG LEU 75 0.261 2.532 -4.857 367 1HD1 LEU 75 1HD1 LEU 75 1.026 2.827 -2.595 368 2HD1 LEU 75 2HD1 LEU 75 2.422 2.927 -3.696 369 3HD1 LEU 75 3HD1 LEU 75 1.734 4.411 -2.994 370 1HD2 LEU 75 1HD2 LEU 75 -0.825 4.347 -3.124 371 2HD2 LEU 75 2HD2 LEU 75 -0.685 5.305 -4.617 372 3HD2 LEU 75 3HD2 LEU 75 -1.589 3.772 -4.625 373 H GLU 76 H GLU 76 1.001 3.963 -9.419 374 HA GLU 76 HA GLU 76 2.676 6.222 -9.773 375 2HB GLU 76 2HB GLU 76 2.429 5.232 -12.286 376 2HG GLU 76 2HG GLU 76 3.945 3.291 -10.735 377 H VAL 77 H VAL 77 -0.643 5.917 -9.655 378 HA VAL 77 HA VAL 77 -1.079 7.879 -11.788 379 HB VAL 77 HB VAL 77 -3.336 7.202 -11.798 380 1HG1 VAL 77 1HG1 VAL 77 -3.181 4.990 -12.542 381 2HG1 VAL 77 2HG1 VAL 77 -1.519 5.601 -12.720 382 3HG1 VAL 77 3HG1 VAL 77 -1.944 4.566 -11.335 383 1HG2 VAL 77 1HG2 VAL 77 -4.448 6.575 -9.971 384 2HG2 VAL 77 2HG2 VAL 77 -3.438 5.117 -9.815 385 3HG2 VAL 77 3HG2 VAL 77 -2.924 6.641 -9.052 386 H LYS 78 H LYS 78 -3.267 9.245 -10.960 387 HA LYS 78 HA LYS 78 -2.223 10.629 -8.611 388 2HB LYS 78 2HB LYS 78 -3.703 12.480 -9.386 389 2HG LYS 78 2HG LYS 78 -1.225 11.870 -10.252 390 2HD LYS 78 2HD LYS 78 -2.751 12.057 -12.871 391 2HE LYS 78 2HE LYS 78 -0.160 10.621 -12.667 392 1HZ LYS 78 1HZ LYS 78 -0.572 12.958 -14.298 393 2HZ LYS 78 2HZ LYS 78 0.063 11.507 -14.697 394 3HZ LYS 78 3HZ LYS 78 -1.557 11.693 -14.609 395 H ASN 79 H ASN 79 -4.724 8.460 -9.671 396 HA ASN 79 HA ASN 79 -5.949 8.787 -7.064 397 2HB ASN 79 2HB ASN 79 -8.004 8.032 -8.953 398 1HD2 ASN 79 1HD2 ASN 79 -6.661 11.144 -7.856 399 2HD2 ASN 79 2HD2 ASN 79 -7.959 11.583 -6.796 400 HA PRO 80 HA PRO 80 -5.080 4.450 -8.012 401 2HB PRO 80 2HB PRO 80 -3.148 4.297 -6.767 402 2HG PRO 80 2HG PRO 80 -2.748 6.100 -5.385 403 2HD PRO 80 2HD PRO 80 -3.948 7.728 -6.479 404 H ASP 81 H ASP 81 -6.102 2.432 -7.544 405 HA ASP 81 HA ASP 81 -8.602 2.998 -6.177 406 2HB ASP 81 2HB ASP 81 -7.775 0.868 -8.195 407 H SER 82 H SER 82 -7.653 2.646 -4.005 408 HA SER 82 HA SER 82 -6.049 0.722 -3.166 409 2HB SER 82 2HB SER 82 -6.752 2.178 -1.486 410 HG SER 82 HG SER 82 -9.266 1.872 -2.702 411 H LYS 83 H LYS 83 -9.372 0.321 -4.325 412 HA LYS 83 HA LYS 83 -9.942 -2.157 -3.187 413 2HB LYS 83 2HB LYS 83 -11.653 -2.321 -4.918 414 2HG LYS 83 2HG LYS 83 -12.703 -0.029 -4.603 415 2HD LYS 83 2HD LYS 83 -11.459 -1.390 -2.167 416 2HE LYS 83 2HE LYS 83 -13.626 0.744 -2.402 417 1HZ LYS 83 1HZ LYS 83 -14.612 -0.484 -0.845 418 2HZ LYS 83 2HZ LYS 83 -13.288 -1.379 -0.506 419 3HZ LYS 83 3HZ LYS 83 -13.465 0.102 0.159 420 H MET 84 H MET 84 -8.442 -1.298 -6.376 421 HA MET 84 HA MET 84 -8.076 -3.951 -7.130 422 2HB MET 84 2HB MET 84 -6.037 -2.118 -8.194 423 2HG MET 84 2HG MET 84 -7.090 -2.618 -10.308 424 1HE MET 84 1HE MET 84 -8.732 -5.600 -7.874 425 2HE MET 84 2HE MET 84 -9.373 -4.987 -9.418 426 3HE MET 84 3HE MET 84 -8.565 -6.572 -9.356 427 H MET 85 H MET 85 -6.070 -1.637 -5.262 428 HA MET 85 HA MET 85 -3.706 -3.058 -5.366 429 2HB MET 85 2HB MET 85 -4.234 -1.716 -2.778 430 2HG MET 85 2HG MET 85 -2.409 -1.201 -5.168 431 1HE MET 85 1HE MET 85 -2.178 1.960 -5.323 432 2HE MET 85 2HE MET 85 -3.525 0.808 -5.481 433 3HE MET 85 3HE MET 85 -3.667 2.196 -4.375 434 H GLN 86 H GLN 86 -6.382 -3.127 -2.913 435 HA GLN 86 HA GLN 86 -5.123 -5.069 -1.345 436 2HB GLN 86 2HB GLN 86 -8.074 -5.007 -1.204 437 2HG GLN 86 2HG GLN 86 -6.940 -3.832 1.081 438 1HE2 GLN 86 1HE2 GLN 86 -9.269 -4.859 0.661 439 2HE2 GLN 86 2HE2 GLN 86 -9.507 -6.407 1.403 440 H ILE 87 H ILE 87 -7.317 -5.171 -4.156 441 HA ILE 87 HA ILE 87 -8.018 -7.891 -3.885 442 HB ILE 87 HB ILE 87 -8.247 -5.770 -5.953 443 2HG1 ILE 87 2HG1 ILE 87 -9.882 -6.543 -3.989 444 1HG2 ILE 87 1HG2 ILE 87 -7.682 -7.272 -7.560 445 2HG2 ILE 87 2HG2 ILE 87 -8.094 -8.682 -6.554 446 3HG2 ILE 87 3HG2 ILE 87 -9.385 -7.743 -7.343 447 1HD1 ILE 87 1HD1 ILE 87 -10.624 -4.695 -5.199 448 2HD1 ILE 87 2HD1 ILE 87 -10.398 -5.501 -6.770 449 3HD1 ILE 87 3HD1 ILE 87 -11.797 -5.914 -5.749 450 H ASN 88 H ASN 88 -5.371 -6.120 -5.560 451 HA ASN 88 HA ASN 88 -4.407 -8.385 -6.877 452 2HB ASN 88 2HB ASN 88 -2.331 -6.983 -7.187 453 1HD2 ASN 88 1HD2 ASN 88 -4.623 -7.661 -8.557 454 2HD2 ASN 88 2HD2 ASN 88 -5.215 -6.306 -9.459 455 H LEU 89 H LEU 89 -3.611 -6.686 -3.777 456 HA LEU 89 HA LEU 89 -1.387 -8.198 -3.083 457 2HB LEU 89 2HB LEU 89 -2.118 -7.491 -0.715 458 HG LEU 89 HG LEU 89 -1.932 -5.140 -2.591 459 1HD1 LEU 89 1HD1 LEU 89 -0.210 -4.929 -0.357 460 2HD1 LEU 89 2HD1 LEU 89 -1.704 -4.023 -0.691 461 3HD1 LEU 89 3HD1 LEU 89 -1.771 -5.535 0.246 462 1HD2 LEU 89 1HD2 LEU 89 0.090 -7.277 -2.135 463 2HD2 LEU 89 2HD2 LEU 89 -0.197 -6.242 -3.555 464 3HD2 LEU 89 3HD2 LEU 89 0.660 -5.591 -2.138 465 H THR 90 H THR 90 -4.908 -8.720 -2.492 466 HA THR 90 HA THR 90 -4.627 -10.965 -0.855 467 HB THR 90 HB THR 90 -6.855 -10.250 -2.834 468 HG1 THR 90 1HG THR 90 -7.576 -9.158 -0.748 469 1HG2 THR 90 1HG2 THR 90 -6.585 -12.128 -0.507 470 2HG2 THR 90 2HG2 THR 90 -8.050 -11.115 -0.528 471 3HG2 THR 90 3HG2 THR 90 -7.699 -12.201 -1.894 472 H GLY 91 H GLY 91 -4.052 -10.541 -4.275 473 1HA GLY 91 1HA GLY 91 -4.505 -13.236 -5.064 474 2HA GLY 91 2HA GLY 91 -3.605 -12.007 -5.931 475 H PHE 92 H PHE 92 -1.978 -11.612 -3.252 476 HA PHE 92 HA PHE 92 -0.266 -13.963 -3.657 477 2HB PHE 92 2HB PHE 92 1.181 -11.709 -2.592 478 HD1 PHE 92 1HD PHE 92 3.319 -12.128 -3.309 479 HD2 PHE 92 2HD PHE 92 0.121 -12.779 -6.020 480 HE1 PHE 92 1HE PHE 92 4.956 -12.869 -5.061 481 HE2 PHE 92 2HE PHE 92 1.757 -13.521 -7.773 482 HZ PHE 92 HZ PHE 92 4.155 -13.556 -7.272 483 H LEU 93 H LEU 93 -1.276 -11.341 -1.366 484 HA LEU 93 HA LEU 93 -0.054 -12.512 0.873 485 2HB LEU 93 2HB LEU 93 -1.251 -10.902 2.143 486 HG LEU 93 HG LEU 93 -1.044 -9.409 -0.455 487 1HD1 LEU 93 1HD1 LEU 93 0.124 -7.798 1.223 488 2HD1 LEU 93 2HD1 LEU 93 -1.649 -7.960 1.241 489 3HD1 LEU 93 3HD1 LEU 93 -0.666 -8.804 2.462 490 1HD2 LEU 93 1HD2 LEU 93 1.132 -10.910 0.885 491 2HD2 LEU 93 2HD2 LEU 93 0.955 -10.396 -0.810 492 3HD2 LEU 93 3HD2 LEU 93 1.500 -9.231 0.421 493 H ASN 94 H ASN 94 -2.125 -12.624 2.818 494 HA ASN 94 HA ASN 94 -3.209 -15.185 2.063 495 2HB ASN 94 2HB ASN 94 -3.916 -15.136 4.585 496 1HD2 ASN 94 1HD2 ASN 94 -0.712 -13.785 3.901 497 2HD2 ASN 94 2HD2 ASN 94 0.209 -15.224 4.190 498 H GLY 95 H GLY 95 -4.073 -11.862 2.155 499 1HA GLY 95 1HA GLY 95 -6.197 -11.247 1.233 500 2HA GLY 95 2HA GLY 95 -6.946 -12.547 2.137 501 H LYS 96 H LYS 96 -5.869 -12.301 4.698 502 HA LYS 96 HA LYS 96 -7.325 -10.057 5.651 503 2HB LYS 96 2HB LYS 96 -6.210 -10.909 7.870 504 2HG LYS 96 2HG LYS 96 -8.342 -12.118 6.135 505 2HD LYS 96 2HD LYS 96 -8.800 -13.748 8.093 506 2HE LYS 96 2HE LYS 96 -6.671 -15.222 7.199 507 1HZ LYS 96 1HZ LYS 96 -9.010 -14.546 5.557 508 2HZ LYS 96 2HZ LYS 96 -8.136 -15.923 5.491 509 3HZ LYS 96 3HZ LYS 96 -9.045 -15.596 6.807 510 H ASN 97 H ASN 97 -3.875 -10.842 5.092 511 HA ASN 97 HA ASN 97 -2.875 -8.663 6.496 512 2HB ASN 97 2HB ASN 97 -1.071 -9.184 4.372 513 1HD2 ASN 97 1HD2 ASN 97 -0.054 -11.688 5.443 514 2HD2 ASN 97 2HD2 ASN 97 0.580 -11.364 7.021 515 H ALA 98 H ALA 98 -4.181 -9.160 3.209 516 HA ALA 98 HA ALA 98 -3.135 -6.857 2.004 517 1HB ALA 98 1HB ALA 98 -4.007 -8.617 0.641 518 2HB ALA 98 2HB ALA 98 -5.573 -8.594 1.488 519 3HB ALA 98 3HB ALA 98 -5.113 -7.238 0.431 520 H ARG 99 H ARG 99 -6.082 -7.502 3.965 521 HA ARG 99 HA ARG 99 -7.194 -4.988 3.494 522 2HB ARG 99 2HB ARG 99 -8.068 -5.941 6.051 523 2HG ARG 99 2HG ARG 99 -9.252 -6.488 3.288 524 2HD ARG 99 2HD ARG 99 -10.479 -7.740 4.946 525 HE ARG 99 HE ARG 99 -10.873 -5.461 6.784 526 1HH1 ARG 99 2HH2 ARG 99 -9.088 -8.414 6.091 527 2HH1 ARG 99 1HH2 ARG 99 -8.568 -8.636 7.728 528 1HH2 ARG 99 2HH1 ARG 99 -10.187 -5.753 8.944 529 2HH2 ARG 99 1HH1 ARG 99 -9.198 -7.112 9.362 530 H GLU 100 H GLU 100 -5.015 -6.355 6.013 531 HA GLU 100 HA GLU 100 -5.120 -4.044 7.625 532 2HB GLU 100 2HB GLU 100 -3.036 -5.162 8.685 533 2HG GLU 100 2HG GLU 100 -5.791 -6.389 8.446 534 H PHE 101 H PHE 101 -3.042 -5.238 4.967 535 HA PHE 101 HA PHE 101 -0.942 -3.437 5.309 536 2HB PHE 101 2HB PHE 101 -2.227 -4.948 2.973 537 HD1 PHE 101 1HD PHE 101 -2.170 -3.031 1.379 538 HD2 PHE 101 2HD PHE 101 1.353 -4.526 3.211 539 HE1 PHE 101 1HE PHE 101 -0.776 -1.877 -0.360 540 HE2 PHE 101 2HE PHE 101 2.747 -3.372 1.471 541 HZ PHE 101 HZ PHE 101 1.666 -2.061 -0.294 542 H MET 102 H MET 102 -3.946 -3.262 3.282 543 HA MET 102 HA MET 102 -3.296 -0.784 2.186 544 2HB MET 102 2HB MET 102 -5.930 -0.797 1.837 545 2HG MET 102 2HG MET 102 -5.744 -2.578 0.102 546 1HE MET 102 1HE MET 102 -4.902 0.891 -1.324 547 2HE MET 102 2HE MET 102 -6.023 -0.491 -1.353 548 3HE MET 102 3HE MET 102 -5.783 0.428 0.152 549 H GLY 103 H GLY 103 -4.935 -1.780 5.196 550 1HA GLY 103 1HA GLY 103 -5.980 0.827 5.789 551 2HA GLY 103 2HA GLY 103 -5.930 -0.574 6.839 552 H GLU 104 H GLU 104 -2.868 0.099 5.361 553 HA GLU 104 HA GLU 104 -2.077 1.629 7.712 554 2HB GLU 104 2HB GLU 104 0.169 0.306 7.458 555 2HG GLU 104 2HG GLU 104 -1.521 -1.779 8.442 556 H LEU 105 H LEU 105 -1.763 0.877 4.257 557 HA LEU 105 HA LEU 105 0.234 2.985 3.962 558 2HB LEU 105 2HB LEU 105 -0.304 0.492 2.666 559 HG LEU 105 HG LEU 105 0.165 1.170 0.341 560 1HD1 LEU 105 1HD1 LEU 105 -2.281 0.975 1.598 561 2HD1 LEU 105 2HD1 LEU 105 -2.422 2.495 0.681 562 3HD1 LEU 105 3HD1 LEU 105 -2.003 0.984 -0.161 563 1HD2 LEU 105 1HD2 LEU 105 -0.925 3.861 0.501 564 2HD2 LEU 105 2HD2 LEU 105 0.589 3.699 1.425 565 3HD2 LEU 105 3HD2 LEU 105 0.549 3.265 -0.301 566 H TRP 106 H TRP 106 -3.147 2.096 3.218 567 HA TRP 106 HA TRP 106 -3.671 4.162 1.416 568 2HB TRP 106 2HB TRP 106 -5.681 3.012 3.341 569 HD1 TRP 106 HD TRP 106 -7.924 4.171 2.708 570 HE1 TRP 106 1HE TRP 106 -9.136 5.118 0.562 571 HE3 TRP 106 3HE TRP 106 -4.129 3.167 -0.524 572 HZ2 TRP 106 2HZ TRP 106 -8.389 5.335 -2.183 573 HZ3 TRP 106 3HZ TRP 106 -4.450 3.778 -2.919 574 HH2 TRP 106 HH TRP 106 -6.490 4.827 -3.763 575 HA PRO 107 HA PRO 107 -4.700 6.550 5.402 576 2HB PRO 107 2HB PRO 107 -5.337 5.310 7.235 577 2HG PRO 107 2HG PRO 107 -4.697 3.096 7.169 578 2HD PRO 107 2HD PRO 107 -4.483 2.800 4.899 579 H LEU 108 H LEU 108 -1.611 5.055 5.040 580 HA LEU 108 HA LEU 108 -0.083 7.002 6.303 581 2HB LEU 108 2HB LEU 108 1.193 5.880 3.957 582 HG LEU 108 HG LEU 108 1.888 6.343 6.628 583 1HD1 LEU 108 1HD1 LEU 108 1.807 3.369 6.060 584 2HD1 LEU 108 2HD1 LEU 108 2.745 4.127 7.369 585 3HD1 LEU 108 3HD1 LEU 108 0.969 4.248 7.361 586 1HD2 LEU 108 1HD2 LEU 108 4.052 6.007 5.900 587 2HD2 LEU 108 2HD2 LEU 108 3.599 4.667 4.819 588 3HD2 LEU 108 3HD2 LEU 108 3.200 6.344 4.373 589 H LEU 109 H LEU 109 -1.403 6.794 2.956 590 HA LEU 109 HA LEU 109 -0.102 9.186 2.132 591 2HB LEU 109 2HB LEU 109 -1.274 8.910 0.101 592 HG LEU 109 HG LEU 109 -0.644 6.198 1.281 593 1HD1 LEU 109 1HD1 LEU 109 -2.021 6.866 -1.238 594 2HD1 LEU 109 2HD1 LEU 109 -0.625 5.774 -1.410 595 3HD1 LEU 109 3HD1 LEU 109 -1.965 5.342 -0.319 596 1HD2 LEU 109 1HD2 LEU 109 1.175 6.495 -0.617 597 2HD2 LEU 109 2HD2 LEU 109 0.835 8.222 -0.345 598 3HD2 LEU 109 3HD2 LEU 109 1.389 7.200 1.003 599 H LEU 110 H LEU 110 -3.190 8.327 3.681 600 HA LEU 110 HA LEU 110 -4.626 10.614 3.153 601 2HB LEU 110 2HB LEU 110 -5.469 10.019 5.626 602 HG LEU 110 HG LEU 110 -7.123 9.583 4.123 603 1HD1 LEU 110 1HD1 LEU 110 -4.961 8.365 2.449 604 2HD1 LEU 110 2HD1 LEU 110 -6.658 7.935 2.127 605 3HD1 LEU 110 3HD1 LEU 110 -6.141 9.636 2.051 606 1HD2 LEU 110 1HD2 LEU 110 -7.925 7.560 4.682 607 2HD2 LEU 110 2HD2 LEU 110 -6.487 6.702 4.082 608 3HD2 LEU 110 3HD2 LEU 110 -6.462 7.464 5.692 609 H SER 111 H SER 111 -2.103 9.982 5.647 610 HA SER 111 HA SER 111 -2.439 12.575 6.751 611 2HB SER 111 2HB SER 111 0.104 11.434 7.469 612 HG SER 111 HG SER 111 -0.956 12.419 9.118 613 H ALA 112 H ALA 112 -0.329 10.965 4.356 614 HA ALA 112 HA ALA 112 1.651 12.933 4.212 615 1HB ALA 112 1HB ALA 112 1.857 10.640 3.312 616 2HB ALA 112 2HB ALA 112 0.617 11.010 2.090 617 3HB ALA 112 3HB ALA 112 2.181 11.859 2.057 618 H GLN 113 H GLN 113 -1.455 12.457 2.413 619 HA GLN 113 HA GLN 113 -1.092 14.616 0.719 620 2HB GLN 113 2HB GLN 113 -2.758 12.846 0.319 621 2HG GLN 113 2HG GLN 113 -4.018 14.006 2.833 622 1HE2 GLN 113 1HE2 GLN 113 -4.648 11.433 0.453 623 2HE2 GLN 113 2HE2 GLN 113 -6.343 11.730 0.250 624 H GLU 114 H GLU 114 -1.650 14.498 4.116 625 HA GLU 114 HA GLU 114 -2.965 17.065 4.140 626 2HB GLU 114 2HB GLU 114 -2.940 16.674 6.665 627 2HG GLU 114 2HG GLU 114 -4.227 14.212 5.915 628 H ASN 115 H ASN 115 0.199 15.795 4.022 629 HA ASN 115 HA ASN 115 1.362 17.793 5.697 630 2HB ASN 115 2HB ASN 115 3.164 16.400 3.798 631 1HD2 ASN 115 1HD2 ASN 115 2.112 15.497 7.046 632 2HD2 ASN 115 2HD2 ASN 115 3.523 16.023 7.903 633 H ILE 116 H ILE 116 3.724 18.271 3.954 634 HA ILE 116 HA ILE 116 2.450 19.914 1.877 635 HB ILE 116 HB ILE 116 3.530 21.018 3.951 636 2HG1 ILE 116 2HG1 ILE 116 3.801 22.947 2.731 637 1HG2 ILE 116 1HG2 ILE 116 5.948 21.474 3.683 638 2HG2 ILE 116 2HG2 ILE 116 5.593 19.761 4.013 639 3HG2 ILE 116 3HG2 ILE 116 6.004 20.283 2.361 640 1HD1 ILE 116 1HD1 ILE 116 5.786 22.618 1.488 641 2HD1 ILE 116 2HD1 ILE 116 5.151 21.163 0.685 642 3HD1 ILE 116 3HD1 ILE 116 4.544 22.771 0.223 643 H ALA 117 H ALA 117 5.268 17.891 2.842 644 HA ALA 117 HA ALA 117 6.182 17.872 0.083 645 1HB ALA 117 1HB ALA 117 7.781 16.149 1.577 646 2HB ALA 117 2HB ALA 117 8.121 17.864 1.241 647 3HB ALA 117 3HB ALA 117 7.308 17.398 2.754 648 H GLY 118 H GLY 118 3.622 16.530 1.456 649 1HA GLY 118 1HA GLY 118 2.401 14.686 1.063 650 2HA GLY 118 2HA GLY 118 3.437 14.370 -0.314 651 H ILE 119 H ILE 119 4.403 14.583 3.162 652 HA ILE 119 HA ILE 119 5.067 11.725 3.015 653 HB ILE 119 HB ILE 119 6.731 14.065 3.677 654 2HG1 ILE 119 2HG1 ILE 119 7.149 11.288 2.572 655 1HG2 ILE 119 1HG2 ILE 119 8.078 12.904 5.340 656 2HG2 ILE 119 2HG2 ILE 119 6.410 13.123 5.920 657 3HG2 ILE 119 3HG2 ILE 119 6.943 11.532 5.327 658 1HD1 ILE 119 1HD1 ILE 119 8.100 12.670 0.680 659 2HD1 ILE 119 2HD1 ILE 119 6.365 12.947 0.964 660 3HD1 ILE 119 3HD1 ILE 119 7.561 14.131 1.542 661 HA PRO 120 HA PRO 120 2.546 11.566 6.536 662 2HB PRO 120 2HB PRO 120 1.811 9.453 5.992 663 2HG PRO 120 2HG PRO 120 3.155 8.320 4.498 664 2HD PRO 120 2HD PRO 120 4.185 10.091 3.453 665 H SER 121 H SER 121 2.522 11.522 8.838 666 HA SER 121 HA SER 121 4.937 12.462 9.833 667 2HB SER 121 2HB SER 121 2.605 12.940 10.724 668 HG SER 121 HG SER 121 1.888 11.418 12.403 669 H ALA 122 H ALA 122 3.862 9.277 9.132 670 HA ALA 122 HA ALA 122 4.921 7.797 11.226 671 1HB ALA 122 1HB ALA 122 3.784 6.359 9.906 672 2HB ALA 122 2HB ALA 122 3.991 7.386 8.467 673 3HB ALA 122 3HB ALA 122 5.276 6.251 8.943 674 H PHE 123 H PHE 123 6.451 9.532 8.541 675 HA PHE 123 HA PHE 123 9.008 8.297 9.250 676 2HB PHE 123 2HB PHE 123 9.676 9.369 7.032 677 HD1 PHE 123 1HD PHE 123 6.299 8.808 5.976 678 HD2 PHE 123 2HD PHE 123 9.915 6.843 7.008 679 HE1 PHE 123 1HE PHE 123 5.513 6.740 4.791 680 HE2 PHE 123 2HE PHE 123 9.129 4.775 5.823 681 HZ PHE 123 HZ PHE 123 6.938 4.747 4.728 682 H LEU 124 H LEU 124 7.311 11.451 8.783 683 HA LEU 124 HA LEU 124 9.329 13.203 9.124 684 2HB LEU 124 2HB LEU 124 7.674 14.716 10.101 685 HG LEU 124 HG LEU 124 6.450 12.987 7.932 686 1HD1 LEU 124 1HD1 LEU 124 5.705 15.748 8.930 687 2HD1 LEU 124 2HD1 LEU 124 5.113 15.028 7.413 688 3HD1 LEU 124 3HD1 LEU 124 4.713 14.271 8.973 689 1HD2 LEU 124 1HD2 LEU 124 7.263 14.862 6.442 690 2HD2 LEU 124 2HD2 LEU 124 8.248 15.414 7.817 691 3HD2 LEU 124 3HD2 LEU 124 8.520 13.800 7.119 692 H GLU 125 H GLU 125 7.338 11.947 11.899 693 HA GLU 125 HA GLU 125 9.030 12.954 13.820 694 2HB GLU 125 2HB GLU 125 7.158 10.548 13.925 695 2HG GLU 125 2HG GLU 125 9.070 11.296 15.840 696 H LEU 126 H LEU 126 8.671 9.436 12.942 697 HA LEU 126 HA LEU 126 10.997 8.646 14.233 698 2HB LEU 126 2HB LEU 126 10.747 6.717 12.437 699 HG LEU 126 HG LEU 126 8.992 7.310 14.792 700 1HD1 LEU 126 1HD1 LEU 126 7.932 5.029 14.437 701 2HD1 LEU 126 2HD1 LEU 126 7.352 6.349 13.393 702 3HD1 LEU 126 3HD1 LEU 126 8.491 5.140 12.750 703 1HD2 LEU 126 1HD2 LEU 126 9.973 5.056 15.480 704 2HD2 LEU 126 2HD2 LEU 126 11.057 5.229 14.079 705 3HD2 LEU 126 3HD2 LEU 126 11.090 6.438 15.384 706 H LYS 127 H LYS 127 12.703 7.311 12.616 707 HA LYS 127 HA LYS 127 13.555 9.198 10.562 708 2HB LYS 127 2HB LYS 127 15.947 8.830 11.551 709 2HG LYS 127 2HG LYS 127 13.811 10.786 12.112 710 2HD LYS 127 2HD LYS 127 16.095 10.410 14.102 711 2HE LYS 127 2HE LYS 127 15.490 12.847 13.131 712 1HZ LYS 127 1HZ LYS 127 13.148 12.068 14.366 713 2HZ LYS 127 2HZ LYS 127 13.814 13.218 15.316 714 3HZ LYS 127 3HZ LYS 127 13.509 13.534 13.743 715 H LYS 128 H LYS 128 12.468 7.317 9.392 716 HA LYS 128 HA LYS 128 13.450 4.748 9.471 717 2HB LYS 128 2HB LYS 128 12.681 4.829 6.953 718 2HG LYS 128 2HG LYS 128 10.271 4.865 7.776 719 2HD LYS 128 2HD LYS 128 12.467 3.134 8.731 720 2HE LYS 128 2HE LYS 128 10.310 2.083 10.179 721 1HZ LYS 128 1HZ LYS 128 11.757 2.272 11.905 722 2HZ LYS 128 2HZ LYS 128 12.802 2.427 10.659 723 3HZ LYS 128 3HZ LYS 128 12.306 3.750 11.479 724 H GLU 129 H GLU 129 15.479 3.998 9.233 725 HA GLU 129 HA GLU 129 17.471 5.622 8.114 726 2HB GLU 129 2HB GLU 129 17.847 2.649 8.445 727 2HG GLU 129 2HG GLU 129 19.501 4.994 8.263 728 H GLU 130 H GLU 130 17.102 6.154 5.943 729 HA GLU 130 HA GLU 130 17.105 3.851 4.154 730 2HB GLU 130 2HB GLU 130 15.671 6.505 3.695 731 2HG GLU 130 2HG GLU 130 14.778 4.288 2.062 732 H ILE 131 H ILE 131 19.373 3.891 3.829 733 HA ILE 131 HA ILE 131 20.522 6.414 2.942 734 HB ILE 131 HB ILE 131 21.782 3.752 3.610 735 2HG1 ILE 131 2HG1 ILE 131 21.253 6.245 5.195 736 1HG2 ILE 131 1HG2 ILE 131 23.450 4.547 2.328 737 2HG2 ILE 131 2HG2 ILE 131 22.849 6.221 2.389 738 3HG2 ILE 131 3HG2 ILE 131 23.794 5.565 3.748 739 1HD1 ILE 131 1HD1 ILE 131 19.794 4.417 5.708 740 2HD1 ILE 131 2HD1 ILE 131 21.123 3.235 5.628 741 3HD1 ILE 131 3HD1 ILE 131 21.039 4.392 6.979 742 H LYS 132 H LYS 132 19.004 6.242 0.993 743 HA LYS 132 HA LYS 132 20.539 5.417 -1.212 744 2HB LYS 132 2HB LYS 132 19.455 3.222 -0.192 745 2HG LYS 132 2HG LYS 132 17.268 4.384 -1.982 746 2HD LYS 132 2HD LYS 132 16.503 1.941 -0.696 747 2HE LYS 132 2HE LYS 132 17.229 1.822 -3.576 748 1HZ LYS 132 1HZ LYS 132 15.279 0.761 -3.635 749 2HZ LYS 132 2HZ LYS 132 15.478 0.622 -2.020 750 3HZ LYS 132 3HZ LYS 132 14.517 1.796 -2.626 751 H GLN 133 H GLN 133 19.243 5.789 -3.308 752 HA GLN 133 HA GLN 133 16.878 7.346 -2.940 753 2HB GLN 133 2HB GLN 133 18.895 8.866 -4.507 754 2HG GLN 133 2HG GLN 133 16.804 9.480 -2.376 755 1HE2 GLN 133 1HE2 GLN 133 17.546 11.712 -4.823 756 2HE2 GLN 133 2HE2 GLN 133 18.417 12.885 -3.892 757 H ARG 134 H ARG 134 15.745 7.724 -4.983 758 HA ARG 134 HA ARG 134 14.962 6.838 -6.823 759 2HB ARG 134 2HB ARG 134 17.011 6.972 -8.694 760 2HG ARG 134 2HG ARG 134 15.138 9.016 -7.491 761 2HD ARG 134 2HD ARG 134 17.500 9.562 -9.294 762 HE ARG 134 HE ARG 134 16.018 10.557 -10.802 763 1HH1 ARG 134 2HH2 ARG 134 14.837 11.081 -7.529 764 2HH1 ARG 134 1HH2 ARG 134 13.551 12.132 -8.024 765 1HH2 ARG 134 2HH1 ARG 134 14.323 11.943 -11.456 766 2HH2 ARG 134 1HH1 ARG 134 13.257 12.624 -10.273 Start of MODEL 19 1 1H SER 24 H SER 24 -6.717 -9.168 -15.850 2 HA SER 24 HA SER 24 -8.267 -8.931 -14.324 3 2HB SER 24 2HB SER 24 -9.927 -10.842 -14.215 4 HG SER 24 HG SER 24 -9.809 -9.310 -16.075 5 H HIS 25 H HIS 25 -6.051 -11.640 -13.849 6 HA HIS 25 HA HIS 25 -5.368 -12.745 -12.068 7 2HB HIS 25 2HB HIS 25 -4.770 -11.388 -10.128 8 HD1 HIS 25 1HD HIS 25 -5.141 -8.827 -12.924 9 HD2 HIS 25 2HD HIS 25 -2.232 -11.341 -11.248 10 HE1 HIS 25 1HE HIS 25 -2.924 -8.174 -14.004 11 H MET 26 H MET 26 -6.670 -11.315 -9.350 12 HA MET 26 HA MET 26 -8.991 -13.082 -9.444 13 2HB MET 26 2HB MET 26 -7.338 -14.134 -7.998 14 2HG MET 26 2HG MET 26 -6.531 -12.661 -5.952 15 1HE MET 26 1HE MET 26 -4.340 -10.563 -6.848 16 2HE MET 26 2HE MET 26 -3.576 -10.839 -8.432 17 3HE MET 26 3HE MET 26 -5.253 -10.248 -8.344 18 H GLN 27 H GLN 27 -10.656 -12.487 -7.656 19 HA GLN 27 HA GLN 27 -10.555 -9.652 -7.067 20 2HB GLN 27 2HB GLN 27 -11.858 -9.602 -9.061 21 2HG GLN 27 2HG GLN 27 -13.900 -11.137 -9.283 22 1HE2 GLN 27 1HE2 GLN 27 -12.035 -10.580 -10.926 23 2HE2 GLN 27 2HE2 GLN 27 -11.107 -11.940 -11.468 24 H LEU 28 H LEU 28 -11.707 -9.055 -5.152 25 HA LEU 28 HA LEU 28 -13.369 -10.960 -3.834 26 2HB LEU 28 2HB LEU 28 -11.548 -12.104 -3.079 27 HG LEU 28 HG LEU 28 -9.456 -11.136 -2.207 28 1HD1 LEU 28 1HD1 LEU 28 -9.696 -10.076 -4.998 29 2HD1 LEU 28 2HD1 LEU 28 -8.401 -11.035 -4.244 30 3HD1 LEU 28 3HD1 LEU 28 -9.936 -11.814 -4.698 31 1HD2 LEU 28 1HD2 LEU 28 -10.245 -8.496 -3.437 32 2HD2 LEU 28 2HD2 LEU 28 -10.544 -8.871 -1.722 33 3HD2 LEU 28 3HD2 LEU 28 -8.880 -8.868 -2.356 34 H LYS 29 H LYS 29 -13.386 -9.947 -1.271 35 HA LYS 29 HA LYS 29 -14.409 -7.294 -1.794 36 2HB LYS 29 2HB LYS 29 -14.593 -9.226 0.519 37 2HG LYS 29 2HG LYS 29 -15.637 -6.358 0.358 38 2HD LYS 29 2HD LYS 29 -16.957 -8.428 1.526 39 2HE LYS 29 2HE LYS 29 -15.735 -7.375 4.004 40 1HZ LYS 29 1HZ LYS 29 -17.209 -9.486 3.247 41 2HZ LYS 29 2HZ LYS 29 -15.746 -10.169 3.487 42 3HZ LYS 29 3HZ LYS 29 -16.465 -9.332 4.692 43 H PHE 30 H PHE 30 -13.834 -5.437 -0.405 44 HA PHE 30 HA PHE 30 -11.049 -5.659 0.499 45 2HB PHE 30 2HB PHE 30 -10.734 -4.009 -1.099 46 HD1 PHE 30 1HD PHE 30 -14.285 -3.126 -0.377 47 HD2 PHE 30 2HD PHE 30 -11.455 -4.425 -3.260 48 HE1 PHE 30 1HE PHE 30 -16.033 -2.956 -2.171 49 HE2 PHE 30 2HE PHE 30 -13.202 -4.256 -5.053 50 HZ PHE 30 HZ PHE 30 -15.471 -3.522 -4.487 51 H ALA 31 H ALA 31 -10.751 -3.217 1.761 52 HA ALA 31 HA ALA 31 -12.384 -3.649 4.107 53 1HB ALA 31 1HB ALA 31 -10.418 -3.090 5.041 54 2HB ALA 31 2HB ALA 31 -9.757 -2.603 3.462 55 3HB ALA 31 3HB ALA 31 -10.660 -1.429 4.449 56 H GLU 32 H GLU 32 -12.488 -1.014 5.142 57 HA GLU 32 HA GLU 32 -14.385 0.146 3.255 58 2HB GLU 32 2HB GLU 32 -15.458 -0.628 5.317 59 2HG GLU 32 2HG GLU 32 -13.309 1.073 6.642 60 H CYS 33 H CYS 33 -11.621 0.725 5.446 61 HA CYS 33 HA CYS 33 -11.647 3.517 5.263 62 2HB CYS 33 2HB CYS 33 -9.267 3.336 6.029 63 HG CYS 33 HG CYS 33 -11.931 2.848 7.323 64 H LEU 34 H LEU 34 -11.040 1.025 2.968 65 HA LEU 34 HA LEU 34 -9.019 2.341 1.464 66 2HB LEU 34 2HB LEU 34 -9.288 0.597 -0.091 67 HG LEU 34 HG LEU 34 -10.197 -0.842 2.392 68 1HD1 LEU 34 1HD1 LEU 34 -8.630 -2.560 1.596 69 2HD1 LEU 34 2HD1 LEU 34 -9.879 -2.181 0.387 70 3HD1 LEU 34 3HD1 LEU 34 -8.231 -1.539 0.193 71 1HD2 LEU 34 1HD2 LEU 34 -7.460 0.365 1.920 72 2HD2 LEU 34 2HD2 LEU 34 -8.603 0.760 3.225 73 3HD2 LEU 34 3HD2 LEU 34 -7.838 -0.847 3.167 74 H GLU 35 H GLU 35 -12.206 3.156 2.121 75 HA GLU 35 HA GLU 35 -12.625 4.226 -0.545 76 2HB GLU 35 2HB GLU 35 -14.941 4.466 0.046 77 2HG GLU 35 2HG GLU 35 -14.529 2.011 1.672 78 H LYS 36 H LYS 36 -10.602 5.267 1.425 79 HA LYS 36 HA LYS 36 -11.791 7.831 2.144 80 2HB LYS 36 2HB LYS 36 -9.475 8.088 3.270 81 2HG LYS 36 2HG LYS 36 -10.453 5.982 4.866 82 2HD LYS 36 2HD LYS 36 -11.962 8.418 5.329 83 2HE LYS 36 2HE LYS 36 -9.616 8.273 6.974 84 1HZ LYS 36 1HZ LYS 36 -12.057 8.693 7.466 85 2HZ LYS 36 2HZ LYS 36 -12.198 7.072 7.613 86 3HZ LYS 36 3HZ LYS 36 -11.183 7.896 8.592 87 H LYS 37 H LYS 37 -10.302 6.361 -0.491 88 HA LYS 37 HA LYS 37 -9.210 7.090 -2.270 89 2HB LYS 37 2HB LYS 37 -9.795 9.463 -2.995 90 2HG LYS 37 2HG LYS 37 -11.325 7.084 -2.907 91 2HD LYS 37 2HD LYS 37 -12.673 9.252 -1.463 92 2HE LYS 37 2HE LYS 37 -14.407 7.995 -3.590 93 1HZ LYS 37 1HZ LYS 37 -14.692 9.831 -1.557 94 2HZ LYS 37 2HZ LYS 37 -14.876 10.665 -2.950 95 3HZ LYS 37 3HZ LYS 37 -15.819 9.368 -2.643 96 H VAL 38 H VAL 38 -7.597 8.914 -3.128 97 HA VAL 38 HA VAL 38 -6.078 10.119 -0.997 98 HB VAL 38 HB VAL 38 -4.042 8.953 -1.416 99 1HG1 VAL 38 1HG1 VAL 38 -5.611 7.930 0.199 100 2HG1 VAL 38 2HG1 VAL 38 -6.272 6.913 -1.104 101 3HG1 VAL 38 3HG1 VAL 38 -4.577 6.718 -0.596 102 1HG2 VAL 38 1HG2 VAL 38 -4.975 8.472 -3.933 103 2HG2 VAL 38 2HG2 VAL 38 -3.565 7.664 -3.208 104 3HG2 VAL 38 3HG2 VAL 38 -5.155 6.864 -3.189 105 H ASP 39 H ASP 39 -3.700 10.502 -2.616 106 HA ASP 39 HA ASP 39 -4.400 11.394 -5.160 107 2HB ASP 39 2HB ASP 39 -3.775 13.730 -3.353 108 H MET 40 H MET 40 -2.380 10.441 -5.754 109 HA MET 40 HA MET 40 -0.063 10.739 -4.258 110 2HB MET 40 2HB MET 40 1.038 9.837 -6.336 111 2HG MET 40 2HG MET 40 -0.664 7.898 -6.757 112 1HE MET 40 1HE MET 40 -1.285 9.095 -3.436 113 2HE MET 40 2HE MET 40 -0.493 7.909 -2.370 114 3HE MET 40 3HE MET 40 0.360 9.403 -2.828 115 H SER 41 H SER 41 -1.667 12.856 -6.553 116 HA SER 41 HA SER 41 0.636 14.270 -7.329 117 2HB SER 41 2HB SER 41 -1.787 15.878 -7.446 118 HG SER 41 HG SER 41 -1.432 15.292 -9.816 119 H LYS 42 H LYS 42 -0.935 13.992 -4.353 120 HA LYS 42 HA LYS 42 -0.061 16.685 -3.564 121 2HB LYS 42 2HB LYS 42 -1.856 16.874 -2.089 122 2HG LYS 42 2HG LYS 42 -3.908 16.122 -3.408 123 2HD LYS 42 2HD LYS 42 -2.508 17.256 -5.634 124 2HE LYS 42 2HE LYS 42 -4.651 17.906 -3.802 125 1HZ LYS 42 1HZ LYS 42 -2.710 20.041 -4.336 126 2HZ LYS 42 2HZ LYS 42 -4.258 20.323 -3.899 127 3HZ LYS 42 3HZ LYS 42 -3.250 19.542 -2.878 128 H VAL 43 H VAL 43 -0.228 13.184 -2.801 129 HA VAL 43 HA VAL 43 1.764 13.666 -0.697 130 HB VAL 43 HB VAL 43 0.217 12.554 0.476 131 1HG1 VAL 43 1HG1 VAL 43 -1.583 11.183 -0.445 132 2HG1 VAL 43 2HG1 VAL 43 -1.466 12.729 -1.321 133 3HG1 VAL 43 3HG1 VAL 43 -0.826 11.239 -2.055 134 1HG2 VAL 43 1HG2 VAL 43 2.015 10.941 0.415 135 2HG2 VAL 43 2HG2 VAL 43 0.462 10.072 0.393 136 3HG2 VAL 43 3HG2 VAL 43 1.403 10.251 -1.107 137 H ASN 44 H ASN 44 3.610 12.208 -0.590 138 HA ASN 44 HA ASN 44 4.436 11.501 -3.243 139 2HB ASN 44 2HB ASN 44 6.494 10.731 -1.523 140 1HD2 ASN 44 1HD2 ASN 44 8.054 12.738 -1.136 141 2HD2 ASN 44 2HD2 ASN 44 8.238 13.778 -2.508 142 H LEU 45 H LEU 45 4.550 9.352 -3.988 143 HA LEU 45 HA LEU 45 3.641 7.306 -2.130 144 2HB LEU 45 2HB LEU 45 2.912 7.890 -4.671 145 HG LEU 45 HG LEU 45 3.562 6.100 -6.145 146 1HD1 LEU 45 1HD1 LEU 45 6.301 6.886 -5.618 147 2HD1 LEU 45 2HD1 LEU 45 5.226 7.318 -6.971 148 3HD1 LEU 45 3HD1 LEU 45 5.190 8.269 -5.467 149 1HD2 LEU 45 1HD2 LEU 45 4.420 4.801 -3.830 150 2HD2 LEU 45 2HD2 LEU 45 4.558 4.220 -5.506 151 3HD2 LEU 45 3HD2 LEU 45 5.908 5.106 -4.758 152 H GLU 46 H GLU 46 6.508 8.473 -3.817 153 HA GLU 46 HA GLU 46 7.964 6.147 -3.875 154 2HB GLU 46 2HB GLU 46 9.746 8.308 -3.280 155 2HG GLU 46 2HG GLU 46 8.785 7.418 -6.032 156 H VAL 47 H VAL 47 7.344 8.475 -1.222 157 HA VAL 47 HA VAL 47 9.285 7.398 0.529 158 HB VAL 47 HB VAL 47 7.985 8.678 2.235 159 1HG1 VAL 47 1HG1 VAL 47 9.647 9.578 0.217 160 2HG1 VAL 47 2HG1 VAL 47 8.258 10.686 0.113 161 3HG1 VAL 47 3HG1 VAL 47 9.144 10.510 1.647 162 1HG2 VAL 47 1HG2 VAL 47 6.349 10.176 0.384 163 2HG2 VAL 47 2HG2 VAL 47 5.906 8.453 0.343 164 3HG2 VAL 47 3HG2 VAL 47 5.884 9.340 1.886 165 H ILE 48 H ILE 48 6.462 6.075 -0.775 166 HA ILE 48 HA ILE 48 6.062 4.412 1.612 167 HB ILE 48 HB ILE 48 4.040 4.403 -0.539 168 2HG1 ILE 48 2HG1 ILE 48 3.057 6.503 -0.021 169 1HG2 ILE 48 1HG2 ILE 48 4.053 3.216 1.776 170 2HG2 ILE 48 2HG2 ILE 48 3.564 4.809 2.399 171 3HG2 ILE 48 3HG2 ILE 48 2.558 3.982 1.187 172 1HD1 ILE 48 1HD1 ILE 48 4.362 8.089 1.555 173 2HD1 ILE 48 2HD1 ILE 48 3.413 6.795 2.323 174 3HD1 ILE 48 3HD1 ILE 48 5.177 6.625 2.156 175 H LYS 49 H LYS 49 7.585 4.557 -1.389 176 HA LYS 49 HA LYS 49 6.977 2.090 -2.515 177 2HB LYS 49 2HB LYS 49 9.747 2.865 -2.905 178 2HG LYS 49 2HG LYS 49 8.594 1.668 -4.636 179 2HD LYS 49 2HD LYS 49 6.539 3.313 -5.592 180 2HE LYS 49 2HE LYS 49 6.764 0.721 -4.124 181 1HZ LYS 49 1HZ LYS 49 4.832 0.896 -3.118 182 2HZ LYS 49 2HZ LYS 49 4.630 2.436 -3.625 183 3HZ LYS 49 3HZ LYS 49 4.079 1.197 -4.536 184 HA PRO 50 HA PRO 50 10.427 0.414 0.256 185 2HB PRO 50 2HB PRO 50 12.142 1.852 0.794 186 2HG PRO 50 2HG PRO 50 11.620 4.090 0.602 187 2HD PRO 50 2HD PRO 50 9.902 3.978 -0.921 188 H TRP 51 H TRP 51 7.928 2.325 1.673 189 HA TRP 51 HA TRP 51 7.713 0.700 4.003 190 2HB TRP 51 2HB TRP 51 5.739 2.637 2.781 191 HD1 TRP 51 HD TRP 51 6.482 2.815 6.469 192 HE1 TRP 51 1HE TRP 51 4.463 1.982 7.950 193 HE3 TRP 51 3HE TRP 51 3.833 0.773 2.639 194 HZ2 TRP 51 2HZ TRP 51 2.039 0.593 7.366 195 HZ3 TRP 51 3HZ TRP 51 1.650 -0.302 3.181 196 HH2 TRP 51 HH TRP 51 0.745 -0.411 5.448 197 H ILE 52 H ILE 52 6.164 0.901 0.751 198 HA ILE 52 HA ILE 52 4.299 -1.173 1.333 199 HB ILE 52 HB ILE 52 5.043 0.524 -0.979 200 2HG1 ILE 52 2HG1 ILE 52 2.968 0.398 0.897 201 1HG2 ILE 52 1HG2 ILE 52 5.165 -1.492 -2.172 202 2HG2 ILE 52 2HG2 ILE 52 3.820 -2.219 -1.262 203 3HG2 ILE 52 3HG2 ILE 52 3.501 -0.913 -2.429 204 1HD1 ILE 52 1HD1 ILE 52 1.995 2.226 -0.596 205 2HD1 ILE 52 2HD1 ILE 52 3.692 2.470 -0.117 206 3HD1 ILE 52 3HD1 ILE 52 3.305 1.874 -1.749 207 H THR 53 H THR 53 7.361 -0.936 -0.597 208 HA THR 53 HA THR 53 7.424 -3.618 -1.360 209 HB THR 53 HB THR 53 9.672 -1.593 -0.871 210 HG1 THR 53 1HG THR 53 7.600 -1.419 -2.418 211 1HG2 THR 53 1HG2 THR 53 10.785 -3.677 -1.282 212 2HG2 THR 53 2HG2 THR 53 9.504 -4.233 -2.388 213 3HG2 THR 53 3HG2 THR 53 10.628 -2.951 -2.900 214 H LYS 54 H LYS 54 8.511 -1.990 1.639 215 HA LYS 54 HA LYS 54 9.803 -4.339 2.609 216 2HB LYS 54 2HB LYS 54 8.966 -1.784 4.016 217 2HG LYS 54 2HG LYS 54 11.179 -3.671 4.866 218 2HD LYS 54 2HD LYS 54 9.359 -2.022 6.639 219 2HE LYS 54 2HE LYS 54 12.309 -2.196 7.048 220 1HZ LYS 54 1HZ LYS 54 10.059 -1.690 8.516 221 2HZ LYS 54 2HZ LYS 54 10.627 -3.105 9.100 222 3HZ LYS 54 3HZ LYS 54 11.591 -1.787 9.074 223 H ARG 55 H ARG 55 6.566 -2.827 2.886 224 HA ARG 55 HA ARG 55 5.710 -4.482 4.954 225 2HB ARG 55 2HB ARG 55 3.380 -3.813 3.622 226 2HG ARG 55 2HG ARG 55 3.379 -1.739 5.021 227 2HD ARG 55 2HD ARG 55 4.012 -4.449 6.014 228 HE ARG 55 HE ARG 55 5.540 -2.568 7.298 229 1HH1 ARG 55 2HH2 ARG 55 2.641 -4.313 8.267 230 2HH1 ARG 55 1HH2 ARG 55 3.033 -4.283 9.953 231 1HH2 ARG 55 2HH1 ARG 55 6.057 -2.530 9.523 232 2HH2 ARG 55 1HH1 ARG 55 4.989 -3.263 10.673 233 H VAL 56 H VAL 56 5.260 -4.591 1.349 234 HA VAL 56 HA VAL 56 3.749 -6.947 1.336 235 HB VAL 56 HB VAL 56 4.490 -7.015 -1.071 236 1HG1 VAL 56 1HG1 VAL 56 3.063 -5.245 -1.710 237 2HG1 VAL 56 2HG1 VAL 56 2.483 -5.748 -0.104 238 3HG1 VAL 56 3HG1 VAL 56 3.475 -4.280 -0.272 239 1HG2 VAL 56 1HG2 VAL 56 6.453 -5.144 -0.050 240 2HG2 VAL 56 2HG2 VAL 56 6.367 -5.948 -1.636 241 3HG2 VAL 56 3HG2 VAL 56 5.510 -4.412 -1.371 242 H THR 57 H THR 57 7.270 -6.278 1.338 243 HA THR 57 HA THR 57 8.019 -8.962 0.778 244 HB THR 57 HB THR 57 9.467 -6.550 1.987 245 HG1 THR 57 1HG THR 57 10.272 -6.634 -0.304 246 1HG2 THR 57 1HG2 THR 57 11.515 -7.816 1.067 247 2HG2 THR 57 2HG2 THR 57 10.818 -8.489 2.559 248 3HG2 THR 57 3HG2 THR 57 10.477 -9.259 0.990 249 H GLU 58 H GLU 58 7.494 -7.071 3.792 250 HA GLU 58 HA GLU 58 8.406 -9.190 5.413 251 2HB GLU 58 2HB GLU 58 7.027 -7.721 7.175 252 2HG GLU 58 2HG GLU 58 9.280 -6.159 5.988 253 H ILE 59 H ILE 59 5.339 -8.298 3.897 254 HA ILE 59 HA ILE 59 3.575 -9.627 5.569 255 HB ILE 59 HB ILE 59 3.592 -8.816 2.695 256 2HG1 ILE 59 2HG1 ILE 59 3.106 -7.361 4.834 257 1HG2 ILE 59 1HG2 ILE 59 1.350 -10.401 3.975 258 2HG2 ILE 59 2HG2 ILE 59 1.355 -9.678 2.349 259 3HG2 ILE 59 3HG2 ILE 59 2.468 -11.013 2.733 260 1HD1 ILE 59 1HD1 ILE 59 2.707 -6.057 3.005 261 2HD1 ILE 59 2HD1 ILE 59 1.979 -7.403 2.097 262 3HD1 ILE 59 3HD1 ILE 59 0.997 -6.481 3.262 263 H LEU 60 H LEU 60 5.494 -10.819 2.745 264 HA LEU 60 HA LEU 60 4.645 -13.527 3.453 265 2HB LEU 60 2HB LEU 60 4.471 -13.836 1.286 266 HG LEU 60 HG LEU 60 4.358 -11.173 1.244 267 1HD1 LEU 60 1HD1 LEU 60 6.740 -10.778 1.148 268 2HD1 LEU 60 2HD1 LEU 60 6.888 -11.797 -0.305 269 3HD1 LEU 60 3HD1 LEU 60 5.988 -10.263 -0.381 270 1HD2 LEU 60 1HD2 LEU 60 3.579 -11.318 -0.942 271 2HD2 LEU 60 2HD2 LEU 60 4.747 -12.584 -1.386 272 3HD2 LEU 60 3HD2 LEU 60 3.373 -12.973 -0.323 273 H GLY 61 H GLY 61 7.550 -11.472 2.817 274 1HA GLY 61 1HA GLY 61 9.285 -11.823 4.579 275 2HA GLY 61 2HA GLY 61 9.163 -13.530 4.204 276 H PHE 62 H PHE 62 8.557 -12.287 1.250 277 HA PHE 62 HA PHE 62 11.385 -11.861 0.609 278 2HB PHE 62 2HB PHE 62 10.932 -14.122 -0.094 279 HD1 PHE 62 1HD PHE 62 8.352 -12.708 -2.311 280 HD2 PHE 62 2HD PHE 62 9.134 -15.276 0.976 281 HE1 PHE 62 1HE PHE 62 6.028 -13.641 -2.486 282 HE2 PHE 62 2HE PHE 62 6.811 -16.208 0.802 283 HZ PHE 62 HZ PHE 62 5.285 -15.380 -0.928 284 H GLU 63 H GLU 63 11.766 -10.614 -1.366 285 HA GLU 63 HA GLU 63 9.852 -8.557 -1.616 286 2HB GLU 63 2HB GLU 63 12.239 -9.011 -3.444 287 2HG GLU 63 2HG GLU 63 11.716 -6.324 -2.374 288 H ASP 64 H ASP 64 7.958 -8.863 -2.713 289 HA ASP 64 HA ASP 64 7.690 -10.856 -4.645 290 2HB ASP 64 2HB ASP 64 5.442 -10.178 -4.762 291 H ASP 65 H ASP 65 5.984 -9.086 -6.488 292 HA ASP 65 HA ASP 65 7.697 -7.157 -7.589 293 2HB ASP 65 2HB ASP 65 7.386 -8.945 -9.808 294 H VAL 66 H VAL 66 5.110 -9.632 -8.167 295 HA VAL 66 HA VAL 66 3.720 -8.053 -10.071 296 HB VAL 66 HB VAL 66 3.760 -10.642 -9.504 297 1HG1 VAL 66 1HG1 VAL 66 2.764 -10.395 -7.269 298 2HG1 VAL 66 2HG1 VAL 66 1.313 -9.660 -7.995 299 3HG1 VAL 66 3HG1 VAL 66 1.721 -11.358 -8.344 300 1HG2 VAL 66 1HG2 VAL 66 2.583 -10.521 -11.395 301 2HG2 VAL 66 2HG2 VAL 66 1.116 -10.288 -10.414 302 3HG2 VAL 66 3HG2 VAL 66 2.027 -8.876 -11.001 303 H VAL 67 H VAL 67 3.421 -8.669 -6.526 304 HA VAL 67 HA VAL 67 1.082 -7.092 -6.264 305 HB VAL 67 HB VAL 67 1.168 -7.672 -4.068 306 1HG1 VAL 67 1HG1 VAL 67 1.570 -9.688 -5.664 307 2HG1 VAL 67 2HG1 VAL 67 3.190 -9.733 -4.929 308 3HG1 VAL 67 3HG1 VAL 67 1.745 -9.924 -3.909 309 1HG2 VAL 67 1HG2 VAL 67 3.334 -8.095 -2.817 310 2HG2 VAL 67 2HG2 VAL 67 4.185 -7.462 -4.247 311 3HG2 VAL 67 3HG2 VAL 67 3.059 -6.418 -3.347 312 H ILE 68 H ILE 68 4.620 -6.516 -5.886 313 HA ILE 68 HA ILE 68 4.380 -3.936 -4.838 314 HB ILE 68 HB ILE 68 6.601 -5.177 -6.465 315 2HG1 ILE 68 2HG1 ILE 68 5.831 -6.422 -4.385 316 1HG2 ILE 68 1HG2 ILE 68 6.604 -2.772 -4.621 317 2HG2 ILE 68 2HG2 ILE 68 8.046 -3.529 -5.339 318 3HG2 ILE 68 3HG2 ILE 68 6.828 -2.765 -6.387 319 1HD1 ILE 68 1HD1 ILE 68 8.287 -6.190 -5.459 320 2HD1 ILE 68 2HD1 ILE 68 8.615 -5.398 -3.900 321 3HD1 ILE 68 3HD1 ILE 68 8.013 -7.073 -3.938 322 H GLU 69 H GLU 69 4.754 -5.142 -8.232 323 HA GLU 69 HA GLU 69 4.868 -2.675 -9.418 324 2HB GLU 69 2HB GLU 69 3.502 -4.287 -11.254 325 2HG GLU 69 2HG GLU 69 6.435 -4.773 -10.921 326 H PHE 70 H PHE 70 2.036 -4.663 -8.421 327 HA PHE 70 HA PHE 70 0.059 -3.195 -9.669 328 2HB PHE 70 2HB PHE 70 -1.045 -4.031 -7.259 329 HD1 PHE 70 1HD PHE 70 -2.094 -4.024 -9.866 330 HD2 PHE 70 2HD PHE 70 0.046 -7.147 -7.949 331 HE1 PHE 70 1HE PHE 70 -3.199 -5.703 -11.369 332 HE2 PHE 70 2HE PHE 70 -1.060 -8.827 -9.452 333 HZ PHE 70 HZ PHE 70 -2.669 -8.085 -11.143 334 H ILE 71 H ILE 71 1.562 -2.764 -6.399 335 HA ILE 71 HA ILE 71 -0.088 -0.535 -5.780 336 HB ILE 71 HB ILE 71 2.470 -1.559 -4.545 337 2HG1 ILE 71 2HG1 ILE 71 -0.172 -2.616 -4.556 338 1HG2 ILE 71 1HG2 ILE 71 2.411 0.586 -3.730 339 2HG2 ILE 71 2HG2 ILE 71 0.637 0.695 -3.817 340 3HG2 ILE 71 3HG2 ILE 71 1.408 -0.258 -2.526 341 1HD1 ILE 71 1HD1 ILE 71 1.671 -3.551 -2.443 342 2HD1 ILE 71 2HD1 ILE 71 0.967 -4.443 -3.812 343 3HD1 ILE 71 3HD1 ILE 71 2.429 -3.456 -4.051 344 H PHE 72 H PHE 72 3.255 -0.999 -7.054 345 HA PHE 72 HA PHE 72 3.944 1.707 -7.013 346 2HB PHE 72 2HB PHE 72 4.923 -0.091 -9.223 347 HD1 PHE 72 1HD PHE 72 7.420 -0.725 -7.338 348 HD2 PHE 72 2HD PHE 72 5.414 2.809 -8.560 349 HE1 PHE 72 1HE PHE 72 9.533 0.588 -7.008 350 HE2 PHE 72 2HE PHE 72 7.527 4.123 -8.229 351 HZ PHE 72 HZ PHE 72 9.561 2.997 -7.457 352 H ASN 73 H ASN 73 2.549 -0.391 -9.624 353 HA ASN 73 HA ASN 73 2.562 1.591 -11.552 354 2HB ASN 73 2HB ASN 73 0.536 0.074 -12.441 355 1HD2 ASN 73 1HD2 ASN 73 3.398 -1.432 -10.968 356 2HD2 ASN 73 2HD2 ASN 73 4.259 -1.760 -12.434 357 H GLN 74 H GLN 74 0.195 0.575 -9.029 358 HA GLN 74 HA GLN 74 -1.856 2.260 -9.987 359 2HB GLN 74 2HB GLN 74 -2.706 1.764 -7.509 360 2HG GLN 74 2HG GLN 74 -3.841 0.695 -9.310 361 1HE2 GLN 74 1HE2 GLN 74 -2.374 -2.236 -9.306 362 2HE2 GLN 74 2HE2 GLN 74 -1.517 -2.194 -10.811 363 H LEU 75 H LEU 75 0.764 2.509 -7.550 364 HA LEU 75 HA LEU 75 -0.205 5.012 -6.550 365 2HB LEU 75 2HB LEU 75 2.098 4.967 -5.425 366 HG LEU 75 HG LEU 75 0.533 2.474 -4.790 367 1HD1 LEU 75 1HD1 LEU 75 2.184 2.500 -3.250 368 2HD1 LEU 75 2HD1 LEU 75 2.454 4.254 -3.401 369 3HD1 LEU 75 3HD1 LEU 75 1.094 3.642 -2.428 370 1HD2 LEU 75 1HD2 LEU 75 -1.263 3.935 -5.013 371 2HD2 LEU 75 2HD2 LEU 75 -0.853 4.048 -3.284 372 3HD2 LEU 75 3HD2 LEU 75 -0.338 5.330 -4.408 373 H GLU 76 H GLU 76 1.108 4.102 -9.473 374 HA GLU 76 HA GLU 76 2.916 6.309 -9.712 375 2HB GLU 76 2HB GLU 76 2.693 5.393 -12.252 376 2HG GLU 76 2HG GLU 76 4.191 3.371 -10.873 377 H VAL 77 H VAL 77 -0.436 5.941 -9.746 378 HA VAL 77 HA VAL 77 -0.815 7.999 -11.791 379 HB VAL 77 HB VAL 77 -3.057 7.320 -11.889 380 1HG1 VAL 77 1HG1 VAL 77 -2.294 4.561 -11.477 381 2HG1 VAL 77 2HG1 VAL 77 -2.583 5.442 -12.996 382 3HG1 VAL 77 3HG1 VAL 77 -0.968 5.462 -12.250 383 1HG2 VAL 77 1HG2 VAL 77 -3.126 5.261 -9.814 384 2HG2 VAL 77 2HG2 VAL 77 -2.852 6.890 -9.152 385 3HG2 VAL 77 3HG2 VAL 77 -4.278 6.571 -10.167 386 H LYS 78 H LYS 78 -3.181 9.168 -10.822 387 HA LYS 78 HA LYS 78 -2.116 10.550 -8.467 388 2HB LYS 78 2HB LYS 78 -3.390 12.473 -9.187 389 2HG LYS 78 2HG LYS 78 -1.150 11.611 -10.426 390 2HD LYS 78 2HD LYS 78 -2.406 10.319 -12.155 391 2HE LYS 78 2HE LYS 78 -3.830 12.936 -12.395 392 1HZ LYS 78 1HZ LYS 78 -4.187 11.783 -14.804 393 2HZ LYS 78 2HZ LYS 78 -3.321 13.139 -14.523 394 3HZ LYS 78 3HZ LYS 78 -2.568 11.692 -14.609 395 H ASN 79 H ASN 79 -4.566 8.388 -9.636 396 HA ASN 79 HA ASN 79 -5.841 8.613 -7.044 397 2HB ASN 79 2HB ASN 79 -7.873 7.933 -8.976 398 1HD2 ASN 79 1HD2 ASN 79 -6.686 11.131 -8.009 399 2HD2 ASN 79 2HD2 ASN 79 -7.936 11.502 -6.869 400 HA PRO 80 HA PRO 80 -4.941 4.324 -8.174 401 2HB PRO 80 2HB PRO 80 -3.017 4.124 -6.923 402 2HG PRO 80 2HG PRO 80 -2.634 5.867 -5.462 403 2HD PRO 80 2HD PRO 80 -3.833 7.535 -6.493 404 H ASP 81 H ASP 81 -5.948 2.276 -7.781 405 HA ASP 81 HA ASP 81 -8.498 2.786 -6.504 406 2HB ASP 81 2HB ASP 81 -7.524 0.574 -8.370 407 H SER 82 H SER 82 -7.808 2.485 -4.266 408 HA SER 82 HA SER 82 -6.146 0.626 -3.294 409 2HB SER 82 2HB SER 82 -7.043 2.271 -1.812 410 HG SER 82 HG SER 82 -9.089 2.846 -1.969 411 H LYS 83 H LYS 83 -9.489 0.186 -4.456 412 HA LYS 83 HA LYS 83 -10.019 -2.286 -3.301 413 2HB LYS 83 2HB LYS 83 -11.725 -2.493 -5.047 414 2HG LYS 83 2HG LYS 83 -12.793 -0.186 -4.732 415 2HD LYS 83 2HD LYS 83 -11.678 -1.746 -2.364 416 2HE LYS 83 2HE LYS 83 -13.719 0.529 -2.370 417 1HZ LYS 83 1HZ LYS 83 -13.615 -0.011 0.060 418 2HZ LYS 83 2HZ LYS 83 -14.454 -1.061 -0.865 419 3HZ LYS 83 3HZ LYS 83 -12.953 -1.446 -0.350 420 H MET 84 H MET 84 -8.347 -1.388 -6.371 421 HA MET 84 HA MET 84 -8.031 -4.050 -7.185 422 2HB MET 84 2HB MET 84 -5.944 -2.202 -8.143 423 2HG MET 84 2HG MET 84 -7.219 -2.530 -10.318 424 1HE MET 84 1HE MET 84 -8.427 -5.422 -8.711 425 2HE MET 84 2HE MET 84 -7.402 -6.749 -9.308 426 3HE MET 84 3HE MET 84 -7.043 -5.983 -7.742 427 H MET 85 H MET 85 -6.096 -1.801 -5.184 428 HA MET 85 HA MET 85 -3.728 -3.220 -5.239 429 2HB MET 85 2HB MET 85 -4.246 -1.989 -2.629 430 2HG MET 85 2HG MET 85 -2.044 -2.111 -3.939 431 1HE MET 85 1HE MET 85 -3.895 1.503 -5.743 432 2HE MET 85 2HE MET 85 -3.176 1.250 -4.134 433 3HE MET 85 3HE MET 85 -2.154 1.777 -5.494 434 H GLN 86 H GLN 86 -6.442 -3.307 -2.821 435 HA GLN 86 HA GLN 86 -5.259 -5.321 -1.301 436 2HB GLN 86 2HB GLN 86 -8.193 -5.286 -1.177 437 2HG GLN 86 2HG GLN 86 -6.912 -3.958 1.030 438 1HE2 GLN 86 1HE2 GLN 86 -9.218 -4.393 1.319 439 2HE2 GLN 86 2HE2 GLN 86 -9.724 -5.907 1.988 440 H ILE 87 H ILE 87 -7.374 -5.318 -4.172 441 HA ILE 87 HA ILE 87 -8.135 -8.025 -3.998 442 HB ILE 87 HB ILE 87 -8.192 -5.879 -6.068 443 2HG1 ILE 87 2HG1 ILE 87 -9.919 -6.397 -4.162 444 1HG2 ILE 87 1HG2 ILE 87 -7.425 -7.874 -7.292 445 2HG2 ILE 87 2HG2 ILE 87 -8.825 -8.781 -6.672 446 3HG2 ILE 87 3HG2 ILE 87 -9.075 -7.387 -7.751 447 1HD1 ILE 87 1HD1 ILE 87 -11.732 -6.075 -6.229 448 2HD1 ILE 87 2HD1 ILE 87 -10.806 -4.754 -5.477 449 3HD1 ILE 87 3HD1 ILE 87 -10.217 -5.513 -6.975 450 H ASN 88 H ASN 88 -5.386 -6.281 -5.535 451 HA ASN 88 HA ASN 88 -4.419 -8.592 -6.804 452 2HB ASN 88 2HB ASN 88 -2.353 -7.199 -7.158 453 1HD2 ASN 88 1HD2 ASN 88 -4.650 -7.901 -8.507 454 2HD2 ASN 88 2HD2 ASN 88 -5.236 -6.568 -9.444 455 H LEU 89 H LEU 89 -3.661 -6.767 -3.765 456 HA LEU 89 HA LEU 89 -1.449 -8.255 -2.985 457 2HB LEU 89 2HB LEU 89 -2.181 -7.438 -0.661 458 HG LEU 89 HG LEU 89 -2.020 -5.171 -2.639 459 1HD1 LEU 89 1HD1 LEU 89 -0.331 -5.051 -0.279 460 2HD1 LEU 89 2HD1 LEU 89 -1.564 -3.909 -0.867 461 3HD1 LEU 89 3HD1 LEU 89 -2.042 -5.295 0.144 462 1HD2 LEU 89 1HD2 LEU 89 0.573 -5.567 -2.195 463 2HD2 LEU 89 2HD2 LEU 89 0.033 -7.259 -2.077 464 3HD2 LEU 89 3HD2 LEU 89 -0.286 -6.323 -3.558 465 H THR 90 H THR 90 -4.976 -8.707 -2.331 466 HA THR 90 HA THR 90 -4.682 -10.915 -0.641 467 HB THR 90 HB THR 90 -6.953 -10.143 -2.549 468 HG1 THR 90 1HG THR 90 -6.493 -9.606 0.290 469 1HG2 THR 90 1HG2 THR 90 -8.095 -11.054 -0.225 470 2HG2 THR 90 2HG2 THR 90 -7.835 -12.092 -1.648 471 3HG2 THR 90 3HG2 THR 90 -6.666 -12.113 -0.306 472 H GLY 91 H GLY 91 -4.218 -10.583 -4.086 473 1HA GLY 91 1HA GLY 91 -4.744 -13.299 -4.777 474 2HA GLY 91 2HA GLY 91 -3.888 -12.100 -5.726 475 H PHE 92 H PHE 92 -2.013 -11.531 -3.353 476 HA PHE 92 HA PHE 92 -0.361 -13.927 -3.724 477 2HB PHE 92 2HB PHE 92 1.099 -11.619 -2.768 478 HD1 PHE 92 1HD PHE 92 3.224 -11.782 -3.640 479 HD2 PHE 92 2HD PHE 92 -0.045 -13.096 -6.004 480 HE1 PHE 92 1HE PHE 92 4.820 -12.568 -5.410 481 HE2 PHE 92 2HE PHE 92 1.551 -13.883 -7.775 482 HZ PHE 92 HZ PHE 92 3.965 -13.609 -7.457 483 H LEU 93 H LEU 93 -1.501 -11.405 -1.421 484 HA LEU 93 HA LEU 93 -0.062 -12.495 0.773 485 2HB LEU 93 2HB LEU 93 -1.274 -10.903 2.093 486 HG LEU 93 HG LEU 93 -1.074 -9.337 -0.447 487 1HD1 LEU 93 1HD1 LEU 93 0.254 -7.863 1.223 488 2HD1 LEU 93 2HD1 LEU 93 -1.516 -7.973 1.376 489 3HD1 LEU 93 3HD1 LEU 93 -0.468 -8.910 2.468 490 1HD2 LEU 93 1HD2 LEU 93 0.813 -10.550 -0.925 491 2HD2 LEU 93 2HD2 LEU 93 1.494 -9.281 0.121 492 3HD2 LEU 93 3HD2 LEU 93 1.164 -10.898 0.785 493 H ASN 94 H ASN 94 -2.059 -12.596 2.806 494 HA ASN 94 HA ASN 94 -3.139 -15.180 2.131 495 2HB ASN 94 2HB ASN 94 -3.750 -15.115 4.670 496 1HD2 ASN 94 1HD2 ASN 94 -0.609 -13.622 4.147 497 2HD2 ASN 94 2HD2 ASN 94 0.364 -15.042 4.327 498 H GLY 95 H GLY 95 -4.037 -11.844 2.302 499 1HA GLY 95 1HA GLY 95 -6.194 -11.253 1.423 500 2HA GLY 95 2HA GLY 95 -6.902 -12.572 2.334 501 H LYS 96 H LYS 96 -5.601 -12.277 4.852 502 HA LYS 96 HA LYS 96 -7.118 -10.090 5.882 503 2HB LYS 96 2HB LYS 96 -5.924 -10.921 8.053 504 2HG LYS 96 2HG LYS 96 -7.748 -12.798 6.477 505 2HD LYS 96 2HD LYS 96 -7.601 -12.299 9.482 506 2HE LYS 96 2HE LYS 96 -9.041 -14.264 7.667 507 1HZ LYS 96 1HZ LYS 96 -8.604 -15.815 9.155 508 2HZ LYS 96 2HZ LYS 96 -7.870 -14.783 10.186 509 3HZ LYS 96 3HZ LYS 96 -9.491 -14.976 10.239 510 H ASN 97 H ASN 97 -3.657 -10.826 5.256 511 HA ASN 97 HA ASN 97 -2.672 -8.604 6.596 512 2HB ASN 97 2HB ASN 97 -0.949 -9.173 4.378 513 1HD2 ASN 97 1HD2 ASN 97 -0.318 -7.795 6.363 514 2HD2 ASN 97 2HD2 ASN 97 0.593 -8.602 7.595 515 H ALA 98 H ALA 98 -4.080 -9.161 3.370 516 HA ALA 98 HA ALA 98 -3.087 -6.870 2.091 517 1HB ALA 98 1HB ALA 98 -4.162 -8.944 1.070 518 2HB ALA 98 2HB ALA 98 -5.732 -8.271 1.569 519 3HB ALA 98 3HB ALA 98 -4.713 -7.385 0.409 520 H ARG 99 H ARG 99 -6.000 -7.523 4.111 521 HA ARG 99 HA ARG 99 -7.147 -5.031 3.646 522 2HB ARG 99 2HB ARG 99 -8.536 -5.583 5.674 523 2HG ARG 99 2HG ARG 99 -8.194 -8.213 4.243 524 2HD ARG 99 2HD ARG 99 -10.776 -7.480 3.905 525 HE ARG 99 HE ARG 99 -10.514 -9.426 5.230 526 1HH1 ARG 99 2HH2 ARG 99 -9.538 -6.562 7.027 527 2HH1 ARG 99 1HH2 ARG 99 -9.473 -7.384 8.550 528 1HH2 ARG 99 2HH1 ARG 99 -10.428 -10.510 7.240 529 2HH2 ARG 99 1HH1 ARG 99 -9.982 -9.644 8.672 530 H GLU 100 H GLU 100 -4.882 -6.319 6.136 531 HA GLU 100 HA GLU 100 -4.967 -3.974 7.697 532 2HB GLU 100 2HB GLU 100 -2.565 -5.274 8.309 533 2HG GLU 100 2HG GLU 100 -3.868 -6.287 10.166 534 H PHE 101 H PHE 101 -2.909 -5.220 5.036 535 HA PHE 101 HA PHE 101 -0.846 -3.369 5.271 536 2HB PHE 101 2HB PHE 101 -2.160 -4.922 2.972 537 HD1 PHE 101 1HD PHE 101 -2.045 -3.068 1.327 538 HD2 PHE 101 2HD PHE 101 1.431 -4.542 3.265 539 HE1 PHE 101 1HE PHE 101 -0.609 -1.970 -0.414 540 HE2 PHE 101 2HE PHE 101 2.867 -3.444 1.524 541 HZ PHE 101 HZ PHE 101 1.830 -2.170 -0.295 542 H MET 102 H MET 102 -3.873 -3.308 3.267 543 HA MET 102 HA MET 102 -3.282 -0.819 2.143 544 2HB MET 102 2HB MET 102 -5.983 -0.978 1.879 545 2HG MET 102 2HG MET 102 -4.823 -3.232 0.395 546 1HE MET 102 1HE MET 102 -5.641 0.999 -0.784 547 2HE MET 102 2HE MET 102 -4.135 0.215 -0.246 548 3HE MET 102 3HE MET 102 -4.588 0.187 -1.967 549 H GLY 103 H GLY 103 -4.871 -1.849 5.157 550 1HA GLY 103 1HA GLY 103 -6.034 0.732 5.702 551 2HA GLY 103 2HA GLY 103 -5.975 -0.666 6.757 552 H GLU 104 H GLU 104 -2.896 0.078 5.348 553 HA GLU 104 HA GLU 104 -2.199 1.641 7.705 554 2HB GLU 104 2HB GLU 104 0.087 0.348 7.497 555 2HG GLU 104 2HG GLU 104 -1.712 -1.680 8.521 556 H LEU 105 H LEU 105 -1.792 0.865 4.270 557 HA LEU 105 HA LEU 105 0.197 2.980 3.998 558 2HB LEU 105 2HB LEU 105 -0.307 0.482 2.709 559 HG LEU 105 HG LEU 105 0.218 1.195 0.378 560 1HD1 LEU 105 1HD1 LEU 105 -2.456 2.322 0.625 561 2HD1 LEU 105 2HD1 LEU 105 -1.913 0.809 -0.138 562 3HD1 LEU 105 3HD1 LEU 105 -2.248 0.853 1.609 563 1HD2 LEU 105 1HD2 LEU 105 0.514 3.711 1.445 564 2HD2 LEU 105 2HD2 LEU 105 0.374 3.322 -0.287 565 3HD2 LEU 105 3HD2 LEU 105 -1.067 3.818 0.634 566 H TRP 106 H TRP 106 -3.156 2.058 3.132 567 HA TRP 106 HA TRP 106 -3.651 4.138 1.348 568 2HB TRP 106 2HB TRP 106 -5.711 2.977 3.208 569 HD1 TRP 106 HD TRP 106 -7.861 4.288 2.514 570 HE1 TRP 106 1HE TRP 106 -9.030 5.145 0.308 571 HE3 TRP 106 3HE TRP 106 -4.132 2.873 -0.640 572 HZ2 TRP 106 2HZ TRP 106 -8.281 5.135 -2.445 573 HZ3 TRP 106 3HZ TRP 106 -4.430 3.333 -3.072 574 HH2 TRP 106 HH TRP 106 -6.416 4.423 -3.987 575 HA PRO 107 HA PRO 107 -4.807 6.495 5.318 576 2HB PRO 107 2HB PRO 107 -5.490 5.240 7.123 577 2HG PRO 107 2HG PRO 107 -4.835 3.029 7.063 578 2HD PRO 107 2HD PRO 107 -4.554 2.749 4.798 579 H LEU 108 H LEU 108 -1.700 5.021 5.031 580 HA LEU 108 HA LEU 108 -0.222 6.971 6.351 581 2HB LEU 108 2HB LEU 108 1.125 5.859 4.039 582 HG LEU 108 HG LEU 108 1.758 6.343 6.716 583 1HD1 LEU 108 1HD1 LEU 108 2.588 4.136 7.512 584 2HD1 LEU 108 2HD1 LEU 108 0.813 4.259 7.452 585 3HD1 LEU 108 3HD1 LEU 108 1.686 3.361 6.187 586 1HD2 LEU 108 1HD2 LEU 108 3.075 6.088 4.359 587 2HD2 LEU 108 2HD2 LEU 108 3.869 6.223 5.947 588 3HD2 LEU 108 3HD2 LEU 108 3.627 4.623 5.206 589 H LEU 109 H LEU 109 -1.427 6.762 2.960 590 HA LEU 109 HA LEU 109 -0.117 9.161 2.180 591 2HB LEU 109 2HB LEU 109 -1.239 8.887 0.118 592 HG LEU 109 HG LEU 109 -0.483 6.251 1.349 593 1HD1 LEU 109 1HD1 LEU 109 -2.158 5.433 -0.028 594 2HD1 LEU 109 2HD1 LEU 109 -1.897 6.683 -1.268 595 3HD1 LEU 109 3HD1 LEU 109 -0.721 5.360 -1.076 596 1HD2 LEU 109 1HD2 LEU 109 1.446 7.364 0.785 597 2HD2 LEU 109 2HD2 LEU 109 1.134 6.453 -0.711 598 3HD2 LEU 109 3HD2 LEU 109 0.704 8.176 -0.614 599 H LEU 110 H LEU 110 -3.245 8.294 3.643 600 HA LEU 110 HA LEU 110 -4.666 10.584 3.082 601 2HB LEU 110 2HB LEU 110 -5.581 9.972 5.527 602 HG LEU 110 HG LEU 110 -7.201 9.544 3.994 603 1HD1 LEU 110 1HD1 LEU 110 -5.010 8.346 2.330 604 2HD1 LEU 110 2HD1 LEU 110 -6.713 7.994 1.952 605 3HD1 LEU 110 3HD1 LEU 110 -6.132 9.677 1.955 606 1HD2 LEU 110 1HD2 LEU 110 -6.575 7.400 5.523 607 2HD2 LEU 110 2HD2 LEU 110 -7.994 7.487 4.453 608 3HD2 LEU 110 3HD2 LEU 110 -6.512 6.669 3.902 609 H SER 111 H SER 111 -2.273 9.924 5.704 610 HA SER 111 HA SER 111 -2.618 12.540 6.756 611 2HB SER 111 2HB SER 111 -0.141 11.185 7.550 612 HG SER 111 HG SER 111 -2.505 12.223 8.743 613 H ALA 112 H ALA 112 -0.466 10.869 4.460 614 HA ALA 112 HA ALA 112 1.594 12.778 4.434 615 1HB ALA 112 1HB ALA 112 2.328 11.614 2.464 616 2HB ALA 112 2HB ALA 112 1.630 10.394 3.557 617 3HB ALA 112 3HB ALA 112 0.695 10.974 2.158 618 H GLN 113 H GLN 113 -1.411 12.351 2.458 619 HA GLN 113 HA GLN 113 -0.901 14.471 0.760 620 2HB GLN 113 2HB GLN 113 -2.599 12.731 0.319 621 2HG GLN 113 2HG GLN 113 -3.953 14.021 2.717 622 1HE2 GLN 113 1HE2 GLN 113 -4.578 11.386 0.409 623 2HE2 GLN 113 2HE2 GLN 113 -6.239 11.760 0.088 624 H GLU 114 H GLU 114 -1.649 14.428 4.124 625 HA GLU 114 HA GLU 114 -2.906 17.017 4.048 626 2HB GLU 114 2HB GLU 114 -2.969 16.687 6.578 627 2HG GLU 114 2HG GLU 114 -4.237 14.208 5.851 628 H ASN 115 H ASN 115 0.239 15.759 3.972 629 HA ASN 115 HA ASN 115 1.381 17.762 5.667 630 2HB ASN 115 2HB ASN 115 3.313 16.437 3.926 631 1HD2 ASN 115 1HD2 ASN 115 1.750 15.358 6.923 632 2HD2 ASN 115 2HD2 ASN 115 3.056 15.714 8.001 633 H ILE 116 H ILE 116 3.760 18.320 4.070 634 HA ILE 116 HA ILE 116 2.550 19.895 1.905 635 HB ILE 116 HB ILE 116 3.586 21.016 3.989 636 2HG1 ILE 116 2HG1 ILE 116 3.922 22.930 2.754 637 1HG2 ILE 116 1HG2 ILE 116 5.635 19.814 4.187 638 2HG2 ILE 116 2HG2 ILE 116 6.075 20.159 2.497 639 3HG2 ILE 116 3HG2 ILE 116 6.037 21.475 3.693 640 1HD1 ILE 116 1HD1 ILE 116 5.990 22.186 1.593 641 2HD1 ILE 116 2HD1 ILE 116 5.009 21.194 0.488 642 3HD1 ILE 116 3HD1 ILE 116 4.862 22.968 0.459 643 H ALA 117 H ALA 117 5.364 17.899 2.953 644 HA ALA 117 HA ALA 117 6.391 17.877 0.252 645 1HB ALA 117 1HB ALA 117 8.329 17.311 1.266 646 2HB ALA 117 2HB ALA 117 7.497 17.681 2.796 647 3HB ALA 117 3HB ALA 117 7.556 16.006 2.197 648 H GLY 118 H GLY 118 3.792 16.457 1.719 649 1HA GLY 118 1HA GLY 118 2.485 14.726 1.103 650 2HA GLY 118 2HA GLY 118 3.551 14.434 -0.257 651 H ILE 119 H ILE 119 4.427 14.472 3.248 652 HA ILE 119 HA ILE 119 5.019 11.605 2.992 653 HB ILE 119 HB ILE 119 6.703 13.871 3.837 654 2HG1 ILE 119 2HG1 ILE 119 7.096 11.151 2.592 655 1HG2 ILE 119 1HG2 ILE 119 7.953 12.610 5.495 656 2HG2 ILE 119 2HG2 ILE 119 6.261 12.808 6.013 657 3HG2 ILE 119 3HG2 ILE 119 6.813 11.249 5.355 658 1HD1 ILE 119 1HD1 ILE 119 8.403 13.472 1.396 659 2HD1 ILE 119 2HD1 ILE 119 7.227 12.348 0.672 660 3HD1 ILE 119 3HD1 ILE 119 6.658 13.760 1.594 661 HA PRO 120 HA PRO 120 2.430 11.257 6.437 662 2HB PRO 120 2HB PRO 120 1.889 9.087 5.889 663 2HG PRO 120 2HG PRO 120 3.396 8.043 4.488 664 2HD PRO 120 2HD PRO 120 4.342 9.875 3.471 665 H SER 121 H SER 121 2.285 11.273 8.727 666 HA SER 121 HA SER 121 4.542 12.416 9.841 667 2HB SER 121 2HB SER 121 2.198 12.738 10.652 668 HG SER 121 HG SER 121 1.744 10.908 12.381 669 H ALA 122 H ALA 122 3.740 9.113 9.189 670 HA ALA 122 HA ALA 122 4.941 7.814 11.341 671 1HB ALA 122 1HB ALA 122 5.195 5.954 9.581 672 2HB ALA 122 2HB ALA 122 3.550 6.569 9.870 673 3HB ALA 122 3HB ALA 122 4.458 7.097 8.433 674 H PHE 123 H PHE 123 6.265 9.513 8.525 675 HA PHE 123 HA PHE 123 8.915 8.451 9.124 676 2HB PHE 123 2HB PHE 123 9.442 9.560 6.932 677 HD1 PHE 123 1HD PHE 123 7.910 6.938 8.122 678 HD2 PHE 123 2HD PHE 123 7.603 9.355 4.648 679 HE1 PHE 123 1HE PHE 123 6.941 4.998 6.858 680 HE2 PHE 123 2HE PHE 123 6.635 7.415 3.384 681 HZ PHE 123 HZ PHE 123 6.315 5.260 4.504 682 H LEU 124 H LEU 124 6.969 11.466 9.089 683 HA LEU 124 HA LEU 124 9.013 13.288 9.440 684 2HB LEU 124 2HB LEU 124 7.297 14.747 10.363 685 HG LEU 124 HG LEU 124 6.220 13.029 8.111 686 1HD1 LEU 124 1HD1 LEU 124 5.178 15.679 8.042 687 2HD1 LEU 124 2HD1 LEU 124 4.305 14.138 8.221 688 3HD1 LEU 124 3HD1 LEU 124 4.881 15.008 9.664 689 1HD2 LEU 124 1HD2 LEU 124 8.405 14.763 8.154 690 2HD2 LEU 124 2HD2 LEU 124 7.554 14.137 6.721 691 3HD2 LEU 124 3HD2 LEU 124 7.090 15.708 7.415 692 H GLU 125 H GLU 125 6.878 12.000 12.089 693 HA GLU 125 HA GLU 125 8.382 12.928 14.138 694 2HB GLU 125 2HB GLU 125 6.832 10.301 14.071 695 2HG GLU 125 2HG GLU 125 7.332 12.214 16.396 696 H LEU 126 H LEU 126 8.532 9.579 12.715 697 HA LEU 126 HA LEU 126 10.715 8.758 14.235 698 2HB LEU 126 2HB LEU 126 10.951 7.190 12.113 699 HG LEU 126 HG LEU 126 8.656 7.142 14.078 700 1HD1 LEU 126 1HD1 LEU 126 7.637 5.897 12.462 701 2HD1 LEU 126 2HD1 LEU 126 9.172 5.387 11.719 702 3HD1 LEU 126 3HD1 LEU 126 8.619 4.628 13.232 703 1HD2 LEU 126 1HD2 LEU 126 10.093 5.004 14.709 704 2HD2 LEU 126 2HD2 LEU 126 11.389 5.952 13.941 705 3HD2 LEU 126 3HD2 LEU 126 10.494 6.625 15.324 706 H LYS 127 H LYS 127 12.730 7.868 12.582 707 HA LYS 127 HA LYS 127 13.988 10.400 11.915 708 2HB LYS 127 2HB LYS 127 15.064 8.704 13.436 709 2HG LYS 127 2HG LYS 127 15.360 7.207 10.789 710 2HD LYS 127 2HD LYS 127 16.457 6.413 13.518 711 2HE LYS 127 2HE LYS 127 16.311 5.196 10.849 712 1HZ LYS 127 1HZ LYS 127 18.573 6.138 10.816 713 2HZ LYS 127 2HZ LYS 127 18.944 5.266 12.147 714 3HZ LYS 127 3HZ LYS 127 18.551 4.506 10.755 715 H LYS 128 H LYS 128 15.721 9.936 9.939 716 HA LYS 128 HA LYS 128 15.925 9.805 7.745 717 2HB LYS 128 2HB LYS 128 13.933 7.648 7.353 718 2HG LYS 128 2HG LYS 128 16.691 8.428 6.511 719 2HD LYS 128 2HD LYS 128 16.336 5.867 7.670 720 2HE LYS 128 2HE LYS 128 16.978 4.702 5.274 721 1HZ LYS 128 1HZ LYS 128 15.397 3.547 6.297 722 2HZ LYS 128 2HZ LYS 128 14.635 4.857 6.902 723 3HZ LYS 128 3HZ LYS 128 14.337 4.375 5.371 724 H GLU 129 H GLU 129 15.216 11.399 6.442 725 HA GLU 129 HA GLU 129 12.350 11.542 6.012 726 2HB GLU 129 2HB GLU 129 13.938 14.093 6.382 727 2HG GLU 129 2HG GLU 129 11.008 13.311 6.756 728 H GLU 130 H GLU 130 11.788 11.956 3.874 729 HA GLU 130 HA GLU 130 14.061 12.464 2.120 730 2HB GLU 130 2HB GLU 130 11.613 11.389 0.859 731 2HG GLU 130 2HG GLU 130 14.399 11.428 0.395 732 H ILE 131 H ILE 131 13.766 14.809 2.551 733 HA ILE 131 HA ILE 131 11.337 16.093 1.964 734 HB ILE 131 HB ILE 131 14.188 17.064 2.130 735 2HG1 ILE 131 2HG1 ILE 131 13.464 17.951 4.310 736 1HG2 ILE 131 1HG2 ILE 131 13.079 19.342 2.394 737 2HG2 ILE 131 2HG2 ILE 131 13.153 18.664 0.750 738 3HG2 ILE 131 3HG2 ILE 131 11.630 18.602 1.672 739 1HD1 ILE 131 1HD1 ILE 131 10.976 18.028 3.645 740 2HD1 ILE 131 2HD1 ILE 131 10.950 16.273 3.943 741 3HD1 ILE 131 3HD1 ILE 131 11.338 17.397 5.269 742 H LYS 132 H LYS 132 10.573 17.118 0.096 743 HA LYS 132 HA LYS 132 11.537 15.976 -2.337 744 2HB LYS 132 2HB LYS 132 9.369 18.019 -1.770 745 2HG LYS 132 2HG LYS 132 10.292 16.603 -4.291 746 2HD LYS 132 2HD LYS 132 7.481 17.434 -3.504 747 2HE LYS 132 2HE LYS 132 8.270 16.969 -6.390 748 1HZ LYS 132 1HZ LYS 132 5.947 17.058 -5.549 749 2HZ LYS 132 2HZ LYS 132 6.173 18.638 -5.201 750 3HZ LYS 132 3HZ LYS 132 6.280 18.119 -6.746 751 H GLN 133 H GLN 133 12.226 17.241 -4.238 752 HA GLN 133 HA GLN 133 13.476 19.747 -3.441 753 2HB GLN 133 2HB GLN 133 15.332 18.963 -5.167 754 2HG GLN 133 2HG GLN 133 15.529 17.370 -2.647 755 1HE2 GLN 133 1HE2 GLN 133 17.388 18.742 -1.385 756 2HE2 GLN 133 2HE2 GLN 133 18.793 19.036 -2.355 757 H ARG 134 H ARG 134 12.934 21.430 -4.772 758 HA ARG 134 HA ARG 134 12.738 21.114 -7.528 759 2HB ARG 134 2HB ARG 134 10.569 20.022 -6.984 760 2HG ARG 134 2HG ARG 134 10.266 22.492 -5.302 761 2HD ARG 134 2HD ARG 134 7.894 21.068 -6.601 762 HE ARG 134 HE ARG 134 8.006 22.527 -4.201 763 1HH1 ARG 134 2HH2 ARG 134 6.309 22.791 -7.271 764 2HH1 ARG 134 1HH2 ARG 134 4.933 23.592 -6.588 765 1HH2 ARG 134 2HH1 ARG 134 6.192 23.583 -3.298 766 2HH2 ARG 134 1HH1 ARG 134 4.866 24.045 -4.312 Start of MODEL 20 1 1H SER 24 H SER 24 -8.250 -15.409 -13.570 2 HA SER 24 HA SER 24 -6.031 -15.154 -12.714 3 2HB SER 24 2HB SER 24 -6.253 -12.659 -12.009 4 HG SER 24 HG SER 24 -7.623 -12.505 -14.304 5 H HIS 25 H HIS 25 -5.129 -13.498 -10.688 6 HA HIS 25 HA HIS 25 -5.850 -15.067 -8.339 7 2HB HIS 25 2HB HIS 25 -3.585 -15.293 -8.557 8 HD1 HIS 25 1HD HIS 25 -3.588 -14.411 -11.302 9 HD2 HIS 25 2HD HIS 25 -1.992 -11.932 -8.319 10 HE1 HIS 25 1HE HIS 25 -2.037 -12.771 -12.490 11 H MET 26 H MET 26 -7.752 -13.157 -9.149 12 HA MET 26 HA MET 26 -7.370 -11.176 -7.043 13 2HB MET 26 2HB MET 26 -9.073 -9.882 -8.745 14 2HG MET 26 2HG MET 26 -6.730 -9.172 -7.918 15 1HE MET 26 1HE MET 26 -3.681 -9.433 -8.446 16 2HE MET 26 2HE MET 26 -4.968 -10.033 -7.373 17 3HE MET 26 3HE MET 26 -3.897 -11.183 -8.210 18 H GLN 27 H GLN 27 -9.922 -10.005 -7.076 19 HA GLN 27 HA GLN 27 -12.067 -10.326 -6.693 20 2HB GLN 27 2HB GLN 27 -13.232 -12.386 -7.104 21 2HG GLN 27 2HG GLN 27 -12.637 -12.830 -9.334 22 1HE2 GLN 27 1HE2 GLN 27 -10.221 -11.240 -10.349 23 2HE2 GLN 27 2HE2 GLN 27 -10.768 -9.599 -10.420 24 H LEU 28 H LEU 28 -12.418 -9.766 -4.589 25 HA LEU 28 HA LEU 28 -12.570 -11.671 -2.572 26 2HB LEU 28 2HB LEU 28 -10.256 -11.918 -2.504 27 HG LEU 28 HG LEU 28 -8.689 -9.985 -2.113 28 1HD1 LEU 28 1HD1 LEU 28 -8.125 -9.855 -4.334 29 2HD1 LEU 28 2HD1 LEU 28 -9.175 -11.292 -4.340 30 3HD1 LEU 28 3HD1 LEU 28 -9.816 -9.721 -4.875 31 1HD2 LEU 28 1HD2 LEU 28 -10.755 -8.241 -3.441 32 2HD2 LEU 28 2HD2 LEU 28 -10.660 -8.382 -1.670 33 3HD2 LEU 28 3HD2 LEU 28 -9.262 -7.778 -2.591 34 H LYS 29 H LYS 29 -12.087 -10.043 -0.305 35 HA LYS 29 HA LYS 29 -14.058 -7.938 -0.827 36 2HB LYS 29 2HB LYS 29 -14.088 -8.162 1.846 37 2HG LYS 29 2HG LYS 29 -15.457 -10.127 -0.051 38 2HD LYS 29 2HD LYS 29 -17.333 -9.790 1.700 39 2HE LYS 29 2HE LYS 29 -15.701 -11.212 3.439 40 1HZ LYS 29 1HZ LYS 29 -16.950 -12.860 2.674 41 2HZ LYS 29 2HZ LYS 29 -17.688 -11.745 1.737 42 3HZ LYS 29 3HZ LYS 29 -16.491 -12.668 1.119 43 H PHE 30 H PHE 30 -13.737 -5.817 0.063 44 HA PHE 30 HA PHE 30 -10.929 -5.310 0.762 45 2HB PHE 30 2HB PHE 30 -11.030 -4.082 -1.211 46 HD1 PHE 30 1HD PHE 30 -11.950 -5.277 -3.015 47 HD2 PHE 30 2HD PHE 30 -14.529 -3.213 -0.352 48 HE1 PHE 30 1HE PHE 30 -13.880 -5.684 -4.569 49 HE2 PHE 30 2HE PHE 30 -16.459 -3.620 -1.905 50 HZ PHE 30 HZ PHE 30 -16.111 -4.850 -3.996 51 H ALA 31 H ALA 31 -10.549 -3.480 2.215 52 HA ALA 31 HA ALA 31 -12.417 -3.410 4.321 53 1HB ALA 31 1HB ALA 31 -10.230 -1.367 3.915 54 2HB ALA 31 2HB ALA 31 -10.793 -2.131 5.421 55 3HB ALA 31 3HB ALA 31 -9.820 -3.064 4.259 56 H GLU 32 H GLU 32 -12.771 -0.875 5.201 57 HA GLU 32 HA GLU 32 -14.405 0.230 3.068 58 2HB GLU 32 2HB GLU 32 -15.524 1.469 5.014 59 2HG GLU 32 2HG GLU 32 -15.669 -1.471 5.620 60 H CYS 33 H CYS 33 -11.706 0.881 5.281 61 HA CYS 33 HA CYS 33 -11.673 3.652 5.075 62 2HB CYS 33 2HB CYS 33 -9.461 1.646 5.597 63 HG CYS 33 HG CYS 33 -9.308 4.724 6.598 64 H LEU 34 H LEU 34 -11.085 1.120 2.772 65 HA LEU 34 HA LEU 34 -9.148 2.390 1.177 66 2HB LEU 34 2HB LEU 34 -9.618 0.718 -0.419 67 HG LEU 34 HG LEU 34 -10.509 -0.903 1.909 68 1HD1 LEU 34 1HD1 LEU 34 -9.146 -1.294 -0.562 69 2HD1 LEU 34 2HD1 LEU 34 -8.041 -1.746 0.760 70 3HD1 LEU 34 3HD1 LEU 34 -9.648 -2.505 0.644 71 1HD2 LEU 34 1HD2 LEU 34 -8.059 0.827 1.950 72 2HD2 LEU 34 2HD2 LEU 34 -9.202 0.433 3.256 73 3HD2 LEU 34 3HD2 LEU 34 -8.023 -0.783 2.710 74 H GLU 35 H GLU 35 -12.376 3.219 1.910 75 HA GLU 35 HA GLU 35 -12.786 4.448 -0.674 76 2HB GLU 35 2HB GLU 35 -15.064 4.787 0.011 77 2HG GLU 35 2HG GLU 35 -14.737 2.272 1.551 78 H LYS 36 H LYS 36 -10.762 5.254 1.571 79 HA LYS 36 HA LYS 36 -11.758 7.866 2.301 80 2HB LYS 36 2HB LYS 36 -9.346 7.952 3.304 81 2HG LYS 36 2HG LYS 36 -10.469 5.895 4.897 82 2HD LYS 36 2HD LYS 36 -11.528 8.628 5.357 83 2HE LYS 36 2HE LYS 36 -9.680 6.738 6.892 84 1HZ LYS 36 1HZ LYS 36 -10.752 8.459 8.614 85 2HZ LYS 36 2HZ LYS 36 -9.245 8.596 8.002 86 3HZ LYS 36 3HZ LYS 36 -10.474 9.445 7.343 87 H LYS 37 H LYS 37 -10.341 6.429 -0.424 88 HA LYS 37 HA LYS 37 -9.289 7.201 -2.208 89 2HB LYS 37 2HB LYS 37 -9.853 9.597 -2.854 90 2HG LYS 37 2HG LYS 37 -11.428 7.251 -2.785 91 2HD LYS 37 2HD LYS 37 -12.669 9.336 -1.179 92 2HE LYS 37 2HE LYS 37 -13.658 9.067 -3.948 93 1HZ LYS 37 1HZ LYS 37 -15.205 7.594 -2.937 94 2HZ LYS 37 2HZ LYS 37 -15.480 8.612 -1.690 95 3HZ LYS 37 3HZ LYS 37 -15.966 9.017 -3.196 96 H VAL 38 H VAL 38 -7.668 9.034 -3.044 97 HA VAL 38 HA VAL 38 -6.086 10.155 -0.918 98 HB VAL 38 HB VAL 38 -4.059 8.970 -1.468 99 1HG1 VAL 38 1HG1 VAL 38 -5.579 8.055 0.281 100 2HG1 VAL 38 2HG1 VAL 38 -6.283 6.971 -0.943 101 3HG1 VAL 38 3HG1 VAL 38 -4.567 6.812 -0.494 102 1HG2 VAL 38 1HG2 VAL 38 -4.456 6.780 -2.906 103 2HG2 VAL 38 2HG2 VAL 38 -5.753 7.764 -3.624 104 3HG2 VAL 38 3HG2 VAL 38 -4.069 8.336 -3.678 105 H ASP 39 H ASP 39 -3.728 10.525 -2.566 106 HA ASP 39 HA ASP 39 -4.460 11.482 -5.081 107 2HB ASP 39 2HB ASP 39 -3.672 13.806 -3.367 108 H MET 40 H MET 40 -2.480 10.423 -5.684 109 HA MET 40 HA MET 40 -0.125 10.648 -4.257 110 2HB MET 40 2HB MET 40 0.904 9.772 -6.394 111 2HG MET 40 2HG MET 40 -0.805 7.846 -6.760 112 1HE MET 40 1HE MET 40 -1.372 9.093 -3.458 113 2HE MET 40 2HE MET 40 -0.712 7.805 -2.422 114 3HE MET 40 3HE MET 40 0.257 9.259 -2.762 115 H SER 41 H SER 41 -1.704 12.846 -6.502 116 HA SER 41 HA SER 41 0.642 14.210 -7.259 117 2HB SER 41 2HB SER 41 -2.319 14.891 -7.391 118 HG SER 41 HG SER 41 -0.056 16.509 -7.903 119 H LYS 42 H LYS 42 -0.977 13.946 -4.306 120 HA LYS 42 HA LYS 42 -0.076 16.622 -3.491 121 2HB LYS 42 2HB LYS 42 -1.872 16.807 -2.016 122 2HG LYS 42 2HG LYS 42 -3.925 16.099 -3.355 123 2HD LYS 42 2HD LYS 42 -1.776 17.353 -5.115 124 2HE LYS 42 2HE LYS 42 -4.714 17.130 -5.165 125 1HZ LYS 42 1HZ LYS 42 -5.171 19.240 -4.810 126 2HZ LYS 42 2HZ LYS 42 -3.601 19.645 -4.613 127 3HZ LYS 42 3HZ LYS 42 -4.267 19.657 -6.104 128 H VAL 43 H VAL 43 -0.223 13.114 -2.796 129 HA VAL 43 HA VAL 43 1.746 13.569 -0.665 130 HB VAL 43 HB VAL 43 0.207 12.443 0.498 131 1HG1 VAL 43 1HG1 VAL 43 -1.611 11.101 -0.444 132 2HG1 VAL 43 2HG1 VAL 43 -1.490 12.671 -1.274 133 3HG1 VAL 43 3HG1 VAL 43 -0.867 11.199 -2.059 134 1HG2 VAL 43 1HG2 VAL 43 1.346 10.152 -1.139 135 2HG2 VAL 43 2HG2 VAL 43 1.991 10.811 0.384 136 3HG2 VAL 43 3HG2 VAL 43 0.425 9.964 0.374 137 H ASN 44 H ASN 44 3.608 12.149 -0.584 138 HA ASN 44 HA ASN 44 4.409 11.426 -3.241 139 2HB ASN 44 2HB ASN 44 6.503 10.713 -1.536 140 1HD2 ASN 44 1HD2 ASN 44 8.163 12.535 -1.360 141 2HD2 ASN 44 2HD2 ASN 44 8.273 13.624 -2.703 142 H LEU 45 H LEU 45 4.404 9.281 -3.970 143 HA LEU 45 HA LEU 45 3.633 7.245 -2.047 144 2HB LEU 45 2HB LEU 45 2.813 7.805 -4.585 145 HG LEU 45 HG LEU 45 3.382 6.015 -6.049 146 1HD1 LEU 45 1HD1 LEU 45 6.175 6.572 -5.503 147 2HD1 LEU 45 2HD1 LEU 45 5.150 7.084 -6.865 148 3HD1 LEU 45 3HD1 LEU 45 5.178 8.040 -5.364 149 1HD2 LEU 45 1HD2 LEU 45 4.133 4.648 -3.729 150 2HD2 LEU 45 2HD2 LEU 45 4.202 4.053 -5.406 151 3HD2 LEU 45 3HD2 LEU 45 5.633 4.818 -4.672 152 H GLU 46 H GLU 46 6.415 8.439 -3.834 153 HA GLU 46 HA GLU 46 7.886 6.121 -3.968 154 2HB GLU 46 2HB GLU 46 9.672 8.296 -3.440 155 2HG GLU 46 2HG GLU 46 9.656 8.249 -6.093 156 H VAL 47 H VAL 47 7.369 8.446 -1.287 157 HA VAL 47 HA VAL 47 9.383 7.368 0.379 158 HB VAL 47 HB VAL 47 8.165 8.649 2.139 159 1HG1 VAL 47 1HG1 VAL 47 8.938 10.724 1.399 160 2HG1 VAL 47 2HG1 VAL 47 9.897 9.572 0.440 161 3HG1 VAL 47 3HG1 VAL 47 8.502 10.396 -0.296 162 1HG2 VAL 47 1HG2 VAL 47 6.010 8.449 0.293 163 2HG2 VAL 47 2HG2 VAL 47 6.031 9.239 1.888 164 3HG2 VAL 47 3HG2 VAL 47 6.437 10.172 0.428 165 H ILE 48 H ILE 48 6.495 6.056 -0.799 166 HA ILE 48 HA ILE 48 6.150 4.426 1.616 167 HB ILE 48 HB ILE 48 4.154 4.359 -0.571 168 2HG1 ILE 48 2HG1 ILE 48 3.104 6.426 0.010 169 1HG2 ILE 48 1HG2 ILE 48 3.841 4.569 2.432 170 2HG2 ILE 48 2HG2 ILE 48 2.606 4.107 1.238 171 3HG2 ILE 48 3HG2 ILE 48 3.995 3.037 1.541 172 1HD1 ILE 48 1HD1 ILE 48 4.452 8.024 1.558 173 2HD1 ILE 48 2HD1 ILE 48 3.508 6.731 2.336 174 3HD1 ILE 48 3HD1 ILE 48 5.267 6.552 2.140 175 H LYS 49 H LYS 49 7.698 4.499 -1.374 176 HA LYS 49 HA LYS 49 7.134 1.978 -2.413 177 2HB LYS 49 2HB LYS 49 9.405 2.269 -3.508 178 2HG LYS 49 2HG LYS 49 8.650 4.467 -4.674 179 2HD LYS 49 2HD LYS 49 6.227 2.942 -4.944 180 2HE LYS 49 2HE LYS 49 7.165 2.371 -7.126 181 1HZ LYS 49 1HZ LYS 49 6.761 4.802 -6.446 182 2HZ LYS 49 2HZ LYS 49 8.382 4.955 -6.575 183 3HZ LYS 49 3HZ LYS 49 7.500 4.484 -7.867 184 HA PRO 50 HA PRO 50 10.624 0.524 0.440 185 2HB PRO 50 2HB PRO 50 12.242 2.063 1.003 186 2HG PRO 50 2HG PRO 50 11.600 4.265 0.763 187 2HD PRO 50 2HD PRO 50 9.936 4.037 -0.807 188 H TRP 51 H TRP 51 8.000 2.331 1.782 189 HA TRP 51 HA TRP 51 7.804 0.705 4.114 190 2HB TRP 51 2HB TRP 51 5.779 2.554 2.839 191 HD1 TRP 51 HD TRP 51 6.468 2.685 6.558 192 HE1 TRP 51 1HE TRP 51 4.433 1.799 7.985 193 HE3 TRP 51 3HE TRP 51 3.894 0.724 2.636 194 HZ2 TRP 51 2HZ TRP 51 2.029 0.410 7.328 195 HZ3 TRP 51 3HZ TRP 51 1.711 -0.380 3.115 196 HH2 TRP 51 HH TRP 51 0.773 -0.555 5.365 197 H ILE 52 H ILE 52 6.116 0.929 0.910 198 HA ILE 52 HA ILE 52 4.368 -1.208 1.416 199 HB ILE 52 HB ILE 52 5.206 0.435 -0.896 200 2HG1 ILE 52 2HG1 ILE 52 3.005 0.253 0.845 201 1HG2 ILE 52 1HG2 ILE 52 3.972 -2.308 -1.222 202 2HG2 ILE 52 2HG2 ILE 52 3.905 -1.032 -2.461 203 3HG2 ILE 52 3HG2 ILE 52 5.476 -1.690 -1.945 204 1HD1 ILE 52 1HD1 ILE 52 4.151 2.083 -0.902 205 2HD1 ILE 52 2HD1 ILE 52 2.579 1.751 -1.669 206 3HD1 ILE 52 3HD1 ILE 52 2.644 2.342 0.009 207 H THR 53 H THR 53 7.527 -1.009 -0.356 208 HA THR 53 HA THR 53 7.653 -3.707 -1.038 209 HB THR 53 HB THR 53 9.856 -1.658 -0.450 210 HG1 THR 53 1HG THR 53 8.224 -2.525 -2.724 211 1HG2 THR 53 1HG2 THR 53 9.837 -4.181 -2.190 212 2HG2 THR 53 2HG2 THR 53 11.155 -2.986 -2.121 213 3HG2 THR 53 3HG2 THR 53 10.773 -3.974 -0.691 214 H LYS 54 H LYS 54 8.560 -2.002 1.983 215 HA LYS 54 HA LYS 54 9.795 -4.311 3.094 216 2HB LYS 54 2HB LYS 54 8.799 -1.775 4.426 217 2HG LYS 54 2HG LYS 54 11.156 -3.185 5.506 218 2HD LYS 54 2HD LYS 54 8.629 -2.736 7.067 219 2HE LYS 54 2HE LYS 54 11.489 -2.960 7.537 220 1HZ LYS 54 1HZ LYS 54 10.652 -0.377 7.620 221 2HZ LYS 54 2HZ LYS 54 10.613 -0.848 9.183 222 3HZ LYS 54 3HZ LYS 54 11.996 -0.979 8.326 223 H ARG 55 H ARG 55 6.519 -2.864 3.097 224 HA ARG 55 HA ARG 55 5.563 -4.544 5.121 225 2HB ARG 55 2HB ARG 55 3.302 -3.848 3.705 226 2HG ARG 55 2HG ARG 55 3.435 -1.639 5.060 227 2HD ARG 55 2HD ARG 55 3.120 -4.380 5.905 228 HE ARG 55 HE ARG 55 5.168 -3.278 7.413 229 1HH1 ARG 55 2HH2 ARG 55 1.844 -4.197 8.111 230 2HH1 ARG 55 1HH2 ARG 55 2.160 -4.566 9.773 231 1HH2 ARG 55 2HH1 ARG 55 5.586 -3.765 9.606 232 2HH2 ARG 55 1HH1 ARG 55 4.303 -4.318 10.630 233 H VAL 56 H VAL 56 5.307 -4.569 1.496 234 HA VAL 56 HA VAL 56 3.790 -6.904 1.326 235 HB VAL 56 HB VAL 56 4.581 -6.933 -1.012 236 1HG1 VAL 56 1HG1 VAL 56 2.675 -5.542 -0.398 237 2HG1 VAL 56 2HG1 VAL 56 3.763 -4.206 0.047 238 3HG1 VAL 56 3HG1 VAL 56 3.647 -4.732 -1.649 239 1HG2 VAL 56 1HG2 VAL 56 6.725 -6.235 -1.255 240 2HG2 VAL 56 2HG2 VAL 56 5.955 -4.646 -1.479 241 3HG2 VAL 56 3HG2 VAL 56 6.626 -5.094 0.108 242 H THR 57 H THR 57 7.339 -6.307 1.449 243 HA THR 57 HA THR 57 8.041 -9.012 0.980 244 HB THR 57 HB THR 57 9.500 -6.619 2.217 245 HG1 THR 57 1HG THR 57 8.663 -6.731 -0.112 246 1HG2 THR 57 1HG2 THR 57 10.864 -8.475 2.857 247 2HG2 THR 57 2HG2 THR 57 10.424 -9.406 1.404 248 3HG2 THR 57 3HG2 THR 57 11.520 -8.010 1.269 249 H GLU 58 H GLU 58 7.369 -7.083 3.930 250 HA GLU 58 HA GLU 58 8.203 -9.174 5.631 251 2HB GLU 58 2HB GLU 58 6.747 -7.680 7.301 252 2HG GLU 58 2HG GLU 58 9.047 -6.127 6.195 253 H ILE 59 H ILE 59 5.210 -8.284 3.965 254 HA ILE 59 HA ILE 59 3.371 -9.602 5.564 255 HB ILE 59 HB ILE 59 3.518 -8.784 2.698 256 2HG1 ILE 59 2HG1 ILE 59 2.924 -7.330 4.791 257 1HG2 ILE 59 1HG2 ILE 59 1.473 -10.661 3.879 258 2HG2 ILE 59 2HG2 ILE 59 1.095 -9.588 2.508 259 3HG2 ILE 59 3HG2 ILE 59 2.384 -10.807 2.357 260 1HD1 ILE 59 1HD1 ILE 59 1.918 -7.402 2.026 261 2HD1 ILE 59 2HD1 ILE 59 0.804 -6.565 3.134 262 3HD1 ILE 59 3HD1 ILE 59 2.491 -6.017 2.986 263 H LEU 60 H LEU 60 5.378 -10.810 2.804 264 HA LEU 60 HA LEU 60 4.499 -13.513 3.490 265 2HB LEU 60 2HB LEU 60 4.422 -13.825 1.317 266 HG LEU 60 HG LEU 60 4.304 -11.173 1.256 267 1HD1 LEU 60 1HD1 LEU 60 6.026 -10.220 -0.219 268 2HD1 LEU 60 2HD1 LEU 60 6.704 -10.791 1.325 269 3HD1 LEU 60 3HD1 LEU 60 6.923 -11.756 -0.155 270 1HD2 LEU 60 1HD2 LEU 60 4.624 -13.092 -1.048 271 2HD2 LEU 60 2HD2 LEU 60 3.136 -12.402 -0.357 272 3HD2 LEU 60 3HD2 LEU 60 4.241 -11.372 -1.299 273 H GLY 61 H GLY 61 7.437 -11.469 2.994 274 1HA GLY 61 1HA GLY 61 9.094 -11.816 4.820 275 2HA GLY 61 2HA GLY 61 8.972 -13.528 4.466 276 H PHE 62 H PHE 62 8.508 -12.315 1.471 277 HA PHE 62 HA PHE 62 11.368 -11.943 0.949 278 2HB PHE 62 2HB PHE 62 10.913 -14.195 0.236 279 HD1 PHE 62 1HD PHE 62 8.411 -12.741 -2.050 280 HD2 PHE 62 2HD PHE 62 9.079 -15.342 1.236 281 HE1 PHE 62 1HE PHE 62 6.081 -13.646 -2.292 282 HE2 PHE 62 2HE PHE 62 6.751 -16.247 0.994 283 HZ PHE 62 HZ PHE 62 5.279 -15.388 -0.767 284 H GLU 63 H GLU 63 11.849 -10.749 -1.053 285 HA GLU 63 HA GLU 63 10.006 -8.637 -1.381 286 2HB GLU 63 2HB GLU 63 12.384 -9.134 -3.194 287 2HG GLU 63 2HG GLU 63 11.904 -6.504 -1.903 288 H ASP 64 H ASP 64 8.166 -8.811 -2.585 289 HA ASP 64 HA ASP 64 8.002 -10.819 -4.584 290 2HB ASP 64 2HB ASP 64 5.693 -10.223 -4.725 291 H ASP 65 H ASP 65 6.167 -9.143 -6.329 292 HA ASP 65 HA ASP 65 7.702 -6.972 -7.267 293 2HB ASP 65 2HB ASP 65 7.524 -8.534 -9.633 294 H VAL 66 H VAL 66 5.279 -9.570 -7.967 295 HA VAL 66 HA VAL 66 3.769 -8.089 -9.813 296 HB VAL 66 HB VAL 66 3.866 -10.629 -9.213 297 1HG1 VAL 66 1HG1 VAL 66 1.695 -9.620 -7.349 298 2HG1 VAL 66 2HG1 VAL 66 1.860 -11.317 -7.860 299 3HG1 VAL 66 3HG1 VAL 66 3.157 -10.540 -6.922 300 1HG2 VAL 66 1HG2 VAL 66 1.385 -10.790 -10.024 301 2HG2 VAL 66 2HG2 VAL 66 1.507 -9.019 -10.167 302 3HG2 VAL 66 3HG2 VAL 66 2.614 -10.066 -11.087 303 H VAL 67 H VAL 67 3.579 -8.524 -6.234 304 HA VAL 67 HA VAL 67 1.225 -6.948 -6.006 305 HB VAL 67 HB VAL 67 1.346 -7.426 -3.780 306 1HG1 VAL 67 1HG1 VAL 67 1.613 -9.511 -5.279 307 2HG1 VAL 67 2HG1 VAL 67 3.281 -9.570 -4.661 308 3HG1 VAL 67 3HG1 VAL 67 1.910 -9.689 -3.533 309 1HG2 VAL 67 1HG2 VAL 67 3.473 -7.806 -2.520 310 2HG2 VAL 67 2HG2 VAL 67 4.373 -7.397 -4.001 311 3HG2 VAL 67 3HG2 VAL 67 3.334 -6.177 -3.225 312 H ILE 68 H ILE 68 4.769 -6.372 -5.697 313 HA ILE 68 HA ILE 68 4.558 -3.759 -4.730 314 HB ILE 68 HB ILE 68 6.745 -5.042 -6.370 315 2HG1 ILE 68 2HG1 ILE 68 6.013 -6.263 -4.265 316 1HG2 ILE 68 1HG2 ILE 68 8.168 -3.332 -5.757 317 2HG2 ILE 68 2HG2 ILE 68 6.645 -2.456 -6.040 318 3HG2 ILE 68 3HG2 ILE 68 7.159 -2.835 -4.378 319 1HD1 ILE 68 1HD1 ILE 68 8.181 -6.952 -3.953 320 2HD1 ILE 68 2HD1 ILE 68 8.495 -5.916 -5.366 321 3HD1 ILE 68 3HD1 ILE 68 8.780 -5.291 -3.724 322 H GLU 69 H GLU 69 4.805 -5.088 -8.086 323 HA GLU 69 HA GLU 69 4.902 -2.637 -9.341 324 2HB GLU 69 2HB GLU 69 3.540 -4.348 -11.106 325 2HG GLU 69 2HG GLU 69 6.464 -4.782 -10.939 326 H PHE 70 H PHE 70 2.112 -4.683 -8.322 327 HA PHE 70 HA PHE 70 0.109 -3.246 -9.568 328 2HB PHE 70 2HB PHE 70 -1.025 -4.130 -7.215 329 HD1 PHE 70 1HD PHE 70 0.087 -7.220 -7.672 330 HD2 PHE 70 2HD PHE 70 -1.792 -4.201 -9.987 331 HE1 PHE 70 1HE PHE 70 -0.864 -8.977 -9.191 332 HE2 PHE 70 2HE PHE 70 -2.744 -5.959 -11.506 333 HZ PHE 70 HZ PHE 70 -2.268 -8.325 -11.090 334 H ILE 71 H ILE 71 1.656 -2.782 -6.331 335 HA ILE 71 HA ILE 71 -0.063 -0.637 -5.632 336 HB ILE 71 HB ILE 71 2.619 -1.465 -4.514 337 2HG1 ILE 71 2HG1 ILE 71 0.247 -2.920 -4.546 338 1HG2 ILE 71 1HG2 ILE 71 0.616 0.597 -3.723 339 2HG2 ILE 71 2HG2 ILE 71 1.398 -0.346 -2.431 340 3HG2 ILE 71 3HG2 ILE 71 2.390 0.594 -3.573 341 1HD1 ILE 71 1HD1 ILE 71 1.550 -4.466 -3.457 342 2HD1 ILE 71 2HD1 ILE 71 2.854 -3.304 -3.798 343 3HD1 ILE 71 3HD1 ILE 71 2.056 -3.305 -2.207 344 H PHE 72 H PHE 72 3.277 -0.901 -6.988 345 HA PHE 72 HA PHE 72 3.769 1.848 -7.000 346 2HB PHE 72 2HB PHE 72 5.439 1.037 -8.846 347 HD1 PHE 72 1HD PHE 72 7.524 -0.367 -8.288 348 HD2 PHE 72 2HD PHE 72 4.425 0.412 -5.495 349 HE1 PHE 72 1HE PHE 72 9.092 -0.896 -6.400 350 HE2 PHE 72 2HE PHE 72 5.993 -0.118 -3.608 351 HZ PHE 72 HZ PHE 72 8.307 -0.766 -4.083 352 H ASN 73 H ASN 73 2.536 -0.390 -9.579 353 HA ASN 73 HA ASN 73 2.384 1.519 -11.548 354 2HB ASN 73 2HB ASN 73 0.393 -0.111 -12.327 355 1HD2 ASN 73 1HD2 ASN 73 3.356 -1.459 -10.905 356 2HD2 ASN 73 2HD2 ASN 73 4.188 -1.787 -12.387 357 H GLN 74 H GLN 74 0.081 0.471 -8.973 358 HA GLN 74 HA GLN 74 -2.031 2.073 -9.940 359 2HB GLN 74 2HB GLN 74 -2.888 1.583 -7.487 360 2HG GLN 74 2HG GLN 74 -3.945 0.335 -9.181 361 1HE2 GLN 74 1HE2 GLN 74 -2.156 -2.408 -9.263 362 2HE2 GLN 74 2HE2 GLN 74 -1.366 -2.258 -10.798 363 H LEU 75 H LEU 75 0.594 2.445 -7.522 364 HA LEU 75 HA LEU 75 -0.453 4.947 -6.583 365 2HB LEU 75 2HB LEU 75 1.810 4.980 -5.401 366 HG LEU 75 HG LEU 75 0.253 2.461 -4.808 367 1HD1 LEU 75 1HD1 LEU 75 0.994 2.735 -2.577 368 2HD1 LEU 75 2HD1 LEU 75 2.421 2.978 -3.612 369 3HD1 LEU 75 3HD1 LEU 75 1.593 4.381 -2.896 370 1HD2 LEU 75 1HD2 LEU 75 -1.451 4.099 -5.065 371 2HD2 LEU 75 2HD2 LEU 75 -1.169 3.907 -3.318 372 3HD2 LEU 75 3HD2 LEU 75 -0.508 5.319 -4.176 373 H GLU 76 H GLU 76 0.936 3.987 -9.457 374 HA GLU 76 HA GLU 76 2.710 6.213 -9.722 375 2HB GLU 76 2HB GLU 76 2.542 5.246 -12.243 376 2HG GLU 76 2HG GLU 76 4.021 3.254 -10.797 377 H VAL 77 H VAL 77 -0.607 5.906 -9.683 378 HA VAL 77 HA VAL 77 -1.001 7.866 -11.824 379 HB VAL 77 HB VAL 77 -3.270 7.204 -11.849 380 1HG1 VAL 77 1HG1 VAL 77 -2.650 5.448 -13.076 381 2HG1 VAL 77 2HG1 VAL 77 -1.149 5.274 -12.135 382 3HG1 VAL 77 3HG1 VAL 77 -2.636 4.458 -11.595 383 1HG2 VAL 77 1HG2 VAL 77 -4.402 6.516 -10.053 384 2HG2 VAL 77 2HG2 VAL 77 -3.339 5.100 -9.866 385 3HG2 VAL 77 3HG2 VAL 77 -2.898 6.650 -9.111 386 H LYS 78 H LYS 78 -3.268 9.174 -10.980 387 HA LYS 78 HA LYS 78 -2.239 10.575 -8.624 388 2HB LYS 78 2HB LYS 78 -3.587 12.472 -9.428 389 2HG LYS 78 2HG LYS 78 -1.183 11.685 -10.392 390 2HD LYS 78 2HD LYS 78 -2.744 12.073 -12.957 391 2HE LYS 78 2HE LYS 78 -0.388 10.274 -12.821 392 1HZ LYS 78 1HZ LYS 78 -1.548 11.374 -14.778 393 2HZ LYS 78 2HZ LYS 78 -0.705 12.717 -14.386 394 3HZ LYS 78 3HZ LYS 78 0.085 11.343 -14.782 395 H ASN 79 H ASN 79 -4.683 8.393 -9.734 396 HA ASN 79 HA ASN 79 -6.001 8.735 -7.180 397 2HB ASN 79 2HB ASN 79 -8.022 8.031 -9.113 398 1HD2 ASN 79 1HD2 ASN 79 -6.524 10.987 -7.795 399 2HD2 ASN 79 2HD2 ASN 79 -7.870 11.506 -6.837 400 HA PRO 80 HA PRO 80 -5.161 4.398 -8.172 401 2HB PRO 80 2HB PRO 80 -3.243 4.206 -6.913 402 2HG PRO 80 2HG PRO 80 -2.832 5.986 -5.507 403 2HD PRO 80 2HD PRO 80 -4.001 7.642 -6.593 404 H ASP 81 H ASP 81 -6.276 2.438 -7.842 405 HA ASP 81 HA ASP 81 -8.776 3.010 -6.500 406 2HB ASP 81 2HB ASP 81 -7.917 0.760 -8.378 407 H SER 82 H SER 82 -7.936 2.699 -4.285 408 HA SER 82 HA SER 82 -6.364 0.786 -3.347 409 2HB SER 82 2HB SER 82 -7.195 2.403 -1.816 410 HG SER 82 HG SER 82 -9.227 2.921 -2.686 411 H LYS 83 H LYS 83 -9.640 0.384 -4.624 412 HA LYS 83 HA LYS 83 -10.266 -2.066 -3.441 413 2HB LYS 83 2HB LYS 83 -11.923 -2.254 -5.237 414 2HG LYS 83 2HG LYS 83 -13.035 -0.025 -4.906 415 2HD LYS 83 2HD LYS 83 -11.739 -0.743 -2.266 416 2HE LYS 83 2HE LYS 83 -13.607 0.938 -2.384 417 1HZ LYS 83 1HZ LYS 83 -15.759 -0.625 -2.765 418 2HZ LYS 83 2HZ LYS 83 -15.167 0.440 -3.852 419 3HZ LYS 83 3HZ LYS 83 -14.754 -1.136 -3.947 420 H MET 84 H MET 84 -8.618 -1.252 -6.563 421 HA MET 84 HA MET 84 -8.245 -3.963 -7.213 422 2HB MET 84 2HB MET 84 -6.343 -2.588 -8.680 423 2HG MET 84 2HG MET 84 -7.920 -2.552 -10.445 424 1HE MET 84 1HE MET 84 -6.999 -5.472 -7.999 425 2HE MET 84 2HE MET 84 -6.918 -5.998 -9.697 426 3HE MET 84 3HE MET 84 -6.349 -4.374 -9.240 427 H MET 85 H MET 85 -6.411 -1.541 -5.363 428 HA MET 85 HA MET 85 -3.930 -2.735 -5.477 429 2HB MET 85 2HB MET 85 -4.785 -1.486 -2.879 430 2HG MET 85 2HG MET 85 -2.588 -1.001 -4.939 431 1HE MET 85 1HE MET 85 -4.126 1.596 -4.991 432 2HE MET 85 2HE MET 85 -2.799 2.699 -4.555 433 3HE MET 85 3HE MET 85 -2.472 1.269 -5.562 434 H GLN 86 H GLN 86 -6.584 -3.114 -3.022 435 HA GLN 86 HA GLN 86 -5.148 -5.040 -1.571 436 2HB GLN 86 2HB GLN 86 -8.118 -5.063 -1.367 437 2HG GLN 86 2HG GLN 86 -6.497 -4.110 0.903 438 1HE2 GLN 86 1HE2 GLN 86 -8.683 -3.913 1.566 439 2HE2 GLN 86 2HE2 GLN 86 -9.596 -5.284 2.101 440 H ILE 87 H ILE 87 -7.452 -5.128 -4.296 441 HA ILE 87 HA ILE 87 -8.015 -7.884 -4.127 442 HB ILE 87 HB ILE 87 -8.376 -5.706 -6.127 443 2HG1 ILE 87 2HG1 ILE 87 -9.913 -6.588 -4.099 444 1HG2 ILE 87 1HG2 ILE 87 -8.564 -8.658 -6.754 445 2HG2 ILE 87 2HG2 ILE 87 -9.413 -7.401 -7.685 446 3HG2 ILE 87 3HG2 ILE 87 -7.634 -7.402 -7.607 447 1HD1 ILE 87 1HD1 ILE 87 -10.280 -5.058 -6.544 448 2HD1 ILE 87 2HD1 ILE 87 -11.768 -5.954 -6.155 449 3HD1 ILE 87 3HD1 ILE 87 -11.062 -4.840 -4.960 450 H ASN 88 H ASN 88 -5.469 -5.931 -5.735 451 HA ASN 88 HA ASN 88 -4.455 -8.134 -7.163 452 2HB ASN 88 2HB ASN 88 -2.340 -6.424 -7.111 453 1HD2 ASN 88 1HD2 ASN 88 -3.827 -4.049 -8.287 454 2HD2 ASN 88 2HD2 ASN 88 -4.341 -4.565 -9.858 455 H LEU 89 H LEU 89 -3.842 -6.524 -4.008 456 HA LEU 89 HA LEU 89 -1.422 -7.853 -3.440 457 2HB LEU 89 2HB LEU 89 -2.155 -7.174 -1.036 458 HG LEU 89 HG LEU 89 -1.860 -4.940 -3.058 459 1HD1 LEU 89 1HD1 LEU 89 -1.222 -3.557 -1.320 460 2HD1 LEU 89 2HD1 LEU 89 -2.512 -4.528 -0.572 461 3HD1 LEU 89 3HD1 LEU 89 -0.805 -4.914 -0.246 462 1HD2 LEU 89 1HD2 LEU 89 0.017 -7.036 -2.295 463 2HD2 LEU 89 2HD2 LEU 89 0.107 -5.832 -3.603 464 3HD2 LEU 89 3HD2 LEU 89 0.644 -5.403 -1.961 465 H THR 90 H THR 90 -4.888 -8.518 -2.673 466 HA THR 90 HA THR 90 -4.436 -10.739 -1.045 467 HB THR 90 HB THR 90 -6.778 -10.122 -2.923 468 HG1 THR 90 1HG THR 90 -7.440 -8.880 -1.038 469 1HG2 THR 90 1HG2 THR 90 -7.546 -11.076 -0.328 470 2HG2 THR 90 2HG2 THR 90 -7.792 -11.890 -1.892 471 3HG2 THR 90 3HG2 THR 90 -6.318 -12.207 -0.946 472 H GLY 91 H GLY 91 -4.067 -10.321 -4.502 473 1HA GLY 91 1HA GLY 91 -4.450 -13.012 -5.284 474 2HA GLY 91 2HA GLY 91 -3.576 -11.767 -6.154 475 H PHE 92 H PHE 92 -1.931 -11.393 -3.470 476 HA PHE 92 HA PHE 92 -0.181 -13.702 -3.950 477 2HB PHE 92 2HB PHE 92 1.127 -11.357 -2.788 478 HD1 PHE 92 1HD PHE 92 3.344 -11.376 -3.433 479 HD2 PHE 92 2HD PHE 92 0.444 -13.009 -6.066 480 HE1 PHE 92 1HE PHE 92 5.172 -12.133 -4.977 481 HE2 PHE 92 2HE PHE 92 2.272 -13.766 -7.610 482 HZ PHE 92 HZ PHE 92 4.614 -13.319 -7.047 483 H LEU 93 H LEU 93 -1.165 -11.152 -1.561 484 HA LEU 93 HA LEU 93 0.069 -12.341 0.633 485 2HB LEU 93 2HB LEU 93 -1.231 -10.853 1.956 486 HG LEU 93 HG LEU 93 -1.070 -9.292 -0.612 487 1HD1 LEU 93 1HD1 LEU 93 -1.266 -7.519 0.709 488 2HD1 LEU 93 2HD1 LEU 93 -1.602 -8.632 2.056 489 3HD1 LEU 93 3HD1 LEU 93 0.062 -8.076 1.756 490 1HD2 LEU 93 1HD2 LEU 93 1.417 -8.941 0.394 491 2HD2 LEU 93 2HD2 LEU 93 1.151 -10.656 0.788 492 3HD2 LEU 93 3HD2 LEU 93 1.015 -10.099 -0.897 493 H ASN 94 H ASN 94 -1.953 -12.663 2.586 494 HA ASN 94 HA ASN 94 -2.876 -15.260 1.760 495 2HB ASN 94 2HB ASN 94 -3.632 -15.251 4.299 496 1HD2 ASN 94 1HD2 ASN 94 -0.438 -13.856 4.008 497 2HD2 ASN 94 2HD2 ASN 94 0.483 -15.317 4.132 498 H GLY 95 H GLY 95 -3.969 -11.994 2.003 499 1HA GLY 95 1HA GLY 95 -6.148 -11.557 1.027 500 2HA GLY 95 2HA GLY 95 -6.793 -12.878 1.981 501 H LYS 96 H LYS 96 -5.621 -12.467 4.505 502 HA LYS 96 HA LYS 96 -7.193 -10.257 5.407 503 2HB LYS 96 2HB LYS 96 -5.442 -11.455 7.400 504 2HG LYS 96 2HG LYS 96 -8.328 -12.123 7.348 505 2HD LYS 96 2HD LYS 96 -6.237 -11.180 9.225 506 2HE LYS 96 2HE LYS 96 -8.662 -9.612 8.965 507 1HZ LYS 96 1HZ LYS 96 -9.640 -9.948 10.987 508 2HZ LYS 96 2HZ LYS 96 -9.327 -11.489 10.548 509 3HZ LYS 96 3HZ LYS 96 -8.367 -10.739 11.635 510 H ASN 97 H ASN 97 -3.781 -10.922 4.679 511 HA ASN 97 HA ASN 97 -2.755 -8.770 6.126 512 2HB ASN 97 2HB ASN 97 -1.027 -9.172 3.931 513 1HD2 ASN 97 1HD2 ASN 97 -0.774 -8.168 6.371 514 2HD2 ASN 97 2HD2 ASN 97 0.195 -9.163 7.406 515 H ALA 98 H ALA 98 -4.154 -9.218 2.861 516 HA ALA 98 HA ALA 98 -3.241 -6.815 1.729 517 1HB ALA 98 1HB ALA 98 -5.863 -7.847 0.832 518 2HB ALA 98 2HB ALA 98 -4.361 -7.587 -0.086 519 3HB ALA 98 3HB ALA 98 -4.571 -9.070 0.876 520 H ARG 99 H ARG 99 -6.119 -7.716 3.691 521 HA ARG 99 HA ARG 99 -7.395 -5.263 3.323 522 2HB ARG 99 2HB ARG 99 -8.311 -6.230 5.783 523 2HG ARG 99 2HG ARG 99 -9.079 -6.930 2.919 524 2HD ARG 99 2HD ARG 99 -10.008 -8.765 4.123 525 HE ARG 99 HE ARG 99 -9.983 -6.955 6.411 526 1HH1 ARG 99 2HH2 ARG 99 -11.442 -9.884 5.117 527 2HH1 ARG 99 1HH2 ARG 99 -11.844 -10.525 6.675 528 1HH2 ARG 99 2HH1 ARG 99 -10.513 -7.800 8.467 529 2HH2 ARG 99 1HH1 ARG 99 -11.312 -9.331 8.593 530 H GLU 100 H GLU 100 -5.122 -6.583 5.789 531 HA GLU 100 HA GLU 100 -5.340 -4.304 7.447 532 2HB GLU 100 2HB GLU 100 -2.953 -5.549 8.145 533 2HG GLU 100 2HG GLU 100 -4.862 -7.063 9.464 534 H PHE 101 H PHE 101 -3.218 -5.376 4.777 535 HA PHE 101 HA PHE 101 -1.157 -3.551 5.156 536 2HB PHE 101 2HB PHE 101 -2.453 -4.848 2.688 537 HD1 PHE 101 1HD PHE 101 -2.108 -3.027 1.115 538 HD2 PHE 101 2HD PHE 101 1.134 -4.610 3.349 539 HE1 PHE 101 1HE PHE 101 -0.488 -1.881 -0.424 540 HE2 PHE 101 2HE PHE 101 2.753 -3.465 1.811 541 HZ PHE 101 HZ PHE 101 1.923 -2.114 -0.057 542 H MET 102 H MET 102 -4.164 -3.331 3.132 543 HA MET 102 HA MET 102 -3.571 -0.798 2.156 544 2HB MET 102 2HB MET 102 -6.228 -0.837 1.877 545 2HG MET 102 2HG MET 102 -6.035 -2.432 -0.006 546 1HE MET 102 1HE MET 102 -6.184 -0.318 -1.520 547 2HE MET 102 2HE MET 102 -6.194 0.408 0.105 548 3HE MET 102 3HE MET 102 -5.174 1.107 -1.177 549 H GLY 103 H GLY 103 -4.899 -1.922 5.225 550 1HA GLY 103 1HA GLY 103 -6.038 0.654 5.922 551 2HA GLY 103 2HA GLY 103 -5.983 -0.798 6.901 552 H GLU 104 H GLU 104 -2.995 0.170 5.314 553 HA GLU 104 HA GLU 104 -2.140 1.529 7.729 554 2HB GLU 104 2HB GLU 104 0.077 0.183 7.490 555 2HG GLU 104 2HG GLU 104 -1.697 -1.909 8.359 556 H LEU 105 H LEU 105 -1.784 0.749 4.271 557 HA LEU 105 HA LEU 105 0.209 2.856 3.984 558 2HB LEU 105 2HB LEU 105 -0.357 0.369 2.676 559 HG LEU 105 HG LEU 105 0.209 1.098 0.361 560 1HD1 LEU 105 1HD1 LEU 105 -2.264 0.783 1.544 561 2HD1 LEU 105 2HD1 LEU 105 -2.436 2.312 0.648 562 3HD1 LEU 105 3HD1 LEU 105 -1.933 0.832 -0.204 563 1HD2 LEU 105 1HD2 LEU 105 0.510 3.221 -0.234 564 2HD2 LEU 105 2HD2 LEU 105 -0.990 3.743 0.568 565 3HD2 LEU 105 3HD2 LEU 105 0.519 3.609 1.503 566 H TRP 106 H TRP 106 -3.171 1.986 3.207 567 HA TRP 106 HA TRP 106 -3.666 4.066 1.412 568 2HB TRP 106 2HB TRP 106 -5.680 2.870 3.309 569 HD1 TRP 106 HD TRP 106 -7.858 4.211 2.786 570 HE1 TRP 106 1HE TRP 106 -9.118 5.201 0.690 571 HE3 TRP 106 3HE TRP 106 -4.268 2.994 -0.603 572 HZ2 TRP 106 2HZ TRP 106 -8.486 5.360 -2.089 573 HZ3 TRP 106 3HZ TRP 106 -4.668 3.601 -2.988 574 HH2 TRP 106 HH TRP 106 -6.690 4.744 -3.749 575 HA PRO 107 HA PRO 107 -4.729 6.426 5.407 576 2HB PRO 107 2HB PRO 107 -5.377 5.174 7.226 577 2HG PRO 107 2HG PRO 107 -4.734 2.960 7.149 578 2HD PRO 107 2HD PRO 107 -4.506 2.680 4.878 579 H LEU 108 H LEU 108 -1.634 4.933 5.067 580 HA LEU 108 HA LEU 108 -0.122 6.882 6.346 581 2HB LEU 108 2HB LEU 108 1.200 5.771 4.030 582 HG LEU 108 HG LEU 108 1.846 6.211 6.701 583 1HD1 LEU 108 1HD1 LEU 108 2.598 3.987 7.512 584 2HD1 LEU 108 2HD1 LEU 108 0.828 4.153 7.429 585 3HD1 LEU 108 3HD1 LEU 108 1.694 3.230 6.178 586 1HD2 LEU 108 1HD2 LEU 108 3.128 5.455 4.243 587 2HD2 LEU 108 2HD2 LEU 108 3.786 6.344 5.637 588 3HD2 LEU 108 3HD2 LEU 108 3.859 4.566 5.600 589 H LEU 109 H LEU 109 -1.407 6.667 2.987 590 HA LEU 109 HA LEU 109 -0.092 9.047 2.161 591 2HB LEU 109 2HB LEU 109 -1.286 8.782 0.132 592 HG LEU 109 HG LEU 109 -0.538 6.120 1.332 593 1HD1 LEU 109 1HD1 LEU 109 -2.144 5.300 -0.088 594 2HD1 LEU 109 2HD1 LEU 109 -1.975 6.646 -1.241 595 3HD1 LEU 109 3HD1 LEU 109 -0.740 5.367 -1.180 596 1HD2 LEU 109 1HD2 LEU 109 1.429 7.152 0.822 597 2HD2 LEU 109 2HD2 LEU 109 1.085 6.392 -0.751 598 3HD2 LEU 109 3HD2 LEU 109 0.719 8.115 -0.497 599 H LEU 110 H LEU 110 -3.194 8.222 3.701 600 HA LEU 110 HA LEU 110 -4.596 10.534 3.169 601 2HB LEU 110 2HB LEU 110 -5.472 9.934 5.630 602 HG LEU 110 HG LEU 110 -7.134 9.513 4.147 603 1HD1 LEU 110 1HD1 LEU 110 -6.679 7.971 2.074 604 2HD1 LEU 110 2HD1 LEU 110 -6.152 9.672 2.076 605 3HD1 LEU 110 3HD1 LEU 110 -4.978 8.376 2.407 606 1HD2 LEU 110 1HD2 LEU 110 -6.482 7.351 5.629 607 2HD2 LEU 110 2HD2 LEU 110 -7.915 7.442 4.577 608 3HD2 LEU 110 3HD2 LEU 110 -6.436 6.639 3.999 609 H SER 111 H SER 111 -2.148 9.838 5.728 610 HA SER 111 HA SER 111 -2.440 12.444 6.812 611 2HB SER 111 2HB SER 111 -0.274 10.341 7.259 612 HG SER 111 HG SER 111 -0.172 12.809 8.025 613 H ALA 112 H ALA 112 -0.364 10.790 4.431 614 HA ALA 112 HA ALA 112 1.688 12.707 4.352 615 1HB ALA 112 1HB ALA 112 0.710 10.857 2.143 616 2HB ALA 112 2HB ALA 112 2.332 11.570 2.309 617 3HB ALA 112 3HB ALA 112 1.772 10.350 3.478 618 H GLN 113 H GLN 113 -1.378 12.273 2.479 619 HA GLN 113 HA GLN 113 -0.927 14.400 0.766 620 2HB GLN 113 2HB GLN 113 -2.625 12.646 0.370 621 2HG GLN 113 2HG GLN 113 -3.908 13.919 2.813 622 1HE2 GLN 113 1HE2 GLN 113 -4.606 11.364 0.430 623 2HE2 GLN 113 2HE2 GLN 113 -6.278 11.740 0.187 624 H GLU 114 H GLU 114 -1.545 14.348 4.148 625 HA GLU 114 HA GLU 114 -2.845 16.918 4.125 626 2HB GLU 114 2HB GLU 114 -2.788 16.582 6.660 627 2HG GLU 114 2HG GLU 114 -4.093 14.112 5.976 628 H ASN 115 H ASN 115 0.312 15.708 3.920 629 HA ASN 115 HA ASN 115 1.477 17.755 5.556 630 2HB ASN 115 2HB ASN 115 3.404 16.419 3.838 631 1HD2 ASN 115 1HD2 ASN 115 1.878 15.246 6.809 632 2HD2 ASN 115 2HD2 ASN 115 3.164 15.643 7.900 633 H ILE 116 H ILE 116 3.795 18.359 3.945 634 HA ILE 116 HA ILE 116 2.527 19.832 1.744 635 HB ILE 116 HB ILE 116 3.601 21.015 3.777 636 2HG1 ILE 116 2HG1 ILE 116 3.868 22.902 2.489 637 1HG2 ILE 116 1HG2 ILE 116 6.076 20.223 2.218 638 2HG2 ILE 116 2HG2 ILE 116 6.021 21.480 3.477 639 3HG2 ILE 116 3HG2 ILE 116 5.671 19.785 3.895 640 1HD1 ILE 116 1HD1 ILE 116 5.812 22.614 1.218 641 2HD1 ILE 116 2HD1 ILE 116 5.277 21.045 0.569 642 3HD1 ILE 116 3HD1 ILE 116 4.567 22.556 -0.053 643 H ALA 117 H ALA 117 5.396 17.905 2.778 644 HA ALA 117 HA ALA 117 6.351 17.815 0.051 645 1HB ALA 117 1HB ALA 117 7.421 16.222 2.389 646 2HB ALA 117 2HB ALA 117 8.292 16.861 0.976 647 3HB ALA 117 3HB ALA 117 7.736 17.968 2.253 648 H GLY 118 H GLY 118 3.797 16.422 1.591 649 1HA GLY 118 1HA GLY 118 2.510 14.646 1.079 650 2HA GLY 118 2HA GLY 118 3.543 14.330 -0.301 651 H ILE 119 H ILE 119 4.524 14.485 3.172 652 HA ILE 119 HA ILE 119 5.209 11.635 2.958 653 HB ILE 119 HB ILE 119 6.762 13.985 3.806 654 2HG1 ILE 119 2HG1 ILE 119 7.359 11.234 2.698 655 1HG2 ILE 119 1HG2 ILE 119 6.402 13.061 6.004 656 2HG2 ILE 119 2HG2 ILE 119 6.824 11.429 5.433 657 3HG2 ILE 119 3HG2 ILE 119 8.066 12.702 5.482 658 1HD1 ILE 119 1HD1 ILE 119 7.581 12.304 0.687 659 2HD1 ILE 119 2HD1 ILE 119 6.561 13.552 1.442 660 3HD1 ILE 119 3HD1 ILE 119 8.330 13.740 1.426 661 HA PRO 120 HA PRO 120 2.542 11.185 6.335 662 2HB PRO 120 2HB PRO 120 2.046 9.019 5.734 663 2HG PRO 120 2HG PRO 120 3.589 8.030 4.333 664 2HD PRO 120 2HD PRO 120 4.518 9.899 3.368 665 H SER 121 H SER 121 2.371 11.315 8.583 666 HA SER 121 HA SER 121 4.616 12.391 9.752 667 2HB SER 121 2HB SER 121 2.305 12.788 10.544 668 HG SER 121 HG SER 121 2.099 10.138 10.535 669 H ALA 122 H ALA 122 3.777 9.093 9.100 670 HA ALA 122 HA ALA 122 4.939 7.797 11.277 671 1HB ALA 122 1HB ALA 122 3.542 7.067 9.051 672 2HB ALA 122 2HB ALA 122 5.179 6.538 8.594 673 3HB ALA 122 3HB ALA 122 4.428 5.922 10.085 674 H PHE 123 H PHE 123 6.303 9.449 8.455 675 HA PHE 123 HA PHE 123 8.930 8.340 9.063 676 2HB PHE 123 2HB PHE 123 9.485 9.411 6.868 677 HD1 PHE 123 1HD PHE 123 7.702 6.909 8.099 678 HD2 PHE 123 2HD PHE 123 7.779 9.229 4.546 679 HE1 PHE 123 1HE PHE 123 6.652 5.010 6.837 680 HE2 PHE 123 2HE PHE 123 6.729 7.329 3.284 681 HZ PHE 123 HZ PHE 123 6.178 5.244 4.444 682 H LEU 124 H LEU 124 7.064 11.412 8.963 683 HA LEU 124 HA LEU 124 9.130 13.188 9.327 684 2HB LEU 124 2HB LEU 124 7.450 14.685 10.235 685 HG LEU 124 HG LEU 124 6.298 12.949 8.035 686 1HD1 LEU 124 1HD1 LEU 124 4.425 14.131 8.107 687 2HD1 LEU 124 2HD1 LEU 124 5.011 14.952 9.573 688 3HD1 LEU 124 3HD1 LEU 124 5.342 15.649 7.969 689 1HD2 LEU 124 1HD2 LEU 124 8.272 13.832 7.176 690 2HD2 LEU 124 2HD2 LEU 124 7.035 15.002 6.654 691 3HD2 LEU 124 3HD2 LEU 124 8.083 15.374 8.045 692 H GLU 125 H GLU 125 6.980 11.967 11.996 693 HA GLU 125 HA GLU 125 8.398 12.875 14.062 694 2HB GLU 125 2HB GLU 125 6.977 10.190 13.809 695 2HG GLU 125 2HG GLU 125 8.567 10.387 15.812 696 H LEU 126 H LEU 126 8.983 9.761 12.302 697 HA LEU 126 HA LEU 126 10.944 8.687 13.819 698 2HB LEU 126 2HB LEU 126 11.867 8.134 11.337 699 HG LEU 126 HG LEU 126 9.354 6.984 12.579 700 1HD1 LEU 126 1HD1 LEU 126 11.047 5.814 10.355 701 2HD1 LEU 126 2HD1 LEU 126 9.602 5.090 11.099 702 3HD1 LEU 126 3HD1 LEU 126 9.455 6.582 10.141 703 1HD2 LEU 126 1HD2 LEU 126 11.879 6.885 13.581 704 2HD2 LEU 126 2HD2 LEU 126 10.639 5.634 13.836 705 3HD2 LEU 126 3HD2 LEU 126 11.861 5.428 12.558 706 H LYS 127 H LYS 127 12.052 10.271 10.793 707 HA LYS 127 HA LYS 127 13.685 12.122 12.273 708 2HB LYS 127 2HB LYS 127 15.025 10.082 12.452 709 2HG LYS 127 2HG LYS 127 15.714 9.983 9.578 710 2HD LYS 127 2HD LYS 127 14.871 7.883 11.631 711 2HE LYS 127 2HE LYS 127 16.048 6.312 10.028 712 1HZ LYS 127 1HZ LYS 127 13.653 6.556 9.988 713 2HZ LYS 127 2HZ LYS 127 13.758 7.765 8.896 714 3HZ LYS 127 3HZ LYS 127 14.228 6.255 8.489 715 H LYS 128 H LYS 128 11.842 13.178 10.901 716 HA LYS 128 HA LYS 128 13.134 14.107 8.492 717 2HB LYS 128 2HB LYS 128 10.613 13.715 7.489 718 2HG LYS 128 2HG LYS 128 13.263 12.311 7.257 719 2HD LYS 128 2HD LYS 128 10.631 11.111 6.547 720 2HE LYS 128 2HE LYS 128 12.910 11.367 4.541 721 1HZ LYS 128 1HZ LYS 128 11.098 9.198 5.019 722 2HZ LYS 128 2HZ LYS 128 11.155 9.705 3.468 723 3HZ LYS 128 3HZ LYS 128 12.520 9.211 4.217 724 H GLU 129 H GLU 129 13.160 15.686 10.523 725 HA GLU 129 HA GLU 129 10.799 16.945 11.223 726 2HB GLU 129 2HB GLU 129 13.228 18.646 11.251 727 2HG GLU 129 2HG GLU 129 11.178 17.594 13.227 728 H GLU 130 H GLU 130 10.337 19.373 10.771 729 HA GLU 130 HA GLU 130 11.312 20.603 8.520 730 2HB GLU 130 2HB GLU 130 8.643 19.945 7.572 731 2HG GLU 130 2HG GLU 130 10.270 18.946 5.684 732 H ILE 131 H ILE 131 11.065 21.912 10.655 733 HA ILE 131 HA ILE 131 9.898 23.276 12.013 734 HB ILE 131 HB ILE 131 9.385 24.211 9.205 735 2HG1 ILE 131 2HG1 ILE 131 11.057 25.943 9.880 736 1HG2 ILE 131 1HG2 ILE 131 9.034 26.382 10.984 737 2HG2 ILE 131 2HG2 ILE 131 7.846 25.661 9.872 738 3HG2 ILE 131 3HG2 ILE 131 7.969 25.072 11.547 739 1HD1 ILE 131 1HD1 ILE 131 11.826 24.134 12.168 740 2HD1 ILE 131 2HD1 ILE 131 12.200 25.856 11.914 741 3HD1 ILE 131 3HD1 ILE 131 10.570 25.367 12.437 742 H LYS 132 H LYS 132 8.502 21.575 12.912 743 HA LYS 132 HA LYS 132 5.965 21.094 11.751 744 2HB LYS 132 2HB LYS 132 7.207 19.504 13.214 745 2HG LYS 132 2HG LYS 132 7.614 21.575 14.921 746 2HD LYS 132 2HD LYS 132 5.095 21.623 15.415 747 2HE LYS 132 2HE LYS 132 5.723 18.819 16.071 748 1HZ LYS 132 1HZ LYS 132 3.955 19.242 17.974 749 2HZ LYS 132 2HZ LYS 132 5.561 19.152 18.262 750 3HZ LYS 132 3HZ LYS 132 4.833 20.609 18.137 751 H GLN 133 H GLN 133 4.058 22.179 11.954 752 HA GLN 133 HA GLN 133 3.782 24.014 14.149 753 2HB GLN 133 2HB GLN 133 4.854 25.386 12.376 754 2HG GLN 133 2HG GLN 133 2.709 25.714 10.541 755 1HE2 GLN 133 1HE2 GLN 133 3.779 23.619 8.731 756 2HE2 GLN 133 2HE2 GLN 133 5.345 24.158 8.226 757 H ARG 134 H ARG 134 1.494 24.782 14.383 758 HA ARG 134 HA ARG 134 -0.252 22.698 14.030 759 2HB ARG 134 2HB ARG 134 -0.551 24.486 15.728 760 2HG ARG 134 2HG ARG 134 -1.138 26.212 13.280 761 2HD ARG 134 2HD ARG 134 -1.859 26.544 16.203 762 HE ARG 134 HE ARG 134 -0.397 28.531 14.934 763 1HH1 ARG 134 2HH2 ARG 134 -3.728 28.267 16.033 764 2HH1 ARG 134 1HH2 ARG 134 -3.899 29.964 16.335 765 1HH2 ARG 134 2HH1 ARG 134 -0.621 30.771 15.331 766 2HH2 ARG 134 1HH1 ARG 134 -2.119 31.397 15.932
Contact the webmaster for help, if required. Tuesday, May 28, 2024 11:28:43 PM GMT (wattos1)