NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
503903 | 2cot | 11205 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -23.414 33.811 -10.149 2 HA2 GLY 1 1HA GLY 1 -23.719 34.309 -7.347 3 HA3 GLY 1 2HA GLY 1 -23.918 32.606 -7.733 4 H SER 2 H SER 2 -22.063 32.053 -6.547 5 HA SER 2 HA SER 2 -19.569 32.556 -8.000 6 HB2 SER 2 1HB SER 2 -18.336 33.099 -6.032 7 HB3 SER 2 2HB SER 2 -19.779 34.112 -6.002 8 HG SER 2 HG SER 2 -18.957 32.348 -4.184 9 H SER 3 H SER 3 -18.062 30.896 -7.900 10 HA SER 3 HA SER 3 -18.386 28.629 -6.189 11 HB2 SER 3 1HB SER 3 -19.427 28.540 -8.988 12 HB3 SER 3 2HB SER 3 -18.624 27.106 -8.347 13 HG SER 3 HG SER 3 -20.353 26.710 -7.241 14 H GLY 4 H GLY 4 -16.857 26.804 -6.935 15 HA2 GLY 4 1HA GLY 4 -14.871 26.751 -8.669 16 HA3 GLY 4 2HA GLY 4 -14.335 28.091 -7.667 17 H SER 5 H SER 5 -13.326 25.269 -8.185 18 HA SER 5 HA SER 5 -13.595 23.634 -5.973 19 HB2 SER 5 1HB SER 5 -11.190 24.084 -7.752 20 HB3 SER 5 2HB SER 5 -11.301 22.782 -6.567 21 HG SER 5 HG SER 5 -12.152 21.776 -8.225 22 H SER 6 H SER 6 -13.141 23.896 -3.899 23 HA SER 6 HA SER 6 -10.953 25.718 -3.147 24 HB2 SER 6 1HB SER 6 -13.681 25.462 -1.867 25 HB3 SER 6 2HB SER 6 -12.328 26.313 -1.121 26 HG SER 6 HG SER 6 -12.581 27.182 -3.619 27 H GLY 7 H GLY 7 -13.096 23.172 -1.856 28 HA2 GLY 7 1HA GLY 7 -12.689 21.514 -0.308 29 HA3 GLY 7 2HA GLY 7 -11.216 21.287 -1.239 30 H ARG 8 H ARG 8 -10.089 20.666 0.644 31 HA ARG 8 HA ARG 8 -8.947 20.949 2.611 32 HB2 ARG 8 1HB ARG 8 -7.819 22.422 0.736 33 HB3 ARG 8 2HB ARG 8 -8.355 23.750 1.756 34 HG2 ARG 8 1HG ARG 8 -7.108 22.829 3.634 35 HG3 ARG 8 2HG ARG 8 -6.586 21.476 2.629 36 HD2 ARG 8 1HD ARG 8 -4.771 22.833 2.392 37 HD3 ARG 8 2HD ARG 8 -5.756 23.438 1.060 38 HE ARG 8 HE ARG 8 -6.199 24.825 3.535 39 HH11 ARG 8 2HH1 ARG 8 -4.213 24.636 0.682 40 HH12 ARG 8 1HH1 ARG 8 -3.715 26.293 0.760 41 HH21 ARG 8 2HH2 ARG 8 -5.550 27.009 3.649 42 HH22 ARG 8 1HH2 ARG 8 -4.475 27.642 2.448 43 H SER 9 H SER 9 -11.662 21.445 2.973 44 HA SER 9 HA SER 9 -11.842 23.872 4.586 45 HB2 SER 9 1HB SER 9 -14.239 23.411 4.683 46 HB3 SER 9 2HB SER 9 -13.679 23.344 3.013 47 HG SER 9 HG SER 9 -13.651 20.962 4.448 48 H GLU 10 H GLU 10 -10.109 21.940 5.603 49 HA GLU 10 HA GLU 10 -11.586 20.627 7.762 50 HB2 GLU 10 1HB GLU 10 -9.550 19.388 8.196 51 HB3 GLU 10 2HB GLU 10 -9.939 19.299 6.483 52 HG2 GLU 10 1HG GLU 10 -7.721 19.726 6.331 53 HG3 GLU 10 2HG GLU 10 -8.321 21.383 6.373 54 H TRP 11 H TRP 11 -10.877 20.831 9.965 55 HA TRP 11 HA TRP 11 -9.812 23.511 10.525 56 HB2 TRP 11 1HB TRP 11 -12.119 22.639 11.387 57 HB3 TRP 11 2HB TRP 11 -11.148 21.782 12.582 58 HD1 TRP 11 HD TRP 11 -11.901 25.388 11.419 59 HE1 TRP 11 1HE TRP 11 -11.488 26.972 13.406 60 HE3 TRP 11 3HE TRP 11 -10.020 22.015 14.769 61 HZ2 TRP 11 2HZ TRP 11 -10.496 26.812 16.044 62 HZ3 TRP 11 3HZ TRP 11 -9.363 22.812 17.003 63 HH2 TRP 11 HH TRP 11 -9.596 25.161 17.625 64 H GLN 12 H GLN 12 -9.494 20.112 11.454 65 HA GLN 12 HA GLN 12 -6.781 20.702 12.400 66 HB2 GLN 12 1HB GLN 12 -8.261 20.558 14.370 67 HB3 GLN 12 2HB GLN 12 -8.760 18.949 13.867 68 HG2 GLN 12 1HG GLN 12 -7.151 18.659 15.563 69 HG3 GLN 12 2HG GLN 12 -6.355 18.258 14.042 70 HE21 GLN 12 1HE2 GLN 12 -6.518 20.462 16.699 71 HE22 GLN 12 2HE2 GLN 12 -5.084 21.350 16.324 72 H GLN 13 H GLN 13 -5.368 19.483 11.352 73 HA GLN 13 HA GLN 13 -6.291 16.984 10.124 74 HB2 GLN 13 1HB GLN 13 -4.355 17.172 8.655 75 HB3 GLN 13 2HB GLN 13 -5.307 18.650 8.610 76 HG2 GLN 13 1HG GLN 13 -3.238 19.555 8.769 77 HG3 GLN 13 2HG GLN 13 -3.601 19.383 10.486 78 HE21 GLN 13 1HE2 GLN 13 -2.403 17.268 7.894 79 HE22 GLN 13 2HE2 GLN 13 -1.055 16.657 8.785 80 H ARG 14 H ARG 14 -5.707 15.106 10.975 81 HA ARG 14 HA ARG 14 -3.252 14.996 12.599 82 HB2 ARG 14 1HB ARG 14 -5.604 14.887 13.783 83 HB3 ARG 14 2HB ARG 14 -5.572 13.219 13.228 84 HG2 ARG 14 1HG ARG 14 -3.642 12.731 14.499 85 HG3 ARG 14 2HG ARG 14 -3.344 14.439 14.830 86 HD2 ARG 14 1HD ARG 14 -5.792 12.952 15.763 87 HD3 ARG 14 2HD ARG 14 -4.333 13.142 16.735 88 HE ARG 14 HE ARG 14 -6.319 15.156 16.158 89 HH11 ARG 14 2HH1 ARG 14 -3.066 14.510 17.217 90 HH12 ARG 14 1HH1 ARG 14 -2.896 16.021 18.045 91 HH21 ARG 14 2HH2 ARG 14 -6.108 17.150 17.246 92 HH22 ARG 14 1HH2 ARG 14 -4.627 17.522 18.062 93 H GLU 15 H GLU 15 -2.394 14.328 10.446 94 HA GLU 15 HA GLU 15 -3.166 11.703 9.501 95 HB2 GLU 15 1HB GLU 15 -1.581 12.053 7.729 96 HB3 GLU 15 2HB GLU 15 -2.499 13.536 7.949 97 HG2 GLU 15 1HG GLU 15 -0.638 14.476 9.246 98 HG3 GLU 15 2HG GLU 15 0.285 13.002 8.960 99 H ARG 16 H ARG 16 -1.808 9.877 9.446 100 HA ARG 16 HA ARG 16 -0.524 9.168 11.749 101 HB2 ARG 16 1HB ARG 16 0.703 7.460 10.313 102 HB3 ARG 16 2HB ARG 16 -1.053 7.447 10.225 103 HG2 ARG 16 1HG ARG 16 -0.422 7.243 8.013 104 HG3 ARG 16 2HG ARG 16 -0.734 8.973 8.169 105 HD2 ARG 16 1HD ARG 16 1.477 9.526 8.008 106 HD3 ARG 16 2HD ARG 16 2.020 8.001 8.707 107 HE ARG 16 HE ARG 16 0.922 7.335 6.283 108 HH11 ARG 16 2HH1 ARG 16 3.474 9.431 7.384 109 HH12 ARG 16 1HH1 ARG 16 4.412 9.264 5.937 110 HH21 ARG 16 2HH2 ARG 16 2.148 7.108 4.373 111 HH22 ARG 16 1HH2 ARG 16 3.657 7.943 4.225 112 H ARG 17 H ARG 17 1.797 8.668 12.116 113 HA ARG 17 HA ARG 17 3.380 10.884 12.222 114 HB2 ARG 17 1HB ARG 17 4.024 7.960 12.170 115 HB3 ARG 17 2HB ARG 17 5.334 9.133 12.169 116 HG2 ARG 17 1HG ARG 17 3.147 9.199 14.221 117 HG3 ARG 17 2HG ARG 17 4.591 8.204 14.415 118 HD2 ARG 17 1HD ARG 17 4.720 11.153 13.845 119 HD3 ARG 17 2HD ARG 17 4.634 10.509 15.483 120 HE ARG 17 HE ARG 17 6.715 9.168 14.354 121 HH11 ARG 17 2HH1 ARG 17 5.906 12.531 14.750 122 HH12 ARG 17 1HH1 ARG 17 7.556 13.053 14.830 123 HH21 ARG 17 2HH2 ARG 17 8.891 9.843 14.458 124 HH22 ARG 17 1HH2 ARG 17 9.253 11.524 14.663 125 H ARG 18 H ARG 18 4.948 11.848 10.975 126 HA ARG 18 HA ARG 18 4.641 11.957 8.241 127 HB2 ARG 18 1HB ARG 18 7.059 12.573 9.940 128 HB3 ARG 18 2HB ARG 18 6.972 12.944 8.224 129 HG2 ARG 18 1HG ARG 18 5.003 13.974 10.250 130 HG3 ARG 18 2HG ARG 18 6.451 14.850 9.750 131 HD2 ARG 18 1HD ARG 18 5.580 14.566 7.365 132 HD3 ARG 18 2HD ARG 18 4.049 14.104 8.107 133 HE ARG 18 HE ARG 18 3.673 16.304 8.586 134 HH11 ARG 18 2HH1 ARG 18 7.065 15.861 7.940 135 HH12 ARG 18 1HH1 ARG 18 7.430 17.554 7.993 136 HH21 ARG 18 2HH2 ARG 18 4.141 18.536 8.658 137 HH22 ARG 18 1HH2 ARG 18 5.766 19.074 8.402 138 H TYR 19 H TYR 19 6.964 10.019 10.095 139 HA TYR 19 HA TYR 19 7.369 8.370 7.690 140 HB2 TYR 19 1HB TYR 19 9.517 8.918 9.740 141 HB3 TYR 19 2HB TYR 19 9.695 8.120 8.181 142 HD1 TYR 19 1HD TYR 19 8.247 9.949 6.392 143 HD2 TYR 19 2HD TYR 19 10.883 10.799 9.622 144 HE1 TYR 19 1HE TYR 19 8.818 12.103 5.351 145 HE2 TYR 19 2HE TYR 19 11.460 12.956 8.591 146 HH TYR 19 HH TYR 19 11.385 13.820 5.970 147 H LYS 20 H LYS 20 5.960 6.768 8.313 148 HA LYS 20 HA LYS 20 6.893 5.071 10.501 149 HB2 LYS 20 1HB LYS 20 5.197 6.243 11.646 150 HB3 LYS 20 2HB LYS 20 4.126 6.227 10.250 151 HG2 LYS 20 1HG LYS 20 4.017 3.718 10.523 152 HG3 LYS 20 2HG LYS 20 4.819 3.948 12.079 153 HD2 LYS 20 1HD LYS 20 3.007 5.101 12.980 154 HD3 LYS 20 2HD LYS 20 2.342 5.489 11.392 155 HE2 LYS 20 1HE LYS 20 2.561 2.637 12.255 156 HE3 LYS 20 2HE LYS 20 1.240 3.634 12.863 157 HZ1 LYS 20 1HZ LYS 20 1.332 2.304 10.458 158 HZ2 LYS 20 2HZ LYS 20 1.537 3.933 10.053 159 HZ3 LYS 20 3HZ LYS 20 0.181 3.447 10.939 160 H CYS 21 H CYS 21 6.468 2.886 10.227 161 HA CYS 21 HA CYS 21 5.725 2.128 7.509 162 HB2 CYS 21 1HB CYS 21 7.824 1.250 8.484 163 HB3 CYS 21 2HB CYS 21 6.887 0.446 9.739 164 H ASP 22 H ASP 22 4.060 0.747 7.002 165 HA ASP 22 HA ASP 22 1.982 0.502 9.036 166 HB2 ASP 22 1HB ASP 22 1.365 1.440 6.851 167 HB3 ASP 22 2HB ASP 22 1.889 -0.045 6.061 168 H GLU 23 H GLU 23 4.263 -1.427 7.301 169 HA GLU 23 HA GLU 23 3.036 -3.940 7.453 170 HB2 GLU 23 1HB GLU 23 5.958 -3.178 7.478 171 HB3 GLU 23 2HB GLU 23 5.381 -4.832 7.333 172 HG2 GLU 23 1HG GLU 23 4.861 -2.580 5.406 173 HG3 GLU 23 2HG GLU 23 5.948 -3.946 5.162 174 H CYS 24 H CYS 24 5.549 -2.601 9.606 175 HA CYS 24 HA CYS 24 4.792 -4.552 11.647 176 HB2 CYS 24 1HB CYS 24 6.849 -3.732 12.815 177 HB3 CYS 24 2HB CYS 24 7.156 -4.422 11.225 178 H GLY 25 H GLY 25 5.303 -1.042 11.324 179 HA2 GLY 25 1HA GLY 25 3.565 0.431 12.221 180 HA3 GLY 25 2HA GLY 25 3.420 -0.683 13.571 181 H LYS 26 H LYS 26 6.379 0.569 12.092 182 HA LYS 26 HA LYS 26 7.063 1.758 14.698 183 HB2 LYS 26 1HB LYS 26 8.655 0.329 12.631 184 HB3 LYS 26 2HB LYS 26 9.450 1.636 13.499 185 HG2 LYS 26 1HG LYS 26 9.418 0.520 15.493 186 HG3 LYS 26 2HG LYS 26 7.989 -0.424 15.068 187 HD2 LYS 26 1HD LYS 26 9.287 -1.802 13.574 188 HD3 LYS 26 2HD LYS 26 10.715 -0.795 13.828 189 HE2 LYS 26 1HE LYS 26 9.326 -2.258 16.061 190 HE3 LYS 26 2HE LYS 26 10.628 -2.976 15.114 191 HZ1 LYS 26 1HZ LYS 26 11.579 -2.038 17.056 192 HZ2 LYS 26 2HZ LYS 26 10.777 -0.565 16.835 193 HZ3 LYS 26 3HZ LYS 26 12.008 -1.026 15.770 194 H SER 27 H SER 27 8.438 3.702 14.622 195 HA SER 27 HA SER 27 7.888 5.353 12.243 196 HB2 SER 27 1HB SER 27 7.570 7.289 13.721 197 HB3 SER 27 2HB SER 27 6.416 6.012 14.105 198 HG SER 27 HG SER 27 7.972 5.376 15.773 199 H PHE 28 H PHE 28 9.367 7.207 11.998 200 HA PHE 28 HA PHE 28 11.943 6.944 13.337 201 HB2 PHE 28 1HB PHE 28 11.691 6.864 10.323 202 HB3 PHE 28 2HB PHE 28 13.193 6.860 11.241 203 HD1 PHE 28 1HD PHE 28 10.078 4.913 10.697 204 HD2 PHE 28 2HD PHE 28 14.162 4.855 11.897 205 HE1 PHE 28 1HE PHE 28 10.017 2.455 10.775 206 HE2 PHE 28 2HE PHE 28 14.107 2.397 11.975 207 HZ PHE 28 HZ PHE 28 12.034 1.193 11.413 208 H SER 29 H SER 29 13.323 8.787 13.057 209 HA SER 29 HA SER 29 11.833 11.237 12.875 210 HB2 SER 29 1HB SER 29 14.805 10.810 13.265 211 HB3 SER 29 2HB SER 29 13.934 12.321 13.522 212 HG SER 29 HG SER 29 12.859 11.391 15.234 213 H HIS 30 H HIS 30 14.234 9.558 10.928 214 HA HIS 30 HA HIS 30 14.024 11.674 8.893 215 HB2 HIS 30 1HB HIS 30 16.300 10.798 9.931 216 HB3 HIS 30 2HB HIS 30 16.096 9.530 8.727 217 HD1 HIS 30 1HD HIS 30 16.862 10.062 6.418 218 HD2 HIS 30 2HD HIS 30 16.374 13.475 8.737 219 HE1 HIS 30 1HE HIS 30 17.736 11.957 5.016 220 H SER 31 H SER 31 13.503 11.171 6.781 221 HA SER 31 HA SER 31 11.851 8.866 6.422 222 HB2 SER 31 1HB SER 31 11.475 9.735 4.167 223 HB3 SER 31 2HB SER 31 11.349 11.038 5.348 224 HG SER 31 HG SER 31 12.641 11.472 3.404 225 H SER 32 H SER 32 15.101 9.782 5.479 226 HA SER 32 HA SER 32 15.600 7.837 3.542 227 HB2 SER 32 1HB SER 32 17.054 9.854 4.416 228 HB3 SER 32 2HB SER 32 17.760 8.622 5.461 229 HG SER 32 HG SER 32 18.430 7.499 3.678 230 H ASP 33 H ASP 33 15.892 7.692 7.062 231 HA ASP 33 HA ASP 33 17.035 5.103 7.171 232 HB2 ASP 33 1HB ASP 33 15.756 6.960 9.116 233 HB3 ASP 33 2HB ASP 33 15.876 5.262 9.573 234 H LEU 34 H LEU 34 13.692 6.259 7.488 235 HA LEU 34 HA LEU 34 12.481 3.800 8.014 236 HB2 LEU 34 1HB LEU 34 11.081 5.586 8.358 237 HB3 LEU 34 2HB LEU 34 11.569 6.391 6.868 238 HG LEU 34 HG LEU 34 10.277 4.552 5.654 239 HD11 LEU 34 1HD1 LEU 34 8.409 3.608 7.036 240 HD12 LEU 34 2HD1 LEU 34 9.292 4.138 8.467 241 HD13 LEU 34 3HD1 LEU 34 10.007 2.946 7.382 242 HD21 LEU 34 1HD2 LEU 34 9.573 7.034 6.501 243 HD22 LEU 34 2HD2 LEU 34 8.286 6.053 7.203 244 HD23 LEU 34 3HD2 LEU 34 8.580 6.011 5.464 245 H SER 35 H SER 35 13.248 5.370 4.940 246 HA SER 35 HA SER 35 11.950 3.634 3.204 247 HB2 SER 35 1HB SER 35 12.920 5.676 2.371 248 HB3 SER 35 2HB SER 35 14.538 5.160 2.846 249 HG SER 35 HG SER 35 12.892 4.004 0.844 250 H LYS 36 H LYS 36 15.184 3.392 4.626 251 HA LYS 36 HA LYS 36 15.889 0.995 3.266 252 HB2 LYS 36 1HB LYS 36 17.015 2.101 5.845 253 HB3 LYS 36 2HB LYS 36 17.773 0.898 4.809 254 HG2 LYS 36 1HG LYS 36 18.339 2.442 3.198 255 HG3 LYS 36 2HG LYS 36 17.080 3.576 3.693 256 HD2 LYS 36 1HD LYS 36 18.332 4.423 5.420 257 HD3 LYS 36 2HD LYS 36 19.256 2.932 5.623 258 HE2 LYS 36 1HE LYS 36 20.742 4.549 4.721 259 HE3 LYS 36 2HE LYS 36 20.347 3.431 3.416 260 HZ1 LYS 36 1HZ LYS 36 20.087 6.180 3.397 261 HZ2 LYS 36 2HZ LYS 36 18.507 5.582 3.464 262 HZ3 LYS 36 3HZ LYS 36 19.543 5.095 2.219 263 H HIS 37 H HIS 37 14.045 1.699 6.098 264 HA HIS 37 HA HIS 37 14.303 -0.838 7.365 265 HB2 HIS 37 1HB HIS 37 13.561 0.738 8.867 266 HB3 HIS 37 2HB HIS 37 12.535 1.541 7.682 267 HD1 HIS 37 1HD HIS 37 12.585 -1.465 9.958 268 HD2 HIS 37 2HD HIS 37 9.906 0.723 7.657 269 HE1 HIS 37 1HE HIS 37 10.307 -2.336 10.569 270 H ARG 38 H ARG 38 11.667 0.617 5.453 271 HA ARG 38 HA ARG 38 9.856 -1.394 5.377 272 HB2 ARG 38 1HB ARG 38 10.710 0.640 3.386 273 HB3 ARG 38 2HB ARG 38 9.678 -0.661 2.808 274 HG2 ARG 38 1HG ARG 38 8.160 0.976 3.385 275 HG3 ARG 38 2HG ARG 38 8.179 -0.051 4.820 276 HD2 ARG 38 1HD ARG 38 8.347 2.054 5.747 277 HD3 ARG 38 2HD ARG 38 10.040 1.578 5.627 278 HE ARG 38 HE ARG 38 10.357 3.313 4.188 279 HH11 ARG 38 2HH1 ARG 38 6.972 2.501 4.209 280 HH12 ARG 38 1HH1 ARG 38 6.516 3.814 3.175 281 HH21 ARG 38 2HH2 ARG 38 9.770 5.047 2.826 282 HH22 ARG 38 1HH2 ARG 38 8.109 5.261 2.389 283 H ARG 39 H ARG 39 12.987 -1.370 3.857 284 HA ARG 39 HA ARG 39 12.685 -3.391 1.971 285 HB2 ARG 39 1HB ARG 39 15.082 -2.676 3.667 286 HB3 ARG 39 2HB ARG 39 15.138 -3.778 2.298 287 HG2 ARG 39 1HG ARG 39 14.381 -1.956 0.828 288 HG3 ARG 39 2HG ARG 39 14.404 -0.859 2.211 289 HD2 ARG 39 1HD ARG 39 16.473 -0.425 1.356 290 HD3 ARG 39 2HD ARG 39 16.879 -1.766 2.427 291 HE ARG 39 HE ARG 39 17.276 -3.095 0.584 292 HH11 ARG 39 2HH1 ARG 39 15.815 -0.090 -0.395 293 HH12 ARG 39 1HH1 ARG 39 16.124 -0.339 -2.081 294 HH21 ARG 39 2HH2 ARG 39 17.689 -3.434 -1.634 295 HH22 ARG 39 1HH2 ARG 39 17.189 -2.241 -2.785 296 H THR 40 H THR 40 13.473 -3.620 5.419 297 HA THR 40 HA THR 40 14.013 -6.309 5.644 298 HB THR 40 HB THR 40 14.197 -4.731 7.525 299 HG1 THR 40 1HG THR 40 12.393 -6.727 8.375 300 HG21 THR 40 1HG2 THR 40 12.487 -3.480 8.217 301 HG22 THR 40 2HG2 THR 40 11.498 -4.913 8.500 302 HG23 THR 40 3HG2 THR 40 11.518 -4.155 6.908 303 H HIS 41 H HIS 41 11.069 -4.839 4.752 304 HA HIS 41 HA HIS 41 9.570 -7.310 5.299 305 HB2 HIS 41 1HB HIS 41 8.463 -4.591 4.573 306 HB3 HIS 41 2HB HIS 41 7.546 -5.997 5.106 307 HD1 HIS 41 1HD HIS 41 8.368 -6.838 7.650 308 HD2 HIS 41 2HD HIS 41 8.951 -2.864 6.585 309 HE1 HIS 41 1HE HIS 41 8.652 -5.595 9.818 310 H THR 42 H THR 42 10.513 -5.045 2.791 311 HA THR 42 HA THR 42 10.341 -6.991 0.748 312 HB THR 42 HB THR 42 8.001 -6.790 0.716 313 HG1 THR 42 1HG THR 42 8.002 -6.417 -1.360 314 HG21 THR 42 1HG2 THR 42 8.513 -3.890 1.241 315 HG22 THR 42 2HG2 THR 42 7.435 -5.007 2.078 316 HG23 THR 42 3HG2 THR 42 7.001 -4.389 0.485 317 H GLY 43 H GLY 43 11.356 -6.326 -1.125 318 HA2 GLY 43 1HA GLY 43 12.609 -3.673 -0.965 319 HA3 GLY 43 2HA GLY 43 13.214 -5.037 -1.893 320 H GLU 44 H GLU 44 10.427 -2.830 -1.718 321 HA GLU 44 HA GLU 44 10.452 -2.735 -4.658 322 HB2 GLU 44 1HB GLU 44 8.150 -2.998 -4.838 323 HB3 GLU 44 2HB GLU 44 8.565 -4.145 -3.572 324 HG2 GLU 44 1HG GLU 44 7.965 -2.339 -1.914 325 HG3 GLU 44 2HG GLU 44 7.290 -1.445 -3.274 326 H LYS 45 H LYS 45 8.650 -0.871 -5.209 327 HA LYS 45 HA LYS 45 9.775 1.536 -4.998 328 HB2 LYS 45 1HB LYS 45 6.926 0.699 -5.104 329 HB3 LYS 45 2HB LYS 45 7.248 2.389 -4.744 330 HG2 LYS 45 1HG LYS 45 7.060 2.443 -7.025 331 HG3 LYS 45 2HG LYS 45 8.803 2.245 -6.832 332 HD2 LYS 45 1HD LYS 45 8.257 0.673 -8.463 333 HD3 LYS 45 2HD LYS 45 8.312 -0.282 -6.979 334 HE2 LYS 45 1HE LYS 45 5.859 -0.063 -6.791 335 HE3 LYS 45 2HE LYS 45 5.840 0.811 -8.322 336 HZ1 LYS 45 1HZ LYS 45 5.580 -1.183 -9.244 337 HZ2 LYS 45 2HZ LYS 45 6.018 -2.008 -7.834 338 HZ3 LYS 45 3HZ LYS 45 7.213 -1.461 -8.898 339 HA PRO 46 HA PRO 46 9.996 2.650 -0.732 340 HB2 PRO 46 1HB PRO 46 10.508 5.296 -1.060 341 HB3 PRO 46 2HB PRO 46 11.718 4.040 -1.349 342 HG2 PRO 46 1HG PRO 46 10.003 5.508 -3.315 343 HG3 PRO 46 2HG PRO 46 11.724 5.094 -3.422 344 HD2 PRO 46 1HD PRO 46 9.803 3.673 -4.696 345 HD3 PRO 46 2HD PRO 46 11.292 2.928 -4.081 346 H TYR 47 H TYR 47 7.518 3.432 -2.797 347 HA TYR 47 HA TYR 47 6.012 4.719 -0.623 348 HB2 TYR 47 1HB TYR 47 5.711 5.445 -3.541 349 HB3 TYR 47 2HB TYR 47 4.932 6.218 -2.165 350 HD1 TYR 47 2HD TYR 47 6.304 7.578 -0.582 351 HD2 TYR 47 1HD TYR 47 7.897 6.071 -4.229 352 HE1 TYR 47 2HE TYR 47 8.155 9.191 -0.434 353 HE2 TYR 47 1HE TYR 47 9.753 7.679 -4.089 354 HH TYR 47 HH TYR 47 10.634 9.382 -2.970 355 H LYS 48 H LYS 48 3.886 4.105 -0.405 356 HA LYS 48 HA LYS 48 2.537 2.511 -2.365 357 HB2 LYS 48 1HB LYS 48 4.189 0.944 -1.138 358 HB3 LYS 48 2HB LYS 48 3.097 1.099 0.231 359 HG2 LYS 48 1HG LYS 48 1.263 0.379 -1.421 360 HG3 LYS 48 2HG LYS 48 2.602 -0.160 -2.438 361 HD2 LYS 48 1HD LYS 48 3.391 -1.629 -0.694 362 HD3 LYS 48 2HD LYS 48 2.172 -1.013 0.425 363 HE2 LYS 48 1HE LYS 48 0.423 -2.044 -0.738 364 HE3 LYS 48 2HE LYS 48 1.402 -2.277 -2.185 365 HZ1 LYS 48 1HZ LYS 48 2.184 -3.605 0.318 366 HZ2 LYS 48 2HZ LYS 48 2.474 -4.076 -1.280 367 HZ3 LYS 48 3HZ LYS 48 0.931 -4.261 -0.610 368 H CYS 49 H CYS 49 0.495 3.138 -2.230 369 HA CYS 49 HA CYS 49 -0.520 4.578 -0.001 370 HB2 CYS 49 1HB CYS 49 -1.231 4.842 -2.419 371 HB3 CYS 49 2HB CYS 49 -2.145 3.349 -2.230 372 H ASP 50 H ASP 50 -2.506 3.996 1.181 373 HA ASP 50 HA ASP 50 -2.466 1.143 1.897 374 HB2 ASP 50 1HB ASP 50 -1.897 2.775 3.692 375 HB3 ASP 50 2HB ASP 50 -3.506 3.471 3.524 376 H GLU 51 H GLU 51 -4.667 3.878 1.365 377 HA GLU 51 HA GLU 51 -7.090 2.586 1.682 378 HB2 GLU 51 1HB GLU 51 -6.306 4.817 -0.194 379 HB3 GLU 51 2HB GLU 51 -7.968 4.286 0.024 380 HG2 GLU 51 1HG GLU 51 -6.162 5.437 2.138 381 HG3 GLU 51 2HG GLU 51 -7.532 6.237 1.369 382 H CYS 52 H CYS 52 -5.435 3.148 -1.431 383 HA CYS 52 HA CYS 52 -7.092 1.155 -2.720 384 HB2 CYS 52 1HB CYS 52 -6.016 1.832 -4.769 385 HB3 CYS 52 2HB CYS 52 -6.434 3.278 -3.856 386 H GLY 53 H GLY 53 -3.741 1.522 -1.688 387 HA2 GLY 53 1HA GLY 53 -2.288 -0.203 -1.079 388 HA3 GLY 53 2HA GLY 53 -3.420 -1.364 -1.758 389 H LYS 54 H LYS 54 -1.808 1.454 -3.206 390 HA LYS 54 HA LYS 54 -0.644 -0.373 -5.206 391 HB2 LYS 54 1HB LYS 54 -2.488 1.300 -5.922 392 HB3 LYS 54 2HB LYS 54 -1.236 2.523 -5.750 393 HG2 LYS 54 1HG LYS 54 0.150 1.025 -7.313 394 HG3 LYS 54 2HG LYS 54 -1.391 0.250 -7.690 395 HD2 LYS 54 1HD LYS 54 -2.307 2.289 -8.508 396 HD3 LYS 54 2HD LYS 54 -0.945 3.224 -7.885 397 HE2 LYS 54 1HE LYS 54 -0.696 1.094 -10.002 398 HE3 LYS 54 2HE LYS 54 -0.904 2.808 -10.357 399 HZ1 LYS 54 1HZ LYS 54 1.421 2.177 -10.422 400 HZ2 LYS 54 2HZ LYS 54 1.347 1.617 -8.828 401 HZ3 LYS 54 3HZ LYS 54 1.146 3.265 -9.156 402 H ALA 55 H ALA 55 1.425 0.192 -6.061 403 HA ALA 55 HA ALA 55 3.037 1.759 -4.165 404 HB1 ALA 55 1HB ALA 55 4.936 0.457 -4.861 405 HB2 ALA 55 2HB ALA 55 3.617 -0.636 -4.438 406 HB3 ALA 55 3HB ALA 55 3.990 -0.317 -6.132 407 H PHE 56 H PHE 56 4.437 3.342 -4.872 408 HA PHE 56 HA PHE 56 4.350 4.013 -7.734 409 HB2 PHE 56 1HB PHE 56 4.259 6.087 -5.543 410 HB3 PHE 56 2HB PHE 56 4.017 6.330 -7.270 411 HD1 PHE 56 2HD PHE 56 2.532 4.885 -4.218 412 HD2 PHE 56 1HD PHE 56 1.897 6.045 -8.263 413 HE1 PHE 56 2HE PHE 56 0.107 4.610 -3.912 414 HE2 PHE 56 1HE PHE 56 -0.530 5.773 -7.964 415 HZ PHE 56 HZ PHE 56 -1.428 5.053 -5.786 416 H ILE 57 H ILE 57 6.176 5.103 -8.554 417 HA ILE 57 HA ILE 57 8.614 4.520 -7.086 418 HB ILE 57 HB ILE 57 8.236 5.600 -9.881 419 HG12 ILE 57 1HG1 ILE 57 9.217 3.173 -10.298 420 HG13 ILE 57 2HG1 ILE 57 8.484 2.855 -8.729 421 HG21 ILE 57 1HG2 ILE 57 10.562 5.401 -8.199 422 HG22 ILE 57 2HG2 ILE 57 10.740 4.389 -9.631 423 HG23 ILE 57 3HG2 ILE 57 10.397 6.109 -9.805 424 HD11 ILE 57 1HD1 ILE 57 6.834 4.195 -10.798 425 HD12 ILE 57 2HD1 ILE 57 7.172 2.473 -10.974 426 HD13 ILE 57 3HD1 ILE 57 6.364 3.070 -9.525 427 H GLN 58 H GLN 58 7.289 7.349 -8.814 428 HA GLN 58 HA GLN 58 9.146 9.113 -7.474 429 HB2 GLN 58 1HB GLN 58 7.123 9.380 -9.641 430 HB3 GLN 58 2HB GLN 58 7.546 10.829 -8.740 431 HG2 GLN 58 1HG GLN 58 9.440 9.050 -10.258 432 HG3 GLN 58 2HG GLN 58 8.890 10.656 -10.736 433 HE21 GLN 58 1HE2 GLN 58 11.489 9.166 -9.706 434 HE22 GLN 58 2HE2 GLN 58 12.206 10.374 -8.701 435 H ARG 59 H ARG 59 8.406 11.045 -6.316 436 HA ARG 59 HA ARG 59 6.563 10.351 -4.257 437 HB2 ARG 59 1HB ARG 59 8.600 11.820 -3.992 438 HB3 ARG 59 2HB ARG 59 7.708 13.086 -4.826 439 HG2 ARG 59 1HG ARG 59 7.258 13.673 -2.683 440 HG3 ARG 59 2HG ARG 59 5.920 12.554 -2.949 441 HD2 ARG 59 1HD ARG 59 6.865 11.974 -0.860 442 HD3 ARG 59 2HD ARG 59 7.404 10.746 -2.005 443 HE ARG 59 HE ARG 59 9.420 12.542 -2.046 444 HH11 ARG 59 2HH1 ARG 59 7.760 10.883 0.526 445 HH12 ARG 59 1HH1 ARG 59 9.138 10.859 1.576 446 HH21 ARG 59 2HH2 ARG 59 11.241 12.516 -0.672 447 HH22 ARG 59 1HH2 ARG 59 11.117 11.789 0.894 448 H SER 60 H SER 60 6.524 13.096 -6.541 449 HA SER 60 HA SER 60 4.063 14.119 -6.102 450 HB2 SER 60 1HB SER 60 3.990 14.760 -8.496 451 HB3 SER 60 2HB SER 60 5.574 15.046 -7.777 452 HG SER 60 HG SER 60 6.012 12.807 -8.654 453 H HIS 61 H HIS 61 4.777 11.190 -7.935 454 HA HIS 61 HA HIS 61 2.347 10.636 -9.081 455 HB2 HIS 61 1HB HIS 61 4.277 8.704 -7.782 456 HB3 HIS 61 2HB HIS 61 2.952 8.225 -8.838 457 HD1 HIS 61 1HD HIS 61 4.809 7.195 -10.414 458 HD2 HIS 61 2HD HIS 61 4.898 11.331 -10.026 459 HE1 HIS 61 1HE HIS 61 6.257 8.016 -12.299 460 H LEU 62 H LEU 62 3.359 9.958 -5.751 461 HA LEU 62 HA LEU 62 0.759 8.880 -5.072 462 HB2 LEU 62 1HB LEU 62 2.741 7.901 -4.078 463 HB3 LEU 62 2HB LEU 62 3.194 9.460 -3.390 464 HG LEU 62 HG LEU 62 0.952 9.289 -2.114 465 HD11 LEU 62 1HD1 LEU 62 0.167 7.339 -3.470 466 HD12 LEU 62 2HD1 LEU 62 0.104 7.098 -1.724 467 HD13 LEU 62 3HD1 LEU 62 1.399 6.363 -2.669 468 HD21 LEU 62 1HD2 LEU 62 3.205 7.409 -1.420 469 HD22 LEU 62 2HD2 LEU 62 2.033 8.111 -0.305 470 HD23 LEU 62 3HD2 LEU 62 3.207 9.146 -1.118 471 H ILE 63 H ILE 63 2.684 11.756 -4.298 472 HA ILE 63 HA ILE 63 1.145 13.010 -2.436 473 HB ILE 63 HB ILE 63 2.433 14.346 -4.820 474 HG12 ILE 63 1HG1 ILE 63 3.527 13.916 -2.033 475 HG13 ILE 63 2HG1 ILE 63 3.935 12.910 -3.419 476 HG21 ILE 63 1HG2 ILE 63 0.716 15.656 -3.449 477 HG22 ILE 63 2HG2 ILE 63 1.906 15.605 -2.149 478 HG23 ILE 63 3HG2 ILE 63 2.305 16.384 -3.680 479 HD11 ILE 63 1HD1 ILE 63 4.332 15.830 -3.689 480 HD12 ILE 63 2HD1 ILE 63 5.442 14.938 -2.648 481 HD13 ILE 63 3HD1 ILE 63 5.270 14.489 -4.344 482 H GLY 64 H GLY 64 0.646 13.147 -5.960 483 HA2 GLY 64 1HA GLY 64 -1.769 14.690 -5.703 484 HA3 GLY 64 2HA GLY 64 -1.133 13.982 -7.181 485 H HIS 65 H HIS 65 -1.007 11.295 -6.358 486 HA HIS 65 HA HIS 65 -3.513 10.353 -7.026 487 HB2 HIS 65 1HB HIS 65 -1.886 8.733 -7.233 488 HB3 HIS 65 2HB HIS 65 -1.133 9.140 -5.694 489 HD1 HIS 65 1HD HIS 65 -4.104 7.275 -7.092 490 HD2 HIS 65 2HD HIS 65 -1.946 7.618 -3.559 491 HE1 HIS 65 1HE HIS 65 -4.975 5.453 -5.593 492 H HIS 66 H HIS 66 -2.122 10.735 -3.779 493 HA HIS 66 HA HIS 66 -3.938 9.657 -2.132 494 HB2 HIS 66 1HB HIS 66 -2.402 12.205 -1.980 495 HB3 HIS 66 2HB HIS 66 -3.647 11.928 -0.767 496 HD1 HIS 66 1HD HIS 66 -0.180 11.445 -1.247 497 HD2 HIS 66 2HD HIS 66 -3.213 9.152 0.427 498 HE1 HIS 66 1HE HIS 66 0.979 9.774 0.232 499 H ARG 67 H ARG 67 -4.456 12.503 -4.107 500 HA ARG 67 HA ARG 67 -6.670 13.666 -3.048 501 HB2 ARG 67 1HB ARG 67 -6.043 13.075 -5.939 502 HB3 ARG 67 2HB ARG 67 -7.403 14.075 -5.446 503 HG2 ARG 67 1HG ARG 67 -4.577 14.667 -4.620 504 HG3 ARG 67 2HG ARG 67 -5.292 15.286 -6.111 505 HD2 ARG 67 1HD ARG 67 -6.313 15.758 -3.312 506 HD3 ARG 67 2HD ARG 67 -5.457 16.926 -4.317 507 HE ARG 67 HE ARG 67 -7.610 16.207 -5.820 508 HH11 ARG 67 2HH1 ARG 67 -7.185 17.452 -2.597 509 HH12 ARG 67 1HH1 ARG 67 -8.703 18.288 -2.579 510 HH21 ARG 67 2HH2 ARG 67 -9.610 17.303 -5.809 511 HH22 ARG 67 1HH2 ARG 67 -10.082 18.202 -4.407 512 H VAL 68 H VAL 68 -6.754 10.911 -5.314 513 HA VAL 68 HA VAL 68 -9.372 10.382 -5.558 514 HB VAL 68 HB VAL 68 -8.904 8.073 -5.842 515 HG11 VAL 68 1HG1 VAL 68 -7.270 10.073 -6.968 516 HG12 VAL 68 2HG1 VAL 68 -6.230 8.684 -6.646 517 HG13 VAL 68 3HG1 VAL 68 -7.674 8.494 -7.641 518 HG21 VAL 68 1HG2 VAL 68 -6.424 8.525 -4.185 519 HG22 VAL 68 2HG2 VAL 68 -7.856 7.611 -3.709 520 HG23 VAL 68 3HG2 VAL 68 -6.829 7.023 -5.016 521 H HIS 69 H HIS 69 -7.479 9.900 -2.644 522 HA HIS 69 HA HIS 69 -9.841 8.852 -1.255 523 HB2 HIS 69 1HB HIS 69 -7.011 9.024 -0.211 524 HB3 HIS 69 2HB HIS 69 -8.347 8.106 0.477 525 HD1 HIS 69 1HD HIS 69 -9.367 6.403 -1.668 526 HD2 HIS 69 2HD HIS 69 -5.318 7.288 -1.379 527 HE1 HIS 69 1HE HIS 69 -8.188 4.576 -2.931 528 H THR 70 H THR 70 -10.886 9.988 0.274 529 HA THR 70 HA THR 70 -10.615 12.759 0.461 530 HB THR 70 HB THR 70 -11.909 10.909 2.474 531 HG1 THR 70 1HG THR 70 -13.364 10.661 0.970 532 HG21 THR 70 1HG2 THR 70 -12.301 13.858 1.949 533 HG22 THR 70 2HG2 THR 70 -11.556 13.143 3.379 534 HG23 THR 70 3HG2 THR 70 -13.269 12.879 3.051 535 H GLY 71 H GLY 71 -9.588 14.123 1.851 536 HA2 GLY 71 1HA GLY 71 -7.845 12.864 3.881 537 HA3 GLY 71 2HA GLY 71 -7.315 14.205 2.877 538 H SER 72 H SER 72 -8.831 13.288 5.771 539 HA SER 72 HA SER 72 -8.967 16.031 6.641 540 HB2 SER 72 1HB SER 72 -11.505 14.381 6.525 541 HB3 SER 72 2HB SER 72 -11.344 15.961 7.293 542 HG SER 72 HG SER 72 -12.115 15.692 4.940 543 H GLY 73 H GLY 73 -8.354 16.119 8.703 544 HA2 GLY 73 1HA GLY 73 -7.703 13.810 10.175 545 HA3 GLY 73 2HA GLY 73 -7.765 15.445 10.816 546 HA PRO 74 HA PRO 74 -11.446 12.645 12.150 547 HB2 PRO 74 1HB PRO 74 -10.448 11.519 14.410 548 HB3 PRO 74 2HB PRO 74 -10.338 10.749 12.823 549 HG2 PRO 74 1HG PRO 74 -8.273 12.325 14.310 550 HG3 PRO 74 2HG PRO 74 -8.085 10.816 13.398 551 HD2 PRO 74 1HD PRO 74 -7.396 13.229 12.380 552 HD3 PRO 74 2HD PRO 74 -8.010 11.906 11.368 553 H SER 75 H SER 75 -12.896 13.767 13.286 554 HA SER 75 HA SER 75 -11.933 15.762 15.208 555 HB2 SER 75 1HB SER 75 -14.183 16.777 14.956 556 HB3 SER 75 2HB SER 75 -13.333 16.643 13.417 557 HG SER 75 HG SER 75 -14.975 14.521 14.170 558 H SER 76 H SER 76 -13.230 16.120 17.168 559 HA SER 76 HA SER 76 -14.847 13.903 18.102 560 HB2 SER 76 1HB SER 76 -12.288 13.484 18.545 561 HB3 SER 76 2HB SER 76 -12.531 14.639 19.855 562 HG SER 76 HG SER 76 -13.201 12.938 20.897 563 H GLY 77 H GLY 77 -16.148 14.419 19.869 564 HA2 GLY 77 1HA GLY 77 -17.185 16.902 20.126 565 HA3 GLY 77 2HA GLY 77 -17.153 15.762 21.463 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -19.340 7.952 34.532 2 HA2 GLY 1 1HA GLY 1 -17.049 7.268 34.120 3 HA3 GLY 1 2HA GLY 1 -17.601 5.600 34.151 4 H SER 2 H SER 2 -16.054 6.485 32.077 5 HA SER 2 HA SER 2 -17.979 6.454 29.852 6 HB2 SER 2 1HB SER 2 -16.359 7.880 28.563 7 HB3 SER 2 2HB SER 2 -17.121 8.704 29.924 8 HG SER 2 HG SER 2 -15.242 8.442 31.104 9 H SER 3 H SER 3 -14.568 5.948 30.733 10 HA SER 3 HA SER 3 -12.971 4.599 29.758 11 HB2 SER 3 1HB SER 3 -15.293 2.819 30.458 12 HB3 SER 3 2HB SER 3 -13.805 2.145 29.793 13 HG SER 3 HG SER 3 -14.269 2.714 32.287 14 H GLY 4 H GLY 4 -14.284 6.007 27.754 15 HA2 GLY 4 1HA GLY 4 -14.817 4.015 25.658 16 HA3 GLY 4 2HA GLY 4 -15.243 5.718 25.584 17 H SER 5 H SER 5 -12.164 4.115 26.350 18 HA SER 5 HA SER 5 -10.413 5.843 25.266 19 HB2 SER 5 1HB SER 5 -10.396 2.847 25.360 20 HB3 SER 5 2HB SER 5 -9.084 3.696 24.542 21 HG SER 5 HG SER 5 -9.859 4.481 27.126 22 H SER 6 H SER 6 -10.665 6.940 23.423 23 HA SER 6 HA SER 6 -11.014 5.389 20.945 24 HB2 SER 6 1HB SER 6 -12.348 7.986 21.722 25 HB3 SER 6 2HB SER 6 -12.272 7.412 20.056 26 HG SER 6 HG SER 6 -13.875 6.598 22.106 27 H GLY 7 H GLY 7 -10.215 6.522 18.998 28 HA2 GLY 7 1HA GLY 7 -7.670 7.805 19.605 29 HA3 GLY 7 2HA GLY 7 -8.180 7.189 18.040 30 H ARG 8 H ARG 8 -7.676 9.940 19.879 31 HA ARG 8 HA ARG 8 -9.620 11.627 18.582 32 HB2 ARG 8 1HB ARG 8 -8.657 11.955 20.927 33 HB3 ARG 8 2HB ARG 8 -7.205 12.548 20.131 34 HG2 ARG 8 1HG ARG 8 -9.859 13.740 19.462 35 HG3 ARG 8 2HG ARG 8 -9.016 14.220 20.936 36 HD2 ARG 8 1HD ARG 8 -7.758 14.283 18.201 37 HD3 ARG 8 2HD ARG 8 -8.583 15.664 18.924 38 HE ARG 8 HE ARG 8 -5.988 14.608 19.640 39 HH11 ARG 8 2HH1 ARG 8 -8.672 16.618 20.575 40 HH12 ARG 8 1HH1 ARG 8 -7.748 17.553 21.704 41 HH21 ARG 8 2HH2 ARG 8 -4.760 15.832 21.123 42 HH22 ARG 8 1HH2 ARG 8 -5.523 17.105 22.014 43 H SER 9 H SER 9 -9.370 12.796 16.777 44 HA SER 9 HA SER 9 -6.670 13.073 15.645 45 HB2 SER 9 1HB SER 9 -7.896 11.224 14.509 46 HB3 SER 9 2HB SER 9 -9.146 12.379 14.046 47 HG SER 9 HG SER 9 -6.555 12.067 13.078 48 H GLU 10 H GLU 10 -6.224 14.997 14.666 49 HA GLU 10 HA GLU 10 -8.397 16.909 14.251 50 HB2 GLU 10 1HB GLU 10 -6.149 17.195 16.192 51 HB3 GLU 10 2HB GLU 10 -6.684 18.625 15.322 52 HG2 GLU 10 1HG GLU 10 -8.608 16.874 16.808 53 HG3 GLU 10 2HG GLU 10 -7.712 18.165 17.607 54 H TRP 11 H TRP 11 -8.013 18.418 12.658 55 HA TRP 11 HA TRP 11 -6.083 17.728 10.694 56 HB2 TRP 11 1HB TRP 11 -6.875 19.985 9.684 57 HB3 TRP 11 2HB TRP 11 -8.029 18.660 9.808 58 HD1 TRP 11 HD TRP 11 -10.249 19.209 10.976 59 HE1 TRP 11 1HE TRP 11 -11.133 21.152 12.415 60 HE3 TRP 11 3HE TRP 11 -5.903 21.839 11.546 61 HZ2 TRP 11 2HZ TRP 11 -10.121 23.490 13.630 62 HZ3 TRP 11 3HZ TRP 11 -5.946 23.919 12.861 63 HH2 TRP 11 HH TRP 11 -8.013 24.725 13.880 64 H GLN 12 H GLN 12 -4.370 19.054 9.869 65 HA GLN 12 HA GLN 12 -2.392 20.149 10.151 66 HB2 GLN 12 1HB GLN 12 -4.250 21.996 10.165 67 HB3 GLN 12 2HB GLN 12 -3.806 22.162 11.859 68 HG2 GLN 12 1HG GLN 12 -1.780 22.302 9.652 69 HG3 GLN 12 2HG GLN 12 -2.676 23.715 10.208 70 HE21 GLN 12 1HE2 GLN 12 0.189 22.331 10.441 71 HE22 GLN 12 2HE2 GLN 12 0.637 22.756 12.054 72 H GLN 13 H GLN 13 -2.741 18.079 11.961 73 HA GLN 13 HA GLN 13 -1.367 19.149 14.336 74 HB2 GLN 13 1HB GLN 13 -3.743 18.343 14.741 75 HB3 GLN 13 2HB GLN 13 -3.162 16.726 14.366 76 HG2 GLN 13 1HG GLN 13 -1.716 16.713 16.241 77 HG3 GLN 13 2HG GLN 13 -1.967 18.434 16.527 78 HE21 GLN 13 1HE2 GLN 13 -3.530 19.036 17.875 79 HE22 GLN 13 2HE2 GLN 13 -4.732 17.990 18.541 80 H ARG 14 H ARG 14 0.686 18.698 13.593 81 HA ARG 14 HA ARG 14 1.676 16.598 12.211 82 HB2 ARG 14 1HB ARG 14 2.916 17.948 14.612 83 HB3 ARG 14 2HB ARG 14 3.790 16.863 13.540 84 HG2 ARG 14 1HG ARG 14 3.212 18.407 11.654 85 HG3 ARG 14 2HG ARG 14 2.582 19.531 12.861 86 HD2 ARG 14 1HD ARG 14 5.350 18.440 13.138 87 HD3 ARG 14 2HD ARG 14 5.037 19.761 12.013 88 HE ARG 14 HE ARG 14 3.892 20.537 14.385 89 HH11 ARG 14 2HH1 ARG 14 7.077 19.624 13.314 90 HH12 ARG 14 1HH1 ARG 14 7.894 20.623 14.471 91 HH21 ARG 14 2HH2 ARG 14 4.956 21.856 15.912 92 HH22 ARG 14 1HH2 ARG 14 6.687 21.891 15.948 93 H GLU 15 H GLU 15 2.433 14.523 12.625 94 HA GLU 15 HA GLU 15 0.953 13.002 14.486 95 HB2 GLU 15 1HB GLU 15 2.204 11.111 13.712 96 HB3 GLU 15 2HB GLU 15 1.886 12.148 12.328 97 HG2 GLU 15 1HG GLU 15 4.450 12.438 13.816 98 HG3 GLU 15 2HG GLU 15 4.242 11.102 12.685 99 H ARG 16 H ARG 16 3.787 14.839 14.823 100 HA ARG 16 HA ARG 16 5.499 14.846 16.373 101 HB2 ARG 16 1HB ARG 16 4.633 15.182 18.637 102 HB3 ARG 16 2HB ARG 16 3.659 16.045 17.454 103 HG2 ARG 16 1HG ARG 16 1.867 14.581 17.675 104 HG3 ARG 16 2HG ARG 16 2.866 13.321 18.403 105 HD2 ARG 16 1HD ARG 16 1.833 14.099 20.279 106 HD3 ARG 16 2HD ARG 16 3.223 15.183 20.249 107 HE ARG 16 HE ARG 16 0.876 16.152 18.865 108 HH11 ARG 16 2HH1 ARG 16 2.663 16.054 21.851 109 HH12 ARG 16 1HH1 ARG 16 1.941 17.497 22.482 110 HH21 ARG 16 2HH2 ARG 16 -0.082 18.052 19.685 111 HH22 ARG 16 1HH2 ARG 16 0.379 18.632 21.249 112 H ARG 17 H ARG 17 5.597 12.389 15.338 113 HA ARG 17 HA ARG 17 5.558 10.490 17.572 114 HB2 ARG 17 1HB ARG 17 5.815 10.088 14.590 115 HB3 ARG 17 2HB ARG 17 5.977 8.788 15.764 116 HG2 ARG 17 1HG ARG 17 3.674 9.310 16.556 117 HG3 ARG 17 2HG ARG 17 3.534 10.457 15.223 118 HD2 ARG 17 1HD ARG 17 2.615 8.620 14.234 119 HD3 ARG 17 2HD ARG 17 4.307 8.361 13.812 120 HE ARG 17 HE ARG 17 4.330 6.516 15.169 121 HH11 ARG 17 2HH1 ARG 17 1.511 8.431 15.883 122 HH12 ARG 17 1HH1 ARG 17 0.807 7.242 16.929 123 HH21 ARG 17 2HH2 ARG 17 3.414 4.943 16.544 124 HH22 ARG 17 1HH2 ARG 17 1.891 5.259 17.305 125 H ARG 18 H ARG 18 7.392 9.124 17.965 126 HA ARG 18 HA ARG 18 9.798 10.440 18.257 127 HB2 ARG 18 1HB ARG 18 9.097 7.520 18.160 128 HB3 ARG 18 2HB ARG 18 10.764 8.037 18.369 129 HG2 ARG 18 1HG ARG 18 10.030 7.707 20.538 130 HG3 ARG 18 2HG ARG 18 9.857 9.450 20.318 131 HD2 ARG 18 1HD ARG 18 7.540 7.721 19.637 132 HD3 ARG 18 2HD ARG 18 7.919 7.956 21.343 133 HE ARG 18 HE ARG 18 6.892 9.930 19.493 134 HH11 ARG 18 2HH1 ARG 18 8.426 9.327 22.559 135 HH12 ARG 18 1HH1 ARG 18 7.944 10.843 23.246 136 HH21 ARG 18 2HH2 ARG 18 6.251 11.928 20.386 137 HH22 ARG 18 1HH2 ARG 18 6.706 12.321 22.010 138 H TYR 19 H TYR 19 9.148 7.878 15.855 139 HA TYR 19 HA TYR 19 11.107 9.186 14.085 140 HB2 TYR 19 1HB TYR 19 10.632 6.209 14.339 141 HB3 TYR 19 2HB TYR 19 11.808 6.992 13.289 142 HD1 TYR 19 2HD TYR 19 10.896 6.618 16.883 143 HD2 TYR 19 1HD TYR 19 13.982 7.338 14.044 144 HE1 TYR 19 2HE TYR 19 12.570 6.501 18.681 145 HE2 TYR 19 1HE TYR 19 15.665 7.222 15.834 146 HH TYR 19 HH TYR 19 14.797 6.297 19.112 147 H LYS 20 H LYS 20 10.805 8.637 11.768 148 HA LYS 20 HA LYS 20 8.380 7.546 10.806 149 HB2 LYS 20 1HB LYS 20 7.427 9.598 11.757 150 HB3 LYS 20 2HB LYS 20 8.553 10.566 10.815 151 HG2 LYS 20 1HG LYS 20 7.492 10.037 8.794 152 HG3 LYS 20 2HG LYS 20 6.609 8.689 9.514 153 HD2 LYS 20 1HD LYS 20 5.600 10.568 11.039 154 HD3 LYS 20 2HD LYS 20 6.099 11.624 9.715 155 HE2 LYS 20 1HE LYS 20 3.857 11.017 9.270 156 HE3 LYS 20 2HE LYS 20 4.853 10.068 8.167 157 HZ1 LYS 20 1HZ LYS 20 4.323 8.771 10.686 158 HZ2 LYS 20 2HZ LYS 20 4.209 8.164 9.112 159 HZ3 LYS 20 3HZ LYS 20 2.934 9.062 9.766 160 H CYS 21 H CYS 21 8.144 7.820 8.452 161 HA CYS 21 HA CYS 21 10.752 8.361 7.191 162 HB2 CYS 21 1HB CYS 21 9.841 5.969 7.190 163 HB3 CYS 21 2HB CYS 21 8.618 6.553 6.066 164 H ASP 22 H ASP 22 10.033 10.614 7.059 165 HA ASP 22 HA ASP 22 7.879 11.724 5.915 166 HB2 ASP 22 1HB ASP 22 9.352 13.484 4.967 167 HB3 ASP 22 2HB ASP 22 9.764 13.071 6.629 168 H GLU 23 H GLU 23 10.355 9.913 4.213 169 HA GLU 23 HA GLU 23 9.882 10.529 1.591 170 HB2 GLU 23 1HB GLU 23 10.712 8.044 2.999 171 HB3 GLU 23 2HB GLU 23 10.248 7.897 1.310 172 HG2 GLU 23 1HG GLU 23 11.890 9.908 0.997 173 HG3 GLU 23 2HG GLU 23 12.554 9.332 2.525 174 H CYS 24 H CYS 24 8.177 8.003 3.444 175 HA CYS 24 HA CYS 24 6.025 8.102 1.438 176 HB2 CYS 24 1HB CYS 24 5.371 5.865 2.494 177 HB3 CYS 24 2HB CYS 24 6.844 5.890 1.528 178 H GLY 25 H GLY 25 6.605 7.832 4.938 179 HA2 GLY 25 1HA GLY 25 5.326 9.480 6.302 180 HA3 GLY 25 2HA GLY 25 3.923 9.005 5.356 181 H LYS 26 H LYS 26 6.367 6.784 6.556 182 HA LYS 26 HA LYS 26 4.297 5.544 8.240 183 HB2 LYS 26 1HB LYS 26 6.526 4.458 6.598 184 HB3 LYS 26 2HB LYS 26 6.138 3.609 8.088 185 HG2 LYS 26 1HG LYS 26 4.107 2.909 7.328 186 HG3 LYS 26 2HG LYS 26 3.908 4.293 6.251 187 HD2 LYS 26 1HD LYS 26 5.439 3.373 4.668 188 HD3 LYS 26 2HD LYS 26 5.925 2.101 5.790 189 HE2 LYS 26 1HE LYS 26 4.460 0.958 4.440 190 HE3 LYS 26 2HE LYS 26 3.382 1.491 5.729 191 HZ1 LYS 26 1HZ LYS 26 2.166 2.219 4.002 192 HZ2 LYS 26 2HZ LYS 26 3.483 2.302 2.945 193 HZ3 LYS 26 3HZ LYS 26 3.210 3.549 4.054 194 H SER 27 H SER 27 4.823 4.825 10.330 195 HA SER 27 HA SER 27 7.279 6.007 11.452 196 HB2 SER 27 1HB SER 27 5.362 7.277 12.222 197 HB3 SER 27 2HB SER 27 4.535 5.799 12.714 198 HG SER 27 HG SER 27 5.882 7.198 14.295 199 H PHE 28 H PHE 28 7.740 4.990 13.702 200 HA PHE 28 HA PHE 28 6.990 2.229 14.001 201 HB2 PHE 28 1HB PHE 28 9.897 2.828 13.441 202 HB3 PHE 28 2HB PHE 28 9.159 1.248 13.684 203 HD1 PHE 28 1HD PHE 28 9.281 4.151 11.392 204 HD2 PHE 28 2HD PHE 28 8.256 0.050 11.887 205 HE1 PHE 28 1HE PHE 28 8.931 3.949 8.965 206 HE2 PHE 28 2HE PHE 28 7.905 -0.159 9.460 207 HZ PHE 28 HZ PHE 28 8.244 1.792 7.996 208 H SER 29 H SER 29 7.587 1.358 16.010 209 HA SER 29 HA SER 29 7.923 3.287 18.082 210 HB2 SER 29 1HB SER 29 8.038 0.266 18.265 211 HB3 SER 29 2HB SER 29 7.803 1.385 19.608 212 HG SER 29 HG SER 29 5.775 1.609 19.067 213 H HIS 30 H HIS 30 9.983 0.730 16.741 214 HA HIS 30 HA HIS 30 12.239 1.789 18.298 215 HB2 HIS 30 1HB HIS 30 11.478 -0.748 18.219 216 HB3 HIS 30 2HB HIS 30 12.440 -0.753 16.744 217 HD1 HIS 30 1HD HIS 30 14.944 -0.843 16.997 218 HD2 HIS 30 2HD HIS 30 12.986 -0.160 20.597 219 HE1 HIS 30 1HE HIS 30 16.713 -1.043 18.773 220 H SER 31 H SER 31 14.088 2.506 17.320 221 HA SER 31 HA SER 31 13.920 3.649 14.785 222 HB2 SER 31 1HB SER 31 16.384 3.970 14.981 223 HB3 SER 31 2HB SER 31 15.509 4.464 16.430 224 HG SER 31 HG SER 31 17.496 2.776 16.295 225 H SER 32 H SER 32 15.517 0.648 15.810 226 HA SER 32 HA SER 32 16.752 -0.136 13.507 227 HB2 SER 32 1HB SER 32 16.881 -1.439 15.567 228 HB3 SER 32 2HB SER 32 15.185 -1.894 15.411 229 HG SER 32 HG SER 32 15.893 -2.800 13.296 230 H ASP 33 H ASP 33 13.385 -0.938 14.367 231 HA ASP 33 HA ASP 33 12.584 -2.286 12.144 232 HB2 ASP 33 1HB ASP 33 11.009 -0.188 13.651 233 HB3 ASP 33 2HB ASP 33 10.310 -1.361 12.538 234 H LEU 34 H LEU 34 12.209 1.247 12.500 235 HA LEU 34 HA LEU 34 11.344 1.888 9.995 236 HB2 LEU 34 1HB LEU 34 11.463 3.627 11.547 237 HB3 LEU 34 2HB LEU 34 13.165 3.327 11.888 238 HG LEU 34 HG LEU 34 13.710 4.197 9.620 239 HD11 LEU 34 1HD1 LEU 34 11.816 5.669 8.661 240 HD12 LEU 34 2HD1 LEU 34 10.747 4.603 9.571 241 HD13 LEU 34 3HD1 LEU 34 11.806 3.937 8.328 242 HD21 LEU 34 1HD2 LEU 34 12.598 5.737 11.859 243 HD22 LEU 34 2HD2 LEU 34 12.686 6.609 10.328 244 HD23 LEU 34 3HD2 LEU 34 14.143 5.897 11.023 245 H SER 35 H SER 35 14.718 1.443 11.003 246 HA SER 35 HA SER 35 16.007 2.137 8.663 247 HB2 SER 35 1HB SER 35 17.114 1.531 10.827 248 HB3 SER 35 2HB SER 35 16.796 -0.165 10.463 249 HG SER 35 HG SER 35 18.267 -0.127 8.898 250 H LYS 36 H LYS 36 14.774 -1.071 9.586 251 HA LYS 36 HA LYS 36 15.507 -2.397 7.223 252 HB2 LYS 36 1HB LYS 36 13.315 -2.953 9.222 253 HB3 LYS 36 2HB LYS 36 13.705 -4.038 7.894 254 HG2 LYS 36 1HG LYS 36 15.764 -4.609 8.796 255 HG3 LYS 36 2HG LYS 36 15.818 -3.178 9.828 256 HD2 LYS 36 1HD LYS 36 13.811 -4.159 11.038 257 HD3 LYS 36 2HD LYS 36 14.141 -5.654 10.160 258 HE2 LYS 36 1HE LYS 36 16.184 -4.235 11.858 259 HE3 LYS 36 2HE LYS 36 15.130 -5.509 12.470 260 HZ1 LYS 36 1HZ LYS 36 16.740 -6.878 11.804 261 HZ2 LYS 36 2HZ LYS 36 17.482 -5.710 10.832 262 HZ3 LYS 36 3HZ LYS 36 16.179 -6.607 10.231 263 H HIS 37 H HIS 37 12.513 -0.738 8.136 264 HA HIS 37 HA HIS 37 10.891 -1.376 6.012 265 HB2 HIS 37 1HB HIS 37 9.786 -0.094 7.567 266 HB3 HIS 37 2HB HIS 37 11.140 1.014 7.774 267 HD1 HIS 37 1HD HIS 37 8.375 0.255 5.297 268 HD2 HIS 37 2HD HIS 37 10.921 3.352 6.387 269 HE1 HIS 37 1HE HIS 37 7.604 2.254 3.980 270 H ARG 38 H ARG 38 13.109 1.413 6.178 271 HA ARG 38 HA ARG 38 12.787 2.609 3.801 272 HB2 ARG 38 1HB ARG 38 15.216 2.013 5.410 273 HB3 ARG 38 2HB ARG 38 15.459 2.636 3.784 274 HG2 ARG 38 1HG ARG 38 15.453 4.548 5.082 275 HG3 ARG 38 2HG ARG 38 13.796 4.477 4.480 276 HD2 ARG 38 1HD ARG 38 12.939 3.841 6.530 277 HD3 ARG 38 2HD ARG 38 14.480 3.189 7.085 278 HE ARG 38 HE ARG 38 13.536 5.847 7.425 279 HH11 ARG 38 2HH1 ARG 38 16.422 3.974 6.890 280 HH12 ARG 38 1HH1 ARG 38 17.470 5.133 7.638 281 HH21 ARG 38 2HH2 ARG 38 14.906 7.381 8.412 282 HH22 ARG 38 1HH2 ARG 38 16.607 7.070 8.504 283 H ARG 39 H ARG 39 14.563 -0.422 4.280 284 HA ARG 39 HA ARG 39 15.650 -0.890 1.842 285 HB2 ARG 39 1HB ARG 39 14.118 -2.900 3.504 286 HB3 ARG 39 2HB ARG 39 15.262 -3.299 2.229 287 HG2 ARG 39 1HG ARG 39 17.004 -2.061 3.557 288 HG3 ARG 39 2HG ARG 39 15.831 -1.993 4.873 289 HD2 ARG 39 1HD ARG 39 17.309 -3.875 5.199 290 HD3 ARG 39 2HD ARG 39 15.685 -4.453 4.832 291 HE ARG 39 HE ARG 39 17.446 -4.241 2.552 292 HH11 ARG 39 2HH1 ARG 39 16.236 -6.271 5.109 293 HH12 ARG 39 1HH1 ARG 39 16.625 -7.751 4.295 294 HH21 ARG 39 2HH2 ARG 39 17.963 -6.182 1.471 295 HH22 ARG 39 1HH2 ARG 39 17.608 -7.699 2.227 296 H THR 40 H THR 40 12.261 -1.501 2.721 297 HA THR 40 HA THR 40 11.260 -2.664 0.489 298 HB THR 40 HB THR 40 9.126 -1.497 0.891 299 HG1 THR 40 1HG THR 40 9.175 0.027 2.731 300 HG21 THR 40 1HG2 THR 40 10.700 -2.777 3.041 301 HG22 THR 40 2HG2 THR 40 9.139 -3.228 2.356 302 HG23 THR 40 3HG2 THR 40 9.238 -1.930 3.545 303 H HIS 41 H HIS 41 11.939 0.793 0.885 304 HA HIS 41 HA HIS 41 10.900 1.761 -1.486 305 HB2 HIS 41 1HB HIS 41 13.327 2.617 0.089 306 HB3 HIS 41 2HB HIS 41 12.742 3.510 -1.311 307 HD1 HIS 41 1HD HIS 41 9.778 3.619 -0.852 308 HD2 HIS 41 2HD HIS 41 12.539 4.082 2.218 309 HE1 HIS 41 1HE HIS 41 8.567 4.876 0.957 310 H THR 42 H THR 42 14.301 0.823 -0.944 311 HA THR 42 HA THR 42 15.179 1.041 -3.560 312 HB THR 42 HB THR 42 16.975 -0.533 -2.968 313 HG1 THR 42 1HG THR 42 16.851 -1.322 -0.695 314 HG21 THR 42 1HG2 THR 42 16.209 1.555 -0.942 315 HG22 THR 42 2HG2 THR 42 17.389 1.672 -2.247 316 HG23 THR 42 3HG2 THR 42 17.727 0.664 -0.840 317 H GLY 43 H GLY 43 13.832 -1.818 -1.921 318 HA2 GLY 43 1HA GLY 43 13.962 -3.431 -4.299 319 HA3 GLY 43 2HA GLY 43 13.188 -3.866 -2.782 320 H GLU 44 H GLU 44 11.018 -3.729 -2.610 321 HA GLU 44 HA GLU 44 9.380 -3.702 -4.810 322 HB2 GLU 44 1HB GLU 44 8.938 -4.234 -2.252 323 HB3 GLU 44 2HB GLU 44 8.290 -2.600 -2.261 324 HG2 GLU 44 1HG GLU 44 6.550 -4.269 -2.614 325 HG3 GLU 44 2HG GLU 44 6.720 -3.198 -4.004 326 H LYS 45 H LYS 45 7.617 -2.126 -5.332 327 HA LYS 45 HA LYS 45 8.420 0.142 -6.475 328 HB2 LYS 45 1HB LYS 45 5.834 -0.398 -5.034 329 HB3 LYS 45 2HB LYS 45 6.104 1.115 -5.890 330 HG2 LYS 45 1HG LYS 45 4.932 -0.316 -7.362 331 HG3 LYS 45 2HG LYS 45 6.598 -0.244 -7.939 332 HD2 LYS 45 1HD LYS 45 7.072 -2.404 -7.225 333 HD3 LYS 45 2HD LYS 45 5.735 -2.420 -6.072 334 HE2 LYS 45 1HE LYS 45 4.132 -2.664 -7.800 335 HE3 LYS 45 2HE LYS 45 5.321 -2.298 -9.050 336 HZ1 LYS 45 1HZ LYS 45 5.076 -4.599 -9.117 337 HZ2 LYS 45 2HZ LYS 45 5.057 -4.757 -7.433 338 HZ3 LYS 45 3HZ LYS 45 6.500 -4.379 -8.230 339 HA PRO 46 HA PRO 46 9.999 2.802 -3.315 340 HB2 PRO 46 1HB PRO 46 10.178 5.059 -4.813 341 HB3 PRO 46 2HB PRO 46 11.314 3.713 -4.965 342 HG2 PRO 46 1HG PRO 46 8.942 4.391 -6.661 343 HG3 PRO 46 2HG PRO 46 10.557 3.854 -7.159 344 HD2 PRO 46 1HD PRO 46 8.434 2.177 -7.050 345 HD3 PRO 46 2HD PRO 46 10.094 1.639 -6.722 346 H TYR 47 H TYR 47 6.927 2.859 -4.563 347 HA TYR 47 HA TYR 47 6.127 4.981 -2.695 348 HB2 TYR 47 1HB TYR 47 4.918 4.585 -5.438 349 HB3 TYR 47 2HB TYR 47 4.480 5.823 -4.266 350 HD1 TYR 47 2HD TYR 47 6.117 7.637 -3.732 351 HD2 TYR 47 1HD TYR 47 6.757 4.880 -6.908 352 HE1 TYR 47 2HE TYR 47 7.787 9.156 -4.706 353 HE2 TYR 47 1HE TYR 47 8.430 6.391 -7.891 354 HH TYR 47 HH TYR 47 8.710 9.332 -7.496 355 H LYS 48 H LYS 48 4.195 4.657 -1.625 356 HA LYS 48 HA LYS 48 2.379 2.561 -2.294 357 HB2 LYS 48 1HB LYS 48 4.464 1.446 -1.190 358 HB3 LYS 48 2HB LYS 48 3.803 2.095 0.305 359 HG2 LYS 48 1HG LYS 48 1.605 0.922 -0.596 360 HG3 LYS 48 2HG LYS 48 2.791 -0.079 -1.436 361 HD2 LYS 48 1HD LYS 48 3.762 -0.807 0.574 362 HD3 LYS 48 2HD LYS 48 2.998 0.481 1.508 363 HE2 LYS 48 1HE LYS 48 1.756 -1.421 2.046 364 HE3 LYS 48 2HE LYS 48 0.779 -0.604 0.826 365 HZ1 LYS 48 1HZ LYS 48 1.967 -2.122 -0.816 366 HZ2 LYS 48 2HZ LYS 48 0.789 -2.822 0.175 367 HZ3 LYS 48 3HZ LYS 48 2.429 -3.036 0.531 368 H CYS 49 H CYS 49 0.475 2.644 -1.089 369 HA CYS 49 HA CYS 49 0.247 5.012 0.639 370 HB2 CYS 49 1HB CYS 49 -1.220 5.200 -1.226 371 HB3 CYS 49 2HB CYS 49 -1.772 3.538 -1.049 372 H ASP 50 H ASP 50 -1.121 4.891 2.519 373 HA ASP 50 HA ASP 50 -0.986 2.249 3.784 374 HB2 ASP 50 1HB ASP 50 -1.208 3.449 5.909 375 HB3 ASP 50 2HB ASP 50 0.130 4.095 4.961 376 H GLU 51 H GLU 51 -3.215 4.962 3.275 377 HA GLU 51 HA GLU 51 -5.448 4.146 4.590 378 HB2 GLU 51 1HB GLU 51 -5.280 5.364 1.831 379 HB3 GLU 51 2HB GLU 51 -6.770 5.226 2.753 380 HG2 GLU 51 1HG GLU 51 -4.358 6.653 3.820 381 HG3 GLU 51 2HG GLU 51 -5.565 7.455 2.817 382 H CYS 52 H CYS 52 -4.775 3.286 1.191 383 HA CYS 52 HA CYS 52 -6.717 1.123 1.356 384 HB2 CYS 52 1HB CYS 52 -6.301 0.878 -1.071 385 HB3 CYS 52 2HB CYS 52 -6.771 2.518 -0.635 386 H GLY 53 H GLY 53 -3.265 1.550 0.607 387 HA2 GLY 53 1HA GLY 53 -1.591 0.065 1.431 388 HA3 GLY 53 2HA GLY 53 -2.811 -1.195 1.548 389 H LYS 54 H LYS 54 -1.867 0.944 -1.134 390 HA LYS 54 HA LYS 54 -1.249 -1.470 -2.707 391 HB2 LYS 54 1HB LYS 54 -3.380 -0.362 -3.388 392 HB3 LYS 54 2HB LYS 54 -2.463 1.091 -3.760 393 HG2 LYS 54 1HG LYS 54 -1.176 -0.182 -5.432 394 HG3 LYS 54 2HG LYS 54 -2.178 -1.595 -5.092 395 HD2 LYS 54 1HD LYS 54 -4.012 -0.715 -6.136 396 HD3 LYS 54 2HD LYS 54 -3.550 0.951 -5.781 397 HE2 LYS 54 1HE LYS 54 -1.717 0.728 -7.451 398 HE3 LYS 54 2HE LYS 54 -2.347 -0.866 -7.865 399 HZ1 LYS 54 1HZ LYS 54 -4.307 0.060 -8.713 400 HZ2 LYS 54 2HZ LYS 54 -3.075 1.053 -9.310 401 HZ3 LYS 54 3HZ LYS 54 -4.020 1.570 -8.006 402 H ALA 55 H ALA 55 0.268 -1.112 -4.497 403 HA ALA 55 HA ALA 55 2.235 0.976 -3.818 404 HB1 ALA 55 1HB ALA 55 2.511 -1.876 -4.432 405 HB2 ALA 55 2HB ALA 55 3.650 -0.830 -5.282 406 HB3 ALA 55 3HB ALA 55 3.571 -0.800 -3.520 407 H PHE 56 H PHE 56 3.345 2.021 -5.527 408 HA PHE 56 HA PHE 56 2.226 1.678 -8.213 409 HB2 PHE 56 1HB PHE 56 2.586 4.419 -7.008 410 HB3 PHE 56 2HB PHE 56 1.757 3.988 -8.500 411 HD1 PHE 56 2HD PHE 56 1.545 3.992 -4.837 412 HD2 PHE 56 1HD PHE 56 -0.501 3.207 -8.486 413 HE1 PHE 56 2HE PHE 56 -0.587 3.880 -3.614 414 HE2 PHE 56 1HE PHE 56 -2.636 3.094 -7.269 415 HZ PHE 56 HZ PHE 56 -2.681 3.430 -4.829 416 H ILE 57 H ILE 57 3.706 1.803 -9.794 417 HA ILE 57 HA ILE 57 6.467 1.959 -9.128 418 HB ILE 57 HB ILE 57 5.127 1.950 -11.834 419 HG12 ILE 57 1HG1 ILE 57 6.245 -0.466 -11.646 420 HG13 ILE 57 2HG1 ILE 57 6.008 -0.164 -9.928 421 HG21 ILE 57 1HG2 ILE 57 7.939 2.159 -11.015 422 HG22 ILE 57 2HG2 ILE 57 7.606 0.935 -12.239 423 HG23 ILE 57 3HG2 ILE 57 7.159 2.616 -12.528 424 HD11 ILE 57 1HD1 ILE 57 3.841 -0.601 -10.071 425 HD12 ILE 57 2HD1 ILE 57 3.642 0.467 -11.462 426 HD13 ILE 57 3HD1 ILE 57 4.162 -1.202 -11.698 427 H GLN 58 H GLN 58 4.404 4.035 -11.169 428 HA GLN 58 HA GLN 58 6.432 6.083 -11.282 429 HB2 GLN 58 1HB GLN 58 5.128 5.836 -13.250 430 HB3 GLN 58 2HB GLN 58 3.620 5.884 -12.346 431 HG2 GLN 58 1HG GLN 58 3.746 7.967 -13.369 432 HG3 GLN 58 2HG GLN 58 4.273 8.264 -11.713 433 HE21 GLN 58 1HE2 GLN 58 4.914 8.946 -14.839 434 HE22 GLN 58 2HE2 GLN 58 6.593 9.333 -14.724 435 H ARG 59 H ARG 59 6.343 8.124 -10.354 436 HA ARG 59 HA ARG 59 5.243 8.285 -7.769 437 HB2 ARG 59 1HB ARG 59 7.224 9.588 -8.925 438 HB3 ARG 59 2HB ARG 59 5.961 10.759 -9.283 439 HG2 ARG 59 1HG ARG 59 6.320 9.758 -6.493 440 HG3 ARG 59 2HG ARG 59 7.382 11.013 -7.134 441 HD2 ARG 59 1HD ARG 59 5.228 12.222 -7.811 442 HD3 ARG 59 2HD ARG 59 4.409 11.093 -6.732 443 HE ARG 59 HE ARG 59 5.199 12.293 -4.959 444 HH11 ARG 59 2HH1 ARG 59 7.103 13.063 -7.769 445 HH12 ARG 59 1HH1 ARG 59 7.997 14.320 -6.980 446 HH21 ARG 59 2HH2 ARG 59 6.369 13.945 -3.909 447 HH22 ARG 59 1HH2 ARG 59 7.579 14.821 -4.784 448 H SER 60 H SER 60 4.307 9.916 -10.792 449 HA SER 60 HA SER 60 2.190 11.418 -9.860 450 HB2 SER 60 1HB SER 60 2.358 9.990 -12.526 451 HB3 SER 60 2HB SER 60 1.311 11.360 -12.152 452 HG SER 60 HG SER 60 2.931 12.606 -12.585 453 H HIS 61 H HIS 61 2.095 8.077 -11.081 454 HA HIS 61 HA HIS 61 -0.547 7.489 -10.979 455 HB2 HIS 61 1HB HIS 61 1.702 5.739 -9.963 456 HB3 HIS 61 2HB HIS 61 0.085 5.170 -10.368 457 HD1 HIS 61 1HD HIS 61 1.860 3.688 -11.976 458 HD2 HIS 61 2HD HIS 61 0.973 7.602 -13.050 459 HE1 HIS 61 1HE HIS 61 2.440 3.864 -14.417 460 H LEU 62 H LEU 62 1.546 8.094 -8.265 461 HA LEU 62 HA LEU 62 -0.411 7.174 -6.330 462 HB2 LEU 62 1HB LEU 62 1.850 6.760 -5.754 463 HB3 LEU 62 2HB LEU 62 2.312 8.427 -6.094 464 HG LEU 62 HG LEU 62 0.820 9.066 -4.125 465 HD11 LEU 62 1HD1 LEU 62 0.343 7.381 -2.493 466 HD12 LEU 62 2HD1 LEU 62 1.155 6.148 -3.456 467 HD13 LEU 62 3HD1 LEU 62 -0.346 6.871 -4.034 468 HD21 LEU 62 1HD2 LEU 62 3.012 9.368 -3.611 469 HD22 LEU 62 2HD2 LEU 62 3.461 7.721 -4.057 470 HD23 LEU 62 3HD2 LEU 62 2.665 8.032 -2.513 471 H ILE 63 H ILE 63 1.111 10.257 -7.245 472 HA ILE 63 HA ILE 63 -0.100 11.990 -5.520 473 HB ILE 63 HB ILE 63 0.304 12.501 -8.469 474 HG12 ILE 63 1HG1 ILE 63 2.176 12.940 -6.132 475 HG13 ILE 63 2HG1 ILE 63 2.349 11.693 -7.362 476 HG21 ILE 63 1HG2 ILE 63 0.096 14.756 -8.061 477 HG22 ILE 63 2HG2 ILE 63 -1.106 14.093 -6.956 478 HG23 ILE 63 3HG2 ILE 63 0.472 14.590 -6.346 479 HD11 ILE 63 1HD1 ILE 63 2.996 13.194 -8.979 480 HD12 ILE 63 2HD1 ILE 63 2.233 14.561 -8.166 481 HD13 ILE 63 3HD1 ILE 63 3.728 13.877 -7.527 482 H GLY 64 H GLY 64 -1.469 10.736 -8.550 483 HA2 GLY 64 1HA GLY 64 -3.915 12.184 -8.316 484 HA3 GLY 64 2HA GLY 64 -3.607 10.834 -9.398 485 H HIS 65 H HIS 65 -3.157 8.731 -7.842 486 HA HIS 65 HA HIS 65 -5.600 7.788 -7.082 487 HB2 HIS 65 1HB HIS 65 -4.025 6.114 -7.163 488 HB3 HIS 65 2HB HIS 65 -2.809 7.069 -6.319 489 HD1 HIS 65 1HD HIS 65 -5.800 4.884 -5.681 490 HD2 HIS 65 2HD HIS 65 -2.754 6.757 -3.566 491 HE1 HIS 65 1HE HIS 65 -5.926 3.948 -3.351 492 H HIS 66 H HIS 66 -3.192 9.270 -4.918 493 HA HIS 66 HA HIS 66 -4.250 9.097 -2.480 494 HB2 HIS 66 1HB HIS 66 -2.979 11.402 -3.886 495 HB3 HIS 66 2HB HIS 66 -3.674 11.682 -2.293 496 HD1 HIS 66 1HD HIS 66 -0.535 11.248 -3.544 497 HD2 HIS 66 2HD HIS 66 -2.641 9.151 -0.640 498 HE1 HIS 66 1HE HIS 66 1.211 10.102 -2.144 499 H ARG 67 H ARG 67 -5.628 10.970 -5.103 500 HA ARG 67 HA ARG 67 -7.429 12.600 -3.887 501 HB2 ARG 67 1HB ARG 67 -7.518 11.013 -6.410 502 HB3 ARG 67 2HB ARG 67 -8.996 11.804 -5.878 503 HG2 ARG 67 1HG ARG 67 -7.489 13.909 -5.678 504 HG3 ARG 67 2HG ARG 67 -6.412 13.013 -6.752 505 HD2 ARG 67 1HD ARG 67 -8.663 12.652 -8.099 506 HD3 ARG 67 2HD ARG 67 -9.115 14.138 -7.265 507 HE ARG 67 HE ARG 67 -6.552 14.218 -8.596 508 HH11 ARG 67 2HH1 ARG 67 -9.975 14.806 -8.844 509 HH12 ARG 67 1HH1 ARG 67 -9.818 15.938 -10.147 510 HH21 ARG 67 2HH2 ARG 67 -6.333 15.706 -10.311 511 HH22 ARG 67 1HH2 ARG 67 -7.746 16.448 -10.981 512 H VAL 68 H VAL 68 -8.018 9.175 -4.683 513 HA VAL 68 HA VAL 68 -10.523 8.734 -3.846 514 HB VAL 68 HB VAL 68 -9.919 6.504 -3.139 515 HG11 VAL 68 1HG1 VAL 68 -8.998 5.734 -5.135 516 HG12 VAL 68 2HG1 VAL 68 -9.704 7.288 -5.583 517 HG13 VAL 68 3HG1 VAL 68 -7.965 7.151 -5.318 518 HG21 VAL 68 1HG2 VAL 68 -7.554 5.841 -2.896 519 HG22 VAL 68 2HG2 VAL 68 -7.083 7.532 -3.061 520 HG23 VAL 68 3HG2 VAL 68 -8.056 7.018 -1.683 521 H HIS 69 H HIS 69 -7.774 9.322 -1.721 522 HA HIS 69 HA HIS 69 -9.533 9.170 0.620 523 HB2 HIS 69 1HB HIS 69 -6.544 9.562 0.660 524 HB3 HIS 69 2HB HIS 69 -7.582 8.981 1.958 525 HD1 HIS 69 1HD HIS 69 -8.962 6.631 1.000 526 HD2 HIS 69 2HD HIS 69 -5.128 7.506 -0.341 527 HE1 HIS 69 1HE HIS 69 -8.031 4.452 0.158 528 H THR 70 H THR 70 -9.000 10.846 2.363 529 HA THR 70 HA THR 70 -9.218 13.474 1.121 530 HB THR 70 HB THR 70 -10.894 12.910 2.795 531 HG1 THR 70 1HG THR 70 -9.030 14.951 3.399 532 HG21 THR 70 1HG2 THR 70 -10.151 12.761 5.208 533 HG22 THR 70 2HG2 THR 70 -8.510 12.536 4.601 534 HG23 THR 70 3HG2 THR 70 -9.766 11.363 4.204 535 H GLY 71 H GLY 71 -7.066 11.631 3.173 536 HA2 GLY 71 1HA GLY 71 -4.798 12.029 3.525 537 HA3 GLY 71 2HA GLY 71 -4.980 13.598 2.754 538 H SER 72 H SER 72 -3.967 12.373 5.480 539 HA SER 72 HA SER 72 -5.159 14.503 7.134 540 HB2 SER 72 1HB SER 72 -5.125 13.107 9.041 541 HB3 SER 72 2HB SER 72 -5.751 12.082 7.750 542 HG SER 72 HG SER 72 -3.045 12.164 8.606 543 H GLY 73 H GLY 73 -3.683 14.999 9.084 544 HA2 GLY 73 1HA GLY 73 -1.420 15.119 9.916 545 HA3 GLY 73 2HA GLY 73 -0.853 14.902 8.267 546 HA PRO 74 HA PRO 74 -0.685 19.425 9.367 547 HB2 PRO 74 1HB PRO 74 1.891 19.778 8.587 548 HB3 PRO 74 2HB PRO 74 1.443 19.253 10.214 549 HG2 PRO 74 1HG PRO 74 2.379 17.618 7.888 550 HG3 PRO 74 2HG PRO 74 2.843 17.503 9.596 551 HD2 PRO 74 1HD PRO 74 1.049 15.824 8.458 552 HD3 PRO 74 2HD PRO 74 0.950 16.316 10.161 553 H SER 75 H SER 75 -0.707 17.496 6.680 554 HA SER 75 HA SER 75 0.107 19.313 4.653 555 HB2 SER 75 1HB SER 75 0.065 16.964 4.142 556 HB3 SER 75 2HB SER 75 -1.643 16.847 4.568 557 HG SER 75 HG SER 75 -1.000 18.697 2.608 558 H SER 76 H SER 76 -3.038 18.460 6.044 559 HA SER 76 HA SER 76 -4.411 20.389 4.372 560 HB2 SER 76 1HB SER 76 -5.248 18.336 6.382 561 HB3 SER 76 2HB SER 76 -6.360 19.647 5.991 562 HG SER 76 HG SER 76 -6.858 18.455 4.339 563 H GLY 77 H GLY 77 -5.292 22.316 5.029 564 HA2 GLY 77 1HA GLY 77 -4.810 23.142 7.814 565 HA3 GLY 77 2HA GLY 77 -4.232 24.149 6.494 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -19.000 21.127 -1.555 2 HA2 GLY 1 1HA GLY 1 -18.742 21.808 1.281 3 HA3 GLY 1 2HA GLY 1 -20.339 21.930 0.557 4 H SER 2 H SER 2 -18.129 19.900 2.087 5 HA SER 2 HA SER 2 -19.342 17.443 1.085 6 HB2 SER 2 1HB SER 2 -16.844 17.682 1.474 7 HB3 SER 2 2HB SER 2 -17.199 17.690 3.201 8 HG SER 2 HG SER 2 -16.681 15.590 2.195 9 H SER 3 H SER 3 -21.145 16.734 1.992 10 HA SER 3 HA SER 3 -21.501 17.104 4.893 11 HB2 SER 3 1HB SER 3 -22.998 18.564 3.477 12 HB3 SER 3 2HB SER 3 -23.745 17.087 2.867 13 HG SER 3 HG SER 3 -24.182 16.584 5.126 14 H GLY 4 H GLY 4 -21.471 15.220 5.914 15 HA2 GLY 4 1HA GLY 4 -22.939 13.138 6.070 16 HA3 GLY 4 2HA GLY 4 -22.347 12.816 4.447 17 H SER 5 H SER 5 -21.135 13.506 7.723 18 HA SER 5 HA SER 5 -18.541 12.653 7.455 19 HB2 SER 5 1HB SER 5 -20.430 12.414 9.798 20 HB3 SER 5 2HB SER 5 -18.723 11.986 9.908 21 HG SER 5 HG SER 5 -18.803 14.084 10.499 22 H SER 6 H SER 6 -21.184 10.601 8.699 23 HA SER 6 HA SER 6 -21.589 8.368 8.504 24 HB2 SER 6 1HB SER 6 -20.952 8.926 6.041 25 HB3 SER 6 2HB SER 6 -19.434 8.115 6.425 26 HG SER 6 HG SER 6 -20.777 6.553 5.657 27 H GLY 7 H GLY 7 -19.852 9.251 10.481 28 HA2 GLY 7 1HA GLY 7 -18.669 6.880 11.349 29 HA3 GLY 7 2HA GLY 7 -17.407 7.830 10.580 30 H ARG 8 H ARG 8 -18.880 7.163 13.462 31 HA ARG 8 HA ARG 8 -18.489 9.811 14.618 32 HB2 ARG 8 1HB ARG 8 -19.734 7.257 15.573 33 HB3 ARG 8 2HB ARG 8 -19.253 8.484 16.737 34 HG2 ARG 8 1HG ARG 8 -20.913 9.332 14.427 35 HG3 ARG 8 2HG ARG 8 -21.683 8.404 15.717 36 HD2 ARG 8 1HD ARG 8 -21.409 10.064 17.261 37 HD3 ARG 8 2HD ARG 8 -19.951 10.687 16.492 38 HE ARG 8 HE ARG 8 -21.850 11.300 14.695 39 HH11 ARG 8 2HH1 ARG 8 -21.642 11.782 18.136 40 HH12 ARG 8 1HH1 ARG 8 -22.599 13.226 18.124 41 HH21 ARG 8 2HH2 ARG 8 -23.112 13.200 14.665 42 HH22 ARG 8 1HH2 ARG 8 -23.436 14.031 16.149 43 H SER 9 H SER 9 -16.144 8.634 13.676 44 HA SER 9 HA SER 9 -14.698 8.226 16.202 45 HB2 SER 9 1HB SER 9 -14.579 6.549 13.714 46 HB3 SER 9 2HB SER 9 -13.164 6.682 14.758 47 HG SER 9 HG SER 9 -15.750 5.860 15.596 48 H GLU 10 H GLU 10 -13.056 9.589 16.452 49 HA GLU 10 HA GLU 10 -12.379 11.442 14.373 50 HB2 GLU 10 1HB GLU 10 -10.788 12.358 16.044 51 HB3 GLU 10 2HB GLU 10 -12.430 12.218 16.657 52 HG2 GLU 10 1HG GLU 10 -10.489 10.011 17.147 53 HG3 GLU 10 2HG GLU 10 -10.406 11.480 18.117 54 H TRP 11 H TRP 11 -10.695 11.422 13.011 55 HA TRP 11 HA TRP 11 -8.964 9.077 13.029 56 HB2 TRP 11 1HB TRP 11 -9.850 11.045 11.001 57 HB3 TRP 11 2HB TRP 11 -8.215 10.418 10.806 58 HD1 TRP 11 HD TRP 11 -11.560 9.703 9.674 59 HE1 TRP 11 1HE TRP 11 -11.820 7.254 8.926 60 HE3 TRP 11 3HE TRP 11 -7.324 7.757 11.774 61 HZ2 TRP 11 2HZ TRP 11 -10.417 4.819 9.192 62 HZ3 TRP 11 3HZ TRP 11 -6.857 5.360 11.481 63 HH2 TRP 11 HH TRP 11 -8.372 3.923 10.217 64 H GLN 12 H GLN 12 -6.842 9.108 13.493 65 HA GLN 12 HA GLN 12 -5.509 11.711 13.777 66 HB2 GLN 12 1HB GLN 12 -6.323 10.542 15.975 67 HB3 GLN 12 2HB GLN 12 -4.927 9.504 15.717 68 HG2 GLN 12 1HG GLN 12 -3.968 11.080 17.027 69 HG3 GLN 12 2HG GLN 12 -3.701 11.830 15.454 70 HE21 GLN 12 1HE2 GLN 12 -5.376 13.378 14.745 71 HE22 GLN 12 2HE2 GLN 12 -6.102 14.392 15.940 72 H GLN 13 H GLN 13 -5.314 10.027 11.560 73 HA GLN 13 HA GLN 13 -3.007 8.345 11.756 74 HB2 GLN 13 1HB GLN 13 -4.899 8.101 10.085 75 HB3 GLN 13 2HB GLN 13 -4.209 9.474 9.230 76 HG2 GLN 13 1HG GLN 13 -3.328 7.674 8.095 77 HG3 GLN 13 2HG GLN 13 -2.036 8.088 9.222 78 HE21 GLN 13 1HE2 GLN 13 -1.225 6.503 10.394 79 HE22 GLN 13 2HE2 GLN 13 -1.969 4.971 10.682 80 H ARG 14 H ARG 14 -3.636 11.626 10.613 81 HA ARG 14 HA ARG 14 -1.278 12.253 9.366 82 HB2 ARG 14 1HB ARG 14 -3.097 13.835 9.461 83 HB3 ARG 14 2HB ARG 14 -2.947 13.969 11.208 84 HG2 ARG 14 1HG ARG 14 -1.977 15.913 10.275 85 HG3 ARG 14 2HG ARG 14 -0.649 14.900 10.844 86 HD2 ARG 14 1HD ARG 14 0.159 15.431 8.782 87 HD3 ARG 14 2HD ARG 14 -0.770 13.994 8.358 88 HE ARG 14 HE ARG 14 -2.265 15.322 7.216 89 HH11 ARG 14 2HH1 ARG 14 -0.110 17.306 9.097 90 HH12 ARG 14 1HH1 ARG 14 -0.614 18.787 8.352 91 HH21 ARG 14 2HH2 ARG 14 -2.937 17.265 6.228 92 HH22 ARG 14 1HH2 ARG 14 -2.223 18.763 6.721 93 H GLU 15 H GLU 15 -1.936 12.321 12.854 94 HA GLU 15 HA GLU 15 0.289 13.420 13.906 95 HB2 GLU 15 1HB GLU 15 -1.460 12.509 15.311 96 HB3 GLU 15 2HB GLU 15 -1.055 10.872 14.815 97 HG2 GLU 15 1HG GLU 15 1.025 12.553 16.124 98 HG3 GLU 15 2HG GLU 15 -0.239 11.812 17.105 99 H ARG 16 H ARG 16 2.420 13.015 14.064 100 HA ARG 16 HA ARG 16 3.407 10.469 12.953 101 HB2 ARG 16 1HB ARG 16 4.491 13.264 12.628 102 HB3 ARG 16 2HB ARG 16 5.456 11.834 12.290 103 HG2 ARG 16 1HG ARG 16 4.232 11.276 10.430 104 HG3 ARG 16 2HG ARG 16 2.791 12.126 10.993 105 HD2 ARG 16 1HD ARG 16 5.340 13.392 9.995 106 HD3 ARG 16 2HD ARG 16 3.811 13.300 9.122 107 HE ARG 16 HE ARG 16 3.187 14.571 11.453 108 HH11 ARG 16 2HH1 ARG 16 5.481 15.115 8.892 109 HH12 ARG 16 1HH1 ARG 16 5.477 16.838 9.078 110 HH21 ARG 16 2HH2 ARG 16 3.173 16.838 11.708 111 HH22 ARG 16 1HH2 ARG 16 4.165 17.817 10.680 112 H ARG 17 H ARG 17 4.902 9.370 14.105 113 HA ARG 17 HA ARG 17 5.446 10.294 16.798 114 HB2 ARG 17 1HB ARG 17 4.844 7.865 15.941 115 HB3 ARG 17 2HB ARG 17 6.583 7.758 15.708 116 HG2 ARG 17 1HG ARG 17 7.028 7.953 17.977 117 HG3 ARG 17 2HG ARG 17 5.447 8.657 18.324 118 HD2 ARG 17 1HD ARG 17 4.405 6.486 17.744 119 HD3 ARG 17 2HD ARG 17 6.017 5.804 17.532 120 HE ARG 17 HE ARG 17 5.948 6.910 20.069 121 HH11 ARG 17 2HH1 ARG 17 4.301 4.396 18.313 122 HH12 ARG 17 1HH1 ARG 17 3.994 3.434 19.720 123 HH21 ARG 17 2HH2 ARG 17 5.550 5.652 21.930 124 HH22 ARG 17 1HH2 ARG 17 4.704 4.150 21.777 125 H ARG 18 H ARG 18 7.732 9.798 17.656 126 HA ARG 18 HA ARG 18 9.555 11.575 16.876 127 HB2 ARG 18 1HB ARG 18 9.668 9.699 18.706 128 HB3 ARG 18 2HB ARG 18 10.600 8.837 17.489 129 HG2 ARG 18 1HG ARG 18 12.210 9.902 18.778 130 HG3 ARG 18 2HG ARG 18 12.038 10.954 17.371 131 HD2 ARG 18 1HD ARG 18 10.342 11.478 19.760 132 HD3 ARG 18 2HD ARG 18 12.047 11.922 19.826 133 HE ARG 18 HE ARG 18 11.247 13.015 17.499 134 HH11 ARG 18 2HH1 ARG 18 9.950 13.133 20.728 135 HH12 ARG 18 1HH1 ARG 18 9.273 14.716 20.538 136 HH21 ARG 18 2HH2 ARG 18 10.360 15.100 17.238 137 HH22 ARG 18 1HH2 ARG 18 9.506 15.834 18.552 138 H TYR 19 H TYR 19 9.679 8.224 15.648 139 HA TYR 19 HA TYR 19 10.835 9.284 13.156 140 HB2 TYR 19 1HB TYR 19 11.658 6.757 14.602 141 HB3 TYR 19 2HB TYR 19 12.250 7.259 13.022 142 HD1 TYR 19 2HD TYR 19 12.281 8.044 16.625 143 HD2 TYR 19 1HD TYR 19 13.947 8.929 12.811 144 HE1 TYR 19 2HE TYR 19 14.076 9.327 17.713 145 HE2 TYR 19 1HE TYR 19 15.746 10.213 13.888 146 HH TYR 19 HH TYR 19 15.651 11.333 16.911 147 H LYS 20 H LYS 20 9.083 9.127 11.857 148 HA LYS 20 HA LYS 20 7.780 6.491 11.656 149 HB2 LYS 20 1HB LYS 20 6.331 8.414 12.379 150 HB3 LYS 20 2HB LYS 20 6.628 9.153 10.811 151 HG2 LYS 20 1HG LYS 20 5.547 7.317 9.688 152 HG3 LYS 20 2HG LYS 20 5.353 6.455 11.217 153 HD2 LYS 20 1HD LYS 20 3.734 7.945 11.989 154 HD3 LYS 20 2HD LYS 20 4.205 9.200 10.840 155 HE2 LYS 20 1HE LYS 20 3.121 6.586 9.867 156 HE3 LYS 20 2HE LYS 20 2.026 7.843 10.440 157 HZ1 LYS 20 1HZ LYS 20 3.286 9.344 8.826 158 HZ2 LYS 20 2HZ LYS 20 2.198 8.227 8.171 159 HZ3 LYS 20 3HZ LYS 20 3.860 7.913 8.127 160 H CYS 21 H CYS 21 7.170 5.764 9.537 161 HA CYS 21 HA CYS 21 9.024 6.722 7.473 162 HB2 CYS 21 1HB CYS 21 8.967 4.271 8.257 163 HB3 CYS 21 2HB CYS 21 7.456 4.154 7.361 164 H ASP 22 H ASP 22 7.616 8.541 7.004 165 HA ASP 22 HA ASP 22 5.023 8.652 6.317 166 HB2 ASP 22 1HB ASP 22 7.434 9.956 5.132 167 HB3 ASP 22 2HB ASP 22 5.883 10.175 4.327 168 H GLU 23 H GLU 23 7.534 7.051 4.485 169 HA GLU 23 HA GLU 23 6.368 6.709 2.023 170 HB2 GLU 23 1HB GLU 23 8.122 4.914 3.673 171 HB3 GLU 23 2HB GLU 23 7.538 4.392 2.099 172 HG2 GLU 23 1HG GLU 23 9.242 6.798 2.689 173 HG3 GLU 23 2HG GLU 23 9.732 5.321 1.861 174 H CYS 24 H CYS 24 5.996 4.529 4.822 175 HA CYS 24 HA CYS 24 3.556 3.469 3.563 176 HB2 CYS 24 1HB CYS 24 3.931 1.578 5.289 177 HB3 CYS 24 2HB CYS 24 4.976 1.639 3.874 178 H GLY 25 H GLY 25 4.938 4.416 6.701 179 HA2 GLY 25 1HA GLY 25 3.526 6.001 7.998 180 HA3 GLY 25 2HA GLY 25 2.179 4.934 7.629 181 H LYS 26 H LYS 26 5.392 3.817 8.490 182 HA LYS 26 HA LYS 26 4.241 2.615 10.913 183 HB2 LYS 26 1HB LYS 26 5.466 1.303 8.964 184 HB3 LYS 26 2HB LYS 26 6.906 1.801 9.841 185 HG2 LYS 26 1HG LYS 26 6.150 0.675 11.826 186 HG3 LYS 26 2HG LYS 26 4.607 0.288 11.061 187 HD2 LYS 26 1HD LYS 26 6.131 -0.861 9.267 188 HD3 LYS 26 2HD LYS 26 7.316 -0.872 10.576 189 HE2 LYS 26 1HE LYS 26 4.522 -1.921 10.930 190 HE3 LYS 26 2HE LYS 26 5.832 -2.931 10.322 191 HZ1 LYS 26 1HZ LYS 26 5.227 -2.292 12.978 192 HZ2 LYS 26 2HZ LYS 26 6.734 -1.614 12.619 193 HZ3 LYS 26 3HZ LYS 26 6.478 -3.272 12.396 194 H SER 27 H SER 27 5.448 2.624 12.872 195 HA SER 27 HA SER 27 7.503 4.730 13.023 196 HB2 SER 27 1HB SER 27 6.596 5.449 15.164 197 HB3 SER 27 2HB SER 27 5.330 5.514 13.939 198 HG SER 27 HG SER 27 4.241 4.257 15.206 199 H PHE 28 H PHE 28 9.264 4.322 14.278 200 HA PHE 28 HA PHE 28 9.333 1.729 15.675 201 HB2 PHE 28 1HB PHE 28 11.636 3.013 14.193 202 HB3 PHE 28 2HB PHE 28 11.641 1.439 14.982 203 HD1 PHE 28 1HD PHE 28 9.861 3.332 12.315 204 HD2 PHE 28 2HD PHE 28 11.206 -0.449 13.733 205 HE1 PHE 28 1HE PHE 28 9.121 2.286 10.215 206 HE2 PHE 28 2HE PHE 28 10.469 -1.502 11.635 207 HZ PHE 28 HZ PHE 28 9.426 -0.134 9.872 208 H SER 29 H SER 29 10.433 1.629 17.617 209 HA SER 29 HA SER 29 10.478 3.958 19.186 210 HB2 SER 29 1HB SER 29 11.878 1.324 19.707 211 HB3 SER 29 2HB SER 29 11.523 2.563 20.911 212 HG SER 29 HG SER 29 9.883 0.659 19.810 213 H HIS 30 H HIS 30 13.070 2.166 17.578 214 HA HIS 30 HA HIS 30 14.924 4.352 18.256 215 HB2 HIS 30 1HB HIS 30 15.334 1.799 18.859 216 HB3 HIS 30 2HB HIS 30 15.913 1.743 17.197 217 HD1 HIS 30 1HD HIS 30 18.054 3.129 16.643 218 HD2 HIS 30 2HD HIS 30 16.997 3.103 20.661 219 HE1 HIS 30 1HE HIS 30 20.066 4.003 17.874 220 H SER 31 H SER 31 15.859 5.515 16.673 221 HA SER 31 HA SER 31 14.781 5.567 14.100 222 HB2 SER 31 1HB SER 31 16.672 7.074 13.542 223 HB3 SER 31 2HB SER 31 15.899 7.507 15.066 224 HG SER 31 HG SER 31 18.397 7.185 14.772 225 H SER 32 H SER 32 17.998 4.409 15.114 226 HA SER 32 HA SER 32 19.094 3.550 12.821 227 HB2 SER 32 1HB SER 32 18.997 2.015 15.427 228 HB3 SER 32 2HB SER 32 20.093 1.639 14.098 229 HG SER 32 HG SER 32 20.126 3.762 15.893 230 H ASP 33 H ASP 33 16.610 1.769 14.624 231 HA ASP 33 HA ASP 33 16.477 -0.471 12.945 232 HB2 ASP 33 1HB ASP 33 14.606 0.793 14.909 233 HB3 ASP 33 2HB ASP 33 14.009 -0.496 13.867 234 H LEU 34 H LEU 34 14.651 2.571 12.892 235 HA LEU 34 HA LEU 34 12.898 1.978 10.817 236 HB2 LEU 34 1HB LEU 34 12.573 3.944 12.117 237 HB3 LEU 34 2HB LEU 34 14.155 4.576 11.666 238 HG LEU 34 HG LEU 34 13.362 4.906 9.369 239 HD11 LEU 34 1HD1 LEU 34 10.629 4.151 10.376 240 HD12 LEU 34 2HD1 LEU 34 11.670 3.052 9.472 241 HD13 LEU 34 3HD1 LEU 34 11.108 4.547 8.726 242 HD21 LEU 34 1HD2 LEU 34 13.181 6.741 10.944 243 HD22 LEU 34 2HD2 LEU 34 11.612 6.149 11.489 244 HD23 LEU 34 3HD2 LEU 34 11.805 6.749 9.841 245 H SER 35 H SER 35 16.190 3.274 10.696 246 HA SER 35 HA SER 35 16.404 3.896 8.024 247 HB2 SER 35 1HB SER 35 18.223 4.397 9.505 248 HB3 SER 35 2HB SER 35 18.456 2.692 9.889 249 HG SER 35 HG SER 35 19.275 2.346 7.877 250 H LYS 36 H LYS 36 17.018 0.735 9.539 251 HA LYS 36 HA LYS 36 17.619 -0.635 7.153 252 HB2 LYS 36 1HB LYS 36 16.520 -1.676 9.771 253 HB3 LYS 36 2HB LYS 36 17.144 -2.690 8.477 254 HG2 LYS 36 1HG LYS 36 19.319 -2.114 8.881 255 HG3 LYS 36 2HG LYS 36 18.891 -0.544 9.566 256 HD2 LYS 36 1HD LYS 36 18.032 -1.652 11.571 257 HD3 LYS 36 2HD LYS 36 18.447 -3.224 10.884 258 HE2 LYS 36 1HE LYS 36 20.822 -2.473 10.783 259 HE3 LYS 36 2HE LYS 36 20.345 -1.006 11.637 260 HZ1 LYS 36 1HZ LYS 36 20.871 -2.218 13.434 261 HZ2 LYS 36 2HZ LYS 36 20.689 -3.701 12.642 262 HZ3 LYS 36 3HZ LYS 36 19.329 -2.886 13.234 263 H HIS 37 H HIS 37 14.584 -0.116 8.885 264 HA HIS 37 HA HIS 37 12.923 -1.841 7.498 265 HB2 HIS 37 1HB HIS 37 11.835 -0.854 9.267 266 HB3 HIS 37 2HB HIS 37 12.516 0.736 8.939 267 HD1 HIS 37 1HD HIS 37 9.785 -1.579 7.747 268 HD2 HIS 37 2HD HIS 37 10.929 2.403 7.436 269 HE1 HIS 37 1HE HIS 37 7.859 -0.412 6.627 270 H ARG 38 H ARG 38 13.593 1.579 6.744 271 HA ARG 38 HA ARG 38 12.085 1.973 4.530 272 HB2 ARG 38 1HB ARG 38 14.755 2.950 5.373 273 HB3 ARG 38 2HB ARG 38 14.317 3.216 3.691 274 HG2 ARG 38 1HG ARG 38 13.618 5.155 4.746 275 HG3 ARG 38 2HG ARG 38 12.138 4.201 4.631 276 HD2 ARG 38 1HD ARG 38 11.999 4.814 6.818 277 HD3 ARG 38 2HD ARG 38 12.955 3.344 7.003 278 HE ARG 38 HE ARG 38 14.674 4.631 7.763 279 HH11 ARG 38 2HH1 ARG 38 12.505 6.649 5.934 280 HH12 ARG 38 1HH1 ARG 38 13.352 8.116 6.300 281 HH21 ARG 38 2HH2 ARG 38 15.798 6.555 8.252 282 HH22 ARG 38 1HH2 ARG 38 15.225 8.061 7.618 283 H ARG 39 H ARG 39 15.075 0.123 4.709 284 HA ARG 39 HA ARG 39 15.805 -0.248 2.135 285 HB2 ARG 39 1HB ARG 39 15.544 -2.430 4.212 286 HB3 ARG 39 2HB ARG 39 16.505 -2.539 2.744 287 HG2 ARG 39 1HG ARG 39 16.957 -0.444 4.852 288 HG3 ARG 39 2HG ARG 39 17.771 -2.009 4.845 289 HD2 ARG 39 1HD ARG 39 17.838 -0.385 2.357 290 HD3 ARG 39 2HD ARG 39 18.838 0.136 3.713 291 HE ARG 39 HE ARG 39 19.203 -2.222 2.078 292 HH11 ARG 39 2HH1 ARG 39 19.991 -0.586 5.048 293 HH12 ARG 39 1HH1 ARG 39 21.456 -1.476 5.302 294 HH21 ARG 39 2HH2 ARG 39 21.128 -3.401 2.402 295 HH22 ARG 39 1HH2 ARG 39 22.102 -3.077 3.796 296 H THR 40 H THR 40 13.173 -1.998 3.762 297 HA THR 40 HA THR 40 12.343 -3.789 1.945 298 HB THR 40 HB THR 40 9.954 -3.212 2.569 299 HG1 THR 40 1HG THR 40 9.778 -1.192 3.213 300 HG21 THR 40 1HG2 THR 40 10.190 -4.418 4.463 301 HG22 THR 40 2HG2 THR 40 11.383 -3.310 5.141 302 HG23 THR 40 3HG2 THR 40 11.877 -4.525 3.962 303 H HIS 41 H HIS 41 11.393 -0.354 1.830 304 HA HIS 41 HA HIS 41 10.045 -0.553 -0.650 305 HB2 HIS 41 1HB HIS 41 11.292 1.940 0.515 306 HB3 HIS 41 2HB HIS 41 9.941 1.845 -0.611 307 HD1 HIS 41 1HD HIS 41 7.639 1.077 0.371 308 HD2 HIS 41 2HD HIS 41 10.639 1.638 3.191 309 HE1 HIS 41 1HE HIS 41 6.467 1.143 2.595 310 H THR 42 H THR 42 13.126 1.100 0.070 311 HA THR 42 HA THR 42 14.021 1.713 -2.391 312 HB THR 42 HB THR 42 16.005 0.329 -0.641 313 HG1 THR 42 1HG THR 42 15.426 1.477 1.029 314 HG21 THR 42 1HG2 THR 42 16.756 1.496 -2.651 315 HG22 THR 42 2HG2 THR 42 17.351 2.306 -1.202 316 HG23 THR 42 3HG2 THR 42 15.984 2.979 -2.091 317 H GLY 43 H GLY 43 13.511 0.412 -4.101 318 HA2 GLY 43 1HA GLY 43 15.026 -1.328 -5.299 319 HA3 GLY 43 2HA GLY 43 14.415 -2.382 -4.032 320 H GLU 44 H GLU 44 11.764 -1.442 -3.926 321 HA GLU 44 HA GLU 44 10.776 -2.251 -6.582 322 HB2 GLU 44 1HB GLU 44 9.946 -3.070 -3.831 323 HB3 GLU 44 2HB GLU 44 8.731 -3.015 -5.100 324 HG2 GLU 44 1HG GLU 44 10.026 -4.573 -6.438 325 HG3 GLU 44 2HG GLU 44 11.285 -4.604 -5.204 326 H LYS 45 H LYS 45 8.211 -1.733 -6.539 327 HA LYS 45 HA LYS 45 7.760 0.807 -7.158 328 HB2 LYS 45 1HB LYS 45 5.976 -1.095 -5.668 329 HB3 LYS 45 2HB LYS 45 5.415 0.522 -6.074 330 HG2 LYS 45 1HG LYS 45 5.383 0.093 -8.332 331 HG3 LYS 45 2HG LYS 45 6.576 -1.202 -8.211 332 HD2 LYS 45 1HD LYS 45 3.857 -1.458 -6.967 333 HD3 LYS 45 2HD LYS 45 4.129 -1.844 -8.668 334 HE2 LYS 45 1HE LYS 45 5.779 -3.503 -8.064 335 HE3 LYS 45 2HE LYS 45 5.647 -3.062 -6.363 336 HZ1 LYS 45 1HZ LYS 45 3.098 -3.702 -7.400 337 HZ2 LYS 45 2HZ LYS 45 3.945 -4.438 -6.134 338 HZ3 LYS 45 3HZ LYS 45 4.173 -4.968 -7.724 339 HA PRO 46 HA PRO 46 9.021 2.771 -3.255 340 HB2 PRO 46 1HB PRO 46 9.637 5.147 -4.414 341 HB3 PRO 46 2HB PRO 46 10.747 3.772 -4.395 342 HG2 PRO 46 1HG PRO 46 8.932 4.710 -6.583 343 HG3 PRO 46 2HG PRO 46 10.611 4.151 -6.685 344 HD2 PRO 46 1HD PRO 46 8.507 2.568 -7.316 345 HD3 PRO 46 2HD PRO 46 10.007 1.928 -6.615 346 H TYR 47 H TYR 47 6.460 3.218 -5.391 347 HA TYR 47 HA TYR 47 5.337 5.440 -3.832 348 HB2 TYR 47 1HB TYR 47 4.291 4.307 -6.430 349 HB3 TYR 47 2HB TYR 47 3.823 5.818 -5.659 350 HD1 TYR 47 2HD TYR 47 5.344 7.752 -5.693 351 HD2 TYR 47 1HD TYR 47 6.299 4.147 -7.740 352 HE1 TYR 47 2HE TYR 47 7.063 8.947 -6.983 353 HE2 TYR 47 1HE TYR 47 8.023 5.331 -9.035 354 HH TYR 47 HH TYR 47 9.126 7.244 -9.315 355 H LYS 48 H LYS 48 3.952 4.950 -2.280 356 HA LYS 48 HA LYS 48 1.932 2.912 -2.691 357 HB2 LYS 48 1HB LYS 48 3.676 1.540 -1.772 358 HB3 LYS 48 2HB LYS 48 4.001 2.711 -0.500 359 HG2 LYS 48 1HG LYS 48 1.603 2.278 0.265 360 HG3 LYS 48 2HG LYS 48 1.659 0.865 -0.790 361 HD2 LYS 48 1HD LYS 48 3.678 0.095 0.425 362 HD3 LYS 48 2HD LYS 48 3.500 1.464 1.525 363 HE2 LYS 48 1HE LYS 48 1.296 -0.530 1.076 364 HE3 LYS 48 2HE LYS 48 2.556 -0.783 2.283 365 HZ1 LYS 48 1HZ LYS 48 0.229 0.657 2.592 366 HZ2 LYS 48 2HZ LYS 48 1.451 1.822 2.504 367 HZ3 LYS 48 3HZ LYS 48 1.534 0.595 3.666 368 H CYS 49 H CYS 49 0.061 3.433 -1.712 369 HA CYS 49 HA CYS 49 -0.080 5.938 -0.290 370 HB2 CYS 49 1HB CYS 49 -1.786 5.354 -1.957 371 HB3 CYS 49 2HB CYS 49 -2.252 3.953 -0.996 372 H ASP 50 H ASP 50 -1.265 6.159 1.751 373 HA ASP 50 HA ASP 50 -0.583 3.961 3.576 374 HB2 ASP 50 1HB ASP 50 -1.320 6.755 4.420 375 HB3 ASP 50 2HB ASP 50 -0.399 5.546 5.311 376 H GLU 51 H GLU 51 -3.182 6.254 2.815 377 HA GLU 51 HA GLU 51 -5.070 5.441 4.665 378 HB2 GLU 51 1HB GLU 51 -5.354 6.510 1.865 379 HB3 GLU 51 2HB GLU 51 -6.755 6.156 2.866 380 HG2 GLU 51 1HG GLU 51 -6.467 8.382 3.287 381 HG3 GLU 51 2HG GLU 51 -5.539 7.670 4.605 382 H CYS 52 H CYS 52 -4.841 4.321 1.283 383 HA CYS 52 HA CYS 52 -6.566 2.066 1.887 384 HB2 CYS 52 1HB CYS 52 -6.483 1.605 -0.500 385 HB3 CYS 52 2HB CYS 52 -6.826 3.312 -0.234 386 H GLY 53 H GLY 53 -3.222 2.625 0.830 387 HA2 GLY 53 1HA GLY 53 -1.391 1.326 1.598 388 HA3 GLY 53 2HA GLY 53 -2.507 0.020 1.969 389 H LYS 54 H LYS 54 -2.509 1.760 -1.072 390 HA LYS 54 HA LYS 54 -1.947 -0.746 -2.456 391 HB2 LYS 54 1HB LYS 54 -3.837 1.034 -2.980 392 HB3 LYS 54 2HB LYS 54 -2.550 1.795 -3.905 393 HG2 LYS 54 1HG LYS 54 -2.259 -0.243 -5.204 394 HG3 LYS 54 2HG LYS 54 -3.522 -1.034 -4.259 395 HD2 LYS 54 1HD LYS 54 -5.177 0.504 -5.085 396 HD3 LYS 54 2HD LYS 54 -3.939 1.463 -5.899 397 HE2 LYS 54 1HE LYS 54 -4.678 0.225 -7.666 398 HE3 LYS 54 2HE LYS 54 -3.423 -0.856 -7.061 399 HZ1 LYS 54 1HZ LYS 54 -5.026 -2.201 -6.002 400 HZ2 LYS 54 2HZ LYS 54 -5.617 -1.919 -7.561 401 HZ3 LYS 54 3HZ LYS 54 -6.264 -1.073 -6.246 402 H ALA 55 H ALA 55 -0.548 -0.632 -4.431 403 HA ALA 55 HA ALA 55 1.791 1.091 -3.925 404 HB1 ALA 55 1HB ALA 55 2.546 -1.182 -5.450 405 HB2 ALA 55 2HB ALA 55 3.053 -0.729 -3.822 406 HB3 ALA 55 3HB ALA 55 1.624 -1.737 -4.053 407 H PHE 56 H PHE 56 3.095 1.602 -5.838 408 HA PHE 56 HA PHE 56 1.826 1.336 -8.427 409 HB2 PHE 56 1HB PHE 56 2.384 4.116 -7.396 410 HB3 PHE 56 2HB PHE 56 1.540 3.657 -8.871 411 HD1 PHE 56 2HD PHE 56 1.293 3.907 -5.220 412 HD2 PHE 56 1HD PHE 56 -0.769 3.031 -8.839 413 HE1 PHE 56 2HE PHE 56 -0.852 4.022 -4.022 414 HE2 PHE 56 1HE PHE 56 -2.918 3.145 -7.647 415 HZ PHE 56 HZ PHE 56 -2.961 3.640 -5.234 416 H ILE 57 H ILE 57 3.209 1.851 -10.172 417 HA ILE 57 HA ILE 57 6.034 1.728 -9.457 418 HB ILE 57 HB ILE 57 4.696 1.435 -12.149 419 HG12 ILE 57 1HG1 ILE 57 6.038 -0.759 -10.600 420 HG13 ILE 57 2HG1 ILE 57 4.363 -0.335 -10.267 421 HG21 ILE 57 1HG2 ILE 57 6.848 0.630 -12.941 422 HG22 ILE 57 2HG2 ILE 57 6.995 2.271 -12.313 423 HG23 ILE 57 3HG2 ILE 57 7.554 0.905 -11.348 424 HD11 ILE 57 1HD1 ILE 57 4.627 -0.602 -13.065 425 HD12 ILE 57 2HD1 ILE 57 5.407 -1.995 -12.314 426 HD13 ILE 57 3HD1 ILE 57 3.724 -1.619 -11.942 427 H GLN 58 H GLN 58 3.927 3.621 -11.619 428 HA GLN 58 HA GLN 58 6.015 5.631 -11.916 429 HB2 GLN 58 1HB GLN 58 3.381 5.121 -13.258 430 HB3 GLN 58 2HB GLN 58 4.156 6.693 -13.401 431 HG2 GLN 58 1HG GLN 58 5.701 4.219 -14.024 432 HG3 GLN 58 2HG GLN 58 4.557 4.864 -15.201 433 HE21 GLN 58 1HE2 GLN 58 6.566 5.052 -16.470 434 HE22 GLN 58 2HE2 GLN 58 7.504 6.494 -16.302 435 H ARG 59 H ARG 59 5.695 7.843 -11.423 436 HA ARG 59 HA ARG 59 4.521 8.347 -8.933 437 HB2 ARG 59 1HB ARG 59 6.356 9.692 -9.860 438 HB3 ARG 59 2HB ARG 59 5.274 10.321 -11.095 439 HG2 ARG 59 1HG ARG 59 5.476 11.983 -9.421 440 HG3 ARG 59 2HG ARG 59 3.870 11.272 -9.254 441 HD2 ARG 59 1HD ARG 59 4.509 11.251 -7.067 442 HD3 ARG 59 2HD ARG 59 5.152 9.687 -7.565 443 HE ARG 59 HE ARG 59 7.180 11.482 -8.013 444 HH11 ARG 59 2HH1 ARG 59 5.278 10.481 -5.275 445 HH12 ARG 59 1HH1 ARG 59 6.535 10.788 -4.124 446 HH21 ARG 59 2HH2 ARG 59 8.844 11.890 -6.507 447 HH22 ARG 59 1HH2 ARG 59 8.563 11.590 -4.826 448 H SER 60 H SER 60 3.422 9.257 -12.193 449 HA SER 60 HA SER 60 1.144 10.655 -11.566 450 HB2 SER 60 1HB SER 60 0.244 9.862 -13.763 451 HB3 SER 60 2HB SER 60 1.896 10.470 -13.857 452 HG SER 60 HG SER 60 1.120 8.212 -14.755 453 H HIS 61 H HIS 61 1.441 7.136 -11.984 454 HA HIS 61 HA HIS 61 -1.118 6.291 -11.694 455 HB2 HIS 61 1HB HIS 61 1.343 5.103 -10.398 456 HB3 HIS 61 2HB HIS 61 -0.205 4.274 -10.533 457 HD1 HIS 61 1HD HIS 61 1.204 2.474 -11.921 458 HD2 HIS 61 2HD HIS 61 0.731 6.191 -13.715 459 HE1 HIS 61 1HE HIS 61 1.774 2.128 -14.345 460 H LEU 62 H LEU 62 0.901 7.696 -9.221 461 HA LEU 62 HA LEU 62 -1.055 7.110 -7.138 462 HB2 LEU 62 1HB LEU 62 1.296 6.831 -6.598 463 HB3 LEU 62 2HB LEU 62 1.614 8.509 -7.034 464 HG LEU 62 HG LEU 62 0.072 9.163 -5.141 465 HD11 LEU 62 1HD1 LEU 62 -0.572 7.612 -3.523 466 HD12 LEU 62 2HD1 LEU 62 0.531 6.378 -4.130 467 HD13 LEU 62 3HD1 LEU 62 -0.913 6.799 -5.051 468 HD21 LEU 62 1HD2 LEU 62 2.665 8.979 -5.155 469 HD22 LEU 62 2HD2 LEU 62 2.393 7.596 -4.095 470 HD23 LEU 62 3HD2 LEU 62 1.814 9.195 -3.625 471 H ILE 63 H ILE 63 0.544 9.963 -8.550 472 HA ILE 63 HA ILE 63 -0.593 12.032 -7.275 473 HB ILE 63 HB ILE 63 -0.344 11.787 -10.274 474 HG12 ILE 63 1HG1 ILE 63 1.511 13.056 -8.250 475 HG13 ILE 63 2HG1 ILE 63 1.747 11.460 -8.954 476 HG21 ILE 63 1HG2 ILE 63 -0.487 14.158 -10.409 477 HG22 ILE 63 2HG2 ILE 63 -1.881 13.603 -9.483 478 HG23 ILE 63 3HG2 ILE 63 -0.499 14.318 -8.653 479 HD11 ILE 63 1HD1 ILE 63 3.059 13.383 -9.956 480 HD12 ILE 63 2HD1 ILE 63 2.178 12.344 -11.077 481 HD13 ILE 63 3HD1 ILE 63 1.528 13.925 -10.644 482 H GLY 64 H GLY 64 -2.218 10.027 -9.697 483 HA2 GLY 64 1HA GLY 64 -4.634 11.557 -9.688 484 HA3 GLY 64 2HA GLY 64 -4.419 9.955 -10.379 485 H HIS 65 H HIS 65 -4.072 8.214 -8.577 486 HA HIS 65 HA HIS 65 -6.349 7.612 -7.328 487 HB2 HIS 65 1HB HIS 65 -4.670 5.996 -7.143 488 HB3 HIS 65 2HB HIS 65 -3.519 7.132 -6.446 489 HD1 HIS 65 1HD HIS 65 -6.708 5.312 -5.491 490 HD2 HIS 65 2HD HIS 65 -3.378 7.063 -3.729 491 HE1 HIS 65 1HE HIS 65 -6.875 4.762 -3.042 492 H HIS 66 H HIS 66 -3.890 9.776 -5.988 493 HA HIS 66 HA HIS 66 -4.618 10.265 -3.473 494 HB2 HIS 66 1HB HIS 66 -3.792 12.104 -5.663 495 HB3 HIS 66 2HB HIS 66 -4.376 12.831 -4.169 496 HD1 HIS 66 1HD HIS 66 -1.419 11.329 -5.688 497 HD2 HIS 66 2HD HIS 66 -2.809 12.046 -1.839 498 HE1 HIS 66 1HE HIS 66 0.592 11.108 -4.195 499 H ARG 67 H ARG 67 -6.181 12.097 -6.109 500 HA ARG 67 HA ARG 67 -8.138 13.403 -4.837 501 HB2 ARG 67 1HB ARG 67 -9.448 13.349 -6.814 502 HB3 ARG 67 2HB ARG 67 -7.773 13.242 -7.337 503 HG2 ARG 67 1HG ARG 67 -8.120 10.724 -7.404 504 HG3 ARG 67 2HG ARG 67 -9.843 11.075 -7.259 505 HD2 ARG 67 1HD ARG 67 -9.592 12.577 -9.263 506 HD3 ARG 67 2HD ARG 67 -7.964 11.927 -9.452 507 HE ARG 67 HE ARG 67 -9.444 9.696 -9.396 508 HH11 ARG 67 2HH1 ARG 67 -9.801 12.669 -11.172 509 HH12 ARG 67 1HH1 ARG 67 -10.578 11.918 -12.527 510 HH21 ARG 67 2HH2 ARG 67 -10.466 8.696 -11.173 511 HH22 ARG 67 1HH2 ARG 67 -10.956 9.659 -12.526 512 H VAL 68 H VAL 68 -8.209 9.944 -5.574 513 HA VAL 68 HA VAL 68 -10.731 9.198 -4.935 514 HB VAL 68 HB VAL 68 -8.223 7.792 -4.007 515 HG11 VAL 68 1HG1 VAL 68 -11.048 7.161 -3.715 516 HG12 VAL 68 2HG1 VAL 68 -10.138 5.882 -4.521 517 HG13 VAL 68 3HG1 VAL 68 -9.641 6.449 -2.926 518 HG21 VAL 68 1HG2 VAL 68 -9.847 7.164 -6.454 519 HG22 VAL 68 2HG2 VAL 68 -8.516 8.321 -6.490 520 HG23 VAL 68 3HG2 VAL 68 -8.212 6.640 -6.051 521 H HIS 69 H HIS 69 -8.117 9.630 -2.550 522 HA HIS 69 HA HIS 69 -9.944 9.350 -0.339 523 HB2 HIS 69 1HB HIS 69 -7.018 10.088 -0.481 524 HB3 HIS 69 2HB HIS 69 -7.913 9.944 1.029 525 HD1 HIS 69 1HD HIS 69 -9.139 7.439 1.249 526 HD2 HIS 69 2HD HIS 69 -5.780 7.794 -1.171 527 HE1 HIS 69 1HE HIS 69 -8.251 5.101 0.985 528 H THR 70 H THR 70 -10.782 10.929 0.941 529 HA THR 70 HA THR 70 -10.508 13.677 -0.053 530 HB THR 70 HB THR 70 -12.798 12.749 0.047 531 HG1 THR 70 1HG THR 70 -13.519 14.541 1.638 532 HG21 THR 70 1HG2 THR 70 -13.045 12.971 2.948 533 HG22 THR 70 2HG2 THR 70 -11.998 11.646 2.439 534 HG23 THR 70 3HG2 THR 70 -13.659 11.734 1.852 535 H GLY 71 H GLY 71 -8.405 12.652 1.516 536 HA2 GLY 71 1HA GLY 71 -7.104 13.225 3.318 537 HA3 GLY 71 2HA GLY 71 -8.068 14.692 3.398 538 H SER 72 H SER 72 -7.681 11.435 4.595 539 HA SER 72 HA SER 72 -9.957 11.535 6.340 540 HB2 SER 72 1HB SER 72 -9.113 9.422 7.231 541 HB3 SER 72 2HB SER 72 -9.062 9.398 5.469 542 HG SER 72 HG SER 72 -7.121 8.679 6.759 543 H GLY 73 H GLY 73 -6.431 11.664 6.855 544 HA2 GLY 73 1HA GLY 73 -6.334 11.985 9.576 545 HA3 GLY 73 2HA GLY 73 -5.204 12.752 8.470 546 HA PRO 74 HA PRO 74 -6.782 16.756 9.303 547 HB2 PRO 74 1HB PRO 74 -7.311 17.862 6.881 548 HB3 PRO 74 2HB PRO 74 -5.669 17.567 7.465 549 HG2 PRO 74 1HG PRO 74 -7.329 15.941 5.578 550 HG3 PRO 74 2HG PRO 74 -5.612 16.371 5.472 551 HD2 PRO 74 1HD PRO 74 -6.456 13.947 6.336 552 HD3 PRO 74 2HD PRO 74 -4.977 14.716 6.946 553 H SER 75 H SER 75 -8.655 17.518 10.062 554 HA SER 75 HA SER 75 -11.135 16.291 9.283 555 HB2 SER 75 1HB SER 75 -12.113 17.837 11.006 556 HB3 SER 75 2HB SER 75 -10.822 16.802 11.616 557 HG SER 75 HG SER 75 -9.949 18.602 12.242 558 H SER 76 H SER 76 -12.698 17.077 7.997 559 HA SER 76 HA SER 76 -12.133 19.557 6.560 560 HB2 SER 76 1HB SER 76 -13.577 18.775 4.861 561 HB3 SER 76 2HB SER 76 -12.718 17.335 5.409 562 HG SER 76 HG SER 76 -14.515 16.713 6.555 563 H GLY 77 H GLY 77 -13.988 20.995 6.032 564 HA2 GLY 77 1HA GLY 77 -16.120 20.998 8.039 565 HA3 GLY 77 2HA GLY 77 -15.053 22.393 7.984 Start of MODEL 4 1 H1 GLY 1 H GLY 1 0.207 43.180 -21.330 2 HA2 GLY 1 1HA GLY 1 1.534 44.027 -19.184 3 HA3 GLY 1 2HA GLY 1 -0.099 44.515 -18.758 4 H SER 2 H SER 2 1.546 42.639 -17.349 5 HA SER 2 HA SER 2 -0.325 40.435 -17.250 6 HB2 SER 2 1HB SER 2 2.503 40.112 -18.194 7 HB3 SER 2 2HB SER 2 1.742 38.817 -17.269 8 HG SER 2 HG SER 2 0.080 38.780 -18.838 9 H SER 3 H SER 3 0.040 39.037 -15.375 10 HA SER 3 HA SER 3 1.939 39.828 -13.375 11 HB2 SER 3 1HB SER 3 0.156 41.587 -13.178 12 HB3 SER 3 2HB SER 3 -0.986 40.308 -12.766 13 HG SER 3 HG SER 3 1.134 41.358 -11.283 14 H GLY 4 H GLY 4 1.369 38.649 -11.221 15 HA2 GLY 4 1HA GLY 4 -0.270 36.320 -11.376 16 HA3 GLY 4 2HA GLY 4 1.420 35.922 -11.648 17 H SER 5 H SER 5 0.631 34.640 -9.615 18 HA SER 5 HA SER 5 2.007 35.738 -7.390 19 HB2 SER 5 1HB SER 5 -0.252 36.948 -7.336 20 HB3 SER 5 2HB SER 5 -0.950 35.386 -6.908 21 HG SER 5 HG SER 5 1.198 35.874 -5.376 22 H SER 6 H SER 6 2.595 34.168 -5.963 23 HA SER 6 HA SER 6 2.137 31.454 -6.740 24 HB2 SER 6 1HB SER 6 3.630 32.710 -4.436 25 HB3 SER 6 2HB SER 6 3.514 30.964 -4.655 26 HG SER 6 HG SER 6 5.040 32.803 -5.993 27 H GLY 7 H GLY 7 1.557 33.137 -3.642 28 HA2 GLY 7 1HA GLY 7 -0.560 33.067 -2.519 29 HA3 GLY 7 2HA GLY 7 -0.906 31.555 -3.345 30 H ARG 8 H ARG 8 -1.498 30.884 -1.130 31 HA ARG 8 HA ARG 8 0.877 30.083 0.419 32 HB2 ARG 8 1HB ARG 8 -0.896 31.678 1.445 33 HB3 ARG 8 2HB ARG 8 -1.890 30.233 1.576 34 HG2 ARG 8 1HG ARG 8 -0.266 29.177 2.996 35 HG3 ARG 8 2HG ARG 8 0.859 30.517 2.766 36 HD2 ARG 8 1HD ARG 8 -0.257 30.712 4.911 37 HD3 ARG 8 2HD ARG 8 -0.742 32.031 3.846 38 HE ARG 8 HE ARG 8 -2.579 29.908 3.620 39 HH11 ARG 8 2HH1 ARG 8 -1.573 32.393 5.841 40 HH12 ARG 8 1HH1 ARG 8 -3.122 32.518 6.607 41 HH21 ARG 8 2HH2 ARG 8 -4.623 30.063 4.621 42 HH22 ARG 8 1HH2 ARG 8 -4.856 31.191 5.913 43 H SER 9 H SER 9 0.742 28.014 1.527 44 HA SER 9 HA SER 9 -0.778 26.064 -0.061 45 HB2 SER 9 1HB SER 9 0.885 24.410 0.868 46 HB3 SER 9 2HB SER 9 1.584 25.651 -0.172 47 HG SER 9 HG SER 9 2.731 25.254 1.838 48 H GLU 10 H GLU 10 -2.335 24.874 0.843 49 HA GLU 10 HA GLU 10 -3.251 25.429 3.463 50 HB2 GLU 10 1HB GLU 10 -4.522 24.538 1.350 51 HB3 GLU 10 2HB GLU 10 -4.073 22.960 1.982 52 HG2 GLU 10 1HG GLU 10 -6.264 23.473 2.751 53 HG3 GLU 10 2HG GLU 10 -5.165 23.572 4.126 54 H TRP 11 H TRP 11 -1.912 22.429 2.073 55 HA TRP 11 HA TRP 11 -1.759 21.008 4.477 56 HB2 TRP 11 1HB TRP 11 -0.036 19.618 3.262 57 HB3 TRP 11 2HB TRP 11 -1.571 19.811 2.418 58 HD1 TRP 11 HD TRP 11 -1.560 21.176 0.142 59 HE1 TRP 11 1HE TRP 11 0.338 21.947 -1.416 60 HE3 TRP 11 3HE TRP 11 2.410 20.468 3.285 61 HZ2 TRP 11 2HZ TRP 11 3.146 22.220 -1.325 62 HZ3 TRP 11 3HZ TRP 11 4.668 21.008 2.472 63 HH2 TRP 11 HH TRP 11 5.027 21.865 0.215 64 H GLN 12 H GLN 12 -0.174 20.741 6.006 65 HA GLN 12 HA GLN 12 2.202 22.459 5.790 66 HB2 GLN 12 1HB GLN 12 1.986 23.156 8.082 67 HB3 GLN 12 2HB GLN 12 0.478 23.510 7.250 68 HG2 GLN 12 1HG GLN 12 -0.686 21.875 8.372 69 HG3 GLN 12 2HG GLN 12 0.766 20.944 8.737 70 HE21 GLN 12 1HE2 GLN 12 -0.810 21.209 10.780 71 HE22 GLN 12 2HE2 GLN 12 -0.264 22.407 11.898 72 H GLN 13 H GLN 13 2.081 19.713 5.195 73 HA GLN 13 HA GLN 13 2.859 17.634 5.825 74 HB2 GLN 13 1HB GLN 13 5.230 17.695 6.343 75 HB3 GLN 13 2HB GLN 13 4.852 18.907 5.126 76 HG2 GLN 13 1HG GLN 13 4.798 20.612 6.936 77 HG3 GLN 13 2HG GLN 13 5.361 19.370 8.053 78 HE21 GLN 13 1HE2 GLN 13 7.221 20.617 8.460 79 HE22 GLN 13 2HE2 GLN 13 8.530 20.668 7.333 80 H ARG 14 H ARG 14 1.045 18.392 7.720 81 HA ARG 14 HA ARG 14 1.851 18.580 10.354 82 HB2 ARG 14 1HB ARG 14 -0.511 18.691 9.413 83 HB3 ARG 14 2HB ARG 14 -0.510 16.933 9.458 84 HG2 ARG 14 1HG ARG 14 -0.282 16.921 11.832 85 HG3 ARG 14 2HG ARG 14 -0.015 18.666 11.866 86 HD2 ARG 14 1HD ARG 14 -2.291 19.005 10.988 87 HD3 ARG 14 2HD ARG 14 -2.549 17.261 11.028 88 HE ARG 14 HE ARG 14 -2.749 19.058 13.216 89 HH11 ARG 14 2HH1 ARG 14 -1.765 15.828 12.370 90 HH12 ARG 14 1HH1 ARG 14 -2.069 15.182 13.949 91 HH21 ARG 14 2HH2 ARG 14 -3.153 18.219 15.299 92 HH22 ARG 14 1HH2 ARG 14 -2.859 16.543 15.614 93 H GLU 15 H GLU 15 1.450 15.680 8.365 94 HA GLU 15 HA GLU 15 1.868 13.766 10.360 95 HB2 GLU 15 1HB GLU 15 1.034 13.268 8.079 96 HB3 GLU 15 2HB GLU 15 2.643 13.583 7.444 97 HG2 GLU 15 1HG GLU 15 3.539 11.721 8.705 98 HG3 GLU 15 2HG GLU 15 1.959 11.426 9.428 99 H ARG 16 H ARG 16 3.535 14.492 11.717 100 HA ARG 16 HA ARG 16 6.195 13.797 10.764 101 HB2 ARG 16 1HB ARG 16 5.609 16.471 12.049 102 HB3 ARG 16 2HB ARG 16 7.204 15.857 11.636 103 HG2 ARG 16 1HG ARG 16 5.113 16.134 9.521 104 HG3 ARG 16 2HG ARG 16 6.030 17.542 10.063 105 HD2 ARG 16 1HD ARG 16 7.471 15.037 9.310 106 HD3 ARG 16 2HD ARG 16 6.873 16.111 8.045 107 HE ARG 16 HE ARG 16 8.456 17.376 10.114 108 HH11 ARG 16 2HH1 ARG 16 8.411 15.888 6.967 109 HH12 ARG 16 1HH1 ARG 16 9.887 16.632 6.450 110 HH21 ARG 16 2HH2 ARG 16 10.401 18.362 9.445 111 HH22 ARG 16 1HH2 ARG 16 11.019 18.039 7.861 112 H ARG 17 H ARG 17 7.145 12.543 12.223 113 HA ARG 17 HA ARG 17 6.555 12.961 15.068 114 HB2 ARG 17 1HB ARG 17 6.126 10.498 13.456 115 HB3 ARG 17 2HB ARG 17 6.763 10.298 15.082 116 HG2 ARG 17 1HG ARG 17 4.503 10.130 15.441 117 HG3 ARG 17 2HG ARG 17 4.784 11.843 15.758 118 HD2 ARG 17 1HD ARG 17 4.221 12.186 13.276 119 HD3 ARG 17 2HD ARG 17 3.562 10.552 13.341 120 HE ARG 17 HE ARG 17 2.467 12.932 14.588 121 HH11 ARG 17 2HH1 ARG 17 2.419 9.460 14.335 122 HH12 ARG 17 1HH1 ARG 17 0.822 9.304 14.990 123 HH21 ARG 17 2HH2 ARG 17 0.365 12.739 15.453 124 HH22 ARG 17 1HH2 ARG 17 -0.345 11.170 15.625 125 H ARG 18 H ARG 18 8.097 11.470 16.407 126 HA ARG 18 HA ARG 18 10.663 12.364 16.192 127 HB2 ARG 18 1HB ARG 18 9.864 11.213 18.173 128 HB3 ARG 18 2HB ARG 18 9.730 9.704 17.281 129 HG2 ARG 18 1HG ARG 18 11.702 9.425 18.436 130 HG3 ARG 18 2HG ARG 18 12.268 10.008 16.870 131 HD2 ARG 18 1HD ARG 18 12.711 12.151 17.700 132 HD3 ARG 18 2HD ARG 18 11.721 11.894 19.136 133 HE ARG 18 HE ARG 18 13.492 10.807 20.143 134 HH11 ARG 18 2HH1 ARG 18 14.201 11.425 16.791 135 HH12 ARG 18 1HH1 ARG 18 15.880 11.024 16.937 136 HH21 ARG 18 2HH2 ARG 18 15.701 10.277 20.348 137 HH22 ARG 18 1HH2 ARG 18 16.732 10.370 18.961 138 H TYR 19 H TYR 19 9.593 9.134 15.112 139 HA TYR 19 HA TYR 19 11.930 9.050 13.329 140 HB2 TYR 19 1HB TYR 19 10.216 6.818 14.435 141 HB3 TYR 19 2HB TYR 19 11.511 6.586 13.266 142 HD1 TYR 19 2HD TYR 19 10.799 7.750 16.716 143 HD2 TYR 19 1HD TYR 19 13.750 6.392 13.968 144 HE1 TYR 19 2HE TYR 19 12.419 7.564 18.557 145 HE2 TYR 19 1HE TYR 19 15.378 6.201 15.802 146 HH TYR 19 HH TYR 19 15.693 7.269 18.102 147 H LYS 20 H LYS 20 11.523 9.549 11.289 148 HA LYS 20 HA LYS 20 9.084 8.517 10.032 149 HB2 LYS 20 1HB LYS 20 8.478 10.769 10.500 150 HB3 LYS 20 2HB LYS 20 10.047 11.374 9.983 151 HG2 LYS 20 1HG LYS 20 9.486 10.600 7.671 152 HG3 LYS 20 2HG LYS 20 7.857 10.251 8.254 153 HD2 LYS 20 1HD LYS 20 7.726 12.646 9.009 154 HD3 LYS 20 2HD LYS 20 9.245 12.925 8.153 155 HE2 LYS 20 1HE LYS 20 7.588 13.563 6.628 156 HE3 LYS 20 2HE LYS 20 8.064 11.946 6.109 157 HZ1 LYS 20 1HZ LYS 20 5.982 11.715 7.972 158 HZ2 LYS 20 2HZ LYS 20 5.977 11.292 6.334 159 HZ3 LYS 20 3HZ LYS 20 5.516 12.849 6.806 160 H CYS 21 H CYS 21 9.467 7.560 8.137 161 HA CYS 21 HA CYS 21 12.137 7.419 7.117 162 HB2 CYS 21 1HB CYS 21 10.637 5.481 7.033 163 HB3 CYS 21 2HB CYS 21 9.542 6.362 5.973 164 H ASP 22 H ASP 22 13.013 8.349 5.332 165 HA ASP 22 HA ASP 22 11.559 10.605 4.199 166 HB2 ASP 22 1HB ASP 22 13.673 11.353 4.699 167 HB3 ASP 22 2HB ASP 22 14.420 9.792 4.369 168 H GLU 23 H GLU 23 12.864 7.496 3.262 169 HA GLU 23 HA GLU 23 12.952 7.615 0.541 170 HB2 GLU 23 1HB GLU 23 11.767 5.356 2.164 171 HB3 GLU 23 2HB GLU 23 12.355 5.232 0.512 172 HG2 GLU 23 1HG GLU 23 14.213 6.230 2.604 173 HG3 GLU 23 2HG GLU 23 13.833 4.509 2.559 174 H CYS 24 H CYS 24 10.037 6.865 2.451 175 HA CYS 24 HA CYS 24 8.416 7.562 0.093 176 HB2 CYS 24 1HB CYS 24 6.593 6.298 1.392 177 HB3 CYS 24 2HB CYS 24 7.884 5.346 0.668 178 H GLY 25 H GLY 25 8.519 7.856 3.638 179 HA2 GLY 25 1HA GLY 25 8.238 10.171 4.490 180 HA3 GLY 25 2HA GLY 25 6.897 10.313 3.364 181 H LYS 26 H LYS 26 7.630 7.516 5.380 182 HA LYS 26 HA LYS 26 4.998 7.828 6.636 183 HB2 LYS 26 1HB LYS 26 5.892 5.671 5.409 184 HB3 LYS 26 2HB LYS 26 6.674 5.372 6.956 185 HG2 LYS 26 1HG LYS 26 4.551 5.373 8.086 186 HG3 LYS 26 2HG LYS 26 3.720 5.834 6.598 187 HD2 LYS 26 1HD LYS 26 4.682 3.688 5.602 188 HD3 LYS 26 2HD LYS 26 5.069 3.230 7.262 189 HE2 LYS 26 1HE LYS 26 2.310 4.022 6.347 190 HE3 LYS 26 2HE LYS 26 2.882 2.355 6.383 191 HZ1 LYS 26 1HZ LYS 26 3.412 2.839 8.818 192 HZ2 LYS 26 2HZ LYS 26 1.788 2.625 8.397 193 HZ3 LYS 26 3HZ LYS 26 2.398 4.183 8.650 194 H SER 27 H SER 27 4.814 7.180 8.937 195 HA SER 27 HA SER 27 7.238 7.838 10.473 196 HB2 SER 27 1HB SER 27 5.815 9.089 12.072 197 HB3 SER 27 2HB SER 27 5.796 9.806 10.462 198 HG SER 27 HG SER 27 3.842 7.908 11.022 199 H PHE 28 H PHE 28 7.455 6.837 12.486 200 HA PHE 28 HA PHE 28 5.466 4.786 13.159 201 HB2 PHE 28 1HB PHE 28 8.452 4.300 13.098 202 HB3 PHE 28 2HB PHE 28 7.213 3.133 13.548 203 HD1 PHE 28 1HD PHE 28 8.480 5.172 10.728 204 HD2 PHE 28 2HD PHE 28 6.170 1.806 11.932 205 HE1 PHE 28 1HE PHE 28 8.319 4.449 8.382 206 HE2 PHE 28 2HE PHE 28 6.006 1.076 9.588 207 HZ PHE 28 HZ PHE 28 7.082 2.397 7.809 208 H SER 29 H SER 29 5.732 3.938 15.376 209 HA SER 29 HA SER 29 6.294 6.124 17.190 210 HB2 SER 29 1HB SER 29 5.252 3.341 17.770 211 HB3 SER 29 2HB SER 29 5.278 4.694 18.901 212 HG SER 29 HG SER 29 3.915 4.757 16.416 213 H HIS 30 H HIS 30 7.477 2.841 16.596 214 HA HIS 30 HA HIS 30 9.716 3.370 18.431 215 HB2 HIS 30 1HB HIS 30 8.087 1.285 18.595 216 HB3 HIS 30 2HB HIS 30 9.169 0.635 17.367 217 HD1 HIS 30 1HD HIS 30 11.509 -0.064 18.105 218 HD2 HIS 30 2HD HIS 30 9.264 1.668 21.142 219 HE1 HIS 30 1HE HIS 30 12.795 -0.496 20.223 220 H SER 31 H SER 31 11.838 2.961 17.777 221 HA SER 31 HA SER 31 12.409 3.545 15.066 222 HB2 SER 31 1HB SER 31 14.018 4.298 16.608 223 HB3 SER 31 2HB SER 31 14.102 2.735 17.420 224 HG SER 31 HG SER 31 14.825 2.920 14.716 225 H SER 32 H SER 32 12.902 0.593 16.997 226 HA SER 32 HA SER 32 14.028 -1.072 15.164 227 HB2 SER 32 1HB SER 32 13.619 -1.841 17.409 228 HB3 SER 32 2HB SER 32 11.874 -1.716 17.188 229 HG SER 32 HG SER 32 11.951 -3.424 15.760 230 H ASP 33 H ASP 33 10.606 -0.226 15.416 231 HA ASP 33 HA ASP 33 9.656 -1.987 13.435 232 HB2 ASP 33 1HB ASP 33 8.571 0.649 14.439 233 HB3 ASP 33 2HB ASP 33 7.703 -0.400 13.322 234 H LEU 34 H LEU 34 10.637 1.424 13.255 235 HA LEU 34 HA LEU 34 10.081 1.863 10.565 236 HB2 LEU 34 1HB LEU 34 10.592 3.757 11.811 237 HB3 LEU 34 2HB LEU 34 12.055 3.038 12.481 238 HG LEU 34 HG LEU 34 13.009 3.198 10.116 239 HD11 LEU 34 1HD1 LEU 34 11.636 3.870 8.510 240 HD12 LEU 34 2HD1 LEU 34 11.593 5.458 9.275 241 HD13 LEU 34 3HD1 LEU 34 10.372 4.252 9.679 242 HD21 LEU 34 1HD2 LEU 34 13.140 5.849 10.492 243 HD22 LEU 34 2HD2 LEU 34 14.053 4.689 11.457 244 HD23 LEU 34 3HD2 LEU 34 12.543 5.357 12.077 245 H SER 35 H SER 35 13.026 0.610 12.089 246 HA SER 35 HA SER 35 14.706 0.488 9.911 247 HB2 SER 35 1HB SER 35 15.408 -0.088 12.196 248 HB3 SER 35 2HB SER 35 14.448 -1.565 12.123 249 HG SER 35 HG SER 35 16.521 -2.121 11.595 250 H LYS 36 H LYS 36 12.282 -1.899 10.922 251 HA LYS 36 HA LYS 36 12.811 -3.757 8.860 252 HB2 LYS 36 1HB LYS 36 10.317 -3.291 10.503 253 HB3 LYS 36 2HB LYS 36 10.555 -4.667 9.434 254 HG2 LYS 36 1HG LYS 36 12.559 -5.280 10.783 255 HG3 LYS 36 2HG LYS 36 12.122 -3.995 11.913 256 HD2 LYS 36 1HD LYS 36 9.796 -5.209 11.908 257 HD3 LYS 36 2HD LYS 36 10.750 -6.587 11.354 258 HE2 LYS 36 1HE LYS 36 12.073 -6.578 13.312 259 HE3 LYS 36 2HE LYS 36 11.484 -4.987 13.792 260 HZ1 LYS 36 1HZ LYS 36 10.072 -6.129 15.065 261 HZ2 LYS 36 2HZ LYS 36 10.325 -7.582 14.236 262 HZ3 LYS 36 3HZ LYS 36 9.217 -6.451 13.641 263 H HIS 37 H HIS 37 10.441 -1.136 9.159 264 HA HIS 37 HA HIS 37 8.939 -1.509 6.898 265 HB2 HIS 37 1HB HIS 37 8.189 0.276 8.141 266 HB3 HIS 37 2HB HIS 37 9.810 0.910 8.408 267 HD1 HIS 37 1HD HIS 37 7.111 0.799 5.771 268 HD2 HIS 37 2HD HIS 37 10.604 2.868 6.652 269 HE1 HIS 37 1HE HIS 37 7.205 2.693 4.120 270 H ARG 38 H ARG 38 11.967 0.362 7.095 271 HA ARG 38 HA ARG 38 12.301 1.241 4.574 272 HB2 ARG 38 1HB ARG 38 14.199 0.177 6.596 273 HB3 ARG 38 2HB ARG 38 14.815 0.393 4.963 274 HG2 ARG 38 1HG ARG 38 15.328 2.399 5.990 275 HG3 ARG 38 2HG ARG 38 13.827 2.764 5.136 276 HD2 ARG 38 1HD ARG 38 12.605 2.910 7.062 277 HD3 ARG 38 2HD ARG 38 13.635 1.770 7.929 278 HE ARG 38 HE ARG 38 13.981 4.630 7.729 279 HH11 ARG 38 2HH1 ARG 38 15.477 1.570 8.449 280 HH12 ARG 38 1HH1 ARG 38 16.735 2.265 9.417 281 HH21 ARG 38 2HH2 ARG 38 15.632 5.557 9.001 282 HH22 ARG 38 1HH2 ARG 38 16.821 4.533 9.731 283 H ARG 39 H ARG 39 12.898 -2.085 5.646 284 HA ARG 39 HA ARG 39 14.035 -3.296 3.543 285 HB2 ARG 39 1HB ARG 39 11.563 -4.340 4.938 286 HB3 ARG 39 2HB ARG 39 12.721 -5.307 4.033 287 HG2 ARG 39 1HG ARG 39 13.741 -3.664 6.284 288 HG3 ARG 39 2HG ARG 39 12.812 -5.116 6.662 289 HD2 ARG 39 1HD ARG 39 15.260 -4.995 4.903 290 HD3 ARG 39 2HD ARG 39 15.220 -5.568 6.569 291 HE ARG 39 HE ARG 39 13.439 -6.931 4.737 292 HH11 ARG 39 2HH1 ARG 39 16.563 -6.868 6.274 293 HH12 ARG 39 1HH1 ARG 39 16.857 -8.559 6.040 294 HH21 ARG 39 2HH2 ARG 39 13.815 -9.159 4.423 295 HH22 ARG 39 1HH2 ARG 39 15.294 -9.861 4.986 296 H THR 40 H THR 40 10.571 -2.508 3.710 297 HA THR 40 HA THR 40 9.525 -3.527 1.472 298 HB THR 40 HB THR 40 8.092 -1.562 1.222 299 HG1 THR 40 1HG THR 40 9.226 0.236 1.524 300 HG21 THR 40 1HG2 THR 40 8.552 -2.966 3.695 301 HG22 THR 40 2HG2 THR 40 7.031 -2.431 2.981 302 HG23 THR 40 3HG2 THR 40 7.954 -1.339 4.013 303 H HIS 41 H HIS 41 11.544 -0.601 1.523 304 HA HIS 41 HA HIS 41 11.472 -0.231 -1.301 305 HB2 HIS 41 1HB HIS 41 13.578 0.832 0.581 306 HB3 HIS 41 2HB HIS 41 13.063 1.515 -0.959 307 HD1 HIS 41 1HD HIS 41 10.426 2.335 -0.928 308 HD2 HIS 41 2HD HIS 41 12.384 1.981 2.719 309 HE1 HIS 41 1HE HIS 41 9.074 3.698 0.696 310 H THR 42 H THR 42 12.072 -2.167 -2.272 311 HA THR 42 HA THR 42 14.863 -3.009 -1.848 312 HB THR 42 HB THR 42 14.166 -5.169 -2.916 313 HG1 THR 42 1HG THR 42 12.298 -4.682 -3.974 314 HG21 THR 42 1HG2 THR 42 12.365 -5.378 -0.760 315 HG22 THR 42 2HG2 THR 42 13.581 -4.192 -0.283 316 HG23 THR 42 3HG2 THR 42 14.075 -5.809 -0.784 317 H GLY 43 H GLY 43 12.393 -2.834 -4.424 318 HA2 GLY 43 1HA GLY 43 14.359 -1.667 -6.220 319 HA3 GLY 43 2HA GLY 43 13.769 -3.258 -6.677 320 H GLU 44 H GLU 44 11.792 -3.461 -7.618 321 HA GLU 44 HA GLU 44 10.656 -1.231 -8.875 322 HB2 GLU 44 1HB GLU 44 8.905 -2.723 -9.616 323 HB3 GLU 44 2HB GLU 44 10.449 -3.562 -9.689 324 HG2 GLU 44 1HG GLU 44 8.587 -3.836 -7.354 325 HG3 GLU 44 2HG GLU 44 8.469 -4.858 -8.785 326 H LYS 45 H LYS 45 8.100 -0.974 -8.685 327 HA LYS 45 HA LYS 45 6.636 0.320 -7.447 328 HB2 LYS 45 1HB LYS 45 6.779 -2.428 -6.317 329 HB3 LYS 45 2HB LYS 45 5.844 -1.236 -5.423 330 HG2 LYS 45 1HG LYS 45 4.259 -1.043 -7.062 331 HG3 LYS 45 2HG LYS 45 5.371 -1.520 -8.347 332 HD2 LYS 45 1HD LYS 45 4.573 -3.475 -6.222 333 HD3 LYS 45 2HD LYS 45 3.513 -3.169 -7.601 334 HE2 LYS 45 1HE LYS 45 5.384 -3.728 -9.114 335 HE3 LYS 45 2HE LYS 45 6.377 -4.113 -7.709 336 HZ1 LYS 45 1HZ LYS 45 5.560 -6.154 -7.814 337 HZ2 LYS 45 2HZ LYS 45 4.472 -5.729 -9.037 338 HZ3 LYS 45 3HZ LYS 45 4.033 -5.545 -7.414 339 HA PRO 46 HA PRO 46 9.834 1.381 -4.136 340 HB2 PRO 46 1HB PRO 46 10.581 3.777 -5.171 341 HB3 PRO 46 2HB PRO 46 11.378 2.257 -5.594 342 HG2 PRO 46 1HG PRO 46 9.287 3.781 -7.099 343 HG3 PRO 46 2HG PRO 46 10.750 2.988 -7.710 344 HD2 PRO 46 1HD PRO 46 8.293 1.864 -7.903 345 HD3 PRO 46 2HD PRO 46 9.771 0.901 -7.704 346 H TYR 47 H TYR 47 6.894 2.365 -5.288 347 HA TYR 47 HA TYR 47 6.628 4.421 -3.193 348 HB2 TYR 47 1HB TYR 47 5.095 4.237 -5.795 349 HB3 TYR 47 2HB TYR 47 4.879 5.469 -4.556 350 HD1 TYR 47 2HD TYR 47 6.584 7.199 -4.214 351 HD2 TYR 47 1HD TYR 47 6.960 4.313 -7.317 352 HE1 TYR 47 2HE TYR 47 8.304 8.590 -5.291 353 HE2 TYR 47 1HE TYR 47 8.682 5.695 -8.402 354 HH TYR 47 HH TYR 47 10.022 7.480 -8.177 355 H LYS 48 H LYS 48 5.050 4.169 -1.717 356 HA LYS 48 HA LYS 48 2.870 2.302 -2.197 357 HB2 LYS 48 1HB LYS 48 4.877 1.071 -1.168 358 HB3 LYS 48 2HB LYS 48 4.534 1.988 0.294 359 HG2 LYS 48 1HG LYS 48 2.323 1.015 0.426 360 HG3 LYS 48 2HG LYS 48 2.588 0.154 -1.092 361 HD2 LYS 48 1HD LYS 48 4.159 -1.286 -0.139 362 HD3 LYS 48 2HD LYS 48 4.434 -0.221 1.242 363 HE2 LYS 48 1HE LYS 48 1.926 -0.685 1.754 364 HE3 LYS 48 2HE LYS 48 2.153 -2.081 0.703 365 HZ1 LYS 48 1HZ LYS 48 2.520 -2.474 3.138 366 HZ2 LYS 48 2HZ LYS 48 3.911 -1.518 3.020 367 HZ3 LYS 48 3HZ LYS 48 3.792 -2.953 2.131 368 H CYS 49 H CYS 49 1.052 2.699 -0.959 369 HA CYS 49 HA CYS 49 0.997 5.298 0.338 370 HB2 CYS 49 1HB CYS 49 -0.781 4.764 -1.241 371 HB3 CYS 49 2HB CYS 49 -1.217 3.338 -0.304 372 H ASP 50 H ASP 50 -0.162 5.568 2.405 373 HA ASP 50 HA ASP 50 0.542 3.392 4.252 374 HB2 ASP 50 1HB ASP 50 0.062 6.323 4.837 375 HB3 ASP 50 2HB ASP 50 0.567 5.107 6.007 376 H GLU 51 H GLU 51 -2.041 5.618 3.352 377 HA GLU 51 HA GLU 51 -3.883 4.868 5.345 378 HB2 GLU 51 1HB GLU 51 -4.302 6.010 2.581 379 HB3 GLU 51 2HB GLU 51 -5.597 5.795 3.750 380 HG2 GLU 51 1HG GLU 51 -3.956 7.188 5.283 381 HG3 GLU 51 2HG GLU 51 -3.372 7.753 3.719 382 H CYS 52 H CYS 52 -3.778 3.905 1.909 383 HA CYS 52 HA CYS 52 -5.577 1.691 2.451 384 HB2 CYS 52 1HB CYS 52 -5.679 1.391 0.078 385 HB3 CYS 52 2HB CYS 52 -5.763 3.122 0.390 386 H GLY 53 H GLY 53 -2.249 2.177 1.305 387 HA2 GLY 53 1HA GLY 53 -0.427 0.794 1.872 388 HA3 GLY 53 2HA GLY 53 -1.559 -0.459 2.360 389 H LYS 54 H LYS 54 -1.234 1.350 -0.684 390 HA LYS 54 HA LYS 54 -0.899 -1.236 -2.059 391 HB2 LYS 54 1HB LYS 54 -3.066 0.082 -2.439 392 HB3 LYS 54 2HB LYS 54 -2.072 1.237 -3.319 393 HG2 LYS 54 1HG LYS 54 -1.312 -0.716 -4.743 394 HG3 LYS 54 2HG LYS 54 -2.616 -1.638 -3.991 395 HD2 LYS 54 1HD LYS 54 -3.057 0.999 -5.377 396 HD3 LYS 54 2HD LYS 54 -3.159 -0.554 -6.211 397 HE2 LYS 54 1HE LYS 54 -4.789 0.214 -3.792 398 HE3 LYS 54 2HE LYS 54 -5.357 0.312 -5.458 399 HZ1 LYS 54 1HZ LYS 54 -5.631 -1.834 -3.841 400 HZ2 LYS 54 2HZ LYS 54 -4.273 -2.258 -4.756 401 HZ3 LYS 54 3HZ LYS 54 -5.727 -1.873 -5.530 402 H ALA 55 H ALA 55 0.485 -1.299 -3.882 403 HA ALA 55 HA ALA 55 2.582 0.754 -3.799 404 HB1 ALA 55 1HB ALA 55 3.884 -1.020 -5.101 405 HB2 ALA 55 2HB ALA 55 3.540 -1.343 -3.401 406 HB3 ALA 55 3HB ALA 55 2.579 -2.121 -4.659 407 H PHE 56 H PHE 56 3.393 1.687 -5.695 408 HA PHE 56 HA PHE 56 1.803 1.268 -8.131 409 HB2 PHE 56 1HB PHE 56 2.655 3.985 -7.117 410 HB3 PHE 56 2HB PHE 56 1.655 3.644 -8.525 411 HD1 PHE 56 2HD PHE 56 1.757 3.756 -4.865 412 HD2 PHE 56 1HD PHE 56 -0.671 3.106 -8.300 413 HE1 PHE 56 2HE PHE 56 -0.260 3.921 -3.466 414 HE2 PHE 56 1HE PHE 56 -2.692 3.272 -6.907 415 HZ PHE 56 HZ PHE 56 -2.488 3.678 -4.486 416 H ILE 57 H ILE 57 2.913 2.580 -10.002 417 HA ILE 57 HA ILE 57 5.688 1.678 -10.045 418 HB ILE 57 HB ILE 57 4.030 2.770 -12.319 419 HG12 ILE 57 1HG1 ILE 57 2.993 0.746 -11.499 420 HG13 ILE 57 2HG1 ILE 57 3.833 0.378 -13.002 421 HG21 ILE 57 1HG2 ILE 57 6.572 1.153 -12.386 422 HG22 ILE 57 2HG2 ILE 57 5.719 1.854 -13.760 423 HG23 ILE 57 3HG2 ILE 57 6.496 2.905 -12.577 424 HD11 ILE 57 1HD1 ILE 57 4.796 -0.230 -10.218 425 HD12 ILE 57 2HD1 ILE 57 4.182 -1.385 -11.402 426 HD13 ILE 57 3HD1 ILE 57 5.702 -0.542 -11.698 427 H GLN 58 H GLN 58 4.093 4.510 -11.502 428 HA GLN 58 HA GLN 58 6.490 6.083 -11.028 429 HB2 GLN 58 1HB GLN 58 3.920 6.774 -12.461 430 HB3 GLN 58 2HB GLN 58 5.341 7.807 -12.382 431 HG2 GLN 58 1HG GLN 58 5.381 5.041 -13.555 432 HG3 GLN 58 2HG GLN 58 5.054 6.493 -14.500 433 HE21 GLN 58 1HE2 GLN 58 7.239 4.589 -14.731 434 HE22 GLN 58 2HE2 GLN 58 8.695 5.498 -14.536 435 H ARG 59 H ARG 59 6.414 8.185 -10.029 436 HA ARG 59 HA ARG 59 5.234 8.213 -7.517 437 HB2 ARG 59 1HB ARG 59 7.158 9.659 -8.533 438 HB3 ARG 59 2HB ARG 59 5.862 10.775 -8.941 439 HG2 ARG 59 1HG ARG 59 5.206 10.697 -6.499 440 HG3 ARG 59 2HG ARG 59 6.739 9.869 -6.217 441 HD2 ARG 59 1HD ARG 59 6.660 12.460 -7.714 442 HD3 ARG 59 2HD ARG 59 6.613 12.446 -5.952 443 HE ARG 59 HE ARG 59 8.741 10.914 -6.425 444 HH11 ARG 59 2HH1 ARG 59 7.791 13.976 -7.782 445 HH12 ARG 59 1HH1 ARG 59 9.418 14.506 -8.058 446 HH21 ARG 59 2HH2 ARG 59 10.886 11.601 -6.782 447 HH22 ARG 59 1HH2 ARG 59 11.177 13.154 -7.489 448 H SER 60 H SER 60 4.181 9.837 -10.495 449 HA SER 60 HA SER 60 2.066 11.312 -9.619 450 HB2 SER 60 1HB SER 60 2.331 9.664 -12.136 451 HB3 SER 60 2HB SER 60 0.976 10.757 -11.853 452 HG SER 60 HG SER 60 3.111 11.472 -12.962 453 H HIS 61 H HIS 61 2.105 7.828 -10.216 454 HA HIS 61 HA HIS 61 -0.557 7.202 -9.967 455 HB2 HIS 61 1HB HIS 61 1.763 5.636 -8.817 456 HB3 HIS 61 2HB HIS 61 0.159 4.996 -9.162 457 HD1 HIS 61 1HD HIS 61 1.430 3.279 -10.743 458 HD2 HIS 61 2HD HIS 61 1.553 7.255 -11.942 459 HE1 HIS 61 1HE HIS 61 2.153 3.234 -13.152 460 H LEU 62 H LEU 62 1.790 7.743 -7.368 461 HA LEU 62 HA LEU 62 -0.157 7.265 -5.301 462 HB2 LEU 62 1HB LEU 62 2.304 6.808 -5.099 463 HB3 LEU 62 2HB LEU 62 2.552 8.551 -5.036 464 HG LEU 62 HG LEU 62 1.067 8.561 -2.988 465 HD11 LEU 62 1HD1 LEU 62 0.276 6.145 -3.636 466 HD12 LEU 62 2HD1 LEU 62 0.417 6.630 -1.946 467 HD13 LEU 62 3HD1 LEU 62 1.689 5.665 -2.694 468 HD21 LEU 62 1HD2 LEU 62 3.276 8.884 -2.465 469 HD22 LEU 62 2HD2 LEU 62 3.782 7.347 -3.166 470 HD23 LEU 62 3HD2 LEU 62 2.959 7.377 -1.605 471 H ILE 63 H ILE 63 1.587 10.113 -6.528 472 HA ILE 63 HA ILE 63 0.719 12.110 -4.944 473 HB ILE 63 HB ILE 63 0.746 12.234 -7.962 474 HG12 ILE 63 1HG1 ILE 63 2.911 12.931 -5.967 475 HG13 ILE 63 2HG1 ILE 63 2.869 11.455 -6.925 476 HG21 ILE 63 1HG2 ILE 63 0.632 14.516 -7.856 477 HG22 ILE 63 2HG2 ILE 63 -0.381 14.092 -6.477 478 HG23 ILE 63 3HG2 ILE 63 1.293 14.584 -6.222 479 HD11 ILE 63 1HD1 ILE 63 3.367 14.263 -7.805 480 HD12 ILE 63 2HD1 ILE 63 4.316 12.807 -8.107 481 HD13 ILE 63 3HD1 ILE 63 2.786 13.053 -8.948 482 H GLY 64 H GLY 64 -1.107 11.129 -7.857 483 HA2 GLY 64 1HA GLY 64 -3.423 12.608 -7.116 484 HA3 GLY 64 2HA GLY 64 -3.328 11.402 -8.391 485 H HIS 65 H HIS 65 -2.609 9.157 -6.937 486 HA HIS 65 HA HIS 65 -4.975 8.058 -6.163 487 HB2 HIS 65 1HB HIS 65 -3.278 6.501 -6.350 488 HB3 HIS 65 2HB HIS 65 -2.141 7.471 -5.420 489 HD1 HIS 65 1HD HIS 65 -5.411 5.644 -4.708 490 HD2 HIS 65 2HD HIS 65 -1.715 6.421 -2.976 491 HE1 HIS 65 1HE HIS 65 -5.424 4.413 -2.515 492 H HIS 66 H HIS 66 -2.642 9.673 -4.023 493 HA HIS 66 HA HIS 66 -3.698 9.322 -1.566 494 HB2 HIS 66 1HB HIS 66 -2.414 11.678 -2.868 495 HB3 HIS 66 2HB HIS 66 -3.136 11.905 -1.278 496 HD1 HIS 66 1HD HIS 66 -0.100 10.774 -2.904 497 HD2 HIS 66 2HD HIS 66 -2.001 10.065 0.722 498 HE1 HIS 66 1HE HIS 66 1.656 9.771 -1.409 499 H ARG 67 H ARG 67 -4.999 11.424 -4.077 500 HA ARG 67 HA ARG 67 -6.907 12.810 -2.619 501 HB2 ARG 67 1HB ARG 67 -6.201 12.842 -5.187 502 HB3 ARG 67 2HB ARG 67 -7.644 11.848 -5.340 503 HG2 ARG 67 1HG ARG 67 -8.996 13.589 -4.353 504 HG3 ARG 67 2HG ARG 67 -7.560 14.576 -4.068 505 HD2 ARG 67 1HD ARG 67 -8.762 15.329 -6.051 506 HD3 ARG 67 2HD ARG 67 -7.168 14.706 -6.475 507 HE ARG 67 HE ARG 67 -8.762 12.556 -6.813 508 HH11 ARG 67 2HH1 ARG 67 -8.938 15.843 -7.946 509 HH12 ARG 67 1HH1 ARG 67 -9.765 15.431 -9.412 510 HH21 ARG 67 2HH2 ARG 67 -9.850 12.001 -8.739 511 HH22 ARG 67 1HH2 ARG 67 -10.284 13.245 -9.862 512 H VAL 68 H VAL 68 -7.121 9.606 -4.113 513 HA VAL 68 HA VAL 68 -9.718 8.933 -3.911 514 HB VAL 68 HB VAL 68 -7.655 7.447 -4.456 515 HG11 VAL 68 1HG1 VAL 68 -8.061 6.870 -1.526 516 HG12 VAL 68 2HG1 VAL 68 -7.172 5.819 -2.630 517 HG13 VAL 68 3HG1 VAL 68 -6.594 7.455 -2.308 518 HG21 VAL 68 1HG2 VAL 68 -10.344 6.947 -4.068 519 HG22 VAL 68 2HG2 VAL 68 -9.186 5.869 -4.847 520 HG23 VAL 68 3HG2 VAL 68 -9.546 5.684 -3.130 521 H HIS 69 H HIS 69 -7.532 9.434 -1.229 522 HA HIS 69 HA HIS 69 -9.630 8.662 0.671 523 HB2 HIS 69 1HB HIS 69 -6.790 9.395 1.366 524 HB3 HIS 69 2HB HIS 69 -7.943 8.475 2.328 525 HD1 HIS 69 1HD HIS 69 -8.710 6.129 0.936 526 HD2 HIS 69 2HD HIS 69 -4.967 7.783 0.214 527 HE1 HIS 69 1HE HIS 69 -7.334 4.272 -0.056 528 H THR 70 H THR 70 -7.087 11.158 0.697 529 HA THR 70 HA THR 70 -9.149 13.133 1.419 530 HB THR 70 HB THR 70 -6.368 13.028 2.603 531 HG1 THR 70 1HG THR 70 -7.963 11.367 3.303 532 HG21 THR 70 1HG2 THR 70 -6.990 15.262 2.685 533 HG22 THR 70 2HG2 THR 70 -7.579 14.657 4.233 534 HG23 THR 70 3HG2 THR 70 -8.699 14.884 2.891 535 H GLY 71 H GLY 71 -5.673 12.994 0.590 536 HA2 GLY 71 1HA GLY 71 -5.368 13.941 -1.808 537 HA3 GLY 71 2HA GLY 71 -6.060 15.382 -1.078 538 H SER 72 H SER 72 -4.785 16.725 0.096 539 HA SER 72 HA SER 72 -1.973 15.906 0.433 540 HB2 SER 72 1HB SER 72 -1.345 18.257 0.084 541 HB3 SER 72 2HB SER 72 -2.227 17.627 -1.307 542 HG SER 72 HG SER 72 -3.507 19.257 -1.009 543 H GLY 73 H GLY 73 -2.401 15.160 2.560 544 HA2 GLY 73 1HA GLY 73 -2.532 15.360 4.843 545 HA3 GLY 73 2HA GLY 73 -1.862 16.967 4.603 546 HA PRO 74 HA PRO 74 -5.915 17.711 6.556 547 HB2 PRO 74 1HB PRO 74 -5.133 20.004 7.781 548 HB3 PRO 74 2HB PRO 74 -4.827 18.400 8.459 549 HG2 PRO 74 1HG PRO 74 -2.987 20.188 6.916 550 HG3 PRO 74 2HG PRO 74 -2.654 19.223 8.366 551 HD2 PRO 74 1HD PRO 74 -1.935 18.417 5.883 552 HD3 PRO 74 2HD PRO 74 -2.392 17.275 7.162 553 H SER 75 H SER 75 -6.749 18.114 4.406 554 HA SER 75 HA SER 75 -6.724 20.974 3.692 555 HB2 SER 75 1HB SER 75 -5.672 19.182 2.081 556 HB3 SER 75 2HB SER 75 -7.355 18.855 1.667 557 HG SER 75 HG SER 75 -6.332 20.468 0.335 558 H SER 76 H SER 76 -8.666 21.927 3.079 559 HA SER 76 HA SER 76 -10.993 20.893 4.332 560 HB2 SER 76 1HB SER 76 -12.068 22.891 3.658 561 HB3 SER 76 2HB SER 76 -10.386 23.350 3.925 562 HG SER 76 HG SER 76 -11.162 24.189 1.960 563 H GLY 77 H GLY 77 -12.469 19.524 3.583 564 HA2 GLY 77 1HA GLY 77 -13.887 18.475 2.078 565 HA3 GLY 77 2HA GLY 77 -13.210 19.468 0.797 Start of MODEL 5 1 H1 GLY 1 H GLY 1 2.918 39.829 -12.740 2 HA2 GLY 1 1HA GLY 1 0.930 41.513 -11.454 3 HA3 GLY 1 2HA GLY 1 0.319 40.470 -12.729 4 H SER 2 H SER 2 -0.406 40.401 -9.952 5 HA SER 2 HA SER 2 0.196 37.597 -9.439 6 HB2 SER 2 1HB SER 2 0.600 39.724 -7.322 7 HB3 SER 2 2HB SER 2 0.791 37.985 -7.102 8 HG SER 2 HG SER 2 2.681 39.562 -7.708 9 H SER 3 H SER 3 -1.214 36.684 -7.732 10 HA SER 3 HA SER 3 -3.540 38.163 -6.926 11 HB2 SER 3 1HB SER 3 -5.170 36.710 -8.112 12 HB3 SER 3 2HB SER 3 -4.202 37.684 -9.219 13 HG SER 3 HG SER 3 -2.885 35.442 -8.860 14 H GLY 4 H GLY 4 -5.091 36.752 -5.711 15 HA2 GLY 4 1HA GLY 4 -5.378 34.488 -4.726 16 HA3 GLY 4 2HA GLY 4 -3.639 34.496 -4.471 17 H SER 5 H SER 5 -5.924 34.235 -2.580 18 HA SER 5 HA SER 5 -4.882 36.011 -0.562 19 HB2 SER 5 1HB SER 5 -7.093 36.996 0.002 20 HB3 SER 5 2HB SER 5 -6.515 37.498 -1.586 21 HG SER 5 HG SER 5 -8.508 35.584 -0.973 22 H SER 6 H SER 6 -5.225 35.260 1.496 23 HA SER 6 HA SER 6 -7.154 33.168 2.009 24 HB2 SER 6 1HB SER 6 -5.124 32.006 1.043 25 HB3 SER 6 2HB SER 6 -4.226 32.560 2.456 26 HG SER 6 HG SER 6 -5.327 30.371 2.456 27 H GLY 7 H GLY 7 -7.888 33.310 4.039 28 HA2 GLY 7 1HA GLY 7 -6.184 34.253 6.187 29 HA3 GLY 7 2HA GLY 7 -7.490 35.345 5.752 30 H ARG 8 H ARG 8 -7.186 31.816 6.182 31 HA ARG 8 HA ARG 8 -9.121 31.901 8.346 32 HB2 ARG 8 1HB ARG 8 -9.643 30.455 5.746 33 HB3 ARG 8 2HB ARG 8 -10.520 30.125 7.235 34 HG2 ARG 8 1HG ARG 8 -11.063 32.641 7.219 35 HG3 ARG 8 2HG ARG 8 -10.570 32.578 5.526 36 HD2 ARG 8 1HD ARG 8 -12.515 30.561 6.540 37 HD3 ARG 8 2HD ARG 8 -13.077 32.203 6.230 38 HE ARG 8 HE ARG 8 -12.284 30.233 4.273 39 HH11 ARG 8 2HH1 ARG 8 -12.848 33.605 4.931 40 HH12 ARG 8 1HH1 ARG 8 -13.106 34.021 3.269 41 HH21 ARG 8 2HH2 ARG 8 -12.622 30.768 2.082 42 HH22 ARG 8 1HH2 ARG 8 -12.978 32.406 1.649 43 H SER 9 H SER 9 -9.253 29.909 9.530 44 HA SER 9 HA SER 9 -6.758 28.615 9.810 45 HB2 SER 9 1HB SER 9 -7.743 27.403 11.582 46 HB3 SER 9 2HB SER 9 -8.590 28.949 11.581 47 HG SER 9 HG SER 9 -9.975 27.479 9.976 48 H GLU 10 H GLU 10 -5.958 26.790 8.959 49 HA GLU 10 HA GLU 10 -7.758 24.946 7.569 50 HB2 GLU 10 1HB GLU 10 -6.237 24.836 5.633 51 HB3 GLU 10 2HB GLU 10 -6.942 26.435 5.830 52 HG2 GLU 10 1HG GLU 10 -4.789 27.020 5.426 53 HG3 GLU 10 2HG GLU 10 -4.722 26.869 7.181 54 H TRP 11 H TRP 11 -6.935 22.824 7.319 55 HA TRP 11 HA TRP 11 -5.550 21.784 9.464 56 HB2 TRP 11 1HB TRP 11 -5.417 19.719 8.242 57 HB3 TRP 11 2HB TRP 11 -6.943 20.494 7.826 58 HD1 TRP 11 HD TRP 11 -7.211 21.424 5.329 59 HE1 TRP 11 1HE TRP 11 -5.939 20.896 3.155 60 HE3 TRP 11 3HE TRP 11 -3.104 19.131 7.330 61 HZ2 TRP 11 2HZ TRP 11 -3.514 19.670 2.390 62 HZ3 TRP 11 3HZ TRP 11 -1.354 18.309 5.809 63 HH2 TRP 11 HH TRP 11 -1.557 18.573 3.390 64 H GLN 12 H GLN 12 -3.437 20.888 9.687 65 HA GLN 12 HA GLN 12 -1.420 21.948 7.834 66 HB2 GLN 12 1HB GLN 12 -1.675 23.389 9.903 67 HB3 GLN 12 2HB GLN 12 -1.087 22.017 10.832 68 HG2 GLN 12 1HG GLN 12 1.043 22.183 9.993 69 HG3 GLN 12 2HG GLN 12 0.516 23.005 8.525 70 HE21 GLN 12 1HE2 GLN 12 0.834 25.110 8.424 71 HE22 GLN 12 2HE2 GLN 12 1.138 26.156 9.765 72 H GLN 13 H GLN 13 -1.694 19.954 10.783 73 HA GLN 13 HA GLN 13 -0.246 17.822 9.379 74 HB2 GLN 13 1HB GLN 13 1.164 17.397 11.280 75 HB3 GLN 13 2HB GLN 13 1.326 19.091 10.838 76 HG2 GLN 13 1HG GLN 13 -0.382 19.585 12.635 77 HG3 GLN 13 2HG GLN 13 -0.164 17.917 13.163 78 HE21 GLN 13 1HE2 GLN 13 0.733 18.389 15.121 79 HE22 GLN 13 2HE2 GLN 13 2.288 19.118 15.307 80 H ARG 14 H ARG 14 -1.134 15.864 9.609 81 HA ARG 14 HA ARG 14 -3.534 15.604 11.190 82 HB2 ARG 14 1HB ARG 14 -3.712 13.384 10.152 83 HB3 ARG 14 2HB ARG 14 -3.458 14.642 8.951 84 HG2 ARG 14 1HG ARG 14 -0.925 13.950 9.308 85 HG3 ARG 14 2HG ARG 14 -1.678 12.429 9.791 86 HD2 ARG 14 1HD ARG 14 -2.595 12.067 7.698 87 HD3 ARG 14 2HD ARG 14 -2.528 13.775 7.263 88 HE ARG 14 HE ARG 14 -0.372 13.477 6.530 89 HH11 ARG 14 2HH1 ARG 14 -1.376 10.693 8.363 90 HH12 ARG 14 1HH1 ARG 14 0.008 9.745 7.928 91 HH21 ARG 14 2HH2 ARG 14 1.454 12.239 5.950 92 HH22 ARG 14 1HH2 ARG 14 1.617 10.626 6.556 93 H GLU 15 H GLU 15 -0.295 14.166 11.145 94 HA GLU 15 HA GLU 15 -0.402 13.683 13.971 95 HB2 GLU 15 1HB GLU 15 -1.598 11.709 12.744 96 HB3 GLU 15 2HB GLU 15 0.037 11.216 12.327 97 HG2 GLU 15 1HG GLU 15 0.633 10.949 14.604 98 HG3 GLU 15 2HG GLU 15 -0.849 11.731 15.150 99 H ARG 16 H ARG 16 1.601 13.656 14.842 100 HA ARG 16 HA ARG 16 3.881 13.434 12.988 101 HB2 ARG 16 1HB ARG 16 5.046 15.136 14.316 102 HB3 ARG 16 2HB ARG 16 3.550 15.765 13.637 103 HG2 ARG 16 1HG ARG 16 3.375 16.578 15.749 104 HG3 ARG 16 2HG ARG 16 2.588 15.016 15.979 105 HD2 ARG 16 1HD ARG 16 4.041 14.954 17.732 106 HD3 ARG 16 2HD ARG 16 5.072 14.254 16.485 107 HE ARG 16 HE ARG 16 6.397 16.126 16.568 108 HH11 ARG 16 2HH1 ARG 16 3.409 16.744 18.245 109 HH12 ARG 16 1HH1 ARG 16 3.940 18.256 18.903 110 HH21 ARG 16 2HH2 ARG 16 7.107 18.115 17.429 111 HH22 ARG 16 1HH2 ARG 16 6.043 19.035 18.438 112 H ARG 17 H ARG 17 5.785 12.502 13.798 113 HA ARG 17 HA ARG 17 5.756 11.391 16.487 114 HB2 ARG 17 1HB ARG 17 5.574 9.768 13.984 115 HB3 ARG 17 2HB ARG 17 6.513 9.143 15.333 116 HG2 ARG 17 1HG ARG 17 3.729 10.104 15.800 117 HG3 ARG 17 2HG ARG 17 4.003 8.516 15.079 118 HD2 ARG 17 1HD ARG 17 5.261 7.792 16.973 119 HD3 ARG 17 2HD ARG 17 5.284 9.420 17.650 120 HE ARG 17 HE ARG 17 2.626 8.452 17.308 121 HH11 ARG 17 2HH1 ARG 17 5.424 8.270 19.371 122 HH12 ARG 17 1HH1 ARG 17 4.515 7.863 20.789 123 HH21 ARG 17 2HH2 ARG 17 1.418 7.917 19.167 124 HH22 ARG 17 1HH2 ARG 17 2.236 7.661 20.671 125 H ARG 18 H ARG 18 7.799 10.860 17.277 126 HA ARG 18 HA ARG 18 9.940 12.350 16.736 127 HB2 ARG 18 1HB ARG 18 9.573 10.296 18.390 128 HB3 ARG 18 2HB ARG 18 10.571 9.476 17.197 129 HG2 ARG 18 1HG ARG 18 12.063 11.655 17.540 130 HG3 ARG 18 2HG ARG 18 11.272 11.610 19.117 131 HD2 ARG 18 1HD ARG 18 12.492 9.127 17.990 132 HD3 ARG 18 2HD ARG 18 13.521 10.344 18.744 133 HE ARG 18 HE ARG 18 11.261 9.544 20.343 134 HH11 ARG 18 2HH1 ARG 18 14.578 8.893 19.509 135 HH12 ARG 18 1HH1 ARG 18 14.925 8.067 20.991 136 HH21 ARG 18 2HH2 ARG 18 11.706 8.459 22.299 137 HH22 ARG 18 1HH2 ARG 18 13.291 7.819 22.578 138 H TYR 19 H TYR 19 9.602 9.104 15.288 139 HA TYR 19 HA TYR 19 10.990 10.111 12.903 140 HB2 TYR 19 1HB TYR 19 11.645 7.612 14.462 141 HB3 TYR 19 2HB TYR 19 12.155 7.850 12.795 142 HD1 TYR 19 2HD TYR 19 12.232 9.702 16.046 143 HD2 TYR 19 1HD TYR 19 14.280 8.674 12.460 144 HE1 TYR 19 2HE TYR 19 14.214 10.927 16.833 145 HE2 TYR 19 1HE TYR 19 16.267 9.896 13.238 146 HH TYR 19 HH TYR 19 17.135 11.179 14.828 147 H LYS 20 H LYS 20 9.897 9.697 11.108 148 HA LYS 20 HA LYS 20 8.024 7.422 11.090 149 HB2 LYS 20 1HB LYS 20 6.957 9.723 11.200 150 HB3 LYS 20 2HB LYS 20 7.607 10.008 9.591 151 HG2 LYS 20 1HG LYS 20 6.209 8.447 8.607 152 HG3 LYS 20 2HG LYS 20 5.910 7.607 10.131 153 HD2 LYS 20 1HD LYS 20 4.502 9.355 10.914 154 HD3 LYS 20 2HD LYS 20 4.988 10.424 9.596 155 HE2 LYS 20 1HE LYS 20 3.969 8.773 8.008 156 HE3 LYS 20 2HE LYS 20 3.332 7.912 9.409 157 HZ1 LYS 20 1HZ LYS 20 1.578 9.252 8.985 158 HZ2 LYS 20 2HZ LYS 20 2.511 10.466 8.266 159 HZ3 LYS 20 3HZ LYS 20 2.451 10.332 9.951 160 H CYS 21 H CYS 21 7.515 6.611 8.898 161 HA CYS 21 HA CYS 21 9.892 6.775 7.168 162 HB2 CYS 21 1HB CYS 21 9.305 4.549 8.245 163 HB3 CYS 21 2HB CYS 21 7.875 4.531 7.218 164 H ASP 22 H ASP 22 9.003 8.672 6.143 165 HA ASP 22 HA ASP 22 6.638 9.147 4.982 166 HB2 ASP 22 1HB ASP 22 8.754 10.525 4.768 167 HB3 ASP 22 2HB ASP 22 9.197 9.485 3.417 168 H GLU 23 H GLU 23 9.000 6.807 3.837 169 HA GLU 23 HA GLU 23 8.111 6.172 1.344 170 HB2 GLU 23 1HB GLU 23 8.887 4.168 3.471 171 HB3 GLU 23 2HB GLU 23 8.903 3.890 1.735 172 HG2 GLU 23 1HG GLU 23 10.560 6.007 3.076 173 HG3 GLU 23 2HG GLU 23 11.129 4.363 2.791 174 H CYS 24 H CYS 24 6.857 4.736 4.358 175 HA CYS 24 HA CYS 24 4.406 4.024 2.885 176 HB2 CYS 24 1HB CYS 24 4.146 2.375 4.885 177 HB3 CYS 24 2HB CYS 24 5.262 1.978 3.582 178 H GLY 25 H GLY 25 5.674 5.193 5.982 179 HA2 GLY 25 1HA GLY 25 4.538 7.176 6.908 180 HA3 GLY 25 2HA GLY 25 3.021 6.392 6.491 181 H LYS 26 H LYS 26 5.791 4.771 7.924 182 HA LYS 26 HA LYS 26 4.143 4.236 10.303 183 HB2 LYS 26 1HB LYS 26 6.139 2.635 8.786 184 HB3 LYS 26 2HB LYS 26 6.071 2.398 10.527 185 HG2 LYS 26 1HG LYS 26 4.008 1.439 10.458 186 HG3 LYS 26 2HG LYS 26 3.515 2.337 9.021 187 HD2 LYS 26 1HD LYS 26 5.324 0.916 7.820 188 HD3 LYS 26 2HD LYS 26 5.183 -0.142 9.226 189 HE2 LYS 26 1HE LYS 26 2.772 -0.345 8.815 190 HE3 LYS 26 2HE LYS 26 2.931 0.693 7.400 191 HZ1 LYS 26 1HZ LYS 26 3.272 -2.070 7.548 192 HZ2 LYS 26 2HZ LYS 26 4.787 -1.403 7.201 193 HZ3 LYS 26 3HZ LYS 26 3.466 -1.069 6.198 194 H SER 27 H SER 27 5.065 4.363 12.372 195 HA SER 27 HA SER 27 7.555 5.935 12.503 196 HB2 SER 27 1HB SER 27 6.642 6.934 14.591 197 HB3 SER 27 2HB SER 27 5.658 7.298 13.173 198 HG SER 27 HG SER 27 4.088 6.044 13.914 199 H PHE 28 H PHE 28 9.050 5.443 14.098 200 HA PHE 28 HA PHE 28 8.543 2.979 15.627 201 HB2 PHE 28 1HB PHE 28 11.139 3.762 14.285 202 HB3 PHE 28 2HB PHE 28 10.882 2.324 15.268 203 HD1 PHE 28 1HD PHE 28 9.587 4.019 12.217 204 HD2 PHE 28 2HD PHE 28 10.292 0.343 14.244 205 HE1 PHE 28 1HE PHE 28 8.885 2.781 10.210 206 HE2 PHE 28 2HE PHE 28 9.593 -0.900 12.239 207 HZ PHE 28 HZ PHE 28 8.888 0.319 10.219 208 H SER 29 H SER 29 9.919 2.734 17.548 209 HA SER 29 HA SER 29 10.077 5.238 18.980 210 HB2 SER 29 1HB SER 29 10.782 2.455 19.940 211 HB3 SER 29 2HB SER 29 10.493 3.875 20.945 212 HG SER 29 HG SER 29 8.685 2.246 19.593 213 H HIS 30 H HIS 30 12.295 2.800 17.743 214 HA HIS 30 HA HIS 30 14.561 4.464 18.614 215 HB2 HIS 30 1HB HIS 30 14.230 1.859 19.145 216 HB3 HIS 30 2HB HIS 30 15.019 1.715 17.577 217 HD1 HIS 30 1HD HIS 30 17.356 1.084 18.112 218 HD2 HIS 30 2HD HIS 30 15.987 4.173 20.529 219 HE1 HIS 30 1HE HIS 30 19.342 1.799 19.479 220 H SER 31 H SER 31 15.570 5.614 17.116 221 HA SER 31 HA SER 31 14.872 5.755 14.454 222 HB2 SER 31 1HB SER 31 17.026 6.939 14.109 223 HB3 SER 31 2HB SER 31 16.174 7.503 15.547 224 HG SER 31 HG SER 31 17.654 6.590 16.808 225 H SER 32 H SER 32 17.674 4.044 15.838 226 HA SER 32 HA SER 32 18.837 3.014 13.607 227 HB2 SER 32 1HB SER 32 18.523 2.010 16.391 228 HB3 SER 32 2HB SER 32 19.118 0.869 15.185 229 HG SER 32 HG SER 32 20.794 2.074 16.243 230 H ASP 33 H ASP 33 16.034 1.654 15.307 231 HA ASP 33 HA ASP 33 15.683 -0.631 13.751 232 HB2 ASP 33 1HB ASP 33 13.823 1.066 15.381 233 HB3 ASP 33 2HB ASP 33 13.182 -0.259 14.413 234 H LEU 34 H LEU 34 13.887 2.440 13.445 235 HA LEU 34 HA LEU 34 12.412 2.034 11.240 236 HB2 LEU 34 1HB LEU 34 12.248 4.152 12.170 237 HB3 LEU 34 2HB LEU 34 13.989 4.421 12.107 238 HG LEU 34 HG LEU 34 13.711 4.518 9.571 239 HD11 LEU 34 1HD1 LEU 34 10.909 4.266 10.452 240 HD12 LEU 34 2HD1 LEU 34 11.671 3.800 8.932 241 HD13 LEU 34 3HD1 LEU 34 11.233 5.484 9.218 242 HD21 LEU 34 1HD2 LEU 34 12.364 6.874 10.100 243 HD22 LEU 34 2HD2 LEU 34 14.111 6.631 10.150 244 HD23 LEU 34 3HD2 LEU 34 13.157 6.487 11.627 245 H SER 35 H SER 35 15.895 2.540 11.280 246 HA SER 35 HA SER 35 16.307 2.837 8.524 247 HB2 SER 35 1HB SER 35 18.186 1.553 10.520 248 HB3 SER 35 2HB SER 35 18.628 2.265 8.969 249 HG SER 35 HG SER 35 17.283 3.803 10.903 250 H LYS 36 H LYS 36 16.667 -0.095 10.525 251 HA LYS 36 HA LYS 36 17.142 -1.877 8.431 252 HB2 LYS 36 1HB LYS 36 17.012 -3.537 10.006 253 HB3 LYS 36 2HB LYS 36 17.221 -2.147 11.063 254 HG2 LYS 36 1HG LYS 36 14.758 -2.053 11.339 255 HG3 LYS 36 2HG LYS 36 14.638 -3.541 10.397 256 HD2 LYS 36 1HD LYS 36 15.580 -4.827 12.058 257 HD3 LYS 36 2HD LYS 36 16.457 -3.465 12.761 258 HE2 LYS 36 1HE LYS 36 14.627 -2.722 13.939 259 HE3 LYS 36 2HE LYS 36 13.477 -3.449 12.819 260 HZ1 LYS 36 1HZ LYS 36 14.690 -5.617 13.790 261 HZ2 LYS 36 2HZ LYS 36 13.276 -4.961 14.446 262 HZ3 LYS 36 3HZ LYS 36 14.776 -4.599 15.139 263 H HIS 37 H HIS 37 14.141 -0.625 9.742 264 HA HIS 37 HA HIS 37 12.353 -2.436 8.575 265 HB2 HIS 37 1HB HIS 37 11.294 -1.092 10.109 266 HB3 HIS 37 2HB HIS 37 12.166 0.353 9.607 267 HD1 HIS 37 1HD HIS 37 9.333 -1.870 8.425 268 HD2 HIS 37 2HD HIS 37 10.774 1.995 7.934 269 HE1 HIS 37 1HE HIS 37 7.589 -0.670 7.067 270 H ARG 38 H ARG 38 13.516 0.707 7.371 271 HA ARG 38 HA ARG 38 12.147 0.952 5.038 272 HB2 ARG 38 1HB ARG 38 14.895 1.700 5.879 273 HB3 ARG 38 2HB ARG 38 14.540 1.783 4.158 274 HG2 ARG 38 1HG ARG 38 14.028 3.912 4.842 275 HG3 ARG 38 2HG ARG 38 12.450 3.126 4.932 276 HD2 ARG 38 1HD ARG 38 12.517 2.991 7.258 277 HD3 ARG 38 2HD ARG 38 14.265 3.209 7.314 278 HE ARG 38 HE ARG 38 12.266 5.266 7.247 279 HH11 ARG 38 2HH1 ARG 38 15.569 4.476 6.479 280 HH12 ARG 38 1HH1 ARG 38 16.116 6.118 6.555 281 HH21 ARG 38 2HH2 ARG 38 12.975 7.431 7.350 282 HH22 ARG 38 1HH2 ARG 38 14.640 7.798 7.051 283 H ARG 39 H ARG 39 14.645 -1.362 5.764 284 HA ARG 39 HA ARG 39 15.456 -2.157 3.245 285 HB2 ARG 39 1HB ARG 39 14.997 -3.865 5.696 286 HB3 ARG 39 2HB ARG 39 15.889 -4.381 4.272 287 HG2 ARG 39 1HG ARG 39 17.525 -2.607 4.649 288 HG3 ARG 39 2HG ARG 39 16.628 -2.088 6.078 289 HD2 ARG 39 1HD ARG 39 18.503 -3.461 6.743 290 HD3 ARG 39 2HD ARG 39 16.994 -4.308 7.081 291 HE ARG 39 HE ARG 39 17.772 -5.161 4.588 292 HH11 ARG 39 2HH1 ARG 39 19.138 -5.173 7.790 293 HH12 ARG 39 1HH1 ARG 39 20.050 -6.624 7.537 294 HH21 ARG 39 2HH2 ARG 39 18.968 -7.072 4.242 295 HH22 ARG 39 1HH2 ARG 39 19.953 -7.703 5.518 296 H THR 40 H THR 40 12.570 -3.106 5.050 297 HA THR 40 HA THR 40 11.619 -5.157 3.472 298 HB THR 40 HB THR 40 10.527 -4.519 5.558 299 HG1 THR 40 1HG THR 40 9.146 -5.664 4.306 300 HG21 THR 40 1HG2 THR 40 10.507 -1.936 4.389 301 HG22 THR 40 2HG2 THR 40 9.973 -2.408 6.002 302 HG23 THR 40 3HG2 THR 40 8.830 -2.410 4.659 303 H HIS 41 H HIS 41 11.856 -1.801 2.724 304 HA HIS 41 HA HIS 41 9.919 -1.845 0.592 305 HB2 HIS 41 1HB HIS 41 12.006 0.196 1.377 306 HB3 HIS 41 2HB HIS 41 10.838 0.427 0.079 307 HD1 HIS 41 1HD HIS 41 8.284 -0.559 1.422 308 HD2 HIS 41 2HD HIS 41 11.082 1.870 3.302 309 HE1 HIS 41 1HE HIS 41 7.031 0.609 3.263 310 H THR 42 H THR 42 10.677 -3.585 -0.690 311 HA THR 42 HA THR 42 13.123 -2.980 -2.220 312 HB THR 42 HB THR 42 13.318 -5.392 -2.679 313 HG1 THR 42 1HG THR 42 11.469 -6.004 -0.671 314 HG21 THR 42 1HG2 THR 42 13.212 -4.538 0.207 315 HG22 THR 42 2HG2 THR 42 14.620 -4.634 -0.850 316 HG23 THR 42 3HG2 THR 42 13.828 -6.110 -0.299 317 H GLY 43 H GLY 43 13.033 -2.987 -4.424 318 HA2 GLY 43 1HA GLY 43 11.802 -3.976 -6.393 319 HA3 GLY 43 2HA GLY 43 10.352 -3.379 -5.599 320 H GLU 44 H GLU 44 10.506 -2.515 -8.027 321 HA GLU 44 HA GLU 44 11.928 0.045 -8.064 322 HB2 GLU 44 1HB GLU 44 12.024 -1.644 -9.991 323 HB3 GLU 44 2HB GLU 44 10.373 -1.156 -10.346 324 HG2 GLU 44 1HG GLU 44 11.735 0.115 -11.768 325 HG3 GLU 44 2HG GLU 44 11.235 1.212 -10.482 326 H LYS 45 H LYS 45 9.684 -0.216 -6.346 327 HA LYS 45 HA LYS 45 7.801 1.639 -7.650 328 HB2 LYS 45 1HB LYS 45 7.130 -0.387 -5.509 329 HB3 LYS 45 2HB LYS 45 6.002 0.705 -6.302 330 HG2 LYS 45 1HG LYS 45 6.657 -0.444 -8.472 331 HG3 LYS 45 2HG LYS 45 7.425 -1.669 -7.460 332 HD2 LYS 45 1HD LYS 45 5.306 -2.550 -7.823 333 HD3 LYS 45 2HD LYS 45 5.139 -1.763 -6.251 334 HE2 LYS 45 1HE LYS 45 4.103 0.160 -7.284 335 HE3 LYS 45 2HE LYS 45 4.373 -0.516 -8.889 336 HZ1 LYS 45 1HZ LYS 45 2.282 -1.067 -7.004 337 HZ2 LYS 45 2HZ LYS 45 3.007 -2.474 -7.601 338 HZ3 LYS 45 3HZ LYS 45 2.335 -1.350 -8.672 339 HA PRO 46 HA PRO 46 9.760 3.758 -4.029 340 HB2 PRO 46 1HB PRO 46 10.069 6.135 -5.303 341 HB3 PRO 46 2HB PRO 46 11.258 4.830 -5.402 342 HG2 PRO 46 1HG PRO 46 9.121 5.598 -7.353 343 HG3 PRO 46 2HG PRO 46 10.806 5.139 -7.662 344 HD2 PRO 46 1HD PRO 46 8.744 3.414 -7.985 345 HD3 PRO 46 2HD PRO 46 10.359 2.885 -7.472 346 H TYR 47 H TYR 47 6.909 3.938 -5.773 347 HA TYR 47 HA TYR 47 5.847 6.080 -4.051 348 HB2 TYR 47 1HB TYR 47 4.612 5.081 -6.619 349 HB3 TYR 47 2HB TYR 47 4.197 6.537 -5.720 350 HD1 TYR 47 2HD TYR 47 5.712 8.488 -5.754 351 HD2 TYR 47 1HD TYR 47 6.461 5.046 -8.141 352 HE1 TYR 47 2HE TYR 47 7.287 9.788 -7.123 353 HE2 TYR 47 1HE TYR 47 8.040 6.337 -9.517 354 HH TYR 47 HH TYR 47 8.380 9.790 -9.171 355 H LYS 48 H LYS 48 4.050 5.717 -2.824 356 HA LYS 48 HA LYS 48 2.309 3.511 -3.117 357 HB2 LYS 48 1HB LYS 48 4.185 2.192 -2.337 358 HB3 LYS 48 2HB LYS 48 4.425 3.274 -0.972 359 HG2 LYS 48 1HG LYS 48 2.531 2.501 0.134 360 HG3 LYS 48 2HG LYS 48 1.844 1.803 -1.334 361 HD2 LYS 48 1HD LYS 48 4.058 0.351 -1.238 362 HD3 LYS 48 2HD LYS 48 3.946 0.738 0.481 363 HE2 LYS 48 1HE LYS 48 2.002 -0.445 0.759 364 HE3 LYS 48 2HE LYS 48 1.504 -0.229 -0.918 365 HZ1 LYS 48 1HZ LYS 48 2.749 -2.438 0.211 366 HZ2 LYS 48 2HZ LYS 48 3.885 -1.734 -0.825 367 HZ3 LYS 48 3HZ LYS 48 2.368 -2.189 -1.419 368 H CYS 49 H CYS 49 0.579 3.557 -1.641 369 HA CYS 49 HA CYS 49 0.401 6.069 -0.135 370 HB2 CYS 49 1HB CYS 49 -1.354 5.834 -1.753 371 HB3 CYS 49 2HB CYS 49 -1.716 4.200 -1.207 372 H ASP 50 H ASP 50 -0.770 6.035 1.929 373 HA ASP 50 HA ASP 50 -0.031 3.655 3.477 374 HB2 ASP 50 1HB ASP 50 0.838 5.922 4.153 375 HB3 ASP 50 2HB ASP 50 -0.822 6.374 4.533 376 H GLU 51 H GLU 51 -2.686 6.033 3.308 377 HA GLU 51 HA GLU 51 -4.542 4.919 4.927 378 HB2 GLU 51 1HB GLU 51 -4.945 6.167 2.211 379 HB3 GLU 51 2HB GLU 51 -6.281 5.746 3.273 380 HG2 GLU 51 1HG GLU 51 -4.048 7.630 3.994 381 HG3 GLU 51 2HG GLU 51 -5.631 8.123 3.394 382 H CYS 52 H CYS 52 -4.474 4.177 1.436 383 HA CYS 52 HA CYS 52 -6.043 1.793 1.855 384 HB2 CYS 52 1HB CYS 52 -5.819 1.522 -0.608 385 HB3 CYS 52 2HB CYS 52 -6.456 3.096 -0.141 386 H GLY 53 H GLY 53 -2.741 2.531 0.759 387 HA2 GLY 53 1HA GLY 53 -0.832 1.264 1.308 388 HA3 GLY 53 2HA GLY 53 -1.879 -0.068 1.777 389 H LYS 54 H LYS 54 -1.084 1.814 -1.146 390 HA LYS 54 HA LYS 54 -0.734 -0.723 -2.580 391 HB2 LYS 54 1HB LYS 54 -3.004 0.197 -3.054 392 HB3 LYS 54 2HB LYS 54 -2.243 1.647 -3.696 393 HG2 LYS 54 1HG LYS 54 -1.320 0.480 -5.520 394 HG3 LYS 54 2HG LYS 54 -1.663 -1.089 -4.788 395 HD2 LYS 54 1HD LYS 54 -4.132 -0.359 -4.906 396 HD3 LYS 54 2HD LYS 54 -3.563 0.863 -6.046 397 HE2 LYS 54 1HE LYS 54 -4.328 -1.092 -7.248 398 HE3 LYS 54 2HE LYS 54 -2.583 -0.922 -7.431 399 HZ1 LYS 54 1HZ LYS 54 -4.087 -3.054 -6.260 400 HZ2 LYS 54 2HZ LYS 54 -2.873 -2.495 -5.223 401 HZ3 LYS 54 3HZ LYS 54 -2.476 -3.030 -6.778 402 H ALA 55 H ALA 55 0.921 -0.753 -4.027 403 HA ALA 55 HA ALA 55 2.676 1.576 -4.036 404 HB1 ALA 55 1HB ALA 55 4.402 0.153 -4.342 405 HB2 ALA 55 2HB ALA 55 3.252 -1.029 -3.715 406 HB3 ALA 55 3HB ALA 55 3.499 -0.877 -5.454 407 H PHE 56 H PHE 56 3.637 2.362 -6.004 408 HA PHE 56 HA PHE 56 2.255 1.700 -8.488 409 HB2 PHE 56 1HB PHE 56 2.528 4.582 -7.649 410 HB3 PHE 56 2HB PHE 56 1.583 3.919 -8.978 411 HD1 PHE 56 2HD PHE 56 1.764 4.306 -5.325 412 HD2 PHE 56 1HD PHE 56 -0.612 3.075 -8.635 413 HE1 PHE 56 2HE PHE 56 -0.216 4.220 -3.867 414 HE2 PHE 56 1HE PHE 56 -2.596 2.988 -7.182 415 HZ PHE 56 HZ PHE 56 -2.399 3.559 -4.795 416 H ILE 57 H ILE 57 3.455 2.070 -10.331 417 HA ILE 57 HA ILE 57 6.290 2.287 -9.955 418 HB ILE 57 HB ILE 57 4.674 2.134 -12.502 419 HG12 ILE 57 1HG1 ILE 57 6.327 -0.077 -11.319 420 HG13 ILE 57 2HG1 ILE 57 4.678 0.192 -10.767 421 HG21 ILE 57 1HG2 ILE 57 7.634 1.999 -11.992 422 HG22 ILE 57 2HG2 ILE 57 6.888 1.371 -13.461 423 HG23 ILE 57 3HG2 ILE 57 6.759 3.086 -13.071 424 HD11 ILE 57 1HD1 ILE 57 4.230 -1.294 -12.397 425 HD12 ILE 57 2HD1 ILE 57 4.250 0.155 -13.402 426 HD13 ILE 57 3HD1 ILE 57 5.674 -0.883 -13.323 427 H GLN 58 H GLN 58 3.898 4.208 -11.774 428 HA GLN 58 HA GLN 58 5.827 6.414 -11.882 429 HB2 GLN 58 1HB GLN 58 3.326 5.797 -13.441 430 HB3 GLN 58 2HB GLN 58 4.076 7.387 -13.486 431 HG2 GLN 58 1HG GLN 58 5.598 4.886 -14.135 432 HG3 GLN 58 2HG GLN 58 4.665 5.765 -15.345 433 HE21 GLN 58 1HE2 GLN 58 6.836 5.890 -16.336 434 HE22 GLN 58 2HE2 GLN 58 7.856 7.211 -15.890 435 H ARG 59 H ARG 59 5.474 8.346 -10.911 436 HA ARG 59 HA ARG 59 3.901 8.550 -8.656 437 HB2 ARG 59 1HB ARG 59 5.720 10.084 -9.043 438 HB3 ARG 59 2HB ARG 59 4.928 10.733 -10.472 439 HG2 ARG 59 1HG ARG 59 4.505 12.352 -8.889 440 HG3 ARG 59 2HG ARG 59 3.034 11.379 -8.832 441 HD2 ARG 59 1HD ARG 59 3.726 10.287 -6.847 442 HD3 ARG 59 2HD ARG 59 5.367 10.912 -6.993 443 HE ARG 59 HE ARG 59 3.854 13.151 -6.790 444 HH11 ARG 59 2HH1 ARG 59 4.127 10.248 -4.887 445 HH12 ARG 59 1HH1 ARG 59 3.721 11.031 -3.396 446 HH21 ARG 59 2HH2 ARG 59 3.319 14.194 -4.833 447 HH22 ARG 59 1HH2 ARG 59 3.260 13.276 -3.367 448 H SER 60 H SER 60 3.214 10.061 -11.816 449 HA SER 60 HA SER 60 0.860 11.259 -11.465 450 HB2 SER 60 1HB SER 60 1.282 9.301 -13.732 451 HB3 SER 60 2HB SER 60 0.247 10.728 -13.740 452 HG SER 60 HG SER 60 1.920 11.864 -14.273 453 H HIS 61 H HIS 61 1.170 7.743 -11.906 454 HA HIS 61 HA HIS 61 -1.442 6.958 -11.839 455 HB2 HIS 61 1HB HIS 61 0.911 5.635 -10.477 456 HB3 HIS 61 2HB HIS 61 -0.646 4.858 -10.746 457 HD1 HIS 61 1HD HIS 61 0.765 3.091 -12.158 458 HD2 HIS 61 2HD HIS 61 0.555 6.924 -13.749 459 HE1 HIS 61 1HE HIS 61 1.477 2.862 -14.559 460 H LEU 62 H LEU 62 0.614 7.622 -9.017 461 HA LEU 62 HA LEU 62 -1.503 7.157 -7.144 462 HB2 LEU 62 1HB LEU 62 0.789 6.775 -6.495 463 HB3 LEU 62 2HB LEU 62 1.201 8.453 -6.842 464 HG LEU 62 HG LEU 62 -0.420 9.080 -4.987 465 HD11 LEU 62 1HD1 LEU 62 -1.135 7.477 -3.450 466 HD12 LEU 62 2HD1 LEU 62 -0.037 6.249 -4.077 467 HD13 LEU 62 3HD1 LEU 62 -1.445 6.735 -5.020 468 HD21 LEU 62 1HD2 LEU 62 1.821 9.380 -4.476 469 HD22 LEU 62 2HD2 LEU 62 2.182 7.657 -4.582 470 HD23 LEU 62 3HD2 LEU 62 1.278 8.285 -3.204 471 H ILE 63 H ILE 63 -0.009 9.999 -8.609 472 HA ILE 63 HA ILE 63 -0.915 12.096 -7.205 473 HB ILE 63 HB ILE 63 -1.168 11.847 -10.205 474 HG12 ILE 63 1HG1 ILE 63 1.097 11.395 -9.486 475 HG13 ILE 63 2HG1 ILE 63 1.041 13.002 -10.200 476 HG21 ILE 63 1HG2 ILE 63 -2.436 13.735 -9.133 477 HG22 ILE 63 2HG2 ILE 63 -0.885 14.364 -8.579 478 HG23 ILE 63 3HG2 ILE 63 -1.213 14.220 -10.306 479 HD11 ILE 63 1HD1 ILE 63 2.131 13.661 -8.381 480 HD12 ILE 63 2HD1 ILE 63 0.588 13.499 -7.542 481 HD13 ILE 63 3HD1 ILE 63 1.753 12.175 -7.510 482 H GLY 64 H GLY 64 -2.912 10.592 -9.760 483 HA2 GLY 64 1HA GLY 64 -5.268 11.993 -9.011 484 HA3 GLY 64 2HA GLY 64 -5.189 10.603 -10.084 485 H HIS 65 H HIS 65 -4.257 8.618 -8.495 486 HA HIS 65 HA HIS 65 -6.392 7.515 -7.287 487 HB2 HIS 65 1HB HIS 65 -4.611 6.062 -7.353 488 HB3 HIS 65 2HB HIS 65 -3.466 7.267 -6.772 489 HD1 HIS 65 1HD HIS 65 -5.891 4.689 -5.591 490 HD2 HIS 65 2HD HIS 65 -3.247 7.459 -3.980 491 HE1 HIS 65 1HE HIS 65 -5.692 4.090 -3.157 492 H HIS 66 H HIS 66 -4.066 9.655 -5.665 493 HA HIS 66 HA HIS 66 -4.772 9.664 -3.097 494 HB2 HIS 66 1HB HIS 66 -4.228 11.973 -4.930 495 HB3 HIS 66 2HB HIS 66 -4.642 12.274 -3.244 496 HD1 HIS 66 1HD HIS 66 -1.832 11.532 -5.402 497 HD2 HIS 66 2HD HIS 66 -2.771 10.931 -1.400 498 HE1 HIS 66 1HE HIS 66 0.360 11.068 -4.259 499 H ARG 67 H ARG 67 -6.713 11.137 -5.665 500 HA ARG 67 HA ARG 67 -8.651 12.491 -4.422 501 HB2 ARG 67 1HB ARG 67 -8.985 10.415 -6.585 502 HB3 ARG 67 2HB ARG 67 -10.295 11.467 -6.066 503 HG2 ARG 67 1HG ARG 67 -9.148 13.406 -6.809 504 HG3 ARG 67 2HG ARG 67 -7.659 12.498 -7.074 505 HD2 ARG 67 1HD ARG 67 -8.468 12.637 -9.218 506 HD3 ARG 67 2HD ARG 67 -9.160 11.100 -8.700 507 HE ARG 67 HE ARG 67 -11.120 12.788 -8.065 508 HH11 ARG 67 2HH1 ARG 67 -9.201 12.513 -10.957 509 HH12 ARG 67 1HH1 ARG 67 -10.454 13.098 -12.000 510 HH21 ARG 67 2HH2 ARG 67 -12.777 13.560 -9.429 511 HH22 ARG 67 1HH2 ARG 67 -12.487 13.694 -11.130 512 H VAL 68 H VAL 68 -8.666 8.937 -4.679 513 HA VAL 68 HA VAL 68 -10.926 8.180 -3.477 514 HB VAL 68 HB VAL 68 -9.783 6.273 -2.473 515 HG11 VAL 68 1HG1 VAL 68 -10.018 5.733 -4.659 516 HG12 VAL 68 2HG1 VAL 68 -9.179 7.180 -5.221 517 HG13 VAL 68 3HG1 VAL 68 -8.256 5.801 -4.622 518 HG21 VAL 68 1HG2 VAL 68 -7.329 7.943 -2.929 519 HG22 VAL 68 2HG2 VAL 68 -7.884 7.187 -1.436 520 HG23 VAL 68 3HG2 VAL 68 -7.247 6.191 -2.744 521 H HIS 69 H HIS 69 -8.062 9.282 -1.678 522 HA HIS 69 HA HIS 69 -9.610 9.343 0.792 523 HB2 HIS 69 1HB HIS 69 -6.716 10.123 0.431 524 HB3 HIS 69 2HB HIS 69 -7.535 9.682 1.927 525 HD1 HIS 69 1HD HIS 69 -8.670 7.048 1.564 526 HD2 HIS 69 2HD HIS 69 -5.134 8.093 -0.351 527 HE1 HIS 69 1HE HIS 69 -7.535 4.873 1.014 528 H THR 70 H THR 70 -10.077 11.189 1.946 529 HA THR 70 HA THR 70 -10.458 13.570 0.450 530 HB THR 70 HB THR 70 -12.005 13.027 2.225 531 HG1 THR 70 1HG THR 70 -12.153 15.134 2.317 532 HG21 THR 70 1HG2 THR 70 -11.456 12.554 4.382 533 HG22 THR 70 2HG2 THR 70 -10.087 13.666 4.392 534 HG23 THR 70 3HG2 THR 70 -9.932 12.083 3.632 535 H GLY 71 H GLY 71 -7.952 12.442 2.592 536 HA2 GLY 71 1HA GLY 71 -5.889 13.317 3.096 537 HA3 GLY 71 2HA GLY 71 -6.126 14.431 1.757 538 H SER 72 H SER 72 -6.893 13.893 5.169 539 HA SER 72 HA SER 72 -6.563 16.732 5.672 540 HB2 SER 72 1HB SER 72 -9.174 15.284 6.091 541 HB3 SER 72 2HB SER 72 -8.756 16.730 7.010 542 HG SER 72 HG SER 72 -9.361 17.835 5.344 543 H GLY 73 H GLY 73 -6.215 17.234 7.884 544 HA2 GLY 73 1HA GLY 73 -5.410 14.877 9.460 545 HA3 GLY 73 2HA GLY 73 -4.720 16.486 9.621 546 HA PRO 74 HA PRO 74 -7.339 17.054 13.108 547 HB2 PRO 74 1HB PRO 74 -7.231 19.762 13.267 548 HB3 PRO 74 2HB PRO 74 -5.884 18.718 13.736 549 HG2 PRO 74 1HG PRO 74 -6.309 20.231 11.188 550 HG3 PRO 74 2HG PRO 74 -4.830 20.051 12.149 551 HD2 PRO 74 1HD PRO 74 -5.297 18.603 9.910 552 HD3 PRO 74 2HD PRO 74 -4.371 17.965 11.283 553 H SER 75 H SER 75 -9.437 17.628 13.626 554 HA SER 75 HA SER 75 -11.295 17.814 11.531 555 HB2 SER 75 1HB SER 75 -11.681 16.944 13.901 556 HB3 SER 75 2HB SER 75 -11.858 18.631 14.382 557 HG SER 75 HG SER 75 -13.578 17.004 12.981 558 H SER 76 H SER 76 -10.248 20.272 13.885 559 HA SER 76 HA SER 76 -10.532 22.540 13.928 560 HB2 SER 76 1HB SER 76 -9.717 21.951 11.091 561 HB3 SER 76 2HB SER 76 -9.988 23.608 11.632 562 HG SER 76 HG SER 76 -8.322 21.901 13.119 563 H GLY 77 H GLY 77 -12.976 21.279 13.856 564 HA2 GLY 77 1HA GLY 77 -14.914 22.974 13.585 565 HA3 GLY 77 2HA GLY 77 -14.560 22.768 11.876 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -6.454 40.156 -8.260 2 HA2 GLY 1 1HA GLY 1 -5.603 41.154 -10.688 3 HA3 GLY 1 2HA GLY 1 -4.313 41.527 -9.555 4 H SER 2 H SER 2 -4.474 39.245 -7.927 5 HA SER 2 HA SER 2 -4.010 37.007 -9.761 6 HB2 SER 2 1HB SER 2 -1.869 36.485 -8.819 7 HB3 SER 2 2HB SER 2 -1.834 38.191 -9.264 8 HG SER 2 HG SER 2 -1.390 37.112 -6.884 9 H SER 3 H SER 3 -3.469 34.969 -8.356 10 HA SER 3 HA SER 3 -5.730 34.558 -6.660 11 HB2 SER 3 1HB SER 3 -3.368 32.813 -7.376 12 HB3 SER 3 2HB SER 3 -4.674 32.276 -6.320 13 HG SER 3 HG SER 3 -5.829 33.291 -8.439 14 H GLY 4 H GLY 4 -5.516 33.561 -4.467 15 HA2 GLY 4 1HA GLY 4 -3.173 34.516 -2.979 16 HA3 GLY 4 2HA GLY 4 -4.765 35.072 -2.482 17 H SER 5 H SER 5 -4.561 34.113 -0.442 18 HA SER 5 HA SER 5 -4.331 31.196 -0.356 19 HB2 SER 5 1HB SER 5 -4.289 33.269 1.849 20 HB3 SER 5 2HB SER 5 -4.163 31.530 2.114 21 HG SER 5 HG SER 5 -2.260 33.295 1.338 22 H SER 6 H SER 6 -5.978 29.877 0.184 23 HA SER 6 HA SER 6 -8.637 31.009 0.259 24 HB2 SER 6 1HB SER 6 -7.829 28.835 -0.956 25 HB3 SER 6 2HB SER 6 -8.069 28.085 0.622 26 HG SER 6 HG SER 6 -10.230 29.333 0.377 27 H GLY 7 H GLY 7 -7.184 31.776 2.495 28 HA2 GLY 7 1HA GLY 7 -7.755 32.070 4.731 29 HA3 GLY 7 2HA GLY 7 -8.894 30.740 4.587 30 H ARG 8 H ARG 8 -8.140 29.967 6.626 31 HA ARG 8 HA ARG 8 -5.889 28.167 6.342 32 HB2 ARG 8 1HB ARG 8 -5.908 30.437 8.323 33 HB3 ARG 8 2HB ARG 8 -4.954 28.982 8.583 34 HG2 ARG 8 1HG ARG 8 -4.097 29.546 6.146 35 HG3 ARG 8 2HG ARG 8 -4.582 31.174 6.623 36 HD2 ARG 8 1HD ARG 8 -2.941 29.552 8.507 37 HD3 ARG 8 2HD ARG 8 -2.154 30.272 7.103 38 HE ARG 8 HE ARG 8 -3.614 32.295 8.276 39 HH11 ARG 8 2HH1 ARG 8 -1.025 30.162 9.210 40 HH12 ARG 8 1HH1 ARG 8 -0.322 31.290 10.321 41 HH21 ARG 8 2HH2 ARG 8 -2.697 33.789 9.736 42 HH22 ARG 8 1HH2 ARG 8 -1.275 33.352 10.620 43 H SER 9 H SER 9 -6.511 26.279 7.139 44 HA SER 9 HA SER 9 -8.251 26.233 9.506 45 HB2 SER 9 1HB SER 9 -9.405 25.809 7.187 46 HB3 SER 9 2HB SER 9 -8.660 24.216 7.325 47 HG SER 9 HG SER 9 -9.830 23.821 9.142 48 H GLU 10 H GLU 10 -8.353 23.963 10.451 49 HA GLU 10 HA GLU 10 -5.632 23.011 10.734 50 HB2 GLU 10 1HB GLU 10 -6.535 21.627 12.551 51 HB3 GLU 10 2HB GLU 10 -6.989 23.315 12.736 52 HG2 GLU 10 1HG GLU 10 -9.164 22.603 11.521 53 HG3 GLU 10 2HG GLU 10 -8.685 20.974 11.995 54 H TRP 11 H TRP 11 -5.087 21.878 8.916 55 HA TRP 11 HA TRP 11 -5.984 19.191 8.731 56 HB2 TRP 11 1HB TRP 11 -7.118 19.192 6.647 57 HB3 TRP 11 2HB TRP 11 -7.856 20.483 7.591 58 HD1 TRP 11 HD TRP 11 -6.541 23.022 7.036 59 HE1 TRP 11 1HE TRP 11 -6.096 23.988 4.692 60 HE3 TRP 11 3HE TRP 11 -6.797 18.701 4.316 61 HZ2 TRP 11 2HZ TRP 11 -5.882 23.042 2.040 62 HZ3 TRP 11 3HZ TRP 11 -6.461 18.818 1.882 63 HH2 TRP 11 HH TRP 11 -6.014 20.945 0.769 64 H GLN 12 H GLN 12 -4.929 18.037 6.880 65 HA GLN 12 HA GLN 12 -2.998 17.429 5.838 66 HB2 GLN 12 1HB GLN 12 -3.944 19.483 4.469 67 HB3 GLN 12 2HB GLN 12 -2.486 20.267 5.063 68 HG2 GLN 12 1HG GLN 12 -2.664 17.788 3.372 69 HG3 GLN 12 2HG GLN 12 -2.040 19.368 2.901 70 HE21 GLN 12 1HE2 GLN 12 -1.466 16.539 4.880 71 HE22 GLN 12 2HE2 GLN 12 0.236 16.774 5.063 72 H GLN 13 H GLN 13 -2.759 18.061 8.592 73 HA GLN 13 HA GLN 13 -0.360 19.619 8.958 74 HB2 GLN 13 1HB GLN 13 -1.906 17.879 10.887 75 HB3 GLN 13 2HB GLN 13 -0.564 18.927 11.328 76 HG2 GLN 13 1HG GLN 13 -1.788 20.867 10.926 77 HG3 GLN 13 2HG GLN 13 -2.998 20.015 9.969 78 HE21 GLN 13 1HE2 GLN 13 -4.665 20.867 11.227 79 HE22 GLN 13 2HE2 GLN 13 -4.991 20.289 12.822 80 H ARG 14 H ARG 14 1.607 18.869 8.577 81 HA ARG 14 HA ARG 14 2.064 15.995 8.444 82 HB2 ARG 14 1HB ARG 14 3.575 18.417 7.537 83 HB3 ARG 14 2HB ARG 14 4.417 16.884 7.719 84 HG2 ARG 14 1HG ARG 14 2.918 15.838 6.129 85 HG3 ARG 14 2HG ARG 14 1.995 17.336 5.988 86 HD2 ARG 14 1HD ARG 14 3.453 17.219 4.110 87 HD3 ARG 14 2HD ARG 14 4.092 18.451 5.198 88 HE ARG 14 HE ARG 14 5.426 16.207 5.928 89 HH11 ARG 14 2HH1 ARG 14 4.920 17.830 2.889 90 HH12 ARG 14 1HH1 ARG 14 6.434 17.322 2.217 91 HH21 ARG 14 2HH2 ARG 14 7.422 15.532 5.054 92 HH22 ARG 14 1HH2 ARG 14 7.856 16.014 3.449 93 H GLU 15 H GLU 15 2.073 15.370 10.600 94 HA GLU 15 HA GLU 15 3.417 16.642 12.688 95 HB2 GLU 15 1HB GLU 15 1.735 14.631 12.675 96 HB3 GLU 15 2HB GLU 15 3.197 13.657 12.603 97 HG2 GLU 15 1HG GLU 15 2.422 13.910 14.887 98 HG3 GLU 15 2HG GLU 15 3.994 14.675 14.663 99 H ARG 16 H ARG 16 5.380 16.044 13.788 100 HA ARG 16 HA ARG 16 7.406 14.877 11.995 101 HB2 ARG 16 1HB ARG 16 7.714 17.196 13.909 102 HB3 ARG 16 2HB ARG 16 9.044 16.428 13.053 103 HG2 ARG 16 1HG ARG 16 7.934 17.042 10.912 104 HG3 ARG 16 2HG ARG 16 6.743 17.947 11.849 105 HD2 ARG 16 1HD ARG 16 8.639 19.250 12.835 106 HD3 ARG 16 2HD ARG 16 9.712 18.440 11.694 107 HE ARG 16 HE ARG 16 7.569 19.619 10.299 108 HH11 ARG 16 2HH1 ARG 16 10.451 20.476 12.052 109 HH12 ARG 16 1HH1 ARG 16 10.708 21.945 11.170 110 HH21 ARG 16 2HH2 ARG 16 7.896 21.550 9.130 111 HH22 ARG 16 1HH2 ARG 16 9.254 22.555 9.508 112 H ARG 17 H ARG 17 8.301 13.093 12.771 113 HA ARG 17 HA ARG 17 8.432 12.740 15.694 114 HB2 ARG 17 1HB ARG 17 7.553 10.872 13.542 115 HB3 ARG 17 2HB ARG 17 8.401 10.199 14.927 116 HG2 ARG 17 1HG ARG 17 6.103 10.028 15.409 117 HG3 ARG 17 2HG ARG 17 6.710 11.368 16.384 118 HD2 ARG 17 1HD ARG 17 5.683 12.969 15.048 119 HD3 ARG 17 2HD ARG 17 5.536 11.869 13.678 120 HE ARG 17 HE ARG 17 3.567 11.077 14.557 121 HH11 ARG 17 2HH1 ARG 17 5.227 12.991 16.945 122 HH12 ARG 17 1HH1 ARG 17 3.889 13.016 18.045 123 HH21 ARG 17 2HH2 ARG 17 1.798 11.102 15.997 124 HH22 ARG 17 1HH2 ARG 17 1.939 11.940 17.505 125 H ARG 18 H ARG 18 10.168 11.306 16.436 126 HA ARG 18 HA ARG 18 12.668 12.058 15.777 127 HB2 ARG 18 1HB ARG 18 11.596 9.492 16.868 128 HB3 ARG 18 2HB ARG 18 13.304 9.584 16.456 129 HG2 ARG 18 1HG ARG 18 13.308 11.719 17.901 130 HG3 ARG 18 2HG ARG 18 11.784 11.097 18.538 131 HD2 ARG 18 1HD ARG 18 12.785 9.326 19.580 132 HD3 ARG 18 2HD ARG 18 14.101 9.243 18.410 133 HE ARG 18 HE ARG 18 14.545 11.584 19.705 134 HH11 ARG 18 2HH1 ARG 18 14.056 8.299 20.749 135 HH12 ARG 18 1HH1 ARG 18 15.038 8.465 22.167 136 HH21 ARG 18 2HH2 ARG 18 15.841 11.815 21.568 137 HH22 ARG 18 1HH2 ARG 18 16.052 10.466 22.632 138 H TYR 19 H TYR 19 11.084 9.171 14.409 139 HA TYR 19 HA TYR 19 12.759 9.494 12.016 140 HB2 TYR 19 1HB TYR 19 12.106 6.801 13.212 141 HB3 TYR 19 2HB TYR 19 13.220 7.154 11.896 142 HD1 TYR 19 1HD TYR 19 14.947 9.200 12.793 143 HD2 TYR 19 2HD TYR 19 13.228 6.047 15.075 144 HE1 TYR 19 1HE TYR 19 16.802 9.360 14.401 145 HE2 TYR 19 2HE TYR 19 15.077 6.199 16.690 146 HH TYR 19 HH TYR 19 16.735 8.044 17.421 147 H LYS 20 H LYS 20 11.739 9.196 10.105 148 HA LYS 20 HA LYS 20 9.087 7.969 10.068 149 HB2 LYS 20 1HB LYS 20 8.761 10.410 10.414 150 HB3 LYS 20 2HB LYS 20 9.628 10.711 8.914 151 HG2 LYS 20 1HG LYS 20 7.921 9.588 7.644 152 HG3 LYS 20 2HG LYS 20 7.083 9.115 9.124 153 HD2 LYS 20 1HD LYS 20 6.749 11.510 9.651 154 HD3 LYS 20 2HD LYS 20 7.499 11.927 8.109 155 HE2 LYS 20 1HE LYS 20 5.746 10.710 6.923 156 HE3 LYS 20 2HE LYS 20 5.005 10.265 8.459 157 HZ1 LYS 20 1HZ LYS 20 4.115 12.290 7.150 158 HZ2 LYS 20 2HZ LYS 20 5.439 13.103 7.817 159 HZ3 LYS 20 3HZ LYS 20 4.281 12.400 8.831 160 H CYS 21 H CYS 21 9.038 6.535 8.479 161 HA CYS 21 HA CYS 21 11.068 6.383 6.496 162 HB2 CYS 21 1HB CYS 21 9.772 4.440 7.476 163 HB3 CYS 21 2HB CYS 21 8.418 4.935 6.465 164 H ASP 22 H ASP 22 10.767 8.601 5.659 165 HA ASP 22 HA ASP 22 8.712 9.785 4.442 166 HB2 ASP 22 1HB ASP 22 10.282 10.635 2.699 167 HB3 ASP 22 2HB ASP 22 10.923 10.750 4.336 168 H GLU 23 H GLU 23 10.310 6.895 3.269 169 HA GLU 23 HA GLU 23 9.403 6.715 0.685 170 HB2 GLU 23 1HB GLU 23 9.538 4.441 2.672 171 HB3 GLU 23 2HB GLU 23 9.545 4.286 0.921 172 HG2 GLU 23 1HG GLU 23 11.675 5.439 0.804 173 HG3 GLU 23 2HG GLU 23 11.663 5.671 2.551 174 H CYS 24 H CYS 24 7.702 5.564 3.596 175 HA CYS 24 HA CYS 24 5.226 5.442 2.012 176 HB2 CYS 24 1HB CYS 24 4.403 4.072 4.013 177 HB3 CYS 24 2HB CYS 24 5.602 3.320 2.967 178 H GLY 25 H GLY 25 6.441 6.399 5.222 179 HA2 GLY 25 1HA GLY 25 5.840 8.738 5.863 180 HA3 GLY 25 2HA GLY 25 4.205 8.328 5.363 181 H LYS 26 H LYS 26 6.167 6.000 7.037 182 HA LYS 26 HA LYS 26 4.362 6.218 9.342 183 HB2 LYS 26 1HB LYS 26 4.827 4.033 7.914 184 HB3 LYS 26 2HB LYS 26 6.218 3.908 8.984 185 HG2 LYS 26 1HG LYS 26 4.676 4.031 10.921 186 HG3 LYS 26 2HG LYS 26 3.320 4.001 9.791 187 HD2 LYS 26 1HD LYS 26 4.003 1.826 8.977 188 HD3 LYS 26 2HD LYS 26 5.440 1.864 10.001 189 HE2 LYS 26 1HE LYS 26 2.684 2.094 11.162 190 HE3 LYS 26 2HE LYS 26 3.400 0.523 10.808 191 HZ1 LYS 26 1HZ LYS 26 5.318 1.232 12.213 192 HZ2 LYS 26 2HZ LYS 26 3.868 1.025 13.058 193 HZ3 LYS 26 3HZ LYS 26 4.413 2.582 12.685 194 H SER 27 H SER 27 5.200 6.078 11.480 195 HA SER 27 HA SER 27 8.031 6.871 11.699 196 HB2 SER 27 1HB SER 27 7.458 8.329 13.536 197 HB3 SER 27 2HB SER 27 6.405 8.719 12.176 198 HG SER 27 HG SER 27 5.087 8.571 13.926 199 H PHE 28 H PHE 28 9.258 5.939 13.283 200 HA PHE 28 HA PHE 28 7.946 3.860 14.908 201 HB2 PHE 28 1HB PHE 28 10.737 3.754 13.744 202 HB3 PHE 28 2HB PHE 28 9.952 2.493 14.689 203 HD1 PHE 28 1HD PHE 28 9.793 4.347 11.492 204 HD2 PHE 28 2HD PHE 28 8.569 0.900 13.669 205 HE1 PHE 28 1HE PHE 28 8.894 3.364 9.423 206 HE2 PHE 28 2HE PHE 28 7.670 -0.089 11.603 207 HZ PHE 28 HZ PHE 28 7.832 1.142 9.477 208 H SER 29 H SER 29 8.911 3.402 16.963 209 HA SER 29 HA SER 29 9.843 5.783 18.281 210 HB2 SER 29 1HB SER 29 9.454 2.986 19.377 211 HB3 SER 29 2HB SER 29 9.705 4.445 20.334 212 HG SER 29 HG SER 29 7.727 5.115 18.908 213 H HIS 30 H HIS 30 11.187 2.619 17.459 214 HA HIS 30 HA HIS 30 13.827 3.557 18.361 215 HB2 HIS 30 1HB HIS 30 12.634 1.305 19.151 216 HB3 HIS 30 2HB HIS 30 13.369 0.696 17.671 217 HD1 HIS 30 1HD HIS 30 15.953 0.555 17.602 218 HD2 HIS 30 2HD HIS 30 14.415 1.894 21.222 219 HE1 HIS 30 1HE HIS 30 17.868 0.444 19.228 220 H SER 31 H SER 31 15.347 3.968 16.895 221 HA SER 31 HA SER 31 14.917 4.146 14.193 222 HB2 SER 31 1HB SER 31 17.385 4.209 13.941 223 HB3 SER 31 2HB SER 31 16.822 5.213 15.278 224 HG SER 31 HG SER 31 18.266 4.111 16.350 225 H SER 32 H SER 32 16.154 1.391 16.013 226 HA SER 32 HA SER 32 17.027 -0.246 13.975 227 HB2 SER 32 1HB SER 32 15.599 -0.973 16.540 228 HB3 SER 32 2HB SER 32 16.365 -2.156 15.480 229 HG SER 32 HG SER 32 18.306 -1.434 16.040 230 H ASP 33 H ASP 33 13.759 -0.314 15.406 231 HA ASP 33 HA ASP 33 12.517 -2.108 13.798 232 HB2 ASP 33 1HB ASP 33 11.398 0.530 14.767 233 HB3 ASP 33 2HB ASP 33 10.424 -0.787 14.119 234 H LEU 34 H LEU 34 12.615 1.388 13.082 235 HA LEU 34 HA LEU 34 11.428 1.434 10.636 236 HB2 LEU 34 1HB LEU 34 12.034 3.507 11.443 237 HB3 LEU 34 2HB LEU 34 13.682 2.998 11.806 238 HG LEU 34 HG LEU 34 14.151 2.992 9.360 239 HD11 LEU 34 1HD1 LEU 34 12.644 3.701 7.780 240 HD12 LEU 34 2HD1 LEU 34 11.667 4.588 8.949 241 HD13 LEU 34 3HD1 LEU 34 11.586 2.827 8.889 242 HD21 LEU 34 1HD2 LEU 34 13.830 5.599 9.198 243 HD22 LEU 34 2HD2 LEU 34 14.984 4.890 10.328 244 HD23 LEU 34 3HD2 LEU 34 13.403 5.426 10.900 245 H SER 35 H SER 35 14.946 1.054 11.109 246 HA SER 35 HA SER 35 15.769 0.650 8.553 247 HB2 SER 35 1HB SER 35 17.317 0.665 10.445 248 HB3 SER 35 2HB SER 35 16.693 -0.891 10.991 249 HG SER 35 HG SER 35 17.590 -1.870 9.235 250 H LYS 36 H LYS 36 14.600 -1.922 10.725 251 HA LYS 36 HA LYS 36 14.710 -3.999 8.841 252 HB2 LYS 36 1HB LYS 36 12.846 -3.725 11.206 253 HB3 LYS 36 2HB LYS 36 13.228 -5.219 10.361 254 HG2 LYS 36 1HG LYS 36 15.662 -4.726 11.005 255 HG3 LYS 36 2HG LYS 36 14.974 -3.577 12.154 256 HD2 LYS 36 1HD LYS 36 13.572 -5.447 13.053 257 HD3 LYS 36 2HD LYS 36 14.483 -6.549 12.017 258 HE2 LYS 36 1HE LYS 36 16.489 -6.149 13.182 259 HE3 LYS 36 2HE LYS 36 15.835 -4.719 13.980 260 HZ1 LYS 36 1HZ LYS 36 14.168 -6.414 14.970 261 HZ2 LYS 36 2HZ LYS 36 15.720 -6.289 15.632 262 HZ3 LYS 36 3HZ LYS 36 15.351 -7.557 14.575 263 H HIS 37 H HIS 37 12.202 -1.650 9.592 264 HA HIS 37 HA HIS 37 10.129 -2.833 8.085 265 HB2 HIS 37 1HB HIS 37 9.303 -1.230 9.516 266 HB3 HIS 37 2HB HIS 37 10.649 -0.130 9.233 267 HD1 HIS 37 1HD HIS 37 7.259 -1.014 8.007 268 HD2 HIS 37 2HD HIS 37 10.372 1.527 6.951 269 HE1 HIS 37 1HE HIS 37 6.281 0.587 6.332 270 H ARG 38 H ARG 38 12.210 -0.045 7.281 271 HA ARG 38 HA ARG 38 11.483 0.602 4.799 272 HB2 ARG 38 1HB ARG 38 14.396 0.042 5.280 273 HB3 ARG 38 2HB ARG 38 13.665 1.348 4.359 274 HG2 ARG 38 1HG ARG 38 12.669 1.957 6.742 275 HG3 ARG 38 2HG ARG 38 14.117 1.099 7.273 276 HD2 ARG 38 1HD ARG 38 15.237 2.635 5.420 277 HD3 ARG 38 2HD ARG 38 13.851 3.659 5.792 278 HE ARG 38 HE ARG 38 14.743 4.082 7.878 279 HH11 ARG 38 2HH1 ARG 38 16.559 1.583 6.274 280 HH12 ARG 38 1HH1 ARG 38 17.863 1.616 7.415 281 HH21 ARG 38 2HH2 ARG 38 16.453 4.135 9.387 282 HH22 ARG 38 1HH2 ARG 38 17.801 3.068 9.186 283 H ARG 39 H ARG 39 13.227 -2.342 5.647 284 HA ARG 39 HA ARG 39 13.906 -3.280 3.138 285 HB2 ARG 39 1HB ARG 39 12.981 -4.842 5.556 286 HB3 ARG 39 2HB ARG 39 13.740 -5.560 4.141 287 HG2 ARG 39 1HG ARG 39 15.648 -3.857 4.648 288 HG3 ARG 39 2HG ARG 39 14.931 -3.838 6.261 289 HD2 ARG 39 1HD ARG 39 16.732 -5.482 6.107 290 HD3 ARG 39 2HD ARG 39 15.179 -6.258 6.410 291 HE ARG 39 HE ARG 39 15.421 -6.341 3.709 292 HH11 ARG 39 2HH1 ARG 39 17.453 -7.344 6.351 293 HH12 ARG 39 1HH1 ARG 39 18.176 -8.649 5.471 294 HH21 ARG 39 2HH2 ARG 39 16.365 -8.056 2.539 295 HH22 ARG 39 1HH2 ARG 39 17.557 -9.053 3.303 296 H THR 40 H THR 40 10.865 -3.791 4.911 297 HA THR 40 HA THR 40 9.457 -5.460 3.358 298 HB THR 40 HB THR 40 8.524 -4.258 5.323 299 HG1 THR 40 1HG THR 40 7.072 -5.388 4.029 300 HG21 THR 40 1HG2 THR 40 8.094 -2.051 5.356 301 HG22 THR 40 2HG2 THR 40 7.450 -2.057 3.714 302 HG23 THR 40 3HG2 THR 40 9.191 -1.973 3.978 303 H HIS 41 H HIS 41 10.356 -2.185 2.492 304 HA HIS 41 HA HIS 41 8.686 -1.863 0.255 305 HB2 HIS 41 1HB HIS 41 11.349 -0.663 0.999 306 HB3 HIS 41 2HB HIS 41 10.511 -0.224 -0.487 307 HD1 HIS 41 1HD HIS 41 7.831 0.504 0.101 308 HD2 HIS 41 2HD HIS 41 10.768 1.055 2.988 309 HE1 HIS 41 1HE HIS 41 6.898 2.215 1.691 310 H THR 42 H THR 42 12.111 -2.848 0.394 311 HA THR 42 HA THR 42 13.448 -3.753 -1.255 312 HB THR 42 HB THR 42 12.226 -5.956 -2.131 313 HG1 THR 42 1HG THR 42 10.375 -6.313 -1.178 314 HG21 THR 42 1HG2 THR 42 13.237 -5.451 0.667 315 HG22 THR 42 2HG2 THR 42 14.158 -6.037 -0.719 316 HG23 THR 42 3HG2 THR 42 12.920 -7.057 0.013 317 H GLY 43 H GLY 43 11.891 -1.644 -2.323 318 HA2 GLY 43 1HA GLY 43 11.822 -2.509 -5.112 319 HA3 GLY 43 2HA GLY 43 10.337 -1.836 -4.456 320 H GLU 44 H GLU 44 11.650 -0.705 -6.634 321 HA GLU 44 HA GLU 44 13.000 1.660 -5.551 322 HB2 GLU 44 1HB GLU 44 12.897 0.368 -8.248 323 HB3 GLU 44 2HB GLU 44 13.275 2.081 -8.132 324 HG2 GLU 44 1HG GLU 44 15.339 0.973 -8.182 325 HG3 GLU 44 2HG GLU 44 15.091 1.442 -6.501 326 H LYS 45 H LYS 45 10.232 1.417 -5.088 327 HA LYS 45 HA LYS 45 9.020 3.312 -6.971 328 HB2 LYS 45 1HB LYS 45 7.881 1.414 -4.936 329 HB3 LYS 45 2HB LYS 45 6.913 2.722 -5.602 330 HG2 LYS 45 1HG LYS 45 7.242 1.840 -7.847 331 HG3 LYS 45 2HG LYS 45 8.242 0.539 -7.196 332 HD2 LYS 45 1HD LYS 45 6.191 -0.022 -5.745 333 HD3 LYS 45 2HD LYS 45 5.292 0.992 -6.876 334 HE2 LYS 45 1HE LYS 45 6.495 -0.496 -8.671 335 HE3 LYS 45 2HE LYS 45 6.650 -1.627 -7.328 336 HZ1 LYS 45 1HZ LYS 45 4.655 -2.210 -8.321 337 HZ2 LYS 45 2HZ LYS 45 4.193 -0.608 -8.604 338 HZ3 LYS 45 3HZ LYS 45 4.154 -1.234 -7.033 339 HA PRO 46 HA PRO 46 9.995 6.352 -3.790 340 HB2 PRO 46 1HB PRO 46 9.431 8.496 -5.356 341 HB3 PRO 46 2HB PRO 46 10.959 7.613 -5.452 342 HG2 PRO 46 1HG PRO 46 8.536 7.401 -7.198 343 HG3 PRO 46 2HG PRO 46 10.248 7.433 -7.659 344 HD2 PRO 46 1HD PRO 46 8.818 5.138 -7.524 345 HD3 PRO 46 2HD PRO 46 10.554 5.205 -7.158 346 H TYR 47 H TYR 47 7.117 5.321 -5.067 347 HA TYR 47 HA TYR 47 5.589 7.217 -3.408 348 HB2 TYR 47 1HB TYR 47 4.550 5.868 -5.903 349 HB3 TYR 47 2HB TYR 47 3.760 7.128 -4.962 350 HD1 TYR 47 2HD TYR 47 4.727 9.444 -4.968 351 HD2 TYR 47 1HD TYR 47 6.102 6.404 -7.609 352 HE1 TYR 47 2HE TYR 47 5.748 11.160 -6.403 353 HE2 TYR 47 1HE TYR 47 7.128 8.113 -9.051 354 HH TYR 47 HH TYR 47 7.427 10.283 -9.408 355 H LYS 48 H LYS 48 4.009 6.387 -2.095 356 HA LYS 48 HA LYS 48 2.972 3.769 -2.263 357 HB2 LYS 48 1HB LYS 48 5.435 3.452 -1.487 358 HB3 LYS 48 2HB LYS 48 4.852 4.047 0.061 359 HG2 LYS 48 1HG LYS 48 3.374 1.825 -1.246 360 HG3 LYS 48 2HG LYS 48 4.927 1.478 -0.482 361 HD2 LYS 48 1HD LYS 48 4.106 2.461 1.611 362 HD3 LYS 48 2HD LYS 48 2.550 2.787 0.843 363 HE2 LYS 48 1HE LYS 48 2.183 0.798 1.994 364 HE3 LYS 48 2HE LYS 48 2.508 0.263 0.346 365 HZ1 LYS 48 1HZ LYS 48 4.584 0.379 2.460 366 HZ2 LYS 48 2HZ LYS 48 4.703 -0.353 0.940 367 HZ3 LYS 48 3HZ LYS 48 3.682 -1.011 2.118 368 H CYS 49 H CYS 49 0.986 4.322 -1.635 369 HA CYS 49 HA CYS 49 0.443 6.346 0.291 370 HB2 CYS 49 1HB CYS 49 -1.139 5.889 -1.495 371 HB3 CYS 49 2HB CYS 49 -1.350 4.236 -0.927 372 H ASP 50 H ASP 50 -0.273 6.180 2.396 373 HA ASP 50 HA ASP 50 0.505 3.740 3.773 374 HB2 ASP 50 1HB ASP 50 -0.408 6.416 4.852 375 HB3 ASP 50 2HB ASP 50 0.178 5.073 5.831 376 H GLU 51 H GLU 51 -2.379 5.719 3.264 377 HA GLU 51 HA GLU 51 -4.167 4.519 4.968 378 HB2 GLU 51 1HB GLU 51 -4.544 5.645 2.200 379 HB3 GLU 51 2HB GLU 51 -5.897 5.046 3.151 380 HG2 GLU 51 1HG GLU 51 -5.587 7.492 3.289 381 HG3 GLU 51 2HG GLU 51 -5.513 6.680 4.852 382 H CYS 52 H CYS 52 -3.934 3.659 1.513 383 HA CYS 52 HA CYS 52 -5.205 1.117 2.004 384 HB2 CYS 52 1HB CYS 52 -5.046 0.794 -0.403 385 HB3 CYS 52 2HB CYS 52 -5.650 2.410 -0.056 386 H GLY 53 H GLY 53 -1.991 2.214 0.950 387 HA2 GLY 53 1HA GLY 53 0.015 1.171 1.708 388 HA3 GLY 53 2HA GLY 53 -0.892 -0.312 1.970 389 H LYS 54 H LYS 54 -1.070 1.643 -0.943 390 HA LYS 54 HA LYS 54 0.053 -0.626 -2.439 391 HB2 LYS 54 1HB LYS 54 -2.335 0.457 -2.834 392 HB3 LYS 54 2HB LYS 54 -1.404 1.602 -3.790 393 HG2 LYS 54 1HG LYS 54 -0.947 -1.293 -4.257 394 HG3 LYS 54 2HG LYS 54 -2.449 -0.578 -4.846 395 HD2 LYS 54 1HD LYS 54 -1.356 0.822 -6.325 396 HD3 LYS 54 2HD LYS 54 0.153 0.778 -5.411 397 HE2 LYS 54 1HE LYS 54 0.738 -1.316 -6.247 398 HE3 LYS 54 2HE LYS 54 -0.915 -1.692 -6.728 399 HZ1 LYS 54 1HZ LYS 54 1.144 -0.364 -8.199 400 HZ2 LYS 54 2HZ LYS 54 -0.287 0.537 -8.169 401 HZ3 LYS 54 3HZ LYS 54 -0.300 -1.052 -8.751 402 H ALA 55 H ALA 55 1.550 -0.258 -4.122 403 HA ALA 55 HA ALA 55 3.033 2.274 -3.851 404 HB1 ALA 55 1HB ALA 55 4.255 -0.220 -4.961 405 HB2 ALA 55 2HB ALA 55 5.032 1.153 -4.171 406 HB3 ALA 55 3HB ALA 55 4.101 -0.002 -3.217 407 H PHE 56 H PHE 56 3.863 3.273 -5.716 408 HA PHE 56 HA PHE 56 2.864 2.271 -8.287 409 HB2 PHE 56 1HB PHE 56 2.654 5.165 -7.436 410 HB3 PHE 56 2HB PHE 56 2.055 4.452 -8.931 411 HD1 PHE 56 1HD PHE 56 0.037 3.121 -8.957 412 HD2 PHE 56 2HD PHE 56 1.483 4.855 -5.348 413 HE1 PHE 56 1HE PHE 56 -2.137 2.695 -7.885 414 HE2 PHE 56 2HE PHE 56 -0.688 4.431 -4.271 415 HZ PHE 56 HZ PHE 56 -2.501 3.349 -5.539 416 H ILE 57 H ILE 57 4.029 3.004 -10.127 417 HA ILE 57 HA ILE 57 6.820 3.525 -9.546 418 HB ILE 57 HB ILE 57 5.574 3.219 -12.273 419 HG12 ILE 57 1HG1 ILE 57 6.804 0.981 -10.673 420 HG13 ILE 57 2HG1 ILE 57 5.078 1.321 -10.615 421 HG21 ILE 57 1HG2 ILE 57 7.747 4.000 -12.543 422 HG22 ILE 57 2HG2 ILE 57 8.355 3.069 -11.174 423 HG23 ILE 57 3HG2 ILE 57 7.929 2.251 -12.677 424 HD11 ILE 57 1HD1 ILE 57 4.716 0.540 -12.710 425 HD12 ILE 57 2HD1 ILE 57 6.319 1.004 -13.283 426 HD13 ILE 57 3HD1 ILE 57 6.121 -0.438 -12.287 427 H GLN 58 H GLN 58 4.368 4.985 -11.691 428 HA GLN 58 HA GLN 58 5.958 7.349 -12.075 429 HB2 GLN 58 1HB GLN 58 3.324 6.354 -13.039 430 HB3 GLN 58 2HB GLN 58 3.599 8.091 -13.076 431 HG2 GLN 58 1HG GLN 58 4.141 6.928 -15.196 432 HG3 GLN 58 2HG GLN 58 5.485 7.838 -14.508 433 HE21 GLN 58 1HE2 GLN 58 4.111 4.609 -14.809 434 HE22 GLN 58 2HE2 GLN 58 5.611 3.761 -14.689 435 H ARG 59 H ARG 59 4.737 9.535 -11.810 436 HA ARG 59 HA ARG 59 4.144 9.779 -8.989 437 HB2 ARG 59 1HB ARG 59 5.550 11.375 -10.536 438 HB3 ARG 59 2HB ARG 59 3.978 12.072 -10.904 439 HG2 ARG 59 1HG ARG 59 4.693 11.688 -8.050 440 HG3 ARG 59 2HG ARG 59 5.488 12.985 -8.943 441 HD2 ARG 59 1HD ARG 59 3.106 13.623 -9.696 442 HD3 ARG 59 2HD ARG 59 2.573 12.608 -8.357 443 HE ARG 59 HE ARG 59 3.775 15.212 -8.187 444 HH11 ARG 59 2HH1 ARG 59 3.218 12.206 -6.521 445 HH12 ARG 59 1HH1 ARG 59 3.377 12.901 -4.942 446 HH21 ARG 59 2HH2 ARG 59 3.987 16.138 -6.113 447 HH22 ARG 59 1HH2 ARG 59 3.814 15.138 -4.711 448 H SER 60 H SER 60 2.505 10.674 -12.026 449 HA SER 60 HA SER 60 0.116 11.567 -10.924 450 HB2 SER 60 1HB SER 60 -0.886 10.955 -13.160 451 HB3 SER 60 2HB SER 60 0.560 11.961 -13.248 452 HG SER 60 HG SER 60 1.496 9.571 -13.302 453 H HIS 61 H HIS 61 1.369 8.389 -11.124 454 HA HIS 61 HA HIS 61 -1.014 6.891 -11.163 455 HB2 HIS 61 1HB HIS 61 1.738 6.287 -10.086 456 HB3 HIS 61 2HB HIS 61 0.430 5.109 -10.057 457 HD1 HIS 61 1HD HIS 61 2.321 3.841 -11.613 458 HD2 HIS 61 2HD HIS 61 0.239 7.012 -13.308 459 HE1 HIS 61 1HE HIS 61 2.606 3.581 -14.098 460 H LEU 62 H LEU 62 0.593 8.652 -8.645 461 HA LEU 62 HA LEU 62 -1.116 7.449 -6.594 462 HB2 LEU 62 1HB LEU 62 1.175 7.576 -5.964 463 HB3 LEU 62 2HB LEU 62 1.278 9.266 -6.452 464 HG LEU 62 HG LEU 62 -0.367 9.754 -4.578 465 HD11 LEU 62 1HD1 LEU 62 -1.233 8.079 -3.418 466 HD12 LEU 62 2HD1 LEU 62 0.382 7.559 -2.937 467 HD13 LEU 62 3HD1 LEU 62 -0.344 6.928 -4.415 468 HD21 LEU 62 1HD2 LEU 62 2.345 8.652 -3.851 469 HD22 LEU 62 2HD2 LEU 62 1.385 9.773 -2.886 470 HD23 LEU 62 3HD2 LEU 62 2.020 10.278 -4.453 471 H ILE 63 H ILE 63 -0.368 10.550 -8.108 472 HA ILE 63 HA ILE 63 -1.835 12.286 -6.567 473 HB ILE 63 HB ILE 63 -1.675 12.339 -9.583 474 HG12 ILE 63 1HG1 ILE 63 0.168 13.507 -7.485 475 HG13 ILE 63 2HG1 ILE 63 0.547 12.183 -8.582 476 HG21 ILE 63 1HG2 ILE 63 -3.337 13.845 -8.274 477 HG22 ILE 63 2HG2 ILE 63 -1.889 14.743 -7.820 478 HG23 ILE 63 3HG2 ILE 63 -2.316 14.560 -9.521 479 HD11 ILE 63 1HD1 ILE 63 -0.320 14.525 -10.024 480 HD12 ILE 63 2HD1 ILE 63 1.056 14.873 -8.977 481 HD13 ILE 63 3HD1 ILE 63 1.165 13.586 -10.177 482 H GLY 64 H GLY 64 -3.003 10.170 -9.159 483 HA2 GLY 64 1HA GLY 64 -5.728 11.100 -8.859 484 HA3 GLY 64 2HA GLY 64 -5.169 9.828 -9.935 485 H HIS 65 H HIS 65 -3.911 8.155 -8.088 486 HA HIS 65 HA HIS 65 -5.955 6.520 -7.239 487 HB2 HIS 65 1HB HIS 65 -3.939 5.421 -7.216 488 HB3 HIS 65 2HB HIS 65 -3.079 6.788 -6.514 489 HD1 HIS 65 1HD HIS 65 -5.145 3.806 -5.575 490 HD2 HIS 65 2HD HIS 65 -2.975 6.831 -3.730 491 HE1 HIS 65 1HE HIS 65 -4.964 3.127 -3.160 492 H HIS 66 H HIS 66 -4.255 9.018 -5.386 493 HA HIS 66 HA HIS 66 -5.105 8.729 -2.866 494 HB2 HIS 66 1HB HIS 66 -4.841 11.165 -4.572 495 HB3 HIS 66 2HB HIS 66 -5.541 11.340 -2.966 496 HD1 HIS 66 1HD HIS 66 -2.396 11.460 -4.633 497 HD2 HIS 66 2HD HIS 66 -3.690 10.105 -0.925 498 HE1 HIS 66 1HE HIS 66 -0.332 11.349 -3.200 499 H ARG 67 H ARG 67 -7.138 9.660 -5.570 500 HA ARG 67 HA ARG 67 -9.396 10.635 -4.461 501 HB2 ARG 67 1HB ARG 67 -10.665 9.612 -6.251 502 HB3 ARG 67 2HB ARG 67 -9.106 10.141 -6.869 503 HG2 ARG 67 1HG ARG 67 -8.276 7.838 -6.713 504 HG3 ARG 67 2HG ARG 67 -9.860 7.320 -6.134 505 HD2 ARG 67 1HD ARG 67 -9.530 8.771 -8.740 506 HD3 ARG 67 2HD ARG 67 -9.330 7.023 -8.626 507 HE ARG 67 HE ARG 67 -11.783 8.455 -8.646 508 HH11 ARG 67 2HH1 ARG 67 -10.218 5.661 -7.280 509 HH12 ARG 67 1HH1 ARG 67 -11.694 4.779 -7.062 510 HH21 ARG 67 2HH2 ARG 67 -13.732 7.304 -8.364 511 HH22 ARG 67 1HH2 ARG 67 -13.692 5.715 -7.680 512 H VAL 68 H VAL 68 -8.522 7.193 -4.568 513 HA VAL 68 HA VAL 68 -10.697 5.967 -3.530 514 HB VAL 68 HB VAL 68 -9.263 4.301 -2.524 515 HG11 VAL 68 1HG1 VAL 68 -9.176 5.090 -5.173 516 HG12 VAL 68 2HG1 VAL 68 -7.479 4.871 -4.741 517 HG13 VAL 68 3HG1 VAL 68 -8.623 3.547 -4.522 518 HG21 VAL 68 1HG2 VAL 68 -6.799 4.673 -2.424 519 HG22 VAL 68 2HG2 VAL 68 -7.089 6.373 -2.796 520 HG23 VAL 68 3HG2 VAL 68 -7.723 5.676 -1.305 521 H HIS 69 H HIS 69 -8.310 7.826 -1.697 522 HA HIS 69 HA HIS 69 -9.888 7.472 0.743 523 HB2 HIS 69 1HB HIS 69 -7.244 8.903 0.492 524 HB3 HIS 69 2HB HIS 69 -7.994 8.264 1.952 525 HD1 HIS 69 1HD HIS 69 -8.338 5.482 1.764 526 HD2 HIS 69 2HD HIS 69 -5.317 7.275 -0.454 527 HE1 HIS 69 1HE HIS 69 -6.730 3.632 1.200 528 H THR 70 H THR 70 -9.896 9.537 2.175 529 HA THR 70 HA THR 70 -10.510 11.895 0.526 530 HB THR 70 HB THR 70 -12.451 12.384 1.994 531 HG1 THR 70 1HG THR 70 -11.569 10.020 3.186 532 HG21 THR 70 1HG2 THR 70 -13.379 11.503 0.138 533 HG22 THR 70 2HG2 THR 70 -13.693 10.108 1.170 534 HG23 THR 70 3HG2 THR 70 -12.277 10.127 0.120 535 H GLY 71 H GLY 71 -8.458 12.714 1.196 536 HA2 GLY 71 1HA GLY 71 -7.887 14.619 2.667 537 HA3 GLY 71 2HA GLY 71 -8.447 13.629 4.007 538 H SER 72 H SER 72 -6.377 13.997 4.988 539 HA SER 72 HA SER 72 -4.563 11.878 4.580 540 HB2 SER 72 1HB SER 72 -2.590 13.168 3.833 541 HB3 SER 72 2HB SER 72 -3.868 13.163 2.618 542 HG SER 72 HG SER 72 -2.862 15.252 4.135 543 H GLY 73 H GLY 73 -2.690 11.997 6.045 544 HA2 GLY 73 1HA GLY 73 -1.619 12.656 7.992 545 HA3 GLY 73 2HA GLY 73 -2.613 14.105 8.009 546 HA PRO 74 HA PRO 74 -4.153 10.583 10.926 547 HB2 PRO 74 1HB PRO 74 -2.668 11.019 13.156 548 HB3 PRO 74 2HB PRO 74 -2.194 9.875 11.895 549 HG2 PRO 74 1HG PRO 74 -1.257 12.680 12.357 550 HG3 PRO 74 2HG PRO 74 -0.312 11.241 11.931 551 HD2 PRO 74 1HD PRO 74 -1.031 13.106 10.104 552 HD3 PRO 74 2HD PRO 74 -0.865 11.386 9.698 553 H SER 75 H SER 75 -3.464 13.943 11.073 554 HA SER 75 HA SER 75 -4.640 14.764 13.432 555 HB2 SER 75 1HB SER 75 -4.715 16.905 12.519 556 HB3 SER 75 2HB SER 75 -3.481 16.130 11.526 557 HG SER 75 HG SER 75 -6.219 16.485 10.864 558 H SER 76 H SER 76 -6.701 15.230 14.109 559 HA SER 76 HA SER 76 -8.893 14.393 12.327 560 HB2 SER 76 1HB SER 76 -8.747 12.639 13.905 561 HB3 SER 76 2HB SER 76 -8.452 13.753 15.240 562 HG SER 76 HG SER 76 -10.871 13.489 13.776 563 H GLY 77 H GLY 77 -10.048 16.130 11.818 564 HA2 GLY 77 1HA GLY 77 -10.004 18.566 13.230 565 HA3 GLY 77 2HA GLY 77 -11.168 18.126 11.990 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -36.157 25.584 6.320 2 HA2 GLY 1 1HA GLY 1 -35.468 22.810 5.610 3 HA3 GLY 1 2HA GLY 1 -36.353 23.810 4.467 4 H SER 2 H SER 2 -33.641 22.536 4.384 5 HA SER 2 HA SER 2 -32.276 24.786 3.211 6 HB2 SER 2 1HB SER 2 -31.108 23.387 5.627 7 HB3 SER 2 2HB SER 2 -30.195 24.454 4.561 8 HG SER 2 HG SER 2 -32.448 25.134 6.146 9 H SER 3 H SER 3 -30.400 24.156 1.978 10 HA SER 3 HA SER 3 -29.992 21.289 1.608 11 HB2 SER 3 1HB SER 3 -30.837 23.171 -0.606 12 HB3 SER 3 2HB SER 3 -30.197 21.550 -0.877 13 HG SER 3 HG SER 3 -32.025 21.032 0.745 14 H GLY 4 H GLY 4 -27.935 20.761 1.068 15 HA2 GLY 4 1HA GLY 4 -26.102 22.278 -0.359 16 HA3 GLY 4 2HA GLY 4 -25.913 22.740 1.326 17 H SER 5 H SER 5 -26.033 19.878 -0.778 18 HA SER 5 HA SER 5 -24.825 18.129 1.089 19 HB2 SER 5 1HB SER 5 -25.295 18.039 -1.874 20 HB3 SER 5 2HB SER 5 -24.298 16.807 -1.102 21 HG SER 5 HG SER 5 -27.021 17.206 -0.987 22 H SER 6 H SER 6 -23.473 19.650 -1.842 23 HA SER 6 HA SER 6 -20.880 18.848 -1.690 24 HB2 SER 6 1HB SER 6 -20.274 20.782 -2.960 25 HB3 SER 6 2HB SER 6 -21.920 20.363 -3.434 26 HG SER 6 HG SER 6 -20.988 22.534 -1.940 27 H GLY 7 H GLY 7 -19.016 19.451 -0.628 28 HA2 GLY 7 1HA GLY 7 -18.273 21.519 0.848 29 HA3 GLY 7 2HA GLY 7 -19.444 20.786 1.934 30 H ARG 8 H ARG 8 -16.248 20.990 1.288 31 HA ARG 8 HA ARG 8 -15.723 18.405 2.590 32 HB2 ARG 8 1HB ARG 8 -15.146 18.409 0.127 33 HB3 ARG 8 2HB ARG 8 -13.928 19.624 0.492 34 HG2 ARG 8 1HG ARG 8 -12.753 17.614 0.454 35 HG3 ARG 8 2HG ARG 8 -13.002 17.940 2.171 36 HD2 ARG 8 1HD ARG 8 -14.855 16.202 0.561 37 HD3 ARG 8 2HD ARG 8 -13.432 15.564 1.383 38 HE ARG 8 HE ARG 8 -14.717 16.887 3.351 39 HH11 ARG 8 2HH1 ARG 8 -15.748 14.510 1.026 40 HH12 ARG 8 1HH1 ARG 8 -16.962 13.834 2.060 41 HH21 ARG 8 2HH2 ARG 8 -16.312 16.005 4.723 42 HH22 ARG 8 1HH2 ARG 8 -17.282 14.685 4.163 43 H SER 9 H SER 9 -14.178 18.403 4.174 44 HA SER 9 HA SER 9 -12.799 20.944 4.715 45 HB2 SER 9 1HB SER 9 -13.237 20.664 7.117 46 HB3 SER 9 2HB SER 9 -14.746 20.770 6.211 47 HG SER 9 HG SER 9 -13.916 18.817 7.817 48 H GLU 10 H GLU 10 -10.700 20.548 4.512 49 HA GLU 10 HA GLU 10 -9.528 17.987 4.675 50 HB2 GLU 10 1HB GLU 10 -8.251 20.723 4.820 51 HB3 GLU 10 2HB GLU 10 -7.368 19.217 4.622 52 HG2 GLU 10 1HG GLU 10 -7.499 19.893 2.455 53 HG3 GLU 10 2HG GLU 10 -8.965 18.920 2.563 54 H TRP 11 H TRP 11 -9.124 16.812 6.415 55 HA TRP 11 HA TRP 11 -9.432 17.751 9.050 56 HB2 TRP 11 1HB TRP 11 -8.557 15.231 7.765 57 HB3 TRP 11 2HB TRP 11 -8.002 15.485 9.418 58 HD1 TRP 11 HD TRP 11 -10.728 13.902 7.677 59 HE1 TRP 11 1HE TRP 11 -12.805 13.640 9.174 60 HE3 TRP 11 3HE TRP 11 -9.444 17.138 11.421 61 HZ2 TRP 11 2HZ TRP 11 -13.772 14.669 11.618 62 HZ3 TRP 11 3HZ TRP 11 -11.001 17.443 13.301 63 HH2 TRP 11 HH TRP 11 -13.120 16.234 13.396 64 H GLN 12 H GLN 12 -7.942 18.202 10.668 65 HA GLN 12 HA GLN 12 -5.145 18.523 9.822 66 HB2 GLN 12 1HB GLN 12 -5.108 20.642 11.198 67 HB3 GLN 12 2HB GLN 12 -6.018 20.728 9.696 68 HG2 GLN 12 1HG GLN 12 -7.507 21.734 11.069 69 HG3 GLN 12 2HG GLN 12 -8.015 20.061 11.296 70 HE21 GLN 12 1HE2 GLN 12 -5.954 22.586 12.648 71 HE22 GLN 12 2HE2 GLN 12 -6.078 22.059 14.289 72 H GLN 13 H GLN 13 -6.140 16.349 11.257 73 HA GLN 13 HA GLN 13 -5.928 16.638 14.056 74 HB2 GLN 13 1HB GLN 13 -5.543 14.212 12.297 75 HB3 GLN 13 2HB GLN 13 -5.636 14.159 14.052 76 HG2 GLN 13 1HG GLN 13 -7.823 15.264 12.312 77 HG3 GLN 13 2HG GLN 13 -7.747 13.583 12.837 78 HE21 GLN 13 1HE2 GLN 13 -9.939 14.868 13.517 79 HE22 GLN 13 2HE2 GLN 13 -9.945 15.296 15.191 80 H ARG 14 H ARG 14 -4.230 16.600 15.417 81 HA ARG 14 HA ARG 14 -1.576 16.759 14.254 82 HB2 ARG 14 1HB ARG 14 -2.780 17.405 16.911 83 HB3 ARG 14 2HB ARG 14 -1.047 17.119 16.817 84 HG2 ARG 14 1HG ARG 14 -2.498 19.121 15.106 85 HG3 ARG 14 2HG ARG 14 -1.740 19.512 16.651 86 HD2 ARG 14 1HD ARG 14 -0.114 18.093 14.608 87 HD3 ARG 14 2HD ARG 14 -0.463 19.802 14.349 88 HE ARG 14 HE ARG 14 1.331 18.680 16.279 89 HH11 ARG 14 2HH1 ARG 14 -0.749 21.382 15.578 90 HH12 ARG 14 1HH1 ARG 14 0.116 22.481 16.601 91 HH21 ARG 14 2HH2 ARG 14 2.478 20.117 17.628 92 HH22 ARG 14 1HH2 ARG 14 1.952 21.761 17.766 93 H GLU 15 H GLU 15 -1.139 14.635 13.640 94 HA GLU 15 HA GLU 15 -1.523 12.320 15.080 95 HB2 GLU 15 1HB GLU 15 0.715 13.071 13.199 96 HB3 GLU 15 2HB GLU 15 0.496 11.445 13.832 97 HG2 GLU 15 1HG GLU 15 -1.430 12.978 12.103 98 HG3 GLU 15 2HG GLU 15 -0.449 11.592 11.629 99 H ARG 16 H ARG 16 -0.861 11.690 17.014 100 HA ARG 16 HA ARG 16 1.013 13.111 18.563 101 HB2 ARG 16 1HB ARG 16 0.862 11.108 20.096 102 HB3 ARG 16 2HB ARG 16 -0.668 11.880 19.705 103 HG2 ARG 16 1HG ARG 16 -1.405 10.113 18.459 104 HG3 ARG 16 2HG ARG 16 0.227 9.590 18.037 105 HD2 ARG 16 1HD ARG 16 0.496 8.986 20.495 106 HD3 ARG 16 2HD ARG 16 -1.250 9.195 20.624 107 HE ARG 16 HE ARG 16 0.154 7.019 19.356 108 HH11 ARG 16 2HH1 ARG 16 -2.845 8.770 19.602 109 HH12 ARG 16 1HH1 ARG 16 -3.812 7.453 19.023 110 HH21 ARG 16 2HH2 ARG 16 -1.108 5.279 18.594 111 HH22 ARG 16 1HH2 ARG 16 -2.823 5.468 18.451 112 H ARG 17 H ARG 17 1.526 11.033 16.017 113 HA ARG 17 HA ARG 17 4.182 10.245 17.016 114 HB2 ARG 17 1HB ARG 17 4.152 8.454 15.370 115 HB3 ARG 17 2HB ARG 17 2.722 8.362 16.389 116 HG2 ARG 17 1HG ARG 17 1.668 9.789 14.435 117 HG3 ARG 17 2HG ARG 17 2.963 9.027 13.509 118 HD2 ARG 17 1HD ARG 17 2.165 6.854 14.008 119 HD3 ARG 17 2HD ARG 17 1.068 7.466 15.245 120 HE ARG 17 HE ARG 17 0.536 8.490 12.611 121 HH11 ARG 17 2HH1 ARG 17 -0.057 5.892 14.852 122 HH12 ARG 17 1HH1 ARG 17 -1.550 5.420 14.112 123 HH21 ARG 17 2HH2 ARG 17 -1.429 7.878 11.628 124 HH22 ARG 17 1HH2 ARG 17 -2.330 6.550 12.277 125 H ARG 18 H ARG 18 5.999 10.725 15.841 126 HA ARG 18 HA ARG 18 5.825 12.957 14.065 127 HB2 ARG 18 1HB ARG 18 8.118 11.244 15.010 128 HB3 ARG 18 2HB ARG 18 8.337 12.553 13.857 129 HG2 ARG 18 1HG ARG 18 7.026 13.016 16.510 130 HG3 ARG 18 2HG ARG 18 8.781 13.031 16.327 131 HD2 ARG 18 1HD ARG 18 8.248 14.676 14.357 132 HD3 ARG 18 2HD ARG 18 6.736 14.908 15.234 133 HE ARG 18 HE ARG 18 8.834 15.175 17.053 134 HH11 ARG 18 2HH1 ARG 18 7.558 16.799 14.250 135 HH12 ARG 18 1HH1 ARG 18 8.110 18.365 14.744 136 HH21 ARG 18 2HH2 ARG 18 9.566 17.231 17.714 137 HH22 ARG 18 1HH2 ARG 18 9.253 18.610 16.715 138 H TYR 19 H TYR 19 7.171 9.680 13.619 139 HA TYR 19 HA TYR 19 6.416 9.871 10.777 140 HB2 TYR 19 1HB TYR 19 8.916 8.700 11.999 141 HB3 TYR 19 2HB TYR 19 8.416 8.377 10.343 142 HD1 TYR 19 2HD TYR 19 9.321 11.132 12.668 143 HD2 TYR 19 1HD TYR 19 8.976 9.864 8.622 144 HE1 TYR 19 2HE TYR 19 10.452 13.189 11.933 145 HE2 TYR 19 1HE TYR 19 10.107 11.917 7.876 146 HH TYR 19 HH TYR 19 11.190 14.369 10.210 147 H LYS 20 H LYS 20 5.838 7.902 9.741 148 HA LYS 20 HA LYS 20 5.543 5.491 11.294 149 HB2 LYS 20 1HB LYS 20 3.578 6.718 12.046 150 HB3 LYS 20 2HB LYS 20 3.100 7.020 10.380 151 HG2 LYS 20 1HG LYS 20 2.800 4.607 10.045 152 HG3 LYS 20 2HG LYS 20 3.232 4.333 11.734 153 HD2 LYS 20 1HD LYS 20 1.320 5.894 12.325 154 HD3 LYS 20 2HD LYS 20 0.824 5.766 10.636 155 HE2 LYS 20 1HE LYS 20 -0.442 4.138 11.741 156 HE3 LYS 20 2HE LYS 20 0.879 3.237 11.001 157 HZ1 LYS 20 1HZ LYS 20 0.817 2.404 13.134 158 HZ2 LYS 20 2HZ LYS 20 0.454 3.898 13.839 159 HZ3 LYS 20 3HZ LYS 20 2.017 3.590 13.268 160 H CYS 21 H CYS 21 5.507 3.715 10.020 161 HA CYS 21 HA CYS 21 5.816 4.119 7.170 162 HB2 CYS 21 1HB CYS 21 7.182 2.517 8.679 163 HB3 CYS 21 2HB CYS 21 5.795 1.443 8.540 164 H ASP 22 H ASP 22 3.618 4.828 6.778 165 HA ASP 22 HA ASP 22 1.270 3.569 7.296 166 HB2 ASP 22 1HB ASP 22 2.256 5.135 4.960 167 HB3 ASP 22 2HB ASP 22 0.719 4.292 4.790 168 H GLU 23 H GLU 23 3.823 2.425 5.264 169 HA GLU 23 HA GLU 23 2.485 0.648 3.601 170 HB2 GLU 23 1HB GLU 23 5.239 0.760 4.746 171 HB3 GLU 23 2HB GLU 23 4.731 -0.714 3.933 172 HG2 GLU 23 1HG GLU 23 4.307 1.883 2.554 173 HG3 GLU 23 2HG GLU 23 5.939 1.222 2.637 174 H CYS 24 H CYS 24 4.046 -0.115 6.718 175 HA CYS 24 HA CYS 24 2.407 -2.540 6.884 176 HB2 CYS 24 1HB CYS 24 3.962 -3.166 8.737 177 HB3 CYS 24 2HB CYS 24 4.764 -2.938 7.186 178 H GLY 25 H GLY 25 3.387 0.248 8.871 179 HA2 GLY 25 1HA GLY 25 1.463 1.405 9.974 180 HA3 GLY 25 2HA GLY 25 0.954 -0.196 10.490 181 H LYS 26 H LYS 26 4.284 0.927 10.440 182 HA LYS 26 HA LYS 26 4.334 0.653 13.369 183 HB2 LYS 26 1HB LYS 26 5.815 -0.781 11.765 184 HB3 LYS 26 2HB LYS 26 6.796 0.675 11.657 185 HG2 LYS 26 1HG LYS 26 7.372 0.600 13.915 186 HG3 LYS 26 2HG LYS 26 6.053 -0.504 14.308 187 HD2 LYS 26 1HD LYS 26 7.220 -2.192 12.808 188 HD3 LYS 26 2HD LYS 26 8.607 -1.100 12.833 189 HE2 LYS 26 1HE LYS 26 8.854 -1.333 15.182 190 HE3 LYS 26 2HE LYS 26 7.297 -2.145 15.333 191 HZ1 LYS 26 1HZ LYS 26 8.614 -3.734 13.603 192 HZ2 LYS 26 2HZ LYS 26 8.516 -3.999 15.271 193 HZ3 LYS 26 3HZ LYS 26 9.870 -3.226 14.616 194 H SER 27 H SER 27 5.703 2.118 14.579 195 HA SER 27 HA SER 27 6.091 4.718 13.249 196 HB2 SER 27 1HB SER 27 5.385 5.828 15.340 197 HB3 SER 27 2HB SER 27 4.095 4.833 14.664 198 HG SER 27 HG SER 27 5.036 4.715 17.084 199 H PHE 28 H PHE 28 7.797 6.013 14.037 200 HA PHE 28 HA PHE 28 9.663 4.715 15.890 201 HB2 PHE 28 1HB PHE 28 10.505 5.956 13.264 202 HB3 PHE 28 2HB PHE 28 11.556 5.182 14.445 203 HD1 PHE 28 1HD PHE 28 8.883 4.591 11.976 204 HD2 PHE 28 2HD PHE 28 11.837 2.836 14.489 205 HE1 PHE 28 1HE PHE 28 8.571 2.435 10.832 206 HE2 PHE 28 2HE PHE 28 11.529 0.678 13.349 207 HZ PHE 28 HZ PHE 28 9.896 0.475 11.517 208 H SER 29 H SER 29 10.970 6.111 17.077 209 HA SER 29 HA SER 29 9.880 8.712 17.520 210 HB2 SER 29 1HB SER 29 12.420 7.476 18.612 211 HB3 SER 29 2HB SER 29 11.630 8.926 19.230 212 HG SER 29 HG SER 29 11.122 6.952 20.381 213 H HIS 30 H HIS 30 12.819 7.473 16.004 214 HA HIS 30 HA HIS 30 13.495 10.212 15.169 215 HB2 HIS 30 1HB HIS 30 15.133 8.573 16.459 216 HB3 HIS 30 2HB HIS 30 15.414 7.949 14.836 217 HD1 HIS 30 1HD HIS 30 16.725 9.430 13.208 218 HD2 HIS 30 2HD HIS 30 16.076 11.192 16.915 219 HE1 HIS 30 1HE HIS 30 18.215 11.455 13.260 220 H SER 31 H SER 31 13.541 10.748 13.059 221 HA SER 31 HA SER 31 12.184 9.226 11.160 222 HB2 SER 31 1HB SER 31 13.163 10.832 9.492 223 HB3 SER 31 2HB SER 31 12.385 11.609 10.871 224 HG SER 31 HG SER 31 15.024 11.612 10.103 225 H SER 32 H SER 32 15.677 9.682 11.613 226 HA SER 32 HA SER 32 16.711 8.350 9.479 227 HB2 SER 32 1HB SER 32 18.060 9.419 11.267 228 HB3 SER 32 2HB SER 32 17.699 8.056 12.326 229 HG SER 32 HG SER 32 18.950 6.762 11.120 230 H ASP 33 H ASP 33 16.057 6.744 12.598 231 HA ASP 33 HA ASP 33 16.521 4.161 12.017 232 HB2 ASP 33 1HB ASP 33 14.021 5.085 13.447 233 HB3 ASP 33 2HB ASP 33 14.823 3.527 13.629 234 H LEU 34 H LEU 34 13.339 5.673 11.441 235 HA LEU 34 HA LEU 34 12.055 3.616 10.183 236 HB2 LEU 34 1HB LEU 34 10.836 5.575 10.634 237 HB3 LEU 34 2HB LEU 34 11.948 6.577 9.705 238 HG LEU 34 HG LEU 34 11.106 5.311 7.653 239 HD11 LEU 34 1HD1 LEU 34 9.988 3.578 9.240 240 HD12 LEU 34 2HD1 LEU 34 9.176 4.057 7.749 241 HD13 LEU 34 3HD1 LEU 34 8.672 4.752 9.290 242 HD21 LEU 34 1HD2 LEU 34 10.327 7.423 7.564 243 HD22 LEU 34 2HD2 LEU 34 9.766 7.403 9.236 244 HD23 LEU 34 3HD2 LEU 34 8.791 6.656 7.969 245 H SER 35 H SER 35 14.221 5.992 8.676 246 HA SER 35 HA SER 35 14.011 5.349 6.036 247 HB2 SER 35 1HB SER 35 15.517 7.100 7.037 248 HB3 SER 35 2HB SER 35 16.662 5.814 7.420 249 HG SER 35 HG SER 35 17.248 6.665 5.456 250 H LYS 36 H LYS 36 15.970 3.655 8.460 251 HA LYS 36 HA LYS 36 17.039 1.742 6.658 252 HB2 LYS 36 1HB LYS 36 16.769 1.803 9.661 253 HB3 LYS 36 2HB LYS 36 17.518 0.458 8.810 254 HG2 LYS 36 1HG LYS 36 19.372 1.676 9.278 255 HG3 LYS 36 2HG LYS 36 18.943 2.406 7.729 256 HD2 LYS 36 1HD LYS 36 18.017 4.304 8.758 257 HD3 LYS 36 2HD LYS 36 17.935 3.514 10.334 258 HE2 LYS 36 1HE LYS 36 19.761 4.930 10.554 259 HE3 LYS 36 2HE LYS 36 20.506 3.384 10.148 260 HZ1 LYS 36 1HZ LYS 36 20.696 5.828 8.779 261 HZ2 LYS 36 2HZ LYS 36 19.947 4.706 7.759 262 HZ3 LYS 36 3HZ LYS 36 21.462 4.361 8.426 263 H HIS 37 H HIS 37 14.186 1.815 8.722 264 HA HIS 37 HA HIS 37 13.434 -0.866 8.546 265 HB2 HIS 37 1HB HIS 37 12.253 0.414 10.115 266 HB3 HIS 37 2HB HIS 37 11.885 1.678 8.945 267 HD1 HIS 37 1HD HIS 37 10.867 -1.846 9.852 268 HD2 HIS 37 2HD HIS 37 9.497 1.385 7.629 269 HE1 HIS 37 1HE HIS 37 8.528 -2.453 9.155 270 H ARG 38 H ARG 38 12.618 1.868 6.434 271 HA ARG 38 HA ARG 38 10.827 0.719 4.720 272 HB2 ARG 38 1HB ARG 38 12.924 2.803 4.413 273 HB3 ARG 38 2HB ARG 38 12.216 2.157 2.938 274 HG2 ARG 38 1HG ARG 38 10.980 4.087 3.505 275 HG3 ARG 38 2HG ARG 38 9.963 2.701 3.902 276 HD2 ARG 38 1HD ARG 38 10.163 3.028 6.163 277 HD3 ARG 38 2HD ARG 38 11.733 3.817 6.017 278 HE ARG 38 HE ARG 38 10.653 5.821 5.869 279 HH11 ARG 38 2HH1 ARG 38 8.394 3.278 5.128 280 HH12 ARG 38 1HH1 ARG 38 7.027 4.339 5.042 281 HH21 ARG 38 2HH2 ARG 38 8.862 7.228 5.758 282 HH22 ARG 38 1HH2 ARG 38 7.295 6.586 5.400 283 H ARG 39 H ARG 39 14.235 0.073 4.983 284 HA ARG 39 HA ARG 39 14.784 -1.082 2.525 285 HB2 ARG 39 1HB ARG 39 15.816 -1.824 5.266 286 HB3 ARG 39 2HB ARG 39 16.496 -2.430 3.762 287 HG2 ARG 39 1HG ARG 39 16.888 -0.025 3.111 288 HG3 ARG 39 2HG ARG 39 16.477 0.397 4.775 289 HD2 ARG 39 1HD ARG 39 18.590 -1.636 4.127 290 HD3 ARG 39 2HD ARG 39 18.951 0.088 4.199 291 HE ARG 39 HE ARG 39 17.763 -0.305 6.557 292 HH11 ARG 39 2HH1 ARG 39 20.260 -2.094 4.920 293 HH12 ARG 39 1HH1 ARG 39 21.016 -2.632 6.383 294 HH21 ARG 39 2HH2 ARG 39 18.749 -1.006 8.491 295 HH22 ARG 39 1HH2 ARG 39 20.155 -2.013 8.414 296 H THR 40 H THR 40 13.311 -2.528 5.398 297 HA THR 40 HA THR 40 13.220 -5.181 4.566 298 HB THR 40 HB THR 40 12.634 -4.426 6.852 299 HG1 THR 40 1HG THR 40 10.785 -6.028 5.407 300 HG21 THR 40 1HG2 THR 40 11.041 -2.912 7.222 301 HG22 THR 40 2HG2 THR 40 9.843 -3.933 6.427 302 HG23 THR 40 3HG2 THR 40 10.794 -2.788 5.481 303 H HIS 41 H HIS 41 11.403 -2.455 3.485 304 HA HIS 41 HA HIS 41 9.414 -4.142 2.164 305 HB2 HIS 41 1HB HIS 41 9.641 -1.140 2.441 306 HB3 HIS 41 2HB HIS 41 8.367 -1.952 1.536 307 HD1 HIS 41 1HD HIS 41 6.956 -3.756 3.104 308 HD2 HIS 41 2HD HIS 41 8.976 -0.670 5.016 309 HE1 HIS 41 1HE HIS 41 5.904 -3.573 5.380 310 H THR 42 H THR 42 10.340 -5.069 0.412 311 HA THR 42 HA THR 42 11.661 -3.283 -1.526 312 HB THR 42 HB THR 42 12.621 -5.473 -2.454 313 HG1 THR 42 1HG THR 42 11.213 -6.833 -1.172 314 HG21 THR 42 1HG2 THR 42 14.511 -4.873 -1.420 315 HG22 THR 42 2HG2 THR 42 13.856 -5.278 0.167 316 HG23 THR 42 3HG2 THR 42 13.542 -3.693 -0.538 317 H GLY 43 H GLY 43 11.399 -3.941 -3.828 318 HA2 GLY 43 1HA GLY 43 9.809 -5.604 -5.097 319 HA3 GLY 43 2HA GLY 43 8.591 -4.617 -4.305 320 H GLU 44 H GLU 44 9.278 -5.026 -7.181 321 HA GLU 44 HA GLU 44 9.987 -2.271 -7.916 322 HB2 GLU 44 1HB GLU 44 10.213 -4.900 -9.327 323 HB3 GLU 44 2HB GLU 44 10.095 -3.423 -10.272 324 HG2 GLU 44 1HG GLU 44 12.126 -3.706 -8.093 325 HG3 GLU 44 2HG GLU 44 12.420 -4.341 -9.711 326 H LYS 45 H LYS 45 8.105 -1.151 -7.812 327 HA LYS 45 HA LYS 45 5.791 -2.218 -9.282 328 HB2 LYS 45 1HB LYS 45 5.920 -0.053 -7.175 329 HB3 LYS 45 2HB LYS 45 4.457 -0.571 -8.001 330 HG2 LYS 45 1HG LYS 45 4.472 -1.624 -5.883 331 HG3 LYS 45 2HG LYS 45 4.859 -2.866 -7.077 332 HD2 LYS 45 1HD LYS 45 7.024 -3.067 -6.367 333 HD3 LYS 45 2HD LYS 45 7.113 -1.392 -5.816 334 HE2 LYS 45 1HE LYS 45 5.325 -2.248 -4.070 335 HE3 LYS 45 2HE LYS 45 6.068 -3.806 -4.424 336 HZ1 LYS 45 1HZ LYS 45 8.252 -2.664 -3.945 337 HZ2 LYS 45 2HZ LYS 45 7.245 -2.935 -2.613 338 HZ3 LYS 45 3HZ LYS 45 7.349 -1.390 -3.294 339 HA PRO 46 HA PRO 46 6.386 0.806 -12.430 340 HB2 PRO 46 1HB PRO 46 3.867 0.849 -13.442 341 HB3 PRO 46 2HB PRO 46 4.990 -0.486 -13.720 342 HG2 PRO 46 1HG PRO 46 2.752 -0.274 -11.743 343 HG3 PRO 46 2HG PRO 46 3.211 -1.645 -12.771 344 HD2 PRO 46 1HD PRO 46 3.879 -1.501 -10.151 345 HD3 PRO 46 2HD PRO 46 4.909 -2.299 -11.357 346 H TYR 47 H TYR 47 4.754 1.343 -9.613 347 HA TYR 47 HA TYR 47 4.389 4.175 -10.266 348 HB2 TYR 47 1HB TYR 47 2.343 2.575 -8.718 349 HB3 TYR 47 2HB TYR 47 2.244 4.279 -9.149 350 HD1 TYR 47 2HD TYR 47 1.807 4.946 -11.478 351 HD2 TYR 47 1HD TYR 47 1.815 0.855 -10.309 352 HE1 TYR 47 2HE TYR 47 0.647 4.354 -13.564 353 HE2 TYR 47 1HE TYR 47 0.657 0.251 -12.393 354 HH TYR 47 HH TYR 47 -0.967 1.669 -14.073 355 H LYS 48 H LYS 48 4.969 5.560 -8.667 356 HA LYS 48 HA LYS 48 5.230 4.722 -5.931 357 HB2 LYS 48 1HB LYS 48 7.288 3.773 -6.648 358 HB3 LYS 48 2HB LYS 48 7.674 5.176 -7.635 359 HG2 LYS 48 1HG LYS 48 7.959 6.523 -5.621 360 HG3 LYS 48 2HG LYS 48 7.561 5.120 -4.626 361 HD2 LYS 48 1HD LYS 48 9.521 4.015 -5.996 362 HD3 LYS 48 2HD LYS 48 10.016 5.695 -6.216 363 HE2 LYS 48 1HE LYS 48 11.137 5.159 -4.285 364 HE3 LYS 48 2HE LYS 48 9.643 5.825 -3.628 365 HZ1 LYS 48 1HZ LYS 48 9.575 3.922 -2.485 366 HZ2 LYS 48 2HZ LYS 48 10.666 3.132 -3.507 367 HZ3 LYS 48 3HZ LYS 48 9.030 3.222 -3.926 368 H CYS 49 H CYS 49 5.378 6.441 -4.515 369 HA CYS 49 HA CYS 49 4.935 9.066 -5.719 370 HB2 CYS 49 1HB CYS 49 3.280 8.410 -4.100 371 HB3 CYS 49 2HB CYS 49 4.521 8.025 -2.913 372 H ASP 50 H ASP 50 6.166 10.866 -5.260 373 HA ASP 50 HA ASP 50 8.867 10.309 -4.328 374 HB2 ASP 50 1HB ASP 50 7.647 12.751 -5.629 375 HB3 ASP 50 2HB ASP 50 9.338 12.626 -5.151 376 H GLU 51 H GLU 51 6.166 12.476 -3.564 377 HA GLU 51 HA GLU 51 7.247 14.021 -1.584 378 HB2 GLU 51 1HB GLU 51 4.490 12.779 -1.556 379 HB3 GLU 51 2HB GLU 51 4.992 14.183 -0.625 380 HG2 GLU 51 1HG GLU 51 5.585 15.191 -2.936 381 HG3 GLU 51 2HG GLU 51 4.518 13.935 -3.561 382 H CYS 52 H CYS 52 5.530 10.947 -0.995 383 HA CYS 52 HA CYS 52 6.641 10.796 1.677 384 HB2 CYS 52 1HB CYS 52 5.258 8.785 1.910 385 HB3 CYS 52 2HB CYS 52 4.310 10.133 1.291 386 H GLY 53 H GLY 53 6.816 8.922 -1.339 387 HA2 GLY 53 1HA GLY 53 8.858 7.967 -2.118 388 HA3 GLY 53 2HA GLY 53 9.430 7.914 -0.458 389 H LYS 54 H LYS 54 6.252 6.827 -1.463 390 HA LYS 54 HA LYS 54 7.053 4.081 -0.758 391 HB2 LYS 54 1HB LYS 54 5.276 5.345 0.625 392 HB3 LYS 54 2HB LYS 54 4.219 5.090 -0.758 393 HG2 LYS 54 1HG LYS 54 5.020 2.589 -0.449 394 HG3 LYS 54 2HG LYS 54 5.285 3.140 1.206 395 HD2 LYS 54 1HD LYS 54 2.694 3.512 -0.289 396 HD3 LYS 54 2HD LYS 54 3.025 2.140 0.771 397 HE2 LYS 54 1HE LYS 54 3.125 3.492 2.678 398 HE3 LYS 54 2HE LYS 54 3.332 4.966 1.732 399 HZ1 LYS 54 1HZ LYS 54 0.958 3.862 2.695 400 HZ2 LYS 54 2HZ LYS 54 0.905 3.755 1.007 401 HZ3 LYS 54 3HZ LYS 54 1.152 5.254 1.752 402 H ALA 55 H ALA 55 6.218 2.340 -1.986 403 HA ALA 55 HA ALA 55 5.584 3.089 -4.754 404 HB1 ALA 55 1HB ALA 55 7.569 1.732 -4.520 405 HB2 ALA 55 2HB ALA 55 6.665 0.510 -3.625 406 HB3 ALA 55 3HB ALA 55 6.307 0.800 -5.327 407 H PHE 56 H PHE 56 4.048 1.738 -5.938 408 HA PHE 56 HA PHE 56 2.115 0.264 -4.339 409 HB2 PHE 56 1HB PHE 56 1.120 2.474 -6.127 410 HB3 PHE 56 2HB PHE 56 0.231 1.572 -4.904 411 HD1 PHE 56 2HD PHE 56 2.877 4.106 -5.397 412 HD2 PHE 56 1HD PHE 56 0.138 2.310 -2.679 413 HE1 PHE 56 2HE PHE 56 3.355 5.873 -3.754 414 HE2 PHE 56 1HE PHE 56 0.612 4.074 -1.031 415 HZ PHE 56 HZ PHE 56 2.223 5.858 -1.567 416 H ILE 57 H ILE 57 1.250 -1.406 -5.428 417 HA ILE 57 HA ILE 57 2.285 -2.179 -7.921 418 HB ILE 57 HB ILE 57 -0.197 -3.177 -6.518 419 HG12 ILE 57 1HG1 ILE 57 1.571 -5.120 -6.118 420 HG13 ILE 57 2HG1 ILE 57 2.715 -3.795 -6.297 421 HG21 ILE 57 1HG2 ILE 57 1.045 -5.158 -8.130 422 HG22 ILE 57 2HG2 ILE 57 -0.573 -4.475 -8.275 423 HG23 ILE 57 3HG2 ILE 57 0.779 -3.724 -9.121 424 HD11 ILE 57 1HD1 ILE 57 1.721 -4.498 -3.954 425 HD12 ILE 57 2HD1 ILE 57 2.098 -2.820 -4.346 426 HD13 ILE 57 3HD1 ILE 57 0.435 -3.398 -4.451 427 H GLN 58 H GLN 58 -1.090 -1.310 -7.141 428 HA GLN 58 HA GLN 58 -1.637 -0.844 -9.952 429 HB2 GLN 58 1HB GLN 58 -3.402 -0.659 -7.506 430 HB3 GLN 58 2HB GLN 58 -3.959 -0.402 -9.154 431 HG2 GLN 58 1HG GLN 58 -2.946 -2.777 -9.551 432 HG3 GLN 58 2HG GLN 58 -3.129 -2.921 -7.804 433 HE21 GLN 58 1HE2 GLN 58 -4.484 -4.430 -9.828 434 HE22 GLN 58 2HE2 GLN 58 -6.174 -4.121 -9.645 435 H ARG 59 H ARG 59 -2.251 1.120 -10.854 436 HA ARG 59 HA ARG 59 -0.919 3.404 -9.966 437 HB2 ARG 59 1HB ARG 59 -2.354 4.620 -11.625 438 HB3 ARG 59 2HB ARG 59 -1.519 3.215 -12.274 439 HG2 ARG 59 1HG ARG 59 -3.706 1.953 -11.773 440 HG3 ARG 59 2HG ARG 59 -4.426 3.561 -11.664 441 HD2 ARG 59 1HD ARG 59 -2.780 2.712 -14.028 442 HD3 ARG 59 2HD ARG 59 -4.507 2.371 -13.927 443 HE ARG 59 HE ARG 59 -3.280 4.893 -14.491 444 HH11 ARG 59 2HH1 ARG 59 -6.087 3.357 -13.119 445 HH12 ARG 59 1HH1 ARG 59 -7.129 4.711 -13.406 446 HH21 ARG 59 2HH2 ARG 59 -4.642 6.682 -14.874 447 HH22 ARG 59 1HH2 ARG 59 -6.307 6.601 -14.405 448 H SER 60 H SER 60 -4.392 2.631 -9.795 449 HA SER 60 HA SER 60 -5.364 4.889 -8.605 450 HB2 SER 60 1HB SER 60 -6.782 2.996 -9.275 451 HB3 SER 60 2HB SER 60 -6.149 2.042 -7.934 452 HG SER 60 HG SER 60 -7.638 2.929 -6.766 453 H HIS 61 H HIS 61 -3.918 2.100 -6.941 454 HA HIS 61 HA HIS 61 -4.217 2.779 -4.326 455 HB2 HIS 61 1HB HIS 61 -1.782 1.614 -5.683 456 HB3 HIS 61 2HB HIS 61 -1.976 1.691 -3.935 457 HD1 HIS 61 1HD HIS 61 -1.856 -0.946 -3.961 458 HD2 HIS 61 2HD HIS 61 -5.160 0.699 -5.870 459 HE1 HIS 61 1HE HIS 61 -3.482 -2.844 -4.247 460 H LEU 62 H LEU 62 -2.039 4.247 -6.648 461 HA LEU 62 HA LEU 62 -0.829 5.928 -4.598 462 HB2 LEU 62 1HB LEU 62 0.755 5.182 -6.137 463 HB3 LEU 62 2HB LEU 62 -0.315 5.459 -7.511 464 HG LEU 62 HG LEU 62 -0.038 7.975 -6.829 465 HD11 LEU 62 1HD1 LEU 62 2.708 7.315 -6.076 466 HD12 LEU 62 2HD1 LEU 62 1.505 6.878 -4.863 467 HD13 LEU 62 3HD1 LEU 62 1.616 8.543 -5.435 468 HD21 LEU 62 1HD2 LEU 62 2.421 6.869 -8.062 469 HD22 LEU 62 2HD2 LEU 62 1.370 8.178 -8.602 470 HD23 LEU 62 3HD2 LEU 62 0.882 6.500 -8.839 471 H ILE 63 H ILE 63 -2.852 6.239 -7.489 472 HA ILE 63 HA ILE 63 -3.069 8.965 -7.704 473 HB ILE 63 HB ILE 63 -5.296 6.955 -8.058 474 HG12 ILE 63 1HG1 ILE 63 -3.374 8.133 -10.078 475 HG13 ILE 63 2HG1 ILE 63 -3.262 6.510 -9.407 476 HG21 ILE 63 1HG2 ILE 63 -6.511 8.557 -9.230 477 HG22 ILE 63 2HG2 ILE 63 -5.877 9.453 -7.851 478 HG23 ILE 63 3HG2 ILE 63 -5.112 9.611 -9.432 479 HD11 ILE 63 1HD1 ILE 63 -5.146 5.779 -10.548 480 HD12 ILE 63 2HD1 ILE 63 -5.723 7.420 -10.840 481 HD13 ILE 63 3HD1 ILE 63 -4.320 6.809 -11.716 482 H GLY 64 H GLY 64 -4.827 6.822 -5.499 483 HA2 GLY 64 1HA GLY 64 -6.333 9.019 -4.363 484 HA3 GLY 64 2HA GLY 64 -6.379 7.341 -3.844 485 H HIS 65 H HIS 65 -3.590 7.004 -3.417 486 HA HIS 65 HA HIS 65 -3.296 7.633 -0.776 487 HB2 HIS 65 1HB HIS 65 -1.684 6.154 -1.478 488 HB3 HIS 65 2HB HIS 65 -1.364 7.041 -2.965 489 HD1 HIS 65 1HD HIS 65 -0.027 6.442 0.350 490 HD2 HIS 65 2HD HIS 65 0.215 9.479 -2.475 491 HE1 HIS 65 1HE HIS 65 1.976 7.813 1.006 492 H HIS 66 H HIS 66 -2.506 9.642 -3.554 493 HA HIS 66 HA HIS 66 -0.971 11.628 -2.561 494 HB2 HIS 66 1HB HIS 66 -3.292 11.684 -4.451 495 HB3 HIS 66 2HB HIS 66 -2.543 13.202 -3.965 496 HD1 HIS 66 1HD HIS 66 -1.489 9.876 -5.479 497 HD2 HIS 66 2HD HIS 66 -0.409 13.887 -5.484 498 HE1 HIS 66 1HE HIS 66 0.371 10.069 -7.160 499 H ARG 67 H ARG 67 -4.247 10.926 -1.651 500 HA ARG 67 HA ARG 67 -5.029 13.342 -0.515 501 HB2 ARG 67 1HB ARG 67 -6.585 12.030 0.837 502 HB3 ARG 67 2HB ARG 67 -6.547 11.441 -0.819 503 HG2 ARG 67 1HG ARG 67 -4.914 9.685 -0.018 504 HG3 ARG 67 2HG ARG 67 -5.328 10.189 1.622 505 HD2 ARG 67 1HD ARG 67 -6.646 8.251 0.901 506 HD3 ARG 67 2HD ARG 67 -7.663 9.655 1.219 507 HE ARG 67 HE ARG 67 -6.975 9.566 -1.515 508 HH11 ARG 67 2HH1 ARG 67 -8.971 7.958 0.841 509 HH12 ARG 67 1HH1 ARG 67 -10.156 7.450 -0.317 510 HH21 ARG 67 2HH2 ARG 67 -8.527 8.903 -3.050 511 HH22 ARG 67 1HH2 ARG 67 -9.902 7.988 -2.530 512 H VAL 68 H VAL 68 -3.269 10.631 0.960 513 HA VAL 68 HA VAL 68 -3.079 11.390 3.559 514 HB VAL 68 HB VAL 68 -0.839 10.351 3.638 515 HG11 VAL 68 1HG1 VAL 68 -2.205 8.481 1.850 516 HG12 VAL 68 2HG1 VAL 68 -1.755 8.307 3.547 517 HG13 VAL 68 3HG1 VAL 68 -3.238 9.156 3.109 518 HG21 VAL 68 1HG2 VAL 68 -0.557 9.329 1.045 519 HG22 VAL 68 2HG2 VAL 68 -0.851 11.057 0.851 520 HG23 VAL 68 3HG2 VAL 68 0.485 10.498 1.857 521 H HIS 69 H HIS 69 -1.522 12.898 0.824 522 HA HIS 69 HA HIS 69 0.118 14.601 2.520 523 HB2 HIS 69 1HB HIS 69 -0.185 14.425 -0.482 524 HB3 HIS 69 2HB HIS 69 0.885 15.561 0.332 525 HD1 HIS 69 1HD HIS 69 2.764 14.341 1.913 526 HD2 HIS 69 2HD HIS 69 0.968 12.037 -1.041 527 HE1 HIS 69 1HE HIS 69 4.285 12.365 1.583 528 H THR 70 H THR 70 -2.412 15.043 0.049 529 HA THR 70 HA THR 70 -2.934 17.717 1.153 530 HB THR 70 HB THR 70 -3.792 16.538 -1.497 531 HG1 THR 70 1HG THR 70 -1.852 18.537 -0.876 532 HG21 THR 70 1HG2 THR 70 -4.071 19.239 -1.713 533 HG22 THR 70 2HG2 THR 70 -4.564 18.970 -0.041 534 HG23 THR 70 3HG2 THR 70 -5.386 18.123 -1.350 535 H GLY 71 H GLY 71 -4.385 17.533 2.767 536 HA2 GLY 71 1HA GLY 71 -6.891 17.548 2.936 537 HA3 GLY 71 2HA GLY 71 -6.817 15.943 2.226 538 H SER 72 H SER 72 -4.871 14.682 3.573 539 HA SER 72 HA SER 72 -6.079 14.343 6.181 540 HB2 SER 72 1HB SER 72 -5.474 12.376 4.814 541 HB3 SER 72 2HB SER 72 -3.778 12.851 4.895 542 HG SER 72 HG SER 72 -5.361 12.351 7.191 543 H GLY 73 H GLY 73 -4.706 14.113 8.131 544 HA2 GLY 73 1HA GLY 73 -3.485 16.341 8.973 545 HA3 GLY 73 2HA GLY 73 -2.956 14.756 9.520 546 HA PRO 74 HA PRO 74 0.006 16.759 6.197 547 HB2 PRO 74 1HB PRO 74 0.728 19.220 7.088 548 HB3 PRO 74 2HB PRO 74 -0.611 18.959 5.964 549 HG2 PRO 74 1HG PRO 74 -0.681 19.390 8.926 550 HG3 PRO 74 2HG PRO 74 -1.726 20.080 7.670 551 HD2 PRO 74 1HD PRO 74 -2.486 17.986 9.210 552 HD3 PRO 74 2HD PRO 74 -3.023 18.180 7.529 553 H SER 75 H SER 75 1.787 15.636 6.671 554 HA SER 75 HA SER 75 2.948 15.801 9.344 555 HB2 SER 75 1HB SER 75 3.212 13.896 7.047 556 HB3 SER 75 2HB SER 75 4.490 13.968 8.261 557 HG SER 75 HG SER 75 1.833 13.777 9.120 558 H SER 76 H SER 76 3.233 18.139 7.909 559 HA SER 76 HA SER 76 5.638 18.321 6.441 560 HB2 SER 76 1HB SER 76 4.064 20.418 7.949 561 HB3 SER 76 2HB SER 76 5.442 20.783 6.912 562 HG SER 76 HG SER 76 3.177 20.840 6.007 563 H GLY 77 H GLY 77 4.905 19.215 9.817 564 HA2 GLY 77 1HA GLY 77 6.301 18.874 11.670 565 HA3 GLY 77 2HA GLY 77 7.616 18.470 10.577 Start of MODEL 8 1 H1 GLY 1 H GLY 1 11.849 26.883 -29.062 2 HA2 GLY 1 1HA GLY 1 8.974 27.008 -28.984 3 HA3 GLY 1 2HA GLY 1 9.597 25.378 -28.777 4 H SER 2 H SER 2 8.148 26.322 -26.759 5 HA SER 2 HA SER 2 10.121 26.585 -24.637 6 HB2 SER 2 1HB SER 2 7.839 28.551 -24.949 7 HB3 SER 2 2HB SER 2 8.940 28.469 -23.574 8 HG SER 2 HG SER 2 10.567 28.660 -25.491 9 H SER 3 H SER 3 8.973 26.494 -22.439 10 HA SER 3 HA SER 3 6.384 25.336 -22.282 11 HB2 SER 3 1HB SER 3 7.924 23.463 -23.225 12 HB3 SER 3 2HB SER 3 8.555 23.377 -21.580 13 HG SER 3 HG SER 3 5.786 23.365 -21.904 14 H GLY 4 H GLY 4 5.626 25.282 -20.194 15 HA2 GLY 4 1HA GLY 4 7.523 26.251 -18.149 16 HA3 GLY 4 2HA GLY 4 5.809 26.640 -18.178 17 H SER 5 H SER 5 6.360 25.847 -15.851 18 HA SER 5 HA SER 5 5.418 23.083 -15.705 19 HB2 SER 5 1HB SER 5 7.057 22.646 -13.833 20 HB3 SER 5 2HB SER 5 7.782 22.787 -15.434 21 HG SER 5 HG SER 5 8.114 25.078 -14.820 22 H SER 6 H SER 6 4.254 22.587 -13.828 23 HA SER 6 HA SER 6 3.889 24.623 -11.796 24 HB2 SER 6 1HB SER 6 2.270 24.965 -13.860 25 HB3 SER 6 2HB SER 6 1.369 23.661 -13.089 26 HG SER 6 HG SER 6 1.317 24.940 -11.186 27 H GLY 7 H GLY 7 2.750 23.859 -9.934 28 HA2 GLY 7 1HA GLY 7 2.312 20.944 -9.871 29 HA3 GLY 7 2HA GLY 7 3.323 21.712 -8.656 30 H ARG 8 H ARG 8 1.906 20.917 -7.031 31 HA ARG 8 HA ARG 8 -0.660 22.359 -6.888 32 HB2 ARG 8 1HB ARG 8 0.105 19.692 -5.689 33 HB3 ARG 8 2HB ARG 8 -1.412 20.526 -5.377 34 HG2 ARG 8 1HG ARG 8 -1.959 20.390 -7.768 35 HG3 ARG 8 2HG ARG 8 -0.457 19.505 -8.044 36 HD2 ARG 8 1HD ARG 8 -1.201 17.641 -6.841 37 HD3 ARG 8 2HD ARG 8 -2.486 18.554 -6.051 38 HE ARG 8 HE ARG 8 -3.838 18.058 -7.815 39 HH11 ARG 8 2HH1 ARG 8 -0.525 17.714 -8.829 40 HH12 ARG 8 1HH1 ARG 8 -0.932 17.099 -10.397 41 HH21 ARG 8 2HH2 ARG 8 -4.387 17.249 -9.876 42 HH22 ARG 8 1HH2 ARG 8 -3.129 16.836 -10.992 43 H SER 9 H SER 9 -0.695 23.932 -5.438 44 HA SER 9 HA SER 9 1.372 24.267 -3.502 45 HB2 SER 9 1HB SER 9 -1.105 25.757 -4.259 46 HB3 SER 9 2HB SER 9 -0.353 26.112 -2.703 47 HG SER 9 HG SER 9 1.511 26.705 -3.752 48 H GLU 10 H GLU 10 1.509 23.161 -1.674 49 HA GLU 10 HA GLU 10 -0.933 22.128 -0.430 50 HB2 GLU 10 1HB GLU 10 1.969 21.478 0.119 51 HB3 GLU 10 2HB GLU 10 0.591 20.715 0.901 52 HG2 GLU 10 1HG GLU 10 1.381 20.544 -1.993 53 HG3 GLU 10 2HG GLU 10 1.380 19.251 -0.795 54 H TRP 11 H TRP 11 -1.632 22.754 1.543 55 HA TRP 11 HA TRP 11 0.012 24.711 3.007 56 HB2 TRP 11 1HB TRP 11 -2.964 24.869 3.152 57 HB3 TRP 11 2HB TRP 11 -1.763 26.149 3.304 58 HD1 TRP 11 HD TRP 11 -1.166 27.505 1.157 59 HE1 TRP 11 1HE TRP 11 -2.021 27.478 -1.271 60 HE3 TRP 11 3HE TRP 11 -3.873 23.170 1.297 61 HZ2 TRP 11 2HZ TRP 11 -3.631 25.837 -2.909 62 HZ3 TRP 11 3HZ TRP 11 -5.041 22.442 -0.743 63 HH2 TRP 11 HH TRP 11 -4.921 23.750 -2.801 64 H GLN 12 H GLN 12 -2.565 22.292 3.225 65 HA GLN 12 HA GLN 12 -3.144 22.092 5.825 66 HB2 GLN 12 1HB GLN 12 -3.428 19.713 5.574 67 HB3 GLN 12 2HB GLN 12 -3.886 20.497 4.068 68 HG2 GLN 12 1HG GLN 12 -1.096 19.524 4.350 69 HG3 GLN 12 2HG GLN 12 -2.379 18.338 4.114 70 HE21 GLN 12 1HE2 GLN 12 -1.026 21.312 2.774 71 HE22 GLN 12 2HE2 GLN 12 -1.422 20.963 1.129 72 H GLN 13 H GLN 13 -2.261 21.361 7.728 73 HA GLN 13 HA GLN 13 0.583 21.535 7.957 74 HB2 GLN 13 1HB GLN 13 -1.649 20.983 9.890 75 HB3 GLN 13 2HB GLN 13 0.030 20.811 10.382 76 HG2 GLN 13 1HG GLN 13 0.326 23.202 9.509 77 HG3 GLN 13 2HG GLN 13 -1.435 23.281 9.544 78 HE21 GLN 13 1HE2 GLN 13 0.168 24.950 11.066 79 HE22 GLN 13 2HE2 GLN 13 -0.052 24.572 12.737 80 H ARG 14 H ARG 14 1.188 19.785 6.534 81 HA ARG 14 HA ARG 14 0.492 17.117 6.837 82 HB2 ARG 14 1HB ARG 14 2.857 18.545 5.717 83 HB3 ARG 14 2HB ARG 14 2.986 16.810 5.970 84 HG2 ARG 14 1HG ARG 14 0.780 16.666 4.658 85 HG3 ARG 14 2HG ARG 14 1.153 18.313 4.146 86 HD2 ARG 14 1HD ARG 14 3.238 16.192 3.907 87 HD3 ARG 14 2HD ARG 14 1.937 16.263 2.719 88 HE ARG 14 HE ARG 14 2.873 18.813 2.818 89 HH11 ARG 14 2HH1 ARG 14 4.340 15.702 2.279 90 HH12 ARG 14 1HH1 ARG 14 5.587 16.323 1.250 91 HH21 ARG 14 2HH2 ARG 14 4.511 19.643 1.464 92 HH22 ARG 14 1HH2 ARG 14 5.684 18.565 0.787 93 H GLU 15 H GLU 15 0.501 16.086 8.737 94 HA GLU 15 HA GLU 15 2.065 16.610 10.952 95 HB2 GLU 15 1HB GLU 15 1.454 14.386 11.752 96 HB3 GLU 15 2HB GLU 15 0.073 15.180 11.007 97 HG2 GLU 15 1HG GLU 15 0.601 13.896 8.912 98 HG3 GLU 15 2HG GLU 15 1.765 12.977 9.865 99 H ARG 16 H ARG 16 4.011 15.903 11.732 100 HA ARG 16 HA ARG 16 5.587 14.039 10.131 101 HB2 ARG 16 1HB ARG 16 6.352 16.893 10.711 102 HB3 ARG 16 2HB ARG 16 7.562 15.662 10.374 103 HG2 ARG 16 1HG ARG 16 5.295 16.035 8.476 104 HG3 ARG 16 2HG ARG 16 6.641 17.176 8.464 105 HD2 ARG 16 1HD ARG 16 8.123 15.059 8.374 106 HD3 ARG 16 2HD ARG 16 6.644 14.241 7.870 107 HE ARG 16 HE ARG 16 6.815 15.260 5.826 108 HH11 ARG 16 2HH1 ARG 16 8.938 16.848 8.082 109 HH12 ARG 16 1HH1 ARG 16 9.708 17.821 6.873 110 HH21 ARG 16 2HH2 ARG 16 7.822 16.535 4.225 111 HH22 ARG 16 1HH2 ARG 16 9.072 17.643 4.679 112 H ARG 17 H ARG 17 7.099 12.893 11.291 113 HA ARG 17 HA ARG 17 7.125 13.393 14.196 114 HB2 ARG 17 1HB ARG 17 6.909 10.895 12.595 115 HB3 ARG 17 2HB ARG 17 7.835 10.818 14.088 116 HG2 ARG 17 1HG ARG 17 5.678 10.181 14.699 117 HG3 ARG 17 2HG ARG 17 5.798 11.867 15.206 118 HD2 ARG 17 1HD ARG 17 4.387 12.608 13.545 119 HD3 ARG 17 2HD ARG 17 4.742 11.240 12.490 120 HE ARG 17 HE ARG 17 3.006 10.114 13.450 121 HH11 ARG 17 2HH1 ARG 17 3.949 12.721 15.556 122 HH12 ARG 17 1HH1 ARG 17 2.638 12.476 16.662 123 HH21 ARG 17 2HH2 ARG 17 1.275 9.782 14.899 124 HH22 ARG 17 1HH2 ARG 17 1.118 10.803 16.287 125 H ARG 18 H ARG 18 9.132 11.917 15.085 126 HA ARG 18 HA ARG 18 11.431 13.385 14.420 127 HB2 ARG 18 1HB ARG 18 11.026 10.821 15.951 128 HB3 ARG 18 2HB ARG 18 12.618 11.537 15.735 129 HG2 ARG 18 1HG ARG 18 10.305 13.023 16.948 130 HG3 ARG 18 2HG ARG 18 11.454 12.074 17.894 131 HD2 ARG 18 1HD ARG 18 12.355 14.223 16.001 132 HD3 ARG 18 2HD ARG 18 11.881 14.589 17.659 133 HE ARG 18 HE ARG 18 13.714 12.554 17.857 134 HH11 ARG 18 2HH1 ARG 18 13.671 15.771 16.528 135 HH12 ARG 18 1HH1 ARG 18 15.359 16.048 16.803 136 HH21 ARG 18 2HH2 ARG 18 15.937 12.907 18.225 137 HH22 ARG 18 1HH2 ARG 18 16.647 14.418 17.768 138 H TYR 19 H TYR 19 10.552 10.020 13.656 139 HA TYR 19 HA TYR 19 12.799 9.838 11.807 140 HB2 TYR 19 1HB TYR 19 10.797 7.815 12.811 141 HB3 TYR 19 2HB TYR 19 11.971 7.451 11.551 142 HD1 TYR 19 2HD TYR 19 12.170 9.258 14.822 143 HD2 TYR 19 1HD TYR 19 13.661 6.117 12.370 144 HE1 TYR 19 2HE TYR 19 13.840 8.714 16.544 145 HE2 TYR 19 1HE TYR 19 15.334 5.564 14.085 146 HH TYR 19 HH TYR 19 16.501 6.835 15.996 147 H LYS 20 H LYS 20 12.460 8.995 9.624 148 HA LYS 20 HA LYS 20 9.884 9.067 8.411 149 HB2 LYS 20 1HB LYS 20 10.208 11.479 8.669 150 HB3 LYS 20 2HB LYS 20 11.756 11.373 7.840 151 HG2 LYS 20 1HG LYS 20 10.622 10.663 5.800 152 HG3 LYS 20 2HG LYS 20 9.067 10.757 6.630 153 HD2 LYS 20 1HD LYS 20 9.127 13.075 6.747 154 HD3 LYS 20 2HD LYS 20 10.879 13.138 6.541 155 HE2 LYS 20 1HE LYS 20 10.742 12.755 4.246 156 HE3 LYS 20 2HE LYS 20 9.110 12.099 4.357 157 HZ1 LYS 20 1HZ LYS 20 9.212 14.357 3.398 158 HZ2 LYS 20 2HZ LYS 20 9.805 14.939 4.872 159 HZ3 LYS 20 3HZ LYS 20 8.252 14.273 4.789 160 H CYS 21 H CYS 21 9.909 7.896 6.582 161 HA CYS 21 HA CYS 21 12.473 6.878 5.662 162 HB2 CYS 21 1HB CYS 21 10.295 5.507 6.101 163 HB3 CYS 21 2HB CYS 21 9.823 6.077 4.503 164 H ASP 22 H ASP 22 13.089 8.990 4.760 165 HA ASP 22 HA ASP 22 11.923 10.492 2.858 166 HB2 ASP 22 1HB ASP 22 14.767 9.582 3.139 167 HB3 ASP 22 2HB ASP 22 14.300 10.599 1.779 168 H GLU 23 H GLU 23 13.024 7.218 2.459 169 HA GLU 23 HA GLU 23 13.253 6.975 -0.274 170 HB2 GLU 23 1HB GLU 23 12.261 5.085 1.838 171 HB3 GLU 23 2HB GLU 23 12.271 4.608 0.146 172 HG2 GLU 23 1HG GLU 23 14.265 3.792 1.127 173 HG3 GLU 23 2HG GLU 23 14.706 5.145 0.087 174 H CYS 24 H CYS 24 10.290 6.725 1.674 175 HA CYS 24 HA CYS 24 8.731 7.018 -0.810 176 HB2 CYS 24 1HB CYS 24 6.854 6.111 0.810 177 HB3 CYS 24 2HB CYS 24 7.974 5.006 0.019 178 H GLY 25 H GLY 25 8.723 7.869 2.651 179 HA2 GLY 25 1HA GLY 25 8.538 10.380 2.967 180 HA3 GLY 25 2HA GLY 25 7.104 10.240 1.961 181 H LYS 26 H LYS 26 7.638 7.601 4.049 182 HA LYS 26 HA LYS 26 5.302 8.322 5.603 183 HB2 LYS 26 1HB LYS 26 6.892 5.859 5.140 184 HB3 LYS 26 2HB LYS 26 6.063 5.984 6.686 185 HG2 LYS 26 1HG LYS 26 4.430 4.972 5.488 186 HG3 LYS 26 2HG LYS 26 4.032 6.651 5.120 187 HD2 LYS 26 1HD LYS 26 5.982 5.259 3.359 188 HD3 LYS 26 2HD LYS 26 4.278 4.818 3.219 189 HE2 LYS 26 1HE LYS 26 5.156 7.686 3.182 190 HE3 LYS 26 2HE LYS 26 5.186 6.702 1.719 191 HZ1 LYS 26 1HZ LYS 26 3.112 8.058 2.144 192 HZ2 LYS 26 2HZ LYS 26 2.753 6.963 3.382 193 HZ3 LYS 26 3HZ LYS 26 2.877 6.421 1.785 194 H SER 27 H SER 27 5.407 7.752 8.025 195 HA SER 27 HA SER 27 7.957 8.431 9.261 196 HB2 SER 27 1HB SER 27 6.890 10.214 10.649 197 HB3 SER 27 2HB SER 27 6.976 10.622 8.936 198 HG SER 27 HG SER 27 4.863 10.749 10.355 199 H PHE 28 H PHE 28 8.148 7.757 11.394 200 HA PHE 28 HA PHE 28 5.845 6.526 12.687 201 HB2 PHE 28 1HB PHE 28 8.385 4.934 12.382 202 HB3 PHE 28 2HB PHE 28 6.809 4.378 12.935 203 HD1 PHE 28 1HD PHE 28 8.282 6.018 9.921 204 HD2 PHE 28 2HD PHE 28 5.614 3.087 11.473 205 HE1 PHE 28 1HE PHE 28 7.737 5.305 7.630 206 HE2 PHE 28 2HE PHE 28 5.066 2.369 9.185 207 HZ PHE 28 HZ PHE 28 6.128 3.477 7.259 208 H SER 29 H SER 29 5.836 7.010 14.779 209 HA SER 29 HA SER 29 7.787 8.586 15.998 210 HB2 SER 29 1HB SER 29 5.712 6.822 17.322 211 HB3 SER 29 2HB SER 29 6.591 8.135 18.106 212 HG SER 29 HG SER 29 4.464 8.225 16.350 213 H HIS 30 H HIS 30 7.388 5.107 15.894 214 HA HIS 30 HA HIS 30 9.656 4.737 17.707 215 HB2 HIS 30 1HB HIS 30 7.353 3.394 17.664 216 HB3 HIS 30 2HB HIS 30 8.235 2.417 16.494 217 HD1 HIS 30 1HD HIS 30 9.028 0.400 17.675 218 HD2 HIS 30 2HD HIS 30 9.443 3.814 20.007 219 HE1 HIS 30 1HE HIS 30 10.162 -0.362 19.786 220 H SER 31 H SER 31 11.630 4.234 17.004 221 HA SER 31 HA SER 31 12.276 4.289 14.260 222 HB2 SER 31 1HB SER 31 14.550 3.737 14.969 223 HB3 SER 31 2HB SER 31 13.854 4.946 16.048 224 HG SER 31 HG SER 31 13.427 3.279 17.535 225 H SER 32 H SER 32 12.300 1.598 16.593 226 HA SER 32 HA SER 32 13.116 -0.462 15.002 227 HB2 SER 32 1HB SER 32 11.000 -0.436 17.157 228 HB3 SER 32 2HB SER 32 11.578 -1.923 16.405 229 HG SER 32 HG SER 32 12.669 -0.607 18.406 230 H ASP 33 H ASP 33 9.770 0.702 15.336 231 HA ASP 33 HA ASP 33 8.518 -1.066 13.617 232 HB2 ASP 33 1HB ASP 33 7.954 1.768 14.411 233 HB3 ASP 33 2HB ASP 33 6.968 0.999 13.171 234 H LEU 34 H LEU 34 9.778 2.168 12.792 235 HA LEU 34 HA LEU 34 9.278 2.109 10.071 236 HB2 LEU 34 1HB LEU 34 9.957 4.157 10.936 237 HB3 LEU 34 2HB LEU 34 11.364 3.460 11.737 238 HG LEU 34 HG LEU 34 12.196 3.046 9.297 239 HD11 LEU 34 1HD1 LEU 34 11.054 5.484 8.370 240 HD12 LEU 34 2HD1 LEU 34 9.753 4.377 8.806 241 HD13 LEU 34 3HD1 LEU 34 10.981 3.879 7.643 242 HD21 LEU 34 1HD2 LEU 34 12.844 5.640 9.346 243 HD22 LEU 34 2HD2 LEU 34 13.578 4.446 10.417 244 HD23 LEU 34 3HD2 LEU 34 12.259 5.462 11.000 245 H SER 35 H SER 35 12.107 0.911 11.836 246 HA SER 35 HA SER 35 13.749 0.232 9.723 247 HB2 SER 35 1HB SER 35 14.461 0.069 12.061 248 HB3 SER 35 2HB SER 35 13.357 -1.282 12.317 249 HG SER 35 HG SER 35 15.379 -1.350 10.344 250 H LYS 36 H LYS 36 11.109 -1.648 11.153 251 HA LYS 36 HA LYS 36 11.475 -3.912 9.462 252 HB2 LYS 36 1HB LYS 36 9.019 -3.069 11.011 253 HB3 LYS 36 2HB LYS 36 9.321 -4.666 10.341 254 HG2 LYS 36 1HG LYS 36 10.840 -5.213 11.957 255 HG3 LYS 36 2HG LYS 36 11.304 -3.534 12.244 256 HD2 LYS 36 1HD LYS 36 9.052 -3.171 13.269 257 HD3 LYS 36 2HD LYS 36 8.768 -4.908 13.127 258 HE2 LYS 36 1HE LYS 36 11.058 -5.068 14.394 259 HE3 LYS 36 2HE LYS 36 10.662 -3.425 14.894 260 HZ1 LYS 36 1HZ LYS 36 8.744 -4.147 15.985 261 HZ2 LYS 36 2HZ LYS 36 9.908 -5.304 16.394 262 HZ3 LYS 36 3HZ LYS 36 8.746 -5.654 15.216 263 H HIS 37 H HIS 37 9.827 -0.887 9.146 264 HA HIS 37 HA HIS 37 8.003 -1.644 7.102 265 HB2 HIS 37 1HB HIS 37 7.335 0.337 8.043 266 HB3 HIS 37 2HB HIS 37 8.984 0.915 8.259 267 HD1 HIS 37 1HD HIS 37 6.425 0.461 5.497 268 HD2 HIS 37 2HD HIS 37 9.807 2.707 6.380 269 HE1 HIS 37 1HE HIS 37 6.621 2.142 3.637 270 H ARG 38 H ARG 38 11.122 0.077 6.996 271 HA ARG 38 HA ARG 38 11.429 0.543 4.349 272 HB2 ARG 38 1HB ARG 38 13.326 -0.195 6.511 273 HB3 ARG 38 2HB ARG 38 13.931 -0.276 4.862 274 HG2 ARG 38 1HG ARG 38 14.476 1.870 5.347 275 HG3 ARG 38 2HG ARG 38 12.843 2.130 4.731 276 HD2 ARG 38 1HD ARG 38 12.693 3.306 6.677 277 HD3 ARG 38 2HD ARG 38 12.215 1.715 7.268 278 HE ARG 38 HE ARG 38 14.140 1.634 8.505 279 HH11 ARG 38 2HH1 ARG 38 14.409 4.169 6.134 280 HH12 ARG 38 1HH1 ARG 38 15.887 4.797 6.783 281 HH21 ARG 38 2HH2 ARG 38 16.086 2.452 9.369 282 HH22 ARG 38 1HH2 ARG 38 16.841 3.819 8.622 283 H ARG 39 H ARG 39 11.371 -2.558 5.897 284 HA ARG 39 HA ARG 39 12.652 -4.140 3.994 285 HB2 ARG 39 1HB ARG 39 10.226 -4.931 5.612 286 HB3 ARG 39 2HB ARG 39 11.436 -6.007 4.927 287 HG2 ARG 39 1HG ARG 39 12.282 -3.910 6.868 288 HG3 ARG 39 2HG ARG 39 11.497 -5.377 7.455 289 HD2 ARG 39 1HD ARG 39 13.974 -5.256 5.738 290 HD3 ARG 39 2HD ARG 39 13.931 -5.599 7.467 291 HE ARG 39 HE ARG 39 13.070 -7.719 7.010 292 HH11 ARG 39 2HH1 ARG 39 13.482 -5.847 4.103 293 HH12 ARG 39 1HH1 ARG 39 13.325 -7.211 3.047 294 HH21 ARG 39 2HH2 ARG 39 12.862 -9.523 5.629 295 HH22 ARG 39 1HH2 ARG 39 12.972 -9.301 3.916 296 H THR 40 H THR 40 9.229 -3.208 4.216 297 HA THR 40 HA THR 40 8.112 -4.602 2.169 298 HB THR 40 HB THR 40 6.839 -3.031 3.559 299 HG1 THR 40 1HG THR 40 6.472 -2.148 0.904 300 HG21 THR 40 1HG2 THR 40 8.776 -1.177 2.710 301 HG22 THR 40 2HG2 THR 40 7.391 -0.881 3.762 302 HG23 THR 40 3HG2 THR 40 7.245 -0.638 2.022 303 H HIS 41 H HIS 41 10.462 -2.070 1.912 304 HA HIS 41 HA HIS 41 10.025 -1.412 -0.818 305 HB2 HIS 41 1HB HIS 41 12.496 -1.094 0.898 306 HB3 HIS 41 2HB HIS 41 12.267 -0.364 -0.689 307 HD1 HIS 41 1HD HIS 41 9.298 0.564 -0.221 308 HD2 HIS 41 2HD HIS 41 12.478 1.227 2.369 309 HE1 HIS 41 1HE HIS 41 8.643 2.570 1.148 310 H THR 42 H THR 42 9.877 -3.356 -1.960 311 HA THR 42 HA THR 42 12.470 -4.635 -2.478 312 HB THR 42 HB THR 42 11.429 -6.842 -2.607 313 HG1 THR 42 1HG THR 42 9.294 -6.231 -3.102 314 HG21 THR 42 1HG2 THR 42 10.567 -6.788 -0.053 315 HG22 THR 42 2HG2 THR 42 11.436 -5.254 -0.116 316 HG23 THR 42 3HG2 THR 42 12.271 -6.758 -0.505 317 H GLY 43 H GLY 43 12.904 -4.118 -4.527 318 HA2 GLY 43 1HA GLY 43 12.419 -4.819 -6.834 319 HA3 GLY 43 2HA GLY 43 10.735 -4.438 -6.508 320 H GLU 44 H GLU 44 10.372 -2.876 -7.999 321 HA GLU 44 HA GLU 44 12.149 -0.530 -7.955 322 HB2 GLU 44 1HB GLU 44 11.710 -1.904 -10.123 323 HB3 GLU 44 2HB GLU 44 10.160 -1.075 -10.134 324 HG2 GLU 44 1HG GLU 44 11.626 0.148 -11.531 325 HG3 GLU 44 2HG GLU 44 11.407 1.087 -10.056 326 H LYS 45 H LYS 45 9.670 -1.351 -6.305 327 HA LYS 45 HA LYS 45 8.147 1.134 -6.747 328 HB2 LYS 45 1HB LYS 45 7.291 -1.611 -5.917 329 HB3 LYS 45 2HB LYS 45 6.374 -0.220 -5.353 330 HG2 LYS 45 1HG LYS 45 5.245 -0.829 -7.269 331 HG3 LYS 45 2HG LYS 45 6.312 0.453 -7.847 332 HD2 LYS 45 1HD LYS 45 6.236 -1.545 -9.332 333 HD3 LYS 45 2HD LYS 45 7.854 -1.152 -8.745 334 HE2 LYS 45 1HE LYS 45 7.917 -2.970 -7.316 335 HE3 LYS 45 2HE LYS 45 6.161 -3.105 -7.245 336 HZ1 LYS 45 1HZ LYS 45 6.548 -4.805 -8.647 337 HZ2 LYS 45 2HZ LYS 45 8.027 -4.190 -9.190 338 HZ3 LYS 45 3HZ LYS 45 6.578 -3.588 -9.821 339 HA PRO 46 HA PRO 46 10.298 1.459 -2.641 340 HB2 PRO 46 1HB PRO 46 11.119 4.020 -3.008 341 HB3 PRO 46 2HB PRO 46 12.051 2.624 -3.562 342 HG2 PRO 46 1HG PRO 46 10.218 4.413 -5.112 343 HG3 PRO 46 2HG PRO 46 11.806 3.770 -5.570 344 HD2 PRO 46 1HD PRO 46 9.486 2.696 -6.462 345 HD3 PRO 46 2HD PRO 46 10.941 1.720 -6.174 346 H TYR 47 H TYR 47 7.572 2.586 -4.096 347 HA TYR 47 HA TYR 47 6.842 4.242 -1.768 348 HB2 TYR 47 1HB TYR 47 5.678 4.415 -4.553 349 HB3 TYR 47 2HB TYR 47 5.306 5.468 -3.192 350 HD1 TYR 47 2HD TYR 47 6.985 7.096 -2.392 351 HD2 TYR 47 1HD TYR 47 7.652 4.737 -5.870 352 HE1 TYR 47 2HE TYR 47 8.792 8.619 -3.072 353 HE2 TYR 47 1HE TYR 47 9.462 6.254 -6.559 354 HH TYR 47 HH TYR 47 9.871 9.185 -5.597 355 H LYS 48 H LYS 48 5.043 3.723 -0.647 356 HA LYS 48 HA LYS 48 3.021 1.979 -1.730 357 HB2 LYS 48 1HB LYS 48 4.463 0.223 -1.108 358 HB3 LYS 48 2HB LYS 48 4.951 1.034 0.375 359 HG2 LYS 48 1HG LYS 48 3.034 0.433 1.497 360 HG3 LYS 48 2HG LYS 48 2.104 0.221 0.012 361 HD2 LYS 48 1HD LYS 48 4.439 -1.563 0.460 362 HD3 LYS 48 2HD LYS 48 2.987 -1.844 1.423 363 HE2 LYS 48 1HE LYS 48 2.672 -1.456 -1.507 364 HE3 LYS 48 2HE LYS 48 3.349 -2.983 -0.943 365 HZ1 LYS 48 1HZ LYS 48 0.668 -2.204 -1.002 366 HZ2 LYS 48 2HZ LYS 48 1.108 -2.363 0.623 367 HZ3 LYS 48 3HZ LYS 48 1.319 -3.662 -0.440 368 H CYS 49 H CYS 49 1.098 2.083 -0.608 369 HA CYS 49 HA CYS 49 0.949 4.200 1.391 370 HB2 CYS 49 1HB CYS 49 -0.601 4.221 -0.543 371 HB3 CYS 49 2HB CYS 49 -1.276 2.690 0.005 372 H ASP 50 H ASP 50 -0.371 3.922 3.320 373 HA ASP 50 HA ASP 50 -0.112 1.197 4.401 374 HB2 ASP 50 1HB ASP 50 -0.350 3.783 5.950 375 HB3 ASP 50 2HB ASP 50 0.032 2.191 6.598 376 H GLU 51 H GLU 51 -2.323 3.791 3.756 377 HA GLU 51 HA GLU 51 -4.448 2.864 5.414 378 HB2 GLU 51 1HB GLU 51 -4.485 4.684 3.000 379 HB3 GLU 51 2HB GLU 51 -5.850 4.417 4.075 380 HG2 GLU 51 1HG GLU 51 -3.217 5.450 5.070 381 HG3 GLU 51 2HG GLU 51 -4.471 6.515 4.438 382 H CYS 52 H CYS 52 -3.574 2.405 2.024 383 HA CYS 52 HA CYS 52 -5.754 0.439 1.782 384 HB2 CYS 52 1HB CYS 52 -5.799 0.842 -0.564 385 HB3 CYS 52 2HB CYS 52 -5.751 2.423 0.208 386 H GLY 53 H GLY 53 -2.365 1.055 0.907 387 HA2 GLY 53 1HA GLY 53 -0.634 -0.539 1.150 388 HA3 GLY 53 2HA GLY 53 -1.844 -1.813 1.173 389 H LYS 54 H LYS 54 -0.925 0.786 -1.092 390 HA LYS 54 HA LYS 54 -0.721 -1.267 -3.195 391 HB2 LYS 54 1HB LYS 54 -2.761 -0.035 -3.577 392 HB3 LYS 54 2HB LYS 54 -1.919 1.499 -3.398 393 HG2 LYS 54 1HG LYS 54 -1.013 1.408 -5.484 394 HG3 LYS 54 2HG LYS 54 -0.981 -0.357 -5.514 395 HD2 LYS 54 1HD LYS 54 -2.671 0.087 -7.015 396 HD3 LYS 54 2HD LYS 54 -3.586 -0.108 -5.518 397 HE2 LYS 54 1HE LYS 54 -2.601 2.602 -6.285 398 HE3 LYS 54 2HE LYS 54 -4.016 1.940 -7.102 399 HZ1 LYS 54 1HZ LYS 54 -5.139 1.723 -5.024 400 HZ2 LYS 54 2HZ LYS 54 -4.543 3.303 -5.123 401 HZ3 LYS 54 3HZ LYS 54 -3.756 2.162 -4.154 402 H ALA 55 H ALA 55 1.116 -1.263 -4.336 403 HA ALA 55 HA ALA 55 3.166 0.664 -3.661 404 HB1 ALA 55 1HB ALA 55 4.482 -1.087 -4.000 405 HB2 ALA 55 2HB ALA 55 3.107 -2.029 -4.579 406 HB3 ALA 55 3HB ALA 55 4.058 -1.068 -5.712 407 H PHE 56 H PHE 56 3.967 2.246 -4.940 408 HA PHE 56 HA PHE 56 2.808 2.525 -7.634 409 HB2 PHE 56 1HB PHE 56 3.436 4.746 -5.677 410 HB3 PHE 56 2HB PHE 56 2.822 4.964 -7.313 411 HD1 PHE 56 2HD PHE 56 2.008 3.881 -3.913 412 HD2 PHE 56 1HD PHE 56 0.518 4.537 -7.846 413 HE1 PHE 56 2HE PHE 56 -0.296 3.729 -3.062 414 HE2 PHE 56 1HE PHE 56 -1.788 4.388 -7.001 415 HZ PHE 56 HZ PHE 56 -2.197 3.982 -4.607 416 H ILE 57 H ILE 57 4.378 2.128 -9.048 417 HA ILE 57 HA ILE 57 7.094 2.118 -8.631 418 HB ILE 57 HB ILE 57 5.677 2.792 -11.212 419 HG12 ILE 57 1HG1 ILE 57 6.818 0.108 -10.536 420 HG13 ILE 57 2HG1 ILE 57 5.245 0.558 -9.886 421 HG21 ILE 57 1HG2 ILE 57 8.492 2.548 -10.521 422 HG22 ILE 57 2HG2 ILE 57 8.011 1.475 -11.834 423 HG23 ILE 57 3HG2 ILE 57 7.735 3.211 -11.969 424 HD11 ILE 57 1HD1 ILE 57 6.062 0.127 -12.724 425 HD12 ILE 57 2HD1 ILE 57 4.707 -0.561 -11.828 426 HD13 ILE 57 3HD1 ILE 57 4.663 1.127 -12.335 427 H GLN 58 H GLN 58 5.166 4.786 -9.994 428 HA GLN 58 HA GLN 58 7.464 6.566 -9.806 429 HB2 GLN 58 1HB GLN 58 4.805 6.664 -11.144 430 HB3 GLN 58 2HB GLN 58 5.563 8.192 -10.714 431 HG2 GLN 58 1HG GLN 58 6.952 6.067 -12.319 432 HG3 GLN 58 2HG GLN 58 5.998 7.360 -13.043 433 HE21 GLN 58 1HE2 GLN 58 8.827 6.789 -13.331 434 HE22 GLN 58 2HE2 GLN 58 9.666 8.203 -12.803 435 H ARG 59 H ARG 59 6.801 8.903 -9.066 436 HA ARG 59 HA ARG 59 5.923 8.621 -6.316 437 HB2 ARG 59 1HB ARG 59 7.906 9.927 -6.668 438 HB3 ARG 59 2HB ARG 59 7.096 10.933 -7.861 439 HG2 ARG 59 1HG ARG 59 7.194 12.244 -5.931 440 HG3 ARG 59 2HG ARG 59 5.538 11.637 -5.979 441 HD2 ARG 59 1HD ARG 59 6.035 11.199 -3.797 442 HD3 ARG 59 2HD ARG 59 6.592 9.695 -4.528 443 HE ARG 59 HE ARG 59 8.777 10.309 -4.090 444 HH11 ARG 59 2HH1 ARG 59 6.610 12.941 -3.387 445 HH12 ARG 59 1HH1 ARG 59 7.805 13.873 -2.548 446 HH21 ARG 59 2HH2 ARG 59 10.360 11.526 -2.987 447 HH22 ARG 59 1HH2 ARG 59 9.938 13.067 -2.321 448 H SER 60 H SER 60 5.070 10.674 -9.102 449 HA SER 60 HA SER 60 2.942 12.047 -8.036 450 HB2 SER 60 1HB SER 60 3.093 10.957 -10.857 451 HB3 SER 60 2HB SER 60 2.122 12.326 -10.316 452 HG SER 60 HG SER 60 4.725 12.253 -11.036 453 H HIS 61 H HIS 61 2.861 8.867 -9.624 454 HA HIS 61 HA HIS 61 0.194 8.314 -9.635 455 HB2 HIS 61 1HB HIS 61 2.344 6.359 -8.795 456 HB3 HIS 61 2HB HIS 61 0.766 5.952 -9.461 457 HD1 HIS 61 1HD HIS 61 2.785 4.720 -11.067 458 HD2 HIS 61 2HD HIS 61 1.895 8.743 -11.604 459 HE1 HIS 61 1HE HIS 61 3.604 5.288 -13.376 460 H LEU 62 H LEU 62 2.290 8.517 -6.864 461 HA LEU 62 HA LEU 62 0.319 7.364 -5.073 462 HB2 LEU 62 1HB LEU 62 2.621 6.876 -4.621 463 HB3 LEU 62 2HB LEU 62 3.030 8.590 -4.608 464 HG LEU 62 HG LEU 62 1.535 8.793 -2.572 465 HD11 LEU 62 1HD1 LEU 62 0.268 6.758 -2.801 466 HD12 LEU 62 2HD1 LEU 62 1.193 6.702 -1.300 467 HD13 LEU 62 3HD1 LEU 62 1.739 5.789 -2.706 468 HD21 LEU 62 1HD2 LEU 62 4.059 8.666 -2.598 469 HD22 LEU 62 2HD2 LEU 62 3.889 6.957 -2.194 470 HD23 LEU 62 3HD2 LEU 62 3.276 8.190 -1.091 471 H ILE 63 H ILE 63 1.784 10.529 -5.706 472 HA ILE 63 HA ILE 63 0.701 12.066 -3.728 473 HB ILE 63 HB ILE 63 0.953 12.823 -6.641 474 HG12 ILE 63 1HG1 ILE 63 2.830 13.129 -4.288 475 HG13 ILE 63 2HG1 ILE 63 3.073 12.111 -5.703 476 HG21 ILE 63 1HG2 ILE 63 -0.553 14.273 -5.213 477 HG22 ILE 63 2HG2 ILE 63 0.889 14.696 -4.292 478 HG23 ILE 63 3HG2 ILE 63 0.792 15.090 -6.008 479 HD11 ILE 63 1HD1 ILE 63 2.759 14.526 -6.869 480 HD12 ILE 63 2HD1 ILE 63 3.517 14.983 -5.343 481 HD13 ILE 63 3HD1 ILE 63 4.314 13.830 -6.413 482 H GLY 64 H GLY 64 -0.856 11.443 -6.882 483 HA2 GLY 64 1HA GLY 64 -3.301 12.691 -6.192 484 HA3 GLY 64 2HA GLY 64 -3.056 11.576 -7.528 485 H HIS 65 H HIS 65 -2.240 9.317 -6.060 486 HA HIS 65 HA HIS 65 -4.606 8.033 -5.540 487 HB2 HIS 65 1HB HIS 65 -2.774 6.615 -5.738 488 HB3 HIS 65 2HB HIS 65 -1.797 7.553 -4.613 489 HD1 HIS 65 1HD HIS 65 -4.798 5.229 -4.565 490 HD2 HIS 65 2HD HIS 65 -1.740 6.555 -2.085 491 HE1 HIS 65 1HE HIS 65 -4.993 3.858 -2.465 492 H HIS 66 H HIS 66 -2.577 9.824 -3.266 493 HA HIS 66 HA HIS 66 -3.681 9.221 -0.855 494 HB2 HIS 66 1HB HIS 66 -2.602 11.768 -1.990 495 HB3 HIS 66 2HB HIS 66 -3.355 11.799 -0.399 496 HD1 HIS 66 1HD HIS 66 -0.399 10.380 -2.230 497 HD2 HIS 66 2HD HIS 66 -1.857 10.677 1.649 498 HE1 HIS 66 1HE HIS 66 1.490 9.640 -0.744 499 H ARG 67 H ARG 67 -5.175 10.954 -3.461 500 HA ARG 67 HA ARG 67 -7.174 12.370 -2.196 501 HB2 ARG 67 1HB ARG 67 -6.579 12.058 -4.739 502 HB3 ARG 67 2HB ARG 67 -7.829 10.823 -4.671 503 HG2 ARG 67 1HG ARG 67 -9.427 12.496 -3.864 504 HG3 ARG 67 2HG ARG 67 -8.170 13.731 -3.967 505 HD2 ARG 67 1HD ARG 67 -9.530 13.880 -5.931 506 HD3 ARG 67 2HD ARG 67 -7.962 13.221 -6.394 507 HE ARG 67 HE ARG 67 -9.668 11.079 -5.871 508 HH11 ARG 67 2HH1 ARG 67 -9.355 13.695 -8.147 509 HH12 ARG 67 1HH1 ARG 67 -10.126 12.836 -9.439 510 HH21 ARG 67 2HH2 ARG 67 -10.684 9.938 -7.564 511 HH22 ARG 67 1HH2 ARG 67 -10.883 10.699 -9.106 512 H VAL 68 H VAL 68 -7.239 8.961 -3.206 513 HA VAL 68 HA VAL 68 -9.807 8.284 -2.493 514 HB VAL 68 HB VAL 68 -9.075 6.004 -2.261 515 HG11 VAL 68 1HG1 VAL 68 -8.263 7.696 -4.443 516 HG12 VAL 68 2HG1 VAL 68 -7.175 6.316 -4.285 517 HG13 VAL 68 3HG1 VAL 68 -8.909 6.056 -4.477 518 HG21 VAL 68 1HG2 VAL 68 -6.206 6.485 -2.520 519 HG22 VAL 68 2HG2 VAL 68 -6.881 7.035 -0.987 520 HG23 VAL 68 3HG2 VAL 68 -7.077 5.355 -1.484 521 H HIS 69 H HIS 69 -7.199 9.165 -0.439 522 HA HIS 69 HA HIS 69 -8.782 8.372 1.917 523 HB2 HIS 69 1HB HIS 69 -5.789 8.742 1.907 524 HB3 HIS 69 2HB HIS 69 -6.783 7.993 3.152 525 HD1 HIS 69 1HD HIS 69 -8.328 5.913 1.679 526 HD2 HIS 69 2HD HIS 69 -4.347 6.736 0.823 527 HE1 HIS 69 1HE HIS 69 -7.438 3.841 0.566 528 H THR 70 H THR 70 -9.789 10.153 2.601 529 HA THR 70 HA THR 70 -8.997 12.791 2.149 530 HB THR 70 HB THR 70 -10.563 13.375 4.031 531 HG1 THR 70 1HG THR 70 -10.511 11.652 5.382 532 HG21 THR 70 1HG2 THR 70 -12.562 12.123 2.858 533 HG22 THR 70 2HG2 THR 70 -11.315 11.689 1.689 534 HG23 THR 70 3HG2 THR 70 -11.666 13.386 2.015 535 H GLY 71 H GLY 71 -8.443 14.412 3.852 536 HA2 GLY 71 1HA GLY 71 -7.051 13.494 6.197 537 HA3 GLY 71 2HA GLY 71 -5.969 14.052 4.931 538 H SER 72 H SER 72 -6.456 15.147 7.610 539 HA SER 72 HA SER 72 -7.195 17.872 6.784 540 HB2 SER 72 1HB SER 72 -8.183 18.198 9.068 541 HB3 SER 72 2HB SER 72 -9.069 17.052 8.062 542 HG SER 72 HG SER 72 -7.408 15.545 9.268 543 H GLY 73 H GLY 73 -5.413 19.064 6.898 544 HA2 GLY 73 1HA GLY 73 -3.171 18.346 8.522 545 HA3 GLY 73 2HA GLY 73 -3.333 19.807 7.559 546 HA PRO 74 HA PRO 74 -4.155 22.279 11.082 547 HB2 PRO 74 1HB PRO 74 -6.388 23.697 10.468 548 HB3 PRO 74 2HB PRO 74 -4.822 23.991 9.702 549 HG2 PRO 74 1HG PRO 74 -7.166 22.432 8.683 550 HG3 PRO 74 2HG PRO 74 -6.122 23.577 7.819 551 HD2 PRO 74 1HD PRO 74 -5.830 20.893 7.607 552 HD3 PRO 74 2HD PRO 74 -4.457 22.015 7.503 553 H SER 75 H SER 75 -5.350 22.495 12.997 554 HA SER 75 HA SER 75 -7.408 20.433 13.360 555 HB2 SER 75 1HB SER 75 -6.893 20.573 15.750 556 HB3 SER 75 2HB SER 75 -5.422 20.286 14.821 557 HG SER 75 HG SER 75 -5.462 22.808 14.913 558 H SER 76 H SER 76 -9.431 20.908 14.048 559 HA SER 76 HA SER 76 -10.085 23.544 15.055 560 HB2 SER 76 1HB SER 76 -11.093 22.547 12.388 561 HB3 SER 76 2HB SER 76 -11.903 23.821 13.300 562 HG SER 76 HG SER 76 -9.154 23.968 12.674 563 H GLY 77 H GLY 77 -12.180 23.664 15.995 564 HA2 GLY 77 1HA GLY 77 -13.476 21.033 16.359 565 HA3 GLY 77 2HA GLY 77 -13.217 22.141 17.698 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -36.338 20.320 -9.149 2 HA2 GLY 1 1HA GLY 1 -36.000 22.448 -7.394 3 HA3 GLY 1 2HA GLY 1 -36.672 21.126 -6.450 4 H SER 2 H SER 2 -34.194 22.157 -5.855 5 HA SER 2 HA SER 2 -32.571 19.808 -6.027 6 HB2 SER 2 1HB SER 2 -30.695 20.722 -7.235 7 HB3 SER 2 2HB SER 2 -32.132 20.912 -8.239 8 HG SER 2 HG SER 2 -31.427 22.907 -8.320 9 H SER 3 H SER 3 -31.826 19.660 -4.027 10 HA SER 3 HA SER 3 -30.672 22.042 -2.760 11 HB2 SER 3 1HB SER 3 -33.115 21.335 -2.004 12 HB3 SER 3 2HB SER 3 -32.225 20.155 -1.041 13 HG SER 3 HG SER 3 -30.971 22.409 -0.689 14 H GLY 4 H GLY 4 -28.755 21.680 -1.820 15 HA2 GLY 4 1HA GLY 4 -27.763 18.924 -1.794 16 HA3 GLY 4 2HA GLY 4 -26.781 20.379 -1.700 17 H SER 5 H SER 5 -25.758 19.081 0.050 18 HA SER 5 HA SER 5 -26.979 19.809 2.600 19 HB2 SER 5 1HB SER 5 -26.150 17.003 1.845 20 HB3 SER 5 2HB SER 5 -26.356 17.524 3.517 21 HG SER 5 HG SER 5 -28.277 17.202 1.498 22 H SER 6 H SER 6 -25.528 20.398 4.138 23 HA SER 6 HA SER 6 -22.718 20.451 3.313 24 HB2 SER 6 1HB SER 6 -23.589 22.624 3.860 25 HB3 SER 6 2HB SER 6 -24.244 22.036 5.388 26 HG SER 6 HG SER 6 -22.136 21.742 6.129 27 H GLY 7 H GLY 7 -21.133 19.432 4.414 28 HA2 GLY 7 1HA GLY 7 -21.799 18.215 7.009 29 HA3 GLY 7 2HA GLY 7 -21.160 17.205 5.722 30 H ARG 8 H ARG 8 -20.213 18.296 8.482 31 HA ARG 8 HA ARG 8 -17.977 19.903 8.154 32 HB2 ARG 8 1HB ARG 8 -18.537 17.704 10.144 33 HB3 ARG 8 2HB ARG 8 -17.130 18.754 10.246 34 HG2 ARG 8 1HG ARG 8 -18.453 20.659 10.648 35 HG3 ARG 8 2HG ARG 8 -19.932 19.827 10.165 36 HD2 ARG 8 1HD ARG 8 -20.154 19.705 12.432 37 HD3 ARG 8 2HD ARG 8 -19.250 18.219 12.146 38 HE ARG 8 HE ARG 8 -17.499 20.402 12.616 39 HH11 ARG 8 2HH1 ARG 8 -19.646 18.184 14.226 40 HH12 ARG 8 1HH1 ARG 8 -18.804 18.263 15.738 41 HH21 ARG 8 2HH2 ARG 8 -16.382 20.515 14.602 42 HH22 ARG 8 1HH2 ARG 8 -16.949 19.590 15.951 43 H SER 9 H SER 9 -15.709 19.378 8.139 44 HA SER 9 HA SER 9 -15.122 16.816 6.806 45 HB2 SER 9 1HB SER 9 -13.703 19.440 6.302 46 HB3 SER 9 2HB SER 9 -13.471 17.923 5.432 47 HG SER 9 HG SER 9 -15.974 19.235 5.537 48 H GLU 10 H GLU 10 -12.885 16.063 7.063 49 HA GLU 10 HA GLU 10 -11.399 17.147 9.311 50 HB2 GLU 10 1HB GLU 10 -11.312 14.991 10.493 51 HB3 GLU 10 2HB GLU 10 -12.949 15.627 10.412 52 HG2 GLU 10 1HG GLU 10 -12.036 13.702 8.333 53 HG3 GLU 10 2HG GLU 10 -12.466 13.107 9.935 54 H TRP 11 H TRP 11 -9.238 16.746 9.193 55 HA TRP 11 HA TRP 11 -8.294 14.819 7.191 56 HB2 TRP 11 1HB TRP 11 -6.469 16.725 6.784 57 HB3 TRP 11 2HB TRP 11 -7.969 16.652 5.863 58 HD1 TRP 11 HD TRP 11 -9.333 18.818 5.820 59 HE1 TRP 11 1HE TRP 11 -9.384 20.990 7.201 60 HE3 TRP 11 3HE TRP 11 -5.964 17.551 9.450 61 HZ2 TRP 11 2HZ TRP 11 -8.157 22.028 9.521 62 HZ3 TRP 11 3HZ TRP 11 -5.458 19.190 11.214 63 HH2 TRP 11 HH TRP 11 -6.533 21.382 11.247 64 H GLN 12 H GLN 12 -5.769 14.711 7.356 65 HA GLN 12 HA GLN 12 -5.176 13.835 9.994 66 HB2 GLN 12 1HB GLN 12 -4.244 13.014 7.701 67 HB3 GLN 12 2HB GLN 12 -3.067 14.304 7.915 68 HG2 GLN 12 1HG GLN 12 -2.494 13.297 10.130 69 HG3 GLN 12 2HG GLN 12 -3.527 11.934 9.705 70 HE21 GLN 12 1HE2 GLN 12 -0.901 13.858 8.287 71 HE22 GLN 12 2HE2 GLN 12 -0.043 12.512 7.626 72 H GLN 13 H GLN 13 -4.309 14.900 11.651 73 HA GLN 13 HA GLN 13 -3.411 17.652 11.209 74 HB2 GLN 13 1HB GLN 13 -3.695 17.942 13.620 75 HB3 GLN 13 2HB GLN 13 -5.163 17.310 12.887 76 HG2 GLN 13 1HG GLN 13 -4.882 15.210 13.827 77 HG3 GLN 13 2HG GLN 13 -3.162 15.462 14.116 78 HE21 GLN 13 1HE2 GLN 13 -2.921 15.296 16.239 79 HE22 GLN 13 2HE2 GLN 13 -3.823 16.172 17.424 80 H ARG 14 H ARG 14 -1.543 18.432 12.466 81 HA ARG 14 HA ARG 14 0.786 17.092 11.896 82 HB2 ARG 14 1HB ARG 14 0.172 19.134 14.024 83 HB3 ARG 14 2HB ARG 14 1.800 18.530 13.751 84 HG2 ARG 14 1HG ARG 14 1.970 19.541 11.679 85 HG3 ARG 14 2HG ARG 14 0.220 19.661 11.483 86 HD2 ARG 14 1HD ARG 14 0.693 21.834 11.990 87 HD3 ARG 14 2HD ARG 14 0.447 21.202 13.617 88 HE ARG 14 HE ARG 14 2.652 21.599 14.056 89 HH11 ARG 14 2HH1 ARG 14 2.175 21.589 10.607 90 HH12 ARG 14 1HH1 ARG 14 3.789 22.109 10.251 91 HH21 ARG 14 2HH2 ARG 14 4.780 22.284 13.600 92 HH22 ARG 14 1HH2 ARG 14 5.270 22.503 11.954 93 H GLU 15 H GLU 15 0.846 14.945 12.442 94 HA GLU 15 HA GLU 15 0.165 13.956 15.021 95 HB2 GLU 15 1HB GLU 15 0.219 12.670 12.808 96 HB3 GLU 15 2HB GLU 15 1.958 12.565 13.040 97 HG2 GLU 15 1HG GLU 15 1.206 10.567 13.906 98 HG3 GLU 15 2HG GLU 15 1.367 11.574 15.343 99 H ARG 16 H ARG 16 1.471 13.317 16.716 100 HA ARG 16 HA ARG 16 4.266 14.244 16.600 101 HB2 ARG 16 1HB ARG 16 2.258 14.460 18.839 102 HB3 ARG 16 2HB ARG 16 3.987 14.642 19.101 103 HG2 ARG 16 1HG ARG 16 2.561 16.301 17.060 104 HG3 ARG 16 2HG ARG 16 2.555 16.748 18.767 105 HD2 ARG 16 1HD ARG 16 4.820 17.169 18.803 106 HD3 ARG 16 2HD ARG 16 5.145 16.099 17.439 107 HE ARG 16 HE ARG 16 3.592 18.449 16.799 108 HH11 ARG 16 2HH1 ARG 16 6.769 17.048 17.047 109 HH12 ARG 16 1HH1 ARG 16 7.495 18.178 15.953 110 HH21 ARG 16 2HH2 ARG 16 4.536 19.943 15.357 111 HH22 ARG 16 1HH2 ARG 16 6.224 19.825 14.993 112 H ARG 17 H ARG 17 5.540 12.512 16.554 113 HA ARG 17 HA ARG 17 5.246 10.487 18.619 114 HB2 ARG 17 1HB ARG 17 5.305 9.782 15.679 115 HB3 ARG 17 2HB ARG 17 5.426 8.629 17.002 116 HG2 ARG 17 1HG ARG 17 3.145 9.752 17.717 117 HG3 ARG 17 2HG ARG 17 3.072 10.125 15.993 118 HD2 ARG 17 1HD ARG 17 1.958 8.039 16.352 119 HD3 ARG 17 2HD ARG 17 3.480 7.712 15.526 120 HE ARG 17 HE ARG 17 4.115 7.407 18.138 121 HH11 ARG 17 2HH1 ARG 17 1.606 6.095 16.112 122 HH12 ARG 17 1HH1 ARG 17 1.494 4.606 16.991 123 HH21 ARG 17 2HH2 ARG 17 3.978 5.451 19.303 124 HH22 ARG 17 1HH2 ARG 17 2.843 4.241 18.807 125 H ARG 18 H ARG 18 7.149 9.125 18.831 126 HA ARG 18 HA ARG 18 9.535 10.520 18.812 127 HB2 ARG 18 1HB ARG 18 8.833 7.625 19.024 128 HB3 ARG 18 2HB ARG 18 10.523 8.069 18.834 129 HG2 ARG 18 1HG ARG 18 10.402 8.049 21.098 130 HG3 ARG 18 2HG ARG 18 9.933 9.726 20.809 131 HD2 ARG 18 1HD ARG 18 8.425 8.705 22.405 132 HD3 ARG 18 2HD ARG 18 7.568 9.061 20.906 133 HE ARG 18 HE ARG 18 8.366 6.481 20.605 134 HH11 ARG 18 2HH1 ARG 18 6.572 8.201 23.042 135 HH12 ARG 18 1HH1 ARG 18 5.621 6.827 23.498 136 HH21 ARG 18 2HH2 ARG 18 7.121 4.663 21.196 137 HH22 ARG 18 1HH2 ARG 18 5.935 4.815 22.449 138 H TYR 19 H TYR 19 8.927 7.699 16.718 139 HA TYR 19 HA TYR 19 10.491 9.048 14.616 140 HB2 TYR 19 1HB TYR 19 10.479 6.142 15.430 141 HB3 TYR 19 2HB TYR 19 11.138 6.699 13.896 142 HD1 TYR 19 2HD TYR 19 11.578 6.723 17.544 143 HD2 TYR 19 1HD TYR 19 13.235 7.882 13.800 144 HE1 TYR 19 2HE TYR 19 13.724 7.198 18.647 145 HE2 TYR 19 1HE TYR 19 15.386 8.360 14.893 146 HH TYR 19 HH TYR 19 16.264 8.876 17.083 147 H LYS 20 H LYS 20 9.747 8.937 12.533 148 HA LYS 20 HA LYS 20 7.394 7.323 11.937 149 HB2 LYS 20 1HB LYS 20 6.571 9.525 12.790 150 HB3 LYS 20 2HB LYS 20 7.419 10.309 11.464 151 HG2 LYS 20 1HG LYS 20 6.040 9.077 9.860 152 HG3 LYS 20 2HG LYS 20 5.181 8.310 11.198 153 HD2 LYS 20 1HD LYS 20 4.199 10.336 11.869 154 HD3 LYS 20 2HD LYS 20 5.334 11.298 10.919 155 HE2 LYS 20 1HE LYS 20 3.401 9.380 9.648 156 HE3 LYS 20 2HE LYS 20 2.962 11.048 10.013 157 HZ1 LYS 20 1HZ LYS 20 4.346 11.862 8.420 158 HZ2 LYS 20 2HZ LYS 20 3.960 10.381 7.700 159 HZ3 LYS 20 3HZ LYS 20 5.431 10.567 8.514 160 H CYS 21 H CYS 21 6.868 7.334 9.609 161 HA CYS 21 HA CYS 21 9.285 7.804 7.989 162 HB2 CYS 21 1HB CYS 21 8.479 5.392 8.391 163 HB3 CYS 21 2HB CYS 21 7.146 5.795 7.314 164 H ASP 22 H ASP 22 8.438 9.991 7.676 165 HA ASP 22 HA ASP 22 6.087 10.834 6.667 166 HB2 ASP 22 1HB ASP 22 8.727 11.712 5.488 167 HB3 ASP 22 2HB ASP 22 7.239 12.649 5.589 168 H GLU 23 H GLU 23 8.450 8.899 4.986 169 HA GLU 23 HA GLU 23 7.744 9.225 2.348 170 HB2 GLU 23 1HB GLU 23 8.664 6.812 3.885 171 HB3 GLU 23 2HB GLU 23 8.318 6.709 2.165 172 HG2 GLU 23 1HG GLU 23 10.574 7.108 2.163 173 HG3 GLU 23 2HG GLU 23 9.926 8.738 1.986 174 H CYS 24 H CYS 24 6.334 6.870 4.624 175 HA CYS 24 HA CYS 24 4.009 6.658 2.830 176 HB2 CYS 24 1HB CYS 24 3.573 4.506 4.115 177 HB3 CYS 24 2HB CYS 24 4.982 4.509 3.060 178 H GLY 25 H GLY 25 4.903 6.693 6.279 179 HA2 GLY 25 1HA GLY 25 3.655 8.458 7.570 180 HA3 GLY 25 2HA GLY 25 2.209 7.762 6.854 181 H LYS 26 H LYS 26 4.917 5.832 7.945 182 HA LYS 26 HA LYS 26 3.171 4.680 10.011 183 HB2 LYS 26 1HB LYS 26 4.317 3.330 8.048 184 HB3 LYS 26 2HB LYS 26 5.703 3.360 9.130 185 HG2 LYS 26 1HG LYS 26 4.622 2.095 10.753 186 HG3 LYS 26 2HG LYS 26 3.022 2.443 10.094 187 HD2 LYS 26 1HD LYS 26 3.227 0.888 8.414 188 HD3 LYS 26 2HD LYS 26 4.989 0.984 8.394 189 HE2 LYS 26 1HE LYS 26 4.593 -1.095 9.346 190 HE3 LYS 26 2HE LYS 26 4.840 -0.060 10.752 191 HZ1 LYS 26 1HZ LYS 26 2.380 -1.311 9.774 192 HZ2 LYS 26 2HZ LYS 26 2.253 0.180 10.562 193 HZ3 LYS 26 3HZ LYS 26 2.947 -1.141 11.359 194 H SER 27 H SER 27 4.046 4.160 12.074 195 HA SER 27 HA SER 27 6.480 5.667 12.771 196 HB2 SER 27 1HB SER 27 5.375 6.103 15.001 197 HB3 SER 27 2HB SER 27 4.638 6.937 13.633 198 HG SER 27 HG SER 27 3.720 4.496 14.756 199 H PHE 28 H PHE 28 7.480 4.927 14.835 200 HA PHE 28 HA PHE 28 6.897 2.191 15.614 201 HB2 PHE 28 1HB PHE 28 9.629 2.945 14.556 202 HB3 PHE 28 2HB PHE 28 9.145 1.370 15.178 203 HD1 PHE 28 1HD PHE 28 8.397 3.820 12.488 204 HD2 PHE 28 2HD PHE 28 8.302 -0.246 13.744 205 HE1 PHE 28 1HE PHE 28 7.720 3.139 10.222 206 HE2 PHE 28 2HE PHE 28 7.627 -0.933 11.480 207 HZ PHE 28 HZ PHE 28 7.336 0.760 9.716 208 H SER 29 H SER 29 8.704 1.503 17.290 209 HA SER 29 HA SER 29 8.852 3.714 19.211 210 HB2 SER 29 1HB SER 29 9.181 0.739 19.669 211 HB3 SER 29 2HB SER 29 9.132 1.980 20.920 212 HG SER 29 HG SER 29 6.981 2.466 19.767 213 H HIS 30 H HIS 30 10.831 1.197 17.711 214 HA HIS 30 HA HIS 30 13.238 2.443 18.842 215 HB2 HIS 30 1HB HIS 30 12.639 -0.139 18.912 216 HB3 HIS 30 2HB HIS 30 13.348 -0.112 17.300 217 HD1 HIS 30 1HD HIS 30 15.843 -0.176 17.164 218 HD2 HIS 30 2HD HIS 30 14.489 0.727 20.986 219 HE1 HIS 30 1HE HIS 30 17.890 -0.196 18.624 220 H SER 31 H SER 31 14.812 3.310 17.573 221 HA SER 31 HA SER 31 14.116 4.248 15.009 222 HB2 SER 31 1HB SER 31 16.470 5.038 14.897 223 HB3 SER 31 2HB SER 31 15.681 5.473 16.413 224 HG SER 31 HG SER 31 16.963 4.152 17.479 225 H SER 32 H SER 32 16.351 1.692 16.051 226 HA SER 32 HA SER 32 17.409 0.955 13.616 227 HB2 SER 32 1HB SER 32 17.860 0.034 16.013 228 HB3 SER 32 2HB SER 32 16.614 -1.148 15.610 229 HG SER 32 HG SER 32 18.532 -2.032 14.982 230 H ASP 33 H ASP 33 14.394 -0.185 15.107 231 HA ASP 33 HA ASP 33 13.645 -2.022 13.153 232 HB2 ASP 33 1HB ASP 33 11.986 -0.302 14.998 233 HB3 ASP 33 2HB ASP 33 11.284 -1.534 13.952 234 H LEU 34 H LEU 34 12.652 1.390 13.453 235 HA LEU 34 HA LEU 34 11.128 1.576 11.152 236 HB2 LEU 34 1HB LEU 34 11.017 3.408 12.568 237 HB3 LEU 34 2HB LEU 34 12.770 3.544 12.691 238 HG LEU 34 HG LEU 34 12.619 4.214 10.175 239 HD11 LEU 34 1HD1 LEU 34 10.445 3.927 9.529 240 HD12 LEU 34 2HD1 LEU 34 10.404 5.622 10.014 241 HD13 LEU 34 3HD1 LEU 34 9.797 4.379 11.107 242 HD21 LEU 34 1HD2 LEU 34 12.358 5.708 12.660 243 HD22 LEU 34 2HD2 LEU 34 11.718 6.577 11.264 244 HD23 LEU 34 3HD2 LEU 34 13.388 6.006 11.260 245 H SER 35 H SER 35 14.625 1.962 11.539 246 HA SER 35 HA SER 35 15.314 2.867 9.027 247 HB2 SER 35 1HB SER 35 17.016 2.719 10.690 248 HB3 SER 35 2HB SER 35 16.762 0.986 10.895 249 HG SER 35 HG SER 35 18.370 2.268 9.164 250 H LYS 36 H LYS 36 14.935 -0.508 10.083 251 HA LYS 36 HA LYS 36 15.503 -1.665 7.572 252 HB2 LYS 36 1HB LYS 36 13.848 -2.760 9.855 253 HB3 LYS 36 2HB LYS 36 14.470 -3.701 8.505 254 HG2 LYS 36 1HG LYS 36 16.762 -3.156 9.207 255 HG3 LYS 36 2HG LYS 36 16.110 -2.273 10.589 256 HD2 LYS 36 1HD LYS 36 15.263 -5.098 10.171 257 HD3 LYS 36 2HD LYS 36 16.879 -4.786 10.808 258 HE2 LYS 36 1HE LYS 36 15.831 -3.368 12.571 259 HE3 LYS 36 2HE LYS 36 14.251 -3.880 11.978 260 HZ1 LYS 36 1HZ LYS 36 14.431 -5.620 13.316 261 HZ2 LYS 36 2HZ LYS 36 16.028 -5.237 13.718 262 HZ3 LYS 36 3HZ LYS 36 15.704 -6.194 12.361 263 H HIS 37 H HIS 37 12.619 -0.285 8.942 264 HA HIS 37 HA HIS 37 10.751 -1.458 7.156 265 HB2 HIS 37 1HB HIS 37 9.659 -0.593 8.978 266 HB3 HIS 37 2HB HIS 37 10.732 0.798 9.097 267 HD1 HIS 37 1HD HIS 37 7.655 -0.409 7.322 268 HD2 HIS 37 2HD HIS 37 9.906 3.061 7.709 269 HE1 HIS 37 1HE HIS 37 6.264 1.413 6.288 270 H ARG 38 H ARG 38 12.612 1.545 7.106 271 HA ARG 38 HA ARG 38 11.402 2.693 4.844 272 HB2 ARG 38 1HB ARG 38 13.940 3.085 6.333 273 HB3 ARG 38 2HB ARG 38 13.876 3.721 4.695 274 HG2 ARG 38 1HG ARG 38 13.123 5.539 5.819 275 HG3 ARG 38 2HG ARG 38 11.583 4.716 5.568 276 HD2 ARG 38 1HD ARG 38 11.487 5.221 7.816 277 HD3 ARG 38 2HD ARG 38 12.128 3.579 7.842 278 HE ARG 38 HE ARG 38 14.053 4.400 8.752 279 HH11 ARG 38 2HH1 ARG 38 12.319 7.019 7.252 280 HH12 ARG 38 1HH1 ARG 38 13.401 8.241 7.834 281 HH21 ARG 38 2HH2 ARG 38 15.485 5.999 9.524 282 HH22 ARG 38 1HH2 ARG 38 15.202 7.659 9.125 283 H ARG 39 H ARG 39 14.032 0.385 5.193 284 HA ARG 39 HA ARG 39 15.061 0.438 2.608 285 HB2 ARG 39 1HB ARG 39 14.837 -1.800 4.617 286 HB3 ARG 39 2HB ARG 39 15.672 -1.988 3.081 287 HG2 ARG 39 1HG ARG 39 17.110 -0.036 3.744 288 HG3 ARG 39 2HG ARG 39 16.379 -0.146 5.346 289 HD2 ARG 39 1HD ARG 39 18.109 -2.153 3.932 290 HD3 ARG 39 2HD ARG 39 18.383 -1.371 5.488 291 HE ARG 39 HE ARG 39 16.046 -2.804 5.764 292 HH11 ARG 39 2HH1 ARG 39 19.371 -3.496 4.996 293 HH12 ARG 39 1HH1 ARG 39 19.332 -5.089 5.677 294 HH21 ARG 39 2HH2 ARG 39 15.983 -4.899 6.663 295 HH22 ARG 39 1HH2 ARG 39 17.405 -5.886 6.624 296 H THR 40 H THR 40 12.309 -1.350 3.922 297 HA THR 40 HA THR 40 11.710 -3.028 1.827 298 HB THR 40 HB THR 40 10.500 -2.730 4.098 299 HG1 THR 40 1HG THR 40 8.855 -3.200 1.825 300 HG21 THR 40 1HG2 THR 40 8.386 -1.285 2.630 301 HG22 THR 40 2HG2 THR 40 9.784 -0.322 3.110 302 HG23 THR 40 3HG2 THR 40 8.853 -1.195 4.327 303 H HIS 41 H HIS 41 11.599 0.392 1.878 304 HA HIS 41 HA HIS 41 9.652 0.768 -0.172 305 HB2 HIS 41 1HB HIS 41 11.822 2.574 0.905 306 HB3 HIS 41 2HB HIS 41 10.638 3.081 -0.296 307 HD1 HIS 41 1HD HIS 41 8.066 1.987 0.865 308 HD2 HIS 41 2HD HIS 41 11.002 3.812 3.168 309 HE1 HIS 41 1HE HIS 41 6.889 2.799 2.934 310 H THR 42 H THR 42 13.127 0.308 -0.109 311 HA THR 42 HA THR 42 13.983 1.148 -2.537 312 HB THR 42 HB THR 42 15.609 -0.675 -2.561 313 HG1 THR 42 1HG THR 42 14.387 -1.808 -0.283 314 HG21 THR 42 1HG2 THR 42 16.450 -0.427 -0.178 315 HG22 THR 42 2HG2 THR 42 14.999 0.526 0.133 316 HG23 THR 42 3HG2 THR 42 16.173 1.072 -1.064 317 H GLY 43 H GLY 43 13.815 0.569 -4.650 318 HA2 GLY 43 1HA GLY 43 13.362 -1.528 -6.079 319 HA3 GLY 43 2HA GLY 43 11.806 -1.493 -5.264 320 H GLU 44 H GLU 44 12.641 -1.167 -8.139 321 HA GLU 44 HA GLU 44 11.834 1.565 -8.722 322 HB2 GLU 44 1HB GLU 44 13.662 0.504 -10.006 323 HB3 GLU 44 2HB GLU 44 12.528 -0.698 -10.603 324 HG2 GLU 44 1HG GLU 44 11.198 1.278 -11.525 325 HG3 GLU 44 2HG GLU 44 12.652 2.228 -11.226 326 H LYS 45 H LYS 45 9.703 1.864 -8.386 327 HA LYS 45 HA LYS 45 7.817 -0.098 -9.490 328 HB2 LYS 45 1HB LYS 45 7.677 1.907 -7.287 329 HB3 LYS 45 2HB LYS 45 6.190 1.505 -8.135 330 HG2 LYS 45 1HG LYS 45 6.131 -0.002 -6.419 331 HG3 LYS 45 2HG LYS 45 6.942 -0.956 -7.664 332 HD2 LYS 45 1HD LYS 45 9.094 0.137 -6.560 333 HD3 LYS 45 2HD LYS 45 8.023 0.227 -5.160 334 HE2 LYS 45 1HE LYS 45 8.938 -1.845 -4.838 335 HE3 LYS 45 2HE LYS 45 7.524 -2.276 -5.798 336 HZ1 LYS 45 1HZ LYS 45 9.123 -3.384 -6.941 337 HZ2 LYS 45 2HZ LYS 45 10.351 -2.291 -6.542 338 HZ3 LYS 45 3HZ LYS 45 9.230 -1.900 -7.747 339 HA PRO 46 HA PRO 46 6.795 2.601 -12.819 340 HB2 PRO 46 1HB PRO 46 4.336 1.617 -13.414 341 HB3 PRO 46 2HB PRO 46 5.833 0.765 -13.810 342 HG2 PRO 46 1HG PRO 46 3.963 0.340 -11.511 343 HG3 PRO 46 2HG PRO 46 4.765 -0.863 -12.539 344 HD2 PRO 46 1HD PRO 46 5.669 -0.222 -10.068 345 HD3 PRO 46 2HD PRO 46 6.755 -0.704 -11.387 346 H TYR 47 H TYR 47 5.327 2.671 -9.813 347 HA TYR 47 HA TYR 47 3.976 5.182 -10.474 348 HB2 TYR 47 1HB TYR 47 2.674 3.041 -8.782 349 HB3 TYR 47 2HB TYR 47 1.981 4.591 -9.244 350 HD1 TYR 47 2HD TYR 47 1.284 4.985 -11.587 351 HD2 TYR 47 1HD TYR 47 2.633 1.171 -10.271 352 HE1 TYR 47 2HE TYR 47 0.295 3.952 -13.588 353 HE2 TYR 47 1HE TYR 47 1.650 0.127 -12.269 354 HH TYR 47 HH TYR 47 0.675 1.854 -14.953 355 H LYS 48 H LYS 48 4.412 6.743 -9.054 356 HA LYS 48 HA LYS 48 5.049 6.096 -6.290 357 HB2 LYS 48 1HB LYS 48 7.194 6.050 -7.664 358 HB3 LYS 48 2HB LYS 48 6.964 7.778 -7.902 359 HG2 LYS 48 1HG LYS 48 6.815 7.834 -5.302 360 HG3 LYS 48 2HG LYS 48 7.650 6.283 -5.416 361 HD2 LYS 48 1HD LYS 48 9.295 7.515 -6.959 362 HD3 LYS 48 2HD LYS 48 8.580 8.993 -6.312 363 HE2 LYS 48 1HE LYS 48 10.413 8.621 -4.925 364 HE3 LYS 48 2HE LYS 48 9.060 7.965 -4.005 365 HZ1 LYS 48 1HZ LYS 48 10.158 5.967 -5.675 366 HZ2 LYS 48 2HZ LYS 48 10.023 5.986 -3.989 367 HZ3 LYS 48 3HZ LYS 48 11.385 6.656 -4.736 368 H CYS 49 H CYS 49 4.419 7.653 -4.892 369 HA CYS 49 HA CYS 49 3.000 9.931 -5.997 370 HB2 CYS 49 1HB CYS 49 2.005 8.545 -4.188 371 HB3 CYS 49 2HB CYS 49 3.297 9.068 -3.113 372 H ASP 50 H ASP 50 3.254 12.084 -4.962 373 HA ASP 50 HA ASP 50 6.105 12.638 -4.483 374 HB2 ASP 50 1HB ASP 50 5.225 13.700 -6.502 375 HB3 ASP 50 2HB ASP 50 3.943 14.458 -5.562 376 H GLU 51 H GLU 51 2.825 13.416 -3.424 377 HA GLU 51 HA GLU 51 3.453 15.244 -1.410 378 HB2 GLU 51 1HB GLU 51 1.176 13.279 -1.657 379 HB3 GLU 51 2HB GLU 51 1.271 14.482 -0.379 380 HG2 GLU 51 1HG GLU 51 1.262 16.263 -2.040 381 HG3 GLU 51 2HG GLU 51 1.189 15.065 -3.331 382 H CYS 52 H CYS 52 2.932 11.728 -1.148 383 HA CYS 52 HA CYS 52 4.145 11.785 1.519 384 HB2 CYS 52 1HB CYS 52 3.187 9.610 1.865 385 HB3 CYS 52 2HB CYS 52 1.939 10.643 1.175 386 H GLY 53 H GLY 53 4.493 10.280 -1.660 387 HA2 GLY 53 1HA GLY 53 6.570 9.745 -2.645 388 HA3 GLY 53 2HA GLY 53 7.308 9.776 -1.050 389 H LYS 54 H LYS 54 4.379 8.022 -1.903 390 HA LYS 54 HA LYS 54 5.633 5.556 -1.001 391 HB2 LYS 54 1HB LYS 54 3.264 6.401 -0.369 392 HB3 LYS 54 2HB LYS 54 2.793 5.803 -1.955 393 HG2 LYS 54 1HG LYS 54 2.303 4.020 -0.580 394 HG3 LYS 54 2HG LYS 54 3.906 3.597 -1.187 395 HD2 LYS 54 1HD LYS 54 4.934 4.367 0.849 396 HD3 LYS 54 2HD LYS 54 3.391 4.985 1.442 397 HE2 LYS 54 1HE LYS 54 3.940 2.085 0.828 398 HE3 LYS 54 2HE LYS 54 4.075 2.800 2.433 399 HZ1 LYS 54 1HZ LYS 54 1.567 3.185 0.982 400 HZ2 LYS 54 2HZ LYS 54 1.836 2.989 2.640 401 HZ3 LYS 54 3HZ LYS 54 1.873 1.646 1.613 402 H ALA 55 H ALA 55 5.644 3.625 -2.228 403 HA ALA 55 HA ALA 55 5.463 4.053 -5.140 404 HB1 ALA 55 1HB ALA 55 7.761 3.815 -4.617 405 HB2 ALA 55 2HB ALA 55 7.449 2.439 -3.558 406 HB3 ALA 55 3HB ALA 55 7.243 2.275 -5.302 407 H PHE 56 H PHE 56 4.436 2.535 -6.365 408 HA PHE 56 HA PHE 56 3.512 0.075 -5.078 409 HB2 PHE 56 1HB PHE 56 1.573 1.717 -6.684 410 HB3 PHE 56 2HB PHE 56 1.239 0.414 -5.549 411 HD1 PHE 56 1HD PHE 56 1.331 0.814 -3.136 412 HD2 PHE 56 2HD PHE 56 1.872 3.967 -5.944 413 HE1 PHE 56 1HE PHE 56 0.939 2.464 -1.353 414 HE2 PHE 56 2HE PHE 56 1.483 5.622 -4.166 415 HZ PHE 56 HZ PHE 56 1.016 4.872 -1.866 416 H ILE 57 H ILE 57 2.797 -1.555 -6.580 417 HA ILE 57 HA ILE 57 4.240 -1.383 -9.105 418 HB ILE 57 HB ILE 57 3.211 -3.881 -9.126 419 HG12 ILE 57 1HG1 ILE 57 3.728 -3.322 -6.203 420 HG13 ILE 57 2HG1 ILE 57 2.110 -3.374 -6.896 421 HG21 ILE 57 1HG2 ILE 57 5.496 -3.624 -9.442 422 HG22 ILE 57 2HG2 ILE 57 5.711 -2.766 -7.917 423 HG23 ILE 57 3HG2 ILE 57 5.408 -4.503 -7.916 424 HD11 ILE 57 1HD1 ILE 57 2.086 -5.605 -6.956 425 HD12 ILE 57 2HD1 ILE 57 3.756 -5.709 -7.514 426 HD13 ILE 57 3HD1 ILE 57 3.411 -5.486 -5.799 427 H GLN 58 H GLN 58 0.988 -2.358 -8.011 428 HA GLN 58 HA GLN 58 -0.037 -2.244 -10.710 429 HB2 GLN 58 1HB GLN 58 -0.785 -3.913 -8.968 430 HB3 GLN 58 2HB GLN 58 -1.607 -2.588 -8.156 431 HG2 GLN 58 1HG GLN 58 -3.046 -4.007 -9.628 432 HG3 GLN 58 2HG GLN 58 -3.093 -2.277 -9.966 433 HE21 GLN 58 1HE2 GLN 58 -3.694 -2.422 -12.076 434 HE22 GLN 58 2HE2 GLN 58 -2.695 -3.096 -13.313 435 H ARG 59 H ARG 59 -1.709 -0.853 -11.426 436 HA ARG 59 HA ARG 59 -1.375 1.848 -10.706 437 HB2 ARG 59 1HB ARG 59 -2.091 1.277 -12.932 438 HB3 ARG 59 2HB ARG 59 -3.527 0.471 -12.314 439 HG2 ARG 59 1HG ARG 59 -4.458 2.436 -12.957 440 HG3 ARG 59 2HG ARG 59 -3.997 2.873 -11.310 441 HD2 ARG 59 1HD ARG 59 -2.202 4.149 -12.010 442 HD3 ARG 59 2HD ARG 59 -2.070 3.301 -13.550 443 HE ARG 59 HE ARG 59 -3.550 4.791 -14.449 444 HH11 ARG 59 2HH1 ARG 59 -3.763 4.943 -10.978 445 HH12 ARG 59 1HH1 ARG 59 -4.826 6.311 -10.972 446 HH21 ARG 59 2HH2 ARG 59 -4.950 6.593 -14.455 447 HH22 ARG 59 1HH2 ARG 59 -5.501 7.248 -12.951 448 H SER 60 H SER 60 -3.959 -0.475 -9.989 449 HA SER 60 HA SER 60 -5.721 1.218 -8.674 450 HB2 SER 60 1HB SER 60 -6.469 -0.980 -9.163 451 HB3 SER 60 2HB SER 60 -5.117 -1.715 -8.302 452 HG SER 60 HG SER 60 -7.484 -0.636 -7.320 453 H HIS 61 H HIS 61 -2.908 -0.517 -7.413 454 HA HIS 61 HA HIS 61 -3.168 -0.084 -4.715 455 HB2 HIS 61 1HB HIS 61 -0.594 0.123 -6.291 456 HB3 HIS 61 2HB HIS 61 -0.734 -0.220 -4.570 457 HD1 HIS 61 1HD HIS 61 0.764 -2.264 -6.070 458 HD2 HIS 61 2HD HIS 61 -3.380 -2.372 -5.803 459 HE1 HIS 61 1HE HIS 61 0.124 -4.653 -6.521 460 H LEU 62 H LEU 62 -2.487 2.229 -7.200 461 HA LEU 62 HA LEU 62 -1.735 4.275 -5.255 462 HB2 LEU 62 1HB LEU 62 -0.405 4.129 -7.277 463 HB3 LEU 62 2HB LEU 62 -1.850 4.328 -8.267 464 HG LEU 62 HG LEU 62 -2.082 6.618 -7.153 465 HD11 LEU 62 1HD1 LEU 62 0.654 5.806 -6.250 466 HD12 LEU 62 2HD1 LEU 62 -0.647 6.559 -5.329 467 HD13 LEU 62 3HD1 LEU 62 0.251 7.501 -6.519 468 HD21 LEU 62 1HD2 LEU 62 0.410 6.491 -8.780 469 HD22 LEU 62 2HD2 LEU 62 -0.962 7.591 -8.902 470 HD23 LEU 62 3HD2 LEU 62 -1.105 5.935 -9.492 471 H ILE 63 H ILE 63 -4.266 3.518 -7.596 472 HA ILE 63 HA ILE 63 -5.744 5.841 -7.559 473 HB ILE 63 HB ILE 63 -6.777 3.004 -7.626 474 HG12 ILE 63 1HG1 ILE 63 -6.034 4.978 -9.791 475 HG13 ILE 63 2HG1 ILE 63 -5.271 3.428 -9.456 476 HG21 ILE 63 1HG2 ILE 63 -8.814 3.912 -8.579 477 HG22 ILE 63 2HG2 ILE 63 -8.524 4.608 -6.986 478 HG23 ILE 63 3HG2 ILE 63 -8.176 5.549 -8.435 479 HD11 ILE 63 1HD1 ILE 63 -6.562 2.863 -11.237 480 HD12 ILE 63 2HD1 ILE 63 -7.701 2.528 -9.932 481 HD13 ILE 63 3HD1 ILE 63 -7.820 4.034 -10.842 482 H GLY 64 H GLY 64 -5.751 3.201 -5.202 483 HA2 GLY 64 1HA GLY 64 -7.869 4.323 -3.628 484 HA3 GLY 64 2HA GLY 64 -6.819 2.992 -3.166 485 H HIS 65 H HIS 65 -4.335 4.226 -3.319 486 HA HIS 65 HA HIS 65 -4.007 5.327 -0.830 487 HB2 HIS 65 1HB HIS 65 -2.034 4.660 -1.885 488 HB3 HIS 65 2HB HIS 65 -2.403 5.555 -3.357 489 HD1 HIS 65 1HD HIS 65 -1.523 6.311 0.267 490 HD2 HIS 65 2HD HIS 65 -1.078 7.907 -3.543 491 HE1 HIS 65 1HE HIS 65 -0.085 8.353 0.558 492 H HIS 66 H HIS 66 -5.123 6.874 -3.726 493 HA HIS 66 HA HIS 66 -4.606 9.544 -3.206 494 HB2 HIS 66 1HB HIS 66 -6.775 8.109 -4.684 495 HB3 HIS 66 2HB HIS 66 -6.923 9.845 -4.427 496 HD1 HIS 66 1HD HIS 66 -4.268 7.459 -5.764 497 HD2 HIS 66 2HD HIS 66 -5.800 11.264 -6.427 498 HE1 HIS 66 1HE HIS 66 -3.026 8.345 -7.763 499 H ARG 67 H ARG 67 -7.053 7.435 -1.847 500 HA ARG 67 HA ARG 67 -8.366 9.623 -0.462 501 HB2 ARG 67 1HB ARG 67 -8.898 6.729 -0.877 502 HB3 ARG 67 2HB ARG 67 -9.533 7.455 0.593 503 HG2 ARG 67 1HG ARG 67 -10.893 8.948 -0.598 504 HG3 ARG 67 2HG ARG 67 -10.029 8.656 -2.109 505 HD2 ARG 67 1HD ARG 67 -11.955 7.418 -2.410 506 HD3 ARG 67 2HD ARG 67 -10.834 6.207 -1.790 507 HE ARG 67 HE ARG 67 -13.166 7.277 -0.451 508 HH11 ARG 67 2HH1 ARG 67 -10.181 5.511 -0.150 509 HH12 ARG 67 1HH1 ARG 67 -10.641 4.730 1.326 510 HH21 ARG 67 2HH2 ARG 67 -13.783 6.255 1.492 511 HH22 ARG 67 1HH2 ARG 67 -12.690 5.153 2.259 512 H VAL 68 H VAL 68 -5.547 8.955 0.106 513 HA VAL 68 HA VAL 68 -5.742 8.064 2.901 514 HB VAL 68 HB VAL 68 -3.332 8.295 1.094 515 HG11 VAL 68 1HG1 VAL 68 -3.420 7.185 3.892 516 HG12 VAL 68 2HG1 VAL 68 -2.001 7.443 2.874 517 HG13 VAL 68 3HG1 VAL 68 -2.897 8.824 3.509 518 HG21 VAL 68 1HG2 VAL 68 -4.623 5.849 2.294 519 HG22 VAL 68 2HG2 VAL 68 -4.886 6.406 0.641 520 HG23 VAL 68 3HG2 VAL 68 -3.278 5.892 1.153 521 H HIS 69 H HIS 69 -4.011 10.495 0.944 522 HA HIS 69 HA HIS 69 -3.033 12.062 2.997 523 HB2 HIS 69 1HB HIS 69 -3.926 12.783 0.210 524 HB3 HIS 69 2HB HIS 69 -3.202 13.966 1.295 525 HD1 HIS 69 1HD HIS 69 -0.682 13.598 1.925 526 HD2 HIS 69 2HD HIS 69 -2.158 11.017 -0.977 527 HE1 HIS 69 1HE HIS 69 1.343 12.544 0.870 528 H THR 70 H THR 70 -6.023 12.704 1.155 529 HA THR 70 HA THR 70 -7.995 13.677 1.755 530 HB THR 70 HB THR 70 -7.107 13.387 4.628 531 HG1 THR 70 1HG THR 70 -7.285 11.432 3.013 532 HG21 THR 70 1HG2 THR 70 -9.759 12.990 4.643 533 HG22 THR 70 2HG2 THR 70 -9.640 14.070 3.254 534 HG23 THR 70 3HG2 THR 70 -9.028 14.585 4.826 535 H GLY 71 H GLY 71 -5.624 15.259 1.250 536 HA2 GLY 71 1HA GLY 71 -5.948 17.717 1.155 537 HA3 GLY 71 2HA GLY 71 -6.281 17.637 2.879 538 H SER 72 H SER 72 -4.545 17.124 4.323 539 HA SER 72 HA SER 72 -1.868 16.820 3.483 540 HB2 SER 72 1HB SER 72 -0.946 18.977 3.791 541 HB3 SER 72 2HB SER 72 -2.385 19.240 2.807 542 HG SER 72 HG SER 72 -2.039 20.654 4.717 543 H GLY 73 H GLY 73 -0.369 16.765 5.259 544 HA2 GLY 73 1HA GLY 73 -1.170 17.292 7.936 545 HA3 GLY 73 2HA GLY 73 -1.343 15.582 7.567 546 HA PRO 74 HA PRO 74 3.369 16.666 7.168 547 HB2 PRO 74 1HB PRO 74 4.124 19.046 8.235 548 HB3 PRO 74 2HB PRO 74 3.656 18.858 6.541 549 HG2 PRO 74 1HG PRO 74 2.042 19.867 8.852 550 HG3 PRO 74 2HG PRO 74 2.147 20.501 7.199 551 HD2 PRO 74 1HD PRO 74 0.086 18.959 8.040 552 HD3 PRO 74 2HD PRO 74 0.682 18.927 6.368 553 H SER 75 H SER 75 4.183 15.329 8.649 554 HA SER 75 HA SER 75 3.484 15.567 11.441 555 HB2 SER 75 1HB SER 75 3.630 13.346 10.428 556 HB3 SER 75 2HB SER 75 5.322 13.627 10.017 557 HG SER 75 HG SER 75 4.349 12.642 12.261 558 H SER 76 H SER 76 6.540 15.547 9.605 559 HA SER 76 HA SER 76 7.638 17.593 11.320 560 HB2 SER 76 1HB SER 76 8.982 14.882 11.240 561 HB3 SER 76 2HB SER 76 9.535 16.308 12.119 562 HG SER 76 HG SER 76 8.085 14.476 13.117 563 H GLY 77 H GLY 77 9.525 18.554 10.476 564 HA2 GLY 77 1HA GLY 77 11.229 18.880 8.896 565 HA3 GLY 77 2HA GLY 77 10.601 17.524 7.972 Start of MODEL 10 1 H1 GLY 1 H GLY 1 15.019 36.547 -16.707 2 HA2 GLY 1 1HA GLY 1 13.442 34.882 -17.835 3 HA3 GLY 1 2HA GLY 1 14.718 33.722 -17.498 4 H SER 2 H SER 2 14.736 32.712 -15.579 5 HA SER 2 HA SER 2 14.138 32.082 -13.475 6 HB2 SER 2 1HB SER 2 14.734 34.621 -13.117 7 HB3 SER 2 2HB SER 2 12.994 34.786 -12.884 8 HG SER 2 HG SER 2 13.303 32.950 -11.346 9 H SER 3 H SER 3 12.365 31.563 -15.545 10 HA SER 3 HA SER 3 9.746 32.337 -15.311 11 HB2 SER 3 1HB SER 3 10.403 30.883 -17.105 12 HB3 SER 3 2HB SER 3 10.876 29.612 -15.978 13 HG SER 3 HG SER 3 8.408 30.239 -16.972 14 H GLY 4 H GLY 4 7.899 31.442 -14.259 15 HA2 GLY 4 1HA GLY 4 7.223 29.635 -12.610 16 HA3 GLY 4 2HA GLY 4 8.570 30.231 -11.651 17 H SER 5 H SER 5 6.358 30.227 -10.303 18 HA SER 5 HA SER 5 5.729 33.031 -9.973 19 HB2 SER 5 1HB SER 5 3.770 31.061 -11.044 20 HB3 SER 5 2HB SER 5 3.185 32.222 -9.853 21 HG SER 5 HG SER 5 4.738 33.379 -11.770 22 H SER 6 H SER 6 4.650 33.485 -7.963 23 HA SER 6 HA SER 6 5.035 31.335 -5.989 24 HB2 SER 6 1HB SER 6 5.434 33.062 -4.333 25 HB3 SER 6 2HB SER 6 6.483 33.349 -5.722 26 HG SER 6 HG SER 6 4.275 34.799 -4.818 27 H GLY 7 H GLY 7 3.603 31.542 -4.023 28 HA2 GLY 7 1HA GLY 7 1.302 32.875 -3.680 29 HA3 GLY 7 2HA GLY 7 0.855 31.734 -4.939 30 H ARG 8 H ARG 8 2.310 31.886 -1.701 31 HA ARG 8 HA ARG 8 1.962 29.148 -1.108 32 HB2 ARG 8 1HB ARG 8 2.155 31.501 0.782 33 HB3 ARG 8 2HB ARG 8 2.349 29.811 1.230 34 HG2 ARG 8 1HG ARG 8 4.245 29.793 -0.512 35 HG3 ARG 8 2HG ARG 8 4.168 31.551 -0.382 36 HD2 ARG 8 1HD ARG 8 4.508 31.365 2.047 37 HD3 ARG 8 2HD ARG 8 4.634 29.614 1.882 38 HE ARG 8 HE ARG 8 6.802 29.903 1.254 39 HH11 ARG 8 2HH1 ARG 8 5.079 32.866 0.646 40 HH12 ARG 8 1HH1 ARG 8 6.489 33.736 0.141 41 HH21 ARG 8 2HH2 ARG 8 8.667 31.037 0.591 42 HH22 ARG 8 1HH2 ARG 8 8.530 32.694 0.109 43 H SER 9 H SER 9 0.502 28.241 0.515 44 HA SER 9 HA SER 9 -2.091 29.625 0.649 45 HB2 SER 9 1HB SER 9 -1.641 26.702 -0.002 46 HB3 SER 9 2HB SER 9 -3.216 27.434 0.304 47 HG SER 9 HG SER 9 -3.190 28.306 -1.622 48 H GLU 10 H GLU 10 -3.369 29.170 2.471 49 HA GLU 10 HA GLU 10 -1.835 28.417 4.804 50 HB2 GLU 10 1HB GLU 10 -3.507 30.364 4.635 51 HB3 GLU 10 2HB GLU 10 -4.757 29.137 4.778 52 HG2 GLU 10 1HG GLU 10 -4.536 29.738 6.959 53 HG3 GLU 10 2HG GLU 10 -3.364 28.424 6.885 54 H TRP 11 H TRP 11 -2.347 26.752 6.244 55 HA TRP 11 HA TRP 11 -4.443 24.869 5.581 56 HB2 TRP 11 1HB TRP 11 -1.564 24.326 5.063 57 HB3 TRP 11 2HB TRP 11 -2.516 23.022 5.765 58 HD1 TRP 11 HD TRP 11 -1.739 24.655 2.509 59 HE1 TRP 11 1HE TRP 11 -3.185 23.634 0.640 60 HE3 TRP 11 3HE TRP 11 -5.056 22.037 5.387 61 HZ2 TRP 11 2HZ TRP 11 -5.434 21.942 0.415 62 HZ3 TRP 11 3HZ TRP 11 -6.824 20.743 4.267 63 HH2 TRP 11 HH TRP 11 -7.008 20.699 1.833 64 H GLN 12 H GLN 12 -4.271 22.915 7.160 65 HA GLN 12 HA GLN 12 -4.551 23.852 9.755 66 HB2 GLN 12 1HB GLN 12 -5.496 21.728 8.999 67 HB3 GLN 12 2HB GLN 12 -3.881 21.050 8.838 68 HG2 GLN 12 1HG GLN 12 -4.759 20.213 10.855 69 HG3 GLN 12 2HG GLN 12 -3.584 21.450 11.301 70 HE21 GLN 12 1HE2 GLN 12 -5.719 20.454 12.910 71 HE22 GLN 12 2HE2 GLN 12 -6.768 21.784 13.253 72 H GLN 13 H GLN 13 -1.777 22.165 8.302 73 HA GLN 13 HA GLN 13 0.335 21.781 9.124 74 HB2 GLN 13 1HB GLN 13 0.155 24.242 8.285 75 HB3 GLN 13 2HB GLN 13 0.288 24.652 9.990 76 HG2 GLN 13 1HG GLN 13 2.407 23.359 10.074 77 HG3 GLN 13 2HG GLN 13 2.286 23.137 8.329 78 HE21 GLN 13 1HE2 GLN 13 4.127 24.259 7.835 79 HE22 GLN 13 2HE2 GLN 13 4.280 25.968 8.041 80 H ARG 14 H ARG 14 -1.454 20.909 10.997 81 HA ARG 14 HA ARG 14 -0.414 21.916 13.557 82 HB2 ARG 14 1HB ARG 14 -2.806 22.036 13.473 83 HB3 ARG 14 2HB ARG 14 -2.925 20.383 12.885 84 HG2 ARG 14 1HG ARG 14 -3.446 20.035 15.064 85 HG3 ARG 14 2HG ARG 14 -1.692 19.868 15.167 86 HD2 ARG 14 1HD ARG 14 -3.143 22.465 15.634 87 HD3 ARG 14 2HD ARG 14 -2.756 21.327 16.924 88 HE ARG 14 HE ARG 14 -0.358 21.708 15.814 89 HH11 ARG 14 2HH1 ARG 14 -2.831 23.965 16.767 90 HH12 ARG 14 1HH1 ARG 14 -1.713 25.238 17.131 91 HH21 ARG 14 2HH2 ARG 14 1.124 23.375 16.289 92 HH22 ARG 14 1HH2 ARG 14 0.537 24.901 16.858 93 H GLU 15 H GLU 15 -1.301 18.868 11.937 94 HA GLU 15 HA GLU 15 -0.213 17.112 13.796 95 HB2 GLU 15 1HB GLU 15 -0.385 16.780 10.796 96 HB3 GLU 15 2HB GLU 15 -0.113 15.479 11.947 97 HG2 GLU 15 1HG GLU 15 -2.565 17.222 11.890 98 HG3 GLU 15 2HG GLU 15 -2.444 15.631 11.140 99 H ARG 16 H ARG 16 1.767 16.016 13.927 100 HA ARG 16 HA ARG 16 3.982 16.989 12.296 101 HB2 ARG 16 1HB ARG 16 3.770 17.301 15.280 102 HB3 ARG 16 2HB ARG 16 5.335 17.204 14.483 103 HG2 ARG 16 1HG ARG 16 4.928 19.191 13.252 104 HG3 ARG 16 2HG ARG 16 3.232 19.219 13.741 105 HD2 ARG 16 1HD ARG 16 4.117 20.762 15.188 106 HD3 ARG 16 2HD ARG 16 4.254 19.293 16.153 107 HE ARG 16 HE ARG 16 6.415 20.832 14.997 108 HH11 ARG 16 2HH1 ARG 16 5.419 17.818 16.427 109 HH12 ARG 16 1HH1 ARG 16 7.022 17.365 16.904 110 HH21 ARG 16 2HH2 ARG 16 8.530 20.247 15.620 111 HH22 ARG 16 1HH2 ARG 16 8.790 18.748 16.446 112 H ARG 17 H ARG 17 5.583 15.503 11.987 113 HA ARG 17 HA ARG 17 5.165 12.876 13.248 114 HB2 ARG 17 1HB ARG 17 6.485 13.539 10.609 115 HB3 ARG 17 2HB ARG 17 6.280 11.923 11.273 116 HG2 ARG 17 1HG ARG 17 4.520 12.017 9.820 117 HG3 ARG 17 2HG ARG 17 3.748 12.587 11.301 118 HD2 ARG 17 1HD ARG 17 3.761 14.810 10.592 119 HD3 ARG 17 2HD ARG 17 4.996 14.509 9.370 120 HE ARG 17 HE ARG 17 3.324 14.016 7.908 121 HH11 ARG 17 2HH1 ARG 17 2.122 13.562 11.144 122 HH12 ARG 17 1HH1 ARG 17 0.507 13.199 10.633 123 HH21 ARG 17 2HH2 ARG 17 1.201 13.539 7.223 124 HH22 ARG 17 1HH2 ARG 17 -0.015 13.185 8.402 125 H ARG 18 H ARG 18 7.328 11.537 13.108 126 HA ARG 18 HA ARG 18 9.510 13.241 14.117 127 HB2 ARG 18 1HB ARG 18 8.437 10.647 15.196 128 HB3 ARG 18 2HB ARG 18 10.080 11.169 15.544 129 HG2 ARG 18 1HG ARG 18 7.711 12.921 16.102 130 HG3 ARG 18 2HG ARG 18 8.283 11.715 17.258 131 HD2 ARG 18 1HD ARG 18 9.990 13.907 16.087 132 HD3 ARG 18 2HD ARG 18 9.183 14.000 17.652 133 HE ARG 18 HE ARG 18 10.877 11.696 17.354 134 HH11 ARG 18 2HH1 ARG 18 10.740 15.057 18.252 135 HH12 ARG 18 1HH1 ARG 18 12.147 14.980 19.259 136 HH21 ARG 18 2HH2 ARG 18 12.731 11.582 18.678 137 HH22 ARG 18 1HH2 ARG 18 13.280 13.003 19.500 138 H TYR 19 H TYR 19 8.824 9.957 12.906 139 HA TYR 19 HA TYR 19 11.513 9.835 11.770 140 HB2 TYR 19 1HB TYR 19 9.368 7.795 12.286 141 HB3 TYR 19 2HB TYR 19 10.699 7.439 11.190 142 HD1 TYR 19 2HD TYR 19 10.349 9.031 14.563 143 HD2 TYR 19 1HD TYR 19 12.359 6.166 12.142 144 HE1 TYR 19 2HE TYR 19 11.753 8.402 16.482 145 HE2 TYR 19 1HE TYR 19 13.768 5.529 14.055 146 HH TYR 19 HH TYR 19 14.359 7.194 16.538 147 H LYS 20 H LYS 20 11.895 9.358 9.576 148 HA LYS 20 HA LYS 20 9.661 9.468 7.719 149 HB2 LYS 20 1HB LYS 20 10.213 11.829 8.073 150 HB3 LYS 20 2HB LYS 20 11.894 11.507 7.668 151 HG2 LYS 20 1HG LYS 20 11.231 10.884 5.401 152 HG3 LYS 20 2HG LYS 20 9.544 11.207 5.807 153 HD2 LYS 20 1HD LYS 20 10.196 13.554 6.344 154 HD3 LYS 20 2HD LYS 20 11.816 13.191 5.743 155 HE2 LYS 20 1HE LYS 20 10.657 14.225 3.957 156 HE3 LYS 20 2HE LYS 20 10.726 12.506 3.573 157 HZ1 LYS 20 1HZ LYS 20 8.390 13.074 5.058 158 HZ2 LYS 20 2HZ LYS 20 8.528 12.430 3.500 159 HZ3 LYS 20 3HZ LYS 20 8.473 14.107 3.720 160 H CYS 21 H CYS 21 10.024 8.290 5.923 161 HA CYS 21 HA CYS 21 12.522 6.840 5.744 162 HB2 CYS 21 1HB CYS 21 10.160 5.872 5.394 163 HB3 CYS 21 2HB CYS 21 10.228 6.628 3.805 164 H ASP 22 H ASP 22 13.726 8.867 5.262 165 HA ASP 22 HA ASP 22 13.564 10.566 3.205 166 HB2 ASP 22 1HB ASP 22 16.143 9.079 3.696 167 HB3 ASP 22 2HB ASP 22 15.935 10.750 3.178 168 H GLU 23 H GLU 23 14.243 7.145 2.921 169 HA GLU 23 HA GLU 23 15.228 6.941 0.364 170 HB2 GLU 23 1HB GLU 23 13.465 5.185 2.020 171 HB3 GLU 23 2HB GLU 23 13.743 4.763 0.337 172 HG2 GLU 23 1HG GLU 23 15.297 3.589 1.751 173 HG3 GLU 23 2HG GLU 23 16.159 4.754 0.748 174 H CYS 24 H CYS 24 11.796 6.999 1.314 175 HA CYS 24 HA CYS 24 11.115 7.630 -1.480 176 HB2 CYS 24 1HB CYS 24 8.802 6.880 -0.838 177 HB3 CYS 24 2HB CYS 24 10.023 5.613 -0.790 178 H GLY 25 H GLY 25 10.206 8.404 1.877 179 HA2 GLY 25 1HA GLY 25 10.270 10.883 2.326 180 HA3 GLY 25 2HA GLY 25 9.252 11.024 0.901 181 H LYS 26 H LYS 26 8.779 8.331 3.012 182 HA LYS 26 HA LYS 26 6.152 9.380 3.724 183 HB2 LYS 26 1HB LYS 26 6.775 6.962 2.839 184 HB3 LYS 26 2HB LYS 26 7.074 6.662 4.546 185 HG2 LYS 26 1HG LYS 26 4.825 7.161 5.115 186 HG3 LYS 26 2HG LYS 26 4.490 7.789 3.499 187 HD2 LYS 26 1HD LYS 26 4.530 5.654 2.537 188 HD3 LYS 26 2HD LYS 26 5.366 4.949 3.922 189 HE2 LYS 26 1HE LYS 26 3.172 5.759 5.174 190 HE3 LYS 26 2HE LYS 26 2.489 5.596 3.557 191 HZ1 LYS 26 1HZ LYS 26 2.234 3.464 4.104 192 HZ2 LYS 26 2HZ LYS 26 3.296 3.559 5.417 193 HZ3 LYS 26 3HZ LYS 26 3.900 3.308 3.857 194 H SER 27 H SER 27 5.356 8.872 5.976 195 HA SER 27 HA SER 27 7.453 9.004 8.010 196 HB2 SER 27 1HB SER 27 6.209 10.890 9.138 197 HB3 SER 27 2HB SER 27 7.012 11.332 7.631 198 HG SER 27 HG SER 27 4.258 10.862 8.079 199 H PHE 28 H PHE 28 6.936 7.999 9.885 200 HA PHE 28 HA PHE 28 4.170 7.027 10.176 201 HB2 PHE 28 1HB PHE 28 6.683 5.520 10.927 202 HB3 PHE 28 2HB PHE 28 5.029 4.935 11.077 203 HD1 PHE 28 1HD PHE 28 7.449 6.177 8.537 204 HD2 PHE 28 2HD PHE 28 4.109 3.675 9.377 205 HE1 PHE 28 1HE PHE 28 7.578 5.246 6.263 206 HE2 PHE 28 2HE PHE 28 4.234 2.739 7.105 207 HZ PHE 28 HZ PHE 28 5.970 3.524 5.545 208 H SER 29 H SER 29 3.643 6.375 12.445 209 HA SER 29 HA SER 29 4.551 8.467 14.247 210 HB2 SER 29 1HB SER 29 2.406 6.371 14.662 211 HB3 SER 29 2HB SER 29 2.686 7.793 15.667 212 HG SER 29 HG SER 29 2.435 8.652 13.193 213 H HIS 30 H HIS 30 4.651 4.970 13.945 214 HA HIS 30 HA HIS 30 6.331 4.851 16.363 215 HB2 HIS 30 1HB HIS 30 4.067 3.499 16.082 216 HB3 HIS 30 2HB HIS 30 5.110 2.387 15.199 217 HD1 HIS 30 1HD HIS 30 6.615 0.887 16.556 218 HD2 HIS 30 2HD HIS 30 4.765 3.815 18.850 219 HE1 HIS 30 1HE HIS 30 7.110 0.280 18.945 220 H SER 31 H SER 31 8.417 4.494 16.036 221 HA SER 31 HA SER 31 9.661 4.223 13.605 222 HB2 SER 31 1HB SER 31 11.649 3.467 14.845 223 HB3 SER 31 2HB SER 31 10.853 4.806 15.672 224 HG SER 31 HG SER 31 11.043 2.116 16.396 225 H SER 32 H SER 32 8.806 1.611 15.862 226 HA SER 32 HA SER 32 9.835 -0.580 14.649 227 HB2 SER 32 1HB SER 32 8.240 -0.366 16.708 228 HB3 SER 32 2HB SER 32 6.966 -0.681 15.531 229 HG SER 32 HG SER 32 8.210 -2.588 14.946 230 H ASP 33 H ASP 33 6.689 0.869 13.815 231 HA ASP 33 HA ASP 33 6.049 -0.838 11.706 232 HB2 ASP 33 1HB ASP 33 5.295 2.018 12.299 233 HB3 ASP 33 2HB ASP 33 4.680 1.174 10.880 234 H LEU 34 H LEU 34 7.680 2.325 11.610 235 HA LEU 34 HA LEU 34 8.057 2.577 8.896 236 HB2 LEU 34 1HB LEU 34 8.680 4.405 10.193 237 HB3 LEU 34 2HB LEU 34 9.692 3.428 11.253 238 HG LEU 34 HG LEU 34 11.253 3.149 9.272 239 HD11 LEU 34 1HD1 LEU 34 9.468 3.931 7.639 240 HD12 LEU 34 2HD1 LEU 34 11.089 4.593 7.429 241 HD13 LEU 34 3HD1 LEU 34 9.833 5.565 8.194 242 HD21 LEU 34 1HD2 LEU 34 11.688 5.867 9.562 243 HD22 LEU 34 2HD2 LEU 34 12.339 4.584 10.583 244 HD23 LEU 34 3HD2 LEU 34 10.848 5.408 11.043 245 H SER 35 H SER 35 9.964 0.711 11.209 246 HA SER 35 HA SER 35 12.100 0.010 9.566 247 HB2 SER 35 1HB SER 35 10.785 -1.558 11.795 248 HB3 SER 35 2HB SER 35 12.330 -1.986 11.061 249 HG SER 35 HG SER 35 12.990 -0.745 12.670 250 H LYS 36 H LYS 36 8.926 -1.501 9.940 251 HA LYS 36 HA LYS 36 9.460 -3.704 8.225 252 HB2 LYS 36 1HB LYS 36 6.936 -2.465 9.296 253 HB3 LYS 36 2HB LYS 36 6.885 -3.799 8.151 254 HG2 LYS 36 1HG LYS 36 8.172 -5.180 9.706 255 HG3 LYS 36 2HG LYS 36 8.212 -3.841 10.856 256 HD2 LYS 36 1HD LYS 36 5.624 -4.947 9.805 257 HD3 LYS 36 2HD LYS 36 6.438 -5.657 11.202 258 HE2 LYS 36 1HE LYS 36 6.484 -3.169 12.036 259 HE3 LYS 36 2HE LYS 36 5.146 -2.984 10.904 260 HZ1 LYS 36 1HZ LYS 36 3.848 -3.766 12.504 261 HZ2 LYS 36 2HZ LYS 36 5.165 -4.186 13.479 262 HZ3 LYS 36 3HZ LYS 36 4.592 -5.274 12.317 263 H HIS 37 H HIS 37 8.240 -0.457 7.727 264 HA HIS 37 HA HIS 37 7.205 -0.778 5.137 265 HB2 HIS 37 1HB HIS 37 6.583 1.237 6.074 266 HB3 HIS 37 2HB HIS 37 8.181 1.539 6.750 267 HD1 HIS 37 1HD HIS 37 6.342 1.673 3.447 268 HD2 HIS 37 2HD HIS 37 9.794 3.146 5.230 269 HE1 HIS 37 1HE HIS 37 7.285 3.336 1.814 270 H ARG 38 H ARG 38 10.395 0.449 6.159 271 HA ARG 38 HA ARG 38 11.609 0.938 3.799 272 HB2 ARG 38 1HB ARG 38 12.576 -0.162 6.380 273 HB3 ARG 38 2HB ARG 38 13.666 -0.300 5.006 274 HG2 ARG 38 1HG ARG 38 14.293 1.705 5.960 275 HG3 ARG 38 2HG ARG 38 13.197 2.216 4.675 276 HD2 ARG 38 1HD ARG 38 12.440 3.463 6.460 277 HD3 ARG 38 2HD ARG 38 11.382 2.055 6.533 278 HE ARG 38 HE ARG 38 12.242 1.630 8.593 279 HH11 ARG 38 2HH1 ARG 38 14.592 3.455 6.787 280 HH12 ARG 38 1HH1 ARG 38 15.717 3.555 8.101 281 HH21 ARG 38 2HH2 ARG 38 13.714 1.754 10.331 282 HH22 ARG 38 1HH2 ARG 38 15.217 2.586 10.116 283 H ARG 39 H ARG 39 10.528 -2.138 4.914 284 HA ARG 39 HA ARG 39 12.156 -3.820 3.349 285 HB2 ARG 39 1HB ARG 39 9.322 -4.271 4.304 286 HB3 ARG 39 2HB ARG 39 10.409 -5.517 3.704 287 HG2 ARG 39 1HG ARG 39 11.956 -4.978 5.577 288 HG3 ARG 39 2HG ARG 39 10.726 -3.882 6.210 289 HD2 ARG 39 1HD ARG 39 10.646 -6.070 7.309 290 HD3 ARG 39 2HD ARG 39 9.161 -5.730 6.421 291 HE ARG 39 HE ARG 39 10.700 -7.135 4.661 292 HH11 ARG 39 2HH1 ARG 39 9.534 -7.689 7.894 293 HH12 ARG 39 1HH1 ARG 39 9.462 -9.411 7.713 294 HH21 ARG 39 2HH2 ARG 39 10.610 -9.400 4.410 295 HH22 ARG 39 1HH2 ARG 39 10.075 -10.383 5.731 296 H THR 40 H THR 40 8.990 -2.350 2.718 297 HA THR 40 HA THR 40 8.302 -3.510 0.340 298 HB THR 40 HB THR 40 6.989 -1.753 1.587 299 HG1 THR 40 1HG THR 40 7.328 -1.556 -1.234 300 HG21 THR 40 1HG2 THR 40 9.163 -0.090 0.494 301 HG22 THR 40 2HG2 THR 40 8.151 0.157 1.917 302 HG23 THR 40 3HG2 THR 40 7.540 0.574 0.317 303 H HIS 41 H HIS 41 10.938 -1.361 0.945 304 HA HIS 41 HA HIS 41 11.341 -0.559 -1.775 305 HB2 HIS 41 1HB HIS 41 12.988 -0.357 0.734 306 HB3 HIS 41 2HB HIS 41 13.652 0.104 -0.831 307 HD1 HIS 41 1HD HIS 41 12.708 2.243 -1.936 308 HD2 HIS 41 2HD HIS 41 11.086 1.397 1.794 309 HE1 HIS 41 1HE HIS 41 11.488 4.331 -1.244 310 H THR 42 H THR 42 13.209 -2.687 0.397 311 HA THR 42 HA THR 42 14.900 -3.710 -1.600 312 HB THR 42 HB THR 42 15.441 -5.504 -0.011 313 HG1 THR 42 1HG THR 42 13.377 -5.875 0.867 314 HG21 THR 42 1HG2 THR 42 15.147 -3.006 1.623 315 HG22 THR 42 2HG2 THR 42 16.229 -3.047 0.230 316 HG23 THR 42 3HG2 THR 42 16.483 -4.156 1.578 317 H GLY 43 H GLY 43 13.509 -4.211 -3.371 318 HA2 GLY 43 1HA GLY 43 13.029 -6.515 -4.313 319 HA3 GLY 43 2HA GLY 43 11.889 -6.649 -2.981 320 H GLU 44 H GLU 44 9.876 -5.822 -3.197 321 HA GLU 44 HA GLU 44 8.879 -5.263 -5.755 322 HB2 GLU 44 1HB GLU 44 7.692 -4.688 -3.036 323 HB3 GLU 44 2HB GLU 44 6.811 -4.540 -4.550 324 HG2 GLU 44 1HG GLU 44 8.148 -7.120 -3.926 325 HG3 GLU 44 2HG GLU 44 6.655 -6.708 -3.084 326 H LYS 45 H LYS 45 7.335 -3.148 -5.870 327 HA LYS 45 HA LYS 45 8.852 -1.036 -6.643 328 HB2 LYS 45 1HB LYS 45 6.048 -1.294 -5.701 329 HB3 LYS 45 2HB LYS 45 6.701 0.335 -5.804 330 HG2 LYS 45 1HG LYS 45 5.572 -0.173 -7.848 331 HG3 LYS 45 2HG LYS 45 7.307 -0.109 -8.166 332 HD2 LYS 45 1HD LYS 45 6.750 -2.033 -9.284 333 HD3 LYS 45 2HD LYS 45 7.157 -2.693 -7.698 334 HE2 LYS 45 1HE LYS 45 4.347 -1.857 -8.183 335 HE3 LYS 45 2HE LYS 45 4.913 -3.334 -8.962 336 HZ1 LYS 45 1HZ LYS 45 3.976 -3.917 -6.875 337 HZ2 LYS 45 2HZ LYS 45 4.875 -2.742 -6.056 338 HZ3 LYS 45 3HZ LYS 45 5.653 -4.086 -6.726 339 HA PRO 46 HA PRO 46 10.632 0.797 -3.059 340 HB2 PRO 46 1HB PRO 46 11.047 3.305 -4.013 341 HB3 PRO 46 2HB PRO 46 12.023 1.917 -4.505 342 HG2 PRO 46 1HG PRO 46 9.726 3.214 -5.919 343 HG3 PRO 46 2HG PRO 46 11.266 2.637 -6.582 344 HD2 PRO 46 1HD PRO 46 8.970 1.216 -6.782 345 HD3 PRO 46 2HD PRO 46 10.562 0.443 -6.643 346 H TYR 47 H TYR 47 7.601 1.607 -4.266 347 HA TYR 47 HA TYR 47 7.019 3.187 -1.858 348 HB2 TYR 47 1HB TYR 47 5.887 3.809 -4.591 349 HB3 TYR 47 2HB TYR 47 5.620 4.713 -3.104 350 HD1 TYR 47 2HD TYR 47 7.458 6.057 -2.129 351 HD2 TYR 47 1HD TYR 47 7.859 4.132 -5.902 352 HE1 TYR 47 2HE TYR 47 9.391 7.487 -2.646 353 HE2 TYR 47 1HE TYR 47 9.794 5.555 -6.429 354 HH TYR 47 HH TYR 47 11.522 6.856 -5.160 355 H LYS 48 H LYS 48 5.126 2.714 -0.855 356 HA LYS 48 HA LYS 48 2.929 1.422 -2.088 357 HB2 LYS 48 1HB LYS 48 4.595 -0.462 -1.989 358 HB3 LYS 48 2HB LYS 48 4.540 -0.339 -0.236 359 HG2 LYS 48 1HG LYS 48 2.102 -0.793 -0.334 360 HG3 LYS 48 2HG LYS 48 2.265 -1.058 -2.071 361 HD2 LYS 48 1HD LYS 48 2.384 -3.208 -1.183 362 HD3 LYS 48 2HD LYS 48 4.078 -2.771 -1.419 363 HE2 LYS 48 1HE LYS 48 4.351 -2.285 0.899 364 HE3 LYS 48 2HE LYS 48 2.617 -2.408 1.190 365 HZ1 LYS 48 1HZ LYS 48 2.950 -4.527 1.684 366 HZ2 LYS 48 2HZ LYS 48 4.575 -4.451 1.219 367 HZ3 LYS 48 3HZ LYS 48 3.384 -4.816 0.075 368 H CYS 49 H CYS 49 1.277 2.242 -1.001 369 HA CYS 49 HA CYS 49 1.546 3.392 1.583 370 HB2 CYS 49 1HB CYS 49 -0.066 4.176 -0.154 371 HB3 CYS 49 2HB CYS 49 -1.002 2.707 0.103 372 H ASP 50 H ASP 50 0.122 2.820 3.434 373 HA ASP 50 HA ASP 50 0.068 -0.101 3.778 374 HB2 ASP 50 1HB ASP 50 0.426 0.217 6.095 375 HB3 ASP 50 2HB ASP 50 1.518 1.347 5.299 376 H GLU 51 H GLU 51 -1.778 2.860 4.357 377 HA GLU 51 HA GLU 51 -3.994 1.836 5.638 378 HB2 GLU 51 1HB GLU 51 -3.828 4.042 3.581 379 HB3 GLU 51 2HB GLU 51 -5.262 3.709 4.541 380 HG2 GLU 51 1HG GLU 51 -4.232 4.370 6.527 381 HG3 GLU 51 2HG GLU 51 -2.617 4.257 5.831 382 H CYS 52 H CYS 52 -3.776 2.406 2.120 383 HA CYS 52 HA CYS 52 -6.050 0.706 1.629 384 HB2 CYS 52 1HB CYS 52 -5.519 1.196 -0.784 385 HB3 CYS 52 2HB CYS 52 -5.818 2.618 0.211 386 H GLY 53 H GLY 53 -2.579 0.591 0.838 387 HA2 GLY 53 1HA GLY 53 -1.319 -1.437 1.048 388 HA3 GLY 53 2HA GLY 53 -2.797 -2.342 0.753 389 H LYS 54 H LYS 54 -1.720 0.425 -1.130 390 HA LYS 54 HA LYS 54 -1.477 -1.358 -3.458 391 HB2 LYS 54 1HB LYS 54 -3.221 0.464 -3.497 392 HB3 LYS 54 2HB LYS 54 -1.906 1.631 -3.482 393 HG2 LYS 54 1HG LYS 54 -1.073 0.733 -5.590 394 HG3 LYS 54 2HG LYS 54 -2.381 -0.453 -5.604 395 HD2 LYS 54 1HD LYS 54 -2.911 2.502 -5.468 396 HD3 LYS 54 2HD LYS 54 -2.694 1.662 -7.005 397 HE2 LYS 54 1HE LYS 54 -4.521 0.099 -6.304 398 HE3 LYS 54 2HE LYS 54 -4.801 1.145 -4.913 399 HZ1 LYS 54 1HZ LYS 54 -5.736 1.441 -7.552 400 HZ2 LYS 54 2HZ LYS 54 -4.765 2.770 -7.166 401 HZ3 LYS 54 3HZ LYS 54 -6.093 2.382 -6.193 402 H ALA 55 H ALA 55 0.228 -1.034 -4.951 403 HA ALA 55 HA ALA 55 2.630 0.106 -3.714 404 HB1 ALA 55 1HB ALA 55 2.187 -1.992 -5.804 405 HB2 ALA 55 2HB ALA 55 3.751 -1.191 -5.644 406 HB3 ALA 55 3HB ALA 55 3.081 -2.098 -4.288 407 H PHE 56 H PHE 56 4.234 1.072 -5.289 408 HA PHE 56 HA PHE 56 3.129 2.329 -7.640 409 HB2 PHE 56 1HB PHE 56 4.026 4.049 -5.318 410 HB3 PHE 56 2HB PHE 56 3.509 4.626 -6.899 411 HD1 PHE 56 2HD PHE 56 2.404 3.085 -3.754 412 HD2 PHE 56 1HD PHE 56 1.199 4.771 -7.472 413 HE1 PHE 56 2HE PHE 56 0.081 3.193 -2.949 414 HE2 PHE 56 1HE PHE 56 -1.125 4.883 -6.672 415 HZ PHE 56 HZ PHE 56 -1.687 4.092 -4.408 416 H ILE 57 H ILE 57 4.677 2.780 -9.110 417 HA ILE 57 HA ILE 57 7.364 1.933 -8.544 418 HB ILE 57 HB ILE 57 6.121 3.098 -11.035 419 HG12 ILE 57 1HG1 ILE 57 6.847 0.592 -11.687 420 HG13 ILE 57 2HG1 ILE 57 6.567 0.364 -9.964 421 HG21 ILE 57 1HG2 ILE 57 8.519 3.636 -10.893 422 HG22 ILE 57 2HG2 ILE 57 8.875 1.920 -10.702 423 HG23 ILE 57 3HG2 ILE 57 8.160 2.510 -12.202 424 HD11 ILE 57 1HD1 ILE 57 4.303 1.340 -10.275 425 HD12 ILE 57 2HD1 ILE 57 4.603 1.350 -12.013 426 HD13 ILE 57 3HD1 ILE 57 4.567 -0.178 -11.133 427 H GLN 58 H GLN 58 5.807 5.008 -9.397 428 HA GLN 58 HA GLN 58 8.312 6.410 -8.802 429 HB2 GLN 58 1HB GLN 58 5.812 7.224 -10.270 430 HB3 GLN 58 2HB GLN 58 7.023 8.398 -9.773 431 HG2 GLN 58 1HG GLN 58 7.374 6.104 -11.683 432 HG3 GLN 58 2HG GLN 58 7.426 7.829 -12.047 433 HE21 GLN 58 1HE2 GLN 58 9.294 5.213 -11.730 434 HE22 GLN 58 2HE2 GLN 58 10.775 5.941 -11.221 435 H ARG 59 H ARG 59 8.200 8.406 -7.538 436 HA ARG 59 HA ARG 59 6.739 7.995 -5.114 437 HB2 ARG 59 1HB ARG 59 9.067 9.015 -5.351 438 HB3 ARG 59 2HB ARG 59 8.256 10.487 -5.870 439 HG2 ARG 59 1HG ARG 59 6.961 10.363 -3.689 440 HG3 ARG 59 2HG ARG 59 8.133 9.139 -3.194 441 HD2 ARG 59 1HD ARG 59 9.948 10.703 -3.469 442 HD3 ARG 59 2HD ARG 59 8.849 11.916 -4.124 443 HE ARG 59 HE ARG 59 8.209 11.002 -1.459 444 HH11 ARG 59 2HH1 ARG 59 9.920 13.332 -3.399 445 HH12 ARG 59 1HH1 ARG 59 9.999 14.518 -2.139 446 HH21 ARG 59 2HH2 ARG 59 8.308 12.555 0.209 447 HH22 ARG 59 1HH2 ARG 59 9.083 14.074 -0.086 448 H SER 60 H SER 60 6.755 10.656 -7.492 449 HA SER 60 HA SER 60 4.822 12.284 -6.573 450 HB2 SER 60 1HB SER 60 5.149 11.345 -9.432 451 HB3 SER 60 2HB SER 60 4.188 12.743 -8.949 452 HG SER 60 HG SER 60 6.618 12.884 -9.578 453 H HIS 61 H HIS 61 4.202 9.301 -8.404 454 HA HIS 61 HA HIS 61 1.470 9.372 -8.599 455 HB2 HIS 61 1HB HIS 61 3.123 6.925 -7.940 456 HB3 HIS 61 2HB HIS 61 1.516 6.929 -8.662 457 HD1 HIS 61 1HD HIS 61 2.988 5.496 -10.506 458 HD2 HIS 61 2HD HIS 61 3.568 9.607 -10.345 459 HE1 HIS 61 1HE HIS 61 4.057 6.110 -12.697 460 H LEU 62 H LEU 62 3.398 8.335 -5.816 461 HA LEU 62 HA LEU 62 1.095 7.672 -4.236 462 HB2 LEU 62 1HB LEU 62 3.016 6.453 -3.706 463 HB3 LEU 62 2HB LEU 62 4.034 7.891 -3.694 464 HG LEU 62 HG LEU 62 2.618 8.563 -1.622 465 HD11 LEU 62 1HD1 LEU 62 2.372 5.645 -1.159 466 HD12 LEU 62 2HD1 LEU 62 1.156 6.421 -2.173 467 HD13 LEU 62 3HD1 LEU 62 1.415 6.981 -0.521 468 HD21 LEU 62 1HD2 LEU 62 5.057 7.281 -1.992 469 HD22 LEU 62 2HD2 LEU 62 4.252 6.355 -0.725 470 HD23 LEU 62 3HD2 LEU 62 4.496 8.091 -0.529 471 H ILE 63 H ILE 63 3.221 10.442 -4.595 472 HA ILE 63 HA ILE 63 2.728 11.941 -2.379 473 HB ILE 63 HB ILE 63 2.755 12.985 -5.214 474 HG12 ILE 63 1HG1 ILE 63 4.746 11.661 -4.677 475 HG13 ILE 63 2HG1 ILE 63 5.151 13.368 -4.812 476 HG21 ILE 63 1HG2 ILE 63 1.877 14.639 -3.679 477 HG22 ILE 63 2HG2 ILE 63 3.243 14.390 -2.592 478 HG23 ILE 63 3HG2 ILE 63 3.503 15.095 -4.187 479 HD11 ILE 63 1HD1 ILE 63 4.782 11.817 -2.262 480 HD12 ILE 63 2HD1 ILE 63 6.308 12.380 -2.946 481 HD13 ILE 63 3HD1 ILE 63 5.118 13.545 -2.364 482 H GLY 64 H GLY 64 0.744 12.148 -5.346 483 HA2 GLY 64 1HA GLY 64 -1.287 13.713 -4.159 484 HA3 GLY 64 2HA GLY 64 -1.435 12.804 -5.656 485 H HIS 65 H HIS 65 -0.946 10.222 -4.588 486 HA HIS 65 HA HIS 65 -3.493 9.391 -3.918 487 HB2 HIS 65 1HB HIS 65 -2.048 7.702 -4.646 488 HB3 HIS 65 2HB HIS 65 -0.784 8.160 -3.508 489 HD1 HIS 65 1HD HIS 65 -3.899 6.137 -3.799 490 HD2 HIS 65 2HD HIS 65 -1.078 7.117 -0.912 491 HE1 HIS 65 1HE HIS 65 -4.312 4.552 -1.891 492 H HIS 66 H HIS 66 -0.832 10.312 -1.788 493 HA HIS 66 HA HIS 66 -1.723 9.514 0.664 494 HB2 HIS 66 1HB HIS 66 -0.160 11.859 -0.285 495 HB3 HIS 66 2HB HIS 66 -0.761 11.911 1.370 496 HD1 HIS 66 1HD HIS 66 0.880 9.137 -0.669 497 HD2 HIS 66 2HD HIS 66 1.246 11.101 2.973 498 HE1 HIS 66 1HE HIS 66 2.794 8.012 0.511 499 H ARG 67 H ARG 67 -3.079 11.971 -1.374 500 HA ARG 67 HA ARG 67 -4.767 13.029 0.743 501 HB2 ARG 67 1HB ARG 67 -4.178 13.770 -2.083 502 HB3 ARG 67 2HB ARG 67 -5.722 14.271 -1.405 503 HG2 ARG 67 1HG ARG 67 -4.392 15.271 0.509 504 HG3 ARG 67 2HG ARG 67 -2.962 15.013 -0.491 505 HD2 ARG 67 1HD ARG 67 -3.883 17.295 -0.699 506 HD3 ARG 67 2HD ARG 67 -3.867 16.418 -2.228 507 HE ARG 67 HE ARG 67 -6.204 17.219 -0.694 508 HH11 ARG 67 2HH1 ARG 67 -4.899 15.388 -3.352 509 HH12 ARG 67 1HH1 ARG 67 -6.418 15.254 -4.176 510 HH21 ARG 67 2HH2 ARG 67 -8.209 17.050 -1.768 511 HH22 ARG 67 1HH2 ARG 67 -8.300 16.200 -3.274 512 H VAL 68 H VAL 68 -5.024 10.228 -0.086 513 HA VAL 68 HA VAL 68 -7.706 10.224 -1.287 514 HB VAL 68 HB VAL 68 -5.984 8.780 -2.345 515 HG11 VAL 68 1HG1 VAL 68 -6.122 6.768 -0.208 516 HG12 VAL 68 2HG1 VAL 68 -4.771 7.241 -1.240 517 HG13 VAL 68 3HG1 VAL 68 -5.179 8.207 0.178 518 HG21 VAL 68 1HG2 VAL 68 -7.701 6.666 -1.442 519 HG22 VAL 68 2HG2 VAL 68 -8.631 8.149 -1.657 520 HG23 VAL 68 3HG2 VAL 68 -7.682 7.502 -2.995 521 H HIS 69 H HIS 69 -6.014 9.729 1.654 522 HA HIS 69 HA HIS 69 -8.339 8.394 2.860 523 HB2 HIS 69 1HB HIS 69 -5.601 8.744 4.087 524 HB3 HIS 69 2HB HIS 69 -6.892 7.679 4.634 525 HD1 HIS 69 1HD HIS 69 -7.371 5.557 3.122 526 HD2 HIS 69 2HD HIS 69 -3.932 7.686 2.173 527 HE1 HIS 69 1HE HIS 69 -6.015 4.027 1.659 528 H THR 70 H THR 70 -5.916 10.861 3.746 529 HA THR 70 HA THR 70 -8.061 12.530 4.819 530 HB THR 70 HB THR 70 -5.639 11.719 6.439 531 HG1 THR 70 1HG THR 70 -8.303 11.417 7.286 532 HG21 THR 70 1HG2 THR 70 -7.704 13.857 6.810 533 HG22 THR 70 2HG2 THR 70 -5.958 13.937 7.045 534 HG23 THR 70 3HG2 THR 70 -6.967 13.082 8.212 535 H GLY 71 H GLY 71 -7.773 14.625 4.352 536 HA2 GLY 71 1HA GLY 71 -5.065 15.484 3.537 537 HA3 GLY 71 2HA GLY 71 -6.513 15.986 2.677 538 H SER 72 H SER 72 -4.873 16.170 5.809 539 HA SER 72 HA SER 72 -6.352 18.653 6.365 540 HB2 SER 72 1HB SER 72 -5.138 16.559 8.134 541 HB3 SER 72 2HB SER 72 -5.328 18.204 8.741 542 HG SER 72 HG SER 72 -7.329 16.413 7.854 543 H GLY 73 H GLY 73 -3.115 17.195 6.530 544 HA2 GLY 73 1HA GLY 73 -1.976 19.912 6.644 545 HA3 GLY 73 2HA GLY 73 -1.156 18.454 7.181 546 HA PRO 74 HA PRO 74 -0.263 19.625 2.619 547 HB2 PRO 74 1HB PRO 74 2.054 21.003 2.939 548 HB3 PRO 74 2HB PRO 74 0.468 21.784 2.907 549 HG2 PRO 74 1HG PRO 74 2.164 21.035 5.257 550 HG3 PRO 74 2HG PRO 74 1.242 22.523 4.971 551 HD2 PRO 74 1HD PRO 74 0.338 20.534 6.570 552 HD3 PRO 74 2HD PRO 74 -0.751 21.562 5.616 553 H SER 75 H SER 75 0.922 17.899 5.155 554 HA SER 75 HA SER 75 2.200 16.006 5.239 555 HB2 SER 75 1HB SER 75 1.446 15.864 2.741 556 HB3 SER 75 2HB SER 75 3.095 16.386 2.398 557 HG SER 75 HG SER 75 2.168 13.961 3.272 558 H SER 76 H SER 76 3.220 18.347 6.182 559 HA SER 76 HA SER 76 5.130 19.577 6.557 560 HB2 SER 76 1HB SER 76 6.965 18.196 7.331 561 HB3 SER 76 2HB SER 76 5.445 17.439 7.809 562 HG SER 76 HG SER 76 5.928 15.780 6.618 563 H GLY 77 H GLY 77 4.540 19.693 3.864 564 HA2 GLY 77 1HA GLY 77 6.386 20.864 2.508 565 HA3 GLY 77 2HA GLY 77 7.128 19.271 2.521 Start of MODEL 11 1 H1 GLY 1 H GLY 1 6.586 31.060 -14.055 2 HA2 GLY 1 1HA GLY 1 5.073 29.243 -14.261 3 HA3 GLY 1 2HA GLY 1 6.211 28.231 -13.385 4 H SER 2 H SER 2 3.896 27.817 -12.446 5 HA SER 2 HA SER 2 3.474 29.656 -10.183 6 HB2 SER 2 1HB SER 2 1.546 27.790 -11.581 7 HB3 SER 2 2HB SER 2 1.171 28.642 -10.083 8 HG SER 2 HG SER 2 1.930 29.880 -12.522 9 H SER 3 H SER 3 3.434 26.221 -11.093 10 HA SER 3 HA SER 3 3.915 24.330 -9.923 11 HB2 SER 3 1HB SER 3 6.019 25.523 -9.395 12 HB3 SER 3 2HB SER 3 5.250 26.221 -7.970 13 HG SER 3 HG SER 3 6.473 24.345 -7.473 14 H GLY 4 H GLY 4 1.389 25.439 -9.557 15 HA2 GLY 4 1HA GLY 4 -0.425 24.809 -8.238 16 HA3 GLY 4 2HA GLY 4 0.697 24.260 -7.002 17 H SER 5 H SER 5 -0.464 27.260 -8.526 18 HA SER 5 HA SER 5 0.018 28.680 -6.012 19 HB2 SER 5 1HB SER 5 0.793 29.597 -8.262 20 HB3 SER 5 2HB SER 5 -0.908 29.892 -8.619 21 HG SER 5 HG SER 5 0.794 31.314 -7.065 22 H SER 6 H SER 6 -2.574 28.266 -8.420 23 HA SER 6 HA SER 6 -4.522 29.093 -6.385 24 HB2 SER 6 1HB SER 6 -4.717 28.908 -9.397 25 HB3 SER 6 2HB SER 6 -6.098 29.248 -8.354 26 HG SER 6 HG SER 6 -3.772 30.805 -8.757 27 H GLY 7 H GLY 7 -5.106 27.360 -5.211 28 HA2 GLY 7 1HA GLY 7 -6.787 25.389 -6.274 29 HA3 GLY 7 2HA GLY 7 -5.175 24.702 -6.143 30 H ARG 8 H ARG 8 -5.464 23.278 -4.507 31 HA ARG 8 HA ARG 8 -5.912 24.417 -1.860 32 HB2 ARG 8 1HB ARG 8 -7.442 22.486 -1.298 33 HB3 ARG 8 2HB ARG 8 -8.123 23.710 -2.360 34 HG2 ARG 8 1HG ARG 8 -8.796 21.838 -3.456 35 HG3 ARG 8 2HG ARG 8 -7.230 22.080 -4.233 36 HD2 ARG 8 1HD ARG 8 -7.243 19.812 -3.683 37 HD3 ARG 8 2HD ARG 8 -6.299 20.559 -2.394 38 HE ARG 8 HE ARG 8 -8.988 20.441 -1.602 39 HH11 ARG 8 2HH1 ARG 8 -6.286 18.335 -2.219 40 HH12 ARG 8 1HH1 ARG 8 -6.810 17.121 -1.100 41 HH21 ARG 8 2HH2 ARG 8 -9.689 18.850 -0.126 42 HH22 ARG 8 1HH2 ARG 8 -8.746 17.414 0.089 43 H SER 9 H SER 9 -5.062 23.157 -0.151 44 HA SER 9 HA SER 9 -3.806 20.637 -0.597 45 HB2 SER 9 1HB SER 9 -2.231 22.294 -1.729 46 HB3 SER 9 2HB SER 9 -1.896 22.926 -0.117 47 HG SER 9 HG SER 9 -1.227 20.454 -1.243 48 H GLU 10 H GLU 10 -2.518 19.948 1.341 49 HA GLU 10 HA GLU 10 -3.937 20.765 3.726 50 HB2 GLU 10 1HB GLU 10 -1.742 18.707 3.443 51 HB3 GLU 10 2HB GLU 10 -2.846 18.888 4.799 52 HG2 GLU 10 1HG GLU 10 -3.754 18.239 2.010 53 HG3 GLU 10 2HG GLU 10 -3.362 17.015 3.217 54 H TRP 11 H TRP 11 -2.792 21.231 5.747 55 HA TRP 11 HA TRP 11 -0.548 23.038 5.241 56 HB2 TRP 11 1HB TRP 11 -2.750 23.578 6.592 57 HB3 TRP 11 2HB TRP 11 -1.873 22.807 7.911 58 HD1 TRP 11 HD TRP 11 -2.278 26.076 6.223 59 HE1 TRP 11 1HE TRP 11 -0.522 27.753 7.076 60 HE3 TRP 11 3HE TRP 11 0.812 22.833 8.687 61 HZ2 TRP 11 2HZ TRP 11 1.859 27.707 8.592 62 HZ3 TRP 11 3HZ TRP 11 2.807 23.730 9.812 63 HH2 TRP 11 HH TRP 11 3.319 26.117 9.764 64 H GLN 12 H GLN 12 -1.474 20.389 7.420 65 HA GLN 12 HA GLN 12 1.386 19.829 7.806 66 HB2 GLN 12 1HB GLN 12 0.036 20.948 9.784 67 HB3 GLN 12 2HB GLN 12 -0.523 19.301 10.039 68 HG2 GLN 12 1HG GLN 12 1.819 18.560 10.207 69 HG3 GLN 12 2HG GLN 12 2.337 20.237 10.035 70 HE21 GLN 12 1HE2 GLN 12 -0.171 18.572 11.919 71 HE22 GLN 12 2HE2 GLN 12 0.286 19.247 13.442 72 H GLN 13 H GLN 13 1.890 17.617 8.304 73 HA GLN 13 HA GLN 13 -0.225 15.730 7.498 74 HB2 GLN 13 1HB GLN 13 2.673 15.842 6.703 75 HB3 GLN 13 2HB GLN 13 1.763 14.339 6.617 76 HG2 GLN 13 1HG GLN 13 1.312 16.878 5.088 77 HG3 GLN 13 2HG GLN 13 1.679 15.271 4.466 78 HE21 GLN 13 1HE2 GLN 13 0.013 13.582 5.047 79 HE22 GLN 13 2HE2 GLN 13 -1.644 14.052 4.910 80 H ARG 14 H ARG 14 2.724 16.206 9.387 81 HA ARG 14 HA ARG 14 1.909 13.937 11.083 82 HB2 ARG 14 1HB ARG 14 4.372 13.798 11.681 83 HB3 ARG 14 2HB ARG 14 3.940 13.292 10.053 84 HG2 ARG 14 1HG ARG 14 4.820 15.252 9.096 85 HG3 ARG 14 2HG ARG 14 4.924 16.061 10.662 86 HD2 ARG 14 1HD ARG 14 6.515 14.072 11.250 87 HD3 ARG 14 2HD ARG 14 6.669 13.934 9.499 88 HE ARG 14 HE ARG 14 7.090 16.597 10.504 89 HH11 ARG 14 2HH1 ARG 14 8.569 13.524 9.804 90 HH12 ARG 14 1HH1 ARG 14 10.164 14.182 9.640 91 HH21 ARG 14 2HH2 ARG 14 9.184 17.475 10.290 92 HH22 ARG 14 1HH2 ARG 14 10.513 16.429 9.917 93 H GLU 15 H GLU 15 1.471 14.392 13.141 94 HA GLU 15 HA GLU 15 1.774 17.101 14.091 95 HB2 GLU 15 1HB GLU 15 0.365 14.650 15.015 96 HB3 GLU 15 2HB GLU 15 0.787 15.846 16.233 97 HG2 GLU 15 1HG GLU 15 -0.470 17.539 15.090 98 HG3 GLU 15 2HG GLU 15 -0.779 16.452 13.737 99 H ARG 16 H ARG 16 2.431 14.084 15.848 100 HA ARG 16 HA ARG 16 5.117 15.059 16.489 101 HB2 ARG 16 1HB ARG 16 3.061 14.195 18.530 102 HB3 ARG 16 2HB ARG 16 4.767 14.443 18.880 103 HG2 ARG 16 1HG ARG 16 2.880 16.557 17.861 104 HG3 ARG 16 2HG ARG 16 3.381 16.354 19.541 105 HD2 ARG 16 1HD ARG 16 5.718 16.717 18.865 106 HD3 ARG 16 2HD ARG 16 5.187 16.962 17.202 107 HE ARG 16 HE ARG 16 4.600 19.094 17.760 108 HH11 ARG 16 2HH1 ARG 16 4.837 17.203 20.674 109 HH12 ARG 16 1HH1 ARG 16 4.597 18.557 21.728 110 HH21 ARG 16 2HH2 ARG 16 4.283 20.885 19.137 111 HH22 ARG 16 1HH2 ARG 16 4.282 20.651 20.852 112 H ARG 17 H ARG 17 6.504 13.508 15.989 113 HA ARG 17 HA ARG 17 5.763 10.715 16.535 114 HB2 ARG 17 1HB ARG 17 7.479 11.313 14.171 115 HB3 ARG 17 2HB ARG 17 6.380 9.968 14.447 116 HG2 ARG 17 1HG ARG 17 4.519 11.744 14.264 117 HG3 ARG 17 2HG ARG 17 5.768 12.740 13.513 118 HD2 ARG 17 1HD ARG 17 4.729 11.681 11.710 119 HD3 ARG 17 2HD ARG 17 6.185 10.726 11.986 120 HE ARG 17 HE ARG 17 4.419 9.366 13.429 121 HH11 ARG 17 2HH1 ARG 17 4.158 10.699 10.223 122 HH12 ARG 17 1HH1 ARG 17 3.052 9.486 9.668 123 HH21 ARG 17 2HH2 ARG 17 2.963 7.764 12.710 124 HH22 ARG 17 1HH2 ARG 17 2.372 7.818 11.084 125 H ARG 18 H ARG 18 7.865 9.304 16.217 126 HA ARG 18 HA ARG 18 10.158 10.716 17.396 127 HB2 ARG 18 1HB ARG 18 8.770 8.256 18.413 128 HB3 ARG 18 2HB ARG 18 10.479 8.514 18.739 129 HG2 ARG 18 1HG ARG 18 8.376 10.548 19.416 130 HG3 ARG 18 2HG ARG 18 8.863 9.264 20.525 131 HD2 ARG 18 1HD ARG 18 11.090 10.084 20.628 132 HD3 ARG 18 2HD ARG 18 10.813 11.190 19.283 133 HE ARG 18 HE ARG 18 9.905 12.690 20.753 134 HH11 ARG 18 2HH1 ARG 18 10.056 9.559 22.268 135 HH12 ARG 18 1HH1 ARG 18 9.589 10.147 23.829 136 HH21 ARG 18 2HH2 ARG 18 9.289 13.477 22.803 137 HH22 ARG 18 1HH2 ARG 18 9.152 12.376 24.132 138 H TYR 19 H TYR 19 9.212 7.477 16.230 139 HA TYR 19 HA TYR 19 11.799 6.794 15.326 140 HB2 TYR 19 1HB TYR 19 9.058 5.686 14.757 141 HB3 TYR 19 2HB TYR 19 10.495 5.031 13.981 142 HD1 TYR 19 2HD TYR 19 9.781 6.154 17.476 143 HD2 TYR 19 1HD TYR 19 11.021 2.989 14.917 144 HE1 TYR 19 2HE TYR 19 10.185 4.731 19.441 145 HE2 TYR 19 1HE TYR 19 11.428 1.557 16.875 146 HH TYR 19 HH TYR 19 11.918 2.463 19.746 147 H LYS 20 H LYS 20 12.790 6.998 13.384 148 HA LYS 20 HA LYS 20 11.300 8.070 11.113 149 HB2 LYS 20 1HB LYS 20 12.071 10.101 12.046 150 HB3 LYS 20 2HB LYS 20 13.644 9.418 12.438 151 HG2 LYS 20 1HG LYS 20 14.064 9.213 9.976 152 HG3 LYS 20 2HG LYS 20 12.580 10.133 9.718 153 HD2 LYS 20 1HD LYS 20 13.616 11.886 11.271 154 HD3 LYS 20 2HD LYS 20 15.135 11.020 11.028 155 HE2 LYS 20 1HE LYS 20 14.790 11.294 8.562 156 HE3 LYS 20 2HE LYS 20 13.418 12.338 8.930 157 HZ1 LYS 20 1HZ LYS 20 14.757 14.003 9.648 158 HZ2 LYS 20 2HZ LYS 20 15.830 13.291 8.552 159 HZ3 LYS 20 3HZ LYS 20 15.971 12.965 10.206 160 H CYS 21 H CYS 21 11.895 7.142 9.257 161 HA CYS 21 HA CYS 21 13.945 5.142 9.259 162 HB2 CYS 21 1HB CYS 21 11.829 4.903 7.985 163 HB3 CYS 21 2HB CYS 21 12.334 6.226 6.939 164 H ASP 22 H ASP 22 15.877 5.112 8.131 165 HA ASP 22 HA ASP 22 16.967 7.755 7.511 166 HB2 ASP 22 1HB ASP 22 18.123 5.139 8.335 167 HB3 ASP 22 2HB ASP 22 19.120 6.185 7.329 168 H GLU 23 H GLU 23 16.154 4.713 6.024 169 HA GLU 23 HA GLU 23 17.630 4.841 3.676 170 HB2 GLU 23 1HB GLU 23 14.946 3.666 4.334 171 HB3 GLU 23 2HB GLU 23 15.573 3.599 2.694 172 HG2 GLU 23 1HG GLU 23 16.861 2.440 5.153 173 HG3 GLU 23 2HG GLU 23 16.064 1.548 3.859 174 H CYS 24 H CYS 24 14.472 6.269 4.422 175 HA CYS 24 HA CYS 24 14.732 7.909 1.986 176 HB2 CYS 24 1HB CYS 24 12.190 8.079 2.138 177 HB3 CYS 24 2HB CYS 24 12.847 6.525 1.635 178 H GLY 25 H GLY 25 13.248 7.879 5.231 179 HA2 GLY 25 1HA GLY 25 14.105 9.783 6.663 180 HA3 GLY 25 2HA GLY 25 13.632 10.805 5.314 181 H LYS 26 H LYS 26 11.608 8.115 5.927 182 HA LYS 26 HA LYS 26 9.380 9.797 6.511 183 HB2 LYS 26 1HB LYS 26 9.532 7.414 5.365 184 HB3 LYS 26 2HB LYS 26 9.287 6.855 7.014 185 HG2 LYS 26 1HG LYS 26 7.147 7.631 7.110 186 HG3 LYS 26 2HG LYS 26 7.451 8.938 5.963 187 HD2 LYS 26 1HD LYS 26 7.766 7.002 4.252 188 HD3 LYS 26 2HD LYS 26 6.874 6.048 5.439 189 HE2 LYS 26 1HE LYS 26 5.277 6.895 3.904 190 HE3 LYS 26 2HE LYS 26 5.105 7.837 5.384 191 HZ1 LYS 26 1HZ LYS 26 6.469 9.576 4.356 192 HZ2 LYS 26 2HZ LYS 26 5.054 9.281 3.477 193 HZ3 LYS 26 3HZ LYS 26 6.535 8.681 2.922 194 H SER 27 H SER 27 7.948 9.443 8.408 195 HA SER 27 HA SER 27 9.429 8.733 10.844 196 HB2 SER 27 1HB SER 27 8.285 10.726 11.952 197 HB3 SER 27 2HB SER 27 9.594 11.105 10.832 198 HG SER 27 HG SER 27 7.122 11.985 10.751 199 H PHE 28 H PHE 28 8.200 7.893 12.516 200 HA PHE 28 HA PHE 28 5.315 7.645 12.127 201 HB2 PHE 28 1HB PHE 28 6.990 5.215 12.749 202 HB3 PHE 28 2HB PHE 28 5.282 5.274 12.326 203 HD1 PHE 28 1HD PHE 28 8.669 5.960 10.966 204 HD2 PHE 28 2HD PHE 28 4.610 4.996 10.122 205 HE1 PHE 28 1HE PHE 28 9.249 5.604 8.601 206 HE2 PHE 28 2HE PHE 28 5.183 4.637 7.757 207 HZ PHE 28 HZ PHE 28 7.505 4.940 6.994 208 H SER 29 H SER 29 4.267 6.623 14.079 209 HA SER 29 HA SER 29 5.493 7.769 16.471 210 HB2 SER 29 1HB SER 29 2.691 6.714 16.015 211 HB3 SER 29 2HB SER 29 3.259 7.506 17.485 212 HG SER 29 HG SER 29 3.629 8.858 15.078 213 H HIS 30 H HIS 30 4.106 4.717 15.321 214 HA HIS 30 HA HIS 30 5.144 3.360 17.702 215 HB2 HIS 30 1HB HIS 30 2.724 3.097 16.651 216 HB3 HIS 30 2HB HIS 30 3.550 1.929 15.623 217 HD1 HIS 30 1HD HIS 30 3.986 -0.339 16.597 218 HD2 HIS 30 2HD HIS 30 2.836 2.434 19.470 219 HE1 HIS 30 1HE HIS 30 3.643 -1.661 18.708 220 H SER 31 H SER 31 6.442 1.485 17.525 221 HA SER 31 HA SER 31 8.393 1.635 15.444 222 HB2 SER 31 1HB SER 31 9.507 -0.179 16.609 223 HB3 SER 31 2HB SER 31 8.926 0.990 17.794 224 HG SER 31 HG SER 31 7.031 -0.444 17.957 225 H SER 32 H SER 32 5.938 -0.770 16.352 226 HA SER 32 HA SER 32 6.418 -2.737 14.515 227 HB2 SER 32 1HB SER 32 4.615 -2.701 16.295 228 HB3 SER 32 2HB SER 32 3.634 -1.760 15.172 229 HG SER 32 HG SER 32 3.636 -3.481 13.756 230 H ASP 33 H ASP 33 4.670 0.292 13.996 231 HA ASP 33 HA ASP 33 3.789 -0.212 11.383 232 HB2 ASP 33 1HB ASP 33 4.446 2.379 12.790 233 HB3 ASP 33 2HB ASP 33 3.709 2.304 11.192 234 H LEU 34 H LEU 34 6.575 1.777 12.396 235 HA LEU 34 HA LEU 34 7.699 2.321 9.980 236 HB2 LEU 34 1HB LEU 34 8.669 3.244 11.926 237 HB3 LEU 34 2HB LEU 34 9.004 1.651 12.602 238 HG LEU 34 HG LEU 34 10.691 1.317 10.794 239 HD11 LEU 34 1HD1 LEU 34 11.439 3.716 9.915 240 HD12 LEU 34 2HD1 LEU 34 9.706 4.007 10.051 241 HD13 LEU 34 3HD1 LEU 34 10.301 2.694 9.036 242 HD21 LEU 34 1HD2 LEU 34 11.781 1.856 12.709 243 HD22 LEU 34 2HD2 LEU 34 10.865 3.345 12.945 244 HD23 LEU 34 3HD2 LEU 34 12.184 3.296 11.773 245 H SER 35 H SER 35 8.415 -0.572 11.936 246 HA SER 35 HA SER 35 10.194 -1.863 10.327 247 HB2 SER 35 1HB SER 35 9.543 -2.795 12.462 248 HB3 SER 35 2HB SER 35 7.900 -3.074 11.886 249 HG SER 35 HG SER 35 9.606 -4.252 10.212 250 H LYS 36 H LYS 36 6.695 -1.703 9.918 251 HA LYS 36 HA LYS 36 6.610 -3.509 7.708 252 HB2 LYS 36 1HB LYS 36 4.658 -1.527 8.857 253 HB3 LYS 36 2HB LYS 36 4.303 -2.416 7.381 254 HG2 LYS 36 1HG LYS 36 4.157 -4.440 8.475 255 HG3 LYS 36 2HG LYS 36 5.133 -3.891 9.840 256 HD2 LYS 36 1HD LYS 36 3.164 -2.240 10.241 257 HD3 LYS 36 2HD LYS 36 2.248 -3.367 9.237 258 HE2 LYS 36 1HE LYS 36 3.856 -4.308 11.590 259 HE3 LYS 36 2HE LYS 36 2.212 -3.701 11.784 260 HZ1 LYS 36 1HZ LYS 36 3.127 -6.095 10.318 261 HZ2 LYS 36 2HZ LYS 36 1.625 -5.391 9.987 262 HZ3 LYS 36 3HZ LYS 36 1.958 -5.983 11.536 263 H HIS 37 H HIS 37 6.779 -0.002 8.054 264 HA HIS 37 HA HIS 37 6.322 0.764 5.426 265 HB2 HIS 37 1HB HIS 37 6.458 2.592 6.806 266 HB3 HIS 37 2HB HIS 37 7.810 1.935 7.723 267 HD1 HIS 37 1HD HIS 37 7.079 3.644 4.431 268 HD2 HIS 37 2HD HIS 37 10.279 2.838 6.955 269 HE1 HIS 37 1HE HIS 37 9.016 4.948 3.498 270 H ARG 38 H ARG 38 9.506 0.243 6.957 271 HA ARG 38 HA ARG 38 11.234 0.598 4.955 272 HB2 ARG 38 1HB ARG 38 11.104 -1.436 7.115 273 HB3 ARG 38 2HB ARG 38 12.288 -1.703 5.843 274 HG2 ARG 38 1HG ARG 38 13.565 -0.497 7.272 275 HG3 ARG 38 2HG ARG 38 12.856 0.834 6.355 276 HD2 ARG 38 1HD ARG 38 12.421 1.581 8.460 277 HD3 ARG 38 2HD ARG 38 10.974 0.606 8.208 278 HE ARG 38 HE ARG 38 11.722 -0.869 9.801 279 HH11 ARG 38 2HH1 ARG 38 14.305 1.287 8.904 280 HH12 ARG 38 1HH1 ARG 38 15.358 0.765 10.177 281 HH21 ARG 38 2HH2 ARG 38 13.100 -1.564 11.482 282 HH22 ARG 38 1HH2 ARG 38 14.672 -0.857 11.642 283 H ARG 39 H ARG 39 9.174 -2.267 5.288 284 HA ARG 39 HA ARG 39 10.036 -3.938 3.364 285 HB2 ARG 39 1HB ARG 39 7.165 -3.103 3.814 286 HB3 ARG 39 2HB ARG 39 7.662 -4.532 2.917 287 HG2 ARG 39 1HG ARG 39 8.902 -5.186 5.080 288 HG3 ARG 39 2HG ARG 39 7.863 -3.984 5.849 289 HD2 ARG 39 1HD ARG 39 6.756 -6.168 4.111 290 HD3 ARG 39 2HD ARG 39 7.056 -6.409 5.832 291 HE ARG 39 HE ARG 39 5.562 -4.160 5.784 292 HH11 ARG 39 2HH1 ARG 39 5.164 -7.314 4.367 293 HH12 ARG 39 1HH1 ARG 39 3.433 -7.266 4.427 294 HH21 ARG 39 2HH2 ARG 39 3.284 -4.084 5.868 295 HH22 ARG 39 1HH2 ARG 39 2.365 -5.428 5.280 296 H THR 40 H THR 40 7.904 -1.156 2.716 297 HA THR 40 HA THR 40 7.487 -1.279 0.069 298 HB THR 40 HB THR 40 7.560 1.166 -0.058 299 HG1 THR 40 1HG THR 40 8.292 1.561 2.561 300 HG21 THR 40 1HG2 THR 40 6.061 1.663 1.881 301 HG22 THR 40 2HG2 THR 40 6.433 0.060 2.514 302 HG23 THR 40 3HG2 THR 40 5.603 0.227 0.968 303 H HIS 41 H HIS 41 10.438 0.170 1.457 304 HA HIS 41 HA HIS 41 11.877 0.898 -0.665 305 HB2 HIS 41 1HB HIS 41 12.851 -0.771 1.657 306 HB3 HIS 41 2HB HIS 41 13.931 -0.004 0.496 307 HD1 HIS 41 1HD HIS 41 12.858 2.768 0.250 308 HD2 HIS 41 2HD HIS 41 12.980 0.752 3.880 309 HE1 HIS 41 1HE HIS 41 12.819 4.559 2.015 310 H THR 42 H THR 42 11.611 -2.488 0.393 311 HA THR 42 HA THR 42 12.805 -3.349 -2.140 312 HB THR 42 HB THR 42 13.760 -4.345 -0.123 313 HG1 THR 42 1HG THR 42 13.944 -5.848 -1.639 314 HG21 THR 42 1HG2 THR 42 10.915 -4.840 0.490 315 HG22 THR 42 2HG2 THR 42 12.276 -4.551 1.574 316 HG23 THR 42 3HG2 THR 42 12.025 -6.153 0.881 317 H GLY 43 H GLY 43 11.750 -4.662 -3.596 318 HA2 GLY 43 1HA GLY 43 9.587 -6.213 -3.475 319 HA3 GLY 43 2HA GLY 43 8.844 -4.621 -3.416 320 H GLU 44 H GLU 44 8.448 -3.588 -5.278 321 HA GLU 44 HA GLU 44 9.830 -4.499 -7.704 322 HB2 GLU 44 1HB GLU 44 7.431 -5.457 -7.308 323 HB3 GLU 44 2HB GLU 44 6.904 -3.850 -7.792 324 HG2 GLU 44 1HG GLU 44 6.840 -5.159 -9.736 325 HG3 GLU 44 2HG GLU 44 8.286 -4.162 -9.880 326 H LYS 45 H LYS 45 7.550 -2.072 -6.437 327 HA LYS 45 HA LYS 45 8.768 -0.079 -8.218 328 HB2 LYS 45 1HB LYS 45 6.083 -0.394 -6.978 329 HB3 LYS 45 2HB LYS 45 6.675 1.246 -7.210 330 HG2 LYS 45 1HG LYS 45 5.396 0.720 -9.117 331 HG3 LYS 45 2HG LYS 45 7.087 0.638 -9.618 332 HD2 LYS 45 1HD LYS 45 6.336 -1.312 -10.535 333 HD3 LYS 45 2HD LYS 45 6.777 -1.905 -8.932 334 HE2 LYS 45 1HE LYS 45 4.413 -1.528 -8.226 335 HE3 LYS 45 2HE LYS 45 4.028 -1.134 -9.900 336 HZ1 LYS 45 1HZ LYS 45 5.427 -3.601 -9.722 337 HZ2 LYS 45 2HZ LYS 45 3.915 -3.276 -10.406 338 HZ3 LYS 45 3HZ LYS 45 4.038 -3.633 -8.757 339 HA PRO 46 HA PRO 46 10.837 1.857 -4.849 340 HB2 PRO 46 1HB PRO 46 11.088 4.358 -5.874 341 HB3 PRO 46 2HB PRO 46 12.051 2.987 -6.439 342 HG2 PRO 46 1HG PRO 46 9.593 4.200 -7.643 343 HG3 PRO 46 2HG PRO 46 11.078 3.652 -8.443 344 HD2 PRO 46 1HD PRO 46 8.813 2.168 -8.400 345 HD3 PRO 46 2HD PRO 46 10.432 1.439 -8.403 346 H TYR 47 H TYR 47 7.683 2.570 -5.772 347 HA TYR 47 HA TYR 47 7.314 4.249 -3.383 348 HB2 TYR 47 1HB TYR 47 5.782 4.570 -5.969 349 HB3 TYR 47 2HB TYR 47 5.651 5.576 -4.531 350 HD1 TYR 47 2HD TYR 47 7.487 7.119 -3.928 351 HD2 TYR 47 1HD TYR 47 7.544 4.895 -7.555 352 HE1 TYR 47 2HE TYR 47 9.224 8.618 -4.814 353 HE2 TYR 47 1HE TYR 47 9.282 6.387 -8.450 354 HH TYR 47 HH TYR 47 10.077 8.729 -8.060 355 H LYS 48 H LYS 48 5.596 3.764 -2.100 356 HA LYS 48 HA LYS 48 3.463 2.050 -2.992 357 HB2 LYS 48 1HB LYS 48 5.056 0.317 -2.562 358 HB3 LYS 48 2HB LYS 48 5.529 1.047 -1.034 359 HG2 LYS 48 1HG LYS 48 3.619 0.334 0.051 360 HG3 LYS 48 2HG LYS 48 2.711 0.150 -1.452 361 HD2 LYS 48 1HD LYS 48 5.119 -1.549 -1.036 362 HD3 LYS 48 2HD LYS 48 3.651 -1.942 -0.138 363 HE2 LYS 48 1HE LYS 48 2.430 -2.350 -2.085 364 HE3 LYS 48 2HE LYS 48 3.575 -1.472 -3.098 365 HZ1 LYS 48 1HZ LYS 48 5.169 -3.220 -2.825 366 HZ2 LYS 48 2HZ LYS 48 3.714 -3.903 -3.348 367 HZ3 LYS 48 3HZ LYS 48 4.175 -4.036 -1.726 368 H CYS 49 H CYS 49 1.693 2.812 -2.059 369 HA CYS 49 HA CYS 49 1.895 4.487 0.298 370 HB2 CYS 49 1HB CYS 49 0.460 5.112 -1.642 371 HB3 CYS 49 2HB CYS 49 -0.559 3.719 -1.295 372 H ASP 50 H ASP 50 1.690 3.741 2.292 373 HA ASP 50 HA ASP 50 0.889 1.050 2.823 374 HB2 ASP 50 1HB ASP 50 1.047 1.928 5.269 375 HB3 ASP 50 2HB ASP 50 2.517 1.807 4.306 376 H GLU 51 H GLU 51 -0.600 4.221 3.200 377 HA GLU 51 HA GLU 51 -2.751 3.724 4.787 378 HB2 GLU 51 1HB GLU 51 -2.687 5.334 2.232 379 HB3 GLU 51 2HB GLU 51 -4.002 5.390 3.397 380 HG2 GLU 51 1HG GLU 51 -1.141 6.102 4.000 381 HG3 GLU 51 2HG GLU 51 -2.415 7.260 3.621 382 H CYS 52 H CYS 52 -2.606 3.111 1.283 383 HA CYS 52 HA CYS 52 -5.021 1.454 1.534 384 HB2 CYS 52 1HB CYS 52 -5.213 1.673 -0.911 385 HB3 CYS 52 2HB CYS 52 -5.178 3.246 -0.121 386 H GLY 53 H GLY 53 -1.784 1.473 0.060 387 HA2 GLY 53 1HA GLY 53 -0.367 -0.479 0.336 388 HA3 GLY 53 2HA GLY 53 -1.813 -1.473 0.233 389 H LYS 54 H LYS 54 -1.098 1.241 -1.881 390 HA LYS 54 HA LYS 54 -0.970 -0.650 -4.131 391 HB2 LYS 54 1HB LYS 54 -2.726 1.332 -3.868 392 HB3 LYS 54 2HB LYS 54 -1.409 2.266 -4.566 393 HG2 LYS 54 1HG LYS 54 -2.178 -0.273 -5.898 394 HG3 LYS 54 2HG LYS 54 -3.251 1.119 -6.063 395 HD2 LYS 54 1HD LYS 54 -1.013 2.370 -6.637 396 HD3 LYS 54 2HD LYS 54 -0.454 0.743 -7.033 397 HE2 LYS 54 1HE LYS 54 -2.962 1.990 -8.148 398 HE3 LYS 54 2HE LYS 54 -1.399 2.020 -8.963 399 HZ1 LYS 54 1HZ LYS 54 -1.445 -0.251 -9.313 400 HZ2 LYS 54 2HZ LYS 54 -3.062 0.180 -9.557 401 HZ3 LYS 54 3HZ LYS 54 -2.588 -0.536 -8.099 402 H ALA 55 H ALA 55 0.604 -0.408 -5.734 403 HA ALA 55 HA ALA 55 2.956 1.146 -4.888 404 HB1 ALA 55 1HB ALA 55 4.339 -0.446 -5.909 405 HB2 ALA 55 2HB ALA 55 3.085 -1.394 -5.108 406 HB3 ALA 55 3HB ALA 55 3.010 -1.126 -6.849 407 H PHE 56 H PHE 56 4.097 2.387 -6.385 408 HA PHE 56 HA PHE 56 2.790 2.812 -8.985 409 HB2 PHE 56 1HB PHE 56 3.916 5.061 -7.318 410 HB3 PHE 56 2HB PHE 56 2.936 5.183 -8.776 411 HD1 PHE 56 2HD PHE 56 2.895 4.383 -5.188 412 HD2 PHE 56 1HD PHE 56 0.563 5.036 -8.688 413 HE1 PHE 56 2HE PHE 56 0.866 4.522 -3.805 414 HE2 PHE 56 1HE PHE 56 -1.471 5.178 -7.310 415 HZ PHE 56 HZ PHE 56 -1.321 4.919 -4.865 416 H ILE 57 H ILE 57 4.130 3.179 -10.702 417 HA ILE 57 HA ILE 57 6.914 2.514 -10.322 418 HB ILE 57 HB ILE 57 5.393 3.180 -12.845 419 HG12 ILE 57 1HG1 ILE 57 5.950 0.578 -13.081 420 HG13 ILE 57 2HG1 ILE 57 5.905 0.671 -11.323 421 HG21 ILE 57 1HG2 ILE 57 7.950 3.524 -12.767 422 HG22 ILE 57 2HG2 ILE 57 8.028 1.763 -12.738 423 HG23 ILE 57 3HG2 ILE 57 7.260 2.590 -14.094 424 HD11 ILE 57 1HD1 ILE 57 3.649 1.467 -11.368 425 HD12 ILE 57 2HD1 ILE 57 3.682 1.590 -13.127 426 HD13 ILE 57 3HD1 ILE 57 3.758 0.008 -12.352 427 H GLN 58 H GLN 58 5.091 5.279 -11.620 428 HA GLN 58 HA GLN 58 7.529 6.876 -11.695 429 HB2 GLN 58 1HB GLN 58 4.732 7.274 -12.715 430 HB3 GLN 58 2HB GLN 58 5.845 8.630 -12.595 431 HG2 GLN 58 1HG GLN 58 7.419 7.465 -14.058 432 HG3 GLN 58 2HG GLN 58 6.292 6.116 -14.187 433 HE21 GLN 58 1HE2 GLN 58 6.219 9.653 -14.509 434 HE22 GLN 58 2HE2 GLN 58 5.304 9.670 -15.974 435 H ARG 59 H ARG 59 7.166 9.257 -10.967 436 HA ARG 59 HA ARG 59 6.593 9.158 -8.152 437 HB2 ARG 59 1HB ARG 59 8.467 10.480 -9.281 438 HB3 ARG 59 2HB ARG 59 7.224 11.631 -9.754 439 HG2 ARG 59 1HG ARG 59 7.918 12.610 -7.830 440 HG3 ARG 59 2HG ARG 59 6.677 11.545 -7.167 441 HD2 ARG 59 1HD ARG 59 8.567 11.266 -5.785 442 HD3 ARG 59 2HD ARG 59 8.516 9.841 -6.822 443 HE ARG 59 HE ARG 59 10.146 11.540 -8.164 444 HH11 ARG 59 2HH1 ARG 59 10.096 10.320 -4.904 445 HH12 ARG 59 1HH1 ARG 59 11.816 10.392 -4.712 446 HH21 ARG 59 2HH2 ARG 59 12.412 11.639 -7.923 447 HH22 ARG 59 1HH2 ARG 59 13.133 11.143 -6.429 448 H SER 60 H SER 60 5.325 11.089 -10.868 449 HA SER 60 HA SER 60 3.300 12.397 -9.486 450 HB2 SER 60 1HB SER 60 2.191 12.602 -11.740 451 HB3 SER 60 2HB SER 60 3.878 13.113 -11.706 452 HG SER 60 HG SER 60 2.793 10.710 -12.733 453 H HIS 61 H HIS 61 3.489 9.124 -10.591 454 HA HIS 61 HA HIS 61 0.777 8.456 -10.727 455 HB2 HIS 61 1HB HIS 61 3.247 6.858 -10.093 456 HB3 HIS 61 2HB HIS 61 1.650 6.114 -10.081 457 HD1 HIS 61 1HD HIS 61 2.254 4.617 -12.099 458 HD2 HIS 61 2HD HIS 61 2.458 8.691 -12.886 459 HE1 HIS 61 1HE HIS 61 2.414 4.811 -14.601 460 H LEU 62 H LEU 62 2.877 8.957 -8.001 461 HA LEU 62 HA LEU 62 0.831 7.943 -6.162 462 HB2 LEU 62 1HB LEU 62 2.910 7.044 -5.599 463 HB3 LEU 62 2HB LEU 62 3.747 8.569 -5.881 464 HG LEU 62 HG LEU 62 2.516 9.448 -3.836 465 HD11 LEU 62 1HD1 LEU 62 0.846 8.082 -3.194 466 HD12 LEU 62 2HD1 LEU 62 2.133 7.261 -2.311 467 HD13 LEU 62 3HD1 LEU 62 1.609 6.646 -3.879 468 HD21 LEU 62 1HD2 LEU 62 4.669 9.176 -3.254 469 HD22 LEU 62 2HD2 LEU 62 4.774 7.575 -3.986 470 HD23 LEU 62 3HD2 LEU 62 4.069 7.766 -2.380 471 H ILE 63 H ILE 63 2.772 10.828 -6.841 472 HA ILE 63 HA ILE 63 2.016 12.527 -4.851 473 HB ILE 63 HB ILE 63 2.276 13.207 -7.782 474 HG12 ILE 63 1HG1 ILE 63 4.228 13.151 -5.481 475 HG13 ILE 63 2HG1 ILE 63 4.318 12.260 -6.997 476 HG21 ILE 63 1HG2 ILE 63 2.721 15.507 -6.986 477 HG22 ILE 63 2HG2 ILE 63 1.074 14.967 -6.661 478 HG23 ILE 63 3HG2 ILE 63 2.264 15.000 -5.360 479 HD11 ILE 63 1HD1 ILE 63 4.707 15.209 -6.581 480 HD12 ILE 63 2HD1 ILE 63 5.905 14.019 -7.089 481 HD13 ILE 63 3HD1 ILE 63 4.578 14.450 -8.167 482 H GLY 64 H GLY 64 0.060 11.392 -7.516 483 HA2 GLY 64 1HA GLY 64 -2.067 13.294 -7.005 484 HA3 GLY 64 2HA GLY 64 -2.088 11.993 -8.186 485 H HIS 65 H HIS 65 -1.824 9.736 -6.875 486 HA HIS 65 HA HIS 65 -4.251 9.097 -5.837 487 HB2 HIS 65 1HB HIS 65 -2.895 7.261 -6.272 488 HB3 HIS 65 2HB HIS 65 -1.526 7.935 -5.393 489 HD1 HIS 65 1HD HIS 65 -4.780 6.135 -4.838 490 HD2 HIS 65 2HD HIS 65 -1.405 7.285 -2.705 491 HE1 HIS 65 1HE HIS 65 -4.949 4.954 -2.624 492 H HIS 66 H HIS 66 -1.441 10.239 -4.000 493 HA HIS 66 HA HIS 66 -2.098 9.982 -1.430 494 HB2 HIS 66 1HB HIS 66 -0.896 12.252 -2.931 495 HB3 HIS 66 2HB HIS 66 -1.362 12.548 -1.258 496 HD1 HIS 66 1HD HIS 66 1.436 11.501 -3.171 497 HD2 HIS 66 2HD HIS 66 -0.173 10.363 0.486 498 HE1 HIS 66 1HE HIS 66 3.298 10.331 -1.952 499 H ARG 67 H ARG 67 -3.308 12.762 -3.317 500 HA ARG 67 HA ARG 67 -4.984 13.931 -1.554 501 HB2 ARG 67 1HB ARG 67 -6.123 14.883 -3.347 502 HB3 ARG 67 2HB ARG 67 -4.579 14.439 -4.062 503 HG2 ARG 67 1HG ARG 67 -5.657 12.338 -4.884 504 HG3 ARG 67 2HG ARG 67 -7.200 12.991 -4.328 505 HD2 ARG 67 1HD ARG 67 -7.256 14.610 -5.950 506 HD3 ARG 67 2HD ARG 67 -5.500 14.678 -6.092 507 HE ARG 67 HE ARG 67 -6.434 12.174 -6.990 508 HH11 ARG 67 2HH1 ARG 67 -6.369 15.532 -7.904 509 HH12 ARG 67 1HH1 ARG 67 -6.431 15.205 -9.605 510 HH21 ARG 67 2HH2 ARG 67 -6.517 11.730 -9.226 511 HH22 ARG 67 1HH2 ARG 67 -6.517 13.042 -10.355 512 H VAL 68 H VAL 68 -5.693 11.010 -3.423 513 HA VAL 68 HA VAL 68 -8.307 10.541 -2.990 514 HB VAL 68 HB VAL 68 -6.110 8.503 -2.602 515 HG11 VAL 68 1HG1 VAL 68 -7.892 7.333 -1.796 516 HG12 VAL 68 2HG1 VAL 68 -9.070 8.284 -2.704 517 HG13 VAL 68 3HG1 VAL 68 -8.122 7.040 -3.519 518 HG21 VAL 68 1HG2 VAL 68 -6.303 8.025 -4.912 519 HG22 VAL 68 2HG2 VAL 68 -7.751 9.018 -5.072 520 HG23 VAL 68 3HG2 VAL 68 -6.187 9.780 -4.784 521 H HIS 69 H HIS 69 -5.755 9.793 -0.620 522 HA HIS 69 HA HIS 69 -7.654 9.072 1.410 523 HB2 HIS 69 1HB HIS 69 -4.669 9.535 1.499 524 HB3 HIS 69 2HB HIS 69 -5.617 9.009 2.886 525 HD1 HIS 69 1HD HIS 69 -6.960 6.656 2.450 526 HD2 HIS 69 2HD HIS 69 -3.729 7.500 -0.023 527 HE1 HIS 69 1HE HIS 69 -6.304 4.454 1.426 528 H THR 70 H THR 70 -7.752 10.149 3.522 529 HA THR 70 HA THR 70 -7.673 13.071 3.194 530 HB THR 70 HB THR 70 -9.309 11.417 5.127 531 HG1 THR 70 1HG THR 70 -10.319 11.208 3.214 532 HG21 THR 70 1HG2 THR 70 -8.543 13.834 5.740 533 HG22 THR 70 2HG2 THR 70 -10.232 13.374 5.957 534 HG23 THR 70 3HG2 THR 70 -9.750 14.320 4.550 535 H GLY 71 H GLY 71 -5.546 13.447 3.823 536 HA2 GLY 71 1HA GLY 71 -3.985 12.445 5.747 537 HA3 GLY 71 2HA GLY 71 -4.079 14.178 5.474 538 H SER 72 H SER 72 -5.940 15.286 6.616 539 HA SER 72 HA SER 72 -7.030 15.851 8.534 540 HB2 SER 72 1HB SER 72 -7.999 13.489 8.184 541 HB3 SER 72 2HB SER 72 -6.869 12.981 9.438 542 HG SER 72 HG SER 72 -7.964 15.013 10.502 543 H GLY 73 H GLY 73 -4.285 16.192 8.439 544 HA2 GLY 73 1HA GLY 73 -3.061 15.151 10.830 545 HA3 GLY 73 2HA GLY 73 -2.369 16.337 9.733 546 HA PRO 74 HA PRO 74 -3.328 19.670 12.412 547 HB2 PRO 74 1HB PRO 74 -4.582 21.511 10.860 548 HB3 PRO 74 2HB PRO 74 -2.858 21.145 10.715 549 HG2 PRO 74 1HG PRO 74 -5.149 20.167 9.054 550 HG3 PRO 74 2HG PRO 74 -3.548 20.724 8.534 551 HD2 PRO 74 1HD PRO 74 -4.186 18.100 8.725 552 HD3 PRO 74 2HD PRO 74 -2.547 18.708 9.030 553 H SER 75 H SER 75 -5.907 18.010 10.927 554 HA SER 75 HA SER 75 -7.969 19.431 12.420 555 HB2 SER 75 1HB SER 75 -7.950 17.433 10.206 556 HB3 SER 75 2HB SER 75 -9.365 17.482 11.258 557 HG SER 75 HG SER 75 -9.357 19.818 10.802 558 H SER 76 H SER 76 -9.194 18.532 14.053 559 HA SER 76 HA SER 76 -7.945 16.800 15.834 560 HB2 SER 76 1HB SER 76 -10.796 17.711 15.532 561 HB3 SER 76 2HB SER 76 -10.347 16.555 16.786 562 HG SER 76 HG SER 76 -8.867 18.922 16.501 563 H GLY 77 H GLY 77 -8.404 14.641 16.465 564 HA2 GLY 77 1HA GLY 77 -10.142 12.947 14.977 565 HA3 GLY 77 2HA GLY 77 -8.481 12.768 14.430 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -9.371 36.110 -23.560 2 HA2 GLY 1 1HA GLY 1 -8.215 33.561 -24.429 3 HA3 GLY 1 2HA GLY 1 -7.121 34.908 -24.151 4 H SER 2 H SER 2 -6.286 33.176 -22.621 5 HA SER 2 HA SER 2 -7.027 33.911 -19.965 6 HB2 SER 2 1HB SER 2 -7.604 31.571 -19.230 7 HB3 SER 2 2HB SER 2 -8.820 32.336 -20.254 8 HG SER 2 HG SER 2 -7.782 30.028 -20.660 9 H SER 3 H SER 3 -5.795 32.442 -18.342 10 HA SER 3 HA SER 3 -3.277 31.484 -19.502 11 HB2 SER 3 1HB SER 3 -3.157 33.918 -18.641 12 HB3 SER 3 2HB SER 3 -3.262 33.206 -17.031 13 HG SER 3 HG SER 3 -1.085 33.575 -18.071 14 H GLY 4 H GLY 4 -1.888 30.507 -17.616 15 HA2 GLY 4 1HA GLY 4 -3.705 28.965 -15.868 16 HA3 GLY 4 2HA GLY 4 -2.372 28.210 -16.728 17 H SER 5 H SER 5 -3.238 28.998 -13.773 18 HA SER 5 HA SER 5 -0.623 30.064 -12.958 19 HB2 SER 5 1HB SER 5 -2.958 31.077 -12.252 20 HB3 SER 5 2HB SER 5 -2.910 29.790 -11.048 21 HG SER 5 HG SER 5 -1.570 32.131 -11.097 22 H SER 6 H SER 6 0.578 29.061 -11.327 23 HA SER 6 HA SER 6 0.469 26.223 -11.321 24 HB2 SER 6 1HB SER 6 2.095 28.172 -9.675 25 HB3 SER 6 2HB SER 6 2.315 26.423 -9.623 26 HG SER 6 HG SER 6 3.647 26.837 -11.210 27 H GLY 7 H GLY 7 0.757 25.101 -9.043 28 HA2 GLY 7 1HA GLY 7 -0.992 26.168 -6.994 29 HA3 GLY 7 2HA GLY 7 -1.628 24.765 -7.840 30 H ARG 8 H ARG 8 -1.115 24.805 -5.085 31 HA ARG 8 HA ARG 8 0.910 22.695 -4.938 32 HB2 ARG 8 1HB ARG 8 0.757 24.967 -2.949 33 HB3 ARG 8 2HB ARG 8 1.889 23.622 -2.921 34 HG2 ARG 8 1HG ARG 8 3.052 24.424 -4.801 35 HG3 ARG 8 2HG ARG 8 1.766 25.564 -5.205 36 HD2 ARG 8 1HD ARG 8 3.111 25.793 -2.557 37 HD3 ARG 8 2HD ARG 8 3.966 26.355 -3.993 38 HE ARG 8 HE ARG 8 1.740 27.613 -2.711 39 HH11 ARG 8 2HH1 ARG 8 3.364 27.162 -5.758 40 HH12 ARG 8 1HH1 ARG 8 2.776 28.642 -6.439 41 HH21 ARG 8 2HH2 ARG 8 0.960 29.565 -3.597 42 HH22 ARG 8 1HH2 ARG 8 1.410 30.009 -5.209 43 H SER 9 H SER 9 0.768 21.483 -2.846 44 HA SER 9 HA SER 9 -1.810 21.639 -1.502 45 HB2 SER 9 1HB SER 9 -2.097 20.137 -3.510 46 HB3 SER 9 2HB SER 9 -0.916 19.049 -2.782 47 HG SER 9 HG SER 9 -3.062 18.452 -2.264 48 H GLU 10 H GLU 10 -1.336 21.605 0.584 49 HA GLU 10 HA GLU 10 0.763 19.763 1.521 50 HB2 GLU 10 1HB GLU 10 1.518 22.140 1.548 51 HB3 GLU 10 2HB GLU 10 0.200 22.509 2.652 52 HG2 GLU 10 1HG GLU 10 1.149 20.930 4.279 53 HG3 GLU 10 2HG GLU 10 2.495 20.635 3.180 54 H TRP 11 H TRP 11 0.427 18.775 3.517 55 HA TRP 11 HA TRP 11 -2.264 18.233 4.187 56 HB2 TRP 11 1HB TRP 11 -1.098 17.181 6.282 57 HB3 TRP 11 2HB TRP 11 -0.846 16.471 4.690 58 HD1 TRP 11 HD TRP 11 1.599 16.235 3.899 59 HE1 TRP 11 1HE TRP 11 3.884 17.011 4.794 60 HE3 TRP 11 3HE TRP 11 -0.002 19.292 7.671 61 HZ2 TRP 11 2HZ TRP 11 4.876 18.695 6.831 62 HZ3 TRP 11 3HZ TRP 11 1.679 20.448 9.047 63 HH2 TRP 11 HH TRP 11 4.067 20.154 8.634 64 H GLN 12 H GLN 12 -2.993 18.367 6.570 65 HA GLN 12 HA GLN 12 -2.964 21.167 7.290 66 HB2 GLN 12 1HB GLN 12 -4.448 18.792 8.418 67 HB3 GLN 12 2HB GLN 12 -4.617 20.430 9.037 68 HG2 GLN 12 1HG GLN 12 -5.345 19.432 6.296 69 HG3 GLN 12 2HG GLN 12 -6.438 19.981 7.566 70 HE21 GLN 12 1HE2 GLN 12 -4.193 20.931 5.103 71 HE22 GLN 12 2HE2 GLN 12 -4.576 22.615 5.113 72 H GLN 13 H GLN 13 -2.413 18.142 9.104 73 HA GLN 13 HA GLN 13 -0.212 19.430 10.521 74 HB2 GLN 13 1HB GLN 13 -2.401 19.733 11.807 75 HB3 GLN 13 2HB GLN 13 -2.362 17.994 12.068 76 HG2 GLN 13 1HG GLN 13 -1.428 18.919 13.996 77 HG3 GLN 13 2HG GLN 13 -0.052 18.345 13.055 78 HE21 GLN 13 1HE2 GLN 13 1.518 19.734 12.568 79 HE22 GLN 13 2HE2 GLN 13 1.461 21.439 12.840 80 H ARG 14 H ARG 14 1.354 18.023 11.251 81 HA ARG 14 HA ARG 14 1.069 15.257 10.311 82 HB2 ARG 14 1HB ARG 14 3.586 15.226 10.543 83 HB3 ARG 14 2HB ARG 14 2.949 16.311 9.314 84 HG2 ARG 14 1HG ARG 14 3.371 18.218 10.637 85 HG3 ARG 14 2HG ARG 14 3.669 17.241 12.077 86 HD2 ARG 14 1HD ARG 14 5.548 16.204 10.519 87 HD3 ARG 14 2HD ARG 14 5.423 17.781 9.741 88 HE ARG 14 HE ARG 14 5.649 18.396 12.368 89 HH11 ARG 14 2HH1 ARG 14 7.508 16.407 10.198 90 HH12 ARG 14 1HH1 ARG 14 9.007 16.679 11.023 91 HH21 ARG 14 2HH2 ARG 14 7.616 18.762 13.463 92 HH22 ARG 14 1HH2 ARG 14 9.067 18.019 12.881 93 H GLU 15 H GLU 15 1.382 13.521 11.642 94 HA GLU 15 HA GLU 15 1.028 13.967 14.452 95 HB2 GLU 15 1HB GLU 15 -0.104 12.103 13.425 96 HB3 GLU 15 2HB GLU 15 1.416 11.445 12.836 97 HG2 GLU 15 1HG GLU 15 2.115 11.176 15.228 98 HG3 GLU 15 2HG GLU 15 0.467 11.604 15.682 99 H ARG 16 H ARG 16 2.541 14.116 15.969 100 HA ARG 16 HA ARG 16 5.325 13.800 15.244 101 HB2 ARG 16 1HB ARG 16 5.813 14.793 17.394 102 HB3 ARG 16 2HB ARG 16 4.549 15.723 16.601 103 HG2 ARG 16 1HG ARG 16 2.877 14.838 18.021 104 HG3 ARG 16 2HG ARG 16 3.972 13.605 18.651 105 HD2 ARG 16 1HD ARG 16 5.387 15.487 19.548 106 HD3 ARG 16 2HD ARG 16 4.070 16.578 19.118 107 HE ARG 16 HE ARG 16 3.129 14.431 20.716 108 HH11 ARG 16 2HH1 ARG 16 4.896 17.427 20.878 109 HH12 ARG 16 1HH1 ARG 16 4.465 17.743 22.526 110 HH21 ARG 16 2HH2 ARG 16 2.555 14.837 22.886 111 HH22 ARG 16 1HH2 ARG 16 3.134 16.269 23.667 112 H ARG 17 H ARG 17 6.696 12.233 15.918 113 HA ARG 17 HA ARG 17 5.839 10.332 17.954 114 HB2 ARG 17 1HB ARG 17 6.205 9.692 15.060 115 HB3 ARG 17 2HB ARG 17 6.711 8.502 16.252 116 HG2 ARG 17 1HG ARG 17 3.967 9.707 16.306 117 HG3 ARG 17 2HG ARG 17 4.354 8.310 15.298 118 HD2 ARG 17 1HD ARG 17 5.312 7.303 17.480 119 HD3 ARG 17 2HD ARG 17 4.355 8.547 18.284 120 HE ARG 17 HE ARG 17 3.386 6.145 17.105 121 HH11 ARG 17 2HH1 ARG 17 2.577 9.476 17.712 122 HH12 ARG 17 1HH1 ARG 17 0.867 9.198 17.704 123 HH21 ARG 17 2HH2 ARG 17 1.137 5.766 17.092 124 HH22 ARG 17 1HH2 ARG 17 0.049 7.087 17.352 125 H ARG 18 H ARG 18 7.640 8.705 18.386 126 HA ARG 18 HA ARG 18 10.016 10.130 18.962 127 HB2 ARG 18 1HB ARG 18 9.118 7.294 19.248 128 HB3 ARG 18 2HB ARG 18 10.829 7.660 19.425 129 HG2 ARG 18 1HG ARG 18 10.041 7.755 21.596 130 HG3 ARG 18 2HG ARG 18 10.050 9.450 21.104 131 HD2 ARG 18 1HD ARG 18 7.763 9.574 21.000 132 HD3 ARG 18 2HD ARG 18 7.580 7.855 20.654 133 HE ARG 18 HE ARG 18 7.348 7.505 22.890 134 HH11 ARG 18 2HH1 ARG 18 9.059 10.500 22.418 135 HH12 ARG 18 1HH1 ARG 18 9.109 10.889 24.106 136 HH21 ARG 18 2HH2 ARG 18 7.408 8.006 25.115 137 HH22 ARG 18 1HH2 ARG 18 8.171 9.469 25.639 138 H TYR 19 H TYR 19 9.528 7.291 16.852 139 HA TYR 19 HA TYR 19 11.912 8.122 15.339 140 HB2 TYR 19 1HB TYR 19 10.637 5.411 15.714 141 HB3 TYR 19 2HB TYR 19 11.892 5.724 14.521 142 HD1 TYR 19 2HD TYR 19 11.227 6.091 18.176 143 HD2 TYR 19 1HD TYR 19 14.112 5.428 15.119 144 HE1 TYR 19 2HE TYR 19 12.946 5.700 19.891 145 HE2 TYR 19 1HE TYR 19 15.839 5.034 16.825 146 HH TYR 19 HH TYR 19 15.647 4.183 19.474 147 H LYS 20 H LYS 20 11.802 8.469 13.178 148 HA LYS 20 HA LYS 20 9.346 7.811 11.740 149 HB2 LYS 20 1HB LYS 20 8.788 10.003 12.393 150 HB3 LYS 20 2HB LYS 20 10.428 10.587 12.149 151 HG2 LYS 20 1HG LYS 20 10.124 10.215 9.705 152 HG3 LYS 20 2HG LYS 20 8.432 9.831 10.029 153 HD2 LYS 20 1HD LYS 20 8.214 12.078 11.107 154 HD3 LYS 20 2HD LYS 20 9.848 12.442 10.548 155 HE2 LYS 20 1HE LYS 20 9.130 12.090 8.234 156 HE3 LYS 20 2HE LYS 20 7.499 11.725 8.795 157 HZ1 LYS 20 1HZ LYS 20 7.037 13.875 8.811 158 HZ2 LYS 20 2HZ LYS 20 8.573 14.216 8.191 159 HZ3 LYS 20 3HZ LYS 20 8.322 14.195 9.864 160 H CYS 21 H CYS 21 9.780 7.036 9.778 161 HA CYS 21 HA CYS 21 12.449 6.785 8.855 162 HB2 CYS 21 1HB CYS 21 10.616 5.150 8.390 163 HB3 CYS 21 2HB CYS 21 9.899 6.327 7.294 164 H ASP 22 H ASP 22 13.409 7.645 6.970 165 HA ASP 22 HA ASP 22 12.383 10.305 6.264 166 HB2 ASP 22 1HB ASP 22 14.647 10.252 7.214 167 HB3 ASP 22 2HB ASP 22 15.161 9.150 5.939 168 H GLU 23 H GLU 23 13.093 7.174 4.992 169 HA GLU 23 HA GLU 23 13.393 7.780 2.272 170 HB2 GLU 23 1HB GLU 23 12.456 5.347 3.759 171 HB3 GLU 23 2HB GLU 23 12.399 5.391 2.003 172 HG2 GLU 23 1HG GLU 23 14.435 4.324 2.982 173 HG3 GLU 23 2HG GLU 23 14.746 5.629 1.840 174 H CYS 24 H CYS 24 10.472 6.878 4.098 175 HA CYS 24 HA CYS 24 8.853 7.898 1.861 176 HB2 CYS 24 1HB CYS 24 6.999 6.550 2.936 177 HB3 CYS 24 2HB CYS 24 8.317 5.611 2.243 178 H GLY 25 H GLY 25 9.005 7.782 5.414 179 HA2 GLY 25 1HA GLY 25 8.819 9.967 6.555 180 HA3 GLY 25 2HA GLY 25 7.507 10.331 5.443 181 H LYS 26 H LYS 26 7.940 7.201 6.954 182 HA LYS 26 HA LYS 26 5.338 7.518 8.243 183 HB2 LYS 26 1HB LYS 26 6.167 5.485 6.784 184 HB3 LYS 26 2HB LYS 26 6.895 4.964 8.298 185 HG2 LYS 26 1HG LYS 26 4.703 5.021 9.375 186 HG3 LYS 26 2HG LYS 26 3.972 5.545 7.856 187 HD2 LYS 26 1HD LYS 26 5.033 3.408 6.870 188 HD3 LYS 26 2HD LYS 26 5.190 2.893 8.551 189 HE2 LYS 26 1HE LYS 26 2.845 2.971 8.885 190 HE3 LYS 26 2HE LYS 26 2.587 3.830 7.368 191 HZ1 LYS 26 1HZ LYS 26 2.401 1.908 6.316 192 HZ2 LYS 26 2HZ LYS 26 2.535 1.089 7.790 193 HZ3 LYS 26 3HZ LYS 26 3.918 1.396 6.864 194 H SER 27 H SER 27 5.060 6.581 10.441 195 HA SER 27 HA SER 27 7.460 6.945 12.107 196 HB2 SER 27 1HB SER 27 5.909 7.965 13.838 197 HB3 SER 27 2HB SER 27 6.213 8.958 12.412 198 HG SER 27 HG SER 27 4.080 9.031 12.489 199 H PHE 28 H PHE 28 7.594 5.677 13.962 200 HA PHE 28 HA PHE 28 5.492 3.669 14.357 201 HB2 PHE 28 1HB PHE 28 8.445 3.032 14.203 202 HB3 PHE 28 2HB PHE 28 7.153 1.885 14.540 203 HD1 PHE 28 1HD PHE 28 8.552 4.121 11.952 204 HD2 PHE 28 2HD PHE 28 5.952 0.859 12.801 205 HE1 PHE 28 1HE PHE 28 8.319 3.684 9.542 206 HE2 PHE 28 2HE PHE 28 5.716 0.416 10.393 207 HZ PHE 28 HZ PHE 28 6.901 1.828 8.759 208 H SER 29 H SER 29 5.876 2.417 16.432 209 HA SER 29 HA SER 29 6.483 4.345 18.526 210 HB2 SER 29 1HB SER 29 5.309 1.559 18.718 211 HB3 SER 29 2HB SER 29 5.423 2.724 20.037 212 HG SER 29 HG SER 29 4.133 4.132 18.606 213 H HIS 30 H HIS 30 7.516 1.129 17.467 214 HA HIS 30 HA HIS 30 9.725 1.223 19.397 215 HB2 HIS 30 1HB HIS 30 8.073 -0.812 19.005 216 HB3 HIS 30 2HB HIS 30 9.196 -1.176 17.699 217 HD1 HIS 30 1HD HIS 30 11.305 -2.361 18.324 218 HD2 HIS 30 2HD HIS 30 9.346 -0.770 21.624 219 HE1 HIS 30 1HE HIS 30 12.551 -3.230 20.328 220 H SER 31 H SER 31 11.867 0.981 18.755 221 HA SER 31 HA SER 31 12.520 2.107 16.224 222 HB2 SER 31 1HB SER 31 14.841 1.852 16.919 223 HB3 SER 31 2HB SER 31 13.883 2.461 18.269 224 HG SER 31 HG SER 31 14.775 -0.199 17.849 225 H SER 32 H SER 32 12.808 -1.143 17.608 226 HA SER 32 HA SER 32 14.160 -2.399 15.540 227 HB2 SER 32 1HB SER 32 13.334 -3.284 17.874 228 HB3 SER 32 2HB SER 32 11.942 -3.841 16.946 229 HG SER 32 HG SER 32 14.127 -4.504 15.603 230 H ASP 33 H ASP 33 10.651 -2.019 15.970 231 HA ASP 33 HA ASP 33 9.805 -3.383 13.704 232 HB2 ASP 33 1HB ASP 33 8.594 -0.981 15.083 233 HB3 ASP 33 2HB ASP 33 7.775 -1.908 13.828 234 H LEU 34 H LEU 34 10.797 -0.005 14.059 235 HA LEU 34 HA LEU 34 10.148 0.879 11.488 236 HB2 LEU 34 1HB LEU 34 10.672 2.576 12.956 237 HB3 LEU 34 2HB LEU 34 12.098 1.744 13.572 238 HG LEU 34 HG LEU 34 13.188 2.230 11.342 239 HD11 LEU 34 1HD1 LEU 34 11.999 3.141 9.711 240 HD12 LEU 34 2HD1 LEU 34 11.671 4.547 10.723 241 HD13 LEU 34 3HD1 LEU 34 10.577 3.164 10.755 242 HD21 LEU 34 1HD2 LEU 34 13.187 4.837 12.018 243 HD22 LEU 34 2HD2 LEU 34 14.106 3.601 12.878 244 HD23 LEU 34 3HD2 LEU 34 12.542 4.130 13.499 245 H SER 35 H SER 35 13.107 -0.620 12.728 246 HA SER 35 HA SER 35 14.754 -0.360 10.531 247 HB2 SER 35 1HB SER 35 15.703 -1.275 12.498 248 HB3 SER 35 2HB SER 35 14.504 -2.566 12.572 249 HG SER 35 HG SER 35 16.513 -2.267 10.586 250 H LYS 36 H LYS 36 12.550 -3.073 11.226 251 HA LYS 36 HA LYS 36 12.987 -4.474 8.844 252 HB2 LYS 36 1HB LYS 36 10.472 -4.389 10.522 253 HB3 LYS 36 2HB LYS 36 10.876 -5.624 9.336 254 HG2 LYS 36 1HG LYS 36 12.775 -6.324 10.670 255 HG3 LYS 36 2HG LYS 36 12.447 -5.042 11.839 256 HD2 LYS 36 1HD LYS 36 10.064 -6.205 11.881 257 HD3 LYS 36 2HD LYS 36 11.011 -7.601 11.363 258 HE2 LYS 36 1HE LYS 36 12.513 -7.234 13.304 259 HE3 LYS 36 2HE LYS 36 11.447 -5.937 13.840 260 HZ1 LYS 36 1HZ LYS 36 9.638 -7.585 13.951 261 HZ2 LYS 36 2HZ LYS 36 10.908 -7.941 15.009 262 HZ3 LYS 36 3HZ LYS 36 10.741 -8.808 13.566 263 H HIS 37 H HIS 37 10.658 -1.940 9.647 264 HA HIS 37 HA HIS 37 9.043 -1.995 7.414 265 HB2 HIS 37 1HB HIS 37 8.296 -0.459 8.948 266 HB3 HIS 37 2HB HIS 37 9.915 0.143 9.294 267 HD1 HIS 37 1HD HIS 37 7.331 0.332 6.514 268 HD2 HIS 37 2HD HIS 37 10.483 2.518 8.112 269 HE1 HIS 37 1HE HIS 37 7.327 2.521 5.277 270 H ARG 38 H ARG 38 12.146 -0.314 7.815 271 HA ARG 38 HA ARG 38 12.357 1.067 5.482 272 HB2 ARG 38 1HB ARG 38 14.329 -0.351 7.198 273 HB3 ARG 38 2HB ARG 38 14.876 0.183 5.614 274 HG2 ARG 38 1HG ARG 38 15.427 1.908 7.113 275 HG3 ARG 38 2HG ARG 38 14.011 2.473 6.224 276 HD2 ARG 38 1HD ARG 38 12.584 2.117 8.046 277 HD3 ARG 38 2HD ARG 38 13.747 1.074 8.864 278 HE ARG 38 HE ARG 38 13.623 3.942 8.961 279 HH11 ARG 38 2HH1 ARG 38 15.684 1.157 9.300 280 HH12 ARG 38 1HH1 ARG 38 16.824 1.962 10.326 281 HH21 ARG 38 2HH2 ARG 38 15.117 5.014 10.311 282 HH22 ARG 38 1HH2 ARG 38 16.500 4.156 10.902 283 H ARG 39 H ARG 39 12.937 -2.399 5.926 284 HA ARG 39 HA ARG 39 13.966 -3.140 3.517 285 HB2 ARG 39 1HB ARG 39 11.854 -4.532 5.165 286 HB3 ARG 39 2HB ARG 39 12.653 -5.280 3.788 287 HG2 ARG 39 1HG ARG 39 14.707 -5.375 4.872 288 HG3 ARG 39 2HG ARG 39 14.242 -4.155 6.060 289 HD2 ARG 39 1HD ARG 39 14.141 -6.139 7.267 290 HD3 ARG 39 2HD ARG 39 12.464 -5.868 6.797 291 HE ARG 39 HE ARG 39 13.791 -7.473 4.878 292 HH11 ARG 39 2HH1 ARG 39 12.426 -7.579 8.079 293 HH12 ARG 39 1HH1 ARG 39 12.065 -9.272 8.010 294 HH21 ARG 39 2HH2 ARG 39 13.321 -9.703 4.776 295 HH22 ARG 39 1HH2 ARG 39 12.576 -10.479 6.132 296 H THR 40 H THR 40 10.519 -2.649 4.237 297 HA THR 40 HA THR 40 9.253 -3.373 1.989 298 HB THR 40 HB THR 40 7.683 -1.508 2.267 299 HG1 THR 40 1HG THR 40 8.174 0.106 3.831 300 HG21 THR 40 1HG2 THR 40 8.698 -2.890 4.734 301 HG22 THR 40 2HG2 THR 40 7.259 -3.246 3.778 302 HG23 THR 40 3HG2 THR 40 7.309 -1.806 4.794 303 H HIS 41 H HIS 41 11.376 -0.589 2.295 304 HA HIS 41 HA HIS 41 10.795 0.425 -0.330 305 HB2 HIS 41 1HB HIS 41 13.210 1.105 1.342 306 HB3 HIS 41 2HB HIS 41 12.425 2.095 0.116 307 HD1 HIS 41 1HD HIS 41 9.627 2.345 0.936 308 HD2 HIS 41 2HD HIS 41 12.681 2.188 3.748 309 HE1 HIS 41 1HE HIS 41 8.681 3.396 3.016 310 H THR 42 H THR 42 11.220 -1.961 -1.066 311 HA THR 42 HA THR 42 13.949 -2.007 -2.154 312 HB THR 42 HB THR 42 13.883 -4.531 -1.953 313 HG1 THR 42 1HG THR 42 11.586 -3.824 -0.491 314 HG21 THR 42 1HG2 THR 42 14.132 -4.237 0.735 315 HG22 THR 42 2HG2 THR 42 14.304 -2.566 0.197 316 HG23 THR 42 3HG2 THR 42 15.385 -3.811 -0.430 317 H GLY 43 H GLY 43 12.927 -1.123 -4.056 318 HA2 GLY 43 1HA GLY 43 12.291 -3.083 -5.981 319 HA3 GLY 43 2HA GLY 43 10.807 -2.314 -5.439 320 H GLU 44 H GLU 44 11.058 -1.929 -7.938 321 HA GLU 44 HA GLU 44 12.736 0.341 -8.586 322 HB2 GLU 44 1HB GLU 44 10.750 -1.264 -10.196 323 HB3 GLU 44 2HB GLU 44 11.613 0.126 -10.841 324 HG2 GLU 44 1HG GLU 44 13.748 -1.071 -10.233 325 HG3 GLU 44 2HG GLU 44 12.755 -2.495 -9.925 326 H LYS 45 H LYS 45 9.294 -0.355 -8.187 327 HA LYS 45 HA LYS 45 7.997 1.814 -9.050 328 HB2 LYS 45 1HB LYS 45 7.697 0.173 -6.595 329 HB3 LYS 45 2HB LYS 45 6.794 1.681 -6.651 330 HG2 LYS 45 1HG LYS 45 5.307 0.109 -7.491 331 HG3 LYS 45 2HG LYS 45 5.966 0.875 -8.939 332 HD2 LYS 45 1HD LYS 45 6.042 -1.399 -9.443 333 HD3 LYS 45 2HD LYS 45 7.686 -1.042 -8.909 334 HE2 LYS 45 1HE LYS 45 7.247 -2.964 -7.728 335 HE3 LYS 45 2HE LYS 45 6.754 -1.734 -6.565 336 HZ1 LYS 45 1HZ LYS 45 4.709 -2.685 -8.408 337 HZ2 LYS 45 2HZ LYS 45 4.586 -2.275 -6.772 338 HZ3 LYS 45 3HZ LYS 45 5.219 -3.778 -7.220 339 HA PRO 46 HA PRO 46 10.504 5.029 -7.057 340 HB2 PRO 46 1HB PRO 46 9.782 6.969 -8.813 341 HB3 PRO 46 2HB PRO 46 11.054 5.790 -9.154 342 HG2 PRO 46 1HG PRO 46 8.195 5.803 -10.041 343 HG3 PRO 46 2HG PRO 46 9.654 5.413 -10.972 344 HD2 PRO 46 1HD PRO 46 8.027 3.507 -9.945 345 HD3 PRO 46 2HD PRO 46 9.779 3.276 -10.118 346 H TYR 47 H TYR 47 7.171 4.574 -7.461 347 HA TYR 47 HA TYR 47 6.580 6.917 -5.773 348 HB2 TYR 47 1HB TYR 47 4.606 5.479 -7.548 349 HB3 TYR 47 2HB TYR 47 4.392 7.025 -6.733 350 HD1 TYR 47 2HD TYR 47 5.578 9.033 -7.558 351 HD2 TYR 47 1HD TYR 47 5.747 5.329 -9.645 352 HE1 TYR 47 2HE TYR 47 6.388 10.206 -9.562 353 HE2 TYR 47 1HE TYR 47 6.559 6.492 -11.655 354 HH TYR 47 HH TYR 47 6.839 10.018 -11.750 355 H LYS 48 H LYS 48 5.122 6.661 -4.051 356 HA LYS 48 HA LYS 48 3.867 4.208 -3.403 357 HB2 LYS 48 1HB LYS 48 6.259 3.597 -2.989 358 HB3 LYS 48 2HB LYS 48 6.320 4.853 -1.759 359 HG2 LYS 48 1HG LYS 48 4.222 3.531 -0.831 360 HG3 LYS 48 2HG LYS 48 4.988 2.205 -1.710 361 HD2 LYS 48 1HD LYS 48 7.069 2.594 -0.484 362 HD3 LYS 48 2HD LYS 48 6.310 3.929 0.387 363 HE2 LYS 48 1HE LYS 48 4.961 2.524 1.628 364 HE3 LYS 48 2HE LYS 48 5.050 1.222 0.442 365 HZ1 LYS 48 1HZ LYS 48 6.448 0.392 1.995 366 HZ2 LYS 48 2HZ LYS 48 6.900 1.909 2.590 367 HZ3 LYS 48 3HZ LYS 48 7.580 1.327 1.154 368 H CYS 49 H CYS 49 2.595 4.341 -1.514 369 HA CYS 49 HA CYS 49 2.263 7.090 -0.531 370 HB2 CYS 49 1HB CYS 49 0.334 5.891 -1.660 371 HB3 CYS 49 2HB CYS 49 0.294 4.817 -0.265 372 H ASP 50 H ASP 50 1.456 7.258 1.760 373 HA ASP 50 HA ASP 50 3.029 5.443 3.460 374 HB2 ASP 50 1HB ASP 50 2.391 8.349 3.600 375 HB3 ASP 50 2HB ASP 50 2.558 7.476 5.121 376 H GLU 51 H GLU 51 0.134 7.500 3.830 377 HA GLU 51 HA GLU 51 -1.033 6.318 5.976 378 HB2 GLU 51 1HB GLU 51 -3.259 6.908 4.875 379 HB3 GLU 51 2HB GLU 51 -2.104 8.217 5.088 380 HG2 GLU 51 1HG GLU 51 -1.388 7.558 2.654 381 HG3 GLU 51 2HG GLU 51 -3.012 6.874 2.596 382 H CYS 52 H CYS 52 -1.822 5.397 2.618 383 HA CYS 52 HA CYS 52 -3.043 2.939 3.516 384 HB2 CYS 52 1HB CYS 52 -3.700 2.612 1.254 385 HB3 CYS 52 2HB CYS 52 -3.867 4.336 1.568 386 H GLY 53 H GLY 53 -0.097 3.919 1.833 387 HA2 GLY 53 1HA GLY 53 1.933 2.809 1.729 388 HA3 GLY 53 2HA GLY 53 1.222 1.493 2.651 389 H LYS 54 H LYS 54 0.449 2.945 -0.509 390 HA LYS 54 HA LYS 54 0.637 0.242 -1.670 391 HB2 LYS 54 1HB LYS 54 -1.647 1.088 -1.705 392 HB3 LYS 54 2HB LYS 54 -1.114 2.565 -2.497 393 HG2 LYS 54 1HG LYS 54 -0.426 1.252 -4.453 394 HG3 LYS 54 2HG LYS 54 -1.009 -0.212 -3.659 395 HD2 LYS 54 1HD LYS 54 -2.850 2.117 -3.984 396 HD3 LYS 54 2HD LYS 54 -2.529 1.064 -5.364 397 HE2 LYS 54 1HE LYS 54 -3.498 0.118 -2.670 398 HE3 LYS 54 2HE LYS 54 -4.541 0.417 -4.059 399 HZ1 LYS 54 1HZ LYS 54 -4.166 -1.798 -4.305 400 HZ2 LYS 54 2HZ LYS 54 -2.628 -1.749 -3.603 401 HZ3 LYS 54 3HZ LYS 54 -2.849 -1.216 -5.193 402 H ALA 55 H ALA 55 1.687 -0.031 -3.624 403 HA ALA 55 HA ALA 55 3.523 2.126 -4.343 404 HB1 ALA 55 1HB ALA 55 4.065 -0.164 -5.887 405 HB2 ALA 55 2HB ALA 55 4.977 0.460 -4.511 406 HB3 ALA 55 3HB ALA 55 3.697 -0.727 -4.256 407 H PHE 56 H PHE 56 3.870 2.731 -6.544 408 HA PHE 56 HA PHE 56 1.743 2.020 -8.428 409 HB2 PHE 56 1HB PHE 56 2.562 4.879 -7.882 410 HB3 PHE 56 2HB PHE 56 1.322 4.335 -9.007 411 HD1 PHE 56 2HD PHE 56 2.212 4.397 -5.405 412 HD2 PHE 56 1HD PHE 56 -0.884 4.095 -8.311 413 HE1 PHE 56 2HE PHE 56 0.526 4.570 -3.622 414 HE2 PHE 56 1HE PHE 56 -2.575 4.269 -6.532 415 HZ PHE 56 HZ PHE 56 -1.871 4.505 -4.184 416 H ILE 57 H ILE 57 2.727 1.264 -10.172 417 HA ILE 57 HA ILE 57 5.423 1.503 -10.780 418 HB ILE 57 HB ILE 57 3.198 1.072 -12.777 419 HG12 ILE 57 1HG1 ILE 57 4.056 -1.403 -12.292 420 HG13 ILE 57 2HG1 ILE 57 4.451 -0.697 -10.728 421 HG21 ILE 57 1HG2 ILE 57 5.967 1.331 -13.128 422 HG22 ILE 57 2HG2 ILE 57 5.617 -0.391 -13.268 423 HG23 ILE 57 3HG2 ILE 57 4.781 0.765 -14.304 424 HD11 ILE 57 1HD1 ILE 57 1.794 0.046 -11.527 425 HD12 ILE 57 2HD1 ILE 57 1.996 -1.706 -11.562 426 HD13 ILE 57 3HD1 ILE 57 2.340 -0.808 -10.084 427 H GLN 58 H GLN 58 2.689 3.310 -12.175 428 HA GLN 58 HA GLN 58 4.604 5.210 -13.334 429 HB2 GLN 58 1HB GLN 58 1.663 4.797 -13.897 430 HB3 GLN 58 2HB GLN 58 2.674 6.007 -14.674 431 HG2 GLN 58 1HG GLN 58 3.198 3.050 -14.810 432 HG3 GLN 58 2HG GLN 58 2.279 3.947 -16.017 433 HE21 GLN 58 1HE2 GLN 58 3.519 4.043 -17.756 434 HE22 GLN 58 2HE2 GLN 58 5.168 4.555 -17.793 435 H ARG 59 H ARG 59 3.817 7.535 -13.361 436 HA ARG 59 HA ARG 59 3.364 8.348 -10.647 437 HB2 ARG 59 1HB ARG 59 4.840 9.504 -12.407 438 HB3 ARG 59 2HB ARG 59 3.342 10.171 -13.042 439 HG2 ARG 59 1HG ARG 59 2.894 11.149 -10.805 440 HG3 ARG 59 2HG ARG 59 4.485 10.586 -10.290 441 HD2 ARG 59 1HD ARG 59 4.310 12.202 -12.777 442 HD3 ARG 59 2HD ARG 59 4.096 13.031 -11.236 443 HE ARG 59 HE ARG 59 6.351 11.610 -10.838 444 HH11 ARG 59 2HH1 ARG 59 5.332 13.774 -13.367 445 HH12 ARG 59 1HH1 ARG 59 6.937 14.318 -13.728 446 HH21 ARG 59 2HH2 ARG 59 8.469 12.318 -11.304 447 HH22 ARG 59 1HH2 ARG 59 8.721 13.488 -12.555 448 H SER 60 H SER 60 1.544 8.603 -13.686 449 HA SER 60 HA SER 60 -0.633 10.057 -12.783 450 HB2 SER 60 1HB SER 60 -1.860 8.496 -14.575 451 HB3 SER 60 2HB SER 60 -0.743 9.773 -15.056 452 HG SER 60 HG SER 60 -0.550 7.280 -15.687 453 H HIS 61 H HIS 61 0.145 6.685 -12.318 454 HA HIS 61 HA HIS 61 -2.377 5.751 -11.511 455 HB2 HIS 61 1HB HIS 61 0.410 4.833 -10.792 456 HB3 HIS 61 2HB HIS 61 -1.048 3.970 -10.308 457 HD1 HIS 61 1HD HIS 61 -0.210 1.929 -11.723 458 HD2 HIS 61 2HD HIS 61 -1.029 5.359 -13.919 459 HE1 HIS 61 1HE HIS 61 -0.316 1.181 -14.121 460 H LEU 62 H LEU 62 0.090 7.552 -9.830 461 HA LEU 62 HA LEU 62 -1.233 7.203 -7.258 462 HB2 LEU 62 1HB LEU 62 1.235 7.159 -7.438 463 HB3 LEU 62 2HB LEU 62 1.197 8.839 -7.968 464 HG LEU 62 HG LEU 62 0.039 9.293 -5.706 465 HD11 LEU 62 1HD1 LEU 62 -0.316 6.859 -5.242 466 HD12 LEU 62 2HD1 LEU 62 0.468 7.756 -3.942 467 HD13 LEU 62 3HD1 LEU 62 1.425 6.717 -4.997 468 HD21 LEU 62 1HD2 LEU 62 2.071 10.275 -5.735 469 HD22 LEU 62 2HD2 LEU 62 2.882 8.832 -6.343 470 HD23 LEU 62 3HD2 LEU 62 2.482 8.963 -4.629 471 H ILE 63 H ILE 63 -0.711 9.657 -9.716 472 HA ILE 63 HA ILE 63 -1.459 11.967 -8.472 473 HB ILE 63 HB ILE 63 -2.276 11.066 -11.236 474 HG12 ILE 63 1HG1 ILE 63 0.044 12.758 -10.280 475 HG13 ILE 63 2HG1 ILE 63 0.152 11.099 -10.856 476 HG21 ILE 63 1HG2 ILE 63 -1.976 13.907 -10.929 477 HG22 ILE 63 2HG2 ILE 63 -3.354 12.985 -11.527 478 HG23 ILE 63 3HG2 ILE 63 -3.180 13.289 -9.799 479 HD11 ILE 63 1HD1 ILE 63 0.693 12.099 -12.788 480 HD12 ILE 63 2HD1 ILE 63 -1.055 12.259 -12.962 481 HD13 ILE 63 3HD1 ILE 63 -0.102 13.612 -12.352 482 H GLY 64 H GLY 64 -3.634 9.489 -9.799 483 HA2 GLY 64 1HA GLY 64 -6.008 10.898 -9.004 484 HA3 GLY 64 2HA GLY 64 -5.927 9.255 -9.623 485 H HIS 65 H HIS 65 -4.057 8.304 -7.642 486 HA HIS 65 HA HIS 65 -5.758 7.293 -5.728 487 HB2 HIS 65 1HB HIS 65 -3.624 6.270 -6.038 488 HB3 HIS 65 2HB HIS 65 -2.777 7.759 -5.631 489 HD1 HIS 65 1HD HIS 65 -5.401 5.713 -3.768 490 HD2 HIS 65 2HD HIS 65 -1.649 7.408 -3.210 491 HE1 HIS 65 1HE HIS 65 -4.786 5.213 -1.382 492 H HIS 66 H HIS 66 -3.951 10.303 -5.690 493 HA HIS 66 HA HIS 66 -4.191 10.993 -3.008 494 HB2 HIS 66 1HB HIS 66 -4.003 12.608 -5.532 495 HB3 HIS 66 2HB HIS 66 -4.225 13.410 -3.980 496 HD1 HIS 66 1HD HIS 66 -1.824 10.908 -5.549 497 HD2 HIS 66 2HD HIS 66 -1.897 13.941 -2.710 498 HE1 HIS 66 1HE HIS 66 0.558 11.174 -4.787 499 H ARG 67 H ARG 67 -6.535 11.141 -5.599 500 HA ARG 67 HA ARG 67 -8.429 12.683 -4.055 501 HB2 ARG 67 1HB ARG 67 -8.361 11.497 -6.791 502 HB3 ARG 67 2HB ARG 67 -9.929 11.854 -6.081 503 HG2 ARG 67 1HG ARG 67 -9.502 13.801 -7.201 504 HG3 ARG 67 2HG ARG 67 -8.851 14.188 -5.607 505 HD2 ARG 67 1HD ARG 67 -6.607 13.489 -6.425 506 HD3 ARG 67 2HD ARG 67 -7.304 13.283 -8.032 507 HE ARG 67 HE ARG 67 -7.930 15.853 -7.251 508 HH11 ARG 67 2HH1 ARG 67 -5.038 13.990 -7.785 509 HH12 ARG 67 1HH1 ARG 67 -4.087 15.359 -8.257 510 HH21 ARG 67 2HH2 ARG 67 -6.689 17.663 -7.871 511 HH22 ARG 67 1HH2 ARG 67 -5.027 17.448 -8.305 512 H VAL 68 H VAL 68 -7.413 9.924 -3.241 513 HA VAL 68 HA VAL 68 -9.982 8.506 -3.098 514 HB VAL 68 HB VAL 68 -7.219 7.479 -2.434 515 HG11 VAL 68 1HG1 VAL 68 -9.935 6.204 -2.471 516 HG12 VAL 68 2HG1 VAL 68 -8.461 5.251 -2.648 517 HG13 VAL 68 3HG1 VAL 68 -8.729 6.200 -1.185 518 HG21 VAL 68 1HG2 VAL 68 -7.608 8.026 -4.847 519 HG22 VAL 68 2HG2 VAL 68 -7.249 6.329 -4.526 520 HG23 VAL 68 3HG2 VAL 68 -8.909 6.835 -4.844 521 H HIS 69 H HIS 69 -7.337 9.742 -1.107 522 HA HIS 69 HA HIS 69 -8.629 8.955 1.355 523 HB2 HIS 69 1HB HIS 69 -6.172 10.640 0.832 524 HB3 HIS 69 2HB HIS 69 -6.730 10.158 2.431 525 HD1 HIS 69 1HD HIS 69 -7.118 7.302 2.418 526 HD2 HIS 69 2HD HIS 69 -4.175 9.020 0.043 527 HE1 HIS 69 1HE HIS 69 -5.484 5.454 1.932 528 H THR 70 H THR 70 -10.055 10.116 2.464 529 HA THR 70 HA THR 70 -10.390 12.957 1.757 530 HB THR 70 HB THR 70 -12.735 12.673 2.657 531 HG1 THR 70 1HG THR 70 -13.129 10.819 3.582 532 HG21 THR 70 1HG2 THR 70 -12.841 10.792 0.481 533 HG22 THR 70 2HG2 THR 70 -11.657 12.054 0.142 534 HG23 THR 70 3HG2 THR 70 -13.325 12.487 0.515 535 H GLY 71 H GLY 71 -9.538 14.240 3.261 536 HA2 GLY 71 1HA GLY 71 -10.348 14.801 5.711 537 HA3 GLY 71 2HA GLY 71 -9.424 13.343 6.040 538 H SER 72 H SER 72 -7.665 14.041 7.089 539 HA SER 72 HA SER 72 -5.652 15.464 5.672 540 HB2 SER 72 1HB SER 72 -5.531 17.484 6.960 541 HB3 SER 72 2HB SER 72 -7.191 17.335 6.383 542 HG SER 72 HG SER 72 -7.734 16.485 8.447 543 H GLY 73 H GLY 73 -3.642 15.544 6.815 544 HA2 GLY 73 1HA GLY 73 -2.928 13.336 8.231 545 HA3 GLY 73 2HA GLY 73 -2.092 14.874 8.389 546 HA PRO 74 HA PRO 74 -5.005 13.782 12.135 547 HB2 PRO 74 1HB PRO 74 -3.937 11.566 13.283 548 HB3 PRO 74 2HB PRO 74 -5.243 11.497 12.093 549 HG2 PRO 74 1HG PRO 74 -2.305 11.068 11.709 550 HG3 PRO 74 2HG PRO 74 -3.667 10.146 11.044 551 HD2 PRO 74 1HD PRO 74 -2.321 12.001 9.602 552 HD3 PRO 74 2HD PRO 74 -4.051 11.682 9.369 553 H SER 75 H SER 75 -4.458 14.946 13.870 554 HA SER 75 HA SER 75 -1.721 15.686 14.313 555 HB2 SER 75 1HB SER 75 -3.576 17.297 14.602 556 HB3 SER 75 2HB SER 75 -4.182 16.339 15.953 557 HG SER 75 HG SER 75 -1.936 16.690 16.814 558 H SER 76 H SER 76 -4.155 13.827 16.101 559 HA SER 76 HA SER 76 -2.060 12.310 17.400 560 HB2 SER 76 1HB SER 76 -2.330 14.267 18.893 561 HB3 SER 76 2HB SER 76 -4.044 13.887 19.059 562 HG SER 76 HG SER 76 -3.575 12.257 20.342 563 H GLY 77 H GLY 77 -2.699 10.293 17.043 564 HA2 GLY 77 1HA GLY 77 -4.668 8.893 18.162 565 HA3 GLY 77 2HA GLY 77 -5.537 9.666 16.845 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -29.968 -10.810 0.265 2 HA2 GLY 1 1HA GLY 1 -31.665 -9.911 2.468 3 HA3 GLY 1 2HA GLY 1 -30.025 -10.397 2.873 4 H SER 2 H SER 2 -29.607 -8.267 3.617 5 HA SER 2 HA SER 2 -29.040 -6.393 1.423 6 HB2 SER 2 1HB SER 2 -30.520 -5.872 3.979 7 HB3 SER 2 2HB SER 2 -29.568 -4.581 3.245 8 HG SER 2 HG SER 2 -30.999 -4.404 1.705 9 H SER 3 H SER 3 -27.186 -5.157 1.640 10 HA SER 3 HA SER 3 -25.278 -6.167 3.608 11 HB2 SER 3 1HB SER 3 -24.911 -4.503 1.108 12 HB3 SER 3 2HB SER 3 -23.595 -4.953 2.192 13 HG SER 3 HG SER 3 -25.163 -6.588 0.521 14 H GLY 4 H GLY 4 -26.156 -2.984 2.240 15 HA2 GLY 4 1HA GLY 4 -26.651 -1.041 3.464 16 HA3 GLY 4 2HA GLY 4 -26.066 -1.834 4.919 17 H SER 5 H SER 5 -25.313 0.699 4.586 18 HA SER 5 HA SER 5 -22.466 0.502 4.443 19 HB2 SER 5 1HB SER 5 -22.158 2.177 2.634 20 HB3 SER 5 2HB SER 5 -22.886 0.681 2.050 21 HG SER 5 HG SER 5 -24.628 2.679 2.886 22 H SER 6 H SER 6 -21.594 1.941 5.798 23 HA SER 6 HA SER 6 -23.210 4.285 6.559 24 HB2 SER 6 1HB SER 6 -22.959 2.315 8.259 25 HB3 SER 6 2HB SER 6 -21.337 2.963 8.497 26 HG SER 6 HG SER 6 -23.663 3.858 9.479 27 H GLY 7 H GLY 7 -21.702 5.865 7.884 28 HA2 GLY 7 1HA GLY 7 -19.172 6.123 6.378 29 HA3 GLY 7 2HA GLY 7 -20.216 7.498 6.703 30 H ARG 8 H ARG 8 -17.752 7.892 7.468 31 HA ARG 8 HA ARG 8 -17.939 8.138 10.307 32 HB2 ARG 8 1HB ARG 8 -17.156 5.749 9.968 33 HB3 ARG 8 2HB ARG 8 -15.675 6.419 9.296 34 HG2 ARG 8 1HG ARG 8 -15.039 6.088 11.461 35 HG3 ARG 8 2HG ARG 8 -15.625 7.750 11.555 36 HD2 ARG 8 1HD ARG 8 -16.539 6.588 13.413 37 HD3 ARG 8 2HD ARG 8 -17.849 6.819 12.256 38 HE ARG 8 HE ARG 8 -16.979 4.381 11.597 39 HH11 ARG 8 2HH1 ARG 8 -17.715 5.799 14.690 40 HH12 ARG 8 1HH1 ARG 8 -18.198 4.298 15.409 41 HH21 ARG 8 2HH2 ARG 8 -17.613 2.400 12.532 42 HH22 ARG 8 1HH2 ARG 8 -18.139 2.365 14.181 43 H SER 9 H SER 9 -16.740 9.822 11.015 44 HA SER 9 HA SER 9 -14.607 10.846 9.274 45 HB2 SER 9 1HB SER 9 -16.979 12.367 10.345 46 HB3 SER 9 2HB SER 9 -15.488 13.186 9.878 47 HG SER 9 HG SER 9 -16.173 11.496 7.937 48 H GLU 10 H GLU 10 -12.815 11.462 10.324 49 HA GLU 10 HA GLU 10 -12.971 11.763 13.252 50 HB2 GLU 10 1HB GLU 10 -10.723 10.757 13.389 51 HB3 GLU 10 2HB GLU 10 -11.909 9.646 12.718 52 HG2 GLU 10 1HG GLU 10 -11.062 10.462 10.431 53 HG3 GLU 10 2HG GLU 10 -9.679 11.078 11.334 54 H TRP 11 H TRP 11 -12.675 13.845 13.695 55 HA TRP 11 HA TRP 11 -10.552 15.288 12.247 56 HB2 TRP 11 1HB TRP 11 -11.826 17.219 12.182 57 HB3 TRP 11 2HB TRP 11 -13.069 15.986 11.994 58 HD1 TRP 11 HD TRP 11 -14.243 15.252 14.507 59 HE1 TRP 11 1HE TRP 11 -15.038 16.860 16.352 60 HE3 TRP 11 3HE TRP 11 -11.537 19.388 13.201 61 HZ2 TRP 11 2HZ TRP 11 -14.580 19.529 17.148 62 HZ3 TRP 11 3HZ TRP 11 -11.773 21.428 14.556 63 HH2 TRP 11 HH TRP 11 -13.264 21.495 16.488 64 H GLN 12 H GLN 12 -9.326 16.828 13.447 65 HA GLN 12 HA GLN 12 -8.241 17.669 15.270 66 HB2 GLN 12 1HB GLN 12 -10.640 17.906 16.145 67 HB3 GLN 12 2HB GLN 12 -10.334 16.423 17.040 68 HG2 GLN 12 1HG GLN 12 -8.837 17.420 18.457 69 HG3 GLN 12 2HG GLN 12 -8.411 18.678 17.297 70 HE21 GLN 12 1HE2 GLN 12 -10.695 17.645 19.702 71 HE22 GLN 12 2HE2 GLN 12 -11.496 19.164 19.888 72 H GLN 13 H GLN 13 -7.462 15.243 14.176 73 HA GLN 13 HA GLN 13 -6.474 13.826 16.560 74 HB2 GLN 13 1HB GLN 13 -8.088 12.392 15.485 75 HB3 GLN 13 2HB GLN 13 -7.332 12.643 13.917 76 HG2 GLN 13 1HG GLN 13 -5.311 11.508 14.734 77 HG3 GLN 13 2HG GLN 13 -6.122 11.210 16.270 78 HE21 GLN 13 1HE2 GLN 13 -8.472 10.282 15.795 79 HE22 GLN 13 2HE2 GLN 13 -8.466 8.893 14.768 80 H ARG 14 H ARG 14 -4.577 15.089 16.519 81 HA ARG 14 HA ARG 14 -2.927 15.294 14.207 82 HB2 ARG 14 1HB ARG 14 -2.864 16.927 16.063 83 HB3 ARG 14 2HB ARG 14 -2.201 15.685 17.116 84 HG2 ARG 14 1HG ARG 14 -0.148 15.694 16.057 85 HG3 ARG 14 2HG ARG 14 -0.803 16.389 14.573 86 HD2 ARG 14 1HD ARG 14 0.370 18.155 15.542 87 HD3 ARG 14 2HD ARG 14 -1.304 18.461 16.001 88 HE ARG 14 HE ARG 14 0.869 17.634 17.754 89 HH11 ARG 14 2HH1 ARG 14 -2.530 18.263 17.338 90 HH12 ARG 14 1HH1 ARG 14 -2.842 18.416 19.035 91 HH21 ARG 14 2HH2 ARG 14 0.470 17.833 19.991 92 HH22 ARG 14 1HH2 ARG 14 -1.135 18.172 20.543 93 H GLU 15 H GLU 15 -0.683 14.457 14.115 94 HA GLU 15 HA GLU 15 -0.601 11.678 15.083 95 HB2 GLU 15 1HB GLU 15 0.583 12.979 12.634 96 HB3 GLU 15 2HB GLU 15 1.086 11.389 13.191 97 HG2 GLU 15 1HG GLU 15 -1.717 12.162 12.413 98 HG3 GLU 15 2HG GLU 15 -0.581 11.262 11.409 99 H ARG 16 H ARG 16 0.653 11.469 16.812 100 HA ARG 16 HA ARG 16 3.294 12.751 16.786 101 HB2 ARG 16 1HB ARG 16 1.437 12.639 19.170 102 HB3 ARG 16 2HB ARG 16 3.089 13.244 19.188 103 HG2 ARG 16 1HG ARG 16 2.226 14.863 17.342 104 HG3 ARG 16 2HG ARG 16 0.640 14.462 18.004 105 HD2 ARG 16 1HD ARG 16 1.388 16.421 19.121 106 HD3 ARG 16 2HD ARG 16 1.534 15.086 20.263 107 HE ARG 16 HE ARG 16 3.938 15.657 18.776 108 HH11 ARG 16 2HH1 ARG 16 2.072 16.351 21.632 109 HH12 ARG 16 1HH1 ARG 16 3.434 16.914 22.543 110 HH21 ARG 16 2HH2 ARG 16 5.739 16.396 19.966 111 HH22 ARG 16 1HH2 ARG 16 5.519 16.940 21.594 112 H ARG 17 H ARG 17 4.198 10.756 16.195 113 HA ARG 17 HA ARG 17 3.933 8.577 18.147 114 HB2 ARG 17 1HB ARG 17 4.678 8.686 15.251 115 HB3 ARG 17 2HB ARG 17 5.271 7.357 16.239 116 HG2 ARG 17 1HG ARG 17 3.294 6.589 15.224 117 HG3 ARG 17 2HG ARG 17 2.873 6.941 16.901 118 HD2 ARG 17 1HD ARG 17 2.067 9.188 16.122 119 HD3 ARG 17 2HD ARG 17 2.295 8.620 14.468 120 HE ARG 17 HE ARG 17 0.391 7.358 14.670 121 HH11 ARG 17 2HH1 ARG 17 1.402 8.438 17.822 122 HH12 ARG 17 1HH1 ARG 17 -0.040 7.896 18.614 123 HH21 ARG 17 2HH2 ARG 17 -1.512 6.639 15.701 124 HH22 ARG 17 1HH2 ARG 17 -1.697 6.872 17.407 125 H ARG 18 H ARG 18 6.167 7.193 17.983 126 HA ARG 18 HA ARG 18 8.181 9.033 19.039 127 HB2 ARG 18 1HB ARG 18 7.639 6.105 19.361 128 HB3 ARG 18 2HB ARG 18 9.252 6.728 19.684 129 HG2 ARG 18 1HG ARG 18 7.909 8.459 21.154 130 HG3 ARG 18 2HG ARG 18 6.717 7.157 21.165 131 HD2 ARG 18 1HD ARG 18 9.610 6.714 21.853 132 HD3 ARG 18 2HD ARG 18 8.410 7.177 23.058 133 HE ARG 18 HE ARG 18 7.535 4.918 21.590 134 HH11 ARG 18 2HH1 ARG 18 9.764 5.882 24.084 135 HH12 ARG 18 1HH1 ARG 18 9.783 4.328 24.850 136 HH21 ARG 18 2HH2 ARG 18 7.551 2.868 22.590 137 HH22 ARG 18 1HH2 ARG 18 8.524 2.614 23.998 138 H TYR 19 H TYR 19 7.904 6.317 16.763 139 HA TYR 19 HA TYR 19 10.459 7.151 15.564 140 HB2 TYR 19 1HB TYR 19 9.099 4.510 15.075 141 HB3 TYR 19 2HB TYR 19 10.787 4.935 14.819 142 HD1 TYR 19 1HD TYR 19 11.461 6.219 17.390 143 HD2 TYR 19 2HD TYR 19 9.167 2.729 16.579 144 HE1 TYR 19 1HE TYR 19 12.024 5.339 19.616 145 HE2 TYR 19 2HE TYR 19 9.722 1.840 18.804 146 HH TYR 19 HH TYR 19 10.423 2.987 21.122 147 H LYS 20 H LYS 20 10.642 7.216 13.274 148 HA LYS 20 HA LYS 20 8.240 7.039 11.666 149 HB2 LYS 20 1HB LYS 20 8.171 9.333 12.640 150 HB3 LYS 20 2HB LYS 20 9.721 9.667 11.880 151 HG2 LYS 20 1HG LYS 20 8.819 9.665 9.743 152 HG3 LYS 20 2HG LYS 20 7.385 8.764 10.244 153 HD2 LYS 20 1HD LYS 20 6.753 10.773 11.632 154 HD3 LYS 20 2HD LYS 20 8.056 11.644 10.822 155 HE2 LYS 20 1HE LYS 20 6.920 10.880 8.642 156 HE3 LYS 20 2HE LYS 20 5.525 10.529 9.661 157 HZ1 LYS 20 1HZ LYS 20 5.857 12.927 10.478 158 HZ2 LYS 20 2HZ LYS 20 5.144 12.683 8.964 159 HZ3 LYS 20 3HZ LYS 20 6.771 13.133 9.068 160 H CYS 21 H CYS 21 8.729 7.517 9.334 161 HA CYS 21 HA CYS 21 11.507 6.750 8.714 162 HB2 CYS 21 1HB CYS 21 9.659 5.044 8.258 163 HB3 CYS 21 2HB CYS 21 9.116 6.130 6.984 164 H ASP 22 H ASP 22 11.878 9.108 8.714 165 HA ASP 22 HA ASP 22 10.782 11.064 7.245 166 HB2 ASP 22 1HB ASP 22 12.763 11.531 8.494 167 HB3 ASP 22 2HB ASP 22 13.715 10.409 7.525 168 H GLU 23 H GLU 23 12.592 8.349 5.958 169 HA GLU 23 HA GLU 23 13.135 9.121 3.393 170 HB2 GLU 23 1HB GLU 23 12.262 6.485 4.534 171 HB3 GLU 23 2HB GLU 23 12.552 6.657 2.808 172 HG2 GLU 23 1HG GLU 23 14.579 7.334 4.924 173 HG3 GLU 23 2HG GLU 23 14.480 5.772 4.112 174 H CYS 24 H CYS 24 10.066 7.736 4.548 175 HA CYS 24 HA CYS 24 8.777 8.807 2.124 176 HB2 CYS 24 1HB CYS 24 6.988 7.034 2.693 177 HB3 CYS 24 2HB CYS 24 8.502 6.486 1.981 178 H GLY 25 H GLY 25 8.240 8.101 5.571 179 HA2 GLY 25 1HA GLY 25 7.460 10.114 6.856 180 HA3 GLY 25 2HA GLY 25 6.247 10.284 5.595 181 H LYS 26 H LYS 26 7.269 7.210 6.946 182 HA LYS 26 HA LYS 26 4.540 6.838 7.968 183 HB2 LYS 26 1HB LYS 26 5.782 5.259 6.240 184 HB3 LYS 26 2HB LYS 26 6.468 4.574 7.707 185 HG2 LYS 26 1HG LYS 26 4.289 4.023 8.541 186 HG3 LYS 26 2HG LYS 26 3.516 4.868 7.198 187 HD2 LYS 26 1HD LYS 26 4.602 3.266 5.639 188 HD3 LYS 26 2HD LYS 26 5.222 2.384 7.036 189 HE2 LYS 26 1HE LYS 26 3.316 1.190 6.634 190 HE3 LYS 26 2HE LYS 26 2.680 2.406 7.741 191 HZ1 LYS 26 1HZ LYS 26 1.622 1.855 5.352 192 HZ2 LYS 26 2HZ LYS 26 2.636 3.144 4.941 193 HZ3 LYS 26 3HZ LYS 26 1.453 3.345 6.134 194 H SER 27 H SER 27 4.213 5.829 10.011 195 HA SER 27 HA SER 27 6.521 6.007 11.833 196 HB2 SER 27 1HB SER 27 4.864 6.746 13.595 197 HB3 SER 27 2HB SER 27 5.157 7.919 12.311 198 HG SER 27 HG SER 27 2.899 7.551 12.870 199 H PHE 28 H PHE 28 6.573 4.539 13.560 200 HA PHE 28 HA PHE 28 4.563 2.403 13.536 201 HB2 PHE 28 1HB PHE 28 7.522 1.820 13.660 202 HB3 PHE 28 2HB PHE 28 6.202 0.667 13.485 203 HD1 PHE 28 1HD PHE 28 7.848 3.517 11.759 204 HD2 PHE 28 2HD PHE 28 5.553 -0.048 11.380 205 HE1 PHE 28 1HE PHE 28 8.079 3.632 9.312 206 HE2 PHE 28 2HE PHE 28 5.781 0.062 8.932 207 HZ PHE 28 HZ PHE 28 7.046 1.903 7.895 208 H SER 29 H SER 29 4.334 1.274 15.494 209 HA SER 29 HA SER 29 4.984 2.835 17.819 210 HB2 SER 29 1HB SER 29 3.640 0.127 17.644 211 HB3 SER 29 2HB SER 29 3.655 1.195 19.047 212 HG SER 29 HG SER 29 2.702 2.748 17.352 213 H HIS 30 H HIS 30 5.993 -0.255 16.452 214 HA HIS 30 HA HIS 30 7.955 -0.555 18.619 215 HB2 HIS 30 1HB HIS 30 6.248 -2.416 17.788 216 HB3 HIS 30 2HB HIS 30 7.513 -2.701 16.595 217 HD1 HIS 30 1HD HIS 30 9.448 -4.099 17.325 218 HD2 HIS 30 2HD HIS 30 7.183 -2.740 20.532 219 HE1 HIS 30 1HE HIS 30 10.381 -5.265 19.348 220 H SER 31 H SER 31 9.972 0.039 18.223 221 HA SER 31 HA SER 31 10.931 1.044 15.839 222 HB2 SER 31 1HB SER 31 12.044 1.416 17.995 223 HB3 SER 31 2HB SER 31 12.527 -0.279 18.048 224 HG SER 31 HG SER 31 13.437 0.441 15.797 225 H SER 32 H SER 32 11.347 -2.236 17.143 226 HA SER 32 HA SER 32 12.997 -3.404 15.350 227 HB2 SER 32 1HB SER 32 11.504 -4.403 17.305 228 HB3 SER 32 2HB SER 32 10.484 -4.901 15.955 229 HG SER 32 HG SER 32 12.893 -5.884 16.776 230 H ASP 33 H ASP 33 9.543 -2.784 14.848 231 HA ASP 33 HA ASP 33 9.378 -3.971 12.292 232 HB2 ASP 33 1HB ASP 33 7.696 -1.842 13.622 233 HB3 ASP 33 2HB ASP 33 7.298 -2.563 12.065 234 H LEU 34 H LEU 34 9.435 -0.506 13.152 235 HA LEU 34 HA LEU 34 9.579 0.688 10.752 236 HB2 LEU 34 1HB LEU 34 9.681 2.068 12.639 237 HB3 LEU 34 2HB LEU 34 11.120 1.259 13.259 238 HG LEU 34 HG LEU 34 12.378 2.262 11.314 239 HD11 LEU 34 1HD1 LEU 34 11.192 4.425 10.511 240 HD12 LEU 34 2HD1 LEU 34 9.715 3.567 10.948 241 HD13 LEU 34 3HD1 LEU 34 10.806 2.885 9.742 242 HD21 LEU 34 1HD2 LEU 34 11.690 3.309 13.804 243 HD22 LEU 34 2HD2 LEU 34 11.501 4.650 12.674 244 HD23 LEU 34 3HD2 LEU 34 13.041 3.795 12.780 245 H SER 35 H SER 35 12.179 -1.126 12.271 246 HA SER 35 HA SER 35 14.247 -0.423 10.503 247 HB2 SER 35 1HB SER 35 13.816 -2.926 12.146 248 HB3 SER 35 2HB SER 35 15.306 -2.572 11.272 249 HG SER 35 HG SER 35 14.239 -1.359 13.552 250 H LYS 36 H LYS 36 12.201 -3.345 10.531 251 HA LYS 36 HA LYS 36 13.138 -4.425 8.129 252 HB2 LYS 36 1HB LYS 36 11.492 -6.005 8.364 253 HB3 LYS 36 2HB LYS 36 11.538 -5.376 10.006 254 HG2 LYS 36 1HG LYS 36 9.648 -3.876 9.425 255 HG3 LYS 36 2HG LYS 36 9.560 -4.669 7.851 256 HD2 LYS 36 1HD LYS 36 8.787 -6.649 8.743 257 HD3 LYS 36 2HD LYS 36 9.491 -6.331 10.330 258 HE2 LYS 36 1HE LYS 36 7.801 -4.721 10.835 259 HE3 LYS 36 2HE LYS 36 7.188 -4.764 9.182 260 HZ1 LYS 36 1HZ LYS 36 6.735 -7.209 9.649 261 HZ2 LYS 36 2HZ LYS 36 5.718 -6.079 10.391 262 HZ3 LYS 36 3HZ LYS 36 6.945 -6.827 11.283 263 H HIS 37 H HIS 37 10.643 -2.039 8.772 264 HA HIS 37 HA HIS 37 9.384 -1.992 6.284 265 HB2 HIS 37 1HB HIS 37 8.273 -0.738 7.880 266 HB3 HIS 37 2HB HIS 37 9.752 0.008 8.477 267 HD1 HIS 37 1HD HIS 37 7.353 0.218 5.561 268 HD2 HIS 37 2HD HIS 37 10.326 2.461 7.403 269 HE1 HIS 37 1HE HIS 37 7.270 2.478 4.460 270 H ARG 38 H ARG 38 11.988 0.160 7.440 271 HA ARG 38 HA ARG 38 12.491 1.656 5.251 272 HB2 ARG 38 1HB ARG 38 14.236 0.506 7.358 273 HB3 ARG 38 2HB ARG 38 15.041 1.175 5.944 274 HG2 ARG 38 1HG ARG 38 14.971 2.970 7.392 275 HG3 ARG 38 2HG ARG 38 13.560 3.247 6.368 276 HD2 ARG 38 1HD ARG 38 12.824 3.622 8.573 277 HD3 ARG 38 2HD ARG 38 12.216 2.026 8.136 278 HE ARG 38 HE ARG 38 13.448 1.170 9.847 279 HH11 ARG 38 2HH1 ARG 38 14.842 4.218 8.907 280 HH12 ARG 38 1HH1 ARG 38 16.031 4.211 10.167 281 HH21 ARG 38 2HH2 ARG 38 15.009 1.149 11.510 282 HH22 ARG 38 1HH2 ARG 38 16.126 2.465 11.646 283 H ARG 39 H ARG 39 12.969 -1.755 5.533 284 HA ARG 39 HA ARG 39 14.847 -2.221 3.527 285 HB2 ARG 39 1HB ARG 39 12.472 -3.959 4.220 286 HB3 ARG 39 2HB ARG 39 13.945 -4.477 3.412 287 HG2 ARG 39 1HG ARG 39 14.182 -3.219 6.092 288 HG3 ARG 39 2HG ARG 39 13.567 -4.869 5.986 289 HD2 ARG 39 1HD ARG 39 15.913 -5.035 6.285 290 HD3 ARG 39 2HD ARG 39 15.589 -5.418 4.595 291 HE ARG 39 HE ARG 39 16.171 -2.663 4.907 292 HH11 ARG 39 2HH1 ARG 39 17.669 -5.805 4.858 293 HH12 ARG 39 1HH1 ARG 39 19.203 -5.209 4.317 294 HH21 ARG 39 2HH2 ARG 39 18.186 -1.866 4.196 295 HH22 ARG 39 1HH2 ARG 39 19.497 -2.968 3.942 296 H THR 40 H THR 40 11.313 -1.969 3.308 297 HA THR 40 HA THR 40 10.828 -2.627 0.719 298 HB THR 40 HB THR 40 9.038 -1.920 2.204 299 HG1 THR 40 1HG THR 40 7.900 -1.291 0.527 300 HG21 THR 40 1HG2 THR 40 10.675 0.394 2.535 301 HG22 THR 40 2HG2 THR 40 9.213 -0.057 3.411 302 HG23 THR 40 3HG2 THR 40 9.096 0.899 1.934 303 H HIS 41 H HIS 41 12.582 0.139 1.863 304 HA HIS 41 HA HIS 41 12.504 1.518 -0.678 305 HB2 HIS 41 1HB HIS 41 14.069 2.055 1.853 306 HB3 HIS 41 2HB HIS 41 14.092 3.094 0.431 307 HD1 HIS 41 1HD HIS 41 11.919 4.447 -0.079 308 HD2 HIS 41 2HD HIS 41 11.830 2.301 3.477 309 HE1 HIS 41 1HE HIS 41 9.957 5.355 1.206 310 H THR 42 H THR 42 13.391 -0.120 -2.033 311 HA THR 42 HA THR 42 16.318 -0.362 -1.789 312 HB THR 42 HB THR 42 16.095 -2.568 -2.982 313 HG1 THR 42 1HG THR 42 13.460 -1.821 -2.877 314 HG21 THR 42 1HG2 THR 42 16.527 -3.145 -0.855 315 HG22 THR 42 2HG2 THR 42 14.808 -3.527 -0.757 316 HG23 THR 42 3HG2 THR 42 15.395 -1.958 -0.209 317 H GLY 43 H GLY 43 13.602 0.412 -3.744 318 HA2 GLY 43 1HA GLY 43 13.899 1.836 -5.657 319 HA3 GLY 43 2HA GLY 43 15.428 1.026 -5.971 320 H GLU 44 H GLU 44 12.022 0.044 -5.547 321 HA GLU 44 HA GLU 44 12.341 -1.674 -7.918 322 HB2 GLU 44 1HB GLU 44 11.855 -2.958 -5.921 323 HB3 GLU 44 2HB GLU 44 10.469 -1.939 -5.561 324 HG2 GLU 44 1HG GLU 44 9.421 -2.715 -7.673 325 HG3 GLU 44 2HG GLU 44 10.769 -3.833 -7.878 326 H LYS 45 H LYS 45 9.916 0.285 -6.194 327 HA LYS 45 HA LYS 45 8.487 0.660 -8.730 328 HB2 LYS 45 1HB LYS 45 7.692 0.830 -5.851 329 HB3 LYS 45 2HB LYS 45 6.780 1.743 -7.046 330 HG2 LYS 45 1HG LYS 45 5.892 -0.122 -8.002 331 HG3 LYS 45 2HG LYS 45 7.279 -1.131 -7.586 332 HD2 LYS 45 1HD LYS 45 5.515 -0.053 -5.425 333 HD3 LYS 45 2HD LYS 45 5.009 -1.469 -6.350 334 HE2 LYS 45 1HE LYS 45 7.042 -2.636 -5.724 335 HE3 LYS 45 2HE LYS 45 7.626 -1.207 -4.872 336 HZ1 LYS 45 1HZ LYS 45 6.741 -2.554 -3.215 337 HZ2 LYS 45 2HZ LYS 45 5.396 -3.000 -4.138 338 HZ3 LYS 45 3HZ LYS 45 5.505 -1.435 -3.505 339 HA PRO 46 HA PRO 46 10.302 4.718 -8.934 340 HB2 PRO 46 1HB PRO 46 8.959 5.519 -11.153 341 HB3 PRO 46 2HB PRO 46 10.338 4.415 -11.211 342 HG2 PRO 46 1HG PRO 46 7.411 3.796 -11.307 343 HG3 PRO 46 2HG PRO 46 8.731 3.113 -12.274 344 HD2 PRO 46 1HD PRO 46 7.666 1.822 -10.145 345 HD3 PRO 46 2HD PRO 46 9.375 1.663 -10.601 346 H TYR 47 H TYR 47 7.118 3.882 -8.216 347 HA TYR 47 HA TYR 47 6.436 6.697 -7.673 348 HB2 TYR 47 1HB TYR 47 4.468 4.474 -8.239 349 HB3 TYR 47 2HB TYR 47 4.108 6.186 -8.049 350 HD1 TYR 47 2HD TYR 47 4.702 7.784 -9.821 351 HD2 TYR 47 1HD TYR 47 5.333 3.605 -10.308 352 HE1 TYR 47 2HE TYR 47 4.958 8.111 -12.245 353 HE2 TYR 47 1HE TYR 47 5.592 3.920 -12.733 354 HH TYR 47 HH TYR 47 5.906 7.037 -14.157 355 H LYS 48 H LYS 48 5.763 7.217 -5.658 356 HA LYS 48 HA LYS 48 4.739 5.348 -3.782 357 HB2 LYS 48 1HB LYS 48 7.255 4.824 -3.893 358 HB3 LYS 48 2HB LYS 48 7.483 6.365 -3.077 359 HG2 LYS 48 1HG LYS 48 5.826 5.445 -1.337 360 HG3 LYS 48 2HG LYS 48 6.172 3.874 -2.064 361 HD2 LYS 48 1HD LYS 48 8.632 4.433 -1.711 362 HD3 LYS 48 2HD LYS 48 8.072 5.755 -0.684 363 HE2 LYS 48 1HE LYS 48 8.479 3.977 0.791 364 HE3 LYS 48 2HE LYS 48 6.730 3.989 0.571 365 HZ1 LYS 48 1HZ LYS 48 7.963 2.343 -1.376 366 HZ2 LYS 48 2HZ LYS 48 6.801 1.934 -0.217 367 HZ3 LYS 48 3HZ LYS 48 8.446 1.864 0.173 368 H CYS 49 H CYS 49 3.537 6.434 -2.357 369 HA CYS 49 HA CYS 49 3.663 9.327 -2.339 370 HB2 CYS 49 1HB CYS 49 1.482 8.233 -2.459 371 HB3 CYS 49 2HB CYS 49 1.792 7.407 -0.935 372 H ASP 50 H ASP 50 4.037 10.623 -0.543 373 HA ASP 50 HA ASP 50 5.741 9.411 1.480 374 HB2 ASP 50 1HB ASP 50 5.093 12.293 0.836 375 HB3 ASP 50 2HB ASP 50 6.162 11.796 2.145 376 H GLU 51 H GLU 51 2.904 11.570 1.412 377 HA GLU 51 HA GLU 51 2.319 11.891 4.017 378 HB2 GLU 51 1HB GLU 51 0.474 11.281 1.720 379 HB3 GLU 51 2HB GLU 51 -0.150 11.612 3.330 380 HG2 GLU 51 1HG GLU 51 1.727 13.507 1.970 381 HG3 GLU 51 2HG GLU 51 -0.007 13.542 1.657 382 H CYS 52 H CYS 52 0.867 9.170 2.223 383 HA CYS 52 HA CYS 52 0.298 7.754 4.652 384 HB2 CYS 52 1HB CYS 52 -0.376 5.915 3.006 385 HB3 CYS 52 2HB CYS 52 -1.277 7.425 2.927 386 H GLY 53 H GLY 53 2.427 7.114 1.862 387 HA2 GLY 53 1HA GLY 53 4.697 6.381 2.193 388 HA3 GLY 53 2HA GLY 53 4.184 5.607 3.685 389 H LYS 54 H LYS 54 2.574 5.422 0.549 390 HA LYS 54 HA LYS 54 3.132 2.529 0.536 391 HB2 LYS 54 1HB LYS 54 0.702 3.496 0.775 392 HB3 LYS 54 2HB LYS 54 0.837 3.737 -0.962 393 HG2 LYS 54 1HG LYS 54 1.454 1.288 -1.118 394 HG3 LYS 54 2HG LYS 54 0.943 1.154 0.567 395 HD2 LYS 54 1HD LYS 54 -1.256 2.187 -0.175 396 HD3 LYS 54 2HD LYS 54 -0.714 1.907 -1.831 397 HE2 LYS 54 1HE LYS 54 -0.398 -0.506 -1.210 398 HE3 LYS 54 2HE LYS 54 -1.191 -0.145 0.323 399 HZ1 LYS 54 1HZ LYS 54 -2.402 0.248 -2.360 400 HZ2 LYS 54 2HZ LYS 54 -3.161 0.527 -0.874 401 HZ3 LYS 54 3HZ LYS 54 -2.732 -1.047 -1.321 402 H ALA 55 H ALA 55 3.317 1.511 -1.577 403 HA ALA 55 HA ALA 55 4.489 3.343 -3.564 404 HB1 ALA 55 1HB ALA 55 6.018 1.673 -2.471 405 HB2 ALA 55 2HB ALA 55 5.098 0.409 -3.287 406 HB3 ALA 55 3HB ALA 55 5.970 1.614 -4.233 407 H PHE 56 H PHE 56 4.284 2.679 -5.833 408 HA PHE 56 HA PHE 56 2.070 0.892 -6.450 409 HB2 PHE 56 1HB PHE 56 2.051 3.709 -7.530 410 HB3 PHE 56 2HB PHE 56 0.779 2.496 -7.643 411 HD1 PHE 56 1HD PHE 56 -0.424 1.811 -5.537 412 HD2 PHE 56 2HD PHE 56 2.140 5.203 -5.734 413 HE1 PHE 56 1HE PHE 56 -1.467 2.714 -3.500 414 HE2 PHE 56 2HE PHE 56 1.102 6.110 -3.696 415 HZ PHE 56 HZ PHE 56 -0.704 4.865 -2.576 416 H ILE 57 H ILE 57 2.391 -0.193 -8.300 417 HA ILE 57 HA ILE 57 4.856 0.128 -9.702 418 HB ILE 57 HB ILE 57 2.479 -1.609 -10.377 419 HG12 ILE 57 1HG1 ILE 57 4.238 -3.358 -9.466 420 HG13 ILE 57 2HG1 ILE 57 4.865 -1.955 -8.608 421 HG21 ILE 57 1HG2 ILE 57 4.365 -0.971 -12.127 422 HG22 ILE 57 2HG2 ILE 57 5.233 -2.247 -11.275 423 HG23 ILE 57 3HG2 ILE 57 3.682 -2.594 -12.040 424 HD11 ILE 57 1HD1 ILE 57 3.083 -3.526 -7.517 425 HD12 ILE 57 2HD1 ILE 57 3.022 -1.780 -7.272 426 HD13 ILE 57 3HD1 ILE 57 1.956 -2.542 -8.452 427 H GLN 58 H GLN 58 1.444 0.556 -10.624 428 HA GLN 58 HA GLN 58 2.246 1.803 -13.128 429 HB2 GLN 58 1HB GLN 58 -0.379 0.919 -11.970 430 HB3 GLN 58 2HB GLN 58 -0.330 1.991 -13.363 431 HG2 GLN 58 1HG GLN 58 1.053 -0.676 -13.264 432 HG3 GLN 58 2HG GLN 58 -0.577 -0.436 -13.891 433 HE21 GLN 58 1HE2 GLN 58 0.089 -1.170 -15.930 434 HE22 GLN 58 2HE2 GLN 58 1.020 -0.172 -16.990 435 H ARG 59 H ARG 59 1.160 3.856 -13.778 436 HA ARG 59 HA ARG 59 1.646 5.856 -11.790 437 HB2 ARG 59 1HB ARG 59 1.941 5.931 -14.405 438 HB3 ARG 59 2HB ARG 59 0.266 6.464 -14.372 439 HG2 ARG 59 1HG ARG 59 0.772 8.465 -13.413 440 HG3 ARG 59 2HG ARG 59 2.189 7.830 -12.574 441 HD2 ARG 59 1HD ARG 59 2.965 9.305 -14.277 442 HD3 ARG 59 2HD ARG 59 3.322 7.658 -14.797 443 HE ARG 59 HE ARG 59 0.821 8.687 -15.784 444 HH11 ARG 59 2HH1 ARG 59 4.248 8.437 -16.340 445 HH12 ARG 59 1HH1 ARG 59 4.120 8.673 -18.051 446 HH21 ARG 59 2HH2 ARG 59 0.639 8.999 -18.036 447 HH22 ARG 59 1HH2 ARG 59 2.067 8.994 -19.015 448 H SER 60 H SER 60 -1.258 5.083 -13.718 449 HA SER 60 HA SER 60 -3.103 6.700 -12.579 450 HB2 SER 60 1HB SER 60 -3.422 4.901 -14.392 451 HB3 SER 60 2HB SER 60 -3.759 3.798 -13.058 452 HG SER 60 HG SER 60 -5.425 5.277 -12.415 453 H HIS 61 H HIS 61 -2.262 3.467 -11.338 454 HA HIS 61 HA HIS 61 -3.842 3.162 -9.200 455 HB2 HIS 61 1HB HIS 61 -0.843 2.763 -9.181 456 HB3 HIS 61 2HB HIS 61 -1.964 2.060 -8.019 457 HD1 HIS 61 1HD HIS 61 -0.609 -0.115 -9.167 458 HD2 HIS 61 2HD HIS 61 -3.622 1.736 -11.350 459 HE1 HIS 61 1HE HIS 61 -1.306 -1.792 -10.907 460 H LEU 62 H LEU 62 -1.060 5.346 -9.319 461 HA LEU 62 HA LEU 62 -1.518 6.271 -6.616 462 HB2 LEU 62 1HB LEU 62 0.742 6.208 -7.188 463 HB3 LEU 62 2HB LEU 62 0.455 6.929 -8.771 464 HG LEU 62 HG LEU 62 -0.218 9.032 -7.382 465 HD11 LEU 62 1HD1 LEU 62 1.128 7.285 -5.387 466 HD12 LEU 62 2HD1 LEU 62 -0.199 8.428 -5.179 467 HD13 LEU 62 3HD1 LEU 62 1.454 9.018 -5.350 468 HD21 LEU 62 1HD2 LEU 62 2.280 8.030 -8.425 469 HD22 LEU 62 2HD2 LEU 62 2.548 9.143 -7.083 470 HD23 LEU 62 3HD2 LEU 62 1.608 9.660 -8.484 471 H ILE 63 H ILE 63 -2.132 7.352 -9.893 472 HA ILE 63 HA ILE 63 -2.694 10.014 -9.561 473 HB ILE 63 HB ILE 63 -4.226 8.045 -11.263 474 HG12 ILE 63 1HG1 ILE 63 -1.825 8.099 -11.754 475 HG13 ILE 63 2HG1 ILE 63 -2.747 8.823 -13.068 476 HG21 ILE 63 1HG2 ILE 63 -5.552 10.012 -11.046 477 HG22 ILE 63 2HG2 ILE 63 -4.151 11.054 -11.292 478 HG23 ILE 63 3HG2 ILE 63 -4.769 10.077 -12.624 479 HD11 ILE 63 1HD1 ILE 63 -1.347 10.534 -12.934 480 HD12 ILE 63 2HD1 ILE 63 -2.146 10.957 -11.419 481 HD13 ILE 63 3HD1 ILE 63 -0.686 9.967 -11.400 482 H GLY 64 H GLY 64 -5.083 7.372 -9.280 483 HA2 GLY 64 1HA GLY 64 -7.135 9.059 -8.273 484 HA3 GLY 64 2HA GLY 64 -7.128 7.302 -8.230 485 H HIS 65 H HIS 65 -4.808 6.902 -6.699 486 HA HIS 65 HA HIS 65 -5.762 6.893 -4.126 487 HB2 HIS 65 1HB HIS 65 -3.900 5.550 -4.410 488 HB3 HIS 65 2HB HIS 65 -3.007 6.791 -5.284 489 HD1 HIS 65 1HD HIS 65 -3.694 5.511 -1.864 490 HD2 HIS 65 2HD HIS 65 -1.655 8.660 -3.650 491 HE1 HIS 65 1HE HIS 65 -2.245 6.486 -0.055 492 H HIS 66 H HIS 66 -3.830 9.397 -5.711 493 HA HIS 66 HA HIS 66 -3.105 11.061 -3.727 494 HB2 HIS 66 1HB HIS 66 -4.135 11.555 -6.473 495 HB3 HIS 66 2HB HIS 66 -3.996 12.947 -5.402 496 HD1 HIS 66 1HD HIS 66 -1.897 10.289 -7.052 497 HD2 HIS 66 2HD HIS 66 -1.426 13.862 -4.984 498 HE1 HIS 66 1HE HIS 66 0.533 10.892 -7.295 499 H ARG 67 H ARG 67 -6.382 10.460 -4.783 500 HA ARG 67 HA ARG 67 -7.487 12.587 -3.160 501 HB2 ARG 67 1HB ARG 67 -8.555 10.578 -5.077 502 HB3 ARG 67 2HB ARG 67 -9.660 11.198 -3.856 503 HG2 ARG 67 1HG ARG 67 -9.131 13.496 -4.605 504 HG3 ARG 67 2HG ARG 67 -8.135 12.809 -5.890 505 HD2 ARG 67 1HD ARG 67 -10.168 13.205 -6.945 506 HD3 ARG 67 2HD ARG 67 -10.255 11.494 -6.529 507 HE ARG 67 HE ARG 67 -11.940 11.963 -5.032 508 HH11 ARG 67 2HH1 ARG 67 -10.486 14.922 -6.150 509 HH12 ARG 67 1HH1 ARG 67 -11.710 15.937 -5.463 510 HH21 ARG 67 2HH2 ARG 67 -13.559 13.289 -4.123 511 HH22 ARG 67 1HH2 ARG 67 -13.458 15.007 -4.309 512 H VAL 68 H VAL 68 -5.921 10.480 -1.855 513 HA VAL 68 HA VAL 68 -7.951 9.085 -0.267 514 HB VAL 68 HB VAL 68 -6.008 7.804 -1.204 515 HG11 VAL 68 1HG1 VAL 68 -4.174 9.234 -1.042 516 HG12 VAL 68 2HG1 VAL 68 -4.516 9.636 0.642 517 HG13 VAL 68 3HG1 VAL 68 -3.885 8.042 0.225 518 HG21 VAL 68 1HG2 VAL 68 -6.643 6.423 0.419 519 HG22 VAL 68 2HG2 VAL 68 -5.424 7.164 1.456 520 HG23 VAL 68 3HG2 VAL 68 -7.079 7.773 1.467 521 H HIS 69 H HIS 69 -5.986 11.833 -0.175 522 HA HIS 69 HA HIS 69 -6.134 11.958 2.763 523 HB2 HIS 69 1HB HIS 69 -4.403 13.688 0.997 524 HB3 HIS 69 2HB HIS 69 -4.284 13.463 2.740 525 HD1 HIS 69 1HD HIS 69 -3.395 11.075 3.535 526 HD2 HIS 69 2HD HIS 69 -2.946 11.921 -0.508 527 HE1 HIS 69 1HE HIS 69 -1.722 9.404 2.680 528 H THR 70 H THR 70 -8.371 12.600 2.622 529 HA THR 70 HA THR 70 -8.972 15.156 1.384 530 HB THR 70 HB THR 70 -11.274 14.771 2.124 531 HG1 THR 70 1HG THR 70 -10.022 12.784 3.641 532 HG21 THR 70 1HG2 THR 70 -11.779 12.943 0.703 533 HG22 THR 70 2HG2 THR 70 -10.208 12.194 0.988 534 HG23 THR 70 3HG2 THR 70 -10.319 13.679 0.043 535 H GLY 71 H GLY 71 -8.620 13.783 4.615 536 HA2 GLY 71 1HA GLY 71 -7.695 16.004 5.897 537 HA3 GLY 71 2HA GLY 71 -9.441 16.195 5.951 538 H SER 72 H SER 72 -6.707 14.523 7.215 539 HA SER 72 HA SER 72 -8.476 13.112 9.104 540 HB2 SER 72 1HB SER 72 -7.247 11.608 7.492 541 HB3 SER 72 2HB SER 72 -5.743 12.157 8.231 542 HG SER 72 HG SER 72 -7.807 11.137 9.842 543 H GLY 73 H GLY 73 -5.079 14.165 8.758 544 HA2 GLY 73 1HA GLY 73 -5.192 15.033 11.581 545 HA3 GLY 73 2HA GLY 73 -3.750 14.364 10.833 546 HA PRO 74 HA PRO 74 -4.390 18.775 8.928 547 HB2 PRO 74 1HB PRO 74 -6.217 20.355 10.166 548 HB3 PRO 74 2HB PRO 74 -6.623 19.301 8.807 549 HG2 PRO 74 1HG PRO 74 -7.023 18.850 11.739 550 HG3 PRO 74 2HG PRO 74 -8.128 18.513 10.395 551 HD2 PRO 74 1HD PRO 74 -6.633 16.585 11.568 552 HD3 PRO 74 2HD PRO 74 -7.063 16.544 9.847 553 H SER 75 H SER 75 -3.606 20.886 9.635 554 HA SER 75 HA SER 75 -1.947 20.661 11.957 555 HB2 SER 75 1HB SER 75 -1.340 21.854 9.795 556 HB3 SER 75 2HB SER 75 -2.407 23.157 10.318 557 HG SER 75 HG SER 75 -0.699 23.837 11.334 558 H SER 76 H SER 76 -1.830 22.444 13.589 559 HA SER 76 HA SER 76 -4.547 23.082 14.503 560 HB2 SER 76 1HB SER 76 -1.942 22.627 15.922 561 HB3 SER 76 2HB SER 76 -3.216 23.563 16.704 562 HG SER 76 HG SER 76 -3.004 20.911 16.463 563 H GLY 77 H GLY 77 -1.286 24.538 14.522 564 HA2 GLY 77 1HA GLY 77 -1.967 27.111 15.245 565 HA3 GLY 77 2HA GLY 77 -0.614 26.712 14.197 Start of MODEL 14 1 H1 GLY 1 H GLY 1 2.334 38.170 -18.312 2 HA2 GLY 1 1HA GLY 1 4.991 37.014 -18.876 3 HA3 GLY 1 2HA GLY 1 4.709 37.986 -17.439 4 H SER 2 H SER 2 5.108 36.444 -15.914 5 HA SER 2 HA SER 2 3.275 34.135 -15.902 6 HB2 SER 2 1HB SER 2 5.634 33.467 -16.281 7 HB3 SER 2 2HB SER 2 6.077 34.234 -14.756 8 HG SER 2 HG SER 2 4.298 32.742 -13.920 9 H SER 3 H SER 3 2.461 33.464 -13.879 10 HA SER 3 HA SER 3 2.994 35.098 -11.540 11 HB2 SER 3 1HB SER 3 0.188 34.910 -12.659 12 HB3 SER 3 2HB SER 3 0.687 35.774 -11.205 13 HG SER 3 HG SER 3 2.195 36.815 -12.944 14 H GLY 4 H GLY 4 1.373 34.332 -9.716 15 HA2 GLY 4 1HA GLY 4 1.661 31.424 -9.640 16 HA3 GLY 4 2HA GLY 4 1.346 32.473 -8.266 17 H SER 5 H SER 5 -0.431 31.490 -7.435 18 HA SER 5 HA SER 5 -2.916 31.889 -8.842 19 HB2 SER 5 1HB SER 5 -3.647 29.542 -8.711 20 HB3 SER 5 2HB SER 5 -2.225 29.708 -9.741 21 HG SER 5 HG SER 5 -1.710 29.218 -7.070 22 H SER 6 H SER 6 -4.791 31.043 -7.445 23 HA SER 6 HA SER 6 -4.627 32.254 -4.918 24 HB2 SER 6 1HB SER 6 -6.735 31.957 -6.205 25 HB3 SER 6 2HB SER 6 -6.675 30.229 -5.855 26 HG SER 6 HG SER 6 -6.831 32.317 -3.936 27 H GLY 7 H GLY 7 -4.932 31.267 -2.809 28 HA2 GLY 7 1HA GLY 7 -4.308 28.454 -2.514 29 HA3 GLY 7 2HA GLY 7 -3.034 29.543 -1.986 30 H ARG 8 H ARG 8 -5.019 27.629 -0.624 31 HA ARG 8 HA ARG 8 -6.316 29.497 1.215 32 HB2 ARG 8 1HB ARG 8 -6.591 26.543 0.717 33 HB3 ARG 8 2HB ARG 8 -7.253 27.290 2.165 34 HG2 ARG 8 1HG ARG 8 -7.933 28.203 -0.617 35 HG3 ARG 8 2HG ARG 8 -8.860 26.988 0.266 36 HD2 ARG 8 1HD ARG 8 -8.348 29.820 1.171 37 HD3 ARG 8 2HD ARG 8 -9.851 29.220 0.471 38 HE ARG 8 HE ARG 8 -8.979 27.800 2.824 39 HH11 ARG 8 2HH1 ARG 8 -10.832 30.473 1.584 40 HH12 ARG 8 1HH1 ARG 8 -11.850 30.585 2.982 41 HH21 ARG 8 2HH2 ARG 8 -10.313 27.936 4.669 42 HH22 ARG 8 1HH2 ARG 8 -11.553 29.142 4.736 43 H SER 9 H SER 9 -6.178 29.061 3.552 44 HA SER 9 HA SER 9 -3.432 28.765 4.342 45 HB2 SER 9 1HB SER 9 -5.986 29.456 5.758 46 HB3 SER 9 2HB SER 9 -4.551 29.040 6.694 47 HG SER 9 HG SER 9 -4.828 31.135 4.802 48 H GLU 10 H GLU 10 -2.616 26.761 4.355 49 HA GLU 10 HA GLU 10 -4.235 24.570 5.440 50 HB2 GLU 10 1HB GLU 10 -1.664 24.535 3.851 51 HB3 GLU 10 2HB GLU 10 -2.478 23.101 4.460 52 HG2 GLU 10 1HG GLU 10 -4.463 23.713 3.116 53 HG3 GLU 10 2HG GLU 10 -3.545 25.057 2.439 54 H TRP 11 H TRP 11 -3.989 25.223 7.639 55 HA TRP 11 HA TRP 11 -1.695 25.769 9.024 56 HB2 TRP 11 1HB TRP 11 -4.069 25.708 9.914 57 HB3 TRP 11 2HB TRP 11 -3.863 23.969 10.109 58 HD1 TRP 11 HD TRP 11 -2.733 27.305 11.591 59 HE1 TRP 11 1HE TRP 11 -1.625 26.862 13.871 60 HE3 TRP 11 3HE TRP 11 -2.582 22.197 11.441 61 HZ2 TRP 11 2HZ TRP 11 -0.796 24.641 15.404 62 HZ3 TRP 11 3HZ TRP 11 -1.615 20.989 13.354 63 HH2 TRP 11 HH TRP 11 -0.740 22.187 15.293 64 H GLN 12 H GLN 12 -3.114 22.502 8.758 65 HA GLN 12 HA GLN 12 -0.987 21.120 9.899 66 HB2 GLN 12 1HB GLN 12 -1.875 19.144 8.607 67 HB3 GLN 12 2HB GLN 12 -3.056 19.984 9.604 68 HG2 GLN 12 1HG GLN 12 -4.280 19.760 7.716 69 HG3 GLN 12 2HG GLN 12 -3.487 21.291 7.346 70 HE21 GLN 12 1HE2 GLN 12 -3.422 21.145 5.171 71 HE22 GLN 12 2HE2 GLN 12 -2.555 19.929 4.302 72 H GLN 13 H GLN 13 0.875 20.215 9.135 73 HA GLN 13 HA GLN 13 1.570 20.749 6.325 74 HB2 GLN 13 1HB GLN 13 2.683 22.376 7.808 75 HB3 GLN 13 2HB GLN 13 3.407 21.050 8.707 76 HG2 GLN 13 1HG GLN 13 4.594 20.346 6.675 77 HG3 GLN 13 2HG GLN 13 3.904 21.722 5.816 78 HE21 GLN 13 1HE2 GLN 13 6.690 20.810 6.786 79 HE22 GLN 13 2HE2 GLN 13 7.358 22.254 7.459 80 H ARG 14 H ARG 14 2.483 18.899 9.225 81 HA ARG 14 HA ARG 14 2.638 16.476 7.656 82 HB2 ARG 14 1HB ARG 14 4.948 15.948 8.350 83 HB3 ARG 14 2HB ARG 14 4.871 17.359 7.303 84 HG2 ARG 14 1HG ARG 14 4.780 18.630 9.616 85 HG3 ARG 14 2HG ARG 14 5.584 17.161 10.174 86 HD2 ARG 14 1HD ARG 14 6.602 18.438 7.696 87 HD3 ARG 14 2HD ARG 14 6.930 19.249 9.227 88 HE ARG 14 HE ARG 14 8.349 17.526 9.816 89 HH11 ARG 14 2HH1 ARG 14 6.609 16.716 6.912 90 HH12 ARG 14 1HH1 ARG 14 7.598 15.340 6.547 91 HH21 ARG 14 2HH2 ARG 14 9.658 15.718 9.347 92 HH22 ARG 14 1HH2 ARG 14 9.331 14.773 7.933 93 H GLU 15 H GLU 15 1.426 15.170 8.856 94 HA GLU 15 HA GLU 15 0.599 15.345 11.402 95 HB2 GLU 15 1HB GLU 15 1.432 12.796 10.006 96 HB3 GLU 15 2HB GLU 15 0.445 12.861 11.460 97 HG2 GLU 15 1HG GLU 15 -1.261 14.122 10.229 98 HG3 GLU 15 2HG GLU 15 -0.278 14.004 8.771 99 H ARG 16 H ARG 16 1.315 14.961 13.446 100 HA ARG 16 HA ARG 16 4.113 15.069 13.920 101 HB2 ARG 16 1HB ARG 16 3.473 14.857 16.315 102 HB3 ARG 16 2HB ARG 16 2.602 16.129 15.468 103 HG2 ARG 16 1HG ARG 16 0.822 15.218 16.488 104 HG3 ARG 16 2HG ARG 16 0.885 14.084 15.136 105 HD2 ARG 16 1HD ARG 16 0.678 12.830 17.167 106 HD3 ARG 16 2HD ARG 16 2.306 12.596 16.531 107 HE ARG 16 HE ARG 16 2.700 14.601 18.241 108 HH11 ARG 16 2HH1 ARG 16 0.946 11.615 18.595 109 HH12 ARG 16 1HH1 ARG 16 1.244 11.490 20.297 110 HH21 ARG 16 2HH2 ARG 16 3.099 14.448 20.482 111 HH22 ARG 16 1HH2 ARG 16 2.467 13.102 21.369 112 H ARG 17 H ARG 17 5.555 13.504 14.343 113 HA ARG 17 HA ARG 17 4.689 10.855 15.146 114 HB2 ARG 17 1HB ARG 17 5.702 11.495 12.427 115 HB3 ARG 17 2HB ARG 17 6.318 10.032 13.184 116 HG2 ARG 17 1HG ARG 17 4.309 8.970 13.097 117 HG3 ARG 17 2HG ARG 17 3.386 10.469 13.216 118 HD2 ARG 17 1HD ARG 17 3.829 11.003 10.929 119 HD3 ARG 17 2HD ARG 17 4.980 9.675 10.787 120 HE ARG 17 HE ARG 17 3.230 8.258 10.406 121 HH11 ARG 17 2HH1 ARG 17 2.015 11.186 11.846 122 HH12 ARG 17 1HH1 ARG 17 0.351 10.747 11.647 123 HH21 ARG 17 2HH2 ARG 17 1.043 7.670 10.138 124 HH22 ARG 17 1HH2 ARG 17 -0.201 8.747 10.677 125 H ARG 18 H ARG 18 6.700 9.382 15.341 126 HA ARG 18 HA ARG 18 8.881 11.000 16.483 127 HB2 ARG 18 1HB ARG 18 7.603 8.435 17.332 128 HB3 ARG 18 2HB ARG 18 9.294 8.713 17.726 129 HG2 ARG 18 1HG ARG 18 8.336 9.557 19.600 130 HG3 ARG 18 2HG ARG 18 8.334 11.015 18.605 131 HD2 ARG 18 1HD ARG 18 5.995 9.187 18.437 132 HD3 ARG 18 2HD ARG 18 6.166 10.191 19.876 133 HE ARG 18 HE ARG 18 5.474 11.062 17.224 134 HH11 ARG 18 2HH1 ARG 18 6.816 12.007 20.294 135 HH12 ARG 18 1HH1 ARG 18 6.434 13.684 20.093 136 HH21 ARG 18 2HH2 ARG 18 4.965 13.268 16.947 137 HH22 ARG 18 1HH2 ARG 18 5.380 14.401 18.189 138 H TYR 19 H TYR 19 8.457 7.660 15.299 139 HA TYR 19 HA TYR 19 11.152 7.391 14.490 140 HB2 TYR 19 1HB TYR 19 8.650 5.825 13.893 141 HB3 TYR 19 2HB TYR 19 10.196 5.399 13.168 142 HD1 TYR 19 2HD TYR 19 9.357 6.552 16.617 143 HD2 TYR 19 1HD TYR 19 10.889 3.426 14.171 144 HE1 TYR 19 2HE TYR 19 9.942 5.270 18.633 145 HE2 TYR 19 1HE TYR 19 11.477 2.135 16.180 146 HH TYR 19 HH TYR 19 12.020 2.955 18.801 147 H LYS 20 H LYS 20 11.999 7.192 12.350 148 HA LYS 20 HA LYS 20 10.431 8.253 10.149 149 HB2 LYS 20 1HB LYS 20 11.328 10.275 11.211 150 HB3 LYS 20 2HB LYS 20 12.957 9.620 11.096 151 HG2 LYS 20 1HG LYS 20 12.841 9.683 8.676 152 HG3 LYS 20 2HG LYS 20 11.175 10.263 8.754 153 HD2 LYS 20 1HD LYS 20 11.850 12.327 9.717 154 HD3 LYS 20 2HD LYS 20 13.487 11.733 10.006 155 HE2 LYS 20 1HE LYS 20 14.006 11.762 7.702 156 HE3 LYS 20 2HE LYS 20 12.314 11.954 7.246 157 HZ1 LYS 20 1HZ LYS 20 14.058 13.966 8.552 158 HZ2 LYS 20 2HZ LYS 20 12.388 14.157 8.367 159 HZ3 LYS 20 3HZ LYS 20 13.382 14.046 7.003 160 H CYS 21 H CYS 21 11.474 7.987 8.078 161 HA CYS 21 HA CYS 21 13.507 5.859 8.136 162 HB2 CYS 21 1HB CYS 21 11.220 5.367 7.136 163 HB3 CYS 21 2HB CYS 21 11.646 6.483 5.843 164 H ASP 22 H ASP 22 15.119 7.586 8.351 165 HA ASP 22 HA ASP 22 15.656 9.693 6.767 166 HB2 ASP 22 1HB ASP 22 17.765 7.639 7.450 167 HB3 ASP 22 2HB ASP 22 18.006 9.361 7.174 168 H GLU 23 H GLU 23 15.821 6.339 5.815 169 HA GLU 23 HA GLU 23 17.332 6.493 3.499 170 HB2 GLU 23 1HB GLU 23 15.144 4.720 4.455 171 HB3 GLU 23 2HB GLU 23 15.555 4.644 2.747 172 HG2 GLU 23 1HG GLU 23 16.760 2.956 3.982 173 HG3 GLU 23 2HG GLU 23 17.877 4.152 3.328 174 H CYS 24 H CYS 24 13.787 6.786 3.769 175 HA CYS 24 HA CYS 24 13.763 8.075 1.127 176 HB2 CYS 24 1HB CYS 24 11.305 7.597 1.181 177 HB3 CYS 24 2HB CYS 24 12.317 6.156 1.212 178 H GLY 25 H GLY 25 12.322 8.365 4.372 179 HA2 GLY 25 1HA GLY 25 12.586 10.659 5.354 180 HA3 GLY 25 2HA GLY 25 11.950 11.246 3.825 181 H LYS 26 H LYS 26 10.665 8.338 5.200 182 HA LYS 26 HA LYS 26 8.107 9.694 5.592 183 HB2 LYS 26 1HB LYS 26 8.522 7.455 4.285 184 HB3 LYS 26 2HB LYS 26 8.482 6.738 5.891 185 HG2 LYS 26 1HG LYS 26 6.255 7.331 6.234 186 HG3 LYS 26 2HG LYS 26 6.279 8.529 4.938 187 HD2 LYS 26 1HD LYS 26 6.748 6.504 3.397 188 HD3 LYS 26 2HD LYS 26 6.149 5.540 4.750 189 HE2 LYS 26 1HE LYS 26 4.178 7.302 4.657 190 HE3 LYS 26 2HE LYS 26 4.709 7.453 2.983 191 HZ1 LYS 26 1HZ LYS 26 3.563 5.630 2.534 192 HZ2 LYS 26 2HZ LYS 26 3.156 5.419 4.162 193 HZ3 LYS 26 3HZ LYS 26 4.580 4.739 3.553 194 H SER 27 H SER 27 6.757 8.857 7.470 195 HA SER 27 HA SER 27 8.355 8.248 9.843 196 HB2 SER 27 1HB SER 27 7.005 10.034 11.089 197 HB3 SER 27 2HB SER 27 8.285 10.608 10.021 198 HG SER 27 HG SER 27 6.786 11.711 9.066 199 H PHE 28 H PHE 28 7.264 7.135 11.436 200 HA PHE 28 HA PHE 28 4.442 6.495 10.904 201 HB2 PHE 28 1HB PHE 28 6.528 4.506 11.820 202 HB3 PHE 28 2HB PHE 28 4.837 4.168 11.468 203 HD1 PHE 28 1HD PHE 28 8.011 5.297 9.922 204 HD2 PHE 28 2HD PHE 28 4.159 3.592 9.312 205 HE1 PHE 28 1HE PHE 28 8.602 4.806 7.584 206 HE2 PHE 28 2HE PHE 28 4.744 3.098 6.974 207 HZ PHE 28 HZ PHE 28 6.968 3.704 6.108 208 H SER 29 H SER 29 3.415 5.404 12.858 209 HA SER 29 HA SER 29 4.101 6.993 15.209 210 HB2 SER 29 1HB SER 29 1.679 5.255 14.680 211 HB3 SER 29 2HB SER 29 1.893 6.341 16.053 212 HG SER 29 HG SER 29 1.578 8.041 14.785 213 H HIS 30 H HIS 30 3.659 3.622 14.241 214 HA HIS 30 HA HIS 30 4.834 2.788 16.809 215 HB2 HIS 30 1HB HIS 30 2.475 1.970 15.907 216 HB3 HIS 30 2HB HIS 30 3.477 0.831 15.011 217 HD1 HIS 30 1HD HIS 30 4.793 -0.934 16.397 218 HD2 HIS 30 2HD HIS 30 2.288 1.502 18.644 219 HE1 HIS 30 1HE HIS 30 4.611 -2.048 18.645 220 H SER 31 H SER 31 6.741 1.762 16.828 221 HA SER 31 HA SER 31 8.501 1.810 14.715 222 HB2 SER 31 1HB SER 31 9.899 0.275 15.994 223 HB3 SER 31 2HB SER 31 9.146 1.440 17.083 224 HG SER 31 HG SER 31 7.809 -0.104 17.836 225 H SER 32 H SER 32 6.483 -0.912 15.779 226 HA SER 32 HA SER 32 7.315 -2.907 14.120 227 HB2 SER 32 1HB SER 32 4.516 -2.182 14.991 228 HB3 SER 32 2HB SER 32 4.877 -3.658 14.096 229 HG SER 32 HG SER 32 6.313 -4.227 15.795 230 H ASP 33 H ASP 33 5.019 -0.326 13.301 231 HA ASP 33 HA ASP 33 4.392 -1.142 10.714 232 HB2 ASP 33 1HB ASP 33 4.602 1.671 11.808 233 HB3 ASP 33 2HB ASP 33 3.803 1.229 10.302 234 H LEU 34 H LEU 34 6.841 1.257 11.703 235 HA LEU 34 HA LEU 34 7.939 1.793 9.236 236 HB2 LEU 34 1HB LEU 34 8.606 3.079 11.111 237 HB3 LEU 34 2HB LEU 34 9.207 1.656 11.959 238 HG LEU 34 HG LEU 34 11.001 1.483 10.220 239 HD11 LEU 34 1HD1 LEU 34 11.248 4.007 9.237 240 HD12 LEU 34 2HD1 LEU 34 9.503 3.764 9.157 241 HD13 LEU 34 3HD1 LEU 34 10.588 2.636 8.345 242 HD21 LEU 34 1HD2 LEU 34 11.731 2.368 12.235 243 HD22 LEU 34 2HD2 LEU 34 10.746 3.822 12.071 244 HD23 LEU 34 3HD2 LEU 34 12.188 3.616 11.075 245 H SER 35 H SER 35 8.967 -0.728 11.531 246 HA SER 35 HA SER 35 11.070 -1.836 10.194 247 HB2 SER 35 1HB SER 35 10.251 -2.603 12.404 248 HB3 SER 35 2HB SER 35 8.894 -3.398 11.607 249 HG SER 35 HG SER 35 10.191 -5.026 11.390 250 H LYS 36 H LYS 36 7.632 -2.448 9.604 251 HA LYS 36 HA LYS 36 8.031 -4.398 7.583 252 HB2 LYS 36 1HB LYS 36 5.667 -2.617 8.191 253 HB3 LYS 36 2HB LYS 36 5.638 -3.922 7.013 254 HG2 LYS 36 1HG LYS 36 6.365 -5.429 8.955 255 HG3 LYS 36 2HG LYS 36 5.872 -4.089 9.993 256 HD2 LYS 36 1HD LYS 36 3.984 -5.010 7.886 257 HD3 LYS 36 2HD LYS 36 4.189 -6.016 9.322 258 HE2 LYS 36 1HE LYS 36 3.848 -3.768 10.598 259 HE3 LYS 36 2HE LYS 36 3.116 -3.235 9.085 260 HZ1 LYS 36 1HZ LYS 36 1.754 -4.442 11.006 261 HZ2 LYS 36 2HZ LYS 36 2.221 -5.803 10.117 262 HZ3 LYS 36 3HZ LYS 36 1.338 -4.568 9.371 263 H HIS 37 H HIS 37 7.679 -0.896 7.547 264 HA HIS 37 HA HIS 37 7.359 -0.547 4.781 265 HB2 HIS 37 1HB HIS 37 6.889 1.362 6.022 266 HB3 HIS 37 2HB HIS 37 8.337 1.200 7.011 267 HD1 HIS 37 1HD HIS 37 7.349 2.153 3.475 268 HD2 HIS 37 2HD HIS 37 10.438 2.728 6.194 269 HE1 HIS 37 1HE HIS 37 8.886 3.830 2.402 270 H ARG 38 H ARG 38 10.325 -0.163 6.732 271 HA ARG 38 HA ARG 38 12.208 0.353 4.909 272 HB2 ARG 38 1HB ARG 38 12.205 -1.394 7.311 273 HB3 ARG 38 2HB ARG 38 13.590 -1.522 6.236 274 HG2 ARG 38 1HG ARG 38 14.356 0.102 7.618 275 HG3 ARG 38 2HG ARG 38 13.522 1.117 6.440 276 HD2 ARG 38 1HD ARG 38 12.633 1.981 8.349 277 HD3 ARG 38 2HD ARG 38 11.479 0.678 8.071 278 HE ARG 38 HE ARG 38 12.295 -0.410 9.926 279 HH11 ARG 38 2HH1 ARG 38 14.405 2.227 9.084 280 HH12 ARG 38 1HH1 ARG 38 15.330 2.126 10.545 281 HH21 ARG 38 2HH2 ARG 38 13.504 -0.554 11.854 282 HH22 ARG 38 1HH2 ARG 38 14.817 0.543 12.120 283 H ARG 39 H ARG 39 10.583 -2.743 5.279 284 HA ARG 39 HA ARG 39 12.165 -4.352 3.674 285 HB2 ARG 39 1HB ARG 39 9.149 -4.401 3.883 286 HB3 ARG 39 2HB ARG 39 10.166 -5.721 3.320 287 HG2 ARG 39 1HG ARG 39 11.279 -5.595 5.621 288 HG3 ARG 39 2HG ARG 39 9.882 -4.624 6.092 289 HD2 ARG 39 1HD ARG 39 8.408 -6.467 5.335 290 HD3 ARG 39 2HD ARG 39 9.844 -7.436 5.003 291 HE ARG 39 HE ARG 39 9.655 -6.425 7.702 292 HH11 ARG 39 2HH1 ARG 39 8.921 -9.038 5.522 293 HH12 ARG 39 1HH1 ARG 39 8.778 -10.220 6.780 294 HH21 ARG 39 2HH2 ARG 39 9.469 -7.972 9.367 295 HH22 ARG 39 1HH2 ARG 39 9.089 -9.613 8.967 296 H THR 40 H THR 40 9.428 -2.297 2.711 297 HA THR 40 HA THR 40 9.140 -2.834 0.082 298 HB THR 40 HB THR 40 8.555 -0.487 -0.312 299 HG1 THR 40 1HG THR 40 9.154 0.246 2.311 300 HG21 THR 40 1HG2 THR 40 7.659 -1.643 2.325 301 HG22 THR 40 2HG2 THR 40 6.860 -1.776 0.758 302 HG23 THR 40 3HG2 THR 40 6.921 -0.221 1.588 303 H HIS 41 H HIS 41 11.848 -1.165 1.555 304 HA HIS 41 HA HIS 41 13.018 -0.332 -0.925 305 HB2 HIS 41 1HB HIS 41 14.136 -0.504 1.879 306 HB3 HIS 41 2HB HIS 41 15.021 0.161 0.509 307 HD1 HIS 41 1HD HIS 41 13.807 2.305 -0.653 308 HD2 HIS 41 2HD HIS 41 12.580 1.297 3.186 309 HE1 HIS 41 1HE HIS 41 12.639 4.347 0.237 310 H THR 42 H THR 42 12.587 -2.743 -1.623 311 HA THR 42 HA THR 42 15.180 -4.110 -1.418 312 HB THR 42 HB THR 42 13.833 -5.415 0.033 313 HG1 THR 42 1HG THR 42 14.752 -6.390 -2.222 314 HG21 THR 42 1HG2 THR 42 11.694 -5.906 -1.977 315 HG22 THR 42 2HG2 THR 42 11.674 -4.376 -1.100 316 HG23 THR 42 3HG2 THR 42 11.610 -5.900 -0.216 317 H GLY 43 H GLY 43 15.416 -2.931 -3.495 318 HA2 GLY 43 1HA GLY 43 15.237 -2.752 -5.796 319 HA3 GLY 43 2HA GLY 43 15.414 -4.497 -5.695 320 H GLU 44 H GLU 44 12.689 -2.482 -4.659 321 HA GLU 44 HA GLU 44 11.074 -3.415 -6.886 322 HB2 GLU 44 1HB GLU 44 11.036 -5.049 -4.806 323 HB3 GLU 44 2HB GLU 44 9.910 -3.857 -4.173 324 HG2 GLU 44 1HG GLU 44 8.332 -4.283 -5.809 325 HG3 GLU 44 2HG GLU 44 9.514 -4.999 -6.903 326 H LYS 45 H LYS 45 8.710 -2.559 -6.512 327 HA LYS 45 HA LYS 45 8.539 0.078 -6.806 328 HB2 LYS 45 1HB LYS 45 6.568 -1.376 -5.040 329 HB3 LYS 45 2HB LYS 45 6.259 0.028 -6.053 330 HG2 LYS 45 1HG LYS 45 6.975 -1.537 -7.995 331 HG3 LYS 45 2HG LYS 45 6.632 -2.827 -6.839 332 HD2 LYS 45 1HD LYS 45 4.366 -1.886 -6.522 333 HD3 LYS 45 2HD LYS 45 4.722 -0.676 -7.756 334 HE2 LYS 45 1HE LYS 45 3.613 -2.284 -8.981 335 HE3 LYS 45 2HE LYS 45 5.297 -2.745 -9.228 336 HZ1 LYS 45 1HZ LYS 45 4.251 -3.985 -6.904 337 HZ2 LYS 45 2HZ LYS 45 4.918 -4.699 -8.284 338 HZ3 LYS 45 3HZ LYS 45 3.268 -4.327 -8.237 339 HA PRO 46 HA PRO 46 10.361 1.399 -2.859 340 HB2 PRO 46 1HB PRO 46 11.136 3.827 -3.795 341 HB3 PRO 46 2HB PRO 46 12.077 2.353 -4.053 342 HG2 PRO 46 1HG PRO 46 10.186 3.742 -5.912 343 HG3 PRO 46 2HG PRO 46 11.773 3.030 -6.256 344 HD2 PRO 46 1HD PRO 46 9.451 1.764 -6.838 345 HD3 PRO 46 2HD PRO 46 10.926 0.890 -6.379 346 H TYR 47 H TYR 47 7.596 2.174 -4.478 347 HA TYR 47 HA TYR 47 6.869 4.233 -2.498 348 HB2 TYR 47 1HB TYR 47 5.697 3.959 -5.270 349 HB3 TYR 47 2HB TYR 47 5.405 5.255 -4.116 350 HD1 TYR 47 2HD TYR 47 7.220 6.881 -3.607 351 HD2 TYR 47 1HD TYR 47 7.604 3.979 -6.695 352 HE1 TYR 47 2HE TYR 47 9.078 8.168 -4.578 353 HE2 TYR 47 1HE TYR 47 9.464 5.258 -7.674 354 HH TYR 47 HH TYR 47 11.246 7.246 -6.310 355 H LYS 48 H LYS 48 5.008 3.961 -1.371 356 HA LYS 48 HA LYS 48 2.900 2.232 -2.147 357 HB2 LYS 48 1HB LYS 48 4.600 0.531 -1.536 358 HB3 LYS 48 2HB LYS 48 4.673 1.216 0.082 359 HG2 LYS 48 1HG LYS 48 2.063 0.766 -0.016 360 HG3 LYS 48 2HG LYS 48 2.579 -0.455 -1.183 361 HD2 LYS 48 1HD LYS 48 4.213 -1.273 0.535 362 HD3 LYS 48 2HD LYS 48 3.455 -0.172 1.689 363 HE2 LYS 48 1HE LYS 48 1.929 -2.268 0.157 364 HE3 LYS 48 2HE LYS 48 2.642 -2.561 1.743 365 HZ1 LYS 48 1HZ LYS 48 1.028 -1.426 2.755 366 HZ2 LYS 48 2HZ LYS 48 0.161 -1.596 1.313 367 HZ3 LYS 48 3HZ LYS 48 1.033 -0.178 1.613 368 H CYS 49 H CYS 49 1.201 3.268 -1.358 369 HA CYS 49 HA CYS 49 1.402 5.094 0.830 370 HB2 CYS 49 1HB CYS 49 -0.131 5.576 -0.976 371 HB3 CYS 49 2HB CYS 49 -0.984 4.058 -0.712 372 H ASP 50 H ASP 50 0.281 4.995 2.830 373 HA ASP 50 HA ASP 50 0.018 2.257 3.841 374 HB2 ASP 50 1HB ASP 50 1.500 4.122 4.914 375 HB3 ASP 50 2HB ASP 50 -0.024 4.698 5.584 376 H GLU 51 H GLU 51 -1.717 5.334 3.685 377 HA GLU 51 HA GLU 51 -3.942 4.763 5.198 378 HB2 GLU 51 1HB GLU 51 -3.733 6.335 2.628 379 HB3 GLU 51 2HB GLU 51 -5.173 6.310 3.635 380 HG2 GLU 51 1HG GLU 51 -2.499 7.119 4.719 381 HG3 GLU 51 2HG GLU 51 -3.568 8.264 3.911 382 H CYS 52 H CYS 52 -3.453 4.049 1.747 383 HA CYS 52 HA CYS 52 -5.861 2.384 1.769 384 HB2 CYS 52 1HB CYS 52 -5.625 2.353 -0.678 385 HB3 CYS 52 2HB CYS 52 -5.666 4.000 -0.057 386 H GLY 53 H GLY 53 -2.387 2.217 1.133 387 HA2 GLY 53 1HA GLY 53 -1.034 0.351 1.614 388 HA3 GLY 53 2HA GLY 53 -2.476 -0.650 1.678 389 H LYS 54 H LYS 54 -1.398 1.549 -0.884 390 HA LYS 54 HA LYS 54 -1.264 -0.778 -2.689 391 HB2 LYS 54 1HB LYS 54 -3.159 0.798 -3.123 392 HB3 LYS 54 2HB LYS 54 -1.978 2.062 -3.440 393 HG2 LYS 54 1HG LYS 54 -1.057 0.654 -5.272 394 HG3 LYS 54 2HG LYS 54 -2.386 -0.477 -5.004 395 HD2 LYS 54 1HD LYS 54 -4.001 1.110 -5.666 396 HD3 LYS 54 2HD LYS 54 -2.848 2.442 -5.562 397 HE2 LYS 54 1HE LYS 54 -1.557 1.233 -7.404 398 HE3 LYS 54 2HE LYS 54 -3.012 0.261 -7.622 399 HZ1 LYS 54 1HZ LYS 54 -4.258 2.221 -8.134 400 HZ2 LYS 54 2HZ LYS 54 -2.884 2.199 -9.120 401 HZ3 LYS 54 3HZ LYS 54 -2.944 3.225 -7.776 402 H ALA 55 H ALA 55 0.407 -0.883 -4.180 403 HA ALA 55 HA ALA 55 2.712 0.809 -3.546 404 HB1 ALA 55 1HB ALA 55 3.099 -1.570 -3.387 405 HB2 ALA 55 2HB ALA 55 2.541 -1.802 -5.044 406 HB3 ALA 55 3HB ALA 55 4.028 -0.907 -4.732 407 H PHE 56 H PHE 56 3.866 1.925 -5.113 408 HA PHE 56 HA PHE 56 2.649 2.074 -7.785 409 HB2 PHE 56 1HB PHE 56 3.661 4.481 -6.267 410 HB3 PHE 56 2HB PHE 56 2.803 4.469 -7.804 411 HD1 PHE 56 2HD PHE 56 2.392 3.531 -4.229 412 HD2 PHE 56 1HD PHE 56 0.510 4.757 -7.845 413 HE1 PHE 56 2HE PHE 56 0.255 3.769 -3.032 414 HE2 PHE 56 1HE PHE 56 -1.629 4.998 -6.654 415 HZ PHE 56 HZ PHE 56 -1.759 4.503 -4.245 416 H ILE 57 H ILE 57 4.080 2.882 -9.455 417 HA ILE 57 HA ILE 57 6.850 2.088 -8.943 418 HB ILE 57 HB ILE 57 5.396 2.553 -11.549 419 HG12 ILE 57 1HG1 ILE 57 6.070 -0.021 -11.637 420 HG13 ILE 57 2HG1 ILE 57 6.008 0.153 -9.886 421 HG21 ILE 57 1HG2 ILE 57 7.345 1.846 -12.691 422 HG22 ILE 57 2HG2 ILE 57 7.861 3.083 -11.547 423 HG23 ILE 57 3HG2 ILE 57 8.142 1.380 -11.189 424 HD11 ILE 57 1HD1 ILE 57 3.825 0.279 -11.887 425 HD12 ILE 57 2HD1 ILE 57 3.869 -0.489 -10.300 426 HD13 ILE 57 3HD1 ILE 57 3.681 1.259 -10.428 427 H GLN 58 H GLN 58 5.052 4.703 -10.563 428 HA GLN 58 HA GLN 58 7.448 6.375 -10.490 429 HB2 GLN 58 1HB GLN 58 4.846 6.500 -11.966 430 HB3 GLN 58 2HB GLN 58 5.797 7.965 -11.761 431 HG2 GLN 58 1HG GLN 58 6.781 5.421 -13.032 432 HG3 GLN 58 2HG GLN 58 6.223 6.849 -13.901 433 HE21 GLN 58 1HE2 GLN 58 8.848 5.467 -13.809 434 HE22 GLN 58 2HE2 GLN 58 9.990 6.695 -13.396 435 H ARG 59 H ARG 59 7.218 8.651 -9.814 436 HA ARG 59 HA ARG 59 6.101 8.811 -7.208 437 HB2 ARG 59 1HB ARG 59 7.597 10.638 -9.015 438 HB3 ARG 59 2HB ARG 59 6.673 11.375 -7.713 439 HG2 ARG 59 1HG ARG 59 8.457 9.100 -7.041 440 HG3 ARG 59 2HG ARG 59 9.192 10.663 -7.405 441 HD2 ARG 59 1HD ARG 59 7.378 11.551 -5.733 442 HD3 ARG 59 2HD ARG 59 7.386 9.883 -5.162 443 HE ARG 59 HE ARG 59 9.456 10.239 -4.239 444 HH11 ARG 59 2HH1 ARG 59 8.695 12.847 -6.416 445 HH12 ARG 59 1HH1 ARG 59 10.048 13.816 -5.935 446 HH21 ARG 59 2HH2 ARG 59 11.242 11.506 -3.598 447 HH22 ARG 59 1HH2 ARG 59 11.497 13.052 -4.334 448 H SER 60 H SER 60 5.363 10.672 -10.164 449 HA SER 60 HA SER 60 3.223 12.126 -9.341 450 HB2 SER 60 1HB SER 60 2.328 11.842 -11.712 451 HB3 SER 60 2HB SER 60 3.987 12.424 -11.573 452 HG SER 60 HG SER 60 4.563 10.110 -11.799 453 H HIS 61 H HIS 61 3.239 8.704 -10.171 454 HA HIS 61 HA HIS 61 0.508 8.205 -10.239 455 HB2 HIS 61 1HB HIS 61 2.740 6.425 -9.239 456 HB3 HIS 61 2HB HIS 61 1.105 5.875 -9.591 457 HD1 HIS 61 1HD HIS 61 2.038 4.282 -11.424 458 HD2 HIS 61 2HD HIS 61 2.729 8.317 -12.133 459 HE1 HIS 61 1HE HIS 61 2.748 4.430 -13.832 460 H LEU 62 H LEU 62 2.694 8.428 -7.478 461 HA LEU 62 HA LEU 62 0.542 7.829 -5.616 462 HB2 LEU 62 1HB LEU 62 2.527 6.856 -4.921 463 HB3 LEU 62 2HB LEU 62 3.490 8.258 -5.382 464 HG LEU 62 HG LEU 62 2.498 9.488 -3.451 465 HD11 LEU 62 1HD1 LEU 62 0.470 8.324 -3.075 466 HD12 LEU 62 2HD1 LEU 62 1.488 8.031 -1.666 467 HD13 LEU 62 3HD1 LEU 62 1.307 6.781 -2.897 468 HD21 LEU 62 1HD2 LEU 62 4.492 8.881 -2.660 469 HD22 LEU 62 2HD2 LEU 62 4.384 7.277 -3.388 470 HD23 LEU 62 3HD2 LEU 62 3.645 7.585 -1.815 471 H ILE 63 H ILE 63 2.772 10.523 -6.282 472 HA ILE 63 HA ILE 63 2.082 12.400 -4.497 473 HB ILE 63 HB ILE 63 2.316 12.894 -7.468 474 HG12 ILE 63 1HG1 ILE 63 4.427 13.186 -5.328 475 HG13 ILE 63 2HG1 ILE 63 4.239 11.731 -6.300 476 HG21 ILE 63 1HG2 ILE 63 3.230 15.149 -6.322 477 HG22 ILE 63 2HG2 ILE 63 1.564 14.931 -6.854 478 HG23 ILE 63 3HG2 ILE 63 1.986 14.696 -5.158 479 HD11 ILE 63 1HD1 ILE 63 4.476 14.283 -7.763 480 HD12 ILE 63 2HD1 ILE 63 5.916 13.692 -6.934 481 HD13 ILE 63 3HD1 ILE 63 5.120 12.686 -8.144 482 H GLY 64 H GLY 64 0.258 11.926 -7.533 483 HA2 GLY 64 1HA GLY 64 -1.826 13.712 -6.838 484 HA3 GLY 64 2HA GLY 64 -1.896 12.490 -8.099 485 H HIS 65 H HIS 65 -1.587 10.173 -6.632 486 HA HIS 65 HA HIS 65 -4.089 9.441 -5.913 487 HB2 HIS 65 1HB HIS 65 -2.584 7.676 -5.987 488 HB3 HIS 65 2HB HIS 65 -1.404 8.503 -4.974 489 HD1 HIS 65 1HD HIS 65 -5.005 7.391 -4.382 490 HD2 HIS 65 2HD HIS 65 -1.243 7.187 -2.632 491 HE1 HIS 65 1HE HIS 65 -5.334 6.141 -2.225 492 H HIS 66 H HIS 66 -1.700 10.964 -3.792 493 HA HIS 66 HA HIS 66 -2.757 10.808 -1.329 494 HB2 HIS 66 1HB HIS 66 -1.486 13.099 -2.772 495 HB3 HIS 66 2HB HIS 66 -2.136 13.364 -1.157 496 HD1 HIS 66 1HD HIS 66 0.263 10.950 -2.864 497 HD2 HIS 66 2HD HIS 66 -0.360 12.803 0.802 498 HE1 HIS 66 1HE HIS 66 2.221 10.286 -1.433 499 H ARG 67 H ARG 67 -3.836 13.198 -3.744 500 HA ARG 67 HA ARG 67 -5.807 14.470 -2.341 501 HB2 ARG 67 1HB ARG 67 -5.506 13.762 -5.230 502 HB3 ARG 67 2HB ARG 67 -7.018 14.475 -4.684 503 HG2 ARG 67 1HG ARG 67 -6.008 16.481 -4.097 504 HG3 ARG 67 2HG ARG 67 -4.399 15.760 -4.027 505 HD2 ARG 67 1HD ARG 67 -4.260 16.867 -6.025 506 HD3 ARG 67 2HD ARG 67 -4.857 15.303 -6.577 507 HE ARG 67 HE ARG 67 -7.023 17.020 -5.998 508 HH11 ARG 67 2HH1 ARG 67 -4.498 16.511 -8.340 509 HH12 ARG 67 1HH1 ARG 67 -5.386 17.224 -9.645 510 HH21 ARG 67 2HH2 ARG 67 -8.202 17.962 -7.709 511 HH22 ARG 67 1HH2 ARG 67 -7.492 18.050 -9.285 512 H VAL 68 H VAL 68 -6.142 11.437 -4.166 513 HA VAL 68 HA VAL 68 -8.752 10.850 -4.032 514 HB VAL 68 HB VAL 68 -6.577 8.914 -3.223 515 HG11 VAL 68 1HG1 VAL 68 -9.409 8.618 -3.366 516 HG12 VAL 68 2HG1 VAL 68 -8.669 7.658 -4.648 517 HG13 VAL 68 3HG1 VAL 68 -8.189 7.409 -2.969 518 HG21 VAL 68 1HG2 VAL 68 -6.665 8.255 -5.628 519 HG22 VAL 68 2HG2 VAL 68 -7.691 9.659 -5.924 520 HG23 VAL 68 3HG2 VAL 68 -6.039 9.881 -5.348 521 H HIS 69 H HIS 69 -6.510 10.384 -1.307 522 HA HIS 69 HA HIS 69 -8.573 9.571 0.497 523 HB2 HIS 69 1HB HIS 69 -5.694 10.383 0.878 524 HB3 HIS 69 2HB HIS 69 -6.740 9.972 2.234 525 HD1 HIS 69 1HD HIS 69 -8.188 7.545 0.892 526 HD2 HIS 69 2HD HIS 69 -4.080 8.167 0.926 527 HE1 HIS 69 1HE HIS 69 -7.161 5.272 0.571 528 H THR 70 H THR 70 -9.277 10.724 2.381 529 HA THR 70 HA THR 70 -9.228 13.650 2.021 530 HB THR 70 HB THR 70 -11.446 13.674 3.173 531 HG1 THR 70 1HG THR 70 -11.938 11.843 4.118 532 HG21 THR 70 1HG2 THR 70 -10.858 13.171 0.521 533 HG22 THR 70 2HG2 THR 70 -12.428 13.657 1.160 534 HG23 THR 70 3HG2 THR 70 -12.068 11.949 0.911 535 H GLY 71 H GLY 71 -7.967 14.558 3.511 536 HA2 GLY 71 1HA GLY 71 -8.439 13.982 6.314 537 HA3 GLY 71 2HA GLY 71 -6.833 13.564 5.735 538 H SER 72 H SER 72 -7.460 15.492 7.754 539 HA SER 72 HA SER 72 -6.556 17.958 6.413 540 HB2 SER 72 1HB SER 72 -8.373 17.587 8.793 541 HB3 SER 72 2HB SER 72 -7.564 19.120 8.465 542 HG SER 72 HG SER 72 -8.659 18.343 6.203 543 H GLY 73 H GLY 73 -4.743 15.986 7.175 544 HA2 GLY 73 1HA GLY 73 -2.677 15.911 8.194 545 HA3 GLY 73 2HA GLY 73 -3.006 17.503 8.861 546 HA PRO 74 HA PRO 74 -2.892 14.814 12.525 547 HB2 PRO 74 1HB PRO 74 -2.148 16.804 14.216 548 HB3 PRO 74 2HB PRO 74 -0.997 15.920 13.206 549 HG2 PRO 74 1HG PRO 74 -2.243 18.604 12.754 550 HG3 PRO 74 2HG PRO 74 -0.562 18.096 12.509 551 HD2 PRO 74 1HD PRO 74 -2.330 18.315 10.469 552 HD3 PRO 74 2HD PRO 74 -1.024 17.112 10.476 553 H SER 75 H SER 75 -3.919 15.157 14.731 554 HA SER 75 HA SER 75 -6.635 15.569 14.506 555 HB2 SER 75 1HB SER 75 -5.696 14.362 16.388 556 HB3 SER 75 2HB SER 75 -4.889 15.820 16.965 557 HG SER 75 HG SER 75 -6.761 16.604 17.670 558 H SER 76 H SER 76 -7.710 17.347 13.991 559 HA SER 76 HA SER 76 -6.672 19.941 14.027 560 HB2 SER 76 1HB SER 76 -8.627 19.169 12.663 561 HB3 SER 76 2HB SER 76 -9.601 19.188 14.133 562 HG SER 76 HG SER 76 -8.252 21.414 12.998 563 H GLY 77 H GLY 77 -7.290 21.781 15.313 564 HA2 GLY 77 1HA GLY 77 -7.627 21.041 18.135 565 HA3 GLY 77 2HA GLY 77 -6.957 22.553 17.542 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -35.140 6.531 0.977 2 HA2 GLY 1 1HA GLY 1 -35.842 9.208 1.024 3 HA3 GLY 1 2HA GLY 1 -36.109 8.614 2.656 4 H SER 2 H SER 2 -34.186 10.593 1.717 5 HA SER 2 HA SER 2 -31.768 9.314 2.775 6 HB2 SER 2 1HB SER 2 -32.057 10.769 0.176 7 HB3 SER 2 2HB SER 2 -30.545 10.921 1.072 8 HG SER 2 HG SER 2 -31.764 8.514 0.189 9 H SER 3 H SER 3 -30.099 11.007 3.382 10 HA SER 3 HA SER 3 -31.143 13.632 4.013 11 HB2 SER 3 1HB SER 3 -31.889 12.034 5.872 12 HB3 SER 3 2HB SER 3 -30.184 11.925 6.309 13 HG SER 3 HG SER 3 -31.653 13.629 7.312 14 H GLY 4 H GLY 4 -29.411 14.835 5.417 15 HA2 GLY 4 1HA GLY 4 -26.710 13.974 5.253 16 HA3 GLY 4 2HA GLY 4 -27.084 15.055 3.919 17 H SER 5 H SER 5 -25.172 15.593 5.927 18 HA SER 5 HA SER 5 -25.964 18.209 6.680 19 HB2 SER 5 1HB SER 5 -26.027 17.993 9.083 20 HB3 SER 5 2HB SER 5 -27.196 16.862 8.401 21 HG SER 5 HG SER 5 -26.080 15.259 9.181 22 H SER 6 H SER 6 -24.237 19.453 7.440 23 HA SER 6 HA SER 6 -21.632 18.321 6.871 24 HB2 SER 6 1HB SER 6 -22.534 21.127 7.549 25 HB3 SER 6 2HB SER 6 -20.853 20.690 7.246 26 HG SER 6 HG SER 6 -21.998 19.712 5.216 27 H GLY 7 H GLY 7 -19.845 18.385 8.306 28 HA2 GLY 7 1HA GLY 7 -20.584 18.606 11.157 29 HA3 GLY 7 2HA GLY 7 -19.626 17.262 10.555 30 H ARG 8 H ARG 8 -17.954 17.814 12.021 31 HA ARG 8 HA ARG 8 -16.491 20.276 11.333 32 HB2 ARG 8 1HB ARG 8 -16.857 18.770 13.877 33 HB3 ARG 8 2HB ARG 8 -15.316 19.577 13.619 34 HG2 ARG 8 1HG ARG 8 -16.694 21.664 13.106 35 HG3 ARG 8 2HG ARG 8 -18.049 20.787 13.818 36 HD2 ARG 8 1HD ARG 8 -17.155 22.034 15.588 37 HD3 ARG 8 2HD ARG 8 -16.525 20.405 15.827 38 HE ARG 8 HE ARG 8 -14.406 21.192 15.415 39 HH11 ARG 8 2HH1 ARG 8 -16.746 23.605 14.509 40 HH12 ARG 8 1HH1 ARG 8 -15.564 24.849 14.269 41 HH21 ARG 8 2HH2 ARG 8 -12.840 22.820 15.102 42 HH22 ARG 8 1HH2 ARG 8 -13.342 24.401 14.606 43 H SER 9 H SER 9 -14.970 19.819 9.874 44 HA SER 9 HA SER 9 -13.768 17.271 9.563 45 HB2 SER 9 1HB SER 9 -13.018 19.997 8.490 46 HB3 SER 9 2HB SER 9 -12.187 18.510 8.033 47 HG SER 9 HG SER 9 -14.721 18.000 7.722 48 H GLU 10 H GLU 10 -12.406 16.390 10.965 49 HA GLU 10 HA GLU 10 -10.795 18.029 12.722 50 HB2 GLU 10 1HB GLU 10 -10.007 15.734 13.539 51 HB3 GLU 10 2HB GLU 10 -11.697 16.147 13.796 52 HG2 GLU 10 1HG GLU 10 -12.383 14.776 11.966 53 HG3 GLU 10 2HG GLU 10 -10.711 14.495 11.486 54 H TRP 11 H TRP 11 -9.494 19.013 11.043 55 HA TRP 11 HA TRP 11 -7.708 17.374 9.495 56 HB2 TRP 11 1HB TRP 11 -6.903 19.396 8.555 57 HB3 TRP 11 2HB TRP 11 -8.628 19.648 8.808 58 HD1 TRP 11 HD TRP 11 -9.358 21.471 10.588 59 HE1 TRP 11 1HE TRP 11 -8.069 23.344 11.795 60 HE3 TRP 11 3HE TRP 11 -4.583 19.956 9.570 61 HZ2 TRP 11 2HZ TRP 11 -5.383 24.082 12.254 62 HZ3 TRP 11 3HZ TRP 11 -2.710 21.302 10.429 63 HH2 TRP 11 HH TRP 11 -3.104 23.322 11.742 64 H GLN 12 H GLN 12 -7.377 19.559 12.277 65 HA GLN 12 HA GLN 12 -4.580 18.998 12.593 66 HB2 GLN 12 1HB GLN 12 -5.625 21.154 13.265 67 HB3 GLN 12 2HB GLN 12 -6.487 20.304 14.541 68 HG2 GLN 12 1HG GLN 12 -4.445 19.767 15.656 69 HG3 GLN 12 2HG GLN 12 -3.490 20.389 14.311 70 HE21 GLN 12 1HE2 GLN 12 -5.350 21.175 17.110 71 HE22 GLN 12 2HE2 GLN 12 -4.964 22.858 17.156 72 H GLN 13 H GLN 13 -3.965 17.021 13.193 73 HA GLN 13 HA GLN 13 -5.490 15.663 15.313 74 HB2 GLN 13 1HB GLN 13 -5.178 14.594 12.979 75 HB3 GLN 13 2HB GLN 13 -3.522 14.300 13.495 76 HG2 GLN 13 1HG GLN 13 -6.056 13.202 14.663 77 HG3 GLN 13 2HG GLN 13 -4.707 12.324 13.944 78 HE21 GLN 13 1HE2 GLN 13 -6.144 13.101 16.777 79 HE22 GLN 13 2HE2 GLN 13 -4.804 12.916 17.851 80 H ARG 14 H ARG 14 -2.286 16.636 14.250 81 HA ARG 14 HA ARG 14 -0.281 16.770 15.319 82 HB2 ARG 14 1HB ARG 14 -2.223 17.096 17.591 83 HB3 ARG 14 2HB ARG 14 -0.487 17.120 17.871 84 HG2 ARG 14 1HG ARG 14 -0.205 19.133 16.847 85 HG3 ARG 14 2HG ARG 14 -1.572 18.895 15.757 86 HD2 ARG 14 1HD ARG 14 -3.130 19.324 17.545 87 HD3 ARG 14 2HD ARG 14 -1.815 19.410 18.717 88 HE ARG 14 HE ARG 14 -2.598 21.452 16.812 89 HH11 ARG 14 2HH1 ARG 14 -0.207 20.302 19.067 90 HH12 ARG 14 1HH1 ARG 14 0.534 21.855 19.274 91 HH21 ARG 14 2HH2 ARG 14 -1.631 23.501 17.076 92 HH22 ARG 14 1HH2 ARG 14 -0.278 23.674 18.142 93 H GLU 15 H GLU 15 -0.908 14.216 14.623 94 HA GLU 15 HA GLU 15 -0.757 12.381 16.796 95 HB2 GLU 15 1HB GLU 15 -1.590 12.023 14.348 96 HB3 GLU 15 2HB GLU 15 0.102 11.690 14.008 97 HG2 GLU 15 1HG GLU 15 -0.690 9.586 14.418 98 HG3 GLU 15 2HG GLU 15 -0.108 10.045 16.017 99 H ARG 16 H ARG 16 0.965 12.272 18.079 100 HA ARG 16 HA ARG 16 3.636 12.655 16.925 101 HB2 ARG 16 1HB ARG 16 4.388 12.962 19.248 102 HB3 ARG 16 2HB ARG 16 3.111 14.091 18.818 103 HG2 ARG 16 1HG ARG 16 1.488 12.557 19.939 104 HG3 ARG 16 2HG ARG 16 2.869 11.616 20.508 105 HD2 ARG 16 1HD ARG 16 2.727 14.564 21.007 106 HD3 ARG 16 2HD ARG 16 1.849 13.440 22.044 107 HE ARG 16 HE ARG 16 4.291 12.385 22.100 108 HH11 ARG 16 2HH1 ARG 16 3.239 15.687 22.430 109 HH12 ARG 16 1HH1 ARG 16 4.552 16.138 23.467 110 HH21 ARG 16 2HH2 ARG 16 6.024 12.967 23.464 111 HH22 ARG 16 1HH2 ARG 16 6.136 14.590 24.054 112 H ARG 17 H ARG 17 5.185 11.096 16.996 113 HA ARG 17 HA ARG 17 4.492 8.544 18.285 114 HB2 ARG 17 1HB ARG 17 5.637 8.933 15.516 115 HB3 ARG 17 2HB ARG 17 5.554 7.383 16.341 116 HG2 ARG 17 1HG ARG 17 3.045 8.942 16.068 117 HG3 ARG 17 2HG ARG 17 3.703 8.162 14.628 118 HD2 ARG 17 1HD ARG 17 3.787 6.026 15.902 119 HD3 ARG 17 2HD ARG 17 2.975 6.841 17.238 120 HE ARG 17 HE ARG 17 1.796 5.989 14.736 121 HH11 ARG 17 2HH1 ARG 17 1.483 7.958 17.590 122 HH12 ARG 17 1HH1 ARG 17 -0.242 8.074 17.479 123 HH21 ARG 17 2HH2 ARG 17 -0.475 6.134 14.579 124 HH22 ARG 17 1HH2 ARG 17 -1.355 7.035 15.767 125 H ARG 18 H ARG 18 6.445 7.092 18.485 126 HA ARG 18 HA ARG 18 8.609 8.646 19.622 127 HB2 ARG 18 1HB ARG 18 8.090 5.669 19.546 128 HB3 ARG 18 2HB ARG 18 9.451 6.416 20.370 129 HG2 ARG 18 1HG ARG 18 6.630 7.192 21.012 130 HG3 ARG 18 2HG ARG 18 7.392 5.782 21.751 131 HD2 ARG 18 1HD ARG 18 9.133 7.148 22.690 132 HD3 ARG 18 2HD ARG 18 8.545 8.566 21.822 133 HE ARG 18 HE ARG 18 6.622 7.372 23.610 134 HH11 ARG 18 2HH1 ARG 18 9.196 9.690 23.260 135 HH12 ARG 18 1HH1 ARG 18 8.688 10.652 24.609 136 HH21 ARG 18 2HH2 ARG 18 5.944 8.630 25.388 137 HH22 ARG 18 1HH2 ARG 18 6.839 10.048 25.819 138 H TYR 19 H TYR 19 8.360 5.978 17.266 139 HA TYR 19 HA TYR 19 11.020 6.658 16.259 140 HB2 TYR 19 1HB TYR 19 9.214 4.279 15.835 141 HB3 TYR 19 2HB TYR 19 10.686 4.529 14.903 142 HD1 TYR 19 2HD TYR 19 9.846 4.892 18.531 143 HD2 TYR 19 1HD TYR 19 12.337 3.079 15.597 144 HE1 TYR 19 2HE TYR 19 11.151 3.813 20.314 145 HE2 TYR 19 1HE TYR 19 13.648 1.993 17.372 146 HH TYR 19 HH TYR 19 14.034 2.708 20.073 147 H LYS 20 H LYS 20 11.394 6.858 13.968 148 HA LYS 20 HA LYS 20 9.116 7.362 12.249 149 HB2 LYS 20 1HB LYS 20 9.262 9.530 13.206 150 HB3 LYS 20 2HB LYS 20 11.018 9.534 13.112 151 HG2 LYS 20 1HG LYS 20 10.817 9.537 10.629 152 HG3 LYS 20 2HG LYS 20 9.073 9.731 10.825 153 HD2 LYS 20 1HD LYS 20 9.277 11.872 11.680 154 HD3 LYS 20 2HD LYS 20 10.945 11.617 12.197 155 HE2 LYS 20 1HE LYS 20 10.143 11.656 9.300 156 HE3 LYS 20 2HE LYS 20 10.574 13.123 10.178 157 HZ1 LYS 20 1HZ LYS 20 12.317 11.521 8.887 158 HZ2 LYS 20 2HZ LYS 20 12.473 10.979 10.482 159 HZ3 LYS 20 3HZ LYS 20 12.732 12.610 10.114 160 H CYS 21 H CYS 21 9.556 6.859 10.182 161 HA CYS 21 HA CYS 21 12.015 5.633 9.514 162 HB2 CYS 21 1HB CYS 21 9.773 5.108 8.495 163 HB3 CYS 21 2HB CYS 21 9.902 6.612 7.588 164 H ASP 22 H ASP 22 13.847 6.756 9.359 165 HA ASP 22 HA ASP 22 13.875 9.486 8.415 166 HB2 ASP 22 1HB ASP 22 15.881 7.607 9.582 167 HB3 ASP 22 2HB ASP 22 16.466 8.983 8.651 168 H GLU 23 H GLU 23 12.908 7.771 6.453 169 HA GLU 23 HA GLU 23 15.059 7.940 4.451 170 HB2 GLU 23 1HB GLU 23 13.168 5.686 5.012 171 HB3 GLU 23 2HB GLU 23 13.748 5.944 3.373 172 HG2 GLU 23 1HG GLU 23 16.088 6.005 4.613 173 HG3 GLU 23 2HG GLU 23 15.205 5.026 5.782 174 H CYS 24 H CYS 24 11.573 7.900 5.051 175 HA CYS 24 HA CYS 24 11.222 9.549 2.635 176 HB2 CYS 24 1HB CYS 24 8.871 8.536 2.576 177 HB3 CYS 24 2HB CYS 24 10.202 7.496 2.079 178 H GLY 25 H GLY 25 9.823 8.709 5.797 179 HA2 GLY 25 1HA GLY 25 9.620 10.822 7.225 180 HA3 GLY 25 2HA GLY 25 8.629 11.403 5.895 181 H LYS 26 H LYS 26 8.722 8.166 7.329 182 HA LYS 26 HA LYS 26 5.857 8.458 7.934 183 HB2 LYS 26 1HB LYS 26 6.744 6.637 6.329 184 HB3 LYS 26 2HB LYS 26 7.328 5.838 7.783 185 HG2 LYS 26 1HG LYS 26 5.215 5.357 8.535 186 HG3 LYS 26 2HG LYS 26 4.478 6.694 7.649 187 HD2 LYS 26 1HD LYS 26 5.172 5.378 5.538 188 HD3 LYS 26 2HD LYS 26 5.350 4.008 6.637 189 HE2 LYS 26 1HE LYS 26 2.839 5.613 6.717 190 HE3 LYS 26 2HE LYS 26 3.077 4.467 5.399 191 HZ1 LYS 26 1HZ LYS 26 3.624 2.823 7.266 192 HZ2 LYS 26 2HZ LYS 26 2.002 3.230 7.013 193 HZ3 LYS 26 3HZ LYS 26 2.860 3.931 8.291 194 H SER 27 H SER 27 5.105 7.107 9.825 195 HA SER 27 HA SER 27 7.098 6.880 11.954 196 HB2 SER 27 1HB SER 27 5.546 8.065 13.533 197 HB3 SER 27 2HB SER 27 6.239 9.107 12.291 198 HG SER 27 HG SER 27 3.776 9.002 12.809 199 H PHE 28 H PHE 28 6.586 5.397 13.559 200 HA PHE 28 HA PHE 28 4.055 3.941 13.281 201 HB2 PHE 28 1HB PHE 28 6.761 2.606 13.504 202 HB3 PHE 28 2HB PHE 28 5.203 1.792 13.419 203 HD1 PHE 28 1HD PHE 28 7.549 3.931 11.523 204 HD2 PHE 28 2HD PHE 28 4.201 1.309 11.355 205 HE1 PHE 28 1HE PHE 28 7.720 3.875 9.069 206 HE2 PHE 28 2HE PHE 28 4.367 1.247 8.901 207 HZ PHE 28 HZ PHE 28 6.129 2.531 7.755 208 H SER 29 H SER 29 3.604 2.526 15.158 209 HA SER 29 HA SER 29 4.201 3.942 17.600 210 HB2 SER 29 1HB SER 29 2.562 1.433 17.167 211 HB3 SER 29 2HB SER 29 2.599 2.405 18.637 212 HG SER 29 HG SER 29 1.290 2.852 16.253 213 H HIS 30 H HIS 30 4.827 0.716 16.272 214 HA HIS 30 HA HIS 30 6.663 0.195 18.507 215 HB2 HIS 30 1HB HIS 30 4.715 -1.414 17.706 216 HB3 HIS 30 2HB HIS 30 5.927 -1.923 16.534 217 HD1 HIS 30 1HD HIS 30 7.845 -3.364 17.376 218 HD2 HIS 30 2HD HIS 30 5.350 -2.015 20.412 219 HE1 HIS 30 1HE HIS 30 8.521 -4.655 19.425 220 H SER 31 H SER 31 8.767 -0.583 18.108 221 HA SER 31 HA SER 31 10.054 0.619 15.877 222 HB2 SER 31 1HB SER 31 12.101 -0.511 16.773 223 HB3 SER 31 2HB SER 31 11.238 0.446 17.977 224 HG SER 31 HG SER 31 11.831 -2.158 18.029 225 H SER 32 H SER 32 9.461 -2.765 16.793 226 HA SER 32 HA SER 32 10.722 -4.114 14.794 227 HB2 SER 32 1HB SER 32 9.564 -5.325 16.519 228 HB3 SER 32 2HB SER 32 8.008 -4.676 16.004 229 HG SER 32 HG SER 32 9.534 -6.095 14.142 230 H ASP 33 H ASP 33 7.471 -2.689 14.602 231 HA ASP 33 HA ASP 33 6.810 -3.470 12.025 232 HB2 ASP 33 1HB ASP 33 6.085 -0.991 13.585 233 HB3 ASP 33 2HB ASP 33 5.394 -1.356 12.006 234 H LEU 34 H LEU 34 8.173 -0.308 12.968 235 HA LEU 34 HA LEU 34 8.590 0.786 10.505 236 HB2 LEU 34 1HB LEU 34 9.055 2.071 12.439 237 HB3 LEU 34 2HB LEU 34 10.279 0.928 12.988 238 HG LEU 34 HG LEU 34 11.681 1.611 11.034 239 HD11 LEU 34 1HD1 LEU 34 9.715 3.876 10.774 240 HD12 LEU 34 2HD1 LEU 34 9.763 2.485 9.692 241 HD13 LEU 34 3HD1 LEU 34 11.147 3.573 9.791 242 HD21 LEU 34 1HD2 LEU 34 12.463 2.613 12.922 243 HD22 LEU 34 2HD2 LEU 34 10.919 3.382 13.290 244 HD23 LEU 34 3HD2 LEU 34 11.961 4.052 12.034 245 H SER 35 H SER 35 10.958 -1.220 12.263 246 HA SER 35 HA SER 35 13.009 -1.321 10.492 247 HB2 SER 35 1HB SER 35 13.129 -2.502 12.599 248 HB3 SER 35 2HB SER 35 11.862 -3.619 12.093 249 HG SER 35 HG SER 35 14.378 -4.019 11.827 250 H LYS 36 H LYS 36 9.973 -3.106 10.275 251 HA LYS 36 HA LYS 36 10.725 -4.602 7.961 252 HB2 LYS 36 1HB LYS 36 8.114 -4.077 9.358 253 HB3 LYS 36 2HB LYS 36 8.168 -4.947 7.830 254 HG2 LYS 36 1HG LYS 36 9.185 -6.779 8.749 255 HG3 LYS 36 2HG LYS 36 9.932 -5.849 10.050 256 HD2 LYS 36 1HD LYS 36 7.758 -5.598 11.130 257 HD3 LYS 36 2HD LYS 36 6.991 -6.492 9.816 258 HE2 LYS 36 1HE LYS 36 9.233 -7.702 11.392 259 HE3 LYS 36 2HE LYS 36 7.582 -7.732 12.009 260 HZ1 LYS 36 1HZ LYS 36 8.542 -8.893 9.451 261 HZ2 LYS 36 2HZ LYS 36 6.916 -8.818 9.911 262 HZ3 LYS 36 3HZ LYS 36 8.008 -9.743 10.813 263 H HIS 37 H HIS 37 8.625 -1.775 8.475 264 HA HIS 37 HA HIS 37 7.723 -1.284 5.958 265 HB2 HIS 37 1HB HIS 37 6.941 0.248 7.496 266 HB3 HIS 37 2HB HIS 37 8.535 0.518 8.197 267 HD1 HIS 37 1HD HIS 37 6.649 1.330 4.998 268 HD2 HIS 37 2HD HIS 37 9.721 2.813 7.370 269 HE1 HIS 37 1HE HIS 37 7.269 3.547 3.986 270 H ARG 38 H ARG 38 10.780 0.032 7.248 271 HA ARG 38 HA ARG 38 11.821 1.350 5.168 272 HB2 ARG 38 1HB ARG 38 13.036 -0.427 7.206 273 HB3 ARG 38 2HB ARG 38 14.052 0.002 5.837 274 HG2 ARG 38 1HG ARG 38 14.566 1.662 7.334 275 HG3 ARG 38 2HG ARG 38 13.294 2.430 6.381 276 HD2 ARG 38 1HD ARG 38 12.509 2.902 8.463 277 HD3 ARG 38 2HD ARG 38 11.762 1.321 8.242 278 HE ARG 38 HE ARG 38 13.188 0.443 9.830 279 HH11 ARG 38 2HH1 ARG 38 14.129 3.698 9.031 280 HH12 ARG 38 1HH1 ARG 38 15.237 3.842 10.356 281 HH21 ARG 38 2HH2 ARG 38 14.644 0.620 11.578 282 HH22 ARG 38 1HH2 ARG 38 15.529 2.090 11.803 283 H ARG 39 H ARG 39 11.367 -2.113 5.315 284 HA ARG 39 HA ARG 39 12.966 -3.014 3.268 285 HB2 ARG 39 1HB ARG 39 10.170 -3.889 4.007 286 HB3 ARG 39 2HB ARG 39 11.220 -4.776 2.910 287 HG2 ARG 39 1HG ARG 39 12.781 -5.233 4.648 288 HG3 ARG 39 2HG ARG 39 11.953 -4.136 5.755 289 HD2 ARG 39 1HD ARG 39 10.151 -5.582 6.035 290 HD3 ARG 39 2HD ARG 39 10.517 -6.475 4.560 291 HE ARG 39 HE ARG 39 12.513 -6.656 6.647 292 HH11 ARG 39 2HH1 ARG 39 9.674 -8.054 5.196 293 HH12 ARG 39 1HH1 ARG 39 9.960 -9.634 5.846 294 HH21 ARG 39 2HH2 ARG 39 12.901 -8.732 7.509 295 HH22 ARG 39 1HH2 ARG 39 11.795 -10.018 7.162 296 H THR 40 H THR 40 9.662 -1.725 2.994 297 HA THR 40 HA THR 40 9.129 -2.009 0.355 298 HB THR 40 HB THR 40 7.522 -0.928 1.769 299 HG1 THR 40 1HG THR 40 7.963 -0.194 -0.608 300 HG21 THR 40 1HG2 THR 40 8.429 1.732 1.985 301 HG22 THR 40 2HG2 THR 40 9.757 0.702 2.521 302 HG23 THR 40 3HG2 THR 40 8.173 0.569 3.284 303 H HIS 41 H HIS 41 11.548 0.052 1.758 304 HA HIS 41 HA HIS 41 11.986 1.595 -0.636 305 HB2 HIS 41 1HB HIS 41 13.563 1.352 1.931 306 HB3 HIS 41 2HB HIS 41 13.989 2.443 0.616 307 HD1 HIS 41 1HD HIS 41 11.566 3.906 -0.077 308 HD2 HIS 41 2HD HIS 41 12.320 2.772 3.848 309 HE1 HIS 41 1HE HIS 41 10.183 5.451 1.347 310 H THR 42 H THR 42 12.369 -0.030 -2.196 311 HA THR 42 HA THR 42 15.014 -1.312 -1.963 312 HB THR 42 HB THR 42 14.140 -3.065 -3.530 313 HG1 THR 42 1HG THR 42 12.175 -2.869 -4.285 314 HG21 THR 42 1HG2 THR 42 14.130 -3.096 -0.898 315 HG22 THR 42 2HG2 THR 42 13.355 -4.387 -1.817 316 HG23 THR 42 3HG2 THR 42 12.381 -3.092 -1.120 317 H GLY 43 H GLY 43 12.624 0.018 -4.233 318 HA2 GLY 43 1HA GLY 43 13.292 1.660 -5.864 319 HA3 GLY 43 2HA GLY 43 14.873 0.894 -5.923 320 H GLU 44 H GLU 44 11.574 -0.419 -6.196 321 HA GLU 44 HA GLU 44 12.250 -1.333 -8.908 322 HB2 GLU 44 1HB GLU 44 10.942 -2.966 -6.727 323 HB3 GLU 44 2HB GLU 44 11.029 -3.456 -8.413 324 HG2 GLU 44 1HG GLU 44 13.575 -3.156 -8.133 325 HG3 GLU 44 2HG GLU 44 13.229 -3.216 -6.406 326 H LYS 45 H LYS 45 10.639 0.914 -7.845 327 HA LYS 45 HA LYS 45 8.175 0.298 -9.307 328 HB2 LYS 45 1HB LYS 45 8.378 1.381 -6.512 329 HB3 LYS 45 2HB LYS 45 6.995 1.771 -7.526 330 HG2 LYS 45 1HG LYS 45 6.196 -0.379 -7.505 331 HG3 LYS 45 2HG LYS 45 7.786 -1.081 -7.196 332 HD2 LYS 45 1HD LYS 45 6.615 0.687 -5.113 333 HD3 LYS 45 2HD LYS 45 5.926 -0.926 -5.310 334 HE2 LYS 45 1HE LYS 45 7.652 -1.025 -3.645 335 HE3 LYS 45 2HE LYS 45 8.214 -1.867 -5.088 336 HZ1 LYS 45 1HZ LYS 45 8.883 0.971 -4.622 337 HZ2 LYS 45 2HZ LYS 45 9.667 -0.152 -5.615 338 HZ3 LYS 45 3HZ LYS 45 9.810 -0.267 -3.934 339 HA PRO 46 HA PRO 46 9.496 4.111 -11.208 340 HB2 PRO 46 1HB PRO 46 7.500 4.199 -13.046 341 HB3 PRO 46 2HB PRO 46 8.907 3.142 -13.206 342 HG2 PRO 46 1HG PRO 46 6.152 2.494 -12.230 343 HG3 PRO 46 2HG PRO 46 7.201 1.566 -13.318 344 HD2 PRO 46 1HD PRO 46 6.925 0.961 -10.693 345 HD3 PRO 46 2HD PRO 46 8.437 0.689 -11.581 346 H TYR 47 H TYR 47 6.782 3.508 -9.323 347 HA TYR 47 HA TYR 47 5.910 6.317 -9.509 348 HB2 TYR 47 1HB TYR 47 4.267 4.016 -8.448 349 HB3 TYR 47 2HB TYR 47 3.716 5.645 -8.823 350 HD1 TYR 47 2HD TYR 47 3.606 6.379 -11.215 351 HD2 TYR 47 1HD TYR 47 4.364 2.338 -10.120 352 HE1 TYR 47 2HE TYR 47 3.002 5.656 -13.487 353 HE2 TYR 47 1HE TYR 47 3.762 1.604 -12.389 354 HH TYR 47 HH TYR 47 3.797 2.881 -14.806 355 H LYS 48 H LYS 48 5.328 7.382 -7.542 356 HA LYS 48 HA LYS 48 5.735 6.238 -4.986 357 HB2 LYS 48 1HB LYS 48 8.118 6.603 -6.088 358 HB3 LYS 48 2HB LYS 48 7.857 8.258 -5.554 359 HG2 LYS 48 1HG LYS 48 7.291 7.129 -3.271 360 HG3 LYS 48 2HG LYS 48 8.208 5.778 -3.940 361 HD2 LYS 48 1HD LYS 48 10.028 7.499 -4.454 362 HD3 LYS 48 2HD LYS 48 9.138 8.580 -3.377 363 HE2 LYS 48 1HE LYS 48 10.564 7.645 -1.865 364 HE3 LYS 48 2HE LYS 48 9.249 6.474 -1.776 365 HZ1 LYS 48 1HZ LYS 48 10.662 4.906 -2.391 366 HZ2 LYS 48 2HZ LYS 48 11.918 6.034 -2.499 367 HZ3 LYS 48 3HZ LYS 48 10.956 5.708 -3.852 368 H CYS 49 H CYS 49 5.159 7.638 -3.309 369 HA CYS 49 HA CYS 49 3.895 10.128 -4.217 370 HB2 CYS 49 1HB CYS 49 2.357 8.606 -3.149 371 HB3 CYS 49 2HB CYS 49 3.427 8.427 -1.762 372 H ASP 50 H ASP 50 3.935 11.973 -2.706 373 HA ASP 50 HA ASP 50 6.588 12.204 -1.462 374 HB2 ASP 50 1HB ASP 50 4.698 14.320 -2.510 375 HB3 ASP 50 2HB ASP 50 6.202 14.672 -1.662 376 H GLU 51 H GLU 51 3.179 13.072 -0.958 377 HA GLU 51 HA GLU 51 3.393 14.173 1.581 378 HB2 GLU 51 1HB GLU 51 1.142 12.575 0.355 379 HB3 GLU 51 2HB GLU 51 1.004 13.457 1.870 380 HG2 GLU 51 1HG GLU 51 0.093 14.907 0.315 381 HG3 GLU 51 2HG GLU 51 1.739 15.505 0.514 382 H CYS 52 H CYS 52 2.432 10.820 0.819 383 HA CYS 52 HA CYS 52 2.915 10.007 3.551 384 HB2 CYS 52 1HB CYS 52 2.140 7.800 2.802 385 HB3 CYS 52 2HB CYS 52 1.016 9.068 2.322 386 H GLY 53 H GLY 53 4.391 9.524 0.377 387 HA2 GLY 53 1HA GLY 53 6.644 9.119 -0.064 388 HA3 GLY 53 2HA GLY 53 6.911 8.874 1.656 389 H LYS 54 H LYS 54 4.589 7.257 -0.475 390 HA LYS 54 HA LYS 54 5.964 4.717 0.116 391 HB2 LYS 54 1HB LYS 54 3.717 4.967 1.172 392 HB3 LYS 54 2HB LYS 54 3.018 5.117 -0.435 393 HG2 LYS 54 1HG LYS 54 3.273 2.904 -0.908 394 HG3 LYS 54 2HG LYS 54 4.687 2.730 0.135 395 HD2 LYS 54 1HD LYS 54 3.003 1.554 1.253 396 HD3 LYS 54 2HD LYS 54 3.060 3.112 2.080 397 HE2 LYS 54 1HE LYS 54 0.808 2.941 1.776 398 HE3 LYS 54 2HE LYS 54 1.238 3.726 0.257 399 HZ1 LYS 54 1HZ LYS 54 1.299 0.814 0.289 400 HZ2 LYS 54 2HZ LYS 54 0.799 1.873 -0.931 401 HZ3 LYS 54 3HZ LYS 54 -0.229 1.536 0.369 402 H ALA 55 H ALA 55 5.986 3.113 -1.530 403 HA ALA 55 HA ALA 55 5.789 4.251 -4.235 404 HB1 ALA 55 1HB ALA 55 7.513 2.835 -4.921 405 HB2 ALA 55 2HB ALA 55 8.007 3.357 -3.310 406 HB3 ALA 55 3HB ALA 55 7.303 1.757 -3.541 407 H PHE 56 H PHE 56 4.879 3.022 -5.926 408 HA PHE 56 HA PHE 56 3.327 0.662 -5.132 409 HB2 PHE 56 1HB PHE 56 2.210 2.987 -6.714 410 HB3 PHE 56 2HB PHE 56 1.358 1.495 -6.330 411 HD1 PHE 56 2HD PHE 56 3.051 4.384 -4.711 412 HD2 PHE 56 1HD PHE 56 0.059 1.371 -4.423 413 HE1 PHE 56 2HE PHE 56 2.245 5.390 -2.616 414 HE2 PHE 56 1HE PHE 56 -0.753 2.373 -2.327 415 HZ PHE 56 HZ PHE 56 0.341 4.385 -1.421 416 H ILE 57 H ILE 57 2.893 -0.810 -6.794 417 HA ILE 57 HA ILE 57 4.837 -0.848 -8.892 418 HB ILE 57 HB ILE 57 2.481 -2.686 -8.449 419 HG12 ILE 57 1HG1 ILE 57 5.348 -3.272 -7.753 420 HG13 ILE 57 2HG1 ILE 57 4.290 -2.447 -6.613 421 HG21 ILE 57 1HG2 ILE 57 3.294 -2.819 -10.721 422 HG22 ILE 57 2HG2 ILE 57 4.952 -2.996 -10.148 423 HG23 ILE 57 3HG2 ILE 57 3.771 -4.268 -9.836 424 HD11 ILE 57 1HD1 ILE 57 2.799 -4.331 -6.568 425 HD12 ILE 57 2HD1 ILE 57 3.735 -5.144 -7.822 426 HD13 ILE 57 3HD1 ILE 57 4.442 -4.873 -6.230 427 H GLN 58 H GLN 58 1.267 -0.923 -8.958 428 HA GLN 58 HA GLN 58 1.300 -0.078 -11.742 429 HB2 GLN 58 1HB GLN 58 -0.935 -0.904 -9.888 430 HB3 GLN 58 2HB GLN 58 -1.199 -0.357 -11.538 431 HG2 GLN 58 1HG GLN 58 0.504 -2.719 -10.784 432 HG3 GLN 58 2HG GLN 58 -1.186 -2.819 -11.275 433 HE21 GLN 58 1HE2 GLN 58 0.594 -4.229 -12.684 434 HE22 GLN 58 2HE2 GLN 58 0.861 -3.518 -14.235 435 H ARG 59 H ARG 59 0.598 1.869 -12.497 436 HA ARG 59 HA ARG 59 0.841 4.136 -10.911 437 HB2 ARG 59 1HB ARG 59 -0.279 5.334 -12.801 438 HB3 ARG 59 2HB ARG 59 1.065 4.311 -13.291 439 HG2 ARG 59 1HG ARG 59 -0.887 2.554 -13.638 440 HG3 ARG 59 2HG ARG 59 -1.834 4.030 -13.831 441 HD2 ARG 59 1HD ARG 59 0.752 3.754 -15.291 442 HD3 ARG 59 2HD ARG 59 -0.669 2.900 -15.892 443 HE ARG 59 HE ARG 59 -1.519 5.467 -15.501 444 HH11 ARG 59 2HH1 ARG 59 1.036 3.959 -17.323 445 HH12 ARG 59 1HH1 ARG 59 1.043 5.169 -18.563 446 HH21 ARG 59 2HH2 ARG 59 -1.519 7.067 -17.127 447 HH22 ARG 59 1HH2 ARG 59 -0.410 6.937 -18.450 448 H SER 60 H SER 60 -2.101 2.458 -11.982 449 HA SER 60 HA SER 60 -4.047 4.129 -11.034 450 HB2 SER 60 1HB SER 60 -4.597 2.105 -12.258 451 HB3 SER 60 2HB SER 60 -4.001 1.103 -10.935 452 HG SER 60 HG SER 60 -6.264 1.299 -10.857 453 H HIS 61 H HIS 61 -2.367 1.600 -9.182 454 HA HIS 61 HA HIS 61 -3.615 1.729 -6.774 455 HB2 HIS 61 1HB HIS 61 -0.626 1.597 -7.219 456 HB3 HIS 61 2HB HIS 61 -1.449 1.154 -5.726 457 HD1 HIS 61 1HD HIS 61 -0.216 -1.205 -6.243 458 HD2 HIS 61 2HD HIS 61 -3.355 -0.149 -8.751 459 HE1 HIS 61 1HE HIS 61 -0.903 -3.333 -7.394 460 H LEU 62 H LEU 62 -1.328 4.065 -8.078 461 HA LEU 62 HA LEU 62 -1.349 5.647 -5.653 462 HB2 LEU 62 1HB LEU 62 0.712 5.594 -6.816 463 HB3 LEU 62 2HB LEU 62 -0.063 5.992 -8.348 464 HG LEU 62 HG LEU 62 -0.612 8.249 -7.305 465 HD11 LEU 62 1HD1 LEU 62 1.624 7.598 -5.418 466 HD12 LEU 62 2HD1 LEU 62 -0.063 7.354 -4.969 467 HD13 LEU 62 3HD1 LEU 62 0.512 8.967 -5.391 468 HD21 LEU 62 1HD2 LEU 62 1.959 8.879 -7.490 469 HD22 LEU 62 2HD2 LEU 62 0.992 8.459 -8.904 470 HD23 LEU 62 3HD2 LEU 62 2.046 7.252 -8.165 471 H ILE 63 H ILE 63 -2.678 5.816 -8.918 472 HA ILE 63 HA ILE 63 -3.651 8.353 -9.063 473 HB ILE 63 HB ILE 63 -5.137 5.853 -9.880 474 HG12 ILE 63 1HG1 ILE 63 -3.300 7.657 -11.470 475 HG13 ILE 63 2HG1 ILE 63 -2.866 6.069 -10.846 476 HG21 ILE 63 1HG2 ILE 63 -5.504 8.413 -11.315 477 HG22 ILE 63 2HG2 ILE 63 -6.653 7.114 -10.997 478 HG23 ILE 63 3HG2 ILE 63 -6.259 8.272 -9.727 479 HD11 ILE 63 1HD1 ILE 63 -4.546 6.809 -13.155 480 HD12 ILE 63 2HD1 ILE 63 -3.432 5.458 -12.940 481 HD13 ILE 63 3HD1 ILE 63 -5.043 5.395 -12.226 482 H GLY 64 H GLY 64 -5.474 5.611 -7.673 483 HA2 GLY 64 1HA GLY 64 -7.552 7.248 -6.642 484 HA3 GLY 64 2HA GLY 64 -7.242 5.575 -6.205 485 H HIS 65 H HIS 65 -4.568 5.990 -5.252 486 HA HIS 65 HA HIS 65 -4.997 6.440 -2.570 487 HB2 HIS 65 1HB HIS 65 -2.978 5.382 -3.114 488 HB3 HIS 65 2HB HIS 65 -2.528 6.630 -4.273 489 HD1 HIS 65 1HD HIS 65 -3.112 6.433 -0.511 490 HD2 HIS 65 2HD HIS 65 -0.637 8.280 -3.289 491 HE1 HIS 65 1HE HIS 65 -1.460 7.762 0.841 492 H HIS 66 H HIS 66 -4.229 8.762 -5.091 493 HA HIS 66 HA HIS 66 -3.504 10.973 -3.615 494 HB2 HIS 66 1HB HIS 66 -4.942 10.617 -6.212 495 HB3 HIS 66 2HB HIS 66 -4.837 12.231 -5.515 496 HD1 HIS 66 1HD HIS 66 -2.339 9.411 -6.120 497 HD2 HIS 66 2HD HIS 66 -2.707 13.529 -6.526 498 HE1 HIS 66 1HE HIS 66 -0.158 10.187 -7.102 499 H ARG 67 H ARG 67 -6.674 9.563 -4.045 500 HA ARG 67 HA ARG 67 -8.032 11.796 -2.802 501 HB2 ARG 67 1HB ARG 67 -8.843 9.224 -4.056 502 HB3 ARG 67 2HB ARG 67 -9.932 9.919 -2.863 503 HG2 ARG 67 1HG ARG 67 -10.341 11.808 -4.150 504 HG3 ARG 67 2HG ARG 67 -8.893 11.570 -5.130 505 HD2 ARG 67 1HD ARG 67 -9.913 9.562 -6.115 506 HD3 ARG 67 2HD ARG 67 -11.366 9.843 -5.157 507 HE ARG 67 HE ARG 67 -11.042 12.163 -6.528 508 HH11 ARG 67 2HH1 ARG 67 -11.216 8.811 -7.451 509 HH12 ARG 67 1HH1 ARG 67 -11.916 9.139 -9.002 510 HH21 ARG 67 2HH2 ARG 67 -11.963 12.608 -8.566 511 HH22 ARG 67 1HH2 ARG 67 -12.340 11.300 -9.635 512 H VAL 68 H VAL 68 -5.952 10.320 -1.310 513 HA VAL 68 HA VAL 68 -7.578 9.245 0.897 514 HB VAL 68 HB VAL 68 -4.658 8.791 0.271 515 HG11 VAL 68 1HG1 VAL 68 -5.335 8.905 2.730 516 HG12 VAL 68 2HG1 VAL 68 -6.240 7.421 2.425 517 HG13 VAL 68 3HG1 VAL 68 -4.492 7.453 2.190 518 HG21 VAL 68 1HG2 VAL 68 -6.441 7.635 -1.134 519 HG22 VAL 68 2HG2 VAL 68 -5.240 6.602 -0.360 520 HG23 VAL 68 3HG2 VAL 68 -6.857 6.744 0.330 521 H HIS 69 H HIS 69 -4.581 11.097 0.337 522 HA HIS 69 HA HIS 69 -4.295 12.074 2.937 523 HB2 HIS 69 1HB HIS 69 -3.380 13.132 0.268 524 HB3 HIS 69 2HB HIS 69 -2.988 13.951 1.777 525 HD1 HIS 69 1HD HIS 69 -2.001 11.924 3.613 526 HD2 HIS 69 2HD HIS 69 -1.277 11.624 -0.468 527 HE1 HIS 69 1HE HIS 69 -0.001 10.416 3.393 528 H THR 70 H THR 70 -6.235 12.792 3.785 529 HA THR 70 HA THR 70 -7.580 15.025 2.454 530 HB THR 70 HB THR 70 -8.444 13.491 4.912 531 HG1 THR 70 1HG THR 70 -8.354 12.523 2.580 532 HG21 THR 70 1HG2 THR 70 -10.566 14.731 3.445 533 HG22 THR 70 2HG2 THR 70 -9.341 15.940 3.830 534 HG23 THR 70 3HG2 THR 70 -10.079 14.989 5.119 535 H GLY 71 H GLY 71 -6.259 14.174 5.653 536 HA2 GLY 71 1HA GLY 71 -6.130 17.058 6.263 537 HA3 GLY 71 2HA GLY 71 -6.227 15.785 7.470 538 H SER 72 H SER 72 -4.279 17.913 7.292 539 HA SER 72 HA SER 72 -1.822 16.549 6.499 540 HB2 SER 72 1HB SER 72 -2.324 19.378 7.452 541 HB3 SER 72 2HB SER 72 -0.742 18.743 7.002 542 HG SER 72 HG SER 72 -1.311 19.394 5.082 543 H GLY 73 H GLY 73 -3.178 18.166 9.370 544 HA2 GLY 73 1HA GLY 73 -3.006 17.433 11.586 545 HA3 GLY 73 2HA GLY 73 -1.827 16.235 11.074 546 HA PRO 74 HA PRO 74 1.002 18.936 13.198 547 HB2 PRO 74 1HB PRO 74 3.204 17.402 12.789 548 HB3 PRO 74 2HB PRO 74 1.982 17.023 14.009 549 HG2 PRO 74 1HG PRO 74 2.335 15.884 11.263 550 HG3 PRO 74 2HG PRO 74 1.955 15.048 12.781 551 HD2 PRO 74 1HD PRO 74 0.066 15.649 10.936 552 HD3 PRO 74 2HD PRO 74 -0.278 15.610 12.677 553 H SER 75 H SER 75 1.009 20.703 11.787 554 HA SER 75 HA SER 75 2.173 20.686 9.214 555 HB2 SER 75 1HB SER 75 1.786 23.043 11.073 556 HB3 SER 75 2HB SER 75 2.031 23.120 9.329 557 HG SER 75 HG SER 75 -0.215 23.231 10.152 558 H SER 76 H SER 76 4.043 22.219 8.670 559 HA SER 76 HA SER 76 6.374 21.234 9.994 560 HB2 SER 76 1HB SER 76 5.815 22.983 7.651 561 HB3 SER 76 2HB SER 76 7.403 23.124 8.405 562 HG SER 76 HG SER 76 6.934 21.444 6.643 563 H GLY 77 H GLY 77 5.181 24.565 9.490 564 HA2 GLY 77 1HA GLY 77 6.805 25.429 11.775 565 HA3 GLY 77 2HA GLY 77 6.070 26.482 10.575 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -16.448 32.418 -15.747 2 HA2 GLY 1 1HA GLY 1 -15.589 30.402 -14.502 3 HA3 GLY 1 2HA GLY 1 -14.001 30.913 -15.055 4 H SER 2 H SER 2 -15.037 30.556 -12.325 5 HA SER 2 HA SER 2 -13.885 32.861 -11.152 6 HB2 SER 2 1HB SER 2 -16.294 33.575 -11.874 7 HB3 SER 2 2HB SER 2 -16.800 32.635 -10.471 8 HG SER 2 HG SER 2 -16.420 34.493 -9.516 9 H SER 3 H SER 3 -13.244 32.445 -9.099 10 HA SER 3 HA SER 3 -14.539 30.460 -7.466 11 HB2 SER 3 1HB SER 3 -13.183 29.029 -8.949 12 HB3 SER 3 2HB SER 3 -11.736 29.922 -8.480 13 HG SER 3 HG SER 3 -12.088 27.937 -7.299 14 H GLY 4 H GLY 4 -13.700 30.383 -5.308 15 HA2 GLY 4 1HA GLY 4 -11.495 31.678 -4.294 16 HA3 GLY 4 2HA GLY 4 -12.730 32.922 -4.418 17 H SER 5 H SER 5 -11.380 31.583 -2.087 18 HA SER 5 HA SER 5 -13.743 31.339 -0.464 19 HB2 SER 5 1HB SER 5 -11.903 28.945 -0.665 20 HB3 SER 5 2HB SER 5 -13.342 29.088 0.343 21 HG SER 5 HG SER 5 -14.185 28.134 -1.364 22 H SER 6 H SER 6 -13.168 30.988 1.858 23 HA SER 6 HA SER 6 -10.459 31.356 2.693 24 HB2 SER 6 1HB SER 6 -11.314 33.669 1.846 25 HB3 SER 6 2HB SER 6 -12.235 33.690 3.350 26 HG SER 6 HG SER 6 -9.955 33.050 4.199 27 H GLY 7 H GLY 7 -10.204 30.699 4.757 28 HA2 GLY 7 1HA GLY 7 -12.196 30.956 6.770 29 HA3 GLY 7 2HA GLY 7 -12.197 29.328 6.108 30 H ARG 8 H ARG 8 -11.050 31.145 8.565 31 HA ARG 8 HA ARG 8 -8.359 30.245 8.765 32 HB2 ARG 8 1HB ARG 8 -8.988 32.228 9.951 33 HB3 ARG 8 2HB ARG 8 -10.278 31.383 10.796 34 HG2 ARG 8 1HG ARG 8 -8.375 29.922 11.754 35 HG3 ARG 8 2HG ARG 8 -7.326 31.244 11.237 36 HD2 ARG 8 1HD ARG 8 -9.770 31.856 12.834 37 HD3 ARG 8 2HD ARG 8 -8.348 31.207 13.651 38 HE ARG 8 HE ARG 8 -7.397 33.277 12.142 39 HH11 ARG 8 2HH1 ARG 8 -9.839 32.925 14.598 40 HH12 ARG 8 1HH1 ARG 8 -9.655 34.540 15.197 41 HH21 ARG 8 2HH2 ARG 8 -7.145 35.406 12.922 42 HH22 ARG 8 1HH2 ARG 8 -8.122 35.951 14.242 43 H SER 9 H SER 9 -8.120 28.064 8.659 44 HA SER 9 HA SER 9 -9.046 26.543 10.961 45 HB2 SER 9 1HB SER 9 -9.769 25.880 8.110 46 HB3 SER 9 2HB SER 9 -9.733 24.648 9.371 47 HG SER 9 HG SER 9 -11.135 26.991 9.917 48 H GLU 10 H GLU 10 -8.024 24.347 11.019 49 HA GLU 10 HA GLU 10 -5.363 24.337 11.139 50 HB2 GLU 10 1HB GLU 10 -7.244 22.142 10.354 51 HB3 GLU 10 2HB GLU 10 -5.512 21.839 10.364 52 HG2 GLU 10 1HG GLU 10 -6.662 21.174 12.450 53 HG3 GLU 10 2HG GLU 10 -5.365 22.343 12.692 54 H TRP 11 H TRP 11 -3.873 25.045 9.772 55 HA TRP 11 HA TRP 11 -3.844 23.998 7.044 56 HB2 TRP 11 1HB TRP 11 -4.913 26.410 7.327 57 HB3 TRP 11 2HB TRP 11 -3.221 26.898 7.373 58 HD1 TRP 11 HD TRP 11 -5.636 24.963 5.039 59 HE1 TRP 11 1HE TRP 11 -4.854 25.326 2.613 60 HE3 TRP 11 3HE TRP 11 -1.384 27.651 5.950 61 HZ2 TRP 11 2HZ TRP 11 -2.717 26.584 1.265 62 HZ3 TRP 11 3HZ TRP 11 -0.027 28.396 4.037 63 HH2 TRP 11 HH TRP 11 -0.682 27.872 1.744 64 H GLN 12 H GLN 12 -1.831 23.590 6.275 65 HA GLN 12 HA GLN 12 0.424 23.295 6.249 66 HB2 GLN 12 1HB GLN 12 0.113 25.968 7.510 67 HB3 GLN 12 2HB GLN 12 1.684 25.192 7.654 68 HG2 GLN 12 1HG GLN 12 1.498 24.862 5.103 69 HG3 GLN 12 2HG GLN 12 0.249 26.101 5.196 70 HE21 GLN 12 1HE2 GLN 12 3.326 25.702 4.432 71 HE22 GLN 12 2HE2 GLN 12 3.989 27.224 4.911 72 H GLN 13 H GLN 13 -1.015 21.832 8.117 73 HA GLN 13 HA GLN 13 0.320 21.954 10.670 74 HB2 GLN 13 1HB GLN 13 -2.095 21.241 10.289 75 HB3 GLN 13 2HB GLN 13 -1.449 19.729 9.664 76 HG2 GLN 13 1HG GLN 13 -2.120 19.532 11.997 77 HG3 GLN 13 2HG GLN 13 -0.389 19.270 11.793 78 HE21 GLN 13 1HE2 GLN 13 -2.767 20.969 13.448 79 HE22 GLN 13 2HE2 GLN 13 -1.752 22.117 14.245 80 H ARG 14 H ARG 14 2.468 21.511 10.432 81 HA ARG 14 HA ARG 14 3.336 19.202 8.910 82 HB2 ARG 14 1HB ARG 14 4.547 21.481 9.111 83 HB3 ARG 14 2HB ARG 14 5.105 20.880 10.666 84 HG2 ARG 14 1HG ARG 14 6.810 20.429 9.090 85 HG3 ARG 14 2HG ARG 14 6.031 18.889 9.459 86 HD2 ARG 14 1HD ARG 14 4.852 18.888 7.408 87 HD3 ARG 14 2HD ARG 14 5.251 20.577 7.096 88 HE ARG 14 HE ARG 14 6.819 18.318 6.418 89 HH11 ARG 14 2HH1 ARG 14 7.068 21.604 7.539 90 HH12 ARG 14 1HH1 ARG 14 8.644 21.853 6.864 91 HH21 ARG 14 2HH2 ARG 14 8.894 18.633 5.524 92 HH22 ARG 14 1HH2 ARG 14 9.681 20.162 5.717 93 H GLU 15 H GLU 15 3.402 17.231 9.743 94 HA GLU 15 HA GLU 15 3.451 16.909 12.653 95 HB2 GLU 15 1HB GLU 15 2.834 14.918 10.463 96 HB3 GLU 15 2HB GLU 15 2.779 14.572 12.185 97 HG2 GLU 15 1HG GLU 15 1.013 16.252 12.455 98 HG3 GLU 15 2HG GLU 15 1.051 16.551 10.718 99 H ARG 16 H ARG 16 5.455 16.821 13.447 100 HA ARG 16 HA ARG 16 7.524 15.380 11.949 101 HB2 ARG 16 1HB ARG 16 9.116 16.493 13.476 102 HB3 ARG 16 2HB ARG 16 8.123 17.641 12.588 103 HG2 ARG 16 1HG ARG 16 6.657 17.820 14.594 104 HG3 ARG 16 2HG ARG 16 7.817 16.814 15.464 105 HD2 ARG 16 1HD ARG 16 8.830 19.218 14.038 106 HD3 ARG 16 2HD ARG 16 7.930 19.457 15.535 107 HE ARG 16 HE ARG 16 9.768 17.550 16.163 108 HH11 ARG 16 2HH1 ARG 16 9.935 20.747 14.795 109 HH12 ARG 16 1HH1 ARG 16 11.501 21.089 15.453 110 HH21 ARG 16 2HH2 ARG 16 11.830 17.987 17.034 111 HH22 ARG 16 1HH2 ARG 16 12.578 19.518 16.726 112 H ARG 17 H ARG 17 8.564 13.616 12.760 113 HA ARG 17 HA ARG 17 7.698 12.643 15.401 114 HB2 ARG 17 1HB ARG 17 7.689 11.270 12.760 115 HB3 ARG 17 2HB ARG 17 8.132 10.316 14.169 116 HG2 ARG 17 1HG ARG 17 5.841 9.983 13.946 117 HG3 ARG 17 2HG ARG 17 5.975 11.199 15.218 118 HD2 ARG 17 1HD ARG 17 5.574 12.956 13.525 119 HD3 ARG 17 2HD ARG 17 5.347 11.698 12.311 120 HE ARG 17 HE ARG 17 3.444 12.576 14.239 121 HH11 ARG 17 2HH1 ARG 17 4.534 9.788 12.462 122 HH12 ARG 17 1HH1 ARG 17 2.999 8.988 12.520 123 HH21 ARG 17 2HH2 ARG 17 1.417 11.533 14.321 124 HH22 ARG 17 1HH2 ARG 17 1.226 9.982 13.577 125 H ARG 18 H ARG 18 9.195 10.713 16.062 126 HA ARG 18 HA ARG 18 11.841 11.781 16.232 127 HB2 ARG 18 1HB ARG 18 10.546 9.256 17.235 128 HB3 ARG 18 2HB ARG 18 12.269 9.548 17.430 129 HG2 ARG 18 1HG ARG 18 11.395 10.279 19.437 130 HG3 ARG 18 2HG ARG 18 11.531 11.775 18.510 131 HD2 ARG 18 1HD ARG 18 9.186 11.704 17.963 132 HD3 ARG 18 2HD ARG 18 9.019 10.123 18.726 133 HE ARG 18 HE ARG 18 9.993 12.088 20.547 134 HH11 ARG 18 2HH1 ARG 18 7.115 10.882 19.003 135 HH12 ARG 18 1HH1 ARG 18 6.056 11.421 20.264 136 HH21 ARG 18 2HH2 ARG 18 8.609 12.803 22.213 137 HH22 ARG 18 1HH2 ARG 18 6.907 12.514 22.089 138 H TYR 19 H TYR 19 10.412 8.928 14.675 139 HA TYR 19 HA TYR 19 12.946 8.485 13.257 140 HB2 TYR 19 1HB TYR 19 10.559 6.673 13.656 141 HB3 TYR 19 2HB TYR 19 11.967 6.259 12.685 142 HD1 TYR 19 2HD TYR 19 11.270 7.576 16.120 143 HD2 TYR 19 1HD TYR 19 13.514 4.892 13.698 144 HE1 TYR 19 2HE TYR 19 12.396 6.713 18.129 145 HE2 TYR 19 1HE TYR 19 14.644 4.020 15.700 146 HH TYR 19 HH TYR 19 15.096 5.213 18.224 147 H LYS 20 H LYS 20 12.969 8.177 10.999 148 HA LYS 20 HA LYS 20 10.615 8.540 9.411 149 HB2 LYS 20 1HB LYS 20 11.178 10.878 10.194 150 HB3 LYS 20 2HB LYS 20 12.674 10.744 9.279 151 HG2 LYS 20 1HG LYS 20 11.323 10.352 7.234 152 HG3 LYS 20 2HG LYS 20 9.870 10.661 8.188 153 HD2 LYS 20 1HD LYS 20 10.557 12.908 8.633 154 HD3 LYS 20 2HD LYS 20 12.149 12.618 7.927 155 HE2 LYS 20 1HE LYS 20 11.024 13.742 6.236 156 HE3 LYS 20 2HE LYS 20 10.840 12.050 5.777 157 HZ1 LYS 20 1HZ LYS 20 8.685 12.516 7.358 158 HZ2 LYS 20 2HZ LYS 20 8.678 12.510 5.667 159 HZ3 LYS 20 3HZ LYS 20 8.838 13.970 6.506 160 H CYS 21 H CYS 21 10.919 7.305 7.688 161 HA CYS 21 HA CYS 21 13.495 6.290 6.999 162 HB2 CYS 21 1HB CYS 21 11.245 5.101 6.754 163 HB3 CYS 21 2HB CYS 21 11.009 6.075 5.306 164 H ASP 22 H ASP 22 14.691 8.185 6.504 165 HA ASP 22 HA ASP 22 14.101 10.194 4.746 166 HB2 ASP 22 1HB ASP 22 16.136 10.415 5.878 167 HB3 ASP 22 2HB ASP 22 16.686 8.811 5.398 168 H GLU 23 H GLU 23 14.848 6.877 4.017 169 HA GLU 23 HA GLU 23 15.655 6.968 1.394 170 HB2 GLU 23 1HB GLU 23 13.750 5.005 2.682 171 HB3 GLU 23 2HB GLU 23 14.535 4.758 1.128 172 HG2 GLU 23 1HG GLU 23 16.714 4.796 2.200 173 HG3 GLU 23 2HG GLU 23 15.953 5.096 3.761 174 H CYS 24 H CYS 24 12.299 6.934 2.582 175 HA CYS 24 HA CYS 24 11.439 7.877 -0.074 176 HB2 CYS 24 1HB CYS 24 9.135 7.057 0.798 177 HB3 CYS 24 2HB CYS 24 10.307 5.864 0.250 178 H GLY 25 H GLY 25 10.905 8.255 3.414 179 HA2 GLY 25 1HA GLY 25 10.918 10.638 4.160 180 HA3 GLY 25 2HA GLY 25 9.788 10.932 2.846 181 H LYS 26 H LYS 26 9.500 7.985 4.617 182 HA LYS 26 HA LYS 26 6.933 8.888 5.666 183 HB2 LYS 26 1HB LYS 26 7.499 6.615 4.431 184 HB3 LYS 26 2HB LYS 26 7.944 6.105 6.055 185 HG2 LYS 26 1HG LYS 26 5.743 6.501 6.868 186 HG3 LYS 26 2HG LYS 26 5.270 7.295 5.364 187 HD2 LYS 26 1HD LYS 26 6.268 4.488 5.255 188 HD3 LYS 26 2HD LYS 26 4.629 4.785 5.839 189 HE2 LYS 26 1HE LYS 26 4.375 4.430 3.540 190 HE3 LYS 26 2HE LYS 26 4.320 6.183 3.722 191 HZ1 LYS 26 1HZ LYS 26 6.277 6.447 2.655 192 HZ2 LYS 26 2HZ LYS 26 5.845 4.977 1.938 193 HZ3 LYS 26 3HZ LYS 26 6.936 4.999 3.231 194 H SER 27 H SER 27 6.316 8.157 7.888 195 HA SER 27 HA SER 27 8.586 8.111 9.747 196 HB2 SER 27 1HB SER 27 7.266 9.709 11.222 197 HB3 SER 27 2HB SER 27 7.974 10.414 9.769 198 HG SER 27 HG SER 27 6.014 11.046 9.370 199 H PHE 28 H PHE 28 7.968 7.430 11.941 200 HA PHE 28 HA PHE 28 5.432 6.029 12.185 201 HB2 PHE 28 1HB PHE 28 8.069 4.574 12.480 202 HB3 PHE 28 2HB PHE 28 6.471 3.894 12.770 203 HD1 PHE 28 1HD PHE 28 8.719 5.232 10.167 204 HD2 PHE 28 2HD PHE 28 5.163 3.048 11.003 205 HE1 PHE 28 1HE PHE 28 8.590 4.547 7.807 206 HE2 PHE 28 2HE PHE 28 5.029 2.358 8.645 207 HZ PHE 28 HZ PHE 28 6.744 3.107 7.044 208 H SER 29 H SER 29 4.826 5.605 14.315 209 HA SER 29 HA SER 29 6.061 7.311 16.271 210 HB2 SER 29 1HB SER 29 3.779 5.349 16.598 211 HB3 SER 29 2HB SER 29 4.228 6.619 17.735 212 HG SER 29 HG SER 29 3.931 7.943 15.606 213 H HIS 30 H HIS 30 5.936 3.876 15.600 214 HA HIS 30 HA HIS 30 7.630 3.375 17.956 215 HB2 HIS 30 1HB HIS 30 5.331 2.141 17.470 216 HB3 HIS 30 2HB HIS 30 6.355 1.138 16.446 217 HD1 HIS 30 1HD HIS 30 7.670 -0.659 17.582 218 HD2 HIS 30 2HD HIS 30 6.142 2.121 20.265 219 HE1 HIS 30 1HE HIS 30 8.156 -1.592 19.866 220 H SER 31 H SER 31 9.716 3.168 17.527 221 HA SER 31 HA SER 31 10.951 3.156 15.099 222 HB2 SER 31 1HB SER 31 12.944 2.373 16.198 223 HB3 SER 31 2HB SER 31 12.064 3.385 17.344 224 HG SER 31 HG SER 31 11.852 1.722 18.604 225 H SER 32 H SER 32 10.039 0.283 16.981 226 HA SER 32 HA SER 32 11.047 -1.735 15.464 227 HB2 SER 32 1HB SER 32 9.445 -1.742 17.566 228 HB3 SER 32 2HB SER 32 8.200 -2.000 16.344 229 HG SER 32 HG SER 32 10.550 -3.570 16.470 230 H ASP 33 H ASP 33 7.816 -0.311 14.955 231 HA ASP 33 HA ASP 33 7.012 -1.635 12.722 232 HB2 ASP 33 1HB ASP 33 6.635 1.217 13.575 233 HB3 ASP 33 2HB ASP 33 5.974 0.660 12.041 234 H LEU 34 H LEU 34 8.693 1.509 12.542 235 HA LEU 34 HA LEU 34 9.140 1.747 9.901 236 HB2 LEU 34 1HB LEU 34 10.051 3.486 11.046 237 HB3 LEU 34 2HB LEU 34 10.751 2.446 12.284 238 HG LEU 34 HG LEU 34 12.441 1.764 10.474 239 HD11 LEU 34 1HD1 LEU 34 11.008 2.902 8.679 240 HD12 LEU 34 2HD1 LEU 34 12.754 3.146 8.623 241 HD13 LEU 34 3HD1 LEU 34 11.707 4.410 9.270 242 HD21 LEU 34 1HD2 LEU 34 12.332 4.453 11.806 243 HD22 LEU 34 2HD2 LEU 34 13.734 3.931 10.872 244 HD23 LEU 34 3HD2 LEU 34 13.229 3.014 12.292 245 H SER 35 H SER 35 11.500 0.111 12.022 246 HA SER 35 HA SER 35 13.299 -0.861 10.306 247 HB2 SER 35 1HB SER 35 11.963 -2.327 12.582 248 HB3 SER 35 2HB SER 35 13.339 -2.996 11.706 249 HG SER 35 HG SER 35 13.568 -0.386 12.650 250 H LYS 36 H LYS 36 10.134 -2.384 10.855 251 HA LYS 36 HA LYS 36 10.476 -4.451 8.960 252 HB2 LYS 36 1HB LYS 36 7.919 -3.209 9.993 253 HB3 LYS 36 2HB LYS 36 8.037 -4.741 9.137 254 HG2 LYS 36 1HG LYS 36 8.977 -5.829 10.929 255 HG3 LYS 36 2HG LYS 36 9.613 -4.342 11.634 256 HD2 LYS 36 1HD LYS 36 7.853 -4.843 13.052 257 HD3 LYS 36 2HD LYS 36 7.108 -3.712 11.919 258 HE2 LYS 36 1HE LYS 36 7.011 -6.678 11.474 259 HE3 LYS 36 2HE LYS 36 5.833 -5.863 12.501 260 HZ1 LYS 36 1HZ LYS 36 6.049 -5.901 9.635 261 HZ2 LYS 36 2HZ LYS 36 5.848 -4.344 10.263 262 HZ3 LYS 36 3HZ LYS 36 4.714 -5.549 10.613 263 H HIS 37 H HIS 37 9.098 -1.208 8.744 264 HA HIS 37 HA HIS 37 8.062 -1.434 6.133 265 HB2 HIS 37 1HB HIS 37 7.244 0.401 7.312 266 HB3 HIS 37 2HB HIS 37 8.841 0.869 7.887 267 HD1 HIS 37 1HD HIS 37 6.528 1.228 4.983 268 HD2 HIS 37 2HD HIS 37 10.331 2.459 6.115 269 HE1 HIS 37 1HE HIS 37 7.178 3.010 3.331 270 H ARG 38 H ARG 38 11.170 -0.192 7.327 271 HA ARG 38 HA ARG 38 12.339 0.745 5.068 272 HB2 ARG 38 1HB ARG 38 13.687 -1.049 7.094 273 HB3 ARG 38 2HB ARG 38 14.502 0.050 5.990 274 HG2 ARG 38 1HG ARG 38 12.916 1.814 7.174 275 HG3 ARG 38 2HG ARG 38 12.994 0.622 8.473 276 HD2 ARG 38 1HD ARG 38 15.583 0.734 7.898 277 HD3 ARG 38 2HD ARG 38 15.129 2.340 7.329 278 HE ARG 38 HE ARG 38 14.038 2.357 9.743 279 HH11 ARG 38 2HH1 ARG 38 17.173 1.246 8.716 280 HH12 ARG 38 1HH1 ARG 38 17.941 1.609 10.226 281 HH21 ARG 38 2HH2 ARG 38 15.037 2.840 11.736 282 HH22 ARG 38 1HH2 ARG 38 16.725 2.515 11.943 283 H ARG 39 H ARG 39 11.603 -2.578 5.802 284 HA ARG 39 HA ARG 39 13.259 -3.894 3.991 285 HB2 ARG 39 1HB ARG 39 10.435 -4.657 4.757 286 HB3 ARG 39 2HB ARG 39 11.659 -5.731 4.093 287 HG2 ARG 39 1HG ARG 39 13.046 -5.272 6.119 288 HG3 ARG 39 2HG ARG 39 11.668 -4.396 6.787 289 HD2 ARG 39 1HD ARG 39 10.303 -6.425 6.605 290 HD3 ARG 39 2HD ARG 39 11.692 -7.295 5.957 291 HE ARG 39 HE ARG 39 12.157 -6.083 8.526 292 HH11 ARG 39 2HH1 ARG 39 10.998 -8.900 6.841 293 HH12 ARG 39 1HH1 ARG 39 11.277 -9.972 8.172 294 HH21 ARG 39 2HH2 ARG 39 12.529 -7.484 10.287 295 HH22 ARG 39 1HH2 ARG 39 12.147 -9.166 10.133 296 H THR 40 H THR 40 10.064 -2.446 3.517 297 HA THR 40 HA THR 40 9.373 -3.286 1.027 298 HB THR 40 HB THR 40 7.977 -1.743 2.293 299 HG1 THR 40 1HG THR 40 7.654 -1.819 0.030 300 HG21 THR 40 1HG2 THR 40 8.729 0.184 3.125 301 HG22 THR 40 2HG2 THR 40 9.198 0.746 1.520 302 HG23 THR 40 3HG2 THR 40 10.321 -0.215 2.481 303 H HIS 41 H HIS 41 12.085 -1.329 1.859 304 HA HIS 41 HA HIS 41 12.520 -0.459 -0.888 305 HB2 HIS 41 1HB HIS 41 14.273 0.003 1.531 306 HB3 HIS 41 2HB HIS 41 14.357 0.844 -0.015 307 HD1 HIS 41 1HD HIS 41 11.738 1.946 -0.555 308 HD2 HIS 41 2HD HIS 41 13.111 1.605 3.352 309 HE1 HIS 41 1HE HIS 41 10.384 3.593 0.780 310 H THR 42 H THR 42 12.557 -3.076 -1.018 311 HA THR 42 HA THR 42 15.409 -3.743 -1.269 312 HB THR 42 HB THR 42 14.877 -6.098 -0.638 313 HG1 THR 42 1HG THR 42 12.355 -4.918 -0.200 314 HG21 THR 42 1HG2 THR 42 15.673 -5.512 1.357 315 HG22 THR 42 2HG2 THR 42 14.075 -4.944 1.842 316 HG23 THR 42 3HG2 THR 42 15.200 -3.842 1.049 317 H GLY 43 H GLY 43 12.130 -4.879 -2.117 318 HA2 GLY 43 1HA GLY 43 12.946 -5.029 -4.914 319 HA3 GLY 43 2HA GLY 43 12.455 -6.538 -4.159 320 H GLU 44 H GLU 44 11.140 -3.260 -3.781 321 HA GLU 44 HA GLU 44 8.713 -4.040 -5.188 322 HB2 GLU 44 1HB GLU 44 8.894 -3.571 -2.251 323 HB3 GLU 44 2HB GLU 44 7.479 -2.959 -3.094 324 HG2 GLU 44 1HG GLU 44 8.301 -5.779 -3.550 325 HG3 GLU 44 2HG GLU 44 7.506 -5.356 -2.034 326 H LYS 45 H LYS 45 7.173 -2.162 -5.350 327 HA LYS 45 HA LYS 45 8.358 0.020 -6.537 328 HB2 LYS 45 1HB LYS 45 5.657 -0.483 -5.374 329 HB3 LYS 45 2HB LYS 45 6.070 1.165 -5.832 330 HG2 LYS 45 1HG LYS 45 4.946 0.178 -7.669 331 HG3 LYS 45 2HG LYS 45 6.653 0.296 -8.104 332 HD2 LYS 45 1HD LYS 45 6.983 -2.044 -7.611 333 HD3 LYS 45 2HD LYS 45 5.328 -2.187 -7.015 334 HE2 LYS 45 1HE LYS 45 5.069 -3.004 -9.138 335 HE3 LYS 45 2HE LYS 45 4.737 -1.295 -9.418 336 HZ1 LYS 45 1HZ LYS 45 7.149 -1.078 -10.003 337 HZ2 LYS 45 2HZ LYS 45 6.227 -1.989 -11.090 338 HZ3 LYS 45 3HZ LYS 45 7.246 -2.767 -9.986 339 HA PRO 46 HA PRO 46 9.977 2.456 -3.239 340 HB2 PRO 46 1HB PRO 46 10.162 4.828 -4.547 341 HB3 PRO 46 2HB PRO 46 11.268 3.481 -4.839 342 HG2 PRO 46 1HG PRO 46 8.870 4.338 -6.413 343 HG3 PRO 46 2HG PRO 46 10.463 3.820 -6.994 344 HD2 PRO 46 1HD PRO 46 8.313 2.174 -6.974 345 HD3 PRO 46 2HD PRO 46 9.970 1.583 -6.733 346 H TYR 47 H TYR 47 6.883 2.718 -4.456 347 HA TYR 47 HA TYR 47 6.129 4.559 -2.306 348 HB2 TYR 47 1HB TYR 47 4.994 4.771 -5.099 349 HB3 TYR 47 2HB TYR 47 4.646 5.820 -3.729 350 HD1 TYR 47 2HD TYR 47 6.346 7.425 -2.936 351 HD2 TYR 47 1HD TYR 47 6.973 5.064 -6.419 352 HE1 TYR 47 2HE TYR 47 8.172 8.925 -3.616 353 HE2 TYR 47 1HE TYR 47 8.802 6.557 -7.109 354 HH TYR 47 HH TYR 47 9.253 9.488 -6.126 355 H LYS 48 H LYS 48 4.647 3.637 -1.071 356 HA LYS 48 HA LYS 48 2.589 1.954 -2.298 357 HB2 LYS 48 1HB LYS 48 4.415 0.478 -1.457 358 HB3 LYS 48 2HB LYS 48 4.149 1.126 0.156 359 HG2 LYS 48 1HG LYS 48 1.852 -0.073 -1.311 360 HG3 LYS 48 2HG LYS 48 3.061 -1.134 -0.584 361 HD2 LYS 48 1HD LYS 48 2.698 -0.076 1.585 362 HD3 LYS 48 2HD LYS 48 1.513 1.016 0.864 363 HE2 LYS 48 1HE LYS 48 0.168 -0.622 1.784 364 HE3 LYS 48 2HE LYS 48 0.334 -1.173 0.118 365 HZ1 LYS 48 1HZ LYS 48 1.928 -2.156 2.424 366 HZ2 LYS 48 2HZ LYS 48 2.069 -2.693 0.826 367 HZ3 LYS 48 3HZ LYS 48 0.645 -2.981 1.693 368 H CYS 49 H CYS 49 0.708 2.822 -1.754 369 HA CYS 49 HA CYS 49 0.444 4.528 0.551 370 HB2 CYS 49 1HB CYS 49 -0.737 5.154 -1.453 371 HB3 CYS 49 2HB CYS 49 -1.544 3.591 -1.523 372 H ASP 50 H ASP 50 0.037 3.821 2.528 373 HA ASP 50 HA ASP 50 -0.791 1.124 3.032 374 HB2 ASP 50 1HB ASP 50 -0.349 3.484 4.868 375 HB3 ASP 50 2HB ASP 50 -0.770 1.870 5.434 376 H GLU 51 H GLU 51 -2.304 4.308 3.236 377 HA GLU 51 HA GLU 51 -4.609 3.844 4.579 378 HB2 GLU 51 1HB GLU 51 -4.379 5.353 1.969 379 HB3 GLU 51 2HB GLU 51 -5.700 5.505 3.119 380 HG2 GLU 51 1HG GLU 51 -2.821 6.235 3.598 381 HG3 GLU 51 2HG GLU 51 -4.165 7.350 3.354 382 H CYS 52 H CYS 52 -4.198 3.240 1.089 383 HA CYS 52 HA CYS 52 -6.591 1.542 1.157 384 HB2 CYS 52 1HB CYS 52 -6.611 1.743 -1.273 385 HB3 CYS 52 2HB CYS 52 -6.538 3.339 -0.534 386 H GLY 53 H GLY 53 -3.211 1.543 0.070 387 HA2 GLY 53 1HA GLY 53 -1.847 -0.414 0.514 388 HA3 GLY 53 2HA GLY 53 -3.273 -1.402 0.234 389 H LYS 54 H LYS 54 -2.377 1.307 -1.798 390 HA LYS 54 HA LYS 54 -2.009 -0.572 -4.022 391 HB2 LYS 54 1HB LYS 54 -3.675 1.483 -3.963 392 HB3 LYS 54 2HB LYS 54 -2.235 2.379 -4.429 393 HG2 LYS 54 1HG LYS 54 -2.057 1.288 -6.466 394 HG3 LYS 54 2HG LYS 54 -3.046 -0.074 -5.934 395 HD2 LYS 54 1HD LYS 54 -5.036 1.231 -6.033 396 HD3 LYS 54 2HD LYS 54 -4.119 2.722 -6.262 397 HE2 LYS 54 1HE LYS 54 -4.823 2.260 -8.411 398 HE3 LYS 54 2HE LYS 54 -3.220 1.526 -8.389 399 HZ1 LYS 54 1HZ LYS 54 -5.766 0.295 -8.756 400 HZ2 LYS 54 2HZ LYS 54 -4.898 -0.446 -7.507 401 HZ3 LYS 54 3HZ LYS 54 -4.221 -0.326 -9.053 402 H ALA 55 H ALA 55 -0.253 -0.381 -5.448 403 HA ALA 55 HA ALA 55 2.040 1.118 -4.358 404 HB1 ALA 55 1HB ALA 55 3.505 -0.602 -5.117 405 HB2 ALA 55 2HB ALA 55 2.202 -1.375 -4.214 406 HB3 ALA 55 3HB ALA 55 2.197 -1.416 -5.977 407 H PHE 56 H PHE 56 3.318 2.289 -5.746 408 HA PHE 56 HA PHE 56 2.650 2.268 -8.597 409 HB2 PHE 56 1HB PHE 56 2.962 4.890 -7.160 410 HB3 PHE 56 2HB PHE 56 2.249 4.576 -8.738 411 HD1 PHE 56 1HD PHE 56 0.002 3.568 -8.900 412 HD2 PHE 56 2HD PHE 56 1.678 4.750 -5.171 413 HE1 PHE 56 1HE PHE 56 -2.235 3.502 -7.878 414 HE2 PHE 56 2HE PHE 56 -0.556 4.685 -4.142 415 HZ PHE 56 HZ PHE 56 -2.516 4.060 -5.496 416 H ILE 57 H ILE 57 4.303 3.014 -9.965 417 HA ILE 57 HA ILE 57 6.955 2.727 -8.846 418 HB ILE 57 HB ILE 57 6.084 3.209 -11.698 419 HG12 ILE 57 1HG1 ILE 57 7.032 0.712 -11.715 420 HG13 ILE 57 2HG1 ILE 57 6.504 0.773 -10.037 421 HG21 ILE 57 1HG2 ILE 57 8.629 3.471 -10.512 422 HG22 ILE 57 2HG2 ILE 57 8.650 1.983 -11.457 423 HG23 ILE 57 3HG2 ILE 57 8.218 3.509 -12.226 424 HD11 ILE 57 1HD1 ILE 57 4.900 -0.087 -11.888 425 HD12 ILE 57 2HD1 ILE 57 4.288 0.956 -10.605 426 HD13 ILE 57 3HD1 ILE 57 4.639 1.629 -12.196 427 H GLN 58 H GLN 58 5.438 5.156 -10.981 428 HA GLN 58 HA GLN 58 7.461 7.086 -10.611 429 HB2 GLN 58 1HB GLN 58 5.507 6.863 -12.391 430 HB3 GLN 58 2HB GLN 58 4.678 7.932 -11.267 431 HG2 GLN 58 1HG GLN 58 5.934 9.005 -13.194 432 HG3 GLN 58 2HG GLN 58 6.220 9.653 -11.580 433 HE21 GLN 58 1HE2 GLN 58 8.249 10.343 -11.606 434 HE22 GLN 58 2HE2 GLN 58 9.621 9.410 -12.086 435 H ARG 59 H ARG 59 6.804 9.377 -9.790 436 HA ARG 59 HA ARG 59 6.093 9.044 -6.997 437 HB2 ARG 59 1HB ARG 59 8.041 10.395 -7.530 438 HB3 ARG 59 2HB ARG 59 7.067 11.448 -8.547 439 HG2 ARG 59 1HG ARG 59 7.244 12.686 -6.623 440 HG3 ARG 59 2HG ARG 59 5.711 11.852 -6.365 441 HD2 ARG 59 1HD ARG 59 6.884 11.639 -4.338 442 HD3 ARG 59 2HD ARG 59 7.055 10.079 -5.142 443 HE ARG 59 HE ARG 59 9.272 11.377 -5.929 444 HH11 ARG 59 2HH1 ARG 59 7.821 10.897 -2.801 445 HH12 ARG 59 1HH1 ARG 59 9.330 10.932 -1.951 446 HH21 ARG 59 2HH2 ARG 59 11.266 11.425 -4.821 447 HH22 ARG 59 1HH2 ARG 59 11.289 11.233 -3.101 448 H SER 60 H SER 60 5.093 11.255 -9.615 449 HA SER 60 HA SER 60 2.943 12.438 -8.357 450 HB2 SER 60 1HB SER 60 3.613 13.340 -10.443 451 HB3 SER 60 2HB SER 60 3.430 11.789 -11.262 452 HG SER 60 HG SER 60 1.650 12.994 -11.774 453 H HIS 61 H HIS 61 2.961 9.462 -10.297 454 HA HIS 61 HA HIS 61 0.407 8.741 -10.522 455 HB2 HIS 61 1HB HIS 61 2.592 6.953 -9.435 456 HB3 HIS 61 2HB HIS 61 1.063 6.383 -10.099 457 HD1 HIS 61 1HD HIS 61 2.936 5.122 -11.699 458 HD2 HIS 61 2HD HIS 61 2.296 9.184 -12.291 459 HE1 HIS 61 1HE HIS 61 3.831 5.616 -13.997 460 H LEU 62 H LEU 62 2.154 8.904 -7.487 461 HA LEU 62 HA LEU 62 -0.151 7.891 -6.012 462 HB2 LEU 62 1HB LEU 62 1.894 7.006 -5.245 463 HB3 LEU 62 2HB LEU 62 2.666 8.590 -5.242 464 HG LEU 62 HG LEU 62 1.101 9.212 -3.356 465 HD11 LEU 62 1HD1 LEU 62 0.620 6.236 -3.361 466 HD12 LEU 62 2HD1 LEU 62 -0.574 7.491 -3.686 467 HD13 LEU 62 3HD1 LEU 62 0.140 7.349 -2.080 468 HD21 LEU 62 1HD2 LEU 62 2.411 7.490 -1.783 469 HD22 LEU 62 2HD2 LEU 62 3.181 8.896 -2.519 470 HD23 LEU 62 3HD2 LEU 62 3.358 7.305 -3.259 471 H ILE 63 H ILE 63 1.736 10.842 -6.426 472 HA ILE 63 HA ILE 63 0.710 12.450 -4.453 473 HB ILE 63 HB ILE 63 1.277 13.296 -7.297 474 HG12 ILE 63 1HG1 ILE 63 3.214 12.195 -6.380 475 HG13 ILE 63 2HG1 ILE 63 3.509 13.930 -6.355 476 HG21 ILE 63 1HG2 ILE 63 0.738 15.358 -6.684 477 HG22 ILE 63 2HG2 ILE 63 0.228 14.746 -5.111 478 HG23 ILE 63 3HG2 ILE 63 1.890 15.284 -5.351 479 HD11 ILE 63 1HD1 ILE 63 4.286 13.207 -4.298 480 HD12 ILE 63 2HD1 ILE 63 2.673 13.818 -3.928 481 HD13 ILE 63 3HD1 ILE 63 2.947 12.082 -4.076 482 H GLY 64 H GLY 64 -0.786 11.533 -7.507 483 HA2 GLY 64 1HA GLY 64 -3.048 13.297 -7.104 484 HA3 GLY 64 2HA GLY 64 -2.836 12.151 -8.420 485 H HIS 65 H HIS 65 -2.461 9.798 -7.002 486 HA HIS 65 HA HIS 65 -5.015 8.873 -6.602 487 HB2 HIS 65 1HB HIS 65 -3.501 7.151 -6.776 488 HB3 HIS 65 2HB HIS 65 -2.323 7.936 -5.728 489 HD1 HIS 65 1HD HIS 65 -5.310 5.697 -5.653 490 HD2 HIS 65 2HD HIS 65 -2.626 7.417 -2.989 491 HE1 HIS 65 1HE HIS 65 -5.689 4.520 -3.464 492 H HIS 66 H HIS 66 -2.794 10.208 -4.191 493 HA HIS 66 HA HIS 66 -3.967 9.721 -1.826 494 HB2 HIS 66 1HB HIS 66 -2.637 12.145 -2.925 495 HB3 HIS 66 2HB HIS 66 -3.474 12.310 -1.384 496 HD1 HIS 66 1HD HIS 66 -0.425 10.906 -2.936 497 HD2 HIS 66 2HD HIS 66 -2.366 10.758 0.735 498 HE1 HIS 66 1HE HIS 66 1.253 9.950 -1.326 499 H ARG 67 H ARG 67 -5.217 11.879 -4.301 500 HA ARG 67 HA ARG 67 -7.100 13.370 -3.113 501 HB2 ARG 67 1HB ARG 67 -8.461 13.203 -5.104 502 HB3 ARG 67 2HB ARG 67 -6.763 13.202 -5.564 503 HG2 ARG 67 1HG ARG 67 -6.832 10.783 -5.852 504 HG3 ARG 67 2HG ARG 67 -8.529 10.771 -5.369 505 HD2 ARG 67 1HD ARG 67 -9.208 11.889 -7.307 506 HD3 ARG 67 2HD ARG 67 -7.575 12.448 -7.664 507 HE ARG 67 HE ARG 67 -7.290 9.799 -7.866 508 HH11 ARG 67 2HH1 ARG 67 -9.701 11.957 -9.150 509 HH12 ARG 67 1HH1 ARG 67 -10.008 10.989 -10.553 510 HH21 ARG 67 2HH2 ARG 67 -7.686 8.515 -9.709 511 HH22 ARG 67 1HH2 ARG 67 -8.862 9.031 -10.870 512 H VAL 68 H VAL 68 -7.477 9.912 -3.829 513 HA VAL 68 HA VAL 68 -10.054 9.447 -3.083 514 HB VAL 68 HB VAL 68 -9.391 7.197 -2.389 515 HG11 VAL 68 1HG1 VAL 68 -7.608 7.851 -4.697 516 HG12 VAL 68 2HG1 VAL 68 -8.690 6.476 -4.470 517 HG13 VAL 68 3HG1 VAL 68 -9.352 8.069 -4.839 518 HG21 VAL 68 1HG2 VAL 68 -6.874 6.691 -2.557 519 HG22 VAL 68 2HG2 VAL 68 -6.655 8.425 -2.318 520 HG23 VAL 68 3HG2 VAL 68 -7.473 7.461 -1.088 521 H HIS 69 H HIS 69 -7.259 9.543 -0.878 522 HA HIS 69 HA HIS 69 -9.042 9.480 1.424 523 HB2 HIS 69 1HB HIS 69 -6.038 9.722 1.494 524 HB3 HIS 69 2HB HIS 69 -7.110 9.118 2.754 525 HD1 HIS 69 1HD HIS 69 -8.609 6.907 1.627 526 HD2 HIS 69 2HD HIS 69 -4.708 7.653 0.405 527 HE1 HIS 69 1HE HIS 69 -7.778 4.736 0.667 528 H THR 70 H THR 70 -8.444 11.025 3.261 529 HA THR 70 HA THR 70 -7.495 13.630 2.426 530 HB THR 70 HB THR 70 -10.320 13.383 3.470 531 HG1 THR 70 1HG THR 70 -9.540 14.127 0.839 532 HG21 THR 70 1HG2 THR 70 -9.883 15.837 2.182 533 HG22 THR 70 2HG2 THR 70 -8.468 15.571 3.201 534 HG23 THR 70 3HG2 THR 70 -10.082 15.555 3.911 535 H GLY 71 H GLY 71 -6.401 14.527 4.052 536 HA2 GLY 71 1HA GLY 71 -7.276 14.139 6.804 537 HA3 GLY 71 2HA GLY 71 -5.700 13.477 6.395 538 H SER 72 H SER 72 -5.086 15.018 8.153 539 HA SER 72 HA SER 72 -4.943 17.802 7.257 540 HB2 SER 72 1HB SER 72 -4.527 18.407 9.499 541 HB3 SER 72 2HB SER 72 -5.719 17.112 9.613 542 HG SER 72 HG SER 72 -4.158 16.583 11.053 543 H GLY 73 H GLY 73 -3.122 18.678 6.503 544 HA2 GLY 73 1HA GLY 73 -0.623 18.770 7.059 545 HA3 GLY 73 2HA GLY 73 -0.665 17.058 6.661 546 HA PRO 74 HA PRO 74 0.528 19.270 2.808 547 HB2 PRO 74 1HB PRO 74 2.322 17.387 2.028 548 HB3 PRO 74 2HB PRO 74 2.729 18.699 3.141 549 HG2 PRO 74 1HG PRO 74 2.035 15.850 3.744 550 HG3 PRO 74 2HG PRO 74 3.308 16.865 4.447 551 HD2 PRO 74 1HD PRO 74 0.954 16.401 5.703 552 HD3 PRO 74 2HD PRO 74 1.845 17.926 5.879 553 H SER 75 H SER 75 -1.599 18.801 2.011 554 HA SER 75 HA SER 75 -1.625 16.877 -0.078 555 HB2 SER 75 1HB SER 75 -2.059 15.339 1.792 556 HB3 SER 75 2HB SER 75 -3.438 16.322 2.284 557 HG SER 75 HG SER 75 -3.953 15.853 -0.165 558 H SER 76 H SER 76 -3.180 17.330 -1.580 559 HA SER 76 HA SER 76 -5.066 19.491 -0.897 560 HB2 SER 76 1HB SER 76 -3.103 20.015 -2.497 561 HB3 SER 76 2HB SER 76 -3.991 19.048 -3.675 562 HG SER 76 HG SER 76 -5.811 20.575 -2.864 563 H GLY 77 H GLY 77 -7.156 19.053 -1.173 564 HA2 GLY 77 1HA GLY 77 -8.849 18.197 -2.781 565 HA3 GLY 77 2HA GLY 77 -7.865 16.744 -2.877 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -15.098 22.320 4.424 2 HA2 GLY 1 1HA GLY 1 -16.865 23.867 2.731 3 HA3 GLY 1 2HA GLY 1 -15.942 22.636 1.882 4 H SER 2 H SER 2 -18.480 23.251 4.183 5 HA SER 2 HA SER 2 -19.026 20.405 4.510 6 HB2 SER 2 1HB SER 2 -20.136 22.902 5.777 7 HB3 SER 2 2HB SER 2 -20.935 21.342 5.973 8 HG SER 2 HG SER 2 -18.481 22.231 6.962 9 H SER 3 H SER 3 -19.306 21.273 1.891 10 HA SER 3 HA SER 3 -22.227 21.346 1.515 11 HB2 SER 3 1HB SER 3 -20.078 22.156 -0.457 12 HB3 SER 3 2HB SER 3 -21.819 22.330 -0.674 13 HG SER 3 HG SER 3 -20.488 24.212 0.128 14 H GLY 4 H GLY 4 -22.791 19.227 1.439 15 HA2 GLY 4 1HA GLY 4 -23.032 17.625 -0.548 16 HA3 GLY 4 2HA GLY 4 -21.287 17.477 -0.395 17 H SER 5 H SER 5 -20.472 16.714 1.731 18 HA SER 5 HA SER 5 -22.339 14.743 2.879 19 HB2 SER 5 1HB SER 5 -19.321 14.560 2.703 20 HB3 SER 5 2HB SER 5 -20.405 13.323 3.337 21 HG SER 5 HG SER 5 -21.376 13.696 1.037 22 H SER 6 H SER 6 -22.892 15.063 4.921 23 HA SER 6 HA SER 6 -21.861 17.153 6.496 24 HB2 SER 6 1HB SER 6 -23.239 16.223 8.303 25 HB3 SER 6 2HB SER 6 -24.135 16.250 6.785 26 HG SER 6 HG SER 6 -23.447 14.141 8.343 27 H GLY 7 H GLY 7 -20.245 17.264 7.940 28 HA2 GLY 7 1HA GLY 7 -19.227 15.170 9.479 29 HA3 GLY 7 2HA GLY 7 -18.258 15.255 8.015 30 H ARG 8 H ARG 8 -17.252 15.688 10.614 31 HA ARG 8 HA ARG 8 -16.629 18.568 10.509 32 HB2 ARG 8 1HB ARG 8 -17.010 16.707 12.829 33 HB3 ARG 8 2HB ARG 8 -15.976 18.119 12.998 34 HG2 ARG 8 1HG ARG 8 -18.825 18.274 12.055 35 HG3 ARG 8 2HG ARG 8 -18.353 18.405 13.750 36 HD2 ARG 8 1HD ARG 8 -17.233 20.165 11.579 37 HD3 ARG 8 2HD ARG 8 -18.663 20.586 12.521 38 HE ARG 8 HE ARG 8 -15.936 20.739 13.369 39 HH11 ARG 8 2HH1 ARG 8 -19.209 20.260 14.456 40 HH12 ARG 8 1HH1 ARG 8 -18.897 20.826 16.063 41 HH21 ARG 8 2HH2 ARG 8 -15.513 21.487 15.482 42 HH22 ARG 8 1HH2 ARG 8 -16.794 21.524 16.646 43 H SER 9 H SER 9 -14.693 18.834 9.614 44 HA SER 9 HA SER 9 -12.557 16.922 10.292 45 HB2 SER 9 1HB SER 9 -11.477 17.646 8.167 46 HB3 SER 9 2HB SER 9 -13.052 16.894 7.914 47 HG SER 9 HG SER 9 -12.812 19.689 8.178 48 H GLU 10 H GLU 10 -11.773 17.926 12.121 49 HA GLU 10 HA GLU 10 -11.108 20.741 12.081 50 HB2 GLU 10 1HB GLU 10 -10.798 18.563 14.141 51 HB3 GLU 10 2HB GLU 10 -10.140 20.176 14.378 52 HG2 GLU 10 1HG GLU 10 -12.250 21.158 14.466 53 HG3 GLU 10 2HG GLU 10 -13.030 19.766 13.717 54 H TRP 11 H TRP 11 -9.486 21.086 10.623 55 HA TRP 11 HA TRP 11 -7.199 19.414 10.376 56 HB2 TRP 11 1HB TRP 11 -7.131 22.283 9.537 57 HB3 TRP 11 2HB TRP 11 -6.498 20.860 8.714 58 HD1 TRP 11 HD TRP 11 -8.065 19.652 6.996 59 HE1 TRP 11 1HE TRP 11 -10.392 20.184 6.033 60 HE3 TRP 11 3HE TRP 11 -9.451 23.362 10.229 61 HZ2 TRP 11 2HZ TRP 11 -12.531 21.945 6.573 62 HZ3 TRP 11 3HZ TRP 11 -11.653 24.419 9.936 63 HH2 TRP 11 HH TRP 11 -13.160 23.724 8.145 64 H GLN 12 H GLN 12 -7.869 22.409 12.121 65 HA GLN 12 HA GLN 12 -5.511 23.370 12.908 66 HB2 GLN 12 1HB GLN 12 -7.889 22.774 14.665 67 HB3 GLN 12 2HB GLN 12 -6.509 23.715 15.214 68 HG2 GLN 12 1HG GLN 12 -7.994 25.345 14.560 69 HG3 GLN 12 2HG GLN 12 -6.971 25.172 13.134 70 HE21 GLN 12 1HE2 GLN 12 -8.913 26.240 12.190 71 HE22 GLN 12 2HE2 GLN 12 -10.179 25.219 11.606 72 H GLN 13 H GLN 13 -6.986 20.477 14.360 73 HA GLN 13 HA GLN 13 -4.583 19.931 15.885 74 HB2 GLN 13 1HB GLN 13 -7.063 19.494 16.577 75 HB3 GLN 13 2HB GLN 13 -6.881 18.022 15.632 76 HG2 GLN 13 1HG GLN 13 -4.975 17.373 17.028 77 HG3 GLN 13 2HG GLN 13 -5.194 18.835 17.988 78 HE21 GLN 13 1HE2 GLN 13 -7.522 19.087 18.807 79 HE22 GLN 13 2HE2 GLN 13 -8.227 17.670 19.500 80 H ARG 14 H ARG 14 -2.991 19.476 14.386 81 HA ARG 14 HA ARG 14 -3.454 17.345 12.449 82 HB2 ARG 14 1HB ARG 14 -1.143 19.234 12.898 83 HB3 ARG 14 2HB ARG 14 -1.104 17.931 11.717 84 HG2 ARG 14 1HG ARG 14 -3.124 18.941 10.652 85 HG3 ARG 14 2HG ARG 14 -2.941 20.312 11.748 86 HD2 ARG 14 1HD ARG 14 -0.710 19.379 9.965 87 HD3 ARG 14 2HD ARG 14 -1.929 20.530 9.416 88 HE ARG 14 HE ARG 14 -0.915 21.487 11.819 89 HH11 ARG 14 2HH1 ARG 14 0.223 20.824 8.596 90 HH12 ARG 14 1HH1 ARG 14 1.443 22.054 8.633 91 HH21 ARG 14 2HH2 ARG 14 0.687 23.110 11.880 92 HH22 ARG 14 1HH2 ARG 14 1.706 23.353 10.502 93 H GLU 15 H GLU 15 -2.874 15.305 12.791 94 HA GLU 15 HA GLU 15 -1.981 14.291 15.185 95 HB2 GLU 15 1HB GLU 15 -1.630 12.217 14.076 96 HB3 GLU 15 2HB GLU 15 -2.970 13.005 13.256 97 HG2 GLU 15 1HG GLU 15 -1.767 13.386 11.348 98 HG3 GLU 15 2HG GLU 15 -0.221 13.393 12.194 99 H ARG 16 H ARG 16 0.095 13.030 15.531 100 HA ARG 16 HA ARG 16 2.382 14.636 14.593 101 HB2 ARG 16 1HB ARG 16 1.737 13.497 17.291 102 HB3 ARG 16 2HB ARG 16 3.413 13.761 16.828 103 HG2 ARG 16 1HG ARG 16 2.534 16.156 16.214 104 HG3 ARG 16 2HG ARG 16 1.257 15.737 17.358 105 HD2 ARG 16 1HD ARG 16 4.096 15.273 18.132 106 HD3 ARG 16 2HD ARG 16 3.467 16.920 18.156 107 HE ARG 16 HE ARG 16 2.828 14.793 19.979 108 HH11 ARG 16 2HH1 ARG 16 1.743 17.792 18.583 109 HH12 ARG 16 1HH1 ARG 16 0.689 18.176 19.904 110 HH21 ARG 16 2HH2 ARG 16 1.445 15.288 21.724 111 HH22 ARG 16 1HH2 ARG 16 0.522 16.752 21.691 112 H ARG 17 H ARG 17 4.513 13.294 15.132 113 HA ARG 17 HA ARG 17 4.138 10.500 14.325 114 HB2 ARG 17 1HB ARG 17 5.830 10.657 12.612 115 HB3 ARG 17 2HB ARG 17 4.586 11.858 12.295 116 HG2 ARG 17 1HG ARG 17 5.971 13.626 13.025 117 HG3 ARG 17 2HG ARG 17 7.144 12.510 13.726 118 HD2 ARG 17 1HD ARG 17 7.775 11.724 11.539 119 HD3 ARG 17 2HD ARG 17 6.499 12.681 10.786 120 HE ARG 17 HE ARG 17 8.358 14.258 12.297 121 HH11 ARG 17 2HH1 ARG 17 7.746 12.746 9.222 122 HH12 ARG 17 1HH1 ARG 17 8.772 13.826 8.339 123 HH21 ARG 17 2HH2 ARG 17 9.713 15.687 11.145 124 HH22 ARG 17 1HH2 ARG 17 9.891 15.499 9.434 125 H ARG 18 H ARG 18 5.800 9.091 14.946 126 HA ARG 18 HA ARG 18 7.602 10.197 16.993 127 HB2 ARG 18 1HB ARG 18 5.840 8.466 17.638 128 HB3 ARG 18 2HB ARG 18 6.794 7.306 16.723 129 HG2 ARG 18 1HG ARG 18 7.662 6.944 18.786 130 HG3 ARG 18 2HG ARG 18 8.734 8.243 18.259 131 HD2 ARG 18 1HD ARG 18 7.315 9.874 19.412 132 HD3 ARG 18 2HD ARG 18 6.250 8.572 19.939 133 HE ARG 18 HE ARG 18 8.983 8.195 20.728 134 HH11 ARG 18 2HH1 ARG 18 5.961 9.715 21.551 135 HH12 ARG 18 1HH1 ARG 18 6.317 9.805 23.244 136 HH21 ARG 18 2HH2 ARG 18 9.464 8.308 22.955 137 HH22 ARG 18 1HH2 ARG 18 8.310 9.005 24.042 138 H TYR 19 H TYR 19 7.450 7.607 14.547 139 HA TYR 19 HA TYR 19 10.380 7.714 14.347 140 HB2 TYR 19 1HB TYR 19 8.366 5.591 13.631 141 HB3 TYR 19 2HB TYR 19 10.023 5.536 13.040 142 HD1 TYR 19 2HD TYR 19 8.127 5.889 16.240 143 HD2 TYR 19 1HD TYR 19 11.608 4.408 14.292 144 HE1 TYR 19 2HE TYR 19 8.831 4.808 18.333 145 HE2 TYR 19 1HE TYR 19 12.321 3.321 16.380 146 HH TYR 19 HH TYR 19 11.286 4.061 19.285 147 H LYS 20 H LYS 20 11.343 7.557 12.207 148 HA LYS 20 HA LYS 20 9.701 8.257 9.927 149 HB2 LYS 20 1HB LYS 20 10.053 10.452 10.882 150 HB3 LYS 20 2HB LYS 20 11.780 10.155 11.026 151 HG2 LYS 20 1HG LYS 20 11.961 10.058 8.586 152 HG3 LYS 20 2HG LYS 20 10.231 10.381 8.453 153 HD2 LYS 20 1HD LYS 20 10.508 12.545 9.475 154 HD3 LYS 20 2HD LYS 20 12.211 12.216 9.800 155 HE2 LYS 20 1HE LYS 20 12.685 12.151 7.428 156 HE3 LYS 20 2HE LYS 20 10.975 12.355 7.052 157 HZ1 LYS 20 1HZ LYS 20 12.806 14.329 8.287 158 HZ2 LYS 20 2HZ LYS 20 11.126 14.520 8.283 159 HZ3 LYS 20 3HZ LYS 20 11.973 14.460 6.820 160 H CYS 21 H CYS 21 10.708 7.880 7.951 161 HA CYS 21 HA CYS 21 13.215 6.364 8.145 162 HB2 CYS 21 1HB CYS 21 11.020 5.425 7.108 163 HB3 CYS 21 2HB CYS 21 11.448 6.416 5.717 164 H ASP 22 H ASP 22 14.430 8.380 8.266 165 HA ASP 22 HA ASP 22 14.526 10.485 6.593 166 HB2 ASP 22 1HB ASP 22 17.054 8.992 7.282 167 HB3 ASP 22 2HB ASP 22 16.840 10.728 7.076 168 H GLU 23 H GLU 23 15.373 7.202 5.780 169 HA GLU 23 HA GLU 23 16.876 7.494 3.500 170 HB2 GLU 23 1HB GLU 23 14.821 5.485 4.334 171 HB3 GLU 23 2HB GLU 23 15.501 5.400 2.715 172 HG2 GLU 23 1HG GLU 23 17.097 5.357 5.266 173 HG3 GLU 23 2HG GLU 23 16.654 3.939 4.317 174 H CYS 24 H CYS 24 13.336 7.594 3.766 175 HA CYS 24 HA CYS 24 13.260 8.825 1.088 176 HB2 CYS 24 1HB CYS 24 10.826 7.924 1.114 177 HB3 CYS 24 2HB CYS 24 12.141 6.802 0.779 178 H GLY 25 H GLY 25 11.650 8.683 4.254 179 HA2 GLY 25 1HA GLY 25 11.436 11.006 5.252 180 HA3 GLY 25 2HA GLY 25 10.615 11.401 3.749 181 H LYS 26 H LYS 26 9.972 8.245 4.754 182 HA LYS 26 HA LYS 26 7.226 8.853 5.262 183 HB2 LYS 26 1HB LYS 26 8.441 6.674 4.303 184 HB3 LYS 26 2HB LYS 26 8.344 6.194 5.992 185 HG2 LYS 26 1HG LYS 26 6.364 5.357 5.307 186 HG3 LYS 26 2HG LYS 26 5.826 7.003 5.651 187 HD2 LYS 26 1HD LYS 26 6.604 7.356 3.128 188 HD3 LYS 26 2HD LYS 26 6.230 5.632 3.049 189 HE2 LYS 26 1HE LYS 26 4.372 7.829 3.959 190 HE3 LYS 26 2HE LYS 26 4.293 6.965 2.423 191 HZ1 LYS 26 1HZ LYS 26 4.287 5.016 4.362 192 HZ2 LYS 26 2HZ LYS 26 2.967 5.528 3.438 193 HZ3 LYS 26 3HZ LYS 26 3.252 6.214 4.957 194 H SER 27 H SER 27 6.083 8.022 7.219 195 HA SER 27 HA SER 27 7.687 8.054 9.660 196 HB2 SER 27 1HB SER 27 6.222 9.734 10.714 197 HB3 SER 27 2HB SER 27 7.057 10.400 9.310 198 HG SER 27 HG SER 27 4.681 9.281 8.631 199 H PHE 28 H PHE 28 6.945 6.686 11.172 200 HA PHE 28 HA PHE 28 4.195 5.678 10.918 201 HB2 PHE 28 1HB PHE 28 6.530 3.896 11.601 202 HB3 PHE 28 2HB PHE 28 4.885 3.418 11.196 203 HD1 PHE 28 1HD PHE 28 7.912 5.033 9.779 204 HD2 PHE 28 2HD PHE 28 4.317 2.890 9.006 205 HE1 PHE 28 1HE PHE 28 8.570 4.787 7.421 206 HE2 PHE 28 2HE PHE 28 4.970 2.639 6.647 207 HZ PHE 28 HZ PHE 28 7.099 3.587 5.852 208 H SER 29 H SER 29 3.159 5.153 12.825 209 HA SER 29 HA SER 29 4.030 6.514 15.153 210 HB2 SER 29 1HB SER 29 1.833 4.451 14.854 211 HB3 SER 29 2HB SER 29 2.039 5.545 16.221 212 HG SER 29 HG SER 29 0.592 6.532 14.909 213 H HIS 30 H HIS 30 3.870 3.078 14.289 214 HA HIS 30 HA HIS 30 5.322 2.405 16.744 215 HB2 HIS 30 1HB HIS 30 3.175 1.183 15.735 216 HB3 HIS 30 2HB HIS 30 4.412 0.296 14.849 217 HD1 HIS 30 1HD HIS 30 6.023 -1.203 16.247 218 HD2 HIS 30 2HD HIS 30 2.985 0.588 18.444 219 HE1 HIS 30 1HE HIS 30 5.993 -2.404 18.457 220 H SER 31 H SER 31 7.283 1.321 16.725 221 HA SER 31 HA SER 31 9.021 1.932 14.566 222 HB2 SER 31 1HB SER 31 10.721 0.710 15.859 223 HB3 SER 31 2HB SER 31 9.813 1.816 16.890 224 HG SER 31 HG SER 31 10.195 -0.519 17.561 225 H SER 32 H SER 32 7.830 -1.178 15.837 226 HA SER 32 HA SER 32 8.985 -2.972 14.186 227 HB2 SER 32 1HB SER 32 6.201 -2.834 15.294 228 HB3 SER 32 2HB SER 32 6.646 -4.155 14.214 229 HG SER 32 HG SER 32 7.033 -4.141 16.734 230 H ASP 33 H ASP 33 6.036 -1.147 13.381 231 HA ASP 33 HA ASP 33 5.607 -2.149 10.834 232 HB2 ASP 33 1HB ASP 33 5.047 0.576 12.003 233 HB3 ASP 33 2HB ASP 33 4.520 0.109 10.388 234 H LEU 34 H LEU 34 7.452 0.762 11.740 235 HA LEU 34 HA LEU 34 8.275 1.583 9.249 236 HB2 LEU 34 1HB LEU 34 8.777 2.964 11.080 237 HB3 LEU 34 2HB LEU 34 9.634 1.675 11.922 238 HG LEU 34 HG LEU 34 11.435 1.826 10.226 239 HD11 LEU 34 1HD1 LEU 34 10.400 2.687 8.314 240 HD12 LEU 34 2HD1 LEU 34 11.428 4.000 8.889 241 HD13 LEU 34 3HD1 LEU 34 9.692 4.040 9.196 242 HD21 LEU 34 1HD2 LEU 34 11.836 4.437 10.948 243 HD22 LEU 34 2HD2 LEU 34 12.242 3.029 11.930 244 HD23 LEU 34 3HD2 LEU 34 10.711 3.869 12.182 245 H SER 35 H SER 35 9.660 -0.950 11.281 246 HA SER 35 HA SER 35 11.971 -1.469 9.801 247 HB2 SER 35 1HB SER 35 11.586 -2.417 12.030 248 HB3 SER 35 2HB SER 35 10.276 -3.410 11.392 249 HG SER 35 HG SER 35 12.054 -4.174 9.884 250 H LYS 36 H LYS 36 8.674 -2.668 9.419 251 HA LYS 36 HA LYS 36 9.305 -4.509 7.333 252 HB2 LYS 36 1HB LYS 36 6.664 -3.269 8.129 253 HB3 LYS 36 2HB LYS 36 6.850 -4.602 6.997 254 HG2 LYS 36 1HG LYS 36 7.900 -5.921 8.830 255 HG3 LYS 36 2HG LYS 36 7.494 -4.607 9.936 256 HD2 LYS 36 1HD LYS 36 5.426 -5.964 8.225 257 HD3 LYS 36 2HD LYS 36 5.871 -6.568 9.823 258 HE2 LYS 36 1HE LYS 36 4.006 -5.210 10.211 259 HE3 LYS 36 2HE LYS 36 5.382 -4.201 10.655 260 HZ1 LYS 36 1HZ LYS 36 4.632 -3.954 7.893 261 HZ2 LYS 36 2HZ LYS 36 4.918 -2.751 9.046 262 HZ3 LYS 36 3HZ LYS 36 3.400 -3.490 8.955 263 H HIS 37 H HIS 37 8.653 -1.118 7.469 264 HA HIS 37 HA HIS 37 7.873 -0.791 4.743 265 HB2 HIS 37 1HB HIS 37 7.176 1.024 5.955 266 HB3 HIS 37 2HB HIS 37 8.592 1.007 7.001 267 HD1 HIS 37 1HD HIS 37 7.388 2.286 3.689 268 HD2 HIS 37 2HD HIS 37 10.730 2.570 6.141 269 HE1 HIS 37 1HE HIS 37 8.779 4.142 2.718 270 H ARG 38 H ARG 38 10.867 0.163 6.440 271 HA ARG 38 HA ARG 38 12.444 1.004 4.449 272 HB2 ARG 38 1HB ARG 38 13.007 -0.658 6.850 273 HB3 ARG 38 2HB ARG 38 14.293 -0.494 5.662 274 HG2 ARG 38 1HG ARG 38 14.788 1.270 7.002 275 HG3 ARG 38 2HG ARG 38 13.686 2.065 5.878 276 HD2 ARG 38 1HD ARG 38 12.887 2.754 7.940 277 HD3 ARG 38 2HD ARG 38 11.851 1.377 7.567 278 HE ARG 38 HE ARG 38 12.715 0.303 9.385 279 HH11 ARG 38 2HH1 ARG 38 14.880 2.872 8.474 280 HH12 ARG 38 1HH1 ARG 38 15.917 2.661 9.846 281 HH21 ARG 38 2HH2 ARG 38 14.072 0.015 11.195 282 HH22 ARG 38 1HH2 ARG 38 15.456 1.035 11.393 283 H ARG 39 H ARG 39 11.282 -2.246 4.834 284 HA ARG 39 HA ARG 39 13.094 -3.579 3.143 285 HB2 ARG 39 1HB ARG 39 10.203 -4.209 3.765 286 HB3 ARG 39 2HB ARG 39 11.319 -5.305 2.960 287 HG2 ARG 39 1HG ARG 39 12.720 -5.372 4.941 288 HG3 ARG 39 2HG ARG 39 11.654 -4.221 5.749 289 HD2 ARG 39 1HD ARG 39 11.191 -6.503 6.472 290 HD3 ARG 39 2HD ARG 39 9.814 -5.820 5.608 291 HE ARG 39 HE ARG 39 11.464 -7.251 3.820 292 HH11 ARG 39 2HH1 ARG 39 9.193 -7.738 6.414 293 HH12 ARG 39 1HH1 ARG 39 8.681 -9.294 5.849 294 HH21 ARG 39 2HH2 ARG 39 10.799 -9.299 3.066 295 HH22 ARG 39 1HH2 ARG 39 9.596 -10.181 3.945 296 H THR 40 H THR 40 9.925 -2.114 2.485 297 HA THR 40 HA THR 40 9.501 -2.774 -0.114 298 HB THR 40 HB THR 40 8.117 -1.212 1.384 299 HG1 THR 40 1HG THR 40 7.141 -1.390 -0.503 300 HG21 THR 40 1HG2 THR 40 9.587 0.551 1.881 301 HG22 THR 40 2HG2 THR 40 8.481 1.229 0.687 302 HG23 THR 40 3HG2 THR 40 10.097 0.715 0.202 303 H HIS 41 H HIS 41 11.954 -0.632 1.121 304 HA HIS 41 HA HIS 41 12.641 0.830 -1.121 305 HB2 HIS 41 1HB HIS 41 14.339 -0.292 1.104 306 HB3 HIS 41 2HB HIS 41 15.005 0.748 -0.152 307 HD1 HIS 41 1HD HIS 41 13.032 2.963 -0.382 308 HD2 HIS 41 2HD HIS 41 14.039 1.275 3.278 309 HE1 HIS 41 1HE HIS 41 12.469 4.707 1.341 310 H THR 42 H THR 42 13.840 -2.382 -0.168 311 HA THR 42 HA THR 42 14.975 -2.701 -2.859 312 HB THR 42 HB THR 42 16.558 -3.093 -1.043 313 HG1 THR 42 1HG THR 42 15.915 -5.648 -2.083 314 HG21 THR 42 1HG2 THR 42 15.707 -5.553 0.027 315 HG22 THR 42 2HG2 THR 42 14.326 -4.461 0.132 316 HG23 THR 42 3HG2 THR 42 15.865 -4.010 0.865 317 H GLY 43 H GLY 43 14.329 -4.313 -4.217 318 HA2 GLY 43 1HA GLY 43 13.013 -5.979 -5.091 319 HA3 GLY 43 2HA GLY 43 12.851 -6.591 -3.451 320 H GLU 44 H GLU 44 11.842 -3.404 -4.563 321 HA GLU 44 HA GLU 44 9.117 -4.054 -4.966 322 HB2 GLU 44 1HB GLU 44 9.977 -3.279 -2.228 323 HB3 GLU 44 2HB GLU 44 8.492 -2.562 -2.837 324 HG2 GLU 44 1HG GLU 44 7.971 -5.083 -3.457 325 HG3 GLU 44 2HG GLU 44 9.094 -5.374 -2.130 326 H LYS 45 H LYS 45 7.743 -1.927 -4.791 327 HA LYS 45 HA LYS 45 8.961 -0.043 -6.530 328 HB2 LYS 45 1HB LYS 45 6.327 -0.257 -5.134 329 HB3 LYS 45 2HB LYS 45 6.785 1.287 -5.842 330 HG2 LYS 45 1HG LYS 45 5.495 0.157 -7.461 331 HG3 LYS 45 2HG LYS 45 7.172 0.058 -8.003 332 HD2 LYS 45 1HD LYS 45 7.335 -2.209 -7.118 333 HD3 LYS 45 2HD LYS 45 5.674 -2.110 -6.529 334 HE2 LYS 45 1HE LYS 45 6.332 -1.685 -9.425 335 HE3 LYS 45 2HE LYS 45 6.118 -3.307 -8.766 336 HZ1 LYS 45 1HZ LYS 45 4.013 -2.792 -9.480 337 HZ2 LYS 45 2HZ LYS 45 4.138 -1.155 -9.073 338 HZ3 LYS 45 3HZ LYS 45 3.922 -2.314 -7.860 339 HA PRO 46 HA PRO 46 10.877 2.694 -3.663 340 HB2 PRO 46 1HB PRO 46 10.917 4.946 -5.179 341 HB3 PRO 46 2HB PRO 46 11.988 3.571 -5.473 342 HG2 PRO 46 1HG PRO 46 9.433 4.311 -6.848 343 HG3 PRO 46 2HG PRO 46 10.956 3.733 -7.551 344 HD2 PRO 46 1HD PRO 46 8.822 2.112 -7.162 345 HD3 PRO 46 2HD PRO 46 10.496 1.531 -7.050 346 H TYR 47 H TYR 47 7.672 2.812 -4.476 347 HA TYR 47 HA TYR 47 7.163 4.897 -2.482 348 HB2 TYR 47 1HB TYR 47 5.678 4.742 -5.111 349 HB3 TYR 47 2HB TYR 47 5.443 5.932 -3.836 350 HD1 TYR 47 2HD TYR 47 7.205 7.634 -3.401 351 HD2 TYR 47 1HD TYR 47 7.417 4.981 -6.721 352 HE1 TYR 47 2HE TYR 47 8.869 9.103 -4.461 353 HE2 TYR 47 1HE TYR 47 9.083 6.442 -7.789 354 HH TYR 47 HH TYR 47 10.680 8.143 -7.211 355 H LYS 48 H LYS 48 5.477 4.486 -1.143 356 HA LYS 48 HA LYS 48 3.489 2.491 -1.808 357 HB2 LYS 48 1HB LYS 48 5.064 0.952 -0.985 358 HB3 LYS 48 2HB LYS 48 5.595 2.041 0.289 359 HG2 LYS 48 1HG LYS 48 4.348 0.361 1.355 360 HG3 LYS 48 2HG LYS 48 3.294 1.775 1.299 361 HD2 LYS 48 1HD LYS 48 1.825 0.188 0.569 362 HD3 LYS 48 2HD LYS 48 2.532 0.656 -0.980 363 HE2 LYS 48 1HE LYS 48 4.264 -1.244 -0.337 364 HE3 LYS 48 2HE LYS 48 2.900 -1.827 0.615 365 HZ1 LYS 48 1HZ LYS 48 3.336 -2.163 -2.106 366 HZ2 LYS 48 2HZ LYS 48 2.016 -1.115 -1.965 367 HZ3 LYS 48 3HZ LYS 48 1.977 -2.630 -1.213 368 H CYS 49 H CYS 49 1.671 2.538 -0.438 369 HA CYS 49 HA CYS 49 1.555 4.918 1.291 370 HB2 CYS 49 1HB CYS 49 0.059 5.024 -0.647 371 HB3 CYS 49 2HB CYS 49 -0.677 3.496 -0.175 372 H ASP 50 H ASP 50 0.056 4.773 3.145 373 HA ASP 50 HA ASP 50 0.152 2.083 4.340 374 HB2 ASP 50 1HB ASP 50 0.533 4.821 5.473 375 HB3 ASP 50 2HB ASP 50 -0.145 3.569 6.511 376 H GLU 51 H GLU 51 -1.839 4.923 3.791 377 HA GLU 51 HA GLU 51 -4.067 4.185 5.324 378 HB2 GLU 51 1HB GLU 51 -3.721 5.931 2.903 379 HB3 GLU 51 2HB GLU 51 -5.316 5.635 3.579 380 HG2 GLU 51 1HG GLU 51 -2.976 6.980 4.893 381 HG3 GLU 51 2HG GLU 51 -4.543 7.676 4.483 382 H CYS 52 H CYS 52 -3.348 3.613 1.889 383 HA CYS 52 HA CYS 52 -5.605 1.743 1.763 384 HB2 CYS 52 1HB CYS 52 -5.480 1.930 -0.625 385 HB3 CYS 52 2HB CYS 52 -5.404 3.558 0.041 386 H GLY 53 H GLY 53 -2.120 1.964 1.245 387 HA2 GLY 53 1HA GLY 53 -0.576 0.240 1.606 388 HA3 GLY 53 2HA GLY 53 -1.905 -0.908 1.663 389 H LYS 54 H LYS 54 -1.066 1.451 -0.850 390 HA LYS 54 HA LYS 54 -0.772 -0.804 -2.725 391 HB2 LYS 54 1HB LYS 54 -2.750 0.534 -3.217 392 HB3 LYS 54 2HB LYS 54 -1.777 1.999 -3.253 393 HG2 LYS 54 1HG LYS 54 -0.581 1.175 -5.205 394 HG3 LYS 54 2HG LYS 54 -1.519 -0.320 -5.159 395 HD2 LYS 54 1HD LYS 54 -3.581 1.190 -5.334 396 HD3 LYS 54 2HD LYS 54 -2.451 2.465 -5.798 397 HE2 LYS 54 1HE LYS 54 -3.250 1.506 -7.811 398 HE3 LYS 54 2HE LYS 54 -1.608 0.904 -7.588 399 HZ1 LYS 54 1HZ LYS 54 -4.094 -0.578 -6.919 400 HZ2 LYS 54 2HZ LYS 54 -2.517 -1.156 -6.718 401 HZ3 LYS 54 3HZ LYS 54 -3.115 -0.856 -8.271 402 H ALA 55 H ALA 55 0.836 -0.669 -4.330 403 HA ALA 55 HA ALA 55 3.073 1.077 -3.591 404 HB1 ALA 55 1HB ALA 55 4.266 -0.780 -3.810 405 HB2 ALA 55 2HB ALA 55 2.870 -1.654 -4.441 406 HB3 ALA 55 3HB ALA 55 3.918 -0.756 -5.539 407 H PHE 56 H PHE 56 4.392 1.996 -5.331 408 HA PHE 56 HA PHE 56 3.082 2.348 -7.903 409 HB2 PHE 56 1HB PHE 56 3.914 4.829 -6.432 410 HB3 PHE 56 2HB PHE 56 2.823 4.669 -7.804 411 HD1 PHE 56 2HD PHE 56 3.149 3.982 -4.179 412 HD2 PHE 56 1HD PHE 56 0.516 4.478 -7.486 413 HE1 PHE 56 2HE PHE 56 1.227 3.991 -2.643 414 HE2 PHE 56 1HE PHE 56 -1.410 4.489 -5.956 415 HZ PHE 56 HZ PHE 56 -1.056 4.244 -3.531 416 H ILE 57 H ILE 57 4.494 2.692 -9.547 417 HA ILE 57 HA ILE 57 7.302 2.401 -8.948 418 HB ILE 57 HB ILE 57 5.935 2.715 -11.622 419 HG12 ILE 57 1HG1 ILE 57 6.523 0.182 -11.680 420 HG13 ILE 57 2HG1 ILE 57 6.612 0.327 -9.928 421 HG21 ILE 57 1HG2 ILE 57 8.617 1.469 -11.204 422 HG22 ILE 57 2HG2 ILE 57 7.934 2.200 -12.656 423 HG23 ILE 57 3HG2 ILE 57 8.466 3.222 -11.321 424 HD11 ILE 57 1HD1 ILE 57 4.192 1.347 -11.315 425 HD12 ILE 57 2HD1 ILE 57 4.399 -0.395 -11.126 426 HD13 ILE 57 3HD1 ILE 57 4.366 0.649 -9.705 427 H GLN 58 H GLN 58 5.374 4.760 -10.806 428 HA GLN 58 HA GLN 58 7.582 6.647 -10.746 429 HB2 GLN 58 1HB GLN 58 4.856 6.721 -12.037 430 HB3 GLN 58 2HB GLN 58 5.978 8.074 -12.087 431 HG2 GLN 58 1HG GLN 58 6.472 5.321 -13.197 432 HG3 GLN 58 2HG GLN 58 6.085 6.767 -14.127 433 HE21 GLN 58 1HE2 GLN 58 8.453 4.935 -14.056 434 HE22 GLN 58 2HE2 GLN 58 9.810 5.984 -13.853 435 H ARG 59 H ARG 59 6.747 9.049 -10.414 436 HA ARG 59 HA ARG 59 5.901 9.164 -7.658 437 HB2 ARG 59 1HB ARG 59 6.869 11.185 -9.657 438 HB3 ARG 59 2HB ARG 59 6.147 11.705 -8.140 439 HG2 ARG 59 1HG ARG 59 8.359 9.709 -8.091 440 HG3 ARG 59 2HG ARG 59 8.729 11.415 -8.352 441 HD2 ARG 59 1HD ARG 59 7.192 10.273 -6.021 442 HD3 ARG 59 2HD ARG 59 8.869 10.814 -5.984 443 HE ARG 59 HE ARG 59 7.016 12.830 -6.861 444 HH11 ARG 59 2HH1 ARG 59 8.536 11.333 -4.110 445 HH12 ARG 59 1HH1 ARG 59 8.328 12.711 -3.081 446 HH21 ARG 59 2HH2 ARG 59 6.737 14.651 -5.516 447 HH22 ARG 59 1HH2 ARG 59 7.304 14.598 -3.881 448 H SER 60 H SER 60 4.759 10.743 -10.649 449 HA SER 60 HA SER 60 2.499 11.955 -9.810 450 HB2 SER 60 1HB SER 60 3.238 11.989 -12.148 451 HB3 SER 60 2HB SER 60 2.753 10.304 -12.337 452 HG SER 60 HG SER 60 1.145 11.717 -13.110 453 H HIS 61 H HIS 61 2.989 8.513 -10.129 454 HA HIS 61 HA HIS 61 0.335 7.638 -10.031 455 HB2 HIS 61 1HB HIS 61 2.838 6.323 -8.957 456 HB3 HIS 61 2HB HIS 61 1.284 5.514 -9.138 457 HD1 HIS 61 1HD HIS 61 2.716 3.890 -10.740 458 HD2 HIS 61 2HD HIS 61 2.071 7.751 -12.131 459 HE1 HIS 61 1HE HIS 61 3.201 3.806 -13.205 460 H LEU 62 H LEU 62 2.627 8.310 -7.407 461 HA LEU 62 HA LEU 62 0.591 7.788 -5.403 462 HB2 LEU 62 1HB LEU 62 2.983 7.116 -5.123 463 HB3 LEU 62 2HB LEU 62 3.393 8.827 -5.019 464 HG LEU 62 HG LEU 62 1.623 8.765 -3.053 465 HD11 LEU 62 1HD1 LEU 62 1.787 6.658 -1.806 466 HD12 LEU 62 2HD1 LEU 62 2.654 5.934 -3.159 467 HD13 LEU 62 3HD1 LEU 62 0.979 6.448 -3.360 468 HD21 LEU 62 1HD2 LEU 62 3.941 9.448 -2.827 469 HD22 LEU 62 2HD2 LEU 62 4.461 7.763 -2.834 470 HD23 LEU 62 3HD2 LEU 62 3.487 8.380 -1.499 471 H ILE 63 H ILE 63 2.405 10.524 -6.709 472 HA ILE 63 HA ILE 63 1.822 12.568 -5.044 473 HB ILE 63 HB ILE 63 1.666 12.609 -8.057 474 HG12 ILE 63 1HG1 ILE 63 3.848 13.311 -6.085 475 HG13 ILE 63 2HG1 ILE 63 3.850 11.977 -7.234 476 HG21 ILE 63 1HG2 ILE 63 0.543 14.552 -7.559 477 HG22 ILE 63 2HG2 ILE 63 1.408 14.791 -6.042 478 HG23 ILE 63 3HG2 ILE 63 2.211 15.122 -7.577 479 HD11 ILE 63 1HD1 ILE 63 4.510 14.799 -7.618 480 HD12 ILE 63 2HD1 ILE 63 5.061 13.369 -8.491 481 HD13 ILE 63 3HD1 ILE 63 3.505 14.099 -8.886 482 H GLY 64 H GLY 64 -0.304 11.862 -7.827 483 HA2 GLY 64 1HA GLY 64 -2.444 13.436 -6.940 484 HA3 GLY 64 2HA GLY 64 -2.567 12.122 -8.101 485 H HIS 65 H HIS 65 -1.780 9.994 -6.443 486 HA HIS 65 HA HIS 65 -4.124 9.097 -5.386 487 HB2 HIS 65 1HB HIS 65 -2.185 7.650 -5.669 488 HB3 HIS 65 2HB HIS 65 -1.335 8.495 -4.379 489 HD1 HIS 65 1HD HIS 65 -4.479 6.407 -4.828 490 HD2 HIS 65 2HD HIS 65 -1.654 7.364 -1.936 491 HE1 HIS 65 1HE HIS 65 -5.040 4.973 -2.839 492 H HIS 66 H HIS 66 -1.573 10.823 -3.609 493 HA HIS 66 HA HIS 66 -2.439 10.807 -1.063 494 HB2 HIS 66 1HB HIS 66 -1.468 13.211 -2.618 495 HB3 HIS 66 2HB HIS 66 -1.623 13.174 -0.864 496 HD1 HIS 66 1HD HIS 66 0.603 12.189 -3.625 497 HD2 HIS 66 2HD HIS 66 0.217 11.388 0.434 498 HE1 HIS 66 1HE HIS 66 2.783 11.143 -2.936 499 H ARG 67 H ARG 67 -3.901 12.631 -3.698 500 HA ARG 67 HA ARG 67 -5.683 14.180 -2.185 501 HB2 ARG 67 1HB ARG 67 -6.099 13.095 -4.976 502 HB3 ARG 67 2HB ARG 67 -6.934 14.465 -4.256 503 HG2 ARG 67 1HG ARG 67 -3.959 14.499 -4.460 504 HG3 ARG 67 2HG ARG 67 -4.943 14.848 -5.883 505 HD2 ARG 67 1HD ARG 67 -4.573 16.947 -4.947 506 HD3 ARG 67 2HD ARG 67 -6.179 16.512 -4.363 507 HE ARG 67 HE ARG 67 -4.024 15.799 -2.583 508 HH11 ARG 67 2HH1 ARG 67 -6.312 18.252 -3.516 509 HH12 ARG 67 1HH1 ARG 67 -6.276 19.054 -1.980 510 HH21 ARG 67 2HH2 ARG 67 -3.968 16.846 -0.558 511 HH22 ARG 67 1HH2 ARG 67 -4.941 18.254 -0.299 512 H VAL 68 H VAL 68 -6.213 11.064 -3.832 513 HA VAL 68 HA VAL 68 -8.828 10.581 -3.232 514 HB VAL 68 HB VAL 68 -7.145 9.079 -4.474 515 HG11 VAL 68 1HG1 VAL 68 -6.947 7.347 -2.130 516 HG12 VAL 68 2HG1 VAL 68 -5.737 7.751 -3.349 517 HG13 VAL 68 3HG1 VAL 68 -6.019 8.839 -1.990 518 HG21 VAL 68 1HG2 VAL 68 -9.477 8.254 -2.828 519 HG22 VAL 68 2HG2 VAL 68 -9.275 8.262 -4.580 520 HG23 VAL 68 3HG2 VAL 68 -8.528 6.991 -3.613 521 H HIS 69 H HIS 69 -6.150 10.647 -1.033 522 HA HIS 69 HA HIS 69 -7.742 9.465 1.116 523 HB2 HIS 69 1HB HIS 69 -4.835 10.101 0.765 524 HB3 HIS 69 2HB HIS 69 -5.494 9.918 2.388 525 HD1 HIS 69 1HD HIS 69 -7.360 7.532 1.962 526 HD2 HIS 69 2HD HIS 69 -3.506 7.756 0.426 527 HE1 HIS 69 1HE HIS 69 -6.648 5.150 1.583 528 H THR 70 H THR 70 -8.019 10.550 3.136 529 HA THR 70 HA THR 70 -8.831 13.240 2.878 530 HB THR 70 HB THR 70 -8.336 11.667 5.414 531 HG1 THR 70 1HG THR 70 -10.540 11.180 5.259 532 HG21 THR 70 1HG2 THR 70 -10.229 13.975 5.100 533 HG22 THR 70 2HG2 THR 70 -8.535 14.237 5.515 534 HG23 THR 70 3HG2 THR 70 -9.565 13.278 6.577 535 H GLY 71 H GLY 71 -7.788 15.112 3.188 536 HA2 GLY 71 1HA GLY 71 -5.037 15.332 3.268 537 HA3 GLY 71 2HA GLY 71 -6.140 16.612 3.749 538 H SER 72 H SER 72 -4.096 16.931 5.138 539 HA SER 72 HA SER 72 -3.697 15.197 7.359 540 HB2 SER 72 1HB SER 72 -2.715 17.898 6.553 541 HB3 SER 72 2HB SER 72 -2.542 17.424 8.242 542 HG SER 72 HG SER 72 -1.362 16.329 5.950 543 H GLY 73 H GLY 73 -3.749 16.293 9.656 544 HA2 GLY 73 1HA GLY 73 -5.005 17.792 11.101 545 HA3 GLY 73 2HA GLY 73 -6.352 17.646 9.982 546 HA PRO 74 HA PRO 74 -7.906 14.741 12.949 547 HB2 PRO 74 1HB PRO 74 -10.119 14.029 11.547 548 HB3 PRO 74 2HB PRO 74 -9.988 15.558 12.423 549 HG2 PRO 74 1HG PRO 74 -9.610 15.009 9.505 550 HG3 PRO 74 2HG PRO 74 -10.460 16.353 10.289 551 HD2 PRO 74 1HD PRO 74 -7.953 16.596 9.295 552 HD3 PRO 74 2HD PRO 74 -8.509 17.502 10.717 553 H SER 75 H SER 75 -7.530 12.627 13.257 554 HA SER 75 HA SER 75 -6.959 10.974 10.887 555 HB2 SER 75 1HB SER 75 -5.056 11.431 12.496 556 HB3 SER 75 2HB SER 75 -5.942 10.485 13.691 557 HG SER 75 HG SER 75 -5.576 9.323 11.193 558 H SER 76 H SER 76 -8.535 9.596 10.439 559 HA SER 76 HA SER 76 -10.456 8.801 12.438 560 HB2 SER 76 1HB SER 76 -10.169 8.442 9.486 561 HB3 SER 76 2HB SER 76 -11.219 7.332 10.365 562 HG SER 76 HG SER 76 -11.396 10.165 10.321 563 H GLY 77 H GLY 77 -10.058 7.209 13.819 564 HA2 GLY 77 1HA GLY 77 -9.389 5.184 14.668 565 HA3 GLY 77 2HA GLY 77 -9.416 4.590 13.014 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -26.628 -13.197 6.125 2 HA2 GLY 1 1HA GLY 1 -24.315 -12.281 7.309 3 HA3 GLY 1 2HA GLY 1 -23.932 -12.413 5.599 4 H SER 2 H SER 2 -23.718 -9.977 6.623 5 HA SER 2 HA SER 2 -25.845 -8.535 5.278 6 HB2 SER 2 1HB SER 2 -26.458 -8.849 7.770 7 HB3 SER 2 2HB SER 2 -25.166 -7.690 8.087 8 HG SER 2 HG SER 2 -27.674 -7.285 7.063 9 H SER 3 H SER 3 -25.340 -6.080 5.410 10 HA SER 3 HA SER 3 -22.458 -5.577 5.506 11 HB2 SER 3 1HB SER 3 -24.230 -5.248 3.097 12 HB3 SER 3 2HB SER 3 -22.786 -4.256 3.301 13 HG SER 3 HG SER 3 -22.879 -6.637 2.285 14 H GLY 4 H GLY 4 -21.905 -3.309 5.590 15 HA2 GLY 4 1HA GLY 4 -24.141 -1.508 6.220 16 HA3 GLY 4 2HA GLY 4 -22.869 -1.729 7.411 17 H SER 5 H SER 5 -22.640 0.619 7.175 18 HA SER 5 HA SER 5 -21.999 2.051 4.955 19 HB2 SER 5 1HB SER 5 -22.150 2.941 7.296 20 HB3 SER 5 2HB SER 5 -20.524 2.320 7.584 21 HG SER 5 HG SER 5 -20.686 4.585 6.918 22 H SER 6 H SER 6 -20.062 2.651 3.893 23 HA SER 6 HA SER 6 -18.055 0.509 3.887 24 HB2 SER 6 1HB SER 6 -19.054 2.425 1.818 25 HB3 SER 6 2HB SER 6 -17.412 1.798 1.672 26 HG SER 6 HG SER 6 -18.476 -0.339 1.958 27 H GLY 7 H GLY 7 -18.306 4.058 3.742 28 HA2 GLY 7 1HA GLY 7 -15.560 4.182 4.831 29 HA3 GLY 7 2HA GLY 7 -16.208 5.371 3.711 30 H ARG 8 H ARG 8 -15.076 5.797 6.356 31 HA ARG 8 HA ARG 8 -17.112 7.533 7.381 32 HB2 ARG 8 1HB ARG 8 -17.360 6.569 9.567 33 HB3 ARG 8 2HB ARG 8 -17.747 5.334 8.376 34 HG2 ARG 8 1HG ARG 8 -15.636 4.260 8.706 35 HG3 ARG 8 2HG ARG 8 -15.075 5.578 9.737 36 HD2 ARG 8 1HD ARG 8 -17.434 3.805 10.359 37 HD3 ARG 8 2HD ARG 8 -15.806 3.554 10.988 38 HE ARG 8 HE ARG 8 -16.345 6.092 11.722 39 HH11 ARG 8 2HH1 ARG 8 -18.090 3.101 12.076 40 HH12 ARG 8 1HH1 ARG 8 -18.861 3.574 13.553 41 HH21 ARG 8 2HH2 ARG 8 -17.354 6.727 13.666 42 HH22 ARG 8 1HH2 ARG 8 -18.443 5.637 14.457 43 H SER 9 H SER 9 -16.318 8.764 9.305 44 HA SER 9 HA SER 9 -14.068 10.139 8.926 45 HB2 SER 9 1HB SER 9 -15.282 9.266 11.543 46 HB3 SER 9 2HB SER 9 -13.901 10.360 11.484 47 HG SER 9 HG SER 9 -16.079 10.969 9.861 48 H GLU 10 H GLU 10 -11.885 10.050 9.421 49 HA GLU 10 HA GLU 10 -10.774 7.386 9.551 50 HB2 GLU 10 1HB GLU 10 -9.861 9.140 8.038 51 HB3 GLU 10 2HB GLU 10 -9.346 10.048 9.452 52 HG2 GLU 10 1HG GLU 10 -7.412 8.970 8.877 53 HG3 GLU 10 2HG GLU 10 -8.086 7.857 10.065 54 H TRP 11 H TRP 11 -9.242 6.678 11.106 55 HA TRP 11 HA TRP 11 -9.762 7.766 13.766 56 HB2 TRP 11 1HB TRP 11 -9.696 5.196 12.884 57 HB3 TRP 11 2HB TRP 11 -8.055 5.371 13.500 58 HD1 TRP 11 HD TRP 11 -10.277 3.487 14.876 59 HE1 TRP 11 1HE TRP 11 -10.877 3.889 17.347 60 HE3 TRP 11 3HE TRP 11 -8.673 8.320 15.323 61 HZ2 TRP 11 2HZ TRP 11 -10.694 5.979 19.235 62 HZ3 TRP 11 3HZ TRP 11 -8.922 9.449 17.495 63 HH2 TRP 11 HH TRP 11 -9.913 8.302 19.409 64 H GLN 12 H GLN 12 -8.385 9.664 13.030 65 HA GLN 12 HA GLN 12 -5.674 9.222 14.011 66 HB2 GLN 12 1HB GLN 12 -5.500 9.045 11.565 67 HB3 GLN 12 2HB GLN 12 -6.261 10.621 11.395 68 HG2 GLN 12 1HG GLN 12 -4.405 11.747 12.223 69 HG3 GLN 12 2HG GLN 12 -3.740 10.295 12.970 70 HE21 GLN 12 1HE2 GLN 12 -4.802 11.278 9.725 71 HE22 GLN 12 2HE2 GLN 12 -3.394 10.702 8.906 72 H GLN 13 H GLN 13 -5.702 10.500 15.750 73 HA GLN 13 HA GLN 13 -6.259 13.340 15.359 74 HB2 GLN 13 1HB GLN 13 -7.754 11.506 17.166 75 HB3 GLN 13 2HB GLN 13 -7.389 13.119 17.762 76 HG2 GLN 13 1HG GLN 13 -8.557 14.124 15.923 77 HG3 GLN 13 2HG GLN 13 -8.804 12.549 15.170 78 HE21 GLN 13 1HE2 GLN 13 -10.607 14.728 16.295 79 HE22 GLN 13 2HE2 GLN 13 -11.718 13.864 17.297 80 H ARG 14 H ARG 14 -4.725 14.555 16.251 81 HA ARG 14 HA ARG 14 -2.889 15.182 17.438 82 HB2 ARG 14 1HB ARG 14 -4.544 14.865 19.306 83 HB3 ARG 14 2HB ARG 14 -3.884 13.252 19.537 84 HG2 ARG 14 1HG ARG 14 -2.807 14.554 21.138 85 HG3 ARG 14 2HG ARG 14 -1.628 14.410 19.833 86 HD2 ARG 14 1HD ARG 14 -1.703 16.693 20.635 87 HD3 ARG 14 2HD ARG 14 -2.324 16.611 18.987 88 HE ARG 14 HE ARG 14 -4.556 16.415 20.507 89 HH11 ARG 14 2HH1 ARG 14 -1.903 18.667 20.413 90 HH12 ARG 14 1HH1 ARG 14 -2.855 20.012 20.948 91 HH21 ARG 14 2HH2 ARG 14 -5.820 18.179 21.212 92 HH22 ARG 14 1HH2 ARG 14 -5.083 19.733 21.403 93 H GLU 15 H GLU 15 -2.252 13.408 15.547 94 HA GLU 15 HA GLU 15 -1.125 10.987 16.148 95 HB2 GLU 15 1HB GLU 15 -1.231 11.776 13.873 96 HB3 GLU 15 2HB GLU 15 -0.132 13.100 14.233 97 HG2 GLU 15 1HG GLU 15 0.809 10.322 14.696 98 HG3 GLU 15 2HG GLU 15 0.689 10.907 13.038 99 H ARG 16 H ARG 16 0.682 10.247 17.125 100 HA ARG 16 HA ARG 16 2.793 12.111 17.879 101 HB2 ARG 16 1HB ARG 16 2.753 11.447 20.222 102 HB3 ARG 16 2HB ARG 16 1.213 12.161 19.763 103 HG2 ARG 16 1HG ARG 16 0.438 9.738 19.392 104 HG3 ARG 16 2HG ARG 16 1.862 9.298 20.337 105 HD2 ARG 16 1HD ARG 16 0.220 9.444 21.959 106 HD3 ARG 16 2HD ARG 16 0.963 11.041 22.032 107 HE ARG 16 HE ARG 16 -1.061 11.395 20.281 108 HH11 ARG 16 2HH1 ARG 16 -0.893 10.036 23.481 109 HH12 ARG 16 1HH1 ARG 16 -2.509 10.497 23.904 110 HH21 ARG 16 2HH2 ARG 16 -3.189 12.009 20.825 111 HH22 ARG 16 1HH2 ARG 16 -3.814 11.619 22.391 112 H ARG 17 H ARG 17 4.656 11.205 17.340 113 HA ARG 17 HA ARG 17 5.090 8.365 17.862 114 HB2 ARG 17 1HB ARG 17 5.709 9.601 15.174 115 HB3 ARG 17 2HB ARG 17 5.947 7.924 15.646 116 HG2 ARG 17 1HG ARG 17 3.220 9.146 15.715 117 HG3 ARG 17 2HG ARG 17 3.906 8.548 14.203 118 HD2 ARG 17 1HD ARG 17 4.078 6.344 15.044 119 HD3 ARG 17 2HD ARG 17 3.775 6.875 16.698 120 HE ARG 17 HE ARG 17 1.515 7.587 15.386 121 HH11 ARG 17 2HH1 ARG 17 3.300 4.610 15.658 122 HH12 ARG 17 1HH1 ARG 17 1.901 3.603 15.484 123 HH21 ARG 17 2HH2 ARG 17 -0.334 6.272 15.155 124 HH22 ARG 17 1HH2 ARG 17 -0.166 4.550 15.197 125 H ARG 18 H ARG 18 7.493 7.844 17.197 126 HA ARG 18 HA ARG 18 9.182 10.096 18.069 127 HB2 ARG 18 1HB ARG 18 9.212 7.218 18.946 128 HB3 ARG 18 2HB ARG 18 10.638 8.235 19.100 129 HG2 ARG 18 1HG ARG 18 8.037 9.174 20.215 130 HG3 ARG 18 2HG ARG 18 8.989 7.975 21.093 131 HD2 ARG 18 1HD ARG 18 9.957 10.687 20.194 132 HD3 ARG 18 2HD ARG 18 9.492 10.253 21.838 133 HE ARG 18 HE ARG 18 11.559 8.581 20.753 134 HH11 ARG 18 2HH1 ARG 18 10.871 11.569 22.402 135 HH12 ARG 18 1HH1 ARG 18 12.441 11.683 23.126 136 HH21 ARG 18 2HH2 ARG 18 13.630 8.719 21.701 137 HH22 ARG 18 1HH2 ARG 18 14.009 10.062 22.726 138 H TYR 19 H TYR 19 9.503 6.815 16.695 139 HA TYR 19 HA TYR 19 11.866 7.512 15.245 140 HB2 TYR 19 1HB TYR 19 10.071 5.087 15.210 141 HB3 TYR 19 2HB TYR 19 11.485 5.235 14.172 142 HD1 TYR 19 2HD TYR 19 10.870 6.050 17.770 143 HD2 TYR 19 1HD TYR 19 13.166 3.855 14.940 144 HE1 TYR 19 2HE TYR 19 12.287 5.197 19.590 145 HE2 TYR 19 1HE TYR 19 14.589 2.995 16.752 146 HH TYR 19 HH TYR 19 14.519 2.639 19.136 147 H LYS 20 H LYS 20 12.131 7.924 13.086 148 HA LYS 20 HA LYS 20 9.728 8.079 11.410 149 HB2 LYS 20 1HB LYS 20 10.185 10.331 12.333 150 HB3 LYS 20 2HB LYS 20 11.797 10.273 11.633 151 HG2 LYS 20 1HG LYS 20 10.860 10.197 9.402 152 HG3 LYS 20 2HG LYS 20 9.226 10.159 10.068 153 HD2 LYS 20 1HD LYS 20 9.296 12.369 10.716 154 HD3 LYS 20 2HD LYS 20 11.057 12.390 10.830 155 HE2 LYS 20 1HE LYS 20 9.594 12.108 8.216 156 HE3 LYS 20 2HE LYS 20 10.029 13.674 8.899 157 HZ1 LYS 20 1HZ LYS 20 12.276 11.972 8.926 158 HZ2 LYS 20 2HZ LYS 20 12.071 13.443 8.117 159 HZ3 LYS 20 3HZ LYS 20 11.620 11.996 7.367 160 H CYS 21 H CYS 21 10.029 7.554 9.292 161 HA CYS 21 HA CYS 21 12.628 6.427 8.605 162 HB2 CYS 21 1HB CYS 21 10.391 5.222 8.265 163 HB3 CYS 21 2HB CYS 21 10.135 6.323 6.914 164 H ASP 22 H ASP 22 13.553 8.633 8.473 165 HA ASP 22 HA ASP 22 12.953 10.706 6.893 166 HB2 ASP 22 1HB ASP 22 15.251 11.223 6.717 167 HB3 ASP 22 2HB ASP 22 15.106 10.294 8.207 168 H GLU 23 H GLU 23 13.950 7.549 5.760 169 HA GLU 23 HA GLU 23 14.630 8.015 3.148 170 HB2 GLU 23 1HB GLU 23 13.295 5.761 4.557 171 HB3 GLU 23 2HB GLU 23 13.261 5.748 2.799 172 HG2 GLU 23 1HG GLU 23 15.701 5.892 2.753 173 HG3 GLU 23 2HG GLU 23 15.730 5.891 4.516 174 H CYS 24 H CYS 24 11.329 7.424 4.357 175 HA CYS 24 HA CYS 24 10.294 8.626 1.877 176 HB2 CYS 24 1HB CYS 24 8.131 7.477 2.564 177 HB3 CYS 24 2HB CYS 24 9.450 6.418 2.073 178 H GLY 25 H GLY 25 9.724 8.478 5.387 179 HA2 GLY 25 1HA GLY 25 9.572 10.753 6.438 180 HA3 GLY 25 2HA GLY 25 8.407 11.116 5.173 181 H LYS 26 H LYS 26 8.508 7.994 6.721 182 HA LYS 26 HA LYS 26 5.849 8.520 7.834 183 HB2 LYS 26 1HB LYS 26 7.288 6.097 6.889 184 HB3 LYS 26 2HB LYS 26 6.141 5.883 8.206 185 HG2 LYS 26 1HG LYS 26 4.338 6.332 6.898 186 HG3 LYS 26 2HG LYS 26 5.236 7.424 5.841 187 HD2 LYS 26 1HD LYS 26 4.726 5.496 4.554 188 HD3 LYS 26 2HD LYS 26 6.442 5.395 4.957 189 HE2 LYS 26 1HE LYS 26 6.143 3.633 6.384 190 HE3 LYS 26 2HE LYS 26 4.494 4.104 6.795 191 HZ1 LYS 26 1HZ LYS 26 5.344 2.214 4.908 192 HZ2 LYS 26 2HZ LYS 26 4.555 3.460 4.079 193 HZ3 LYS 26 3HZ LYS 26 3.761 2.641 5.327 194 H SER 27 H SER 27 5.400 7.211 9.914 195 HA SER 27 HA SER 27 7.681 7.106 11.722 196 HB2 SER 27 1HB SER 27 6.539 8.527 13.408 197 HB3 SER 27 2HB SER 27 6.950 9.419 11.944 198 HG SER 27 HG SER 27 4.439 8.223 12.036 199 H PHE 28 H PHE 28 7.342 5.828 13.552 200 HA PHE 28 HA PHE 28 4.734 4.535 13.838 201 HB2 PHE 28 1HB PHE 28 7.316 2.973 13.635 202 HB3 PHE 28 2HB PHE 28 5.703 2.308 13.868 203 HD1 PHE 28 1HD PHE 28 7.685 4.355 11.476 204 HD2 PHE 28 2HD PHE 28 4.474 1.618 12.039 205 HE1 PHE 28 1HE PHE 28 7.410 4.182 9.038 206 HE2 PHE 28 2HE PHE 28 4.194 1.440 9.601 207 HZ PHE 28 HZ PHE 28 5.664 2.723 8.097 208 H SER 29 H SER 29 4.545 3.303 15.864 209 HA SER 29 HA SER 29 5.762 4.771 18.028 210 HB2 SER 29 1HB SER 29 3.826 2.443 18.096 211 HB3 SER 29 2HB SER 29 4.274 3.450 19.473 212 HG SER 29 HG SER 29 2.293 4.093 18.472 213 H HIS 30 H HIS 30 5.768 1.417 16.874 214 HA HIS 30 HA HIS 30 7.916 0.783 18.764 215 HB2 HIS 30 1HB HIS 30 5.741 -0.658 18.271 216 HB3 HIS 30 2HB HIS 30 6.736 -1.278 16.958 217 HD1 HIS 30 1HD HIS 30 8.660 -2.837 17.570 218 HD2 HIS 30 2HD HIS 30 6.652 -1.313 20.873 219 HE1 HIS 30 1HE HIS 30 9.491 -4.168 19.535 220 H SER 31 H SER 31 9.932 0.136 18.124 221 HA SER 31 HA SER 31 10.869 1.068 15.617 222 HB2 SER 31 1HB SER 31 13.029 0.015 16.311 223 HB3 SER 31 2HB SER 31 12.345 1.085 17.534 224 HG SER 31 HG SER 31 12.681 -0.624 18.744 225 H SER 32 H SER 32 10.374 -2.194 16.931 226 HA SER 32 HA SER 32 11.353 -3.765 14.936 227 HB2 SER 32 1HB SER 32 10.207 -4.516 17.071 228 HB3 SER 32 2HB SER 32 8.673 -4.299 16.227 229 HG SER 32 HG SER 32 9.859 -6.467 16.218 230 H ASP 33 H ASP 33 8.150 -2.235 14.998 231 HA ASP 33 HA ASP 33 7.185 -3.259 12.586 232 HB2 ASP 33 1HB ASP 33 6.599 -0.670 14.024 233 HB3 ASP 33 2HB ASP 33 5.729 -1.181 12.580 234 H LEU 34 H LEU 34 8.663 -0.062 13.161 235 HA LEU 34 HA LEU 34 8.758 0.857 10.576 236 HB2 LEU 34 1HB LEU 34 9.388 2.312 12.326 237 HB3 LEU 34 2HB LEU 34 10.671 1.229 12.863 238 HG LEU 34 HG LEU 34 11.927 1.752 10.798 239 HD11 LEU 34 1HD1 LEU 34 10.723 2.539 9.091 240 HD12 LEU 34 2HD1 LEU 34 10.850 4.104 9.892 241 HD13 LEU 34 3HD1 LEU 34 9.424 3.098 10.145 242 HD21 LEU 34 1HD2 LEU 34 12.264 4.250 11.422 243 HD22 LEU 34 2HD2 LEU 34 12.669 2.998 12.597 244 HD23 LEU 34 3HD2 LEU 34 11.151 3.886 12.742 245 H SER 35 H SER 35 11.181 -1.156 12.222 246 HA SER 35 HA SER 35 13.104 -1.313 10.265 247 HB2 SER 35 1HB SER 35 13.242 -2.333 12.550 248 HB3 SER 35 2HB SER 35 12.205 -3.640 11.979 249 HG SER 35 HG SER 35 14.663 -2.943 10.753 250 H LYS 36 H LYS 36 10.241 -3.393 10.621 251 HA LYS 36 HA LYS 36 10.720 -4.976 8.344 252 HB2 LYS 36 1HB LYS 36 8.119 -4.299 9.729 253 HB3 LYS 36 2HB LYS 36 8.305 -5.556 8.512 254 HG2 LYS 36 1HG LYS 36 10.147 -6.448 10.132 255 HG3 LYS 36 2HG LYS 36 9.278 -5.484 11.327 256 HD2 LYS 36 1HD LYS 36 7.175 -6.686 10.443 257 HD3 LYS 36 2HD LYS 36 8.311 -7.834 9.733 258 HE2 LYS 36 1HE LYS 36 8.184 -7.090 12.654 259 HE3 LYS 36 2HE LYS 36 7.486 -8.546 11.947 260 HZ1 LYS 36 1HZ LYS 36 9.799 -9.068 11.152 261 HZ2 LYS 36 2HZ LYS 36 9.561 -9.166 12.824 262 HZ3 LYS 36 3HZ LYS 36 10.350 -7.825 12.160 263 H HIS 37 H HIS 37 8.860 -1.999 8.799 264 HA HIS 37 HA HIS 37 7.686 -1.822 6.284 265 HB2 HIS 37 1HB HIS 37 6.860 -0.220 7.708 266 HB3 HIS 37 2HB HIS 37 8.442 0.144 8.391 267 HD1 HIS 37 1HD HIS 37 6.689 0.626 5.041 268 HD2 HIS 37 2HD HIS 37 9.380 2.534 7.567 269 HE1 HIS 37 1HE HIS 37 7.185 2.836 3.949 270 H ARG 38 H ARG 38 10.756 -0.371 7.373 271 HA ARG 38 HA ARG 38 11.634 0.905 5.174 272 HB2 ARG 38 1HB ARG 38 13.009 -0.689 7.261 273 HB3 ARG 38 2HB ARG 38 13.950 -0.305 5.826 274 HG2 ARG 38 1HG ARG 38 14.048 1.905 6.309 275 HG3 ARG 38 2HG ARG 38 12.461 1.919 7.080 276 HD2 ARG 38 1HD ARG 38 13.750 2.162 8.937 277 HD3 ARG 38 2HD ARG 38 13.736 0.401 8.847 278 HE ARG 38 HE ARG 38 15.910 1.004 7.407 279 HH11 ARG 38 2HH1 ARG 38 14.824 2.105 10.526 280 HH12 ARG 38 1HH1 ARG 38 16.425 2.359 11.139 281 HH21 ARG 38 2HH2 ARG 38 18.022 1.334 8.202 282 HH22 ARG 38 1HH2 ARG 38 18.243 1.921 9.816 283 H ARG 39 H ARG 39 11.252 -2.537 5.505 284 HA ARG 39 HA ARG 39 12.841 -3.498 3.455 285 HB2 ARG 39 1HB ARG 39 10.109 -4.453 4.328 286 HB3 ARG 39 2HB ARG 39 11.200 -5.363 3.291 287 HG2 ARG 39 1HG ARG 39 12.843 -5.464 5.082 288 HG3 ARG 39 2HG ARG 39 11.779 -4.515 6.122 289 HD2 ARG 39 1HD ARG 39 11.426 -6.737 6.777 290 HD3 ARG 39 2HD ARG 39 10.052 -6.352 5.742 291 HE ARG 39 HE ARG 39 10.732 -8.020 4.355 292 HH11 ARG 39 2HH1 ARG 39 13.485 -6.927 6.185 293 HH12 ARG 39 1HH1 ARG 39 14.560 -8.114 5.523 294 HH21 ARG 39 2HH2 ARG 39 12.138 -9.587 3.477 295 HH22 ARG 39 1HH2 ARG 39 13.793 -9.626 3.982 296 H THR 40 H THR 40 9.513 -2.272 3.274 297 HA THR 40 HA THR 40 8.851 -2.757 0.683 298 HB THR 40 HB THR 40 7.329 -1.610 2.197 299 HG1 THR 40 1HG THR 40 7.969 -0.357 -0.259 300 HG21 THR 40 1HG2 THR 40 9.524 0.176 2.524 301 HG22 THR 40 2HG2 THR 40 7.990 0.147 3.395 302 HG23 THR 40 3HG2 THR 40 8.147 1.094 1.916 303 H HIS 41 H HIS 41 11.255 -0.526 1.844 304 HA HIS 41 HA HIS 41 11.528 0.932 -0.604 305 HB2 HIS 41 1HB HIS 41 13.512 0.681 1.665 306 HB3 HIS 41 2HB HIS 41 13.487 1.929 0.423 307 HD1 HIS 41 1HD HIS 41 10.606 2.835 0.493 308 HD2 HIS 41 2HD HIS 41 12.801 1.997 3.919 309 HE1 HIS 41 1HE HIS 41 9.473 4.106 2.344 310 H THR 42 H THR 42 11.670 -0.879 -2.080 311 HA THR 42 HA THR 42 14.338 -1.459 -2.826 312 HB THR 42 HB THR 42 14.252 -3.071 -1.000 313 HG1 THR 42 1HG THR 42 15.142 -3.579 -3.236 314 HG21 THR 42 1HG2 THR 42 11.722 -3.321 -1.123 315 HG22 THR 42 2HG2 THR 42 12.643 -4.796 -0.830 316 HG23 THR 42 3HG2 THR 42 12.001 -4.461 -2.438 317 H GLY 43 H GLY 43 14.349 -1.710 -4.969 318 HA2 GLY 43 1HA GLY 43 13.480 -3.041 -6.868 319 HA3 GLY 43 2HA GLY 43 11.872 -2.689 -6.252 320 H GLU 44 H GLU 44 11.584 -1.951 -8.518 321 HA GLU 44 HA GLU 44 12.754 0.684 -9.042 322 HB2 GLU 44 1HB GLU 44 11.235 -1.224 -10.825 323 HB3 GLU 44 2HB GLU 44 11.760 0.378 -11.324 324 HG2 GLU 44 1HG GLU 44 14.036 -0.212 -11.185 325 HG3 GLU 44 2HG GLU 44 13.673 -1.699 -10.310 326 H LYS 45 H LYS 45 10.928 0.683 -6.997 327 HA LYS 45 HA LYS 45 8.496 1.821 -8.206 328 HB2 LYS 45 1HB LYS 45 9.013 0.384 -5.635 329 HB3 LYS 45 2HB LYS 45 7.709 1.562 -5.700 330 HG2 LYS 45 1HG LYS 45 6.717 -0.516 -6.150 331 HG3 LYS 45 2HG LYS 45 6.844 0.296 -7.713 332 HD2 LYS 45 1HD LYS 45 9.022 -0.964 -8.031 333 HD3 LYS 45 2HD LYS 45 8.561 -1.924 -6.623 334 HE2 LYS 45 1HE LYS 45 6.727 -1.591 -8.976 335 HE3 LYS 45 2HE LYS 45 7.976 -2.835 -8.948 336 HZ1 LYS 45 1HZ LYS 45 5.607 -2.564 -7.208 337 HZ2 LYS 45 2HZ LYS 45 6.943 -3.479 -6.717 338 HZ3 LYS 45 3HZ LYS 45 6.102 -3.897 -8.125 339 HA PRO 46 HA PRO 46 10.840 5.442 -6.552 340 HB2 PRO 46 1HB PRO 46 10.171 7.089 -8.604 341 HB3 PRO 46 2HB PRO 46 11.554 5.990 -8.666 342 HG2 PRO 46 1HG PRO 46 8.814 5.652 -9.821 343 HG3 PRO 46 2HG PRO 46 10.388 5.279 -10.548 344 HD2 PRO 46 1HD PRO 46 8.804 3.378 -9.448 345 HD3 PRO 46 2HD PRO 46 10.577 3.278 -9.419 346 H TYR 47 H TYR 47 7.642 4.591 -7.064 347 HA TYR 47 HA TYR 47 6.702 7.064 -5.766 348 HB2 TYR 47 1HB TYR 47 5.074 5.346 -7.645 349 HB3 TYR 47 2HB TYR 47 4.613 6.897 -6.954 350 HD1 TYR 47 2HD TYR 47 5.691 8.976 -7.749 351 HD2 TYR 47 1HD TYR 47 6.482 5.216 -9.577 352 HE1 TYR 47 2HE TYR 47 6.630 10.131 -9.706 353 HE2 TYR 47 1HE TYR 47 7.424 6.361 -11.539 354 HH TYR 47 HH TYR 47 8.502 8.640 -11.997 355 H LYS 48 H LYS 48 5.598 6.833 -3.918 356 HA LYS 48 HA LYS 48 4.138 4.454 -3.265 357 HB2 LYS 48 1HB LYS 48 6.619 3.938 -2.798 358 HB3 LYS 48 2HB LYS 48 6.465 5.063 -1.455 359 HG2 LYS 48 1HG LYS 48 4.491 3.630 -0.706 360 HG3 LYS 48 2HG LYS 48 5.086 2.432 -1.858 361 HD2 LYS 48 1HD LYS 48 6.196 1.744 0.017 362 HD3 LYS 48 2HD LYS 48 7.373 2.899 -0.611 363 HE2 LYS 48 1HE LYS 48 7.224 3.505 1.617 364 HE3 LYS 48 2HE LYS 48 6.091 4.616 0.848 365 HZ1 LYS 48 1HZ LYS 48 4.563 3.861 2.241 366 HZ2 LYS 48 2HZ LYS 48 5.597 2.663 2.837 367 HZ3 LYS 48 3HZ LYS 48 4.639 2.353 1.477 368 H CYS 49 H CYS 49 2.642 4.818 -1.685 369 HA CYS 49 HA CYS 49 2.395 7.566 -0.764 370 HB2 CYS 49 1HB CYS 49 0.398 6.616 -1.687 371 HB3 CYS 49 2HB CYS 49 0.530 5.192 -0.660 372 H ASP 50 H ASP 50 1.847 8.048 1.471 373 HA ASP 50 HA ASP 50 3.377 6.354 3.311 374 HB2 ASP 50 1HB ASP 50 2.373 9.168 3.772 375 HB3 ASP 50 2HB ASP 50 3.550 8.286 4.742 376 H GLU 51 H GLU 51 0.321 8.182 3.203 377 HA GLU 51 HA GLU 51 -0.827 7.468 5.561 378 HB2 GLU 51 1HB GLU 51 -2.037 7.808 2.830 379 HB3 GLU 51 2HB GLU 51 -3.037 7.434 4.227 380 HG2 GLU 51 1HG GLU 51 -1.278 9.848 3.870 381 HG3 GLU 51 2HG GLU 51 -3.040 9.806 3.829 382 H CYS 52 H CYS 52 -1.408 5.644 2.548 383 HA CYS 52 HA CYS 52 -2.352 3.363 4.041 384 HB2 CYS 52 1HB CYS 52 -2.659 2.334 1.810 385 HB3 CYS 52 2HB CYS 52 -3.427 3.913 1.932 386 H GLY 53 H GLY 53 0.502 4.218 2.141 387 HA2 GLY 53 1HA GLY 53 2.664 3.387 2.453 388 HA3 GLY 53 2HA GLY 53 2.009 2.142 3.506 389 H LYS 54 H LYS 54 1.328 3.031 0.126 390 HA LYS 54 HA LYS 54 2.033 0.270 -0.630 391 HB2 LYS 54 1HB LYS 54 -0.462 1.016 -0.693 392 HB3 LYS 54 2HB LYS 54 0.010 1.891 -2.143 393 HG2 LYS 54 1HG LYS 54 0.751 -0.183 -3.174 394 HG3 LYS 54 2HG LYS 54 0.324 -1.073 -1.711 395 HD2 LYS 54 1HD LYS 54 -2.026 0.032 -2.109 396 HD3 LYS 54 2HD LYS 54 -1.444 0.166 -3.770 397 HE2 LYS 54 1HE LYS 54 -1.334 -2.420 -2.246 398 HE3 LYS 54 2HE LYS 54 -2.769 -1.928 -3.144 399 HZ1 LYS 54 1HZ LYS 54 -0.658 -3.288 -4.165 400 HZ2 LYS 54 2HZ LYS 54 -0.349 -1.704 -4.671 401 HZ3 LYS 54 3HZ LYS 54 -1.814 -2.449 -5.072 402 H ALA 55 H ALA 55 3.020 -0.036 -2.655 403 HA ALA 55 HA ALA 55 4.300 2.389 -3.724 404 HB1 ALA 55 1HB ALA 55 6.029 0.839 -4.606 405 HB2 ALA 55 2HB ALA 55 5.901 0.830 -2.847 406 HB3 ALA 55 3HB ALA 55 5.201 -0.486 -3.789 407 H PHE 56 H PHE 56 4.519 2.651 -5.983 408 HA PHE 56 HA PHE 56 2.881 0.900 -7.668 409 HB2 PHE 56 1HB PHE 56 2.685 3.917 -7.729 410 HB3 PHE 56 2HB PHE 56 1.776 2.785 -8.724 411 HD1 PHE 56 2HD PHE 56 2.223 4.089 -5.311 412 HD2 PHE 56 1HD PHE 56 -0.168 1.703 -7.901 413 HE1 PHE 56 2HE PHE 56 0.447 4.028 -3.610 414 HE2 PHE 56 1HE PHE 56 -1.949 1.640 -6.204 415 HZ PHE 56 HZ PHE 56 -1.642 2.802 -4.055 416 H ILE 57 H ILE 57 3.263 1.276 -10.004 417 HA ILE 57 HA ILE 57 6.104 1.669 -10.465 418 HB ILE 57 HB ILE 57 3.937 0.763 -12.365 419 HG12 ILE 57 1HG1 ILE 57 6.098 -0.993 -11.258 420 HG13 ILE 57 2HG1 ILE 57 4.667 -0.666 -10.286 421 HG21 ILE 57 1HG2 ILE 57 6.869 0.354 -12.785 422 HG22 ILE 57 2HG2 ILE 57 5.558 0.347 -13.964 423 HG23 ILE 57 3HG2 ILE 57 6.104 1.870 -13.262 424 HD11 ILE 57 1HD1 ILE 57 4.955 -2.660 -12.160 425 HD12 ILE 57 2HD1 ILE 57 3.438 -2.093 -11.460 426 HD13 ILE 57 3HD1 ILE 57 3.999 -1.437 -12.997 427 H GLN 58 H GLN 58 3.091 2.809 -12.004 428 HA GLN 58 HA GLN 58 4.543 5.034 -13.196 429 HB2 GLN 58 1HB GLN 58 1.710 4.040 -13.495 430 HB3 GLN 58 2HB GLN 58 2.292 5.515 -14.255 431 HG2 GLN 58 1HG GLN 58 3.498 2.795 -14.698 432 HG3 GLN 58 2HG GLN 58 2.281 3.528 -15.741 433 HE21 GLN 58 1HE2 GLN 58 2.934 4.821 -17.327 434 HE22 GLN 58 2HE2 GLN 58 4.543 5.414 -17.536 435 H ARG 59 H ARG 59 4.283 7.153 -12.664 436 HA ARG 59 HA ARG 59 3.620 7.878 -10.080 437 HB2 ARG 59 1HB ARG 59 3.548 10.217 -10.943 438 HB3 ARG 59 2HB ARG 59 4.976 9.321 -11.443 439 HG2 ARG 59 1HG ARG 59 3.697 8.832 -13.598 440 HG3 ARG 59 2HG ARG 59 2.590 10.104 -13.079 441 HD2 ARG 59 1HD ARG 59 4.868 11.421 -12.741 442 HD3 ARG 59 2HD ARG 59 5.419 10.282 -13.969 443 HE ARG 59 HE ARG 59 3.570 12.469 -14.324 444 HH11 ARG 59 2HH1 ARG 59 4.763 9.452 -15.587 445 HH12 ARG 59 1HH1 ARG 59 4.254 9.780 -17.210 446 HH21 ARG 59 2HH2 ARG 59 2.895 12.913 -16.458 447 HH22 ARG 59 1HH2 ARG 59 3.192 11.749 -17.704 448 H SER 60 H SER 60 1.633 8.130 -13.014 449 HA SER 60 HA SER 60 -0.572 9.436 -12.141 450 HB2 SER 60 1HB SER 60 -0.316 7.047 -13.951 451 HB3 SER 60 2HB SER 60 -1.894 7.757 -13.612 452 HG SER 60 HG SER 60 0.104 8.656 -15.228 453 H HIS 61 H HIS 61 0.219 6.051 -11.491 454 HA HIS 61 HA HIS 61 -2.123 5.234 -10.263 455 HB2 HIS 61 1HB HIS 61 0.713 4.459 -9.546 456 HB3 HIS 61 2HB HIS 61 -0.734 3.575 -9.069 457 HD1 HIS 61 1HD HIS 61 0.404 1.542 -10.371 458 HD2 HIS 61 2HD HIS 61 -0.824 4.740 -12.721 459 HE1 HIS 61 1HE HIS 61 0.355 0.665 -12.728 460 H LEU 62 H LEU 62 0.626 6.979 -8.882 461 HA LEU 62 HA LEU 62 -0.567 7.045 -6.251 462 HB2 LEU 62 1HB LEU 62 1.831 6.893 -6.429 463 HB3 LEU 62 2HB LEU 62 1.888 8.367 -7.393 464 HG LEU 62 HG LEU 62 0.865 9.475 -5.269 465 HD11 LEU 62 1HD1 LEU 62 0.509 7.247 -4.163 466 HD12 LEU 62 2HD1 LEU 62 1.377 8.441 -3.198 467 HD13 LEU 62 3HD1 LEU 62 2.261 7.136 -3.989 468 HD21 LEU 62 1HD2 LEU 62 2.998 10.133 -6.036 469 HD22 LEU 62 2HD2 LEU 62 3.720 8.585 -5.596 470 HD23 LEU 62 3HD2 LEU 62 3.207 9.709 -4.336 471 H ILE 63 H ILE 63 0.123 9.373 -8.841 472 HA ILE 63 HA ILE 63 -0.657 11.730 -7.741 473 HB ILE 63 HB ILE 63 -1.395 10.772 -10.509 474 HG12 ILE 63 1HG1 ILE 63 0.988 12.397 -9.596 475 HG13 ILE 63 2HG1 ILE 63 1.036 10.669 -9.930 476 HG21 ILE 63 1HG2 ILE 63 -2.535 12.683 -10.638 477 HG22 ILE 63 2HG2 ILE 63 -1.880 13.267 -9.109 478 HG23 ILE 63 3HG2 ILE 63 -0.971 13.499 -10.602 479 HD11 ILE 63 1HD1 ILE 63 0.027 12.491 -12.046 480 HD12 ILE 63 2HD1 ILE 63 1.761 12.430 -11.729 481 HD13 ILE 63 3HD1 ILE 63 0.896 10.963 -12.185 482 H GLY 64 H GLY 64 -2.892 9.488 -9.399 483 HA2 GLY 64 1HA GLY 64 -5.223 10.920 -8.620 484 HA3 GLY 64 2HA GLY 64 -5.181 9.293 -9.284 485 H HIS 65 H HIS 65 -3.701 7.958 -7.381 486 HA HIS 65 HA HIS 65 -5.582 7.220 -5.504 487 HB2 HIS 65 1HB HIS 65 -3.858 5.688 -5.740 488 HB3 HIS 65 2HB HIS 65 -2.607 6.924 -5.653 489 HD1 HIS 65 1HD HIS 65 -4.299 4.409 -3.653 490 HD2 HIS 65 2HD HIS 65 -2.231 7.938 -2.925 491 HE1 HIS 65 1HE HIS 65 -3.695 4.343 -1.213 492 H HIS 66 H HIS 66 -3.052 9.666 -5.246 493 HA HIS 66 HA HIS 66 -3.039 10.263 -2.589 494 HB2 HIS 66 1HB HIS 66 -2.725 11.901 -5.052 495 HB3 HIS 66 2HB HIS 66 -2.926 12.765 -3.530 496 HD1 HIS 66 1HD HIS 66 -0.319 11.894 -5.592 497 HD2 HIS 66 2HD HIS 66 -0.991 11.243 -1.544 498 HE1 HIS 66 1HE HIS 66 1.953 11.496 -4.589 499 H ARG 67 H ARG 67 -5.655 10.677 -4.798 500 HA ARG 67 HA ARG 67 -7.123 12.393 -2.943 501 HB2 ARG 67 1HB ARG 67 -7.408 11.649 -5.809 502 HB3 ARG 67 2HB ARG 67 -8.877 12.042 -4.926 503 HG2 ARG 67 1HG ARG 67 -7.796 14.195 -4.255 504 HG3 ARG 67 2HG ARG 67 -6.477 13.800 -5.358 505 HD2 ARG 67 1HD ARG 67 -7.914 13.864 -7.241 506 HD3 ARG 67 2HD ARG 67 -9.355 13.900 -6.225 507 HE ARG 67 HE ARG 67 -9.109 16.164 -6.026 508 HH11 ARG 67 2HH1 ARG 67 -6.124 14.797 -7.182 509 HH12 ARG 67 1HH1 ARG 67 -5.383 16.335 -7.481 510 HH21 ARG 67 2HH2 ARG 67 -8.145 18.195 -6.414 511 HH22 ARG 67 1HH2 ARG 67 -6.534 18.267 -7.043 512 H VAL 68 H VAL 68 -6.486 9.561 -2.370 513 HA VAL 68 HA VAL 68 -9.124 8.299 -2.439 514 HB VAL 68 HB VAL 68 -7.138 6.960 -3.090 515 HG11 VAL 68 1HG1 VAL 68 -5.415 6.419 -1.632 516 HG12 VAL 68 2HG1 VAL 68 -5.704 8.124 -1.279 517 HG13 VAL 68 3HG1 VAL 68 -6.343 6.879 -0.205 518 HG21 VAL 68 1HG2 VAL 68 -9.195 5.919 -2.190 519 HG22 VAL 68 2HG2 VAL 68 -7.742 4.978 -1.851 520 HG23 VAL 68 3HG2 VAL 68 -8.475 5.955 -0.580 521 H HIS 69 H HIS 69 -6.759 9.602 -0.196 522 HA HIS 69 HA HIS 69 -8.406 8.851 2.095 523 HB2 HIS 69 1HB HIS 69 -5.799 10.371 2.140 524 HB3 HIS 69 2HB HIS 69 -6.565 9.506 3.469 525 HD1 HIS 69 1HD HIS 69 -6.856 6.774 2.828 526 HD2 HIS 69 2HD HIS 69 -3.795 8.944 1.044 527 HE1 HIS 69 1HE HIS 69 -5.187 5.063 2.044 528 H THR 70 H THR 70 -9.695 10.224 3.161 529 HA THR 70 HA THR 70 -9.524 13.089 2.488 530 HB THR 70 HB THR 70 -11.499 11.987 1.436 531 HG1 THR 70 1HG THR 70 -12.515 13.694 3.425 532 HG21 THR 70 1HG2 THR 70 -11.739 10.484 3.600 533 HG22 THR 70 2HG2 THR 70 -13.142 10.914 2.623 534 HG23 THR 70 3HG2 THR 70 -12.798 11.798 4.109 535 H GLY 71 H GLY 71 -9.735 14.543 4.141 536 HA2 GLY 71 1HA GLY 71 -9.957 15.339 6.295 537 HA3 GLY 71 2HA GLY 71 -10.726 13.819 6.727 538 H SER 72 H SER 72 -7.544 15.225 6.005 539 HA SER 72 HA SER 72 -6.112 13.097 7.263 540 HB2 SER 72 1HB SER 72 -5.161 14.534 5.454 541 HB3 SER 72 2HB SER 72 -5.124 15.879 6.594 542 HG SER 72 HG SER 72 -3.125 14.931 6.644 543 H GLY 73 H GLY 73 -6.088 12.755 9.380 544 HA2 GLY 73 1HA GLY 73 -6.118 13.125 11.647 545 HA3 GLY 73 2HA GLY 73 -5.143 14.539 11.277 546 HA PRO 74 HA PRO 74 -8.902 16.204 13.266 547 HB2 PRO 74 1HB PRO 74 -7.624 18.327 14.374 548 HB3 PRO 74 2HB PRO 74 -7.653 16.726 15.122 549 HG2 PRO 74 1HG PRO 74 -5.507 18.011 13.477 550 HG3 PRO 74 2HG PRO 74 -5.357 17.060 14.967 551 HD2 PRO 74 1HD PRO 74 -4.878 16.014 12.516 552 HD3 PRO 74 2HD PRO 74 -5.541 15.051 13.852 553 H SER 75 H SER 75 -9.970 18.295 13.012 554 HA SER 75 HA SER 75 -10.271 19.176 10.475 555 HB2 SER 75 1HB SER 75 -11.634 19.851 12.499 556 HB3 SER 75 2HB SER 75 -10.401 21.068 12.829 557 HG SER 75 HG SER 75 -12.157 20.882 10.625 558 H SER 76 H SER 76 -8.976 20.058 9.020 559 HA SER 76 HA SER 76 -6.378 20.736 9.243 560 HB2 SER 76 1HB SER 76 -8.516 21.871 7.455 561 HB3 SER 76 2HB SER 76 -6.845 22.422 7.329 562 HG SER 76 HG SER 76 -6.322 20.599 6.413 563 H GLY 77 H GLY 77 -8.993 23.167 9.398 564 HA2 GLY 77 1HA GLY 77 -7.695 25.450 9.924 565 HA3 GLY 77 2HA GLY 77 -9.157 25.016 10.796 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -2.872 3.276 32.993 2 HA2 GLY 1 1HA GLY 1 -3.517 4.511 31.153 3 HA3 GLY 1 2HA GLY 1 -1.825 4.330 30.713 4 H SER 2 H SER 2 -3.164 4.597 28.583 5 HA SER 2 HA SER 2 -3.041 2.094 27.243 6 HB2 SER 2 1HB SER 2 -5.346 2.164 28.495 7 HB3 SER 2 2HB SER 2 -5.810 3.243 27.180 8 HG SER 2 HG SER 2 -4.574 0.774 26.633 9 H SER 3 H SER 3 -3.911 2.344 24.922 10 HA SER 3 HA SER 3 -3.735 5.113 23.985 11 HB2 SER 3 1HB SER 3 -1.993 2.839 23.008 12 HB3 SER 3 2HB SER 3 -2.157 4.385 22.175 13 HG SER 3 HG SER 3 -1.329 5.399 24.040 14 H GLY 4 H GLY 4 -4.819 5.532 22.072 15 HA2 GLY 4 1HA GLY 4 -6.961 3.768 21.437 16 HA3 GLY 4 2HA GLY 4 -6.559 5.256 20.593 17 H SER 5 H SER 5 -7.183 2.273 19.894 18 HA SER 5 HA SER 5 -4.858 1.517 18.362 19 HB2 SER 5 1HB SER 5 -7.631 0.309 18.290 20 HB3 SER 5 2HB SER 5 -6.138 -0.431 17.713 21 HG SER 5 HG SER 5 -5.445 -0.103 20.022 22 H SER 6 H SER 6 -5.430 0.731 15.999 23 HA SER 6 HA SER 6 -5.986 3.105 14.517 24 HB2 SER 6 1HB SER 6 -5.601 1.688 12.531 25 HB3 SER 6 2HB SER 6 -4.325 1.487 13.732 26 HG SER 6 HG SER 6 -5.540 -0.398 14.451 27 H GLY 7 H GLY 7 -8.056 3.807 14.607 28 HA2 GLY 7 1HA GLY 7 -10.141 1.897 13.744 29 HA3 GLY 7 2HA GLY 7 -10.433 3.150 14.941 30 H ARG 8 H ARG 8 -11.202 5.053 14.266 31 HA ARG 8 HA ARG 8 -12.125 5.438 11.672 32 HB2 ARG 8 1HB ARG 8 -11.556 7.420 13.876 33 HB3 ARG 8 2HB ARG 8 -12.333 7.867 12.363 34 HG2 ARG 8 1HG ARG 8 -13.402 5.739 14.198 35 HG3 ARG 8 2HG ARG 8 -13.874 7.437 14.294 36 HD2 ARG 8 1HD ARG 8 -14.046 6.023 11.674 37 HD3 ARG 8 2HD ARG 8 -15.284 5.722 12.893 38 HE ARG 8 HE ARG 8 -14.890 8.140 11.369 39 HH11 ARG 8 2HH1 ARG 8 -16.306 6.703 14.206 40 HH12 ARG 8 1HH1 ARG 8 -17.505 7.940 14.394 41 HH21 ARG 8 2HH2 ARG 8 -16.463 9.775 11.606 42 HH22 ARG 8 1HH2 ARG 8 -17.594 9.687 12.914 43 H SER 9 H SER 9 -11.272 6.232 9.843 44 HA SER 9 HA SER 9 -8.431 6.886 9.848 45 HB2 SER 9 1HB SER 9 -9.263 5.241 8.211 46 HB3 SER 9 2HB SER 9 -10.334 6.465 7.529 47 HG SER 9 HG SER 9 -7.571 6.185 7.309 48 H GLU 10 H GLU 10 -10.003 8.838 11.040 49 HA GLU 10 HA GLU 10 -9.972 10.997 9.034 50 HB2 GLU 10 1HB GLU 10 -11.765 10.471 11.373 51 HB3 GLU 10 2HB GLU 10 -11.493 12.127 10.851 52 HG2 GLU 10 1HG GLU 10 -12.611 9.888 9.181 53 HG3 GLU 10 2HG GLU 10 -13.507 11.248 9.855 54 H TRP 11 H TRP 11 -7.944 11.801 9.267 55 HA TRP 11 HA TRP 11 -7.332 13.042 11.850 56 HB2 TRP 11 1HB TRP 11 -5.741 10.969 10.455 57 HB3 TRP 11 2HB TRP 11 -4.837 12.335 11.102 58 HD1 TRP 11 HD TRP 11 -5.863 9.024 12.095 59 HE1 TRP 11 1HE TRP 11 -5.894 8.755 14.655 60 HE3 TRP 11 3HE TRP 11 -5.683 13.955 13.431 61 HZ2 TRP 11 2HZ TRP 11 -5.848 10.414 16.938 62 HZ3 TRP 11 3HZ TRP 11 -5.680 14.529 15.824 63 HH2 TRP 11 HH TRP 11 -5.762 12.794 17.539 64 H GLN 12 H GLN 12 -6.556 15.065 11.683 65 HA GLN 12 HA GLN 12 -5.514 15.965 9.090 66 HB2 GLN 12 1HB GLN 12 -7.773 17.158 10.668 67 HB3 GLN 12 2HB GLN 12 -6.789 18.166 9.615 68 HG2 GLN 12 1HG GLN 12 -8.468 17.617 8.185 69 HG3 GLN 12 2HG GLN 12 -7.343 16.300 7.853 70 HE21 GLN 12 1HE2 GLN 12 -10.015 17.108 10.043 71 HE22 GLN 12 2HE2 GLN 12 -10.745 15.542 10.006 72 H GLN 13 H GLN 13 -3.978 15.269 11.304 73 HA GLN 13 HA GLN 13 -2.688 17.818 11.843 74 HB2 GLN 13 1HB GLN 13 -4.395 17.078 13.722 75 HB3 GLN 13 2HB GLN 13 -3.068 16.028 14.201 76 HG2 GLN 13 1HG GLN 13 -1.607 17.939 14.461 77 HG3 GLN 13 2HG GLN 13 -2.884 19.016 13.895 78 HE21 GLN 13 1HE2 GLN 13 -2.970 20.217 15.757 79 HE22 GLN 13 2HE2 GLN 13 -3.574 19.598 17.252 80 H ARG 14 H ARG 14 -0.539 17.500 12.908 81 HA ARG 14 HA ARG 14 0.986 15.620 11.493 82 HB2 ARG 14 1HB ARG 14 2.839 16.293 12.993 83 HB3 ARG 14 2HB ARG 14 1.979 17.667 12.314 84 HG2 ARG 14 1HG ARG 14 0.617 17.491 14.563 85 HG3 ARG 14 2HG ARG 14 2.090 16.692 15.115 86 HD2 ARG 14 1HD ARG 14 3.246 18.765 13.983 87 HD3 ARG 14 2HD ARG 14 1.666 19.506 14.232 88 HE ARG 14 HE ARG 14 2.223 18.477 16.658 89 HH11 ARG 14 2HH1 ARG 14 4.039 20.489 14.473 90 HH12 ARG 14 1HH1 ARG 14 4.908 21.299 15.735 91 HH21 ARG 14 2HH2 ARG 14 3.360 19.536 18.327 92 HH22 ARG 14 1HH2 ARG 14 4.522 20.755 17.926 93 H GLU 15 H GLU 15 1.452 13.548 11.850 94 HA GLU 15 HA GLU 15 0.162 11.960 13.694 95 HB2 GLU 15 1HB GLU 15 2.880 11.435 12.480 96 HB3 GLU 15 2HB GLU 15 1.806 10.227 13.171 97 HG2 GLU 15 1HG GLU 15 1.159 11.929 10.775 98 HG3 GLU 15 2HG GLU 15 1.775 10.279 10.706 99 H ARG 16 H ARG 16 0.807 10.921 15.623 100 HA ARG 16 HA ARG 16 1.856 12.499 17.605 101 HB2 ARG 16 1HB ARG 16 1.788 9.492 17.369 102 HB3 ARG 16 2HB ARG 16 2.290 10.322 18.836 103 HG2 ARG 16 1HG ARG 16 0.162 11.152 19.247 104 HG3 ARG 16 2HG ARG 16 -0.357 10.915 17.577 105 HD2 ARG 16 1HD ARG 16 0.295 8.687 19.501 106 HD3 ARG 16 2HD ARG 16 -1.333 9.282 19.178 107 HE ARG 16 HE ARG 16 -0.157 8.604 16.738 108 HH11 ARG 16 2HH1 ARG 16 -1.243 7.061 19.663 109 HH12 ARG 16 1HH1 ARG 16 -1.622 5.560 18.886 110 HH21 ARG 16 2HH2 ARG 16 -0.653 6.633 15.702 111 HH22 ARG 16 1HH2 ARG 16 -1.285 5.317 16.633 112 H ARG 17 H ARG 17 3.576 10.117 15.619 113 HA ARG 17 HA ARG 17 6.114 10.895 16.832 114 HB2 ARG 17 1HB ARG 17 5.365 8.725 14.872 115 HB3 ARG 17 2HB ARG 17 7.026 9.067 15.338 116 HG2 ARG 17 1HG ARG 17 5.049 8.591 17.499 117 HG3 ARG 17 2HG ARG 17 5.588 7.210 16.541 118 HD2 ARG 17 1HD ARG 17 7.930 7.831 17.044 119 HD3 ARG 17 2HD ARG 17 7.334 9.128 18.079 120 HE ARG 17 HE ARG 17 7.272 6.273 18.638 121 HH11 ARG 17 2HH1 ARG 17 6.299 9.490 19.548 122 HH12 ARG 17 1HH1 ARG 17 5.934 9.057 21.185 123 HH21 ARG 17 2HH2 ARG 17 6.795 5.691 20.791 124 HH22 ARG 17 1HH2 ARG 17 6.217 6.896 21.892 125 H ARG 18 H ARG 18 7.927 11.540 15.537 126 HA ARG 18 HA ARG 18 7.320 13.564 13.680 127 HB2 ARG 18 1HB ARG 18 9.917 12.163 14.323 128 HB3 ARG 18 2HB ARG 18 9.804 13.545 13.242 129 HG2 ARG 18 1HG ARG 18 8.670 14.729 15.228 130 HG3 ARG 18 2HG ARG 18 9.359 13.424 16.196 131 HD2 ARG 18 1HD ARG 18 11.060 15.000 14.298 132 HD3 ARG 18 2HD ARG 18 10.700 15.614 15.911 133 HE ARG 18 HE ARG 18 11.752 12.920 15.816 134 HH11 ARG 18 2HH1 ARG 18 12.451 16.315 16.134 135 HH12 ARG 18 1HH1 ARG 18 13.976 16.062 16.915 136 HH21 ARG 18 2HH2 ARG 18 13.758 12.572 16.845 137 HH22 ARG 18 1HH2 ARG 18 14.719 13.932 17.318 138 H TYR 19 H TYR 19 8.385 10.225 13.272 139 HA TYR 19 HA TYR 19 7.470 10.296 10.511 140 HB2 TYR 19 1HB TYR 19 10.293 9.521 11.270 141 HB3 TYR 19 2HB TYR 19 9.569 9.235 9.691 142 HD1 TYR 19 2HD TYR 19 10.736 11.843 12.026 143 HD2 TYR 19 1HD TYR 19 9.378 10.988 8.085 144 HE1 TYR 19 2HE TYR 19 11.448 14.083 11.301 145 HE2 TYR 19 1HE TYR 19 10.087 13.225 7.349 146 HH TYR 19 HH TYR 19 11.855 15.389 9.492 147 H LYS 20 H LYS 20 6.694 8.363 9.797 148 HA LYS 20 HA LYS 20 7.188 5.963 11.395 149 HB2 LYS 20 1HB LYS 20 5.077 7.179 12.170 150 HB3 LYS 20 2HB LYS 20 4.384 6.746 10.614 151 HG2 LYS 20 1HG LYS 20 4.421 4.460 11.102 152 HG3 LYS 20 2HG LYS 20 5.548 4.677 12.444 153 HD2 LYS 20 1HD LYS 20 3.914 5.379 13.881 154 HD3 LYS 20 2HD LYS 20 2.922 6.063 12.591 155 HE2 LYS 20 1HE LYS 20 2.304 3.804 11.876 156 HE3 LYS 20 2HE LYS 20 3.295 3.124 13.166 157 HZ1 LYS 20 1HZ LYS 20 0.893 4.835 13.516 158 HZ2 LYS 20 2HZ LYS 20 1.870 4.270 14.776 159 HZ3 LYS 20 3HZ LYS 20 0.995 3.176 13.828 160 H CYS 21 H CYS 21 7.088 4.060 10.255 161 HA CYS 21 HA CYS 21 6.994 4.344 7.353 162 HB2 CYS 21 1HB CYS 21 8.896 3.174 8.555 163 HB3 CYS 21 2HB CYS 21 7.756 1.887 8.934 164 H ASP 22 H ASP 22 4.650 4.620 7.354 165 HA ASP 22 HA ASP 22 2.658 3.101 8.263 166 HB2 ASP 22 1HB ASP 22 2.714 3.628 5.305 167 HB3 ASP 22 2HB ASP 22 1.353 3.724 6.420 168 H GLU 23 H GLU 23 4.938 2.097 5.780 169 HA GLU 23 HA GLU 23 3.773 -0.163 4.770 170 HB2 GLU 23 1HB GLU 23 6.672 0.234 5.529 171 HB3 GLU 23 2HB GLU 23 6.080 -1.068 4.507 172 HG2 GLU 23 1HG GLU 23 6.017 1.880 3.922 173 HG3 GLU 23 2HG GLU 23 6.979 0.644 3.113 174 H CYS 24 H CYS 24 5.888 -0.079 7.643 175 HA CYS 24 HA CYS 24 4.763 -2.666 8.462 176 HB2 CYS 24 1HB CYS 24 6.715 -2.793 9.991 177 HB3 CYS 24 2HB CYS 24 7.182 -2.655 8.299 178 H GLY 25 H GLY 25 5.557 0.559 9.726 179 HA2 GLY 25 1HA GLY 25 3.826 1.669 11.065 180 HA3 GLY 25 2HA GLY 25 3.519 0.112 11.819 181 H LYS 26 H LYS 26 6.711 1.417 11.138 182 HA LYS 26 HA LYS 26 7.194 1.527 14.041 183 HB2 LYS 26 1HB LYS 26 8.501 -0.065 12.400 184 HB3 LYS 26 2HB LYS 26 9.415 1.394 12.041 185 HG2 LYS 26 1HG LYS 26 10.071 1.611 14.345 186 HG3 LYS 26 2HG LYS 26 9.041 0.252 14.802 187 HD2 LYS 26 1HD LYS 26 10.402 -1.211 13.333 188 HD3 LYS 26 2HD LYS 26 11.471 0.156 13.015 189 HE2 LYS 26 1HE LYS 26 12.607 -0.842 14.729 190 HE3 LYS 26 2HE LYS 26 11.570 0.247 15.649 191 HZ1 LYS 26 1HZ LYS 26 11.774 -2.374 16.114 192 HZ2 LYS 26 2HZ LYS 26 10.434 -2.356 15.082 193 HZ3 LYS 26 3HZ LYS 26 10.412 -1.452 16.512 194 H SER 27 H SER 27 8.520 3.218 14.872 195 HA SER 27 HA SER 27 8.644 5.599 13.139 196 HB2 SER 27 1HB SER 27 8.263 6.935 15.247 197 HB3 SER 27 2HB SER 27 6.880 5.975 14.723 198 HG SER 27 HG SER 27 7.233 4.557 16.346 199 H PHE 28 H PHE 28 10.474 6.828 13.210 200 HA PHE 28 HA PHE 28 12.634 5.874 14.973 201 HB2 PHE 28 1HB PHE 28 12.951 6.980 12.176 202 HB3 PHE 28 2HB PHE 28 14.232 6.349 13.206 203 HD1 PHE 28 1HD PHE 28 11.091 5.370 11.487 204 HD2 PHE 28 2HD PHE 28 14.812 4.102 13.119 205 HE1 PHE 28 1HE PHE 28 10.737 3.125 10.542 206 HE2 PHE 28 2HE PHE 28 14.464 1.856 12.176 207 HZ PHE 28 HZ PHE 28 12.425 1.366 10.885 208 H SER 29 H SER 29 14.060 7.414 15.813 209 HA SER 29 HA SER 29 12.895 9.985 16.283 210 HB2 SER 29 1HB SER 29 15.632 8.936 17.045 211 HB3 SER 29 2HB SER 29 14.867 10.389 17.689 212 HG SER 29 HG SER 29 14.680 8.025 18.689 213 H HIS 30 H HIS 30 15.630 8.771 14.411 214 HA HIS 30 HA HIS 30 16.056 11.476 13.337 215 HB2 HIS 30 1HB HIS 30 17.907 9.780 14.368 216 HB3 HIS 30 2HB HIS 30 17.990 9.346 12.663 217 HD1 HIS 30 1HD HIS 30 19.972 10.497 11.741 218 HD2 HIS 30 2HD HIS 30 17.802 12.959 14.289 219 HE1 HIS 30 1HE HIS 30 21.112 12.737 11.644 220 H SER 31 H SER 31 15.042 11.845 11.486 221 HA SER 31 HA SER 31 13.701 10.158 9.861 222 HB2 SER 31 1HB SER 31 14.351 11.797 7.954 223 HB3 SER 31 2HB SER 31 13.472 12.431 9.345 224 HG SER 31 HG SER 31 16.251 12.438 9.492 225 H SER 32 H SER 32 17.139 10.454 10.095 226 HA SER 32 HA SER 32 17.895 9.329 7.635 227 HB2 SER 32 1HB SER 32 19.232 9.519 10.322 228 HB3 SER 32 2HB SER 32 19.993 8.637 8.998 229 HG SER 32 HG SER 32 20.353 11.072 9.351 230 H ASP 33 H ASP 33 17.705 7.758 10.833 231 HA ASP 33 HA ASP 33 18.238 5.176 10.166 232 HB2 ASP 33 1HB ASP 33 16.110 6.149 12.085 233 HB3 ASP 33 2HB ASP 33 16.734 4.503 12.031 234 H LEU 34 H LEU 34 14.960 6.588 10.166 235 HA LEU 34 HA LEU 34 13.512 4.486 9.211 236 HB2 LEU 34 1HB LEU 34 12.284 6.373 9.758 237 HB3 LEU 34 2HB LEU 34 13.290 7.434 8.774 238 HG LEU 34 HG LEU 34 12.274 6.430 6.744 239 HD11 LEU 34 1HD1 LEU 34 10.110 5.271 8.422 240 HD12 LEU 34 2HD1 LEU 34 11.586 4.337 8.181 241 HD13 LEU 34 3HD1 LEU 34 10.628 4.846 6.790 242 HD21 LEU 34 1HD2 LEU 34 11.193 8.377 7.075 243 HD22 LEU 34 2HD2 LEU 34 10.848 8.022 8.768 244 HD23 LEU 34 3HD2 LEU 34 9.842 7.324 7.498 245 H SER 35 H SER 35 14.885 7.018 7.102 246 HA SER 35 HA SER 35 14.339 6.057 4.646 247 HB2 SER 35 1HB SER 35 15.579 8.087 4.826 248 HB3 SER 35 2HB SER 35 16.922 7.275 5.631 249 HG SER 35 HG SER 35 16.114 7.060 2.926 250 H LYS 36 H LYS 36 17.078 4.986 6.644 251 HA LYS 36 HA LYS 36 18.039 3.065 4.809 252 HB2 LYS 36 1HB LYS 36 18.358 3.171 7.815 253 HB3 LYS 36 2HB LYS 36 19.310 2.173 6.724 254 HG2 LYS 36 1HG LYS 36 19.998 4.342 5.590 255 HG3 LYS 36 2HG LYS 36 19.310 5.161 6.994 256 HD2 LYS 36 1HD LYS 36 20.801 3.781 8.441 257 HD3 LYS 36 2HD LYS 36 21.559 3.150 6.977 258 HE2 LYS 36 1HE LYS 36 22.520 5.190 6.443 259 HE3 LYS 36 2HE LYS 36 21.362 6.102 7.410 260 HZ1 LYS 36 1HZ LYS 36 23.899 5.301 8.154 261 HZ2 LYS 36 2HZ LYS 36 22.842 4.333 9.052 262 HZ3 LYS 36 3HZ LYS 36 22.724 6.019 9.138 263 H HIS 37 H HIS 37 15.962 2.759 7.679 264 HA HIS 37 HA HIS 37 15.599 0.017 7.675 265 HB2 HIS 37 1HB HIS 37 14.682 1.040 9.534 266 HB3 HIS 37 2HB HIS 37 13.934 2.324 8.590 267 HD1 HIS 37 1HD HIS 37 13.380 -1.190 9.750 268 HD2 HIS 37 2HD HIS 37 11.372 1.765 7.630 269 HE1 HIS 37 1HE HIS 37 11.005 -1.994 9.562 270 H ARG 38 H ARG 38 13.519 2.450 6.100 271 HA ARG 38 HA ARG 38 11.606 0.981 4.934 272 HB2 ARG 38 1HB ARG 38 13.161 2.943 3.260 273 HB3 ARG 38 2HB ARG 38 11.439 2.592 3.209 274 HG2 ARG 38 1HG ARG 38 11.615 3.463 5.727 275 HG3 ARG 38 2HG ARG 38 12.965 4.353 5.021 276 HD2 ARG 38 1HD ARG 38 11.130 4.814 3.138 277 HD3 ARG 38 2HD ARG 38 10.055 4.585 4.516 278 HE ARG 38 HE ARG 38 10.854 6.547 5.445 279 HH11 ARG 38 2HH1 ARG 38 12.711 5.686 2.629 280 HH12 ARG 38 1HH1 ARG 38 13.507 7.221 2.523 281 HH21 ARG 38 2HH2 ARG 38 11.896 8.572 5.317 282 HH22 ARG 38 1HH2 ARG 38 13.043 8.862 4.054 283 H ARG 39 H ARG 39 14.988 0.971 4.019 284 HA ARG 39 HA ARG 39 14.946 -0.243 1.560 285 HB2 ARG 39 1HB ARG 39 16.847 -0.716 3.861 286 HB3 ARG 39 2HB ARG 39 17.130 -1.285 2.221 287 HG2 ARG 39 1HG ARG 39 17.007 1.084 1.455 288 HG3 ARG 39 2HG ARG 39 16.935 1.568 3.150 289 HD2 ARG 39 1HD ARG 39 19.217 1.669 2.144 290 HD3 ARG 39 2HD ARG 39 19.096 0.650 3.578 291 HE ARG 39 HE ARG 39 18.801 -0.740 1.062 292 HH11 ARG 39 2HH1 ARG 39 20.983 0.321 3.558 293 HH12 ARG 39 1HH1 ARG 39 22.192 -0.863 3.186 294 HH21 ARG 39 2HH2 ARG 39 20.384 -2.304 0.563 295 HH22 ARG 39 1HH2 ARG 39 21.850 -2.356 1.482 296 H THR 40 H THR 40 14.878 -1.866 4.726 297 HA THR 40 HA THR 40 14.908 -4.489 4.029 298 HB THR 40 HB THR 40 14.716 -3.735 6.356 299 HG1 THR 40 1HG THR 40 13.681 -5.874 5.336 300 HG21 THR 40 1HG2 THR 40 11.951 -3.559 6.757 301 HG22 THR 40 2HG2 THR 40 12.292 -2.528 5.367 302 HG23 THR 40 3HG2 THR 40 13.134 -2.259 6.893 303 H HIS 41 H HIS 41 12.434 -2.196 3.295 304 HA HIS 41 HA HIS 41 10.455 -4.209 2.637 305 HB2 HIS 41 1HB HIS 41 10.455 -1.207 2.266 306 HB3 HIS 41 2HB HIS 41 9.092 -2.259 1.900 307 HD1 HIS 41 1HD HIS 41 9.011 -4.017 4.377 308 HD2 HIS 41 2HD HIS 41 9.643 0.088 4.505 309 HE1 HIS 41 1HE HIS 41 8.329 -3.303 6.690 310 H THR 42 H THR 42 11.473 -5.401 1.006 311 HA THR 42 HA THR 42 11.829 -3.965 -1.545 312 HB THR 42 HB THR 42 13.313 -5.914 -2.191 313 HG1 THR 42 1HG THR 42 13.039 -6.418 0.598 314 HG21 THR 42 1HG2 THR 42 14.262 -3.757 -1.599 315 HG22 THR 42 2HG2 THR 42 15.267 -5.053 -0.950 316 HG23 THR 42 3HG2 THR 42 14.178 -4.164 0.114 317 H GLY 43 H GLY 43 11.646 -5.612 -3.457 318 HA2 GLY 43 1HA GLY 43 10.514 -7.569 -4.303 319 HA3 GLY 43 2HA GLY 43 9.380 -7.432 -2.967 320 H GLU 44 H GLU 44 7.526 -6.334 -3.262 321 HA GLU 44 HA GLU 44 6.934 -5.394 -5.926 322 HB2 GLU 44 1HB GLU 44 4.666 -5.268 -5.218 323 HB3 GLU 44 2HB GLU 44 5.337 -6.727 -4.502 324 HG2 GLU 44 1HG GLU 44 5.123 -4.114 -3.034 325 HG3 GLU 44 2HG GLU 44 3.873 -5.356 -3.003 326 H LYS 45 H LYS 45 5.838 -3.301 -6.279 327 HA LYS 45 HA LYS 45 7.314 -1.116 -5.863 328 HB2 LYS 45 1HB LYS 45 4.293 -1.206 -5.791 329 HB3 LYS 45 2HB LYS 45 5.239 0.260 -6.015 330 HG2 LYS 45 1HG LYS 45 6.285 -1.165 -7.990 331 HG3 LYS 45 2HG LYS 45 4.719 -1.974 -7.892 332 HD2 LYS 45 1HD LYS 45 3.799 0.481 -7.876 333 HD3 LYS 45 2HD LYS 45 5.361 0.853 -8.610 334 HE2 LYS 45 1HE LYS 45 4.779 -1.116 -10.205 335 HE3 LYS 45 2HE LYS 45 3.126 -0.839 -9.657 336 HZ1 LYS 45 1HZ LYS 45 4.106 1.649 -10.274 337 HZ2 LYS 45 2HZ LYS 45 3.018 0.738 -11.194 338 HZ3 LYS 45 3HZ LYS 45 4.677 0.654 -11.517 339 HA PRO 46 HA PRO 46 7.439 -0.447 -1.483 340 HB2 PRO 46 1HB PRO 46 8.708 1.952 -1.561 341 HB3 PRO 46 2HB PRO 46 9.538 0.416 -1.838 342 HG2 PRO 46 1HG PRO 46 8.525 2.408 -3.830 343 HG3 PRO 46 2HG PRO 46 10.061 1.522 -3.816 344 HD2 PRO 46 1HD PRO 46 7.964 0.778 -5.358 345 HD3 PRO 46 2HD PRO 46 9.109 -0.394 -4.673 346 H TYR 47 H TYR 47 5.477 1.060 -3.668 347 HA TYR 47 HA TYR 47 4.121 2.555 -1.545 348 HB2 TYR 47 1HB TYR 47 4.539 3.698 -4.310 349 HB3 TYR 47 2HB TYR 47 3.788 4.493 -2.931 350 HD1 TYR 47 2HD TYR 47 5.194 5.173 -0.988 351 HD2 TYR 47 1HD TYR 47 6.900 3.691 -4.593 352 HE1 TYR 47 2HE TYR 47 7.373 6.109 -0.335 353 HE2 TYR 47 1HE TYR 47 9.084 4.622 -3.950 354 HH TYR 47 HH TYR 47 10.176 5.229 -1.502 355 H LYS 48 H LYS 48 1.961 2.323 -1.553 356 HA LYS 48 HA LYS 48 0.456 1.727 -3.909 357 HB2 LYS 48 1HB LYS 48 1.303 -0.495 -3.608 358 HB3 LYS 48 2HB LYS 48 0.946 -0.461 -1.887 359 HG2 LYS 48 1HG LYS 48 -1.430 -0.454 -2.346 360 HG3 LYS 48 2HG LYS 48 -1.115 -0.390 -4.082 361 HD2 LYS 48 1HD LYS 48 0.152 -2.562 -3.799 362 HD3 LYS 48 2HD LYS 48 -0.520 -2.639 -2.168 363 HE2 LYS 48 1HE LYS 48 -2.775 -2.612 -3.078 364 HE3 LYS 48 2HE LYS 48 -2.133 -2.462 -4.713 365 HZ1 LYS 48 1HZ LYS 48 -1.297 -4.734 -3.049 366 HZ2 LYS 48 2HZ LYS 48 -1.427 -4.627 -4.732 367 HZ3 LYS 48 3HZ LYS 48 -2.820 -4.773 -3.785 368 H CYS 49 H CYS 49 -1.764 1.936 -3.596 369 HA CYS 49 HA CYS 49 -2.510 3.078 -0.998 370 HB2 CYS 49 1HB CYS 49 -2.902 4.568 -2.853 371 HB3 CYS 49 2HB CYS 49 -3.777 3.318 -3.731 372 H ASP 50 H ASP 50 -3.902 2.084 0.313 373 HA ASP 50 HA ASP 50 -4.893 -0.524 -0.387 374 HB2 ASP 50 1HB ASP 50 -4.931 1.171 2.084 375 HB3 ASP 50 2HB ASP 50 -5.994 -0.229 1.974 376 H GLU 51 H GLU 51 -6.294 2.666 0.214 377 HA GLU 51 HA GLU 51 -8.970 2.121 0.275 378 HB2 GLU 51 1HB GLU 51 -7.582 4.401 -1.142 379 HB3 GLU 51 2HB GLU 51 -9.307 4.346 -0.810 380 HG2 GLU 51 1HG GLU 51 -7.325 4.064 1.408 381 HG3 GLU 51 2HG GLU 51 -7.756 5.653 0.779 382 H CYS 52 H CYS 52 -7.153 2.859 -2.708 383 HA CYS 52 HA CYS 52 -9.317 1.744 -4.304 384 HB2 CYS 52 1HB CYS 52 -7.997 2.569 -6.234 385 HB3 CYS 52 2HB CYS 52 -8.350 3.837 -5.065 386 H GLY 53 H GLY 53 -5.845 1.199 -3.770 387 HA2 GLY 53 1HA GLY 53 -4.968 -1.026 -3.560 388 HA3 GLY 53 2HA GLY 53 -6.256 -1.590 -4.615 389 H LYS 54 H LYS 54 -4.091 1.170 -5.085 390 HA LYS 54 HA LYS 54 -3.078 -0.162 -7.511 391 HB2 LYS 54 1HB LYS 54 -4.505 1.870 -7.878 392 HB3 LYS 54 2HB LYS 54 -3.287 2.814 -7.031 393 HG2 LYS 54 1HG LYS 54 -1.637 2.226 -8.724 394 HG3 LYS 54 2HG LYS 54 -2.844 1.252 -9.568 395 HD2 LYS 54 1HD LYS 54 -3.452 4.113 -8.987 396 HD3 LYS 54 2HD LYS 54 -2.340 3.729 -10.304 397 HE2 LYS 54 1HE LYS 54 -4.033 2.310 -11.333 398 HE3 LYS 54 2HE LYS 54 -5.139 2.641 -10.000 399 HZ1 LYS 54 1HZ LYS 54 -4.030 4.866 -11.576 400 HZ2 LYS 54 2HZ LYS 54 -5.472 4.796 -10.697 401 HZ3 LYS 54 3HZ LYS 54 -5.344 3.984 -12.175 402 H ALA 55 H ALA 55 -0.896 -0.116 -7.943 403 HA ALA 55 HA ALA 55 0.808 0.770 -5.713 404 HB1 ALA 55 1HB ALA 55 0.678 -1.674 -7.120 405 HB2 ALA 55 2HB ALA 55 2.217 -0.916 -7.533 406 HB3 ALA 55 3HB ALA 55 1.803 -1.207 -5.844 407 H PHE 56 H PHE 56 2.653 1.979 -6.093 408 HA PHE 56 HA PHE 56 3.068 2.949 -8.835 409 HB2 PHE 56 1HB PHE 56 3.197 4.776 -6.440 410 HB3 PHE 56 2HB PHE 56 3.192 5.219 -8.143 411 HD1 PHE 56 2HD PHE 56 1.102 3.766 -5.452 412 HD2 PHE 56 1HD PHE 56 1.190 5.662 -9.262 413 HE1 PHE 56 2HE PHE 56 -1.341 4.040 -5.368 414 HE2 PHE 56 1HE PHE 56 -1.254 5.940 -9.183 415 HZ PHE 56 HZ PHE 56 -2.523 5.128 -7.235 416 H ILE 57 H ILE 57 5.175 3.433 -9.390 417 HA ILE 57 HA ILE 57 7.207 2.100 -7.909 418 HB ILE 57 HB ILE 57 7.442 3.978 -10.263 419 HG12 ILE 57 1HG1 ILE 57 7.599 0.960 -10.193 420 HG13 ILE 57 2HG1 ILE 57 6.135 1.851 -10.598 421 HG21 ILE 57 1HG2 ILE 57 9.659 2.601 -10.481 422 HG22 ILE 57 2HG2 ILE 57 9.580 4.010 -9.424 423 HG23 ILE 57 3HG2 ILE 57 9.454 2.389 -8.742 424 HD11 ILE 57 1HD1 ILE 57 6.835 2.272 -12.672 425 HD12 ILE 57 2HD1 ILE 57 8.475 2.655 -12.145 426 HD13 ILE 57 3HD1 ILE 57 7.993 0.975 -12.379 427 H GLN 58 H GLN 58 6.966 5.532 -8.865 428 HA GLN 58 HA GLN 58 8.831 6.274 -6.777 429 HB2 GLN 58 1HB GLN 58 7.419 7.805 -8.951 430 HB3 GLN 58 2HB GLN 58 8.350 8.618 -7.700 431 HG2 GLN 58 1HG GLN 58 9.440 6.528 -9.571 432 HG3 GLN 58 2HG GLN 58 9.609 8.269 -9.787 433 HE21 GLN 58 1HE2 GLN 58 11.188 9.325 -8.737 434 HE22 GLN 58 2HE2 GLN 58 12.295 8.590 -7.634 435 H ARG 59 H ARG 59 8.381 7.445 -4.953 436 HA ARG 59 HA ARG 59 5.955 7.099 -3.670 437 HB2 ARG 59 1HB ARG 59 8.239 7.796 -2.708 438 HB3 ARG 59 2HB ARG 59 7.753 9.442 -3.093 439 HG2 ARG 59 1HG ARG 59 6.066 7.628 -1.399 440 HG3 ARG 59 2HG ARG 59 7.341 8.645 -0.725 441 HD2 ARG 59 1HD ARG 59 6.214 10.603 -1.826 442 HD3 ARG 59 2HD ARG 59 4.874 9.525 -2.211 443 HE ARG 59 HE ARG 59 4.229 9.570 0.000 444 HH11 ARG 59 2HH1 ARG 59 7.368 11.035 -0.352 445 HH12 ARG 59 1HH1 ARG 59 7.394 11.675 1.258 446 HH21 ARG 59 2HH2 ARG 59 4.252 10.407 2.122 447 HH22 ARG 59 1HH2 ARG 59 5.622 11.316 2.664 448 H SER 60 H SER 60 7.157 10.017 -5.317 449 HA SER 60 HA SER 60 5.159 11.794 -4.874 450 HB2 SER 60 1HB SER 60 5.646 12.772 -7.076 451 HB3 SER 60 2HB SER 60 7.132 12.290 -6.258 452 HG SER 60 HG SER 60 7.528 11.048 -7.891 453 H HIS 61 H HIS 61 5.130 9.318 -7.431 454 HA HIS 61 HA HIS 61 2.794 9.786 -8.701 455 HB2 HIS 61 1HB HIS 61 3.799 7.095 -7.756 456 HB3 HIS 61 2HB HIS 61 2.547 7.322 -8.974 457 HD1 HIS 61 1HD HIS 61 4.107 6.065 -10.670 458 HD2 HIS 61 2HD HIS 61 5.600 9.676 -9.258 459 HE1 HIS 61 1HE HIS 61 6.001 6.660 -12.215 460 H LEU 62 H LEU 62 3.139 8.361 -5.492 461 HA LEU 62 HA LEU 62 0.320 7.887 -5.187 462 HB2 LEU 62 1HB LEU 62 2.164 6.577 -4.075 463 HB3 LEU 62 2HB LEU 62 2.411 7.969 -3.024 464 HG LEU 62 HG LEU 62 0.024 7.700 -2.278 465 HD11 LEU 62 1HD1 LEU 62 -0.567 5.104 -2.679 466 HD12 LEU 62 2HD1 LEU 62 0.214 5.488 -4.213 467 HD13 LEU 62 3HD1 LEU 62 -1.186 6.418 -3.679 468 HD21 LEU 62 1HD2 LEU 62 2.158 5.664 -1.772 469 HD22 LEU 62 2HD2 LEU 62 0.588 5.534 -0.977 470 HD23 LEU 62 3HD2 LEU 62 1.586 6.968 -0.731 471 H ILE 63 H ILE 63 2.640 10.305 -4.061 472 HA ILE 63 HA ILE 63 1.192 11.730 -2.246 473 HB ILE 63 HB ILE 63 2.913 12.909 -4.431 474 HG12 ILE 63 1HG1 ILE 63 3.614 12.105 -1.599 475 HG13 ILE 63 2HG1 ILE 63 4.040 11.193 -3.043 476 HG21 ILE 63 1HG2 ILE 63 3.244 14.702 -2.621 477 HG22 ILE 63 2HG2 ILE 63 1.744 14.719 -3.547 478 HG23 ILE 63 3HG2 ILE 63 1.764 14.056 -1.913 479 HD11 ILE 63 1HD1 ILE 63 5.020 13.693 -3.592 480 HD12 ILE 63 2HD1 ILE 63 5.311 13.519 -1.861 481 HD13 ILE 63 3HD1 ILE 63 5.950 12.323 -2.988 482 H GLY 64 H GLY 64 1.073 12.172 -5.782 483 HA2 GLY 64 1HA GLY 64 -0.992 14.138 -5.672 484 HA3 GLY 64 2HA GLY 64 -0.446 13.285 -7.108 485 H HIS 65 H HIS 65 -0.998 10.684 -6.529 486 HA HIS 65 HA HIS 65 -3.618 10.346 -7.238 487 HB2 HIS 65 1HB HIS 65 -2.325 8.429 -7.453 488 HB3 HIS 65 2HB HIS 65 -1.663 8.568 -5.827 489 HD1 HIS 65 1HD HIS 65 -4.699 7.368 -7.679 490 HD2 HIS 65 2HD HIS 65 -3.133 7.317 -3.831 491 HE1 HIS 65 1HE HIS 65 -6.138 5.759 -6.388 492 H HIS 66 H HIS 66 -2.294 10.347 -3.945 493 HA HIS 66 HA HIS 66 -4.380 9.648 -2.397 494 HB2 HIS 66 1HB HIS 66 -2.295 11.756 -2.088 495 HB3 HIS 66 2HB HIS 66 -3.612 11.723 -0.920 496 HD1 HIS 66 1HD HIS 66 -0.363 10.316 -1.537 497 HD2 HIS 66 2HD HIS 66 -3.840 9.030 0.339 498 HE1 HIS 66 1HE HIS 66 0.336 8.399 -0.066 499 H ARG 67 H ARG 67 -4.081 12.677 -4.165 500 HA ARG 67 HA ARG 67 -6.064 14.219 -3.114 501 HB2 ARG 67 1HB ARG 67 -5.491 13.799 -6.053 502 HB3 ARG 67 2HB ARG 67 -6.397 15.148 -5.381 503 HG2 ARG 67 1HG ARG 67 -3.578 14.571 -4.539 504 HG3 ARG 67 2HG ARG 67 -3.948 15.534 -5.971 505 HD2 ARG 67 1HD ARG 67 -5.533 16.781 -4.239 506 HD3 ARG 67 2HD ARG 67 -4.342 16.160 -3.097 507 HE ARG 67 HE ARG 67 -3.230 17.526 -5.384 508 HH11 ARG 67 2HH1 ARG 67 -4.398 17.818 -2.118 509 HH12 ARG 67 1HH1 ARG 67 -3.519 19.276 -1.795 510 HH21 ARG 67 2HH2 ARG 67 -2.068 19.445 -4.972 511 HH22 ARG 67 1HH2 ARG 67 -2.195 20.201 -3.419 512 H VAL 68 H VAL 68 -6.544 11.783 -5.676 513 HA VAL 68 HA VAL 68 -9.187 11.910 -6.154 514 HB VAL 68 HB VAL 68 -9.225 9.450 -6.440 515 HG11 VAL 68 1HG1 VAL 68 -6.963 9.492 -7.881 516 HG12 VAL 68 2HG1 VAL 68 -8.443 10.314 -8.381 517 HG13 VAL 68 3HG1 VAL 68 -7.155 11.219 -7.585 518 HG21 VAL 68 1HG2 VAL 68 -6.485 8.856 -6.008 519 HG22 VAL 68 2HG2 VAL 68 -7.127 9.566 -4.526 520 HG23 VAL 68 3HG2 VAL 68 -7.898 8.144 -5.229 521 H HIS 69 H HIS 69 -7.719 10.901 -3.167 522 HA HIS 69 HA HIS 69 -10.392 10.337 -2.061 523 HB2 HIS 69 1HB HIS 69 -7.770 9.401 -0.895 524 HB3 HIS 69 2HB HIS 69 -9.392 8.859 -0.475 525 HD1 HIS 69 1HD HIS 69 -10.525 8.184 -3.211 526 HD2 HIS 69 2HD HIS 69 -6.665 7.202 -2.030 527 HE1 HIS 69 1HE HIS 69 -9.846 6.253 -4.672 528 H THR 70 H THR 70 -10.365 10.705 0.435 529 HA THR 70 HA THR 70 -9.343 13.428 0.859 530 HB THR 70 HB THR 70 -11.582 11.965 2.272 531 HG1 THR 70 1HG THR 70 -12.876 13.504 1.160 532 HG21 THR 70 1HG2 THR 70 -10.153 13.735 3.549 533 HG22 THR 70 2HG2 THR 70 -11.914 13.818 3.622 534 HG23 THR 70 3HG2 THR 70 -11.024 14.892 2.543 535 H GLY 71 H GLY 71 -7.264 12.950 1.576 536 HA2 GLY 71 1HA GLY 71 -7.157 11.941 4.324 537 HA3 GLY 71 2HA GLY 71 -6.146 11.149 3.124 538 H SER 72 H SER 72 -5.698 12.950 5.586 539 HA SER 72 HA SER 72 -3.406 14.301 4.495 540 HB2 SER 72 1HB SER 72 -3.998 16.544 4.999 541 HB3 SER 72 2HB SER 72 -5.377 15.883 4.121 542 HG SER 72 HG SER 72 -6.502 16.448 5.793 543 H GLY 73 H GLY 73 -2.426 15.744 6.384 544 HA2 GLY 73 1HA GLY 73 -2.981 14.805 9.044 545 HA3 GLY 73 2HA GLY 73 -1.519 14.103 8.367 546 HA PRO 74 HA PRO 74 0.865 17.650 9.334 547 HB2 PRO 74 1HB PRO 74 2.196 18.265 7.049 548 HB3 PRO 74 2HB PRO 74 2.566 16.836 8.022 549 HG2 PRO 74 1HG PRO 74 0.925 17.057 5.528 550 HG3 PRO 74 2HG PRO 74 2.125 15.829 5.973 551 HD2 PRO 74 1HD PRO 74 -0.541 15.412 6.201 552 HD3 PRO 74 2HD PRO 74 0.638 14.681 7.309 553 H SER 75 H SER 75 1.454 19.951 8.635 554 HA SER 75 HA SER 75 -1.009 21.309 7.949 555 HB2 SER 75 1HB SER 75 0.011 23.280 8.768 556 HB3 SER 75 2HB SER 75 0.614 21.996 9.817 557 HG SER 75 HG SER 75 2.077 23.686 8.580 558 H SER 76 H SER 76 -1.158 22.950 6.323 559 HA SER 76 HA SER 76 0.441 22.295 3.959 560 HB2 SER 76 1HB SER 76 -2.200 22.415 4.107 561 HB3 SER 76 2HB SER 76 -1.913 24.135 3.842 562 HG SER 76 HG SER 76 -0.413 22.976 2.093 563 H GLY 77 H GLY 77 -0.812 25.173 5.654 564 HA2 GLY 77 1HA GLY 77 1.519 26.618 5.768 565 HA3 GLY 77 2HA GLY 77 0.859 26.971 4.178 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -16.699 -15.837 1.324 2 HA2 GLY 1 1HA GLY 1 -18.435 -15.865 3.086 3 HA3 GLY 1 2HA GLY 1 -17.190 -16.467 4.170 4 H SER 2 H SER 2 -18.735 -14.212 4.738 5 HA SER 2 HA SER 2 -16.775 -12.030 4.442 6 HB2 SER 2 1HB SER 2 -19.763 -11.826 4.897 7 HB3 SER 2 2HB SER 2 -18.650 -10.466 4.747 8 HG SER 2 HG SER 2 -18.549 -10.761 2.646 9 H SER 3 H SER 3 -15.689 -11.576 6.226 10 HA SER 3 HA SER 3 -17.057 -11.675 8.811 11 HB2 SER 3 1HB SER 3 -15.387 -12.987 9.869 12 HB3 SER 3 2HB SER 3 -15.764 -13.837 8.371 13 HG SER 3 HG SER 3 -13.600 -13.753 8.368 14 H GLY 4 H GLY 4 -16.759 -9.820 9.844 15 HA2 GLY 4 1HA GLY 4 -14.490 -8.126 9.056 16 HA3 GLY 4 2HA GLY 4 -15.965 -7.566 9.829 17 H SER 5 H SER 5 -13.673 -6.657 10.853 18 HA SER 5 HA SER 5 -13.358 -8.213 13.337 19 HB2 SER 5 1HB SER 5 -11.275 -6.694 11.764 20 HB3 SER 5 2HB SER 5 -11.033 -7.183 13.441 21 HG SER 5 HG SER 5 -10.196 -8.735 12.005 22 H SER 6 H SER 6 -12.291 -6.686 15.074 23 HA SER 6 HA SER 6 -14.165 -4.521 15.439 24 HB2 SER 6 1HB SER 6 -13.104 -4.299 17.668 25 HB3 SER 6 2HB SER 6 -13.619 -5.953 17.338 26 HG SER 6 HG SER 6 -10.991 -4.898 17.186 27 H GLY 7 H GLY 7 -10.920 -4.900 14.358 28 HA2 GLY 7 1HA GLY 7 -9.474 -3.353 13.447 29 HA3 GLY 7 2HA GLY 7 -10.731 -2.140 13.646 30 H ARG 8 H ARG 8 -11.059 -1.359 15.925 31 HA ARG 8 HA ARG 8 -10.251 -0.304 17.771 32 HB2 ARG 8 1HB ARG 8 -9.623 -2.802 18.219 33 HB3 ARG 8 2HB ARG 8 -7.980 -2.254 17.916 34 HG2 ARG 8 1HG ARG 8 -8.655 -0.401 19.674 35 HG3 ARG 8 2HG ARG 8 -9.800 -1.646 20.177 36 HD2 ARG 8 1HD ARG 8 -6.852 -2.148 19.830 37 HD3 ARG 8 2HD ARG 8 -7.575 -1.660 21.362 38 HE ARG 8 HE ARG 8 -7.716 -4.255 20.122 39 HH11 ARG 8 2HH1 ARG 8 -9.188 -2.067 22.395 40 HH12 ARG 8 1HH1 ARG 8 -9.969 -3.323 23.297 41 HH21 ARG 8 2HH2 ARG 8 -8.739 -5.917 21.301 42 HH22 ARG 8 1HH2 ARG 8 -9.712 -5.513 22.675 43 H SER 9 H SER 9 -9.462 0.726 15.321 44 HA SER 9 HA SER 9 -6.674 1.548 15.800 45 HB2 SER 9 1HB SER 9 -8.290 1.293 13.274 46 HB3 SER 9 2HB SER 9 -6.853 2.313 13.333 47 HG SER 9 HG SER 9 -6.722 -0.335 14.260 48 H GLU 10 H GLU 10 -6.137 3.790 15.282 49 HA GLU 10 HA GLU 10 -8.400 5.598 15.826 50 HB2 GLU 10 1HB GLU 10 -5.544 5.657 16.761 51 HB3 GLU 10 2HB GLU 10 -6.516 7.122 16.732 52 HG2 GLU 10 1HG GLU 10 -6.908 6.462 18.863 53 HG3 GLU 10 2HG GLU 10 -8.217 5.601 18.056 54 H TRP 11 H TRP 11 -8.642 7.417 14.602 55 HA TRP 11 HA TRP 11 -6.597 8.093 12.633 56 HB2 TRP 11 1HB TRP 11 -9.326 7.051 12.001 57 HB3 TRP 11 2HB TRP 11 -8.638 8.296 10.962 58 HD1 TRP 11 HD TRP 11 -8.806 4.668 11.253 59 HE1 TRP 11 1HE TRP 11 -6.985 3.530 9.834 60 HE3 TRP 11 3HE TRP 11 -5.847 8.731 10.319 61 HZ2 TRP 11 2HZ TRP 11 -4.608 4.258 8.497 62 HZ3 TRP 11 3HZ TRP 11 -3.818 8.425 8.962 63 HH2 TRP 11 HH TRP 11 -3.212 6.234 8.071 64 H GLN 12 H GLN 12 -7.565 10.056 11.262 65 HA GLN 12 HA GLN 12 -7.749 12.346 11.538 66 HB2 GLN 12 1HB GLN 12 -10.065 12.989 11.810 67 HB3 GLN 12 2HB GLN 12 -9.978 11.520 10.846 68 HG2 GLN 12 1HG GLN 12 -10.434 10.248 12.979 69 HG3 GLN 12 2HG GLN 12 -10.813 11.805 13.715 70 HE21 GLN 12 1HE2 GLN 12 -12.633 12.946 13.009 71 HE22 GLN 12 2HE2 GLN 12 -13.912 12.170 12.146 72 H GLN 13 H GLN 13 -6.393 11.301 13.748 73 HA GLN 13 HA GLN 13 -6.964 13.345 15.693 74 HB2 GLN 13 1HB GLN 13 -7.297 11.894 17.590 75 HB3 GLN 13 2HB GLN 13 -8.500 11.512 16.366 76 HG2 GLN 13 1HG GLN 13 -7.821 9.429 17.078 77 HG3 GLN 13 2HG GLN 13 -6.843 9.679 15.633 78 HE21 GLN 13 1HE2 GLN 13 -4.998 8.661 16.016 79 HE22 GLN 13 2HE2 GLN 13 -4.003 8.873 17.413 80 H ARG 14 H ARG 14 -5.113 14.061 16.539 81 HA ARG 14 HA ARG 14 -2.624 13.374 15.703 82 HB2 ARG 14 1HB ARG 14 -1.743 14.437 17.752 83 HB3 ARG 14 2HB ARG 14 -3.033 15.375 17.012 84 HG2 ARG 14 1HG ARG 14 -3.687 15.490 19.181 85 HG3 ARG 14 2HG ARG 14 -4.517 14.003 18.716 86 HD2 ARG 14 1HD ARG 14 -2.413 12.792 19.512 87 HD3 ARG 14 2HD ARG 14 -1.967 14.319 20.272 88 HE ARG 14 HE ARG 14 -4.549 13.755 21.091 89 HH11 ARG 14 2HH1 ARG 14 -1.396 12.303 21.356 90 HH12 ARG 14 1HH1 ARG 14 -1.728 11.547 22.879 91 HH21 ARG 14 2HH2 ARG 14 -4.999 12.765 23.096 92 HH22 ARG 14 1HH2 ARG 14 -3.778 11.810 23.867 93 H GLU 15 H GLU 15 -0.966 12.024 16.348 94 HA GLU 15 HA GLU 15 -1.621 9.996 18.375 95 HB2 GLU 15 1HB GLU 15 -1.878 9.265 15.901 96 HB3 GLU 15 2HB GLU 15 -0.120 9.283 15.873 97 HG2 GLU 15 1HG GLU 15 -0.881 7.054 16.301 98 HG3 GLU 15 2HG GLU 15 -0.103 7.687 17.750 99 H ARG 16 H ARG 16 0.190 9.012 19.404 100 HA ARG 16 HA ARG 16 2.726 10.469 19.065 101 HB2 ARG 16 1HB ARG 16 3.040 10.578 21.434 102 HB3 ARG 16 2HB ARG 16 1.440 11.217 21.084 103 HG2 ARG 16 1HG ARG 16 0.380 9.262 21.883 104 HG3 ARG 16 2HG ARG 16 1.905 8.376 21.940 105 HD2 ARG 16 1HD ARG 16 1.503 8.945 24.166 106 HD3 ARG 16 2HD ARG 16 2.654 10.163 23.618 107 HE ARG 16 HE ARG 16 0.136 11.220 23.194 108 HH11 ARG 16 2HH1 ARG 16 2.024 10.111 25.900 109 HH12 ARG 16 1HH1 ARG 16 1.279 11.192 27.031 110 HH21 ARG 16 2HH2 ARG 16 -0.852 12.649 24.673 111 HH22 ARG 16 1HH2 ARG 16 -0.357 12.635 26.331 112 H ARG 17 H ARG 17 4.561 9.268 19.107 113 HA ARG 17 HA ARG 17 4.491 6.517 20.040 114 HB2 ARG 17 1HB ARG 17 3.862 6.826 17.467 115 HB3 ARG 17 2HB ARG 17 5.612 6.886 17.307 116 HG2 ARG 17 1HG ARG 17 5.303 4.657 17.048 117 HG3 ARG 17 2HG ARG 17 5.453 4.709 18.806 118 HD2 ARG 17 1HD ARG 17 3.203 4.372 19.143 119 HD3 ARG 17 2HD ARG 17 2.760 5.039 17.572 120 HE ARG 17 HE ARG 17 4.242 2.571 17.440 121 HH11 ARG 17 2HH1 ARG 17 1.093 4.037 17.673 122 HH12 ARG 17 1HH1 ARG 17 0.262 2.663 17.021 123 HH21 ARG 17 2HH2 ARG 17 3.159 0.757 16.580 124 HH22 ARG 17 1HH2 ARG 17 1.438 0.798 16.401 125 H ARG 18 H ARG 18 6.668 5.516 20.008 126 HA ARG 18 HA ARG 18 8.603 7.354 21.015 127 HB2 ARG 18 1HB ARG 18 8.429 4.409 20.645 128 HB3 ARG 18 2HB ARG 18 10.035 5.108 20.795 129 HG2 ARG 18 1HG ARG 18 9.744 5.664 22.975 130 HG3 ARG 18 2HG ARG 18 8.008 5.926 22.792 131 HD2 ARG 18 1HD ARG 18 7.953 3.985 23.980 132 HD3 ARG 18 2HD ARG 18 8.044 3.312 22.353 133 HE ARG 18 HE ARG 18 10.163 2.551 22.811 134 HH11 ARG 18 2HH1 ARG 18 9.155 4.776 25.292 135 HH12 ARG 18 1HH1 ARG 18 10.492 4.421 26.336 136 HH21 ARG 18 2HH2 ARG 18 11.927 2.075 24.176 137 HH22 ARG 18 1HH2 ARG 18 12.069 2.886 25.699 138 H TYR 19 H TYR 19 8.492 5.264 18.136 139 HA TYR 19 HA TYR 19 10.607 6.941 16.951 140 HB2 TYR 19 1HB TYR 19 9.998 4.008 16.621 141 HB3 TYR 19 2HB TYR 19 10.994 4.888 15.466 142 HD1 TYR 19 2HD TYR 19 10.738 4.217 19.130 143 HD2 TYR 19 1HD TYR 19 13.282 4.988 15.808 144 HE1 TYR 19 2HE TYR 19 12.706 3.855 20.561 145 HE2 TYR 19 1HE TYR 19 15.257 4.627 17.229 146 HH TYR 19 HH TYR 19 14.919 3.729 20.650 147 H LYS 20 H LYS 20 10.408 7.569 14.792 148 HA LYS 20 HA LYS 20 7.986 6.895 13.336 149 HB2 LYS 20 1HB LYS 20 7.288 8.799 14.712 150 HB3 LYS 20 2HB LYS 20 8.643 9.745 14.109 151 HG2 LYS 20 1HG LYS 20 7.669 9.458 11.804 152 HG3 LYS 20 2HG LYS 20 6.233 8.794 12.587 153 HD2 LYS 20 1HD LYS 20 5.964 10.873 13.853 154 HD3 LYS 20 2HD LYS 20 7.403 11.535 13.074 155 HE2 LYS 20 1HE LYS 20 6.326 11.447 10.917 156 HE3 LYS 20 2HE LYS 20 4.922 10.638 11.612 157 HZ1 LYS 20 1HZ LYS 20 4.655 12.676 13.031 158 HZ2 LYS 20 2HZ LYS 20 4.349 12.894 11.382 159 HZ3 LYS 20 3HZ LYS 20 5.808 13.430 12.049 160 H CYS 21 H CYS 21 8.441 6.665 11.246 161 HA CYS 21 HA CYS 21 11.058 7.302 10.258 162 HB2 CYS 21 1HB CYS 21 9.602 5.276 9.637 163 HB3 CYS 21 2HB CYS 21 8.733 6.382 8.578 164 H ASP 22 H ASP 22 10.927 9.632 10.591 165 HA ASP 22 HA ASP 22 9.186 11.429 9.529 166 HB2 ASP 22 1HB ASP 22 12.172 11.809 9.305 167 HB3 ASP 22 2HB ASP 22 10.938 13.044 9.540 168 H GLU 23 H GLU 23 11.508 9.482 7.794 169 HA GLU 23 HA GLU 23 11.761 10.761 5.392 170 HB2 GLU 23 1HB GLU 23 11.516 7.843 6.063 171 HB3 GLU 23 2HB GLU 23 11.720 8.369 4.398 172 HG2 GLU 23 1HG GLU 23 13.890 8.020 4.957 173 HG3 GLU 23 2HG GLU 23 13.736 9.712 5.426 174 H CYS 24 H CYS 24 9.112 8.575 6.327 175 HA CYS 24 HA CYS 24 7.544 9.645 4.074 176 HB2 CYS 24 1HB CYS 24 6.134 7.485 4.658 177 HB3 CYS 24 2HB CYS 24 7.567 7.386 3.641 178 H GLY 25 H GLY 25 7.324 8.609 7.466 179 HA2 GLY 25 1HA GLY 25 6.206 10.318 8.923 180 HA3 GLY 25 2HA GLY 25 4.923 10.313 7.722 181 H LYS 26 H LYS 26 6.603 7.418 8.751 182 HA LYS 26 HA LYS 26 4.069 6.413 9.835 183 HB2 LYS 26 1HB LYS 26 5.569 5.251 7.985 184 HB3 LYS 26 2HB LYS 26 6.432 4.644 9.392 185 HG2 LYS 26 1HG LYS 26 4.368 3.664 10.244 186 HG3 LYS 26 2HG LYS 26 3.492 4.283 8.843 187 HD2 LYS 26 1HD LYS 26 5.295 2.973 7.488 188 HD3 LYS 26 2HD LYS 26 5.519 2.089 8.999 189 HE2 LYS 26 1HE LYS 26 3.923 0.806 7.939 190 HE3 LYS 26 2HE LYS 26 2.925 1.866 8.933 191 HZ1 LYS 26 1HZ LYS 26 2.264 1.563 6.515 192 HZ2 LYS 26 2HZ LYS 26 3.589 2.543 6.133 193 HZ3 LYS 26 3HZ LYS 26 2.337 3.151 7.095 194 H SER 27 H SER 27 4.213 4.950 11.729 195 HA SER 27 HA SER 27 6.400 5.676 13.556 196 HB2 SER 27 1HB SER 27 4.872 6.050 15.368 197 HB3 SER 27 2HB SER 27 4.309 7.016 14.004 198 HG SER 27 HG SER 27 2.900 5.144 13.550 199 H PHE 28 H PHE 28 7.053 4.098 14.982 200 HA PHE 28 HA PHE 28 5.672 1.507 14.837 201 HB2 PHE 28 1HB PHE 28 8.674 1.863 14.717 202 HB3 PHE 28 2HB PHE 28 7.798 0.337 14.659 203 HD1 PHE 28 1HD PHE 28 8.208 3.551 12.840 204 HD2 PHE 28 2HD PHE 28 7.171 -0.571 12.621 205 HE1 PHE 28 1HE PHE 28 8.102 3.712 10.387 206 HE2 PHE 28 2HE PHE 28 7.064 -0.417 10.168 207 HZ PHE 28 HZ PHE 28 7.531 1.726 9.048 208 H SER 29 H SER 29 6.504 -0.014 16.581 209 HA SER 29 HA SER 29 6.667 1.502 19.083 210 HB2 SER 29 1HB SER 29 6.007 -1.421 18.647 211 HB3 SER 29 2HB SER 29 5.898 -0.547 20.175 212 HG SER 29 HG SER 29 4.523 0.735 18.239 213 H HIS 30 H HIS 30 8.278 -1.061 17.278 214 HA HIS 30 HA HIS 30 10.475 -1.003 19.237 215 HB2 HIS 30 1HB HIS 30 9.132 -3.191 18.468 216 HB3 HIS 30 2HB HIS 30 10.345 -3.156 17.191 217 HD1 HIS 30 1HD HIS 30 12.100 -4.783 17.789 218 HD2 HIS 30 2HD HIS 30 10.795 -2.640 21.101 219 HE1 HIS 30 1HE HIS 30 13.534 -5.562 19.702 220 H SER 31 H SER 31 12.094 0.256 18.615 221 HA SER 31 HA SER 31 12.560 1.487 16.264 222 HB2 SER 31 1HB SER 31 14.956 1.586 16.866 223 HB3 SER 31 2HB SER 31 13.919 1.897 18.257 224 HG SER 31 HG SER 31 15.361 -0.455 17.633 225 H SER 32 H SER 32 13.724 -1.762 17.100 226 HA SER 32 HA SER 32 15.256 -2.399 14.945 227 HB2 SER 32 1HB SER 32 13.369 -4.009 16.617 228 HB3 SER 32 2HB SER 32 14.103 -4.761 15.200 229 HG SER 32 HG SER 32 15.650 -3.393 17.127 230 H ASP 33 H ASP 33 11.717 -2.477 15.090 231 HA ASP 33 HA ASP 33 11.254 -3.527 12.535 232 HB2 ASP 33 1HB ASP 33 9.620 -1.776 14.358 233 HB3 ASP 33 2HB ASP 33 9.024 -2.249 12.769 234 H LEU 34 H LEU 34 10.899 -0.112 13.512 235 HA LEU 34 HA LEU 34 10.503 1.153 11.204 236 HB2 LEU 34 1HB LEU 34 10.784 2.440 13.166 237 HB3 LEU 34 2HB LEU 34 12.442 1.883 13.380 238 HG LEU 34 HG LEU 34 13.053 3.163 11.320 239 HD11 LEU 34 1HD1 LEU 34 11.155 5.086 11.090 240 HD12 LEU 34 2HD1 LEU 34 10.161 3.655 11.364 241 HD13 LEU 34 3HD1 LEU 34 11.302 3.691 10.020 242 HD21 LEU 34 1HD2 LEU 34 12.559 5.456 12.529 243 HD22 LEU 34 2HD2 LEU 34 13.714 4.298 13.188 244 HD23 LEU 34 3HD2 LEU 34 12.081 4.388 13.849 245 H SER 35 H SER 35 13.593 -0.243 12.177 246 HA SER 35 HA SER 35 15.152 0.754 10.065 247 HB2 SER 35 1HB SER 35 15.463 -1.817 11.635 248 HB3 SER 35 2HB SER 35 16.701 -1.108 10.598 249 HG SER 35 HG SER 35 16.215 0.844 12.065 250 H LYS 36 H LYS 36 13.648 -2.461 10.421 251 HA LYS 36 HA LYS 36 14.272 -3.412 7.872 252 HB2 LYS 36 1HB LYS 36 12.869 -5.197 8.333 253 HB3 LYS 36 2HB LYS 36 13.263 -4.623 9.948 254 HG2 LYS 36 1HG LYS 36 11.065 -3.179 9.535 255 HG3 LYS 36 2HG LYS 36 10.700 -4.542 8.474 256 HD2 LYS 36 1HD LYS 36 11.695 -5.116 11.220 257 HD3 LYS 36 2HD LYS 36 10.031 -4.557 11.033 258 HE2 LYS 36 1HE LYS 36 10.234 -7.022 11.028 259 HE3 LYS 36 2HE LYS 36 9.537 -6.383 9.541 260 HZ1 LYS 36 1HZ LYS 36 12.432 -6.813 9.641 261 HZ2 LYS 36 2HZ LYS 36 11.369 -6.938 8.332 262 HZ3 LYS 36 3HZ LYS 36 11.431 -8.169 9.490 263 H HIS 37 H HIS 37 11.597 -1.429 8.992 264 HA HIS 37 HA HIS 37 9.933 -1.601 6.755 265 HB2 HIS 37 1HB HIS 37 8.860 -0.517 8.461 266 HB3 HIS 37 2HB HIS 37 10.309 0.345 8.969 267 HD1 HIS 37 1HD HIS 37 7.584 0.496 6.358 268 HD2 HIS 37 2HD HIS 37 10.538 2.906 8.008 269 HE1 HIS 37 1HE HIS 37 7.161 2.799 5.443 270 H ARG 38 H ARG 38 12.224 1.029 7.521 271 HA ARG 38 HA ARG 38 12.165 2.619 5.410 272 HB2 ARG 38 1HB ARG 38 14.462 1.517 6.938 273 HB3 ARG 38 2HB ARG 38 14.834 2.387 5.456 274 HG2 ARG 38 1HG ARG 38 14.913 4.103 6.944 275 HG3 ARG 38 2HG ARG 38 13.206 4.175 6.502 276 HD2 ARG 38 1HD ARG 38 12.514 3.243 8.501 277 HD3 ARG 38 2HD ARG 38 14.071 2.469 8.795 278 HE ARG 38 HE ARG 38 13.311 5.174 9.473 279 HH11 ARG 38 2HH1 ARG 38 15.921 2.923 8.981 280 HH12 ARG 38 1HH1 ARG 38 17.050 3.822 9.940 281 HH21 ARG 38 2HH2 ARG 38 14.788 6.366 10.738 282 HH22 ARG 38 1HH2 ARG 38 16.404 5.780 10.939 283 H ARG 39 H ARG 39 13.719 -0.572 5.326 284 HA ARG 39 HA ARG 39 14.842 -0.677 2.880 285 HB2 ARG 39 1HB ARG 39 13.087 -2.774 4.163 286 HB3 ARG 39 2HB ARG 39 14.090 -3.074 2.749 287 HG2 ARG 39 1HG ARG 39 16.041 -2.266 4.191 288 HG3 ARG 39 2HG ARG 39 14.942 -2.468 5.556 289 HD2 ARG 39 1HD ARG 39 14.835 -4.760 5.302 290 HD3 ARG 39 2HD ARG 39 15.282 -4.695 3.597 291 HE ARG 39 HE ARG 39 17.388 -3.818 5.323 292 HH11 ARG 39 2HH1 ARG 39 15.830 -6.618 3.961 293 HH12 ARG 39 1HH1 ARG 39 17.235 -7.624 4.091 294 HH21 ARG 39 2HH2 ARG 39 19.244 -5.132 5.499 295 HH22 ARG 39 1HH2 ARG 39 19.176 -6.778 4.967 296 H THR 40 H THR 40 11.374 -1.211 3.485 297 HA THR 40 HA THR 40 10.421 -1.748 1.010 298 HB THR 40 HB THR 40 8.993 -1.514 3.018 299 HG1 THR 40 1HG THR 40 7.657 -1.564 1.351 300 HG21 THR 40 1HG2 THR 40 8.627 1.387 2.550 301 HG22 THR 40 2HG2 THR 40 10.104 0.901 3.384 302 HG23 THR 40 3HG2 THR 40 8.530 0.459 4.046 303 H HIS 41 H HIS 41 11.423 1.420 2.200 304 HA HIS 41 HA HIS 41 10.518 3.144 0.318 305 HB2 HIS 41 1HB HIS 41 13.222 2.999 1.639 306 HB3 HIS 41 2HB HIS 41 12.785 4.324 0.565 307 HD1 HIS 41 1HD HIS 41 10.045 5.091 1.425 308 HD2 HIS 41 2HD HIS 41 12.975 3.961 4.146 309 HE1 HIS 41 1HE HIS 41 9.344 6.093 3.623 310 H THR 42 H THR 42 13.198 0.878 -0.059 311 HA THR 42 HA THR 42 14.453 1.568 -2.313 312 HB THR 42 HB THR 42 14.567 -0.826 -2.977 313 HG1 THR 42 1HG THR 42 12.920 -1.352 -0.725 314 HG21 THR 42 1HG2 THR 42 15.134 -1.495 -0.373 315 HG22 THR 42 2HG2 THR 42 15.238 0.266 -0.351 316 HG23 THR 42 3HG2 THR 42 16.228 -0.662 -1.477 317 H GLY 43 H GLY 43 11.375 -0.247 -2.397 318 HA2 GLY 43 1HA GLY 43 9.749 -0.386 -4.011 319 HA3 GLY 43 2HA GLY 43 10.163 1.280 -4.387 320 H GLU 44 H GLU 44 9.316 -0.563 -6.316 321 HA GLU 44 HA GLU 44 11.764 -0.795 -7.935 322 HB2 GLU 44 1HB GLU 44 10.643 -2.989 -7.004 323 HB3 GLU 44 2HB GLU 44 9.511 -2.723 -8.323 324 HG2 GLU 44 1HG GLU 44 11.696 -2.499 -9.746 325 HG3 GLU 44 2HG GLU 44 12.402 -3.415 -8.416 326 H LYS 45 H LYS 45 8.252 -0.430 -7.903 327 HA LYS 45 HA LYS 45 7.908 0.051 -10.655 328 HB2 LYS 45 1HB LYS 45 6.310 0.557 -8.193 329 HB3 LYS 45 2HB LYS 45 5.844 1.409 -9.659 330 HG2 LYS 45 1HG LYS 45 4.557 -0.445 -9.883 331 HG3 LYS 45 2HG LYS 45 6.017 -1.017 -10.695 332 HD2 LYS 45 1HD LYS 45 6.691 -1.829 -8.312 333 HD3 LYS 45 2HD LYS 45 4.963 -1.698 -7.979 334 HE2 LYS 45 1HE LYS 45 5.155 -3.892 -8.671 335 HE3 LYS 45 2HE LYS 45 4.706 -3.076 -10.167 336 HZ1 LYS 45 1HZ LYS 45 7.538 -3.147 -9.755 337 HZ2 LYS 45 2HZ LYS 45 6.634 -3.620 -11.104 338 HZ3 LYS 45 3HZ LYS 45 6.863 -4.697 -9.819 339 HA PRO 46 HA PRO 46 9.342 4.150 -11.289 340 HB2 PRO 46 1HB PRO 46 7.537 5.088 -13.086 341 HB3 PRO 46 2HB PRO 46 8.769 3.890 -13.499 342 HG2 PRO 46 1HG PRO 46 5.878 3.483 -12.837 343 HG3 PRO 46 2HG PRO 46 6.851 2.727 -14.112 344 HD2 PRO 46 1HD PRO 46 6.277 1.474 -11.781 345 HD3 PRO 46 2HD PRO 46 7.794 1.202 -12.662 346 H TYR 47 H TYR 47 6.633 3.518 -9.540 347 HA TYR 47 HA TYR 47 6.453 6.262 -8.619 348 HB2 TYR 47 1HB TYR 47 3.950 4.821 -9.507 349 HB3 TYR 47 2HB TYR 47 4.069 6.467 -8.896 350 HD1 TYR 47 2HD TYR 47 5.113 8.231 -10.295 351 HD2 TYR 47 1HD TYR 47 4.397 4.314 -11.796 352 HE1 TYR 47 2HE TYR 47 5.380 9.068 -12.592 353 HE2 TYR 47 1HE TYR 47 4.663 5.141 -14.097 354 HH TYR 47 HH TYR 47 4.480 7.276 -15.319 355 H LYS 48 H LYS 48 5.965 6.407 -6.488 356 HA LYS 48 HA LYS 48 4.711 4.207 -5.086 357 HB2 LYS 48 1HB LYS 48 7.283 3.810 -5.296 358 HB3 LYS 48 2HB LYS 48 7.399 5.058 -4.063 359 HG2 LYS 48 1HG LYS 48 5.610 3.535 -2.858 360 HG3 LYS 48 2HG LYS 48 6.342 2.293 -3.876 361 HD2 LYS 48 1HD LYS 48 8.477 2.632 -2.920 362 HD3 LYS 48 2HD LYS 48 7.975 4.140 -2.151 363 HE2 LYS 48 1HE LYS 48 6.261 2.640 -0.911 364 HE3 LYS 48 2HE LYS 48 7.321 1.317 -1.396 365 HZ1 LYS 48 1HZ LYS 48 8.495 3.669 -0.091 366 HZ2 LYS 48 2HZ LYS 48 9.008 2.058 -0.066 367 HZ3 LYS 48 3HZ LYS 48 7.676 2.535 0.861 368 H CYS 49 H CYS 49 3.557 4.921 -3.393 369 HA CYS 49 HA CYS 49 3.739 7.761 -2.735 370 HB2 CYS 49 1HB CYS 49 1.536 6.776 -3.327 371 HB3 CYS 49 2HB CYS 49 1.653 5.728 -1.917 372 H ASP 50 H ASP 50 5.294 8.108 -1.254 373 HA ASP 50 HA ASP 50 6.176 6.376 0.723 374 HB2 ASP 50 1HB ASP 50 6.128 9.397 0.877 375 HB3 ASP 50 2HB ASP 50 7.183 8.321 1.789 376 H GLU 51 H GLU 51 3.676 8.887 0.912 377 HA GLU 51 HA GLU 51 3.031 8.992 3.518 378 HB2 GLU 51 1HB GLU 51 1.053 8.655 1.257 379 HB3 GLU 51 2HB GLU 51 0.656 9.252 2.862 380 HG2 GLU 51 1HG GLU 51 2.541 10.562 0.915 381 HG3 GLU 51 2HG GLU 51 0.886 11.066 1.254 382 H CYS 52 H CYS 52 1.529 6.565 1.373 383 HA CYS 52 HA CYS 52 0.846 4.948 3.697 384 HB2 CYS 52 1HB CYS 52 -0.281 3.502 1.922 385 HB3 CYS 52 2HB CYS 52 -0.936 5.120 2.151 386 H GLY 53 H GLY 53 2.547 4.500 0.593 387 HA2 GLY 53 1HA GLY 53 4.765 3.454 0.675 388 HA3 GLY 53 2HA GLY 53 4.127 2.378 1.909 389 H LYS 54 H LYS 54 2.318 3.265 -0.950 390 HA LYS 54 HA LYS 54 2.525 0.473 -1.859 391 HB2 LYS 54 1HB LYS 54 0.261 1.284 -1.194 392 HB3 LYS 54 2HB LYS 54 0.352 2.482 -2.478 393 HG2 LYS 54 1HG LYS 54 0.109 0.919 -4.143 394 HG3 LYS 54 2HG LYS 54 0.732 -0.397 -3.145 395 HD2 LYS 54 1HD LYS 54 -1.386 -0.029 -1.722 396 HD3 LYS 54 2HD LYS 54 -1.989 0.867 -3.118 397 HE2 LYS 54 1HE LYS 54 -1.413 -1.189 -4.494 398 HE3 LYS 54 2HE LYS 54 -1.202 -2.032 -2.960 399 HZ1 LYS 54 1HZ LYS 54 -3.651 -1.034 -4.213 400 HZ2 LYS 54 2HZ LYS 54 -3.570 -1.022 -2.524 401 HZ3 LYS 54 3HZ LYS 54 -3.381 -2.475 -3.368 402 H ALA 55 H ALA 55 2.822 0.020 -4.055 403 HA ALA 55 HA ALA 55 3.991 2.241 -5.588 404 HB1 ALA 55 1HB ALA 55 5.701 0.773 -5.604 405 HB2 ALA 55 2HB ALA 55 4.653 -0.615 -5.310 406 HB3 ALA 55 3HB ALA 55 4.797 0.052 -6.936 407 H PHE 56 H PHE 56 3.440 2.571 -7.743 408 HA PHE 56 HA PHE 56 1.170 1.021 -8.779 409 HB2 PHE 56 1HB PHE 56 1.365 4.035 -8.927 410 HB3 PHE 56 2HB PHE 56 0.036 3.033 -9.502 411 HD1 PHE 56 2HD PHE 56 1.862 4.023 -6.427 412 HD2 PHE 56 1HD PHE 56 -1.751 2.525 -8.105 413 HE1 PHE 56 2HE PHE 56 0.761 4.237 -4.238 414 HE2 PHE 56 1HE PHE 56 -2.859 2.737 -5.918 415 HZ PHE 56 HZ PHE 56 -1.602 3.593 -3.980 416 H ILE 57 H ILE 57 2.205 -0.016 -10.397 417 HA ILE 57 HA ILE 57 4.335 0.605 -11.901 418 HB ILE 57 HB ILE 57 1.780 -0.530 -13.045 419 HG12 ILE 57 1HG1 ILE 57 3.317 -2.679 -12.642 420 HG13 ILE 57 2HG1 ILE 57 3.959 -1.659 -11.359 421 HG21 ILE 57 1HG2 ILE 57 2.889 -0.435 -14.978 422 HG22 ILE 57 2HG2 ILE 57 4.406 -0.023 -14.180 423 HG23 ILE 57 3HG2 ILE 57 3.915 -1.711 -14.323 424 HD11 ILE 57 1HD1 ILE 57 1.038 -1.763 -11.474 425 HD12 ILE 57 2HD1 ILE 57 1.822 -3.302 -11.114 426 HD13 ILE 57 3HD1 ILE 57 2.132 -1.895 -10.097 427 H GLN 58 H GLN 58 1.042 1.759 -12.590 428 HA GLN 58 HA GLN 58 2.032 3.493 -14.700 429 HB2 GLN 58 1HB GLN 58 -0.255 2.158 -14.549 430 HB3 GLN 58 2HB GLN 58 -0.784 3.620 -13.728 431 HG2 GLN 58 1HG GLN 58 -0.464 4.944 -15.613 432 HG3 GLN 58 2HG GLN 58 0.586 3.755 -16.383 433 HE21 GLN 58 1HE2 GLN 58 -2.223 5.150 -16.790 434 HE22 GLN 58 2HE2 GLN 58 -3.162 3.859 -17.451 435 H ARG 59 H ARG 59 1.113 5.797 -14.706 436 HA ARG 59 HA ARG 59 1.946 7.047 -12.218 437 HB2 ARG 59 1HB ARG 59 2.892 7.997 -14.195 438 HB3 ARG 59 2HB ARG 59 1.314 8.136 -14.959 439 HG2 ARG 59 1HG ARG 59 0.740 9.999 -13.753 440 HG3 ARG 59 2HG ARG 59 1.814 9.595 -12.413 441 HD2 ARG 59 1HD ARG 59 3.692 10.398 -13.508 442 HD3 ARG 59 2HD ARG 59 2.948 10.253 -15.100 443 HE ARG 59 HE ARG 59 1.427 12.135 -13.971 444 HH11 ARG 59 2HH1 ARG 59 4.885 11.757 -14.113 445 HH12 ARG 59 1HH1 ARG 59 5.204 13.459 -14.075 446 HH21 ARG 59 2HH2 ARG 59 1.834 14.379 -13.919 447 HH22 ARG 59 1HH2 ARG 59 3.467 14.950 -13.963 448 H SER 60 H SER 60 -0.853 7.240 -14.417 449 HA SER 60 HA SER 60 -2.459 8.946 -12.987 450 HB2 SER 60 1HB SER 60 -4.379 7.848 -14.077 451 HB3 SER 60 2HB SER 60 -3.052 8.096 -15.211 452 HG SER 60 HG SER 60 -2.459 5.840 -14.584 453 H HIS 61 H HIS 61 -2.391 5.395 -12.694 454 HA HIS 61 HA HIS 61 -4.249 4.888 -10.822 455 HB2 HIS 61 1HB HIS 61 -1.441 3.789 -10.621 456 HB3 HIS 61 2HB HIS 61 -2.921 3.028 -10.043 457 HD1 HIS 61 1HD HIS 61 -1.361 1.314 -11.846 458 HD2 HIS 61 2HD HIS 61 -4.045 4.122 -13.322 459 HE1 HIS 61 1HE HIS 61 -1.946 0.532 -14.164 460 H LEU 62 H LEU 62 -1.179 6.493 -10.248 461 HA LEU 62 HA LEU 62 -1.523 6.557 -7.388 462 HB2 LEU 62 1HB LEU 62 0.709 6.483 -8.115 463 HB3 LEU 62 2HB LEU 62 0.455 7.769 -9.292 464 HG LEU 62 HG LEU 62 0.148 9.337 -7.338 465 HD11 LEU 62 1HD1 LEU 62 0.898 6.835 -5.896 466 HD12 LEU 62 2HD1 LEU 62 -0.304 8.056 -5.481 467 HD13 LEU 62 3HD1 LEU 62 1.412 8.398 -5.262 468 HD21 LEU 62 1HD2 LEU 62 2.790 8.826 -6.757 469 HD22 LEU 62 2HD2 LEU 62 2.193 9.815 -8.090 470 HD23 LEU 62 3HD2 LEU 62 2.584 8.116 -8.359 471 H ILE 63 H ILE 63 -1.838 8.841 -10.073 472 HA ILE 63 HA ILE 63 -2.247 11.209 -8.781 473 HB ILE 63 HB ILE 63 -3.847 10.203 -11.138 474 HG12 ILE 63 1HG1 ILE 63 -1.415 10.096 -11.500 475 HG13 ILE 63 2HG1 ILE 63 -2.158 11.336 -12.504 476 HG21 ILE 63 1HG2 ILE 63 -4.984 12.097 -10.423 477 HG22 ILE 63 2HG2 ILE 63 -3.507 12.911 -9.908 478 HG23 ILE 63 3HG2 ILE 63 -3.865 12.738 -11.626 479 HD11 ILE 63 1HD1 ILE 63 -0.251 11.593 -10.269 480 HD12 ILE 63 2HD1 ILE 63 -0.398 12.528 -11.757 481 HD13 ILE 63 3HD1 ILE 63 -1.490 12.840 -10.408 482 H GLY 64 H GLY 64 -4.653 8.651 -9.312 483 HA2 GLY 64 1HA GLY 64 -6.789 10.062 -8.058 484 HA3 GLY 64 2HA GLY 64 -6.758 8.345 -8.431 485 H HIS 65 H HIS 65 -4.781 7.333 -6.949 486 HA HIS 65 HA HIS 65 -5.835 6.950 -4.453 487 HB2 HIS 65 1HB HIS 65 -4.184 5.420 -4.981 488 HB3 HIS 65 2HB HIS 65 -3.075 6.658 -5.564 489 HD1 HIS 65 1HD HIS 65 -3.837 4.603 -2.649 490 HD2 HIS 65 2HD HIS 65 -1.801 8.145 -3.404 491 HE1 HIS 65 1HE HIS 65 -2.410 5.004 -0.617 492 H HIS 66 H HIS 66 -3.398 9.348 -5.394 493 HA HIS 66 HA HIS 66 -2.595 10.426 -3.063 494 HB2 HIS 66 1HB HIS 66 -3.254 11.629 -5.702 495 HB3 HIS 66 2HB HIS 66 -2.989 12.735 -4.357 496 HD1 HIS 66 1HD HIS 66 -1.208 11.113 -6.973 497 HD2 HIS 66 2HD HIS 66 -0.361 12.056 -3.017 498 HE1 HIS 66 1HE HIS 66 1.298 11.038 -6.786 499 H ARG 67 H ARG 67 -5.818 10.579 -4.368 500 HA ARG 67 HA ARG 67 -6.702 12.549 -2.431 501 HB2 ARG 67 1HB ARG 67 -7.907 11.153 -4.766 502 HB3 ARG 67 2HB ARG 67 -9.000 11.718 -3.509 503 HG2 ARG 67 1HG ARG 67 -7.724 13.966 -3.780 504 HG3 ARG 67 2HG ARG 67 -7.245 13.290 -5.338 505 HD2 ARG 67 1HD ARG 67 -9.211 14.569 -5.711 506 HD3 ARG 67 2HD ARG 67 -9.678 12.871 -5.792 507 HE ARG 67 HE ARG 67 -10.181 13.482 -3.224 508 HH11 ARG 67 2HH1 ARG 67 -11.027 15.050 -6.215 509 HH12 ARG 67 1HH1 ARG 67 -12.506 15.711 -5.601 510 HH21 ARG 67 2HH2 ARG 67 -12.126 14.347 -2.404 511 HH22 ARG 67 1HH2 ARG 67 -13.130 15.311 -3.433 512 H VAL 68 H VAL 68 -5.614 10.013 -1.469 513 HA VAL 68 HA VAL 68 -7.988 8.762 -0.274 514 HB VAL 68 HB VAL 68 -6.258 7.329 -1.438 515 HG11 VAL 68 1HG1 VAL 68 -4.214 8.313 -0.797 516 HG12 VAL 68 2HG1 VAL 68 -4.630 8.249 0.917 517 HG13 VAL 68 3HG1 VAL 68 -4.274 6.761 0.038 518 HG21 VAL 68 1HG2 VAL 68 -7.531 6.955 1.140 519 HG22 VAL 68 2HG2 VAL 68 -7.399 5.845 -0.225 520 HG23 VAL 68 3HG2 VAL 68 -6.094 5.949 0.957 521 H HIS 69 H HIS 69 -5.070 10.529 0.473 522 HA HIS 69 HA HIS 69 -5.532 10.251 3.345 523 HB2 HIS 69 1HB HIS 69 -3.305 11.786 2.009 524 HB3 HIS 69 2HB HIS 69 -3.363 11.186 3.663 525 HD1 HIS 69 1HD HIS 69 -3.618 8.375 3.681 526 HD2 HIS 69 2HD HIS 69 -1.794 10.211 0.431 527 HE1 HIS 69 1HE HIS 69 -2.257 6.576 2.569 528 H THR 70 H THR 70 -7.555 11.472 3.191 529 HA THR 70 HA THR 70 -7.598 14.196 2.405 530 HB THR 70 HB THR 70 -9.654 12.875 2.513 531 HG1 THR 70 1HG THR 70 -10.235 14.718 4.481 532 HG21 THR 70 1HG2 THR 70 -10.671 12.329 4.683 533 HG22 THR 70 2HG2 THR 70 -9.225 12.917 5.503 534 HG23 THR 70 3HG2 THR 70 -9.132 11.499 4.460 535 H GLY 71 H GLY 71 -7.232 12.587 5.545 536 HA2 GLY 71 1HA GLY 71 -6.069 15.071 6.591 537 HA3 GLY 71 2HA GLY 71 -7.407 14.343 7.467 538 H SER 72 H SER 72 -4.171 14.635 7.473 539 HA SER 72 HA SER 72 -3.419 11.935 8.117 540 HB2 SER 72 1HB SER 72 -1.943 14.563 8.375 541 HB3 SER 72 2HB SER 72 -1.231 12.995 8.751 542 HG SER 72 HG SER 72 -1.171 12.500 6.671 543 H GLY 73 H GLY 73 -3.819 14.956 9.955 544 HA2 GLY 73 1HA GLY 73 -3.894 13.325 12.418 545 HA3 GLY 73 2HA GLY 73 -3.331 14.989 12.359 546 HA PRO 74 HA PRO 74 -7.623 15.269 13.892 547 HB2 PRO 74 1HB PRO 74 -7.158 17.478 15.400 548 HB3 PRO 74 2HB PRO 74 -6.812 15.839 15.964 549 HG2 PRO 74 1HG PRO 74 -4.947 17.881 14.818 550 HG3 PRO 74 2HG PRO 74 -4.710 16.803 16.207 551 HD2 PRO 74 1HD PRO 74 -3.655 16.288 13.766 552 HD3 PRO 74 2HD PRO 74 -4.169 15.001 14.876 553 H SER 75 H SER 75 -8.753 15.942 12.131 554 HA SER 75 HA SER 75 -8.164 18.163 10.532 555 HB2 SER 75 1HB SER 75 -9.824 16.143 10.185 556 HB3 SER 75 2HB SER 75 -10.999 17.263 10.874 557 HG SER 75 HG SER 75 -11.046 17.634 8.717 558 H SER 76 H SER 76 -10.380 17.819 13.279 559 HA SER 76 HA SER 76 -11.514 19.352 14.531 560 HB2 SER 76 1HB SER 76 -9.037 20.987 13.932 561 HB3 SER 76 2HB SER 76 -10.198 21.330 15.214 562 HG SER 76 HG SER 76 -8.104 19.768 15.356 563 H GLY 77 H GLY 77 -12.376 19.294 11.895 564 HA2 GLY 77 1HA GLY 77 -14.159 20.810 11.156 565 HA3 GLY 77 2HA GLY 77 -13.047 22.138 11.452
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