NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
22928 | 2jrz | 15348 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H SER 1 1H SER 1 5.118 17.940 -5.748 2 2H SER 1 2H SER 1 5.421 19.323 -4.828 3 3H SER 1 3H SER 1 4.857 17.916 -4.079 4 HA SER 1 HA SER 1 7.474 18.258 -5.410 5 1HB SER 1 1HB SER 1 6.805 17.894 -2.470 6 2HB SER 1 2HB SER 1 8.419 18.087 -3.156 7 HG SER 1 HG SER 1 8.122 20.168 -3.269 8 H MET 2 H MET 2 6.589 16.347 -6.659 9 HA MET 2 HA MET 2 6.168 13.878 -5.261 10 1HB MET 2 1HB MET 2 5.123 14.518 -7.477 11 2HB MET 2 2HB MET 2 6.695 14.249 -8.218 12 1HG MET 2 1HG MET 2 5.277 12.316 -8.523 13 2HG MET 2 2HG MET 2 6.634 11.909 -7.471 14 1HE MET 2 1HE MET 2 5.353 9.698 -6.678 15 2HE MET 2 2HE MET 2 3.991 10.103 -7.724 16 3HE MET 2 3HE MET 2 3.714 9.704 -6.028 17 H ASN 3 H ASN 3 8.886 15.573 -6.469 18 HA ASN 3 HA ASN 3 10.720 13.596 -7.074 19 1HB ASN 3 1HB ASN 3 11.128 16.031 -7.328 20 2HB ASN 3 2HB ASN 3 11.288 16.171 -5.580 21 1HD2 ASN 3 2HD2 ASN 3 13.129 15.357 -4.572 22 2HD2 ASN 3 1HD2 ASN 3 14.551 14.926 -5.459 23 H GLU 4 H GLU 4 9.585 14.686 -3.947 24 HA GLU 4 HA GLU 4 11.345 13.607 -2.152 25 1HB GLU 4 1HB GLU 4 9.301 14.834 -1.512 26 2HB GLU 4 2HB GLU 4 8.318 13.470 -2.025 27 1HG GLU 4 1HG GLU 4 9.547 12.092 -0.295 28 2HG GLU 4 2HG GLU 4 10.216 13.607 0.306 29 H LEU 5 H LEU 5 8.806 11.948 -3.950 30 HA LEU 5 HA LEU 5 9.583 9.359 -2.895 31 1HB LEU 5 1HB LEU 5 7.206 9.925 -3.234 32 2HB LEU 5 2HB LEU 5 7.492 10.114 -4.952 33 HG LEU 5 HG LEU 5 8.115 7.469 -3.676 34 1HD1 LEU 5 1HD1 LEU 5 5.337 8.366 -4.457 35 2HD1 LEU 5 2HD1 LEU 5 5.894 8.008 -2.821 36 3HD1 LEU 5 3HD1 LEU 5 5.811 6.721 -4.025 37 1HD2 LEU 5 1HD2 LEU 5 8.702 7.803 -6.014 38 2HD2 LEU 5 2HD2 LEU 5 7.046 8.283 -6.385 39 3HD2 LEU 5 3HD2 LEU 5 7.393 6.629 -5.876 40 H GLU 6 H GLU 6 9.928 11.266 -5.827 41 HA GLU 6 HA GLU 6 10.842 9.089 -7.472 42 1HB GLU 6 1HB GLU 6 11.079 12.068 -7.951 43 2HB GLU 6 2HB GLU 6 11.270 10.804 -9.158 44 1HG GLU 6 1HG GLU 6 8.920 10.187 -8.884 45 2HG GLU 6 2HG GLU 6 8.730 11.452 -7.670 46 H ALA 7 H ALA 7 12.342 10.642 -5.000 47 HA ALA 7 HA ALA 7 14.776 11.553 -5.674 48 1HB ALA 7 1HB ALA 7 14.259 9.678 -3.370 49 2HB ALA 7 2HB ALA 7 13.927 11.410 -3.385 50 3HB ALA 7 3HB ALA 7 15.589 10.830 -3.504 51 H GLN 8 H GLN 8 14.154 8.037 -5.239 52 HA GLN 8 HA GLN 8 16.904 7.401 -5.759 53 1HB GLN 8 1HB GLN 8 14.488 5.597 -5.492 54 2HB GLN 8 2HB GLN 8 16.143 5.026 -5.646 55 1HG GLN 8 1HG GLN 8 15.890 4.943 -3.376 56 2HG GLN 8 2HG GLN 8 16.557 6.561 -3.557 57 1HE2 GLN 8 2HE2 GLN 8 15.025 5.578 -1.356 58 2HE2 GLN 8 1HE2 GLN 8 13.593 6.541 -1.259 59 H THR 9 H THR 9 17.780 6.242 -7.525 60 HA THR 9 HA THR 9 16.612 7.283 -9.985 61 HB THR 9 HB THR 9 19.392 6.169 -9.547 62 HG1 THR 9 HG1 THR 9 18.256 8.680 -9.002 63 1HG2 THR 9 1HG2 THR 9 18.275 7.989 -11.691 64 2HG2 THR 9 2HG2 THR 9 18.737 6.300 -11.903 65 3HG2 THR 9 3HG2 THR 9 19.965 7.510 -11.530 66 H ARG 10 H ARG 10 15.836 6.145 -11.560 67 HA ARG 10 HA ARG 10 15.042 4.462 -12.837 68 1HB ARG 10 1HB ARG 10 17.783 3.272 -12.399 69 2HB ARG 10 2HB ARG 10 16.682 2.897 -13.717 70 1HG ARG 10 1HG ARG 10 16.844 5.380 -14.322 71 2HG ARG 10 2HG ARG 10 18.230 5.424 -13.231 72 1HD ARG 10 1HD ARG 10 19.177 5.036 -15.338 73 2HD ARG 10 2HD ARG 10 19.129 3.438 -14.592 74 HE ARG 10 HE ARG 10 17.266 4.418 -16.665 75 1HH1 ARG 10 1HH1 ARG 10 18.767 1.746 -14.952 76 2HH1 ARG 10 2HH1 ARG 10 18.167 0.550 -16.055 77 1HH2 ARG 10 1HH2 ARG 10 16.488 2.834 -18.107 78 2HH2 ARG 10 2HH2 ARG 10 16.879 1.163 -17.838 79 H VAL 11 H VAL 11 15.435 3.848 -9.666 80 HA VAL 11 HA VAL 11 14.277 1.161 -9.930 81 HB VAL 11 HB VAL 11 16.246 1.203 -8.468 82 1HG1 VAL 11 1HG1 VAL 11 16.259 2.468 -6.367 83 2HG1 VAL 11 2HG1 VAL 11 14.729 3.224 -6.812 84 3HG1 VAL 11 3HG1 VAL 11 16.178 3.539 -7.767 85 1HG2 VAL 11 1HG2 VAL 11 14.450 -0.360 -7.923 86 2HG2 VAL 11 2HG2 VAL 11 13.682 0.857 -6.904 87 3HG2 VAL 11 3HG2 VAL 11 15.257 0.201 -6.458 88 H LYS 12 H LYS 12 13.866 4.411 -8.763 89 HA LYS 12 HA LYS 12 11.318 3.806 -7.502 90 1HB LYS 12 1HB LYS 12 13.267 5.730 -7.062 91 2HB LYS 12 2HB LYS 12 12.007 6.643 -7.877 92 1HG LYS 12 1HG LYS 12 11.581 6.863 -5.588 93 2HG LYS 12 2HG LYS 12 10.397 5.694 -6.167 94 1HD LYS 12 1HD LYS 12 11.864 3.870 -5.341 95 2HD LYS 12 2HD LYS 12 12.970 5.085 -4.699 96 1HE LYS 12 1HE LYS 12 10.113 4.589 -3.858 97 2HE LYS 12 2HE LYS 12 11.567 4.286 -2.912 98 1HZ LYS 12 1HZ LYS 12 10.647 6.970 -3.794 99 2HZ LYS 12 2HZ LYS 12 11.974 6.649 -2.800 100 3HZ LYS 12 3HZ LYS 12 10.404 6.320 -2.249 101 H LEU 13 H LEU 13 12.529 5.771 -10.202 102 HA LEU 13 HA LEU 13 10.101 6.793 -11.077 103 1HB LEU 13 1HB LEU 13 12.646 6.202 -12.582 104 2HB LEU 13 2HB LEU 13 11.277 7.000 -13.328 105 HG LEU 13 HG LEU 13 12.879 8.669 -12.698 106 1HD1 LEU 13 1HD1 LEU 13 11.554 10.096 -11.238 107 2HD1 LEU 13 2HD1 LEU 13 10.579 8.710 -10.748 108 3HD1 LEU 13 3HD1 LEU 13 10.534 9.273 -12.419 109 1HD2 LEU 13 1HD2 LEU 13 14.093 7.414 -10.990 110 2HD2 LEU 13 2HD2 LEU 13 12.728 7.584 -9.884 111 3HD2 LEU 13 3HD2 LEU 13 13.628 9.010 -10.403 112 H ASN 14 H ASN 14 11.714 3.760 -12.003 113 HA ASN 14 HA ASN 14 9.933 3.050 -14.069 114 1HB ASN 14 1HB ASN 14 11.579 1.249 -12.265 115 2HB ASN 14 2HB ASN 14 10.797 0.740 -13.758 116 1HD2 ASN 14 2HD2 ASN 14 12.706 0.161 -14.753 117 2HD2 ASN 14 1HD2 ASN 14 13.877 1.317 -15.276 118 H TYR 15 H TYR 15 10.029 2.058 -10.668 119 HA TYR 15 HA TYR 15 7.702 0.490 -10.642 120 1HB TYR 15 1HB TYR 15 9.393 0.436 -8.868 121 2HB TYR 15 2HB TYR 15 9.011 2.090 -8.426 122 HD1 TYR 15 HD1 TYR 15 6.568 2.526 -7.559 123 HD2 TYR 15 HD2 TYR 15 8.363 -1.334 -7.752 124 HE1 TYR 15 HE1 TYR 15 4.999 1.726 -5.853 125 HE2 TYR 15 HE2 TYR 15 6.796 -2.143 -6.046 126 HH TYR 15 HH TYR 15 5.384 -1.305 -4.278 127 H LEU 16 H LEU 16 8.219 3.937 -10.018 128 HA LEU 16 HA LEU 16 5.609 4.542 -9.156 129 1HB LEU 16 1HB LEU 16 7.513 6.025 -8.747 130 2HB LEU 16 2HB LEU 16 7.662 6.331 -10.468 131 HG LEU 16 HG LEU 16 5.451 7.432 -10.464 132 1HD1 LEU 16 1HD1 LEU 16 5.532 6.965 -7.481 133 2HD1 LEU 16 2HD1 LEU 16 4.415 6.221 -8.625 134 3HD1 LEU 16 3HD1 LEU 16 4.352 7.958 -8.336 135 1HD2 LEU 16 1HD2 LEU 16 6.114 9.446 -9.237 136 2HD2 LEU 16 2HD2 LEU 16 7.462 8.778 -10.158 137 3HD2 LEU 16 3HD2 LEU 16 7.378 8.531 -8.413 138 H ASP 17 H ASP 17 7.145 4.854 -12.342 139 HA ASP 17 HA ASP 17 4.939 5.927 -13.695 140 1HB ASP 17 1HB ASP 17 7.263 5.879 -14.583 141 2HB ASP 17 2HB ASP 17 7.114 4.142 -14.825 142 H GLN 18 H GLN 18 5.939 2.585 -13.132 143 HA GLN 18 HA GLN 18 3.887 1.311 -14.603 144 1HB GLN 18 1HB GLN 18 5.920 0.156 -13.836 145 2HB GLN 18 2HB GLN 18 5.415 0.360 -12.164 146 1HG GLN 18 1HG GLN 18 3.387 -1.018 -12.703 147 2HG GLN 18 2HG GLN 18 4.112 -1.346 -14.276 148 1HE2 GLN 18 2HE2 GLN 18 5.903 -1.051 -11.269 149 2HE2 GLN 18 1HE2 GLN 18 6.393 -2.706 -11.185 150 H ILE 19 H ILE 19 4.186 2.007 -11.139 151 HA ILE 19 HA ILE 19 1.683 0.951 -10.358 152 HB ILE 19 HB ILE 19 3.802 1.502 -8.925 153 1HG1 ILE 19 1HG1 ILE 19 2.254 1.970 -6.879 154 2HG1 ILE 19 2HG1 ILE 19 0.939 1.805 -8.039 155 1HG2 ILE 19 1HG2 ILE 19 2.339 4.128 -8.677 156 2HG2 ILE 19 2HG2 ILE 19 3.909 3.878 -9.438 157 3HG2 ILE 19 3HG2 ILE 19 3.718 3.611 -7.706 158 1HD1 ILE 19 1HD1 ILE 19 1.754 -0.446 -8.598 159 2HD1 ILE 19 2HD1 ILE 19 1.318 -0.278 -6.898 160 3HD1 ILE 19 3HD1 ILE 19 3.015 -0.272 -7.377 161 H ALA 20 H ALA 20 2.615 3.898 -11.826 162 HA ALA 20 HA ALA 20 0.210 5.337 -11.145 163 1HB ALA 20 1HB ALA 20 1.009 7.006 -12.750 164 2HB ALA 20 2HB ALA 20 2.292 5.909 -13.263 165 3HB ALA 20 3HB ALA 20 2.285 6.552 -11.620 166 H LYS 21 H LYS 21 1.524 3.801 -14.091 167 HA LYS 21 HA LYS 21 -0.649 4.489 -15.721 168 1HB LYS 21 1HB LYS 21 1.355 2.253 -16.054 169 2HB LYS 21 2HB LYS 21 0.244 2.790 -17.303 170 1HG LYS 21 1HG LYS 21 2.318 4.573 -16.031 171 2HG LYS 21 2HG LYS 21 2.589 3.651 -17.505 172 1HD LYS 21 1HD LYS 21 2.025 5.806 -18.254 173 2HD LYS 21 2HD LYS 21 0.542 4.877 -18.448 174 1HE LYS 21 1HE LYS 21 -0.390 5.853 -16.446 175 2HE LYS 21 2HE LYS 21 1.135 6.657 -16.079 176 1HZ LYS 21 1HZ LYS 21 0.877 8.047 -17.980 177 2HZ LYS 21 2HZ LYS 21 -0.561 8.121 -17.094 178 3HZ LYS 21 3HZ LYS 21 -0.483 7.193 -18.507 179 H PHE 22 H PHE 22 0.020 1.351 -14.076 180 HA PHE 22 HA PHE 22 -2.181 -0.026 -15.115 181 1HB PHE 22 1HB PHE 22 -0.579 -1.310 -13.894 182 2HB PHE 22 2HB PHE 22 -0.764 -0.315 -12.454 183 HD1 PHE 22 HD2 PHE 22 -2.661 -0.614 -10.969 184 HD2 PHE 22 HD1 PHE 22 -2.218 -3.082 -14.410 185 HE1 PHE 22 HE2 PHE 22 -4.348 -2.149 -10.072 186 HE2 PHE 22 HE1 PHE 22 -3.916 -4.616 -13.523 187 HZ PHE 22 HZ PHE 22 -4.984 -4.155 -11.354 188 H TRP 23 H TRP 23 -1.975 2.103 -12.313 189 HA TRP 23 HA TRP 23 -4.655 1.565 -11.456 190 1HB TRP 23 1HB TRP 23 -2.875 2.115 -9.859 191 2HB TRP 23 2HB TRP 23 -2.705 3.709 -10.584 192 HD1 TRP 23 HD1 TRP 23 -3.463 5.214 -8.641 193 HE1 TRP 23 HE1 TRP 23 -5.637 5.483 -7.292 194 HE3 TRP 23 HE3 TRP 23 -5.980 1.090 -10.313 195 HZ2 TRP 23 HZ2 TRP 23 -8.090 4.123 -6.967 196 HZ3 TRP 23 HZ3 TRP 23 -8.235 0.649 -9.447 197 HH2 TRP 23 HH2 TRP 23 -9.269 2.132 -7.799 198 H GLU 24 H GLU 24 -3.049 4.243 -13.155 199 HA GLU 24 HA GLU 24 -5.314 5.948 -13.114 200 1HB GLU 24 1HB GLU 24 -2.895 5.970 -14.934 201 2HB GLU 24 2HB GLU 24 -4.112 7.241 -14.885 202 1HG GLU 24 1HG GLU 24 -3.571 7.544 -12.454 203 2HG GLU 24 2HG GLU 24 -2.230 6.425 -12.679 204 H ILE 25 H ILE 25 -4.193 3.484 -15.358 205 HA ILE 25 HA ILE 25 -6.204 4.148 -17.329 206 HB ILE 25 HB ILE 25 -4.399 1.714 -17.212 207 1HG1 ILE 25 1HG1 ILE 25 -3.016 3.695 -17.289 208 2HG1 ILE 25 2HG1 ILE 25 -3.021 2.974 -18.894 209 1HG2 ILE 25 1HG2 ILE 25 -5.977 2.887 -19.509 210 2HG2 ILE 25 2HG2 ILE 25 -6.312 1.367 -18.677 211 3HG2 ILE 25 3HG2 ILE 25 -4.839 1.545 -19.630 212 1HD1 ILE 25 1HD1 ILE 25 -4.618 5.375 -18.014 213 2HD1 ILE 25 2HD1 ILE 25 -4.666 4.645 -19.620 214 3HD1 ILE 25 3HD1 ILE 25 -3.177 5.382 -19.031 215 H GLN 26 H GLN 26 -6.104 2.361 -14.458 216 HA GLN 26 HA GLN 26 -8.150 0.454 -15.022 217 1HB GLN 26 1HB GLN 26 -6.564 0.264 -13.117 218 2HB GLN 26 2HB GLN 26 -7.326 1.657 -12.367 219 1HG GLN 26 1HG GLN 26 -8.255 -0.155 -11.255 220 2HG GLN 26 2HG GLN 26 -9.488 0.294 -12.425 221 1HE2 GLN 26 2HE2 GLN 26 -7.975 -0.993 -14.664 222 2HE2 GLN 26 1HE2 GLN 26 -8.219 -2.682 -14.445 223 H GLY 27 H GLY 27 -8.191 3.775 -14.887 224 1HA GLY 27 1HA GLY 27 -10.158 5.012 -15.429 225 2HA GLY 27 2HA GLY 27 -11.117 3.817 -14.566 226 H SER 28 H SER 28 -8.153 5.228 -13.354 227 HA SER 28 HA SER 28 -9.578 6.969 -11.505 228 1HB SER 28 1HB SER 28 -7.837 4.672 -10.542 229 2HB SER 28 2HB SER 28 -8.557 5.915 -9.517 230 HG SER 28 HG SER 28 -10.540 4.951 -10.900 231 H SER 29 H SER 29 -7.583 7.675 -9.814 232 HA SER 29 HA SER 29 -5.232 8.255 -11.489 233 1HB SER 29 1HB SER 29 -5.141 10.521 -10.432 234 2HB SER 29 2HB SER 29 -6.565 10.287 -11.444 235 HG SER 29 HG SER 29 -7.830 10.256 -9.702 236 H LEU 30 H LEU 30 -3.257 8.272 -10.407 237 HA LEU 30 HA LEU 30 -3.188 6.698 -8.012 238 1HB LEU 30 1HB LEU 30 -1.499 6.436 -9.784 239 2HB LEU 30 2HB LEU 30 -0.936 8.072 -9.492 240 HG LEU 30 HG LEU 30 -0.251 7.409 -7.200 241 1HD1 LEU 30 1HD1 LEU 30 -1.827 5.577 -6.850 242 2HD1 LEU 30 2HD1 LEU 30 -0.167 5.046 -6.590 243 3HD1 LEU 30 3HD1 LEU 30 -1.004 4.620 -8.083 244 1HD2 LEU 30 1HD2 LEU 30 0.922 5.697 -9.391 245 2HD2 LEU 30 2HD2 LEU 30 1.697 6.101 -7.859 246 3HD2 LEU 30 3HD2 LEU 30 1.362 7.368 -9.038 247 H LYS 31 H LYS 31 -4.185 7.914 -6.426 248 HA LYS 31 HA LYS 31 -2.839 10.400 -5.620 249 1HB LYS 31 1HB LYS 31 -5.564 9.293 -4.897 250 2HB LYS 31 2HB LYS 31 -4.871 10.746 -4.184 251 1HG LYS 31 1HG LYS 31 -4.773 11.779 -6.415 252 2HG LYS 31 2HG LYS 31 -5.505 10.330 -7.106 253 1HD LYS 31 1HD LYS 31 -7.531 10.693 -5.827 254 2HD LYS 31 2HD LYS 31 -6.795 12.059 -4.985 255 1HE LYS 31 1HE LYS 31 -7.348 11.910 -7.952 256 2HE LYS 31 2HE LYS 31 -8.310 12.798 -6.772 257 1HZ LYS 31 1HZ LYS 31 -6.430 14.207 -6.308 258 2HZ LYS 31 2HZ LYS 31 -6.733 14.222 -7.973 259 3HZ LYS 31 3HZ LYS 31 -5.446 13.319 -7.356 260 H ILE 32 H ILE 32 -1.084 9.574 -4.560 261 HA ILE 32 HA ILE 32 -1.660 8.167 -2.033 262 HB ILE 32 HB ILE 32 0.836 7.671 -2.015 263 1HG1 ILE 32 1HG1 ILE 32 0.597 8.482 -4.934 264 2HG1 ILE 32 2HG1 ILE 32 1.538 9.323 -3.707 265 1HG2 ILE 32 1HG2 ILE 32 -0.828 6.445 -4.221 266 2HG2 ILE 32 2HG2 ILE 32 -0.838 5.970 -2.523 267 3HG2 ILE 32 3HG2 ILE 32 0.612 5.727 -3.496 268 1HD1 ILE 32 1HD1 ILE 32 2.983 7.370 -3.477 269 2HD1 ILE 32 2HD1 ILE 32 2.954 7.970 -5.135 270 3HD1 ILE 32 3HD1 ILE 32 2.037 6.527 -4.704 271 HA PRO 33 HA PRO 33 -0.918 12.553 -0.968 272 1HB PRO 33 1HB PRO 33 -2.396 11.804 1.483 273 2HB PRO 33 2HB PRO 33 -2.735 13.081 0.310 274 1HG PRO 33 1HG PRO 33 -4.261 10.886 0.444 275 2HG PRO 33 2HG PRO 33 -3.884 11.655 -1.111 276 1HD PRO 33 1HD PRO 33 -2.635 9.227 0.150 277 2HD PRO 33 2HD PRO 33 -3.159 9.475 -1.531 278 H ASN 34 H ASN 34 -0.534 13.426 1.501 279 HA ASN 34 HA ASN 34 1.857 11.984 2.416 280 1HB ASN 34 1HB ASN 34 1.415 14.985 2.416 281 2HB ASN 34 2HB ASN 34 2.891 14.148 2.876 282 1HD2 ASN 34 2HD2 ASN 34 4.333 13.577 1.314 283 2HD2 ASN 34 1HD2 ASN 34 4.134 13.947 -0.363 284 H VAL 35 H VAL 35 2.394 12.107 4.559 285 HA VAL 35 HA VAL 35 0.654 13.526 6.387 286 HB VAL 35 HB VAL 35 -0.314 11.223 6.263 287 1HG1 VAL 35 1HG1 VAL 35 1.714 9.979 5.758 288 2HG1 VAL 35 2HG1 VAL 35 0.927 9.330 7.196 289 3HG1 VAL 35 3HG1 VAL 35 2.359 10.347 7.359 290 1HG2 VAL 35 1HG2 VAL 35 -0.399 10.823 8.683 291 2HG2 VAL 35 2HG2 VAL 35 -0.568 12.536 8.300 292 3HG2 VAL 35 3HG2 VAL 35 0.965 11.917 8.910 293 H GLU 36 H GLU 36 1.815 14.366 8.089 294 HA GLU 36 HA GLU 36 3.589 14.938 9.379 295 1HB GLU 36 1HB GLU 36 4.437 12.081 8.855 296 2HB GLU 36 2HB GLU 36 5.160 13.143 10.054 297 1HG GLU 36 1HG GLU 36 2.368 12.032 10.016 298 2HG GLU 36 2HG GLU 36 3.638 11.738 11.201 299 H ARG 37 H ARG 37 3.668 15.139 6.415 300 HA ARG 37 HA ARG 37 5.004 16.129 4.878 301 1HB ARG 37 1HB ARG 37 7.110 16.041 7.053 302 2HB ARG 37 2HB ARG 37 7.399 16.716 5.458 303 1HG ARG 37 1HG ARG 37 6.940 18.546 6.866 304 2HG ARG 37 2HG ARG 37 5.479 18.304 5.908 305 1HD ARG 37 1HD ARG 37 4.433 17.137 7.778 306 2HD ARG 37 2HD ARG 37 5.907 17.312 8.730 307 HE ARG 37 HE ARG 37 4.690 19.773 7.775 308 1HH1 ARG 37 1HH1 ARG 37 5.049 17.494 10.422 309 2HH1 ARG 37 2HH1 ARG 37 4.532 18.630 11.629 310 1HH2 ARG 37 1HH2 ARG 37 4.007 21.258 9.368 311 2HH2 ARG 37 2HH2 ARG 37 3.923 20.756 11.027 312 H ARG 38 H ARG 38 4.904 13.143 5.644 313 HA ARG 38 HA ARG 38 7.040 12.288 3.796 314 1HB ARG 38 1HB ARG 38 7.196 11.353 6.118 315 2HB ARG 38 2HB ARG 38 5.612 10.625 5.895 316 1HG ARG 38 1HG ARG 38 6.992 8.848 5.434 317 2HG ARG 38 2HG ARG 38 6.724 9.494 3.817 318 1HD ARG 38 1HD ARG 38 9.133 10.007 5.570 319 2HD ARG 38 2HD ARG 38 9.076 8.938 4.170 320 HE ARG 38 HE ARG 38 8.315 11.386 3.201 321 1HH1 ARG 38 1HH1 ARG 38 11.135 10.141 4.876 322 2HH1 ARG 38 2HH1 ARG 38 12.209 11.317 4.186 323 1HH2 ARG 38 1HH2 ARG 38 9.717 12.921 2.312 324 2HH2 ARG 38 2HH2 ARG 38 11.408 12.898 2.718 325 H ILE 39 H ILE 39 6.303 11.695 1.844 326 HA ILE 39 HA ILE 39 3.537 11.349 1.261 327 HB ILE 39 HB ILE 39 5.158 12.168 -0.418 328 1HG1 ILE 39 1HG1 ILE 39 3.801 9.588 -1.260 329 2HG1 ILE 39 2HG1 ILE 39 3.007 11.154 -1.132 330 1HG2 ILE 39 1HG2 ILE 39 7.066 10.760 0.155 331 2HG2 ILE 39 2HG2 ILE 39 6.673 10.608 -1.557 332 3HG2 ILE 39 3HG2 ILE 39 6.206 9.334 -0.430 333 1HD1 ILE 39 1HD1 ILE 39 3.530 10.623 -3.436 334 2HD1 ILE 39 2HD1 ILE 39 5.237 10.447 -3.029 335 3HD1 ILE 39 3HD1 ILE 39 4.457 12.024 -2.900 336 H LEU 40 H LEU 40 2.421 9.432 0.656 337 HA LEU 40 HA LEU 40 3.132 7.116 2.147 338 1HB LEU 40 1HB LEU 40 0.797 7.738 1.623 339 2HB LEU 40 2HB LEU 40 1.096 7.399 -0.071 340 HG LEU 40 HG LEU 40 1.541 5.019 0.515 341 1HD1 LEU 40 1HD1 LEU 40 2.243 5.316 2.828 342 2HD1 LEU 40 2HD1 LEU 40 0.892 4.188 2.724 343 3HD1 LEU 40 3HD1 LEU 40 0.619 5.843 3.271 344 1HD2 LEU 40 1HD2 LEU 40 -0.796 4.413 0.922 345 2HD2 LEU 40 2HD2 LEU 40 -0.668 5.710 -0.264 346 3HD2 LEU 40 3HD2 LEU 40 -1.151 6.076 1.392 347 H ASP 41 H ASP 41 5.163 6.444 1.499 348 HA ASP 41 HA ASP 41 5.826 5.865 -1.223 349 1HB ASP 41 1HB ASP 41 7.532 6.455 0.485 350 2HB ASP 41 2HB ASP 41 7.198 4.945 1.325 351 H LEU 42 H LEU 42 4.559 4.407 -2.183 352 HA LEU 42 HA LEU 42 3.274 2.245 -0.920 353 1HB LEU 42 1HB LEU 42 2.893 3.536 -3.225 354 2HB LEU 42 2HB LEU 42 3.805 2.186 -3.865 355 HG LEU 42 HG LEU 42 1.275 1.855 -2.233 356 1HD1 LEU 42 1HD1 LEU 42 1.586 1.891 -5.237 357 2HD1 LEU 42 2HD1 LEU 42 0.763 3.107 -4.259 358 3HD1 LEU 42 3HD1 LEU 42 0.118 1.469 -4.353 359 1HD2 LEU 42 1HD2 LEU 42 1.243 -0.390 -3.243 360 2HD2 LEU 42 2HD2 LEU 42 2.679 -0.126 -2.256 361 3HD2 LEU 42 3HD2 LEU 42 2.794 -0.057 -4.015 362 H TYR 43 H TYR 43 6.400 2.567 -2.351 363 HA TYR 43 HA TYR 43 7.047 -0.056 -3.029 364 1HB TYR 43 1HB TYR 43 8.946 1.942 -1.770 365 2HB TYR 43 2HB TYR 43 9.375 0.585 -2.800 366 HD1 TYR 43 HD2 TYR 43 7.208 3.644 -2.939 367 HD2 TYR 43 HD1 TYR 43 9.918 1.076 -4.986 368 HE1 TYR 43 HE2 TYR 43 7.136 5.135 -4.883 369 HE2 TYR 43 HE1 TYR 43 9.865 2.578 -6.930 370 HH TYR 43 HH TYR 43 8.509 5.690 -6.824 371 H SER 44 H SER 44 7.921 1.639 -0.028 372 HA SER 44 HA SER 44 8.839 -0.627 1.339 373 1HB SER 44 1HB SER 44 7.731 1.944 2.512 374 2HB SER 44 2HB SER 44 8.784 0.790 3.337 375 HG SER 44 HG SER 44 9.381 2.578 1.242 376 H LEU 45 H LEU 45 5.682 0.933 1.262 377 HA LEU 45 HA LEU 45 4.389 -0.524 3.245 378 1HB LEU 45 1HB LEU 45 3.364 1.421 2.225 379 2HB LEU 45 2HB LEU 45 3.317 0.628 0.662 380 HG LEU 45 HG LEU 45 1.680 -1.002 1.546 381 1HD1 LEU 45 1HD1 LEU 45 1.761 0.689 4.045 382 2HD1 LEU 45 2HD1 LEU 45 2.320 -0.977 3.892 383 3HD1 LEU 45 3HD1 LEU 45 0.606 -0.603 3.712 384 1HD2 LEU 45 1HD2 LEU 45 0.890 1.891 1.902 385 2HD2 LEU 45 2HD2 LEU 45 -0.223 0.540 1.687 386 3HD2 LEU 45 3HD2 LEU 45 0.884 0.984 0.388 387 H SER 46 H SER 46 4.568 -1.187 -0.244 388 HA SER 46 HA SER 46 3.048 -3.534 -0.183 389 1HB SER 46 1HB SER 46 4.099 -4.010 -2.420 390 2HB SER 46 2HB SER 46 3.381 -2.407 -2.281 391 HG SER 46 HG SER 46 5.492 -1.590 -1.895 392 H LYS 47 H LYS 47 6.615 -3.099 -0.072 393 HA LYS 47 HA LYS 47 7.119 -5.898 -0.088 394 1HB LYS 47 1HB LYS 47 9.417 -5.337 0.604 395 2HB LYS 47 2HB LYS 47 8.873 -4.373 -0.759 396 1HG LYS 47 1HG LYS 47 8.560 -2.454 0.632 397 2HG LYS 47 2HG LYS 47 8.857 -3.399 2.089 398 1HD LYS 47 1HD LYS 47 10.800 -2.018 1.445 399 2HD LYS 47 2HD LYS 47 11.170 -3.741 1.450 400 1HE LYS 47 1HE LYS 47 10.383 -2.306 -1.077 401 2HE LYS 47 2HE LYS 47 12.048 -2.314 -0.503 402 1HZ LYS 47 1HZ LYS 47 11.804 -4.086 -2.042 403 2HZ LYS 47 2HZ LYS 47 10.412 -4.665 -1.286 404 3HZ LYS 47 3HZ LYS 47 11.907 -4.787 -0.509 405 H ILE 48 H ILE 48 6.482 -3.606 2.500 406 HA ILE 48 HA ILE 48 7.296 -5.347 4.617 407 HB ILE 48 HB ILE 48 5.510 -2.909 4.594 408 1HG1 ILE 48 1HG1 ILE 48 8.319 -3.389 5.644 409 2HG1 ILE 48 2HG1 ILE 48 7.909 -2.534 4.161 410 1HG2 ILE 48 1HG2 ILE 48 5.606 -2.944 7.059 411 2HG2 ILE 48 2HG2 ILE 48 6.422 -4.506 6.997 412 3HG2 ILE 48 3HG2 ILE 48 4.765 -4.354 6.414 413 1HD1 ILE 48 1HD1 ILE 48 7.208 -1.670 6.955 414 2HD1 ILE 48 2HD1 ILE 48 6.777 -0.815 5.473 415 3HD1 ILE 48 3HD1 ILE 48 8.471 -0.989 5.930 416 H VAL 49 H VAL 49 4.093 -4.487 3.300 417 HA VAL 49 HA VAL 49 2.549 -6.177 4.911 418 HB VAL 49 HB VAL 49 2.029 -5.282 2.055 419 1HG1 VAL 49 1HG1 VAL 49 -0.338 -5.771 2.514 420 2HG1 VAL 49 2HG1 VAL 49 0.108 -6.445 4.081 421 3HG1 VAL 49 3HG1 VAL 49 0.655 -7.225 2.597 422 1HG2 VAL 49 1HG2 VAL 49 1.087 -4.137 4.692 423 2HG2 VAL 49 2HG2 VAL 49 0.626 -3.555 3.091 424 3HG2 VAL 49 3HG2 VAL 49 2.301 -3.427 3.628 425 H VAL 50 H VAL 50 4.109 -6.801 1.773 426 HA VAL 50 HA VAL 50 3.172 -9.451 1.469 427 HB VAL 50 HB VAL 50 5.650 -8.120 0.336 428 1HG1 VAL 50 1HG1 VAL 50 5.969 -10.536 0.344 429 2HG1 VAL 50 2HG1 VAL 50 5.694 -9.965 -1.301 430 3HG1 VAL 50 3HG1 VAL 50 4.394 -10.767 -0.418 431 1HG2 VAL 50 1HG2 VAL 50 4.322 -7.950 -1.721 432 2HG2 VAL 50 2HG2 VAL 50 3.540 -7.105 -0.384 433 3HG2 VAL 50 3HG2 VAL 50 2.944 -8.683 -0.897 434 H GLU 51 H GLU 51 6.113 -8.106 2.945 435 HA GLU 51 HA GLU 51 7.346 -10.574 3.534 436 1HB GLU 51 1HB GLU 51 8.493 -8.356 3.569 437 2HB GLU 51 2HB GLU 51 7.625 -7.964 5.048 438 1HG GLU 51 1HG GLU 51 8.716 -9.818 6.196 439 2HG GLU 51 2HG GLU 51 9.560 -10.255 4.712 440 H GLU 52 H GLU 52 4.924 -8.669 5.204 441 HA GLU 52 HA GLU 52 4.877 -10.062 7.652 442 1HB GLU 52 1HB GLU 52 2.762 -8.515 6.149 443 2HB GLU 52 2HB GLU 52 2.462 -9.214 7.731 444 1HG GLU 52 1HG GLU 52 4.589 -7.175 7.094 445 2HG GLU 52 2HG GLU 52 3.036 -6.837 7.856 446 H GLY 53 H GLY 53 3.430 -10.725 4.521 447 1HA GLY 53 1HA GLY 53 3.213 -12.978 3.782 448 2HA GLY 53 2HA GLY 53 2.958 -13.479 5.443 449 H GLY 54 H GLY 54 1.070 -10.801 5.116 450 1HA GLY 54 1HA GLY 54 -1.053 -11.645 3.490 451 2HA GLY 54 2HA GLY 54 -1.337 -12.260 5.110 452 H TYR 55 H TYR 55 -1.590 -9.597 3.033 453 HA TYR 55 HA TYR 55 -1.829 -7.389 4.664 454 1HB TYR 55 1HB TYR 55 -2.082 -7.102 2.324 455 2HB TYR 55 2HB TYR 55 -3.359 -8.304 2.226 456 HD1 TYR 55 HD2 TYR 55 -2.713 -5.022 3.915 457 HD2 TYR 55 HD1 TYR 55 -5.504 -7.514 1.887 458 HE1 TYR 55 HE2 TYR 55 -4.392 -3.230 4.029 459 HE2 TYR 55 HE1 TYR 55 -7.185 -5.723 1.989 460 HH TYR 55 HH TYR 55 -7.663 -3.743 3.410 461 H GLU 56 H GLU 56 -4.311 -9.782 3.894 462 HA GLU 56 HA GLU 56 -6.419 -8.855 5.413 463 1HB GLU 56 1HB GLU 56 -6.435 -10.764 3.780 464 2HB GLU 56 2HB GLU 56 -5.665 -11.758 5.009 465 1HG GLU 56 1HG GLU 56 -7.961 -12.270 5.085 466 2HG GLU 56 2HG GLU 56 -7.632 -11.255 6.492 467 H ALA 57 H ALA 57 -3.696 -10.901 6.377 468 HA ALA 57 HA ALA 57 -4.651 -11.568 8.945 469 1HB ALA 57 1HB ALA 57 -1.790 -11.421 7.975 470 2HB ALA 57 2HB ALA 57 -2.858 -12.816 7.829 471 3HB ALA 57 3HB ALA 57 -2.353 -12.258 9.424 472 H ILE 58 H ILE 58 -2.418 -9.024 7.844 473 HA ILE 58 HA ILE 58 -1.881 -7.884 10.353 474 HB ILE 58 HB ILE 58 -2.118 -6.269 7.810 475 1HG1 ILE 58 1HG1 ILE 58 0.303 -7.881 8.674 476 2HG1 ILE 58 2HG1 ILE 58 -0.804 -8.364 7.393 477 1HG2 ILE 58 1HG2 ILE 58 -0.310 -6.008 10.215 478 2HG2 ILE 58 2HG2 ILE 58 -1.723 -5.013 9.867 479 3HG2 ILE 58 3HG2 ILE 58 -0.315 -4.945 8.808 480 1HD1 ILE 58 1HD1 ILE 58 -0.229 -6.321 6.153 481 2HD1 ILE 58 2HD1 ILE 58 1.168 -7.353 6.454 482 3HD1 ILE 58 3HD1 ILE 58 0.922 -5.900 7.422 483 H CYS 59 H CYS 59 -4.537 -7.491 8.101 484 HA CYS 59 HA CYS 59 -5.712 -5.204 9.273 485 1HB CYS 59 1HB CYS 59 -6.915 -7.382 7.545 486 2HB CYS 59 2HB CYS 59 -7.729 -5.872 7.961 487 HG CYS 59 HG CYS 59 -6.670 -5.876 5.297 488 H LYS 60 H LYS 60 -6.607 -8.663 9.573 489 HA LYS 60 HA LYS 60 -8.594 -8.038 11.567 490 1HB LYS 60 1HB LYS 60 -7.670 -10.500 10.171 491 2HB LYS 60 2HB LYS 60 -8.456 -10.713 11.730 492 1HG LYS 60 1HG LYS 60 -10.057 -10.916 9.909 493 2HG LYS 60 2HG LYS 60 -10.426 -9.520 10.921 494 1HD LYS 60 1HD LYS 60 -9.253 -8.080 9.240 495 2HD LYS 60 2HD LYS 60 -9.084 -9.504 8.211 496 1HE LYS 60 1HE LYS 60 -11.560 -9.738 8.212 497 2HE LYS 60 2HE LYS 60 -11.670 -8.240 9.136 498 1HZ LYS 60 1HZ LYS 60 -12.007 -7.724 6.858 499 2HZ LYS 60 2HZ LYS 60 -10.631 -8.580 6.378 500 3HZ LYS 60 3HZ LYS 60 -10.469 -7.150 7.259 501 H ASP 61 H ASP 61 -5.244 -8.703 11.610 502 HA ASP 61 HA ASP 61 -5.295 -9.355 14.468 503 1HB ASP 61 1HB ASP 61 -3.778 -10.558 12.771 504 2HB ASP 61 2HB ASP 61 -2.816 -9.084 12.756 505 H ARG 62 H ARG 62 -5.163 -6.687 12.441 506 HA ARG 62 HA ARG 62 -5.071 -4.461 12.856 507 1HB ARG 62 1HB ARG 62 -6.562 -5.095 14.711 508 2HB ARG 62 2HB ARG 62 -5.170 -5.370 15.744 509 1HG ARG 62 1HG ARG 62 -4.628 -3.016 15.720 510 2HG ARG 62 2HG ARG 62 -5.916 -2.699 14.553 511 1HD ARG 62 1HD ARG 62 -6.439 -2.166 16.978 512 2HD ARG 62 2HD ARG 62 -7.604 -3.188 16.134 513 HE ARG 62 HE ARG 62 -5.709 -4.814 17.440 514 1HH1 ARG 62 1HH1 ARG 62 -8.346 -2.641 18.224 515 2HH1 ARG 62 2HH1 ARG 62 -8.805 -3.523 19.648 516 1HH2 ARG 62 1HH2 ARG 62 -6.326 -5.985 19.282 517 2HH2 ARG 62 2HH2 ARG 62 -7.672 -5.444 20.236 518 H ARG 63 H ARG 63 -2.615 -5.891 12.475 519 HA ARG 63 HA ARG 63 -0.723 -4.818 14.395 520 1HB ARG 63 1HB ARG 63 -0.706 -6.940 12.397 521 2HB ARG 63 2HB ARG 63 0.767 -5.978 12.346 522 1HG ARG 63 1HG ARG 63 0.898 -7.958 13.842 523 2HG ARG 63 2HG ARG 63 1.230 -6.424 14.648 524 1HD ARG 63 1HD ARG 63 -1.194 -6.421 15.371 525 2HD ARG 63 2HD ARG 63 -1.282 -8.081 14.782 526 HE ARG 63 HE ARG 63 0.880 -8.006 16.485 527 1HH1 ARG 63 1HH1 ARG 63 -2.576 -7.469 16.706 528 2HH1 ARG 63 2HH1 ARG 63 -2.645 -7.827 18.404 529 1HH2 ARG 63 1HH2 ARG 63 0.794 -8.474 18.701 530 2HH2 ARG 63 2HH2 ARG 63 -0.724 -8.397 19.543 531 H TRP 64 H TRP 64 -2.267 -3.385 11.975 532 HA TRP 64 HA TRP 64 -0.305 -2.109 10.446 533 1HB TRP 64 1HB TRP 64 -3.019 -1.099 11.330 534 2HB TRP 64 2HB TRP 64 -2.015 -0.303 10.122 535 HD1 TRP 64 HD1 TRP 64 -4.824 -2.587 10.284 536 HE1 TRP 64 HE1 TRP 64 -5.065 -3.949 8.112 537 HE3 TRP 64 HE3 TRP 64 -0.222 -1.688 8.217 538 HZ2 TRP 64 HZ2 TRP 64 -3.525 -4.562 5.846 539 HZ3 TRP 64 HZ3 TRP 64 0.308 -2.703 6.044 540 HH2 TRP 64 HH2 TRP 64 -1.311 -4.113 4.883 541 H ALA 65 H ALA 65 -1.084 -1.771 13.755 542 HA ALA 65 HA ALA 65 -0.151 0.825 14.280 543 1HB ALA 65 1HB ALA 65 -0.021 -1.623 16.051 544 2HB ALA 65 2HB ALA 65 -1.378 -0.502 15.931 545 3HB ALA 65 3HB ALA 65 0.165 0.048 16.584 546 H ARG 66 H ARG 66 1.599 -2.272 14.717 547 HA ARG 66 HA ARG 66 4.115 -1.045 15.091 548 1HB ARG 66 1HB ARG 66 5.083 -3.301 14.758 549 2HB ARG 66 2HB ARG 66 3.757 -3.296 15.911 550 1HG ARG 66 1HG ARG 66 2.276 -4.305 14.344 551 2HG ARG 66 2HG ARG 66 3.419 -4.073 13.020 552 1HD ARG 66 1HD ARG 66 3.958 -5.811 15.431 553 2HD ARG 66 2HD ARG 66 3.308 -6.414 13.906 554 HE ARG 66 HE ARG 66 6.002 -5.278 14.300 555 1HH1 ARG 66 1HH1 ARG 66 3.739 -7.190 12.438 556 2HH1 ARG 66 2HH1 ARG 66 4.922 -7.718 11.286 557 1HH2 ARG 66 1HH2 ARG 66 7.585 -6.014 12.800 558 2HH2 ARG 66 2HH2 ARG 66 7.106 -7.066 11.508 559 H VAL 67 H VAL 67 2.404 -2.147 12.231 560 HA VAL 67 HA VAL 67 4.531 -2.010 10.393 561 HB VAL 67 HB VAL 67 1.579 -1.495 9.920 562 1HG1 VAL 67 1HG1 VAL 67 2.054 -1.955 7.551 563 2HG1 VAL 67 2HG1 VAL 67 3.777 -2.056 7.915 564 3HG1 VAL 67 3HG1 VAL 67 2.920 -0.528 8.119 565 1HG2 VAL 67 1HG2 VAL 67 2.046 -3.730 10.804 566 2HG2 VAL 67 2HG2 VAL 67 3.240 -3.997 9.534 567 3HG2 VAL 67 3HG2 VAL 67 1.535 -3.818 9.118 568 H ALA 68 H ALA 68 2.092 0.453 11.275 569 HA ALA 68 HA ALA 68 3.080 2.546 9.716 570 1HB ALA 68 1HB ALA 68 1.715 2.729 12.409 571 2HB ALA 68 2HB ALA 68 0.908 2.635 10.844 572 3HB ALA 68 3HB ALA 68 1.888 4.045 11.246 573 H GLN 69 H GLN 69 3.928 1.523 12.995 574 HA GLN 69 HA GLN 69 5.852 3.583 13.445 575 1HB GLN 69 1HB GLN 69 5.546 0.876 14.774 576 2HB GLN 69 2HB GLN 69 6.538 2.201 15.378 577 1HG GLN 69 1HG GLN 69 4.589 3.567 15.737 578 2HG GLN 69 2HG GLN 69 3.553 2.362 14.976 579 1HE2 GLN 69 2HE2 GLN 69 3.094 0.456 16.087 580 2HE2 GLN 69 1HE2 GLN 69 3.309 0.312 17.794 581 H ARG 70 H ARG 70 5.914 0.542 11.799 582 HA ARG 70 HA ARG 70 8.756 0.193 11.764 583 1HB ARG 70 1HB ARG 70 6.772 -1.507 11.291 584 2HB ARG 70 2HB ARG 70 6.960 -0.950 9.639 585 1HG ARG 70 1HG ARG 70 9.225 -2.094 11.269 586 2HG ARG 70 2HG ARG 70 8.175 -3.071 10.246 587 1HD ARG 70 1HD ARG 70 8.867 -1.709 8.297 588 2HD ARG 70 2HD ARG 70 9.970 -0.813 9.344 589 HE ARG 70 HE ARG 70 10.834 -3.267 9.780 590 1HH1 ARG 70 1HH1 ARG 70 9.963 -1.773 6.734 591 2HH1 ARG 70 2HH1 ARG 70 11.035 -2.763 5.797 592 1HH2 ARG 70 1HH2 ARG 70 12.257 -4.553 8.551 593 2HH2 ARG 70 2HH2 ARG 70 12.349 -4.330 6.834 594 H LEU 71 H LEU 71 6.369 1.797 9.727 595 HA LEU 71 HA LEU 71 8.310 2.680 7.777 596 1HB LEU 71 1HB LEU 71 5.448 3.410 8.338 597 2HB LEU 71 2HB LEU 71 6.408 4.334 7.203 598 HG LEU 71 HG LEU 71 6.790 2.187 5.918 599 1HD1 LEU 71 1HD1 LEU 71 4.584 1.160 7.698 600 2HD1 LEU 71 2HD1 LEU 71 6.258 0.605 7.694 601 3HD1 LEU 71 3HD1 LEU 71 5.240 0.346 6.278 602 1HD2 LEU 71 1HD2 LEU 71 3.936 3.139 6.188 603 2HD2 LEU 71 2HD2 LEU 71 4.608 2.244 4.823 604 3HD2 LEU 71 3HD2 LEU 71 5.185 3.872 5.179 605 H ASN 72 H ASN 72 7.934 3.385 10.915 606 HA ASN 72 HA ASN 72 9.047 4.831 12.250 607 1HB ASN 72 1HB ASN 72 10.027 6.248 9.762 608 2HB ASN 72 2HB ASN 72 10.732 6.313 11.373 609 1HD2 ASN 72 2HD2 ASN 72 10.173 3.315 11.584 610 2HD2 ASN 72 1HD2 ASN 72 11.470 2.596 10.703 611 H TYR 73 H TYR 73 6.322 5.291 11.205 612 HA TYR 73 HA TYR 73 5.941 8.128 11.156 613 1HB TYR 73 1HB TYR 73 4.049 5.804 11.561 614 2HB TYR 73 2HB TYR 73 3.507 7.475 11.645 615 HD1 TYR 73 HD1 TYR 73 4.533 8.909 9.517 616 HD2 TYR 73 HD2 TYR 73 3.559 4.763 9.547 617 HE1 TYR 73 HE1 TYR 73 4.233 8.967 7.080 618 HE2 TYR 73 HE2 TYR 73 3.262 4.811 7.108 619 HH TYR 73 HH TYR 73 4.265 7.434 5.177 620 HA PRO 74 HA PRO 74 6.088 9.265 15.427 621 1HB PRO 74 1HB PRO 74 3.427 10.565 15.013 622 2HB PRO 74 2HB PRO 74 4.928 11.250 15.649 623 1HG PRO 74 1HG PRO 74 4.146 11.831 13.183 624 2HG PRO 74 2HG PRO 74 5.859 11.514 13.530 625 1HD PRO 74 1HD PRO 74 3.818 9.717 12.260 626 2HD PRO 74 2HD PRO 74 5.525 9.962 11.833 627 HA PRO 75 HA PRO 75 3.812 6.351 17.855 628 1HB PRO 75 1HB PRO 75 3.654 8.489 19.931 629 2HB PRO 75 2HB PRO 75 4.304 6.849 20.049 630 1HG PRO 75 1HG PRO 75 5.946 8.938 19.932 631 2HG PRO 75 2HG PRO 75 6.328 7.440 19.061 632 1HD PRO 75 1HD PRO 75 5.218 10.017 18.002 633 2HD PRO 75 2HD PRO 75 6.446 8.944 17.296 634 H GLY 76 H GLY 76 1.752 6.020 18.983 635 1HA GLY 76 1HA GLY 76 -0.448 6.760 19.587 636 2HA GLY 76 2HA GLY 76 -0.307 8.056 18.406 637 H LYS 77 H LYS 77 0.969 5.847 16.667 638 HA LYS 77 HA LYS 77 0.358 4.656 14.858 639 1HB LYS 77 1HB LYS 77 -0.592 2.563 15.291 640 2HB LYS 77 2HB LYS 77 0.177 3.018 16.797 641 1HG LYS 77 1HG LYS 77 -2.716 3.646 16.497 642 2HG LYS 77 2HG LYS 77 -2.264 1.953 16.670 643 1HD LYS 77 1HD LYS 77 -1.523 4.169 18.590 644 2HD LYS 77 2HD LYS 77 -2.826 3.009 18.826 645 1HE LYS 77 1HE LYS 77 -1.155 1.179 18.781 646 2HE LYS 77 2HE LYS 77 0.124 2.386 18.641 647 1HZ LYS 77 1HZ LYS 77 -0.139 1.694 20.925 648 2HZ LYS 77 2HZ LYS 77 -1.775 2.112 20.907 649 3HZ LYS 77 3HZ LYS 77 -0.595 3.313 20.768 650 H ASN 78 H ASN 78 -1.387 7.058 15.482 651 HA ASN 78 HA ASN 78 -4.035 6.434 14.650 652 1HB ASN 78 1HB ASN 78 -2.543 9.063 14.805 653 2HB ASN 78 2HB ASN 78 -4.245 8.939 14.367 654 1HD2 ASN 78 2HD2 ASN 78 -2.972 10.258 16.643 655 2HD2 ASN 78 1HD2 ASN 78 -3.701 9.570 18.052 656 H ILE 79 H ILE 79 -1.121 6.843 12.947 657 HA ILE 79 HA ILE 79 -2.190 7.844 10.491 658 HB ILE 79 HB ILE 79 0.424 6.364 10.950 659 1HG1 ILE 79 1HG1 ILE 79 1.375 8.755 10.757 660 2HG1 ILE 79 2HG1 ILE 79 -0.268 9.310 11.048 661 1HG2 ILE 79 1HG2 ILE 79 1.159 7.367 8.842 662 2HG2 ILE 79 2HG2 ILE 79 -0.427 8.109 8.629 663 3HG2 ILE 79 3HG2 ILE 79 -0.263 6.352 8.598 664 1HD1 ILE 79 1HD1 ILE 79 1.387 7.622 12.915 665 2HD1 ILE 79 2HD1 ILE 79 -0.260 8.180 13.215 666 3HD1 ILE 79 3HD1 ILE 79 1.056 9.346 13.078 667 H GLY 80 H GLY 80 -2.331 4.846 12.039 668 1HA GLY 80 1HA GLY 80 -2.147 3.005 9.928 669 2HA GLY 80 2HA GLY 80 -3.047 2.762 11.416 670 H SER 81 H SER 81 -4.956 4.782 11.179 671 HA SER 81 HA SER 81 -6.889 3.571 9.529 672 1HB SER 81 1HB SER 81 -7.396 4.946 11.557 673 2HB SER 81 2HB SER 81 -6.943 6.390 10.652 674 HG SER 81 HG SER 81 -8.935 6.394 10.005 675 H LEU 82 H LEU 82 -4.936 6.497 9.117 676 HA LEU 82 HA LEU 82 -5.797 7.372 6.629 677 1HB LEU 82 1HB LEU 82 -4.206 8.640 7.934 678 2HB LEU 82 2HB LEU 82 -3.039 7.335 7.864 679 HG LEU 82 HG LEU 82 -3.119 7.756 5.278 680 1HD1 LEU 82 1HD1 LEU 82 -4.090 10.409 6.329 681 2HD1 LEU 82 2HD1 LEU 82 -4.956 9.323 5.239 682 3HD1 LEU 82 3HD1 LEU 82 -3.469 10.112 4.702 683 1HD2 LEU 82 1HD2 LEU 82 -1.291 9.349 5.482 684 2HD2 LEU 82 2HD2 LEU 82 -1.158 8.063 6.681 685 3HD2 LEU 82 3HD2 LEU 82 -1.737 9.659 7.161 686 H LEU 83 H LEU 83 -3.277 5.017 7.424 687 HA LEU 83 HA LEU 83 -2.462 4.369 4.836 688 1HB LEU 83 1HB LEU 83 -1.197 3.759 6.833 689 2HB LEU 83 2HB LEU 83 -2.477 2.671 7.340 690 HG LEU 83 HG LEU 83 -2.046 1.260 5.356 691 1HD1 LEU 83 1HD1 LEU 83 -1.182 2.977 3.861 692 2HD1 LEU 83 2HD1 LEU 83 -0.042 1.641 4.007 693 3HD1 LEU 83 3HD1 LEU 83 0.256 3.151 4.868 694 1HD2 LEU 83 1HD2 LEU 83 0.391 1.790 7.067 695 2HD2 LEU 83 2HD2 LEU 83 0.098 0.334 6.115 696 3HD2 LEU 83 3HD2 LEU 83 -0.956 0.724 7.473 697 H ARG 84 H ARG 84 -4.814 2.722 6.942 698 HA ARG 84 HA ARG 84 -5.688 0.751 5.202 699 1HB ARG 84 1HB ARG 84 -6.965 2.224 7.475 700 2HB ARG 84 2HB ARG 84 -7.981 1.197 6.473 701 1HG ARG 84 1HG ARG 84 -5.486 0.259 7.881 702 2HG ARG 84 2HG ARG 84 -7.124 0.088 8.517 703 1HD ARG 84 1HD ARG 84 -6.059 -1.105 5.951 704 2HD ARG 84 2HD ARG 84 -6.418 -1.975 7.442 705 HE ARG 84 HE ARG 84 -8.635 -0.520 6.224 706 1HH1 ARG 84 1HH1 ARG 84 -6.996 -3.586 6.606 707 2HH1 ARG 84 2HH1 ARG 84 -8.360 -4.528 6.102 708 1HH2 ARG 84 1HH2 ARG 84 -10.449 -1.774 5.569 709 2HH2 ARG 84 2HH2 ARG 84 -10.312 -3.505 5.524 710 H SER 85 H SER 85 -7.048 4.005 5.646 711 HA SER 85 HA SER 85 -9.123 3.774 3.809 712 1HB SER 85 1HB SER 85 -7.607 6.283 4.586 713 2HB SER 85 2HB SER 85 -9.220 6.228 3.869 714 HG SER 85 HG SER 85 -8.422 5.778 6.468 715 H HIS 86 H HIS 86 -5.768 4.793 3.307 716 HA HIS 86 HA HIS 86 -6.183 5.457 0.539 717 1HB HIS 86 1HB HIS 86 -3.645 5.010 2.134 718 2HB HIS 86 2HB HIS 86 -3.662 5.512 0.448 719 HD1 HIS 86 HD1 HIS 86 -6.274 7.466 1.264 720 HD2 HIS 86 HD2 HIS 86 -2.357 7.513 2.660 721 HE1 HIS 86 HE1 HIS 86 -5.891 9.794 2.124 722 HE2 HIS 86 HE2 HIS 86 -3.498 9.824 2.913 723 H TYR 87 H TYR 87 -5.078 2.619 2.307 724 HA TYR 87 HA TYR 87 -4.115 1.183 0.072 725 1HB TYR 87 1HB TYR 87 -3.749 0.661 2.571 726 2HB TYR 87 2HB TYR 87 -5.334 -0.101 2.529 727 HD1 TYR 87 HD2 TYR 87 -5.618 -1.881 0.521 728 HD2 TYR 87 HD1 TYR 87 -1.897 -0.682 2.225 729 HE1 TYR 87 HE2 TYR 87 -4.577 -3.953 -0.294 730 HE2 TYR 87 HE1 TYR 87 -0.854 -2.754 1.410 731 HH TYR 87 HH TYR 87 -1.639 -5.096 0.771 732 H GLU 88 H GLU 88 -7.222 1.115 1.781 733 HA GLU 88 HA GLU 88 -8.433 -0.885 0.239 734 1HB GLU 88 1HB GLU 88 -9.673 1.359 1.844 735 2HB GLU 88 2HB GLU 88 -10.554 -0.033 1.224 736 1HG GLU 88 1HG GLU 88 -9.292 -1.529 2.617 737 2HG GLU 88 2HG GLU 88 -8.229 -0.220 3.134 738 H ARG 89 H ARG 89 -7.835 2.420 -0.528 739 HA ARG 89 HA ARG 89 -9.921 2.375 -2.609 740 1HB ARG 89 1HB ARG 89 -8.442 4.666 -1.311 741 2HB ARG 89 2HB ARG 89 -9.509 4.864 -2.698 742 1HG ARG 89 1HG ARG 89 -11.405 4.137 -1.442 743 2HG ARG 89 2HG ARG 89 -10.389 3.640 -0.089 744 1HD ARG 89 1HD ARG 89 -9.780 5.967 0.329 745 2HD ARG 89 2HD ARG 89 -10.740 6.481 -1.061 746 HE ARG 89 HE ARG 89 -12.564 6.446 0.289 747 1HH1 ARG 89 1HH1 ARG 89 -10.200 4.245 1.656 748 2HH1 ARG 89 2HH1 ARG 89 -11.208 3.791 2.995 749 1HH2 ARG 89 1HH2 ARG 89 -13.874 5.878 2.075 750 2HH2 ARG 89 2HH2 ARG 89 -13.300 4.717 3.233 751 H ILE 90 H ILE 90 -6.469 2.457 -2.150 752 HA ILE 90 HA ILE 90 -6.113 2.980 -5.040 753 HB ILE 90 HB ILE 90 -4.142 3.588 -2.821 754 1HG1 ILE 90 1HG1 ILE 90 -6.074 5.111 -2.745 755 2HG1 ILE 90 2HG1 ILE 90 -4.627 5.962 -3.271 756 1HG2 ILE 90 1HG2 ILE 90 -2.861 4.756 -4.563 757 2HG2 ILE 90 2HG2 ILE 90 -4.025 4.218 -5.775 758 3HG2 ILE 90 3HG2 ILE 90 -3.035 3.036 -4.919 759 1HD1 ILE 90 1HD1 ILE 90 -5.401 5.835 -5.586 760 2HD1 ILE 90 2HD1 ILE 90 -6.566 6.654 -4.545 761 3HD1 ILE 90 3HD1 ILE 90 -6.853 4.988 -5.049 762 H VAL 91 H VAL 91 -4.649 1.261 -2.266 763 HA VAL 91 HA VAL 91 -2.864 -0.146 -4.082 764 HB VAL 91 HB VAL 91 -3.011 -0.384 -1.071 765 1HG1 VAL 91 1HG1 VAL 91 -1.784 -2.200 -2.126 766 2HG1 VAL 91 2HG1 VAL 91 -0.672 -1.135 -1.267 767 3HG1 VAL 91 3HG1 VAL 91 -0.799 -1.045 -3.025 768 1HG2 VAL 91 1HG2 VAL 91 -1.329 1.499 -2.736 769 2HG2 VAL 91 2HG2 VAL 91 -1.189 1.266 -0.993 770 3HG2 VAL 91 3HG2 VAL 91 -2.664 1.951 -1.674 771 H TYR 92 H TYR 92 -5.832 -0.795 -2.439 772 HA TYR 92 HA TYR 92 -5.499 -3.560 -1.997 773 1HB TYR 92 1HB TYR 92 -7.304 -1.957 -1.041 774 2HB TYR 92 2HB TYR 92 -8.198 -2.324 -2.510 775 HD1 TYR 92 HD2 TYR 92 -6.293 -5.164 -1.597 776 HD2 TYR 92 HD1 TYR 92 -9.842 -3.049 -0.564 777 HE1 TYR 92 HE2 TYR 92 -7.180 -7.183 -0.520 778 HE2 TYR 92 HE1 TYR 92 -10.733 -5.063 0.516 779 HH TYR 92 HH TYR 92 -8.873 -7.721 1.298 780 HA PRO 93 HA PRO 93 -7.588 -3.941 -6.517 781 1HB PRO 93 1HB PRO 93 -6.056 -1.565 -7.521 782 2HB PRO 93 2HB PRO 93 -7.598 -2.224 -8.083 783 1HG PRO 93 1HG PRO 93 -7.548 -0.036 -6.579 784 2HG PRO 93 2HG PRO 93 -8.795 -1.273 -6.324 785 1HD PRO 93 1HD PRO 93 -6.355 -0.675 -4.705 786 2HD PRO 93 2HD PRO 93 -7.958 -1.221 -4.172 787 H TYR 94 H TYR 94 -4.422 -2.641 -5.629 788 HA TYR 94 HA TYR 94 -2.975 -4.173 -7.570 789 1HB TYR 94 1HB TYR 94 -2.196 -2.409 -5.278 790 2HB TYR 94 2HB TYR 94 -0.994 -3.491 -5.975 791 HD1 TYR 94 HD1 TYR 94 -0.203 -3.184 -8.248 792 HD2 TYR 94 HD2 TYR 94 -3.054 -0.512 -6.558 793 HE1 TYR 94 HE1 TYR 94 0.229 -1.588 -10.059 794 HE2 TYR 94 HE2 TYR 94 -2.618 1.101 -8.358 795 HH TYR 94 HH TYR 94 -0.881 1.635 -9.968 796 H GLU 95 H GLU 95 -3.979 -4.696 -4.244 797 HA GLU 95 HA GLU 95 -2.415 -6.992 -3.749 798 1HB GLU 95 1HB GLU 95 -3.700 -5.966 -1.942 799 2HB GLU 95 2HB GLU 95 -5.209 -6.312 -2.777 800 1HG GLU 95 1HG GLU 95 -4.992 -7.929 -1.053 801 2HG GLU 95 2HG GLU 95 -4.665 -8.751 -2.575 802 H MET 96 H MET 96 -5.684 -6.616 -5.082 803 HA MET 96 HA MET 96 -6.131 -9.312 -5.699 804 1HB MET 96 1HB MET 96 -7.877 -7.513 -5.680 805 2HB MET 96 2HB MET 96 -7.223 -6.918 -7.201 806 1HG MET 96 1HG MET 96 -9.179 -8.291 -7.594 807 2HG MET 96 2HG MET 96 -7.741 -9.064 -8.263 808 1HE MET 96 1HE MET 96 -9.786 -12.183 -7.144 809 2HE MET 96 2HE MET 96 -8.876 -11.426 -8.451 810 3HE MET 96 3HE MET 96 -10.388 -10.706 -7.897 811 H TYR 97 H TYR 97 -4.609 -6.717 -7.533 812 HA TYR 97 HA TYR 97 -4.248 -8.106 -9.961 813 1HB TYR 97 1HB TYR 97 -4.043 -5.712 -9.918 814 2HB TYR 97 2HB TYR 97 -2.775 -5.780 -8.703 815 HD1 TYR 97 HD2 TYR 97 -3.425 -7.009 -12.198 816 HD2 TYR 97 HD1 TYR 97 -0.605 -5.436 -9.422 817 HE1 TYR 97 HE2 TYR 97 -1.722 -6.953 -13.966 818 HE2 TYR 97 HE1 TYR 97 1.100 -5.365 -11.187 819 HH TYR 97 HH TYR 97 0.384 -5.683 -14.454 820 H GLN 98 H GLN 98 -1.896 -7.472 -7.355 821 HA GLN 98 HA GLN 98 0.158 -9.063 -8.484 822 1HB GLN 98 1HB GLN 98 0.509 -7.161 -6.906 823 2HB GLN 98 2HB GLN 98 -0.186 -8.127 -5.617 824 1HG GLN 98 1HG GLN 98 2.274 -8.987 -7.126 825 2HG GLN 98 2HG GLN 98 2.348 -7.939 -5.714 826 1HE2 GLN 98 2HE2 GLN 98 1.695 -8.782 -3.687 827 2HE2 GLN 98 1HE2 GLN 98 1.693 -10.483 -3.391 828 H SER 99 H SER 99 -1.877 -9.596 -5.594 829 HA SER 99 HA SER 99 -1.011 -12.229 -5.136 830 1HB SER 99 1HB SER 99 -2.185 -10.770 -3.456 831 2HB SER 99 2HB SER 99 -3.687 -11.029 -4.340 832 HG SER 99 HG SER 99 -2.173 -13.235 -3.483 833 H GLY 100 H GLY 100 -3.777 -10.922 -6.954 834 1HA GLY 100 1HA GLY 100 -4.977 -13.398 -7.582 835 2HA GLY 100 2HA GLY 100 -5.181 -11.901 -8.480 836 H ALA 101 H ALA 101 -2.312 -11.646 -9.058 837 HA ALA 101 HA ALA 101 -2.193 -13.248 -11.419 838 1HB ALA 101 1HB ALA 101 -0.009 -12.215 -11.780 839 2HB ALA 101 2HB ALA 101 -0.037 -11.564 -10.140 840 3HB ALA 101 3HB ALA 101 -1.213 -11.006 -11.331 841 H ASN 102 H ASN 102 -0.385 -13.280 -8.359 842 HA ASN 102 HA ASN 102 1.122 -15.625 -9.212 843 1HB ASN 102 1HB ASN 102 1.254 -14.008 -6.651 844 2HB ASN 102 2HB ASN 102 2.325 -15.349 -7.048 845 1HD2 ASN 102 2HD2 ASN 102 1.533 -12.039 -7.649 846 2HD2 ASN 102 1HD2 ASN 102 2.913 -11.671 -8.623 847 H LEU 103 H LEU 103 -0.796 -14.824 -6.304 848 HA LEU 103 HA LEU 103 -2.317 -17.198 -6.354 849 1HB LEU 103 1HB LEU 103 -1.422 -18.431 -4.496 850 2HB LEU 103 2HB LEU 103 -0.147 -18.209 -5.673 851 HG LEU 103 HG LEU 103 -0.426 -16.635 -3.096 852 1HD1 LEU 103 1HD1 LEU 103 1.467 -18.875 -3.814 853 2HD1 LEU 103 2HD1 LEU 103 0.126 -18.970 -2.673 854 3HD1 LEU 103 3HD1 LEU 103 1.503 -17.927 -2.327 855 1HD2 LEU 103 1HD2 LEU 103 1.814 -16.684 -5.125 856 2HD2 LEU 103 2HD2 LEU 103 1.836 -15.829 -3.582 857 3HD2 LEU 103 3HD2 LEU 103 0.700 -15.347 -4.840 858 H VAL 104 H VAL 104 -4.170 -16.635 -5.384 859 HA VAL 104 HA VAL 104 -4.163 -14.114 -3.937 860 HB VAL 104 HB VAL 104 -5.732 -14.308 -5.778 861 1HG1 VAL 104 1HG1 VAL 104 -7.034 -16.566 -4.249 862 2HG1 VAL 104 2HG1 VAL 104 -6.104 -16.728 -5.739 863 3HG1 VAL 104 3HG1 VAL 104 -7.629 -15.843 -5.744 864 1HG2 VAL 104 1HG2 VAL 104 -7.788 -13.619 -4.625 865 2HG2 VAL 104 2HG2 VAL 104 -6.357 -12.877 -3.910 866 3HG2 VAL 104 3HG2 VAL 104 -7.141 -14.237 -3.105 867 H CYS 105 H CYS 105 -3.872 -14.185 -1.847 868 HA CYS 105 HA CYS 105 -4.630 -16.562 -0.328 869 1HB CYS 105 1HB CYS 105 -3.049 -14.138 0.561 870 2HB CYS 105 2HB CYS 105 -3.191 -15.673 1.416 871 HG CYS 105 HG CYS 105 -1.927 -15.725 -1.730 872 H ASN 106 H ASN 106 -5.574 -13.215 -0.675 873 HA ASN 106 HA ASN 106 -7.160 -13.243 1.784 874 1HB ASN 106 1HB ASN 106 -6.939 -11.039 -0.285 875 2HB ASN 106 2HB ASN 106 -7.581 -10.895 1.347 876 1HD2 ASN 106 2HD2 ASN 106 -5.460 -9.398 0.097 877 2HD2 ASN 106 1HD2 ASN 106 -4.032 -9.650 1.031 878 H THR 107 H THR 107 -7.789 -14.934 -0.619 879 HA THR 107 HA THR 107 -9.763 -13.753 -2.203 880 HB THR 107 HB THR 107 -8.623 -15.631 -3.079 881 HG1 THR 107 HG1 THR 107 -11.260 -15.523 -3.011 882 1HG2 THR 107 1HG2 THR 107 -8.791 -17.894 -2.138 883 2HG2 THR 107 2HG2 THR 107 -9.726 -17.257 -0.786 884 3HG2 THR 107 3HG2 THR 107 -8.047 -16.770 -1.000 885 H ARG 108 H ARG 108 -10.111 -15.289 0.953 886 HA ARG 108 HA ARG 108 -12.999 -15.468 0.533 887 1HB ARG 108 1HB ARG 108 -11.198 -16.585 2.657 888 2HB ARG 108 2HB ARG 108 -12.911 -16.399 2.989 889 1HG ARG 108 1HG ARG 108 -12.680 -18.611 2.288 890 2HG ARG 108 2HG ARG 108 -13.312 -17.768 0.874 891 1HD ARG 108 1HD ARG 108 -11.522 -19.337 0.288 892 2HD ARG 108 2HD ARG 108 -11.084 -17.671 -0.090 893 HE ARG 108 HE ARG 108 -9.863 -17.769 2.148 894 1HH1 ARG 108 1HH1 ARG 108 -10.285 -20.576 0.091 895 2HH1 ARG 108 2HH1 ARG 108 -8.818 -21.338 0.623 896 1HH2 ARG 108 1HH2 ARG 108 -7.945 -18.763 2.846 897 2HH2 ARG 108 2HH2 ARG 108 -7.484 -20.303 2.191 898 HA PRO 109 HA PRO 109 -13.204 -12.685 4.351 899 1HB PRO 109 1HB PRO 109 -10.570 -11.711 5.117 900 2HB PRO 109 2HB PRO 109 -11.715 -12.664 6.059 901 1HG PRO 109 1HG PRO 109 -9.350 -13.664 5.159 902 2HG PRO 109 2HG PRO 109 -10.795 -14.666 5.398 903 1HD PRO 109 1HD PRO 109 -9.708 -13.490 2.854 904 2HD PRO 109 2HD PRO 109 -10.343 -15.123 3.158 905 H PHE 110 H PHE 110 -11.609 -11.999 1.562 906 HA PHE 110 HA PHE 110 -11.178 -9.305 1.376 907 1HB PHE 110 1HB PHE 110 -11.250 -11.260 -0.420 908 2HB PHE 110 2HB PHE 110 -12.877 -10.664 -0.709 909 HD1 PHE 110 HD1 PHE 110 -13.044 -8.067 -1.144 910 HD2 PHE 110 HD2 PHE 110 -9.500 -10.386 -1.625 911 HE1 PHE 110 HE1 PHE 110 -12.136 -6.358 -2.670 912 HE2 PHE 110 HE2 PHE 110 -8.591 -8.681 -3.151 913 HZ PHE 110 HZ PHE 110 -9.908 -6.666 -3.675 914 H ASP 111 H ASP 111 -14.239 -11.043 1.395 915 HA ASP 111 HA ASP 111 -16.037 -8.909 1.139 916 1HB ASP 111 1HB ASP 111 -16.893 -11.120 0.929 917 2HB ASP 111 2HB ASP 111 -16.232 -11.609 2.485 918 H ASN 112 H ASN 112 -14.422 -10.262 3.961 919 HA ASN 112 HA ASN 112 -15.811 -8.566 5.833 920 1HB ASN 112 1HB ASN 112 -13.565 -10.558 6.097 921 2HB ASN 112 2HB ASN 112 -14.004 -9.504 7.436 922 1HD2 ASN 112 2HD2 ASN 112 -16.402 -10.738 5.188 923 2HD2 ASN 112 1HD2 ASN 112 -17.157 -11.812 6.309 924 H GLU 113 H GLU 113 -13.148 -8.160 3.764 925 HA GLU 113 HA GLU 113 -12.007 -5.957 5.252 926 1HB GLU 113 1HB GLU 113 -11.614 -7.088 2.500 927 2HB GLU 113 2HB GLU 113 -10.996 -5.483 2.873 928 1HG GLU 113 1HG GLU 113 -10.322 -7.953 4.460 929 2HG GLU 113 2HG GLU 113 -9.343 -7.328 3.132 930 H GLU 114 H GLU 114 -14.052 -6.307 2.381 931 HA GLU 114 HA GLU 114 -14.698 -3.582 2.051 932 1HB GLU 114 1HB GLU 114 -15.163 -5.276 0.333 933 2HB GLU 114 2HB GLU 114 -16.319 -6.064 1.397 934 1HG GLU 114 1HG GLU 114 -17.531 -4.803 -0.222 935 2HG GLU 114 2HG GLU 114 -17.703 -3.998 1.336 936 H LYS 115 H LYS 115 -15.967 -6.107 4.086 937 HA LYS 115 HA LYS 115 -17.727 -4.181 5.460 938 1HB LYS 115 1HB LYS 115 -19.111 -5.679 4.155 939 2HB LYS 115 2HB LYS 115 -18.239 -7.080 4.756 940 1HG LYS 115 1HG LYS 115 -19.097 -6.433 7.068 941 2HG LYS 115 2HG LYS 115 -20.182 -5.319 6.230 942 1HD LYS 115 1HD LYS 115 -21.278 -7.471 6.698 943 2HD LYS 115 2HD LYS 115 -21.138 -7.179 4.962 944 1HE LYS 115 1HE LYS 115 -19.128 -8.616 4.908 945 2HE LYS 115 2HE LYS 115 -19.328 -8.940 6.629 946 1HZ LYS 115 1HZ LYS 115 -21.280 -9.641 4.504 947 2HZ LYS 115 2HZ LYS 115 -21.449 -9.978 6.151 948 3HZ LYS 115 3HZ LYS 115 -20.219 -10.718 5.260 949 H ASP 116 H ASP 116 -16.211 -3.798 7.100 950 HA ASP 116 HA ASP 116 -14.964 -5.988 8.505 951 1HB ASP 116 1HB ASP 116 -13.792 -3.811 8.178 952 2HB ASP 116 2HB ASP 116 -14.981 -3.039 9.222 953 H LYS 117 H LYS 117 -17.257 -6.801 8.777 954 HA LYS 117 HA LYS 117 -17.887 -6.621 11.550 955 1HB LYS 117 1HB LYS 117 -19.123 -4.640 10.829 956 2HB LYS 117 2HB LYS 117 -19.918 -5.564 9.564 957 1HG LYS 117 1HG LYS 117 -21.526 -5.358 11.249 958 2HG LYS 117 2HG LYS 117 -20.905 -6.995 11.430 959 1HD LYS 117 1HD LYS 117 -19.919 -4.656 13.072 960 2HD LYS 117 2HD LYS 117 -21.257 -5.686 13.571 961 1HE LYS 117 1HE LYS 117 -18.395 -6.534 13.111 962 2HE LYS 117 2HE LYS 117 -19.218 -6.397 14.661 963 1HZ LYS 117 1HZ LYS 117 -20.753 -8.159 13.902 964 2HZ LYS 117 2HZ LYS 117 -19.150 -8.679 14.009 965 3HZ LYS 117 3HZ LYS 117 -19.826 -8.342 12.498 Start of MODEL 2 1 1H SER 1 1H SER 1 4.419 16.114 -2.521 2 2H SER 1 2H SER 1 4.908 15.709 -4.090 3 3H SER 1 3H SER 1 5.990 15.551 -2.797 4 HA SER 1 HA SER 1 4.726 13.818 -1.829 5 1HB SER 1 1HB SER 1 2.839 14.150 -4.180 6 2HB SER 1 2HB SER 1 2.684 12.979 -2.871 7 HG SER 1 HG SER 1 1.672 15.370 -2.930 8 H MET 2 H MET 2 4.509 13.921 -5.390 9 HA MET 2 HA MET 2 5.304 11.289 -5.828 10 1HB MET 2 1HB MET 2 4.228 12.977 -7.440 11 2HB MET 2 2HB MET 2 5.859 13.548 -7.754 12 1HG MET 2 1HG MET 2 5.276 12.031 -9.482 13 2HG MET 2 2HG MET 2 6.455 11.221 -8.449 14 1HE MET 2 1HE MET 2 5.557 9.001 -9.867 15 2HE MET 2 2HE MET 2 4.279 9.947 -10.631 16 3HE MET 2 3HE MET 2 3.884 8.448 -9.790 17 H ASN 3 H ASN 3 7.242 14.251 -5.722 18 HA ASN 3 HA ASN 3 9.654 13.181 -6.676 19 1HB ASN 3 1HB ASN 3 9.239 15.595 -6.558 20 2HB ASN 3 2HB ASN 3 9.223 15.521 -4.799 21 1HD2 ASN 3 2HD2 ASN 3 10.918 16.953 -4.590 22 2HD2 ASN 3 1HD2 ASN 3 12.551 16.542 -4.990 23 H GLU 4 H GLU 4 8.363 13.425 -3.396 24 HA GLU 4 HA GLU 4 10.687 12.757 -1.992 25 1HB GLU 4 1HB GLU 4 7.799 12.236 -1.250 26 2HB GLU 4 2HB GLU 4 9.154 12.028 -0.151 27 1HG GLU 4 1HG GLU 4 8.465 14.114 0.457 28 2HG GLU 4 2HG GLU 4 9.646 14.535 -0.778 29 H LEU 5 H LEU 5 8.555 10.768 -3.849 30 HA LEU 5 HA LEU 5 9.804 8.324 -2.814 31 1HB LEU 5 1HB LEU 5 7.299 8.495 -3.222 32 2HB LEU 5 2HB LEU 5 7.662 8.532 -4.937 33 HG LEU 5 HG LEU 5 8.755 6.296 -4.712 34 1HD1 LEU 5 1HD1 LEU 5 7.629 6.391 -1.911 35 2HD1 LEU 5 2HD1 LEU 5 9.337 6.410 -2.349 36 3HD1 LEU 5 3HD1 LEU 5 8.358 4.984 -2.686 37 1HD2 LEU 5 1HD2 LEU 5 6.700 5.010 -4.534 38 2HD2 LEU 5 2HD2 LEU 5 6.423 6.489 -5.452 39 3HD2 LEU 5 3HD2 LEU 5 5.884 6.380 -3.777 40 H GLU 6 H GLU 6 9.642 10.380 -5.640 41 HA GLU 6 HA GLU 6 11.017 8.615 -7.432 42 1HB GLU 6 1HB GLU 6 9.441 10.407 -8.165 43 2HB GLU 6 2HB GLU 6 10.599 11.614 -7.626 44 1HG GLU 6 1HG GLU 6 12.229 10.724 -9.271 45 2HG GLU 6 2HG GLU 6 10.990 9.610 -9.847 46 H ALA 7 H ALA 7 12.027 10.476 -4.852 47 HA ALA 7 HA ALA 7 14.281 11.810 -5.402 48 1HB ALA 7 1HB ALA 7 14.000 9.901 -3.083 49 2HB ALA 7 2HB ALA 7 13.342 11.536 -3.157 50 3HB ALA 7 3HB ALA 7 15.087 11.288 -3.174 51 H GLN 8 H GLN 8 14.174 8.249 -5.164 52 HA GLN 8 HA GLN 8 17.025 8.129 -5.809 53 1HB GLN 8 1HB GLN 8 15.117 5.847 -5.229 54 2HB GLN 8 2HB GLN 8 16.865 5.735 -5.359 55 1HG GLN 8 1HG GLN 8 16.632 5.779 -3.088 56 2HG GLN 8 2HG GLN 8 16.813 7.500 -3.409 57 1HE2 GLN 8 2HE2 GLN 8 15.617 6.348 -1.117 58 2HE2 GLN 8 1HE2 GLN 8 13.961 6.843 -1.081 59 H THR 9 H THR 9 17.844 7.098 -7.675 60 HA THR 9 HA THR 9 16.047 7.610 -9.924 61 HB THR 9 HB THR 9 19.059 7.270 -9.970 62 HG1 THR 9 HG1 THR 9 17.536 9.326 -9.053 63 1HG2 THR 9 1HG2 THR 9 17.992 6.978 -12.161 64 2HG2 THR 9 2HG2 THR 9 18.918 8.478 -12.105 65 3HG2 THR 9 3HG2 THR 9 17.160 8.523 -11.969 66 H ARG 10 H ARG 10 15.637 6.252 -11.546 67 HA ARG 10 HA ARG 10 15.394 4.398 -12.802 68 1HB ARG 10 1HB ARG 10 17.801 4.856 -13.160 69 2HB ARG 10 2HB ARG 10 18.191 3.777 -11.832 70 1HG ARG 10 1HG ARG 10 17.204 1.900 -13.089 71 2HG ARG 10 2HG ARG 10 16.869 2.996 -14.431 72 1HD ARG 10 1HD ARG 10 18.953 1.647 -14.708 73 2HD ARG 10 2HD ARG 10 19.207 3.392 -14.781 74 HE ARG 10 HE ARG 10 20.235 3.318 -12.662 75 1HH1 ARG 10 1HH1 ARG 10 19.310 0.137 -13.796 76 2HH1 ARG 10 2HH1 ARG 10 20.358 -0.692 -12.689 77 1HH2 ARG 10 1HH2 ARG 10 21.598 2.221 -11.199 78 2HH2 ARG 10 2HH2 ARG 10 21.664 0.484 -11.228 79 H VAL 11 H VAL 11 15.462 4.132 -9.523 80 HA VAL 11 HA VAL 11 14.622 1.319 -9.688 81 HB VAL 11 HB VAL 11 16.398 1.613 -8.048 82 1HG1 VAL 11 1HG1 VAL 11 16.139 3.022 -6.067 83 2HG1 VAL 11 2HG1 VAL 11 14.594 3.612 -6.682 84 3HG1 VAL 11 3HG1 VAL 11 16.087 3.985 -7.545 85 1HG2 VAL 11 1HG2 VAL 11 13.720 1.181 -6.714 86 2HG2 VAL 11 2HG2 VAL 11 15.283 0.680 -6.069 87 3HG2 VAL 11 3HG2 VAL 11 14.672 -0.041 -7.557 88 H LYS 12 H LYS 12 13.772 4.512 -8.417 89 HA LYS 12 HA LYS 12 11.195 3.574 -7.486 90 1HB LYS 12 1HB LYS 12 12.205 6.422 -7.643 91 2HB LYS 12 2HB LYS 12 10.881 5.816 -6.653 92 1HG LYS 12 1HG LYS 12 13.785 5.068 -6.342 93 2HG LYS 12 2HG LYS 12 12.915 6.234 -5.346 94 1HD LYS 12 1HD LYS 12 12.009 3.369 -5.603 95 2HD LYS 12 2HD LYS 12 13.216 3.863 -4.416 96 1HE LYS 12 1HE LYS 12 10.433 5.011 -4.645 97 2HE LYS 12 2HE LYS 12 10.935 3.787 -3.479 98 1HZ LYS 12 1HZ LYS 12 12.551 5.381 -2.598 99 2HZ LYS 12 2HZ LYS 12 10.968 5.950 -2.462 100 3HZ LYS 12 3HZ LYS 12 11.984 6.562 -3.671 101 H LEU 13 H LEU 13 12.512 5.296 -10.220 102 HA LEU 13 HA LEU 13 10.160 6.448 -11.212 103 1HB LEU 13 1HB LEU 13 12.702 5.587 -12.585 104 2HB LEU 13 2HB LEU 13 11.387 6.351 -13.453 105 HG LEU 13 HG LEU 13 11.606 8.326 -11.898 106 1HD1 LEU 13 1HD1 LEU 13 14.159 6.946 -11.065 107 2HD1 LEU 13 2HD1 LEU 13 12.744 7.220 -10.046 108 3HD1 LEU 13 3HD1 LEU 13 13.680 8.590 -10.642 109 1HD2 LEU 13 1HD2 LEU 13 14.031 7.626 -13.556 110 2HD2 LEU 13 2HD2 LEU 13 13.571 9.244 -13.025 111 3HD2 LEU 13 3HD2 LEU 13 12.541 8.359 -14.149 112 H ASN 14 H ASN 14 11.568 3.237 -11.748 113 HA ASN 14 HA ASN 14 9.710 2.370 -13.696 114 1HB ASN 14 1HB ASN 14 11.819 1.156 -13.222 115 2HB ASN 14 2HB ASN 14 11.197 0.703 -11.637 116 1HD2 ASN 14 2HD2 ASN 14 11.319 -1.499 -12.058 117 2HD2 ASN 14 1HD2 ASN 14 10.252 -2.299 -13.161 118 H TYR 15 H TYR 15 9.799 1.987 -10.172 119 HA TYR 15 HA TYR 15 7.394 0.631 -9.827 120 1HB TYR 15 1HB TYR 15 9.013 0.932 -8.003 121 2HB TYR 15 2HB TYR 15 8.688 2.663 -7.980 122 HD1 TYR 15 HD2 TYR 15 7.194 -0.670 -7.311 123 HD2 TYR 15 HD1 TYR 15 6.831 3.541 -6.758 124 HE1 TYR 15 HE2 TYR 15 5.382 -1.039 -5.692 125 HE2 TYR 15 HE1 TYR 15 5.021 3.176 -5.137 126 HH TYR 15 HH TYR 15 3.315 1.357 -4.663 127 H LEU 16 H LEU 16 8.040 4.117 -9.920 128 HA LEU 16 HA LEU 16 5.434 5.024 -9.453 129 1HB LEU 16 1HB LEU 16 7.672 6.272 -11.055 130 2HB LEU 16 2HB LEU 16 6.186 7.105 -10.637 131 HG LEU 16 HG LEU 16 8.250 6.079 -8.679 132 1HD1 LEU 16 1HD1 LEU 16 9.024 8.028 -9.902 133 2HD1 LEU 16 2HD1 LEU 16 8.659 8.454 -8.231 134 3HD1 LEU 16 3HD1 LEU 16 7.532 8.887 -9.516 135 1HD2 LEU 16 1HD2 LEU 16 6.016 5.940 -7.728 136 2HD2 LEU 16 2HD2 LEU 16 5.695 7.612 -8.190 137 3HD2 LEU 16 3HD2 LEU 16 6.925 7.253 -6.979 138 H ASP 17 H ASP 17 7.129 4.255 -12.452 139 HA ASP 17 HA ASP 17 5.239 5.065 -14.301 140 1HB ASP 17 1HB ASP 17 7.471 4.349 -14.962 141 2HB ASP 17 2HB ASP 17 7.138 2.704 -14.431 142 H GLN 18 H GLN 18 5.610 1.809 -12.871 143 HA GLN 18 HA GLN 18 3.238 0.865 -14.160 144 1HB GLN 18 1HB GLN 18 3.571 -1.169 -12.676 145 2HB GLN 18 2HB GLN 18 4.860 -0.781 -13.798 146 1HG GLN 18 1HG GLN 18 6.235 -1.044 -12.067 147 2HG GLN 18 2HG GLN 18 5.663 0.529 -11.521 148 1HE2 GLN 18 2HE2 GLN 18 4.317 0.636 -9.741 149 2HE2 GLN 18 1HE2 GLN 18 3.972 -0.725 -8.737 150 H ILE 19 H ILE 19 3.917 2.035 -10.884 151 HA ILE 19 HA ILE 19 1.448 1.123 -9.759 152 HB ILE 19 HB ILE 19 3.586 1.716 -8.459 153 1HG1 ILE 19 1HG1 ILE 19 2.262 2.611 -6.483 154 2HG1 ILE 19 2HG1 ILE 19 0.872 2.711 -7.557 155 1HG2 ILE 19 1HG2 ILE 19 3.968 3.927 -9.420 156 2HG2 ILE 19 2HG2 ILE 19 3.801 4.020 -7.667 157 3HG2 ILE 19 3HG2 ILE 19 2.465 4.510 -8.707 158 1HD1 ILE 19 1HD1 ILE 19 0.991 0.300 -7.928 159 2HD1 ILE 19 2HD1 ILE 19 0.806 0.693 -6.220 160 3HD1 ILE 19 3HD1 ILE 19 2.381 0.206 -6.845 161 H ALA 20 H ALA 20 2.448 3.968 -11.475 162 HA ALA 20 HA ALA 20 0.042 5.445 -10.812 163 1HB ALA 20 1HB ALA 20 0.947 7.182 -12.272 164 2HB ALA 20 2HB ALA 20 2.240 6.096 -12.782 165 3HB ALA 20 3HB ALA 20 2.161 6.647 -11.108 166 H LYS 21 H LYS 21 1.500 3.979 -13.720 167 HA LYS 21 HA LYS 21 -0.518 4.774 -15.487 168 1HB LYS 21 1HB LYS 21 1.733 4.021 -16.192 169 2HB LYS 21 2HB LYS 21 1.317 2.377 -15.733 170 1HG LYS 21 1HG LYS 21 1.122 2.621 -18.120 171 2HG LYS 21 2HG LYS 21 -0.484 2.384 -17.426 172 1HD LYS 21 1HD LYS 21 -0.855 4.832 -17.524 173 2HD LYS 21 2HD LYS 21 0.727 5.023 -18.285 174 1HE LYS 21 1HE LYS 21 -1.613 3.468 -19.401 175 2HE LYS 21 2HE LYS 21 -1.061 5.050 -19.950 176 1HZ LYS 21 1HZ LYS 21 0.512 2.534 -20.081 177 2HZ LYS 21 2HZ LYS 21 1.033 4.049 -20.622 178 3HZ LYS 21 3HZ LYS 21 -0.267 3.279 -21.384 179 H PHE 22 H PHE 22 -0.113 1.630 -13.795 180 HA PHE 22 HA PHE 22 -2.284 0.351 -15.023 181 1HB PHE 22 1HB PHE 22 -0.786 -1.002 -13.744 182 2HB PHE 22 2HB PHE 22 -1.049 -0.043 -12.291 183 HD1 PHE 22 HD1 PHE 22 -2.757 -2.369 -14.648 184 HD2 PHE 22 HD2 PHE 22 -2.711 -0.633 -10.758 185 HE1 PHE 22 HE1 PHE 22 -4.547 -3.903 -13.939 186 HE2 PHE 22 HE2 PHE 22 -4.496 -2.163 -10.042 187 HZ PHE 22 HZ PHE 22 -5.419 -3.801 -11.636 188 H TRP 23 H TRP 23 -2.183 2.050 -11.922 189 HA TRP 23 HA TRP 23 -4.947 1.721 -11.394 190 1HB TRP 23 1HB TRP 23 -3.272 1.935 -9.624 191 2HB TRP 23 2HB TRP 23 -2.899 3.570 -10.153 192 HD1 TRP 23 HD1 TRP 23 -3.850 5.220 -8.508 193 HE1 TRP 23 HE1 TRP 23 -6.016 5.467 -7.151 194 HE3 TRP 23 HE3 TRP 23 -6.136 0.854 -9.843 195 HZ2 TRP 23 HZ2 TRP 23 -8.374 3.986 -6.676 196 HZ3 TRP 23 HZ3 TRP 23 -8.345 0.343 -8.896 197 HH2 TRP 23 HH2 TRP 23 -9.441 1.873 -7.339 198 H GLU 24 H GLU 24 -3.078 4.176 -13.036 199 HA GLU 24 HA GLU 24 -5.028 6.254 -12.912 200 1HB GLU 24 1HB GLU 24 -2.619 6.638 -13.403 201 2HB GLU 24 2HB GLU 24 -2.813 5.810 -14.940 202 1HG GLU 24 1HG GLU 24 -4.377 7.551 -15.671 203 2HG GLU 24 2HG GLU 24 -4.166 8.380 -14.128 204 H ILE 25 H ILE 25 -4.557 3.453 -14.888 205 HA ILE 25 HA ILE 25 -6.542 4.294 -16.864 206 HB ILE 25 HB ILE 25 -4.857 1.780 -16.695 207 1HG1 ILE 25 1HG1 ILE 25 -3.509 3.763 -17.139 208 2HG1 ILE 25 2HG1 ILE 25 -3.616 2.783 -18.596 209 1HG2 ILE 25 1HG2 ILE 25 -6.921 1.308 -17.882 210 2HG2 ILE 25 2HG2 ILE 25 -5.569 1.349 -19.013 211 3HG2 ILE 25 3HG2 ILE 25 -6.679 2.717 -18.916 212 1HD1 ILE 25 1HD1 ILE 25 -5.192 5.285 -18.021 213 2HD1 ILE 25 2HD1 ILE 25 -5.322 4.299 -19.480 214 3HD1 ILE 25 3HD1 ILE 25 -3.813 5.138 -19.113 215 H GLN 26 H GLN 26 -6.404 2.645 -13.913 216 HA GLN 26 HA GLN 26 -8.594 0.822 -14.392 217 1HB GLN 26 1HB GLN 26 -6.559 0.996 -12.507 218 2HB GLN 26 2HB GLN 26 -7.984 1.439 -11.581 219 1HG GLN 26 1HG GLN 26 -7.750 -1.073 -13.234 220 2HG GLN 26 2HG GLN 26 -7.400 -0.982 -11.510 221 1HE2 GLN 26 2HE2 GLN 26 -9.429 -2.498 -13.042 222 2HE2 GLN 26 1HE2 GLN 26 -10.947 -2.091 -12.319 223 H GLY 27 H GLY 27 -9.324 3.412 -15.125 224 1HA GLY 27 1HA GLY 27 -10.997 4.960 -14.900 225 2HA GLY 27 2HA GLY 27 -11.820 3.735 -13.947 226 H SER 28 H SER 28 -8.737 5.029 -12.982 227 HA SER 28 HA SER 28 -9.948 6.718 -10.941 228 1HB SER 28 1HB SER 28 -8.158 4.372 -10.219 229 2HB SER 28 2HB SER 28 -8.905 5.512 -9.098 230 HG SER 28 HG SER 28 -10.119 3.494 -10.660 231 H SER 29 H SER 29 -7.885 7.360 -9.400 232 HA SER 29 HA SER 29 -5.550 7.847 -11.112 233 1HB SER 29 1HB SER 29 -5.449 10.201 -10.278 234 2HB SER 29 2HB SER 29 -6.864 9.884 -11.279 235 HG SER 29 HG SER 29 -8.151 9.971 -9.538 236 H LEU 30 H LEU 30 -3.591 8.025 -10.000 237 HA LEU 30 HA LEU 30 -3.511 6.575 -7.543 238 1HB LEU 30 1HB LEU 30 -1.781 6.343 -9.282 239 2HB LEU 30 2HB LEU 30 -1.294 8.007 -9.014 240 HG LEU 30 HG LEU 30 -0.591 7.440 -6.720 241 1HD1 LEU 30 1HD1 LEU 30 -1.318 4.606 -7.471 242 2HD1 LEU 30 2HD1 LEU 30 -2.149 5.611 -6.283 243 3HD1 LEU 30 3HD1 LEU 30 -0.484 5.107 -5.998 244 1HD2 LEU 30 1HD2 LEU 30 1.362 6.092 -7.320 245 2HD2 LEU 30 2HD2 LEU 30 1.032 7.331 -8.532 246 3HD2 LEU 30 3HD2 LEU 30 0.588 5.651 -8.843 247 H LYS 31 H LYS 31 -3.863 7.408 -5.614 248 HA LYS 31 HA LYS 31 -3.017 10.180 -5.086 249 1HB LYS 31 1HB LYS 31 -5.486 9.950 -5.141 250 2HB LYS 31 2HB LYS 31 -5.388 8.732 -3.878 251 1HG LYS 31 1HG LYS 31 -5.950 10.602 -2.665 252 2HG LYS 31 2HG LYS 31 -4.197 10.616 -2.517 253 1HD LYS 31 1HD LYS 31 -5.778 12.233 -4.527 254 2HD LYS 31 2HD LYS 31 -5.173 12.852 -2.993 255 1HE LYS 31 1HE LYS 31 -2.869 12.383 -3.734 256 2HE LYS 31 2HE LYS 31 -3.494 11.806 -5.279 257 1HZ LYS 31 1HZ LYS 31 -4.505 14.058 -5.546 258 2HZ LYS 31 2HZ LYS 31 -2.818 14.027 -5.590 259 3HZ LYS 31 3HZ LYS 31 -3.614 14.561 -4.196 260 H ILE 32 H ILE 32 -1.050 9.690 -4.208 261 HA ILE 32 HA ILE 32 -1.150 8.317 -1.602 262 HB ILE 32 HB ILE 32 1.322 7.831 -1.956 263 1HG1 ILE 32 1HG1 ILE 32 0.598 8.427 -4.845 264 2HG1 ILE 32 2HG1 ILE 32 1.714 9.358 -3.852 265 1HG2 ILE 32 1HG2 ILE 32 -0.661 6.445 -3.766 266 2HG2 ILE 32 2HG2 ILE 32 -0.389 6.095 -2.059 267 3HG2 ILE 32 3HG2 ILE 32 0.887 5.786 -3.236 268 1HD1 ILE 32 1HD1 ILE 32 2.079 6.503 -4.735 269 2HD1 ILE 32 2HD1 ILE 32 3.196 7.414 -3.717 270 3HD1 ILE 32 3HD1 ILE 32 2.909 7.917 -5.383 271 HA PRO 33 HA PRO 33 -0.163 12.765 -0.883 272 1HB PRO 33 1HB PRO 33 -1.509 12.131 1.686 273 2HB PRO 33 2HB PRO 33 -1.829 13.442 0.541 274 1HG PRO 33 1HG PRO 33 -3.517 11.386 0.783 275 2HG PRO 33 2HG PRO 33 -3.180 12.110 -0.804 276 1HD PRO 33 1HD PRO 33 -2.060 9.594 0.405 277 2HD PRO 33 2HD PRO 33 -2.669 9.876 -1.241 278 H ASN 34 H ASN 34 0.983 13.776 0.987 279 HA ASN 34 HA ASN 34 2.747 11.840 2.307 280 1HB ASN 34 1HB ASN 34 4.263 13.850 2.682 281 2HB ASN 34 2HB ASN 34 4.117 13.276 1.032 282 1HD2 ASN 34 2HD2 ASN 34 4.789 15.243 0.209 283 2HD2 ASN 34 1HD2 ASN 34 3.769 16.640 0.207 284 H VAL 35 H VAL 35 2.884 11.718 4.376 285 HA VAL 35 HA VAL 35 1.310 13.565 6.036 286 HB VAL 35 HB VAL 35 0.120 11.415 5.828 287 1HG1 VAL 35 1HG1 VAL 35 2.036 9.975 5.348 288 2HG1 VAL 35 2HG1 VAL 35 1.075 9.337 6.683 289 3HG1 VAL 35 3HG1 VAL 35 2.601 10.161 7.008 290 1HG2 VAL 35 1HG2 VAL 35 -0.097 12.626 7.926 291 2HG2 VAL 35 2HG2 VAL 35 1.339 11.823 8.562 292 3HG2 VAL 35 3HG2 VAL 35 -0.116 10.887 8.221 293 H GLU 36 H GLU 36 2.315 14.249 7.926 294 HA GLU 36 HA GLU 36 4.045 14.733 9.336 295 1HB GLU 36 1HB GLU 36 4.942 11.900 8.740 296 2HB GLU 36 2HB GLU 36 5.516 12.910 10.058 297 1HG GLU 36 1HG GLU 36 2.750 11.775 9.697 298 2HG GLU 36 2HG GLU 36 3.931 11.342 10.927 299 H ARG 37 H ARG 37 4.164 15.037 6.432 300 HA ARG 37 HA ARG 37 5.453 16.010 4.884 301 1HB ARG 37 1HB ARG 37 7.339 17.245 5.436 302 2HB ARG 37 2HB ARG 37 6.456 17.178 6.949 303 1HG ARG 37 1HG ARG 37 8.190 14.978 7.023 304 2HG ARG 37 2HG ARG 37 9.139 16.297 6.339 305 1HD ARG 37 1HD ARG 37 7.572 16.389 8.924 306 2HD ARG 37 2HD ARG 37 9.327 16.232 8.779 307 HE ARG 37 HE ARG 37 8.724 18.515 7.397 308 1HH1 ARG 37 1HH1 ARG 37 8.208 17.402 10.680 309 2HH1 ARG 37 2HH1 ARG 37 8.221 19.002 11.352 310 1HH2 ARG 37 1HH2 ARG 37 8.735 20.606 8.278 311 2HH2 ARG 37 2HH2 ARG 37 8.515 20.826 9.983 312 H ARG 38 H ARG 38 5.636 13.032 5.738 313 HA ARG 38 HA ARG 38 7.706 12.370 3.738 314 1HB ARG 38 1HB ARG 38 8.301 11.364 5.857 315 2HB ARG 38 2HB ARG 38 6.669 10.747 6.080 316 1HG ARG 38 1HG ARG 38 8.191 8.967 5.427 317 2HG ARG 38 2HG ARG 38 6.969 9.233 4.184 318 1HD ARG 38 1HD ARG 38 8.701 10.728 3.038 319 2HD ARG 38 2HD ARG 38 9.875 10.020 4.149 320 HE ARG 38 HE ARG 38 8.376 7.999 2.821 321 1HH1 ARG 38 1HH1 ARG 38 11.041 10.236 2.336 322 2HH1 ARG 38 2HH1 ARG 38 11.761 9.293 1.072 323 1HH2 ARG 38 1HH2 ARG 38 9.301 6.794 1.146 324 2HH2 ARG 38 2HH2 ARG 38 10.762 7.345 0.385 325 H ILE 39 H ILE 39 7.037 11.248 1.938 326 HA ILE 39 HA ILE 39 4.282 11.175 1.319 327 HB ILE 39 HB ILE 39 5.972 11.335 -0.453 328 1HG1 ILE 39 1HG1 ILE 39 4.234 8.852 -0.625 329 2HG1 ILE 39 2HG1 ILE 39 3.762 10.489 -1.059 330 1HG2 ILE 39 1HG2 ILE 39 7.312 9.399 -1.123 331 2HG2 ILE 39 2HG2 ILE 39 6.674 8.476 0.239 332 3HG2 ILE 39 3HG2 ILE 39 7.686 9.891 0.529 333 1HD1 ILE 39 1HD1 ILE 39 5.837 8.813 -2.451 334 2HD1 ILE 39 2HD1 ILE 39 5.389 10.462 -2.883 335 3HD1 ILE 39 3HD1 ILE 39 4.207 9.163 -3.026 336 H LEU 40 H LEU 40 2.839 9.460 1.181 337 HA LEU 40 HA LEU 40 3.155 7.346 3.051 338 1HB LEU 40 1HB LEU 40 0.979 8.428 2.242 339 2HB LEU 40 2HB LEU 40 1.145 7.450 0.795 340 HG LEU 40 HG LEU 40 1.092 5.403 2.225 341 1HD1 LEU 40 1HD1 LEU 40 0.447 7.374 4.422 342 2HD1 LEU 40 2HD1 LEU 40 1.890 6.366 4.307 343 3HD1 LEU 40 3HD1 LEU 40 0.313 5.619 4.547 344 1HD2 LEU 40 1HD2 LEU 40 -0.931 6.203 1.113 345 2HD2 LEU 40 2HD2 LEU 40 -1.293 7.241 2.493 346 3HD2 LEU 40 3HD2 LEU 40 -1.312 5.487 2.679 347 H ASP 41 H ASP 41 4.729 5.888 2.669 348 HA ASP 41 HA ASP 41 5.618 5.221 0.049 349 1HB ASP 41 1HB ASP 41 6.305 4.209 2.798 350 2HB ASP 41 2HB ASP 41 6.904 3.369 1.374 351 H LEU 42 H LEU 42 3.731 4.467 -0.971 352 HA LEU 42 HA LEU 42 2.280 2.173 -0.273 353 1HB LEU 42 1HB LEU 42 2.002 3.942 -2.216 354 2HB LEU 42 2HB LEU 42 2.961 2.803 -3.138 355 HG LEU 42 HG LEU 42 0.302 2.159 -1.833 356 1HD1 LEU 42 1HD1 LEU 42 0.030 3.769 -3.643 357 2HD1 LEU 42 2HD1 LEU 42 -0.612 2.194 -4.104 358 3HD1 LEU 42 3HD1 LEU 42 0.949 2.726 -4.729 359 1HD2 LEU 42 1HD2 LEU 42 1.993 0.556 -3.760 360 2HD2 LEU 42 2HD2 LEU 42 0.370 0.128 -3.220 361 3HD2 LEU 42 3HD2 LEU 42 1.698 0.179 -2.062 362 H TYR 43 H TYR 43 5.374 2.631 -1.823 363 HA TYR 43 HA TYR 43 5.956 0.082 -2.766 364 1HB TYR 43 1HB TYR 43 7.268 2.396 -2.827 365 2HB TYR 43 2HB TYR 43 8.089 1.726 -1.427 366 HD1 TYR 43 HD1 TYR 43 8.106 -1.202 -2.411 367 HD2 TYR 43 HD2 TYR 43 9.105 2.482 -4.306 368 HE1 TYR 43 HE1 TYR 43 9.648 -2.390 -3.913 369 HE2 TYR 43 HE2 TYR 43 10.637 1.304 -5.809 370 HH TYR 43 HH TYR 43 10.717 -2.124 -6.048 371 H SER 44 H SER 44 7.130 1.470 0.305 372 HA SER 44 HA SER 44 7.950 -0.925 1.465 373 1HB SER 44 1HB SER 44 6.950 1.547 2.912 374 2HB SER 44 2HB SER 44 8.021 0.308 3.568 375 HG SER 44 HG SER 44 9.166 2.158 2.844 376 H LEU 45 H LEU 45 4.843 0.728 1.569 377 HA LEU 45 HA LEU 45 3.506 -0.760 3.474 378 1HB LEU 45 1HB LEU 45 2.471 1.183 2.536 379 2HB LEU 45 2HB LEU 45 2.536 0.515 0.916 380 HG LEU 45 HG LEU 45 0.861 -1.191 1.571 381 1HD1 LEU 45 1HD1 LEU 45 -0.385 -0.907 3.668 382 2HD1 LEU 45 2HD1 LEU 45 0.762 0.335 4.170 383 3HD1 LEU 45 3HD1 LEU 45 1.305 -1.328 3.945 384 1HD2 LEU 45 1HD2 LEU 45 -1.060 0.329 1.652 385 2HD2 LEU 45 2HD2 LEU 45 0.143 0.863 0.480 386 3HD2 LEU 45 3HD2 LEU 45 0.017 1.670 2.044 387 H SER 46 H SER 46 3.782 -1.409 -0.014 388 HA SER 46 HA SER 46 2.097 -3.695 0.082 389 1HB SER 46 1HB SER 46 2.991 -4.081 -2.264 390 2HB SER 46 2HB SER 46 2.229 -2.514 -1.991 391 HG SER 46 HG SER 46 4.196 -1.542 -1.980 392 H LYS 47 H LYS 47 5.624 -3.236 -0.051 393 HA LYS 47 HA LYS 47 6.236 -5.995 -0.189 394 1HB LYS 47 1HB LYS 47 8.489 -5.400 0.188 395 2HB LYS 47 2HB LYS 47 7.796 -4.053 -0.696 396 1HG LYS 47 1HG LYS 47 8.864 -2.833 0.870 397 2HG LYS 47 2HG LYS 47 7.414 -3.172 1.814 398 1HD LYS 47 1HD LYS 47 9.314 -3.603 3.209 399 2HD LYS 47 2HD LYS 47 8.594 -5.155 2.789 400 1HE LYS 47 1HE LYS 47 10.975 -3.959 1.364 401 2HE LYS 47 2HE LYS 47 11.103 -5.089 2.708 402 1HZ LYS 47 1HZ LYS 47 9.954 -5.605 0.022 403 2HZ LYS 47 2HZ LYS 47 9.768 -6.664 1.323 404 3HZ LYS 47 3HZ LYS 47 11.310 -6.327 0.725 405 H ILE 48 H ILE 48 5.578 -3.825 2.501 406 HA ILE 48 HA ILE 48 6.380 -5.648 4.542 407 HB ILE 48 HB ILE 48 4.621 -3.192 4.620 408 1HG1 ILE 48 1HG1 ILE 48 7.397 -3.769 5.704 409 2HG1 ILE 48 2HG1 ILE 48 7.025 -2.816 4.271 410 1HG2 ILE 48 1HG2 ILE 48 5.445 -4.931 6.953 411 2HG2 ILE 48 2HG2 ILE 48 3.804 -4.693 6.350 412 3HG2 ILE 48 3HG2 ILE 48 4.676 -3.347 7.081 413 1HD1 ILE 48 1HD1 ILE 48 5.874 -1.176 5.675 414 2HD1 ILE 48 2HD1 ILE 48 7.561 -1.387 6.141 415 3HD1 ILE 48 3HD1 ILE 48 6.283 -2.126 7.105 416 H VAL 49 H VAL 49 3.301 -4.925 2.941 417 HA VAL 49 HA VAL 49 1.613 -6.563 4.446 418 HB VAL 49 HB VAL 49 1.517 -5.961 1.470 419 1HG1 VAL 49 1HG1 VAL 49 -0.841 -6.666 1.561 420 2HG1 VAL 49 2HG1 VAL 49 -0.615 -7.186 3.231 421 3HG1 VAL 49 3HG1 VAL 49 0.254 -7.999 1.930 422 1HG2 VAL 49 1HG2 VAL 49 -0.207 -4.335 2.094 423 2HG2 VAL 49 2HG2 VAL 49 1.315 -3.987 2.911 424 3HG2 VAL 49 3HG2 VAL 49 -0.002 -4.758 3.794 425 H VAL 50 H VAL 50 3.625 -7.322 1.622 426 HA VAL 50 HA VAL 50 3.037 -10.063 1.437 427 HB VAL 50 HB VAL 50 5.634 -8.660 0.737 428 1HG1 VAL 50 1HG1 VAL 50 4.560 -11.341 -0.161 429 2HG1 VAL 50 2HG1 VAL 50 5.952 -11.067 0.888 430 3HG1 VAL 50 3HG1 VAL 50 6.004 -10.552 -0.797 431 1HG2 VAL 50 1HG2 VAL 50 3.217 -9.267 -0.977 432 2HG2 VAL 50 2HG2 VAL 50 4.732 -8.566 -1.547 433 3HG2 VAL 50 3HG2 VAL 50 3.719 -7.673 -0.412 434 H GLU 51 H GLU 51 5.658 -8.375 3.161 435 HA GLU 51 HA GLU 51 6.882 -10.662 4.237 436 1HB GLU 51 1HB GLU 51 7.073 -7.757 4.628 437 2HB GLU 51 2HB GLU 51 7.437 -8.675 6.081 438 1HG GLU 51 1HG GLU 51 9.463 -8.211 4.856 439 2HG GLU 51 2HG GLU 51 9.139 -9.942 4.864 440 H GLU 52 H GLU 52 4.079 -8.864 5.297 441 HA GLU 52 HA GLU 52 4.105 -9.962 7.960 442 1HB GLU 52 1HB GLU 52 3.071 -7.728 7.211 443 2HB GLU 52 2HB GLU 52 1.725 -8.688 6.615 444 1HG GLU 52 1HG GLU 52 1.210 -7.824 8.804 445 2HG GLU 52 2HG GLU 52 1.372 -9.578 8.880 446 H GLY 53 H GLY 53 2.649 -10.780 4.873 447 1HA GLY 53 1HA GLY 53 2.472 -13.162 4.445 448 2HA GLY 53 2HA GLY 53 1.887 -13.370 6.084 449 H GLY 54 H GLY 54 0.224 -10.735 5.282 450 1HA GLY 54 1HA GLY 54 -1.558 -11.426 3.264 451 2HA GLY 54 2HA GLY 54 -2.178 -12.151 4.739 452 H TYR 55 H TYR 55 -2.810 -9.743 2.845 453 HA TYR 55 HA TYR 55 -2.705 -7.360 4.305 454 1HB TYR 55 1HB TYR 55 -3.184 -7.198 1.993 455 2HB TYR 55 2HB TYR 55 -4.507 -8.354 2.097 456 HD1 TYR 55 HD2 TYR 55 -3.577 -5.033 3.574 457 HD2 TYR 55 HD1 TYR 55 -6.639 -7.492 1.944 458 HE1 TYR 55 HE2 TYR 55 -5.187 -3.191 3.831 459 HE2 TYR 55 HE1 TYR 55 -8.250 -5.658 2.199 460 HH TYR 55 HH TYR 55 -8.533 -3.647 3.581 461 H GLU 56 H GLU 56 -5.335 -9.739 4.039 462 HA GLU 56 HA GLU 56 -7.166 -8.357 5.673 463 1HB GLU 56 1HB GLU 56 -7.653 -10.232 4.031 464 2HB GLU 56 2HB GLU 56 -7.059 -11.355 5.243 465 1HG GLU 56 1HG GLU 56 -9.275 -9.453 5.913 466 2HG GLU 56 2HG GLU 56 -9.613 -10.915 4.995 467 H ALA 57 H ALA 57 -4.575 -10.612 6.385 468 HA ALA 57 HA ALA 57 -5.245 -11.135 9.088 469 1HB ALA 57 1HB ALA 57 -2.926 -11.895 9.314 470 2HB ALA 57 2HB ALA 57 -2.531 -11.167 7.756 471 3HB ALA 57 3HB ALA 57 -3.658 -12.520 7.835 472 H ILE 58 H ILE 58 -3.162 -8.712 7.543 473 HA ILE 58 HA ILE 58 -2.242 -7.453 9.897 474 HB ILE 58 HB ILE 58 -2.726 -6.052 7.260 475 1HG1 ILE 58 1HG1 ILE 58 -0.272 -7.619 8.094 476 2HG1 ILE 58 2HG1 ILE 58 -1.452 -8.153 6.904 477 1HG2 ILE 58 1HG2 ILE 58 -2.163 -4.598 9.145 478 2HG2 ILE 58 2HG2 ILE 58 -0.862 -4.631 7.954 479 3HG2 ILE 58 3HG2 ILE 58 -0.711 -5.551 9.451 480 1HD1 ILE 58 1HD1 ILE 58 -0.883 -6.253 5.485 481 2HD1 ILE 58 2HD1 ILE 58 0.526 -7.254 5.837 482 3HD1 ILE 58 3HD1 ILE 58 0.304 -5.721 6.678 483 H CYS 59 H CYS 59 -5.029 -6.890 7.811 484 HA CYS 59 HA CYS 59 -5.986 -4.576 9.123 485 1HB CYS 59 1HB CYS 59 -6.621 -5.325 6.808 486 2HB CYS 59 2HB CYS 59 -7.595 -6.596 7.537 487 HG CYS 59 HG CYS 59 -9.202 -4.457 6.590 488 H LYS 60 H LYS 60 -6.627 -8.017 9.514 489 HA LYS 60 HA LYS 60 -8.781 -7.836 11.306 490 1HB LYS 60 1HB LYS 60 -7.979 -9.890 10.035 491 2HB LYS 60 2HB LYS 60 -6.718 -10.047 11.246 492 1HG LYS 60 1HG LYS 60 -8.175 -11.378 12.312 493 2HG LYS 60 2HG LYS 60 -8.956 -9.879 12.815 494 1HD LYS 60 1HD LYS 60 -9.671 -11.510 10.370 495 2HD LYS 60 2HD LYS 60 -10.563 -11.501 11.890 496 1HE LYS 60 1HE LYS 60 -11.241 -9.240 11.576 497 2HE LYS 60 2HE LYS 60 -10.114 -9.017 10.238 498 1HZ LYS 60 1HZ LYS 60 -12.346 -10.962 10.142 499 2HZ LYS 60 2HZ LYS 60 -11.397 -10.400 8.856 500 3HZ LYS 60 3HZ LYS 60 -12.504 -9.363 9.614 501 H ASP 61 H ASP 61 -5.295 -8.288 11.921 502 HA ASP 61 HA ASP 61 -5.718 -8.038 14.797 503 1HB ASP 61 1HB ASP 61 -4.178 -9.756 13.898 504 2HB ASP 61 2HB ASP 61 -3.162 -8.485 13.230 505 H ARG 62 H ARG 62 -5.414 -5.894 12.344 506 HA ARG 62 HA ARG 62 -4.980 -3.680 12.186 507 1HB ARG 62 1HB ARG 62 -5.079 -3.845 15.210 508 2HB ARG 62 2HB ARG 62 -4.952 -2.335 14.323 509 1HG ARG 62 1HG ARG 62 -7.211 -2.451 14.750 510 2HG ARG 62 2HG ARG 62 -7.117 -3.135 13.128 511 1HD ARG 62 1HD ARG 62 -8.578 -4.513 14.417 512 2HD ARG 62 2HD ARG 62 -7.077 -5.408 14.181 513 HE ARG 62 HE ARG 62 -7.067 -3.927 16.626 514 1HH1 ARG 62 1HH1 ARG 62 -8.178 -6.898 15.144 515 2HH1 ARG 62 2HH1 ARG 62 -8.335 -7.741 16.651 516 1HH2 ARG 62 1HH2 ARG 62 -7.293 -5.029 18.611 517 2HH2 ARG 62 2HH2 ARG 62 -7.864 -6.668 18.627 518 H ARG 63 H ARG 63 -2.783 -5.372 11.914 519 HA ARG 63 HA ARG 63 -0.585 -4.441 13.508 520 1HB ARG 63 1HB ARG 63 -0.616 -6.080 10.961 521 2HB ARG 63 2HB ARG 63 0.829 -5.736 11.906 522 1HG ARG 63 1HG ARG 63 -0.223 -6.869 13.844 523 2HG ARG 63 2HG ARG 63 -1.585 -7.298 12.808 524 1HD ARG 63 1HD ARG 63 -0.067 -8.560 11.346 525 2HD ARG 63 2HD ARG 63 1.291 -8.131 12.390 526 HE ARG 63 HE ARG 63 -0.747 -9.369 13.908 527 1HH1 ARG 63 1HH1 ARG 63 1.797 -10.123 11.600 528 2HH1 ARG 63 2HH1 ARG 63 1.927 -11.776 12.109 529 1HH2 ARG 63 1HH2 ARG 63 -0.537 -11.543 14.590 530 2HH2 ARG 63 2HH2 ARG 63 0.631 -12.571 13.820 531 H TRP 64 H TRP 64 -2.286 -2.957 11.096 532 HA TRP 64 HA TRP 64 -0.357 -1.670 9.544 533 1HB TRP 64 1HB TRP 64 -2.976 -0.538 10.576 534 2HB TRP 64 2HB TRP 64 -2.024 0.134 9.253 535 HD1 TRP 64 HD1 TRP 64 -4.933 -1.966 9.745 536 HE1 TRP 64 HE1 TRP 64 -5.407 -3.433 7.685 537 HE3 TRP 64 HE3 TRP 64 -0.455 -1.449 7.312 538 HZ2 TRP 64 HZ2 TRP 64 -4.065 -4.267 5.363 539 HZ3 TRP 64 HZ3 TRP 64 -0.139 -2.621 5.175 540 HH2 TRP 64 HH2 TRP 64 -1.910 -4.001 4.222 541 H ALA 65 H ALA 65 -1.216 -1.307 12.855 542 HA ALA 65 HA ALA 65 -0.096 1.165 13.478 543 1HB ALA 65 1HB ALA 65 -1.419 -0.131 15.060 544 2HB ALA 65 2HB ALA 65 0.156 0.257 15.750 545 3HB ALA 65 3HB ALA 65 -0.160 -1.364 15.130 546 H ARG 66 H ARG 66 1.443 -2.076 13.585 547 HA ARG 66 HA ARG 66 4.010 -1.092 14.244 548 1HB ARG 66 1HB ARG 66 4.841 -3.295 13.895 549 2HB ARG 66 2HB ARG 66 3.225 -3.482 14.554 550 1HG ARG 66 1HG ARG 66 2.356 -3.981 12.333 551 2HG ARG 66 2HG ARG 66 3.956 -3.735 11.635 552 1HD ARG 66 1HD ARG 66 3.135 -5.884 13.595 553 2HD ARG 66 2HD ARG 66 3.535 -6.102 11.891 554 HE ARG 66 HE ARG 66 5.553 -5.048 13.747 555 1HH1 ARG 66 1HH1 ARG 66 4.511 -7.554 11.521 556 2HH1 ARG 66 2HH1 ARG 66 6.038 -8.375 11.551 557 1HH2 ARG 66 1HH2 ARG 66 7.545 -6.089 13.763 558 2HH2 ARG 66 2HH2 ARG 66 7.783 -7.534 12.832 559 H VAL 67 H VAL 67 2.340 -1.551 11.218 560 HA VAL 67 HA VAL 67 4.571 -1.330 9.484 561 HB VAL 67 HB VAL 67 1.689 -0.555 8.934 562 1HG1 VAL 67 1HG1 VAL 67 3.935 -1.211 7.015 563 2HG1 VAL 67 2HG1 VAL 67 3.242 0.387 7.292 564 3HG1 VAL 67 3HG1 VAL 67 2.258 -0.886 6.570 565 1HG2 VAL 67 1HG2 VAL 67 3.115 -3.184 8.472 566 2HG2 VAL 67 2HG2 VAL 67 1.472 -2.802 7.958 567 3HG2 VAL 67 3HG2 VAL 67 1.862 -2.876 9.675 568 H ALA 68 H ALA 68 2.212 1.081 10.646 569 HA ALA 68 HA ALA 68 3.311 3.325 9.386 570 1HB ALA 68 1HB ALA 68 1.103 3.328 10.460 571 2HB ALA 68 2HB ALA 68 2.108 4.652 11.051 572 3HB ALA 68 3HB ALA 68 1.872 3.212 12.044 573 H GLN 69 H GLN 69 3.958 1.919 12.574 574 HA GLN 69 HA GLN 69 5.930 3.734 13.429 575 1HB GLN 69 1HB GLN 69 5.666 0.778 14.060 576 2HB GLN 69 2HB GLN 69 6.626 1.931 14.973 577 1HG GLN 69 1HG GLN 69 3.640 2.148 14.638 578 2HG GLN 69 2HG GLN 69 4.417 1.319 15.984 579 1HE2 GLN 69 2HE2 GLN 69 3.540 2.707 17.499 580 2HE2 GLN 69 1HE2 GLN 69 4.084 4.336 17.689 581 H ARG 70 H ARG 70 6.064 0.863 11.426 582 HA ARG 70 HA ARG 70 8.879 0.565 11.312 583 1HB ARG 70 1HB ARG 70 6.950 -1.084 10.707 584 2HB ARG 70 2HB ARG 70 6.980 -0.310 9.135 585 1HG ARG 70 1HG ARG 70 9.432 -1.553 10.353 586 2HG ARG 70 2HG ARG 70 8.267 -2.488 9.423 587 1HD ARG 70 1HD ARG 70 8.642 -0.678 7.598 588 2HD ARG 70 2HD ARG 70 10.107 -0.305 8.510 589 HE ARG 70 HE ARG 70 9.823 -3.102 7.956 590 1HH1 ARG 70 1HH1 ARG 70 10.949 -0.058 6.607 591 2HH1 ARG 70 2HH1 ARG 70 12.014 -0.827 5.473 592 1HH2 ARG 70 1HH2 ARG 70 11.221 -4.092 6.464 593 2HH2 ARG 70 2HH2 ARG 70 12.181 -3.111 5.398 594 H LEU 71 H LEU 71 6.547 2.448 9.497 595 HA LEU 71 HA LEU 71 8.475 3.322 7.520 596 1HB LEU 71 1HB LEU 71 5.574 3.824 8.023 597 2HB LEU 71 2HB LEU 71 6.460 4.986 7.054 598 HG LEU 71 HG LEU 71 7.068 3.212 5.459 599 1HD1 LEU 71 1HD1 LEU 71 5.343 1.416 7.161 600 2HD1 LEU 71 2HD1 LEU 71 7.093 1.304 6.971 601 3HD1 LEU 71 3HD1 LEU 71 6.037 1.006 5.592 602 1HD2 LEU 71 1HD2 LEU 71 5.045 4.527 5.079 603 2HD2 LEU 71 2HD2 LEU 71 4.102 3.362 6.009 604 3HD2 LEU 71 3HD2 LEU 71 4.853 2.876 4.489 605 H ASN 72 H ASN 72 8.378 3.982 10.632 606 HA ASN 72 HA ASN 72 9.605 5.471 11.818 607 1HB ASN 72 1HB ASN 72 11.296 6.351 10.640 608 2HB ASN 72 2HB ASN 72 10.427 6.038 9.147 609 1HD2 ASN 72 2HD2 ASN 72 9.156 7.724 8.245 610 2HD2 ASN 72 1HD2 ASN 72 9.479 9.379 8.629 611 H TYR 73 H TYR 73 6.633 5.829 10.811 612 HA TYR 73 HA TYR 73 6.140 8.624 11.165 613 1HB TYR 73 1HB TYR 73 4.251 6.254 11.276 614 2HB TYR 73 2HB TYR 73 3.731 7.934 11.349 615 HD1 TYR 73 HD2 TYR 73 5.316 9.246 9.281 616 HD2 TYR 73 HD1 TYR 73 3.522 5.382 9.253 617 HE1 TYR 73 HE2 TYR 73 5.194 9.323 6.825 618 HE2 TYR 73 HE1 TYR 73 3.393 5.453 6.802 619 HH TYR 73 HH TYR 73 5.021 7.801 4.925 620 HA PRO 74 HA PRO 74 6.458 9.111 15.497 621 1HB PRO 74 1HB PRO 74 3.995 10.785 15.326 622 2HB PRO 74 2HB PRO 74 5.593 11.194 15.962 623 1HG PRO 74 1HG PRO 74 4.795 12.137 13.607 624 2HG PRO 74 2HG PRO 74 6.471 11.606 13.848 625 1HD PRO 74 1HD PRO 74 4.215 10.201 12.466 626 2HD PRO 74 2HD PRO 74 5.931 10.296 12.013 627 HA PRO 75 HA PRO 75 3.858 6.163 17.568 628 1HB PRO 75 1HB PRO 75 4.212 8.003 19.903 629 2HB PRO 75 2HB PRO 75 4.472 6.256 19.793 630 1HG PRO 75 1HG PRO 75 6.547 7.912 19.802 631 2HG PRO 75 2HG PRO 75 6.533 6.498 18.731 632 1HD PRO 75 1HD PRO 75 6.049 9.381 18.077 633 2HD PRO 75 2HD PRO 75 6.907 8.139 17.139 634 H GLY 76 H GLY 76 1.804 5.949 18.534 635 1HA GLY 76 1HA GLY 76 -0.261 7.077 19.317 636 2HA GLY 76 2HA GLY 76 0.031 8.275 18.058 637 H LYS 77 H LYS 77 1.026 6.166 16.236 638 HA LYS 77 HA LYS 77 0.343 4.670 14.671 639 1HB LYS 77 1HB LYS 77 -1.806 3.927 16.675 640 2HB LYS 77 2HB LYS 77 -1.261 2.947 15.318 641 1HG LYS 77 1HG LYS 77 0.917 2.672 16.338 642 2HG LYS 77 2HG LYS 77 0.469 3.761 17.655 643 1HD LYS 77 1HD LYS 77 -1.288 2.183 18.349 644 2HD LYS 77 2HD LYS 77 -0.821 1.093 17.043 645 1HE LYS 77 1HE LYS 77 1.456 0.964 18.059 646 2HE LYS 77 2HE LYS 77 0.855 1.915 19.417 647 1HZ LYS 77 1HZ LYS 77 -0.797 0.156 19.812 648 2HZ LYS 77 2HZ LYS 77 0.788 -0.405 19.963 649 3HZ LYS 77 3HZ LYS 77 -0.106 -0.765 18.574 650 H ASN 78 H ASN 78 -0.992 7.400 15.099 651 HA ASN 78 HA ASN 78 -3.720 7.197 14.364 652 1HB ASN 78 1HB ASN 78 -2.614 9.164 15.513 653 2HB ASN 78 2HB ASN 78 -1.918 9.598 13.956 654 1HD2 ASN 78 2HD2 ASN 78 -4.778 9.471 15.885 655 2HD2 ASN 78 1HD2 ASN 78 -5.796 10.386 14.823 656 H ILE 79 H ILE 79 -0.751 7.540 12.539 657 HA ILE 79 HA ILE 79 -1.935 8.221 10.047 658 HB ILE 79 HB ILE 79 0.779 6.986 10.618 659 1HG1 ILE 79 1HG1 ILE 79 1.545 9.373 10.048 660 2HG1 ILE 79 2HG1 ILE 79 -0.137 9.848 10.249 661 1HG2 ILE 79 1HG2 ILE 79 1.419 7.728 8.367 662 2HG2 ILE 79 2HG2 ILE 79 -0.237 8.259 8.072 663 3HG2 ILE 79 3HG2 ILE 79 0.110 6.546 8.313 664 1HD1 ILE 79 1HD1 ILE 79 1.617 8.606 12.357 665 2HD1 ILE 79 2HD1 ILE 79 -0.067 9.091 12.567 666 3HD1 ILE 79 3HD1 ILE 79 1.167 10.307 12.239 667 H GLY 80 H GLY 80 -1.664 5.280 11.776 668 1HA GLY 80 1HA GLY 80 -1.409 3.358 9.777 669 2HA GLY 80 2HA GLY 80 -2.242 3.114 11.303 670 H SER 81 H SER 81 -4.372 4.856 11.052 671 HA SER 81 HA SER 81 -6.180 3.348 9.498 672 1HB SER 81 1HB SER 81 -7.801 5.172 10.059 673 2HB SER 81 2HB SER 81 -6.939 4.550 11.466 674 HG SER 81 HG SER 81 -5.866 6.394 11.663 675 H LEU 82 H LEU 82 -4.540 6.414 8.940 676 HA LEU 82 HA LEU 82 -5.802 7.168 6.540 677 1HB LEU 82 1HB LEU 82 -4.359 8.605 8.004 678 2HB LEU 82 2HB LEU 82 -2.957 7.726 7.441 679 HG LEU 82 HG LEU 82 -3.423 10.035 6.430 680 1HD1 LEU 82 1HD1 LEU 82 -3.010 7.700 4.566 681 2HD1 LEU 82 2HD1 LEU 82 -1.762 8.536 5.489 682 3HD1 LEU 82 3HD1 LEU 82 -2.628 9.386 4.209 683 1HD2 LEU 82 1HD2 LEU 82 -5.815 9.744 6.050 684 2HD2 LEU 82 2HD2 LEU 82 -5.484 8.457 4.889 685 3HD2 LEU 82 3HD2 LEU 82 -4.970 10.109 4.547 686 H LEU 83 H LEU 83 -2.894 5.298 7.202 687 HA LEU 83 HA LEU 83 -2.060 4.721 4.605 688 1HB LEU 83 1HB LEU 83 -0.709 4.287 6.593 689 2HB LEU 83 2HB LEU 83 -1.858 3.085 7.143 690 HG LEU 83 HG LEU 83 -1.285 1.679 5.170 691 1HD1 LEU 83 1HD1 LEU 83 0.726 2.204 3.877 692 2HD1 LEU 83 2HD1 LEU 83 0.855 3.758 4.703 693 3HD1 LEU 83 3HD1 LEU 83 -0.525 3.427 3.656 694 1HD2 LEU 83 1HD2 LEU 83 1.052 2.452 6.924 695 2HD2 LEU 83 2HD2 LEU 83 0.891 0.950 6.013 696 3HD2 LEU 83 3HD2 LEU 83 -0.218 1.300 7.337 697 H ARG 84 H ARG 84 -4.047 2.728 6.793 698 HA ARG 84 HA ARG 84 -4.639 0.695 4.956 699 1HB ARG 84 1HB ARG 84 -5.017 0.745 7.514 700 2HB ARG 84 2HB ARG 84 -6.539 1.547 7.142 701 1HG ARG 84 1HG ARG 84 -6.899 -0.505 5.548 702 2HG ARG 84 2HG ARG 84 -5.687 -1.265 6.581 703 1HD ARG 84 1HD ARG 84 -7.749 -1.852 7.544 704 2HD ARG 84 2HD ARG 84 -7.152 -0.528 8.548 705 HE ARG 84 HE ARG 84 -8.934 0.166 6.350 706 1HH1 ARG 84 1HH1 ARG 84 -8.560 -0.327 9.792 707 2HH1 ARG 84 2HH1 ARG 84 -10.057 0.450 10.189 708 1HH2 ARG 84 1HH2 ARG 84 -10.878 1.172 6.849 709 2HH2 ARG 84 2HH2 ARG 84 -11.391 1.307 8.506 710 H SER 85 H SER 85 -6.207 3.766 5.641 711 HA SER 85 HA SER 85 -8.604 3.430 4.259 712 1HB SER 85 1HB SER 85 -8.194 5.353 5.725 713 2HB SER 85 2HB SER 85 -6.955 5.953 4.625 714 HG SER 85 HG SER 85 -9.720 6.049 4.426 715 H HIS 86 H HIS 86 -5.517 4.812 3.110 716 HA HIS 86 HA HIS 86 -6.439 5.098 0.433 717 1HB HIS 86 1HB HIS 86 -3.675 5.160 1.641 718 2HB HIS 86 2HB HIS 86 -3.944 5.335 -0.092 719 HD1 HIS 86 HD1 HIS 86 -5.325 7.481 -0.854 720 HD2 HIS 86 HD2 HIS 86 -4.195 7.423 3.144 721 HE1 HIS 86 HE1 HIS 86 -5.625 9.835 -0.032 722 HE2 HIS 86 HE2 HIS 86 -5.159 9.715 2.436 723 H TYR 87 H TYR 87 -4.988 2.434 2.194 724 HA TYR 87 HA TYR 87 -4.341 0.841 -0.053 725 1HB TYR 87 1HB TYR 87 -3.770 0.368 2.418 726 2HB TYR 87 2HB TYR 87 -5.393 -0.298 2.547 727 HD1 TYR 87 HD2 TYR 87 -5.928 -2.041 0.473 728 HD2 TYR 87 HD1 TYR 87 -2.079 -1.175 2.087 729 HE1 TYR 87 HE2 TYR 87 -5.093 -4.186 -0.376 730 HE2 TYR 87 HE1 TYR 87 -1.240 -3.319 1.233 731 HH TYR 87 HH TYR 87 -2.153 -5.533 0.582 732 H GLU 88 H GLU 88 -7.256 0.834 1.996 733 HA GLU 88 HA GLU 88 -8.771 -1.038 0.646 734 1HB GLU 88 1HB GLU 88 -9.762 1.466 2.035 735 2HB GLU 88 2HB GLU 88 -10.743 0.060 1.651 736 1HG GLU 88 1HG GLU 88 -9.474 -1.301 3.183 737 2HG GLU 88 2HG GLU 88 -8.361 0.030 3.500 738 H ARG 89 H ARG 89 -8.184 2.298 -0.180 739 HA ARG 89 HA ARG 89 -10.381 2.307 -2.121 740 1HB ARG 89 1HB ARG 89 -8.700 4.550 -0.986 741 2HB ARG 89 2HB ARG 89 -10.010 4.765 -2.143 742 1HG ARG 89 1HG ARG 89 -11.646 4.085 -0.582 743 2HG ARG 89 2HG ARG 89 -10.436 3.428 0.520 744 1HD ARG 89 1HD ARG 89 -11.364 5.561 1.313 745 2HD ARG 89 2HD ARG 89 -9.628 5.657 1.017 746 HE ARG 89 HE ARG 89 -11.018 6.495 -1.288 747 1HH1 ARG 89 1HH1 ARG 89 -10.373 7.525 1.986 748 2HH1 ARG 89 2HH1 ARG 89 -10.457 9.215 1.621 749 1HH2 ARG 89 1HH2 ARG 89 -11.127 8.722 -1.799 750 2HH2 ARG 89 2HH2 ARG 89 -10.905 9.900 -0.544 751 H ILE 90 H ILE 90 -6.917 2.219 -1.995 752 HA ILE 90 HA ILE 90 -6.798 2.798 -4.896 753 HB ILE 90 HB ILE 90 -4.630 3.340 -2.847 754 1HG1 ILE 90 1HG1 ILE 90 -6.491 4.932 -2.629 755 2HG1 ILE 90 2HG1 ILE 90 -5.060 5.726 -3.273 756 1HG2 ILE 90 1HG2 ILE 90 -3.675 2.756 -4.992 757 2HG2 ILE 90 2HG2 ILE 90 -3.466 4.483 -4.703 758 3HG2 ILE 90 3HG2 ILE 90 -4.717 3.918 -5.812 759 1HD1 ILE 90 1HD1 ILE 90 -6.024 5.622 -5.520 760 2HD1 ILE 90 2HD1 ILE 90 -7.064 6.491 -4.392 761 3HD1 ILE 90 3HD1 ILE 90 -7.459 4.837 -4.861 762 H VAL 91 H VAL 91 -5.229 1.000 -2.246 763 HA VAL 91 HA VAL 91 -3.641 -0.497 -4.181 764 HB VAL 91 HB VAL 91 -3.547 -0.732 -1.168 765 1HG1 VAL 91 1HG1 VAL 91 -1.257 -1.522 -1.549 766 2HG1 VAL 91 2HG1 VAL 91 -1.496 -1.378 -3.291 767 3HG1 VAL 91 3HG1 VAL 91 -2.440 -2.545 -2.365 768 1HG2 VAL 91 1HG2 VAL 91 -1.988 1.159 -2.938 769 2HG2 VAL 91 2HG2 VAL 91 -1.698 0.890 -1.219 770 3HG2 VAL 91 3HG2 VAL 91 -3.219 1.605 -1.755 771 H TYR 92 H TYR 92 -6.589 -0.926 -2.542 772 HA TYR 92 HA TYR 92 -6.488 -3.644 -1.878 773 1HB TYR 92 1HB TYR 92 -8.355 -1.754 -1.478 774 2HB TYR 92 2HB TYR 92 -9.096 -2.563 -2.854 775 HD1 TYR 92 HD2 TYR 92 -7.715 -5.326 -1.800 776 HD2 TYR 92 HD1 TYR 92 -10.373 -2.429 -0.158 777 HE1 TYR 92 HE2 TYR 92 -8.616 -7.021 -0.266 778 HE2 TYR 92 HE1 TYR 92 -11.269 -4.114 1.378 779 HH TYR 92 HH TYR 92 -9.796 -6.913 2.112 780 HA PRO 93 HA PRO 93 -8.076 -4.513 -6.457 781 1HB PRO 93 1HB PRO 93 -6.880 -2.133 -7.793 782 2HB PRO 93 2HB PRO 93 -8.409 -2.959 -8.123 783 1HG PRO 93 1HG PRO 93 -8.391 -0.593 -6.899 784 2HG PRO 93 2HG PRO 93 -9.523 -1.864 -6.393 785 1HD PRO 93 1HD PRO 93 -6.947 -1.002 -5.113 786 2HD PRO 93 2HD PRO 93 -8.499 -1.412 -4.353 787 H TYR 94 H TYR 94 -5.103 -2.915 -5.517 788 HA TYR 94 HA TYR 94 -3.437 -4.167 -7.458 789 1HB TYR 94 1HB TYR 94 -2.971 -2.514 -5.023 790 2HB TYR 94 2HB TYR 94 -1.637 -3.523 -5.575 791 HD1 TYR 94 HD1 TYR 94 -0.565 -3.117 -7.716 792 HD2 TYR 94 HD2 TYR 94 -3.734 -0.606 -6.373 793 HE1 TYR 94 HE1 TYR 94 0.031 -1.455 -9.422 794 HE2 TYR 94 HE2 TYR 94 -3.136 1.063 -8.070 795 HH TYR 94 HH TYR 94 -1.143 1.707 -9.411 796 H GLU 95 H GLU 95 -4.675 -5.160 -4.344 797 HA GLU 95 HA GLU 95 -3.094 -7.400 -3.856 798 1HB GLU 95 1HB GLU 95 -4.810 -6.923 -2.268 799 2HB GLU 95 2HB GLU 95 -6.055 -6.903 -3.505 800 1HG GLU 95 1HG GLU 95 -6.301 -8.871 -2.145 801 2HG GLU 95 2HG GLU 95 -5.832 -9.336 -3.775 802 H MET 96 H MET 96 -6.106 -7.284 -5.753 803 HA MET 96 HA MET 96 -6.004 -9.751 -6.969 804 1HB MET 96 1HB MET 96 -6.968 -7.137 -8.168 805 2HB MET 96 2HB MET 96 -7.330 -8.729 -8.818 806 1HG MET 96 1HG MET 96 -8.564 -9.304 -6.819 807 2HG MET 96 2HG MET 96 -8.135 -7.759 -6.083 808 1HE MET 96 1HE MET 96 -11.987 -7.392 -6.819 809 2HE MET 96 2HE MET 96 -10.735 -7.346 -5.577 810 3HE MET 96 3HE MET 96 -11.149 -8.874 -6.354 811 H TYR 97 H TYR 97 -4.670 -6.696 -8.242 812 HA TYR 97 HA TYR 97 -3.611 -7.835 -10.596 813 1HB TYR 97 1HB TYR 97 -4.067 -5.455 -10.446 814 2HB TYR 97 2HB TYR 97 -2.885 -5.273 -9.155 815 HD1 TYR 97 HD2 TYR 97 -2.959 -6.702 -12.624 816 HD2 TYR 97 HD1 TYR 97 -0.890 -4.281 -9.794 817 HE1 TYR 97 HE2 TYR 97 -1.216 -6.248 -14.294 818 HE2 TYR 97 HE1 TYR 97 0.858 -3.823 -11.461 819 HH TYR 97 HH TYR 97 0.502 -4.687 -14.788 820 H GLN 98 H GLN 98 -1.712 -6.509 -7.868 821 HA GLN 98 HA GLN 98 0.685 -7.654 -8.873 822 1HB GLN 98 1HB GLN 98 0.714 -5.562 -7.620 823 2HB GLN 98 2HB GLN 98 0.111 -6.384 -6.187 824 1HG GLN 98 1HG GLN 98 2.137 -7.573 -5.896 825 2HG GLN 98 2HG GLN 98 2.719 -7.121 -7.497 826 1HE2 GLN 98 2HE2 GLN 98 3.552 -5.064 -7.826 827 2HE2 GLN 98 1HE2 GLN 98 3.990 -4.019 -6.520 828 H SER 99 H SER 99 -1.367 -8.464 -6.035 829 HA SER 99 HA SER 99 0.297 -10.666 -5.320 830 1HB SER 99 1HB SER 99 -2.604 -10.192 -4.575 831 2HB SER 99 2HB SER 99 -1.491 -11.312 -3.786 832 HG SER 99 HG SER 99 -1.793 -9.161 -2.787 833 H GLY 100 H GLY 100 -2.558 -10.260 -7.406 834 1HA GLY 100 1HA GLY 100 -2.985 -12.981 -7.980 835 2HA GLY 100 2HA GLY 100 -3.336 -11.644 -9.069 836 H ALA 101 H ALA 101 -0.628 -10.681 -9.217 837 HA ALA 101 HA ALA 101 0.405 -12.312 -11.285 838 1HB ALA 101 1HB ALA 101 1.797 -10.125 -9.740 839 2HB ALA 101 2HB ALA 101 0.808 -9.897 -11.182 840 3HB ALA 101 3HB ALA 101 2.320 -10.800 -11.283 841 H ASN 102 H ASN 102 1.425 -11.827 -7.906 842 HA ASN 102 HA ASN 102 3.518 -13.829 -8.149 843 1HB ASN 102 1HB ASN 102 3.813 -11.858 -6.694 844 2HB ASN 102 2HB ASN 102 2.461 -12.384 -5.701 845 1HD2 ASN 102 2HD2 ASN 102 4.857 -14.587 -7.036 846 2HD2 ASN 102 1HD2 ASN 102 5.571 -15.001 -5.519 847 H LEU 103 H LEU 103 0.782 -13.590 -5.869 848 HA LEU 103 HA LEU 103 -0.572 -15.858 -6.751 849 1HB LEU 103 1HB LEU 103 -0.179 -17.529 -5.120 850 2HB LEU 103 2HB LEU 103 1.397 -17.050 -5.708 851 HG LEU 103 HG LEU 103 0.207 -16.106 -3.090 852 1HD1 LEU 103 1HD1 LEU 103 2.223 -18.294 -3.596 853 2HD1 LEU 103 2HD1 LEU 103 0.561 -18.516 -3.048 854 3HD1 LEU 103 3HD1 LEU 103 1.725 -17.687 -2.017 855 1HD2 LEU 103 1HD2 LEU 103 2.497 -15.415 -2.569 856 2HD2 LEU 103 2HD2 LEU 103 1.887 -14.583 -3.998 857 3HD2 LEU 103 3HD2 LEU 103 3.020 -15.921 -4.177 858 H VAL 104 H VAL 104 -2.614 -15.400 -6.215 859 HA VAL 104 HA VAL 104 -3.035 -13.287 -4.264 860 HB VAL 104 HB VAL 104 -4.050 -12.987 -6.454 861 1HG1 VAL 104 1HG1 VAL 104 -4.389 -15.318 -7.088 862 2HG1 VAL 104 2HG1 VAL 104 -5.885 -14.399 -7.254 863 3HG1 VAL 104 3HG1 VAL 104 -5.661 -15.478 -5.875 864 1HG2 VAL 104 1HG2 VAL 104 -5.165 -11.982 -4.541 865 2HG2 VAL 104 2HG2 VAL 104 -6.118 -13.447 -4.299 866 3HG2 VAL 104 3HG2 VAL 104 -6.349 -12.474 -5.752 867 H CYS 105 H CYS 105 -3.488 -13.755 -2.275 868 HA CYS 105 HA CYS 105 -4.846 -16.298 -1.650 869 1HB CYS 105 1HB CYS 105 -2.881 -14.759 0.064 870 2HB CYS 105 2HB CYS 105 -3.619 -16.309 0.464 871 HG CYS 105 HG CYS 105 -1.360 -15.709 -2.035 872 H ASN 106 H ASN 106 -4.875 -12.834 -1.181 873 HA ASN 106 HA ASN 106 -6.691 -12.989 1.085 874 1HB ASN 106 1HB ASN 106 -5.752 -10.549 -0.452 875 2HB ASN 106 2HB ASN 106 -6.635 -10.536 1.071 876 1HD2 ASN 106 2HD2 ASN 106 -3.578 -10.909 -0.454 877 2HD2 ASN 106 1HD2 ASN 106 -2.636 -11.076 0.985 878 H THR 107 H THR 107 -7.154 -13.581 -2.031 879 HA THR 107 HA THR 107 -9.274 -11.940 -2.841 880 HB THR 107 HB THR 107 -8.091 -13.333 -4.445 881 HG1 THR 107 HG1 THR 107 -10.513 -12.823 -4.572 882 1HG2 THR 107 1HG2 THR 107 -8.458 -15.760 -4.569 883 2HG2 THR 107 2HG2 THR 107 -9.396 -15.695 -3.077 884 3HG2 THR 107 3HG2 THR 107 -7.676 -15.305 -3.053 885 H ARG 108 H ARG 108 -9.282 -14.977 -0.993 886 HA ARG 108 HA ARG 108 -12.176 -14.984 -0.865 887 1HB ARG 108 1HB ARG 108 -10.980 -17.126 -1.001 888 2HB ARG 108 2HB ARG 108 -10.182 -16.787 0.529 889 1HG ARG 108 1HG ARG 108 -12.370 -16.768 1.652 890 2HG ARG 108 2HG ARG 108 -13.148 -17.153 0.117 891 1HD ARG 108 1HD ARG 108 -11.923 -19.268 0.018 892 2HD ARG 108 2HD ARG 108 -11.112 -18.875 1.538 893 HE ARG 108 HE ARG 108 -14.017 -18.905 1.605 894 1HH1 ARG 108 1HH1 ARG 108 -11.061 -20.697 2.189 895 2HH1 ARG 108 2HH1 ARG 108 -11.815 -21.804 3.293 896 1HH2 ARG 108 1HH2 ARG 108 -14.997 -20.344 3.038 897 2HH2 ARG 108 2HH2 ARG 108 -14.062 -21.603 3.781 898 HA PRO 109 HA PRO 109 -10.928 -13.877 3.861 899 1HB PRO 109 1HB PRO 109 -8.535 -12.306 2.955 900 2HB PRO 109 2HB PRO 109 -8.829 -13.109 4.504 901 1HG PRO 109 1HG PRO 109 -7.238 -14.241 2.718 902 2HG PRO 109 2HG PRO 109 -8.394 -15.230 3.635 903 1HD PRO 109 1HD PRO 109 -8.518 -14.309 0.794 904 2HD PRO 109 2HD PRO 109 -9.071 -15.835 1.511 905 H PHE 110 H PHE 110 -10.500 -12.026 0.914 906 HA PHE 110 HA PHE 110 -11.209 -9.463 1.569 907 1HB PHE 110 1HB PHE 110 -10.743 -10.570 -0.736 908 2HB PHE 110 2HB PHE 110 -12.466 -10.899 -0.780 909 HD1 PHE 110 HD1 PHE 110 -13.027 -8.076 0.686 910 HD2 PHE 110 HD2 PHE 110 -10.922 -9.329 -2.803 911 HE1 PHE 110 HE1 PHE 110 -13.393 -5.865 -0.334 912 HE2 PHE 110 HE2 PHE 110 -11.290 -7.124 -3.819 913 HZ PHE 110 HZ PHE 110 -12.529 -5.392 -2.585 914 H ASP 111 H ASP 111 -13.337 -12.245 1.102 915 HA ASP 111 HA ASP 111 -15.813 -11.015 1.547 916 1HB ASP 111 1HB ASP 111 -15.704 -13.234 0.616 917 2HB ASP 111 2HB ASP 111 -14.854 -13.847 2.027 918 H ASN 112 H ASN 112 -13.493 -12.452 3.775 919 HA ASN 112 HA ASN 112 -15.220 -12.214 6.069 920 1HB ASN 112 1HB ASN 112 -12.342 -13.066 5.720 921 2HB ASN 112 2HB ASN 112 -13.092 -12.931 7.305 922 1HD2 ASN 112 2HD2 ASN 112 -14.892 -14.003 4.491 923 2HD2 ASN 112 1HD2 ASN 112 -15.045 -15.646 4.991 924 H GLU 113 H GLU 113 -13.035 -10.119 4.473 925 HA GLU 113 HA GLU 113 -12.728 -8.429 6.843 926 1HB GLU 113 1HB GLU 113 -10.797 -8.766 5.291 927 2HB GLU 113 2HB GLU 113 -11.710 -7.941 4.034 928 1HG GLU 113 1HG GLU 113 -11.816 -5.936 5.495 929 2HG GLU 113 2HG GLU 113 -10.779 -6.768 6.651 930 H GLU 114 H GLU 114 -13.834 -8.044 3.492 931 HA GLU 114 HA GLU 114 -15.007 -5.530 3.803 932 1HB GLU 114 1HB GLU 114 -14.481 -6.530 1.615 933 2HB GLU 114 2HB GLU 114 -15.747 -7.727 1.854 934 1HG GLU 114 1HG GLU 114 -17.429 -5.949 1.865 935 2HG GLU 114 2HG GLU 114 -16.160 -4.748 1.630 936 H LYS 115 H LYS 115 -16.363 -8.778 4.192 937 HA LYS 115 HA LYS 115 -18.817 -7.554 5.287 938 1HB LYS 115 1HB LYS 115 -18.386 -10.332 4.155 939 2HB LYS 115 2HB LYS 115 -19.887 -9.759 4.870 940 1HG LYS 115 1HG LYS 115 -20.005 -8.012 3.106 941 2HG LYS 115 2HG LYS 115 -18.568 -8.716 2.364 942 1HD LYS 115 1HD LYS 115 -20.555 -9.528 1.233 943 2HD LYS 115 2HD LYS 115 -19.780 -10.855 2.102 944 1HE LYS 115 1HE LYS 115 -21.401 -10.496 3.969 945 2HE LYS 115 2HE LYS 115 -22.223 -9.299 2.967 946 1HZ LYS 115 1HZ LYS 115 -22.587 -11.062 1.310 947 2HZ LYS 115 2HZ LYS 115 -23.336 -11.399 2.787 948 3HZ LYS 115 3HZ LYS 115 -21.901 -12.192 2.367 949 H ASP 116 H ASP 116 -16.356 -7.772 6.735 950 HA ASP 116 HA ASP 116 -16.167 -9.865 8.542 951 1HB ASP 116 1HB ASP 116 -14.520 -8.059 8.453 952 2HB ASP 116 2HB ASP 116 -15.718 -6.901 9.019 953 H LYS 117 H LYS 117 -18.169 -6.971 8.676 954 HA LYS 117 HA LYS 117 -19.814 -8.200 10.784 955 1HB LYS 117 1HB LYS 117 -18.959 -5.969 11.342 956 2HB LYS 117 2HB LYS 117 -19.642 -5.313 9.860 957 1HG LYS 117 1HG LYS 117 -21.898 -5.813 10.668 958 2HG LYS 117 2HG LYS 117 -21.220 -6.491 12.150 959 1HD LYS 117 1HD LYS 117 -20.237 -4.295 12.686 960 2HD LYS 117 2HD LYS 117 -20.958 -3.626 11.219 961 1HE LYS 117 1HE LYS 117 -22.308 -3.091 13.184 962 2HE LYS 117 2HE LYS 117 -23.192 -4.143 12.078 963 1HZ LYS 117 1HZ LYS 117 -22.705 -6.018 13.483 964 2HZ LYS 117 2HZ LYS 117 -23.424 -4.802 14.413 965 3HZ LYS 117 3HZ LYS 117 -21.757 -5.064 14.510 Start of MODEL 3 1 1H SER 1 1H SER 1 6.747 16.957 -4.436 2 2H SER 1 2H SER 1 6.603 16.342 -2.870 3 3H SER 1 3H SER 1 5.691 17.686 -3.337 4 HA SER 1 HA SER 1 4.329 15.726 -3.277 5 1HB SER 1 1HB SER 1 3.501 15.847 -5.657 6 2HB SER 1 2HB SER 1 3.703 17.419 -4.883 7 HG SER 1 HG SER 1 4.771 17.765 -6.696 8 H MET 2 H MET 2 5.889 15.205 -6.407 9 HA MET 2 HA MET 2 5.927 12.344 -5.867 10 1HB MET 2 1HB MET 2 6.492 13.925 -8.389 11 2HB MET 2 2HB MET 2 6.507 12.168 -8.293 12 1HG MET 2 1HG MET 2 4.123 13.929 -7.742 13 2HG MET 2 2HG MET 2 4.417 13.028 -9.228 14 1HE MET 2 1HE MET 2 4.349 10.380 -9.403 15 2HE MET 2 2HE MET 2 4.161 9.316 -8.008 16 3HE MET 2 3HE MET 2 5.617 10.298 -8.180 17 H ASN 3 H ASN 3 8.128 14.990 -6.113 18 HA ASN 3 HA ASN 3 10.499 13.769 -6.859 19 1HB ASN 3 1HB ASN 3 10.266 16.199 -6.615 20 2HB ASN 3 2HB ASN 3 10.102 16.023 -4.870 21 1HD2 ASN 3 2HD2 ASN 3 11.881 17.273 -4.398 22 2HD2 ASN 3 1HD2 ASN 3 13.502 16.757 -4.715 23 H GLU 4 H GLU 4 9.004 13.974 -3.674 24 HA GLU 4 HA GLU 4 11.140 12.987 -2.160 25 1HB GLU 4 1HB GLU 4 8.175 12.738 -1.593 26 2HB GLU 4 2HB GLU 4 9.458 12.464 -0.425 27 1HG GLU 4 1HG GLU 4 8.886 14.597 0.124 28 2HG GLU 4 2HG GLU 4 10.133 14.928 -1.073 29 H LEU 5 H LEU 5 8.790 11.347 -4.144 30 HA LEU 5 HA LEU 5 9.567 8.723 -3.153 31 1HB LEU 5 1HB LEU 5 7.225 9.352 -4.059 32 2HB LEU 5 2HB LEU 5 7.957 9.260 -5.651 33 HG LEU 5 HG LEU 5 8.722 6.865 -4.776 34 1HD1 LEU 5 1HD1 LEU 5 7.019 5.815 -3.381 35 2HD1 LEU 5 2HD1 LEU 5 6.213 7.372 -3.183 36 3HD1 LEU 5 3HD1 LEU 5 7.835 7.129 -2.533 37 1HD2 LEU 5 1HD2 LEU 5 6.829 5.866 -5.881 38 2HD2 LEU 5 2HD2 LEU 5 7.336 7.306 -6.767 39 3HD2 LEU 5 3HD2 LEU 5 5.905 7.365 -5.736 40 H GLU 6 H GLU 6 9.856 10.632 -6.128 41 HA GLU 6 HA GLU 6 11.341 8.699 -7.574 42 1HB GLU 6 1HB GLU 6 9.944 10.597 -8.524 43 2HB GLU 6 2HB GLU 6 11.262 11.679 -8.099 44 1HG GLU 6 1HG GLU 6 12.764 10.417 -9.576 45 2HG GLU 6 2HG GLU 6 11.431 9.348 -10.010 46 H ALA 7 H ALA 7 12.239 10.634 -5.005 47 HA ALA 7 HA ALA 7 14.808 11.473 -5.427 48 1HB ALA 7 1HB ALA 7 13.584 11.793 -3.326 49 2HB ALA 7 2HB ALA 7 15.194 11.132 -3.039 50 3HB ALA 7 3HB ALA 7 13.781 10.081 -2.950 51 H GLN 8 H GLN 8 13.737 8.149 -4.772 52 HA GLN 8 HA GLN 8 16.447 7.118 -4.914 53 1HB GLN 8 1HB GLN 8 13.773 5.691 -4.792 54 2HB GLN 8 2HB GLN 8 15.341 4.897 -4.701 55 1HG GLN 8 1HG GLN 8 15.853 6.080 -2.640 56 2HG GLN 8 2HG GLN 8 14.327 6.955 -2.743 57 1HE2 GLN 8 2HE2 GLN 8 15.827 3.875 -2.100 58 2HE2 GLN 8 1HE2 GLN 8 14.453 3.150 -1.341 59 H THR 9 H THR 9 17.279 5.836 -6.642 60 HA THR 9 HA THR 9 16.099 6.775 -9.168 61 HB THR 9 HB THR 9 18.994 6.073 -8.637 62 HG1 THR 9 HG1 THR 9 17.525 8.477 -8.372 63 1HG2 THR 9 1HG2 THR 9 17.677 7.588 -10.903 64 2HG2 THR 9 2HG2 THR 9 18.339 5.955 -11.005 65 3HG2 THR 9 3HG2 THR 9 19.411 7.325 -10.708 66 H ARG 10 H ARG 10 15.513 5.457 -10.684 67 HA ARG 10 HA ARG 10 15.089 3.642 -11.944 68 1HB ARG 10 1HB ARG 10 17.935 3.005 -11.159 69 2HB ARG 10 2HB ARG 10 17.041 2.133 -12.401 70 1HG ARG 10 1HG ARG 10 16.803 4.200 -13.691 71 2HG ARG 10 2HG ARG 10 17.687 5.082 -12.443 72 1HD ARG 10 1HD ARG 10 19.152 4.539 -14.304 73 2HD ARG 10 2HD ARG 10 19.655 3.675 -12.850 74 HE ARG 10 HE ARG 10 17.928 2.026 -14.340 75 1HH1 ARG 10 1HH1 ARG 10 21.150 3.385 -14.494 76 2HH1 ARG 10 2HH1 ARG 10 21.784 2.097 -15.467 77 1HH2 ARG 10 1HH2 ARG 10 18.754 0.331 -15.627 78 2HH2 ARG 10 2HH2 ARG 10 20.420 0.360 -16.118 79 H VAL 11 H VAL 11 15.233 3.302 -8.709 80 HA VAL 11 HA VAL 11 14.234 0.545 -8.898 81 HB VAL 11 HB VAL 11 16.026 0.845 -7.222 82 1HG1 VAL 11 1HG1 VAL 11 15.656 3.189 -6.648 83 2HG1 VAL 11 2HG1 VAL 11 15.655 2.178 -5.203 84 3HG1 VAL 11 3HG1 VAL 11 14.132 2.768 -5.866 85 1HG2 VAL 11 1HG2 VAL 11 14.864 -0.175 -5.316 86 2HG2 VAL 11 2HG2 VAL 11 14.325 -0.861 -6.849 87 3HG2 VAL 11 3HG2 VAL 11 13.314 0.311 -6.003 88 H LYS 12 H LYS 12 13.557 3.823 -7.849 89 HA LYS 12 HA LYS 12 10.884 3.152 -6.937 90 1HB LYS 12 1HB LYS 12 12.652 5.056 -6.147 91 2HB LYS 12 2HB LYS 12 11.694 5.995 -7.281 92 1HG LYS 12 1HG LYS 12 10.564 6.398 -5.332 93 2HG LYS 12 2HG LYS 12 9.671 5.001 -5.931 94 1HD LYS 12 1HD LYS 12 10.904 3.525 -4.460 95 2HD LYS 12 2HD LYS 12 11.954 4.849 -3.951 96 1HE LYS 12 1HE LYS 12 9.957 6.003 -3.014 97 2HE LYS 12 2HE LYS 12 8.988 4.590 -3.427 98 1HZ LYS 12 1HZ LYS 12 9.666 4.562 -1.112 99 2HZ LYS 12 2HZ LYS 12 11.295 4.620 -1.559 100 3HZ LYS 12 3HZ LYS 12 10.365 3.266 -1.944 101 H LEU 13 H LEU 13 12.482 4.362 -9.754 102 HA LEU 13 HA LEU 13 10.316 5.735 -10.954 103 1HB LEU 13 1HB LEU 13 12.886 4.605 -12.040 104 2HB LEU 13 2HB LEU 13 11.696 5.335 -13.098 105 HG LEU 13 HG LEU 13 11.905 7.465 -11.860 106 1HD1 LEU 13 1HD1 LEU 13 14.125 6.081 -10.355 107 2HD1 LEU 13 2HD1 LEU 13 12.578 6.596 -9.682 108 3HD1 LEU 13 3HD1 LEU 13 13.725 7.798 -10.273 109 1HD2 LEU 13 1HD2 LEU 13 14.527 6.369 -12.880 110 2HD2 LEU 13 2HD2 LEU 13 14.105 8.075 -12.714 111 3HD2 LEU 13 3HD2 LEU 13 13.240 7.061 -13.868 112 H ASN 14 H ASN 14 11.627 2.453 -11.507 113 HA ASN 14 HA ASN 14 9.775 1.592 -13.398 114 1HB ASN 14 1HB ASN 14 11.714 0.239 -12.847 115 2HB ASN 14 2HB ASN 14 11.142 0.016 -11.198 116 1HD2 ASN 14 2HD2 ASN 14 9.133 -0.147 -14.099 117 2HD2 ASN 14 1HD2 ASN 14 8.759 -1.828 -13.951 118 H TYR 15 H TYR 15 9.623 1.340 -9.866 119 HA TYR 15 HA TYR 15 7.089 0.176 -9.663 120 1HB TYR 15 1HB TYR 15 8.615 0.301 -7.759 121 2HB TYR 15 2HB TYR 15 8.498 2.059 -7.750 122 HD1 TYR 15 HD1 TYR 15 6.691 -1.080 -7.036 123 HD2 TYR 15 HD2 TYR 15 6.596 3.171 -6.767 124 HE1 TYR 15 HE1 TYR 15 4.770 -1.222 -5.513 125 HE2 TYR 15 HE2 TYR 15 4.672 3.037 -5.245 126 HH TYR 15 HH TYR 15 3.599 0.046 -3.885 127 H LEU 16 H LEU 16 8.090 3.554 -9.870 128 HA LEU 16 HA LEU 16 5.584 4.748 -9.426 129 1HB LEU 16 1HB LEU 16 7.918 5.819 -9.502 130 2HB LEU 16 2HB LEU 16 7.738 5.842 -11.242 131 HG LEU 16 HG LEU 16 5.790 7.226 -9.389 132 1HD1 LEU 16 1HD1 LEU 16 7.001 9.303 -9.868 133 2HD1 LEU 16 2HD1 LEU 16 8.236 8.385 -10.732 134 3HD1 LEU 16 3HD1 LEU 16 8.011 8.149 -8.998 135 1HD2 LEU 16 1HD2 LEU 16 5.252 8.541 -11.399 136 2HD2 LEU 16 2HD2 LEU 16 4.939 6.824 -11.636 137 3HD2 LEU 16 3HD2 LEU 16 6.380 7.560 -12.337 138 H ASP 17 H ASP 17 7.199 3.606 -12.333 139 HA ASP 17 HA ASP 17 5.380 4.471 -14.263 140 1HB ASP 17 1HB ASP 17 7.590 3.619 -14.845 141 2HB ASP 17 2HB ASP 17 7.169 2.024 -14.235 142 H GLN 18 H GLN 18 5.561 1.328 -12.570 143 HA GLN 18 HA GLN 18 3.206 0.349 -13.863 144 1HB GLN 18 1HB GLN 18 3.426 -1.611 -12.461 145 2HB GLN 18 2HB GLN 18 5.001 -1.149 -13.079 146 1HG GLN 18 1HG GLN 18 5.536 -1.630 -10.916 147 2HG GLN 18 2HG GLN 18 5.201 0.093 -10.773 148 1HE2 GLN 18 2HE2 GLN 18 4.642 0.004 -8.627 149 2HE2 GLN 18 1HE2 GLN 18 3.205 -0.761 -8.051 150 H ILE 19 H ILE 19 3.826 1.827 -10.702 151 HA ILE 19 HA ILE 19 1.274 1.271 -9.579 152 HB ILE 19 HB ILE 19 3.396 1.969 -8.301 153 1HG1 ILE 19 1HG1 ILE 19 2.047 3.253 -6.562 154 2HG1 ILE 19 2HG1 ILE 19 0.701 3.216 -7.697 155 1HG2 ILE 19 1HG2 ILE 19 3.720 4.348 -7.895 156 2HG2 ILE 19 2HG2 ILE 19 2.417 4.735 -9.020 157 3HG2 ILE 19 3HG2 ILE 19 3.897 3.980 -9.611 158 1HD1 ILE 19 1HD1 ILE 19 0.465 1.466 -6.065 159 2HD1 ILE 19 2HD1 ILE 19 2.067 0.840 -6.455 160 3HD1 ILE 19 3HD1 ILE 19 0.773 0.758 -7.650 161 H ALA 20 H ALA 20 2.505 3.745 -11.676 162 HA ALA 20 HA ALA 20 0.189 5.440 -11.438 163 1HB ALA 20 1HB ALA 20 2.384 5.411 -13.517 164 2HB ALA 20 2HB ALA 20 2.368 6.375 -12.040 165 3HB ALA 20 3HB ALA 20 1.177 6.681 -13.304 166 H LYS 21 H LYS 21 1.511 3.476 -14.113 167 HA LYS 21 HA LYS 21 -0.646 3.978 -15.817 168 1HB LYS 21 1HB LYS 21 1.402 1.762 -15.870 169 2HB LYS 21 2HB LYS 21 0.263 2.067 -17.173 170 1HG LYS 21 1HG LYS 21 2.184 4.171 -16.197 171 2HG LYS 21 2HG LYS 21 2.622 2.997 -17.432 172 1HD LYS 21 1HD LYS 21 1.940 4.900 -18.633 173 2HD LYS 21 2HD LYS 21 0.559 3.809 -18.712 174 1HE LYS 21 1HE LYS 21 -0.200 6.066 -18.287 175 2HE LYS 21 2HE LYS 21 -0.502 5.071 -16.866 176 1HZ LYS 21 1HZ LYS 21 1.620 5.984 -15.949 177 2HZ LYS 21 2HZ LYS 21 0.379 7.117 -16.127 178 3HZ LYS 21 3HZ LYS 21 1.648 7.075 -17.242 179 H PHE 22 H PHE 22 -0.061 1.106 -13.744 180 HA PHE 22 HA PHE 22 -2.159 -0.446 -14.729 181 1HB PHE 22 1HB PHE 22 -0.591 -1.451 -13.204 182 2HB PHE 22 2HB PHE 22 -1.005 -0.305 -11.932 183 HD1 PHE 22 HD1 PHE 22 -2.319 -3.166 -13.908 184 HD2 PHE 22 HD2 PHE 22 -2.786 -0.729 -10.450 185 HE1 PHE 22 HE1 PHE 22 -4.016 -4.720 -13.038 186 HE2 PHE 22 HE2 PHE 22 -4.471 -2.277 -9.566 187 HZ PHE 22 HZ PHE 22 -5.093 -4.281 -10.866 188 H TRP 23 H TRP 23 -2.194 1.738 -11.938 189 HA TRP 23 HA TRP 23 -4.936 1.403 -11.379 190 1HB TRP 23 1HB TRP 23 -3.309 2.095 -9.686 191 2HB TRP 23 2HB TRP 23 -3.028 3.602 -10.549 192 HD1 TRP 23 HD1 TRP 23 -3.955 5.373 -8.962 193 HE1 TRP 23 HE1 TRP 23 -6.216 5.812 -7.820 194 HE3 TRP 23 HE3 TRP 23 -6.331 1.000 -10.141 195 HZ2 TRP 23 HZ2 TRP 23 -8.671 4.474 -7.436 196 HZ3 TRP 23 HZ3 TRP 23 -8.631 0.658 -9.349 197 HH2 TRP 23 HH2 TRP 23 -9.777 2.358 -8.020 198 H GLU 24 H GLU 24 -3.157 3.813 -13.285 199 HA GLU 24 HA GLU 24 -5.341 5.576 -13.642 200 1HB GLU 24 1HB GLU 24 -2.857 5.125 -15.315 201 2HB GLU 24 2HB GLU 24 -4.032 6.388 -15.657 202 1HG GLU 24 1HG GLU 24 -3.611 7.354 -13.423 203 2HG GLU 24 2HG GLU 24 -2.387 6.119 -13.141 204 H ILE 25 H ILE 25 -4.217 2.754 -15.449 205 HA ILE 25 HA ILE 25 -6.209 3.117 -17.516 206 HB ILE 25 HB ILE 25 -4.336 0.770 -17.081 207 1HG1 ILE 25 1HG1 ILE 25 -3.050 2.815 -17.409 208 2HG1 ILE 25 2HG1 ILE 25 -2.951 1.825 -18.861 209 1HG2 ILE 25 1HG2 ILE 25 -6.222 0.177 -18.503 210 2HG2 ILE 25 2HG2 ILE 25 -4.746 0.279 -19.462 211 3HG2 ILE 25 3HG2 ILE 25 -5.927 1.588 -19.519 212 1HD1 ILE 25 1HD1 ILE 25 -4.691 4.251 -18.471 213 2HD1 ILE 25 2HD1 ILE 25 -4.646 3.248 -19.921 214 3HD1 ILE 25 3HD1 ILE 25 -3.214 4.155 -19.430 215 H GLN 26 H GLN 26 -6.269 1.892 -14.407 216 HA GLN 26 HA GLN 26 -8.341 -0.075 -14.832 217 1HB GLN 26 1HB GLN 26 -7.333 1.355 -12.368 218 2HB GLN 26 2HB GLN 26 -8.695 0.242 -12.317 219 1HG GLN 26 1HG GLN 26 -5.938 -0.483 -13.293 220 2HG GLN 26 2HG GLN 26 -6.530 -0.776 -11.660 221 1HE2 GLN 26 2HE2 GLN 26 -5.653 -2.619 -13.817 222 2HE2 GLN 26 1HE2 GLN 26 -6.964 -3.728 -14.024 223 H GLY 27 H GLY 27 -8.410 2.995 -15.612 224 1HA GLY 27 1HA GLY 27 -10.301 4.192 -16.298 225 2HA GLY 27 2HA GLY 27 -11.293 3.219 -15.219 226 H SER 28 H SER 28 -8.491 4.300 -13.723 227 HA SER 28 HA SER 28 -9.964 6.500 -12.416 228 1HB SER 28 1HB SER 28 -8.158 4.453 -11.087 229 2HB SER 28 2HB SER 28 -9.002 5.775 -10.278 230 HG SER 28 HG SER 28 -10.975 4.758 -11.163 231 H SER 29 H SER 29 -8.074 7.511 -10.794 232 HA SER 29 HA SER 29 -5.697 7.988 -12.450 233 1HB SER 29 1HB SER 29 -5.825 10.413 -11.728 234 2HB SER 29 2HB SER 29 -7.089 9.907 -12.846 235 HG SER 29 HG SER 29 -7.281 10.784 -10.257 236 H LEU 30 H LEU 30 -3.799 8.215 -11.323 237 HA LEU 30 HA LEU 30 -3.790 7.119 -8.680 238 1HB LEU 30 1HB LEU 30 -2.024 6.600 -10.317 239 2HB LEU 30 2HB LEU 30 -1.519 8.281 -10.307 240 HG LEU 30 HG LEU 30 -0.898 8.072 -7.919 241 1HD1 LEU 30 1HD1 LEU 30 -2.442 6.318 -7.254 242 2HD1 LEU 30 2HD1 LEU 30 -0.783 5.853 -6.881 243 3HD1 LEU 30 3HD1 LEU 30 -1.599 5.158 -8.281 244 1HD2 LEU 30 1HD2 LEU 30 0.381 6.010 -9.713 245 2HD2 LEU 30 2HD2 LEU 30 1.093 6.696 -8.252 246 3HD2 LEU 30 3HD2 LEU 30 0.787 7.725 -9.650 247 H LYS 31 H LYS 31 -4.064 8.214 -6.874 248 HA LYS 31 HA LYS 31 -2.972 10.931 -6.663 249 1HB LYS 31 1HB LYS 31 -5.510 10.915 -7.010 250 2HB LYS 31 2HB LYS 31 -5.632 10.147 -5.437 251 1HG LYS 31 1HG LYS 31 -4.255 12.799 -5.824 252 2HG LYS 31 2HG LYS 31 -5.990 12.670 -5.547 253 1HD LYS 31 1HD LYS 31 -5.598 11.591 -3.401 254 2HD LYS 31 2HD LYS 31 -3.857 11.597 -3.686 255 1HE LYS 31 1HE LYS 31 -4.549 13.406 -2.173 256 2HE LYS 31 2HE LYS 31 -3.834 14.027 -3.661 257 1HZ LYS 31 1HZ LYS 31 -5.833 15.241 -2.997 258 2HZ LYS 31 2HZ LYS 31 -6.751 13.828 -3.131 259 3HZ LYS 31 3HZ LYS 31 -6.027 14.499 -4.503 260 H ILE 32 H ILE 32 -1.303 10.529 -5.376 261 HA ILE 32 HA ILE 32 -1.682 8.804 -3.023 262 HB ILE 32 HB ILE 32 0.889 8.819 -2.984 263 1HG1 ILE 32 1HG1 ILE 32 0.380 9.898 -5.773 264 2HG1 ILE 32 2HG1 ILE 32 1.356 10.632 -4.505 265 1HG2 ILE 32 1HG2 ILE 32 -0.545 7.461 -5.272 266 2HG2 ILE 32 2HG2 ILE 32 -0.464 6.877 -3.610 267 3HG2 ILE 32 3HG2 ILE 32 1.004 6.970 -4.583 268 1HD1 ILE 32 1HD1 ILE 32 2.964 8.797 -4.693 269 2HD1 ILE 32 2HD1 ILE 32 2.749 9.645 -6.224 270 3HD1 ILE 32 3HD1 ILE 32 1.982 8.078 -5.970 271 HA PRO 33 HA PRO 33 -1.640 12.764 -0.892 272 1HB PRO 33 1HB PRO 33 -2.352 11.172 1.472 273 2HB PRO 33 2HB PRO 33 -3.289 12.417 0.637 274 1HG PRO 33 1HG PRO 33 -3.979 9.810 0.546 275 2HG PRO 33 2HG PRO 33 -4.250 10.906 -0.823 276 1HD PRO 33 1HD PRO 33 -2.030 8.920 -0.400 277 2HD PRO 33 2HD PRO 33 -3.002 9.226 -1.859 278 H ASN 34 H ASN 34 -0.924 13.241 1.562 279 HA ASN 34 HA ASN 34 1.762 12.103 1.957 280 1HB ASN 34 1HB ASN 34 1.078 15.054 2.082 281 2HB ASN 34 2HB ASN 34 2.669 14.334 2.308 282 1HD2 ASN 34 2HD2 ASN 34 0.153 15.055 -0.002 283 2HD2 ASN 34 1HD2 ASN 34 1.140 14.926 -1.413 284 H VAL 35 H VAL 35 2.565 12.231 4.043 285 HA VAL 35 HA VAL 35 0.878 13.372 6.110 286 HB VAL 35 HB VAL 35 0.212 11.007 6.063 287 1HG1 VAL 35 1HG1 VAL 35 3.130 10.396 6.555 288 2HG1 VAL 35 2HG1 VAL 35 2.226 10.055 5.077 289 3HG1 VAL 35 3HG1 VAL 35 1.811 9.223 6.575 290 1HG2 VAL 35 1HG2 VAL 35 0.629 10.447 8.404 291 2HG2 VAL 35 2HG2 VAL 35 0.259 12.162 8.222 292 3HG2 VAL 35 3HG2 VAL 35 1.926 11.642 8.471 293 H GLU 36 H GLU 36 2.045 14.105 7.890 294 HA GLU 36 HA GLU 36 3.756 15.044 8.984 295 1HB GLU 36 1HB GLU 36 5.644 13.742 9.596 296 2HB GLU 36 2HB GLU 36 4.229 12.715 9.591 297 1HG GLU 36 1HG GLU 36 4.940 11.556 7.681 298 2HG GLU 36 2HG GLU 36 6.141 12.785 7.281 299 H ARG 37 H ARG 37 3.447 15.423 6.130 300 HA ARG 37 HA ARG 37 4.216 17.002 4.684 301 1HB ARG 37 1HB ARG 37 6.565 17.165 6.571 302 2HB ARG 37 2HB ARG 37 6.532 18.044 5.052 303 1HG ARG 37 1HG ARG 37 5.855 19.552 6.748 304 2HG ARG 37 2HG ARG 37 4.411 19.136 5.826 305 1HD ARG 37 1HD ARG 37 3.741 17.558 7.554 306 2HD ARG 37 2HD ARG 37 5.215 17.901 8.461 307 HE ARG 37 HE ARG 37 3.330 20.078 7.898 308 1HH1 ARG 37 1HH1 ARG 37 4.927 17.981 10.209 309 2HH1 ARG 37 2HH1 ARG 37 4.368 18.873 11.589 310 1HH2 ARG 37 1HH2 ARG 37 2.620 21.257 9.691 311 2HH2 ARG 37 2HH2 ARG 37 3.063 20.753 11.295 312 H ARG 38 H ARG 38 5.113 13.980 4.917 313 HA ARG 38 HA ARG 38 6.851 14.168 2.540 314 1HB ARG 38 1HB ARG 38 8.158 12.374 3.215 315 2HB ARG 38 2HB ARG 38 7.861 13.187 4.742 316 1HG ARG 38 1HG ARG 38 6.037 11.563 5.200 317 2HG ARG 38 2HG ARG 38 6.470 10.718 3.713 318 1HD ARG 38 1HD ARG 38 8.871 10.708 4.790 319 2HD ARG 38 2HD ARG 38 7.971 10.923 6.290 320 HE ARG 38 HE ARG 38 7.375 8.697 4.454 321 1HH1 ARG 38 1HH1 ARG 38 8.197 9.855 7.666 322 2HH1 ARG 38 2HH1 ARG 38 8.189 8.264 8.364 323 1HH2 ARG 38 1HH2 ARG 38 7.378 6.621 5.383 324 2HH2 ARG 38 2HH2 ARG 38 7.731 6.433 7.068 325 H ILE 39 H ILE 39 6.531 12.497 0.951 326 HA ILE 39 HA ILE 39 3.794 12.042 0.417 327 HB ILE 39 HB ILE 39 5.463 12.301 -1.369 328 1HG1 ILE 39 1HG1 ILE 39 4.064 9.612 -1.445 329 2HG1 ILE 39 2HG1 ILE 39 3.342 11.159 -1.876 330 1HG2 ILE 39 1HG2 ILE 39 7.002 10.488 -1.946 331 2HG2 ILE 39 2HG2 ILE 39 6.468 9.579 -0.532 332 3HG2 ILE 39 3HG2 ILE 39 7.323 11.107 -0.326 333 1HD1 ILE 39 1HD1 ILE 39 3.956 9.905 -3.851 334 2HD1 ILE 39 2HD1 ILE 39 5.627 9.812 -3.302 335 3HD1 ILE 39 3HD1 ILE 39 4.924 11.372 -3.729 336 H LEU 40 H LEU 40 2.556 10.188 0.503 337 HA LEU 40 HA LEU 40 3.205 8.258 2.497 338 1HB LEU 40 1HB LEU 40 0.878 8.981 1.859 339 2HB LEU 40 2HB LEU 40 1.062 8.080 0.366 340 HG LEU 40 HG LEU 40 1.356 5.995 1.698 341 1HD1 LEU 40 1HD1 LEU 40 0.654 7.776 4.037 342 2HD1 LEU 40 2HD1 LEU 40 2.198 6.970 3.762 343 3HD1 LEU 40 3HD1 LEU 40 0.750 6.016 4.079 344 1HD2 LEU 40 1HD2 LEU 40 -0.831 6.584 0.785 345 2HD2 LEU 40 2HD2 LEU 40 -1.198 7.516 2.236 346 3HD2 LEU 40 3HD2 LEU 40 -0.995 5.767 2.338 347 H ASP 41 H ASP 41 4.783 6.803 2.182 348 HA ASP 41 HA ASP 41 5.702 6.123 -0.435 349 1HB ASP 41 1HB ASP 41 7.081 6.300 1.751 350 2HB ASP 41 2HB ASP 41 6.521 4.663 2.074 351 H LEU 42 H LEU 42 3.834 5.240 -1.352 352 HA LEU 42 HA LEU 42 2.370 3.042 -0.448 353 1HB LEU 42 1HB LEU 42 2.124 4.732 -2.505 354 2HB LEU 42 2HB LEU 42 2.874 3.415 -3.379 355 HG LEU 42 HG LEU 42 0.285 3.188 -1.821 356 1HD1 LEU 42 1HD1 LEU 42 0.005 4.665 -3.730 357 2HD1 LEU 42 2HD1 LEU 42 -0.810 3.128 -4.017 358 3HD1 LEU 42 3HD1 LEU 42 0.738 3.465 -4.794 359 1HD2 LEU 42 1HD2 LEU 42 1.620 1.267 -3.730 360 2HD2 LEU 42 2HD2 LEU 42 0.018 1.064 -3.026 361 3HD2 LEU 42 3HD2 LEU 42 1.442 1.056 -1.988 362 H TYR 43 H TYR 43 5.476 3.273 -1.926 363 HA TYR 43 HA TYR 43 5.802 0.731 -3.043 364 1HB TYR 43 1HB TYR 43 7.285 2.889 -3.133 365 2HB TYR 43 2HB TYR 43 8.064 2.209 -1.714 366 HD1 TYR 43 HD2 TYR 43 7.973 -0.732 -2.561 367 HD2 TYR 43 HD1 TYR 43 9.034 2.812 -4.661 368 HE1 TYR 43 HE2 TYR 43 9.426 -2.047 -4.041 369 HE2 TYR 43 HE1 TYR 43 10.480 1.521 -6.141 370 HH TYR 43 HH TYR 43 10.355 -1.806 -6.393 371 H SER 44 H SER 44 7.037 1.921 0.073 372 HA SER 44 HA SER 44 7.875 -0.553 1.069 373 1HB SER 44 1HB SER 44 6.992 1.907 2.614 374 2HB SER 44 2HB SER 44 7.929 0.565 3.274 375 HG SER 44 HG SER 44 8.697 2.435 1.283 376 H LEU 45 H LEU 45 4.799 1.145 1.308 377 HA LEU 45 HA LEU 45 3.458 -0.523 3.085 378 1HB LEU 45 1HB LEU 45 2.474 1.553 2.377 379 2HB LEU 45 2HB LEU 45 2.460 1.040 0.700 380 HG LEU 45 HG LEU 45 0.774 -0.697 1.276 381 1HD1 LEU 45 1HD1 LEU 45 1.310 -0.998 3.630 382 2HD1 LEU 45 2HD1 LEU 45 -0.390 -0.579 3.425 383 3HD1 LEU 45 3HD1 LEU 45 0.755 0.640 3.982 384 1HD2 LEU 45 1HD2 LEU 45 -1.110 0.850 1.540 385 2HD2 LEU 45 2HD2 LEU 45 0.063 1.441 0.364 386 3HD2 LEU 45 3HD2 LEU 45 0.010 2.138 1.983 387 H SER 46 H SER 46 3.789 -0.762 -0.442 388 HA SER 46 HA SER 46 2.079 -2.976 -0.785 389 1HB SER 46 1HB SER 46 4.433 -2.155 -2.516 390 2HB SER 46 2HB SER 46 3.084 -3.179 -3.006 391 HG SER 46 HG SER 46 2.450 -0.674 -1.978 392 H LYS 47 H LYS 47 5.630 -2.753 -0.581 393 HA LYS 47 HA LYS 47 6.062 -5.523 -0.876 394 1HB LYS 47 1HB LYS 47 8.336 -5.123 -0.301 395 2HB LYS 47 2HB LYS 47 7.795 -3.714 -1.200 396 1HG LYS 47 1HG LYS 47 7.523 -2.473 0.883 397 2HG LYS 47 2HG LYS 47 8.036 -3.892 1.801 398 1HD LYS 47 1HD LYS 47 10.187 -3.783 0.384 399 2HD LYS 47 2HD LYS 47 9.661 -2.151 -0.039 400 1HE LYS 47 1HE LYS 47 11.164 -2.006 1.830 401 2HE LYS 47 2HE LYS 47 9.536 -1.628 2.396 402 1HZ LYS 47 1HZ LYS 47 10.960 -4.213 2.720 403 2HZ LYS 47 2HZ LYS 47 9.362 -3.943 3.190 404 3HZ LYS 47 3HZ LYS 47 10.620 -3.096 3.939 405 H ILE 48 H ILE 48 5.647 -3.463 1.991 406 HA ILE 48 HA ILE 48 6.298 -5.419 3.910 407 HB ILE 48 HB ILE 48 4.576 -2.947 4.096 408 1HG1 ILE 48 1HG1 ILE 48 7.323 -3.648 5.184 409 2HG1 ILE 48 2HG1 ILE 48 6.987 -2.586 3.821 410 1HG2 ILE 48 1HG2 ILE 48 4.564 -3.238 6.543 411 2HG2 ILE 48 2HG2 ILE 48 5.322 -4.820 6.353 412 3HG2 ILE 48 3HG2 ILE 48 3.698 -4.537 5.723 413 1HD1 ILE 48 1HD1 ILE 48 5.858 -1.024 5.330 414 2HD1 ILE 48 2HD1 ILE 48 7.531 -1.314 5.804 415 3HD1 ILE 48 3HD1 ILE 48 6.219 -2.087 6.691 416 H VAL 49 H VAL 49 3.151 -4.507 2.493 417 HA VAL 49 HA VAL 49 1.567 -6.312 3.931 418 HB VAL 49 HB VAL 49 1.218 -5.329 1.078 419 1HG1 VAL 49 1HG1 VAL 49 -0.775 -6.727 2.877 420 2HG1 VAL 49 2HG1 VAL 49 -0.064 -7.379 1.399 421 3HG1 VAL 49 3HG1 VAL 49 -1.146 -5.988 1.318 422 1HG2 VAL 49 1HG2 VAL 49 1.226 -3.547 2.756 423 2HG2 VAL 49 2HG2 VAL 49 -0.021 -4.392 3.673 424 3HG2 VAL 49 3HG2 VAL 49 -0.383 -3.759 2.067 425 H VAL 50 H VAL 50 3.392 -6.732 0.909 426 HA VAL 50 HA VAL 50 2.682 -9.445 0.480 427 HB VAL 50 HB VAL 50 5.169 -7.965 -0.423 428 1HG1 VAL 50 1HG1 VAL 50 3.971 -10.543 -1.455 429 2HG1 VAL 50 2HG1 VAL 50 5.488 -10.379 -0.572 430 3HG1 VAL 50 3HG1 VAL 50 5.328 -9.680 -2.182 431 1HG2 VAL 50 1HG2 VAL 50 3.964 -7.642 -2.537 432 2HG2 VAL 50 2HG2 VAL 50 3.115 -6.886 -1.188 433 3HG2 VAL 50 3HG2 VAL 50 2.539 -8.418 -1.845 434 H GLU 51 H GLU 51 5.130 -7.903 2.462 435 HA GLU 51 HA GLU 51 6.574 -10.324 3.052 436 1HB GLU 51 1HB GLU 51 6.598 -7.626 4.438 437 2HB GLU 51 2HB GLU 51 7.704 -8.946 4.793 438 1HG GLU 51 1HG GLU 51 8.557 -8.826 2.482 439 2HG GLU 51 2HG GLU 51 7.479 -7.470 2.172 440 H GLU 52 H GLU 52 3.840 -8.637 4.347 441 HA GLU 52 HA GLU 52 3.810 -10.101 6.844 442 1HB GLU 52 1HB GLU 52 1.859 -8.145 5.613 443 2HB GLU 52 2HB GLU 52 1.641 -8.874 7.193 444 1HG GLU 52 1HG GLU 52 3.982 -7.146 6.404 445 2HG GLU 52 2HG GLU 52 2.563 -6.582 7.281 446 H GLY 53 H GLY 53 2.220 -10.230 3.707 447 1HA GLY 53 1HA GLY 53 1.857 -12.487 2.882 448 2HA GLY 53 2HA GLY 53 1.273 -12.923 4.473 449 H GLY 54 H GLY 54 -0.233 -10.083 4.164 450 1HA GLY 54 1HA GLY 54 -2.001 -10.196 2.053 451 2HA GLY 54 2HA GLY 54 -2.697 -11.258 3.266 452 H TYR 55 H TYR 55 -3.361 -8.493 2.057 453 HA TYR 55 HA TYR 55 -3.292 -6.474 3.936 454 1HB TYR 55 1HB TYR 55 -4.123 -6.001 1.755 455 2HB TYR 55 2HB TYR 55 -5.391 -7.212 1.894 456 HD1 TYR 55 HD2 TYR 55 -4.270 -4.035 3.533 457 HD2 TYR 55 HD1 TYR 55 -7.546 -6.487 2.371 458 HE1 TYR 55 HE2 TYR 55 -5.833 -2.291 4.272 459 HE2 TYR 55 HE1 TYR 55 -9.118 -4.746 3.105 460 HH TYR 55 HH TYR 55 -9.233 -2.870 4.542 461 H GLU 56 H GLU 56 -5.971 -8.794 3.521 462 HA GLU 56 HA GLU 56 -7.492 -7.855 5.677 463 1HB GLU 56 1HB GLU 56 -7.509 -10.647 4.500 464 2HB GLU 56 2HB GLU 56 -8.775 -9.937 5.492 465 1HG GLU 56 1HG GLU 56 -9.722 -9.494 3.500 466 2HG GLU 56 2HG GLU 56 -8.653 -8.093 3.538 467 H ALA 57 H ALA 57 -4.921 -10.230 5.519 468 HA ALA 57 HA ALA 57 -5.223 -11.295 8.116 469 1HB ALA 57 1HB ALA 57 -3.822 -12.368 6.409 470 2HB ALA 57 2HB ALA 57 -2.904 -12.056 7.882 471 3HB ALA 57 3HB ALA 57 -2.696 -11.012 6.476 472 H ILE 58 H ILE 58 -3.122 -8.708 6.871 473 HA ILE 58 HA ILE 58 -2.047 -7.875 9.328 474 HB ILE 58 HB ILE 58 -2.661 -6.085 6.964 475 1HG1 ILE 58 1HG1 ILE 58 -0.140 -7.689 7.458 476 2HG1 ILE 58 2HG1 ILE 58 -1.392 -8.141 6.306 477 1HG2 ILE 58 1HG2 ILE 58 -0.540 -5.874 9.098 478 2HG2 ILE 58 2HG2 ILE 58 -2.008 -4.901 9.002 479 3HG2 ILE 58 3HG2 ILE 58 -0.773 -4.759 7.752 480 1HD1 ILE 58 1HD1 ILE 58 -0.993 -6.065 5.073 481 2HD1 ILE 58 2HD1 ILE 58 0.455 -7.065 5.187 482 3HD1 ILE 58 3HD1 ILE 58 0.284 -5.644 6.217 483 H CYS 59 H CYS 59 -5.091 -7.249 7.759 484 HA CYS 59 HA CYS 59 -5.833 -4.953 9.246 485 1HB CYS 59 1HB CYS 59 -6.812 -5.551 7.034 486 2HB CYS 59 2HB CYS 59 -7.617 -6.927 7.779 487 HG CYS 59 HG CYS 59 -9.707 -5.663 8.568 488 H LYS 60 H LYS 60 -6.807 -8.389 9.519 489 HA LYS 60 HA LYS 60 -8.316 -7.832 11.908 490 1HB LYS 60 1HB LYS 60 -7.672 -10.348 10.393 491 2HB LYS 60 2HB LYS 60 -8.454 -10.416 11.967 492 1HG LYS 60 1HG LYS 60 -9.506 -9.009 9.510 493 2HG LYS 60 2HG LYS 60 -10.103 -10.526 10.190 494 1HD LYS 60 1HD LYS 60 -10.725 -9.341 12.260 495 2HD LYS 60 2HD LYS 60 -10.147 -7.827 11.560 496 1HE LYS 60 1HE LYS 60 -12.561 -7.963 11.380 497 2HE LYS 60 2HE LYS 60 -11.836 -8.033 9.776 498 1HZ LYS 60 1HZ LYS 60 -13.640 -9.655 10.122 499 2HZ LYS 60 2HZ LYS 60 -12.715 -10.409 11.317 500 3HZ LYS 60 3HZ LYS 60 -12.169 -10.384 9.719 501 H ASP 61 H ASP 61 -5.081 -8.891 11.192 502 HA ASP 61 HA ASP 61 -4.558 -9.589 13.962 503 1HB ASP 61 1HB ASP 61 -2.784 -9.460 11.518 504 2HB ASP 61 2HB ASP 61 -2.144 -9.756 13.130 505 H ARG 62 H ARG 62 -4.767 -6.762 12.149 506 HA ARG 62 HA ARG 62 -4.427 -4.584 12.682 507 1HB ARG 62 1HB ARG 62 -5.533 -5.292 14.778 508 2HB ARG 62 2HB ARG 62 -3.970 -5.709 15.462 509 1HG ARG 62 1HG ARG 62 -3.301 -3.405 15.509 510 2HG ARG 62 2HG ARG 62 -4.739 -2.920 14.604 511 1HD ARG 62 1HD ARG 62 -4.832 -2.502 17.088 512 2HD ARG 62 2HD ARG 62 -6.171 -3.441 16.429 513 HE ARG 62 HE ARG 62 -4.226 -5.247 17.294 514 1HH1 ARG 62 1HH1 ARG 62 -6.347 -2.849 18.710 515 2HH1 ARG 62 2HH1 ARG 62 -6.518 -3.700 20.210 516 1HH2 ARG 62 1HH2 ARG 62 -4.460 -6.379 19.240 517 2HH2 ARG 62 2HH2 ARG 62 -5.425 -5.712 20.521 518 H ARG 63 H ARG 63 -2.262 -6.109 11.661 519 HA ARG 63 HA ARG 63 0.134 -5.521 13.150 520 1HB ARG 63 1HB ARG 63 -0.271 -6.634 10.361 521 2HB ARG 63 2HB ARG 63 1.293 -6.492 11.155 522 1HG ARG 63 1HG ARG 63 0.757 -8.122 12.759 523 2HG ARG 63 2HG ARG 63 -0.968 -8.028 12.407 524 1HD ARG 63 1HD ARG 63 -0.127 -10.070 11.487 525 2HD ARG 63 2HD ARG 63 -0.502 -8.981 10.155 526 HE ARG 63 HE ARG 63 2.103 -8.517 10.454 527 1HH1 ARG 63 1HH1 ARG 63 0.331 -11.532 10.385 528 2HH1 ARG 63 2HH1 ARG 63 1.632 -12.442 9.696 529 1HH2 ARG 63 1HH2 ARG 63 3.842 -9.722 9.533 530 2HH2 ARG 63 2HH2 ARG 63 3.618 -11.415 9.209 531 H TRP 64 H TRP 64 -1.836 -3.621 11.259 532 HA TRP 64 HA TRP 64 -0.037 -2.061 9.768 533 1HB TRP 64 1HB TRP 64 -2.584 -1.158 11.147 534 2HB TRP 64 2HB TRP 64 -1.735 -0.270 9.889 535 HD1 TRP 64 HD1 TRP 64 -4.637 -2.355 10.247 536 HE1 TRP 64 HE1 TRP 64 -5.328 -3.446 8.025 537 HE3 TRP 64 HE3 TRP 64 -0.318 -1.614 7.567 538 HZ2 TRP 64 HZ2 TRP 64 -4.211 -3.926 5.494 539 HZ3 TRP 64 HZ3 TRP 64 -0.231 -2.422 5.252 540 HH2 TRP 64 HH2 TRP 64 -2.137 -3.559 4.235 541 H ALA 65 H ALA 65 -0.604 -2.265 13.163 542 HA ALA 65 HA ALA 65 0.366 0.197 14.050 543 1HB ALA 65 1HB ALA 65 0.866 -0.955 16.156 544 2HB ALA 65 2HB ALA 65 0.677 -2.515 15.354 545 3HB ALA 65 3HB ALA 65 -0.708 -1.437 15.525 546 H ARG 66 H ARG 66 2.122 -2.847 13.451 547 HA ARG 66 HA ARG 66 4.656 -1.720 14.103 548 1HB ARG 66 1HB ARG 66 5.617 -3.825 13.395 549 2HB ARG 66 2HB ARG 66 4.181 -4.133 14.359 550 1HG ARG 66 1HG ARG 66 2.906 -4.522 12.280 551 2HG ARG 66 2HG ARG 66 4.389 -4.295 11.355 552 1HD ARG 66 1HD ARG 66 3.841 -6.446 13.404 553 2HD ARG 66 2HD ARG 66 3.968 -6.660 11.658 554 HE ARG 66 HE ARG 66 6.194 -5.990 13.473 555 1HH1 ARG 66 1HH1 ARG 66 5.030 -7.186 10.388 556 2HH1 ARG 66 2HH1 ARG 66 6.590 -7.755 9.889 557 1HH2 ARG 66 1HH2 ARG 66 8.232 -6.726 12.818 558 2HH2 ARG 66 2HH2 ARG 66 8.419 -7.486 11.267 559 H VAL 67 H VAL 67 2.808 -2.006 11.126 560 HA VAL 67 HA VAL 67 5.011 -1.504 9.385 561 HB VAL 67 HB VAL 67 3.505 -1.281 7.603 562 1HG1 VAL 67 1HG1 VAL 67 1.860 -3.076 7.856 563 2HG1 VAL 67 2HG1 VAL 67 2.123 -3.057 9.600 564 3HG1 VAL 67 3HG1 VAL 67 3.437 -3.514 8.517 565 1HG2 VAL 67 1HG2 VAL 67 2.158 0.555 8.576 566 2HG2 VAL 67 2HG2 VAL 67 1.239 -0.648 9.479 567 3HG2 VAL 67 3HG2 VAL 67 1.201 -0.648 7.719 568 H ALA 68 H ALA 68 2.611 0.552 10.989 569 HA ALA 68 HA ALA 68 3.462 3.001 9.853 570 1HB ALA 68 1HB ALA 68 2.216 4.072 11.662 571 2HB ALA 68 2HB ALA 68 2.108 2.533 12.518 572 3HB ALA 68 3HB ALA 68 1.288 2.742 10.970 573 H GLN 69 H GLN 69 4.337 1.287 12.831 574 HA GLN 69 HA GLN 69 6.182 3.167 13.826 575 1HB GLN 69 1HB GLN 69 5.221 1.139 15.028 576 2HB GLN 69 2HB GLN 69 6.369 0.155 14.137 577 1HG GLN 69 1HG GLN 69 7.212 2.436 15.913 578 2HG GLN 69 2HG GLN 69 7.000 0.792 16.505 579 1HE2 GLN 69 2HE2 GLN 69 9.387 2.500 16.359 580 2HE2 GLN 69 1HE2 GLN 69 10.556 1.603 15.450 581 H ARG 70 H ARG 70 6.527 0.463 11.600 582 HA ARG 70 HA ARG 70 9.317 0.488 11.274 583 1HB ARG 70 1HB ARG 70 7.482 -1.236 10.560 584 2HB ARG 70 2HB ARG 70 7.400 -0.297 9.082 585 1HG ARG 70 1HG ARG 70 10.007 -1.420 10.061 586 2HG ARG 70 2HG ARG 70 8.867 -2.412 9.159 587 1HD ARG 70 1HD ARG 70 10.060 -1.656 7.393 588 2HD ARG 70 2HD ARG 70 8.971 -0.280 7.529 589 HE ARG 70 HE ARG 70 11.011 0.463 9.110 590 1HH1 ARG 70 1HH1 ARG 70 10.967 -0.879 5.878 591 2HH1 ARG 70 2HH1 ARG 70 12.384 -0.020 5.362 592 1HH2 ARG 70 1HH2 ARG 70 12.898 1.580 8.439 593 2HH2 ARG 70 2HH2 ARG 70 13.479 1.379 6.816 594 H LEU 71 H LEU 71 6.726 2.228 9.618 595 HA LEU 71 HA LEU 71 8.493 3.522 7.747 596 1HB LEU 71 1HB LEU 71 5.574 3.633 8.344 597 2HB LEU 71 2HB LEU 71 6.287 4.999 7.508 598 HG LEU 71 HG LEU 71 7.055 3.529 5.703 599 1HD1 LEU 71 1HD1 LEU 71 7.402 1.479 6.980 600 2HD1 LEU 71 2HD1 LEU 71 6.363 1.198 5.583 601 3HD1 LEU 71 3HD1 LEU 71 5.659 1.310 7.197 602 1HD2 LEU 71 1HD2 LEU 71 4.858 4.571 5.522 603 2HD2 LEU 71 2HD2 LEU 71 4.121 3.186 6.331 604 3HD2 LEU 71 3HD2 LEU 71 4.874 2.988 4.746 605 H ASN 72 H ASN 72 8.442 3.876 10.899 606 HA ASN 72 HA ASN 72 9.494 5.374 12.233 607 1HB ASN 72 1HB ASN 72 9.852 6.988 9.692 608 2HB ASN 72 2HB ASN 72 10.578 7.393 11.242 609 1HD2 ASN 72 2HD2 ASN 72 10.690 5.317 8.483 610 2HD2 ASN 72 1HD2 ASN 72 12.188 4.542 8.869 611 H TYR 73 H TYR 73 6.540 5.559 11.430 612 HA TYR 73 HA TYR 73 5.876 8.318 11.818 613 1HB TYR 73 1HB TYR 73 4.187 5.809 11.989 614 2HB TYR 73 2HB TYR 73 3.538 7.440 12.148 615 HD1 TYR 73 HD1 TYR 73 4.890 8.958 10.094 616 HD2 TYR 73 HD2 TYR 73 3.460 4.951 9.938 617 HE1 TYR 73 HE1 TYR 73 4.681 9.134 7.653 618 HE2 TYR 73 HE2 TYR 73 3.247 5.118 7.496 619 HH TYR 73 HH TYR 73 4.572 7.739 5.710 620 HA PRO 74 HA PRO 74 6.450 8.775 16.105 621 1HB PRO 74 1HB PRO 74 4.439 10.529 16.755 622 2HB PRO 74 2HB PRO 74 5.907 10.993 15.888 623 1HG PRO 74 1HG PRO 74 3.189 10.343 14.794 624 2HG PRO 74 2HG PRO 74 4.277 11.678 14.363 625 1HD PRO 74 1HD PRO 74 4.092 9.483 12.833 626 2HD PRO 74 2HD PRO 74 5.645 10.310 13.071 627 HA PRO 75 HA PRO 75 4.120 6.088 18.748 628 1HB PRO 75 1HB PRO 75 3.901 8.442 20.593 629 2HB PRO 75 2HB PRO 75 4.403 6.783 20.945 630 1HG PRO 75 1HG PRO 75 6.221 8.706 20.722 631 2HG PRO 75 2HG PRO 75 6.529 7.096 20.040 632 1HD PRO 75 1HD PRO 75 5.803 9.639 18.647 633 2HD PRO 75 2HD PRO 75 6.860 8.316 18.108 634 H GLY 76 H GLY 76 2.021 5.558 19.150 635 1HA GLY 76 1HA GLY 76 -0.299 6.214 19.582 636 2HA GLY 76 2HA GLY 76 -0.039 7.584 18.506 637 H LYS 77 H LYS 77 1.360 6.341 16.478 638 HA LYS 77 HA LYS 77 1.186 5.125 14.581 639 1HB LYS 77 1HB LYS 77 -0.203 3.154 16.409 640 2HB LYS 77 2HB LYS 77 0.386 2.788 14.793 641 1HG LYS 77 1HG LYS 77 2.683 3.285 15.529 642 2HG LYS 77 2HG LYS 77 2.079 3.611 17.156 643 1HD LYS 77 1HD LYS 77 1.293 1.319 17.354 644 2HD LYS 77 2HD LYS 77 1.782 0.979 15.694 645 1HE LYS 77 1HE LYS 77 3.452 0.075 17.139 646 2HE LYS 77 2HE LYS 77 4.138 1.503 16.367 647 1HZ LYS 77 1HZ LYS 77 3.046 1.353 19.123 648 2HZ LYS 77 2HZ LYS 77 3.633 2.757 18.393 649 3HZ LYS 77 3HZ LYS 77 4.677 1.465 18.700 650 H ASN 78 H ASN 78 -1.205 6.846 15.575 651 HA ASN 78 HA ASN 78 -3.557 5.685 14.509 652 1HB ASN 78 1HB ASN 78 -4.539 7.918 14.658 653 2HB ASN 78 2HB ASN 78 -3.622 7.553 16.114 654 1HD2 ASN 78 2HD2 ASN 78 -4.416 10.116 15.021 655 2HD2 ASN 78 1HD2 ASN 78 -2.957 11.015 14.785 656 H ILE 79 H ILE 79 -0.908 7.406 13.083 657 HA ILE 79 HA ILE 79 -1.969 8.099 10.595 658 HB ILE 79 HB ILE 79 0.825 7.179 11.328 659 1HG1 ILE 79 1HG1 ILE 79 -0.285 9.951 10.784 660 2HG1 ILE 79 2HG1 ILE 79 0.014 9.282 12.387 661 1HG2 ILE 79 1HG2 ILE 79 1.574 8.174 9.194 662 2HG2 ILE 79 2HG2 ILE 79 -0.111 8.418 8.732 663 3HG2 ILE 79 3HG2 ILE 79 0.516 6.783 8.955 664 1HD1 ILE 79 1HD1 ILE 79 2.397 9.150 11.885 665 2HD1 ILE 79 2HD1 ILE 79 1.786 10.794 11.706 666 3HD1 ILE 79 3HD1 ILE 79 2.098 9.809 10.277 667 H GLY 80 H GLY 80 -1.190 4.995 11.940 668 1HA GLY 80 1HA GLY 80 -1.010 3.439 9.608 669 2HA GLY 80 2HA GLY 80 -1.551 2.862 11.179 670 H SER 81 H SER 81 -3.797 4.661 11.382 671 HA SER 81 HA SER 81 -5.756 3.181 9.936 672 1HB SER 81 1HB SER 81 -6.196 4.224 12.158 673 2HB SER 81 2HB SER 81 -6.076 5.817 11.412 674 HG SER 81 HG SER 81 -7.929 5.443 10.292 675 H LEU 82 H LEU 82 -4.341 6.400 9.618 676 HA LEU 82 HA LEU 82 -5.785 7.358 7.428 677 1HB LEU 82 1HB LEU 82 -4.223 8.681 8.842 678 2HB LEU 82 2HB LEU 82 -2.872 7.815 8.151 679 HG LEU 82 HG LEU 82 -3.333 10.193 7.315 680 1HD1 LEU 82 1HD1 LEU 82 -3.075 7.973 5.288 681 2HD1 LEU 82 2HD1 LEU 82 -1.762 8.703 6.212 682 3HD1 LEU 82 3HD1 LEU 82 -2.649 9.667 5.032 683 1HD2 LEU 82 1HD2 LEU 82 -5.747 9.979 7.035 684 2HD2 LEU 82 2HD2 LEU 82 -5.506 8.759 5.783 685 3HD2 LEU 82 3HD2 LEU 82 -4.967 10.417 5.515 686 H LEU 83 H LEU 83 -2.816 5.470 7.588 687 HA LEU 83 HA LEU 83 -2.309 5.147 4.860 688 1HB LEU 83 1HB LEU 83 -0.691 4.613 6.614 689 2HB LEU 83 2HB LEU 83 -1.718 3.318 7.198 690 HG LEU 83 HG LEU 83 -1.367 2.100 5.072 691 1HD1 LEU 83 1HD1 LEU 83 0.389 2.836 3.530 692 2HD1 LEU 83 2HD1 LEU 83 0.569 4.332 4.447 693 3HD1 LEU 83 3HD1 LEU 83 -0.940 3.992 3.600 694 1HD2 LEU 83 1HD2 LEU 83 1.164 2.888 6.521 695 2HD2 LEU 83 2HD2 LEU 83 0.964 1.466 5.497 696 3HD2 LEU 83 3HD2 LEU 83 0.043 1.610 6.993 697 H ARG 84 H ARG 84 -4.074 3.056 7.122 698 HA ARG 84 HA ARG 84 -4.808 1.016 5.376 699 1HB ARG 84 1HB ARG 84 -5.079 1.296 7.978 700 2HB ARG 84 2HB ARG 84 -6.656 1.947 7.566 701 1HG ARG 84 1HG ARG 84 -5.639 -0.815 6.895 702 2HG ARG 84 2HG ARG 84 -6.787 -0.410 8.168 703 1HD ARG 84 1HD ARG 84 -7.198 -0.151 5.188 704 2HD ARG 84 2HD ARG 84 -7.979 -1.298 6.274 705 HE ARG 84 HE ARG 84 -8.525 1.341 7.122 706 1HH1 ARG 84 1HH1 ARG 84 -9.362 -0.938 4.597 707 2HH1 ARG 84 2HH1 ARG 84 -10.914 -0.214 4.284 708 1HH2 ARG 84 1HH2 ARG 84 -10.565 2.310 6.690 709 2HH2 ARG 84 2HH2 ARG 84 -11.592 1.631 5.468 710 H SER 85 H SER 85 -6.591 3.969 6.258 711 HA SER 85 HA SER 85 -8.878 3.514 4.730 712 1HB SER 85 1HB SER 85 -7.623 6.167 5.493 713 2HB SER 85 2HB SER 85 -9.298 5.927 4.985 714 HG SER 85 HG SER 85 -8.324 5.748 7.426 715 H HIS 86 H HIS 86 -5.815 5.100 3.868 716 HA HIS 86 HA HIS 86 -6.659 5.783 1.220 717 1HB HIS 86 1HB HIS 86 -3.904 5.533 2.449 718 2HB HIS 86 2HB HIS 86 -4.173 6.047 0.787 719 HD1 HIS 86 HD1 HIS 86 -6.854 7.703 2.018 720 HD2 HIS 86 HD2 HIS 86 -2.800 8.167 2.810 721 HE1 HIS 86 HE1 HIS 86 -6.592 10.064 2.832 722 HE2 HIS 86 HE2 HIS 86 -4.127 10.338 3.279 723 H TYR 87 H TYR 87 -5.165 2.969 2.674 724 HA TYR 87 HA TYR 87 -4.365 1.601 0.365 725 1HB TYR 87 1HB TYR 87 -3.874 0.953 2.773 726 2HB TYR 87 2HB TYR 87 -5.513 0.325 2.869 727 HD1 TYR 87 HD2 TYR 87 -6.097 -1.390 0.839 728 HD2 TYR 87 HD1 TYR 87 -2.195 -0.569 2.343 729 HE1 TYR 87 HE2 TYR 87 -5.304 -3.537 -0.050 730 HE2 TYR 87 HE1 TYR 87 -1.397 -2.714 1.450 731 HH TYR 87 HH TYR 87 -2.490 -4.999 0.827 732 H GLU 88 H GLU 88 -7.422 1.618 2.127 733 HA GLU 88 HA GLU 88 -8.817 -0.354 0.809 734 1HB GLU 88 1HB GLU 88 -9.600 0.791 2.840 735 2HB GLU 88 2HB GLU 88 -9.902 2.251 1.906 736 1HG GLU 88 1HG GLU 88 -11.564 0.964 0.561 737 2HG GLU 88 2HG GLU 88 -11.326 -0.397 1.656 738 H ARG 89 H ARG 89 -8.125 2.902 -0.304 739 HA ARG 89 HA ARG 89 -10.113 2.623 -2.440 740 1HB ARG 89 1HB ARG 89 -9.909 4.727 -0.984 741 2HB ARG 89 2HB ARG 89 -8.448 5.080 -1.899 742 1HG ARG 89 1HG ARG 89 -10.355 6.278 -2.815 743 2HG ARG 89 2HG ARG 89 -9.750 5.095 -3.977 744 1HD ARG 89 1HD ARG 89 -12.184 5.049 -3.921 745 2HD ARG 89 2HD ARG 89 -11.534 3.532 -3.295 746 HE ARG 89 HE ARG 89 -12.740 5.695 -1.689 747 1HH1 ARG 89 1HH1 ARG 89 -11.718 2.342 -1.979 748 2HH1 ARG 89 2HH1 ARG 89 -12.450 1.871 -0.482 749 1HH2 ARG 89 1HH2 ARG 89 -13.702 5.054 0.262 750 2HH2 ARG 89 2HH2 ARG 89 -13.556 3.405 0.800 751 H ILE 90 H ILE 90 -6.648 3.389 -2.068 752 HA ILE 90 HA ILE 90 -6.343 3.343 -4.976 753 HB ILE 90 HB ILE 90 -4.347 4.097 -2.825 754 1HG1 ILE 90 1HG1 ILE 90 -6.251 5.648 -2.915 755 2HG1 ILE 90 2HG1 ILE 90 -4.788 6.423 -3.510 756 1HG2 ILE 90 1HG2 ILE 90 -3.030 5.079 -4.658 757 2HG2 ILE 90 2HG2 ILE 90 -4.187 4.440 -5.825 758 3HG2 ILE 90 3HG2 ILE 90 -3.221 3.335 -4.847 759 1HD1 ILE 90 1HD1 ILE 90 -6.714 7.009 -4.860 760 2HD1 ILE 90 2HD1 ILE 90 -7.012 5.305 -5.205 761 3HD1 ILE 90 3HD1 ILE 90 -5.547 6.085 -5.805 762 H VAL 91 H VAL 91 -5.124 1.630 -2.112 763 HA VAL 91 HA VAL 91 -3.209 0.181 -3.774 764 HB VAL 91 HB VAL 91 -3.519 -0.019 -0.779 765 1HG1 VAL 91 1HG1 VAL 91 -2.182 -1.786 -1.765 766 2HG1 VAL 91 2HG1 VAL 91 -1.146 -0.684 -0.861 767 3HG1 VAL 91 3HG1 VAL 91 -1.196 -0.601 -2.622 768 1HG2 VAL 91 1HG2 VAL 91 -1.847 1.944 -2.354 769 2HG2 VAL 91 2HG2 VAL 91 -1.741 1.687 -0.613 770 3HG2 VAL 91 3HG2 VAL 91 -3.224 2.325 -1.320 771 H TYR 92 H TYR 92 -6.276 -0.358 -2.284 772 HA TYR 92 HA TYR 92 -6.094 -3.068 -1.652 773 1HB TYR 92 1HB TYR 92 -8.015 -1.303 -1.232 774 2HB TYR 92 2HB TYR 92 -8.683 -1.984 -2.709 775 HD1 TYR 92 HD2 TYR 92 -7.068 -4.709 -1.432 776 HD2 TYR 92 HD1 TYR 92 -10.376 -2.202 -0.475 777 HE1 TYR 92 HE2 TYR 92 -8.064 -6.525 -0.115 778 HE2 TYR 92 HE1 TYR 92 -11.381 -4.023 0.837 779 HH TYR 92 HH TYR 92 -11.262 -6.496 0.950 780 HA PRO 93 HA PRO 93 -7.454 -3.945 -6.341 781 1HB PRO 93 1HB PRO 93 -5.935 -1.634 -7.483 782 2HB PRO 93 2HB PRO 93 -7.421 -2.398 -8.059 783 1HG PRO 93 1HG PRO 93 -7.511 -0.041 -6.829 784 2HG PRO 93 2HG PRO 93 -8.754 -1.270 -6.521 785 1HD PRO 93 1HD PRO 93 -6.422 -0.464 -4.824 786 2HD PRO 93 2HD PRO 93 -8.071 -0.908 -4.337 787 H TYR 94 H TYR 94 -4.471 -2.330 -5.335 788 HA TYR 94 HA TYR 94 -2.756 -3.931 -6.967 789 1HB TYR 94 1HB TYR 94 -2.286 -1.917 -4.789 790 2HB TYR 94 2HB TYR 94 -0.956 -2.905 -5.386 791 HD1 TYR 94 HD1 TYR 94 -0.105 -2.626 -7.645 792 HD2 TYR 94 HD2 TYR 94 -3.314 -0.202 -6.230 793 HE1 TYR 94 HE1 TYR 94 0.211 -1.098 -9.542 794 HE2 TYR 94 HE2 TYR 94 -2.989 1.333 -8.110 795 HH TYR 94 HH TYR 94 -1.180 1.966 -9.691 796 H GLU 95 H GLU 95 -4.036 -4.227 -3.727 797 HA GLU 95 HA GLU 95 -2.420 -6.264 -2.717 798 1HB GLU 95 1HB GLU 95 -4.083 -5.392 -1.267 799 2HB GLU 95 2HB GLU 95 -5.363 -5.643 -2.438 800 1HG GLU 95 1HG GLU 95 -5.522 -7.180 -0.543 801 2HG GLU 95 2HG GLU 95 -5.299 -8.030 -2.069 802 H MET 96 H MET 96 -5.495 -6.667 -4.446 803 HA MET 96 HA MET 96 -5.240 -9.411 -4.930 804 1HB MET 96 1HB MET 96 -7.375 -8.200 -5.081 805 2HB MET 96 2HB MET 96 -6.796 -7.335 -6.497 806 1HG MET 96 1HG MET 96 -6.684 -9.430 -7.745 807 2HG MET 96 2HG MET 96 -7.237 -10.314 -6.323 808 1HE MET 96 1HE MET 96 -9.429 -8.335 -5.123 809 2HE MET 96 2HE MET 96 -9.691 -10.071 -5.287 810 3HE MET 96 3HE MET 96 -10.894 -8.936 -5.901 811 H TYR 97 H TYR 97 -4.102 -6.619 -6.748 812 HA TYR 97 HA TYR 97 -3.460 -7.990 -9.145 813 1HB TYR 97 1HB TYR 97 -3.712 -5.578 -9.136 814 2HB TYR 97 2HB TYR 97 -2.381 -5.403 -7.998 815 HD1 TYR 97 HD2 TYR 97 -2.890 -7.144 -11.287 816 HD2 TYR 97 HD1 TYR 97 -0.471 -4.521 -8.959 817 HE1 TYR 97 HE2 TYR 97 -1.323 -6.928 -13.168 818 HE2 TYR 97 HE1 TYR 97 1.100 -4.297 -10.837 819 HH TYR 97 HH TYR 97 1.759 -5.567 -12.861 820 H GLN 98 H GLN 98 -1.247 -6.741 -6.630 821 HA GLN 98 HA GLN 98 1.048 -7.978 -7.678 822 1HB GLN 98 1HB GLN 98 0.487 -7.024 -4.859 823 2HB GLN 98 2HB GLN 98 2.074 -7.484 -5.456 824 1HG GLN 98 1HG GLN 98 0.470 -5.303 -6.759 825 2HG GLN 98 2HG GLN 98 1.487 -4.992 -5.359 826 1HE2 GLN 98 2HE2 GLN 98 2.368 -7.294 -7.885 827 2HE2 GLN 98 1HE2 GLN 98 3.668 -6.363 -8.522 828 H SER 99 H SER 99 -0.959 -8.902 -4.860 829 HA SER 99 HA SER 99 0.430 -11.309 -4.374 830 1HB SER 99 1HB SER 99 -2.420 -10.567 -3.648 831 2HB SER 99 2HB SER 99 -1.486 -11.887 -2.938 832 HG SER 99 HG SER 99 -1.580 -9.586 -1.944 833 H GLY 100 H GLY 100 -2.451 -10.561 -6.317 834 1HA GLY 100 1HA GLY 100 -3.112 -13.196 -7.050 835 2HA GLY 100 2HA GLY 100 -3.486 -11.753 -7.985 836 H ALA 101 H ALA 101 -0.635 -11.025 -8.196 837 HA ALA 101 HA ALA 101 0.003 -12.505 -10.563 838 1HB ALA 101 1HB ALA 101 1.963 -11.055 -10.705 839 2HB ALA 101 2HB ALA 101 1.654 -10.460 -9.074 840 3HB ALA 101 3HB ALA 101 0.509 -10.113 -10.368 841 H ASN 102 H ASN 102 1.458 -12.243 -7.325 842 HA ASN 102 HA ASN 102 3.450 -14.263 -7.969 843 1HB ASN 102 1HB ASN 102 2.894 -12.800 -5.371 844 2HB ASN 102 2HB ASN 102 4.250 -13.889 -5.646 845 1HD2 ASN 102 2HD2 ASN 102 5.804 -12.355 -5.294 846 2HD2 ASN 102 1HD2 ASN 102 6.091 -11.038 -6.377 847 H LEU 103 H LEU 103 1.041 -13.952 -5.358 848 HA LEU 103 HA LEU 103 -0.152 -16.451 -5.688 849 1HB LEU 103 1HB LEU 103 0.746 -17.653 -3.701 850 2HB LEU 103 2HB LEU 103 1.907 -17.476 -4.998 851 HG LEU 103 HG LEU 103 2.723 -15.397 -3.590 852 1HD1 LEU 103 1HD1 LEU 103 2.526 -15.749 -1.175 853 2HD1 LEU 103 2HD1 LEU 103 1.423 -17.097 -1.460 854 3HD1 LEU 103 3HD1 LEU 103 0.953 -15.461 -1.917 855 1HD2 LEU 103 1HD2 LEU 103 3.322 -18.251 -2.805 856 2HD2 LEU 103 2HD2 LEU 103 4.331 -16.849 -2.445 857 3HD2 LEU 103 3HD2 LEU 103 4.082 -17.348 -4.117 858 H VAL 104 H VAL 104 -1.997 -16.564 -4.419 859 HA VAL 104 HA VAL 104 -2.289 -14.661 -2.224 860 HB VAL 104 HB VAL 104 -2.878 -13.337 -4.185 861 1HG1 VAL 104 1HG1 VAL 104 -3.525 -15.112 -5.720 862 2HG1 VAL 104 2HG1 VAL 104 -4.802 -13.903 -5.600 863 3HG1 VAL 104 3HG1 VAL 104 -4.966 -15.444 -4.759 864 1HG2 VAL 104 1HG2 VAL 104 -5.304 -14.095 -2.553 865 2HG2 VAL 104 2HG2 VAL 104 -5.122 -12.620 -3.504 866 3HG2 VAL 104 3HG2 VAL 104 -4.079 -12.905 -2.111 867 H CYS 105 H CYS 105 -3.299 -15.608 -0.617 868 HA CYS 105 HA CYS 105 -5.577 -17.396 -1.189 869 1HB CYS 105 1HB CYS 105 -3.555 -17.761 1.043 870 2HB CYS 105 2HB CYS 105 -4.958 -18.780 0.739 871 HG CYS 105 HG CYS 105 -1.985 -19.288 -0.276 872 H ASN 106 H ASN 106 -4.753 -14.496 -0.132 873 HA ASN 106 HA ASN 106 -6.143 -14.467 2.428 874 1HB ASN 106 1HB ASN 106 -5.364 -12.088 2.512 875 2HB ASN 106 2HB ASN 106 -4.064 -13.265 2.350 876 1HD2 ASN 106 2HD2 ASN 106 -5.741 -10.636 0.857 877 2HD2 ASN 106 1HD2 ASN 106 -4.670 -10.466 -0.495 878 H THR 107 H THR 107 -6.821 -13.737 -0.864 879 HA THR 107 HA THR 107 -8.785 -11.693 -0.286 880 HB THR 107 HB THR 107 -9.184 -11.809 -2.789 881 HG1 THR 107 HG1 THR 107 -7.570 -12.983 -3.958 882 1HG2 THR 107 1HG2 THR 107 -6.351 -11.306 -1.848 883 2HG2 THR 107 2HG2 THR 107 -7.678 -10.146 -1.800 884 3HG2 THR 107 3HG2 THR 107 -7.056 -10.710 -3.351 885 H ARG 108 H ARG 108 -9.042 -14.769 0.383 886 HA ARG 108 HA ARG 108 -11.434 -15.539 -0.985 887 1HB ARG 108 1HB ARG 108 -9.939 -17.247 -0.092 888 2HB ARG 108 2HB ARG 108 -10.177 -16.646 1.542 889 1HG ARG 108 1HG ARG 108 -11.465 -18.670 1.172 890 2HG ARG 108 2HG ARG 108 -12.538 -17.297 1.445 891 1HD ARG 108 1HD ARG 108 -13.363 -18.707 -0.370 892 2HD ARG 108 2HD ARG 108 -12.917 -17.109 -0.970 893 HE ARG 108 HE ARG 108 -10.734 -18.889 -1.242 894 1HH1 ARG 108 1HH1 ARG 108 -13.872 -18.213 -2.645 895 2HH1 ARG 108 2HH1 ARG 108 -13.455 -18.847 -4.204 896 1HH2 ARG 108 1HH2 ARG 108 -10.183 -19.708 -3.305 897 2HH2 ARG 108 2HH2 ARG 108 -11.374 -19.713 -4.571 898 HA PRO 109 HA PRO 109 -13.727 -13.851 2.818 899 1HB PRO 109 1HB PRO 109 -12.497 -13.075 5.037 900 2HB PRO 109 2HB PRO 109 -12.627 -14.797 4.651 901 1HG PRO 109 1HG PRO 109 -10.282 -12.963 4.345 902 2HG PRO 109 2HG PRO 109 -10.322 -14.649 4.890 903 1HD PRO 109 1HD PRO 109 -9.719 -13.776 2.297 904 2HD PRO 109 2HD PRO 109 -10.149 -15.432 2.760 905 H PHE 110 H PHE 110 -11.958 -12.336 0.854 906 HA PHE 110 HA PHE 110 -11.149 -9.846 1.433 907 1HB PHE 110 1HB PHE 110 -11.288 -10.955 -0.823 908 2HB PHE 110 2HB PHE 110 -12.984 -10.514 -0.888 909 HD1 PHE 110 HD1 PHE 110 -13.429 -7.881 -0.570 910 HD2 PHE 110 HD2 PHE 110 -9.768 -9.621 -1.888 911 HE1 PHE 110 HE1 PHE 110 -12.843 -5.782 -1.704 912 HE2 PHE 110 HE2 PHE 110 -9.176 -7.518 -3.013 913 HZ PHE 110 HZ PHE 110 -10.715 -5.599 -2.927 914 H ASP 111 H ASP 111 -14.481 -10.296 0.269 915 HA ASP 111 HA ASP 111 -15.288 -7.720 1.164 916 1HB ASP 111 1HB ASP 111 -16.308 -8.734 -0.801 917 2HB ASP 111 2HB ASP 111 -16.903 -10.080 0.165 918 H ASN 112 H ASN 112 -15.757 -10.994 2.359 919 HA ASN 112 HA ASN 112 -17.731 -10.536 4.259 920 1HB ASN 112 1HB ASN 112 -17.069 -12.796 3.652 921 2HB ASN 112 2HB ASN 112 -15.467 -12.549 4.342 922 1HD2 ASN 112 2HD2 ASN 112 -15.212 -12.588 6.576 923 2HD2 ASN 112 1HD2 ASN 112 -16.448 -13.137 7.653 924 H GLU 113 H GLU 113 -14.214 -10.229 4.570 925 HA GLU 113 HA GLU 113 -14.584 -9.265 7.311 926 1HB GLU 113 1HB GLU 113 -12.061 -10.117 5.874 927 2HB GLU 113 2HB GLU 113 -12.123 -9.521 7.531 928 1HG GLU 113 1HG GLU 113 -13.769 -11.414 7.987 929 2HG GLU 113 2HG GLU 113 -13.280 -12.070 6.426 930 H GLU 114 H GLU 114 -14.118 -8.060 4.163 931 HA GLU 114 HA GLU 114 -12.923 -5.576 4.743 932 1HB GLU 114 1HB GLU 114 -13.460 -6.330 2.431 933 2HB GLU 114 2HB GLU 114 -15.173 -6.137 2.779 934 1HG GLU 114 1HG GLU 114 -14.661 -3.702 3.273 935 2HG GLU 114 2HG GLU 114 -13.071 -3.995 2.572 936 H LYS 115 H LYS 115 -16.342 -6.569 4.713 937 HA LYS 115 HA LYS 115 -16.870 -4.507 6.766 938 1HB LYS 115 1HB LYS 115 -18.271 -4.150 4.808 939 2HB LYS 115 2HB LYS 115 -18.795 -5.830 4.831 940 1HG LYS 115 1HG LYS 115 -19.897 -5.444 7.003 941 2HG LYS 115 2HG LYS 115 -19.402 -3.751 6.939 942 1HD LYS 115 1HD LYS 115 -20.757 -3.364 4.992 943 2HD LYS 115 2HD LYS 115 -21.118 -5.085 4.841 944 1HE LYS 115 1HE LYS 115 -22.994 -3.827 5.816 945 2HE LYS 115 2HE LYS 115 -22.360 -5.038 6.927 946 1HZ LYS 115 1HZ LYS 115 -21.213 -3.341 8.141 947 2HZ LYS 115 2HZ LYS 115 -22.831 -2.878 7.980 948 3HZ LYS 115 3HZ LYS 115 -21.649 -2.157 7.014 949 H ASP 116 H ASP 116 -15.949 -5.943 8.328 950 HA ASP 116 HA ASP 116 -16.974 -8.539 8.838 951 1HB ASP 116 1HB ASP 116 -14.775 -7.719 9.680 952 2HB ASP 116 2HB ASP 116 -15.622 -6.627 10.772 953 H LYS 117 H LYS 117 -17.606 -5.369 10.286 954 HA LYS 117 HA LYS 117 -20.311 -6.273 10.986 955 1HB LYS 117 1HB LYS 117 -18.465 -4.672 12.790 956 2HB LYS 117 2HB LYS 117 -20.178 -4.931 13.094 957 1HG LYS 117 1HG LYS 117 -18.086 -7.099 12.932 958 2HG LYS 117 2HG LYS 117 -18.758 -6.428 14.419 959 1HD LYS 117 1HD LYS 117 -20.970 -7.247 13.832 960 2HD LYS 117 2HD LYS 117 -20.372 -7.828 12.276 961 1HE LYS 117 1HE LYS 117 -19.452 -8.822 14.979 962 2HE LYS 117 2HE LYS 117 -20.614 -9.640 13.937 963 1HZ LYS 117 1HZ LYS 117 -18.397 -10.571 13.707 964 2HZ LYS 117 2HZ LYS 117 -17.785 -9.066 13.237 965 3HZ LYS 117 3HZ LYS 117 -18.901 -9.866 12.255 Start of MODEL 4 1 1H SER 1 1H SER 1 6.450 14.962 -1.600 2 2H SER 1 2H SER 1 5.842 13.507 -0.999 3 3H SER 1 3H SER 1 5.041 14.957 -0.669 4 HA SER 1 HA SER 1 3.824 13.818 -2.333 5 1HB SER 1 1HB SER 1 5.432 16.116 -3.496 6 2HB SER 1 2HB SER 1 3.892 15.526 -4.126 7 HG SER 1 HG SER 1 2.988 16.040 -2.036 8 H MET 2 H MET 2 4.328 14.031 -5.118 9 HA MET 2 HA MET 2 5.215 11.455 -5.619 10 1HB MET 2 1HB MET 2 5.193 13.747 -7.598 11 2HB MET 2 2HB MET 2 5.147 12.032 -7.985 12 1HG MET 2 1HG MET 2 3.011 13.610 -6.562 13 2HG MET 2 2HG MET 2 2.946 12.997 -8.213 14 1HE MET 2 1HE MET 2 4.177 10.095 -7.962 15 2HE MET 2 2HE MET 2 2.690 10.441 -8.845 16 3HE MET 2 3HE MET 2 2.731 9.133 -7.663 17 H ASN 3 H ASN 3 6.985 14.477 -6.357 18 HA ASN 3 HA ASN 3 9.326 13.261 -7.311 19 1HB ASN 3 1HB ASN 3 8.778 15.662 -7.637 20 2HB ASN 3 2HB ASN 3 9.077 15.952 -5.926 21 1HD2 ASN 3 2HD2 ASN 3 10.752 17.377 -6.256 22 2HD2 ASN 3 1HD2 ASN 3 12.293 16.895 -6.880 23 H GLU 4 H GLU 4 8.265 14.016 -4.080 24 HA GLU 4 HA GLU 4 10.652 13.790 -2.657 25 1HB GLU 4 1HB GLU 4 8.567 14.662 -1.715 26 2HB GLU 4 2HB GLU 4 7.832 13.072 -1.826 27 1HG GLU 4 1HG GLU 4 9.336 12.211 -0.150 28 2HG GLU 4 2HG GLU 4 10.208 13.745 -0.098 29 H LEU 5 H LEU 5 8.590 11.344 -4.052 30 HA LEU 5 HA LEU 5 10.146 9.174 -2.855 31 1HB LEU 5 1HB LEU 5 7.682 8.930 -3.142 32 2HB LEU 5 2HB LEU 5 7.894 9.059 -4.879 33 HG LEU 5 HG LEU 5 9.365 6.990 -4.743 34 1HD1 LEU 5 1HD1 LEU 5 9.865 7.072 -2.361 35 2HD1 LEU 5 2HD1 LEU 5 9.093 5.546 -2.790 36 3HD1 LEU 5 3HD1 LEU 5 8.162 6.807 -1.981 37 1HD2 LEU 5 1HD2 LEU 5 7.485 5.442 -4.683 38 2HD2 LEU 5 2HD2 LEU 5 7.063 6.906 -5.573 39 3HD2 LEU 5 3HD2 LEU 5 6.473 6.675 -3.926 40 H GLU 6 H GLU 6 9.511 10.680 -5.985 41 HA GLU 6 HA GLU 6 11.063 8.912 -7.569 42 1HB GLU 6 1HB GLU 6 9.231 10.360 -8.423 43 2HB GLU 6 2HB GLU 6 10.239 11.773 -8.141 44 1HG GLU 6 1HG GLU 6 11.883 10.871 -9.761 45 2HG GLU 6 2HG GLU 6 10.782 9.533 -10.085 46 H ALA 7 H ALA 7 12.009 11.176 -5.330 47 HA ALA 7 HA ALA 7 14.117 12.601 -6.268 48 1HB ALA 7 1HB ALA 7 14.020 11.172 -3.613 49 2HB ALA 7 2HB ALA 7 13.276 12.729 -3.976 50 3HB ALA 7 3HB ALA 7 15.030 12.562 -4.012 51 H GLN 8 H GLN 8 14.136 9.125 -5.597 52 HA GLN 8 HA GLN 8 16.998 9.011 -6.263 53 1HB GLN 8 1HB GLN 8 15.499 7.616 -4.386 54 2HB GLN 8 2HB GLN 8 15.686 6.445 -5.684 55 1HG GLN 8 1HG GLN 8 17.931 7.912 -4.298 56 2HG GLN 8 2HG GLN 8 17.446 6.246 -3.993 57 1HE2 GLN 8 2HE2 GLN 8 19.992 7.415 -4.950 58 2HE2 GLN 8 1HE2 GLN 8 20.341 6.591 -6.431 59 H THR 9 H THR 9 17.766 7.730 -8.022 60 HA THR 9 HA THR 9 15.845 7.960 -10.212 61 HB THR 9 HB THR 9 18.863 7.808 -10.376 62 HG1 THR 9 HG1 THR 9 17.093 9.941 -9.883 63 1HG2 THR 9 1HG2 THR 9 18.544 8.820 -12.589 64 2HG2 THR 9 2HG2 THR 9 16.797 8.773 -12.365 65 3HG2 THR 9 3HG2 THR 9 17.712 7.270 -12.476 66 H ARG 10 H ARG 10 15.510 6.477 -11.741 67 HA ARG 10 HA ARG 10 15.279 4.504 -12.810 68 1HB ARG 10 1HB ARG 10 18.070 4.051 -11.749 69 2HB ARG 10 2HB ARG 10 17.277 3.000 -12.911 70 1HG ARG 10 1HG ARG 10 17.151 4.863 -14.504 71 2HG ARG 10 2HG ARG 10 17.972 5.902 -13.335 72 1HD ARG 10 1HD ARG 10 19.525 5.002 -15.025 73 2HD ARG 10 2HD ARG 10 19.937 4.467 -13.394 74 HE ARG 10 HE ARG 10 18.715 2.823 -15.514 75 1HH1 ARG 10 1HH1 ARG 10 20.281 3.056 -12.379 76 2HH1 ARG 10 2HH1 ARG 10 20.528 1.343 -12.234 77 1HH2 ARG 10 1HH2 ARG 10 19.042 0.570 -15.311 78 2HH2 ARG 10 2HH2 ARG 10 19.810 -0.069 -13.893 79 H VAL 11 H VAL 11 15.329 4.587 -9.513 80 HA VAL 11 HA VAL 11 14.536 1.756 -9.370 81 HB VAL 11 HB VAL 11 16.340 2.208 -7.819 82 1HG1 VAL 11 1HG1 VAL 11 14.612 4.392 -6.654 83 2HG1 VAL 11 2HG1 VAL 11 16.080 4.626 -7.601 84 3HG1 VAL 11 3HG1 VAL 11 16.166 3.852 -6.020 85 1HG2 VAL 11 1HG2 VAL 11 15.283 1.545 -5.701 86 2HG2 VAL 11 2HG2 VAL 11 14.618 0.652 -7.069 87 3HG2 VAL 11 3HG2 VAL 11 13.704 1.981 -6.357 88 H LYS 12 H LYS 12 13.704 5.015 -8.260 89 HA LYS 12 HA LYS 12 11.067 4.152 -7.408 90 1HB LYS 12 1HB LYS 12 12.333 6.904 -7.491 91 2HB LYS 12 2HB LYS 12 10.782 6.524 -6.756 92 1HG LYS 12 1HG LYS 12 13.441 5.394 -5.872 93 2HG LYS 12 2HG LYS 12 12.600 6.743 -5.106 94 1HD LYS 12 1HD LYS 12 10.649 5.166 -4.750 95 2HD LYS 12 2HD LYS 12 11.717 3.859 -5.264 96 1HE LYS 12 1HE LYS 12 12.278 5.725 -2.954 97 2HE LYS 12 2HE LYS 12 11.558 4.126 -2.788 98 1HZ LYS 12 1HZ LYS 12 14.232 4.619 -3.988 99 2HZ LYS 12 2HZ LYS 12 13.549 3.123 -3.592 100 3HZ LYS 12 3HZ LYS 12 13.980 4.205 -2.370 101 H LEU 13 H LEU 13 12.604 5.725 -10.090 102 HA LEU 13 HA LEU 13 10.352 6.875 -11.325 103 1HB LEU 13 1HB LEU 13 13.009 5.938 -12.405 104 2HB LEU 13 2HB LEU 13 11.783 6.633 -13.447 105 HG LEU 13 HG LEU 13 11.872 8.735 -12.167 106 1HD1 LEU 13 1HD1 LEU 13 14.097 7.403 -10.626 107 2HD1 LEU 13 2HD1 LEU 13 12.521 7.875 -9.991 108 3HD1 LEU 13 3HD1 LEU 13 13.658 9.108 -10.531 109 1HD2 LEU 13 1HD2 LEU 13 13.279 8.468 -14.140 110 2HD2 LEU 13 2HD2 LEU 13 14.567 7.787 -13.146 111 3HD2 LEU 13 3HD2 LEU 13 14.078 9.467 -12.926 112 H ASN 14 H ASN 14 12.001 3.772 -11.983 113 HA ASN 14 HA ASN 14 10.239 2.852 -13.951 114 1HB ASN 14 1HB ASN 14 12.429 1.811 -13.523 115 2HB ASN 14 2HB ASN 14 11.855 1.224 -11.966 116 1HD2 ASN 14 2HD2 ASN 14 11.612 0.884 -15.424 117 2HD2 ASN 14 1HD2 ASN 14 10.850 -0.667 -15.421 118 H TYR 15 H TYR 15 10.271 2.263 -10.459 119 HA TYR 15 HA TYR 15 7.982 0.687 -10.287 120 1HB TYR 15 1HB TYR 15 9.518 0.961 -8.403 121 2HB TYR 15 2HB TYR 15 9.090 2.665 -8.273 122 HD1 TYR 15 HD1 TYR 15 7.770 -0.787 -7.877 123 HD2 TYR 15 HD2 TYR 15 7.165 3.352 -7.046 124 HE1 TYR 15 HE1 TYR 15 5.946 -1.364 -6.333 125 HE2 TYR 15 HE2 TYR 15 5.342 2.778 -5.502 126 HH TYR 15 HH TYR 15 4.742 -0.434 -4.461 127 H LEU 16 H LEU 16 8.367 4.203 -10.298 128 HA LEU 16 HA LEU 16 5.681 4.841 -9.704 129 1HB LEU 16 1HB LEU 16 7.567 6.427 -9.476 130 2HB LEU 16 2HB LEU 16 7.726 6.476 -11.220 131 HG LEU 16 HG LEU 16 5.502 7.501 -11.413 132 1HD1 LEU 16 1HD1 LEU 16 4.288 8.238 -9.425 133 2HD1 LEU 16 2HD1 LEU 16 5.476 7.440 -8.393 134 3HD1 LEU 16 3HD1 LEU 16 4.448 6.483 -9.460 135 1HD2 LEU 16 1HD2 LEU 16 6.039 9.677 -10.434 136 2HD2 LEU 16 2HD2 LEU 16 7.454 8.955 -11.198 137 3HD2 LEU 16 3HD2 LEU 16 7.292 8.930 -9.442 138 H ASP 17 H ASP 17 7.415 4.432 -12.774 139 HA ASP 17 HA ASP 17 5.368 5.162 -14.533 140 1HB ASP 17 1HB ASP 17 7.536 3.064 -14.880 141 2HB ASP 17 2HB ASP 17 6.496 3.630 -16.181 142 H GLN 18 H GLN 18 6.278 1.918 -13.414 143 HA GLN 18 HA GLN 18 4.156 0.501 -14.565 144 1HB GLN 18 1HB GLN 18 6.153 -0.594 -13.682 145 2HB GLN 18 2HB GLN 18 5.741 -0.087 -12.050 146 1HG GLN 18 1HG GLN 18 3.614 -1.448 -12.314 147 2HG GLN 18 2HG GLN 18 4.342 -2.118 -13.773 148 1HE2 GLN 18 2HE2 GLN 18 6.134 -1.265 -10.878 149 2HE2 GLN 18 1HE2 GLN 18 6.558 -2.881 -10.440 150 H ILE 19 H ILE 19 4.512 1.715 -11.248 151 HA ILE 19 HA ILE 19 2.158 0.614 -10.230 152 HB ILE 19 HB ILE 19 4.200 1.641 -8.985 153 1HG1 ILE 19 1HG1 ILE 19 2.739 2.170 -6.971 154 2HG1 ILE 19 2HG1 ILE 19 1.347 1.916 -8.023 155 1HG2 ILE 19 1HG2 ILE 19 3.899 3.904 -8.135 156 2HG2 ILE 19 2HG2 ILE 19 2.461 4.100 -9.135 157 3HG2 ILE 19 3HG2 ILE 19 4.039 3.895 -9.894 158 1HD1 ILE 19 1HD1 ILE 19 1.867 -0.061 -6.703 159 2HD1 ILE 19 2HD1 ILE 19 3.481 -0.120 -7.414 160 3HD1 ILE 19 3HD1 ILE 19 2.059 -0.370 -8.429 161 H ALA 20 H ALA 20 2.800 3.787 -11.669 162 HA ALA 20 HA ALA 20 0.225 4.864 -11.130 163 1HB ALA 20 1HB ALA 20 2.246 5.713 -13.209 164 2HB ALA 20 2HB ALA 20 2.177 6.289 -11.544 165 3HB ALA 20 3HB ALA 20 0.862 6.658 -12.658 166 H LYS 21 H LYS 21 1.702 3.422 -14.027 167 HA LYS 21 HA LYS 21 -0.458 3.901 -15.746 168 1HB LYS 21 1HB LYS 21 1.870 3.278 -16.444 169 2HB LYS 21 2HB LYS 21 1.538 1.631 -15.932 170 1HG LYS 21 1HG LYS 21 1.146 1.454 -18.179 171 2HG LYS 21 2HG LYS 21 -0.476 1.832 -17.608 172 1HD LYS 21 1HD LYS 21 1.486 3.849 -18.732 173 2HD LYS 21 2HD LYS 21 0.168 3.110 -19.638 174 1HE LYS 21 1HE LYS 21 -1.428 4.102 -17.996 175 2HE LYS 21 2HE LYS 21 -0.070 4.937 -17.245 176 1HZ LYS 21 1HZ LYS 21 -1.226 6.373 -18.789 177 2HZ LYS 21 2HZ LYS 21 -0.979 5.276 -20.053 178 3HZ LYS 21 3HZ LYS 21 0.339 6.066 -19.349 179 H PHE 22 H PHE 22 0.197 1.207 -13.555 180 HA PHE 22 HA PHE 22 -1.738 -0.596 -14.434 181 1HB PHE 22 1HB PHE 22 -0.178 -1.281 -12.727 182 2HB PHE 22 2HB PHE 22 -0.750 -0.033 -11.623 183 HD1 PHE 22 HD1 PHE 22 -1.994 -2.999 -13.516 184 HD2 PHE 22 HD2 PHE 22 -2.318 -0.627 -9.977 185 HE1 PHE 22 HE1 PHE 22 -3.632 -4.587 -12.598 186 HE2 PHE 22 HE2 PHE 22 -3.950 -2.218 -9.065 187 HZ PHE 22 HZ PHE 22 -4.611 -4.198 -10.373 188 H TRP 23 H TRP 23 -2.108 1.687 -11.739 189 HA TRP 23 HA TRP 23 -4.896 1.168 -11.488 190 1HB TRP 23 1HB TRP 23 -3.545 1.712 -9.555 191 2HB TRP 23 2HB TRP 23 -3.098 3.261 -10.252 192 HD1 TRP 23 HD1 TRP 23 -4.174 5.026 -8.808 193 HE1 TRP 23 HE1 TRP 23 -6.505 5.468 -7.837 194 HE3 TRP 23 HE3 TRP 23 -6.478 0.704 -10.245 195 HZ2 TRP 23 HZ2 TRP 23 -8.998 4.145 -7.664 196 HZ3 TRP 23 HZ3 TRP 23 -8.835 0.367 -9.643 197 HH2 TRP 23 HH2 TRP 23 -10.070 2.049 -8.373 198 H GLU 24 H GLU 24 -2.999 3.502 -13.242 199 HA GLU 24 HA GLU 24 -5.018 5.457 -13.583 200 1HB GLU 24 1HB GLU 24 -2.602 5.859 -14.027 201 2HB GLU 24 2HB GLU 24 -2.694 4.793 -15.422 202 1HG GLU 24 1HG GLU 24 -4.340 6.328 -16.445 203 2HG GLU 24 2HG GLU 24 -4.152 7.409 -15.065 204 H ILE 25 H ILE 25 -3.913 2.777 -15.655 205 HA ILE 25 HA ILE 25 -5.990 3.223 -17.597 206 HB ILE 25 HB ILE 25 -4.071 0.892 -17.329 207 1HG1 ILE 25 1HG1 ILE 25 -2.851 2.971 -17.613 208 2HG1 ILE 25 2HG1 ILE 25 -2.794 2.065 -19.121 209 1HG2 ILE 25 1HG2 ILE 25 -4.555 0.467 -19.699 210 2HG2 ILE 25 2HG2 ILE 25 -5.755 1.759 -19.684 211 3HG2 ILE 25 3HG2 ILE 25 -6.002 0.314 -18.704 212 1HD1 ILE 25 1HD1 ILE 25 -3.143 4.410 -19.560 213 2HD1 ILE 25 2HD1 ILE 25 -4.565 4.426 -18.518 214 3HD1 ILE 25 3HD1 ILE 25 -4.581 3.498 -20.018 215 H GLN 26 H GLN 26 -5.783 1.584 -14.635 216 HA GLN 26 HA GLN 26 -7.692 -0.465 -15.019 217 1HB GLN 26 1HB GLN 26 -6.173 -0.278 -13.048 218 2HB GLN 26 2HB GLN 26 -7.118 1.093 -12.487 219 1HG GLN 26 1HG GLN 26 -7.748 -0.898 -11.280 220 2HG GLN 26 2HG GLN 26 -9.090 -0.359 -12.288 221 1HE2 GLN 26 2HE2 GLN 26 -10.059 -2.362 -12.346 222 2HE2 GLN 26 1HE2 GLN 26 -9.400 -3.702 -13.218 223 H GLY 27 H GLY 27 -7.990 2.899 -15.080 224 1HA GLY 27 1HA GLY 27 -10.072 3.764 -16.000 225 2HA GLY 27 2HA GLY 27 -10.937 2.664 -14.936 226 H SER 28 H SER 28 -8.159 4.356 -13.760 227 HA SER 28 HA SER 28 -9.728 6.465 -12.521 228 1HB SER 28 1HB SER 28 -8.331 4.314 -10.901 229 2HB SER 28 2HB SER 28 -8.915 5.837 -10.227 230 HG SER 28 HG SER 28 -10.332 3.603 -11.096 231 H SER 29 H SER 29 -7.968 7.461 -10.732 232 HA SER 29 HA SER 29 -5.419 7.764 -12.179 233 1HB SER 29 1HB SER 29 -5.484 10.161 -11.231 234 2HB SER 29 2HB SER 29 -6.557 9.799 -12.583 235 HG SER 29 HG SER 29 -8.230 10.099 -11.345 236 H LEU 30 H LEU 30 -3.560 8.049 -10.884 237 HA LEU 30 HA LEU 30 -3.892 6.961 -8.174 238 1HB LEU 30 1HB LEU 30 -2.485 5.668 -9.723 239 2HB LEU 30 2HB LEU 30 -1.444 7.061 -9.950 240 HG LEU 30 HG LEU 30 -0.838 6.958 -7.531 241 1HD1 LEU 30 1HD1 LEU 30 -1.370 4.929 -6.261 242 2HD1 LEU 30 2HD1 LEU 30 -2.411 4.382 -7.575 243 3HD1 LEU 30 3HD1 LEU 30 -2.821 5.843 -6.676 244 1HD2 LEU 30 1HD2 LEU 30 0.603 5.929 -9.212 245 2HD2 LEU 30 2HD2 LEU 30 -0.314 4.425 -9.095 246 3HD2 LEU 30 3HD2 LEU 30 0.619 5.002 -7.711 247 H LYS 31 H LYS 31 -4.092 8.613 -6.757 248 HA LYS 31 HA LYS 31 -1.798 10.465 -6.606 249 1HB LYS 31 1HB LYS 31 -4.604 11.024 -5.603 250 2HB LYS 31 2HB LYS 31 -3.229 12.114 -5.508 251 1HG LYS 31 1HG LYS 31 -3.182 12.142 -8.013 252 2HG LYS 31 2HG LYS 31 -4.690 11.226 -7.990 253 1HD LYS 31 1HD LYS 31 -4.217 13.991 -6.862 254 2HD LYS 31 2HD LYS 31 -5.202 13.568 -8.264 255 1HE LYS 31 1HE LYS 31 -5.751 12.749 -5.405 256 2HE LYS 31 2HE LYS 31 -6.582 14.025 -6.290 257 1HZ LYS 31 1HZ LYS 31 -7.858 11.975 -6.257 258 2HZ LYS 31 2HZ LYS 31 -6.595 11.146 -7.017 259 3HZ LYS 31 3HZ LYS 31 -7.410 12.378 -7.838 260 H ILE 32 H ILE 32 -0.591 9.173 -5.255 261 HA ILE 32 HA ILE 32 -1.728 7.920 -2.942 262 HB ILE 32 HB ILE 32 0.678 7.385 -2.375 263 1HG1 ILE 32 1HG1 ILE 32 1.130 8.737 -5.053 264 2HG1 ILE 32 2HG1 ILE 32 1.827 9.197 -3.504 265 1HG2 ILE 32 1HG2 ILE 32 -0.347 6.551 -5.089 266 2HG2 ILE 32 2HG2 ILE 32 -0.788 5.825 -3.543 267 3HG2 ILE 32 3HG2 ILE 32 0.868 5.696 -4.136 268 1HD1 ILE 32 1HD1 ILE 32 2.396 6.658 -5.019 269 2HD1 ILE 32 2HD1 ILE 32 3.092 7.105 -3.461 270 3HD1 ILE 32 3HD1 ILE 32 3.453 8.065 -4.896 271 HA PRO 33 HA PRO 33 -1.518 11.612 -0.481 272 1HB PRO 33 1HB PRO 33 -2.290 9.916 1.797 273 2HB PRO 33 2HB PRO 33 -3.196 11.208 1.002 274 1HG PRO 33 1HG PRO 33 -3.902 8.613 0.772 275 2HG PRO 33 2HG PRO 33 -4.142 9.779 -0.545 276 1HD PRO 33 1HD PRO 33 -1.954 7.746 -0.192 277 2HD PRO 33 2HD PRO 33 -2.892 8.154 -1.648 278 H ASN 34 H ASN 34 -0.849 12.065 1.922 279 HA ASN 34 HA ASN 34 1.646 10.703 2.619 280 1HB ASN 34 1HB ASN 34 2.824 12.817 2.892 281 2HB ASN 34 2HB ASN 34 2.252 12.673 1.235 282 1HD2 ASN 34 2HD2 ASN 34 2.976 15.045 2.739 283 2HD2 ASN 34 1HD2 ASN 34 1.581 16.069 2.736 284 H VAL 35 H VAL 35 2.350 11.149 4.752 285 HA VAL 35 HA VAL 35 0.451 12.425 6.534 286 HB VAL 35 HB VAL 35 -0.293 10.080 6.540 287 1HG1 VAL 35 1HG1 VAL 35 1.161 8.287 7.350 288 2HG1 VAL 35 2HG1 VAL 35 2.514 9.416 7.432 289 3HG1 VAL 35 3HG1 VAL 35 1.795 9.014 5.872 290 1HG2 VAL 35 1HG2 VAL 35 -0.486 11.354 8.614 291 2HG2 VAL 35 2HG2 VAL 35 1.131 10.840 9.096 292 3HG2 VAL 35 3HG2 VAL 35 -0.166 9.653 8.952 293 H GLU 36 H GLU 36 1.442 13.226 8.424 294 HA GLU 36 HA GLU 36 3.148 14.131 9.623 295 1HB GLU 36 1HB GLU 36 4.474 11.520 8.864 296 2HB GLU 36 2HB GLU 36 5.196 12.694 9.959 297 1HG GLU 36 1HG GLU 36 2.613 11.193 10.358 298 2HG GLU 36 2HG GLU 36 4.122 10.975 11.245 299 H ARG 37 H ARG 37 2.840 14.485 6.735 300 HA ARG 37 HA ARG 37 3.626 15.918 5.199 301 1HB ARG 37 1HB ARG 37 5.164 17.548 5.712 302 2HB ARG 37 2HB ARG 37 4.665 17.048 7.317 303 1HG ARG 37 1HG ARG 37 6.880 15.430 6.653 304 2HG ARG 37 2HG ARG 37 7.291 17.066 6.137 305 1HD ARG 37 1HD ARG 37 6.327 16.259 8.888 306 2HD ARG 37 2HD ARG 37 7.995 16.639 8.447 307 HE ARG 37 HE ARG 37 6.751 18.888 7.732 308 1HH1 ARG 37 1HH1 ARG 37 6.423 16.972 10.646 309 2HH1 ARG 37 2HH1 ARG 37 6.118 18.343 11.664 310 1HH2 ARG 37 1HH2 ARG 37 6.325 20.696 9.058 311 2HH2 ARG 37 2HH2 ARG 37 6.046 20.463 10.755 312 H ARG 38 H ARG 38 4.644 13.001 5.696 313 HA ARG 38 HA ARG 38 6.711 13.085 3.588 314 1HB ARG 38 1HB ARG 38 7.324 12.173 5.911 315 2HB ARG 38 2HB ARG 38 6.280 10.811 5.526 316 1HG ARG 38 1HG ARG 38 7.700 10.488 3.446 317 2HG ARG 38 2HG ARG 38 8.828 11.644 4.161 318 1HD ARG 38 1HD ARG 38 9.575 9.435 4.711 319 2HD ARG 38 2HD ARG 38 8.937 10.175 6.181 320 HE ARG 38 HE ARG 38 6.896 8.861 5.820 321 1HH1 ARG 38 1HH1 ARG 38 9.836 7.847 4.237 322 2HH1 ARG 38 2HH1 ARG 38 9.277 6.234 3.938 323 1HH2 ARG 38 1HH2 ARG 38 6.147 6.724 5.423 324 2HH2 ARG 38 2HH2 ARG 38 7.191 5.602 4.600 325 H ILE 39 H ILE 39 6.377 11.894 1.762 326 HA ILE 39 HA ILE 39 3.739 11.124 1.107 327 HB ILE 39 HB ILE 39 5.293 11.942 -0.579 328 1HG1 ILE 39 1HG1 ILE 39 3.424 10.108 -1.057 329 2HG1 ILE 39 2HG1 ILE 39 4.479 10.700 -2.332 330 1HG2 ILE 39 1HG2 ILE 39 7.368 11.020 0.253 331 2HG2 ILE 39 2HG2 ILE 39 7.138 10.550 -1.431 332 3HG2 ILE 39 3HG2 ILE 39 6.835 9.385 -0.142 333 1HD1 ILE 39 1HD1 ILE 39 4.887 8.150 -0.784 334 2HD1 ILE 39 2HD1 ILE 39 5.877 8.731 -2.124 335 3HD1 ILE 39 3HD1 ILE 39 4.197 8.277 -2.401 336 H LEU 40 H LEU 40 2.745 9.178 1.000 337 HA LEU 40 HA LEU 40 3.688 7.167 2.799 338 1HB LEU 40 1HB LEU 40 1.302 7.748 2.510 339 2HB LEU 40 2HB LEU 40 1.351 7.108 0.878 340 HG LEU 40 HG LEU 40 1.842 4.857 1.792 341 1HD1 LEU 40 1HD1 LEU 40 1.427 6.178 4.479 342 2HD1 LEU 40 2HD1 LEU 40 2.939 5.506 3.868 343 3HD1 LEU 40 3HD1 LEU 40 1.572 4.442 4.197 344 1HD2 LEU 40 1HD2 LEU 40 -0.400 4.429 2.693 345 2HD2 LEU 40 2HD2 LEU 40 -0.458 5.489 1.287 346 3HD2 LEU 40 3HD2 LEU 40 -0.646 6.163 2.906 347 H ASP 41 H ASP 41 5.052 5.549 2.345 348 HA ASP 41 HA ASP 41 5.993 5.074 -0.303 349 1HB ASP 41 1HB ASP 41 6.426 3.443 2.216 350 2HB ASP 41 2HB ASP 41 7.274 3.188 0.698 351 H LEU 42 H LEU 42 4.098 4.462 -1.480 352 HA LEU 42 HA LEU 42 2.564 2.173 -0.971 353 1HB LEU 42 1HB LEU 42 2.485 4.012 -2.901 354 2HB LEU 42 2HB LEU 42 3.418 2.818 -3.778 355 HG LEU 42 HG LEU 42 0.651 2.373 -2.624 356 1HD1 LEU 42 1HD1 LEU 42 0.595 3.905 -4.505 357 2HD1 LEU 42 2HD1 LEU 42 -0.090 2.347 -4.961 358 3HD1 LEU 42 3HD1 LEU 42 1.540 2.778 -5.479 359 1HD2 LEU 42 1HD2 LEU 42 2.333 0.575 -4.376 360 2HD2 LEU 42 2HD2 LEU 42 0.662 0.279 -3.894 361 3HD2 LEU 42 3HD2 LEU 42 1.938 0.298 -2.679 362 H TYR 43 H TYR 43 5.738 2.642 -2.319 363 HA TYR 43 HA TYR 43 6.367 0.131 -3.329 364 1HB TYR 43 1HB TYR 43 7.655 2.454 -3.228 365 2HB TYR 43 2HB TYR 43 8.414 1.731 -1.819 366 HD1 TYR 43 HD2 TYR 43 8.572 -1.140 -2.882 367 HD2 TYR 43 HD1 TYR 43 9.501 2.622 -4.651 368 HE1 TYR 43 HE2 TYR 43 10.199 -2.239 -4.362 369 HE2 TYR 43 HE1 TYR 43 11.125 1.536 -6.131 370 HH TYR 43 HH TYR 43 11.269 -1.794 -6.594 371 H SER 44 H SER 44 7.344 1.412 -0.156 372 HA SER 44 HA SER 44 8.239 -1.022 0.901 373 1HB SER 44 1HB SER 44 8.853 1.232 1.789 374 2HB SER 44 2HB SER 44 7.222 1.393 2.435 375 HG SER 44 HG SER 44 8.953 0.577 3.884 376 H LEU 45 H LEU 45 5.130 0.641 1.122 377 HA LEU 45 HA LEU 45 3.831 -0.982 2.951 378 1HB LEU 45 1HB LEU 45 2.969 1.161 2.063 379 2HB LEU 45 2HB LEU 45 2.672 0.402 0.516 380 HG LEU 45 HG LEU 45 0.662 0.790 2.041 381 1HD1 LEU 45 1HD1 LEU 45 0.566 -0.657 0.078 382 2HD1 LEU 45 2HD1 LEU 45 -0.426 -1.281 1.393 383 3HD1 LEU 45 3HD1 LEU 45 1.136 -2.018 1.046 384 1HD2 LEU 45 1HD2 LEU 45 1.836 -1.583 3.495 385 2HD2 LEU 45 2HD2 LEU 45 0.237 -0.889 3.761 386 3HD2 LEU 45 3HD2 LEU 45 1.678 0.055 4.134 387 H SER 46 H SER 46 4.013 -1.321 -0.591 388 HA SER 46 HA SER 46 2.434 -3.617 -0.811 389 1HB SER 46 1HB SER 46 4.722 -2.682 -2.567 390 2HB SER 46 2HB SER 46 3.554 -3.929 -3.008 391 HG SER 46 HG SER 46 2.181 -2.428 -3.498 392 H LYS 47 H LYS 47 6.001 -3.310 -0.614 393 HA LYS 47 HA LYS 47 6.418 -6.120 -0.740 394 1HB LYS 47 1HB LYS 47 8.726 -5.673 -0.165 395 2HB LYS 47 2HB LYS 47 8.168 -4.494 -1.341 396 1HG LYS 47 1HG LYS 47 7.870 -2.854 0.469 397 2HG LYS 47 2HG LYS 47 8.493 -4.038 1.621 398 1HD LYS 47 1HD LYS 47 9.985 -2.830 -0.717 399 2HD LYS 47 2HD LYS 47 10.264 -2.502 0.993 400 1HE LYS 47 1HE LYS 47 10.901 -4.867 1.317 401 2HE LYS 47 2HE LYS 47 10.678 -5.147 -0.409 402 1HZ LYS 47 1HZ LYS 47 12.682 -3.372 0.868 403 2HZ LYS 47 2HZ LYS 47 12.407 -3.432 -0.801 404 3HZ LYS 47 3HZ LYS 47 12.982 -4.800 0.012 405 H ILE 48 H ILE 48 5.736 -3.937 1.895 406 HA ILE 48 HA ILE 48 6.467 -5.761 3.978 407 HB ILE 48 HB ILE 48 4.763 -3.262 4.001 408 1HG1 ILE 48 1HG1 ILE 48 7.500 -3.872 5.161 409 2HG1 ILE 48 2HG1 ILE 48 7.196 -2.959 3.687 410 1HG2 ILE 48 1HG2 ILE 48 4.767 -3.403 6.460 411 2HG2 ILE 48 2HG2 ILE 48 5.528 -4.991 6.362 412 3HG2 ILE 48 3HG2 ILE 48 3.900 -4.753 5.728 413 1HD1 ILE 48 1HD1 ILE 48 6.373 -2.160 6.471 414 2HD1 ILE 48 2HD1 ILE 48 6.038 -1.247 5.000 415 3HD1 ILE 48 3HD1 ILE 48 7.702 -1.482 5.532 416 H VAL 49 H VAL 49 3.367 -4.874 2.433 417 HA VAL 49 HA VAL 49 1.709 -6.523 3.987 418 HB VAL 49 HB VAL 49 1.405 -5.681 1.081 419 1HG1 VAL 49 1HG1 VAL 49 -0.647 -6.946 2.910 420 2HG1 VAL 49 2HG1 VAL 49 0.070 -7.686 1.478 421 3HG1 VAL 49 3HG1 VAL 49 -0.976 -6.275 1.312 422 1HG2 VAL 49 1HG2 VAL 49 1.437 -3.828 2.691 423 2HG2 VAL 49 2HG2 VAL 49 0.140 -4.598 3.607 424 3HG2 VAL 49 3HG2 VAL 49 -0.160 -4.022 1.966 425 H VAL 50 H VAL 50 3.474 -7.209 0.965 426 HA VAL 50 HA VAL 50 2.704 -9.920 0.738 427 HB VAL 50 HB VAL 50 5.271 -8.604 -0.200 428 1HG1 VAL 50 1HG1 VAL 50 4.006 -11.213 -1.066 429 2HG1 VAL 50 2HG1 VAL 50 5.491 -11.039 -0.130 430 3HG1 VAL 50 3HG1 VAL 50 5.428 -10.465 -1.797 431 1HG2 VAL 50 1HG2 VAL 50 2.664 -9.083 -1.659 432 2HG2 VAL 50 2HG2 VAL 50 4.135 -8.423 -2.374 433 3HG2 VAL 50 3HG2 VAL 50 3.283 -7.522 -1.121 434 H GLU 51 H GLU 51 5.389 -8.336 2.400 435 HA GLU 51 HA GLU 51 6.747 -10.591 3.366 436 1HB GLU 51 1HB GLU 51 7.580 -8.249 3.443 437 2HB GLU 51 2HB GLU 51 6.396 -7.883 4.685 438 1HG GLU 51 1HG GLU 51 7.496 -9.548 6.158 439 2HG GLU 51 2HG GLU 51 8.728 -9.778 4.917 440 H GLU 52 H GLU 52 3.954 -8.847 4.592 441 HA GLU 52 HA GLU 52 3.802 -10.293 7.071 442 1HB GLU 52 1HB GLU 52 1.844 -8.428 5.713 443 2HB GLU 52 2HB GLU 52 1.662 -9.042 7.343 444 1HG GLU 52 1HG GLU 52 3.943 -7.319 6.391 445 2HG GLU 52 2HG GLU 52 2.525 -6.735 7.252 446 H GLY 53 H GLY 53 2.310 -10.514 3.892 447 1HA GLY 53 1HA GLY 53 1.836 -12.761 3.111 448 2HA GLY 53 2HA GLY 53 1.235 -13.143 4.712 449 H GLY 54 H GLY 54 -0.082 -10.233 4.380 450 1HA GLY 54 1HA GLY 54 -1.910 -10.283 2.315 451 2HA GLY 54 2HA GLY 54 -2.629 -11.271 3.575 452 H TYR 55 H TYR 55 -3.007 -8.441 2.284 453 HA TYR 55 HA TYR 55 -2.845 -6.444 4.186 454 1HB TYR 55 1HB TYR 55 -3.497 -5.749 2.060 455 2HB TYR 55 2HB TYR 55 -4.710 -7.010 1.906 456 HD1 TYR 55 HD2 TYR 55 -4.001 -3.855 3.774 457 HD2 TYR 55 HD1 TYR 55 -6.955 -6.502 2.240 458 HE1 TYR 55 HE2 TYR 55 -5.752 -2.244 4.382 459 HE2 TYR 55 HE1 TYR 55 -8.712 -4.893 2.835 460 HH TYR 55 HH TYR 55 -9.103 -3.069 4.286 461 H GLU 56 H GLU 56 -5.558 -8.695 3.670 462 HA GLU 56 HA GLU 56 -7.248 -7.723 5.650 463 1HB GLU 56 1HB GLU 56 -7.953 -9.347 3.943 464 2HB GLU 56 2HB GLU 56 -6.962 -10.586 4.698 465 1HG GLU 56 1HG GLU 56 -8.954 -9.285 6.456 466 2HG GLU 56 2HG GLU 56 -9.608 -10.266 5.149 467 H ALA 57 H ALA 57 -4.711 -10.196 5.886 468 HA ALA 57 HA ALA 57 -5.168 -10.959 8.541 469 1HB ALA 57 1HB ALA 57 -2.542 -10.919 7.038 470 2HB ALA 57 2HB ALA 57 -3.724 -12.228 7.015 471 3HB ALA 57 3HB ALA 57 -2.878 -11.831 8.511 472 H ILE 58 H ILE 58 -3.017 -8.475 7.192 473 HA ILE 58 HA ILE 58 -1.984 -7.566 9.667 474 HB ILE 58 HB ILE 58 -2.356 -5.781 7.260 475 1HG1 ILE 58 1HG1 ILE 58 -0.052 -7.700 7.672 476 2HG1 ILE 58 2HG1 ILE 58 -1.394 -8.003 6.574 477 1HG2 ILE 58 1HG2 ILE 58 -1.508 -4.738 9.307 478 2HG2 ILE 58 2HG2 ILE 58 -0.278 -4.756 8.044 479 3HG2 ILE 58 3HG2 ILE 58 -0.197 -5.917 9.369 480 1HD1 ILE 58 1HD1 ILE 58 0.517 -7.160 5.368 481 2HD1 ILE 58 2HD1 ILE 58 0.568 -5.730 6.397 482 3HD1 ILE 58 3HD1 ILE 58 -0.799 -5.987 5.312 483 H CYS 59 H CYS 59 -4.932 -6.966 7.936 484 HA CYS 59 HA CYS 59 -5.675 -4.557 9.268 485 1HB CYS 59 1HB CYS 59 -6.582 -5.149 7.065 486 2HB CYS 59 2HB CYS 59 -7.367 -6.566 7.754 487 HG CYS 59 HG CYS 59 -9.321 -4.659 7.236 488 H LYS 60 H LYS 60 -6.730 -7.953 9.607 489 HA LYS 60 HA LYS 60 -8.486 -7.389 11.772 490 1HB LYS 60 1HB LYS 60 -7.298 -10.013 10.847 491 2HB LYS 60 2HB LYS 60 -8.589 -9.861 12.032 492 1HG LYS 60 1HG LYS 60 -9.508 -8.407 9.843 493 2HG LYS 60 2HG LYS 60 -8.712 -9.806 9.127 494 1HD LYS 60 1HD LYS 60 -10.891 -9.869 11.224 495 2HD LYS 60 2HD LYS 60 -11.081 -10.249 9.513 496 1HE LYS 60 1HE LYS 60 -9.301 -11.761 11.429 497 2HE LYS 60 2HE LYS 60 -10.925 -12.256 10.957 498 1HZ LYS 60 1HZ LYS 60 -8.620 -11.932 9.110 499 2HZ LYS 60 2HZ LYS 60 -10.177 -12.428 8.672 500 3HZ LYS 60 3HZ LYS 60 -9.233 -13.405 9.678 501 H ASP 61 H ASP 61 -5.140 -8.510 11.567 502 HA ASP 61 HA ASP 61 -4.860 -8.758 14.428 503 1HB ASP 61 1HB ASP 61 -2.821 -8.734 12.187 504 2HB ASP 61 2HB ASP 61 -2.385 -8.911 13.883 505 H ARG 62 H ARG 62 -4.813 -6.225 12.172 506 HA ARG 62 HA ARG 62 -4.400 -4.005 12.267 507 1HB ARG 62 1HB ARG 62 -5.869 -4.244 14.294 508 2HB ARG 62 2HB ARG 62 -4.417 -4.362 15.276 509 1HG ARG 62 1HG ARG 62 -3.798 -2.117 14.790 510 2HG ARG 62 2HG ARG 62 -5.013 -1.987 13.516 511 1HD ARG 62 1HD ARG 62 -5.678 -0.826 15.593 512 2HD ARG 62 2HD ARG 62 -6.796 -2.113 15.144 513 HE ARG 62 HE ARG 62 -4.724 -2.437 17.228 514 1HH1 ARG 62 1HH1 ARG 62 -8.005 -2.876 16.070 515 2HH1 ARG 62 2HH1 ARG 62 -8.530 -3.718 17.492 516 1HH2 ARG 62 1HH2 ARG 62 -5.405 -3.548 19.087 517 2HH2 ARG 62 2HH2 ARG 62 -7.045 -4.112 19.212 518 H ARG 63 H ARG 63 -2.261 -5.763 11.951 519 HA ARG 63 HA ARG 63 -0.052 -5.090 13.647 520 1HB ARG 63 1HB ARG 63 -0.346 -7.252 12.360 521 2HB ARG 63 2HB ARG 63 0.037 -6.359 10.899 522 1HG ARG 63 1HG ARG 63 2.040 -7.390 11.486 523 2HG ARG 63 2HG ARG 63 2.230 -5.735 12.059 524 1HD ARG 63 1HD ARG 63 1.409 -8.086 13.773 525 2HD ARG 63 2HD ARG 63 3.041 -7.429 13.677 526 HE ARG 63 HE ARG 63 0.708 -5.981 14.771 527 1HH1 ARG 63 1HH1 ARG 63 4.149 -6.634 14.700 528 2HH1 ARG 63 2HH1 ARG 63 4.500 -5.575 16.029 529 1HH2 ARG 63 1HH2 ARG 63 1.167 -4.588 16.510 530 2HH2 ARG 63 2HH2 ARG 63 2.801 -4.401 17.058 531 H TRP 64 H TRP 64 -1.625 -3.410 11.231 532 HA TRP 64 HA TRP 64 0.303 -2.102 9.750 533 1HB TRP 64 1HB TRP 64 -2.213 -0.891 10.934 534 2HB TRP 64 2HB TRP 64 -1.270 -0.193 9.621 535 HD1 TRP 64 HD1 TRP 64 -4.254 -2.206 10.151 536 HE1 TRP 64 HE1 TRP 64 -4.938 -3.444 8.004 537 HE3 TRP 64 HE3 TRP 64 0.054 -1.621 7.439 538 HZ2 TRP 64 HZ2 TRP 64 -3.817 -4.092 5.522 539 HZ3 TRP 64 HZ3 TRP 64 0.157 -2.584 5.180 540 HH2 TRP 64 HH2 TRP 64 -1.742 -3.795 4.240 541 H ALA 65 H ALA 65 -0.470 -1.782 13.105 542 HA ALA 65 HA ALA 65 0.592 0.669 13.791 543 1HB ALA 65 1HB ALA 65 0.778 -1.923 15.333 544 2HB ALA 65 2HB ALA 65 -0.574 -0.790 15.364 545 3HB ALA 65 3HB ALA 65 0.996 -0.307 16.004 546 H ARG 66 H ARG 66 2.303 -2.454 13.529 547 HA ARG 66 HA ARG 66 4.838 -1.324 14.202 548 1HB ARG 66 1HB ARG 66 5.718 -3.467 14.003 549 2HB ARG 66 2HB ARG 66 4.051 -3.783 14.439 550 1HG ARG 66 1HG ARG 66 4.288 -5.313 12.771 551 2HG ARG 66 2HG ARG 66 3.768 -3.937 11.797 552 1HD ARG 66 1HD ARG 66 6.034 -3.446 11.169 553 2HD ARG 66 2HD ARG 66 6.662 -4.636 12.306 554 HE ARG 66 HE ARG 66 4.939 -5.875 10.413 555 1HH1 ARG 66 1HH1 ARG 66 8.145 -4.493 10.757 556 2HH1 ARG 66 2HH1 ARG 66 8.852 -5.496 9.527 557 1HH2 ARG 66 1HH2 ARG 66 5.872 -7.188 8.780 558 2HH2 ARG 66 2HH2 ARG 66 7.549 -6.998 8.376 559 H VAL 67 H VAL 67 3.068 -1.827 11.257 560 HA VAL 67 HA VAL 67 5.197 -1.478 9.419 561 HB VAL 67 HB VAL 67 2.256 -0.826 9.046 562 1HG1 VAL 67 1HG1 VAL 67 4.427 -1.311 6.996 563 2HG1 VAL 67 2HG1 VAL 67 3.641 0.230 7.339 564 3HG1 VAL 67 3HG1 VAL 67 2.712 -1.096 6.641 565 1HG2 VAL 67 1HG2 VAL 67 2.078 -3.055 8.032 566 2HG2 VAL 67 2HG2 VAL 67 2.587 -3.154 9.718 567 3HG2 VAL 67 3HG2 VAL 67 3.768 -3.372 8.426 568 H ALA 68 H ALA 68 2.774 0.776 10.725 569 HA ALA 68 HA ALA 68 3.693 3.113 9.501 570 1HB ALA 68 1HB ALA 68 1.522 2.958 10.622 571 2HB ALA 68 2HB ALA 68 2.464 4.310 11.254 572 3HB ALA 68 3HB ALA 68 2.329 2.817 12.184 573 H GLN 69 H GLN 69 4.552 1.627 12.606 574 HA GLN 69 HA GLN 69 6.387 3.601 13.439 575 1HB GLN 69 1HB GLN 69 5.410 1.818 14.898 576 2HB GLN 69 2HB GLN 69 6.437 0.641 14.091 577 1HG GLN 69 1HG GLN 69 8.425 1.816 14.897 578 2HG GLN 69 2HG GLN 69 7.401 3.010 15.693 579 1HE2 GLN 69 2HE2 GLN 69 9.383 1.229 16.853 580 2HE2 GLN 69 1HE2 GLN 69 8.553 0.264 18.022 581 H ARG 70 H ARG 70 6.724 0.742 11.401 582 HA ARG 70 HA ARG 70 9.553 0.829 11.135 583 1HB ARG 70 1HB ARG 70 8.260 -1.191 10.611 584 2HB ARG 70 2HB ARG 70 7.451 -0.354 9.294 585 1HG ARG 70 1HG ARG 70 9.584 -0.141 8.110 586 2HG ARG 70 2HG ARG 70 10.405 -0.968 9.436 587 1HD ARG 70 1HD ARG 70 9.081 -2.980 9.016 588 2HD ARG 70 2HD ARG 70 8.215 -2.154 7.719 589 HE ARG 70 HE ARG 70 10.923 -1.986 7.122 590 1HH1 ARG 70 1HH1 ARG 70 8.508 -4.509 7.446 591 2HH1 ARG 70 2HH1 ARG 70 9.316 -5.597 6.365 592 1HH2 ARG 70 1HH2 ARG 70 11.966 -3.387 5.690 593 2HH2 ARG 70 2HH2 ARG 70 11.280 -4.945 5.343 594 H LEU 71 H LEU 71 6.919 2.476 9.566 595 HA LEU 71 HA LEU 71 8.556 3.569 7.451 596 1HB LEU 71 1HB LEU 71 5.689 3.742 8.230 597 2HB LEU 71 2HB LEU 71 6.342 5.067 7.286 598 HG LEU 71 HG LEU 71 6.992 3.506 5.505 599 1HD1 LEU 71 1HD1 LEU 71 5.689 1.369 7.191 600 2HD1 LEU 71 2HD1 LEU 71 7.414 1.517 6.857 601 3HD1 LEU 71 3HD1 LEU 71 6.289 1.174 5.544 602 1HD2 LEU 71 1HD2 LEU 71 4.745 2.927 4.722 603 2HD2 LEU 71 2HD2 LEU 71 4.792 4.551 5.409 604 3HD2 LEU 71 3HD2 LEU 71 4.104 3.220 6.339 605 H ASN 72 H ASN 72 8.727 4.160 10.577 606 HA ASN 72 HA ASN 72 10.081 5.680 11.595 607 1HB ASN 72 1HB ASN 72 11.483 6.753 10.216 608 2HB ASN 72 2HB ASN 72 10.429 6.377 8.865 609 1HD2 ASN 72 2HD2 ASN 72 8.887 7.953 8.207 610 2HD2 ASN 72 1HD2 ASN 72 9.115 9.626 8.580 611 H TYR 73 H TYR 73 6.954 5.934 10.993 612 HA TYR 73 HA TYR 73 6.426 8.677 11.623 613 1HB TYR 73 1HB TYR 73 4.573 6.279 11.768 614 2HB TYR 73 2HB TYR 73 4.074 7.970 11.806 615 HD1 TYR 73 HD1 TYR 73 5.940 9.028 9.676 616 HD2 TYR 73 HD2 TYR 73 3.486 5.548 9.786 617 HE1 TYR 73 HE1 TYR 73 5.821 9.040 7.224 618 HE2 TYR 73 HE2 TYR 73 3.367 5.554 7.331 619 HH TYR 73 HH TYR 73 3.613 7.248 5.472 620 HA PRO 74 HA PRO 74 6.924 8.774 15.974 621 1HB PRO 74 1HB PRO 74 4.794 10.343 16.751 622 2HB PRO 74 2HB PRO 74 6.271 10.972 16.013 623 1HG PRO 74 1HG PRO 74 3.634 10.342 14.730 624 2HG PRO 74 2HG PRO 74 4.680 11.759 14.500 625 1HD PRO 74 1HD PRO 74 4.652 9.759 12.719 626 2HD PRO 74 2HD PRO 74 6.166 10.592 13.133 627 HA PRO 75 HA PRO 75 4.610 5.626 18.054 628 1HB PRO 75 1HB PRO 75 4.584 7.447 20.423 629 2HB PRO 75 2HB PRO 75 5.140 5.772 20.295 630 1HG PRO 75 1HG PRO 75 6.897 7.763 20.433 631 2HG PRO 75 2HG PRO 75 7.178 6.384 19.352 632 1HD PRO 75 1HD PRO 75 6.229 9.150 18.690 633 2HD PRO 75 2HD PRO 75 7.351 8.098 17.799 634 H GLY 76 H GLY 76 2.568 5.195 19.146 635 1HA GLY 76 1HA GLY 76 0.423 6.159 19.935 636 2HA GLY 76 2HA GLY 76 0.533 7.269 18.574 637 H LYS 77 H LYS 77 1.519 5.336 16.709 638 HA LYS 77 HA LYS 77 0.943 3.663 15.296 639 1HB LYS 77 1HB LYS 77 -0.807 2.665 17.555 640 2HB LYS 77 2HB LYS 77 -0.304 1.738 16.149 641 1HG LYS 77 1HG LYS 77 2.028 1.881 16.873 642 2HG LYS 77 2HG LYS 77 1.540 2.840 18.271 643 1HD LYS 77 1HD LYS 77 0.722 -0.014 17.693 644 2HD LYS 77 2HD LYS 77 1.905 0.504 18.892 645 1HE LYS 77 1HE LYS 77 0.143 1.721 20.098 646 2HE LYS 77 2HE LYS 77 -1.038 1.196 18.898 647 1HZ LYS 77 1HZ LYS 77 -1.121 -0.196 20.858 648 2HZ LYS 77 2HZ LYS 77 0.516 -0.585 20.695 649 3HZ LYS 77 3HZ LYS 77 -0.593 -1.098 19.528 650 H ASN 78 H ASN 78 -1.099 6.044 16.140 651 HA ASN 78 HA ASN 78 -3.637 5.165 15.263 652 1HB ASN 78 1HB ASN 78 -4.228 7.563 15.140 653 2HB ASN 78 2HB ASN 78 -3.414 7.160 16.647 654 1HD2 ASN 78 2HD2 ASN 78 -1.457 8.074 17.110 655 2HD2 ASN 78 1HD2 ASN 78 -0.721 9.302 16.134 656 H ILE 79 H ILE 79 -0.825 6.146 13.540 657 HA ILE 79 HA ILE 79 -1.987 7.051 11.140 658 HB ILE 79 HB ILE 79 0.709 5.721 11.560 659 1HG1 ILE 79 1HG1 ILE 79 1.505 8.147 11.247 660 2HG1 ILE 79 2HG1 ILE 79 -0.170 8.616 11.510 661 1HG2 ILE 79 1HG2 ILE 79 0.061 5.529 9.227 662 2HG2 ILE 79 2HG2 ILE 79 1.352 6.717 9.400 663 3HG2 ILE 79 3HG2 ILE 79 -0.311 7.252 9.164 664 1HD1 ILE 79 1HD1 ILE 79 -0.103 7.616 13.729 665 2HD1 ILE 79 2HD1 ILE 79 1.160 8.830 13.531 666 3HD1 ILE 79 3HD1 ILE 79 1.566 7.115 13.459 667 H GLY 80 H GLY 80 -1.669 3.905 12.497 668 1HA GLY 80 1HA GLY 80 -1.567 2.263 10.243 669 2HA GLY 80 2HA GLY 80 -2.293 1.821 11.779 670 H SER 81 H SER 81 -4.376 3.725 11.838 671 HA SER 81 HA SER 81 -6.343 2.407 10.285 672 1HB SER 81 1HB SER 81 -6.555 5.097 11.673 673 2HB SER 81 2HB SER 81 -7.890 4.037 11.217 674 HG SER 81 HG SER 81 -7.632 3.239 13.142 675 H LEU 82 H LEU 82 -4.737 5.538 9.985 676 HA LEU 82 HA LEU 82 -6.078 6.521 7.726 677 1HB LEU 82 1HB LEU 82 -4.621 7.830 9.257 678 2HB LEU 82 2HB LEU 82 -3.220 6.993 8.632 679 HG LEU 82 HG LEU 82 -3.659 9.380 7.813 680 1HD1 LEU 82 1HD1 LEU 82 -2.843 8.915 5.563 681 2HD1 LEU 82 2HD1 LEU 82 -3.273 7.215 5.749 682 3HD1 LEU 82 3HD1 LEU 82 -2.016 7.920 6.765 683 1HD2 LEU 82 1HD2 LEU 82 -6.052 9.156 7.395 684 2HD2 LEU 82 2HD2 LEU 82 -5.734 7.959 6.139 685 3HD2 LEU 82 3HD2 LEU 82 -5.194 9.624 5.928 686 H LEU 83 H LEU 83 -3.211 4.509 8.077 687 HA LEU 83 HA LEU 83 -2.484 4.316 5.370 688 1HB LEU 83 1HB LEU 83 -0.962 3.687 7.145 689 2HB LEU 83 2HB LEU 83 -2.056 2.434 7.698 690 HG LEU 83 HG LEU 83 -1.664 1.164 5.627 691 1HD1 LEU 83 1HD1 LEU 83 0.100 1.834 4.073 692 2HD1 LEU 83 2HD1 LEU 83 0.307 3.349 4.954 693 3HD1 LEU 83 3HD1 LEU 83 -1.207 3.018 4.111 694 1HD2 LEU 83 1HD2 LEU 83 0.649 0.506 6.090 695 2HD2 LEU 83 2HD2 LEU 83 -0.267 0.722 7.580 696 3HD2 LEU 83 3HD2 LEU 83 0.876 1.963 7.058 697 H ARG 84 H ARG 84 -4.501 2.207 7.409 698 HA ARG 84 HA ARG 84 -4.996 0.240 5.461 699 1HB ARG 84 1HB ARG 84 -5.430 0.104 7.986 700 2HB ARG 84 2HB ARG 84 -6.934 0.958 7.665 701 1HG ARG 84 1HG ARG 84 -7.354 -0.942 5.935 702 2HG ARG 84 2HG ARG 84 -6.117 -1.807 6.849 703 1HD ARG 84 1HD ARG 84 -8.133 -2.483 7.823 704 2HD ARG 84 2HD ARG 84 -7.525 -1.245 8.922 705 HE ARG 84 HE ARG 84 -9.431 -0.457 6.839 706 1HH1 ARG 84 1HH1 ARG 84 -8.811 -1.072 10.231 707 2HH1 ARG 84 2HH1 ARG 84 -10.251 -0.268 10.766 708 1HH2 ARG 84 1HH2 ARG 84 -11.336 0.571 7.545 709 2HH2 ARG 84 2HH2 ARG 84 -11.683 0.660 9.245 710 H SER 85 H SER 85 -6.794 3.171 6.349 711 HA SER 85 HA SER 85 -9.043 2.667 4.718 712 1HB SER 85 1HB SER 85 -9.542 5.081 5.017 713 2HB SER 85 2HB SER 85 -9.133 4.293 6.540 714 HG SER 85 HG SER 85 -7.760 5.878 6.702 715 H HIS 86 H HIS 86 -6.128 4.664 4.158 716 HA HIS 86 HA HIS 86 -6.796 5.389 1.510 717 1HB HIS 86 1HB HIS 86 -4.153 5.237 2.955 718 2HB HIS 86 2HB HIS 86 -4.255 5.724 1.266 719 HD1 HIS 86 HD1 HIS 86 -7.020 7.365 1.826 720 HD2 HIS 86 HD2 HIS 86 -3.351 7.808 3.724 721 HE1 HIS 86 HE1 HIS 86 -7.002 9.712 2.714 722 HE2 HIS 86 HE2 HIS 86 -4.822 9.924 3.958 723 H TYR 87 H TYR 87 -5.240 2.535 2.835 724 HA TYR 87 HA TYR 87 -4.371 1.384 0.415 725 1HB TYR 87 1HB TYR 87 -3.772 0.541 2.707 726 2HB TYR 87 2HB TYR 87 -5.410 -0.079 2.868 727 HD1 TYR 87 HD2 TYR 87 -6.158 -1.715 0.876 728 HD2 TYR 87 HD1 TYR 87 -2.121 -0.920 1.979 729 HE1 TYR 87 HE2 TYR 87 -5.456 -3.811 -0.191 730 HE2 TYR 87 HE1 TYR 87 -1.416 -3.019 0.910 731 HH TYR 87 HH TYR 87 -2.433 -5.209 0.278 732 H GLU 88 H GLU 88 -7.349 0.874 2.271 733 HA GLU 88 HA GLU 88 -8.649 -0.909 0.630 734 1HB GLU 88 1HB GLU 88 -9.303 -0.132 2.939 735 2HB GLU 88 2HB GLU 88 -9.976 1.311 2.204 736 1HG GLU 88 1HG GLU 88 -10.896 -1.447 1.436 737 2HG GLU 88 2HG GLU 88 -11.571 -0.583 2.813 738 H ARG 89 H ARG 89 -8.594 2.621 0.414 739 HA ARG 89 HA ARG 89 -10.463 2.765 -1.742 740 1HB ARG 89 1HB ARG 89 -8.475 4.766 -0.655 741 2HB ARG 89 2HB ARG 89 -9.596 5.131 -1.957 742 1HG ARG 89 1HG ARG 89 -10.418 4.256 0.809 743 2HG ARG 89 2HG ARG 89 -10.338 5.932 0.265 744 1HD ARG 89 1HD ARG 89 -12.598 5.332 0.043 745 2HD ARG 89 2HD ARG 89 -11.948 5.240 -1.592 746 HE ARG 89 HE ARG 89 -11.985 2.758 -0.075 747 1HH1 ARG 89 1HH1 ARG 89 -13.592 4.767 -2.459 748 2HH1 ARG 89 2HH1 ARG 89 -14.555 3.465 -3.081 749 1HH2 ARG 89 1HH2 ARG 89 -13.277 1.067 -0.865 750 2HH2 ARG 89 2HH2 ARG 89 -14.386 1.364 -2.169 751 H ILE 90 H ILE 90 -6.912 3.166 -1.617 752 HA ILE 90 HA ILE 90 -6.881 3.325 -4.551 753 HB ILE 90 HB ILE 90 -4.778 4.073 -2.505 754 1HG1 ILE 90 1HG1 ILE 90 -6.700 5.607 -2.563 755 2HG1 ILE 90 2HG1 ILE 90 -5.257 6.388 -3.199 756 1HG2 ILE 90 1HG2 ILE 90 -3.516 5.046 -4.379 757 2HG2 ILE 90 2HG2 ILE 90 -4.695 4.380 -5.511 758 3HG2 ILE 90 3HG2 ILE 90 -3.694 3.299 -4.542 759 1HD1 ILE 90 1HD1 ILE 90 -7.207 6.952 -4.519 760 2HD1 ILE 90 2HD1 ILE 90 -7.519 5.245 -4.829 761 3HD1 ILE 90 3HD1 ILE 90 -6.067 6.008 -5.480 762 H VAL 91 H VAL 91 -5.224 1.606 -1.900 763 HA VAL 91 HA VAL 91 -3.547 0.226 -3.843 764 HB VAL 91 HB VAL 91 -3.423 -0.022 -0.833 765 1HG1 VAL 91 1HG1 VAL 91 -2.200 -1.755 -2.023 766 2HG1 VAL 91 2HG1 VAL 91 -1.075 -0.641 -1.249 767 3HG1 VAL 91 3HG1 VAL 91 -1.363 -0.536 -2.985 768 1HG2 VAL 91 1HG2 VAL 91 -1.687 1.716 -0.879 769 2HG2 VAL 91 2HG2 VAL 91 -3.245 2.339 -1.423 770 3HG2 VAL 91 3HG2 VAL 91 -1.984 1.965 -2.600 771 H TYR 92 H TYR 92 -6.524 -0.396 -2.438 772 HA TYR 92 HA TYR 92 -6.267 -3.103 -1.714 773 1HB TYR 92 1HB TYR 92 -8.271 -1.382 -1.398 774 2HB TYR 92 2HB TYR 92 -8.869 -2.170 -2.852 775 HD1 TYR 92 HD2 TYR 92 -7.272 -4.829 -1.651 776 HD2 TYR 92 HD1 TYR 92 -10.450 -2.276 -0.411 777 HE1 TYR 92 HE2 TYR 92 -8.179 -6.638 -0.258 778 HE2 TYR 92 HE1 TYR 92 -11.357 -4.079 0.989 779 HH TYR 92 HH TYR 92 -9.637 -6.815 1.808 780 HA PRO 93 HA PRO 93 -7.525 -4.076 -6.401 781 1HB PRO 93 1HB PRO 93 -6.180 -1.672 -7.565 782 2HB PRO 93 2HB PRO 93 -7.616 -2.539 -8.127 783 1HG PRO 93 1HG PRO 93 -7.860 -0.187 -6.909 784 2HG PRO 93 2HG PRO 93 -9.010 -1.498 -6.576 785 1HD PRO 93 1HD PRO 93 -6.711 -0.523 -4.918 786 2HD PRO 93 2HD PRO 93 -8.322 -1.063 -4.404 787 H TYR 94 H TYR 94 -4.686 -2.345 -5.264 788 HA TYR 94 HA TYR 94 -2.791 -3.694 -6.900 789 1HB TYR 94 1HB TYR 94 -2.529 -2.077 -4.369 790 2HB TYR 94 2HB TYR 94 -1.142 -2.846 -5.128 791 HD1 TYR 94 HD2 TYR 94 -3.747 -0.248 -5.588 792 HD2 TYR 94 HD1 TYR 94 -0.143 -1.936 -7.084 793 HE1 TYR 94 HE2 TYR 94 -3.445 1.707 -7.028 794 HE2 TYR 94 HE1 TYR 94 0.161 0.009 -8.544 795 HH TYR 94 HH TYR 94 -1.051 1.807 -9.501 796 H GLU 95 H GLU 95 -4.303 -4.428 -3.818 797 HA GLU 95 HA GLU 95 -2.652 -6.525 -2.976 798 1HB GLU 95 1HB GLU 95 -4.502 -5.726 -1.583 799 2HB GLU 95 2HB GLU 95 -5.672 -6.264 -2.778 800 1HG GLU 95 1HG GLU 95 -5.732 -7.877 -1.078 801 2HG GLU 95 2HG GLU 95 -4.810 -8.613 -2.385 802 H MET 96 H MET 96 -5.652 -6.744 -4.889 803 HA MET 96 HA MET 96 -5.490 -9.364 -5.728 804 1HB MET 96 1HB MET 96 -6.487 -6.969 -7.300 805 2HB MET 96 2HB MET 96 -6.801 -8.644 -7.733 806 1HG MET 96 1HG MET 96 -7.685 -7.329 -5.169 807 2HG MET 96 2HG MET 96 -8.696 -7.560 -6.595 808 1HE MET 96 1HE MET 96 -10.555 -8.827 -5.253 809 2HE MET 96 2HE MET 96 -9.639 -8.558 -3.768 810 3HE MET 96 3HE MET 96 -10.236 -10.171 -4.157 811 H TYR 97 H TYR 97 -3.988 -6.504 -7.129 812 HA TYR 97 HA TYR 97 -2.872 -7.679 -9.420 813 1HB TYR 97 1HB TYR 97 -3.064 -5.307 -9.277 814 2HB TYR 97 2HB TYR 97 -2.134 -5.246 -7.789 815 HD1 TYR 97 HD2 TYR 97 -1.465 -6.811 -11.138 816 HD2 TYR 97 HD1 TYR 97 -0.197 -4.055 -8.146 817 HE1 TYR 97 HE2 TYR 97 0.575 -6.351 -12.429 818 HE2 TYR 97 HE1 TYR 97 1.841 -3.585 -9.432 819 HH TYR 97 HH TYR 97 3.244 -4.721 -11.137 820 H GLN 98 H GLN 98 -1.023 -6.678 -6.517 821 HA GLN 98 HA GLN 98 1.274 -8.096 -7.431 822 1HB GLN 98 1HB GLN 98 1.324 -5.969 -6.094 823 2HB GLN 98 2HB GLN 98 0.835 -6.905 -4.686 824 1HG GLN 98 1HG GLN 98 2.864 -8.182 -4.751 825 2HG GLN 98 2HG GLN 98 3.326 -7.460 -6.291 826 1HE2 GLN 98 2HE2 GLN 98 4.812 -7.498 -3.816 827 2HE2 GLN 98 1HE2 GLN 98 5.072 -5.848 -3.376 828 H SER 99 H SER 99 -1.057 -8.632 -4.782 829 HA SER 99 HA SER 99 0.121 -11.027 -3.853 830 1HB SER 99 1HB SER 99 -1.559 -9.790 -2.527 831 2HB SER 99 2HB SER 99 -2.793 -10.172 -3.725 832 HG SER 99 HG SER 99 -1.341 -12.244 -2.493 833 H GLY 100 H GLY 100 -2.377 -10.360 -6.308 834 1HA GLY 100 1HA GLY 100 -2.937 -13.032 -6.990 835 2HA GLY 100 2HA GLY 100 -3.144 -11.645 -8.048 836 H ALA 101 H ALA 101 -0.299 -10.920 -7.908 837 HA ALA 101 HA ALA 101 0.685 -12.608 -10.003 838 1HB ALA 101 1HB ALA 101 2.102 -10.434 -8.460 839 2HB ALA 101 2HB ALA 101 1.166 -10.205 -9.937 840 3HB ALA 101 3HB ALA 101 2.648 -11.161 -9.972 841 H ASN 102 H ASN 102 1.528 -12.143 -6.590 842 HA ASN 102 HA ASN 102 3.708 -14.066 -6.762 843 1HB ASN 102 1HB ASN 102 2.649 -12.496 -4.393 844 2HB ASN 102 2HB ASN 102 4.092 -13.503 -4.375 845 1HD2 ASN 102 2HD2 ASN 102 5.459 -11.826 -3.860 846 2HD2 ASN 102 1HD2 ASN 102 5.844 -10.545 -4.954 847 H LEU 103 H LEU 103 0.848 -13.725 -4.669 848 HA LEU 103 HA LEU 103 -0.071 -16.361 -4.902 849 1HB LEU 103 1HB LEU 103 0.514 -17.196 -2.617 850 2HB LEU 103 2HB LEU 103 1.879 -17.084 -3.707 851 HG LEU 103 HG LEU 103 2.257 -14.754 -2.512 852 1HD1 LEU 103 1HD1 LEU 103 1.669 -14.818 -0.131 853 2HD1 LEU 103 2HD1 LEU 103 0.726 -16.282 -0.408 854 3HD1 LEU 103 3HD1 LEU 103 0.240 -14.765 -1.162 855 1HD2 LEU 103 1HD2 LEU 103 3.839 -16.613 -2.507 856 2HD2 LEU 103 2HD2 LEU 103 2.941 -17.385 -1.199 857 3HD2 LEU 103 3HD2 LEU 103 3.754 -15.845 -0.922 858 H VAL 104 H VAL 104 -2.154 -16.466 -3.998 859 HA VAL 104 HA VAL 104 -2.997 -14.291 -2.260 860 HB VAL 104 HB VAL 104 -3.040 -13.234 -4.462 861 1HG1 VAL 104 1HG1 VAL 104 -3.338 -15.214 -5.858 862 2HG1 VAL 104 2HG1 VAL 104 -4.559 -13.994 -6.225 863 3HG1 VAL 104 3HG1 VAL 104 -4.986 -15.405 -5.256 864 1HG2 VAL 104 1HG2 VAL 104 -5.364 -12.450 -4.450 865 2HG2 VAL 104 2HG2 VAL 104 -4.708 -12.551 -2.817 866 3HG2 VAL 104 3HG2 VAL 104 -5.814 -13.795 -3.399 867 H CYS 105 H CYS 105 -4.419 -15.019 -0.878 868 HA CYS 105 HA CYS 105 -6.647 -16.688 -1.863 869 1HB CYS 105 1HB CYS 105 -5.152 -18.021 -0.354 870 2HB CYS 105 2HB CYS 105 -5.423 -16.834 0.916 871 HG CYS 105 HG CYS 105 -7.022 -18.825 1.738 872 H ASN 106 H ASN 106 -5.853 -13.792 -1.358 873 HA ASN 106 HA ASN 106 -7.411 -12.925 0.918 874 1HB ASN 106 1HB ASN 106 -5.907 -11.238 -1.098 875 2HB ASN 106 2HB ASN 106 -6.384 -10.779 0.534 876 1HD2 ASN 106 2HD2 ASN 106 -4.186 -10.257 0.950 877 2HD2 ASN 106 1HD2 ASN 106 -3.021 -11.492 1.269 878 H THR 107 H THR 107 -8.221 -13.707 -2.147 879 HA THR 107 HA THR 107 -9.712 -11.479 -3.054 880 HB THR 107 HB THR 107 -10.790 -13.161 -4.592 881 HG1 THR 107 HG1 THR 107 -9.139 -15.205 -4.190 882 1HG2 THR 107 1HG2 THR 107 -8.738 -13.659 -5.850 883 2HG2 THR 107 2HG2 THR 107 -7.767 -13.245 -4.438 884 3HG2 THR 107 3HG2 THR 107 -8.725 -12.002 -5.243 885 H ARG 108 H ARG 108 -10.517 -14.293 -1.091 886 HA ARG 108 HA ARG 108 -13.342 -13.815 -1.198 887 1HB ARG 108 1HB ARG 108 -11.867 -15.596 0.752 888 2HB ARG 108 2HB ARG 108 -13.577 -15.654 0.347 889 1HG ARG 108 1HG ARG 108 -12.838 -16.179 -2.033 890 2HG ARG 108 2HG ARG 108 -11.230 -16.448 -1.355 891 1HD ARG 108 1HD ARG 108 -12.294 -18.571 -1.452 892 2HD ARG 108 2HD ARG 108 -12.296 -18.084 0.244 893 HE ARG 108 HE ARG 108 -14.653 -17.750 -1.505 894 1HH1 ARG 108 1HH1 ARG 108 -13.238 -18.730 1.551 895 2HH1 ARG 108 2HH1 ARG 108 -14.755 -19.242 2.226 896 1HH2 ARG 108 1HH2 ARG 108 -16.633 -18.401 -0.625 897 2HH2 ARG 108 2HH2 ARG 108 -16.699 -19.057 0.982 898 HA PRO 109 HA PRO 109 -12.495 -12.500 3.556 899 1HB PRO 109 1HB PRO 109 -9.861 -11.218 2.922 900 2HB PRO 109 2HB PRO 109 -10.425 -11.941 4.434 901 1HG PRO 109 1HG PRO 109 -8.761 -13.284 2.878 902 2HG PRO 109 2HG PRO 109 -10.120 -14.121 3.656 903 1HD PRO 109 1HD PRO 109 -9.796 -13.264 0.811 904 2HD PRO 109 2HD PRO 109 -10.585 -14.709 1.473 905 H PHE 110 H PHE 110 -11.844 -10.857 0.593 906 HA PHE 110 HA PHE 110 -11.973 -8.186 1.141 907 1HB PHE 110 1HB PHE 110 -11.895 -9.542 -1.115 908 2HB PHE 110 2HB PHE 110 -13.639 -9.331 -1.093 909 HD1 PHE 110 HD1 PHE 110 -14.389 -6.789 -0.653 910 HD2 PHE 110 HD2 PHE 110 -10.649 -8.013 -2.280 911 HE1 PHE 110 HE1 PHE 110 -14.127 -4.585 -1.716 912 HE2 PHE 110 HE2 PHE 110 -10.387 -5.811 -3.344 913 HZ PHE 110 HZ PHE 110 -12.128 -4.093 -3.061 914 H ASP 111 H ASP 111 -14.776 -10.368 0.683 915 HA ASP 111 HA ASP 111 -16.731 -8.381 1.236 916 1HB ASP 111 1HB ASP 111 -18.364 -10.119 1.186 917 2HB ASP 111 2HB ASP 111 -17.156 -10.549 -0.018 918 H ASN 112 H ASN 112 -14.961 -10.655 3.224 919 HA ASN 112 HA ASN 112 -16.506 -10.526 5.556 920 1HB ASN 112 1HB ASN 112 -13.544 -10.991 5.164 921 2HB ASN 112 2HB ASN 112 -14.306 -11.055 6.747 922 1HD2 ASN 112 2HD2 ASN 112 -16.751 -12.275 5.899 923 2HD2 ASN 112 1HD2 ASN 112 -16.383 -13.905 5.465 924 H GLU 113 H GLU 113 -13.826 -8.469 4.435 925 HA GLU 113 HA GLU 113 -13.877 -6.788 6.743 926 1HB GLU 113 1HB GLU 113 -11.882 -6.963 5.277 927 2HB GLU 113 2HB GLU 113 -12.774 -6.150 3.994 928 1HG GLU 113 1HG GLU 113 -13.047 -4.187 5.499 929 2HG GLU 113 2HG GLU 113 -12.024 -4.998 6.680 930 H GLU 114 H GLU 114 -15.214 -6.479 3.462 931 HA GLU 114 HA GLU 114 -16.324 -3.933 3.691 932 1HB GLU 114 1HB GLU 114 -17.427 -6.316 2.181 933 2HB GLU 114 2HB GLU 114 -17.954 -4.654 1.955 934 1HG GLU 114 1HG GLU 114 -15.680 -4.053 1.227 935 2HG GLU 114 2HG GLU 114 -15.199 -5.741 1.399 936 H LYS 115 H LYS 115 -17.641 -7.057 4.633 937 HA LYS 115 HA LYS 115 -20.154 -5.951 5.522 938 1HB LYS 115 1HB LYS 115 -18.963 -8.730 5.748 939 2HB LYS 115 2HB LYS 115 -20.590 -8.306 6.259 940 1HG LYS 115 1HG LYS 115 -21.288 -7.876 4.040 941 2HG LYS 115 2HG LYS 115 -19.630 -7.896 3.440 942 1HD LYS 115 1HD LYS 115 -20.769 -9.944 2.809 943 2HD LYS 115 2HD LYS 115 -19.481 -10.303 3.954 944 1HE LYS 115 1HE LYS 115 -22.339 -9.937 4.834 945 2HE LYS 115 2HE LYS 115 -21.735 -11.490 4.263 946 1HZ LYS 115 1HZ LYS 115 -20.727 -9.958 6.599 947 2HZ LYS 115 2HZ LYS 115 -20.035 -11.389 6.023 948 3HZ LYS 115 3HZ LYS 115 -21.609 -11.396 6.639 949 H ASP 116 H ASP 116 -17.977 -8.106 7.279 950 HA ASP 116 HA ASP 116 -17.184 -6.778 9.487 951 1HB ASP 116 1HB ASP 116 -19.478 -6.025 9.961 952 2HB ASP 116 2HB ASP 116 -20.067 -7.681 9.873 953 H LYS 117 H LYS 117 -19.270 -9.491 8.709 954 HA LYS 117 HA LYS 117 -17.176 -11.412 9.009 955 1HB LYS 117 1HB LYS 117 -17.792 -11.143 11.372 956 2HB LYS 117 2HB LYS 117 -19.482 -11.427 10.982 957 1HG LYS 117 1HG LYS 117 -18.954 -13.719 10.314 958 2HG LYS 117 2HG LYS 117 -17.249 -13.435 10.679 959 1HD LYS 117 1HD LYS 117 -17.798 -13.030 13.022 960 2HD LYS 117 2HD LYS 117 -19.514 -13.242 12.673 961 1HE LYS 117 1HE LYS 117 -19.147 -15.559 12.081 962 2HE LYS 117 2HE LYS 117 -17.406 -15.367 12.281 963 1HZ LYS 117 1HZ LYS 117 -19.415 -15.054 14.446 964 2HZ LYS 117 2HZ LYS 117 -17.737 -14.942 14.618 965 3HZ LYS 117 3HZ LYS 117 -18.448 -16.418 14.205 Start of MODEL 5 1 1H SER 1 1H SER 1 4.743 13.709 -0.697 2 2H SER 1 2H SER 1 5.132 15.284 -0.227 3 3H SER 1 3H SER 1 6.360 14.213 -0.691 4 HA SER 1 HA SER 1 4.221 15.292 -2.428 5 1HB SER 1 1HB SER 1 6.093 16.464 -3.563 6 2HB SER 1 2HB SER 1 5.927 16.962 -1.882 7 HG SER 1 HG SER 1 7.882 16.292 -1.552 8 H MET 2 H MET 2 4.698 14.818 -4.767 9 HA MET 2 HA MET 2 4.981 12.005 -5.100 10 1HB MET 2 1HB MET 2 3.575 13.628 -6.505 11 2HB MET 2 2HB MET 2 5.072 14.046 -7.328 12 1HG MET 2 1HG MET 2 3.876 12.415 -8.622 13 2HG MET 2 2HG MET 2 5.338 11.672 -7.974 14 1HE MET 2 1HE MET 2 2.741 10.109 -9.174 15 2HE MET 2 2HE MET 2 2.629 8.769 -8.032 16 3HE MET 2 3HE MET 2 4.205 9.282 -8.637 17 H ASN 3 H ASN 3 7.050 14.782 -5.834 18 HA ASN 3 HA ASN 3 9.176 13.368 -7.033 19 1HB ASN 3 1HB ASN 3 9.121 15.746 -7.293 20 2HB ASN 3 2HB ASN 3 9.085 16.005 -5.552 21 1HD2 ASN 3 2HD2 ASN 3 11.081 15.034 -8.264 22 2HD2 ASN 3 1HD2 ASN 3 12.600 15.301 -7.483 23 H GLU 4 H GLU 4 8.327 14.010 -3.707 24 HA GLU 4 HA GLU 4 10.634 13.207 -2.378 25 1HB GLU 4 1HB GLU 4 8.587 14.226 -1.369 26 2HB GLU 4 2HB GLU 4 7.768 12.686 -1.559 27 1HG GLU 4 1HG GLU 4 9.439 11.662 -0.048 28 2HG GLU 4 2HG GLU 4 10.147 13.262 0.196 29 H LEU 5 H LEU 5 8.032 11.321 -3.826 30 HA LEU 5 HA LEU 5 9.091 8.764 -3.049 31 1HB LEU 5 1HB LEU 5 6.690 9.151 -3.662 32 2HB LEU 5 2HB LEU 5 7.197 9.442 -5.317 33 HG LEU 5 HG LEU 5 8.222 7.062 -5.202 34 1HD1 LEU 5 1HD1 LEU 5 8.035 6.763 -2.798 35 2HD1 LEU 5 2HD1 LEU 5 7.119 5.531 -3.663 36 3HD1 LEU 5 3HD1 LEU 5 6.277 6.883 -2.905 37 1HD2 LEU 5 1HD2 LEU 5 6.280 7.660 -6.577 38 2HD2 LEU 5 2HD2 LEU 5 5.219 7.367 -5.197 39 3HD2 LEU 5 3HD2 LEU 5 6.143 6.036 -5.901 40 H GLU 6 H GLU 6 9.156 10.805 -5.909 41 HA GLU 6 HA GLU 6 10.513 9.066 -7.664 42 1HB GLU 6 1HB GLU 6 9.159 10.986 -8.381 43 2HB GLU 6 2HB GLU 6 10.316 12.087 -7.647 44 1HG GLU 6 1HG GLU 6 12.033 11.107 -9.243 45 2HG GLU 6 2HG GLU 6 10.672 10.355 -10.076 46 H ALA 7 H ALA 7 11.647 10.800 -5.003 47 HA ALA 7 HA ALA 7 13.975 11.959 -5.383 48 1HB ALA 7 1HB ALA 7 13.033 11.495 -3.179 49 2HB ALA 7 2HB ALA 7 14.760 11.142 -3.232 50 3HB ALA 7 3HB ALA 7 13.587 9.825 -3.290 51 H GLN 8 H GLN 8 13.771 8.374 -5.404 52 HA GLN 8 HA GLN 8 16.629 8.226 -5.957 53 1HB GLN 8 1HB GLN 8 14.740 5.875 -5.865 54 2HB GLN 8 2HB GLN 8 16.473 5.893 -5.576 55 1HG GLN 8 1HG GLN 8 14.323 7.022 -3.793 56 2HG GLN 8 2HG GLN 8 15.326 5.606 -3.489 57 1HE2 GLN 8 2HE2 GLN 8 17.777 6.834 -4.441 58 2HE2 GLN 8 1HE2 GLN 8 18.241 7.990 -3.244 59 H THR 9 H THR 9 17.529 7.353 -7.864 60 HA THR 9 HA THR 9 15.916 8.243 -10.118 61 HB THR 9 HB THR 9 18.889 7.676 -10.059 62 HG1 THR 9 HG1 THR 9 18.623 9.308 -8.622 63 1HG2 THR 9 1HG2 THR 9 18.959 9.182 -12.000 64 2HG2 THR 9 2HG2 THR 9 17.205 9.354 -11.937 65 3HG2 THR 9 3HG2 THR 9 17.925 7.790 -12.320 66 H ARG 10 H ARG 10 15.380 7.125 -11.826 67 HA ARG 10 HA ARG 10 14.927 5.457 -13.260 68 1HB ARG 10 1HB ARG 10 17.441 5.676 -13.554 69 2HB ARG 10 2HB ARG 10 17.601 4.266 -12.516 70 1HG ARG 10 1HG ARG 10 16.217 2.977 -14.110 71 2HG ARG 10 2HG ARG 10 16.163 4.389 -15.163 72 1HD ARG 10 1HD ARG 10 18.668 4.311 -15.252 73 2HD ARG 10 2HD ARG 10 18.589 2.776 -14.380 74 HE ARG 10 HE ARG 10 17.089 3.053 -16.880 75 1HH1 ARG 10 1HH1 ARG 10 19.778 1.605 -15.151 76 2HH1 ARG 10 2HH1 ARG 10 20.104 0.448 -16.401 77 1HH2 ARG 10 1HH2 ARG 10 17.495 1.530 -18.485 78 2HH2 ARG 10 2HH2 ARG 10 18.799 0.396 -18.304 79 H VAL 11 H VAL 11 15.003 4.894 -10.049 80 HA VAL 11 HA VAL 11 13.944 2.175 -10.414 81 HB VAL 11 HB VAL 11 15.722 2.180 -8.777 82 1HG1 VAL 11 1HG1 VAL 11 15.684 4.532 -8.139 83 2HG1 VAL 11 2HG1 VAL 11 15.629 3.491 -6.716 84 3HG1 VAL 11 3HG1 VAL 11 14.161 4.287 -7.284 85 1HG2 VAL 11 1HG2 VAL 11 14.537 1.266 -6.829 86 2HG2 VAL 11 2HG2 VAL 11 13.838 0.693 -8.343 87 3HG2 VAL 11 3HG2 VAL 11 13.029 1.962 -7.423 88 H LYS 12 H LYS 12 13.345 5.294 -8.807 89 HA LYS 12 HA LYS 12 10.631 4.505 -8.136 90 1HB LYS 12 1HB LYS 12 11.998 7.190 -7.799 91 2HB LYS 12 2HB LYS 12 10.463 6.712 -7.086 92 1HG LYS 12 1HG LYS 12 13.126 5.428 -6.497 93 2HG LYS 12 2HG LYS 12 12.332 6.630 -5.481 94 1HD LYS 12 1HD LYS 12 11.047 4.001 -6.213 95 2HD LYS 12 2HD LYS 12 12.077 4.193 -4.797 96 1HE LYS 12 1HE LYS 12 9.625 5.874 -5.311 97 2HE LYS 12 2HE LYS 12 9.601 4.389 -4.369 98 1HZ LYS 12 1HZ LYS 12 10.993 6.922 -3.733 99 2HZ LYS 12 2HZ LYS 12 11.374 5.467 -2.958 100 3HZ LYS 12 3HZ LYS 12 9.817 6.108 -2.820 101 H LEU 13 H LEU 13 12.285 6.210 -10.640 102 HA LEU 13 HA LEU 13 10.062 7.650 -11.683 103 1HB LEU 13 1HB LEU 13 12.682 6.794 -12.926 104 2HB LEU 13 2HB LEU 13 11.478 7.719 -13.801 105 HG LEU 13 HG LEU 13 11.690 9.526 -12.080 106 1HD1 LEU 13 1HD1 LEU 13 12.551 8.215 -10.221 107 2HD1 LEU 13 2HD1 LEU 13 13.652 9.534 -10.614 108 3HD1 LEU 13 3HD1 LEU 13 14.036 7.886 -11.116 109 1HD2 LEU 13 1HD2 LEU 13 12.858 9.661 -14.219 110 2HD2 LEU 13 2HD2 LEU 13 14.230 8.784 -13.538 111 3HD2 LEU 13 3HD2 LEU 13 13.814 10.386 -12.928 112 H ASN 14 H ASN 14 11.650 4.622 -12.712 113 HA ASN 14 HA ASN 14 9.751 3.969 -14.693 114 1HB ASN 14 1HB ASN 14 11.579 2.132 -13.122 115 2HB ASN 14 2HB ASN 14 10.687 1.674 -14.568 116 1HD2 ASN 14 2HD2 ASN 14 12.393 1.247 -15.866 117 2HD2 ASN 14 1HD2 ASN 14 13.545 2.433 -16.377 118 H TYR 15 H TYR 15 10.006 3.162 -11.269 119 HA TYR 15 HA TYR 15 7.794 1.449 -11.086 120 1HB TYR 15 1HB TYR 15 9.420 1.704 -9.262 121 2HB TYR 15 2HB TYR 15 8.894 3.364 -9.009 122 HD1 TYR 15 HD2 TYR 15 7.617 -0.147 -8.972 123 HD2 TYR 15 HD1 TYR 15 7.192 3.810 -7.446 124 HE1 TYR 15 HE2 TYR 15 5.944 -0.951 -7.359 125 HE2 TYR 15 HE1 TYR 15 5.516 3.011 -5.837 126 HH TYR 15 HH TYR 15 4.967 -0.314 -5.243 127 H LEU 16 H LEU 16 8.062 4.967 -10.672 128 HA LEU 16 HA LEU 16 5.438 5.579 -10.034 129 1HB LEU 16 1HB LEU 16 7.452 7.123 -10.092 130 2HB LEU 16 2HB LEU 16 7.235 7.235 -11.824 131 HG LEU 16 HG LEU 16 5.085 8.071 -9.866 132 1HD1 LEU 16 1HD1 LEU 16 7.240 9.793 -11.101 133 2HD1 LEU 16 2HD1 LEU 16 7.102 9.365 -9.395 134 3HD1 LEU 16 3HD1 LEU 16 5.868 10.372 -10.153 135 1HD2 LEU 16 1HD2 LEU 16 4.282 9.420 -11.763 136 2HD2 LEU 16 2HD2 LEU 16 4.304 7.700 -12.147 137 3HD2 LEU 16 3HD2 LEU 16 5.570 8.758 -12.774 138 H ASP 17 H ASP 17 6.966 5.356 -13.221 139 HA ASP 17 HA ASP 17 4.779 5.927 -14.827 140 1HB ASP 17 1HB ASP 17 7.058 5.738 -15.697 141 2HB ASP 17 2HB ASP 17 7.069 4.013 -15.350 142 H GLN 18 H GLN 18 5.957 2.674 -13.944 143 HA GLN 18 HA GLN 18 3.876 1.221 -15.120 144 1HB GLN 18 1HB GLN 18 6.004 0.224 -14.392 145 2HB GLN 18 2HB GLN 18 5.565 0.497 -12.712 146 1HG GLN 18 1HG GLN 18 3.585 -1.006 -13.083 147 2HG GLN 18 2HG GLN 18 4.260 -1.390 -14.665 148 1HE2 GLN 18 2HE2 GLN 18 6.140 -0.843 -11.752 149 2HE2 GLN 18 1HE2 GLN 18 6.722 -2.462 -11.597 150 H ILE 19 H ILE 19 4.293 2.159 -11.727 151 HA ILE 19 HA ILE 19 1.977 0.905 -10.735 152 HB ILE 19 HB ILE 19 4.047 1.752 -9.443 153 1HG1 ILE 19 1HG1 ILE 19 2.634 2.244 -7.371 154 2HG1 ILE 19 2HG1 ILE 19 1.224 2.102 -8.419 155 1HG2 ILE 19 1HG2 ILE 19 4.001 4.064 -10.197 156 2HG2 ILE 19 2HG2 ILE 19 3.873 3.975 -8.441 157 3HG2 ILE 19 3HG2 ILE 19 2.440 4.305 -9.415 158 1HD1 ILE 19 1HD1 ILE 19 1.674 0.036 -7.218 159 2HD1 ILE 19 2HD1 ILE 19 3.281 -0.045 -7.942 160 3HD1 ILE 19 3HD1 ILE 19 1.845 -0.186 -8.959 161 H ALA 20 H ALA 20 2.533 4.037 -12.188 162 HA ALA 20 HA ALA 20 -0.037 5.109 -11.508 163 1HB ALA 20 1HB ALA 20 0.489 6.872 -13.117 164 2HB ALA 20 2HB ALA 20 1.883 5.951 -13.686 165 3HB ALA 20 3HB ALA 20 1.855 6.579 -12.039 166 H LYS 21 H LYS 21 1.381 3.519 -14.342 167 HA LYS 21 HA LYS 21 -0.748 3.898 -16.106 168 1HB LYS 21 1HB LYS 21 1.309 1.683 -16.020 169 2HB LYS 21 2HB LYS 21 0.197 1.932 -17.356 170 1HG LYS 21 1HG LYS 21 2.104 4.076 -16.452 171 2HG LYS 21 2HG LYS 21 2.576 2.823 -17.596 172 1HD LYS 21 1HD LYS 21 1.939 4.678 -18.911 173 2HD LYS 21 2HD LYS 21 0.591 3.550 -19.006 174 1HE LYS 21 1HE LYS 21 -0.643 4.859 -17.357 175 2HE LYS 21 2HE LYS 21 0.724 5.958 -17.187 176 1HZ LYS 21 1HZ LYS 21 0.450 6.609 -19.488 177 2HZ LYS 21 2HZ LYS 21 -0.988 6.859 -18.635 178 3HZ LYS 21 3HZ LYS 21 -0.841 5.532 -19.674 179 H PHE 22 H PHE 22 -0.040 0.987 -14.133 180 HA PHE 22 HA PHE 22 -2.199 -0.522 -15.048 181 1HB PHE 22 1HB PHE 22 -0.495 -1.617 -13.771 182 2HB PHE 22 2HB PHE 22 -0.778 -0.577 -12.378 183 HD1 PHE 22 HD1 PHE 22 -2.524 -3.101 -14.520 184 HD2 PHE 22 HD2 PHE 22 -2.142 -1.327 -10.670 185 HE1 PHE 22 HE1 PHE 22 -4.127 -4.731 -13.609 186 HE2 PHE 22 HE2 PHE 22 -3.743 -2.945 -9.748 187 HZ PHE 22 HZ PHE 22 -4.739 -4.657 -11.223 188 H TRP 23 H TRP 23 -2.046 1.544 -12.156 189 HA TRP 23 HA TRP 23 -4.761 1.114 -11.437 190 1HB TRP 23 1HB TRP 23 -3.081 1.741 -9.780 191 2HB TRP 23 2HB TRP 23 -2.822 3.281 -10.590 192 HD1 TRP 23 HD1 TRP 23 -3.735 5.037 -8.979 193 HE1 TRP 23 HE1 TRP 23 -5.929 5.418 -7.710 194 HE3 TRP 23 HE3 TRP 23 -6.071 0.632 -10.078 195 HZ2 TRP 23 HZ2 TRP 23 -8.337 4.025 -7.213 196 HZ3 TRP 23 HZ3 TRP 23 -8.322 0.238 -9.183 197 HH2 TRP 23 HH2 TRP 23 -9.433 1.898 -7.770 198 H GLU 24 H GLU 24 -3.144 3.429 -13.503 199 HA GLU 24 HA GLU 24 -5.240 5.345 -13.591 200 1HB GLU 24 1HB GLU 24 -2.926 5.857 -14.289 201 2HB GLU 24 2HB GLU 24 -3.087 4.746 -15.642 202 1HG GLU 24 1HG GLU 24 -4.891 6.173 -16.554 203 2HG GLU 24 2HG GLU 24 -4.621 7.309 -15.231 204 H ILE 25 H ILE 25 -4.290 2.700 -15.765 205 HA ILE 25 HA ILE 25 -6.529 3.091 -17.515 206 HB ILE 25 HB ILE 25 -4.671 0.698 -17.383 207 1HG1 ILE 25 1HG1 ILE 25 -3.321 2.703 -17.639 208 2HG1 ILE 25 2HG1 ILE 25 -3.380 1.858 -19.180 209 1HG2 ILE 25 1HG2 ILE 25 -6.673 0.285 -18.704 210 2HG2 ILE 25 2HG2 ILE 25 -5.266 0.414 -19.759 211 3HG2 ILE 25 3HG2 ILE 25 -6.396 1.763 -19.627 212 1HD1 ILE 25 1HD1 ILE 25 -5.089 3.445 -19.957 213 2HD1 ILE 25 2HD1 ILE 25 -3.579 4.238 -19.511 214 3HD1 ILE 25 3HD1 ILE 25 -4.965 4.306 -18.421 215 H GLN 26 H GLN 26 -6.050 1.496 -14.553 216 HA GLN 26 HA GLN 26 -8.078 -0.481 -14.713 217 1HB GLN 26 1HB GLN 26 -6.355 -0.392 -12.925 218 2HB GLN 26 2HB GLN 26 -7.112 1.059 -12.289 219 1HG GLN 26 1HG GLN 26 -7.686 -0.972 -11.019 220 2HG GLN 26 2HG GLN 26 -9.098 -0.168 -11.701 221 1HE2 GLN 26 2HE2 GLN 26 -10.259 -1.174 -13.325 222 2HE2 GLN 26 1HE2 GLN 26 -10.045 -2.842 -13.729 223 H GLY 27 H GLY 27 -8.208 2.853 -14.887 224 1HA GLY 27 1HA GLY 27 -10.245 3.927 -15.520 225 2HA GLY 27 2HA GLY 27 -11.124 2.801 -14.495 226 H SER 28 H SER 28 -8.194 4.390 -13.467 227 HA SER 28 HA SER 28 -9.653 6.384 -11.927 228 1HB SER 28 1HB SER 28 -8.043 4.165 -10.627 229 2HB SER 28 2HB SER 28 -8.567 5.627 -9.785 230 HG SER 28 HG SER 28 -10.328 3.827 -11.102 231 H SER 29 H SER 29 -7.723 7.326 -10.292 232 HA SER 29 HA SER 29 -5.342 7.742 -11.971 233 1HB SER 29 1HB SER 29 -5.371 10.150 -11.197 234 2HB SER 29 2HB SER 29 -6.683 9.714 -12.293 235 HG SER 29 HG SER 29 -7.897 9.312 -10.234 236 H LEU 30 H LEU 30 -3.401 8.021 -10.860 237 HA LEU 30 HA LEU 30 -3.504 7.122 -8.063 238 1HB LEU 30 1HB LEU 30 -2.254 5.693 -9.618 239 2HB LEU 30 2HB LEU 30 -1.220 7.047 -10.041 240 HG LEU 30 HG LEU 30 -0.405 7.127 -7.690 241 1HD1 LEU 30 1HD1 LEU 30 -2.338 6.144 -6.581 242 2HD1 LEU 30 2HD1 LEU 30 -0.869 5.251 -6.190 243 3HD1 LEU 30 3HD1 LEU 30 -2.015 4.594 -7.359 244 1HD2 LEU 30 1HD2 LEU 30 0.859 5.917 -9.388 245 2HD2 LEU 30 2HD2 LEU 30 -0.070 4.456 -9.055 246 3HD2 LEU 30 3HD2 LEU 30 0.994 5.127 -7.818 247 H LYS 31 H LYS 31 -3.379 8.702 -6.642 248 HA LYS 31 HA LYS 31 -1.048 10.451 -6.742 249 1HB LYS 31 1HB LYS 31 -2.908 11.809 -7.636 250 2HB LYS 31 2HB LYS 31 -3.849 11.476 -6.191 251 1HG LYS 31 1HG LYS 31 -2.375 12.754 -4.827 252 2HG LYS 31 2HG LYS 31 -1.183 12.881 -6.121 253 1HD LYS 31 1HD LYS 31 -3.965 14.071 -6.215 254 2HD LYS 31 2HD LYS 31 -2.503 14.965 -5.792 255 1HE LYS 31 1HE LYS 31 -1.564 14.512 -7.997 256 2HE LYS 31 2HE LYS 31 -2.980 13.553 -8.423 257 1HZ LYS 31 1HZ LYS 31 -3.045 16.443 -7.754 258 2HZ LYS 31 2HZ LYS 31 -4.341 15.507 -8.302 259 3HZ LYS 31 3HZ LYS 31 -3.032 15.821 -9.323 260 H ILE 32 H ILE 32 -0.029 9.516 -5.076 261 HA ILE 32 HA ILE 32 -1.513 8.734 -2.690 262 HB ILE 32 HB ILE 32 0.756 7.740 -2.013 263 1HG1 ILE 32 1HG1 ILE 32 1.307 8.359 -4.933 264 2HG1 ILE 32 2HG1 ILE 32 2.202 8.963 -3.542 265 1HG2 ILE 32 1HG2 ILE 32 -0.661 6.678 -4.461 266 2HG2 ILE 32 2HG2 ILE 32 -1.129 6.398 -2.784 267 3HG2 ILE 32 3HG2 ILE 32 0.392 5.746 -3.394 268 1HD1 ILE 32 1HD1 ILE 32 2.956 6.684 -3.054 269 2HD1 ILE 32 2HD1 ILE 32 3.432 7.215 -4.667 270 3HD1 ILE 32 3HD1 ILE 32 2.079 6.101 -4.470 271 HA PRO 33 HA PRO 33 -0.293 12.659 -0.877 272 1HB PRO 33 1HB PRO 33 -1.797 11.670 1.468 273 2HB PRO 33 2HB PRO 33 -2.101 13.087 0.450 274 1HG PRO 33 1HG PRO 33 -3.698 10.935 0.366 275 2HG PRO 33 2HG PRO 33 -3.332 11.875 -1.096 276 1HD PRO 33 1HD PRO 33 -2.119 9.285 -0.160 277 2HD PRO 33 2HD PRO 33 -2.696 9.734 -1.781 278 H ASN 34 H ASN 34 0.285 13.271 1.517 279 HA ASN 34 HA ASN 34 2.364 11.441 2.487 280 1HB ASN 34 1HB ASN 34 2.029 14.432 2.737 281 2HB ASN 34 2HB ASN 34 3.136 13.532 3.762 282 1HD2 ASN 34 2HD2 ASN 34 4.981 14.427 3.050 283 2HD2 ASN 34 1HD2 ASN 34 5.609 14.211 1.461 284 H VAL 35 H VAL 35 2.623 11.186 4.684 285 HA VAL 35 HA VAL 35 0.619 12.262 6.474 286 HB VAL 35 HB VAL 35 -0.271 10.046 5.926 287 1HG1 VAL 35 1HG1 VAL 35 0.950 7.996 6.483 288 2HG1 VAL 35 2HG1 VAL 35 2.362 8.952 6.931 289 3HG1 VAL 35 3HG1 VAL 35 1.800 8.940 5.259 290 1HG2 VAL 35 1HG2 VAL 35 -0.603 10.903 8.188 291 2HG2 VAL 35 2HG2 VAL 35 0.905 10.152 8.710 292 3HG2 VAL 35 3HG2 VAL 35 -0.454 9.147 8.200 293 H GLU 36 H GLU 36 1.562 12.957 8.349 294 HA GLU 36 HA GLU 36 3.233 13.558 9.786 295 1HB GLU 36 1HB GLU 36 4.336 10.813 9.127 296 2HB GLU 36 2HB GLU 36 4.870 11.839 10.450 297 1HG GLU 36 1HG GLU 36 2.187 10.520 10.120 298 2HG GLU 36 2HG GLU 36 3.412 10.175 11.338 299 H ARG 37 H ARG 37 3.368 13.939 6.883 300 HA ARG 37 HA ARG 37 4.584 15.140 5.441 301 1HB ARG 37 1HB ARG 37 6.367 16.473 6.099 302 2HB ARG 37 2HB ARG 37 5.477 16.240 7.593 303 1HG ARG 37 1HG ARG 37 7.333 14.174 7.612 304 2HG ARG 37 2HG ARG 37 8.220 15.531 6.916 305 1HD ARG 37 1HD ARG 37 6.631 15.648 9.486 306 2HD ARG 37 2HD ARG 37 8.379 15.385 9.399 307 HE ARG 37 HE ARG 37 8.104 17.665 8.015 308 1HH1 ARG 37 1HH1 ARG 37 6.802 16.701 11.115 309 2HH1 ARG 37 2HH1 ARG 37 6.850 18.303 11.775 310 1HH2 ARG 37 1HH2 ARG 37 8.157 19.775 8.867 311 2HH2 ARG 37 2HH2 ARG 37 7.603 20.058 10.488 312 H ARG 38 H ARG 38 4.941 12.132 6.042 313 HA ARG 38 HA ARG 38 7.146 11.783 4.111 314 1HB ARG 38 1HB ARG 38 7.589 10.478 6.086 315 2HB ARG 38 2HB ARG 38 5.951 9.837 6.103 316 1HG ARG 38 1HG ARG 38 7.532 8.165 5.301 317 2HG ARG 38 2HG ARG 38 6.394 8.611 4.032 318 1HD ARG 38 1HD ARG 38 8.267 10.318 3.354 319 2HD ARG 38 2HD ARG 38 9.313 9.235 4.272 320 HE ARG 38 HE ARG 38 7.629 7.965 2.285 321 1HH1 ARG 38 1HH1 ARG 38 10.776 9.340 2.997 322 2HH1 ARG 38 2HH1 ARG 38 11.554 8.571 1.650 323 1HH2 ARG 38 1HH2 ARG 38 8.656 6.964 0.507 324 2HH2 ARG 38 2HH2 ARG 38 10.348 7.219 0.234 325 H ILE 39 H ILE 39 6.609 11.240 2.101 326 HA ILE 39 HA ILE 39 3.922 10.923 1.270 327 HB ILE 39 HB ILE 39 5.772 11.814 -0.154 328 1HG1 ILE 39 1HG1 ILE 39 3.528 10.740 -1.011 329 2HG1 ILE 39 2HG1 ILE 39 4.780 11.205 -2.153 330 1HG2 ILE 39 1HG2 ILE 39 7.241 10.243 -1.349 331 2HG2 ILE 39 2HG2 ILE 39 6.608 8.923 -0.364 332 3HG2 ILE 39 3HG2 ILE 39 7.517 10.230 0.394 333 1HD1 ILE 39 1HD1 ILE 39 4.290 8.418 -1.129 334 2HD1 ILE 39 2HD1 ILE 39 5.514 8.892 -2.307 335 3HD1 ILE 39 3HD1 ILE 39 3.803 9.051 -2.699 336 H LEU 40 H LEU 40 2.804 9.103 0.601 337 HA LEU 40 HA LEU 40 3.340 6.727 2.065 338 1HB LEU 40 1HB LEU 40 1.062 7.452 1.483 339 2HB LEU 40 2HB LEU 40 1.407 7.191 -0.217 340 HG LEU 40 HG LEU 40 1.693 4.771 0.221 341 1HD1 LEU 40 1HD1 LEU 40 0.816 5.457 3.028 342 2HD1 LEU 40 2HD1 LEU 40 2.415 4.885 2.546 343 3HD1 LEU 40 3HD1 LEU 40 1.012 3.830 2.374 344 1HD2 LEU 40 1HD2 LEU 40 -0.484 5.612 -0.498 345 2HD2 LEU 40 2HD2 LEU 40 -0.941 5.901 1.181 346 3HD2 LEU 40 3HD2 LEU 40 -0.671 4.254 0.610 347 H ASP 41 H ASP 41 5.336 5.930 1.491 348 HA ASP 41 HA ASP 41 6.123 5.481 -1.220 349 1HB ASP 41 1HB ASP 41 7.738 5.885 0.652 350 2HB ASP 41 2HB ASP 41 7.332 4.298 1.296 351 H LEU 42 H LEU 42 4.717 4.197 -2.256 352 HA LEU 42 HA LEU 42 3.319 2.037 -1.205 353 1HB LEU 42 1HB LEU 42 3.171 3.433 -3.489 354 2HB LEU 42 2HB LEU 42 3.994 2.020 -4.112 355 HG LEU 42 HG LEU 42 1.358 1.900 -2.625 356 1HD1 LEU 42 1HD1 LEU 42 0.308 1.589 -4.815 357 2HD1 LEU 42 2HD1 LEU 42 1.857 1.891 -5.603 358 3HD1 LEU 42 3HD1 LEU 42 1.073 3.173 -4.678 359 1HD2 LEU 42 1HD2 LEU 42 2.603 -0.190 -2.560 360 2HD2 LEU 42 2HD2 LEU 42 2.800 -0.151 -4.312 361 3HD2 LEU 42 3HD2 LEU 42 1.194 -0.344 -3.608 362 H TYR 43 H TYR 43 6.542 2.166 -2.597 363 HA TYR 43 HA TYR 43 7.037 -0.518 -3.111 364 1HB TYR 43 1HB TYR 43 8.691 1.836 -2.459 365 2HB TYR 43 2HB TYR 43 9.431 0.308 -2.016 366 HD1 TYR 43 HD1 TYR 43 9.005 -1.543 -4.068 367 HD2 TYR 43 HD2 TYR 43 9.453 2.668 -4.441 368 HE1 TYR 43 HE1 TYR 43 9.850 -1.839 -6.357 369 HE2 TYR 43 HE2 TYR 43 10.281 2.393 -6.730 370 HH TYR 43 HH TYR 43 10.067 -0.562 -8.425 371 H SER 44 H SER 44 8.056 1.154 -0.138 372 HA SER 44 HA SER 44 8.769 -1.165 1.239 373 1HB SER 44 1HB SER 44 8.646 0.329 3.292 374 2HB SER 44 2HB SER 44 9.647 0.940 1.975 375 HG SER 44 HG SER 44 8.014 2.349 1.403 376 H LEU 45 H LEU 45 5.775 0.719 1.354 377 HA LEU 45 HA LEU 45 4.447 -0.714 3.332 378 1HB LEU 45 1HB LEU 45 3.717 1.457 2.326 379 2HB LEU 45 2HB LEU 45 3.220 0.591 0.888 380 HG LEU 45 HG LEU 45 1.399 1.265 2.555 381 1HD1 LEU 45 1HD1 LEU 45 1.568 -1.644 1.770 382 2HD1 LEU 45 2HD1 LEU 45 0.997 -0.328 0.744 383 3HD1 LEU 45 3HD1 LEU 45 0.102 -0.762 2.200 384 1HD2 LEU 45 1HD2 LEU 45 2.540 -1.075 4.087 385 2HD2 LEU 45 2HD2 LEU 45 1.031 -0.236 4.447 386 3HD2 LEU 45 3HD2 LEU 45 2.567 0.614 4.597 387 H SER 46 H SER 46 4.498 -1.227 -0.187 388 HA SER 46 HA SER 46 2.679 -3.371 -0.225 389 1HB SER 46 1HB SER 46 3.350 -2.047 -2.232 390 2HB SER 46 2HB SER 46 4.932 -2.823 -2.183 391 HG SER 46 HG SER 46 4.100 -4.561 -3.041 392 H LYS 47 H LYS 47 6.255 -3.337 -0.171 393 HA LYS 47 HA LYS 47 6.446 -6.169 -0.314 394 1HB LYS 47 1HB LYS 47 8.814 -5.895 0.095 395 2HB LYS 47 2HB LYS 47 8.264 -4.694 -1.064 396 1HG LYS 47 1HG LYS 47 8.228 -3.006 0.731 397 2HG LYS 47 2HG LYS 47 8.844 -4.218 1.859 398 1HD LYS 47 1HD LYS 47 10.238 -3.209 -0.631 399 2HD LYS 47 2HD LYS 47 10.662 -2.814 1.036 400 1HE LYS 47 1HE LYS 47 11.231 -5.139 1.471 401 2HE LYS 47 2HE LYS 47 10.719 -5.593 -0.153 402 1HZ LYS 47 1HZ LYS 47 13.112 -5.387 -0.015 403 2HZ LYS 47 2HZ LYS 47 12.977 -3.784 0.506 404 3HZ LYS 47 3HZ LYS 47 12.484 -4.206 -1.054 405 H ILE 48 H ILE 48 6.177 -3.902 2.349 406 HA ILE 48 HA ILE 48 6.867 -5.755 4.405 407 HB ILE 48 HB ILE 48 5.241 -3.204 4.479 408 1HG1 ILE 48 1HG1 ILE 48 8.004 -3.895 5.532 409 2HG1 ILE 48 2HG1 ILE 48 7.670 -2.969 4.073 410 1HG2 ILE 48 1HG2 ILE 48 4.400 -4.665 6.242 411 2HG2 ILE 48 2HG2 ILE 48 5.325 -3.336 6.937 412 3HG2 ILE 48 3HG2 ILE 48 6.042 -4.944 6.821 413 1HD1 ILE 48 1HD1 ILE 48 8.297 -1.514 5.896 414 2HD1 ILE 48 2HD1 ILE 48 6.985 -2.151 6.887 415 3HD1 ILE 48 3HD1 ILE 48 6.620 -1.226 5.429 416 H VAL 49 H VAL 49 3.777 -4.743 2.972 417 HA VAL 49 HA VAL 49 2.080 -6.344 4.539 418 HB VAL 49 HB VAL 49 1.764 -5.361 1.684 419 1HG1 VAL 49 1HG1 VAL 49 -0.643 -5.836 1.943 420 2HG1 VAL 49 2HG1 VAL 49 -0.308 -6.628 3.483 421 3HG1 VAL 49 3HG1 VAL 49 0.336 -7.303 1.987 422 1HG2 VAL 49 1HG2 VAL 49 0.621 -4.344 4.294 423 2HG2 VAL 49 2HG2 VAL 49 0.284 -3.681 2.694 424 3HG2 VAL 49 3HG2 VAL 49 1.915 -3.590 3.362 425 H VAL 50 H VAL 50 3.609 -7.007 1.384 426 HA VAL 50 HA VAL 50 2.619 -9.619 1.056 427 HB VAL 50 HB VAL 50 5.204 -8.431 0.000 428 1HG1 VAL 50 1HG1 VAL 50 5.250 -10.874 -0.095 429 2HG1 VAL 50 2HG1 VAL 50 5.106 -10.189 -1.713 430 3HG1 VAL 50 3HG1 VAL 50 3.692 -10.886 -0.921 431 1HG2 VAL 50 1HG2 VAL 50 3.934 -8.018 -2.056 432 2HG2 VAL 50 2HG2 VAL 50 3.222 -7.167 -0.686 433 3HG2 VAL 50 3HG2 VAL 50 2.475 -8.646 -1.288 434 H GLU 51 H GLU 51 5.517 -8.386 2.661 435 HA GLU 51 HA GLU 51 6.709 -10.892 3.217 436 1HB GLU 51 1HB GLU 51 7.689 -8.474 3.407 437 2HB GLU 51 2HB GLU 51 7.011 -8.500 5.028 438 1HG GLU 51 1HG GLU 51 9.277 -9.136 5.227 439 2HG GLU 51 2HG GLU 51 8.325 -10.608 5.434 440 H GLU 52 H GLU 52 4.424 -8.852 4.958 441 HA GLU 52 HA GLU 52 4.191 -10.510 7.261 442 1HB GLU 52 1HB GLU 52 2.460 -8.317 6.112 443 2HB GLU 52 2HB GLU 52 2.045 -9.156 7.596 444 1HG GLU 52 1HG GLU 52 4.533 -7.526 7.104 445 2HG GLU 52 2HG GLU 52 3.140 -7.043 8.070 446 H GLY 53 H GLY 53 2.759 -10.510 4.101 447 1HA GLY 53 1HA GLY 53 2.210 -12.717 3.261 448 2HA GLY 53 2HA GLY 53 1.464 -13.068 4.809 449 H GLY 54 H GLY 54 0.341 -10.086 4.436 450 1HA GLY 54 1HA GLY 54 -1.294 -9.967 2.235 451 2HA GLY 54 2HA GLY 54 -2.168 -10.986 3.364 452 H TYR 55 H TYR 55 -2.514 -8.172 2.195 453 HA TYR 55 HA TYR 55 -2.542 -6.268 4.236 454 1HB TYR 55 1HB TYR 55 -3.015 -5.492 2.058 455 2HB TYR 55 2HB TYR 55 -4.256 -6.709 1.795 456 HD1 TYR 55 HD2 TYR 55 -3.518 -3.630 3.766 457 HD2 TYR 55 HD1 TYR 55 -6.519 -6.186 2.159 458 HE1 TYR 55 HE2 TYR 55 -5.242 -2.000 4.404 459 HE2 TYR 55 HE1 TYR 55 -8.248 -4.559 2.792 460 HH TYR 55 HH TYR 55 -8.580 -2.736 4.354 461 H GLU 56 H GLU 56 -5.004 -8.645 3.317 462 HA GLU 56 HA GLU 56 -7.009 -7.869 5.097 463 1HB GLU 56 1HB GLU 56 -7.290 -9.443 3.184 464 2HB GLU 56 2HB GLU 56 -6.419 -10.668 4.089 465 1HG GLU 56 1HG GLU 56 -8.947 -9.412 5.123 466 2HG GLU 56 2HG GLU 56 -8.962 -10.804 4.045 467 H ALA 57 H ALA 57 -4.361 -10.183 5.492 468 HA ALA 57 HA ALA 57 -5.075 -11.169 8.013 469 1HB ALA 57 1HB ALA 57 -2.763 -11.950 8.180 470 2HB ALA 57 2HB ALA 57 -2.304 -10.908 6.832 471 3HB ALA 57 3HB ALA 57 -3.414 -12.253 6.570 472 H ILE 58 H ILE 58 -2.804 -8.544 7.161 473 HA ILE 58 HA ILE 58 -2.150 -7.855 9.825 474 HB ILE 58 HB ILE 58 -2.196 -5.903 7.519 475 1HG1 ILE 58 1HG1 ILE 58 0.053 -7.805 8.243 476 2HG1 ILE 58 2HG1 ILE 58 -1.023 -8.010 6.863 477 1HG2 ILE 58 1HG2 ILE 58 -0.333 -4.851 8.719 478 2HG2 ILE 58 2HG2 ILE 58 -0.462 -6.070 9.987 479 3HG2 ILE 58 3HG2 ILE 58 -1.783 -4.930 9.721 480 1HD1 ILE 58 1HD1 ILE 58 0.889 -5.726 7.305 481 2HD1 ILE 58 2HD1 ILE 58 -0.214 -5.888 5.938 482 3HD1 ILE 58 3HD1 ILE 58 1.084 -7.059 6.167 483 H CYS 59 H CYS 59 -4.737 -6.913 7.667 484 HA CYS 59 HA CYS 59 -5.709 -4.707 9.151 485 1HB CYS 59 1HB CYS 59 -6.241 -5.073 6.768 486 2HB CYS 59 2HB CYS 59 -7.171 -6.505 7.194 487 HG CYS 59 HG CYS 59 -9.390 -5.278 7.490 488 H LYS 60 H LYS 60 -6.654 -8.133 9.037 489 HA LYS 60 HA LYS 60 -8.796 -7.825 10.907 490 1HB LYS 60 1HB LYS 60 -8.531 -9.669 9.151 491 2HB LYS 60 2HB LYS 60 -7.357 -10.402 10.234 492 1HG LYS 60 1HG LYS 60 -9.443 -11.496 10.580 493 2HG LYS 60 2HG LYS 60 -9.132 -10.485 11.992 494 1HD LYS 60 1HD LYS 60 -11.422 -10.168 11.460 495 2HD LYS 60 2HD LYS 60 -10.597 -8.720 10.891 496 1HE LYS 60 1HE LYS 60 -11.357 -11.073 9.156 497 2HE LYS 60 2HE LYS 60 -12.291 -9.587 9.300 498 1HZ LYS 60 1HZ LYS 60 -10.381 -8.364 8.423 499 2HZ LYS 60 2HZ LYS 60 -10.920 -9.540 7.341 500 3HZ LYS 60 3HZ LYS 60 -9.523 -9.814 8.245 501 H ASP 61 H ASP 61 -5.401 -8.594 11.090 502 HA ASP 61 HA ASP 61 -5.547 -9.349 13.893 503 1HB ASP 61 1HB ASP 61 -4.056 -10.523 12.241 504 2HB ASP 61 2HB ASP 61 -3.093 -9.053 12.143 505 H ARG 62 H ARG 62 -5.331 -6.484 12.164 506 HA ARG 62 HA ARG 62 -5.091 -4.314 12.822 507 1HB ARG 62 1HB ARG 62 -6.532 -5.161 14.698 508 2HB ARG 62 2HB ARG 62 -5.074 -5.467 15.629 509 1HG ARG 62 1HG ARG 62 -4.557 -3.040 15.540 510 2HG ARG 62 2HG ARG 62 -6.092 -2.779 14.706 511 1HD ARG 62 1HD ARG 62 -6.290 -2.326 17.111 512 2HD ARG 62 2HD ARG 62 -7.305 -3.685 16.625 513 HE ARG 62 HE ARG 62 -4.645 -4.182 17.785 514 1HH1 ARG 62 1HH1 ARG 62 -8.134 -4.397 18.076 515 2HH1 ARG 62 2HH1 ARG 62 -8.076 -5.601 19.320 516 1HH2 ARG 62 1HH2 ARG 62 -4.577 -5.750 19.428 517 2HH2 ARG 62 2HH2 ARG 62 -6.057 -6.364 20.096 518 H ARG 63 H ARG 63 -2.729 -5.876 12.215 519 HA ARG 63 HA ARG 63 -0.744 -5.139 14.244 520 1HB ARG 63 1HB ARG 63 -1.079 -7.397 12.661 521 2HB ARG 63 2HB ARG 63 0.258 -6.558 11.889 522 1HG ARG 63 1HG ARG 63 1.060 -8.175 13.529 523 2HG ARG 63 2HG ARG 63 1.481 -6.529 14.009 524 1HD ARG 63 1HD ARG 63 -0.379 -6.480 15.575 525 2HD ARG 63 2HD ARG 63 -0.894 -8.081 15.051 526 HE ARG 63 HE ARG 63 1.655 -7.553 16.454 527 1HH1 ARG 63 1HH1 ARG 63 -1.111 -9.597 15.782 528 2HH1 ARG 63 2HH1 ARG 63 -0.725 -10.751 17.024 529 1HH2 ARG 63 1HH2 ARG 63 2.170 -9.082 18.087 530 2HH2 ARG 63 2HH2 ARG 63 1.129 -10.450 18.339 531 H TRP 64 H TRP 64 -2.053 -3.381 12.012 532 HA TRP 64 HA TRP 64 0.046 -2.428 10.400 533 1HB TRP 64 1HB TRP 64 -2.405 -0.987 11.448 534 2HB TRP 64 2HB TRP 64 -1.315 -0.322 10.235 535 HD1 TRP 64 HD1 TRP 64 -4.441 -2.209 10.481 536 HE1 TRP 64 HE1 TRP 64 -5.027 -3.321 8.237 537 HE3 TRP 64 HE3 TRP 64 0.065 -1.692 8.101 538 HZ2 TRP 64 HZ2 TRP 64 -3.754 -3.912 5.801 539 HZ3 TRP 64 HZ3 TRP 64 0.291 -2.563 5.814 540 HH2 TRP 64 HH2 TRP 64 -1.582 -3.652 4.687 541 H ALA 65 H ALA 65 -0.462 -2.175 13.745 542 HA ALA 65 HA ALA 65 0.745 0.285 14.339 543 1HB ALA 65 1HB ALA 65 -0.548 -1.001 15.974 544 2HB ALA 65 2HB ALA 65 1.056 -0.602 16.591 545 3HB ALA 65 3HB ALA 65 0.715 -2.231 16.008 546 H ARG 66 H ARG 66 2.168 -3.005 14.139 547 HA ARG 66 HA ARG 66 4.811 -2.214 14.726 548 1HB ARG 66 1HB ARG 66 5.544 -4.327 13.731 549 2HB ARG 66 2HB ARG 66 4.139 -4.579 14.757 550 1HG ARG 66 1HG ARG 66 2.707 -4.855 12.882 551 2HG ARG 66 2HG ARG 66 3.950 -4.292 11.766 552 1HD ARG 66 1HD ARG 66 3.648 -6.748 11.720 553 2HD ARG 66 2HD ARG 66 5.281 -6.262 12.173 554 HE ARG 66 HE ARG 66 4.092 -6.579 14.567 555 1HH1 ARG 66 1HH1 ARG 66 4.145 -8.657 11.736 556 2HH1 ARG 66 2HH1 ARG 66 4.163 -10.120 12.667 557 1HH2 ARG 66 1HH2 ARG 66 4.108 -8.498 15.780 558 2HH2 ARG 66 2HH2 ARG 66 4.158 -10.033 14.970 559 H VAL 67 H VAL 67 2.996 -2.225 11.729 560 HA VAL 67 HA VAL 67 5.153 -1.755 9.960 561 HB VAL 67 HB VAL 67 2.254 -0.921 9.625 562 1HG1 VAL 67 1HG1 VAL 67 3.730 0.205 8.041 563 2HG1 VAL 67 2HG1 VAL 67 2.735 -0.992 7.213 564 3HG1 VAL 67 3HG1 VAL 67 4.428 -1.343 7.563 565 1HG2 VAL 67 1HG2 VAL 67 1.970 -3.035 8.407 566 2HG2 VAL 67 2HG2 VAL 67 2.441 -3.315 10.082 567 3HG2 VAL 67 3HG2 VAL 67 3.632 -3.483 8.792 568 H ALA 68 H ALA 68 2.806 0.459 11.466 569 HA ALA 68 HA ALA 68 3.852 2.851 10.463 570 1HB ALA 68 1HB ALA 68 2.420 2.408 13.087 571 2HB ALA 68 2HB ALA 68 1.652 2.698 11.527 572 3HB ALA 68 3HB ALA 68 2.634 3.959 12.272 573 H GLN 69 H GLN 69 4.641 1.026 13.381 574 HA GLN 69 HA GLN 69 6.474 2.840 14.510 575 1HB GLN 69 1HB GLN 69 5.409 0.732 15.545 576 2HB GLN 69 2HB GLN 69 6.663 -0.176 14.719 577 1HG GLN 69 1HG GLN 69 7.207 2.024 16.708 578 2HG GLN 69 2HG GLN 69 7.104 0.318 17.130 579 1HE2 GLN 69 2HE2 GLN 69 9.332 2.138 17.436 580 2HE2 GLN 69 1HE2 GLN 69 10.646 1.468 16.539 581 H ARG 70 H ARG 70 6.842 0.189 12.211 582 HA ARG 70 HA ARG 70 9.639 0.231 11.967 583 1HB ARG 70 1HB ARG 70 7.469 -1.186 10.821 584 2HB ARG 70 2HB ARG 70 8.368 -0.514 9.473 585 1HG ARG 70 1HG ARG 70 9.817 -1.986 11.642 586 2HG ARG 70 2HG ARG 70 8.948 -2.880 10.396 587 1HD ARG 70 1HD ARG 70 11.271 -2.656 9.772 588 2HD ARG 70 2HD ARG 70 10.268 -1.718 8.670 589 HE ARG 70 HE ARG 70 11.075 0.062 10.600 590 1HH1 ARG 70 1HH1 ARG 70 12.702 -2.065 8.353 591 2HH1 ARG 70 2HH1 ARG 70 14.068 -1.022 8.152 592 1HH2 ARG 70 1HH2 ARG 70 12.869 1.443 10.339 593 2HH2 ARG 70 2HH2 ARG 70 14.167 0.974 9.285 594 H LEU 71 H LEU 71 7.111 2.090 10.372 595 HA LEU 71 HA LEU 71 9.016 3.398 8.603 596 1HB LEU 71 1HB LEU 71 6.035 3.518 8.933 597 2HB LEU 71 2HB LEU 71 6.867 4.775 8.038 598 HG LEU 71 HG LEU 71 7.759 3.072 6.479 599 1HD1 LEU 71 1HD1 LEU 71 6.873 0.795 6.503 600 2HD1 LEU 71 2HD1 LEU 71 6.033 1.132 8.016 601 3HD1 LEU 71 3HD1 LEU 71 7.797 1.144 7.964 602 1HD2 LEU 71 1HD2 LEU 71 5.692 4.247 5.936 603 2HD2 LEU 71 2HD2 LEU 71 4.754 3.016 6.783 604 3HD2 LEU 71 3HD2 LEU 71 5.655 2.593 5.326 605 H ASN 72 H ASN 72 8.573 3.723 11.743 606 HA ASN 72 HA ASN 72 9.404 5.248 13.202 607 1HB ASN 72 1HB ASN 72 10.088 6.828 10.709 608 2HB ASN 72 2HB ASN 72 10.577 7.285 12.339 609 1HD2 ASN 72 2HD2 ASN 72 11.048 5.047 9.728 610 2HD2 ASN 72 1HD2 ASN 72 12.499 4.330 10.333 611 H TYR 73 H TYR 73 6.584 5.365 12.078 612 HA TYR 73 HA TYR 73 5.810 8.116 12.309 613 1HB TYR 73 1HB TYR 73 4.176 5.566 12.359 614 2HB TYR 73 2HB TYR 73 3.473 7.180 12.402 615 HD1 TYR 73 HD2 TYR 73 4.968 8.687 10.445 616 HD2 TYR 73 HD1 TYR 73 3.709 4.624 10.283 617 HE1 TYR 73 HE2 TYR 73 5.001 8.781 7.989 618 HE2 TYR 73 HE1 TYR 73 3.739 4.708 7.829 619 HH TYR 73 HH TYR 73 3.576 6.422 6.042 620 HA PRO 74 HA PRO 74 5.815 8.550 16.667 621 1HB PRO 74 1HB PRO 74 3.822 10.384 17.028 622 2HB PRO 74 2HB PRO 74 5.401 10.792 16.346 623 1HG PRO 74 1HG PRO 74 2.820 10.219 14.926 624 2HG PRO 74 2HG PRO 74 3.992 11.517 14.628 625 1HD PRO 74 1HD PRO 74 3.925 9.300 13.106 626 2HD PRO 74 2HD PRO 74 5.455 10.110 13.503 627 HA PRO 75 HA PRO 75 2.931 5.857 18.703 628 1HB PRO 75 1HB PRO 75 2.798 7.933 20.851 629 2HB PRO 75 2HB PRO 75 3.180 6.211 20.972 630 1HG PRO 75 1HG PRO 75 5.106 8.039 21.151 631 2HG PRO 75 2HG PRO 75 5.379 6.515 20.285 632 1HD PRO 75 1HD PRO 75 4.860 9.252 19.192 633 2HD PRO 75 2HD PRO 75 5.943 7.981 18.586 634 H GLY 76 H GLY 76 0.725 5.619 19.125 635 1HA GLY 76 1HA GLY 76 -1.472 6.653 19.506 636 2HA GLY 76 2HA GLY 76 -0.967 7.960 18.441 637 H LYS 77 H LYS 77 0.393 5.894 16.753 638 HA LYS 77 HA LYS 77 0.052 4.770 14.846 639 1HB LYS 77 1HB LYS 77 -0.755 2.640 15.116 640 2HB LYS 77 2HB LYS 77 -0.458 3.104 16.778 641 1HG LYS 77 1HG LYS 77 -3.200 3.480 15.649 642 2HG LYS 77 2HG LYS 77 -2.663 1.855 16.059 643 1HD LYS 77 1HD LYS 77 -2.745 4.212 17.950 644 2HD LYS 77 2HD LYS 77 -3.922 2.905 17.887 645 1HE LYS 77 1HE LYS 77 -2.102 1.306 18.446 646 2HE LYS 77 2HE LYS 77 -0.998 2.672 18.615 647 1HZ LYS 77 1HZ LYS 77 -1.864 1.994 20.760 648 2HZ LYS 77 2HZ LYS 77 -3.451 2.206 20.222 649 3HZ LYS 77 3HZ LYS 77 -2.433 3.542 20.375 650 H ASN 78 H ASN 78 -1.852 7.123 15.319 651 HA ASN 78 HA ASN 78 -4.318 6.546 14.079 652 1HB ASN 78 1HB ASN 78 -2.766 9.143 14.268 653 2HB ASN 78 2HB ASN 78 -4.391 9.032 13.595 654 1HD2 ASN 78 2HD2 ASN 78 -2.474 8.935 16.480 655 2HD2 ASN 78 1HD2 ASN 78 -3.788 8.969 17.603 656 H ILE 79 H ILE 79 -1.149 6.998 12.831 657 HA ILE 79 HA ILE 79 -1.737 7.681 10.167 658 HB ILE 79 HB ILE 79 0.605 6.050 11.202 659 1HG1 ILE 79 1HG1 ILE 79 1.825 8.286 10.826 660 2HG1 ILE 79 2HG1 ILE 79 0.230 9.023 10.759 661 1HG2 ILE 79 1HG2 ILE 79 1.715 6.737 9.087 662 2HG2 ILE 79 2HG2 ILE 79 0.177 7.402 8.535 663 3HG2 ILE 79 3HG2 ILE 79 0.332 5.672 8.840 664 1HD1 ILE 79 1HD1 ILE 79 1.223 9.267 12.951 665 2HD1 ILE 79 2HD1 ILE 79 1.395 7.518 13.093 666 3HD1 ILE 79 3HD1 ILE 79 -0.212 8.246 13.036 667 H GLY 80 H GLY 80 -1.822 4.654 11.913 668 1HA GLY 80 1HA GLY 80 -1.828 2.835 9.777 669 2HA GLY 80 2HA GLY 80 -2.582 2.566 11.343 670 H SER 81 H SER 81 -4.444 4.676 11.262 671 HA SER 81 HA SER 81 -6.561 3.520 9.794 672 1HB SER 81 1HB SER 81 -6.407 6.319 10.958 673 2HB SER 81 2HB SER 81 -7.874 5.414 10.576 674 HG SER 81 HG SER 81 -7.501 5.177 12.750 675 H LEU 82 H LEU 82 -4.622 6.450 9.298 676 HA LEU 82 HA LEU 82 -5.778 7.394 6.934 677 1HB LEU 82 1HB LEU 82 -4.087 8.549 8.423 678 2HB LEU 82 2HB LEU 82 -2.852 7.532 7.723 679 HG LEU 82 HG LEU 82 -3.076 9.944 6.864 680 1HD1 LEU 82 1HD1 LEU 82 -3.013 7.640 4.920 681 2HD1 LEU 82 2HD1 LEU 82 -1.642 8.364 5.757 682 3HD1 LEU 82 3HD1 LEU 82 -2.523 9.294 4.543 683 1HD2 LEU 82 1HD2 LEU 82 -5.389 8.711 5.364 684 2HD2 LEU 82 2HD2 LEU 82 -4.686 10.300 5.063 685 3HD2 LEU 82 3HD2 LEU 82 -5.499 9.972 6.592 686 H LEU 83 H LEU 83 -3.103 5.169 7.455 687 HA LEU 83 HA LEU 83 -2.389 4.617 4.824 688 1HB LEU 83 1HB LEU 83 -0.998 3.972 6.699 689 2HB LEU 83 2HB LEU 83 -2.251 2.913 7.319 690 HG LEU 83 HG LEU 83 -1.968 1.440 5.357 691 1HD1 LEU 83 1HD1 LEU 83 0.296 3.298 4.633 692 2HD1 LEU 83 2HD1 LEU 83 -1.210 3.088 3.738 693 3HD1 LEU 83 3HD1 LEU 83 -0.063 1.755 3.856 694 1HD2 LEU 83 1HD2 LEU 83 0.593 2.001 6.856 695 2HD2 LEU 83 2HD2 LEU 83 0.205 0.514 5.990 696 3HD2 LEU 83 3HD2 LEU 83 -0.732 0.976 7.410 697 H ARG 84 H ARG 84 -4.582 2.806 6.989 698 HA ARG 84 HA ARG 84 -5.306 0.867 5.096 699 1HB ARG 84 1HB ARG 84 -5.754 0.884 7.659 700 2HB ARG 84 2HB ARG 84 -7.213 1.777 7.245 701 1HG ARG 84 1HG ARG 84 -7.676 -0.167 5.602 702 2HG ARG 84 2HG ARG 84 -6.468 -1.044 6.538 703 1HD ARG 84 1HD ARG 84 -8.364 -1.680 7.652 704 2HD ARG 84 2HD ARG 84 -7.960 -0.231 8.571 705 HE ARG 84 HE ARG 84 -9.689 0.331 6.355 706 1HH1 ARG 84 1HH1 ARG 84 -9.649 -0.812 9.667 707 2HH1 ARG 84 2HH1 ARG 84 -11.315 -0.427 9.954 708 1HH2 ARG 84 1HH2 ARG 84 -11.877 0.803 6.713 709 2HH2 ARG 84 2HH2 ARG 84 -12.591 0.488 8.267 710 H SER 85 H SER 85 -6.616 4.053 5.825 711 HA SER 85 HA SER 85 -9.025 3.840 4.402 712 1HB SER 85 1HB SER 85 -7.349 6.297 4.992 713 2HB SER 85 2HB SER 85 -9.014 6.330 4.411 714 HG SER 85 HG SER 85 -8.393 4.848 6.713 715 H HIS 86 H HIS 86 -5.831 5.088 3.350 716 HA HIS 86 HA HIS 86 -6.795 5.595 0.688 717 1HB HIS 86 1HB HIS 86 -3.998 5.517 1.826 718 2HB HIS 86 2HB HIS 86 -4.326 5.841 0.126 719 HD1 HIS 86 HD1 HIS 86 -6.147 7.956 -0.173 720 HD2 HIS 86 HD2 HIS 86 -3.870 7.775 3.292 721 HE1 HIS 86 HE1 HIS 86 -6.185 10.279 0.777 722 HE2 HIS 86 HE2 HIS 86 -4.927 10.111 2.950 723 H TYR 87 H TYR 87 -5.125 2.913 2.238 724 HA TYR 87 HA TYR 87 -4.609 1.422 -0.115 725 1HB TYR 87 1HB TYR 87 -3.714 1.009 2.268 726 2HB TYR 87 2HB TYR 87 -5.252 0.219 2.591 727 HD1 TYR 87 HD2 TYR 87 -5.893 -1.620 0.687 728 HD2 TYR 87 HD1 TYR 87 -1.944 -0.356 1.679 729 HE1 TYR 87 HE2 TYR 87 -4.994 -3.712 -0.233 730 HE2 TYR 87 HE1 TYR 87 -1.041 -2.446 0.754 731 HH TYR 87 HH TYR 87 -1.944 -4.838 0.334 732 H GLU 88 H GLU 88 -7.325 1.759 2.013 733 HA GLU 88 HA GLU 88 -8.902 -0.423 1.359 734 1HB GLU 88 1HB GLU 88 -9.124 1.263 3.253 735 2HB GLU 88 2HB GLU 88 -9.911 2.328 2.105 736 1HG GLU 88 1HG GLU 88 -11.715 0.729 1.823 737 2HG GLU 88 2HG GLU 88 -10.899 -0.407 2.902 738 H ARG 89 H ARG 89 -8.388 2.556 -0.379 739 HA ARG 89 HA ARG 89 -10.528 1.831 -2.283 740 1HB ARG 89 1HB ARG 89 -10.981 3.967 -1.294 741 2HB ARG 89 2HB ARG 89 -9.334 4.515 -1.573 742 1HG ARG 89 1HG ARG 89 -9.710 4.573 -3.963 743 2HG ARG 89 2HG ARG 89 -11.325 3.892 -3.754 744 1HD ARG 89 1HD ARG 89 -10.426 6.528 -2.583 745 2HD ARG 89 2HD ARG 89 -11.291 6.365 -4.112 746 HE ARG 89 HE ARG 89 -12.963 5.104 -2.493 747 1HH1 ARG 89 1HH1 ARG 89 -11.265 8.130 -1.978 748 2HH1 ARG 89 2HH1 ARG 89 -12.525 8.814 -1.002 749 1HH2 ARG 89 1HH2 ARG 89 -14.613 6.004 -1.208 750 2HH2 ARG 89 2HH2 ARG 89 -14.426 7.600 -0.552 751 H ILE 90 H ILE 90 -7.262 3.274 -2.155 752 HA ILE 90 HA ILE 90 -7.039 3.167 -5.035 753 HB ILE 90 HB ILE 90 -5.025 4.041 -2.951 754 1HG1 ILE 90 1HG1 ILE 90 -7.038 5.444 -2.952 755 2HG1 ILE 90 2HG1 ILE 90 -5.667 6.334 -3.602 756 1HG2 ILE 90 1HG2 ILE 90 -3.906 3.393 -5.009 757 2HG2 ILE 90 2HG2 ILE 90 -3.854 5.145 -4.816 758 3HG2 ILE 90 3HG2 ILE 90 -4.992 4.416 -5.950 759 1HD1 ILE 90 1HD1 ILE 90 -7.879 5.065 -5.202 760 2HD1 ILE 90 2HD1 ILE 90 -6.495 5.932 -5.871 761 3HD1 ILE 90 3HD1 ILE 90 -7.673 6.784 -4.872 762 H VAL 91 H VAL 91 -5.289 1.664 -2.301 763 HA VAL 91 HA VAL 91 -3.607 0.230 -4.210 764 HB VAL 91 HB VAL 91 -3.368 0.210 -1.196 765 1HG1 VAL 91 1HG1 VAL 91 -1.025 -0.386 -1.643 766 2HG1 VAL 91 2HG1 VAL 91 -1.361 -0.400 -3.375 767 3HG1 VAL 91 3HG1 VAL 91 -2.140 -1.575 -2.316 768 1HG2 VAL 91 1HG2 VAL 91 -1.694 1.993 -1.441 769 2HG2 VAL 91 2HG2 VAL 91 -3.289 2.522 -1.976 770 3HG2 VAL 91 3HG2 VAL 91 -2.058 2.097 -3.165 771 H TYR 92 H TYR 92 -6.453 -0.376 -2.509 772 HA TYR 92 HA TYR 92 -6.120 -3.000 -1.612 773 1HB TYR 92 1HB TYR 92 -8.130 -1.322 -1.329 774 2HB TYR 92 2HB TYR 92 -8.762 -2.136 -2.753 775 HD1 TYR 92 HD2 TYR 92 -7.175 -4.791 -1.496 776 HD2 TYR 92 HD1 TYR 92 -10.304 -2.160 -0.308 777 HE1 TYR 92 HE2 TYR 92 -8.104 -6.552 -0.058 778 HE2 TYR 92 HE1 TYR 92 -11.238 -3.916 1.135 779 HH TYR 92 HH TYR 92 -11.209 -6.334 1.348 780 HA PRO 93 HA PRO 93 -7.631 -4.386 -6.136 781 1HB PRO 93 1HB PRO 93 -6.287 -2.122 -7.559 782 2HB PRO 93 2HB PRO 93 -7.753 -3.012 -7.993 783 1HG PRO 93 1HG PRO 93 -7.928 -0.564 -6.973 784 2HG PRO 93 2HG PRO 93 -9.075 -1.826 -6.481 785 1HD PRO 93 1HD PRO 93 -6.705 -0.736 -5.011 786 2HD PRO 93 2HD PRO 93 -8.294 -1.219 -4.384 787 H TYR 94 H TYR 94 -4.673 -2.706 -5.242 788 HA TYR 94 HA TYR 94 -2.952 -4.264 -6.917 789 1HB TYR 94 1HB TYR 94 -2.529 -2.228 -4.767 790 2HB TYR 94 2HB TYR 94 -1.179 -3.259 -5.227 791 HD1 TYR 94 HD2 TYR 94 -3.480 -0.613 -6.406 792 HD2 TYR 94 HD1 TYR 94 -0.107 -3.031 -7.364 793 HE1 TYR 94 HE2 TYR 94 -2.987 0.839 -8.319 794 HE2 TYR 94 HE1 TYR 94 0.381 -1.588 -9.287 795 HH TYR 94 HH TYR 94 -0.953 1.433 -9.719 796 H GLU 95 H GLU 95 -4.159 -4.586 -3.632 797 HA GLU 95 HA GLU 95 -2.470 -6.686 -2.797 798 1HB GLU 95 1HB GLU 95 -3.928 -5.625 -1.186 799 2HB GLU 95 2HB GLU 95 -5.355 -6.057 -2.112 800 1HG GLU 95 1HG GLU 95 -5.096 -7.441 -0.109 801 2HG GLU 95 2HG GLU 95 -5.046 -8.396 -1.587 802 H MET 96 H MET 96 -5.703 -6.787 -4.279 803 HA MET 96 HA MET 96 -5.819 -9.552 -4.699 804 1HB MET 96 1HB MET 96 -7.766 -8.021 -4.863 805 2HB MET 96 2HB MET 96 -7.109 -7.363 -6.356 806 1HG MET 96 1HG MET 96 -7.302 -9.591 -7.395 807 2HG MET 96 2HG MET 96 -8.025 -10.201 -5.907 808 1HE MET 96 1HE MET 96 -10.191 -11.082 -7.130 809 2HE MET 96 2HE MET 96 -9.452 -10.602 -8.658 810 3HE MET 96 3HE MET 96 -11.109 -10.124 -8.290 811 H TYR 97 H TYR 97 -4.394 -6.977 -6.607 812 HA TYR 97 HA TYR 97 -3.931 -8.477 -8.969 813 1HB TYR 97 1HB TYR 97 -3.967 -6.017 -8.944 814 2HB TYR 97 2HB TYR 97 -2.531 -5.995 -7.930 815 HD1 TYR 97 HD2 TYR 97 -3.361 -7.917 -11.041 816 HD2 TYR 97 HD1 TYR 97 -0.791 -5.078 -9.170 817 HE1 TYR 97 HE2 TYR 97 -1.957 -7.863 -13.058 818 HE2 TYR 97 HE1 TYR 97 0.616 -5.021 -11.184 819 HH TYR 97 HH TYR 97 -0.355 -6.324 -14.151 820 H GLN 98 H GLN 98 -1.671 -7.470 -6.379 821 HA GLN 98 HA GLN 98 0.521 -8.946 -7.372 822 1HB GLN 98 1HB GLN 98 -0.038 -7.912 -4.583 823 2HB GLN 98 2HB GLN 98 1.492 -8.621 -5.081 824 1HG GLN 98 1HG GLN 98 1.731 -6.839 -6.776 825 2HG GLN 98 2HG GLN 98 0.241 -6.108 -6.180 826 1HE2 GLN 98 2HE2 GLN 98 0.232 -5.132 -4.139 827 2HE2 GLN 98 1HE2 GLN 98 1.698 -4.679 -3.339 828 H SER 99 H SER 99 -1.838 -9.659 -4.812 829 HA SER 99 HA SER 99 -0.804 -12.161 -4.075 830 1HB SER 99 1HB SER 99 -2.497 -10.868 -2.765 831 2HB SER 99 2HB SER 99 -3.703 -11.250 -3.990 832 HG SER 99 HG SER 99 -2.251 -13.239 -2.593 833 H GLY 100 H GLY 100 -3.217 -11.219 -6.498 834 1HA GLY 100 1HA GLY 100 -3.899 -13.832 -7.334 835 2HA GLY 100 2HA GLY 100 -4.150 -12.357 -8.256 836 H ALA 101 H ALA 101 -1.284 -11.682 -8.221 837 HA ALA 101 HA ALA 101 -0.534 -13.232 -10.543 838 1HB ALA 101 1HB ALA 101 1.322 -11.665 -10.745 839 2HB ALA 101 2HB ALA 101 0.942 -10.989 -9.161 840 3HB ALA 101 3HB ALA 101 -0.197 -10.804 -10.496 841 H ASN 102 H ASN 102 0.536 -12.922 -7.197 842 HA ASN 102 HA ASN 102 2.784 -14.741 -7.727 843 1HB ASN 102 1HB ASN 102 2.178 -12.915 -5.395 844 2HB ASN 102 2HB ASN 102 3.462 -14.116 -5.346 845 1HD2 ASN 102 2HD2 ASN 102 2.536 -12.164 -8.139 846 2HD2 ASN 102 1HD2 ASN 102 4.019 -11.285 -8.236 847 H LEU 103 H LEU 103 0.265 -14.312 -5.222 848 HA LEU 103 HA LEU 103 -0.355 -17.060 -5.055 849 1HB LEU 103 1HB LEU 103 0.579 -17.238 -2.606 850 2HB LEU 103 2HB LEU 103 1.590 -17.625 -3.981 851 HG LEU 103 HG LEU 103 2.489 -15.224 -3.796 852 1HD1 LEU 103 1HD1 LEU 103 0.818 -14.263 -2.348 853 2HD1 LEU 103 2HD1 LEU 103 2.391 -14.222 -1.553 854 3HD1 LEU 103 3HD1 LEU 103 1.197 -15.431 -1.081 855 1HD2 LEU 103 1HD2 LEU 103 3.065 -17.208 -1.598 856 2HD2 LEU 103 2HD2 LEU 103 4.106 -15.866 -2.074 857 3HD2 LEU 103 3HD2 LEU 103 3.794 -17.182 -3.204 858 H VAL 104 H VAL 104 -2.352 -17.190 -4.256 859 HA VAL 104 HA VAL 104 -3.363 -14.828 -2.809 860 HB VAL 104 HB VAL 104 -4.277 -14.724 -4.992 861 1HG1 VAL 104 1HG1 VAL 104 -3.784 -16.995 -5.730 862 2HG1 VAL 104 2HG1 VAL 104 -5.459 -16.568 -6.085 863 3HG1 VAL 104 3HG1 VAL 104 -5.088 -17.621 -4.719 864 1HG2 VAL 104 1HG2 VAL 104 -6.681 -14.963 -4.621 865 2HG2 VAL 104 2HG2 VAL 104 -5.888 -14.277 -3.204 866 3HG2 VAL 104 3HG2 VAL 104 -6.374 -15.972 -3.206 867 H CYS 105 H CYS 105 -3.375 -15.534 -0.749 868 HA CYS 105 HA CYS 105 -5.269 -17.713 -0.153 869 1HB CYS 105 1HB CYS 105 -2.979 -18.521 0.224 870 2HB CYS 105 2HB CYS 105 -2.664 -17.160 1.292 871 HG CYS 105 HG CYS 105 -5.075 -18.219 2.842 872 H ASN 106 H ASN 106 -4.012 -14.555 0.630 873 HA ASN 106 HA ASN 106 -5.401 -14.445 3.181 874 1HB ASN 106 1HB ASN 106 -4.158 -12.546 3.675 875 2HB ASN 106 2HB ASN 106 -3.061 -13.431 2.625 876 1HD2 ASN 106 2HD2 ASN 106 -2.685 -12.652 0.513 877 2HD2 ASN 106 1HD2 ASN 106 -3.076 -11.026 0.062 878 H THR 107 H THR 107 -5.728 -13.018 -0.036 879 HA THR 107 HA THR 107 -7.528 -10.974 0.865 880 HB THR 107 HB THR 107 -5.942 -10.629 -1.012 881 HG1 THR 107 HG1 THR 107 -7.508 -9.154 -1.130 882 1HG2 THR 107 1HG2 THR 107 -7.803 -12.454 -2.544 883 2HG2 THR 107 2HG2 THR 107 -6.132 -12.808 -2.102 884 3HG2 THR 107 3HG2 THR 107 -6.486 -11.506 -3.238 885 H ARG 108 H ARG 108 -8.296 -13.968 1.036 886 HA ARG 108 HA ARG 108 -10.546 -14.328 -0.637 887 1HB ARG 108 1HB ARG 108 -9.689 -15.608 1.946 888 2HB ARG 108 2HB ARG 108 -11.276 -15.954 1.269 889 1HG ARG 108 1HG ARG 108 -10.171 -16.713 -0.819 890 2HG ARG 108 2HG ARG 108 -8.606 -16.467 -0.038 891 1HD ARG 108 1HD ARG 108 -9.048 -18.148 1.581 892 2HD ARG 108 2HD ARG 108 -10.750 -18.235 1.129 893 HE ARG 108 HE ARG 108 -8.904 -18.919 -0.989 894 1HH1 ARG 108 1HH1 ARG 108 -10.728 -20.136 1.745 895 2HH1 ARG 108 2HH1 ARG 108 -10.849 -21.745 1.105 896 1HH2 ARG 108 1HH2 ARG 108 -9.036 -21.046 -1.809 897 2HH2 ARG 108 2HH2 ARG 108 -9.894 -22.260 -0.912 898 HA PRO 109 HA PRO 109 -13.205 -12.510 2.966 899 1HB PRO 109 1HB PRO 109 -11.323 -11.205 4.815 900 2HB PRO 109 2HB PRO 109 -12.610 -12.365 5.160 901 1HG PRO 109 1HG PRO 109 -10.018 -13.041 5.364 902 2HG PRO 109 2HG PRO 109 -11.241 -14.195 4.794 903 1HD PRO 109 1HD PRO 109 -9.326 -12.525 3.179 904 2HD PRO 109 2HD PRO 109 -9.701 -14.256 3.029 905 H PHE 110 H PHE 110 -11.377 -11.197 0.804 906 HA PHE 110 HA PHE 110 -11.132 -8.486 1.064 907 1HB PHE 110 1HB PHE 110 -10.696 -9.921 -0.998 908 2HB PHE 110 2HB PHE 110 -12.417 -9.840 -1.333 909 HD1 PHE 110 HD1 PHE 110 -13.282 -7.194 -1.190 910 HD2 PHE 110 HD2 PHE 110 -9.409 -8.573 -2.316 911 HE1 PHE 110 HE1 PHE 110 -12.927 -5.136 -2.488 912 HE2 PHE 110 HE2 PHE 110 -9.051 -6.511 -3.607 913 HZ PHE 110 HZ PHE 110 -10.809 -4.791 -3.695 914 H ASP 111 H ASP 111 -14.042 -10.303 0.236 915 HA ASP 111 HA ASP 111 -15.864 -8.186 0.066 916 1HB ASP 111 1HB ASP 111 -16.414 -11.042 0.930 917 2HB ASP 111 2HB ASP 111 -17.597 -9.902 0.297 918 H ASN 112 H ASN 112 -14.720 -10.063 2.805 919 HA ASN 112 HA ASN 112 -16.700 -9.256 4.655 920 1HB ASN 112 1HB ASN 112 -15.232 -11.232 5.008 921 2HB ASN 112 2HB ASN 112 -13.864 -10.149 5.249 922 1HD2 ASN 112 2HD2 ASN 112 -13.768 -8.891 7.140 923 2HD2 ASN 112 1HD2 ASN 112 -14.750 -9.244 8.522 924 H GLU 113 H GLU 113 -13.433 -8.031 3.962 925 HA GLU 113 HA GLU 113 -13.493 -5.934 5.864 926 1HB GLU 113 1HB GLU 113 -11.971 -5.874 3.246 927 2HB GLU 113 2HB GLU 113 -11.568 -5.041 4.741 928 1HG GLU 113 1HG GLU 113 -11.357 -7.978 4.136 929 2HG GLU 113 2HG GLU 113 -10.063 -6.850 4.533 930 H GLU 114 H GLU 114 -14.409 -6.178 2.492 931 HA GLU 114 HA GLU 114 -15.081 -3.499 1.988 932 1HB GLU 114 1HB GLU 114 -14.790 -5.070 0.184 933 2HB GLU 114 2HB GLU 114 -16.070 -6.101 0.802 934 1HG GLU 114 1HG GLU 114 -17.722 -4.376 0.279 935 2HG GLU 114 2HG GLU 114 -16.438 -3.330 -0.329 936 H LYS 115 H LYS 115 -16.825 -6.102 3.542 937 HA LYS 115 HA LYS 115 -19.082 -4.275 4.051 938 1HB LYS 115 1HB LYS 115 -19.226 -7.214 3.331 939 2HB LYS 115 2HB LYS 115 -20.600 -6.248 3.860 940 1HG LYS 115 1HG LYS 115 -20.477 -4.867 1.914 941 2HG LYS 115 2HG LYS 115 -18.943 -5.590 1.428 942 1HD LYS 115 1HD LYS 115 -20.080 -7.746 1.085 943 2HD LYS 115 2HD LYS 115 -21.614 -7.005 1.555 944 1HE LYS 115 1HE LYS 115 -21.550 -5.528 -0.344 945 2HE LYS 115 2HE LYS 115 -19.920 -6.057 -0.759 946 1HZ LYS 115 1HZ LYS 115 -21.571 -7.101 -2.168 947 2HZ LYS 115 2HZ LYS 115 -22.354 -7.754 -0.820 948 3HZ LYS 115 3HZ LYS 115 -20.791 -8.263 -1.217 949 H ASP 116 H ASP 116 -16.967 -4.527 5.780 950 HA ASP 116 HA ASP 116 -17.480 -6.350 7.910 951 1HB ASP 116 1HB ASP 116 -15.286 -5.369 7.719 952 2HB ASP 116 2HB ASP 116 -15.947 -3.741 7.797 953 H LYS 117 H LYS 117 -17.869 -2.813 7.835 954 HA LYS 117 HA LYS 117 -20.497 -3.011 9.066 955 1HB LYS 117 1HB LYS 117 -18.135 -1.635 10.362 956 2HB LYS 117 2HB LYS 117 -19.788 -1.160 10.721 957 1HG LYS 117 1HG LYS 117 -18.649 -3.925 11.133 958 2HG LYS 117 2HG LYS 117 -18.852 -2.705 12.393 959 1HD LYS 117 1HD LYS 117 -21.090 -3.892 10.734 960 2HD LYS 117 2HD LYS 117 -20.681 -4.373 12.381 961 1HE LYS 117 1HE LYS 117 -21.202 -2.138 13.190 962 2HE LYS 117 2HE LYS 117 -21.533 -1.596 11.546 963 1HZ LYS 117 1HZ LYS 117 -23.567 -2.080 12.726 964 2HZ LYS 117 2HZ LYS 117 -23.061 -3.662 13.036 965 3HZ LYS 117 3HZ LYS 117 -23.372 -3.170 11.449 Start of MODEL 6 1 1H SER 1 1H SER 1 6.842 14.431 -0.238 2 2H SER 1 2H SER 1 5.240 13.914 -0.238 3 3H SER 1 3H SER 1 5.600 15.537 0.042 4 HA SER 1 HA SER 1 4.769 15.257 -2.174 5 1HB SER 1 1HB SER 1 6.467 16.995 -1.796 6 2HB SER 1 2HB SER 1 7.752 15.820 -2.074 7 HG SER 1 HG SER 1 6.643 17.324 -3.864 8 H MET 2 H MET 2 4.972 14.305 -4.247 9 HA MET 2 HA MET 2 5.396 11.558 -4.312 10 1HB MET 2 1HB MET 2 4.061 12.953 -5.947 11 2HB MET 2 2HB MET 2 5.581 13.420 -6.695 12 1HG MET 2 1HG MET 2 4.610 11.655 -7.978 13 2HG MET 2 2HG MET 2 6.032 11.018 -7.147 14 1HE MET 2 1HE MET 2 3.782 9.170 -8.468 15 2HE MET 2 2HE MET 2 3.581 7.942 -7.218 16 3HE MET 2 3HE MET 2 5.195 8.522 -7.634 17 H ASN 3 H ASN 3 7.570 14.209 -4.922 18 HA ASN 3 HA ASN 3 9.642 12.895 -6.257 19 1HB ASN 3 1HB ASN 3 9.503 15.344 -6.044 20 2HB ASN 3 2HB ASN 3 9.828 15.218 -4.319 21 1HD2 ASN 3 2HD2 ASN 3 11.172 14.965 -7.520 22 2HD2 ASN 3 1HD2 ASN 3 12.832 14.976 -7.037 23 H GLU 4 H GLU 4 8.818 13.001 -2.848 24 HA GLU 4 HA GLU 4 11.281 12.120 -1.802 25 1HB GLU 4 1HB GLU 4 8.503 11.700 -0.676 26 2HB GLU 4 2HB GLU 4 10.011 11.526 0.216 27 1HG GLU 4 1HG GLU 4 10.487 13.911 -0.161 28 2HG GLU 4 2HG GLU 4 8.941 14.070 -0.993 29 H LEU 5 H LEU 5 8.499 10.387 -3.098 30 HA LEU 5 HA LEU 5 9.577 7.791 -2.507 31 1HB LEU 5 1HB LEU 5 7.165 8.044 -2.869 32 2HB LEU 5 2HB LEU 5 7.452 8.618 -4.504 33 HG LEU 5 HG LEU 5 8.482 6.385 -5.037 34 1HD1 LEU 5 1HD1 LEU 5 7.364 5.607 -2.345 35 2HD1 LEU 5 2HD1 LEU 5 9.071 5.693 -2.784 36 3HD1 LEU 5 3HD1 LEU 5 8.023 4.500 -3.551 37 1HD2 LEU 5 1HD2 LEU 5 6.380 5.187 -5.264 38 2HD2 LEU 5 2HD2 LEU 5 6.173 6.891 -5.673 39 3HD2 LEU 5 3HD2 LEU 5 5.609 6.285 -4.115 40 H GLU 6 H GLU 6 9.457 9.925 -5.334 41 HA GLU 6 HA GLU 6 10.754 8.061 -7.085 42 1HB GLU 6 1HB GLU 6 9.135 9.846 -7.803 43 2HB GLU 6 2HB GLU 6 10.381 11.041 -7.468 44 1HG GLU 6 1HG GLU 6 11.834 9.728 -9.116 45 2HG GLU 6 2HG GLU 6 10.344 8.921 -9.598 46 H ALA 7 H ALA 7 11.946 9.945 -4.622 47 HA ALA 7 HA ALA 7 14.140 11.304 -5.453 48 1HB ALA 7 1HB ALA 7 13.361 11.226 -3.132 49 2HB ALA 7 2HB ALA 7 15.100 10.958 -3.248 50 3HB ALA 7 3HB ALA 7 14.014 9.596 -2.970 51 H GLN 8 H GLN 8 14.090 7.800 -4.778 52 HA GLN 8 HA GLN 8 16.896 7.509 -5.287 53 1HB GLN 8 1HB GLN 8 14.732 5.402 -5.060 54 2HB GLN 8 2HB GLN 8 16.455 5.070 -5.131 55 1HG GLN 8 1HG GLN 8 15.763 4.925 -2.853 56 2HG GLN 8 2HG GLN 8 16.740 6.380 -3.032 57 1HE2 GLN 8 2HE2 GLN 8 15.843 7.339 -1.197 58 2HE2 GLN 8 1HE2 GLN 8 14.223 7.944 -1.169 59 H THR 9 H THR 9 17.903 6.514 -7.080 60 HA THR 9 HA THR 9 16.566 7.452 -9.487 61 HB THR 9 HB THR 9 19.474 6.669 -9.169 62 HG1 THR 9 HG1 THR 9 19.803 8.532 -8.211 63 1HG2 THR 9 1HG2 THR 9 18.740 6.915 -11.487 64 2HG2 THR 9 2HG2 THR 9 19.815 8.236 -11.037 65 3HG2 THR 9 3HG2 THR 9 18.075 8.507 -11.124 66 H ARG 10 H ARG 10 15.976 6.276 -11.155 67 HA ARG 10 HA ARG 10 15.543 4.581 -12.573 68 1HB ARG 10 1HB ARG 10 18.379 4.093 -11.805 69 2HB ARG 10 2HB ARG 10 17.551 2.807 -12.670 70 1HG ARG 10 1HG ARG 10 18.827 4.304 -14.152 71 2HG ARG 10 2HG ARG 10 17.106 4.267 -14.534 72 1HD ARG 10 1HD ARG 10 16.765 6.393 -13.468 73 2HD ARG 10 2HD ARG 10 18.418 6.402 -12.856 74 HE ARG 10 HE ARG 10 18.948 6.341 -15.414 75 1HH1 ARG 10 1HH1 ARG 10 16.377 8.130 -13.859 76 2HH1 ARG 10 2HH1 ARG 10 16.418 9.433 -14.998 77 1HH2 ARG 10 1HH2 ARG 10 19.031 8.076 -16.897 78 2HH2 ARG 10 2HH2 ARG 10 17.937 9.412 -16.710 79 H VAL 11 H VAL 11 15.470 4.068 -9.367 80 HA VAL 11 HA VAL 11 14.447 1.334 -9.748 81 HB VAL 11 HB VAL 11 16.152 1.455 -7.997 82 1HG1 VAL 11 1HG1 VAL 11 14.327 3.425 -6.612 83 2HG1 VAL 11 2HG1 VAL 11 15.886 3.796 -7.349 84 3HG1 VAL 11 3HG1 VAL 11 15.806 2.734 -5.943 85 1HG2 VAL 11 1HG2 VAL 11 14.341 -0.165 -7.737 86 2HG2 VAL 11 2HG2 VAL 11 13.382 1.026 -6.860 87 3HG2 VAL 11 3HG2 VAL 11 14.887 0.422 -6.167 88 H LYS 12 H LYS 12 13.723 4.566 -8.571 89 HA LYS 12 HA LYS 12 11.011 3.780 -7.837 90 1HB LYS 12 1HB LYS 12 12.445 6.435 -7.643 91 2HB LYS 12 2HB LYS 12 10.813 6.134 -7.063 92 1HG LYS 12 1HG LYS 12 13.304 4.756 -6.068 93 2HG LYS 12 2HG LYS 12 12.468 6.082 -5.259 94 1HD LYS 12 1HD LYS 12 10.409 4.584 -5.241 95 2HD LYS 12 2HD LYS 12 11.481 3.270 -5.733 96 1HE LYS 12 1HE LYS 12 11.238 3.173 -3.350 97 2HE LYS 12 2HE LYS 12 12.869 3.745 -3.701 98 1HZ LYS 12 1HZ LYS 12 11.986 5.087 -1.976 99 2HZ LYS 12 2HZ LYS 12 10.550 5.365 -2.816 100 3HZ LYS 12 3HZ LYS 12 11.995 6.043 -3.372 101 H LEU 13 H LEU 13 12.698 5.384 -10.404 102 HA LEU 13 HA LEU 13 10.460 6.752 -11.508 103 1HB LEU 13 1HB LEU 13 13.109 5.940 -12.717 104 2HB LEU 13 2HB LEU 13 11.906 6.886 -13.573 105 HG LEU 13 HG LEU 13 12.105 8.645 -11.787 106 1HD1 LEU 13 1HD1 LEU 13 12.988 7.279 -9.976 107 2HD1 LEU 13 2HD1 LEU 13 14.075 8.621 -10.334 108 3HD1 LEU 13 3HD1 LEU 13 14.470 6.993 -10.891 109 1HD2 LEU 13 1HD2 LEU 13 13.255 8.885 -13.918 110 2HD2 LEU 13 2HD2 LEU 13 14.628 7.964 -13.302 111 3HD2 LEU 13 3HD2 LEU 13 14.237 9.538 -12.607 112 H ASN 14 H ASN 14 12.020 3.639 -12.205 113 HA ASN 14 HA ASN 14 10.289 2.867 -14.309 114 1HB ASN 14 1HB ASN 14 11.892 1.164 -12.374 115 2HB ASN 14 2HB ASN 14 11.087 0.548 -13.814 116 1HD2 ASN 14 2HD2 ASN 14 13.916 0.551 -13.083 117 2HD2 ASN 14 1HD2 ASN 14 14.735 1.352 -14.379 118 H TYR 15 H TYR 15 10.294 2.215 -10.832 119 HA TYR 15 HA TYR 15 7.951 0.765 -10.583 120 1HB TYR 15 1HB TYR 15 9.453 1.125 -8.696 121 2HB TYR 15 2HB TYR 15 9.111 2.850 -8.713 122 HD1 TYR 15 HD2 TYR 15 7.546 -0.479 -8.118 123 HD2 TYR 15 HD1 TYR 15 7.303 3.725 -7.460 124 HE1 TYR 15 HE2 TYR 15 5.718 -0.835 -6.513 125 HE2 TYR 15 HE1 TYR 15 5.481 3.375 -5.860 126 HH TYR 15 HH TYR 15 3.715 1.592 -5.443 127 H LEU 16 H LEU 16 8.406 4.285 -10.574 128 HA LEU 16 HA LEU 16 5.793 5.113 -10.202 129 1HB LEU 16 1HB LEU 16 7.575 6.719 -10.176 130 2HB LEU 16 2HB LEU 16 8.029 6.333 -11.825 131 HG LEU 16 HG LEU 16 5.895 7.309 -12.626 132 1HD1 LEU 16 1HD1 LEU 16 4.534 8.660 -11.098 133 2HD1 LEU 16 2HD1 LEU 16 5.506 8.094 -9.739 134 3HD1 LEU 16 3HD1 LEU 16 4.522 6.953 -10.656 135 1HD2 LEU 16 1HD2 LEU 16 6.485 9.653 -12.220 136 2HD2 LEU 16 2HD2 LEU 16 7.908 8.677 -12.586 137 3HD2 LEU 16 3HD2 LEU 16 7.570 9.155 -10.922 138 H ASP 17 H ASP 17 7.484 4.493 -13.268 139 HA ASP 17 HA ASP 17 5.445 5.063 -15.043 140 1HB ASP 17 1HB ASP 17 7.783 4.516 -15.696 141 2HB ASP 17 2HB ASP 17 7.484 2.828 -15.295 142 H GLN 18 H GLN 18 6.269 1.837 -13.766 143 HA GLN 18 HA GLN 18 4.064 0.511 -14.912 144 1HB GLN 18 1HB GLN 18 6.074 -0.658 -14.123 145 2HB GLN 18 2HB GLN 18 5.675 -0.239 -12.461 146 1HG GLN 18 1HG GLN 18 3.543 -1.532 -12.745 147 2HG GLN 18 2HG GLN 18 4.160 -2.078 -14.303 148 1HE2 GLN 18 2HE2 GLN 18 6.144 -1.578 -11.455 149 2HE2 GLN 18 1HE2 GLN 18 6.519 -3.244 -11.195 150 H ILE 19 H ILE 19 4.577 1.487 -11.525 151 HA ILE 19 HA ILE 19 2.183 0.479 -10.526 152 HB ILE 19 HB ILE 19 4.260 1.278 -9.225 153 1HG1 ILE 19 1HG1 ILE 19 2.817 1.940 -7.211 154 2HG1 ILE 19 2HG1 ILE 19 1.433 1.781 -8.291 155 1HG2 ILE 19 1HG2 ILE 19 4.343 3.565 -10.062 156 2HG2 ILE 19 2HG2 ILE 19 4.193 3.534 -8.306 157 3HG2 ILE 19 3HG2 ILE 19 2.789 3.912 -9.305 158 1HD1 ILE 19 1HD1 ILE 19 3.410 -0.390 -7.623 159 2HD1 ILE 19 2HD1 ILE 19 2.016 -0.551 -8.693 160 3HD1 ILE 19 3HD1 ILE 19 1.777 -0.229 -6.975 161 H ALA 20 H ALA 20 2.963 3.735 -11.713 162 HA ALA 20 HA ALA 20 0.452 4.871 -11.027 163 1HB ALA 20 1HB ALA 20 1.130 6.761 -12.420 164 2HB ALA 20 2HB ALA 20 2.463 5.811 -13.078 165 3HB ALA 20 3HB ALA 20 2.451 6.248 -11.369 166 H LYS 21 H LYS 21 1.803 3.607 -14.074 167 HA LYS 21 HA LYS 21 -0.448 4.286 -15.633 168 1HB LYS 21 1HB LYS 21 1.973 2.604 -16.016 169 2HB LYS 21 2HB LYS 21 0.625 2.298 -17.097 170 1HG LYS 21 1HG LYS 21 2.297 3.864 -18.020 171 2HG LYS 21 2HG LYS 21 0.679 4.548 -17.924 172 1HD LYS 21 1HD LYS 21 2.626 5.053 -15.694 173 2HD LYS 21 2HD LYS 21 2.785 5.953 -17.202 174 1HE LYS 21 1HE LYS 21 0.360 6.608 -16.941 175 2HE LYS 21 2HE LYS 21 0.415 5.900 -15.329 176 1HZ LYS 21 1HZ LYS 21 2.059 8.167 -16.313 177 2HZ LYS 21 2HZ LYS 21 2.205 7.469 -14.782 178 3HZ LYS 21 3HZ LYS 21 0.772 8.260 -15.217 179 H PHE 22 H PHE 22 0.172 1.514 -13.588 180 HA PHE 22 HA PHE 22 -1.846 -0.171 -14.594 181 1HB PHE 22 1HB PHE 22 -0.295 -1.051 -12.963 182 2HB PHE 22 2HB PHE 22 -0.801 0.140 -11.765 183 HD1 PHE 22 HD1 PHE 22 -2.207 -2.615 -13.861 184 HD2 PHE 22 HD2 PHE 22 -2.390 -0.491 -10.163 185 HE1 PHE 22 HE1 PHE 22 -3.930 -4.170 -13.049 186 HE2 PHE 22 HE2 PHE 22 -4.108 -2.047 -9.355 187 HZ PHE 22 HZ PHE 22 -4.881 -3.888 -10.798 188 H TRP 23 H TRP 23 -1.999 2.155 -11.907 189 HA TRP 23 HA TRP 23 -4.829 1.707 -11.562 190 1HB TRP 23 1HB TRP 23 -3.313 2.007 -9.648 191 2HB TRP 23 2HB TRP 23 -2.938 3.635 -10.194 192 HD1 TRP 23 HD1 TRP 23 -3.987 5.179 -8.463 193 HE1 TRP 23 HE1 TRP 23 -6.295 5.420 -7.359 194 HE3 TRP 23 HE3 TRP 23 -6.250 1.037 -10.410 195 HZ2 TRP 23 HZ2 TRP 23 -8.754 4.024 -7.304 196 HZ3 TRP 23 HZ3 TRP 23 -8.575 0.555 -9.795 197 HH2 TRP 23 HH2 TRP 23 -9.806 2.018 -8.266 198 H GLU 24 H GLU 24 -2.773 4.190 -12.921 199 HA GLU 24 HA GLU 24 -4.750 6.249 -12.951 200 1HB GLU 24 1HB GLU 24 -2.282 6.627 -12.866 201 2HB GLU 24 2HB GLU 24 -2.168 6.056 -14.523 202 1HG GLU 24 1HG GLU 24 -3.459 7.931 -15.309 203 2HG GLU 24 2HG GLU 24 -3.768 8.460 -13.655 204 H ILE 25 H ILE 25 -3.946 3.623 -15.035 205 HA ILE 25 HA ILE 25 -5.676 4.682 -17.168 206 HB ILE 25 HB ILE 25 -3.600 2.488 -17.144 207 1HG1 ILE 25 1HG1 ILE 25 -2.750 3.741 -19.137 208 2HG1 ILE 25 2HG1 ILE 25 -4.017 4.933 -18.892 209 1HG2 ILE 25 1HG2 ILE 25 -4.237 1.885 -19.444 210 2HG2 ILE 25 2HG2 ILE 25 -5.655 2.925 -19.314 211 3HG2 ILE 25 3HG2 ILE 25 -5.507 1.504 -18.280 212 1HD1 ILE 25 1HD1 ILE 25 -1.800 4.306 -16.957 213 2HD1 ILE 25 2HD1 ILE 25 -3.050 5.532 -16.743 214 3HD1 ILE 25 3HD1 ILE 25 -1.870 5.692 -18.043 215 H GLN 26 H GLN 26 -5.650 2.515 -14.542 216 HA GLN 26 HA GLN 26 -7.346 0.450 -15.274 217 1HB GLN 26 1HB GLN 26 -6.135 0.783 -13.070 218 2HB GLN 26 2HB GLN 26 -7.428 1.874 -12.604 219 1HG GLN 26 1HG GLN 26 -7.927 -0.991 -13.386 220 2HG GLN 26 2HG GLN 26 -7.540 -0.511 -11.740 221 1HE2 GLN 26 2HE2 GLN 26 -9.056 1.995 -11.940 222 2HE2 GLN 26 1HE2 GLN 26 -10.722 1.548 -11.872 223 H GLY 27 H GLY 27 -8.040 3.792 -14.783 224 1HA GLY 27 1HA GLY 27 -10.185 4.564 -15.805 225 2HA GLY 27 2HA GLY 27 -10.955 3.281 -14.876 226 H SER 28 H SER 28 -8.309 4.931 -13.457 227 HA SER 28 HA SER 28 -9.956 6.809 -11.977 228 1HB SER 28 1HB SER 28 -8.427 4.570 -10.601 229 2HB SER 28 2HB SER 28 -9.225 5.917 -9.783 230 HG SER 28 HG SER 28 -11.184 5.117 -10.340 231 H SER 29 H SER 29 -8.471 8.025 -10.372 232 HA SER 29 HA SER 29 -5.894 8.528 -11.685 233 1HB SER 29 1HB SER 29 -5.972 10.662 -10.301 234 2HB SER 29 2HB SER 29 -7.224 10.514 -11.533 235 HG SER 29 HG SER 29 -8.723 10.146 -10.002 236 H LEU 30 H LEU 30 -3.971 8.495 -10.525 237 HA LEU 30 HA LEU 30 -3.914 6.806 -8.204 238 1HB LEU 30 1HB LEU 30 -2.166 6.669 -9.918 239 2HB LEU 30 2HB LEU 30 -1.704 8.331 -9.599 240 HG LEU 30 HG LEU 30 -0.984 7.697 -7.324 241 1HD1 LEU 30 1HD1 LEU 30 -2.495 5.825 -6.941 242 2HD1 LEU 30 2HD1 LEU 30 -0.819 5.337 -6.695 243 3HD1 LEU 30 3HD1 LEU 30 -1.662 4.880 -8.177 244 1HD2 LEU 30 1HD2 LEU 30 1.005 6.429 -7.964 245 2HD2 LEU 30 2HD2 LEU 30 0.641 7.685 -9.148 246 3HD2 LEU 30 3HD2 LEU 30 0.246 6.002 -9.499 247 H LYS 31 H LYS 31 -3.679 7.383 -6.123 248 HA LYS 31 HA LYS 31 -3.033 10.149 -5.430 249 1HB LYS 31 1HB LYS 31 -5.495 10.056 -5.559 250 2HB LYS 31 2HB LYS 31 -5.506 8.712 -4.423 251 1HG LYS 31 1HG LYS 31 -4.417 10.230 -2.747 252 2HG LYS 31 2HG LYS 31 -4.664 11.558 -3.882 253 1HD LYS 31 1HD LYS 31 -6.833 9.823 -2.683 254 2HD LYS 31 2HD LYS 31 -6.436 11.467 -2.186 255 1HE LYS 31 1HE LYS 31 -7.053 12.298 -4.403 256 2HE LYS 31 2HE LYS 31 -7.416 10.653 -4.929 257 1HZ LYS 31 1HZ LYS 31 -9.427 11.805 -4.317 258 2HZ LYS 31 2HZ LYS 31 -8.813 12.150 -2.781 259 3HZ LYS 31 3HZ LYS 31 -9.140 10.551 -3.219 260 H ILE 32 H ILE 32 -1.247 9.795 -4.286 261 HA ILE 32 HA ILE 32 -1.479 8.093 -1.898 262 HB ILE 32 HB ILE 32 1.038 7.720 -2.094 263 1HG1 ILE 32 1HG1 ILE 32 0.486 8.573 -4.955 264 2HG1 ILE 32 2HG1 ILE 32 1.533 9.400 -3.807 265 1HG2 ILE 32 1HG2 ILE 32 0.769 5.780 -3.572 266 2HG2 ILE 32 2HG2 ILE 32 -0.758 6.438 -4.160 267 3HG2 ILE 32 3HG2 ILE 32 -0.601 5.948 -2.473 268 1HD1 ILE 32 1HD1 ILE 32 2.832 8.124 -5.399 269 2HD1 ILE 32 2HD1 ILE 32 1.977 6.650 -4.947 270 3HD1 ILE 32 3HD1 ILE 32 3.024 7.458 -3.777 271 HA PRO 33 HA PRO 33 -0.912 12.476 -0.710 272 1HB PRO 33 1HB PRO 33 -2.108 11.458 1.807 273 2HB PRO 33 2HB PRO 33 -2.607 12.813 0.789 274 1HG PRO 33 1HG PRO 33 -4.022 10.555 0.839 275 2HG PRO 33 2HG PRO 33 -3.788 11.450 -0.678 276 1HD PRO 33 1HD PRO 33 -2.362 8.995 0.314 277 2HD PRO 33 2HD PRO 33 -3.008 9.342 -1.306 278 H ASN 34 H ASN 34 -0.364 13.270 1.741 279 HA ASN 34 HA ASN 34 2.139 11.903 2.482 280 1HB ASN 34 1HB ASN 34 1.746 14.903 2.364 281 2HB ASN 34 2HB ASN 34 3.249 14.039 2.656 282 1HD2 ASN 34 2HD2 ASN 34 0.871 14.930 0.258 283 2HD2 ASN 34 1HD2 ASN 34 1.852 14.590 -1.123 284 H VAL 35 H VAL 35 2.695 11.957 4.607 285 HA VAL 35 HA VAL 35 1.092 13.495 6.469 286 HB VAL 35 HB VAL 35 -0.195 11.494 6.542 287 1HG1 VAL 35 1HG1 VAL 35 1.281 10.016 5.335 288 2HG1 VAL 35 2HG1 VAL 35 0.787 9.256 6.849 289 3HG1 VAL 35 3HG1 VAL 35 2.395 9.965 6.699 290 1HG2 VAL 35 1HG2 VAL 35 1.767 11.298 8.825 291 2HG2 VAL 35 2HG2 VAL 35 0.127 10.654 8.794 292 3HG2 VAL 35 3HG2 VAL 35 0.390 12.397 8.756 293 H GLU 36 H GLU 36 2.373 14.426 7.936 294 HA GLU 36 HA GLU 36 4.123 14.921 9.285 295 1HB GLU 36 1HB GLU 36 4.735 11.965 9.089 296 2HB GLU 36 2HB GLU 36 5.472 13.083 10.224 297 1HG GLU 36 1HG GLU 36 2.564 12.301 10.110 298 2HG GLU 36 2HG GLU 36 3.738 11.798 11.318 299 H ARG 37 H ARG 37 4.328 14.827 6.335 300 HA ARG 37 HA ARG 37 5.798 15.485 4.751 301 1HB ARG 37 1HB ARG 37 7.786 15.512 7.027 302 2HB ARG 37 2HB ARG 37 8.239 15.888 5.371 303 1HG ARG 37 1HG ARG 37 7.883 17.978 6.318 304 2HG ARG 37 2HG ARG 37 6.369 17.659 5.471 305 1HD ARG 37 1HD ARG 37 5.894 18.567 7.658 306 2HD ARG 37 2HD ARG 37 5.387 16.875 7.605 307 HE ARG 37 HE ARG 37 8.035 17.088 8.586 308 1HH1 ARG 37 1HH1 ARG 37 4.714 17.622 9.543 309 2HH1 ARG 37 2HH1 ARG 37 5.032 17.380 11.231 310 1HH2 ARG 37 1HH2 ARG 37 8.459 16.762 10.795 311 2HH2 ARG 37 2HH2 ARG 37 7.170 16.910 11.946 312 H ARG 38 H ARG 38 5.380 12.624 5.758 313 HA ARG 38 HA ARG 38 7.387 11.485 3.922 314 1HB ARG 38 1HB ARG 38 7.635 10.298 5.944 315 2HB ARG 38 2HB ARG 38 5.904 10.272 6.249 316 1HG ARG 38 1HG ARG 38 6.701 8.058 5.649 317 2HG ARG 38 2HG ARG 38 5.593 8.672 4.424 318 1HD ARG 38 1HD ARG 38 7.416 7.594 3.313 319 2HD ARG 38 2HD ARG 38 7.566 9.330 3.054 320 HE ARG 38 HE ARG 38 9.088 8.638 5.297 321 1HH1 ARG 38 1HH1 ARG 38 9.059 7.985 1.854 322 2HH1 ARG 38 2HH1 ARG 38 10.792 7.910 1.733 323 1HH2 ARG 38 1HH2 ARG 38 11.344 8.481 5.154 324 2HH2 ARG 38 2HH2 ARG 38 12.097 8.176 3.621 325 H ILE 39 H ILE 39 6.614 11.188 1.973 326 HA ILE 39 HA ILE 39 3.876 11.196 1.270 327 HB ILE 39 HB ILE 39 5.756 11.820 -0.247 328 1HG1 ILE 39 1HG1 ILE 39 3.377 10.916 -1.005 329 2HG1 ILE 39 2HG1 ILE 39 4.625 11.300 -2.181 330 1HG2 ILE 39 1HG2 ILE 39 7.339 10.088 0.312 331 2HG2 ILE 39 2HG2 ILE 39 7.008 10.054 -1.421 332 3HG2 ILE 39 3HG2 ILE 39 6.275 8.850 -0.360 333 1HD1 ILE 39 1HD1 ILE 39 3.990 8.544 -1.150 334 2HD1 ILE 39 2HD1 ILE 39 5.185 8.950 -2.381 335 3HD1 ILE 39 3HD1 ILE 39 3.471 9.217 -2.694 336 H LEU 40 H LEU 40 2.597 9.404 0.476 337 HA LEU 40 HA LEU 40 2.830 7.084 2.094 338 1HB LEU 40 1HB LEU 40 0.675 7.998 1.255 339 2HB LEU 40 2HB LEU 40 1.120 7.501 -0.367 340 HG LEU 40 HG LEU 40 1.140 5.133 0.387 341 1HD1 LEU 40 1HD1 LEU 40 0.171 4.547 2.554 342 2HD1 LEU 40 2HD1 LEU 40 0.072 6.257 2.979 343 3HD1 LEU 40 3HD1 LEU 40 1.646 5.495 2.744 344 1HD2 LEU 40 1HD2 LEU 40 -1.288 4.880 0.580 345 2HD2 LEU 40 2HD2 LEU 40 -0.863 6.063 -0.656 346 3HD2 LEU 40 3HD2 LEU 40 -1.447 6.605 0.917 347 H ASP 41 H ASP 41 4.782 6.089 1.725 348 HA ASP 41 HA ASP 41 5.766 5.397 -0.852 349 1HB ASP 41 1HB ASP 41 6.543 4.775 1.966 350 2HB ASP 41 2HB ASP 41 7.137 3.694 0.715 351 H LEU 42 H LEU 42 3.857 4.437 -1.753 352 HA LEU 42 HA LEU 42 2.554 2.145 -0.912 353 1HB LEU 42 1HB LEU 42 2.186 3.708 -2.978 354 2HB LEU 42 2HB LEU 42 3.237 2.586 -3.815 355 HG LEU 42 HG LEU 42 0.638 1.790 -2.472 356 1HD1 LEU 42 1HD1 LEU 42 0.188 3.333 -4.300 357 2HD1 LEU 42 2HD1 LEU 42 -0.311 1.698 -4.729 358 3HD1 LEU 42 3HD1 LEU 42 1.184 2.364 -5.388 359 1HD2 LEU 42 1HD2 LEU 42 2.412 0.303 -4.420 360 2HD2 LEU 42 2HD2 LEU 42 0.849 -0.253 -3.817 361 3HD2 LEU 42 3HD2 LEU 42 2.205 -0.066 -2.706 362 H TYR 43 H TYR 43 5.618 2.505 -2.586 363 HA TYR 43 HA TYR 43 6.330 -0.060 -3.243 364 1HB TYR 43 1HB TYR 43 7.598 2.376 -3.131 365 2HB TYR 43 2HB TYR 43 8.459 1.492 -1.881 366 HD1 TYR 43 HD1 TYR 43 8.595 -1.238 -3.051 367 HD2 TYR 43 HD2 TYR 43 9.075 2.576 -4.872 368 HE1 TYR 43 HE1 TYR 43 10.023 -2.246 -4.785 369 HE2 TYR 43 HE2 TYR 43 10.486 1.588 -6.605 370 HH TYR 43 HH TYR 43 11.865 -0.354 -6.983 371 H SER 44 H SER 44 7.156 1.542 -0.173 372 HA SER 44 HA SER 44 8.189 -0.784 1.048 373 1HB SER 44 1HB SER 44 8.700 1.656 1.631 374 2HB SER 44 2HB SER 44 7.175 1.663 2.512 375 HG SER 44 HG SER 44 9.472 0.921 3.431 376 H LEU 45 H LEU 45 5.042 0.771 1.076 377 HA LEU 45 HA LEU 45 3.813 -0.723 3.103 378 1HB LEU 45 1HB LEU 45 2.807 1.293 2.171 379 2HB LEU 45 2HB LEU 45 2.644 0.523 0.605 380 HG LEU 45 HG LEU 45 1.003 -1.058 1.551 381 1HD1 LEU 45 1HD1 LEU 45 0.087 -0.685 3.792 382 2HD1 LEU 45 2HD1 LEU 45 1.306 0.556 4.085 383 3HD1 LEU 45 3HD1 LEU 45 1.793 -1.124 3.852 384 1HD2 LEU 45 1HD2 LEU 45 0.214 0.992 0.506 385 2HD2 LEU 45 2HD2 LEU 45 0.354 1.851 2.040 386 3HD2 LEU 45 3HD2 LEU 45 -0.826 0.552 1.861 387 H SER 46 H SER 46 4.136 -1.305 -0.372 388 HA SER 46 HA SER 46 2.526 -3.609 -0.497 389 1HB SER 46 1HB SER 46 3.169 -2.295 -2.495 390 2HB SER 46 2HB SER 46 4.840 -2.821 -2.300 391 HG SER 46 HG SER 46 4.335 -4.588 -3.303 392 H LYS 47 H LYS 47 6.081 -3.226 -0.219 393 HA LYS 47 HA LYS 47 6.601 -6.001 -0.154 394 1HB LYS 47 1HB LYS 47 8.818 -5.454 0.705 395 2HB LYS 47 2HB LYS 47 8.382 -4.384 -0.620 396 1HG LYS 47 1HG LYS 47 7.851 -2.614 0.978 397 2HG LYS 47 2HG LYS 47 8.270 -3.685 2.314 398 1HD LYS 47 1HD LYS 47 10.245 -3.041 0.132 399 2HD LYS 47 2HD LYS 47 10.028 -1.976 1.518 400 1HE LYS 47 1HE LYS 47 11.902 -3.496 1.871 401 2HE LYS 47 2HE LYS 47 10.616 -3.809 3.031 402 1HZ LYS 47 1HZ LYS 47 10.000 -5.760 1.899 403 2HZ LYS 47 2HZ LYS 47 11.688 -5.807 1.989 404 3HZ LYS 47 3HZ LYS 47 10.934 -5.380 0.539 405 H ILE 48 H ILE 48 5.895 -3.675 2.427 406 HA ILE 48 HA ILE 48 6.348 -5.356 4.630 407 HB ILE 48 HB ILE 48 4.392 -3.078 4.258 408 1HG1 ILE 48 1HG1 ILE 48 6.961 -3.301 5.860 409 2HG1 ILE 48 2HG1 ILE 48 6.801 -2.506 4.298 410 1HG2 ILE 48 1HG2 ILE 48 4.028 -3.103 6.696 411 2HG2 ILE 48 2HG2 ILE 48 4.963 -4.595 6.813 412 3HG2 ILE 48 3HG2 ILE 48 3.437 -4.577 5.929 413 1HD1 ILE 48 1HD1 ILE 48 5.437 -1.671 6.852 414 2HD1 ILE 48 2HD1 ILE 48 5.286 -0.867 5.288 415 3HD1 ILE 48 3HD1 ILE 48 6.842 -0.898 6.117 416 H VAL 49 H VAL 49 3.350 -4.779 2.800 417 HA VAL 49 HA VAL 49 1.677 -6.515 4.187 418 HB VAL 49 HB VAL 49 1.657 -5.737 1.255 419 1HG1 VAL 49 1HG1 VAL 49 0.425 -7.824 1.504 420 2HG1 VAL 49 2HG1 VAL 49 -0.687 -6.489 1.201 421 3HG1 VAL 49 3HG1 VAL 49 -0.509 -7.136 2.833 422 1HG2 VAL 49 1HG2 VAL 49 -0.121 -4.190 1.934 423 2HG2 VAL 49 2HG2 VAL 49 1.373 -3.876 2.818 424 3HG2 VAL 49 3HG2 VAL 49 0.045 -4.728 3.606 425 H VAL 50 H VAL 50 3.767 -7.155 1.376 426 HA VAL 50 HA VAL 50 3.036 -9.860 1.023 427 HB VAL 50 HB VAL 50 5.611 -8.465 0.249 428 1HG1 VAL 50 1HG1 VAL 50 4.473 -11.098 -0.711 429 2HG1 VAL 50 2HG1 VAL 50 5.922 -10.881 0.273 430 3HG1 VAL 50 3HG1 VAL 50 5.886 -10.285 -1.387 431 1HG2 VAL 50 1HG2 VAL 50 3.645 -7.421 -0.750 432 2HG2 VAL 50 2HG2 VAL 50 3.090 -8.986 -1.342 433 3HG2 VAL 50 3HG2 VAL 50 4.577 -8.278 -1.977 434 H GLU 51 H GLU 51 5.701 -8.350 2.831 435 HA GLU 51 HA GLU 51 6.900 -10.834 3.580 436 1HB GLU 51 1HB GLU 51 7.263 -8.043 4.705 437 2HB GLU 51 2HB GLU 51 8.278 -9.427 5.103 438 1HG GLU 51 1HG GLU 51 8.998 -9.609 2.797 439 2HG GLU 51 2HG GLU 51 7.915 -8.303 2.328 440 H GLU 52 H GLU 52 4.349 -8.892 4.850 441 HA GLU 52 HA GLU 52 4.225 -10.259 7.393 442 1HB GLU 52 1HB GLU 52 2.460 -8.269 5.979 443 2HB GLU 52 2HB GLU 52 1.927 -9.062 7.452 444 1HG GLU 52 1HG GLU 52 4.427 -7.398 7.177 445 2HG GLU 52 2HG GLU 52 2.900 -6.839 7.856 446 H GLY 53 H GLY 53 2.926 -10.625 4.194 447 1HA GLY 53 1HA GLY 53 2.421 -12.867 3.475 448 2HA GLY 53 2HA GLY 53 1.740 -13.185 5.060 449 H GLY 54 H GLY 54 0.535 -10.256 4.558 450 1HA GLY 54 1HA GLY 54 -1.280 -10.343 2.488 451 2HA GLY 54 2HA GLY 54 -2.033 -11.266 3.780 452 H TYR 55 H TYR 55 -2.544 -8.572 2.432 453 HA TYR 55 HA TYR 55 -2.288 -6.498 4.286 454 1HB TYR 55 1HB TYR 55 -2.996 -5.703 2.252 455 2HB TYR 55 2HB TYR 55 -4.038 -7.084 1.952 456 HD1 TYR 55 HD2 TYR 55 -3.820 -3.967 3.987 457 HD2 TYR 55 HD1 TYR 55 -6.341 -6.885 2.195 458 HE1 TYR 55 HE2 TYR 55 -5.786 -2.618 4.577 459 HE2 TYR 55 HE1 TYR 55 -8.314 -5.542 2.775 460 HH TYR 55 HH TYR 55 -9.008 -3.852 4.250 461 H GLU 56 H GLU 56 -5.009 -8.753 3.801 462 HA GLU 56 HA GLU 56 -6.665 -7.878 5.837 463 1HB GLU 56 1HB GLU 56 -6.224 -10.637 4.717 464 2HB GLU 56 2HB GLU 56 -7.428 -10.320 5.958 465 1HG GLU 56 1HG GLU 56 -8.404 -8.596 4.380 466 2HG GLU 56 2HG GLU 56 -7.349 -9.283 3.138 467 H ALA 57 H ALA 57 -3.882 -10.040 6.031 468 HA ALA 57 HA ALA 57 -4.243 -10.933 8.662 469 1HB ALA 57 1HB ALA 57 -1.640 -10.476 7.191 470 2HB ALA 57 2HB ALA 57 -2.617 -11.943 7.125 471 3HB ALA 57 3HB ALA 57 -1.851 -11.462 8.638 472 H ILE 58 H ILE 58 -2.263 -8.245 7.428 473 HA ILE 58 HA ILE 58 -1.499 -7.231 9.947 474 HB ILE 58 HB ILE 58 -1.852 -5.563 7.450 475 1HG1 ILE 58 1HG1 ILE 58 0.561 -7.233 8.212 476 2HG1 ILE 58 2HG1 ILE 58 -0.580 -7.639 6.932 477 1HG2 ILE 58 1HG2 ILE 58 0.018 -4.269 8.387 478 2HG2 ILE 58 2HG2 ILE 58 0.036 -5.328 9.798 479 3HG2 ILE 58 3HG2 ILE 58 -1.369 -4.308 9.477 480 1HD1 ILE 58 1HD1 ILE 58 0.041 -5.597 5.739 481 2HD1 ILE 58 2HD1 ILE 58 1.430 -6.642 6.024 482 3HD1 ILE 58 3HD1 ILE 58 1.192 -5.206 7.017 483 H CYS 59 H CYS 59 -4.303 -6.720 7.924 484 HA CYS 59 HA CYS 59 -5.304 -4.423 9.274 485 1HB CYS 59 1HB CYS 59 -5.879 -5.067 6.923 486 2HB CYS 59 2HB CYS 59 -6.829 -6.405 7.559 487 HG CYS 59 HG CYS 59 -8.973 -5.022 7.543 488 H LYS 60 H LYS 60 -5.795 -7.890 9.603 489 HA LYS 60 HA LYS 60 -7.962 -7.640 11.479 490 1HB LYS 60 1HB LYS 60 -6.821 -9.725 9.909 491 2HB LYS 60 2HB LYS 60 -6.703 -10.235 11.585 492 1HG LYS 60 1HG LYS 60 -8.760 -11.035 10.529 493 2HG LYS 60 2HG LYS 60 -9.100 -9.946 11.874 494 1HD LYS 60 1HD LYS 60 -10.577 -9.448 10.009 495 2HD LYS 60 2HD LYS 60 -9.468 -8.103 10.269 496 1HE LYS 60 1HE LYS 60 -9.676 -8.513 7.902 497 2HE LYS 60 2HE LYS 60 -8.055 -8.966 8.419 498 1HZ LYS 60 1HZ LYS 60 -8.737 -11.278 8.426 499 2HZ LYS 60 2HZ LYS 60 -9.013 -10.591 6.907 500 3HZ LYS 60 3HZ LYS 60 -10.305 -10.848 7.961 501 H ASP 61 H ASP 61 -4.482 -8.182 11.638 502 HA ASP 61 HA ASP 61 -4.489 -8.337 14.538 503 1HB ASP 61 1HB ASP 61 -2.273 -8.313 12.480 504 2HB ASP 61 2HB ASP 61 -1.950 -8.264 14.211 505 H ARG 62 H ARG 62 -4.668 -5.927 12.258 506 HA ARG 62 HA ARG 62 -4.621 -3.671 12.333 507 1HB ARG 62 1HB ARG 62 -5.653 -4.502 14.770 508 2HB ARG 62 2HB ARG 62 -4.379 -3.393 15.257 509 1HG ARG 62 1HG ARG 62 -6.643 -2.755 13.363 510 2HG ARG 62 2HG ARG 62 -6.538 -2.267 15.056 511 1HD ARG 62 1HD ARG 62 -4.599 -0.913 14.594 512 2HD ARG 62 2HD ARG 62 -4.533 -1.500 12.933 513 HE ARG 62 HE ARG 62 -6.936 -0.399 12.936 514 1HH1 ARG 62 1HH1 ARG 62 -4.004 0.820 14.413 515 2HH1 ARG 62 2HH1 ARG 62 -4.374 2.482 14.070 516 1HH2 ARG 62 1HH2 ARG 62 -7.431 1.777 12.494 517 2HH2 ARG 62 2HH2 ARG 62 -6.325 3.028 12.978 518 H ARG 63 H ARG 63 -2.159 -5.100 12.103 519 HA ARG 63 HA ARG 63 -0.216 -4.089 13.944 520 1HB ARG 63 1HB ARG 63 -0.264 -6.294 12.441 521 2HB ARG 63 2HB ARG 63 0.611 -5.265 11.320 522 1HG ARG 63 1HG ARG 63 2.421 -6.034 12.413 523 2HG ARG 63 2HG ARG 63 2.007 -4.789 13.592 524 1HD ARG 63 1HD ARG 63 1.439 -7.745 13.701 525 2HD ARG 63 2HD ARG 63 2.355 -6.764 14.842 526 HE ARG 63 HE ARG 63 -0.466 -6.111 14.577 527 1HH1 ARG 63 1HH1 ARG 63 1.994 -7.831 16.376 528 2HH1 ARG 63 2HH1 ARG 63 0.997 -8.038 17.780 529 1HH2 ARG 63 1HH2 ARG 63 -1.804 -6.425 16.398 530 2HH2 ARG 63 2HH2 ARG 63 -1.173 -7.260 17.781 531 H TRP 64 H TRP 64 -1.752 -2.588 11.416 532 HA TRP 64 HA TRP 64 0.248 -1.362 9.923 533 1HB TRP 64 1HB TRP 64 -2.404 -0.139 10.719 534 2HB TRP 64 2HB TRP 64 -1.378 0.400 9.396 535 HD1 TRP 64 HD1 TRP 64 -4.344 -1.570 9.985 536 HE1 TRP 64 HE1 TRP 64 -4.877 -3.104 8.000 537 HE3 TRP 64 HE3 TRP 64 0.178 -1.390 7.526 538 HZ2 TRP 64 HZ2 TRP 64 -3.593 -4.107 5.730 539 HZ3 TRP 64 HZ3 TRP 64 0.411 -2.671 5.449 540 HH2 TRP 64 HH2 TRP 64 -1.435 -4.007 4.569 541 H ALA 65 H ALA 65 -0.882 -0.634 13.143 542 HA ALA 65 HA ALA 65 0.126 1.949 13.476 543 1HB ALA 65 1HB ALA 65 0.184 1.432 15.874 544 2HB ALA 65 2HB ALA 65 -0.002 -0.284 15.512 545 3HB ALA 65 3HB ALA 65 -1.303 0.843 15.129 546 H ARG 66 H ARG 66 1.660 -1.200 13.883 547 HA ARG 66 HA ARG 66 4.183 -0.217 14.744 548 1HB ARG 66 1HB ARG 66 3.375 -2.502 15.222 549 2HB ARG 66 2HB ARG 66 3.455 -2.887 13.507 550 1HG ARG 66 1HG ARG 66 5.870 -2.573 13.532 551 2HG ARG 66 2HG ARG 66 5.808 -2.139 15.243 552 1HD ARG 66 1HD ARG 66 4.801 -4.400 15.679 553 2HD ARG 66 2HD ARG 66 5.133 -4.802 13.994 554 HE ARG 66 HE ARG 66 7.372 -3.893 15.629 555 1HH1 ARG 66 1HH1 ARG 66 5.731 -6.527 14.010 556 2HH1 ARG 66 2HH1 ARG 66 7.028 -7.652 14.264 557 1HH2 ARG 66 1HH2 ARG 66 9.077 -5.370 15.954 558 2HH2 ARG 66 2HH2 ARG 66 8.928 -6.997 15.366 559 H VAL 67 H VAL 67 2.904 -1.298 11.610 560 HA VAL 67 HA VAL 67 5.319 -1.091 10.168 561 HB VAL 67 HB VAL 67 4.084 -1.381 8.196 562 1HG1 VAL 67 1HG1 VAL 67 3.785 -3.269 9.693 563 2HG1 VAL 67 2HG1 VAL 67 2.371 -3.044 8.664 564 3HG1 VAL 67 3HG1 VAL 67 2.324 -2.529 10.351 565 1HG2 VAL 67 1HG2 VAL 67 1.654 -0.184 9.496 566 2HG2 VAL 67 2HG2 VAL 67 1.795 -0.738 7.831 567 3HG2 VAL 67 3HG2 VAL 67 2.730 0.648 8.377 568 H ALA 68 H ALA 68 2.838 1.234 11.005 569 HA ALA 68 HA ALA 68 3.735 3.387 9.409 570 1HB ALA 68 1HB ALA 68 2.374 4.794 10.899 571 2HB ALA 68 2HB ALA 68 2.195 3.438 12.013 572 3HB ALA 68 3HB ALA 68 1.499 3.348 10.396 573 H GLN 69 H GLN 69 4.269 2.590 12.838 574 HA GLN 69 HA GLN 69 6.115 4.674 13.334 575 1HB GLN 69 1HB GLN 69 5.678 2.031 14.748 576 2HB GLN 69 2HB GLN 69 6.723 3.310 15.358 577 1HG GLN 69 1HG GLN 69 4.837 4.823 15.525 578 2HG GLN 69 2HG GLN 69 3.771 3.614 14.813 579 1HE2 GLN 69 2HE2 GLN 69 6.255 2.831 17.163 580 2HE2 GLN 69 1HE2 GLN 69 5.171 2.434 18.448 581 H ARG 70 H ARG 70 6.433 1.671 11.700 582 HA ARG 70 HA ARG 70 9.336 1.637 11.834 583 1HB ARG 70 1HB ARG 70 8.229 -0.507 11.723 584 2HB ARG 70 2HB ARG 70 7.322 -0.030 10.297 585 1HG ARG 70 1HG ARG 70 10.301 -0.047 10.136 586 2HG ARG 70 2HG ARG 70 9.452 -1.592 10.142 587 1HD ARG 70 1HD ARG 70 8.270 -1.060 8.155 588 2HD ARG 70 2HD ARG 70 8.728 0.641 8.246 589 HE ARG 70 HE ARG 70 11.096 -0.747 8.052 590 1HH1 ARG 70 1HH1 ARG 70 8.203 -0.448 6.112 591 2HH1 ARG 70 2HH1 ARG 70 9.026 -0.657 4.603 592 1HH2 ARG 70 1HH2 ARG 70 12.199 -1.027 6.069 593 2HH2 ARG 70 2HH2 ARG 70 11.310 -0.996 4.581 594 H LEU 71 H LEU 71 6.796 2.827 9.816 595 HA LEU 71 HA LEU 71 8.441 3.310 7.497 596 1HB LEU 71 1HB LEU 71 5.859 2.822 7.695 597 2HB LEU 71 2HB LEU 71 5.747 4.559 7.909 598 HG LEU 71 HG LEU 71 6.790 4.920 5.719 599 1HD1 LEU 71 1HD1 LEU 71 7.217 3.017 4.222 600 2HD1 LEU 71 2HD1 LEU 71 6.837 1.904 5.539 601 3HD1 LEU 71 3HD1 LEU 71 8.240 2.966 5.659 602 1HD2 LEU 71 1HD2 LEU 71 4.484 2.967 5.620 603 2HD2 LEU 71 2HD2 LEU 71 4.976 4.050 4.316 604 3HD2 LEU 71 3HD2 LEU 71 4.360 4.715 5.826 605 H ASN 72 H ASN 72 8.706 4.641 10.292 606 HA ASN 72 HA ASN 72 9.874 6.394 11.024 607 1HB ASN 72 1HB ASN 72 10.885 8.041 9.689 608 2HB ASN 72 2HB ASN 72 10.870 6.598 8.701 609 1HD2 ASN 72 2HD2 ASN 72 8.310 9.097 9.184 610 2HD2 ASN 72 1HD2 ASN 72 8.214 9.505 7.519 611 H TYR 73 H TYR 73 6.791 6.208 10.516 612 HA TYR 73 HA TYR 73 5.995 8.930 11.043 613 1HB TYR 73 1HB TYR 73 4.450 6.337 11.338 614 2HB TYR 73 2HB TYR 73 3.758 7.945 11.509 615 HD1 TYR 73 HD1 TYR 73 4.822 9.448 9.288 616 HD2 TYR 73 HD2 TYR 73 3.596 5.375 9.406 617 HE1 TYR 73 HE1 TYR 73 4.346 9.521 6.880 618 HE2 TYR 73 HE2 TYR 73 3.123 5.437 7.000 619 HH TYR 73 HH TYR 73 4.104 8.035 4.992 620 HA PRO 74 HA PRO 74 6.827 8.928 15.396 621 1HB PRO 74 1HB PRO 74 4.982 10.778 16.218 622 2HB PRO 74 2HB PRO 74 6.481 11.205 15.385 623 1HG PRO 74 1HG PRO 74 3.716 10.893 14.264 624 2HG PRO 74 2HG PRO 74 4.911 12.167 13.949 625 1HD PRO 74 1HD PRO 74 4.524 10.135 12.228 626 2HD PRO 74 2HD PRO 74 6.136 10.833 12.497 627 HA PRO 75 HA PRO 75 4.108 6.017 17.327 628 1HB PRO 75 1HB PRO 75 4.552 7.577 19.832 629 2HB PRO 75 2HB PRO 75 4.797 5.855 19.520 630 1HG PRO 75 1HG PRO 75 6.883 7.492 19.688 631 2HG PRO 75 2HG PRO 75 6.847 6.201 18.469 632 1HD PRO 75 1HD PRO 75 6.347 9.142 18.134 633 2HD PRO 75 2HD PRO 75 7.223 8.018 17.072 634 H GLY 76 H GLY 76 2.157 5.898 18.766 635 1HA GLY 76 1HA GLY 76 0.259 7.206 19.691 636 2HA GLY 76 2HA GLY 76 0.411 8.246 18.280 637 H LYS 77 H LYS 77 1.073 5.687 16.740 638 HA LYS 77 HA LYS 77 0.109 3.977 15.619 639 1HB LYS 77 1HB LYS 77 -2.099 4.092 17.687 640 2HB LYS 77 2HB LYS 77 -1.811 2.782 16.551 641 1HG LYS 77 1HG LYS 77 0.466 2.519 17.652 642 2HG LYS 77 2HG LYS 77 -0.136 3.595 18.915 643 1HD LYS 77 1HD LYS 77 -1.342 0.944 18.092 644 2HD LYS 77 2HD LYS 77 -0.423 1.256 19.561 645 1HE LYS 77 1HE LYS 77 -3.037 2.606 18.868 646 2HE LYS 77 2HE LYS 77 -2.897 1.180 19.892 647 1HZ LYS 77 1HZ LYS 77 -3.046 3.207 21.195 648 2HZ LYS 77 2HZ LYS 77 -1.660 3.818 20.443 649 3HZ LYS 77 3HZ LYS 77 -1.549 2.452 21.432 650 H ASN 78 H ASN 78 -1.660 6.886 16.139 651 HA ASN 78 HA ASN 78 -4.103 6.256 14.940 652 1HB ASN 78 1HB ASN 78 -3.377 8.291 16.399 653 2HB ASN 78 2HB ASN 78 -2.972 9.040 14.862 654 1HD2 ASN 78 2HD2 ASN 78 -5.153 7.951 13.334 655 2HD2 ASN 78 1HD2 ASN 78 -6.589 8.714 13.904 656 H ILE 79 H ILE 79 -1.080 7.307 13.472 657 HA ILE 79 HA ILE 79 -2.117 8.099 10.966 658 HB ILE 79 HB ILE 79 0.632 6.937 11.553 659 1HG1 ILE 79 1HG1 ILE 79 1.307 9.403 11.326 660 2HG1 ILE 79 2HG1 ILE 79 -0.403 9.786 11.471 661 1HG2 ILE 79 1HG2 ILE 79 -0.316 8.494 9.133 662 2HG2 ILE 79 2HG2 ILE 79 0.060 6.769 9.172 663 3HG2 ILE 79 3HG2 ILE 79 1.337 7.956 9.440 664 1HD1 ILE 79 1HD1 ILE 79 1.274 8.371 13.537 665 2HD1 ILE 79 2HD1 ILE 79 -0.440 8.764 13.691 666 3HD1 ILE 79 3HD1 ILE 79 0.755 10.056 13.586 667 H GLY 80 H GLY 80 -1.673 5.017 12.424 668 1HA GLY 80 1HA GLY 80 -1.505 3.310 10.221 669 2HA GLY 80 2HA GLY 80 -2.243 2.902 11.763 670 H SER 81 H SER 81 -4.352 4.784 11.748 671 HA SER 81 HA SER 81 -6.316 3.486 10.205 672 1HB SER 81 1HB SER 81 -6.388 6.282 11.391 673 2HB SER 81 2HB SER 81 -7.791 5.364 10.843 674 HG SER 81 HG SER 81 -7.796 4.809 12.889 675 H LEU 82 H LEU 82 -4.488 6.452 9.685 676 HA LEU 82 HA LEU 82 -5.734 7.328 7.326 677 1HB LEU 82 1HB LEU 82 -4.232 8.686 8.750 678 2HB LEU 82 2HB LEU 82 -2.876 7.693 8.274 679 HG LEU 82 HG LEU 82 -3.110 10.007 7.203 680 1HD1 LEU 82 1HD1 LEU 82 -2.803 7.613 5.395 681 2HD1 LEU 82 2HD1 LEU 82 -1.537 8.342 6.383 682 3HD1 LEU 82 3HD1 LEU 82 -2.248 9.252 5.051 683 1HD2 LEU 82 1HD2 LEU 82 -5.211 8.560 5.588 684 2HD2 LEU 82 2HD2 LEU 82 -4.546 10.154 5.233 685 3HD2 LEU 82 3HD2 LEU 82 -5.491 9.903 6.698 686 H LEU 83 H LEU 83 -2.954 5.225 7.884 687 HA LEU 83 HA LEU 83 -2.249 4.758 5.208 688 1HB LEU 83 1HB LEU 83 -0.756 4.243 7.049 689 2HB LEU 83 2HB LEU 83 -1.880 3.048 7.671 690 HG LEU 83 HG LEU 83 -1.509 1.675 5.633 691 1HD1 LEU 83 1HD1 LEU 83 -0.894 3.453 4.084 692 2HD1 LEU 83 2HD1 LEU 83 0.359 2.217 4.145 693 3HD1 LEU 83 3HD1 LEU 83 0.590 3.748 4.989 694 1HD2 LEU 83 1HD2 LEU 83 0.992 2.404 7.161 695 2HD2 LEU 83 2HD2 LEU 83 0.752 0.932 6.220 696 3HD2 LEU 83 3HD2 LEU 83 -0.227 1.230 7.656 697 H ARG 84 H ARG 84 -4.231 2.782 7.432 698 HA ARG 84 HA ARG 84 -4.863 0.780 5.556 699 1HB ARG 84 1HB ARG 84 -5.118 0.685 8.095 700 2HB ARG 84 2HB ARG 84 -6.604 1.597 7.899 701 1HG ARG 84 1HG ARG 84 -6.174 -1.014 6.468 702 2HG ARG 84 2HG ARG 84 -6.745 -0.962 8.134 703 1HD ARG 84 1HD ARG 84 -8.688 0.336 7.455 704 2HD ARG 84 2HD ARG 84 -8.097 0.394 5.796 705 HE ARG 84 HE ARG 84 -8.340 -2.296 6.599 706 1HH1 ARG 84 1HH1 ARG 84 -10.342 0.466 5.835 707 2HH1 ARG 84 2HH1 ARG 84 -11.647 -0.488 5.201 708 1HH2 ARG 84 1HH2 ARG 84 -10.084 -3.567 5.793 709 2HH2 ARG 84 2HH2 ARG 84 -11.510 -2.770 5.209 710 H SER 85 H SER 85 -6.384 3.840 6.367 711 HA SER 85 HA SER 85 -8.767 3.576 4.935 712 1HB SER 85 1HB SER 85 -8.335 5.419 6.518 713 2HB SER 85 2HB SER 85 -7.127 6.086 5.422 714 HG SER 85 HG SER 85 -9.585 6.743 5.449 715 H HIS 86 H HIS 86 -5.603 4.871 3.908 716 HA HIS 86 HA HIS 86 -6.420 5.423 1.245 717 1HB HIS 86 1HB HIS 86 -3.667 4.961 2.414 718 2HB HIS 86 2HB HIS 86 -3.945 5.448 0.746 719 HD1 HIS 86 HD1 HIS 86 -6.339 7.484 1.685 720 HD2 HIS 86 HD2 HIS 86 -2.383 7.382 2.958 721 HE1 HIS 86 HE1 HIS 86 -5.842 9.795 2.529 722 HE2 HIS 86 HE2 HIS 86 -3.485 9.676 3.403 723 H TYR 87 H TYR 87 -4.894 2.585 2.725 724 HA TYR 87 HA TYR 87 -4.382 1.138 0.389 725 1HB TYR 87 1HB TYR 87 -3.722 0.561 2.819 726 2HB TYR 87 2HB TYR 87 -5.325 -0.150 2.964 727 HD1 TYR 87 HD2 TYR 87 -5.916 -1.888 0.988 728 HD2 TYR 87 HD1 TYR 87 -1.974 -0.834 2.219 729 HE1 TYR 87 HE2 TYR 87 -5.052 -3.971 0.009 730 HE2 TYR 87 HE1 TYR 87 -1.108 -2.911 1.234 731 HH TYR 87 HH TYR 87 -2.019 -5.201 0.647 732 H GLU 88 H GLU 88 -7.236 1.251 2.445 733 HA GLU 88 HA GLU 88 -8.824 -0.694 1.351 734 1HB GLU 88 1HB GLU 88 -9.409 0.431 3.385 735 2HB GLU 88 2HB GLU 88 -9.542 1.976 2.560 736 1HG GLU 88 1HG GLU 88 -11.505 1.144 1.338 737 2HG GLU 88 2HG GLU 88 -11.373 -0.392 2.198 738 H ARG 89 H ARG 89 -8.298 2.578 0.094 739 HA ARG 89 HA ARG 89 -10.341 2.042 -1.976 740 1HB ARG 89 1HB ARG 89 -10.371 4.610 -2.161 741 2HB ARG 89 2HB ARG 89 -11.135 3.866 -0.762 742 1HG ARG 89 1HG ARG 89 -9.068 4.314 0.542 743 2HG ARG 89 2HG ARG 89 -8.420 5.174 -0.855 744 1HD ARG 89 1HD ARG 89 -9.466 6.621 0.923 745 2HD ARG 89 2HD ARG 89 -10.089 6.854 -0.706 746 HE ARG 89 HE ARG 89 -12.140 6.329 0.103 747 1HH1 ARG 89 1HH1 ARG 89 -9.807 4.689 2.153 748 2HH1 ARG 89 2HH1 ARG 89 -11.020 4.020 3.194 749 1HH2 ARG 89 1HH2 ARG 89 -13.711 5.498 1.523 750 2HH2 ARG 89 2HH2 ARG 89 -13.224 4.508 2.863 751 H ILE 90 H ILE 90 -7.018 2.311 -1.592 752 HA ILE 90 HA ILE 90 -6.710 3.037 -4.441 753 HB ILE 90 HB ILE 90 -4.817 3.703 -2.174 754 1HG1 ILE 90 1HG1 ILE 90 -6.775 5.196 -2.316 755 2HG1 ILE 90 2HG1 ILE 90 -5.293 6.043 -2.744 756 1HG2 ILE 90 1HG2 ILE 90 -4.498 4.187 -5.139 757 2HG2 ILE 90 2HG2 ILE 90 -3.541 3.086 -4.145 758 3HG2 ILE 90 3HG2 ILE 90 -3.440 4.828 -3.882 759 1HD1 ILE 90 1HD1 ILE 90 -7.118 6.669 -4.210 760 2HD1 ILE 90 2HD1 ILE 90 -7.349 4.984 -4.677 761 3HD1 ILE 90 3HD1 ILE 90 -5.860 5.825 -5.114 762 H VAL 91 H VAL 91 -5.074 1.320 -1.763 763 HA VAL 91 HA VAL 91 -3.427 -0.086 -3.722 764 HB VAL 91 HB VAL 91 -3.233 -0.275 -0.710 765 1HG1 VAL 91 1HG1 VAL 91 -0.903 -0.914 -1.161 766 2HG1 VAL 91 2HG1 VAL 91 -1.213 -0.815 -2.894 767 3HG1 VAL 91 3HG1 VAL 91 -2.043 -2.027 -1.918 768 1HG2 VAL 91 1HG2 VAL 91 -1.512 1.471 -0.818 769 2HG2 VAL 91 2HG2 VAL 91 -3.075 2.078 -1.363 770 3HG2 VAL 91 3HG2 VAL 91 -1.826 1.679 -2.542 771 H TYR 92 H TYR 92 -6.317 -0.665 -2.068 772 HA TYR 92 HA TYR 92 -6.052 -3.399 -1.434 773 1HB TYR 92 1HB TYR 92 -7.928 -1.690 -0.787 774 2HB TYR 92 2HB TYR 92 -8.697 -2.229 -2.272 775 HD1 TYR 92 HD2 TYR 92 -7.071 -5.087 -1.273 776 HD2 TYR 92 HD1 TYR 92 -10.288 -2.591 -0.023 777 HE1 TYR 92 HE2 TYR 92 -8.053 -6.972 -0.039 778 HE2 TYR 92 HE1 TYR 92 -11.271 -4.467 1.212 779 HH TYR 92 HH TYR 92 -9.581 -7.376 1.805 780 HA PRO 93 HA PRO 93 -7.844 -4.157 -5.987 781 1HB PRO 93 1HB PRO 93 -6.660 -1.708 -7.222 782 2HB PRO 93 2HB PRO 93 -8.169 -2.545 -7.607 783 1HG PRO 93 1HG PRO 93 -8.207 -0.241 -6.274 784 2HG PRO 93 2HG PRO 93 -9.323 -1.554 -5.847 785 1HD PRO 93 1HD PRO 93 -6.807 -0.678 -4.471 786 2HD PRO 93 2HD PRO 93 -8.346 -1.222 -3.769 787 H TYR 94 H TYR 94 -4.881 -2.615 -4.987 788 HA TYR 94 HA TYR 94 -3.214 -3.815 -6.975 789 1HB TYR 94 1HB TYR 94 -2.709 -2.239 -4.483 790 2HB TYR 94 2HB TYR 94 -1.386 -3.163 -5.183 791 HD1 TYR 94 HD2 TYR 94 -3.700 -0.339 -5.739 792 HD2 TYR 94 HD1 TYR 94 -0.363 -2.504 -7.246 793 HE1 TYR 94 HE2 TYR 94 -3.233 1.491 -7.301 794 HE2 TYR 94 HE1 TYR 94 0.105 -0.689 -8.827 795 HH TYR 94 HH TYR 94 -0.919 1.185 -9.848 796 H GLU 95 H GLU 95 -4.177 -4.708 -3.661 797 HA GLU 95 HA GLU 95 -2.438 -6.936 -3.502 798 1HB GLU 95 1HB GLU 95 -3.548 -6.196 -1.477 799 2HB GLU 95 2HB GLU 95 -5.131 -6.526 -2.177 800 1HG GLU 95 1HG GLU 95 -4.811 -8.855 -2.100 801 2HG GLU 95 2HG GLU 95 -3.075 -8.696 -1.858 802 H MET 96 H MET 96 -5.790 -6.598 -4.601 803 HA MET 96 HA MET 96 -6.289 -9.191 -5.445 804 1HB MET 96 1HB MET 96 -7.968 -7.374 -5.431 805 2HB MET 96 2HB MET 96 -7.155 -6.612 -6.787 806 1HG MET 96 1HG MET 96 -8.945 -7.693 -7.779 807 2HG MET 96 2HG MET 96 -7.617 -8.817 -8.038 808 1HE MET 96 1HE MET 96 -7.218 -10.557 -5.539 809 2HE MET 96 2HE MET 96 -7.531 -11.230 -7.138 810 3HE MET 96 3HE MET 96 -8.446 -11.805 -5.744 811 H TYR 97 H TYR 97 -4.709 -6.546 -7.172 812 HA TYR 97 HA TYR 97 -4.244 -7.908 -9.603 813 1HB TYR 97 1HB TYR 97 -4.165 -5.542 -9.643 814 2HB TYR 97 2HB TYR 97 -3.039 -5.469 -8.298 815 HD1 TYR 97 HD2 TYR 97 -2.990 -7.240 -11.619 816 HD2 TYR 97 HD1 TYR 97 -1.043 -4.533 -8.964 817 HE1 TYR 97 HE2 TYR 97 -1.117 -7.038 -13.200 818 HE2 TYR 97 HE1 TYR 97 0.829 -4.321 -10.537 819 HH TYR 97 HH TYR 97 1.851 -5.746 -12.388 820 H GLN 98 H GLN 98 -1.848 -7.002 -7.123 821 HA GLN 98 HA GLN 98 0.268 -8.468 -8.187 822 1HB GLN 98 1HB GLN 98 0.561 -6.645 -6.573 823 2HB GLN 98 2HB GLN 98 -0.211 -7.607 -5.322 824 1HG GLN 98 1HG GLN 98 1.616 -9.170 -5.315 825 2HG GLN 98 2HG GLN 98 2.358 -8.372 -6.702 826 1HE2 GLN 98 2HE2 GLN 98 0.867 -6.601 -4.065 827 2HE2 GLN 98 1HE2 GLN 98 2.335 -5.945 -3.431 828 H SER 99 H SER 99 -1.824 -9.308 -5.412 829 HA SER 99 HA SER 99 -0.693 -11.872 -5.029 830 1HB SER 99 1HB SER 99 -1.973 -10.661 -3.276 831 2HB SER 99 2HB SER 99 -3.447 -10.883 -4.216 832 HG SER 99 HG SER 99 -1.927 -13.144 -3.569 833 H GLY 100 H GLY 100 -3.552 -10.745 -6.833 834 1HA GLY 100 1HA GLY 100 -4.540 -13.284 -7.550 835 2HA GLY 100 2HA GLY 100 -4.844 -11.787 -8.417 836 H ALA 101 H ALA 101 -2.046 -11.273 -8.981 837 HA ALA 101 HA ALA 101 -1.845 -12.789 -11.404 838 1HB ALA 101 1HB ALA 101 0.079 -10.784 -10.218 839 2HB ALA 101 2HB ALA 101 -1.243 -10.417 -11.325 840 3HB ALA 101 3HB ALA 101 0.113 -11.404 -11.870 841 H ASN 102 H ASN 102 -0.088 -12.710 -8.332 842 HA ASN 102 HA ASN 102 1.812 -14.712 -9.305 843 1HB ASN 102 1HB ASN 102 1.657 -13.143 -6.722 844 2HB ASN 102 2HB ASN 102 2.856 -14.399 -7.013 845 1HD2 ASN 102 2HD2 ASN 102 1.787 -11.201 -7.894 846 2HD2 ASN 102 1HD2 ASN 102 3.226 -10.733 -8.730 847 H LEU 103 H LEU 103 -0.242 -14.381 -6.409 848 HA LEU 103 HA LEU 103 -1.399 -16.936 -6.562 849 1HB LEU 103 1HB LEU 103 -0.249 -17.963 -4.566 850 2HB LEU 103 2HB LEU 103 0.711 -17.892 -6.028 851 HG LEU 103 HG LEU 103 1.634 -15.659 -4.918 852 1HD1 LEU 103 1HD1 LEU 103 0.785 -17.270 -2.510 853 2HD1 LEU 103 2HD1 LEU 103 0.172 -15.683 -2.974 854 3HD1 LEU 103 3HD1 LEU 103 1.856 -15.869 -2.489 855 1HD2 LEU 103 1HD2 LEU 103 2.514 -18.420 -4.073 856 2HD2 LEU 103 2HD2 LEU 103 3.486 -16.950 -3.983 857 3HD2 LEU 103 3HD2 LEU 103 2.989 -17.583 -5.551 858 H VAL 104 H VAL 104 -3.184 -16.955 -5.223 859 HA VAL 104 HA VAL 104 -3.378 -14.759 -3.283 860 HB VAL 104 HB VAL 104 -4.258 -13.918 -5.413 861 1HG1 VAL 104 1HG1 VAL 104 -4.955 -16.035 -6.414 862 2HG1 VAL 104 2HG1 VAL 104 -6.277 -14.869 -6.419 863 3HG1 VAL 104 3HG1 VAL 104 -6.260 -16.177 -5.234 864 1HG2 VAL 104 1HG2 VAL 104 -6.425 -14.402 -3.358 865 2HG2 VAL 104 2HG2 VAL 104 -6.451 -13.160 -4.609 866 3HG2 VAL 104 3HG2 VAL 104 -5.239 -13.096 -3.329 867 H CYS 105 H CYS 105 -4.479 -15.185 -1.517 868 HA CYS 105 HA CYS 105 -6.388 -17.435 -1.469 869 1HB CYS 105 1HB CYS 105 -5.791 -17.656 0.971 870 2HB CYS 105 2HB CYS 105 -4.483 -18.073 -0.131 871 HG CYS 105 HG CYS 105 -4.747 -15.080 1.522 872 H ASN 106 H ASN 106 -5.626 -14.156 -0.700 873 HA ASN 106 HA ASN 106 -7.598 -13.552 1.197 874 1HB ASN 106 1HB ASN 106 -6.221 -11.762 -0.823 875 2HB ASN 106 2HB ASN 106 -7.207 -11.178 0.514 876 1HD2 ASN 106 2HD2 ASN 106 -5.407 -10.041 1.306 877 2HD2 ASN 106 1HD2 ASN 106 -4.122 -10.852 2.132 878 H THR 107 H THR 107 -7.912 -14.172 -2.144 879 HA THR 107 HA THR 107 -9.921 -12.452 -2.952 880 HB THR 107 HB THR 107 -8.765 -13.939 -4.514 881 HG1 THR 107 HG1 THR 107 -10.545 -14.321 -5.794 882 1HG2 THR 107 1HG2 THR 107 -9.392 -16.312 -4.700 883 2HG2 THR 107 2HG2 THR 107 -10.390 -16.160 -3.254 884 3HG2 THR 107 3HG2 THR 107 -8.640 -15.962 -3.143 885 H ARG 108 H ARG 108 -10.147 -15.240 -0.846 886 HA ARG 108 HA ARG 108 -13.041 -15.324 -1.064 887 1HB ARG 108 1HB ARG 108 -11.121 -17.001 0.566 888 2HB ARG 108 2HB ARG 108 -12.867 -17.211 0.588 889 1HG ARG 108 1HG ARG 108 -12.845 -17.743 -1.796 890 2HG ARG 108 2HG ARG 108 -11.098 -17.496 -1.841 891 1HD ARG 108 1HD ARG 108 -11.721 -19.880 -1.714 892 2HD ARG 108 2HD ARG 108 -10.755 -19.358 -0.334 893 HE ARG 108 HE ARG 108 -13.220 -19.088 0.642 894 1HH1 ARG 108 1HH1 ARG 108 -11.818 -21.716 -1.198 895 2HH1 ARG 108 2HH1 ARG 108 -12.773 -22.937 -0.416 896 1HH2 ARG 108 1HH2 ARG 108 -14.453 -20.711 1.694 897 2HH2 ARG 108 2HH2 ARG 108 -14.252 -22.371 1.221 898 HA PRO 109 HA PRO 109 -12.756 -13.990 3.589 899 1HB PRO 109 1HB PRO 109 -10.001 -12.930 3.843 900 2HB PRO 109 2HB PRO 109 -10.917 -13.958 4.949 901 1HG PRO 109 1HG PRO 109 -8.889 -14.945 3.514 902 2HG PRO 109 2HG PRO 109 -10.351 -15.905 3.820 903 1HD PRO 109 1HD PRO 109 -9.568 -14.381 1.352 904 2HD PRO 109 2HD PRO 109 -10.271 -16.005 1.494 905 H PHE 110 H PHE 110 -11.226 -12.373 0.953 906 HA PHE 110 HA PHE 110 -11.394 -9.695 1.438 907 1HB PHE 110 1HB PHE 110 -10.877 -11.012 -0.745 908 2HB PHE 110 2HB PHE 110 -12.600 -10.912 -1.057 909 HD1 PHE 110 HD1 PHE 110 -13.301 -8.176 -0.340 910 HD2 PHE 110 HD2 PHE 110 -9.789 -9.681 -2.225 911 HE1 PHE 110 HE1 PHE 110 -12.957 -5.996 -1.439 912 HE2 PHE 110 HE2 PHE 110 -9.443 -7.507 -3.321 913 HZ PHE 110 HZ PHE 110 -11.027 -5.664 -2.930 914 H ASP 111 H ASP 111 -14.037 -11.804 0.390 915 HA ASP 111 HA ASP 111 -16.122 -9.929 0.437 916 1HB ASP 111 1HB ASP 111 -16.376 -12.034 -0.731 917 2HB ASP 111 2HB ASP 111 -16.145 -12.943 0.757 918 H ASN 112 H ASN 112 -14.637 -11.817 2.952 919 HA ASN 112 HA ASN 112 -16.712 -11.535 4.879 920 1HB ASN 112 1HB ASN 112 -15.080 -13.335 5.093 921 2HB ASN 112 2HB ASN 112 -13.769 -12.171 5.243 922 1HD2 ASN 112 2HD2 ASN 112 -16.565 -13.557 6.817 923 2HD2 ASN 112 1HD2 ASN 112 -16.146 -13.065 8.420 924 H GLU 113 H GLU 113 -13.483 -9.947 4.669 925 HA GLU 113 HA GLU 113 -13.990 -8.166 6.792 926 1HB GLU 113 1HB GLU 113 -11.712 -8.664 5.887 927 2HB GLU 113 2HB GLU 113 -12.101 -7.703 4.465 928 1HG GLU 113 1HG GLU 113 -12.451 -5.738 5.940 929 2HG GLU 113 2HG GLU 113 -11.935 -6.715 7.312 930 H GLU 114 H GLU 114 -14.527 -7.891 3.321 931 HA GLU 114 HA GLU 114 -15.268 -5.169 3.255 932 1HB GLU 114 1HB GLU 114 -14.680 -6.674 1.290 933 2HB GLU 114 2HB GLU 114 -16.297 -7.348 1.417 934 1HG GLU 114 1HG GLU 114 -15.768 -4.414 0.979 935 2HG GLU 114 2HG GLU 114 -15.943 -5.568 -0.338 936 H LYS 115 H LYS 115 -17.248 -8.123 3.445 937 HA LYS 115 HA LYS 115 -19.675 -6.574 3.876 938 1HB LYS 115 1HB LYS 115 -19.578 -8.617 2.421 939 2HB LYS 115 2HB LYS 115 -19.263 -9.577 3.858 940 1HG LYS 115 1HG LYS 115 -21.459 -8.917 4.759 941 2HG LYS 115 2HG LYS 115 -21.766 -7.989 3.290 942 1HD LYS 115 1HD LYS 115 -22.884 -10.070 3.021 943 2HD LYS 115 2HD LYS 115 -21.455 -10.134 1.994 944 1HE LYS 115 1HE LYS 115 -21.644 -11.345 4.756 945 2HE LYS 115 2HE LYS 115 -21.887 -12.234 3.258 946 1HZ LYS 115 1HZ LYS 115 -19.616 -11.788 2.635 947 2HZ LYS 115 2HZ LYS 115 -19.649 -12.501 4.170 948 3HZ LYS 115 3HZ LYS 115 -19.376 -10.846 4.019 949 H ASP 116 H ASP 116 -17.278 -7.002 5.814 950 HA ASP 116 HA ASP 116 -16.940 -6.922 8.045 951 1HB ASP 116 1HB ASP 116 -19.958 -7.118 8.226 952 2HB ASP 116 2HB ASP 116 -18.906 -6.969 9.631 953 H LYS 117 H LYS 117 -19.515 -9.282 7.392 954 HA LYS 117 HA LYS 117 -17.704 -11.469 7.829 955 1HB LYS 117 1HB LYS 117 -19.891 -10.852 9.801 956 2HB LYS 117 2HB LYS 117 -19.482 -12.530 9.464 957 1HG LYS 117 1HG LYS 117 -17.156 -12.084 10.118 958 2HG LYS 117 2HG LYS 117 -17.590 -10.414 10.490 959 1HD LYS 117 1HD LYS 117 -19.043 -11.114 12.262 960 2HD LYS 117 2HD LYS 117 -18.881 -12.809 11.797 961 1HE LYS 117 1HE LYS 117 -16.664 -11.045 12.844 962 2HE LYS 117 2HE LYS 117 -17.521 -12.281 13.766 963 1HZ LYS 117 1HZ LYS 117 -15.797 -12.728 11.388 964 2HZ LYS 117 2HZ LYS 117 -16.704 -13.932 12.151 965 3HZ LYS 117 3HZ LYS 117 -15.450 -13.164 12.985 Start of MODEL 7 1 1H SER 1 1H SER 1 6.083 14.944 -0.135 2 2H SER 1 2H SER 1 6.645 16.535 -0.195 3 3H SER 1 3H SER 1 7.691 15.252 -0.545 4 HA SER 1 HA SER 1 5.302 15.980 -2.128 5 1HB SER 1 1HB SER 1 7.126 17.662 -2.284 6 2HB SER 1 2HB SER 1 8.252 16.385 -2.743 7 HG SER 1 HG SER 1 5.901 17.108 -4.181 8 H MET 2 H MET 2 5.826 15.009 -4.468 9 HA MET 2 HA MET 2 5.819 12.190 -4.222 10 1HB MET 2 1HB MET 2 4.803 13.645 -6.084 11 2HB MET 2 2HB MET 2 6.420 13.695 -6.773 12 1HG MET 2 1HG MET 2 5.160 11.982 -7.871 13 2HG MET 2 2HG MET 2 6.402 11.218 -6.878 14 1HE MET 2 1HE MET 2 3.864 9.671 -8.074 15 2HE MET 2 2HE MET 2 3.375 8.696 -6.689 16 3HE MET 2 3HE MET 2 5.084 8.873 -7.082 17 H ASN 3 H ASN 3 8.306 14.478 -4.350 18 HA ASN 3 HA ASN 3 10.389 13.250 -5.675 19 1HB ASN 3 1HB ASN 3 10.460 15.566 -4.822 20 2HB ASN 3 2HB ASN 3 10.572 14.952 -3.178 21 1HD2 ASN 3 2HD2 ASN 3 12.209 13.676 -6.046 22 2HD2 ASN 3 1HD2 ASN 3 13.810 14.020 -5.496 23 H GLU 4 H GLU 4 9.394 12.836 -2.285 24 HA GLU 4 HA GLU 4 11.562 11.351 -1.398 25 1HB GLU 4 1HB GLU 4 8.671 11.089 -0.550 26 2HB GLU 4 2HB GLU 4 10.017 10.330 0.284 27 1HG GLU 4 1HG GLU 4 9.743 12.195 1.564 28 2HG GLU 4 2HG GLU 4 10.933 12.784 0.407 29 H LEU 5 H LEU 5 8.740 10.266 -3.238 30 HA LEU 5 HA LEU 5 9.576 7.513 -3.116 31 1HB LEU 5 1HB LEU 5 7.183 8.133 -3.402 32 2HB LEU 5 2HB LEU 5 7.557 8.771 -4.992 33 HG LEU 5 HG LEU 5 8.316 5.930 -4.469 34 1HD1 LEU 5 1HD1 LEU 5 6.103 5.081 -4.956 35 2HD1 LEU 5 2HD1 LEU 5 5.451 6.723 -4.974 36 3HD1 LEU 5 3HD1 LEU 5 6.083 6.041 -3.474 37 1HD2 LEU 5 1HD2 LEU 5 7.082 7.319 -6.851 38 2HD2 LEU 5 2HD2 LEU 5 7.627 5.640 -6.794 39 3HD2 LEU 5 3HD2 LEU 5 8.796 6.951 -6.634 40 H GLU 6 H GLU 6 9.652 10.103 -5.547 41 HA GLU 6 HA GLU 6 10.858 8.527 -7.587 42 1HB GLU 6 1HB GLU 6 10.799 11.539 -7.259 43 2HB GLU 6 2HB GLU 6 11.210 10.680 -8.738 44 1HG GLU 6 1HG GLU 6 8.941 9.747 -8.819 45 2HG GLU 6 2HG GLU 6 8.532 10.626 -7.345 46 H ALA 7 H ALA 7 12.162 9.662 -4.744 47 HA ALA 7 HA ALA 7 14.571 10.821 -5.236 48 1HB ALA 7 1HB ALA 7 15.326 9.953 -3.101 49 2HB ALA 7 2HB ALA 7 14.054 8.731 -3.127 50 3HB ALA 7 3HB ALA 7 13.634 10.440 -3.006 51 H GLN 8 H GLN 8 14.244 7.252 -4.850 52 HA GLN 8 HA GLN 8 17.001 6.890 -5.585 53 1HB GLN 8 1HB GLN 8 14.842 4.804 -5.196 54 2HB GLN 8 2HB GLN 8 16.566 4.488 -5.318 55 1HG GLN 8 1HG GLN 8 15.189 6.039 -3.129 56 2HG GLN 8 2HG GLN 8 15.819 4.399 -3.011 57 1HE2 GLN 8 2HE2 GLN 8 16.477 6.786 -1.470 58 2HE2 GLN 8 1HE2 GLN 8 18.181 7.014 -1.644 59 H THR 9 H THR 9 17.824 5.852 -7.429 60 HA THR 9 HA THR 9 16.302 6.715 -9.750 61 HB THR 9 HB THR 9 19.222 5.922 -9.599 62 HG1 THR 9 HG1 THR 9 19.635 7.929 -8.948 63 1HG2 THR 9 1HG2 THR 9 19.435 7.300 -11.629 64 2HG2 THR 9 2HG2 THR 9 17.694 7.583 -11.617 65 3HG2 THR 9 3HG2 THR 9 18.320 5.955 -11.881 66 H ARG 10 H ARG 10 15.774 5.548 -11.453 67 HA ARG 10 HA ARG 10 15.222 3.823 -12.794 68 1HB ARG 10 1HB ARG 10 17.695 3.849 -13.098 69 2HB ARG 10 2HB ARG 10 17.835 2.632 -11.838 70 1HG ARG 10 1HG ARG 10 16.522 1.071 -13.209 71 2HG ARG 10 2HG ARG 10 16.411 2.293 -14.477 72 1HD ARG 10 1HD ARG 10 18.967 1.075 -13.425 73 2HD ARG 10 2HD ARG 10 18.170 0.640 -14.937 74 HE ARG 10 HE ARG 10 18.589 3.367 -15.059 75 1HH1 ARG 10 1HH1 ARG 10 20.590 0.503 -14.740 76 2HH1 ARG 10 2HH1 ARG 10 21.953 1.218 -15.547 77 1HH2 ARG 10 1HH2 ARG 10 20.390 4.294 -16.121 78 2HH2 ARG 10 2HH2 ARG 10 21.838 3.354 -16.322 79 H VAL 11 H VAL 11 15.113 3.458 -9.556 80 HA VAL 11 HA VAL 11 13.952 0.764 -9.783 81 HB VAL 11 HB VAL 11 15.706 0.789 -8.119 82 1HG1 VAL 11 1HG1 VAL 11 15.622 2.202 -6.122 83 2HG1 VAL 11 2HG1 VAL 11 14.203 3.029 -6.764 84 3HG1 VAL 11 3HG1 VAL 11 15.753 3.166 -7.594 85 1HG2 VAL 11 1HG2 VAL 11 12.987 0.734 -6.797 86 2HG2 VAL 11 2HG2 VAL 11 14.460 0.008 -6.154 87 3HG2 VAL 11 3HG2 VAL 11 13.756 -0.604 -7.650 88 H LYS 12 H LYS 12 13.454 4.014 -8.455 89 HA LYS 12 HA LYS 12 10.761 3.360 -7.613 90 1HB LYS 12 1HB LYS 12 12.195 6.026 -7.621 91 2HB LYS 12 2HB LYS 12 10.676 5.671 -6.809 92 1HG LYS 12 1HG LYS 12 13.335 4.398 -6.166 93 2HG LYS 12 2HG LYS 12 12.586 5.712 -5.261 94 1HD LYS 12 1HD LYS 12 11.341 2.983 -5.652 95 2HD LYS 12 2HD LYS 12 12.284 3.450 -4.238 96 1HE LYS 12 1HE LYS 12 9.794 4.899 -5.143 97 2HE LYS 12 2HE LYS 12 9.788 3.593 -3.961 98 1HZ LYS 12 1HZ LYS 12 11.201 6.190 -3.688 99 2HZ LYS 12 2HZ LYS 12 11.268 4.922 -2.567 100 3HZ LYS 12 3HZ LYS 12 9.803 5.714 -2.857 101 H LEU 13 H LEU 13 12.336 4.916 -10.296 102 HA LEU 13 HA LEU 13 10.101 6.278 -11.372 103 1HB LEU 13 1HB LEU 13 12.617 5.239 -12.695 104 2HB LEU 13 2HB LEU 13 11.415 6.203 -13.529 105 HG LEU 13 HG LEU 13 11.840 8.042 -11.861 106 1HD1 LEU 13 1HD1 LEU 13 13.920 7.984 -10.577 107 2HD1 LEU 13 2HD1 LEU 13 14.184 6.312 -11.072 108 3HD1 LEU 13 3HD1 LEU 13 12.803 6.724 -10.055 109 1HD2 LEU 13 1HD2 LEU 13 12.812 8.082 -14.096 110 2HD2 LEU 13 2HD2 LEU 13 14.194 7.144 -13.524 111 3HD2 LEU 13 3HD2 LEU 13 13.919 8.776 -12.912 112 H ASN 14 H ASN 14 11.487 3.083 -11.985 113 HA ASN 14 HA ASN 14 9.706 2.205 -13.961 114 1HB ASN 14 1HB ASN 14 11.828 1.062 -13.347 115 2HB ASN 14 2HB ASN 14 11.102 0.563 -11.824 116 1HD2 ASN 14 2HD2 ASN 14 11.376 -1.603 -12.275 117 2HD2 ASN 14 1HD2 ASN 14 10.424 -2.439 -13.450 118 H TYR 15 H TYR 15 9.665 1.697 -10.449 119 HA TYR 15 HA TYR 15 7.184 0.425 -10.259 120 1HB TYR 15 1HB TYR 15 8.796 0.480 -8.409 121 2HB TYR 15 2HB TYR 15 8.571 2.217 -8.244 122 HD1 TYR 15 HD2 TYR 15 6.965 -1.081 -7.755 123 HD2 TYR 15 HD1 TYR 15 6.680 3.114 -7.057 124 HE1 TYR 15 HE2 TYR 15 5.141 -1.473 -6.152 125 HE2 TYR 15 HE1 TYR 15 4.858 2.729 -5.455 126 HH TYR 15 HH TYR 15 4.046 -0.404 -4.293 127 H LEU 16 H LEU 16 8.050 3.830 -10.417 128 HA LEU 16 HA LEU 16 5.586 4.958 -9.702 129 1HB LEU 16 1HB LEU 16 7.747 6.194 -9.936 130 2HB LEU 16 2HB LEU 16 7.620 6.041 -11.674 131 HG LEU 16 HG LEU 16 6.973 8.288 -10.640 132 1HD1 LEU 16 1HD1 LEU 16 4.932 6.932 -12.400 133 2HD1 LEU 16 2HD1 LEU 16 6.417 7.710 -12.948 134 3HD1 LEU 16 3HD1 LEU 16 5.145 8.670 -12.196 135 1HD2 LEU 16 1HD2 LEU 16 4.714 8.487 -9.756 136 2HD2 LEU 16 2HD2 LEU 16 5.686 7.407 -8.759 137 3HD2 LEU 16 3HD2 LEU 16 4.496 6.741 -9.878 138 H ASP 17 H ASP 17 6.899 4.090 -12.892 139 HA ASP 17 HA ASP 17 4.680 4.825 -14.433 140 1HB ASP 17 1HB ASP 17 6.856 4.271 -15.423 141 2HB ASP 17 2HB ASP 17 6.676 2.593 -14.922 142 H GLN 18 H GLN 18 5.511 1.708 -12.958 143 HA GLN 18 HA GLN 18 3.290 0.240 -13.846 144 1HB GLN 18 1HB GLN 18 5.341 -0.727 -12.802 145 2HB GLN 18 2HB GLN 18 4.809 -0.107 -11.246 146 1HG GLN 18 1HG GLN 18 2.740 -1.507 -11.495 147 2HG GLN 18 2HG GLN 18 3.480 -2.231 -12.921 148 1HE2 GLN 18 2HE2 GLN 18 5.179 -1.289 -9.990 149 2HE2 GLN 18 1HE2 GLN 18 5.618 -2.889 -9.510 150 H ILE 19 H ILE 19 3.802 1.855 -10.726 151 HA ILE 19 HA ILE 19 1.305 1.139 -9.609 152 HB ILE 19 HB ILE 19 3.449 1.832 -8.380 153 1HG1 ILE 19 1HG1 ILE 19 2.130 2.971 -6.511 154 2HG1 ILE 19 2HG1 ILE 19 0.736 2.911 -7.586 155 1HG2 ILE 19 1HG2 ILE 19 3.710 4.194 -7.822 156 2HG2 ILE 19 2HG2 ILE 19 2.373 4.607 -8.896 157 3HG2 ILE 19 3HG2 ILE 19 3.861 3.929 -9.559 158 1HD1 ILE 19 1HD1 ILE 19 2.303 0.551 -6.571 159 2HD1 ILE 19 2HD1 ILE 19 0.927 0.473 -7.672 160 3HD1 ILE 19 3HD1 ILE 19 0.707 1.066 -6.026 161 H ALA 20 H ALA 20 2.347 3.804 -11.588 162 HA ALA 20 HA ALA 20 0.090 5.481 -11.003 163 1HB ALA 20 1HB ALA 20 0.916 6.890 -12.821 164 2HB ALA 20 2HB ALA 20 2.071 5.639 -13.281 165 3HB ALA 20 3HB ALA 20 2.224 6.451 -11.722 166 H LYS 21 H LYS 21 1.079 3.563 -13.860 167 HA LYS 21 HA LYS 21 -1.324 4.278 -15.237 168 1HB LYS 21 1HB LYS 21 0.884 2.346 -15.955 169 2HB LYS 21 2HB LYS 21 -0.474 2.722 -17.011 170 1HG LYS 21 1HG LYS 21 1.658 4.622 -16.035 171 2HG LYS 21 2HG LYS 21 1.396 4.058 -17.688 172 1HD LYS 21 1HD LYS 21 -0.773 5.206 -17.742 173 2HD LYS 21 2HD LYS 21 -0.536 5.747 -16.080 174 1HE LYS 21 1HE LYS 21 1.503 6.968 -16.838 175 2HE LYS 21 2HE LYS 21 1.096 6.525 -18.495 176 1HZ LYS 21 1HZ LYS 21 0.330 8.760 -17.885 177 2HZ LYS 21 2HZ LYS 21 -0.665 8.092 -16.691 178 3HZ LYS 21 3HZ LYS 21 -0.949 7.744 -18.318 179 H PHE 22 H PHE 22 -0.354 1.461 -13.347 180 HA PHE 22 HA PHE 22 -2.327 -0.310 -14.297 181 1HB PHE 22 1HB PHE 22 -0.542 -1.150 -12.883 182 2HB PHE 22 2HB PHE 22 -1.062 -0.129 -11.546 183 HD1 PHE 22 HD1 PHE 22 -1.776 -3.196 -13.450 184 HD2 PHE 22 HD2 PHE 22 -2.998 -0.708 -10.215 185 HE1 PHE 22 HE1 PHE 22 -3.243 -4.988 -12.624 186 HE2 PHE 22 HE2 PHE 22 -4.460 -2.497 -9.380 187 HZ PHE 22 HZ PHE 22 -4.586 -4.643 -10.588 188 H TRP 23 H TRP 23 -2.422 2.184 -11.803 189 HA TRP 23 HA TRP 23 -5.183 1.526 -11.145 190 1HB TRP 23 1HB TRP 23 -3.564 1.981 -9.338 191 2HB TRP 23 2HB TRP 23 -3.341 3.614 -9.956 192 HD1 TRP 23 HD1 TRP 23 -4.346 5.010 -8.020 193 HE1 TRP 23 HE1 TRP 23 -6.656 5.175 -6.919 194 HE3 TRP 23 HE3 TRP 23 -6.581 0.965 -10.206 195 HZ2 TRP 23 HZ2 TRP 23 -9.113 3.771 -6.957 196 HZ3 TRP 23 HZ3 TRP 23 -8.910 0.449 -9.637 197 HH2 TRP 23 HH2 TRP 23 -10.153 1.821 -8.036 198 H GLU 24 H GLU 24 -3.341 4.284 -12.419 199 HA GLU 24 HA GLU 24 -5.444 6.114 -12.573 200 1HB GLU 24 1HB GLU 24 -3.079 6.731 -12.823 201 2HB GLU 24 2HB GLU 24 -3.010 5.881 -14.359 202 1HG GLU 24 1HG GLU 24 -4.690 7.450 -15.266 203 2HG GLU 24 2HG GLU 24 -4.653 8.330 -13.738 204 H ILE 25 H ILE 25 -4.224 3.855 -15.049 205 HA ILE 25 HA ILE 25 -6.150 4.698 -17.005 206 HB ILE 25 HB ILE 25 -4.491 2.163 -17.072 207 1HG1 ILE 25 1HG1 ILE 25 -3.000 4.066 -16.673 208 2HG1 ILE 25 2HG1 ILE 25 -2.799 3.471 -18.316 209 1HG2 ILE 25 1HG2 ILE 25 -5.702 3.833 -19.284 210 2HG2 ILE 25 2HG2 ILE 25 -6.262 2.249 -18.747 211 3HG2 ILE 25 3HG2 ILE 25 -4.683 2.410 -19.515 212 1HD1 ILE 25 1HD1 ILE 25 -2.758 5.892 -18.234 213 2HD1 ILE 25 2HD1 ILE 25 -4.363 5.912 -17.499 214 3HD1 ILE 25 3HD1 ILE 25 -4.155 5.322 -19.150 215 H GLN 26 H GLN 26 -6.333 2.706 -14.297 216 HA GLN 26 HA GLN 26 -8.287 0.819 -15.203 217 1HB GLN 26 1HB GLN 26 -6.848 0.467 -13.199 218 2HB GLN 26 2HB GLN 26 -7.709 1.762 -12.384 219 1HG GLN 26 1HG GLN 26 -8.586 -0.301 -11.594 220 2HG GLN 26 2HG GLN 26 -9.808 0.433 -12.628 221 1HE2 GLN 26 2HE2 GLN 26 -9.522 -2.335 -11.858 222 2HE2 GLN 26 1HE2 GLN 26 -9.334 -3.245 -13.318 223 H GLY 27 H GLY 27 -8.402 4.107 -14.794 224 1HA GLY 27 1HA GLY 27 -10.370 5.350 -15.336 225 2HA GLY 27 2HA GLY 27 -11.343 4.071 -14.620 226 H SER 28 H SER 28 -8.466 5.521 -13.228 227 HA SER 28 HA SER 28 -10.009 7.074 -11.325 228 1HB SER 28 1HB SER 28 -9.924 4.775 -10.352 229 2HB SER 28 2HB SER 28 -8.163 4.851 -10.391 230 HG SER 28 HG SER 28 -9.368 5.467 -8.365 231 H SER 29 H SER 29 -8.117 7.738 -9.544 232 HA SER 29 HA SER 29 -5.713 8.521 -11.041 233 1HB SER 29 1HB SER 29 -5.855 10.754 -9.809 234 2HB SER 29 2HB SER 29 -7.042 10.510 -11.090 235 HG SER 29 HG SER 29 -7.660 9.813 -8.431 236 H LEU 30 H LEU 30 -3.868 8.167 -9.934 237 HA LEU 30 HA LEU 30 -4.007 6.762 -7.450 238 1HB LEU 30 1HB LEU 30 -2.323 6.256 -9.184 239 2HB LEU 30 2HB LEU 30 -1.595 7.831 -8.931 240 HG LEU 30 HG LEU 30 -1.024 7.176 -6.608 241 1HD1 LEU 30 1HD1 LEU 30 -2.800 5.552 -6.222 242 2HD1 LEU 30 2HD1 LEU 30 -1.216 4.837 -5.922 243 3HD1 LEU 30 3HD1 LEU 30 -2.082 4.464 -7.413 244 1HD2 LEU 30 1HD2 LEU 30 0.769 5.619 -7.188 245 2HD2 LEU 30 2HD2 LEU 30 0.610 6.897 -8.394 246 3HD2 LEU 30 3HD2 LEU 30 -0.017 5.283 -8.731 247 H LYS 31 H LYS 31 -5.013 8.278 -6.077 248 HA LYS 31 HA LYS 31 -3.572 10.731 -5.459 249 1HB LYS 31 1HB LYS 31 -6.052 10.750 -5.719 250 2HB LYS 31 2HB LYS 31 -6.180 9.696 -4.321 251 1HG LYS 31 1HG LYS 31 -6.643 11.807 -3.465 252 2HG LYS 31 2HG LYS 31 -4.954 11.555 -3.034 253 1HD LYS 31 1HD LYS 31 -5.814 13.071 -5.505 254 2HD LYS 31 2HD LYS 31 -5.564 13.851 -3.947 255 1HE LYS 31 1HE LYS 31 -3.229 13.088 -3.948 256 2HE LYS 31 2HE LYS 31 -3.486 12.308 -5.506 257 1HZ LYS 31 1HZ LYS 31 -3.987 14.491 -6.451 258 2HZ LYS 31 2HZ LYS 31 -2.430 14.428 -5.800 259 3HZ LYS 31 3HZ LYS 31 -3.662 15.220 -4.958 260 H ILE 32 H ILE 32 -1.732 9.914 -4.472 261 HA ILE 32 HA ILE 32 -2.140 8.684 -1.827 262 HB ILE 32 HB ILE 32 0.338 8.190 -1.912 263 1HG1 ILE 32 1HG1 ILE 32 -0.012 8.957 -4.830 264 2HG1 ILE 32 2HG1 ILE 32 0.991 9.795 -3.651 265 1HG2 ILE 32 1HG2 ILE 32 -1.341 6.471 -2.326 266 2HG2 ILE 32 2HG2 ILE 32 0.074 6.217 -3.347 267 3HG2 ILE 32 3HG2 ILE 32 -1.395 6.911 -4.034 268 1HD1 ILE 32 1HD1 ILE 32 1.409 6.992 -4.664 269 2HD1 ILE 32 2HD1 ILE 32 2.404 7.803 -3.453 270 3HD1 ILE 32 3HD1 ILE 32 2.344 8.421 -5.104 271 HA PRO 33 HA PRO 33 -1.253 12.874 -0.560 272 1HB PRO 33 1HB PRO 33 -2.156 12.689 1.948 273 2HB PRO 33 2HB PRO 33 -3.269 12.601 0.575 274 1HG PRO 33 1HG PRO 33 -2.127 10.378 2.233 275 2HG PRO 33 2HG PRO 33 -3.792 10.605 1.664 276 1HD PRO 33 1HD PRO 33 -1.941 8.971 0.430 277 2HD PRO 33 2HD PRO 33 -3.337 9.699 -0.393 278 H ASN 34 H ASN 34 -0.305 13.816 1.601 279 HA ASN 34 HA ASN 34 2.101 12.285 2.305 280 1HB ASN 34 1HB ASN 34 3.185 14.467 2.758 281 2HB ASN 34 2HB ASN 34 2.704 14.287 1.081 282 1HD2 ASN 34 2HD2 ASN 34 3.247 16.723 2.486 283 2HD2 ASN 34 1HD2 ASN 34 1.800 17.669 2.447 284 H VAL 35 H VAL 35 2.690 12.136 4.364 285 HA VAL 35 HA VAL 35 1.027 13.342 6.419 286 HB VAL 35 HB VAL 35 0.009 11.120 5.837 287 1HG1 VAL 35 1HG1 VAL 35 1.140 9.064 6.518 288 2HG1 VAL 35 2HG1 VAL 35 2.583 9.990 6.936 289 3HG1 VAL 35 3HG1 VAL 35 2.041 9.911 5.259 290 1HG2 VAL 35 1HG2 VAL 35 1.129 11.397 8.625 291 2HG2 VAL 35 2HG2 VAL 35 -0.194 10.327 8.166 292 3HG2 VAL 35 3HG2 VAL 35 -0.382 12.074 8.022 293 H GLU 36 H GLU 36 2.121 13.717 8.326 294 HA GLU 36 HA GLU 36 3.849 13.991 9.746 295 1HB GLU 36 1HB GLU 36 4.736 11.288 8.727 296 2HB GLU 36 2HB GLU 36 5.264 12.066 10.212 297 1HG GLU 36 1HG GLU 36 2.591 10.886 9.554 298 2HG GLU 36 2HG GLU 36 3.645 10.548 10.924 299 H ARG 37 H ARG 37 4.073 14.822 6.946 300 HA ARG 37 HA ARG 37 5.461 16.282 5.904 301 1HB ARG 37 1HB ARG 37 7.474 15.461 8.006 302 2HB ARG 37 2HB ARG 37 7.854 16.586 6.713 303 1HG ARG 37 1HG ARG 37 7.346 17.893 8.619 304 2HG ARG 37 2HG ARG 37 5.958 18.029 7.540 305 1HD ARG 37 1HD ARG 37 4.784 16.317 8.876 306 2HD ARG 37 2HD ARG 37 6.167 16.241 9.967 307 HE ARG 37 HE ARG 37 4.986 18.870 9.643 308 1HH1 ARG 37 1HH1 ARG 37 5.101 15.913 11.506 309 2HH1 ARG 37 2HH1 ARG 37 4.344 16.610 12.901 310 1HH2 ARG 37 1HH2 ARG 37 3.983 19.795 11.464 311 2HH2 ARG 37 2HH2 ARG 37 3.705 18.827 12.881 312 H ARG 38 H ARG 38 5.320 13.211 5.569 313 HA ARG 38 HA ARG 38 7.232 13.237 3.334 314 1HB ARG 38 1HB ARG 38 8.255 11.883 5.124 315 2HB ARG 38 2HB ARG 38 6.808 10.887 5.205 316 1HG ARG 38 1HG ARG 38 7.204 10.227 2.832 317 2HG ARG 38 2HG ARG 38 8.731 11.108 2.891 318 1HD ARG 38 1HD ARG 38 7.973 8.800 4.684 319 2HD ARG 38 2HD ARG 38 9.012 8.687 3.264 320 HE ARG 38 HE ARG 38 10.153 10.614 4.872 321 1HH1 ARG 38 1HH1 ARG 38 9.322 7.233 5.189 322 2HH1 ARG 38 2HH1 ARG 38 10.632 6.874 6.265 323 1HH2 ARG 38 1HH2 ARG 38 11.873 10.162 6.297 324 2HH2 ARG 38 2HH2 ARG 38 12.079 8.546 6.907 325 H ILE 39 H ILE 39 6.481 12.209 1.466 326 HA ILE 39 HA ILE 39 3.684 11.865 1.168 327 HB ILE 39 HB ILE 39 5.187 12.418 -0.731 328 1HG1 ILE 39 1HG1 ILE 39 3.545 9.886 -1.055 329 2HG1 ILE 39 2HG1 ILE 39 2.959 11.538 -1.213 330 1HG2 ILE 39 1HG2 ILE 39 6.514 10.665 -1.806 331 2HG2 ILE 39 2HG2 ILE 39 6.070 9.533 -0.529 332 3HG2 ILE 39 3HG2 ILE 39 7.056 10.946 -0.151 333 1HD1 ILE 39 1HD1 ILE 39 3.257 10.484 -3.377 334 2HD1 ILE 39 2HD1 ILE 39 4.960 10.197 -3.019 335 3HD1 ILE 39 3HD1 ILE 39 4.357 11.847 -3.182 336 H LEU 40 H LEU 40 2.474 9.954 0.838 337 HA LEU 40 HA LEU 40 3.231 7.688 2.389 338 1HB LEU 40 1HB LEU 40 0.874 8.452 2.016 339 2HB LEU 40 2HB LEU 40 1.007 7.934 0.345 340 HG LEU 40 HG LEU 40 1.345 5.604 1.107 341 1HD1 LEU 40 1HD1 LEU 40 0.928 5.013 3.445 342 2HD1 LEU 40 2HD1 LEU 40 0.815 6.724 3.861 343 3HD1 LEU 40 3HD1 LEU 40 2.342 6.054 3.286 344 1HD2 LEU 40 1HD2 LEU 40 -0.962 5.209 1.858 345 2HD2 LEU 40 2HD2 LEU 40 -0.896 6.359 0.524 346 3HD2 LEU 40 3HD2 LEU 40 -1.152 6.935 2.173 347 H ASP 41 H ASP 41 5.133 6.828 1.582 348 HA ASP 41 HA ASP 41 5.544 6.331 -1.206 349 1HB ASP 41 1HB ASP 41 7.430 6.770 0.353 350 2HB ASP 41 2HB ASP 41 7.102 5.239 1.159 351 H LEU 42 H LEU 42 3.967 5.066 -1.968 352 HA LEU 42 HA LEU 42 2.741 2.899 -0.746 353 1HB LEU 42 1HB LEU 42 2.290 4.306 -2.977 354 2HB LEU 42 2HB LEU 42 3.039 2.909 -3.721 355 HG LEU 42 HG LEU 42 0.629 2.723 -1.898 356 1HD1 LEU 42 1HD1 LEU 42 0.046 4.068 -3.834 357 2HD1 LEU 42 2HD1 LEU 42 -0.715 2.481 -3.933 358 3HD1 LEU 42 3HD1 LEU 42 0.708 2.841 -4.911 359 1HD2 LEU 42 1HD2 LEU 42 1.899 0.647 -2.099 360 2HD2 LEU 42 2HD2 LEU 42 1.815 0.753 -3.857 361 3HD2 LEU 42 3HD2 LEU 42 0.343 0.515 -2.918 362 H TYR 43 H TYR 43 5.761 3.075 -2.444 363 HA TYR 43 HA TYR 43 6.116 0.390 -3.177 364 1HB TYR 43 1HB TYR 43 7.513 2.577 -3.684 365 2HB TYR 43 2HB TYR 43 8.440 2.069 -2.280 366 HD1 TYR 43 HD1 TYR 43 8.186 -0.986 -2.853 367 HD2 TYR 43 HD2 TYR 43 9.234 2.349 -5.275 368 HE1 TYR 43 HE1 TYR 43 9.524 -2.457 -4.301 369 HE2 TYR 43 HE2 TYR 43 10.559 0.901 -6.724 370 HH TYR 43 HH TYR 43 10.325 -2.408 -6.751 371 H SER 44 H SER 44 7.266 2.140 -0.298 372 HA SER 44 HA SER 44 8.347 -0.066 1.047 373 1HB SER 44 1HB SER 44 7.162 2.472 2.211 374 2HB SER 44 2HB SER 44 8.208 1.341 3.073 375 HG SER 44 HG SER 44 8.826 3.166 1.044 376 H LEU 45 H LEU 45 5.104 1.311 1.034 377 HA LEU 45 HA LEU 45 3.942 -0.298 3.003 378 1HB LEU 45 1HB LEU 45 2.878 1.702 2.022 379 2HB LEU 45 2HB LEU 45 2.688 0.862 0.499 380 HG LEU 45 HG LEU 45 0.627 1.104 2.010 381 1HD1 LEU 45 1HD1 LEU 45 -0.273 -1.059 1.373 382 2HD1 LEU 45 2HD1 LEU 45 1.352 -1.662 1.047 383 3HD1 LEU 45 3HD1 LEU 45 0.677 -0.367 0.058 384 1HD2 LEU 45 1HD2 LEU 45 0.341 -0.585 3.743 385 2HD2 LEU 45 2HD2 LEU 45 1.701 0.474 4.113 386 3HD2 LEU 45 3HD2 LEU 45 1.993 -1.149 3.487 387 H SER 46 H SER 46 4.371 -0.801 -0.473 388 HA SER 46 HA SER 46 2.959 -3.198 -0.733 389 1HB SER 46 1HB SER 46 5.431 -2.360 -2.284 390 2HB SER 46 2HB SER 46 4.216 -3.530 -2.800 391 HG SER 46 HG SER 46 3.258 -1.018 -2.123 392 H LYS 47 H LYS 47 6.455 -2.673 -0.195 393 HA LYS 47 HA LYS 47 7.081 -5.431 -0.109 394 1HB LYS 47 1HB LYS 47 9.267 -4.761 0.743 395 2HB LYS 47 2HB LYS 47 8.781 -3.729 -0.594 396 1HG LYS 47 1HG LYS 47 8.106 -1.994 1.021 397 2HG LYS 47 2HG LYS 47 8.666 -3.025 2.337 398 1HD LYS 47 1HD LYS 47 10.347 -1.352 1.792 399 2HD LYS 47 2HD LYS 47 10.943 -2.967 1.405 400 1HE LYS 47 1HE LYS 47 10.462 -2.615 -0.948 401 2HE LYS 47 2HE LYS 47 9.742 -1.045 -0.595 402 1HZ LYS 47 1HZ LYS 47 12.584 -1.760 -0.115 403 2HZ LYS 47 2HZ LYS 47 11.878 -0.245 0.134 404 3HZ LYS 47 3HZ LYS 47 12.014 -0.866 -1.430 405 H ILE 48 H ILE 48 6.225 -3.094 2.408 406 HA ILE 48 HA ILE 48 6.824 -4.755 4.620 407 HB ILE 48 HB ILE 48 4.879 -2.458 4.345 408 1HG1 ILE 48 1HG1 ILE 48 7.582 -2.646 5.714 409 2HG1 ILE 48 2HG1 ILE 48 7.299 -1.919 4.136 410 1HG2 ILE 48 1HG2 ILE 48 4.082 -3.897 6.133 411 2HG2 ILE 48 2HG2 ILE 48 4.774 -2.424 6.813 412 3HG2 ILE 48 3HG2 ILE 48 5.690 -3.930 6.858 413 1HD1 ILE 48 1HD1 ILE 48 5.854 -0.238 5.194 414 2HD1 ILE 48 2HD1 ILE 48 7.497 -0.217 5.833 415 3HD1 ILE 48 3HD1 ILE 48 6.198 -0.955 6.769 416 H VAL 49 H VAL 49 3.787 -4.233 2.817 417 HA VAL 49 HA VAL 49 2.172 -5.963 4.317 418 HB VAL 49 HB VAL 49 2.007 -5.267 1.367 419 1HG1 VAL 49 1HG1 VAL 49 -0.322 -6.071 1.461 420 2HG1 VAL 49 2HG1 VAL 49 -0.051 -6.650 3.105 421 3HG1 VAL 49 3HG1 VAL 49 0.833 -7.372 1.760 422 1HG2 VAL 49 1HG2 VAL 49 1.749 -3.366 2.909 423 2HG2 VAL 49 2HG2 VAL 49 0.453 -4.221 3.744 424 3HG2 VAL 49 3HG2 VAL 49 0.244 -3.726 2.063 425 H VAL 50 H VAL 50 4.294 -6.583 1.538 426 HA VAL 50 HA VAL 50 3.724 -9.332 1.248 427 HB VAL 50 HB VAL 50 6.273 -7.831 0.580 428 1HG1 VAL 50 1HG1 VAL 50 6.719 -10.227 0.749 429 2HG1 VAL 50 2HG1 VAL 50 6.774 -9.705 -0.935 430 3HG1 VAL 50 3HG1 VAL 50 5.362 -10.571 -0.328 431 1HG2 VAL 50 1HG2 VAL 50 3.920 -8.602 -1.156 432 2HG2 VAL 50 2HG2 VAL 50 5.387 -7.794 -1.708 433 3HG2 VAL 50 3HG2 VAL 50 4.298 -6.976 -0.589 434 H GLU 51 H GLU 51 6.088 -7.614 3.264 435 HA GLU 51 HA GLU 51 7.360 -9.972 4.240 436 1HB GLU 51 1HB GLU 51 7.291 -7.163 5.370 437 2HB GLU 51 2HB GLU 51 8.301 -8.459 5.997 438 1HG GLU 51 1HG GLU 51 9.388 -8.610 3.760 439 2HG GLU 51 2HG GLU 51 8.460 -7.198 3.261 440 H GLU 52 H GLU 52 4.507 -8.202 5.146 441 HA GLU 52 HA GLU 52 4.272 -9.456 7.735 442 1HB GLU 52 1HB GLU 52 3.392 -7.143 7.111 443 2HB GLU 52 2HB GLU 52 2.100 -7.970 6.249 444 1HG GLU 52 1HG GLU 52 1.310 -7.323 8.416 445 2HG GLU 52 2HG GLU 52 1.450 -9.079 8.362 446 H GLY 53 H GLY 53 2.898 -9.926 4.501 447 1HA GLY 53 1HA GLY 53 2.787 -12.246 3.805 448 2HA GLY 53 2HA GLY 53 2.198 -12.651 5.401 449 H GLY 54 H GLY 54 0.383 -10.032 4.891 450 1HA GLY 54 1HA GLY 54 -1.301 -10.510 2.750 451 2HA GLY 54 2HA GLY 54 -1.891 -11.549 4.037 452 H TYR 55 H TYR 55 -2.862 -9.017 2.593 453 HA TYR 55 HA TYR 55 -2.975 -6.820 4.258 454 1HB TYR 55 1HB TYR 55 -3.795 -6.672 2.011 455 2HB TYR 55 2HB TYR 55 -5.011 -7.909 2.304 456 HD1 TYR 55 HD2 TYR 55 -4.032 -4.631 3.842 457 HD2 TYR 55 HD1 TYR 55 -7.175 -7.113 2.410 458 HE1 TYR 55 HE2 TYR 55 -5.667 -2.883 4.411 459 HE2 TYR 55 HE1 TYR 55 -8.815 -5.370 2.970 460 HH TYR 55 HH TYR 55 -9.014 -3.461 4.485 461 H GLU 56 H GLU 56 -5.363 -9.477 4.124 462 HA GLU 56 HA GLU 56 -7.164 -8.574 6.005 463 1HB GLU 56 1HB GLU 56 -7.563 -10.575 4.651 464 2HB GLU 56 2HB GLU 56 -6.296 -11.435 5.515 465 1HG GLU 56 1HG GLU 56 -7.647 -11.098 7.619 466 2HG GLU 56 2HG GLU 56 -8.952 -10.507 6.593 467 H ALA 57 H ALA 57 -4.233 -10.483 6.536 468 HA ALA 57 HA ALA 57 -4.610 -10.950 9.280 469 1HB ALA 57 1HB ALA 57 -3.064 -12.257 7.911 470 2HB ALA 57 2HB ALA 57 -2.234 -11.561 9.303 471 3HB ALA 57 3HB ALA 57 -2.033 -10.842 7.706 472 H ILE 58 H ILE 58 -2.913 -8.361 7.550 473 HA ILE 58 HA ILE 58 -1.828 -7.125 9.862 474 HB ILE 58 HB ILE 58 -2.582 -5.567 7.394 475 1HG1 ILE 58 1HG1 ILE 58 -0.156 -7.362 7.688 476 2HG1 ILE 58 2HG1 ILE 58 -1.519 -7.661 6.621 477 1HG2 ILE 58 1HG2 ILE 58 -1.655 -4.320 9.269 478 2HG2 ILE 58 2HG2 ILE 58 -0.521 -4.334 7.918 479 3HG2 ILE 58 3HG2 ILE 58 -0.250 -5.389 9.307 480 1HD1 ILE 58 1HD1 ILE 58 0.386 -6.779 5.405 481 2HD1 ILE 58 2HD1 ILE 58 0.388 -5.341 6.426 482 3HD1 ILE 58 3HD1 ILE 58 -0.974 -5.658 5.349 483 H CYS 59 H CYS 59 -4.881 -6.866 8.158 484 HA CYS 59 HA CYS 59 -5.808 -4.537 9.499 485 1HB CYS 59 1HB CYS 59 -6.685 -5.313 7.305 486 2HB CYS 59 2HB CYS 59 -7.420 -6.695 8.111 487 HG CYS 59 HG CYS 59 -9.579 -5.186 7.777 488 H LYS 60 H LYS 60 -6.527 -8.010 9.950 489 HA LYS 60 HA LYS 60 -8.290 -7.526 12.138 490 1HB LYS 60 1HB LYS 60 -7.240 -9.885 10.718 491 2HB LYS 60 2HB LYS 60 -7.569 -10.163 12.423 492 1HG LYS 60 1HG LYS 60 -9.470 -10.725 10.946 493 2HG LYS 60 2HG LYS 60 -9.860 -9.506 12.160 494 1HD LYS 60 1HD LYS 60 -9.513 -7.745 10.426 495 2HD LYS 60 2HD LYS 60 -9.273 -9.025 9.232 496 1HE LYS 60 1HE LYS 60 -11.530 -9.861 9.668 497 2HE LYS 60 2HE LYS 60 -11.769 -8.608 10.885 498 1HZ LYS 60 1HZ LYS 60 -11.613 -6.933 9.195 499 2HZ LYS 60 2HZ LYS 60 -12.766 -8.071 8.717 500 3HZ LYS 60 3HZ LYS 60 -11.233 -8.079 8.009 501 H ASP 61 H ASP 61 -4.862 -8.297 11.889 502 HA ASP 61 HA ASP 61 -4.609 -8.479 14.777 503 1HB ASP 61 1HB ASP 61 -2.637 -8.734 12.509 504 2HB ASP 61 2HB ASP 61 -2.115 -8.678 14.188 505 H ARG 62 H ARG 62 -4.897 -5.971 12.651 506 HA ARG 62 HA ARG 62 -4.659 -3.719 12.863 507 1HB ARG 62 1HB ARG 62 -3.955 -4.380 15.738 508 2HB ARG 62 2HB ARG 62 -4.343 -2.778 15.131 509 1HG ARG 62 1HG ARG 62 -6.610 -3.488 14.618 510 2HG ARG 62 2HG ARG 62 -6.231 -5.132 15.145 511 1HD ARG 62 1HD ARG 62 -5.757 -4.294 17.402 512 2HD ARG 62 2HD ARG 62 -6.138 -2.655 16.876 513 HE ARG 62 HE ARG 62 -8.387 -4.079 16.288 514 1HH1 ARG 62 1HH1 ARG 62 -6.488 -3.631 19.193 515 2HH1 ARG 62 2HH1 ARG 62 -7.842 -3.789 20.264 516 1HH2 ARG 62 1HH2 ARG 62 -10.186 -4.250 17.684 517 2HH2 ARG 62 2HH2 ARG 62 -9.953 -4.126 19.403 518 H ARG 63 H ARG 63 -2.342 -5.404 12.112 519 HA ARG 63 HA ARG 63 -0.065 -4.389 13.542 520 1HB ARG 63 1HB ARG 63 -0.234 -6.152 11.091 521 2HB ARG 63 2HB ARG 63 1.264 -5.745 11.924 522 1HG ARG 63 1HG ARG 63 0.288 -6.748 14.003 523 2HG ARG 63 2HG ARG 63 -1.068 -7.304 13.026 524 1HD ARG 63 1HD ARG 63 1.831 -8.061 12.660 525 2HD ARG 63 2HD ARG 63 0.566 -9.081 13.345 526 HE ARG 63 HE ARG 63 0.525 -8.137 10.549 527 1HH1 ARG 63 1HH1 ARG 63 0.100 -10.670 12.924 528 2HH1 ARG 63 2HH1 ARG 63 -0.298 -11.878 11.742 529 1HH2 ARG 63 1HH2 ARG 63 0.038 -9.766 8.995 530 2HH2 ARG 63 2HH2 ARG 63 -0.324 -11.374 9.536 531 H TRP 64 H TRP 64 -1.934 -2.869 11.373 532 HA TRP 64 HA TRP 64 -0.062 -1.558 9.711 533 1HB TRP 64 1HB TRP 64 -2.664 -0.506 10.872 534 2HB TRP 64 2HB TRP 64 -1.741 0.283 9.599 535 HD1 TRP 64 HD1 TRP 64 -4.640 -1.832 9.967 536 HE1 TRP 64 HE1 TRP 64 -5.189 -3.087 7.792 537 HE3 TRP 64 HE3 TRP 64 -0.213 -1.155 7.464 538 HZ2 TRP 64 HZ2 TRP 64 -3.935 -3.701 5.357 539 HZ3 TRP 64 HZ3 TRP 64 0.015 -2.105 5.212 540 HH2 TRP 64 HH2 TRP 64 -1.807 -3.358 4.179 541 H ALA 65 H ALA 65 -0.916 -1.207 13.082 542 HA ALA 65 HA ALA 65 0.428 1.201 13.645 543 1HB ALA 65 1HB ALA 65 0.587 0.355 15.951 544 2HB ALA 65 2HB ALA 65 0.111 -1.249 15.395 545 3HB ALA 65 3HB ALA 65 -1.023 0.097 15.280 546 H ARG 66 H ARG 66 1.505 -2.146 13.443 547 HA ARG 66 HA ARG 66 4.198 -1.765 14.178 548 1HB ARG 66 1HB ARG 66 3.123 -3.980 14.130 549 2HB ARG 66 2HB ARG 66 2.955 -3.874 12.383 550 1HG ARG 66 1HG ARG 66 5.441 -3.797 12.210 551 2HG ARG 66 2HG ARG 66 5.526 -4.075 13.951 552 1HD ARG 66 1HD ARG 66 4.259 -6.190 13.627 553 2HD ARG 66 2HD ARG 66 4.306 -5.916 11.885 554 HE ARG 66 HE ARG 66 6.793 -6.146 13.448 555 1HH1 ARG 66 1HH1 ARG 66 4.731 -7.261 10.835 556 2HH1 ARG 66 2HH1 ARG 66 5.924 -8.356 10.207 557 1HH2 ARG 66 1HH2 ARG 66 8.351 -7.594 12.606 558 2HH2 ARG 66 2HH2 ARG 66 7.969 -8.533 11.196 559 H VAL 67 H VAL 67 2.590 -1.860 10.990 560 HA VAL 67 HA VAL 67 4.926 -1.558 9.458 561 HB VAL 67 HB VAL 67 3.593 -1.170 7.573 562 1HG1 VAL 67 1HG1 VAL 67 1.751 -2.759 7.703 563 2HG1 VAL 67 2HG1 VAL 67 1.842 -2.723 9.464 564 3HG1 VAL 67 3HG1 VAL 67 3.191 -3.363 8.524 565 1HG2 VAL 67 1HG2 VAL 67 1.373 -0.255 7.529 566 2HG2 VAL 67 2HG2 VAL 67 2.427 0.836 8.424 567 3HG2 VAL 67 3HG2 VAL 67 1.311 -0.219 9.288 568 H ALA 68 H ALA 68 2.763 0.820 10.919 569 HA ALA 68 HA ALA 68 3.922 3.126 9.778 570 1HB ALA 68 1HB ALA 68 2.803 4.357 11.575 571 2HB ALA 68 2HB ALA 68 2.488 2.843 12.425 572 3HB ALA 68 3HB ALA 68 1.726 3.154 10.865 573 H GLN 69 H GLN 69 4.518 1.441 12.846 574 HA GLN 69 HA GLN 69 6.620 3.168 13.698 575 1HB GLN 69 1HB GLN 69 5.953 0.328 14.524 576 2HB GLN 69 2HB GLN 69 7.093 1.378 15.357 577 1HG GLN 69 1HG GLN 69 5.305 2.933 15.902 578 2HG GLN 69 2HG GLN 69 4.149 1.944 15.013 579 1HE2 GLN 69 2HE2 GLN 69 6.091 2.201 17.884 580 2HE2 GLN 69 1HE2 GLN 69 5.307 0.945 18.773 581 H ARG 70 H ARG 70 6.436 0.605 11.450 582 HA ARG 70 HA ARG 70 9.276 -0.029 11.484 583 1HB ARG 70 1HB ARG 70 7.406 -1.702 11.039 584 2HB ARG 70 2HB ARG 70 7.132 -0.892 9.510 585 1HG ARG 70 1HG ARG 70 9.789 -2.114 10.225 586 2HG ARG 70 2HG ARG 70 8.487 -3.048 9.493 587 1HD ARG 70 1HD ARG 70 8.515 -1.095 7.725 588 2HD ARG 70 2HD ARG 70 10.160 -0.868 8.318 589 HE ARG 70 HE ARG 70 9.109 -3.243 6.940 590 1HH1 ARG 70 1HH1 ARG 70 11.852 -1.494 8.249 591 2HH1 ARG 70 2HH1 ARG 70 13.020 -2.525 7.481 592 1HH2 ARG 70 1HH2 ARG 70 10.646 -4.565 5.904 593 2HH2 ARG 70 2HH2 ARG 70 12.338 -4.243 6.133 594 H LEU 71 H LEU 71 7.006 2.016 9.900 595 HA LEU 71 HA LEU 71 8.803 2.656 7.695 596 1HB LEU 71 1HB LEU 71 6.261 2.237 7.520 597 2HB LEU 71 2HB LEU 71 6.085 3.852 8.177 598 HG LEU 71 HG LEU 71 7.184 4.826 6.259 599 1HD1 LEU 71 1HD1 LEU 71 8.000 3.442 4.404 600 2HD1 LEU 71 2HD1 LEU 71 7.630 1.986 5.331 601 3HD1 LEU 71 3HD1 LEU 71 8.871 3.102 5.900 602 1HD2 LEU 71 1HD2 LEU 71 5.629 4.177 4.476 603 2HD2 LEU 71 2HD2 LEU 71 4.797 4.341 6.022 604 3HD2 LEU 71 3HD2 LEU 71 5.176 2.738 5.392 605 H ASN 72 H ASN 72 8.785 3.538 10.745 606 HA ASN 72 HA ASN 72 10.048 5.109 11.782 607 1HB ASN 72 1HB ASN 72 11.673 5.954 10.496 608 2HB ASN 72 2HB ASN 72 10.777 5.472 9.067 609 1HD2 ASN 72 2HD2 ASN 72 9.397 7.029 8.072 610 2HD2 ASN 72 1HD2 ASN 72 9.702 8.719 8.261 611 H TYR 73 H TYR 73 7.032 5.361 10.990 612 HA TYR 73 HA TYR 73 6.515 8.169 11.177 613 1HB TYR 73 1HB TYR 73 4.722 5.757 11.505 614 2HB TYR 73 2HB TYR 73 4.132 7.406 11.669 615 HD1 TYR 73 HD1 TYR 73 5.596 8.765 9.469 616 HD2 TYR 73 HD2 TYR 73 3.673 4.967 9.567 617 HE1 TYR 73 HE1 TYR 73 5.222 8.896 7.042 618 HE2 TYR 73 HE2 TYR 73 3.299 5.087 7.144 619 HH TYR 73 HH TYR 73 4.844 7.271 5.136 620 HA PRO 74 HA PRO 74 6.912 8.750 15.529 621 1HB PRO 74 1HB PRO 74 5.315 10.899 15.916 622 2HB PRO 74 2HB PRO 74 6.834 11.006 15.018 623 1HG PRO 74 1HG PRO 74 4.033 10.752 13.972 624 2HG PRO 74 2HG PRO 74 5.329 11.839 13.436 625 1HD PRO 74 1HD PRO 74 4.731 9.535 12.138 626 2HD PRO 74 2HD PRO 74 6.382 10.185 12.213 627 HA PRO 75 HA PRO 75 3.771 6.844 18.021 628 1HB PRO 75 1HB PRO 75 3.758 9.302 19.724 629 2HB PRO 75 2HB PRO 75 3.961 7.611 20.194 630 1HG PRO 75 1HG PRO 75 6.060 9.237 20.117 631 2HG PRO 75 2HG PRO 75 6.199 7.563 19.542 632 1HD PRO 75 1HD PRO 75 5.972 10.099 17.965 633 2HD PRO 75 2HD PRO 75 6.943 8.648 17.635 634 H GLY 76 H GLY 76 1.552 6.936 18.590 635 1HA GLY 76 1HA GLY 76 -0.548 8.211 18.651 636 2HA GLY 76 2HA GLY 76 0.027 9.084 17.232 637 H LYS 77 H LYS 77 1.058 7.033 15.734 638 HA LYS 77 HA LYS 77 0.645 5.284 14.359 639 1HB LYS 77 1HB LYS 77 -1.204 4.361 16.572 640 2HB LYS 77 2HB LYS 77 -0.586 3.360 15.264 641 1HG LYS 77 1HG LYS 77 1.666 3.557 16.101 642 2HG LYS 77 2HG LYS 77 1.151 4.719 17.327 643 1HD LYS 77 1HD LYS 77 -0.293 2.956 18.325 644 2HD LYS 77 2HD LYS 77 0.345 1.807 17.148 645 1HE LYS 77 1HE LYS 77 2.577 2.065 18.050 646 2HE LYS 77 2HE LYS 77 2.023 3.328 19.149 647 1HZ LYS 77 1HZ LYS 77 2.231 1.241 20.305 648 2HZ LYS 77 2HZ LYS 77 1.207 0.470 19.207 649 3HZ LYS 77 3HZ LYS 77 0.596 1.673 20.228 650 H ASN 78 H ASN 78 -1.456 7.654 14.723 651 HA ASN 78 HA ASN 78 -3.944 6.605 13.863 652 1HB ASN 78 1HB ASN 78 -4.589 8.926 13.423 653 2HB ASN 78 2HB ASN 78 -3.765 8.795 14.972 654 1HD2 ASN 78 2HD2 ASN 78 -1.790 9.775 15.253 655 2HD2 ASN 78 1HD2 ASN 78 -1.103 10.864 14.100 656 H ILE 79 H ILE 79 -1.043 7.377 12.209 657 HA ILE 79 HA ILE 79 -1.959 7.949 9.637 658 HB ILE 79 HB ILE 79 0.559 6.430 10.395 659 1HG1 ILE 79 1HG1 ILE 79 1.626 8.716 9.888 660 2HG1 ILE 79 2HG1 ILE 79 0.001 9.380 10.000 661 1HG2 ILE 79 1HG2 ILE 79 1.412 7.107 8.189 662 2HG2 ILE 79 2HG2 ILE 79 -0.162 7.803 7.798 663 3HG2 ILE 79 3HG2 ILE 79 -0.003 6.064 8.057 664 1HD1 ILE 79 1HD1 ILE 79 1.475 7.936 12.192 665 2HD1 ILE 79 2HD1 ILE 79 -0.150 8.613 12.310 666 3HD1 ILE 79 3HD1 ILE 79 1.234 9.677 12.065 667 H GLY 80 H GLY 80 -1.797 4.952 11.401 668 1HA GLY 80 1HA GLY 80 -1.927 3.069 9.355 669 2HA GLY 80 2HA GLY 80 -2.634 2.867 10.949 670 H SER 81 H SER 81 -4.495 5.069 10.722 671 HA SER 81 HA SER 81 -6.629 3.696 9.415 672 1HB SER 81 1HB SER 81 -6.986 5.080 11.443 673 2HB SER 81 2HB SER 81 -6.563 6.523 10.523 674 HG SER 81 HG SER 81 -8.815 4.828 10.216 675 H LEU 82 H LEU 82 -4.824 6.678 8.732 676 HA LEU 82 HA LEU 82 -6.113 7.428 6.361 677 1HB LEU 82 1HB LEU 82 -4.456 8.773 7.715 678 2HB LEU 82 2HB LEU 82 -3.179 7.778 7.054 679 HG LEU 82 HG LEU 82 -3.502 10.085 6.029 680 1HD1 LEU 82 1HD1 LEU 82 -3.578 7.716 4.164 681 2HD1 LEU 82 2HD1 LEU 82 -2.144 8.381 4.945 682 3HD1 LEU 82 3HD1 LEU 82 -3.025 9.342 3.756 683 1HD2 LEU 82 1HD2 LEU 82 -5.894 8.748 4.759 684 2HD2 LEU 82 2HD2 LEU 82 -5.229 10.319 4.314 685 3HD2 LEU 82 3HD2 LEU 82 -5.936 10.082 5.912 686 H LEU 83 H LEU 83 -3.310 5.384 6.936 687 HA LEU 83 HA LEU 83 -2.644 4.759 4.303 688 1HB LEU 83 1HB LEU 83 -1.135 4.345 6.150 689 2HB LEU 83 2HB LEU 83 -2.258 3.205 6.865 690 HG LEU 83 HG LEU 83 -1.908 1.665 4.971 691 1HD1 LEU 83 1HD1 LEU 83 -0.114 2.091 3.359 692 2HD1 LEU 83 2HD1 LEU 83 0.117 3.701 4.039 693 3HD1 LEU 83 3HD1 LEU 83 -1.398 3.291 3.235 694 1HD2 LEU 83 1HD2 LEU 83 0.657 2.564 6.295 695 2HD2 LEU 83 2HD2 LEU 83 0.372 0.994 5.543 696 3HD2 LEU 83 3HD2 LEU 83 -0.530 1.456 6.985 697 H ARG 84 H ARG 84 -4.618 2.880 6.638 698 HA ARG 84 HA ARG 84 -5.167 0.808 4.789 699 1HB ARG 84 1HB ARG 84 -5.368 0.474 7.229 700 2HB ARG 84 2HB ARG 84 -6.765 1.550 7.255 701 1HG ARG 84 1HG ARG 84 -7.801 -0.045 5.537 702 2HG ARG 84 2HG ARG 84 -6.516 -1.164 5.983 703 1HD ARG 84 1HD ARG 84 -7.304 -1.286 8.235 704 2HD ARG 84 2HD ARG 84 -8.439 0.043 7.973 705 HE ARG 84 HE ARG 84 -8.820 -2.720 7.287 706 1HH1 ARG 84 1HH1 ARG 84 -9.743 0.566 6.505 707 2HH1 ARG 84 2HH1 ARG 84 -11.160 0.095 5.622 708 1HH2 ARG 84 1HH2 ARG 84 -10.716 -3.329 6.116 709 2HH2 ARG 84 2HH2 ARG 84 -11.706 -2.090 5.399 710 H SER 85 H SER 85 -6.929 3.762 5.649 711 HA SER 85 HA SER 85 -9.330 3.118 4.334 712 1HB SER 85 1HB SER 85 -9.777 5.569 4.360 713 2HB SER 85 2HB SER 85 -9.249 4.953 5.924 714 HG SER 85 HG SER 85 -7.441 6.049 5.772 715 H HIS 86 H HIS 86 -6.409 4.825 3.187 716 HA HIS 86 HA HIS 86 -7.385 5.112 0.521 717 1HB HIS 86 1HB HIS 86 -4.617 5.248 1.705 718 2HB HIS 86 2HB HIS 86 -4.863 5.319 -0.037 719 HD1 HIS 86 HD1 HIS 86 -6.204 7.415 -0.950 720 HD2 HIS 86 HD2 HIS 86 -5.153 7.577 3.067 721 HE1 HIS 86 HE1 HIS 86 -6.496 9.811 -0.273 722 HE2 HIS 86 HE2 HIS 86 -6.070 9.839 2.200 723 H TYR 87 H TYR 87 -5.500 2.605 2.160 724 HA TYR 87 HA TYR 87 -4.808 1.059 -0.050 725 1HB TYR 87 1HB TYR 87 -4.086 0.671 2.353 726 2HB TYR 87 2HB TYR 87 -5.659 -0.062 2.638 727 HD1 TYR 87 HD2 TYR 87 -6.275 -2.027 0.910 728 HD2 TYR 87 HD1 TYR 87 -2.313 -0.731 1.809 729 HE1 TYR 87 HE2 TYR 87 -5.397 -4.185 0.137 730 HE2 TYR 87 HE1 TYR 87 -1.431 -2.893 1.035 731 HH TYR 87 HH TYR 87 -2.277 -5.247 0.754 732 H GLU 88 H GLU 88 -7.724 0.980 1.937 733 HA GLU 88 HA GLU 88 -8.962 -1.252 0.894 734 1HB GLU 88 1HB GLU 88 -9.629 -0.008 2.945 735 2HB GLU 88 2HB GLU 88 -10.309 1.253 1.928 736 1HG GLU 88 1HG GLU 88 -11.901 -0.374 0.998 737 2HG GLU 88 2HG GLU 88 -11.232 -1.613 2.059 738 H ARG 89 H ARG 89 -8.912 2.036 -0.413 739 HA ARG 89 HA ARG 89 -10.755 1.150 -2.550 740 1HB ARG 89 1HB ARG 89 -10.452 3.854 -1.243 741 2HB ARG 89 2HB ARG 89 -11.343 3.613 -2.742 742 1HG ARG 89 1HG ARG 89 -12.906 2.149 -1.646 743 2HG ARG 89 2HG ARG 89 -11.961 2.187 -0.158 744 1HD ARG 89 1HD ARG 89 -13.235 4.620 -1.407 745 2HD ARG 89 2HD ARG 89 -14.001 3.646 -0.153 746 HE ARG 89 HE ARG 89 -11.731 5.448 0.162 747 1HH1 ARG 89 1HH1 ARG 89 -13.820 3.025 1.608 748 2HH1 ARG 89 2HH1 ARG 89 -13.363 3.427 3.233 749 1HH2 ARG 89 1HH2 ARG 89 -11.155 5.983 2.316 750 2HH2 ARG 89 2HH2 ARG 89 -11.886 5.123 3.636 751 H ILE 90 H ILE 90 -7.564 1.867 -2.035 752 HA ILE 90 HA ILE 90 -7.231 2.747 -4.841 753 HB ILE 90 HB ILE 90 -5.457 3.504 -2.500 754 1HG1 ILE 90 1HG1 ILE 90 -7.576 4.761 -2.538 755 2HG1 ILE 90 2HG1 ILE 90 -6.209 5.805 -2.909 756 1HG2 ILE 90 1HG2 ILE 90 -4.127 3.179 -4.502 757 2HG2 ILE 90 2HG2 ILE 90 -4.233 4.899 -4.123 758 3HG2 ILE 90 3HG2 ILE 90 -5.212 4.221 -5.424 759 1HD1 ILE 90 1HD1 ILE 90 -6.776 5.698 -5.283 760 2HD1 ILE 90 2HD1 ILE 90 -8.119 6.307 -4.315 761 3HD1 ILE 90 3HD1 ILE 90 -8.143 4.647 -4.907 762 H VAL 91 H VAL 91 -5.574 1.097 -2.143 763 HA VAL 91 HA VAL 91 -3.716 -0.119 -4.053 764 HB VAL 91 HB VAL 91 -3.630 -0.275 -1.032 765 1HG1 VAL 91 1HG1 VAL 91 -1.242 -0.773 -1.377 766 2HG1 VAL 91 2HG1 VAL 91 -1.496 -0.743 -3.122 767 3HG1 VAL 91 3HG1 VAL 91 -2.286 -1.973 -2.138 768 1HG2 VAL 91 1HG2 VAL 91 -2.301 1.738 -2.854 769 2HG2 VAL 91 2HG2 VAL 91 -1.988 1.561 -1.127 770 3HG2 VAL 91 3HG2 VAL 91 -3.583 2.063 -1.688 771 H TYR 92 H TYR 92 -6.604 -0.930 -2.535 772 HA TYR 92 HA TYR 92 -6.171 -3.597 -1.787 773 1HB TYR 92 1HB TYR 92 -8.249 -1.980 -1.447 774 2HB TYR 92 2HB TYR 92 -8.838 -2.796 -2.889 775 HD1 TYR 92 HD2 TYR 92 -7.046 -5.340 -1.585 776 HD2 TYR 92 HD1 TYR 92 -10.449 -2.999 -0.547 777 HE1 TYR 92 HE2 TYR 92 -7.877 -7.172 -0.179 778 HE2 TYR 92 HE1 TYR 92 -11.286 -4.828 0.860 779 HH TYR 92 HH TYR 92 -9.389 -7.450 1.780 780 HA PRO 93 HA PRO 93 -7.449 -4.642 -6.483 781 1HB PRO 93 1HB PRO 93 -6.093 -2.209 -7.588 782 2HB PRO 93 2HB PRO 93 -7.482 -3.104 -8.217 783 1HG PRO 93 1HG PRO 93 -7.839 -0.773 -6.994 784 2HG PRO 93 2HG PRO 93 -8.965 -2.118 -6.714 785 1HD PRO 93 1HD PRO 93 -6.776 -1.078 -4.955 786 2HD PRO 93 2HD PRO 93 -8.380 -1.701 -4.513 787 H TYR 94 H TYR 94 -4.626 -2.911 -5.281 788 HA TYR 94 HA TYR 94 -2.740 -4.325 -6.909 789 1HB TYR 94 1HB TYR 94 -2.464 -2.440 -4.581 790 2HB TYR 94 2HB TYR 94 -1.069 -3.310 -5.212 791 HD1 TYR 94 HD1 TYR 94 -0.194 -2.829 -7.429 792 HD2 TYR 94 HD2 TYR 94 -3.523 -0.665 -5.890 793 HE1 TYR 94 HE1 TYR 94 0.095 -1.144 -9.190 794 HE2 TYR 94 HE2 TYR 94 -3.234 1.035 -7.642 795 HH TYR 94 HH TYR 94 -1.366 1.869 -9.120 796 H GLU 95 H GLU 95 -4.167 -4.848 -3.750 797 HA GLU 95 HA GLU 95 -2.479 -6.915 -2.866 798 1HB GLU 95 1HB GLU 95 -4.115 -6.145 -1.313 799 2HB GLU 95 2HB GLU 95 -5.427 -6.372 -2.458 800 1HG GLU 95 1HG GLU 95 -5.504 -8.026 -0.680 801 2HG GLU 95 2HG GLU 95 -5.233 -8.787 -2.244 802 H MET 96 H MET 96 -5.488 -7.082 -4.764 803 HA MET 96 HA MET 96 -5.298 -9.831 -5.374 804 1HB MET 96 1HB MET 96 -7.401 -8.579 -5.544 805 2HB MET 96 2HB MET 96 -6.744 -7.625 -6.866 806 1HG MET 96 1HG MET 96 -6.624 -9.597 -8.272 807 2HG MET 96 2HG MET 96 -7.185 -10.608 -6.943 808 1HE MET 96 1HE MET 96 -9.450 -8.848 -5.609 809 2HE MET 96 2HE MET 96 -9.652 -10.561 -5.979 810 3HE MET 96 3HE MET 96 -10.876 -9.398 -6.489 811 H TYR 97 H TYR 97 -3.917 -6.993 -6.874 812 HA TYR 97 HA TYR 97 -3.088 -8.214 -9.306 813 1HB TYR 97 1HB TYR 97 -3.201 -5.820 -9.203 814 2HB TYR 97 2HB TYR 97 -2.136 -5.764 -7.806 815 HD1 TYR 97 HD2 TYR 97 -2.028 -7.072 -11.332 816 HD2 TYR 97 HD1 TYR 97 0.010 -5.014 -8.208 817 HE1 TYR 97 HE2 TYR 97 -0.099 -6.738 -12.816 818 HE2 TYR 97 HE1 TYR 97 1.941 -4.672 -9.688 819 HH TYR 97 HH TYR 97 2.918 -5.377 -11.635 820 H GLN 98 H GLN 98 -1.339 -7.475 -6.294 821 HA GLN 98 HA GLN 98 1.105 -8.643 -7.038 822 1HB GLN 98 1HB GLN 98 0.933 -7.045 -5.192 823 2HB GLN 98 2HB GLN 98 -0.059 -8.173 -4.279 824 1HG GLN 98 1HG GLN 98 2.229 -8.133 -3.452 825 2HG GLN 98 2HG GLN 98 1.818 -9.716 -4.108 826 1HE2 GLN 98 2HE2 GLN 98 3.965 -10.266 -4.450 827 2HE2 GLN 98 1HE2 GLN 98 4.922 -9.554 -5.702 828 H SER 99 H SER 99 -1.536 -9.907 -4.997 829 HA SER 99 HA SER 99 -0.410 -12.471 -4.665 830 1HB SER 99 1HB SER 99 -2.731 -13.146 -3.993 831 2HB SER 99 2HB SER 99 -2.140 -11.715 -3.152 832 HG SER 99 HG SER 99 -3.665 -10.579 -4.021 833 H GLY 100 H GLY 100 -2.600 -11.122 -7.098 834 1HA GLY 100 1HA GLY 100 -3.233 -13.514 -8.434 835 2HA GLY 100 2HA GLY 100 -3.220 -11.915 -9.168 836 H ALA 101 H ALA 101 -0.452 -11.374 -8.687 837 HA ALA 101 HA ALA 101 0.705 -12.733 -10.929 838 1HB ALA 101 1HB ALA 101 2.660 -11.328 -10.506 839 2HB ALA 101 2HB ALA 101 1.969 -10.819 -8.963 840 3HB ALA 101 3HB ALA 101 1.176 -10.374 -10.475 841 H ASN 102 H ASN 102 1.304 -12.734 -7.431 842 HA ASN 102 HA ASN 102 3.470 -14.652 -7.699 843 1HB ASN 102 1HB ASN 102 3.653 -12.797 -6.089 844 2HB ASN 102 2HB ASN 102 2.238 -13.391 -5.231 845 1HD2 ASN 102 2HD2 ASN 102 4.815 -15.394 -6.566 846 2HD2 ASN 102 1HD2 ASN 102 5.399 -15.962 -5.042 847 H LEU 103 H LEU 103 0.484 -14.557 -5.764 848 HA LEU 103 HA LEU 103 -0.462 -17.104 -6.412 849 1HB LEU 103 1HB LEU 103 0.004 -18.281 -4.244 850 2HB LEU 103 2HB LEU 103 1.402 -18.066 -5.274 851 HG LEU 103 HG LEU 103 1.753 -15.915 -3.718 852 1HD1 LEU 103 1HD1 LEU 103 0.322 -17.848 -1.896 853 2HD1 LEU 103 2HD1 LEU 103 -0.266 -16.262 -2.391 854 3HD1 LEU 103 3HD1 LEU 103 1.184 -16.391 -1.399 855 1HD2 LEU 103 1HD2 LEU 103 2.521 -18.729 -2.930 856 2HD2 LEU 103 2HD2 LEU 103 3.303 -17.247 -2.377 857 3HD2 LEU 103 3HD2 LEU 103 3.377 -17.700 -4.080 858 H VAL 104 H VAL 104 -2.603 -17.025 -5.925 859 HA VAL 104 HA VAL 104 -3.400 -14.819 -4.147 860 HB VAL 104 HB VAL 104 -3.940 -14.323 -6.447 861 1HG1 VAL 104 1HG1 VAL 104 -5.589 -16.852 -6.471 862 2HG1 VAL 104 2HG1 VAL 104 -4.073 -16.599 -7.334 863 3HG1 VAL 104 3HG1 VAL 104 -5.500 -15.656 -7.764 864 1HG2 VAL 104 1HG2 VAL 104 -6.421 -15.003 -4.860 865 2HG2 VAL 104 2HG2 VAL 104 -6.343 -13.884 -6.222 866 3HG2 VAL 104 3HG2 VAL 104 -5.476 -13.519 -4.730 867 H CYS 105 H CYS 105 -3.940 -15.642 -2.271 868 HA CYS 105 HA CYS 105 -6.168 -17.571 -2.208 869 1HB CYS 105 1HB CYS 105 -4.084 -18.615 -1.361 870 2HB CYS 105 2HB CYS 105 -3.920 -17.317 -0.184 871 HG CYS 105 HG CYS 105 -6.218 -17.999 1.240 872 H ASN 106 H ASN 106 -5.419 -14.484 -1.956 873 HA ASN 106 HA ASN 106 -6.747 -13.847 0.556 874 1HB ASN 106 1HB ASN 106 -5.249 -12.180 -1.471 875 2HB ASN 106 2HB ASN 106 -6.157 -11.448 -0.152 876 1HD2 ASN 106 2HD2 ASN 106 -3.297 -11.377 -0.695 877 2HD2 ASN 106 1HD2 ASN 106 -2.533 -12.028 0.712 878 H THR 107 H THR 107 -8.209 -14.957 -1.845 879 HA THR 107 HA THR 107 -9.770 -12.870 -2.973 880 HB THR 107 HB THR 107 -11.303 -14.806 -3.651 881 HG1 THR 107 HG1 THR 107 -10.359 -16.891 -3.336 882 1HG2 THR 107 1HG2 THR 107 -9.576 -13.922 -5.146 883 2HG2 THR 107 2HG2 THR 107 -9.694 -15.675 -5.300 884 3HG2 THR 107 3HG2 THR 107 -8.369 -14.957 -4.383 885 H ARG 108 H ARG 108 -10.306 -15.093 -0.244 886 HA ARG 108 HA ARG 108 -12.976 -14.223 0.236 887 1HB ARG 108 1HB ARG 108 -11.072 -16.023 1.621 888 2HB ARG 108 2HB ARG 108 -12.322 -15.302 2.625 889 1HG ARG 108 1HG ARG 108 -13.026 -17.473 1.801 890 2HG ARG 108 2HG ARG 108 -14.048 -16.195 1.142 891 1HD ARG 108 1HD ARG 108 -12.589 -16.257 -0.922 892 2HD ARG 108 2HD ARG 108 -11.851 -17.716 -0.257 893 HE ARG 108 HE ARG 108 -14.765 -17.626 -0.616 894 1HH1 ARG 108 1HH1 ARG 108 -11.659 -18.970 -1.533 895 2HH1 ARG 108 2HH1 ARG 108 -12.355 -20.232 -2.496 896 1HH2 ARG 108 1HH2 ARG 108 -15.678 -19.279 -1.873 897 2HH2 ARG 108 2HH2 ARG 108 -14.647 -20.412 -2.694 898 HA PRO 109 HA PRO 109 -10.481 -11.493 3.752 899 1HB PRO 109 1HB PRO 109 -8.701 -10.785 1.426 900 2HB PRO 109 2HB PRO 109 -8.398 -10.589 3.161 901 1HG PRO 109 1HG PRO 109 -7.403 -12.684 1.859 902 2HG PRO 109 2HG PRO 109 -8.060 -12.868 3.495 903 1HD PRO 109 1HD PRO 109 -9.171 -13.799 0.913 904 2HD PRO 109 2HD PRO 109 -9.473 -14.401 2.554 905 H PHE 110 H PHE 110 -10.979 -10.906 0.270 906 HA PHE 110 HA PHE 110 -11.792 -8.218 0.465 907 1HB PHE 110 1HB PHE 110 -12.371 -10.389 -1.548 908 2HB PHE 110 2HB PHE 110 -13.127 -8.807 -1.693 909 HD1 PHE 110 HD2 PHE 110 -9.830 -10.520 -1.549 910 HD2 PHE 110 HD1 PHE 110 -11.971 -7.002 -2.641 911 HE1 PHE 110 HE2 PHE 110 -7.828 -9.656 -2.692 912 HE2 PHE 110 HE1 PHE 110 -9.973 -6.135 -3.784 913 HZ PHE 110 HZ PHE 110 -7.899 -7.464 -3.813 914 H ASP 111 H ASP 111 -13.661 -11.219 0.544 915 HA ASP 111 HA ASP 111 -16.199 -10.012 0.960 916 1HB ASP 111 1HB ASP 111 -15.858 -12.340 0.117 917 2HB ASP 111 2HB ASP 111 -15.273 -12.807 1.709 918 H ASN 112 H ASN 112 -13.592 -11.031 3.025 919 HA ASN 112 HA ASN 112 -14.977 -10.971 5.504 920 1HB ASN 112 1HB ASN 112 -12.904 -12.225 5.265 921 2HB ASN 112 2HB ASN 112 -12.019 -10.756 4.868 922 1HD2 ASN 112 2HD2 ASN 112 -13.509 -12.612 7.400 923 2HD2 ASN 112 1HD2 ASN 112 -12.827 -11.736 8.721 924 H GLU 113 H GLU 113 -12.988 -8.598 3.773 925 HA GLU 113 HA GLU 113 -13.229 -6.580 5.783 926 1HB GLU 113 1HB GLU 113 -12.412 -6.446 2.870 927 2HB GLU 113 2HB GLU 113 -12.377 -5.060 3.954 928 1HG GLU 113 1HG GLU 113 -10.838 -7.615 4.400 929 2HG GLU 113 2HG GLU 113 -10.175 -6.163 3.651 930 H GLU 114 H GLU 114 -15.012 -7.496 2.919 931 HA GLU 114 HA GLU 114 -16.767 -5.292 2.767 932 1HB GLU 114 1HB GLU 114 -16.544 -6.946 0.969 933 2HB GLU 114 2HB GLU 114 -17.198 -8.198 2.015 934 1HG GLU 114 1HG GLU 114 -19.327 -6.899 2.121 935 2HG GLU 114 2HG GLU 114 -18.652 -5.795 0.922 936 H LYS 115 H LYS 115 -17.019 -8.414 4.426 937 HA LYS 115 HA LYS 115 -19.041 -7.279 6.241 938 1HB LYS 115 1HB LYS 115 -19.118 -10.093 5.105 939 2HB LYS 115 2HB LYS 115 -20.276 -9.390 6.226 940 1HG LYS 115 1HG LYS 115 -20.996 -7.806 4.514 941 2HG LYS 115 2HG LYS 115 -19.811 -8.471 3.388 942 1HD LYS 115 1HD LYS 115 -22.147 -9.959 4.603 943 2HD LYS 115 2HD LYS 115 -22.045 -9.361 2.947 944 1HE LYS 115 1HE LYS 115 -20.285 -11.475 4.199 945 2HE LYS 115 2HE LYS 115 -21.570 -11.746 3.023 946 1HZ LYS 115 1HZ LYS 115 -19.048 -10.252 2.558 947 2HZ LYS 115 2HZ LYS 115 -20.303 -10.380 1.436 948 3HZ LYS 115 3HZ LYS 115 -19.457 -11.762 1.923 949 H ASP 116 H ASP 116 -17.542 -7.010 7.891 950 HA ASP 116 HA ASP 116 -15.877 -9.271 8.690 951 1HB ASP 116 1HB ASP 116 -14.767 -7.739 10.181 952 2HB ASP 116 2HB ASP 116 -14.957 -6.935 8.627 953 H LYS 117 H LYS 117 -18.962 -8.604 9.101 954 HA LYS 117 HA LYS 117 -19.167 -9.151 11.951 955 1HB LYS 117 1HB LYS 117 -21.687 -9.105 11.392 956 2HB LYS 117 2HB LYS 117 -20.793 -7.596 11.313 957 1HG LYS 117 1HG LYS 117 -20.890 -7.497 9.001 958 2HG LYS 117 2HG LYS 117 -21.169 -9.231 8.832 959 1HD LYS 117 1HD LYS 117 -23.214 -7.550 10.233 960 2HD LYS 117 2HD LYS 117 -23.129 -7.510 8.472 961 1HE LYS 117 1HE LYS 117 -24.762 -9.166 9.378 962 2HE LYS 117 2HE LYS 117 -23.536 -9.868 8.327 963 1HZ LYS 117 1HZ LYS 117 -22.354 -10.667 10.251 964 2HZ LYS 117 2HZ LYS 117 -23.958 -11.201 10.318 965 3HZ LYS 117 3HZ LYS 117 -23.457 -9.917 11.295 Start of MODEL 8 1 1H SER 1 1H SER 1 2.770 13.889 -3.908 2 2H SER 1 2H SER 1 3.423 15.060 -4.937 3 3H SER 1 3H SER 1 2.621 15.527 -3.525 4 HA SER 1 HA SER 1 5.037 15.697 -3.328 5 1HB SER 1 1HB SER 1 3.733 13.604 -1.555 6 2HB SER 1 2HB SER 1 5.159 14.562 -1.146 7 HG SER 1 HG SER 1 3.910 16.400 -1.111 8 H MET 2 H MET 2 4.666 13.867 -5.571 9 HA MET 2 HA MET 2 5.718 11.312 -5.154 10 1HB MET 2 1HB MET 2 5.769 13.049 -7.631 11 2HB MET 2 2HB MET 2 6.222 11.349 -7.612 12 1HG MET 2 1HG MET 2 3.510 12.488 -6.957 13 2HG MET 2 2HG MET 2 3.962 11.612 -8.420 14 1HE MET 2 1HE MET 2 1.631 9.010 -6.699 15 2HE MET 2 2HE MET 2 2.015 9.861 -8.194 16 3HE MET 2 3HE MET 2 1.427 10.760 -6.795 17 H ASN 3 H ASN 3 7.326 14.353 -5.221 18 HA ASN 3 HA ASN 3 9.852 13.765 -6.172 19 1HB ASN 3 1HB ASN 3 9.219 16.024 -5.534 20 2HB ASN 3 2HB ASN 3 9.081 15.546 -3.845 21 1HD2 ASN 3 2HD2 ASN 3 10.590 17.012 -3.127 22 2HD2 ASN 3 1HD2 ASN 3 12.280 16.873 -3.468 23 H GLU 4 H GLU 4 8.562 13.222 -2.927 24 HA GLU 4 HA GLU 4 10.977 12.352 -1.756 25 1HB GLU 4 1HB GLU 4 8.086 11.995 -0.984 26 2HB GLU 4 2HB GLU 4 9.387 11.296 -0.032 27 1HG GLU 4 1HG GLU 4 8.672 13.395 0.926 28 2HG GLU 4 2HG GLU 4 10.327 13.520 0.336 29 H LEU 5 H LEU 5 8.781 10.761 -3.869 30 HA LEU 5 HA LEU 5 9.839 8.109 -3.246 31 1HB LEU 5 1HB LEU 5 7.414 8.584 -4.001 32 2HB LEU 5 2HB LEU 5 8.085 8.831 -5.602 33 HG LEU 5 HG LEU 5 9.109 6.462 -5.302 34 1HD1 LEU 5 1HD1 LEU 5 8.651 6.224 -2.928 35 2HD1 LEU 5 2HD1 LEU 5 7.820 4.973 -3.851 36 3HD1 LEU 5 3HD1 LEU 5 6.917 6.357 -3.230 37 1HD2 LEU 5 1HD2 LEU 5 7.139 5.401 -6.212 38 2HD2 LEU 5 2HD2 LEU 5 7.323 7.014 -6.903 39 3HD2 LEU 5 3HD2 LEU 5 6.122 6.728 -5.643 40 H GLU 6 H GLU 6 9.778 10.419 -5.918 41 HA GLU 6 HA GLU 6 11.481 9.158 -7.720 42 1HB GLU 6 1HB GLU 6 10.843 12.057 -7.198 43 2HB GLU 6 2HB GLU 6 11.899 11.566 -8.514 44 1HG GLU 6 1HG GLU 6 9.152 10.397 -8.256 45 2HG GLU 6 2HG GLU 6 9.387 11.989 -8.976 46 H ALA 7 H ALA 7 12.210 10.621 -4.724 47 HA ALA 7 HA ALA 7 14.744 11.531 -4.793 48 1HB ALA 7 1HB ALA 7 13.438 11.280 -2.743 49 2HB ALA 7 2HB ALA 7 15.063 10.623 -2.549 50 3HB ALA 7 3HB ALA 7 13.695 9.536 -2.785 51 H GLN 8 H GLN 8 13.812 8.148 -5.231 52 HA GLN 8 HA GLN 8 16.634 7.392 -5.557 53 1HB GLN 8 1HB GLN 8 14.153 5.660 -5.470 54 2HB GLN 8 2HB GLN 8 15.800 5.064 -5.604 55 1HG GLN 8 1HG GLN 8 14.909 6.752 -3.286 56 2HG GLN 8 2HG GLN 8 14.674 5.010 -3.310 57 1HE2 GLN 8 2HE2 GLN 8 17.523 6.574 -4.702 58 2HE2 GLN 8 1HE2 GLN 8 18.628 5.985 -3.519 59 H THR 9 H THR 9 17.402 6.470 -7.500 60 HA THR 9 HA THR 9 15.926 7.577 -9.792 61 HB THR 9 HB THR 9 18.903 7.069 -9.581 62 HG1 THR 9 HG1 THR 9 18.695 9.560 -9.424 63 1HG2 THR 9 1HG2 THR 9 19.036 8.648 -11.466 64 2HG2 THR 9 2HG2 THR 9 17.276 8.768 -11.492 65 3HG2 THR 9 3HG2 THR 9 18.062 7.238 -11.884 66 H ARG 10 H ARG 10 15.569 6.470 -11.591 67 HA ARG 10 HA ARG 10 15.241 4.780 -13.044 68 1HB ARG 10 1HB ARG 10 18.020 4.083 -12.099 69 2HB ARG 10 2HB ARG 10 17.217 3.234 -13.415 70 1HG ARG 10 1HG ARG 10 17.040 5.328 -14.667 71 2HG ARG 10 2HG ARG 10 17.837 6.186 -13.348 72 1HD ARG 10 1HD ARG 10 19.870 4.956 -13.693 73 2HD ARG 10 2HD ARG 10 19.084 3.890 -14.862 74 HE ARG 10 HE ARG 10 18.811 6.498 -15.804 75 1HH1 ARG 10 1HH1 ARG 10 21.429 4.281 -15.098 76 2HH1 ARG 10 2HH1 ARG 10 22.431 4.852 -16.394 77 1HH2 ARG 10 1HH2 ARG 10 20.141 7.262 -17.503 78 2HH2 ARG 10 2HH2 ARG 10 21.710 6.556 -17.743 79 H VAL 11 H VAL 11 15.130 4.162 -9.839 80 HA VAL 11 HA VAL 11 14.154 1.431 -10.339 81 HB VAL 11 HB VAL 11 15.831 1.475 -8.573 82 1HG1 VAL 11 1HG1 VAL 11 15.498 2.714 -6.486 83 2HG1 VAL 11 2HG1 VAL 11 14.047 3.458 -7.158 84 3HG1 VAL 11 3HG1 VAL 11 15.622 3.798 -7.873 85 1HG2 VAL 11 1HG2 VAL 11 14.549 0.423 -6.766 86 2HG2 VAL 11 2HG2 VAL 11 13.989 -0.116 -8.349 87 3HG2 VAL 11 3HG2 VAL 11 13.055 1.075 -7.443 88 H LYS 12 H LYS 12 13.404 4.541 -8.848 89 HA LYS 12 HA LYS 12 10.675 3.804 -8.286 90 1HB LYS 12 1HB LYS 12 12.186 6.411 -8.074 91 2HB LYS 12 2HB LYS 12 10.481 6.257 -7.673 92 1HG LYS 12 1HG LYS 12 12.751 4.779 -6.342 93 2HG LYS 12 2HG LYS 12 11.878 6.161 -5.680 94 1HD LYS 12 1HD LYS 12 9.769 4.672 -6.020 95 2HD LYS 12 2HD LYS 12 10.929 3.346 -6.100 96 1HE LYS 12 1HE LYS 12 10.635 5.295 -3.810 97 2HE LYS 12 2HE LYS 12 10.017 3.647 -3.840 98 1HZ LYS 12 1HZ LYS 12 12.875 4.429 -3.968 99 2HZ LYS 12 2HZ LYS 12 12.295 2.843 -4.013 100 3HZ LYS 12 3HZ LYS 12 12.078 3.787 -2.623 101 H LEU 13 H LEU 13 12.415 5.248 -10.901 102 HA LEU 13 HA LEU 13 10.385 6.684 -12.173 103 1HB LEU 13 1HB LEU 13 12.640 5.109 -13.435 104 2HB LEU 13 2HB LEU 13 11.661 6.306 -14.264 105 HG LEU 13 HG LEU 13 13.552 6.844 -11.963 106 1HD1 LEU 13 1HD1 LEU 13 14.870 8.062 -13.623 107 2HD1 LEU 13 2HD1 LEU 13 13.736 7.582 -14.886 108 3HD1 LEU 13 3HD1 LEU 13 14.705 6.362 -14.059 109 1HD2 LEU 13 1HD2 LEU 13 13.069 9.214 -12.366 110 2HD2 LEU 13 2HD2 LEU 13 11.624 8.334 -11.870 111 3HD2 LEU 13 3HD2 LEU 13 11.854 8.764 -13.565 112 H ASN 14 H ASN 14 11.447 3.345 -12.826 113 HA ASN 14 HA ASN 14 9.363 2.683 -14.587 114 1HB ASN 14 1HB ASN 14 11.470 1.382 -14.376 115 2HB ASN 14 2HB ASN 14 10.947 0.816 -12.792 116 1HD2 ASN 14 2HD2 ASN 14 10.956 -1.339 -13.398 117 2HD2 ASN 14 1HD2 ASN 14 9.786 -2.012 -14.476 118 H TYR 15 H TYR 15 9.698 2.252 -11.088 119 HA TYR 15 HA TYR 15 7.346 0.780 -10.674 120 1HB TYR 15 1HB TYR 15 9.061 0.900 -8.952 121 2HB TYR 15 2HB TYR 15 8.814 2.636 -8.781 122 HD1 TYR 15 HD2 TYR 15 7.205 -0.676 -8.254 123 HD2 TYR 15 HD1 TYR 15 7.096 3.493 -7.362 124 HE1 TYR 15 HE2 TYR 15 5.487 -1.087 -6.547 125 HE2 TYR 15 HE1 TYR 15 5.378 3.085 -5.655 126 HH TYR 15 HH TYR 15 4.596 -0.032 -4.533 127 H LEU 16 H LEU 16 7.941 4.279 -10.637 128 HA LEU 16 HA LEU 16 5.368 5.007 -9.724 129 1HB LEU 16 1HB LEU 16 7.338 6.515 -9.639 130 2HB LEU 16 2HB LEU 16 7.296 6.643 -11.387 131 HG LEU 16 HG LEU 16 5.082 7.724 -11.263 132 1HD1 LEU 16 1HD1 LEU 16 4.237 6.693 -9.231 133 2HD1 LEU 16 2HD1 LEU 16 4.183 8.450 -9.096 134 3HD1 LEU 16 3HD1 LEU 16 5.450 7.541 -8.270 135 1HD2 LEU 16 1HD2 LEU 16 7.079 9.125 -11.280 136 2HD2 LEU 16 2HD2 LEU 16 7.170 9.042 -9.520 137 3HD2 LEU 16 3HD2 LEU 16 5.810 9.854 -10.296 138 H ASP 17 H ASP 17 6.790 4.734 -12.959 139 HA ASP 17 HA ASP 17 4.610 5.543 -14.484 140 1HB ASP 17 1HB ASP 17 6.817 5.069 -15.457 141 2HB ASP 17 2HB ASP 17 6.617 3.354 -15.108 142 H GLN 18 H GLN 18 5.431 2.280 -13.341 143 HA GLN 18 HA GLN 18 3.168 0.956 -14.363 144 1HB GLN 18 1HB GLN 18 5.183 -0.224 -13.602 145 2HB GLN 18 2HB GLN 18 4.862 0.274 -11.945 146 1HG GLN 18 1HG GLN 18 2.667 -0.981 -12.132 147 2HG GLN 18 2HG GLN 18 3.286 -1.649 -13.641 148 1HE2 GLN 18 2HE2 GLN 18 5.243 -0.980 -10.801 149 2HE2 GLN 18 1HE2 GLN 18 5.604 -2.628 -10.433 150 H ILE 19 H ILE 19 3.805 2.154 -11.071 151 HA ILE 19 HA ILE 19 1.419 1.213 -9.926 152 HB ILE 19 HB ILE 19 3.551 1.950 -8.718 153 1HG1 ILE 19 1HG1 ILE 19 2.245 2.847 -6.715 154 2HG1 ILE 19 2HG1 ILE 19 0.813 2.783 -7.740 155 1HG2 ILE 19 1HG2 ILE 19 3.676 4.276 -7.971 156 2HG2 ILE 19 2HG2 ILE 19 2.283 4.677 -8.976 157 3HG2 ILE 19 3HG2 ILE 19 3.790 4.154 -9.728 158 1HD1 ILE 19 1HD1 ILE 19 2.563 0.458 -6.976 159 2HD1 ILE 19 2HD1 ILE 19 1.155 0.376 -8.035 160 3HD1 ILE 19 3HD1 ILE 19 0.960 0.820 -6.339 161 H ALA 20 H ALA 20 2.184 4.136 -11.669 162 HA ALA 20 HA ALA 20 -0.308 5.437 -10.966 163 1HB ALA 20 1HB ALA 20 0.442 7.228 -12.452 164 2HB ALA 20 2HB ALA 20 1.801 6.233 -12.979 165 3HB ALA 20 3HB ALA 20 1.707 6.785 -11.306 166 H LYS 21 H LYS 21 1.021 3.555 -13.627 167 HA LYS 21 HA LYS 21 -1.027 4.335 -15.487 168 1HB LYS 21 1HB LYS 21 1.353 3.664 -16.090 169 2HB LYS 21 2HB LYS 21 0.865 2.002 -15.791 170 1HG LYS 21 1HG LYS 21 0.777 2.538 -18.167 171 2HG LYS 21 2HG LYS 21 -0.834 2.171 -17.540 172 1HD LYS 21 1HD LYS 21 -1.324 4.566 -17.382 173 2HD LYS 21 2HD LYS 21 0.296 4.944 -17.974 174 1HE LYS 21 1HE LYS 21 -0.217 3.861 -20.100 175 2HE LYS 21 2HE LYS 21 -1.822 3.426 -19.505 176 1HZ LYS 21 1HZ LYS 21 -2.312 5.794 -19.277 177 2HZ LYS 21 2HZ LYS 21 -1.933 5.392 -20.874 178 3HZ LYS 21 3HZ LYS 21 -0.791 6.183 -19.909 179 H PHE 22 H PHE 22 -0.220 1.204 -13.929 180 HA PHE 22 HA PHE 22 -2.298 -0.331 -14.868 181 1HB PHE 22 1HB PHE 22 -0.630 -1.405 -13.551 182 2HB PHE 22 2HB PHE 22 -0.915 -0.343 -12.178 183 HD1 PHE 22 HD1 PHE 22 -2.155 -3.289 -14.016 184 HD2 PHE 22 HD2 PHE 22 -2.726 -0.756 -10.639 185 HE1 PHE 22 HE1 PHE 22 -3.686 -4.941 -13.032 186 HE2 PHE 22 HE2 PHE 22 -4.251 -2.404 -9.648 187 HZ PHE 22 HZ PHE 22 -4.738 -4.504 -10.848 188 H TRP 23 H TRP 23 -2.313 1.704 -11.988 189 HA TRP 23 HA TRP 23 -5.000 1.160 -11.265 190 1HB TRP 23 1HB TRP 23 -3.357 1.785 -9.595 191 2HB TRP 23 2HB TRP 23 -3.054 3.316 -10.403 192 HD1 TRP 23 HD1 TRP 23 -3.918 5.116 -8.850 193 HE1 TRP 23 HE1 TRP 23 -6.086 5.561 -7.549 194 HE3 TRP 23 HE3 TRP 23 -6.340 0.713 -9.787 195 HZ2 TRP 23 HZ2 TRP 23 -8.498 4.213 -6.963 196 HZ3 TRP 23 HZ3 TRP 23 -8.575 0.371 -8.824 197 HH2 TRP 23 HH2 TRP 23 -9.631 2.084 -7.434 198 H GLU 24 H GLU 24 -3.410 3.649 -13.166 199 HA GLU 24 HA GLU 24 -5.558 5.440 -13.444 200 1HB GLU 24 1HB GLU 24 -3.304 6.030 -14.160 201 2HB GLU 24 2HB GLU 24 -3.310 4.746 -15.359 202 1HG GLU 24 1HG GLU 24 -5.183 5.932 -16.513 203 2HG GLU 24 2HG GLU 24 -4.968 7.262 -15.375 204 H ILE 25 H ILE 25 -4.620 2.555 -15.243 205 HA ILE 25 HA ILE 25 -6.632 2.824 -17.248 206 HB ILE 25 HB ILE 25 -4.982 0.389 -16.510 207 1HG1 ILE 25 1HG1 ILE 25 -3.529 2.229 -17.118 208 2HG1 ILE 25 2HG1 ILE 25 -3.569 1.084 -18.452 209 1HG2 ILE 25 1HG2 ILE 25 -6.941 -0.232 -17.823 210 2HG2 ILE 25 2HG2 ILE 25 -5.474 -0.399 -18.786 211 3HG2 ILE 25 3HG2 ILE 25 -6.538 0.986 -19.035 212 1HD1 ILE 25 1HD1 ILE 25 -5.065 3.695 -18.293 213 2HD1 ILE 25 2HD1 ILE 25 -5.167 2.541 -19.623 214 3HD1 ILE 25 3HD1 ILE 25 -3.642 3.353 -19.274 215 H GLN 26 H GLN 26 -6.675 1.699 -14.026 216 HA GLN 26 HA GLN 26 -8.953 -0.053 -14.339 217 1HB GLN 26 1HB GLN 26 -7.939 1.270 -11.813 218 2HB GLN 26 2HB GLN 26 -9.023 -0.113 -11.913 219 1HG GLN 26 1HG GLN 26 -6.120 -0.011 -12.703 220 2HG GLN 26 2HG GLN 26 -6.828 -0.880 -11.345 221 1HE2 GLN 26 2HE2 GLN 26 -5.238 -1.763 -13.696 222 2HE2 GLN 26 1HE2 GLN 26 -6.168 -3.025 -14.427 223 H GLY 27 H GLY 27 -9.019 2.838 -15.307 224 1HA GLY 27 1HA GLY 27 -10.623 4.461 -15.537 225 2HA GLY 27 2HA GLY 27 -11.717 3.418 -14.635 226 H SER 28 H SER 28 -8.608 4.661 -13.581 227 HA SER 28 HA SER 28 -9.851 6.475 -11.672 228 1HB SER 28 1HB SER 28 -8.167 4.105 -10.789 229 2HB SER 28 2HB SER 28 -8.784 5.379 -9.734 230 HG SER 28 HG SER 28 -10.871 4.490 -11.019 231 H SER 29 H SER 29 -7.752 7.082 -10.088 232 HA SER 29 HA SER 29 -5.334 7.334 -11.670 233 1HB SER 29 1HB SER 29 -5.279 9.850 -11.127 234 2HB SER 29 2HB SER 29 -6.365 9.332 -12.416 235 HG SER 29 HG SER 29 -8.057 9.806 -11.214 236 H LEU 30 H LEU 30 -3.490 7.894 -10.408 237 HA LEU 30 HA LEU 30 -3.675 6.785 -7.759 238 1HB LEU 30 1HB LEU 30 -1.847 6.216 -9.322 239 2HB LEU 30 2HB LEU 30 -1.287 7.876 -9.262 240 HG LEU 30 HG LEU 30 -0.780 7.614 -6.858 241 1HD1 LEU 30 1HD1 LEU 30 -0.838 5.384 -5.838 242 2HD1 LEU 30 2HD1 LEU 30 -1.614 4.743 -7.287 243 3HD1 LEU 30 3HD1 LEU 30 -2.451 5.934 -6.291 244 1HD2 LEU 30 1HD2 LEU 30 0.967 7.187 -8.507 245 2HD2 LEU 30 2HD2 LEU 30 0.461 5.502 -8.624 246 3HD2 LEU 30 3HD2 LEU 30 1.144 6.116 -7.118 247 H LYS 31 H LYS 31 -3.779 7.857 -5.905 248 HA LYS 31 HA LYS 31 -2.706 10.561 -5.699 249 1HB LYS 31 1HB LYS 31 -5.065 10.902 -6.246 250 2HB LYS 31 2HB LYS 31 -5.549 9.824 -4.946 251 1HG LYS 31 1HG LYS 31 -4.840 11.365 -3.281 252 2HG LYS 31 2HG LYS 31 -4.012 12.371 -4.469 253 1HD LYS 31 1HD LYS 31 -6.136 13.379 -3.770 254 2HD LYS 31 2HD LYS 31 -6.157 12.965 -5.483 255 1HE LYS 31 1HE LYS 31 -8.271 12.362 -4.471 256 2HE LYS 31 2HE LYS 31 -7.405 10.901 -4.940 257 1HZ LYS 31 1HZ LYS 31 -8.459 10.790 -2.721 258 2HZ LYS 31 2HZ LYS 31 -7.420 12.010 -2.187 259 3HZ LYS 31 3HZ LYS 31 -6.790 10.521 -2.678 260 H ILE 32 H ILE 32 -1.087 9.798 -4.392 261 HA ILE 32 HA ILE 32 -1.876 8.519 -1.862 262 HB ILE 32 HB ILE 32 0.529 7.898 -1.627 263 1HG1 ILE 32 1HG1 ILE 32 0.743 8.913 -4.482 264 2HG1 ILE 32 2HG1 ILE 32 1.500 9.650 -3.074 265 1HG2 ILE 32 1HG2 ILE 32 -0.816 6.895 -4.141 266 2HG2 ILE 32 2HG2 ILE 32 -1.106 6.307 -2.503 267 3HG2 ILE 32 3HG2 ILE 32 0.471 6.074 -3.258 268 1HD1 ILE 32 1HD1 ILE 32 2.860 7.643 -2.761 269 2HD1 ILE 32 2HD1 ILE 32 3.099 8.362 -4.354 270 3HD1 ILE 32 3HD1 ILE 32 2.106 6.915 -4.180 271 HA PRO 33 HA PRO 33 -0.800 12.410 0.020 272 1HB PRO 33 1HB PRO 33 -1.636 11.865 2.494 273 2HB PRO 33 2HB PRO 33 -2.786 11.944 1.152 274 1HG PRO 33 1HG PRO 33 -1.621 9.548 2.512 275 2HG PRO 33 2HG PRO 33 -3.272 9.811 1.919 276 1HD PRO 33 1HD PRO 33 -1.253 8.419 0.565 277 2HD PRO 33 2HD PRO 33 -2.745 9.046 -0.161 278 H ASN 34 H ASN 34 0.229 13.045 2.251 279 HA ASN 34 HA ASN 34 2.391 11.245 3.059 280 1HB ASN 34 1HB ASN 34 4.055 13.003 3.007 281 2HB ASN 34 2HB ASN 34 3.359 12.831 1.405 282 1HD2 ASN 34 2HD2 ASN 34 4.753 15.085 2.576 283 2HD2 ASN 34 1HD2 ASN 34 3.662 16.424 2.517 284 H VAL 35 H VAL 35 3.225 11.667 5.095 285 HA VAL 35 HA VAL 35 1.924 13.606 6.782 286 HB VAL 35 HB VAL 35 0.311 11.738 6.852 287 1HG1 VAL 35 1HG1 VAL 35 2.592 10.082 7.925 288 2HG1 VAL 35 2HG1 VAL 35 1.856 9.913 6.332 289 3HG1 VAL 35 3HG1 VAL 35 0.909 9.573 7.780 290 1HG2 VAL 35 1HG2 VAL 35 0.560 13.105 8.843 291 2HG2 VAL 35 2HG2 VAL 35 1.861 12.065 9.419 292 3HG2 VAL 35 3HG2 VAL 35 0.221 11.432 9.285 293 H GLU 36 H GLU 36 3.126 13.983 8.717 294 HA GLU 36 HA GLU 36 5.003 14.096 9.997 295 1HB GLU 36 1HB GLU 36 5.516 11.255 9.084 296 2HB GLU 36 2HB GLU 36 6.235 12.057 10.471 297 1HG GLU 36 1HG GLU 36 3.369 11.224 10.105 298 2HG GLU 36 2HG GLU 36 4.530 10.613 11.280 299 H ARG 37 H ARG 37 4.953 14.757 7.187 300 HA ARG 37 HA ARG 37 6.167 15.394 5.430 301 1HB ARG 37 1HB ARG 37 8.309 16.380 5.733 302 2HB ARG 37 2HB ARG 37 7.358 16.731 7.159 303 1HG ARG 37 1HG ARG 37 9.065 14.351 7.413 304 2HG ARG 37 2HG ARG 37 9.945 15.856 7.148 305 1HD ARG 37 1HD ARG 37 7.949 15.287 9.346 306 2HD ARG 37 2HD ARG 37 9.694 15.464 9.526 307 HE ARG 37 HE ARG 37 9.028 17.831 8.474 308 1HH1 ARG 37 1HH1 ARG 37 7.622 16.023 11.130 309 2HH1 ARG 37 2HH1 ARG 37 7.082 17.442 11.969 310 1HH2 ARG 37 1HH2 ARG 37 8.312 19.690 9.588 311 2HH2 ARG 37 2HH2 ARG 37 7.475 19.512 11.103 312 H ARG 38 H ARG 38 5.975 12.545 6.185 313 HA ARG 38 HA ARG 38 8.054 11.490 4.371 314 1HB ARG 38 1HB ARG 38 8.207 10.545 6.641 315 2HB ARG 38 2HB ARG 38 6.507 10.110 6.594 316 1HG ARG 38 1HG ARG 38 7.700 8.118 6.234 317 2HG ARG 38 2HG ARG 38 7.070 8.584 4.656 318 1HD ARG 38 1HD ARG 38 9.801 9.519 5.385 319 2HD ARG 38 2HD ARG 38 9.595 7.807 5.027 320 HE ARG 38 HE ARG 38 8.511 8.720 2.870 321 1HH1 ARG 38 1HH1 ARG 38 11.210 10.208 4.548 322 2HH1 ARG 38 2HH1 ARG 38 11.940 10.806 3.093 323 1HH2 ARG 38 1HH2 ARG 38 9.535 9.464 0.948 324 2HH2 ARG 38 2HH2 ARG 38 11.007 10.379 1.069 325 H ILE 39 H ILE 39 7.214 11.014 2.408 326 HA ILE 39 HA ILE 39 4.441 11.023 1.857 327 HB ILE 39 HB ILE 39 6.158 11.505 0.128 328 1HG1 ILE 39 1HG1 ILE 39 4.282 9.205 -0.504 329 2HG1 ILE 39 2HG1 ILE 39 3.901 10.920 -0.601 330 1HG2 ILE 39 1HG2 ILE 39 7.371 9.668 -0.948 331 2HG2 ILE 39 2HG2 ILE 39 6.692 8.531 0.218 332 3HG2 ILE 39 3HG2 ILE 39 7.793 9.800 0.760 333 1HD1 ILE 39 1HD1 ILE 39 4.269 10.002 -2.802 334 2HD1 ILE 39 2HD1 ILE 39 5.867 9.428 -2.325 335 3HD1 ILE 39 3HD1 ILE 39 5.541 11.159 -2.411 336 H LEU 40 H LEU 40 3.028 9.305 1.372 337 HA LEU 40 HA LEU 40 3.445 6.884 2.801 338 1HB LEU 40 1HB LEU 40 1.212 7.984 2.231 339 2HB LEU 40 2HB LEU 40 1.411 7.340 0.611 340 HG LEU 40 HG LEU 40 1.412 5.050 1.511 341 1HD1 LEU 40 1HD1 LEU 40 0.875 4.638 3.852 342 2HD1 LEU 40 2HD1 LEU 40 0.905 6.369 4.179 343 3HD1 LEU 40 3HD1 LEU 40 2.384 5.535 3.701 344 1HD2 LEU 40 1HD2 LEU 40 -0.958 6.690 2.443 345 2HD2 LEU 40 2HD2 LEU 40 -0.947 4.947 2.166 346 3HD2 LEU 40 3HD2 LEU 40 -0.714 6.054 0.814 347 H ASP 41 H ASP 41 5.296 5.906 2.090 348 HA ASP 41 HA ASP 41 5.983 5.675 -0.670 349 1HB ASP 41 1HB ASP 41 7.610 5.789 1.297 350 2HB ASP 41 2HB ASP 41 7.208 4.106 1.617 351 H LEU 42 H LEU 42 4.331 4.632 -1.680 352 HA LEU 42 HA LEU 42 2.964 2.363 -0.829 353 1HB LEU 42 1HB LEU 42 2.629 4.091 -2.830 354 2HB LEU 42 2HB LEU 42 3.390 2.814 -3.754 355 HG LEU 42 HG LEU 42 0.887 2.415 -2.096 356 1HD1 LEU 42 1HD1 LEU 42 0.438 4.035 -3.853 357 2HD1 LEU 42 2HD1 LEU 42 -0.344 2.498 -4.214 358 3HD1 LEU 42 3HD1 LEU 42 1.136 2.951 -5.057 359 1HD2 LEU 42 1HD2 LEU 42 2.165 0.714 -4.242 360 2HD2 LEU 42 2HD2 LEU 42 0.620 0.388 -3.457 361 3HD2 LEU 42 3HD2 LEU 42 2.109 0.353 -2.516 362 H TYR 43 H TYR 43 6.052 2.669 -2.386 363 HA TYR 43 HA TYR 43 6.356 0.065 -3.420 364 1HB TYR 43 1HB TYR 43 7.834 2.309 -3.549 365 2HB TYR 43 2HB TYR 43 8.727 1.486 -2.280 366 HD1 TYR 43 HD1 TYR 43 8.488 -1.365 -3.298 367 HD2 TYR 43 HD2 TYR 43 9.343 2.291 -5.299 368 HE1 TYR 43 HE1 TYR 43 9.733 -2.601 -5.027 369 HE2 TYR 43 HE2 TYR 43 10.580 1.078 -7.023 370 HH TYR 43 HH TYR 43 11.761 -1.065 -7.279 371 H SER 44 H SER 44 7.632 1.475 -0.415 372 HA SER 44 HA SER 44 8.501 -0.932 0.743 373 1HB SER 44 1HB SER 44 9.257 1.338 1.455 374 2HB SER 44 2HB SER 44 7.664 1.623 2.156 375 HG SER 44 HG SER 44 8.619 0.807 3.859 376 H LEU 45 H LEU 45 5.483 0.881 1.003 377 HA LEU 45 HA LEU 45 4.159 -0.611 2.930 378 1HB LEU 45 1HB LEU 45 3.243 1.462 2.089 379 2HB LEU 45 2HB LEU 45 3.098 0.796 0.473 380 HG LEU 45 HG LEU 45 1.374 -0.785 1.301 381 1HD1 LEU 45 1HD1 LEU 45 0.370 -0.425 3.511 382 2HD1 LEU 45 2HD1 LEU 45 1.630 0.751 3.887 383 3HD1 LEU 45 3HD1 LEU 45 2.051 -0.942 3.627 384 1HD2 LEU 45 1HD2 LEU 45 -0.413 0.869 1.554 385 2HD2 LEU 45 2HD2 LEU 45 0.709 1.323 0.272 386 3HD2 LEU 45 3HD2 LEU 45 0.788 2.129 1.839 387 H SER 46 H SER 46 4.267 -1.074 -0.583 388 HA SER 46 HA SER 46 2.516 -3.253 -0.715 389 1HB SER 46 1HB SER 46 3.196 -1.902 -2.681 390 2HB SER 46 2HB SER 46 4.817 -2.585 -2.579 391 HG SER 46 HG SER 46 2.595 -4.296 -2.763 392 H LYS 47 H LYS 47 6.098 -3.166 -0.602 393 HA LYS 47 HA LYS 47 6.379 -5.977 -0.690 394 1HB LYS 47 1HB LYS 47 8.685 -5.659 -0.003 395 2HB LYS 47 2HB LYS 47 8.250 -4.466 -1.215 396 1HG LYS 47 1HG LYS 47 8.133 -2.734 0.402 397 2HG LYS 47 2HG LYS 47 8.238 -3.881 1.737 398 1HD LYS 47 1HD LYS 47 10.448 -3.539 -0.293 399 2HD LYS 47 2HD LYS 47 10.353 -2.576 1.180 400 1HE LYS 47 1HE LYS 47 11.844 -4.400 1.597 401 2HE LYS 47 2HE LYS 47 10.359 -4.711 2.492 402 1HZ LYS 47 1HZ LYS 47 11.239 -6.683 1.353 403 2HZ LYS 47 2HZ LYS 47 11.033 -5.917 -0.137 404 3HZ LYS 47 3HZ LYS 47 9.688 -6.284 0.813 405 H ILE 48 H ILE 48 6.006 -3.710 1.999 406 HA ILE 48 HA ILE 48 6.592 -5.555 4.068 407 HB ILE 48 HB ILE 48 4.983 -3.001 4.064 408 1HG1 ILE 48 1HG1 ILE 48 7.702 -3.714 5.211 409 2HG1 ILE 48 2HG1 ILE 48 7.420 -2.791 3.740 410 1HG2 ILE 48 1HG2 ILE 48 5.667 -4.741 6.444 411 2HG2 ILE 48 2HG2 ILE 48 4.053 -4.417 5.811 412 3HG2 ILE 48 3HG2 ILE 48 4.994 -3.113 6.532 413 1HD1 ILE 48 1HD1 ILE 48 6.361 -1.027 5.057 414 2HD1 ILE 48 2HD1 ILE 48 8.015 -1.342 5.584 415 3HD1 ILE 48 3HD1 ILE 48 6.658 -1.952 6.530 416 H VAL 49 H VAL 49 3.488 -4.547 2.617 417 HA VAL 49 HA VAL 49 1.797 -6.172 4.142 418 HB VAL 49 HB VAL 49 1.519 -5.372 1.219 419 1HG1 VAL 49 1HG1 VAL 49 0.094 -7.292 1.700 420 2HG1 VAL 49 2HG1 VAL 49 -0.884 -5.838 1.500 421 3HG1 VAL 49 3HG1 VAL 49 -0.567 -6.471 3.115 422 1HG2 VAL 49 1HG2 VAL 49 0.051 -3.608 2.069 423 2HG2 VAL 49 2HG2 VAL 49 1.664 -3.472 2.764 424 3HG2 VAL 49 3HG2 VAL 49 0.347 -4.144 3.724 425 H VAL 50 H VAL 50 3.670 -6.885 1.208 426 HA VAL 50 HA VAL 50 2.810 -9.535 0.805 427 HB VAL 50 HB VAL 50 5.501 -8.293 0.160 428 1HG1 VAL 50 1HG1 VAL 50 5.684 -10.725 0.209 429 2HG1 VAL 50 2HG1 VAL 50 5.770 -10.136 -1.450 430 3HG1 VAL 50 3HG1 VAL 50 4.283 -10.870 -0.851 431 1HG2 VAL 50 1HG2 VAL 50 4.598 -8.044 -2.103 432 2HG2 VAL 50 2HG2 VAL 50 3.614 -7.173 -0.928 433 3HG2 VAL 50 3HG2 VAL 50 3.057 -8.719 -1.570 434 H GLU 51 H GLU 51 5.477 -8.223 2.768 435 HA GLU 51 HA GLU 51 6.537 -10.673 3.657 436 1HB GLU 51 1HB GLU 51 6.432 -8.081 5.232 437 2HB GLU 51 2HB GLU 51 7.546 -9.415 5.490 438 1HG GLU 51 1HG GLU 51 7.454 -7.586 3.099 439 2HG GLU 51 2HG GLU 51 8.655 -7.578 4.383 440 H GLU 52 H GLU 52 3.913 -8.663 4.842 441 HA GLU 52 HA GLU 52 3.478 -10.101 7.258 442 1HB GLU 52 1HB GLU 52 1.694 -8.185 5.748 443 2HB GLU 52 2HB GLU 52 1.393 -8.756 7.380 444 1HG GLU 52 1HG GLU 52 3.684 -7.045 6.442 445 2HG GLU 52 2HG GLU 52 2.353 -6.568 7.492 446 H GLY 53 H GLY 53 2.131 -10.318 4.007 447 1HA GLY 53 1HA GLY 53 1.590 -12.503 3.176 448 2HA GLY 53 2HA GLY 53 1.064 -12.956 4.787 449 H GLY 54 H GLY 54 -0.291 -10.019 4.508 450 1HA GLY 54 1HA GLY 54 -2.228 -10.127 2.538 451 2HA GLY 54 2HA GLY 54 -2.878 -11.049 3.885 452 H TYR 55 H TYR 55 -3.308 -8.274 2.518 453 HA TYR 55 HA TYR 55 -2.813 -6.228 4.353 454 1HB TYR 55 1HB TYR 55 -3.439 -5.454 2.255 455 2HB TYR 55 2HB TYR 55 -4.742 -6.622 2.093 456 HD1 TYR 55 HD2 TYR 55 -3.775 -3.469 3.775 457 HD2 TYR 55 HD1 TYR 55 -6.955 -6.057 2.677 458 HE1 TYR 55 HE2 TYR 55 -5.396 -1.756 4.465 459 HE2 TYR 55 HE1 TYR 55 -8.588 -4.355 3.361 460 HH TYR 55 HH TYR 55 -8.778 -2.440 4.725 461 H GLU 56 H GLU 56 -5.788 -8.132 3.886 462 HA GLU 56 HA GLU 56 -7.339 -6.948 5.861 463 1HB GLU 56 1HB GLU 56 -8.116 -8.573 4.109 464 2HB GLU 56 2HB GLU 56 -7.416 -9.871 5.061 465 1HG GLU 56 1HG GLU 56 -9.503 -8.031 6.198 466 2HG GLU 56 2HG GLU 56 -9.938 -9.441 5.239 467 H ALA 57 H ALA 57 -4.938 -9.510 6.107 468 HA ALA 57 HA ALA 57 -5.473 -10.265 8.778 469 1HB ALA 57 1HB ALA 57 -3.257 -11.314 8.730 470 2HB ALA 57 2HB ALA 57 -2.882 -10.460 7.231 471 3HB ALA 57 3HB ALA 57 -4.166 -11.670 7.260 472 H ILE 58 H ILE 58 -3.107 -8.011 7.376 473 HA ILE 58 HA ILE 58 -1.901 -7.147 9.757 474 HB ILE 58 HB ILE 58 -2.431 -5.349 7.393 475 1HG1 ILE 58 1HG1 ILE 58 -0.131 -7.301 7.670 476 2HG1 ILE 58 2HG1 ILE 58 -1.530 -7.559 6.635 477 1HG2 ILE 58 1HG2 ILE 58 -0.142 -5.443 9.348 478 2HG2 ILE 58 2HG2 ILE 58 -1.459 -4.268 9.342 479 3HG2 ILE 58 3HG2 ILE 58 -0.309 -4.312 8.004 480 1HD1 ILE 58 1HD1 ILE 58 -0.944 -5.580 5.339 481 2HD1 ILE 58 2HD1 ILE 58 0.372 -6.754 5.365 482 3HD1 ILE 58 3HD1 ILE 58 0.456 -5.314 6.379 483 H CYS 59 H CYS 59 -4.722 -5.967 8.006 484 HA CYS 59 HA CYS 59 -5.216 -3.687 9.584 485 1HB CYS 59 1HB CYS 59 -6.137 -4.032 7.307 486 2HB CYS 59 2HB CYS 59 -7.183 -5.303 7.934 487 HG CYS 59 HG CYS 59 -8.981 -3.374 7.755 488 H LYS 60 H LYS 60 -6.495 -7.000 9.724 489 HA LYS 60 HA LYS 60 -8.291 -6.354 11.884 490 1HB LYS 60 1HB LYS 60 -8.385 -8.250 9.978 491 2HB LYS 60 2HB LYS 60 -7.632 -9.195 11.253 492 1HG LYS 60 1HG LYS 60 -10.059 -9.465 11.240 493 2HG LYS 60 2HG LYS 60 -9.497 -8.725 12.741 494 1HD LYS 60 1HD LYS 60 -11.466 -7.550 12.057 495 2HD LYS 60 2HD LYS 60 -10.094 -6.486 11.771 496 1HE LYS 60 1HE LYS 60 -11.490 -8.155 9.669 497 2HE LYS 60 2HE LYS 60 -11.737 -6.433 9.930 498 1HZ LYS 60 1HZ LYS 60 -10.244 -6.663 8.133 499 2HZ LYS 60 2HZ LYS 60 -9.283 -7.782 8.955 500 3HZ LYS 60 3HZ LYS 60 -9.307 -6.164 9.448 501 H ASP 61 H ASP 61 -5.033 -7.341 11.574 502 HA ASP 61 HA ASP 61 -4.829 -8.268 14.331 503 1HB ASP 61 1HB ASP 61 -3.508 -9.373 12.533 504 2HB ASP 61 2HB ASP 61 -2.654 -7.858 12.255 505 H ARG 62 H ARG 62 -4.709 -5.368 12.610 506 HA ARG 62 HA ARG 62 -4.192 -3.219 13.137 507 1HB ARG 62 1HB ARG 62 -3.737 -4.323 15.927 508 2HB ARG 62 2HB ARG 62 -3.831 -2.615 15.517 509 1HG ARG 62 1HG ARG 62 -6.110 -2.674 15.184 510 2HG ARG 62 2HG ARG 62 -6.117 -4.394 14.791 511 1HD ARG 62 1HD ARG 62 -5.641 -3.230 17.540 512 2HD ARG 62 2HD ARG 62 -7.158 -3.932 16.975 513 HE ARG 62 HE ARG 62 -4.752 -5.602 16.891 514 1HH1 ARG 62 1HH1 ARG 62 -7.825 -4.869 18.403 515 2HH1 ARG 62 2HH1 ARG 62 -7.916 -6.388 19.239 516 1HH2 ARG 62 1HH2 ARG 62 -4.884 -7.612 17.980 517 2HH2 ARG 62 2HH2 ARG 62 -6.251 -7.944 19.000 518 H ARG 63 H ARG 63 -2.258 -5.204 12.222 519 HA ARG 63 HA ARG 63 0.233 -4.876 13.608 520 1HB ARG 63 1HB ARG 63 -0.562 -6.843 12.150 521 2HB ARG 63 2HB ARG 63 -0.154 -5.844 10.771 522 1HG ARG 63 1HG ARG 63 1.690 -7.240 11.067 523 2HG ARG 63 2HG ARG 63 2.191 -5.699 11.766 524 1HD ARG 63 1HD ARG 63 1.866 -6.506 13.983 525 2HD ARG 63 2HD ARG 63 1.027 -7.947 13.406 526 HE ARG 63 HE ARG 63 3.766 -7.665 12.501 527 1HH1 ARG 63 1HH1 ARG 63 1.618 -9.007 14.919 528 2HH1 ARG 63 2HH1 ARG 63 2.730 -10.242 15.409 529 1HH2 ARG 63 1HH2 ARG 63 5.244 -9.302 13.154 530 2HH2 ARG 63 2HH2 ARG 63 4.786 -10.405 14.413 531 H TRP 64 H TRP 64 -1.521 -2.954 11.446 532 HA TRP 64 HA TRP 64 0.457 -1.601 10.010 533 1HB TRP 64 1HB TRP 64 -2.110 -0.487 11.172 534 2HB TRP 64 2HB TRP 64 -1.107 0.336 9.985 535 HD1 TRP 64 HD1 TRP 64 -4.184 -1.429 10.075 536 HE1 TRP 64 HE1 TRP 64 -4.761 -2.522 7.825 537 HE3 TRP 64 HE3 TRP 64 0.440 -1.279 7.844 538 HZ2 TRP 64 HZ2 TRP 64 -3.462 -3.228 5.458 539 HZ3 TRP 64 HZ3 TRP 64 0.666 -2.188 5.574 540 HH2 TRP 64 HH2 TRP 64 -1.248 -3.148 4.402 541 H ALA 65 H ALA 65 -0.265 -1.615 13.367 542 HA ALA 65 HA ALA 65 0.690 0.817 14.267 543 1HB ALA 65 1HB ALA 65 -0.318 -0.893 15.718 544 2HB ALA 65 2HB ALA 65 1.225 -0.327 16.355 545 3HB ALA 65 3HB ALA 65 1.127 -1.890 15.543 546 H ARG 66 H ARG 66 2.588 -2.195 13.994 547 HA ARG 66 HA ARG 66 5.058 -0.763 14.332 548 1HB ARG 66 1HB ARG 66 6.117 -2.999 13.942 549 2HB ARG 66 2HB ARG 66 4.961 -2.948 15.263 550 1HG ARG 66 1HG ARG 66 3.294 -4.048 13.916 551 2HG ARG 66 2HG ARG 66 4.355 -3.995 12.504 552 1HD ARG 66 1HD ARG 66 5.034 -5.423 15.079 553 2HD ARG 66 2HD ARG 66 4.300 -6.206 13.679 554 HE ARG 66 HE ARG 66 6.568 -4.921 12.753 555 1HH1 ARG 66 1HH1 ARG 66 5.888 -7.428 15.112 556 2HH1 ARG 66 2HH1 ARG 66 7.359 -8.287 14.789 557 1HH2 ARG 66 1HH2 ARG 66 8.506 -6.054 12.354 558 2HH2 ARG 66 2HH2 ARG 66 8.847 -7.504 13.245 559 H VAL 67 H VAL 67 3.182 -1.835 11.604 560 HA VAL 67 HA VAL 67 5.203 -1.687 9.620 561 HB VAL 67 HB VAL 67 2.217 -1.207 9.375 562 1HG1 VAL 67 1HG1 VAL 67 2.522 -1.571 6.957 563 2HG1 VAL 67 2HG1 VAL 67 4.270 -1.626 7.193 564 3HG1 VAL 67 3HG1 VAL 67 3.383 -0.136 7.518 565 1HG2 VAL 67 1HG2 VAL 67 2.141 -3.488 8.494 566 2HG2 VAL 67 2HG2 VAL 67 2.810 -3.468 10.125 567 3HG2 VAL 67 3HG2 VAL 67 3.880 -3.650 8.735 568 H ALA 68 H ALA 68 2.674 0.681 10.463 569 HA ALA 68 HA ALA 68 3.716 2.833 9.014 570 1HB ALA 68 1HB ALA 68 2.071 2.951 11.551 571 2HB ALA 68 2HB ALA 68 1.422 2.765 9.923 572 3HB ALA 68 3HB ALA 68 2.268 4.246 10.367 573 H GLN 69 H GLN 69 4.307 1.712 12.312 574 HA GLN 69 HA GLN 69 5.960 3.783 13.199 575 1HB GLN 69 1HB GLN 69 5.057 1.994 14.643 576 2HB GLN 69 2HB GLN 69 6.124 0.833 13.868 577 1HG GLN 69 1HG GLN 69 8.069 2.001 14.741 578 2HG GLN 69 2HG GLN 69 7.027 3.228 15.463 579 1HE2 GLN 69 2HE2 GLN 69 7.767 2.806 17.531 580 2HE2 GLN 69 1HE2 GLN 69 7.331 1.376 18.399 581 H ARG 70 H ARG 70 6.692 0.921 11.256 582 HA ARG 70 HA ARG 70 9.497 1.267 11.102 583 1HB ARG 70 1HB ARG 70 7.741 -0.639 10.236 584 2HB ARG 70 2HB ARG 70 8.101 0.163 8.719 585 1HG ARG 70 1HG ARG 70 10.222 -0.942 10.558 586 2HG ARG 70 2HG ARG 70 9.485 -1.867 9.255 587 1HD ARG 70 1HD ARG 70 11.461 -1.067 8.313 588 2HD ARG 70 2HD ARG 70 10.243 0.063 7.727 589 HE ARG 70 HE ARG 70 11.319 1.099 10.091 590 1HH1 ARG 70 1HH1 ARG 70 12.397 0.350 6.843 591 2HH1 ARG 70 2HH1 ARG 70 13.572 1.629 6.804 592 1HH2 ARG 70 1HH2 ARG 70 12.878 2.778 10.037 593 2HH2 ARG 70 2HH2 ARG 70 13.845 3.002 8.612 594 H LEU 71 H LEU 71 6.782 2.486 9.196 595 HA LEU 71 HA LEU 71 8.433 4.086 7.447 596 1HB LEU 71 1HB LEU 71 5.464 3.878 7.889 597 2HB LEU 71 2HB LEU 71 6.139 5.159 6.899 598 HG LEU 71 HG LEU 71 7.163 3.426 5.423 599 1HD1 LEU 71 1HD1 LEU 71 6.398 1.113 5.575 600 2HD1 LEU 71 2HD1 LEU 71 5.537 1.487 7.067 601 3HD1 LEU 71 3HD1 LEU 71 7.297 1.585 7.015 602 1HD2 LEU 71 1HD2 LEU 71 5.042 4.472 4.832 603 2HD2 LEU 71 2HD2 LEU 71 4.165 3.249 5.751 604 3HD2 LEU 71 3HD2 LEU 71 5.076 2.787 4.313 605 H ASN 72 H ASN 72 8.207 4.389 10.539 606 HA ASN 72 HA ASN 72 8.559 5.962 12.081 607 1HB ASN 72 1HB ASN 72 9.665 8.030 11.525 608 2HB ASN 72 2HB ASN 72 10.340 6.734 10.555 609 1HD2 ASN 72 2HD2 ASN 72 8.060 9.439 10.459 610 2HD2 ASN 72 1HD2 ASN 72 8.255 9.767 8.776 611 H TYR 73 H TYR 73 5.878 5.761 10.672 612 HA TYR 73 HA TYR 73 4.669 8.307 11.338 613 1HB TYR 73 1HB TYR 73 3.359 5.644 10.716 614 2HB TYR 73 2HB TYR 73 2.536 7.193 10.826 615 HD1 TYR 73 HD1 TYR 73 4.711 8.784 9.273 616 HD2 TYR 73 HD2 TYR 73 2.686 5.116 8.506 617 HE1 TYR 73 HE1 TYR 73 5.006 9.127 6.854 618 HE2 TYR 73 HE2 TYR 73 2.978 5.449 6.095 619 HH TYR 73 HH TYR 73 5.035 7.872 4.798 620 HA PRO 74 HA PRO 74 4.084 7.541 15.692 621 1HB PRO 74 1HB PRO 74 1.417 8.815 15.252 622 2HB PRO 74 2HB PRO 74 2.673 9.209 16.433 623 1HG PRO 74 1HG PRO 74 2.302 10.749 14.297 624 2HG PRO 74 2HG PRO 74 3.939 10.400 14.886 625 1HD PRO 74 1HD PRO 74 2.479 9.245 12.538 626 2HD PRO 74 2HD PRO 74 4.193 9.682 12.699 627 HA PRO 75 HA PRO 75 1.578 3.797 15.431 628 1HB PRO 75 1HB PRO 75 2.194 2.843 17.897 629 2HB PRO 75 2HB PRO 75 3.320 2.750 16.537 630 1HG PRO 75 1HG PRO 75 3.232 4.729 18.789 631 2HG PRO 75 2HG PRO 75 4.632 3.896 18.086 632 1HD PRO 75 1HD PRO 75 3.972 6.454 17.448 633 2HD PRO 75 2HD PRO 75 4.761 5.352 16.301 634 H GLY 76 H GLY 76 0.337 2.755 17.716 635 1HA GLY 76 1HA GLY 76 -1.483 3.047 19.118 636 2HA GLY 76 2HA GLY 76 -1.225 4.786 19.032 637 H LYS 77 H LYS 77 -1.424 3.071 16.088 638 HA LYS 77 HA LYS 77 -2.930 2.921 14.408 639 1HB LYS 77 1HB LYS 77 -4.423 1.998 16.191 640 2HB LYS 77 2HB LYS 77 -5.032 3.620 16.472 641 1HG LYS 77 1HG LYS 77 -5.922 3.691 14.196 642 2HG LYS 77 2HG LYS 77 -5.282 2.076 13.892 643 1HD LYS 77 1HD LYS 77 -7.583 1.791 14.379 644 2HD LYS 77 2HD LYS 77 -6.714 1.273 15.821 645 1HE LYS 77 1HE LYS 77 -7.975 3.995 15.456 646 2HE LYS 77 2HE LYS 77 -8.735 2.647 16.295 647 1HZ LYS 77 1HZ LYS 77 -7.791 3.973 17.948 648 2HZ LYS 77 2HZ LYS 77 -6.345 4.189 17.103 649 3HZ LYS 77 3HZ LYS 77 -6.707 2.684 17.785 650 H ASN 78 H ASN 78 -2.034 5.671 15.860 651 HA ASN 78 HA ASN 78 -3.827 7.669 15.197 652 1HB ASN 78 1HB ASN 78 -0.798 7.783 15.231 653 2HB ASN 78 2HB ASN 78 -1.834 9.202 15.124 654 1HD2 ASN 78 2HD2 ASN 78 -1.068 10.050 17.045 655 2HD2 ASN 78 1HD2 ASN 78 -1.484 9.379 18.584 656 H ILE 79 H ILE 79 -0.987 6.707 13.236 657 HA ILE 79 HA ILE 79 -2.329 7.851 10.879 658 HB ILE 79 HB ILE 79 0.550 6.946 11.176 659 1HG1 ILE 79 1HG1 ILE 79 0.170 8.909 12.542 660 2HG1 ILE 79 2HG1 ILE 79 1.046 9.401 11.096 661 1HG2 ILE 79 1HG2 ILE 79 -0.223 6.777 8.867 662 2HG2 ILE 79 2HG2 ILE 79 0.919 8.109 9.041 663 3HG2 ILE 79 3HG2 ILE 79 -0.808 8.442 8.925 664 1HD1 ILE 79 1HD1 ILE 79 -1.910 9.744 11.566 665 2HD1 ILE 79 2HD1 ILE 79 -1.027 10.241 10.122 666 3HD1 ILE 79 3HD1 ILE 79 -0.679 11.003 11.675 667 H GLY 80 H GLY 80 -1.635 4.894 12.400 668 1HA GLY 80 1HA GLY 80 -1.383 3.088 10.298 669 2HA GLY 80 2HA GLY 80 -2.157 2.729 11.836 670 H SER 81 H SER 81 -4.330 4.444 11.746 671 HA SER 81 HA SER 81 -6.131 3.006 10.097 672 1HB SER 81 1HB SER 81 -6.769 4.102 12.258 673 2HB SER 81 2HB SER 81 -6.613 5.670 11.468 674 HG SER 81 HG SER 81 -8.664 5.309 11.068 675 H LEU 82 H LEU 82 -4.570 6.165 9.812 676 HA LEU 82 HA LEU 82 -5.886 7.171 7.565 677 1HB LEU 82 1HB LEU 82 -4.240 8.379 9.038 678 2HB LEU 82 2HB LEU 82 -2.951 7.481 8.273 679 HG LEU 82 HG LEU 82 -3.301 9.882 7.514 680 1HD1 LEU 82 1HD1 LEU 82 -2.829 9.403 5.163 681 2HD1 LEU 82 2HD1 LEU 82 -3.345 7.732 5.398 682 3HD1 LEU 82 3HD1 LEU 82 -1.922 8.342 6.240 683 1HD2 LEU 82 1HD2 LEU 82 -5.734 9.861 7.403 684 2HD2 LEU 82 2HD2 LEU 82 -5.678 8.670 6.102 685 3HD2 LEU 82 3HD2 LEU 82 -5.033 10.291 5.843 686 H LEU 83 H LEU 83 -2.937 5.225 7.771 687 HA LEU 83 HA LEU 83 -2.421 4.820 5.077 688 1HB LEU 83 1HB LEU 83 -0.804 4.185 6.711 689 2HB LEU 83 2HB LEU 83 -1.930 3.104 7.508 690 HG LEU 83 HG LEU 83 -1.821 1.547 5.627 691 1HD1 LEU 83 1HD1 LEU 83 -1.495 3.150 3.819 692 2HD1 LEU 83 2HD1 LEU 83 -0.263 1.890 3.783 693 3HD1 LEU 83 3HD1 LEU 83 0.134 3.491 4.404 694 1HD2 LEU 83 1HD2 LEU 83 -0.198 1.300 7.434 695 2HD2 LEU 83 2HD2 LEU 83 0.917 2.382 6.597 696 3HD2 LEU 83 3HD2 LEU 83 0.502 0.821 5.889 697 H ARG 84 H ARG 84 -4.257 2.720 7.292 698 HA ARG 84 HA ARG 84 -5.034 0.815 5.396 699 1HB ARG 84 1HB ARG 84 -5.163 0.436 7.807 700 2HB ARG 84 2HB ARG 84 -6.401 1.670 7.964 701 1HG ARG 84 1HG ARG 84 -6.902 -0.683 6.189 702 2HG ARG 84 2HG ARG 84 -7.030 -0.871 7.936 703 1HD ARG 84 1HD ARG 84 -8.679 0.931 8.017 704 2HD ARG 84 2HD ARG 84 -8.541 1.152 6.274 705 HE ARG 84 HE ARG 84 -9.243 -1.407 6.395 706 1HH1 ARG 84 1HH1 ARG 84 -10.525 1.358 8.124 707 2HH1 ARG 84 2HH1 ARG 84 -12.132 0.711 8.219 708 1HH2 ARG 84 1HH2 ARG 84 -11.344 -2.251 6.495 709 2HH2 ARG 84 2HH2 ARG 84 -12.607 -1.347 7.275 710 H SER 85 H SER 85 -6.567 3.842 6.371 711 HA SER 85 HA SER 85 -9.034 3.464 5.106 712 1HB SER 85 1HB SER 85 -7.580 6.045 5.741 713 2HB SER 85 2HB SER 85 -9.283 5.927 5.293 714 HG SER 85 HG SER 85 -8.293 5.760 7.694 715 H HIS 86 H HIS 86 -6.045 5.030 3.917 716 HA HIS 86 HA HIS 86 -7.218 5.557 1.327 717 1HB HIS 86 1HB HIS 86 -4.353 5.690 2.298 718 2HB HIS 86 2HB HIS 86 -4.832 6.081 0.650 719 HD1 HIS 86 HD1 HIS 86 -6.429 8.196 0.378 720 HD2 HIS 86 HD2 HIS 86 -4.685 7.704 4.113 721 HE1 HIS 86 HE1 HIS 86 -6.694 10.407 1.540 722 HE2 HIS 86 HE2 HIS 86 -5.819 10.019 3.864 723 H TYR 87 H TYR 87 -5.346 2.987 2.755 724 HA TYR 87 HA TYR 87 -4.510 1.652 0.445 725 1HB TYR 87 1HB TYR 87 -3.893 1.124 2.861 726 2HB TYR 87 2HB TYR 87 -5.440 0.301 2.993 727 HD1 TYR 87 HD2 TYR 87 -5.849 -1.486 0.982 728 HD2 TYR 87 HD1 TYR 87 -2.047 -0.186 2.418 729 HE1 TYR 87 HE2 TYR 87 -4.819 -3.540 0.121 730 HE2 TYR 87 HE1 TYR 87 -1.017 -2.240 1.552 731 HH TYR 87 HH TYR 87 -2.656 -4.374 -0.561 732 H GLU 88 H GLU 88 -7.515 1.518 2.273 733 HA GLU 88 HA GLU 88 -8.842 -0.598 1.194 734 1HB GLU 88 1HB GLU 88 -9.728 0.773 3.018 735 2HB GLU 88 2HB GLU 88 -10.013 2.103 1.903 736 1HG GLU 88 1HG GLU 88 -11.572 0.548 0.647 737 2HG GLU 88 2HG GLU 88 -11.425 -0.554 2.013 738 H ARG 89 H ARG 89 -8.385 2.562 -0.341 739 HA ARG 89 HA ARG 89 -10.122 1.660 -2.551 740 1HB ARG 89 1HB ARG 89 -10.775 3.738 -1.366 741 2HB ARG 89 2HB ARG 89 -9.262 4.476 -1.870 742 1HG ARG 89 1HG ARG 89 -9.914 4.557 -4.120 743 2HG ARG 89 2HG ARG 89 -11.207 3.378 -3.879 744 1HD ARG 89 1HD ARG 89 -11.133 6.185 -2.762 745 2HD ARG 89 2HD ARG 89 -12.113 5.636 -4.124 746 HE ARG 89 HE ARG 89 -12.871 3.962 -2.158 747 1HH1 ARG 89 1HH1 ARG 89 -12.614 7.455 -2.271 748 2HH1 ARG 89 2HH1 ARG 89 -13.888 7.711 -1.122 749 1HH2 ARG 89 1HH2 ARG 89 -14.535 4.288 -0.644 750 2HH2 ARG 89 2HH2 ARG 89 -14.983 5.900 -0.184 751 H ILE 90 H ILE 90 -6.935 3.012 -1.848 752 HA ILE 90 HA ILE 90 -6.304 3.232 -4.675 753 HB ILE 90 HB ILE 90 -4.602 3.817 -2.242 754 1HG1 ILE 90 1HG1 ILE 90 -6.539 5.316 -2.437 755 2HG1 ILE 90 2HG1 ILE 90 -5.041 6.181 -2.762 756 1HG2 ILE 90 1HG2 ILE 90 -3.113 5.012 -3.799 757 2HG2 ILE 90 2HG2 ILE 90 -4.081 4.432 -5.154 758 3HG2 ILE 90 3HG2 ILE 90 -3.195 3.285 -4.150 759 1HD1 ILE 90 1HD1 ILE 90 -5.486 6.042 -5.161 760 2HD1 ILE 90 2HD1 ILE 90 -6.794 6.849 -4.296 761 3HD1 ILE 90 3HD1 ILE 90 -6.988 5.180 -4.830 762 H VAL 91 H VAL 91 -4.968 1.437 -1.875 763 HA VAL 91 HA VAL 91 -3.179 0.026 -3.724 764 HB VAL 91 HB VAL 91 -3.110 -0.064 -0.701 765 1HG1 VAL 91 1HG1 VAL 91 -0.754 -0.700 -1.041 766 2HG1 VAL 91 2HG1 VAL 91 -1.008 -0.679 -2.787 767 3HG1 VAL 91 3HG1 VAL 91 -1.864 -1.851 -1.785 768 1HG2 VAL 91 1HG2 VAL 91 -2.930 2.266 -1.411 769 2HG2 VAL 91 2HG2 VAL 91 -1.638 1.839 -2.533 770 3HG2 VAL 91 3HG2 VAL 91 -1.384 1.680 -0.794 771 H TYR 92 H TYR 92 -6.117 -0.495 -2.136 772 HA TYR 92 HA TYR 92 -5.882 -3.144 -1.268 773 1HB TYR 92 1HB TYR 92 -7.805 -1.380 -0.951 774 2HB TYR 92 2HB TYR 92 -8.478 -2.135 -2.387 775 HD1 TYR 92 HD2 TYR 92 -6.841 -4.762 -0.876 776 HD2 TYR 92 HD1 TYR 92 -10.206 -2.233 -0.247 777 HE1 TYR 92 HE2 TYR 92 -7.867 -6.481 0.550 778 HE2 TYR 92 HE1 TYR 92 -11.237 -3.948 1.178 779 HH TYR 92 HH TYR 92 -11.098 -6.399 1.504 780 HA PRO 93 HA PRO 93 -7.479 -4.432 -5.761 781 1HB PRO 93 1HB PRO 93 -6.249 -2.157 -7.254 782 2HB PRO 93 2HB PRO 93 -7.754 -3.027 -7.575 783 1HG PRO 93 1HG PRO 93 -7.807 -0.576 -6.539 784 2HG PRO 93 2HG PRO 93 -8.945 -1.820 -5.982 785 1HD PRO 93 1HD PRO 93 -6.458 -0.794 -4.660 786 2HD PRO 93 2HD PRO 93 -8.021 -1.234 -3.938 787 H TYR 94 H TYR 94 -4.540 -2.673 -5.014 788 HA TYR 94 HA TYR 94 -2.853 -4.169 -6.758 789 1HB TYR 94 1HB TYR 94 -2.405 -2.121 -4.631 790 2HB TYR 94 2HB TYR 94 -1.041 -3.122 -5.124 791 HD1 TYR 94 HD1 TYR 94 -0.127 -2.967 -7.379 792 HD2 TYR 94 HD2 TYR 94 -3.364 -0.466 -6.176 793 HE1 TYR 94 HE1 TYR 94 0.265 -1.526 -9.328 794 HE2 TYR 94 HE2 TYR 94 -2.968 0.984 -8.114 795 HH TYR 94 HH TYR 94 -1.102 1.547 -9.653 796 H GLU 95 H GLU 95 -4.057 -4.706 -3.520 797 HA GLU 95 HA GLU 95 -2.169 -6.671 -2.750 798 1HB GLU 95 1HB GLU 95 -3.871 -5.823 -1.146 799 2HB GLU 95 2HB GLU 95 -5.134 -6.616 -2.087 800 1HG GLU 95 1HG GLU 95 -3.808 -8.783 -1.690 801 2HG GLU 95 2HG GLU 95 -2.949 -7.875 -0.451 802 H MET 96 H MET 96 -5.291 -6.905 -4.420 803 HA MET 96 HA MET 96 -5.178 -9.668 -4.963 804 1HB MET 96 1HB MET 96 -7.253 -8.303 -5.064 805 2HB MET 96 2HB MET 96 -6.645 -7.514 -6.511 806 1HG MET 96 1HG MET 96 -6.679 -9.632 -7.709 807 2HG MET 96 2HG MET 96 -7.229 -10.462 -6.254 808 1HE MET 96 1HE MET 96 -10.785 -8.826 -5.753 809 2HE MET 96 2HE MET 96 -9.259 -8.251 -5.083 810 3HE MET 96 3HE MET 96 -9.616 -9.978 -5.106 811 H TYR 97 H TYR 97 -3.965 -6.861 -6.686 812 HA TYR 97 HA TYR 97 -3.205 -8.111 -9.089 813 1HB TYR 97 1HB TYR 97 -3.248 -5.713 -8.952 814 2HB TYR 97 2HB TYR 97 -2.106 -5.706 -7.617 815 HD1 TYR 97 HD2 TYR 97 -2.377 -6.567 -11.251 816 HD2 TYR 97 HD1 TYR 97 0.180 -5.426 -8.035 817 HE1 TYR 97 HE2 TYR 97 -0.520 -6.269 -12.833 818 HE2 TYR 97 HE1 TYR 97 2.035 -5.118 -9.615 819 HH TYR 97 HH TYR 97 2.737 -5.769 -11.778 820 H GLN 98 H GLN 98 -1.124 -7.279 -6.298 821 HA GLN 98 HA GLN 98 1.133 -8.667 -7.252 822 1HB GLN 98 1HB GLN 98 1.164 -6.856 -5.516 823 2HB GLN 98 2HB GLN 98 0.483 -8.000 -4.368 824 1HG GLN 98 1HG GLN 98 2.845 -7.860 -4.004 825 2HG GLN 98 2HG GLN 98 2.476 -9.444 -4.689 826 1HE2 GLN 98 2HE2 GLN 98 4.518 -9.778 -5.509 827 2HE2 GLN 98 1HE2 GLN 98 5.159 -8.882 -6.841 828 H SER 99 H SER 99 -1.395 -9.592 -4.936 829 HA SER 99 HA SER 99 -0.363 -12.130 -4.285 830 1HB SER 99 1HB SER 99 -2.138 -10.993 -2.972 831 2HB SER 99 2HB SER 99 -3.263 -11.223 -4.310 832 HG SER 99 HG SER 99 -1.948 -13.475 -3.303 833 H GLY 100 H GLY 100 -2.617 -11.045 -6.803 834 1HA GLY 100 1HA GLY 100 -3.257 -13.572 -7.855 835 2HA GLY 100 2HA GLY 100 -3.344 -12.051 -8.733 836 H ALA 101 H ALA 101 -0.509 -11.475 -8.335 837 HA ALA 101 HA ALA 101 0.595 -12.911 -10.541 838 1HB ALA 101 1HB ALA 101 1.176 -10.579 -10.083 839 2HB ALA 101 2HB ALA 101 2.614 -11.601 -10.117 840 3HB ALA 101 3HB ALA 101 1.948 -11.064 -8.573 841 H ASN 102 H ASN 102 1.467 -12.809 -7.083 842 HA ASN 102 HA ASN 102 3.417 -14.909 -7.407 843 1HB ASN 102 1HB ASN 102 2.415 -13.466 -4.941 844 2HB ASN 102 2HB ASN 102 3.701 -14.669 -4.921 845 1HD2 ASN 102 2HD2 ASN 102 5.696 -14.166 -5.859 846 2HD2 ASN 102 1HD2 ASN 102 6.158 -12.540 -6.216 847 H LEU 103 H LEU 103 0.497 -14.643 -5.367 848 HA LEU 103 HA LEU 103 -0.427 -17.246 -5.972 849 1HB LEU 103 1HB LEU 103 -0.163 -18.157 -3.602 850 2HB LEU 103 2HB LEU 103 1.252 -18.170 -4.630 851 HG LEU 103 HG LEU 103 1.794 -15.891 -3.393 852 1HD1 LEU 103 1HD1 LEU 103 -0.244 -15.717 -2.108 853 2HD1 LEU 103 2HD1 LEU 103 1.122 -15.962 -1.024 854 3HD1 LEU 103 3HD1 LEU 103 0.034 -17.303 -1.389 855 1HD2 LEU 103 1HD2 LEU 103 3.121 -17.140 -1.762 856 2HD2 LEU 103 2HD2 LEU 103 3.207 -17.878 -3.361 857 3HD2 LEU 103 3HD2 LEU 103 2.189 -18.597 -2.112 858 H VAL 104 H VAL 104 -2.568 -17.131 -5.780 859 HA VAL 104 HA VAL 104 -3.616 -14.794 -4.356 860 HB VAL 104 HB VAL 104 -4.091 -14.800 -6.720 861 1HG1 VAL 104 1HG1 VAL 104 -5.501 -17.440 -6.308 862 2HG1 VAL 104 2HG1 VAL 104 -3.976 -17.197 -7.160 863 3HG1 VAL 104 3HG1 VAL 104 -5.464 -16.505 -7.803 864 1HG2 VAL 104 1HG2 VAL 104 -6.591 -15.402 -5.133 865 2HG2 VAL 104 2HG2 VAL 104 -6.524 -14.544 -6.673 866 3HG2 VAL 104 3HG2 VAL 104 -5.778 -13.840 -5.237 867 H CYS 105 H CYS 105 -4.034 -15.393 -2.324 868 HA CYS 105 HA CYS 105 -6.189 -17.373 -1.962 869 1HB CYS 105 1HB CYS 105 -3.830 -16.942 -0.107 870 2HB CYS 105 2HB CYS 105 -5.187 -18.023 0.201 871 HG CYS 105 HG CYS 105 -4.002 -18.854 -2.702 872 H ASN 106 H ASN 106 -5.585 -14.266 -2.030 873 HA ASN 106 HA ASN 106 -6.567 -13.440 0.586 874 1HB ASN 106 1HB ASN 106 -6.091 -11.171 -0.168 875 2HB ASN 106 2HB ASN 106 -4.706 -12.206 -0.502 876 1HD2 ASN 106 2HD2 ASN 106 -5.794 -9.671 -1.735 877 2HD2 ASN 106 1HD2 ASN 106 -5.832 -10.015 -3.425 878 H THR 107 H THR 107 -8.028 -14.498 -2.149 879 HA THR 107 HA THR 107 -9.768 -12.546 -3.012 880 HB THR 107 HB THR 107 -11.275 -14.444 -3.711 881 HG1 THR 107 HG1 THR 107 -11.020 -16.129 -2.418 882 1HG2 THR 107 1HG2 THR 107 -8.331 -14.736 -4.348 883 2HG2 THR 107 2HG2 THR 107 -9.465 -13.659 -5.163 884 3HG2 THR 107 3HG2 THR 107 -9.659 -15.406 -5.295 885 H ARG 108 H ARG 108 -10.167 -14.736 -0.258 886 HA ARG 108 HA ARG 108 -12.868 -13.797 0.194 887 1HB ARG 108 1HB ARG 108 -11.166 -15.801 1.686 888 2HB ARG 108 2HB ARG 108 -12.794 -15.357 2.180 889 1HG ARG 108 1HG ARG 108 -13.664 -16.163 0.035 890 2HG ARG 108 2HG ARG 108 -12.029 -16.614 -0.454 891 1HD ARG 108 1HD ARG 108 -11.898 -18.199 1.393 892 2HD ARG 108 2HD ARG 108 -13.506 -17.722 1.938 893 HE ARG 108 HE ARG 108 -14.158 -18.526 -0.443 894 1HH1 ARG 108 1HH1 ARG 108 -11.733 -19.980 1.626 895 2HH1 ARG 108 2HH1 ARG 108 -11.991 -21.581 1.007 896 1HH2 ARG 108 1HH2 ARG 108 -14.488 -20.625 -1.264 897 2HH2 ARG 108 2HH2 ARG 108 -13.546 -21.946 -0.645 898 HA PRO 109 HA PRO 109 -10.567 -11.924 4.201 899 1HB PRO 109 1HB PRO 109 -8.054 -11.404 2.639 900 2HB PRO 109 2HB PRO 109 -8.261 -11.650 4.379 901 1HG PRO 109 1HG PRO 109 -7.325 -13.615 2.855 902 2HG PRO 109 2HG PRO 109 -8.480 -13.960 4.157 903 1HD PRO 109 1HD PRO 109 -8.921 -13.876 1.205 904 2HD PRO 109 2HD PRO 109 -9.685 -14.904 2.432 905 H PHE 110 H PHE 110 -9.540 -11.017 0.940 906 HA PHE 110 HA PHE 110 -9.852 -8.275 1.012 907 1HB PHE 110 1HB PHE 110 -8.928 -9.731 -0.874 908 2HB PHE 110 2HB PHE 110 -10.593 -10.033 -1.348 909 HD1 PHE 110 HD1 PHE 110 -11.971 -7.605 -1.395 910 HD2 PHE 110 HD2 PHE 110 -7.848 -8.259 -2.241 911 HE1 PHE 110 HE1 PHE 110 -11.930 -5.566 -2.781 912 HE2 PHE 110 HE2 PHE 110 -7.803 -6.227 -3.625 913 HZ PHE 110 HZ PHE 110 -9.844 -4.877 -3.897 914 H ASP 111 H ASP 111 -12.212 -10.645 -0.181 915 HA ASP 111 HA ASP 111 -14.377 -8.898 -0.479 916 1HB ASP 111 1HB ASP 111 -14.307 -11.082 -1.551 917 2HB ASP 111 2HB ASP 111 -14.307 -11.888 0.012 918 H ASN 112 H ASN 112 -13.129 -10.547 2.313 919 HA ASN 112 HA ASN 112 -15.442 -10.492 3.942 920 1HB ASN 112 1HB ASN 112 -13.285 -11.862 4.281 921 2HB ASN 112 2HB ASN 112 -12.599 -10.405 4.981 922 1HD2 ASN 112 2HD2 ASN 112 -15.266 -9.689 6.212 923 2HD2 ASN 112 1HD2 ASN 112 -15.416 -10.750 7.558 924 H GLU 113 H GLU 113 -12.611 -8.308 3.719 925 HA GLU 113 HA GLU 113 -13.926 -6.460 5.549 926 1HB GLU 113 1HB GLU 113 -11.420 -6.915 5.577 927 2HB GLU 113 2HB GLU 113 -11.321 -5.957 4.103 928 1HG GLU 113 1HG GLU 113 -12.207 -4.022 5.251 929 2HG GLU 113 2HG GLU 113 -12.455 -4.967 6.716 930 H GLU 114 H GLU 114 -13.798 -6.984 2.184 931 HA GLU 114 HA GLU 114 -14.352 -4.320 1.323 932 1HB GLU 114 1HB GLU 114 -13.585 -6.079 -0.241 933 2HB GLU 114 2HB GLU 114 -15.091 -6.955 0.009 934 1HG GLU 114 1HG GLU 114 -16.325 -5.013 -0.916 935 2HG GLU 114 2HG GLU 114 -14.782 -4.233 -1.252 936 H LYS 115 H LYS 115 -16.372 -7.145 2.054 937 HA LYS 115 HA LYS 115 -18.834 -5.641 1.911 938 1HB LYS 115 1HB LYS 115 -18.408 -8.392 3.107 939 2HB LYS 115 2HB LYS 115 -19.924 -7.698 2.549 940 1HG LYS 115 1HG LYS 115 -17.570 -8.480 0.831 941 2HG LYS 115 2HG LYS 115 -19.105 -9.338 0.964 942 1HD LYS 115 1HD LYS 115 -18.805 -6.507 -0.055 943 2HD LYS 115 2HD LYS 115 -18.899 -7.935 -1.085 944 1HE LYS 115 1HE LYS 115 -21.123 -8.436 -0.195 945 2HE LYS 115 2HE LYS 115 -21.028 -7.021 0.853 946 1HZ LYS 115 1HZ LYS 115 -20.896 -6.919 -2.109 947 2HZ LYS 115 2HZ LYS 115 -20.979 -5.599 -1.052 948 3HZ LYS 115 3HZ LYS 115 -22.301 -6.644 -1.208 949 H ASP 116 H ASP 116 -16.408 -6.258 4.203 950 HA ASP 116 HA ASP 116 -15.998 -5.427 6.263 951 1HB ASP 116 1HB ASP 116 -17.113 -3.361 5.601 952 2HB ASP 116 2HB ASP 116 -18.685 -4.059 5.973 953 H LYS 117 H LYS 117 -15.897 -7.135 7.519 954 HA LYS 117 HA LYS 117 -16.382 -8.582 9.177 955 1HB LYS 117 1HB LYS 117 -18.894 -6.925 9.524 956 2HB LYS 117 2HB LYS 117 -18.219 -8.041 10.704 957 1HG LYS 117 1HG LYS 117 -16.247 -6.643 10.948 958 2HG LYS 117 2HG LYS 117 -16.840 -5.551 9.696 959 1HD LYS 117 1HD LYS 117 -17.282 -4.602 11.880 960 2HD LYS 117 2HD LYS 117 -18.806 -5.042 11.108 961 1HE LYS 117 1HE LYS 117 -18.801 -7.153 12.414 962 2HE LYS 117 2HE LYS 117 -17.346 -6.600 13.244 963 1HZ LYS 117 1HZ LYS 117 -20.024 -5.329 13.307 964 2HZ LYS 117 2HZ LYS 117 -18.635 -4.652 13.995 965 3HZ LYS 117 3HZ LYS 117 -19.240 -6.115 14.584 Start of MODEL 9 1 1H SER 1 1H SER 1 3.640 16.287 -4.260 2 2H SER 1 2H SER 1 3.936 17.840 -4.860 3 3H SER 1 3H SER 1 5.227 16.847 -4.403 4 HA SER 1 HA SER 1 3.351 16.277 -6.614 5 1HB SER 1 1HB SER 1 6.217 17.286 -6.669 6 2HB SER 1 2HB SER 1 5.259 16.853 -8.087 7 HG SER 1 HG SER 1 4.205 18.682 -7.944 8 H MET 2 H MET 2 5.213 14.895 -8.159 9 HA MET 2 HA MET 2 5.355 12.403 -6.682 10 1HB MET 2 1HB MET 2 6.011 13.092 -9.557 11 2HB MET 2 2HB MET 2 6.142 11.473 -8.883 12 1HG MET 2 1HG MET 2 3.615 13.102 -9.075 13 2HG MET 2 2HG MET 2 4.072 11.766 -10.132 14 1HE MET 2 1HE MET 2 1.267 11.878 -8.630 15 2HE MET 2 2HE MET 2 1.135 10.220 -8.048 16 3HE MET 2 3HE MET 2 1.761 10.537 -9.666 17 H ASN 3 H ASN 3 7.464 14.973 -7.568 18 HA ASN 3 HA ASN 3 9.920 13.716 -7.843 19 1HB ASN 3 1HB ASN 3 9.517 16.131 -8.266 20 2HB ASN 3 2HB ASN 3 9.435 16.404 -6.527 21 1HD2 ASN 3 2HD2 ASN 3 11.648 14.280 -8.298 22 2HD2 ASN 3 1HD2 ASN 3 13.089 15.111 -7.831 23 H GLU 4 H GLU 4 8.172 14.558 -4.918 24 HA GLU 4 HA GLU 4 10.153 14.207 -2.998 25 1HB GLU 4 1HB GLU 4 7.173 13.702 -2.917 26 2HB GLU 4 2HB GLU 4 8.190 13.499 -1.498 27 1HG GLU 4 1HG GLU 4 7.039 15.676 -1.562 28 2HG GLU 4 2HG GLU 4 8.793 15.825 -1.520 29 H LEU 5 H LEU 5 8.280 11.846 -4.762 30 HA LEU 5 HA LEU 5 9.519 9.632 -3.278 31 1HB LEU 5 1HB LEU 5 7.073 9.637 -3.506 32 2HB LEU 5 2HB LEU 5 7.218 9.680 -5.248 33 HG LEU 5 HG LEU 5 8.479 7.372 -3.833 34 1HD1 LEU 5 1HD1 LEU 5 5.493 7.625 -4.240 35 2HD1 LEU 5 2HD1 LEU 5 6.330 7.565 -2.688 36 3HD1 LEU 5 3HD1 LEU 5 6.350 6.161 -3.753 37 1HD2 LEU 5 1HD2 LEU 5 7.651 6.172 -5.821 38 2HD2 LEU 5 2HD2 LEU 5 8.662 7.549 -6.255 39 3HD2 LEU 5 3HD2 LEU 5 6.908 7.662 -6.401 40 H GLU 6 H GLU 6 9.599 11.339 -6.232 41 HA GLU 6 HA GLU 6 10.779 9.297 -7.877 42 1HB GLU 6 1HB GLU 6 9.391 11.058 -8.843 43 2HB GLU 6 2HB GLU 6 10.477 12.290 -8.224 44 1HG GLU 6 1HG GLU 6 12.267 11.219 -9.695 45 2HG GLU 6 2HG GLU 6 10.939 10.353 -10.470 46 H ALA 7 H ALA 7 11.900 11.423 -5.504 47 HA ALA 7 HA ALA 7 14.173 12.597 -5.999 48 1HB ALA 7 1HB ALA 7 15.018 12.014 -3.802 49 2HB ALA 7 2HB ALA 7 13.934 10.625 -3.733 50 3HB ALA 7 3HB ALA 7 13.272 12.258 -3.747 51 H GLN 8 H GLN 8 14.382 9.072 -5.288 52 HA GLN 8 HA GLN 8 17.119 9.034 -6.242 53 1HB GLN 8 1HB GLN 8 15.346 6.764 -5.302 54 2HB GLN 8 2HB GLN 8 17.071 6.646 -5.617 55 1HG GLN 8 1HG GLN 8 15.814 8.411 -3.521 56 2HG GLN 8 2HG GLN 8 16.526 6.828 -3.219 57 1HE2 GLN 8 2HE2 GLN 8 18.724 7.226 -5.090 58 2HE2 GLN 8 1HE2 GLN 8 19.801 8.349 -4.343 59 H THR 9 H THR 9 17.881 7.977 -8.087 60 HA THR 9 HA THR 9 15.902 7.961 -10.228 61 HB THR 9 HB THR 9 18.923 7.848 -10.433 62 HG1 THR 9 HG1 THR 9 17.109 9.966 -10.099 63 1HG2 THR 9 1HG2 THR 9 17.803 7.058 -12.458 64 2HG2 THR 9 2HG2 THR 9 18.547 8.632 -12.742 65 3HG2 THR 9 3HG2 THR 9 16.805 8.512 -12.494 66 H ARG 10 H ARG 10 15.529 6.322 -11.612 67 HA ARG 10 HA ARG 10 15.382 4.263 -12.521 68 1HB ARG 10 1HB ARG 10 18.274 4.395 -11.738 69 2HB ARG 10 2HB ARG 10 17.627 2.921 -12.442 70 1HG ARG 10 1HG ARG 10 17.246 5.569 -13.805 71 2HG ARG 10 2HG ARG 10 18.741 4.649 -13.993 72 1HD ARG 10 1HD ARG 10 15.959 3.649 -14.626 73 2HD ARG 10 2HD ARG 10 17.166 4.170 -15.807 74 HE ARG 10 HE ARG 10 18.295 2.175 -14.193 75 1HH1 ARG 10 1HH1 ARG 10 15.822 2.496 -16.657 76 2HH1 ARG 10 2HH1 ARG 10 16.001 0.862 -17.216 77 1HH2 ARG 10 1HH2 ARG 10 18.525 0.043 -14.927 78 2HH2 ARG 10 2HH2 ARG 10 17.554 -0.522 -16.250 79 H VAL 11 H VAL 11 15.607 4.556 -9.241 80 HA VAL 11 HA VAL 11 14.892 1.718 -8.931 81 HB VAL 11 HB VAL 11 16.722 2.407 -7.436 82 1HG1 VAL 11 1HG1 VAL 11 14.750 4.363 -6.253 83 2HG1 VAL 11 2HG1 VAL 11 16.165 4.782 -7.221 84 3HG1 VAL 11 3HG1 VAL 11 16.370 4.021 -5.644 85 1HG2 VAL 11 1HG2 VAL 11 14.132 1.881 -5.969 86 2HG2 VAL 11 2HG2 VAL 11 15.752 1.621 -5.322 87 3HG2 VAL 11 3HG2 VAL 11 15.186 0.663 -6.691 88 H LYS 12 H LYS 12 13.958 5.032 -8.163 89 HA LYS 12 HA LYS 12 11.369 4.253 -7.147 90 1HB LYS 12 1HB LYS 12 12.425 6.994 -7.894 91 2HB LYS 12 2HB LYS 12 10.973 6.668 -6.961 92 1HG LYS 12 1HG LYS 12 13.685 5.780 -6.009 93 2HG LYS 12 2HG LYS 12 13.092 7.412 -5.716 94 1HD LYS 12 1HD LYS 12 12.446 6.350 -3.773 95 2HD LYS 12 2HD LYS 12 10.992 6.168 -4.750 96 1HE LYS 12 1HE LYS 12 11.399 4.071 -3.717 97 2HE LYS 12 2HE LYS 12 11.848 3.894 -5.411 98 1HZ LYS 12 1HZ LYS 12 14.162 4.153 -4.793 99 2HZ LYS 12 2HZ LYS 12 13.466 2.879 -3.928 100 3HZ LYS 12 3HZ LYS 12 13.740 4.367 -3.173 101 H LEU 13 H LEU 13 12.722 5.702 -10.051 102 HA LEU 13 HA LEU 13 10.418 6.510 -11.349 103 1HB LEU 13 1HB LEU 13 13.095 5.627 -12.410 104 2HB LEU 13 2HB LEU 13 11.815 6.162 -13.482 105 HG LEU 13 HG LEU 13 11.802 8.367 -12.369 106 1HD1 LEU 13 1HD1 LEU 13 14.146 7.304 -10.796 107 2HD1 LEU 13 2HD1 LEU 13 12.558 7.723 -10.153 108 3HD1 LEU 13 3HD1 LEU 13 13.595 8.980 -10.824 109 1HD2 LEU 13 1HD2 LEU 13 14.530 7.513 -13.346 110 2HD2 LEU 13 2HD2 LEU 13 13.927 9.169 -13.263 111 3HD2 LEU 13 3HD2 LEU 13 13.174 8.012 -14.359 112 H ASN 14 H ASN 14 11.989 3.318 -11.468 113 HA ASN 14 HA ASN 14 10.408 2.265 -13.560 114 1HB ASN 14 1HB ASN 14 12.496 1.204 -12.968 115 2HB ASN 14 2HB ASN 14 11.931 0.891 -11.332 116 1HD2 ASN 14 2HD2 ASN 14 11.621 -0.020 -14.695 117 2HD2 ASN 14 1HD2 ASN 14 10.882 -1.556 -14.407 118 H TYR 15 H TYR 15 10.177 1.778 -10.051 119 HA TYR 15 HA TYR 15 7.792 0.303 -10.036 120 1HB TYR 15 1HB TYR 15 9.392 0.508 -8.139 121 2HB TYR 15 2HB TYR 15 8.867 2.166 -7.903 122 HD1 TYR 15 HD2 TYR 15 6.429 2.571 -7.186 123 HD2 TYR 15 HD1 TYR 15 8.250 -1.280 -7.127 124 HE1 TYR 15 HE2 TYR 15 4.706 1.785 -5.618 125 HE2 TYR 15 HE1 TYR 15 6.545 -2.065 -5.550 126 HH TYR 15 HH TYR 15 3.698 -0.278 -4.863 127 H LEU 16 H LEU 16 8.412 3.780 -9.836 128 HA LEU 16 HA LEU 16 5.775 4.626 -9.331 129 1HB LEU 16 1HB LEU 16 8.021 5.938 -9.238 130 2HB LEU 16 2HB LEU 16 7.764 6.225 -10.946 131 HG LEU 16 HG LEU 16 5.840 7.081 -8.763 132 1HD1 LEU 16 1HD1 LEU 16 7.957 8.265 -8.554 133 2HD1 LEU 16 2HD1 LEU 16 6.690 9.344 -9.138 134 3HD1 LEU 16 3HD1 LEU 16 7.895 8.709 -10.260 135 1HD2 LEU 16 1HD2 LEU 16 4.732 6.788 -10.915 136 2HD2 LEU 16 2HD2 LEU 16 5.948 7.795 -11.700 137 3HD2 LEU 16 3HD2 LEU 16 4.851 8.500 -10.511 138 H ASP 17 H ASP 17 7.577 4.068 -12.309 139 HA ASP 17 HA ASP 17 5.714 4.969 -14.179 140 1HB ASP 17 1HB ASP 17 8.005 4.431 -14.805 141 2HB ASP 17 2HB ASP 17 7.761 2.740 -14.380 142 H GLN 18 H GLN 18 6.242 1.663 -12.959 143 HA GLN 18 HA GLN 18 4.064 0.502 -14.330 144 1HB GLN 18 1HB GLN 18 5.784 -0.946 -13.542 145 2HB GLN 18 2HB GLN 18 5.637 -0.354 -11.896 146 1HG GLN 18 1HG GLN 18 3.326 -1.760 -13.184 147 2HG GLN 18 2HG GLN 18 4.678 -2.689 -12.542 148 1HE2 GLN 18 2HE2 GLN 18 1.813 -2.408 -11.710 149 2HE2 GLN 18 1HE2 GLN 18 1.872 -1.987 -10.034 150 H ILE 19 H ILE 19 4.369 1.642 -10.990 151 HA ILE 19 HA ILE 19 1.812 0.778 -10.165 152 HB ILE 19 HB ILE 19 3.981 1.429 -8.802 153 1HG1 ILE 19 1HG1 ILE 19 1.884 0.422 -7.878 154 2HG1 ILE 19 2HG1 ILE 19 2.712 1.497 -6.762 155 1HG2 ILE 19 1HG2 ILE 19 4.020 3.774 -9.434 156 2HG2 ILE 19 2HG2 ILE 19 3.832 3.593 -7.690 157 3HG2 ILE 19 3HG2 ILE 19 2.441 4.018 -8.688 158 1HD1 ILE 19 1HD1 ILE 19 0.264 2.156 -8.376 159 2HD1 ILE 19 2HD1 ILE 19 1.096 3.256 -7.274 160 3HD1 ILE 19 3HD1 ILE 19 0.324 1.798 -6.651 161 H ALA 20 H ALA 20 2.967 3.730 -11.646 162 HA ALA 20 HA ALA 20 0.552 5.214 -11.212 163 1HB ALA 20 1HB ALA 20 2.673 6.362 -11.641 164 2HB ALA 20 2HB ALA 20 1.462 6.797 -12.846 165 3HB ALA 20 3HB ALA 20 2.741 5.652 -13.255 166 H LYS 21 H LYS 21 1.985 3.575 -14.019 167 HA LYS 21 HA LYS 21 0.011 4.134 -15.876 168 1HB LYS 21 1HB LYS 21 2.175 3.233 -16.516 169 2HB LYS 21 2HB LYS 21 1.847 1.734 -15.660 170 1HG LYS 21 1HG LYS 21 1.597 1.357 -18.010 171 2HG LYS 21 2HG LYS 21 0.007 1.269 -17.255 172 1HD LYS 21 1HD LYS 21 -0.447 3.584 -17.986 173 2HD LYS 21 2HD LYS 21 1.136 3.632 -18.768 174 1HE LYS 21 1HE LYS 21 -1.131 1.755 -19.452 175 2HE LYS 21 2HE LYS 21 -0.630 3.162 -20.389 176 1HZ LYS 21 1HZ LYS 21 1.514 2.102 -20.754 177 2HZ LYS 21 2HZ LYS 21 0.255 1.134 -21.328 178 3HZ LYS 21 3HZ LYS 21 1.021 0.745 -19.872 179 H PHE 22 H PHE 22 0.326 1.106 -13.989 180 HA PHE 22 HA PHE 22 -1.920 -0.173 -15.017 181 1HB PHE 22 1HB PHE 22 -0.336 -1.404 -13.672 182 2HB PHE 22 2HB PHE 22 -0.655 -0.388 -12.272 183 HD1 PHE 22 HD1 PHE 22 -2.128 -2.985 -14.477 184 HD2 PHE 22 HD2 PHE 22 -2.435 -0.876 -10.789 185 HE1 PHE 22 HE1 PHE 22 -3.857 -4.561 -13.717 186 HE2 PHE 22 HE2 PHE 22 -4.162 -2.445 -10.022 187 HZ PHE 22 HZ PHE 22 -4.876 -4.296 -11.490 188 H TRP 23 H TRP 23 -1.659 1.983 -12.236 189 HA TRP 23 HA TRP 23 -4.368 1.612 -11.427 190 1HB TRP 23 1HB TRP 23 -2.605 2.091 -9.803 191 2HB TRP 23 2HB TRP 23 -2.311 3.654 -10.557 192 HD1 TRP 23 HD1 TRP 23 -3.147 5.413 -8.937 193 HE1 TRP 23 HE1 TRP 23 -5.271 5.815 -7.559 194 HE3 TRP 23 HE3 TRP 23 -5.575 1.030 -9.917 195 HZ2 TRP 23 HZ2 TRP 23 -7.655 4.441 -6.935 196 HZ3 TRP 23 HZ3 TRP 23 -7.777 0.653 -8.890 197 HH2 TRP 23 HH2 TRP 23 -8.794 2.319 -7.427 198 H GLU 24 H GLU 24 -2.652 4.022 -13.380 199 HA GLU 24 HA GLU 24 -4.690 5.969 -13.455 200 1HB GLU 24 1HB GLU 24 -2.598 5.202 -15.516 201 2HB GLU 24 2HB GLU 24 -3.684 6.566 -15.725 202 1HG GLU 24 1HG GLU 24 -1.727 6.263 -13.454 203 2HG GLU 24 2HG GLU 24 -1.430 7.186 -14.924 204 H ILE 25 H ILE 25 -4.053 3.104 -15.415 205 HA ILE 25 HA ILE 25 -6.230 3.615 -17.223 206 HB ILE 25 HB ILE 25 -4.564 1.098 -16.971 207 1HG1 ILE 25 1HG1 ILE 25 -3.051 2.941 -17.319 208 2HG1 ILE 25 2HG1 ILE 25 -3.224 2.098 -18.853 209 1HG2 ILE 25 1HG2 ILE 25 -5.174 0.744 -19.330 210 2HG2 ILE 25 2HG2 ILE 25 -6.201 2.176 -19.272 211 3HG2 ILE 25 3HG2 ILE 25 -6.592 0.771 -18.282 212 1HD1 ILE 25 1HD1 ILE 25 -4.574 4.679 -18.075 213 2HD1 ILE 25 2HD1 ILE 25 -4.796 3.830 -19.606 214 3HD1 ILE 25 3HD1 ILE 25 -3.217 4.492 -19.185 215 H GLN 26 H GLN 26 -6.007 2.190 -14.147 216 HA GLN 26 HA GLN 26 -8.229 0.387 -14.394 217 1HB GLN 26 1HB GLN 26 -6.986 1.718 -11.978 218 2HB GLN 26 2HB GLN 26 -8.313 0.570 -11.872 219 1HG GLN 26 1HG GLN 26 -5.547 0.026 -12.935 220 2HG GLN 26 2HG GLN 26 -6.213 -0.521 -11.400 221 1HE2 GLN 26 2HE2 GLN 26 -6.169 -0.989 -14.836 222 2HE2 GLN 26 1HE2 GLN 26 -7.013 -2.498 -14.852 223 H GLY 27 H GLY 27 -8.243 3.515 -15.029 224 1HA GLY 27 1HA GLY 27 -10.021 4.971 -15.311 225 2HA GLY 27 2HA GLY 27 -11.051 3.838 -14.441 226 H SER 28 H SER 28 -8.000 5.112 -13.313 227 HA SER 28 HA SER 28 -9.287 6.898 -11.413 228 1HB SER 28 1HB SER 28 -7.596 4.533 -10.524 229 2HB SER 28 2HB SER 28 -8.228 5.800 -9.469 230 HG SER 28 HG SER 28 -10.342 5.013 -10.600 231 H SER 29 H SER 29 -7.170 7.493 -9.803 232 HA SER 29 HA SER 29 -4.902 8.035 -11.579 233 1HB SER 29 1HB SER 29 -4.868 10.415 -10.754 234 2HB SER 29 2HB SER 29 -6.240 10.024 -11.791 235 HG SER 29 HG SER 29 -7.287 9.544 -9.605 236 H LEU 30 H LEU 30 -2.954 7.993 -10.595 237 HA LEU 30 HA LEU 30 -2.816 6.994 -7.907 238 1HB LEU 30 1HB LEU 30 -1.276 6.201 -9.659 239 2HB LEU 30 2HB LEU 30 -0.604 7.815 -9.801 240 HG LEU 30 HG LEU 30 0.153 7.645 -7.414 241 1HD1 LEU 30 1HD1 LEU 30 -1.424 5.953 -6.650 242 2HD1 LEU 30 2HD1 LEU 30 0.239 5.442 -6.364 243 3HD1 LEU 30 3HD1 LEU 30 -0.675 4.758 -7.709 244 1HD2 LEU 30 1HD2 LEU 30 1.691 7.234 -9.262 245 2HD2 LEU 30 2HD2 LEU 30 1.214 5.535 -9.296 246 3HD2 LEU 30 3HD2 LEU 30 2.056 6.187 -7.890 247 H LYS 31 H LYS 31 -3.702 8.702 -6.709 248 HA LYS 31 HA LYS 31 -1.865 10.981 -6.339 249 1HB LYS 31 1HB LYS 31 -4.826 10.881 -5.693 250 2HB LYS 31 2HB LYS 31 -3.765 12.273 -5.514 251 1HG LYS 31 1HG LYS 31 -4.546 10.946 -8.110 252 2HG LYS 31 2HG LYS 31 -5.144 12.489 -7.498 253 1HD LYS 31 1HD LYS 31 -2.899 13.437 -7.643 254 2HD LYS 31 2HD LYS 31 -2.262 11.885 -8.191 255 1HE LYS 31 1HE LYS 31 -2.571 13.372 -10.085 256 2HE LYS 31 2HE LYS 31 -3.696 12.020 -10.190 257 1HZ LYS 31 1HZ LYS 31 -4.756 14.125 -10.728 258 2HZ LYS 31 2HZ LYS 31 -4.365 14.742 -9.202 259 3HZ LYS 31 3HZ LYS 31 -5.446 13.447 -9.340 260 H ILE 32 H ILE 32 -0.569 9.831 -4.910 261 HA ILE 32 HA ILE 32 -1.731 8.664 -2.526 262 HB ILE 32 HB ILE 32 0.665 8.172 -1.917 263 1HG1 ILE 32 1HG1 ILE 32 1.183 9.277 -4.699 264 2HG1 ILE 32 2HG1 ILE 32 1.773 9.954 -3.184 265 1HG2 ILE 32 1HG2 ILE 32 -0.318 7.148 -4.585 266 2HG2 ILE 32 2HG2 ILE 32 -0.752 6.512 -2.999 267 3HG2 ILE 32 3HG2 ILE 32 0.907 6.375 -3.578 268 1HD1 ILE 32 1HD1 ILE 32 2.537 7.286 -4.353 269 2HD1 ILE 32 2HD1 ILE 32 3.120 7.942 -2.822 270 3HD1 ILE 32 3HD1 ILE 32 3.523 8.747 -4.339 271 HA PRO 33 HA PRO 33 -1.360 12.579 -0.367 272 1HB PRO 33 1HB PRO 33 -2.315 11.064 1.969 273 2HB PRO 33 2HB PRO 33 -3.085 12.406 1.114 274 1HG PRO 33 1HG PRO 33 -4.042 9.889 0.977 275 2HG PRO 33 2HG PRO 33 -4.145 11.012 -0.394 276 1HD PRO 33 1HD PRO 33 -2.181 8.787 0.091 277 2HD PRO 33 2HD PRO 33 -3.044 9.223 -1.403 278 H ASN 34 H ASN 34 -0.604 13.094 2.015 279 HA ASN 34 HA ASN 34 1.715 11.449 2.726 280 1HB ASN 34 1HB ASN 34 3.078 13.489 3.039 281 2HB ASN 34 2HB ASN 34 2.609 13.245 1.366 282 1HD2 ASN 34 2HD2 ASN 34 3.470 15.676 2.587 283 2HD2 ASN 34 1HD2 ASN 34 2.174 16.811 2.434 284 H VAL 35 H VAL 35 2.307 11.460 4.813 285 HA VAL 35 HA VAL 35 0.549 12.883 6.695 286 HB VAL 35 HB VAL 35 -0.171 10.555 6.663 287 1HG1 VAL 35 1HG1 VAL 35 2.691 9.845 7.319 288 2HG1 VAL 35 2HG1 VAL 35 1.857 9.518 5.799 289 3HG1 VAL 35 3HG1 VAL 35 1.331 8.720 7.282 290 1HG2 VAL 35 1HG2 VAL 35 1.419 11.189 9.155 291 2HG2 VAL 35 2HG2 VAL 35 0.132 9.988 9.037 292 3HG2 VAL 35 3HG2 VAL 35 -0.235 11.698 8.813 293 H GLU 36 H GLU 36 1.579 13.786 8.462 294 HA GLU 36 HA GLU 36 3.293 14.834 9.522 295 1HB GLU 36 1HB GLU 36 4.778 12.263 8.908 296 2HB GLU 36 2HB GLU 36 5.346 13.520 9.998 297 1HG GLU 36 1HG GLU 36 2.889 11.805 10.332 298 2HG GLU 36 2HG GLU 36 4.375 11.725 11.277 299 H ARG 37 H ARG 37 2.869 14.926 6.638 300 HA ARG 37 HA ARG 37 3.609 16.077 4.856 301 1HB ARG 37 1HB ARG 37 6.026 16.683 6.568 302 2HB ARG 37 2HB ARG 37 5.831 17.277 4.927 303 1HG ARG 37 1HG ARG 37 5.083 19.074 6.146 304 2HG ARG 37 2HG ARG 37 3.568 18.230 5.825 305 1HD ARG 37 1HD ARG 37 3.650 18.940 8.143 306 2HD ARG 37 2HD ARG 37 3.711 17.179 8.056 307 HE ARG 37 HE ARG 37 6.293 18.463 8.160 308 1HH1 ARG 37 1HH1 ARG 37 3.679 17.130 10.080 309 2HH1 ARG 37 2HH1 ARG 37 4.688 16.825 11.457 310 1HH2 ARG 37 1HH2 ARG 37 7.608 18.062 9.953 311 2HH2 ARG 37 2HH2 ARG 37 6.929 17.364 11.393 312 H ARG 38 H ARG 38 4.863 13.272 5.971 313 HA ARG 38 HA ARG 38 6.859 12.889 3.885 314 1HB ARG 38 1HB ARG 38 6.772 11.891 6.368 315 2HB ARG 38 2HB ARG 38 5.853 10.622 5.574 316 1HG ARG 38 1HG ARG 38 8.628 11.503 4.789 317 2HG ARG 38 2HG ARG 38 8.258 10.101 5.792 318 1HD ARG 38 1HD ARG 38 7.447 10.516 2.910 319 2HD ARG 38 2HD ARG 38 8.727 9.453 3.489 320 HE ARG 38 HE ARG 38 5.900 9.033 4.221 321 1HH1 ARG 38 1HH1 ARG 38 8.957 7.832 2.987 322 2HH1 ARG 38 2HH1 ARG 38 8.371 6.207 2.775 323 1HH2 ARG 38 1HH2 ARG 38 5.143 6.849 3.929 324 2HH2 ARG 38 2HH2 ARG 38 6.246 5.655 3.305 325 H ILE 39 H ILE 39 6.344 12.171 1.919 326 HA ILE 39 HA ILE 39 3.662 11.607 1.179 327 HB ILE 39 HB ILE 39 5.170 12.603 -0.423 328 1HG1 ILE 39 1HG1 ILE 39 4.371 9.825 -1.334 329 2HG1 ILE 39 2HG1 ILE 39 3.299 11.220 -1.276 330 1HG2 ILE 39 1HG2 ILE 39 7.023 11.361 -1.447 331 2HG2 ILE 39 2HG2 ILE 39 6.731 10.019 -0.341 332 3HG2 ILE 39 3HG2 ILE 39 7.264 11.579 0.287 333 1HD1 ILE 39 1HD1 ILE 39 4.066 10.808 -3.531 334 2HD1 ILE 39 2HD1 ILE 39 5.745 10.934 -3.007 335 3HD1 ILE 39 3HD1 ILE 39 4.692 12.347 -2.940 336 H LEU 40 H LEU 40 2.587 9.732 0.947 337 HA LEU 40 HA LEU 40 3.591 7.479 2.376 338 1HB LEU 40 1HB LEU 40 1.210 8.124 2.377 339 2HB LEU 40 2HB LEU 40 1.106 7.728 0.672 340 HG LEU 40 HG LEU 40 1.591 5.360 1.197 341 1HD1 LEU 40 1HD1 LEU 40 1.483 6.271 4.074 342 2HD1 LEU 40 2HD1 LEU 40 2.899 5.655 3.221 343 3HD1 LEU 40 3HD1 LEU 40 1.525 4.595 3.528 344 1HD2 LEU 40 1HD2 LEU 40 -0.736 6.523 2.738 345 2HD2 LEU 40 2HD2 LEU 40 -0.565 4.840 2.238 346 3HD2 LEU 40 3HD2 LEU 40 -0.727 6.107 1.023 347 H ASP 41 H ASP 41 5.324 6.505 1.416 348 HA ASP 41 HA ASP 41 5.373 5.854 -1.377 349 1HB ASP 41 1HB ASP 41 7.512 4.949 -1.019 350 2HB ASP 41 2HB ASP 41 7.414 6.243 0.167 351 H LEU 42 H LEU 42 4.949 3.922 -2.353 352 HA LEU 42 HA LEU 42 3.312 2.061 -0.806 353 1HB LEU 42 1HB LEU 42 3.012 3.177 -3.298 354 2HB LEU 42 2HB LEU 42 3.638 1.593 -3.701 355 HG LEU 42 HG LEU 42 1.179 2.071 -1.994 356 1HD1 LEU 42 1HD1 LEU 42 0.798 2.807 -4.285 357 2HD1 LEU 42 2HD1 LEU 42 -0.109 1.338 -3.932 358 3HD1 LEU 42 3HD1 LEU 42 1.368 1.251 -4.893 359 1HD2 LEU 42 1HD2 LEU 42 2.270 -0.040 -1.482 360 2HD2 LEU 42 2HD2 LEU 42 2.305 -0.464 -3.194 361 3HD2 LEU 42 3HD2 LEU 42 0.763 -0.325 -2.349 362 H TYR 43 H TYR 43 6.458 2.341 -1.927 363 HA TYR 43 HA TYR 43 7.160 -0.240 -2.740 364 1HB TYR 43 1HB TYR 43 8.869 1.735 -1.201 365 2HB TYR 43 2HB TYR 43 9.464 0.371 -2.142 366 HD1 TYR 43 HD1 TYR 43 7.501 3.525 -2.487 367 HD2 TYR 43 HD2 TYR 43 10.047 0.687 -4.381 368 HE1 TYR 43 HE1 TYR 43 7.658 4.987 -4.450 369 HE2 TYR 43 HE2 TYR 43 10.209 2.147 -6.347 370 HH TYR 43 HH TYR 43 8.867 3.965 -7.415 371 H SER 44 H SER 44 7.578 1.231 0.472 372 HA SER 44 HA SER 44 8.385 -1.159 1.751 373 1HB SER 44 1HB SER 44 7.132 1.282 3.053 374 2HB SER 44 2HB SER 44 8.199 0.099 3.813 375 HG SER 44 HG SER 44 8.792 2.228 2.122 376 H LEU 45 H LEU 45 5.308 0.508 1.447 377 HA LEU 45 HA LEU 45 3.765 -1.031 3.171 378 1HB LEU 45 1HB LEU 45 3.112 1.128 2.074 379 2HB LEU 45 2HB LEU 45 2.882 0.259 0.573 380 HG LEU 45 HG LEU 45 0.790 0.832 1.906 381 1HD1 LEU 45 1HD1 LEU 45 0.776 -0.816 0.097 382 2HD1 LEU 45 2HD1 LEU 45 -0.332 -1.258 1.395 383 3HD1 LEU 45 3HD1 LEU 45 1.220 -2.079 1.245 384 1HD2 LEU 45 1HD2 LEU 45 1.645 0.281 4.125 385 2HD2 LEU 45 2HD2 LEU 45 1.784 -1.416 3.662 386 3HD2 LEU 45 3HD2 LEU 45 0.197 -0.652 3.751 387 H SER 46 H SER 46 4.369 -1.456 -0.315 388 HA SER 46 HA SER 46 2.731 -3.726 -0.608 389 1HB SER 46 1HB SER 46 4.029 -4.075 -2.747 390 2HB SER 46 2HB SER 46 3.313 -2.474 -2.570 391 HG SER 46 HG SER 46 5.232 -1.685 -2.739 392 H LYS 47 H LYS 47 6.289 -3.432 -0.137 393 HA LYS 47 HA LYS 47 6.693 -6.243 -0.307 394 1HB LYS 47 1HB LYS 47 8.932 -5.846 0.604 395 2HB LYS 47 2HB LYS 47 8.549 -4.715 -0.684 396 1HG LYS 47 1HG LYS 47 8.161 -2.950 0.913 397 2HG LYS 47 2HG LYS 47 8.373 -4.073 2.258 398 1HD LYS 47 1HD LYS 47 10.382 -2.692 1.859 399 2HD LYS 47 2HD LYS 47 10.700 -4.416 1.656 400 1HE LYS 47 1HE LYS 47 11.786 -3.133 -0.105 401 2HE LYS 47 2HE LYS 47 10.521 -4.154 -0.783 402 1HZ LYS 47 1HZ LYS 47 10.463 -1.957 -1.748 403 2HZ LYS 47 2HZ LYS 47 10.304 -1.246 -0.223 404 3HZ LYS 47 3HZ LYS 47 9.060 -2.215 -0.836 405 H ILE 48 H ILE 48 5.878 -4.105 2.356 406 HA ILE 48 HA ILE 48 6.346 -6.044 4.406 407 HB ILE 48 HB ILE 48 4.719 -3.499 4.402 408 1HG1 ILE 48 1HG1 ILE 48 7.381 -4.249 5.655 409 2HG1 ILE 48 2HG1 ILE 48 7.141 -3.189 4.272 410 1HG2 ILE 48 1HG2 ILE 48 4.549 -3.745 6.849 411 2HG2 ILE 48 2HG2 ILE 48 5.275 -5.348 6.731 412 3HG2 ILE 48 3HG2 ILE 48 3.702 -5.036 5.998 413 1HD1 ILE 48 1HD1 ILE 48 6.245 -2.656 7.093 414 2HD1 ILE 48 2HD1 ILE 48 5.951 -1.603 5.709 415 3HD1 ILE 48 3HD1 ILE 48 7.601 -1.901 6.256 416 H VAL 49 H VAL 49 3.381 -4.928 2.734 417 HA VAL 49 HA VAL 49 1.556 -6.561 4.060 418 HB VAL 49 HB VAL 49 1.520 -5.621 1.174 419 1HG1 VAL 49 1HG1 VAL 49 -0.724 -6.884 2.766 420 2HG1 VAL 49 2HG1 VAL 49 0.096 -7.599 1.377 421 3HG1 VAL 49 3HG1 VAL 49 -0.886 -6.149 1.170 422 1HG2 VAL 49 1HG2 VAL 49 1.458 -3.827 2.836 423 2HG2 VAL 49 2HG2 VAL 49 0.092 -4.600 3.637 424 3HG2 VAL 49 3HG2 VAL 49 -0.090 -3.961 2.003 425 H VAL 50 H VAL 50 3.444 -7.246 1.114 426 HA VAL 50 HA VAL 50 2.573 -9.892 0.738 427 HB VAL 50 HB VAL 50 5.243 -8.653 0.012 428 1HG1 VAL 50 1HG1 VAL 50 3.970 -11.205 -1.002 429 2HG1 VAL 50 2HG1 VAL 50 5.411 -11.088 0.009 430 3HG1 VAL 50 3HG1 VAL 50 5.440 -10.469 -1.642 431 1HG2 VAL 50 1HG2 VAL 50 3.350 -7.489 -1.001 432 2HG2 VAL 50 2HG2 VAL 50 2.727 -9.015 -1.629 433 3HG2 VAL 50 3HG2 VAL 50 4.261 -8.377 -2.223 434 H GLU 51 H GLU 51 5.230 -8.543 2.656 435 HA GLU 51 HA GLU 51 6.354 -10.998 3.497 436 1HB GLU 51 1HB GLU 51 7.407 -8.705 3.680 437 2HB GLU 51 2HB GLU 51 6.338 -8.390 5.039 438 1HG GLU 51 1HG GLU 51 8.517 -9.031 5.839 439 2HG GLU 51 2HG GLU 51 7.345 -10.285 6.247 440 H GLU 52 H GLU 52 3.639 -9.114 4.605 441 HA GLU 52 HA GLU 52 3.282 -10.538 7.076 442 1HB GLU 52 1HB GLU 52 1.475 -8.644 5.555 443 2HB GLU 52 2HB GLU 52 1.106 -9.288 7.145 444 1HG GLU 52 1HG GLU 52 3.518 -7.600 6.489 445 2HG GLU 52 2HG GLU 52 2.022 -6.991 7.189 446 H GLY 53 H GLY 53 2.005 -10.735 3.800 447 1HA GLY 53 1HA GLY 53 1.592 -12.974 2.961 448 2HA GLY 53 2HA GLY 53 0.902 -13.384 4.521 449 H GLY 54 H GLY 54 -0.387 -10.476 4.157 450 1HA GLY 54 1HA GLY 54 -2.089 -10.458 1.995 451 2HA GLY 54 2HA GLY 54 -2.891 -11.476 3.181 452 H TYR 55 H TYR 55 -3.327 -8.668 1.983 453 HA TYR 55 HA TYR 55 -3.190 -6.676 3.889 454 1HB TYR 55 1HB TYR 55 -3.984 -6.013 1.782 455 2HB TYR 55 2HB TYR 55 -5.183 -7.298 1.723 456 HD1 TYR 55 HD2 TYR 55 -4.381 -4.153 3.565 457 HD2 TYR 55 HD1 TYR 55 -7.412 -6.812 2.219 458 HE1 TYR 55 HE2 TYR 55 -6.103 -2.583 4.355 459 HE2 TYR 55 HE1 TYR 55 -9.140 -5.243 2.991 460 HH TYR 55 HH TYR 55 -9.386 -3.453 4.621 461 H GLU 56 H GLU 56 -5.717 -9.132 3.506 462 HA GLU 56 HA GLU 56 -7.507 -8.187 5.412 463 1HB GLU 56 1HB GLU 56 -7.951 -9.972 3.716 464 2HB GLU 56 2HB GLU 56 -7.013 -11.088 4.696 465 1HG GLU 56 1HG GLU 56 -9.372 -9.641 5.841 466 2HG GLU 56 2HG GLU 56 -9.588 -11.102 4.878 467 H ALA 57 H ALA 57 -4.865 -10.529 5.785 468 HA ALA 57 HA ALA 57 -5.298 -11.176 8.465 469 1HB ALA 57 1HB ALA 57 -3.795 -12.443 6.998 470 2HB ALA 57 2HB ALA 57 -2.979 -11.957 8.483 471 3HB ALA 57 3HB ALA 57 -2.665 -11.088 6.980 472 H ILE 58 H ILE 58 -3.231 -8.678 7.025 473 HA ILE 58 HA ILE 58 -2.146 -7.641 9.404 474 HB ILE 58 HB ILE 58 -2.797 -5.979 6.969 475 1HG1 ILE 58 1HG1 ILE 58 -0.342 -7.709 7.361 476 2HG1 ILE 58 2HG1 ILE 58 -1.687 -8.115 6.300 477 1HG2 ILE 58 1HG2 ILE 58 -1.957 -4.770 8.921 478 2HG2 ILE 58 2HG2 ILE 58 -0.800 -4.730 7.592 479 3HG2 ILE 58 3HG2 ILE 58 -0.535 -5.813 8.958 480 1HD1 ILE 58 1HD1 ILE 58 -1.241 -6.095 4.986 481 2HD1 ILE 58 2HD1 ILE 58 0.142 -7.188 5.036 482 3HD1 ILE 58 3HD1 ILE 58 0.132 -5.733 6.033 483 H CYS 59 H CYS 59 -5.069 -6.888 7.609 484 HA CYS 59 HA CYS 59 -5.744 -4.572 9.115 485 1HB CYS 59 1HB CYS 59 -6.460 -5.047 6.746 486 2HB CYS 59 2HB CYS 59 -7.575 -6.257 7.379 487 HG CYS 59 HG CYS 59 -9.504 -4.627 7.754 488 H LYS 60 H LYS 60 -6.624 -7.974 9.298 489 HA LYS 60 HA LYS 60 -8.736 -7.450 11.214 490 1HB LYS 60 1HB LYS 60 -8.679 -9.283 9.368 491 2HB LYS 60 2HB LYS 60 -7.687 -10.182 10.507 492 1HG LYS 60 1HG LYS 60 -9.948 -10.904 10.748 493 2HG LYS 60 2HG LYS 60 -9.515 -9.973 12.181 494 1HD LYS 60 1HD LYS 60 -11.661 -9.204 11.632 495 2HD LYS 60 2HD LYS 60 -10.591 -7.967 10.979 496 1HE LYS 60 1HE LYS 60 -11.854 -10.217 9.400 497 2HE LYS 60 2HE LYS 60 -12.414 -8.548 9.427 498 1HZ LYS 60 1HZ LYS 60 -9.785 -9.491 8.413 499 2HZ LYS 60 2HZ LYS 60 -10.296 -7.873 8.452 500 3HZ LYS 60 3HZ LYS 60 -11.096 -8.993 7.474 501 H ASP 61 H ASP 61 -5.381 -8.274 11.243 502 HA ASP 61 HA ASP 61 -5.486 -9.039 14.078 503 1HB ASP 61 1HB ASP 61 -4.157 -10.401 12.411 504 2HB ASP 61 2HB ASP 61 -3.071 -9.027 12.251 505 H ARG 62 H ARG 62 -5.100 -6.294 12.198 506 HA ARG 62 HA ARG 62 -4.617 -4.131 12.713 507 1HB ARG 62 1HB ARG 62 -5.677 -4.868 14.962 508 2HB ARG 62 2HB ARG 62 -4.027 -4.958 15.560 509 1HG ARG 62 1HG ARG 62 -3.739 -2.559 14.934 510 2HG ARG 62 2HG ARG 62 -5.453 -2.514 14.520 511 1HD ARG 62 1HD ARG 62 -4.208 -2.986 17.223 512 2HD ARG 62 2HD ARG 62 -5.250 -1.652 16.729 513 HE ARG 62 HE ARG 62 -6.119 -4.443 17.146 514 1HH1 ARG 62 1HH1 ARG 62 -6.852 -1.017 17.007 515 2HH1 ARG 62 2HH1 ARG 62 -8.493 -1.227 17.526 516 1HH2 ARG 62 1HH2 ARG 62 -8.268 -4.708 17.843 517 2HH2 ARG 62 2HH2 ARG 62 -9.296 -3.315 17.997 518 H ARG 63 H ARG 63 -2.628 -5.902 11.723 519 HA ARG 63 HA ARG 63 -0.166 -5.514 13.162 520 1HB ARG 63 1HB ARG 63 -0.695 -6.596 10.379 521 2HB ARG 63 2HB ARG 63 0.870 -6.627 11.183 522 1HG ARG 63 1HG ARG 63 0.148 -8.185 12.780 523 2HG ARG 63 2HG ARG 63 -1.554 -7.894 12.423 524 1HD ARG 63 1HD ARG 63 -0.957 -10.019 11.508 525 2HD ARG 63 2HD ARG 63 -1.192 -8.898 10.171 526 HE ARG 63 HE ARG 63 1.458 -8.753 10.515 527 1HH1 ARG 63 1HH1 ARG 63 -0.695 -11.517 10.318 528 2HH1 ARG 63 2HH1 ARG 63 0.498 -12.558 9.614 529 1HH2 ARG 63 1HH2 ARG 63 3.043 -10.142 9.612 530 2HH2 ARG 63 2HH2 ARG 63 2.627 -11.787 9.234 531 H TRP 64 H TRP 64 -1.987 -3.555 11.133 532 HA TRP 64 HA TRP 64 -0.094 -2.157 9.634 533 1HB TRP 64 1HB TRP 64 -2.606 -1.098 10.959 534 2HB TRP 64 2HB TRP 64 -1.672 -0.226 9.750 535 HD1 TRP 64 HD1 TRP 64 -4.694 -2.136 9.953 536 HE1 TRP 64 HE1 TRP 64 -5.352 -3.156 7.689 537 HE3 TRP 64 HE3 TRP 64 -0.228 -1.627 7.473 538 HZ2 TRP 64 HZ2 TRP 64 -4.154 -3.679 5.213 539 HZ3 TRP 64 HZ3 TRP 64 -0.085 -2.416 5.152 540 HH2 TRP 64 HH2 TRP 64 -2.012 -3.427 4.043 541 H ALA 65 H ALA 65 -0.664 -2.192 13.028 542 HA ALA 65 HA ALA 65 0.363 0.269 13.831 543 1HB ALA 65 1HB ALA 65 0.577 -2.408 15.216 544 2HB ALA 65 2HB ALA 65 -0.759 -1.268 15.357 545 3HB ALA 65 3HB ALA 65 0.836 -0.840 15.976 546 H ARG 66 H ARG 66 2.093 -2.854 13.696 547 HA ARG 66 HA ARG 66 4.641 -1.668 14.100 548 1HB ARG 66 1HB ARG 66 5.540 -3.917 13.538 549 2HB ARG 66 2HB ARG 66 4.291 -3.949 14.770 550 1HG ARG 66 1HG ARG 66 3.653 -5.736 13.503 551 2HG ARG 66 2HG ARG 66 2.719 -4.462 12.722 552 1HD ARG 66 1HD ARG 66 3.801 -5.914 11.079 553 2HD ARG 66 2HD ARG 66 4.425 -4.266 10.982 554 HE ARG 66 HE ARG 66 6.344 -5.131 12.367 555 1HH1 ARG 66 1HH1 ARG 66 4.514 -7.248 10.251 556 2HH1 ARG 66 2HH1 ARG 66 5.830 -8.354 10.023 557 1HH2 ARG 66 1HH2 ARG 66 8.053 -6.593 12.098 558 2HH2 ARG 66 2HH2 ARG 66 7.854 -7.973 11.063 559 H VAL 67 H VAL 67 2.737 -2.364 11.261 560 HA VAL 67 HA VAL 67 4.753 -2.109 9.304 561 HB VAL 67 HB VAL 67 1.815 -1.380 9.100 562 1HG1 VAL 67 1HG1 VAL 67 3.844 -1.856 6.908 563 2HG1 VAL 67 2HG1 VAL 67 3.098 -0.312 7.321 564 3HG1 VAL 67 3HG1 VAL 67 2.113 -1.619 6.669 565 1HG2 VAL 67 1HG2 VAL 67 2.164 -3.721 9.707 566 2HG2 VAL 67 2HG2 VAL 67 3.267 -3.924 8.347 567 3HG2 VAL 67 3HG2 VAL 67 1.560 -3.591 8.055 568 H ALA 68 H ALA 68 2.455 0.327 10.543 569 HA ALA 68 HA ALA 68 3.501 2.520 9.147 570 1HB ALA 68 1HB ALA 68 2.067 2.524 11.809 571 2HB ALA 68 2HB ALA 68 1.293 2.530 10.224 572 3HB ALA 68 3HB ALA 68 2.269 3.907 10.733 573 H GLN 69 H GLN 69 4.284 1.171 12.321 574 HA GLN 69 HA GLN 69 6.144 3.159 13.079 575 1HB GLN 69 1HB GLN 69 5.171 1.565 14.676 576 2HB GLN 69 2HB GLN 69 6.016 0.241 13.887 577 1HG GLN 69 1HG GLN 69 8.137 1.062 14.598 578 2HG GLN 69 2HG GLN 69 7.429 2.575 15.161 579 1HE2 GLN 69 2HE2 GLN 69 9.022 0.583 16.608 580 2HE2 GLN 69 1HE2 GLN 69 8.052 0.100 17.957 581 H ARG 70 H ARG 70 6.434 0.214 11.170 582 HA ARG 70 HA ARG 70 9.255 0.201 10.932 583 1HB ARG 70 1HB ARG 70 7.574 -1.674 10.364 584 2HB ARG 70 2HB ARG 70 7.341 -0.848 8.833 585 1HG ARG 70 1HG ARG 70 10.046 -1.759 9.797 586 2HG ARG 70 2HG ARG 70 8.972 -2.789 8.854 587 1HD ARG 70 1HD ARG 70 9.105 -1.360 6.969 588 2HD ARG 70 2HD ARG 70 9.844 -0.065 7.907 589 HE ARG 70 HE ARG 70 11.167 -2.550 7.044 590 1HH1 ARG 70 1HH1 ARG 70 11.337 0.674 8.405 591 2HH1 ARG 70 2HH1 ARG 70 13.061 0.784 8.271 592 1HH2 ARG 70 1HH2 ARG 70 13.429 -2.405 6.828 593 2HH2 ARG 70 2HH2 ARG 70 14.257 -0.969 7.351 594 H LEU 71 H LEU 71 6.670 1.790 9.155 595 HA LEU 71 HA LEU 71 8.360 2.870 7.107 596 1HB LEU 71 1HB LEU 71 5.509 3.244 7.918 597 2HB LEU 71 2HB LEU 71 6.243 4.463 6.895 598 HG LEU 71 HG LEU 71 6.767 2.727 5.212 599 1HD1 LEU 71 1HD1 LEU 71 5.789 0.504 5.386 600 2HD1 LEU 71 2HD1 LEU 71 5.207 0.876 7.010 601 3HD1 LEU 71 3HD1 LEU 71 6.940 0.797 6.690 602 1HD2 LEU 71 1HD2 LEU 71 4.476 2.377 4.429 603 2HD2 LEU 71 2HD2 LEU 71 4.709 4.021 5.024 604 3HD2 LEU 71 3HD2 LEU 71 3.859 2.837 6.018 605 H ASN 72 H ASN 72 8.553 3.485 10.234 606 HA ASN 72 HA ASN 72 9.798 5.031 11.340 607 1HB ASN 72 1HB ASN 72 10.020 6.300 8.601 608 2HB ASN 72 2HB ASN 72 10.762 7.000 10.032 609 1HD2 ASN 72 2HD2 ASN 72 10.550 3.538 9.422 610 2HD2 ASN 72 1HD2 ASN 72 12.246 3.302 9.207 611 H TYR 73 H TYR 73 6.876 5.166 11.073 612 HA TYR 73 HA TYR 73 6.361 8.030 11.334 613 1HB TYR 73 1HB TYR 73 4.505 5.636 11.348 614 2HB TYR 73 2HB TYR 73 3.961 7.295 11.604 615 HD1 TYR 73 HD2 TYR 73 5.475 8.836 9.696 616 HD2 TYR 73 HD1 TYR 73 3.745 4.973 9.228 617 HE1 TYR 73 HE2 TYR 73 5.375 9.184 7.269 618 HE2 TYR 73 HE1 TYR 73 3.646 5.311 6.794 619 HH TYR 73 HH TYR 73 5.326 7.785 5.239 620 HA PRO 74 HA PRO 74 6.663 8.262 15.675 621 1HB PRO 74 1HB PRO 74 4.606 9.931 16.355 622 2HB PRO 74 2HB PRO 74 6.076 10.482 15.544 623 1HG PRO 74 1HG PRO 74 3.400 9.820 14.363 624 2HG PRO 74 2HG PRO 74 4.456 11.206 14.026 625 1HD PRO 74 1HD PRO 74 4.353 9.076 12.386 626 2HD PRO 74 2HD PRO 74 5.868 9.959 12.669 627 HA PRO 75 HA PRO 75 4.199 5.258 17.819 628 1HB PRO 75 1HB PRO 75 4.313 7.157 20.125 629 2HB PRO 75 2HB PRO 75 4.744 5.444 20.054 630 1HG PRO 75 1HG PRO 75 6.647 7.297 20.104 631 2HG PRO 75 2HG PRO 75 6.808 5.867 19.063 632 1HD PRO 75 1HD PRO 75 6.066 8.677 18.327 633 2HD PRO 75 2HD PRO 75 7.086 7.513 17.455 634 H GLY 76 H GLY 76 2.173 5.029 19.094 635 1HA GLY 76 1HA GLY 76 0.040 5.973 19.751 636 2HA GLY 76 2HA GLY 76 0.235 7.177 18.482 637 H LYS 77 H LYS 77 1.214 5.261 16.539 638 HA LYS 77 HA LYS 77 0.555 3.788 14.954 639 1HB LYS 77 1HB LYS 77 -1.084 2.778 17.261 640 2HB LYS 77 2HB LYS 77 -1.256 2.069 15.665 641 1HG LYS 77 1HG LYS 77 0.251 0.717 16.895 642 2HG LYS 77 2HG LYS 77 1.190 1.585 15.683 643 1HD LYS 77 1HD LYS 77 1.940 3.172 17.389 644 2HD LYS 77 2HD LYS 77 0.961 2.341 18.603 645 1HE LYS 77 1HE LYS 77 2.282 0.274 18.169 646 2HE LYS 77 2HE LYS 77 3.314 1.206 17.084 647 1HZ LYS 77 1HZ LYS 77 3.992 2.581 18.912 648 2HZ LYS 77 2HZ LYS 77 4.228 0.960 19.335 649 3HZ LYS 77 3HZ LYS 77 2.911 1.809 19.959 650 H ASN 78 H ASN 78 -1.369 6.219 15.991 651 HA ASN 78 HA ASN 78 -3.886 5.704 14.905 652 1HB ASN 78 1HB ASN 78 -3.419 7.617 16.384 653 2HB ASN 78 2HB ASN 78 -2.445 8.363 15.121 654 1HD2 ASN 78 2HD2 ASN 78 -5.669 7.506 16.128 655 2HD2 ASN 78 1HD2 ASN 78 -6.501 8.546 15.023 656 H ILE 79 H ILE 79 -0.895 6.632 13.392 657 HA ILE 79 HA ILE 79 -1.823 7.589 10.930 658 HB ILE 79 HB ILE 79 0.746 6.084 11.522 659 1HG1 ILE 79 1HG1 ILE 79 1.728 8.444 11.308 660 2HG1 ILE 79 2HG1 ILE 79 0.078 9.039 11.427 661 1HG2 ILE 79 1HG2 ILE 79 0.247 5.944 9.151 662 2HG2 ILE 79 2HG2 ILE 79 1.599 7.045 9.417 663 3HG2 ILE 79 3HG2 ILE 79 -0.009 7.687 9.074 664 1HD1 ILE 79 1HD1 ILE 79 -0.122 8.031 13.642 665 2HD1 ILE 79 2HD1 ILE 79 1.233 9.157 13.558 666 3HD1 ILE 79 3HD1 ILE 79 1.526 7.419 13.511 667 H GLY 80 H GLY 80 -1.566 4.358 12.196 668 1HA GLY 80 1HA GLY 80 -1.652 2.847 9.839 669 2HA GLY 80 2HA GLY 80 -2.264 2.327 11.403 670 H SER 81 H SER 81 -4.188 4.500 11.612 671 HA SER 81 HA SER 81 -6.411 3.345 10.294 672 1HB SER 81 1HB SER 81 -6.242 6.153 11.426 673 2HB SER 81 2HB SER 81 -7.685 5.153 11.249 674 HG SER 81 HG SER 81 -5.670 5.065 13.163 675 H LEU 82 H LEU 82 -4.554 6.299 9.750 676 HA LEU 82 HA LEU 82 -5.862 7.279 7.485 677 1HB LEU 82 1HB LEU 82 -4.276 8.586 8.791 678 2HB LEU 82 2HB LEU 82 -2.973 7.495 8.376 679 HG LEU 82 HG LEU 82 -4.359 8.968 6.161 680 1HD1 LEU 82 1HD1 LEU 82 -2.257 10.183 7.963 681 2HD1 LEU 82 2HD1 LEU 82 -3.940 10.698 7.839 682 3HD1 LEU 82 3HD1 LEU 82 -2.859 10.881 6.458 683 1HD2 LEU 82 1HD2 LEU 82 -2.102 8.922 5.184 684 2HD2 LEU 82 2HD2 LEU 82 -2.660 7.303 5.601 685 3HD2 LEU 82 3HD2 LEU 82 -1.491 8.124 6.636 686 H LEU 83 H LEU 83 -3.126 5.077 7.808 687 HA LEU 83 HA LEU 83 -2.577 4.673 5.093 688 1HB LEU 83 1HB LEU 83 -1.030 4.010 6.842 689 2HB LEU 83 2HB LEU 83 -2.186 2.856 7.476 690 HG LEU 83 HG LEU 83 -1.974 1.512 5.415 691 1HD1 LEU 83 1HD1 LEU 83 0.150 3.519 4.647 692 2HD1 LEU 83 2HD1 LEU 83 -1.404 3.286 3.845 693 3HD1 LEU 83 3HD1 LEU 83 -0.194 2.005 3.806 694 1HD2 LEU 83 1HD2 LEU 83 0.658 2.123 6.770 695 2HD2 LEU 83 2HD2 LEU 83 0.292 0.674 5.833 696 3HD2 LEU 83 3HD2 LEU 83 -0.570 0.989 7.339 697 H ARG 84 H ARG 84 -4.641 2.822 7.324 698 HA ARG 84 HA ARG 84 -5.417 0.810 5.545 699 1HB ARG 84 1HB ARG 84 -5.907 1.355 8.186 700 2HB ARG 84 2HB ARG 84 -7.485 1.668 7.484 701 1HG ARG 84 1HG ARG 84 -5.917 -0.903 7.299 702 2HG ARG 84 2HG ARG 84 -7.343 -0.612 8.290 703 1HD ARG 84 1HD ARG 84 -7.287 -0.492 5.272 704 2HD ARG 84 2HD ARG 84 -7.810 -1.889 6.208 705 HE ARG 84 HE ARG 84 -9.190 0.724 6.124 706 1HH1 ARG 84 1HH1 ARG 84 -9.236 -2.738 6.674 707 2HH1 ARG 84 2HH1 ARG 84 -10.961 -2.817 6.820 708 1HH2 ARG 84 1HH2 ARG 84 -11.458 0.614 6.312 709 2HH2 ARG 84 2HH2 ARG 84 -12.223 -0.914 6.631 710 H SER 85 H SER 85 -7.025 3.886 6.339 711 HA SER 85 HA SER 85 -9.271 3.551 4.707 712 1HB SER 85 1HB SER 85 -7.899 6.123 5.544 713 2HB SER 85 2HB SER 85 -9.543 5.998 4.912 714 HG SER 85 HG SER 85 -9.623 4.334 6.806 715 H HIS 86 H HIS 86 -6.144 5.124 4.006 716 HA HIS 86 HA HIS 86 -6.849 5.843 1.338 717 1HB HIS 86 1HB HIS 86 -4.125 5.501 2.624 718 2HB HIS 86 2HB HIS 86 -4.385 6.166 1.017 719 HD1 HIS 86 HD1 HIS 86 -7.074 7.697 2.463 720 HD2 HIS 86 HD2 HIS 86 -2.994 8.107 3.158 721 HE1 HIS 86 HE1 HIS 86 -6.787 9.965 3.500 722 HE2 HIS 86 HE2 HIS 86 -4.328 10.159 3.992 723 H TYR 87 H TYR 87 -5.494 2.972 2.798 724 HA TYR 87 HA TYR 87 -4.555 1.675 0.490 725 1HB TYR 87 1HB TYR 87 -4.172 0.950 2.892 726 2HB TYR 87 2HB TYR 87 -5.817 0.328 2.903 727 HD1 TYR 87 HD2 TYR 87 -6.369 -1.395 0.969 728 HD2 TYR 87 HD1 TYR 87 -2.432 -0.489 2.315 729 HE1 TYR 87 HE2 TYR 87 -5.567 -3.516 0.032 730 HE2 TYR 87 HE1 TYR 87 -1.621 -2.613 1.374 731 HH TYR 87 HH TYR 87 -2.566 -4.852 0.741 732 H GLU 88 H GLU 88 -7.706 1.650 2.087 733 HA GLU 88 HA GLU 88 -9.051 -0.258 0.644 734 1HB GLU 88 1HB GLU 88 -10.105 2.353 1.752 735 2HB GLU 88 2HB GLU 88 -11.125 1.032 1.198 736 1HG GLU 88 1HG GLU 88 -10.241 -0.422 2.919 737 2HG GLU 88 2HG GLU 88 -9.121 0.838 3.441 738 H ARG 89 H ARG 89 -8.526 3.135 -0.267 739 HA ARG 89 HA ARG 89 -10.286 2.817 -2.569 740 1HB ARG 89 1HB ARG 89 -10.410 4.867 -1.197 741 2HB ARG 89 2HB ARG 89 -8.752 5.254 -1.637 742 1HG ARG 89 1HG ARG 89 -10.422 6.530 -2.935 743 2HG ARG 89 2HG ARG 89 -9.376 5.537 -3.953 744 1HD ARG 89 1HD ARG 89 -11.745 5.439 -4.649 745 2HD ARG 89 2HD ARG 89 -11.117 3.862 -4.175 746 HE ARG 89 HE ARG 89 -12.710 5.498 -2.306 747 1HH1 ARG 89 1HH1 ARG 89 -12.203 2.495 -4.046 748 2HH1 ARG 89 2HH1 ARG 89 -13.476 1.657 -3.214 749 1HH2 ARG 89 1HH2 ARG 89 -14.371 4.383 -1.207 750 2HH2 ARG 89 2HH2 ARG 89 -14.685 2.715 -1.592 751 H ILE 90 H ILE 90 -6.833 3.200 -1.918 752 HA ILE 90 HA ILE 90 -6.335 3.452 -4.810 753 HB ILE 90 HB ILE 90 -4.471 4.000 -2.488 754 1HG1 ILE 90 1HG1 ILE 90 -6.304 5.636 -2.646 755 2HG1 ILE 90 2HG1 ILE 90 -4.764 6.373 -3.074 756 1HG2 ILE 90 1HG2 ILE 90 -3.219 3.290 -4.445 757 2HG2 ILE 90 2HG2 ILE 90 -2.989 5.018 -4.176 758 3HG2 ILE 90 3HG2 ILE 90 -4.075 4.461 -5.450 759 1HD1 ILE 90 1HD1 ILE 90 -6.898 5.462 -4.996 760 2HD1 ILE 90 2HD1 ILE 90 -5.345 6.166 -5.448 761 3HD1 ILE 90 3HD1 ILE 90 -6.521 7.127 -4.552 762 H VAL 91 H VAL 91 -5.210 1.584 -1.974 763 HA VAL 91 HA VAL 91 -3.401 0.110 -3.744 764 HB VAL 91 HB VAL 91 -3.510 -0.030 -0.727 765 1HG1 VAL 91 1HG1 VAL 91 -1.194 -0.826 -0.939 766 2HG1 VAL 91 2HG1 VAL 91 -1.333 -0.753 -2.696 767 3HG1 VAL 91 3HG1 VAL 91 -2.329 -1.883 -1.779 768 1HG2 VAL 91 1HG2 VAL 91 -1.667 1.597 -0.708 769 2HG2 VAL 91 2HG2 VAL 91 -3.137 2.290 -1.391 770 3HG2 VAL 91 3HG2 VAL 91 -1.822 1.791 -2.455 771 H TYR 92 H TYR 92 -6.440 -0.357 -2.214 772 HA TYR 92 HA TYR 92 -6.267 -3.086 -1.573 773 1HB TYR 92 1HB TYR 92 -8.158 -1.343 -1.039 774 2HB TYR 92 2HB TYR 92 -8.866 -1.926 -2.541 775 HD1 TYR 92 HD2 TYR 92 -7.322 -4.770 -1.530 776 HD2 TYR 92 HD1 TYR 92 -10.480 -2.235 -0.211 777 HE1 TYR 92 HE2 TYR 92 -8.322 -6.650 -0.310 778 HE2 TYR 92 HE1 TYR 92 -11.484 -4.111 1.009 779 HH TYR 92 HH TYR 92 -11.477 -6.560 0.964 780 HA PRO 93 HA PRO 93 -7.694 -3.885 -6.245 781 1HB PRO 93 1HB PRO 93 -6.232 -1.530 -7.368 782 2HB PRO 93 2HB PRO 93 -7.717 -2.306 -7.933 783 1HG PRO 93 1HG PRO 93 -7.834 0.022 -6.658 784 2HG PRO 93 2HG PRO 93 -9.038 -1.242 -6.335 785 1HD PRO 93 1HD PRO 93 -6.663 -0.420 -4.698 786 2HD PRO 93 2HD PRO 93 -8.295 -0.877 -4.166 787 H TYR 94 H TYR 94 -4.742 -2.332 -5.126 788 HA TYR 94 HA TYR 94 -3.011 -3.906 -6.791 789 1HB TYR 94 1HB TYR 94 -2.620 -1.786 -4.737 790 2HB TYR 94 2HB TYR 94 -1.276 -2.890 -5.019 791 HD1 TYR 94 HD2 TYR 94 -3.466 -0.357 -6.626 792 HD2 TYR 94 HD1 TYR 94 0.011 -2.795 -7.019 793 HE1 TYR 94 HE2 TYR 94 -2.816 0.893 -8.632 794 HE2 TYR 94 HE1 TYR 94 0.661 -1.545 -9.032 795 HH TYR 94 HH TYR 94 -0.754 1.384 -9.912 796 H GLU 95 H GLU 95 -4.433 -4.301 -3.639 797 HA GLU 95 HA GLU 95 -2.814 -6.371 -2.663 798 1HB GLU 95 1HB GLU 95 -4.588 -5.487 -1.279 799 2HB GLU 95 2HB GLU 95 -5.808 -5.938 -2.459 800 1HG GLU 95 1HG GLU 95 -5.931 -7.462 -0.634 801 2HG GLU 95 2HG GLU 95 -5.285 -8.324 -2.024 802 H MET 96 H MET 96 -5.731 -6.546 -4.696 803 HA MET 96 HA MET 96 -5.606 -9.210 -5.460 804 1HB MET 96 1HB MET 96 -6.640 -6.735 -6.814 805 2HB MET 96 2HB MET 96 -6.601 -8.247 -7.705 806 1HG MET 96 1HG MET 96 -8.030 -7.823 -5.087 807 2HG MET 96 2HG MET 96 -8.784 -7.789 -6.682 808 1HE MET 96 1HE MET 96 -10.517 -9.656 -6.438 809 2HE MET 96 2HE MET 96 -10.149 -9.658 -4.713 810 3HE MET 96 3HE MET 96 -10.221 -11.179 -5.601 811 H TYR 97 H TYR 97 -4.248 -6.405 -7.178 812 HA TYR 97 HA TYR 97 -3.001 -7.751 -9.251 813 1HB TYR 97 1HB TYR 97 -3.281 -5.330 -9.219 814 2HB TYR 97 2HB TYR 97 -2.171 -5.188 -7.863 815 HD1 TYR 97 HD2 TYR 97 -2.348 -6.186 -11.452 816 HD2 TYR 97 HD1 TYR 97 0.133 -4.901 -8.241 817 HE1 TYR 97 HE2 TYR 97 -0.478 -5.886 -13.020 818 HE2 TYR 97 HE1 TYR 97 2.004 -4.593 -9.801 819 HH TYR 97 HH TYR 97 2.710 -5.478 -12.029 820 H GLN 98 H GLN 98 -1.221 -6.443 -6.433 821 HA GLN 98 HA GLN 98 1.133 -7.886 -7.102 822 1HB GLN 98 1HB GLN 98 0.390 -6.393 -4.571 823 2HB GLN 98 2HB GLN 98 1.995 -7.020 -4.926 824 1HG GLN 98 1HG GLN 98 2.156 -5.554 -6.866 825 2HG GLN 98 2HG GLN 98 0.533 -4.944 -6.554 826 1HE2 GLN 98 2HE2 GLN 98 3.112 -3.540 -6.668 827 2HE2 GLN 98 1HE2 GLN 98 3.280 -2.735 -5.149 828 H SER 99 H SER 99 -1.131 -8.217 -4.327 829 HA SER 99 HA SER 99 0.320 -10.469 -3.324 830 1HB SER 99 1HB SER 99 -2.413 -9.432 -2.522 831 2HB SER 99 2HB SER 99 -1.438 -10.590 -1.614 832 HG SER 99 HG SER 99 -1.370 -8.165 -1.123 833 H GLY 100 H GLY 100 -2.587 -10.028 -5.288 834 1HA GLY 100 1HA GLY 100 -3.442 -12.742 -5.167 835 2HA GLY 100 2HA GLY 100 -3.903 -11.562 -6.387 836 H ALA 101 H ALA 101 -1.395 -10.928 -7.456 837 HA ALA 101 HA ALA 101 -0.970 -13.092 -9.233 838 1HB ALA 101 1HB ALA 101 0.828 -10.721 -8.714 839 2HB ALA 101 2HB ALA 101 -0.521 -10.758 -9.851 840 3HB ALA 101 3HB ALA 101 0.887 -11.786 -10.120 841 H ASN 102 H ASN 102 0.670 -12.038 -6.302 842 HA ASN 102 HA ASN 102 2.862 -13.858 -6.518 843 1HB ASN 102 1HB ASN 102 2.856 -11.774 -5.115 844 2HB ASN 102 2HB ASN 102 1.739 -12.567 -4.012 845 1HD2 ASN 102 2HD2 ASN 102 4.431 -11.522 -3.568 846 2HD2 ASN 102 1HD2 ASN 102 5.361 -12.842 -2.957 847 H LEU 103 H LEU 103 0.071 -13.871 -4.285 848 HA LEU 103 HA LEU 103 -0.324 -16.706 -4.726 849 1HB LEU 103 1HB LEU 103 -0.195 -17.369 -2.414 850 2HB LEU 103 2HB LEU 103 1.330 -16.647 -2.881 851 HG LEU 103 HG LEU 103 -0.808 -15.224 -1.270 852 1HD1 LEU 103 1HD1 LEU 103 0.641 -15.571 0.661 853 2HD1 LEU 103 2HD1 LEU 103 1.753 -16.517 -0.330 854 3HD1 LEU 103 3HD1 LEU 103 0.121 -17.110 -0.025 855 1HD2 LEU 103 1HD2 LEU 103 0.972 -13.604 -0.784 856 2HD2 LEU 103 2HD2 LEU 103 0.617 -13.685 -2.508 857 3HD2 LEU 103 3HD2 LEU 103 2.059 -14.475 -1.869 858 H VAL 104 H VAL 104 -2.457 -16.991 -4.965 859 HA VAL 104 HA VAL 104 -4.179 -14.782 -4.199 860 HB VAL 104 HB VAL 104 -4.380 -15.542 -6.478 861 1HG1 VAL 104 1HG1 VAL 104 -3.707 -17.872 -6.211 862 2HG1 VAL 104 2HG1 VAL 104 -5.234 -17.750 -7.083 863 3HG1 VAL 104 3HG1 VAL 104 -5.223 -18.228 -5.384 864 1HG2 VAL 104 1HG2 VAL 104 -6.846 -16.263 -4.887 865 2HG2 VAL 104 2HG2 VAL 104 -6.802 -15.853 -6.602 866 3HG2 VAL 104 3HG2 VAL 104 -6.375 -14.639 -5.394 867 H CYS 105 H CYS 105 -4.167 -15.127 -1.973 868 HA CYS 105 HA CYS 105 -6.251 -17.058 -1.157 869 1HB CYS 105 1HB CYS 105 -3.904 -16.114 0.523 870 2HB CYS 105 2HB CYS 105 -5.169 -17.224 1.042 871 HG CYS 105 HG CYS 105 -3.803 -19.295 0.444 872 H ASN 106 H ASN 106 -5.724 -14.051 -1.913 873 HA ASN 106 HA ASN 106 -6.651 -12.609 0.423 874 1HB ASN 106 1HB ASN 106 -6.370 -10.621 -1.048 875 2HB ASN 106 2HB ASN 106 -4.918 -11.615 -0.987 876 1HD2 ASN 106 2HD2 ASN 106 -5.689 -9.732 -3.034 877 2HD2 ASN 106 1HD2 ASN 106 -5.807 -10.617 -4.509 878 H THR 107 H THR 107 -7.918 -13.789 -2.611 879 HA THR 107 HA THR 107 -10.201 -12.077 -2.697 880 HB THR 107 HB THR 107 -9.211 -13.065 -4.736 881 HG1 THR 107 HG1 THR 107 -11.613 -12.551 -4.399 882 1HG2 THR 107 1HG2 THR 107 -9.650 -15.406 -5.310 883 2HG2 THR 107 2HG2 THR 107 -10.372 -15.668 -3.723 884 3HG2 THR 107 3HG2 THR 107 -8.655 -15.286 -3.858 885 H ARG 108 H ARG 108 -9.516 -14.754 -0.766 886 HA ARG 108 HA ARG 108 -12.207 -15.818 -0.762 887 1HB ARG 108 1HB ARG 108 -10.010 -17.160 -0.436 888 2HB ARG 108 2HB ARG 108 -10.065 -16.586 1.221 889 1HG ARG 108 1HG ARG 108 -12.284 -18.153 -0.097 890 2HG ARG 108 2HG ARG 108 -10.996 -18.875 0.864 891 1HD ARG 108 1HD ARG 108 -13.047 -16.875 1.824 892 2HD ARG 108 2HD ARG 108 -13.007 -18.597 2.201 893 HE ARG 108 HE ARG 108 -10.607 -17.755 3.080 894 1HH1 ARG 108 1HH1 ARG 108 -13.855 -16.560 3.618 895 2HH1 ARG 108 2HH1 ARG 108 -13.497 -15.934 5.196 896 1HH2 ARG 108 1HH2 ARG 108 -10.129 -16.918 5.140 897 2HH2 ARG 108 2HH2 ARG 108 -11.380 -16.142 6.061 898 HA PRO 109 HA PRO 109 -12.463 -13.808 3.538 899 1HB PRO 109 1HB PRO 109 -10.398 -12.594 4.716 900 2HB PRO 109 2HB PRO 109 -10.498 -14.359 4.665 901 1HG PRO 109 1HG PRO 109 -8.873 -12.501 2.964 902 2HG PRO 109 2HG PRO 109 -8.409 -14.054 3.683 903 1HD PRO 109 1HD PRO 109 -9.231 -13.708 1.057 904 2HD PRO 109 2HD PRO 109 -9.282 -15.246 1.940 905 H PHE 110 H PHE 110 -11.557 -12.360 0.792 906 HA PHE 110 HA PHE 110 -11.223 -9.655 1.168 907 1HB PHE 110 1HB PHE 110 -11.465 -11.221 -0.992 908 2HB PHE 110 2HB PHE 110 -13.095 -10.566 -0.990 909 HD1 PHE 110 HD1 PHE 110 -13.211 -7.910 -0.797 910 HD2 PHE 110 HD2 PHE 110 -9.831 -10.129 -2.147 911 HE1 PHE 110 HE1 PHE 110 -12.393 -5.927 -2.005 912 HE2 PHE 110 HE2 PHE 110 -9.008 -8.145 -3.350 913 HZ PHE 110 HZ PHE 110 -10.293 -6.043 -3.283 914 H ASP 111 H ASP 111 -14.294 -11.394 0.752 915 HA ASP 111 HA ASP 111 -16.060 -9.285 1.176 916 1HB ASP 111 1HB ASP 111 -16.492 -12.172 2.003 917 2HB ASP 111 2HB ASP 111 -17.743 -10.976 1.680 918 H ASN 112 H ASN 112 -14.628 -11.560 3.455 919 HA ASN 112 HA ASN 112 -16.037 -10.674 5.742 920 1HB ASN 112 1HB ASN 112 -13.395 -12.152 5.594 921 2HB ASN 112 2HB ASN 112 -14.405 -12.000 7.025 922 1HD2 ASN 112 2HD2 ASN 112 -16.901 -12.350 5.443 923 2HD2 ASN 112 1HD2 ASN 112 -16.964 -14.041 5.082 924 H GLU 113 H GLU 113 -13.266 -9.453 4.089 925 HA GLU 113 HA GLU 113 -12.269 -7.924 6.316 926 1HB GLU 113 1HB GLU 113 -11.180 -8.695 3.911 927 2HB GLU 113 2HB GLU 113 -11.550 -7.005 3.602 928 1HG GLU 113 1HG GLU 113 -9.707 -8.177 5.658 929 2HG GLU 113 2HG GLU 113 -9.334 -7.038 4.370 930 H GLU 114 H GLU 114 -13.978 -7.162 3.291 931 HA GLU 114 HA GLU 114 -14.303 -4.401 3.934 932 1HB GLU 114 1HB GLU 114 -15.791 -6.090 1.909 933 2HB GLU 114 2HB GLU 114 -15.834 -4.334 1.997 934 1HG GLU 114 1HG GLU 114 -13.322 -4.391 1.641 935 2HG GLU 114 2HG GLU 114 -13.515 -6.099 1.246 936 H LYS 115 H LYS 115 -16.142 -7.255 4.650 937 HA LYS 115 HA LYS 115 -18.199 -5.734 6.019 938 1HB LYS 115 1HB LYS 115 -18.969 -5.794 3.673 939 2HB LYS 115 2HB LYS 115 -18.820 -7.544 3.665 940 1HG LYS 115 1HG LYS 115 -20.544 -7.578 5.517 941 2HG LYS 115 2HG LYS 115 -20.796 -5.861 5.190 942 1HD LYS 115 1HD LYS 115 -21.186 -8.155 3.257 943 2HD LYS 115 2HD LYS 115 -22.447 -7.160 3.986 944 1HE LYS 115 1HE LYS 115 -21.663 -5.210 2.787 945 2HE LYS 115 2HE LYS 115 -20.292 -6.115 2.146 946 1HZ LYS 115 1HZ LYS 115 -21.865 -7.553 0.975 947 2HZ LYS 115 2HZ LYS 115 -22.016 -5.938 0.500 948 3HZ LYS 115 3HZ LYS 115 -23.151 -6.618 1.550 949 H ASP 116 H ASP 116 -18.672 -6.824 7.847 950 HA ASP 116 HA ASP 116 -17.804 -9.431 8.438 951 1HB ASP 116 1HB ASP 116 -20.024 -7.773 9.673 952 2HB ASP 116 2HB ASP 116 -19.528 -9.339 10.305 953 H LYS 117 H LYS 117 -21.234 -8.573 8.349 954 HA LYS 117 HA LYS 117 -21.841 -10.470 6.258 955 1HB LYS 117 1HB LYS 117 -22.871 -10.896 9.084 956 2HB LYS 117 2HB LYS 117 -23.559 -11.671 7.664 957 1HG LYS 117 1HG LYS 117 -21.356 -12.739 7.242 958 2HG LYS 117 2HG LYS 117 -20.773 -12.042 8.755 959 1HD LYS 117 1HD LYS 117 -22.537 -13.256 9.974 960 2HD LYS 117 2HD LYS 117 -23.078 -13.974 8.454 961 1HE LYS 117 1HE LYS 117 -20.826 -14.987 8.187 962 2HE LYS 117 2HE LYS 117 -20.383 -14.344 9.769 963 1HZ LYS 117 1HZ LYS 117 -22.154 -15.663 10.757 964 2HZ LYS 117 2HZ LYS 117 -21.073 -16.651 9.906 965 3HZ LYS 117 3HZ LYS 117 -22.573 -16.272 9.235 Start of MODEL 10 1 1H SER 1 1H SER 1 4.486 17.061 -9.573 2 2H SER 1 2H SER 1 5.265 18.557 -9.500 3 3H SER 1 3H SER 1 4.716 17.823 -8.081 4 HA SER 1 HA SER 1 6.824 16.754 -9.851 5 1HB SER 1 1HB SER 1 7.593 18.766 -8.686 6 2HB SER 1 2HB SER 1 7.022 18.120 -7.149 7 HG SER 1 HG SER 1 8.999 17.396 -7.035 8 H MET 2 H MET 2 7.239 14.657 -9.547 9 HA MET 2 HA MET 2 6.104 13.319 -7.179 10 1HB MET 2 1HB MET 2 7.043 12.176 -9.827 11 2HB MET 2 2HB MET 2 6.450 11.217 -8.478 12 1HG MET 2 1HG MET 2 4.867 13.267 -10.020 13 2HG MET 2 2HG MET 2 4.738 11.516 -10.180 14 1HE MET 2 1HE MET 2 3.281 10.500 -6.673 15 2HE MET 2 2HE MET 2 4.967 10.523 -7.192 16 3HE MET 2 3HE MET 2 3.717 9.918 -8.280 17 H ASN 3 H ASN 3 8.856 14.765 -8.049 18 HA ASN 3 HA ASN 3 10.915 12.914 -7.967 19 1HB ASN 3 1HB ASN 3 10.940 15.461 -8.501 20 2HB ASN 3 2HB ASN 3 11.243 15.666 -6.783 21 1HD2 ASN 3 2HD2 ASN 3 12.923 13.260 -6.556 22 2HD2 ASN 3 1HD2 ASN 3 14.405 13.639 -7.349 23 H GLU 4 H GLU 4 9.186 14.412 -5.300 24 HA GLU 4 HA GLU 4 10.865 13.794 -3.171 25 1HB GLU 4 1HB GLU 4 7.848 13.905 -3.332 26 2HB GLU 4 2HB GLU 4 8.705 13.669 -1.816 27 1HG GLU 4 1HG GLU 4 8.036 16.001 -2.155 28 2HG GLU 4 2HG GLU 4 9.783 15.818 -2.030 29 H LEU 5 H LEU 5 8.598 11.760 -4.908 30 HA LEU 5 HA LEU 5 9.265 9.410 -3.291 31 1HB LEU 5 1HB LEU 5 6.914 9.796 -3.938 32 2HB LEU 5 2HB LEU 5 7.372 9.773 -5.629 33 HG LEU 5 HG LEU 5 8.196 7.364 -5.172 34 1HD1 LEU 5 1HD1 LEU 5 8.135 7.421 -2.756 35 2HD1 LEU 5 2HD1 LEU 5 7.012 6.203 -3.364 36 3HD1 LEU 5 3HD1 LEU 5 6.402 7.752 -2.779 37 1HD2 LEU 5 1HD2 LEU 5 5.243 7.985 -5.109 38 2HD2 LEU 5 2HD2 LEU 5 5.971 6.450 -5.586 39 3HD2 LEU 5 3HD2 LEU 5 6.255 7.899 -6.550 40 H GLU 6 H GLU 6 9.806 10.866 -6.378 41 HA GLU 6 HA GLU 6 10.746 8.478 -7.703 42 1HB GLU 6 1HB GLU 6 9.328 10.164 -8.824 43 2HB GLU 6 2HB GLU 6 10.595 11.361 -8.620 44 1HG GLU 6 1HG GLU 6 12.053 10.117 -10.102 45 2HG GLU 6 2HG GLU 6 10.839 8.846 -10.258 46 H ALA 7 H ALA 7 12.130 10.474 -5.549 47 HA ALA 7 HA ALA 7 14.489 11.469 -6.373 48 1HB ALA 7 1HB ALA 7 14.107 9.876 -3.840 49 2HB ALA 7 2HB ALA 7 13.679 11.572 -4.068 50 3HB ALA 7 3HB ALA 7 15.369 11.072 -4.140 51 H GLN 8 H GLN 8 14.163 8.058 -5.314 52 HA GLN 8 HA GLN 8 16.886 7.483 -6.014 53 1HB GLN 8 1HB GLN 8 14.680 5.530 -5.303 54 2HB GLN 8 2HB GLN 8 16.404 5.195 -5.319 55 1HG GLN 8 1HG GLN 8 16.104 5.519 -3.087 56 2HG GLN 8 2HG GLN 8 16.469 7.173 -3.569 57 1HE2 GLN 8 2HE2 GLN 8 15.015 6.262 -1.251 58 2HE2 GLN 8 1HE2 GLN 8 13.427 6.942 -1.339 59 H THR 9 H THR 9 17.628 6.102 -7.703 60 HA THR 9 HA THR 9 16.068 6.750 -10.083 61 HB THR 9 HB THR 9 18.958 5.861 -9.970 62 HG1 THR 9 HG1 THR 9 18.278 7.864 -8.715 63 1HG2 THR 9 1HG2 THR 9 19.123 7.077 -12.102 64 2HG2 THR 9 2HG2 THR 9 17.402 7.452 -12.024 65 3HG2 THR 9 3HG2 THR 9 17.934 5.779 -12.197 66 H ARG 10 H ARG 10 15.305 5.403 -11.492 67 HA ARG 10 HA ARG 10 14.598 3.571 -12.586 68 1HB ARG 10 1HB ARG 10 17.071 3.462 -13.088 69 2HB ARG 10 2HB ARG 10 17.213 2.277 -11.796 70 1HG ARG 10 1HG ARG 10 15.553 0.855 -13.020 71 2HG ARG 10 2HG ARG 10 15.629 2.008 -14.351 72 1HD ARG 10 1HD ARG 10 17.089 0.164 -14.837 73 2HD ARG 10 2HD ARG 10 18.070 1.590 -14.505 74 HE ARG 10 HE ARG 10 17.574 -0.361 -12.361 75 1HH1 ARG 10 1HH1 ARG 10 19.803 1.252 -14.530 76 2HH1 ARG 10 2HH1 ARG 10 21.216 0.624 -13.745 77 1HH2 ARG 10 1HH2 ARG 10 19.439 -1.195 -11.336 78 2HH2 ARG 10 2HH2 ARG 10 21.011 -0.752 -11.925 79 H VAL 11 H VAL 11 14.809 3.573 -9.355 80 HA VAL 11 HA VAL 11 13.581 0.912 -9.158 81 HB VAL 11 HB VAL 11 15.451 1.133 -7.623 82 1HG1 VAL 11 1HG1 VAL 11 14.032 3.549 -6.494 83 2HG1 VAL 11 2HG1 VAL 11 15.531 3.560 -7.422 84 3HG1 VAL 11 3HG1 VAL 11 15.486 2.803 -5.829 85 1HG2 VAL 11 1HG2 VAL 11 12.812 1.279 -6.152 86 2HG2 VAL 11 2HG2 VAL 11 14.320 0.636 -5.499 87 3HG2 VAL 11 3HG2 VAL 11 13.535 -0.169 -6.858 88 H LYS 12 H LYS 12 13.206 4.332 -8.322 89 HA LYS 12 HA LYS 12 10.470 3.892 -7.452 90 1HB LYS 12 1HB LYS 12 11.781 6.568 -7.976 91 2HB LYS 12 2HB LYS 12 10.401 6.225 -6.940 92 1HG LYS 12 1HG LYS 12 13.260 5.402 -6.446 93 2HG LYS 12 2HG LYS 12 12.384 6.686 -5.619 94 1HD LYS 12 1HD LYS 12 11.467 3.814 -5.561 95 2HD LYS 12 2HD LYS 12 12.632 4.451 -4.403 96 1HE LYS 12 1HE LYS 12 9.885 5.622 -4.847 97 2HE LYS 12 2HE LYS 12 10.253 4.426 -3.608 98 1HZ LYS 12 1HZ LYS 12 11.436 7.141 -3.822 99 2HZ LYS 12 2HZ LYS 12 11.848 5.990 -2.653 100 3HZ LYS 12 3HZ LYS 12 10.286 6.634 -2.687 101 H LEU 13 H LEU 13 12.227 5.058 -10.235 102 HA LEU 13 HA LEU 13 10.266 6.267 -11.751 103 1HB LEU 13 1HB LEU 13 12.558 4.519 -12.667 104 2HB LEU 13 2HB LEU 13 11.606 5.533 -13.735 105 HG LEU 13 HG LEU 13 13.288 6.571 -11.443 106 1HD1 LEU 13 1HD1 LEU 13 14.833 7.356 -13.174 107 2HD1 LEU 13 2HD1 LEU 13 13.864 6.550 -14.409 108 3HD1 LEU 13 3HD1 LEU 13 14.698 5.598 -13.180 109 1HD2 LEU 13 1HD2 LEU 13 11.391 8.013 -11.999 110 2HD2 LEU 13 2HD2 LEU 13 11.883 8.020 -13.693 111 3HD2 LEU 13 3HD2 LEU 13 12.918 8.758 -12.470 112 H ASN 14 H ASN 14 11.295 2.860 -12.119 113 HA ASN 14 HA ASN 14 9.344 2.218 -14.032 114 1HB ASN 14 1HB ASN 14 10.776 0.334 -12.129 115 2HB ASN 14 2HB ASN 14 9.969 -0.124 -13.628 116 1HD2 ASN 14 2HD2 ASN 14 11.839 -0.975 -14.524 117 2HD2 ASN 14 1HD2 ASN 14 13.146 0.016 -15.064 118 H TYR 15 H TYR 15 9.443 1.607 -10.549 119 HA TYR 15 HA TYR 15 7.005 0.263 -10.294 120 1HB TYR 15 1HB TYR 15 8.774 0.399 -8.550 121 2HB TYR 15 2HB TYR 15 8.360 2.086 -8.287 122 HD1 TYR 15 HD2 TYR 15 5.999 2.618 -7.419 123 HD2 TYR 15 HD1 TYR 15 7.654 -1.309 -7.379 124 HE1 TYR 15 HE2 TYR 15 4.387 1.965 -5.688 125 HE2 TYR 15 HE1 TYR 15 6.050 -1.967 -5.641 126 HH TYR 15 HH TYR 15 4.672 -0.915 -3.905 127 H LEU 16 H LEU 16 7.779 3.717 -10.245 128 HA LEU 16 HA LEU 16 5.229 4.647 -9.458 129 1HB LEU 16 1HB LEU 16 7.465 5.910 -9.495 130 2HB LEU 16 2HB LEU 16 7.174 6.167 -11.201 131 HG LEU 16 HG LEU 16 5.272 7.109 -9.042 132 1HD1 LEU 16 1HD1 LEU 16 7.443 8.169 -8.714 133 2HD1 LEU 16 2HD1 LEU 16 6.259 9.326 -9.318 134 3HD1 LEU 16 3HD1 LEU 16 7.473 8.658 -10.409 135 1HD2 LEU 16 1HD2 LEU 16 4.450 8.624 -10.797 136 2HD2 LEU 16 2HD2 LEU 16 4.248 6.933 -11.247 137 3HD2 LEU 16 3HD2 LEU 16 5.558 7.881 -11.953 138 H ASP 17 H ASP 17 6.751 4.180 -12.620 139 HA ASP 17 HA ASP 17 4.693 5.175 -14.223 140 1HB ASP 17 1HB ASP 17 6.944 4.676 -15.076 141 2HB ASP 17 2HB ASP 17 6.664 2.954 -14.839 142 H GLN 18 H GLN 18 5.267 1.881 -13.029 143 HA GLN 18 HA GLN 18 2.986 0.714 -14.254 144 1HB GLN 18 1HB GLN 18 4.872 -0.629 -13.433 145 2HB GLN 18 2HB GLN 18 4.518 -0.139 -11.782 146 1HG GLN 18 1HG GLN 18 2.270 -1.241 -12.037 147 2HG GLN 18 2HG GLN 18 2.840 -1.883 -13.576 148 1HE2 GLN 18 2HE2 GLN 18 4.847 -1.480 -10.735 149 2HE2 GLN 18 1HE2 GLN 18 5.098 -3.163 -10.438 150 H ILE 19 H ILE 19 3.582 1.821 -10.935 151 HA ILE 19 HA ILE 19 1.066 1.112 -9.891 152 HB ILE 19 HB ILE 19 3.273 1.648 -8.641 153 1HG1 ILE 19 1HG1 ILE 19 1.938 2.559 -6.625 154 2HG1 ILE 19 2HG1 ILE 19 0.533 2.479 -7.686 155 1HG2 ILE 19 1HG2 ILE 19 3.489 3.919 -7.773 156 2HG2 ILE 19 2HG2 ILE 19 2.128 4.435 -8.769 157 3HG2 ILE 19 3HG2 ILE 19 3.619 3.883 -9.531 158 1HD1 ILE 19 1HD1 ILE 19 0.681 0.506 -6.298 159 2HD1 ILE 19 2HD1 ILE 19 2.308 0.178 -6.897 160 3HD1 ILE 19 3HD1 ILE 19 0.928 0.080 -7.990 161 H ALA 20 H ALA 20 2.123 3.817 -11.738 162 HA ALA 20 HA ALA 20 -0.158 5.474 -11.076 163 1HB ALA 20 1HB ALA 20 1.931 5.820 -13.236 164 2HB ALA 20 2HB ALA 20 1.995 6.522 -11.619 165 3HB ALA 20 3HB ALA 20 0.733 7.021 -12.747 166 H LYS 21 H LYS 21 1.066 3.995 -14.092 167 HA LYS 21 HA LYS 21 -1.136 4.684 -15.639 168 1HB LYS 21 1HB LYS 21 0.840 2.427 -15.999 169 2HB LYS 21 2HB LYS 21 -0.347 2.876 -17.213 170 1HG LYS 21 1HG LYS 21 1.704 4.811 -16.149 171 2HG LYS 21 2HG LYS 21 2.003 3.761 -17.531 172 1HD LYS 21 1HD LYS 21 1.325 5.784 -18.497 173 2HD LYS 21 2HD LYS 21 -0.126 4.787 -18.544 174 1HE LYS 21 1HE LYS 21 -0.694 7.035 -17.851 175 2HE LYS 21 2HE LYS 21 -0.941 5.926 -16.505 176 1HZ LYS 21 1HZ LYS 21 0.132 7.828 -15.652 177 2HZ LYS 21 2HZ LYS 21 1.285 7.844 -16.891 178 3HZ LYS 21 3HZ LYS 21 1.326 6.629 -15.719 179 H PHE 22 H PHE 22 -0.554 1.593 -13.925 180 HA PHE 22 HA PHE 22 -2.755 0.218 -14.949 181 1HB PHE 22 1HB PHE 22 -1.130 -0.980 -13.638 182 2HB PHE 22 2HB PHE 22 -1.446 0.022 -12.226 183 HD1 PHE 22 HD1 PHE 22 -2.939 -2.566 -14.436 184 HD2 PHE 22 HD2 PHE 22 -3.149 -0.535 -10.701 185 HE1 PHE 22 HE1 PHE 22 -4.625 -4.178 -13.650 186 HE2 PHE 22 HE2 PHE 22 -4.821 -2.139 -9.900 187 HZ PHE 22 HZ PHE 22 -5.570 -3.969 -11.381 188 H TRP 23 H TRP 23 -2.580 2.023 -11.894 189 HA TRP 23 HA TRP 23 -5.304 1.709 -11.262 190 1HB TRP 23 1HB TRP 23 -3.578 2.157 -9.578 191 2HB TRP 23 2HB TRP 23 -3.315 3.758 -10.257 192 HD1 TRP 23 HD1 TRP 23 -4.170 5.357 -8.465 193 HE1 TRP 23 HE1 TRP 23 -6.357 5.649 -7.146 194 HE3 TRP 23 HE3 TRP 23 -6.601 1.115 -9.960 195 HZ2 TRP 23 HZ2 TRP 23 -8.779 4.259 -6.764 196 HZ3 TRP 23 HZ3 TRP 23 -8.850 0.672 -9.071 197 HH2 TRP 23 HH2 TRP 23 -9.917 2.211 -7.503 198 H GLU 24 H GLU 24 -3.562 4.254 -13.016 199 HA GLU 24 HA GLU 24 -5.709 6.114 -12.992 200 1HB GLU 24 1HB GLU 24 -3.354 5.841 -14.879 201 2HB GLU 24 2HB GLU 24 -4.503 7.172 -14.939 202 1HG GLU 24 1HG GLU 24 -3.884 7.736 -12.594 203 2HG GLU 24 2HG GLU 24 -2.643 6.488 -12.666 204 H ILE 25 H ILE 25 -4.797 3.478 -15.151 205 HA ILE 25 HA ILE 25 -6.860 4.117 -17.072 206 HB ILE 25 HB ILE 25 -5.111 1.649 -16.875 207 1HG1 ILE 25 1HG1 ILE 25 -3.751 3.626 -17.225 208 2HG1 ILE 25 2HG1 ILE 25 -3.834 2.726 -18.734 209 1HG2 ILE 25 1HG2 ILE 25 -5.718 1.271 -19.236 210 2HG2 ILE 25 2HG2 ILE 25 -6.856 2.616 -19.149 211 3HG2 ILE 25 3HG2 ILE 25 -7.116 1.176 -18.165 212 1HD1 ILE 25 1HD1 ILE 25 -5.402 5.205 -18.048 213 2HD1 ILE 25 2HD1 ILE 25 -5.531 4.297 -19.556 214 3HD1 ILE 25 3HD1 ILE 25 -4.018 5.101 -19.136 215 H GLN 26 H GLN 26 -6.717 2.429 -14.116 216 HA GLN 26 HA GLN 26 -8.949 0.679 -14.589 217 1HB GLN 26 1HB GLN 26 -7.602 1.639 -12.059 218 2HB GLN 26 2HB GLN 26 -8.994 0.563 -12.041 219 1HG GLN 26 1HG GLN 26 -6.343 -0.020 -13.351 220 2HG GLN 26 2HG GLN 26 -6.888 -0.653 -11.801 221 1HE2 GLN 26 2HE2 GLN 26 -9.638 -1.039 -12.715 222 2HE2 GLN 26 1HE2 GLN 26 -9.607 -2.416 -13.758 223 H GLY 27 H GLY 27 -9.008 3.814 -14.896 224 1HA GLY 27 1HA GLY 27 -10.876 5.177 -15.092 225 2HA GLY 27 2HA GLY 27 -11.810 3.991 -14.192 226 H SER 28 H SER 28 -8.769 5.383 -13.148 227 HA SER 28 HA SER 28 -10.083 7.177 -11.275 228 1HB SER 28 1HB SER 28 -9.999 4.957 -10.116 229 2HB SER 28 2HB SER 28 -8.243 4.969 -10.284 230 HG SER 28 HG SER 28 -9.720 6.090 -8.385 231 H SER 29 H SER 29 -7.997 7.892 -9.718 232 HA SER 29 HA SER 29 -5.712 8.424 -11.477 233 1HB SER 29 1HB SER 29 -5.708 10.812 -10.657 234 2HB SER 29 2HB SER 29 -7.053 10.411 -11.725 235 HG SER 29 HG SER 29 -7.335 10.197 -8.929 236 H LEU 30 H LEU 30 -3.872 7.974 -10.465 237 HA LEU 30 HA LEU 30 -3.846 6.927 -7.858 238 1HB LEU 30 1HB LEU 30 -2.227 6.257 -9.567 239 2HB LEU 30 2HB LEU 30 -1.536 7.870 -9.566 240 HG LEU 30 HG LEU 30 -0.861 7.529 -7.182 241 1HD1 LEU 30 1HD1 LEU 30 -1.753 4.688 -7.666 242 2HD1 LEU 30 2HD1 LEU 30 -2.500 5.839 -6.558 243 3HD1 LEU 30 3HD1 LEU 30 -0.860 5.266 -6.260 244 1HD2 LEU 30 1HD2 LEU 30 0.205 5.497 -9.139 245 2HD2 LEU 30 2HD2 LEU 30 1.015 6.039 -7.669 246 3HD2 LEU 30 3HD2 LEU 30 0.734 7.173 -8.990 247 H LYS 31 H LYS 31 -3.770 7.889 -5.958 248 HA LYS 31 HA LYS 31 -2.300 10.403 -5.670 249 1HB LYS 31 1HB LYS 31 -4.630 11.091 -5.836 250 2HB LYS 31 2HB LYS 31 -5.099 9.916 -4.613 251 1HG LYS 31 1HG LYS 31 -5.011 12.165 -3.681 252 2HG LYS 31 2HG LYS 31 -3.797 11.124 -2.933 253 1HD LYS 31 1HD LYS 31 -2.111 12.087 -4.524 254 2HD LYS 31 2HD LYS 31 -3.347 13.228 -5.058 255 1HE LYS 31 1HE LYS 31 -2.248 12.959 -2.255 256 2HE LYS 31 2HE LYS 31 -1.878 14.247 -3.399 257 1HZ LYS 31 1HZ LYS 31 -3.507 15.030 -1.868 258 2HZ LYS 31 2HZ LYS 31 -4.502 13.689 -2.130 259 3HZ LYS 31 3HZ LYS 31 -4.271 14.822 -3.363 260 H ILE 32 H ILE 32 -0.670 9.718 -4.459 261 HA ILE 32 HA ILE 32 -1.275 8.233 -1.991 262 HB ILE 32 HB ILE 32 1.232 7.814 -1.920 263 1HG1 ILE 32 1HG1 ILE 32 1.035 8.744 -4.804 264 2HG1 ILE 32 2HG1 ILE 32 1.946 9.533 -3.521 265 1HG2 ILE 32 1HG2 ILE 32 -0.334 6.619 -4.213 266 2HG2 ILE 32 2HG2 ILE 32 -0.379 6.087 -2.531 267 3HG2 ILE 32 3HG2 ILE 32 1.105 5.918 -3.468 268 1HD1 ILE 32 1HD1 ILE 32 3.400 7.573 -3.357 269 2HD1 ILE 32 2HD1 ILE 32 3.410 8.274 -4.975 270 3HD1 ILE 32 3HD1 ILE 32 2.494 6.801 -4.660 271 HA PRO 33 HA PRO 33 -0.684 12.413 -0.403 272 1HB PRO 33 1HB PRO 33 -1.797 11.281 2.075 273 2HB PRO 33 2HB PRO 33 -2.436 12.564 1.044 274 1HG PRO 33 1HG PRO 33 -3.605 10.145 1.186 275 2HG PRO 33 2HG PRO 33 -3.577 11.085 -0.319 276 1HD PRO 33 1HD PRO 33 -1.815 8.796 0.516 277 2HD PRO 33 2HD PRO 33 -2.617 9.086 -1.046 278 H ASN 34 H ASN 34 0.027 13.124 1.967 279 HA ASN 34 HA ASN 34 2.340 11.482 2.747 280 1HB ASN 34 1HB ASN 34 3.616 13.521 3.188 281 2HB ASN 34 2HB ASN 34 3.106 13.465 1.510 282 1HD2 ASN 34 2HD2 ASN 34 1.516 14.927 0.787 283 2HD2 ASN 34 1HD2 ASN 34 1.118 16.346 1.691 284 H VAL 35 H VAL 35 2.874 11.401 4.831 285 HA VAL 35 HA VAL 35 1.178 12.750 6.782 286 HB VAL 35 HB VAL 35 0.153 10.521 6.429 287 1HG1 VAL 35 1HG1 VAL 35 1.343 8.486 7.111 288 2HG1 VAL 35 2HG1 VAL 35 2.813 9.429 7.354 289 3HG1 VAL 35 3HG1 VAL 35 2.122 9.272 5.739 290 1HG2 VAL 35 1HG2 VAL 35 1.495 10.843 9.117 291 2HG2 VAL 35 2HG2 VAL 35 0.099 9.817 8.786 292 3HG2 VAL 35 3HG2 VAL 35 -0.033 11.566 8.618 293 H GLU 36 H GLU 36 2.261 13.262 8.683 294 HA GLU 36 HA GLU 36 4.048 13.754 10.007 295 1HB GLU 36 1HB GLU 36 5.114 11.077 9.074 296 2HB GLU 36 2HB GLU 36 5.645 11.978 10.485 297 1HG GLU 36 1HG GLU 36 3.031 10.573 10.047 298 2HG GLU 36 2HG GLU 36 4.234 10.281 11.298 299 H ARG 37 H ARG 37 4.007 14.305 7.104 300 HA ARG 37 HA ARG 37 5.128 15.660 5.721 301 1HB ARG 37 1HB ARG 37 6.936 16.939 6.386 302 2HB ARG 37 2HB ARG 37 6.166 16.540 7.909 303 1HG ARG 37 1HG ARG 37 8.043 14.515 7.555 304 2HG ARG 37 2HG ARG 37 8.857 15.968 6.975 305 1HD ARG 37 1HD ARG 37 7.481 15.677 9.652 306 2HD ARG 37 2HD ARG 37 9.225 15.575 9.383 307 HE ARG 37 HE ARG 37 9.192 17.912 8.736 308 1HH1 ARG 37 1HH1 ARG 37 6.291 16.740 10.305 309 2HH1 ARG 37 2HH1 ARG 37 5.825 18.305 10.892 310 1HH2 ARG 37 1HH2 ARG 37 8.576 19.966 9.494 311 2HH2 ARG 37 2HH2 ARG 37 7.118 20.135 10.427 312 H ARG 38 H ARG 38 5.564 12.585 5.979 313 HA ARG 38 HA ARG 38 7.477 12.581 3.725 314 1HB ARG 38 1HB ARG 38 8.418 11.277 5.568 315 2HB ARG 38 2HB ARG 38 6.936 10.332 5.688 316 1HG ARG 38 1HG ARG 38 7.308 9.428 3.451 317 2HG ARG 38 2HG ARG 38 8.766 10.403 3.287 318 1HD ARG 38 1HD ARG 38 9.839 9.167 5.071 319 2HD ARG 38 2HD ARG 38 8.355 8.258 5.374 320 HE ARG 38 HE ARG 38 8.761 7.651 2.827 321 1HH1 ARG 38 1HH1 ARG 38 11.115 7.776 5.430 322 2HH1 ARG 38 2HH1 ARG 38 12.108 6.532 4.738 323 1HH2 ARG 38 1HH2 ARG 38 10.064 6.051 1.933 324 2HH2 ARG 38 2HH2 ARG 38 11.514 5.549 2.752 325 H ILE 39 H ILE 39 6.864 11.524 1.869 326 HA ILE 39 HA ILE 39 4.054 11.175 1.440 327 HB ILE 39 HB ILE 39 5.515 12.049 -0.336 328 1HG1 ILE 39 1HG1 ILE 39 4.285 9.381 -1.095 329 2HG1 ILE 39 2HG1 ILE 39 3.402 10.896 -0.941 330 1HG2 ILE 39 1HG2 ILE 39 6.737 9.286 -0.407 331 2HG2 ILE 39 2HG2 ILE 39 7.529 10.755 0.162 332 3HG2 ILE 39 3HG2 ILE 39 7.078 10.600 -1.535 333 1HD1 ILE 39 1HD1 ILE 39 3.859 10.370 -3.263 334 2HD1 ILE 39 2HD1 ILE 39 5.589 10.319 -2.928 335 3HD1 ILE 39 3HD1 ILE 39 4.706 11.839 -2.777 336 H LEU 40 H LEU 40 2.942 9.252 0.973 337 HA LEU 40 HA LEU 40 3.805 6.986 2.472 338 1HB LEU 40 1HB LEU 40 1.437 7.622 2.236 339 2HB LEU 40 2HB LEU 40 1.510 7.263 0.522 340 HG LEU 40 HG LEU 40 1.941 4.884 1.040 341 1HD1 LEU 40 1HD1 LEU 40 1.534 5.717 3.915 342 2HD1 LEU 40 2HD1 LEU 40 3.045 5.156 3.196 343 3HD1 LEU 40 3HD1 LEU 40 1.671 4.058 3.327 344 1HD2 LEU 40 1HD2 LEU 40 -0.349 5.641 0.659 345 2HD2 LEU 40 2HD2 LEU 40 -0.527 6.005 2.375 346 3HD2 LEU 40 3HD2 LEU 40 -0.303 4.337 1.846 347 H ASP 41 H ASP 41 5.615 5.995 1.690 348 HA ASP 41 HA ASP 41 6.008 5.355 -1.064 349 1HB ASP 41 1HB ASP 41 7.356 4.398 1.469 350 2HB ASP 41 2HB ASP 41 7.762 3.719 -0.102 351 H LEU 42 H LEU 42 4.201 4.293 -1.802 352 HA LEU 42 HA LEU 42 2.905 2.098 -0.693 353 1HB LEU 42 1HB LEU 42 2.529 3.567 -2.902 354 2HB LEU 42 2HB LEU 42 3.302 2.192 -3.659 355 HG LEU 42 HG LEU 42 0.820 1.960 -1.943 356 1HD1 LEU 42 1HD1 LEU 42 0.313 3.368 -3.857 357 2HD1 LEU 42 2HD1 LEU 42 -0.433 1.783 -4.058 358 3HD1 LEU 42 3HD1 LEU 42 1.034 2.187 -4.949 359 1HD2 LEU 42 1HD2 LEU 42 2.105 0.053 -3.902 360 2HD2 LEU 42 2HD2 LEU 42 0.577 -0.214 -3.063 361 3HD2 LEU 42 3HD2 LEU 42 2.079 -0.113 -2.146 362 H TYR 43 H TYR 43 5.974 2.348 -2.202 363 HA TYR 43 HA TYR 43 6.611 -0.259 -2.926 364 1HB TYR 43 1HB TYR 43 8.459 1.714 -1.546 365 2HB TYR 43 2HB TYR 43 8.942 0.368 -2.571 366 HD1 TYR 43 HD1 TYR 43 6.825 3.458 -2.749 367 HD2 TYR 43 HD2 TYR 43 9.532 0.862 -4.765 368 HE1 TYR 43 HE1 TYR 43 6.835 4.976 -4.674 369 HE2 TYR 43 HE2 TYR 43 9.551 2.386 -6.696 370 HH TYR 43 HH TYR 43 8.087 4.130 -7.692 371 H SER 44 H SER 44 7.266 1.368 0.166 372 HA SER 44 HA SER 44 8.197 -0.886 1.546 373 1HB SER 44 1HB SER 44 8.567 1.488 2.249 374 2HB SER 44 2HB SER 44 6.871 1.579 2.722 375 HG SER 44 HG SER 44 9.005 0.345 3.973 376 H LEU 45 H LEU 45 5.002 0.603 1.347 377 HA LEU 45 HA LEU 45 3.593 -0.997 3.114 378 1HB LEU 45 1HB LEU 45 2.734 1.042 1.982 379 2HB LEU 45 2HB LEU 45 2.633 0.154 0.479 380 HG LEU 45 HG LEU 45 0.463 0.544 1.766 381 1HD1 LEU 45 1HD1 LEU 45 1.156 -2.305 1.055 382 2HD1 LEU 45 2HD1 LEU 45 0.632 -1.057 -0.074 383 3HD1 LEU 45 3HD1 LEU 45 -0.464 -1.622 1.185 384 1HD2 LEU 45 1HD2 LEU 45 1.308 0.014 3.999 385 2HD2 LEU 45 2HD2 LEU 45 1.583 -1.657 3.504 386 3HD2 LEU 45 3HD2 LEU 45 -0.058 -1.014 3.567 387 H SER 46 H SER 46 4.235 -1.508 -0.335 388 HA SER 46 HA SER 46 2.848 -3.898 -0.691 389 1HB SER 46 1HB SER 46 3.659 -2.640 -2.594 390 2HB SER 46 2HB SER 46 5.331 -2.830 -2.070 391 HG SER 46 HG SER 46 3.579 -4.903 -2.938 392 H LYS 47 H LYS 47 6.351 -3.463 -0.056 393 HA LYS 47 HA LYS 47 6.886 -6.234 0.066 394 1HB LYS 47 1HB LYS 47 9.056 -5.606 1.055 395 2HB LYS 47 2HB LYS 47 8.674 -4.639 -0.362 396 1HG LYS 47 1HG LYS 47 8.027 -2.774 1.046 397 2HG LYS 47 2HG LYS 47 8.306 -3.739 2.494 398 1HD LYS 47 1HD LYS 47 10.484 -3.197 0.482 399 2HD LYS 47 2HD LYS 47 10.130 -2.083 1.801 400 1HE LYS 47 1HE LYS 47 11.932 -3.492 2.496 401 2HE LYS 47 2HE LYS 47 10.499 -3.964 3.403 402 1HZ LYS 47 1HZ LYS 47 11.532 -5.375 1.001 403 2HZ LYS 47 2HZ LYS 47 10.225 -5.858 1.959 404 3HZ LYS 47 3HZ LYS 47 11.787 -5.865 2.599 405 H ILE 48 H ILE 48 5.891 -3.911 2.503 406 HA ILE 48 HA ILE 48 6.436 -5.573 4.744 407 HB ILE 48 HB ILE 48 4.633 -3.176 4.413 408 1HG1 ILE 48 1HG1 ILE 48 7.253 -3.583 5.888 409 2HG1 ILE 48 2HG1 ILE 48 7.077 -2.801 4.322 410 1HG2 ILE 48 1HG2 ILE 48 5.213 -4.699 6.963 411 2HG2 ILE 48 2HG2 ILE 48 3.652 -4.589 6.146 412 3HG2 ILE 48 3HG2 ILE 48 4.376 -3.149 6.861 413 1HD1 ILE 48 1HD1 ILE 48 5.947 -1.820 6.932 414 2HD1 ILE 48 2HD1 ILE 48 5.738 -1.038 5.363 415 3HD1 ILE 48 3HD1 ILE 48 7.344 -1.167 6.079 416 H VAL 49 H VAL 49 3.414 -4.914 2.930 417 HA VAL 49 HA VAL 49 1.737 -6.592 4.410 418 HB VAL 49 HB VAL 49 1.621 -5.944 1.446 419 1HG1 VAL 49 1HG1 VAL 49 -0.504 -7.174 3.215 420 2HG1 VAL 49 2HG1 VAL 49 0.342 -7.974 1.889 421 3HG1 VAL 49 3HG1 VAL 49 -0.745 -6.626 1.554 422 1HG2 VAL 49 1HG2 VAL 49 -0.075 -4.306 2.101 423 2HG2 VAL 49 2HG2 VAL 49 1.458 -3.987 2.913 424 3HG2 VAL 49 3HG2 VAL 49 0.136 -4.753 3.795 425 H VAL 50 H VAL 50 3.768 -7.317 1.579 426 HA VAL 50 HA VAL 50 3.137 -10.052 1.360 427 HB VAL 50 HB VAL 50 5.744 -8.663 0.662 428 1HG1 VAL 50 1HG1 VAL 50 4.659 -11.333 -0.262 429 2HG1 VAL 50 2HG1 VAL 50 6.044 -11.081 0.801 430 3HG1 VAL 50 3HG1 VAL 50 6.115 -10.548 -0.878 431 1HG2 VAL 50 1HG2 VAL 50 3.330 -9.266 -1.058 432 2HG2 VAL 50 2HG2 VAL 50 4.840 -8.542 -1.614 433 3HG2 VAL 50 3HG2 VAL 50 3.812 -7.674 -0.473 434 H GLU 51 H GLU 51 5.501 -8.331 3.332 435 HA GLU 51 HA GLU 51 6.793 -10.670 4.349 436 1HB GLU 51 1HB GLU 51 7.898 -8.469 4.250 437 2HB GLU 51 2HB GLU 51 6.748 -7.836 5.417 438 1HG GLU 51 1HG GLU 51 7.602 -9.358 7.116 439 2HG GLU 51 2HG GLU 51 8.722 -10.053 5.945 440 H GLU 52 H GLU 52 4.021 -8.781 5.294 441 HA GLU 52 HA GLU 52 3.807 -9.842 7.948 442 1HB GLU 52 1HB GLU 52 1.836 -8.340 6.215 443 2HB GLU 52 2HB GLU 52 1.530 -8.782 7.884 444 1HG GLU 52 1HG GLU 52 3.723 -6.955 6.917 445 2HG GLU 52 2HG GLU 52 2.214 -6.450 7.668 446 H GLY 53 H GLY 53 2.468 -10.627 4.783 447 1HA GLY 53 1HA GLY 53 2.228 -12.995 4.314 448 2HA GLY 53 2HA GLY 53 1.603 -13.208 5.939 449 H GLY 54 H GLY 54 0.025 -10.518 5.180 450 1HA GLY 54 1HA GLY 54 -1.713 -11.046 3.087 451 2HA GLY 54 2HA GLY 54 -2.388 -11.870 4.485 452 H TYR 55 H TYR 55 -3.175 -9.437 2.814 453 HA TYR 55 HA TYR 55 -2.923 -7.090 4.300 454 1HB TYR 55 1HB TYR 55 -3.646 -6.897 2.050 455 2HB TYR 55 2HB TYR 55 -4.977 -8.022 2.294 456 HD1 TYR 55 HD2 TYR 55 -3.868 -4.866 4.002 457 HD2 TYR 55 HD1 TYR 55 -7.020 -6.973 2.076 458 HE1 TYR 55 HE2 TYR 55 -5.393 -2.992 4.459 459 HE2 TYR 55 HE1 TYR 55 -8.554 -5.108 2.535 460 HH TYR 55 HH TYR 55 -8.759 -3.241 4.138 461 H GLU 56 H GLU 56 -5.698 -9.351 4.231 462 HA GLU 56 HA GLU 56 -7.268 -7.974 6.073 463 1HB GLU 56 1HB GLU 56 -7.186 -10.929 5.456 464 2HB GLU 56 2HB GLU 56 -8.394 -10.193 6.500 465 1HG GLU 56 1HG GLU 56 -9.372 -10.445 4.361 466 2HG GLU 56 2HG GLU 56 -9.039 -8.727 4.587 467 H ALA 57 H ALA 57 -4.686 -10.319 6.641 468 HA ALA 57 HA ALA 57 -5.224 -10.779 9.370 469 1HB ALA 57 1HB ALA 57 -2.903 -11.557 9.521 470 2HB ALA 57 2HB ALA 57 -2.554 -10.838 7.948 471 3HB ALA 57 3HB ALA 57 -3.687 -12.184 8.071 472 H ILE 58 H ILE 58 -3.103 -8.438 7.763 473 HA ILE 58 HA ILE 58 -2.205 -7.148 10.126 474 HB ILE 58 HB ILE 58 -2.512 -5.711 7.492 475 1HG1 ILE 58 1HG1 ILE 58 -0.185 -7.538 8.127 476 2HG1 ILE 58 2HG1 ILE 58 -1.549 -8.036 7.129 477 1HG2 ILE 58 1HG2 ILE 58 -0.401 -5.599 9.648 478 2HG2 ILE 58 2HG2 ILE 58 -1.689 -4.423 9.381 479 3HG2 ILE 58 3HG2 ILE 58 -0.419 -4.628 8.174 480 1HD1 ILE 58 1HD1 ILE 58 0.328 -5.755 6.548 481 2HD1 ILE 58 2HD1 ILE 58 -1.048 -6.235 5.553 482 3HD1 ILE 58 3HD1 ILE 58 0.318 -7.332 5.759 483 H CYS 59 H CYS 59 -4.981 -6.792 8.051 484 HA CYS 59 HA CYS 59 -5.727 -4.197 8.985 485 1HB CYS 59 1HB CYS 59 -6.266 -5.153 6.710 486 2HB CYS 59 2HB CYS 59 -7.463 -6.182 7.494 487 HG CYS 59 HG CYS 59 -9.314 -4.390 7.839 488 H LYS 60 H LYS 60 -6.714 -7.513 9.740 489 HA LYS 60 HA LYS 60 -8.901 -6.633 11.409 490 1HB LYS 60 1HB LYS 60 -7.691 -9.385 11.057 491 2HB LYS 60 2HB LYS 60 -9.164 -9.035 11.949 492 1HG LYS 60 1HG LYS 60 -8.714 -8.712 8.984 493 2HG LYS 60 2HG LYS 60 -9.742 -9.900 9.785 494 1HD LYS 60 1HD LYS 60 -11.148 -8.031 10.640 495 2HD LYS 60 2HD LYS 60 -10.151 -6.901 9.720 496 1HE LYS 60 1HE LYS 60 -10.768 -8.129 7.646 497 2HE LYS 60 2HE LYS 60 -11.853 -9.137 8.605 498 1HZ LYS 60 1HZ LYS 60 -12.057 -6.216 8.115 499 2HZ LYS 60 2HZ LYS 60 -12.990 -7.032 9.268 500 3HZ LYS 60 3HZ LYS 60 -13.142 -7.426 7.630 501 H ASP 61 H ASP 61 -5.599 -7.819 11.851 502 HA ASP 61 HA ASP 61 -5.781 -7.680 14.738 503 1HB ASP 61 1HB ASP 61 -3.541 -8.220 12.794 504 2HB ASP 61 2HB ASP 61 -3.194 -7.912 14.492 505 H ARG 62 H ARG 62 -5.390 -5.480 12.230 506 HA ARG 62 HA ARG 62 -4.894 -3.276 12.093 507 1HB ARG 62 1HB ARG 62 -5.183 -3.345 15.111 508 2HB ARG 62 2HB ARG 62 -5.199 -1.895 14.111 509 1HG ARG 62 1HG ARG 62 -7.227 -2.715 12.981 510 2HG ARG 62 2HG ARG 62 -7.220 -4.136 14.024 511 1HD ARG 62 1HD ARG 62 -8.793 -2.558 14.905 512 2HD ARG 62 2HD ARG 62 -7.403 -2.620 15.990 513 HE ARG 62 HE ARG 62 -6.780 -0.548 14.404 514 1HH1 ARG 62 1HH1 ARG 62 -9.685 -1.350 16.179 515 2HH1 ARG 62 2HH1 ARG 62 -10.186 0.301 16.361 516 1HH2 ARG 62 1HH2 ARG 62 -7.412 1.637 14.670 517 2HH2 ARG 62 2HH2 ARG 62 -8.873 2.002 15.535 518 H ARG 63 H ARG 63 -2.826 -5.141 12.151 519 HA ARG 63 HA ARG 63 -0.712 -4.443 13.931 520 1HB ARG 63 1HB ARG 63 -1.203 -6.618 12.453 521 2HB ARG 63 2HB ARG 63 -0.171 -5.782 11.304 522 1HG ARG 63 1HG ARG 63 1.213 -7.258 12.533 523 2HG ARG 63 2HG ARG 63 1.566 -5.631 13.118 524 1HD ARG 63 1HD ARG 63 0.184 -5.993 15.077 525 2HD ARG 63 2HD ARG 63 -0.316 -7.572 14.470 526 HE ARG 63 HE ARG 63 2.536 -7.274 14.798 527 1HH1 ARG 63 1HH1 ARG 63 -0.460 -8.275 16.323 528 2HH1 ARG 63 2HH1 ARG 63 0.335 -9.236 17.525 529 1HH2 ARG 63 1HH2 ARG 63 3.571 -8.543 16.372 530 2HH2 ARG 63 2HH2 ARG 63 2.624 -9.381 17.561 531 H TRP 64 H TRP 64 -2.005 -2.845 11.308 532 HA TRP 64 HA TRP 64 0.114 -1.751 9.908 533 1HB TRP 64 1HB TRP 64 -2.432 -0.344 10.763 534 2HB TRP 64 2HB TRP 64 -1.349 0.198 9.487 535 HD1 TRP 64 HD1 TRP 64 -4.482 -1.585 9.894 536 HE1 TRP 64 HE1 TRP 64 -5.061 -2.960 7.800 537 HE3 TRP 64 HE3 TRP 64 0.083 -1.524 7.569 538 HZ2 TRP 64 HZ2 TRP 64 -3.772 -3.894 5.492 539 HZ3 TRP 64 HZ3 TRP 64 0.316 -2.687 5.415 540 HH2 TRP 64 HH2 TRP 64 -1.574 -3.850 4.397 541 H ALA 65 H ALA 65 -0.849 -1.220 13.178 542 HA ALA 65 HA ALA 65 0.251 1.261 13.756 543 1HB ALA 65 1HB ALA 65 0.224 -1.198 15.515 544 2HB ALA 65 2HB ALA 65 -1.094 -0.039 15.340 545 3HB ALA 65 3HB ALA 65 0.433 0.467 16.063 546 H ARG 66 H ARG 66 1.826 -1.948 13.851 547 HA ARG 66 HA ARG 66 4.361 -0.870 14.609 548 1HB ARG 66 1HB ARG 66 5.159 -3.037 14.640 549 2HB ARG 66 2HB ARG 66 3.442 -3.311 14.890 550 1HG ARG 66 1HG ARG 66 3.162 -3.957 12.573 551 2HG ARG 66 2HG ARG 66 4.844 -3.545 12.224 552 1HD ARG 66 1HD ARG 66 5.450 -5.253 14.032 553 2HD ARG 66 2HD ARG 66 3.777 -5.796 13.915 554 HE ARG 66 HE ARG 66 4.450 -6.013 11.387 555 1HH1 ARG 66 1HH1 ARG 66 6.388 -6.795 14.201 556 2HH1 ARG 66 2HH1 ARG 66 7.282 -8.043 13.392 557 1HH2 ARG 66 1HH2 ARG 66 5.622 -7.657 10.330 558 2HH2 ARG 66 2HH2 ARG 66 6.823 -8.558 11.204 559 H VAL 67 H VAL 67 2.740 -1.469 11.616 560 HA VAL 67 HA VAL 67 4.945 -1.362 9.848 561 HB VAL 67 HB VAL 67 2.054 -0.574 9.375 562 1HG1 VAL 67 1HG1 VAL 67 4.234 -1.180 7.372 563 2HG1 VAL 67 2HG1 VAL 67 3.506 0.396 7.673 564 3HG1 VAL 67 3HG1 VAL 67 2.534 -0.906 6.988 565 1HG2 VAL 67 1HG2 VAL 67 3.492 -3.186 8.866 566 2HG2 VAL 67 2HG2 VAL 67 1.831 -2.823 8.395 567 3HG2 VAL 67 3HG2 VAL 67 2.268 -2.888 10.102 568 H ALA 68 H ALA 68 2.598 1.143 10.823 569 HA ALA 68 HA ALA 68 3.796 3.319 9.553 570 1HB ALA 68 1HB ALA 68 1.542 3.394 10.523 571 2HB ALA 68 2HB ALA 68 2.539 4.723 11.114 572 3HB ALA 68 3HB ALA 68 2.233 3.322 12.144 573 H GLN 69 H GLN 69 4.287 1.990 12.799 574 HA GLN 69 HA GLN 69 6.187 3.818 13.735 575 1HB GLN 69 1HB GLN 69 5.072 2.114 15.142 576 2HB GLN 69 2HB GLN 69 5.989 0.853 14.329 577 1HG GLN 69 1HG GLN 69 8.080 1.923 15.168 578 2HG GLN 69 2HG GLN 69 7.076 3.040 16.092 579 1HE2 GLN 69 2HE2 GLN 69 8.180 -0.241 15.779 580 2HE2 GLN 69 1HE2 GLN 69 7.643 -0.782 17.331 581 H ARG 70 H ARG 70 6.545 0.919 11.748 582 HA ARG 70 HA ARG 70 9.366 0.834 11.682 583 1HB ARG 70 1HB ARG 70 8.033 -1.079 10.976 584 2HB ARG 70 2HB ARG 70 7.329 -0.143 9.663 585 1HG ARG 70 1HG ARG 70 9.568 0.063 8.643 586 2HG ARG 70 2HG ARG 70 10.220 -0.951 9.931 587 1HD ARG 70 1HD ARG 70 8.761 -2.786 9.226 588 2HD ARG 70 2HD ARG 70 8.101 -1.769 7.943 589 HE ARG 70 HE ARG 70 10.765 -1.716 7.463 590 1HH1 ARG 70 1HH1 ARG 70 8.477 -4.325 7.924 591 2HH1 ARG 70 2HH1 ARG 70 9.358 -5.440 6.931 592 1HH2 ARG 70 1HH2 ARG 70 11.912 -3.154 6.149 593 2HH2 ARG 70 2HH2 ARG 70 11.308 -4.762 5.895 594 H LEU 71 H LEU 71 6.970 2.499 9.706 595 HA LEU 71 HA LEU 71 8.900 3.586 7.875 596 1HB LEU 71 1HB LEU 71 5.968 4.004 8.334 597 2HB LEU 71 2HB LEU 71 6.858 5.147 7.345 598 HG LEU 71 HG LEU 71 7.523 3.308 5.826 599 1HD1 LEU 71 1HD1 LEU 71 7.470 1.451 7.396 600 2HD1 LEU 71 2HD1 LEU 71 6.453 1.122 5.995 601 3HD1 LEU 71 3HD1 LEU 71 5.717 1.594 7.527 602 1HD2 LEU 71 1HD2 LEU 71 5.326 2.958 4.799 603 2HD2 LEU 71 2HD2 LEU 71 5.543 4.630 5.314 604 3HD2 LEU 71 3HD2 LEU 71 4.544 3.536 6.272 605 H ASN 72 H ASN 72 8.756 4.154 10.984 606 HA ASN 72 HA ASN 72 9.867 5.705 12.211 607 1HB ASN 72 1HB ASN 72 11.426 6.361 10.631 608 2HB ASN 72 2HB ASN 72 10.210 6.896 9.485 609 1HD2 ASN 72 2HD2 ASN 72 9.410 8.950 9.609 610 2HD2 ASN 72 1HD2 ASN 72 10.149 10.189 10.562 611 H TYR 73 H TYR 73 6.886 5.891 11.005 612 HA TYR 73 HA TYR 73 6.097 8.520 11.842 613 1HB TYR 73 1HB TYR 73 4.358 6.064 11.455 614 2HB TYR 73 2HB TYR 73 3.803 7.731 11.537 615 HD1 TYR 73 HD2 TYR 73 6.074 8.877 9.761 616 HD2 TYR 73 HD1 TYR 73 3.444 5.556 9.313 617 HE1 TYR 73 HE2 TYR 73 6.278 9.047 7.316 618 HE2 TYR 73 HE1 TYR 73 3.640 5.721 6.872 619 HH TYR 73 HH TYR 73 6.008 7.574 5.335 620 HA PRO 74 HA PRO 74 5.933 7.819 16.199 621 1HB PRO 74 1HB PRO 74 3.977 9.567 16.941 622 2HB PRO 74 2HB PRO 74 5.596 10.082 16.450 623 1HG PRO 74 1HG PRO 74 3.070 9.987 14.831 624 2HG PRO 74 2HG PRO 74 4.286 11.277 14.929 625 1HD PRO 74 1HD PRO 74 4.231 9.525 12.883 626 2HD PRO 74 2HD PRO 74 5.758 10.169 13.521 627 HA PRO 75 HA PRO 75 2.793 4.737 16.937 628 1HB PRO 75 1HB PRO 75 3.233 5.416 19.805 629 2HB PRO 75 2HB PRO 75 3.354 3.854 18.985 630 1HG PRO 75 1HG PRO 75 5.551 5.156 19.739 631 2HG PRO 75 2HG PRO 75 5.498 4.292 18.188 632 1HD PRO 75 1HD PRO 75 5.229 7.233 18.729 633 2HD PRO 75 2HD PRO 75 6.129 6.402 17.442 634 H GLY 76 H GLY 76 0.900 4.548 18.709 635 1HA GLY 76 1HA GLY 76 -0.841 5.916 19.792 636 2HA GLY 76 2HA GLY 76 -0.633 7.075 18.483 637 H LYS 77 H LYS 77 -0.238 4.505 16.781 638 HA LYS 77 HA LYS 77 -1.439 3.148 15.425 639 1HB LYS 77 1HB LYS 77 -3.476 3.310 17.664 640 2HB LYS 77 2HB LYS 77 -3.591 2.209 16.294 641 1HG LYS 77 1HG LYS 77 -1.604 1.051 16.965 642 2HG LYS 77 2HG LYS 77 -1.263 2.246 18.213 643 1HD LYS 77 1HD LYS 77 -3.700 0.456 18.182 644 2HD LYS 77 2HD LYS 77 -2.220 0.106 19.076 645 1HE LYS 77 1HE LYS 77 -2.522 2.286 20.273 646 2HE LYS 77 2HE LYS 77 -4.090 2.443 19.484 647 1HZ LYS 77 1HZ LYS 77 -3.293 0.199 21.255 648 2HZ LYS 77 2HZ LYS 77 -4.813 0.423 20.553 649 3HZ LYS 77 3HZ LYS 77 -4.253 1.508 21.723 650 H ASN 78 H ASN 78 -1.841 6.195 15.613 651 HA ASN 78 HA ASN 78 -4.456 6.698 14.563 652 1HB ASN 78 1HB ASN 78 -3.145 8.387 15.844 653 2HB ASN 78 2HB ASN 78 -1.998 8.476 14.510 654 1HD2 ASN 78 2HD2 ASN 78 -2.645 9.458 12.557 655 2HD2 ASN 78 1HD2 ASN 78 -4.027 10.493 12.483 656 H ILE 79 H ILE 79 -1.191 6.823 13.139 657 HA ILE 79 HA ILE 79 -2.006 7.450 10.529 658 HB ILE 79 HB ILE 79 0.530 5.996 11.355 659 1HG1 ILE 79 1HG1 ILE 79 1.536 8.347 11.001 660 2HG1 ILE 79 2HG1 ILE 79 -0.116 8.945 11.098 661 1HG2 ILE 79 1HG2 ILE 79 -0.126 7.481 8.802 662 2HG2 ILE 79 2HG2 ILE 79 0.079 5.736 8.977 663 3HG2 ILE 79 3HG2 ILE 79 1.452 6.813 9.224 664 1HD1 ILE 79 1HD1 ILE 79 1.043 9.173 13.215 665 2HD1 ILE 79 2HD1 ILE 79 1.352 7.437 13.252 666 3HD1 ILE 79 3HD1 ILE 79 -0.302 8.042 13.360 667 H GLY 80 H GLY 80 -1.957 4.465 12.258 668 1HA GLY 80 1HA GLY 80 -1.875 2.592 10.179 669 2HA GLY 80 2HA GLY 80 -2.672 2.355 11.729 670 H SER 81 H SER 81 -4.577 4.447 11.507 671 HA SER 81 HA SER 81 -6.617 3.147 10.026 672 1HB SER 81 1HB SER 81 -6.638 5.993 11.080 673 2HB SER 81 2HB SER 81 -8.037 4.970 10.742 674 HG SER 81 HG SER 81 -7.072 5.208 13.027 675 H LEU 82 H LEU 82 -4.766 6.125 9.521 676 HA LEU 82 HA LEU 82 -5.862 6.972 7.108 677 1HB LEU 82 1HB LEU 82 -4.382 8.414 8.311 678 2HB LEU 82 2HB LEU 82 -3.086 7.241 8.271 679 HG LEU 82 HG LEU 82 -4.023 8.259 5.631 680 1HD1 LEU 82 1HD1 LEU 82 -4.007 10.318 6.942 681 2HD1 LEU 82 2HD1 LEU 82 -2.668 10.286 5.795 682 3HD1 LEU 82 3HD1 LEU 82 -2.372 9.961 7.505 683 1HD2 LEU 82 1HD2 LEU 82 -1.628 8.168 5.132 684 2HD2 LEU 82 2HD2 LEU 82 -2.200 6.636 5.789 685 3HD2 LEU 82 3HD2 LEU 82 -1.287 7.746 6.812 686 H LEU 83 H LEU 83 -3.189 4.758 7.726 687 HA LEU 83 HA LEU 83 -2.456 4.265 5.070 688 1HB LEU 83 1HB LEU 83 -1.039 3.701 6.974 689 2HB LEU 83 2HB LEU 83 -2.204 2.508 7.516 690 HG LEU 83 HG LEU 83 -1.769 1.139 5.541 691 1HD1 LEU 83 1HD1 LEU 83 0.245 3.266 4.788 692 2HD1 LEU 83 2HD1 LEU 83 -1.255 2.900 3.935 693 3HD1 LEU 83 3HD1 LEU 83 0.042 1.708 3.985 694 1HD2 LEU 83 1HD2 LEU 83 -0.407 0.781 7.538 695 2HD2 LEU 83 2HD2 LEU 83 0.766 1.968 6.967 696 3HD2 LEU 83 3HD2 LEU 83 0.526 0.465 6.075 697 H ARG 84 H ARG 84 -4.613 2.421 7.237 698 HA ARG 84 HA ARG 84 -5.373 0.418 5.461 699 1HB ARG 84 1HB ARG 84 -5.963 0.415 7.866 700 2HB ARG 84 2HB ARG 84 -7.101 1.727 7.582 701 1HG ARG 84 1HG ARG 84 -8.358 0.229 6.034 702 2HG ARG 84 2HG ARG 84 -7.267 -1.082 6.485 703 1HD ARG 84 1HD ARG 84 -7.970 -0.761 8.859 704 2HD ARG 84 2HD ARG 84 -9.154 0.423 8.303 705 HE ARG 84 HE ARG 84 -9.500 -2.002 6.892 706 1HH1 ARG 84 1HH1 ARG 84 -10.076 -0.567 10.034 707 2HH1 ARG 84 2HH1 ARG 84 -11.313 -1.699 10.471 708 1HH2 ARG 84 1HH2 ARG 84 -11.133 -3.499 7.457 709 2HH2 ARG 84 2HH2 ARG 84 -11.907 -3.378 9.011 710 H SER 85 H SER 85 -6.897 3.577 6.039 711 HA SER 85 HA SER 85 -9.065 3.299 4.315 712 1HB SER 85 1HB SER 85 -7.573 5.843 5.016 713 2HB SER 85 2HB SER 85 -9.218 5.749 4.383 714 HG SER 85 HG SER 85 -9.370 4.224 6.395 715 H HIS 86 H HIS 86 -5.810 4.589 3.664 716 HA HIS 86 HA HIS 86 -6.375 5.222 0.941 717 1HB HIS 86 1HB HIS 86 -3.724 4.819 2.346 718 2HB HIS 86 2HB HIS 86 -3.890 5.401 0.692 719 HD1 HIS 86 HD1 HIS 86 -5.961 7.528 0.846 720 HD2 HIS 86 HD2 HIS 86 -3.142 6.977 3.847 721 HE1 HIS 86 HE1 HIS 86 -5.871 9.704 2.108 722 HE2 HIS 86 HE2 HIS 86 -4.302 9.286 4.014 723 H TYR 87 H TYR 87 -5.195 2.338 2.573 724 HA TYR 87 HA TYR 87 -4.380 0.920 0.273 725 1HB TYR 87 1HB TYR 87 -3.950 0.242 2.696 726 2HB TYR 87 2HB TYR 87 -5.612 -0.332 2.749 727 HD1 TYR 87 HD2 TYR 87 -6.220 -1.977 0.684 728 HD2 TYR 87 HD1 TYR 87 -2.305 -1.339 2.239 729 HE1 TYR 87 HE2 TYR 87 -5.499 -4.120 -0.266 730 HE2 TYR 87 HE1 TYR 87 -1.576 -3.487 1.282 731 HH TYR 87 HH TYR 87 -2.833 -5.743 0.575 732 H GLU 88 H GLU 88 -7.445 0.931 2.058 733 HA GLU 88 HA GLU 88 -8.884 -0.894 0.582 734 1HB GLU 88 1HB GLU 88 -9.889 1.624 1.926 735 2HB GLU 88 2HB GLU 88 -10.911 0.294 1.398 736 1HG GLU 88 1HG GLU 88 -9.893 -1.192 2.993 737 2HG GLU 88 2HG GLU 88 -8.711 0.039 3.445 738 H ARG 89 H ARG 89 -8.218 2.471 -0.196 739 HA ARG 89 HA ARG 89 -10.181 2.364 -2.383 740 1HB ARG 89 1HB ARG 89 -8.898 4.739 -1.016 741 2HB ARG 89 2HB ARG 89 -10.036 4.849 -2.355 742 1HG ARG 89 1HG ARG 89 -10.615 3.639 0.351 743 2HG ARG 89 2HG ARG 89 -11.136 5.233 -0.206 744 1HD ARG 89 1HD ARG 89 -12.611 4.318 -1.795 745 2HD ARG 89 2HD ARG 89 -11.849 2.730 -1.719 746 HE ARG 89 HE ARG 89 -12.877 3.283 0.811 747 1HH1 ARG 89 1HH1 ARG 89 -14.139 2.861 -2.435 748 2HH1 ARG 89 2HH1 ARG 89 -15.592 2.077 -1.897 749 1HH2 ARG 89 1HH2 ARG 89 -14.783 2.257 1.515 750 2HH2 ARG 89 2HH2 ARG 89 -15.969 1.753 0.351 751 H ILE 90 H ILE 90 -6.804 2.310 -1.883 752 HA ILE 90 HA ILE 90 -6.375 3.047 -4.716 753 HB ILE 90 HB ILE 90 -4.480 3.517 -2.400 754 1HG1 ILE 90 1HG1 ILE 90 -6.343 5.139 -2.516 755 2HG1 ILE 90 2HG1 ILE 90 -4.796 5.897 -2.872 756 1HG2 ILE 90 1HG2 ILE 90 -4.104 4.078 -5.347 757 2HG2 ILE 90 2HG2 ILE 90 -3.233 2.883 -4.384 758 3HG2 ILE 90 3HG2 ILE 90 -3.016 4.603 -4.061 759 1HD1 ILE 90 1HD1 ILE 90 -6.558 6.704 -4.337 760 2HD1 ILE 90 2HD1 ILE 90 -6.852 5.061 -4.908 761 3HD1 ILE 90 3HD1 ILE 90 -5.313 5.853 -5.251 762 H VAL 91 H VAL 91 -4.979 1.168 -2.015 763 HA VAL 91 HA VAL 91 -3.262 -0.250 -3.883 764 HB VAL 91 HB VAL 91 -3.450 -0.638 -0.891 765 1HG1 VAL 91 1HG1 VAL 91 -2.298 -2.443 -2.044 766 2HG1 VAL 91 2HG1 VAL 91 -1.147 -1.480 -1.117 767 3HG1 VAL 91 3HG1 VAL 91 -1.255 -1.281 -2.866 768 1HG2 VAL 91 1HG2 VAL 91 -1.564 0.921 -0.699 769 2HG2 VAL 91 2HG2 VAL 91 -2.993 1.712 -1.367 770 3HG2 VAL 91 3HG2 VAL 91 -1.662 1.253 -2.429 771 H TYR 92 H TYR 92 -6.303 -0.806 -2.366 772 HA TYR 92 HA TYR 92 -6.138 -3.572 -1.934 773 1HB TYR 92 1HB TYR 92 -7.991 -1.787 -1.260 774 2HB TYR 92 2HB TYR 92 -8.778 -2.399 -2.710 775 HD1 TYR 92 HD2 TYR 92 -7.111 -5.194 -1.780 776 HD2 TYR 92 HD1 TYR 92 -10.239 -2.712 -0.289 777 HE1 TYR 92 HE2 TYR 92 -7.981 -7.083 -0.476 778 HE2 TYR 92 HE1 TYR 92 -11.112 -4.601 1.021 779 HH TYR 92 HH TYR 92 -9.346 -7.526 1.444 780 HA PRO 93 HA PRO 93 -7.818 -3.991 -6.583 781 1HB PRO 93 1HB PRO 93 -6.310 -1.601 -7.568 782 2HB PRO 93 2HB PRO 93 -7.829 -2.290 -8.153 783 1HG PRO 93 1HG PRO 93 -7.843 -0.069 -6.696 784 2HG PRO 93 2HG PRO 93 -9.082 -1.316 -6.449 785 1HD PRO 93 1HD PRO 93 -6.668 -0.681 -4.792 786 2HD PRO 93 2HD PRO 93 -8.294 -1.175 -4.275 787 H TYR 94 H TYR 94 -4.763 -2.595 -5.507 788 HA TYR 94 HA TYR 94 -3.161 -4.092 -7.365 789 1HB TYR 94 1HB TYR 94 -2.536 -2.254 -5.073 790 2HB TYR 94 2HB TYR 94 -1.267 -3.242 -5.792 791 HD1 TYR 94 HD2 TYR 94 -3.583 -0.437 -6.365 792 HD2 TYR 94 HD1 TYR 94 -0.462 -2.809 -8.029 793 HE1 TYR 94 HE2 TYR 94 -3.271 1.227 -8.139 794 HE2 TYR 94 HE1 TYR 94 -0.156 -1.154 -9.818 795 HH TYR 94 HH TYR 94 -1.480 1.939 -9.713 796 H GLU 95 H GLU 95 -4.312 -4.580 -4.092 797 HA GLU 95 HA GLU 95 -2.733 -6.732 -3.309 798 1HB GLU 95 1HB GLU 95 -4.391 -5.890 -1.776 799 2HB GLU 95 2HB GLU 95 -5.690 -6.184 -2.922 800 1HG GLU 95 1HG GLU 95 -5.743 -7.787 -1.108 801 2HG GLU 95 2HG GLU 95 -5.416 -8.587 -2.643 802 H MET 96 H MET 96 -5.853 -6.904 -4.997 803 HA MET 96 HA MET 96 -5.699 -9.584 -5.770 804 1HB MET 96 1HB MET 96 -7.781 -8.274 -5.806 805 2HB MET 96 2HB MET 96 -7.156 -7.297 -7.127 806 1HG MET 96 1HG MET 96 -8.746 -8.971 -7.910 807 2HG MET 96 2HG MET 96 -7.140 -9.235 -8.589 808 1HE MET 96 1HE MET 96 -8.358 -10.111 -4.931 809 2HE MET 96 2HE MET 96 -8.911 -11.771 -5.150 810 3HE MET 96 3HE MET 96 -9.777 -10.443 -5.924 811 H TYR 97 H TYR 97 -4.614 -6.649 -7.425 812 HA TYR 97 HA TYR 97 -3.937 -7.868 -9.891 813 1HB TYR 97 1HB TYR 97 -4.280 -5.512 -9.852 814 2HB TYR 97 2HB TYR 97 -3.097 -5.285 -8.571 815 HD1 TYR 97 HD2 TYR 97 -3.210 -6.663 -12.069 816 HD2 TYR 97 HD1 TYR 97 -1.077 -4.358 -9.192 817 HE1 TYR 97 HE2 TYR 97 -1.494 -6.150 -13.755 818 HE2 TYR 97 HE1 TYR 97 0.640 -3.840 -10.871 819 HH TYR 97 HH TYR 97 1.514 -4.768 -12.970 820 H GLN 98 H GLN 98 -1.654 -6.538 -7.489 821 HA GLN 98 HA GLN 98 0.611 -7.702 -8.646 822 1HB GLN 98 1HB GLN 98 0.761 -5.766 -7.178 823 2HB GLN 98 2HB GLN 98 0.171 -6.711 -5.818 824 1HG GLN 98 1HG GLN 98 2.179 -8.054 -5.821 825 2HG GLN 98 2HG GLN 98 2.754 -7.250 -7.281 826 1HE2 GLN 98 2HE2 GLN 98 3.576 -5.171 -7.141 827 2HE2 GLN 98 1HE2 GLN 98 4.005 -4.438 -5.637 828 H SER 99 H SER 99 -1.264 -8.732 -5.767 829 HA SER 99 HA SER 99 0.346 -11.037 -5.348 830 1HB SER 99 1HB SER 99 -2.472 -10.485 -4.385 831 2HB SER 99 2HB SER 99 -1.379 -11.714 -3.748 832 HG SER 99 HG SER 99 -1.575 -9.444 -2.740 833 H GLY 100 H GLY 100 -2.668 -10.445 -7.131 834 1HA GLY 100 1HA GLY 100 -3.248 -13.144 -7.746 835 2HA GLY 100 2HA GLY 100 -3.774 -11.744 -8.671 836 H ALA 101 H ALA 101 -0.982 -10.867 -9.112 837 HA ALA 101 HA ALA 101 -0.444 -12.473 -11.454 838 1HB ALA 101 1HB ALA 101 -0.245 -10.027 -11.536 839 2HB ALA 101 2HB ALA 101 1.280 -10.813 -11.940 840 3HB ALA 101 3HB ALA 101 1.056 -10.094 -10.347 841 H ASN 102 H ASN 102 1.044 -11.898 -8.306 842 HA ASN 102 HA ASN 102 3.294 -13.654 -9.004 843 1HB ASN 102 1HB ASN 102 2.891 -11.778 -6.655 844 2HB ASN 102 2HB ASN 102 4.310 -12.796 -6.881 845 1HD2 ASN 102 2HD2 ASN 102 5.680 -11.003 -6.970 846 2HD2 ASN 102 1HD2 ASN 102 5.735 -9.955 -8.343 847 H LEU 103 H LEU 103 1.151 -13.180 -6.170 848 HA LEU 103 HA LEU 103 0.455 -15.874 -5.865 849 1HB LEU 103 1HB LEU 103 1.787 -16.423 -3.816 850 2HB LEU 103 2HB LEU 103 2.723 -16.352 -5.293 851 HG LEU 103 HG LEU 103 3.166 -13.849 -4.427 852 1HD1 LEU 103 1HD1 LEU 103 1.805 -14.059 -2.415 853 2HD1 LEU 103 2HD1 LEU 103 3.502 -13.817 -2.008 854 3HD1 LEU 103 3HD1 LEU 103 2.786 -15.424 -1.881 855 1HD2 LEU 103 1HD2 LEU 103 5.284 -14.656 -3.498 856 2HD2 LEU 103 2HD2 LEU 103 4.882 -15.474 -5.007 857 3HD2 LEU 103 3HD2 LEU 103 4.644 -16.300 -3.466 858 H VAL 104 H VAL 104 -1.390 -15.855 -4.700 859 HA VAL 104 HA VAL 104 -1.790 -13.668 -2.767 860 HB VAL 104 HB VAL 104 -2.828 -12.960 -4.861 861 1HG1 VAL 104 1HG1 VAL 104 -3.238 -15.136 -5.875 862 2HG1 VAL 104 2HG1 VAL 104 -4.714 -14.174 -5.846 863 3HG1 VAL 104 3HG1 VAL 104 -4.488 -15.477 -4.678 864 1HG2 VAL 104 1HG2 VAL 104 -4.879 -13.740 -2.780 865 2HG2 VAL 104 2HG2 VAL 104 -5.094 -12.512 -4.028 866 3HG2 VAL 104 3HG2 VAL 104 -3.883 -12.283 -2.767 867 H CYS 105 H CYS 105 -2.463 -14.373 -0.874 868 HA CYS 105 HA CYS 105 -4.077 -16.840 -0.707 869 1HB CYS 105 1HB CYS 105 -3.445 -16.786 1.725 870 2HB CYS 105 2HB CYS 105 -2.071 -16.971 0.638 871 HG CYS 105 HG CYS 105 -2.988 -14.088 2.247 872 H ASN 106 H ASN 106 -4.310 -13.553 -0.770 873 HA ASN 106 HA ASN 106 -6.351 -13.239 1.286 874 1HB ASN 106 1HB ASN 106 -5.115 -11.176 -0.565 875 2HB ASN 106 2HB ASN 106 -6.092 -10.849 0.866 876 1HD2 ASN 106 2HD2 ASN 106 -3.334 -10.052 0.228 877 2HD2 ASN 106 1HD2 ASN 106 -2.356 -10.666 1.509 878 H THR 107 H THR 107 -6.784 -14.739 -1.307 879 HA THR 107 HA THR 107 -8.285 -13.108 -3.086 880 HB THR 107 HB THR 107 -8.463 -16.119 -2.905 881 HG1 THR 107 HG1 THR 107 -6.567 -14.994 -4.592 882 1HG2 THR 107 1HG2 THR 107 -9.980 -15.037 -4.505 883 2HG2 THR 107 2HG2 THR 107 -8.730 -15.956 -5.345 884 3HG2 THR 107 3HG2 THR 107 -8.612 -14.199 -5.242 885 H ARG 108 H ARG 108 -9.189 -15.359 -0.508 886 HA ARG 108 HA ARG 108 -12.022 -14.985 -1.085 887 1HB ARG 108 1HB ARG 108 -10.647 -16.797 0.910 888 2HB ARG 108 2HB ARG 108 -12.384 -16.743 0.627 889 1HG ARG 108 1HG ARG 108 -12.021 -17.439 -1.701 890 2HG ARG 108 2HG ARG 108 -10.283 -17.513 -1.400 891 1HD ARG 108 1HD ARG 108 -11.264 -19.736 -1.275 892 2HD ARG 108 2HD ARG 108 -10.660 -19.240 0.307 893 HE ARG 108 HE ARG 108 -13.384 -18.560 0.106 894 1HH1 ARG 108 1HH1 ARG 108 -11.363 -21.426 0.339 895 2HH1 ARG 108 2HH1 ARG 108 -12.583 -22.350 1.161 896 1HH2 ARG 108 1HH2 ARG 108 -14.962 -19.791 1.185 897 2HH2 ARG 108 2HH2 ARG 108 -14.608 -21.429 1.651 898 HA PRO 109 HA PRO 109 -11.750 -13.340 3.513 899 1HB PRO 109 1HB PRO 109 -9.340 -12.206 4.188 900 2HB PRO 109 2HB PRO 109 -9.801 -13.862 4.594 901 1HG PRO 109 1HG PRO 109 -8.115 -12.872 2.321 902 2HG PRO 109 2HG PRO 109 -7.846 -14.261 3.392 903 1HD PRO 109 1HD PRO 109 -8.835 -14.577 0.919 904 2HD PRO 109 2HD PRO 109 -9.393 -15.585 2.270 905 H PHE 110 H PHE 110 -10.531 -12.060 0.623 906 HA PHE 110 HA PHE 110 -10.385 -9.352 0.867 907 1HB PHE 110 1HB PHE 110 -10.296 -10.852 -1.237 908 2HB PHE 110 2HB PHE 110 -12.042 -10.669 -1.301 909 HD1 PHE 110 HD1 PHE 110 -12.792 -8.050 -1.093 910 HD2 PHE 110 HD2 PHE 110 -9.078 -9.490 -2.611 911 HE1 PHE 110 HE1 PHE 110 -12.518 -5.980 -2.393 912 HE2 PHE 110 HE2 PHE 110 -8.803 -7.420 -3.910 913 HZ PHE 110 HZ PHE 110 -10.525 -5.662 -3.802 914 H ASP 111 H ASP 111 -13.401 -11.165 0.303 915 HA ASP 111 HA ASP 111 -15.180 -9.025 0.683 916 1HB ASP 111 1HB ASP 111 -15.607 -12.003 1.071 917 2HB ASP 111 2HB ASP 111 -16.903 -10.809 1.053 918 H ASN 112 H ASN 112 -13.643 -11.215 2.919 919 HA ASN 112 HA ASN 112 -15.271 -10.650 5.179 920 1HB ASN 112 1HB ASN 112 -13.976 -12.688 5.133 921 2HB ASN 112 2HB ASN 112 -12.475 -11.791 4.946 922 1HD2 ASN 112 2HD2 ASN 112 -11.511 -10.880 6.726 923 2HD2 ASN 112 1HD2 ASN 112 -12.041 -11.177 8.347 924 H GLU 113 H GLU 113 -12.535 -9.047 3.710 925 HA GLU 113 HA GLU 113 -12.106 -7.314 5.981 926 1HB GLU 113 1HB GLU 113 -10.524 -7.945 3.853 927 2HB GLU 113 2HB GLU 113 -11.161 -6.395 3.324 928 1HG GLU 113 1HG GLU 113 -9.512 -7.007 5.762 929 2HG GLU 113 2HG GLU 113 -9.136 -5.924 4.426 930 H GLU 114 H GLU 114 -13.502 -6.972 2.729 931 HA GLU 114 HA GLU 114 -14.476 -4.394 2.854 932 1HB GLU 114 1HB GLU 114 -15.890 -6.799 1.662 933 2HB GLU 114 2HB GLU 114 -16.274 -5.120 1.309 934 1HG GLU 114 1HG GLU 114 -13.973 -4.848 0.393 935 2HG GLU 114 2HG GLU 114 -13.725 -6.579 0.629 936 H LYS 115 H LYS 115 -15.876 -7.339 4.163 937 HA LYS 115 HA LYS 115 -18.025 -5.861 5.475 938 1HB LYS 115 1HB LYS 115 -17.404 -8.825 5.386 939 2HB LYS 115 2HB LYS 115 -18.820 -8.110 6.149 940 1HG LYS 115 1HG LYS 115 -19.649 -7.343 4.024 941 2HG LYS 115 2HG LYS 115 -18.168 -7.861 3.214 942 1HD LYS 115 1HD LYS 115 -20.014 -9.447 2.864 943 2HD LYS 115 2HD LYS 115 -18.667 -10.186 3.730 944 1HE LYS 115 1HE LYS 115 -19.854 -9.918 5.841 945 2HE LYS 115 2HE LYS 115 -21.182 -9.107 5.010 946 1HZ LYS 115 1HZ LYS 115 -20.327 -11.914 4.563 947 2HZ LYS 115 2HZ LYS 115 -21.607 -11.136 3.783 948 3HZ LYS 115 3HZ LYS 115 -21.683 -11.427 5.446 949 H ASP 116 H ASP 116 -16.039 -4.799 6.589 950 HA ASP 116 HA ASP 116 -14.608 -6.100 8.610 951 1HB ASP 116 1HB ASP 116 -13.986 -3.868 7.841 952 2HB ASP 116 2HB ASP 116 -15.499 -3.205 8.450 953 H LYS 117 H LYS 117 -17.756 -4.525 8.641 954 HA LYS 117 HA LYS 117 -18.346 -5.910 11.170 955 1HB LYS 117 1HB LYS 117 -19.921 -3.914 11.629 956 2HB LYS 117 2HB LYS 117 -18.201 -3.696 11.912 957 1HG LYS 117 1HG LYS 117 -17.949 -2.443 9.888 958 2HG LYS 117 2HG LYS 117 -19.598 -2.824 9.385 959 1HD LYS 117 1HD LYS 117 -20.491 -1.538 11.254 960 2HD LYS 117 2HD LYS 117 -18.856 -1.210 11.834 961 1HE LYS 117 1HE LYS 117 -18.362 0.110 9.891 962 2HE LYS 117 2HE LYS 117 -19.875 -0.366 9.120 963 1HZ LYS 117 1HZ LYS 117 -21.107 0.864 10.721 964 2HZ LYS 117 2HZ LYS 117 -19.898 1.887 10.124 965 3HZ LYS 117 3HZ LYS 117 -19.730 1.179 11.651 Start of MODEL 11 1 1H SER 1 1H SER 1 2.282 14.541 -3.591 2 2H SER 1 2H SER 1 2.309 16.087 -4.275 3 3H SER 1 3H SER 1 3.752 15.337 -3.819 4 HA SER 1 HA SER 1 1.942 14.308 -5.909 5 1HB SER 1 1HB SER 1 4.503 15.914 -6.176 6 2HB SER 1 2HB SER 1 3.624 15.172 -7.515 7 HG SER 1 HG SER 1 3.114 17.413 -7.194 8 H MET 2 H MET 2 3.863 13.202 -7.512 9 HA MET 2 HA MET 2 4.584 10.878 -5.939 10 1HB MET 2 1HB MET 2 4.991 11.449 -8.888 11 2HB MET 2 2HB MET 2 5.219 9.890 -8.106 12 1HG MET 2 1HG MET 2 2.610 11.389 -8.313 13 2HG MET 2 2HG MET 2 3.093 10.017 -9.308 14 1HE MET 2 1HE MET 2 4.528 8.106 -7.213 15 2HE MET 2 2HE MET 2 3.355 7.542 -8.403 16 3HE MET 2 3HE MET 2 3.173 7.096 -6.707 17 H ASN 3 H ASN 3 6.124 13.721 -7.067 18 HA ASN 3 HA ASN 3 8.761 12.874 -7.426 19 1HB ASN 3 1HB ASN 3 7.983 15.115 -8.067 20 2HB ASN 3 2HB ASN 3 7.781 15.540 -6.370 21 1HD2 ASN 3 2HD2 ASN 3 10.056 14.982 -8.940 22 2HD2 ASN 3 1HD2 ASN 3 11.436 15.631 -8.129 23 H GLU 4 H GLU 4 7.027 13.739 -4.475 24 HA GLU 4 HA GLU 4 9.223 13.775 -2.726 25 1HB GLU 4 1HB GLU 4 6.343 13.031 -2.142 26 2HB GLU 4 2HB GLU 4 7.568 13.326 -0.916 27 1HG GLU 4 1HG GLU 4 6.642 15.386 -0.932 28 2HG GLU 4 2HG GLU 4 7.787 15.628 -2.247 29 H LEU 5 H LEU 5 7.532 11.157 -4.215 30 HA LEU 5 HA LEU 5 8.727 9.143 -2.495 31 1HB LEU 5 1HB LEU 5 6.448 8.889 -3.539 32 2HB LEU 5 2HB LEU 5 7.233 8.770 -5.102 33 HG LEU 5 HG LEU 5 8.379 6.715 -4.383 34 1HD1 LEU 5 1HD1 LEU 5 8.562 7.198 -1.999 35 2HD1 LEU 5 2HD1 LEU 5 7.784 5.639 -2.268 36 3HD1 LEU 5 3HD1 LEU 5 6.814 7.042 -1.821 37 1HD2 LEU 5 1HD2 LEU 5 6.433 5.248 -4.325 38 2HD2 LEU 5 2HD2 LEU 5 6.191 6.553 -5.485 39 3HD2 LEU 5 3HD2 LEU 5 5.396 6.613 -3.911 40 H GLU 6 H GLU 6 9.094 10.456 -5.751 41 HA GLU 6 HA GLU 6 11.320 8.774 -6.443 42 1HB GLU 6 1HB GLU 6 9.563 10.366 -7.881 43 2HB GLU 6 2HB GLU 6 11.060 11.278 -7.965 44 1HG GLU 6 1HG GLU 6 10.733 8.391 -8.781 45 2HG GLU 6 2HG GLU 6 10.736 9.763 -9.881 46 H ALA 7 H ALA 7 11.028 11.276 -4.292 47 HA ALA 7 HA ALA 7 13.353 12.723 -4.394 48 1HB ALA 7 1HB ALA 7 12.205 11.371 -1.943 49 2HB ALA 7 2HB ALA 7 11.722 12.943 -2.580 50 3HB ALA 7 3HB ALA 7 13.350 12.713 -1.938 51 H GLN 8 H GLN 8 12.925 9.338 -3.517 52 HA GLN 8 HA GLN 8 15.792 8.844 -3.443 53 1HB GLN 8 1HB GLN 8 13.503 6.851 -3.582 54 2HB GLN 8 2HB GLN 8 15.155 6.533 -3.063 55 1HG GLN 8 1HG GLN 8 14.848 7.897 -1.090 56 2HG GLN 8 2HG GLN 8 13.238 8.369 -1.629 57 1HE2 GLN 8 2HE2 GLN 8 12.214 7.574 0.182 58 2HE2 GLN 8 1HE2 GLN 8 12.055 5.879 0.497 59 H THR 9 H THR 9 16.892 7.700 -5.242 60 HA THR 9 HA THR 9 15.602 8.780 -7.661 61 HB THR 9 HB THR 9 18.562 8.566 -7.087 62 HG1 THR 9 HG1 THR 9 16.700 10.710 -6.797 63 1HG2 THR 9 1HG2 THR 9 18.798 10.124 -8.969 64 2HG2 THR 9 2HG2 THR 9 17.055 10.082 -9.232 65 3HG2 THR 9 3HG2 THR 9 18.021 8.629 -9.492 66 H ARG 10 H ARG 10 15.190 7.585 -9.328 67 HA ARG 10 HA ARG 10 15.480 6.214 -11.111 68 1HB ARG 10 1HB ARG 10 17.795 7.166 -10.971 69 2HB ARG 10 2HB ARG 10 18.270 5.770 -10.017 70 1HG ARG 10 1HG ARG 10 17.771 4.303 -11.916 71 2HG ARG 10 2HG ARG 10 17.285 5.709 -12.870 72 1HD ARG 10 1HD ARG 10 19.532 6.630 -12.692 73 2HD ARG 10 2HD ARG 10 20.026 5.277 -11.676 74 HE ARG 10 HE ARG 10 19.391 5.146 -14.547 75 1HH1 ARG 10 1HH1 ARG 10 20.747 3.689 -11.661 76 2HH1 ARG 10 2HH1 ARG 10 21.538 2.408 -12.530 77 1HH2 ARG 10 1HH2 ARG 10 20.467 3.484 -15.687 78 2HH2 ARG 10 2HH2 ARG 10 21.414 2.321 -14.812 79 H VAL 11 H VAL 11 15.362 5.098 -8.052 80 HA VAL 11 HA VAL 11 14.962 2.343 -9.024 81 HB VAL 11 HB VAL 11 16.412 2.533 -7.029 82 1HG1 VAL 11 1HG1 VAL 11 15.500 3.284 -4.887 83 2HG1 VAL 11 2HG1 VAL 11 13.993 3.738 -5.683 84 3HG1 VAL 11 3HG1 VAL 11 15.491 4.580 -6.084 85 1HG2 VAL 11 1HG2 VAL 11 15.052 0.519 -7.325 86 2HG2 VAL 11 2HG2 VAL 11 13.729 1.270 -6.431 87 3HG2 VAL 11 3HG2 VAL 11 15.249 0.901 -5.614 88 H LYS 12 H LYS 12 13.542 5.241 -7.901 89 HA LYS 12 HA LYS 12 10.929 4.085 -7.433 90 1HB LYS 12 1HB LYS 12 11.924 6.942 -7.446 91 2HB LYS 12 2HB LYS 12 10.262 6.484 -7.096 92 1HG LYS 12 1HG LYS 12 12.659 5.556 -5.511 93 2HG LYS 12 2HG LYS 12 11.632 6.924 -5.076 94 1HD LYS 12 1HD LYS 12 9.682 5.362 -5.034 95 2HD LYS 12 2HD LYS 12 10.802 4.025 -5.300 96 1HE LYS 12 1HE LYS 12 10.917 5.931 -2.959 97 2HE LYS 12 2HE LYS 12 10.163 4.340 -2.917 98 1HZ LYS 12 1HZ LYS 12 13.037 4.888 -3.434 99 2HZ LYS 12 2HZ LYS 12 12.322 3.358 -3.431 100 3HZ LYS 12 3HZ LYS 12 12.380 4.265 -2.004 101 H LEU 13 H LEU 13 12.636 5.870 -9.945 102 HA LEU 13 HA LEU 13 10.656 6.689 -11.626 103 1HB LEU 13 1HB LEU 13 13.290 5.387 -12.311 104 2HB LEU 13 2HB LEU 13 12.236 6.079 -13.531 105 HG LEU 13 HG LEU 13 13.493 7.607 -11.240 106 1HD1 LEU 13 1HD1 LEU 13 14.881 8.644 -12.968 107 2HD1 LEU 13 2HD1 LEU 13 14.170 7.582 -14.184 108 3HD1 LEU 13 3HD1 LEU 13 15.151 6.904 -12.883 109 1HD2 LEU 13 1HD2 LEU 13 11.345 8.556 -11.901 110 2HD2 LEU 13 2HD2 LEU 13 11.851 8.570 -13.591 111 3HD2 LEU 13 3HD2 LEU 13 12.669 9.599 -12.415 112 H ASN 14 H ASN 14 12.194 3.468 -11.947 113 HA ASN 14 HA ASN 14 10.417 2.458 -13.859 114 1HB ASN 14 1HB ASN 14 12.546 1.365 -13.345 115 2HB ASN 14 2HB ASN 14 11.963 0.941 -11.738 116 1HD2 ASN 14 2HD2 ASN 14 11.765 0.236 -15.138 117 2HD2 ASN 14 1HD2 ASN 14 10.929 -1.270 -14.978 118 H TYR 15 H TYR 15 10.328 2.111 -10.332 119 HA TYR 15 HA TYR 15 8.083 0.446 -10.165 120 1HB TYR 15 1HB TYR 15 9.649 0.828 -8.298 121 2HB TYR 15 2HB TYR 15 9.077 2.486 -8.156 122 HD1 TYR 15 HD1 TYR 15 8.133 -1.066 -7.697 123 HD2 TYR 15 HD2 TYR 15 7.047 2.993 -6.980 124 HE1 TYR 15 HE1 TYR 15 6.405 -1.810 -6.116 125 HE2 TYR 15 HE2 TYR 15 5.315 2.254 -5.402 126 HH TYR 15 HH TYR 15 5.153 -0.892 -4.178 127 H LEU 16 H LEU 16 8.370 3.959 -10.213 128 HA LEU 16 HA LEU 16 5.631 4.484 -9.673 129 1HB LEU 16 1HB LEU 16 7.986 6.101 -10.511 130 2HB LEU 16 2HB LEU 16 6.403 6.769 -10.864 131 HG LEU 16 HG LEU 16 5.805 6.743 -8.509 132 1HD1 LEU 16 1HD1 LEU 16 7.413 6.109 -6.776 133 2HD1 LEU 16 2HD1 LEU 16 8.529 5.544 -8.018 134 3HD1 LEU 16 3HD1 LEU 16 6.976 4.738 -7.796 135 1HD2 LEU 16 1HD2 LEU 16 7.394 8.400 -7.669 136 2HD2 LEU 16 2HD2 LEU 16 6.984 8.703 -9.357 137 3HD2 LEU 16 3HD2 LEU 16 8.532 7.964 -8.945 138 H ASP 17 H ASP 17 7.512 3.982 -12.586 139 HA ASP 17 HA ASP 17 5.588 4.768 -14.479 140 1HB ASP 17 1HB ASP 17 7.884 4.272 -15.143 141 2HB ASP 17 2HB ASP 17 7.702 2.596 -14.636 142 H GLN 18 H GLN 18 6.317 1.532 -13.198 143 HA GLN 18 HA GLN 18 4.132 0.221 -14.397 144 1HB GLN 18 1HB GLN 18 6.146 -0.909 -13.485 145 2HB GLN 18 2HB GLN 18 5.623 -0.511 -11.858 146 1HG GLN 18 1HG GLN 18 3.879 -2.142 -13.674 147 2HG GLN 18 2HG GLN 18 5.202 -2.885 -12.783 148 1HE2 GLN 18 2HE2 GLN 18 4.874 -1.146 -10.454 149 2HE2 GLN 18 1HE2 GLN 18 3.449 -1.690 -9.649 150 H ILE 19 H ILE 19 4.530 1.541 -11.126 151 HA ILE 19 HA ILE 19 2.073 0.612 -10.119 152 HB ILE 19 HB ILE 19 4.218 1.540 -8.884 153 1HG1 ILE 19 1HG1 ILE 19 2.770 2.019 -6.848 154 2HG1 ILE 19 2HG1 ILE 19 1.371 1.815 -7.901 155 1HG2 ILE 19 1HG2 ILE 19 2.484 4.010 -8.918 156 2HG2 ILE 19 2HG2 ILE 19 4.032 3.830 -9.742 157 3HG2 ILE 19 3HG2 ILE 19 3.961 3.780 -7.981 158 1HD1 ILE 19 1HD1 ILE 19 2.071 -0.471 -8.382 159 2HD1 ILE 19 2HD1 ILE 19 1.850 -0.208 -6.653 160 3HD1 ILE 19 3HD1 ILE 19 3.476 -0.261 -7.335 161 H ALA 20 H ALA 20 2.981 3.593 -11.766 162 HA ALA 20 HA ALA 20 0.526 4.951 -11.183 163 1HB ALA 20 1HB ALA 20 1.285 6.639 -12.769 164 2HB ALA 20 2HB ALA 20 2.586 5.573 -13.303 165 3HB ALA 20 3HB ALA 20 2.581 6.202 -11.656 166 H LYS 21 H LYS 21 1.864 3.367 -14.087 167 HA LYS 21 HA LYS 21 -0.390 3.973 -15.684 168 1HB LYS 21 1HB LYS 21 1.679 1.799 -16.079 169 2HB LYS 21 2HB LYS 21 0.536 2.345 -17.295 170 1HG LYS 21 1HG LYS 21 2.684 4.066 -16.052 171 2HG LYS 21 2HG LYS 21 2.821 3.239 -17.600 172 1HD LYS 21 1HD LYS 21 2.220 5.386 -18.242 173 2HD LYS 21 2HD LYS 21 0.663 4.562 -18.220 174 1HE LYS 21 1HE LYS 21 0.141 5.521 -16.059 175 2HE LYS 21 2HE LYS 21 1.750 6.231 -15.947 176 1HZ LYS 21 1HZ LYS 21 1.226 7.630 -17.841 177 2HZ LYS 21 2HZ LYS 21 0.097 7.857 -16.607 178 3HZ LYS 21 3HZ LYS 21 -0.312 6.940 -17.964 179 H PHE 22 H PHE 22 0.283 1.298 -13.505 180 HA PHE 22 HA PHE 22 -1.697 -0.461 -14.416 181 1HB PHE 22 1HB PHE 22 -0.114 -1.179 -12.707 182 2HB PHE 22 2HB PHE 22 -0.760 0.003 -11.568 183 HD1 PHE 22 HD1 PHE 22 -1.861 -2.890 -13.657 184 HD2 PHE 22 HD2 PHE 22 -2.400 -0.682 -10.045 185 HE1 PHE 22 HE1 PHE 22 -3.529 -4.531 -12.898 186 HE2 PHE 22 HE2 PHE 22 -4.061 -2.326 -9.289 187 HZ PHE 22 HZ PHE 22 -4.629 -4.251 -10.715 188 H TRP 23 H TRP 23 -1.988 1.760 -11.650 189 HA TRP 23 HA TRP 23 -4.797 1.346 -11.476 190 1HB TRP 23 1HB TRP 23 -3.401 1.793 -9.501 191 2HB TRP 23 2HB TRP 23 -3.048 3.405 -10.108 192 HD1 TRP 23 HD1 TRP 23 -4.214 4.888 -8.352 193 HE1 TRP 23 HE1 TRP 23 -6.627 5.144 -7.503 194 HE3 TRP 23 HE3 TRP 23 -6.318 0.829 -10.638 195 HZ2 TRP 23 HZ2 TRP 23 -9.100 3.796 -7.758 196 HZ3 TRP 23 HZ3 TRP 23 -8.706 0.388 -10.303 197 HH2 TRP 23 HH2 TRP 23 -10.074 1.836 -8.883 198 H GLU 24 H GLU 24 -2.776 3.808 -12.966 199 HA GLU 24 HA GLU 24 -4.857 5.763 -13.134 200 1HB GLU 24 1HB GLU 24 -2.422 6.313 -13.177 201 2HB GLU 24 2HB GLU 24 -2.307 5.571 -14.765 202 1HG GLU 24 1HG GLU 24 -3.831 7.240 -15.675 203 2HG GLU 24 2HG GLU 24 -4.009 7.964 -14.077 204 H ILE 25 H ILE 25 -3.436 3.431 -15.413 205 HA ILE 25 HA ILE 25 -5.225 4.173 -17.543 206 HB ILE 25 HB ILE 25 -3.384 1.775 -17.329 207 1HG1 ILE 25 1HG1 ILE 25 -2.111 3.843 -17.166 208 2HG1 ILE 25 2HG1 ILE 25 -1.850 3.126 -18.752 209 1HG2 ILE 25 1HG2 ILE 25 -3.539 1.694 -19.786 210 2HG2 ILE 25 2HG2 ILE 25 -4.739 2.987 -19.744 211 3HG2 ILE 25 3HG2 ILE 25 -5.101 1.422 -19.015 212 1HD1 ILE 25 1HD1 ILE 25 -3.678 5.437 -18.127 213 2HD1 ILE 25 2HD1 ILE 25 -3.445 4.713 -19.718 214 3HD1 ILE 25 3HD1 ILE 25 -2.103 5.526 -18.914 215 H GLN 26 H GLN 26 -5.483 2.214 -14.783 216 HA GLN 26 HA GLN 26 -7.410 0.341 -15.780 217 1HB GLN 26 1HB GLN 26 -6.033 0.007 -13.698 218 2HB GLN 26 2HB GLN 26 -7.032 1.223 -12.911 219 1HG GLN 26 1HG GLN 26 -8.994 -0.150 -13.149 220 2HG GLN 26 2HG GLN 26 -8.108 -1.324 -14.120 221 1HE2 GLN 26 2HE2 GLN 26 -9.584 -1.671 -11.622 222 2HE2 GLN 26 1HE2 GLN 26 -8.459 -2.352 -10.501 223 H GLY 27 H GLY 27 -7.552 3.596 -15.505 224 1HA GLY 27 1HA GLY 27 -9.526 4.766 -16.199 225 2HA GLY 27 2HA GLY 27 -10.496 3.559 -15.366 226 H SER 28 H SER 28 -7.640 5.235 -14.159 227 HA SER 28 HA SER 28 -9.239 6.829 -12.321 228 1HB SER 28 1HB SER 28 -9.034 4.682 -11.153 229 2HB SER 28 2HB SER 28 -7.286 4.701 -11.382 230 HG SER 28 HG SER 28 -7.279 5.662 -9.526 231 H SER 29 H SER 29 -7.464 7.851 -10.692 232 HA SER 29 HA SER 29 -5.081 8.635 -12.236 233 1HB SER 29 1HB SER 29 -5.354 10.938 -11.262 234 2HB SER 29 2HB SER 29 -6.646 10.493 -12.378 235 HG SER 29 HG SER 29 -6.789 10.276 -9.545 236 H LEU 30 H LEU 30 -3.385 7.834 -11.122 237 HA LEU 30 HA LEU 30 -3.615 7.120 -8.363 238 1HB LEU 30 1HB LEU 30 -2.214 5.828 -9.926 239 2HB LEU 30 2HB LEU 30 -1.151 7.212 -10.113 240 HG LEU 30 HG LEU 30 -0.570 7.077 -7.706 241 1HD1 LEU 30 1HD1 LEU 30 -2.608 6.045 -6.867 242 2HD1 LEU 30 2HD1 LEU 30 -1.194 5.096 -6.412 243 3HD1 LEU 30 3HD1 LEU 30 -2.229 4.555 -7.733 244 1HD2 LEU 30 1HD2 LEU 30 -0.128 4.509 -9.229 245 2HD2 LEU 30 2HD2 LEU 30 0.813 5.071 -7.846 246 3HD2 LEU 30 3HD2 LEU 30 0.846 5.976 -9.358 247 H LYS 31 H LYS 31 -3.733 8.652 -6.896 248 HA LYS 31 HA LYS 31 -1.567 10.631 -6.757 249 1HB LYS 31 1HB LYS 31 -3.296 12.233 -5.768 250 2HB LYS 31 2HB LYS 31 -3.373 11.968 -7.505 251 1HG LYS 31 1HG LYS 31 -5.259 10.493 -7.259 252 2HG LYS 31 2HG LYS 31 -5.126 10.548 -5.500 253 1HD LYS 31 1HD LYS 31 -5.676 12.969 -7.224 254 2HD LYS 31 2HD LYS 31 -6.938 11.993 -6.470 255 1HE LYS 31 1HE LYS 31 -4.740 13.471 -5.013 256 2HE LYS 31 2HE LYS 31 -6.421 13.988 -5.139 257 1HZ LYS 31 1HZ LYS 31 -6.091 12.920 -3.041 258 2HZ LYS 31 2HZ LYS 31 -5.406 11.558 -3.769 259 3HZ LYS 31 3HZ LYS 31 -7.047 11.900 -4.000 260 H ILE 32 H ILE 32 -0.517 9.346 -5.245 261 HA ILE 32 HA ILE 32 -1.870 8.494 -2.843 262 HB ILE 32 HB ILE 32 0.363 7.699 -2.101 263 1HG1 ILE 32 1HG1 ILE 32 1.297 8.755 -4.791 264 2HG1 ILE 32 2HG1 ILE 32 1.767 9.386 -3.216 265 1HG2 ILE 32 1HG2 ILE 32 -0.419 6.830 -4.888 266 2HG2 ILE 32 2HG2 ILE 32 -1.117 6.239 -3.380 267 3HG2 ILE 32 3HG2 ILE 32 0.573 5.908 -3.758 268 1HD1 ILE 32 1HD1 ILE 32 2.395 6.639 -4.280 269 2HD1 ILE 32 2HD1 ILE 32 2.860 7.263 -2.696 270 3HD1 ILE 32 3HD1 ILE 32 3.513 7.998 -4.159 271 HA PRO 33 HA PRO 33 -1.053 12.233 -0.665 272 1HB PRO 33 1HB PRO 33 -2.062 11.564 1.711 273 2HB PRO 33 2HB PRO 33 -3.096 11.609 0.275 274 1HG PRO 33 1HG PRO 33 -1.881 9.254 1.665 275 2HG PRO 33 2HG PRO 33 -3.498 9.427 0.957 276 1HD PRO 33 1HD PRO 33 -1.306 8.207 -0.277 277 2HD PRO 33 2HD PRO 33 -2.767 8.780 -1.105 278 H ASN 34 H ASN 34 -0.080 13.050 1.363 279 HA ASN 34 HA ASN 34 2.007 11.309 2.484 280 1HB ASN 34 1HB ASN 34 3.512 13.208 2.698 281 2HB ASN 34 2HB ASN 34 3.050 13.008 1.018 282 1HD2 ASN 34 2HD2 ASN 34 1.722 14.553 0.048 283 2HD2 ASN 34 1HD2 ASN 34 1.441 16.102 0.760 284 H VAL 35 H VAL 35 2.425 11.540 4.613 285 HA VAL 35 HA VAL 35 0.658 13.282 6.157 286 HB VAL 35 HB VAL 35 -0.467 11.106 6.098 287 1HG1 VAL 35 1HG1 VAL 35 1.457 9.682 5.665 288 2HG1 VAL 35 2HG1 VAL 35 0.543 9.105 7.059 289 3HG1 VAL 35 3HG1 VAL 35 2.058 9.977 7.298 290 1HG2 VAL 35 1HG2 VAL 35 -0.671 10.710 8.513 291 2HG2 VAL 35 2HG2 VAL 35 -0.677 12.430 8.129 292 3HG2 VAL 35 3HG2 VAL 35 0.774 11.682 8.790 293 H GLU 36 H GLU 36 1.640 14.205 7.876 294 HA GLU 36 HA GLU 36 3.293 14.910 9.252 295 1HB GLU 36 1HB GLU 36 4.433 12.118 9.003 296 2HB GLU 36 2HB GLU 36 4.795 13.296 10.252 297 1HG GLU 36 1HG GLU 36 2.250 11.763 9.821 298 2HG GLU 36 2HG GLU 36 3.315 11.739 11.221 299 H ARG 37 H ARG 37 3.477 14.881 6.315 300 HA ARG 37 HA ARG 37 4.816 15.685 4.684 301 1HB ARG 37 1HB ARG 37 6.759 16.018 6.963 302 2HB ARG 37 2HB ARG 37 7.238 16.339 5.303 303 1HG ARG 37 1HG ARG 37 6.631 18.413 6.300 304 2HG ARG 37 2HG ARG 37 5.368 17.987 5.147 305 1HD ARG 37 1HD ARG 37 3.997 17.127 7.019 306 2HD ARG 37 2HD ARG 37 5.250 17.643 8.147 307 HE ARG 37 HE ARG 37 3.276 19.283 6.876 308 1HH1 ARG 37 1HH1 ARG 37 6.496 19.302 8.249 309 2HH1 ARG 37 2HH1 ARG 37 6.471 20.993 8.618 310 1HH2 ARG 37 1HH2 ARG 37 3.234 21.511 7.374 311 2HH2 ARG 37 2HH2 ARG 37 4.613 22.249 8.128 312 H ARG 38 H ARG 38 4.969 12.829 6.027 313 HA ARG 38 HA ARG 38 7.157 11.789 4.357 314 1HB ARG 38 1HB ARG 38 7.161 11.127 6.737 315 2HB ARG 38 2HB ARG 38 5.542 10.471 6.562 316 1HG ARG 38 1HG ARG 38 7.095 8.661 6.553 317 2HG ARG 38 2HG ARG 38 6.438 8.826 4.927 318 1HD ARG 38 1HD ARG 38 8.898 8.399 5.010 319 2HD ARG 38 2HD ARG 38 8.446 9.865 4.144 320 HE ARG 38 HE ARG 38 9.870 10.927 5.553 321 1HH1 ARG 38 1HH1 ARG 38 8.396 8.331 7.427 322 2HH1 ARG 38 2HH1 ARG 38 9.189 8.797 8.896 323 1HH2 ARG 38 1HH2 ARG 38 10.950 11.463 7.471 324 2HH2 ARG 38 2HH2 ARG 38 10.647 10.555 8.921 325 H ILE 39 H ILE 39 6.466 11.306 2.356 326 HA ILE 39 HA ILE 39 3.754 10.913 1.662 327 HB ILE 39 HB ILE 39 5.412 11.777 0.059 328 1HG1 ILE 39 1HG1 ILE 39 4.135 9.178 -0.856 329 2HG1 ILE 39 2HG1 ILE 39 3.324 10.738 -0.772 330 1HG2 ILE 39 1HG2 ILE 39 7.327 10.418 0.689 331 2HG2 ILE 39 2HG2 ILE 39 7.005 10.258 -1.036 332 3HG2 ILE 39 3HG2 ILE 39 6.531 8.969 0.070 333 1HD1 ILE 39 1HD1 ILE 39 3.964 10.199 -3.044 334 2HD1 ILE 39 2HD1 ILE 39 5.651 10.044 -2.553 335 3HD1 ILE 39 3HD1 ILE 39 4.848 11.613 -2.472 336 H LEU 40 H LEU 40 2.678 9.037 0.933 337 HA LEU 40 HA LEU 40 3.198 6.713 2.475 338 1HB LEU 40 1HB LEU 40 0.940 7.408 1.787 339 2HB LEU 40 2HB LEU 40 1.352 7.108 0.110 340 HG LEU 40 HG LEU 40 1.567 4.712 0.559 341 1HD1 LEU 40 1HD1 LEU 40 2.368 4.819 2.858 342 2HD1 LEU 40 2HD1 LEU 40 0.951 3.778 2.736 343 3HD1 LEU 40 3HD1 LEU 40 0.793 5.407 3.395 344 1HD2 LEU 40 1HD2 LEU 40 -0.626 5.584 -0.085 345 2HD2 LEU 40 2HD2 LEU 40 -1.026 5.867 1.611 346 3HD2 LEU 40 3HD2 LEU 40 -0.790 4.220 1.020 347 H ASP 41 H ASP 41 5.051 5.644 2.073 348 HA ASP 41 HA ASP 41 6.112 5.301 -0.569 349 1HB ASP 41 1HB ASP 41 7.638 5.503 1.326 350 2HB ASP 41 2HB ASP 41 6.953 4.058 2.065 351 H LEU 42 H LEU 42 4.892 4.117 -1.871 352 HA LEU 42 HA LEU 42 3.335 1.895 -1.185 353 1HB LEU 42 1HB LEU 42 4.496 2.758 -3.832 354 2HB LEU 42 2HB LEU 42 3.352 1.444 -3.661 355 HG LEU 42 HG LEU 42 2.828 4.345 -2.969 356 1HD1 LEU 42 1HD1 LEU 42 2.949 3.959 -5.374 357 2HD1 LEU 42 2HD1 LEU 42 1.290 4.289 -4.873 358 3HD1 LEU 42 3HD1 LEU 42 1.789 2.636 -5.234 359 1HD2 LEU 42 1HD2 LEU 42 0.508 3.641 -2.611 360 2HD2 LEU 42 2HD2 LEU 42 1.602 2.836 -1.487 361 3HD2 LEU 42 3HD2 LEU 42 0.970 1.960 -2.883 362 H TYR 43 H TYR 43 6.707 2.147 -2.019 363 HA TYR 43 HA TYR 43 7.272 -0.466 -2.784 364 1HB TYR 43 1HB TYR 43 8.806 1.830 -1.860 365 2HB TYR 43 2HB TYR 43 9.489 0.334 -1.239 366 HD1 TYR 43 HD2 TYR 43 9.734 -1.589 -3.075 367 HD2 TYR 43 HD1 TYR 43 9.550 2.579 -3.925 368 HE1 TYR 43 HE2 TYR 43 10.871 -1.982 -5.220 369 HE2 TYR 43 HE1 TYR 43 10.686 2.196 -6.070 370 HH TYR 43 HH TYR 43 12.072 0.604 -7.171 371 H SER 44 H SER 44 7.796 0.874 0.485 372 HA SER 44 HA SER 44 8.227 -1.604 1.720 373 1HB SER 44 1HB SER 44 7.217 0.974 2.960 374 2HB SER 44 2HB SER 44 7.880 -0.398 3.848 375 HG SER 44 HG SER 44 9.163 1.549 2.342 376 H LEU 45 H LEU 45 5.284 0.321 1.349 377 HA LEU 45 HA LEU 45 3.572 -1.160 2.961 378 1HB LEU 45 1HB LEU 45 2.962 1.003 1.990 379 2HB LEU 45 2HB LEU 45 2.962 0.303 0.382 380 HG LEU 45 HG LEU 45 1.046 -1.136 1.021 381 1HD1 LEU 45 1HD1 LEU 45 1.456 -1.300 3.416 382 2HD1 LEU 45 2HD1 LEU 45 -0.168 -0.688 3.105 383 3HD1 LEU 45 3HD1 LEU 45 1.109 0.418 3.611 384 1HD2 LEU 45 1HD2 LEU 45 0.597 1.818 1.483 385 2HD2 LEU 45 2HD2 LEU 45 -0.644 0.636 1.066 386 3HD2 LEU 45 3HD2 LEU 45 0.642 1.005 -0.083 387 H SER 46 H SER 46 4.276 -1.544 -0.506 388 HA SER 46 HA SER 46 2.510 -3.704 -0.911 389 1HB SER 46 1HB SER 46 3.394 -2.292 -2.752 390 2HB SER 46 2HB SER 46 4.992 -2.993 -2.505 391 HG SER 46 HG SER 46 3.258 -4.989 -2.763 392 H LYS 47 H LYS 47 6.036 -3.614 -0.274 393 HA LYS 47 HA LYS 47 6.353 -6.420 -0.576 394 1HB LYS 47 1HB LYS 47 8.575 -6.143 0.363 395 2HB LYS 47 2HB LYS 47 8.252 -4.864 -0.798 396 1HG LYS 47 1HG LYS 47 7.882 -3.275 0.970 397 2HG LYS 47 2HG LYS 47 8.009 -4.543 2.192 398 1HD LYS 47 1HD LYS 47 10.234 -3.715 0.312 399 2HD LYS 47 2HD LYS 47 10.072 -3.176 1.984 400 1HE LYS 47 1HE LYS 47 10.240 -5.511 2.744 401 2HE LYS 47 2HE LYS 47 10.419 -6.037 1.070 402 1HZ LYS 47 1HZ LYS 47 12.290 -4.214 2.489 403 2HZ LYS 47 2HZ LYS 47 12.471 -4.814 0.919 404 3HZ LYS 47 3HZ LYS 47 12.544 -5.867 2.239 405 H ILE 48 H ILE 48 5.577 -4.357 2.167 406 HA ILE 48 HA ILE 48 5.933 -6.375 4.152 407 HB ILE 48 HB ILE 48 4.314 -3.822 4.203 408 1HG1 ILE 48 1HG1 ILE 48 6.951 -4.573 5.505 409 2HG1 ILE 48 2HG1 ILE 48 6.765 -3.540 4.090 410 1HG2 ILE 48 1HG2 ILE 48 3.299 -5.407 5.747 411 2HG2 ILE 48 2HG2 ILE 48 4.143 -4.144 6.641 412 3HG2 ILE 48 3HG2 ILE 48 4.873 -5.740 6.472 413 1HD1 ILE 48 1HD1 ILE 48 7.158 -2.214 6.064 414 2HD1 ILE 48 2HD1 ILE 48 5.774 -2.948 6.870 415 3HD1 ILE 48 3HD1 ILE 48 5.530 -1.921 5.457 416 H VAL 49 H VAL 49 3.020 -5.120 2.492 417 HA VAL 49 HA VAL 49 1.157 -6.784 3.746 418 HB VAL 49 HB VAL 49 1.087 -5.659 0.925 419 1HG1 VAL 49 1HG1 VAL 49 -1.345 -6.032 1.009 420 2HG1 VAL 49 2HG1 VAL 49 -1.163 -6.849 2.562 421 3HG1 VAL 49 3HG1 VAL 49 -0.451 -7.550 1.108 422 1HG2 VAL 49 1HG2 VAL 49 1.225 -3.949 2.671 423 2HG2 VAL 49 2HG2 VAL 49 -0.160 -4.665 3.495 424 3HG2 VAL 49 3HG2 VAL 49 -0.363 -3.935 1.902 425 H VAL 50 H VAL 50 3.108 -7.330 0.815 426 HA VAL 50 HA VAL 50 2.069 -9.901 0.212 427 HB VAL 50 HB VAL 50 4.774 -8.723 -0.487 428 1HG1 VAL 50 1HG1 VAL 50 4.834 -11.150 -0.678 429 2HG1 VAL 50 2HG1 VAL 50 4.834 -10.415 -2.281 430 3HG1 VAL 50 3HG1 VAL 50 3.355 -11.133 -1.641 431 1HG2 VAL 50 1HG2 VAL 50 3.752 -8.230 -2.662 432 2HG2 VAL 50 2HG2 VAL 50 2.910 -7.404 -1.351 433 3HG2 VAL 50 3HG2 VAL 50 2.207 -8.849 -2.076 434 H GLU 51 H GLU 51 4.791 -8.805 2.181 435 HA GLU 51 HA GLU 51 5.891 -11.318 2.817 436 1HB GLU 51 1HB GLU 51 7.025 -9.170 3.258 437 2HB GLU 51 2HB GLU 51 5.817 -8.774 4.471 438 1HG GLU 51 1HG GLU 51 6.562 -10.645 5.844 439 2HG GLU 51 2HG GLU 51 7.750 -11.084 4.616 440 H GLU 52 H GLU 52 3.300 -9.428 4.215 441 HA GLU 52 HA GLU 52 2.706 -11.203 6.376 442 1HB GLU 52 1HB GLU 52 1.123 -8.991 5.045 443 2HB GLU 52 2HB GLU 52 0.618 -9.814 6.510 444 1HG GLU 52 1HG GLU 52 3.230 -8.341 6.281 445 2HG GLU 52 2HG GLU 52 1.733 -7.575 6.811 446 H GLY 53 H GLY 53 1.674 -10.827 3.058 447 1HA GLY 53 1HA GLY 53 0.457 -12.163 1.659 448 2HA GLY 53 2HA GLY 53 0.740 -13.466 2.803 449 H GLY 54 H GLY 54 -0.949 -10.476 3.615 450 1HA GLY 54 1HA GLY 54 -3.567 -11.290 3.085 451 2HA GLY 54 2HA GLY 54 -3.160 -11.863 4.694 452 H TYR 55 H TYR 55 -3.955 -9.124 2.738 453 HA TYR 55 HA TYR 55 -3.534 -6.967 4.386 454 1HB TYR 55 1HB TYR 55 -4.512 -6.647 2.226 455 2HB TYR 55 2HB TYR 55 -5.886 -7.669 2.619 456 HD1 TYR 55 HD2 TYR 55 -4.312 -4.654 4.223 457 HD2 TYR 55 HD1 TYR 55 -7.840 -6.477 2.694 458 HE1 TYR 55 HE2 TYR 55 -5.611 -2.661 4.853 459 HE2 TYR 55 HE1 TYR 55 -9.143 -4.488 3.314 460 HH TYR 55 HH TYR 55 -9.062 -2.626 4.783 461 H GLU 56 H GLU 56 -6.287 -9.217 4.496 462 HA GLU 56 HA GLU 56 -7.637 -8.237 6.704 463 1HB GLU 56 1HB GLU 56 -8.504 -10.081 5.331 464 2HB GLU 56 2HB GLU 56 -7.231 -11.138 5.927 465 1HG GLU 56 1HG GLU 56 -8.233 -10.566 8.273 466 2HG GLU 56 2HG GLU 56 -9.657 -10.107 7.342 467 H ALA 57 H ALA 57 -4.874 -10.463 6.589 468 HA ALA 57 HA ALA 57 -4.885 -11.191 9.298 469 1HB ALA 57 1HB ALA 57 -2.601 -11.983 8.924 470 2HB ALA 57 2HB ALA 57 -2.531 -11.090 7.403 471 3HB ALA 57 3HB ALA 57 -3.654 -12.438 7.584 472 H ILE 58 H ILE 58 -3.043 -8.674 7.591 473 HA ILE 58 HA ILE 58 -1.650 -7.705 9.849 474 HB ILE 58 HB ILE 58 -2.478 -5.861 7.623 475 1HG1 ILE 58 1HG1 ILE 58 -0.246 -7.901 7.400 476 2HG1 ILE 58 2HG1 ILE 58 -1.803 -8.041 6.588 477 1HG2 ILE 58 1HG2 ILE 58 -1.162 -4.934 9.444 478 2HG2 ILE 58 2HG2 ILE 58 -0.212 -4.960 7.959 479 3HG2 ILE 58 3HG2 ILE 58 0.074 -6.171 9.209 480 1HD1 ILE 58 1HD1 ILE 58 -1.340 -5.982 5.356 481 2HD1 ILE 58 2HD1 ILE 58 -0.104 -7.209 5.079 482 3HD1 ILE 58 3HD1 ILE 58 0.224 -5.856 6.163 483 H CYS 59 H CYS 59 -4.761 -6.907 8.421 484 HA CYS 59 HA CYS 59 -5.293 -4.606 9.994 485 1HB CYS 59 1HB CYS 59 -6.375 -5.097 7.816 486 2HB CYS 59 2HB CYS 59 -7.239 -6.437 8.563 487 HG CYS 59 HG CYS 59 -9.286 -4.895 8.822 488 H LYS 60 H LYS 60 -6.069 -8.026 10.360 489 HA LYS 60 HA LYS 60 -7.809 -7.565 12.620 490 1HB LYS 60 1HB LYS 60 -8.297 -9.334 11.000 491 2HB LYS 60 2HB LYS 60 -6.771 -10.121 11.371 492 1HG LYS 60 1HG LYS 60 -7.511 -10.782 13.512 493 2HG LYS 60 2HG LYS 60 -8.900 -9.693 13.454 494 1HD LYS 60 1HD LYS 60 -9.461 -12.108 13.072 495 2HD LYS 60 2HD LYS 60 -9.969 -11.027 11.772 496 1HE LYS 60 1HE LYS 60 -7.913 -11.659 10.519 497 2HE LYS 60 2HE LYS 60 -7.533 -12.817 11.792 498 1HZ LYS 60 1HZ LYS 60 -10.030 -12.868 10.190 499 2HZ LYS 60 2HZ LYS 60 -9.495 -14.042 11.282 500 3HZ LYS 60 3HZ LYS 60 -8.656 -13.789 9.837 501 H ASP 61 H ASP 61 -4.488 -8.479 12.046 502 HA ASP 61 HA ASP 61 -3.971 -9.000 14.861 503 1HB ASP 61 1HB ASP 61 -2.732 -10.184 13.009 504 2HB ASP 61 2HB ASP 61 -1.971 -8.650 12.603 505 H ARG 62 H ARG 62 -4.170 -6.358 12.748 506 HA ARG 62 HA ARG 62 -3.808 -4.131 12.930 507 1HB ARG 62 1HB ARG 62 -3.447 -4.783 15.871 508 2HB ARG 62 2HB ARG 62 -3.624 -3.159 15.214 509 1HG ARG 62 1HG ARG 62 -5.864 -3.610 14.501 510 2HG ARG 62 2HG ARG 62 -5.697 -5.325 14.888 511 1HD ARG 62 1HD ARG 62 -5.660 -3.036 16.860 512 2HD ARG 62 2HD ARG 62 -6.988 -4.168 16.602 513 HE ARG 62 HE ARG 62 -4.539 -4.640 18.064 514 1HH1 ARG 62 1HH1 ARG 62 -7.263 -6.138 16.440 515 2HH1 ARG 62 2HH1 ARG 62 -7.156 -7.606 17.360 516 1HH2 ARG 62 1HH2 ARG 62 -4.405 -6.562 19.270 517 2HH2 ARG 62 2HH2 ARG 62 -5.532 -7.848 18.973 518 H ARG 63 H ARG 63 -1.674 -5.913 12.278 519 HA ARG 63 HA ARG 63 0.695 -5.090 13.717 520 1HB ARG 63 1HB ARG 63 0.246 -7.410 12.727 521 2HB ARG 63 2HB ARG 63 0.606 -6.698 11.159 522 1HG ARG 63 1HG ARG 63 2.850 -6.144 11.884 523 2HG ARG 63 2HG ARG 63 2.497 -6.727 13.512 524 1HD ARG 63 1HD ARG 63 2.533 -8.381 10.987 525 2HD ARG 63 2HD ARG 63 3.760 -8.388 12.251 526 HE ARG 63 HE ARG 63 1.796 -9.149 13.727 527 1HH1 ARG 63 1HH1 ARG 63 2.070 -9.940 10.321 528 2HH1 ARG 63 2HH1 ARG 63 1.316 -11.494 10.500 529 1HH2 ARG 63 1HH2 ARG 63 0.790 -11.183 13.949 530 2HH2 ARG 63 2HH2 ARG 63 0.578 -12.192 12.552 531 H TRP 64 H TRP 64 -1.126 -3.498 11.567 532 HA TRP 64 HA TRP 64 0.652 -2.389 9.720 533 1HB TRP 64 1HB TRP 64 -1.651 -1.037 11.158 534 2HB TRP 64 2HB TRP 64 -0.819 -0.377 9.754 535 HD1 TRP 64 HD1 TRP 64 -3.782 -2.330 10.636 536 HE1 TRP 64 HE1 TRP 64 -4.798 -3.452 8.561 537 HE3 TRP 64 HE3 TRP 64 0.129 -1.760 7.361 538 HZ2 TRP 64 HZ2 TRP 64 -4.063 -4.021 5.915 539 HZ3 TRP 64 HZ3 TRP 64 -0.124 -2.622 5.077 540 HH2 TRP 64 HH2 TRP 64 -2.179 -3.735 4.369 541 H ALA 65 H ALA 65 0.510 -2.131 13.125 542 HA ALA 65 HA ALA 65 1.703 0.292 13.687 543 1HB ALA 65 1HB ALA 65 2.230 -2.349 15.056 544 2HB ALA 65 2HB ALA 65 0.887 -1.260 15.400 545 3HB ALA 65 3HB ALA 65 2.541 -0.748 15.731 546 H ARG 66 H ARG 66 3.302 -2.802 12.849 547 HA ARG 66 HA ARG 66 5.923 -1.675 13.002 548 1HB ARG 66 1HB ARG 66 6.769 -3.730 12.203 549 2HB ARG 66 2HB ARG 66 5.386 -4.146 13.201 550 1HG ARG 66 1HG ARG 66 4.059 -4.679 11.305 551 2HG ARG 66 2HG ARG 66 5.219 -3.939 10.197 552 1HD ARG 66 1HD ARG 66 6.878 -5.651 10.810 553 2HD ARG 66 2HD ARG 66 5.709 -6.390 11.898 554 HE ARG 66 HE ARG 66 4.362 -6.914 9.904 555 1HH1 ARG 66 1HH1 ARG 66 7.727 -6.066 9.360 556 2HH1 ARG 66 2HH1 ARG 66 7.888 -7.110 7.982 557 1HH2 ARG 66 1HH2 ARG 66 4.613 -8.302 8.086 558 2HH2 ARG 66 2HH2 ARG 66 6.140 -8.356 7.264 559 H VAL 67 H VAL 67 3.481 -1.741 10.580 560 HA VAL 67 HA VAL 67 5.160 -1.227 8.321 561 HB VAL 67 HB VAL 67 2.215 -0.589 8.654 562 1HG1 VAL 67 1HG1 VAL 67 3.872 -0.961 6.153 563 2HG1 VAL 67 2HG1 VAL 67 3.242 0.570 6.762 564 3HG1 VAL 67 3HG1 VAL 67 2.130 -0.683 6.207 565 1HG2 VAL 67 1HG2 VAL 67 2.626 -2.950 9.096 566 2HG2 VAL 67 2HG2 VAL 67 3.524 -3.094 7.585 567 3HG2 VAL 67 3HG2 VAL 67 1.795 -2.747 7.553 568 H ALA 68 H ALA 68 3.105 0.802 10.401 569 HA ALA 68 HA ALA 68 3.756 3.275 9.242 570 1HB ALA 68 1HB ALA 68 2.918 4.275 11.322 571 2HB ALA 68 2HB ALA 68 2.938 2.689 12.096 572 3HB ALA 68 3HB ALA 68 1.845 2.998 10.745 573 H GLN 69 H GLN 69 5.201 1.478 11.929 574 HA GLN 69 HA GLN 69 7.223 3.339 12.566 575 1HB GLN 69 1HB GLN 69 6.528 1.413 14.001 576 2HB GLN 69 2HB GLN 69 7.313 0.323 12.865 577 1HG GLN 69 1HG GLN 69 9.471 1.399 13.335 578 2HG GLN 69 2HG GLN 69 8.674 2.474 14.484 579 1HE2 GLN 69 2HE2 GLN 69 10.821 0.584 14.936 580 2HE2 GLN 69 1HE2 GLN 69 10.260 -0.522 16.145 581 H ARG 70 H ARG 70 7.035 0.718 10.221 582 HA ARG 70 HA ARG 70 9.703 0.640 9.370 583 1HB ARG 70 1HB ARG 70 7.637 -0.861 8.767 584 2HB ARG 70 2HB ARG 70 7.393 0.283 7.461 585 1HG ARG 70 1HG ARG 70 9.951 -1.260 7.872 586 2HG ARG 70 2HG ARG 70 8.620 -1.822 6.868 587 1HD ARG 70 1HD ARG 70 9.955 -0.836 5.284 588 2HD ARG 70 2HD ARG 70 8.916 0.524 5.709 589 HE ARG 70 HE ARG 70 10.996 0.841 7.391 590 1HH1 ARG 70 1HH1 ARG 70 10.798 0.401 3.918 591 2HH1 ARG 70 2HH1 ARG 70 12.317 1.186 3.613 592 1HH2 ARG 70 1HH2 ARG 70 12.958 1.892 6.994 593 2HH2 ARG 70 2HH2 ARG 70 13.551 2.032 5.366 594 H LEU 71 H LEU 71 6.947 2.553 8.172 595 HA LEU 71 HA LEU 71 8.597 4.039 6.335 596 1HB LEU 71 1HB LEU 71 5.707 4.230 7.156 597 2HB LEU 71 2HB LEU 71 6.447 5.472 6.164 598 HG LEU 71 HG LEU 71 7.005 3.729 4.464 599 1HD1 LEU 71 1HD1 LEU 71 5.297 1.930 6.183 600 2HD1 LEU 71 2HD1 LEU 71 7.032 1.767 5.909 601 3HD1 LEU 71 3HD1 LEU 71 5.906 1.554 4.570 602 1HD2 LEU 71 1HD2 LEU 71 4.077 3.977 5.167 603 2HD2 LEU 71 2HD2 LEU 71 4.726 3.496 3.598 604 3HD2 LEU 71 3HD2 LEU 71 5.021 5.121 4.211 605 H ASN 72 H ASN 72 8.630 4.118 9.536 606 HA ASN 72 HA ASN 72 9.611 5.526 11.008 607 1HB ASN 72 1HB ASN 72 10.288 7.013 8.462 608 2HB ASN 72 2HB ASN 72 10.808 7.578 10.043 609 1HD2 ASN 72 2HD2 ASN 72 10.612 4.177 9.168 610 2HD2 ASN 72 1HD2 ASN 72 12.311 3.891 9.183 611 H TYR 73 H TYR 73 6.778 5.784 10.385 612 HA TYR 73 HA TYR 73 6.085 8.558 10.573 613 1HB TYR 73 1HB TYR 73 4.499 6.028 11.061 614 2HB TYR 73 2HB TYR 73 3.807 7.635 11.245 615 HD1 TYR 73 HD1 TYR 73 4.704 9.157 9.011 616 HD2 TYR 73 HD2 TYR 73 3.682 5.028 9.133 617 HE1 TYR 73 HE1 TYR 73 4.158 9.225 6.618 618 HE2 TYR 73 HE2 TYR 73 3.138 5.083 6.740 619 HH TYR 73 HH TYR 73 3.946 7.763 4.734 620 HA PRO 74 HA PRO 74 6.669 9.391 14.881 621 1HB PRO 74 1HB PRO 74 4.025 10.764 14.789 622 2HB PRO 74 2HB PRO 74 5.606 11.395 15.267 623 1HG PRO 74 1HG PRO 74 4.533 12.084 12.933 624 2HG PRO 74 2HG PRO 74 6.273 11.753 13.063 625 1HD PRO 74 1HD PRO 74 4.086 9.995 11.991 626 2HD PRO 74 2HD PRO 74 5.720 10.274 11.351 627 HA PRO 75 HA PRO 75 4.488 6.414 17.337 628 1HB PRO 75 1HB PRO 75 4.431 8.461 19.505 629 2HB PRO 75 2HB PRO 75 5.087 6.820 19.523 630 1HG PRO 75 1HG PRO 75 6.708 8.933 19.418 631 2HG PRO 75 2HG PRO 75 7.069 7.461 18.494 632 1HD PRO 75 1HD PRO 75 5.930 10.066 17.546 633 2HD PRO 75 2HD PRO 75 7.115 9.001 16.760 634 H GLY 76 H GLY 76 2.467 5.959 18.319 635 1HA GLY 76 1HA GLY 76 0.283 6.837 19.082 636 2HA GLY 76 2HA GLY 76 0.366 7.962 17.731 637 H LYS 77 H LYS 77 1.372 6.217 15.797 638 HA LYS 77 HA LYS 77 0.855 4.609 14.288 639 1HB LYS 77 1HB LYS 77 -0.656 3.369 16.600 640 2HB LYS 77 2HB LYS 77 -0.319 2.562 15.072 641 1HG LYS 77 1HG LYS 77 2.041 2.589 15.495 642 2HG LYS 77 2HG LYS 77 1.828 3.617 16.911 643 1HD LYS 77 1HD LYS 77 0.757 0.801 16.634 644 2HD LYS 77 2HD LYS 77 2.233 1.244 17.494 645 1HE LYS 77 1HE LYS 77 0.904 2.658 19.014 646 2HE LYS 77 2HE LYS 77 -0.564 2.172 18.168 647 1HZ LYS 77 1HZ LYS 77 -0.237 0.892 20.186 648 2HZ LYS 77 2HZ LYS 77 1.267 0.350 19.632 649 3HZ LYS 77 3HZ LYS 77 -0.146 -0.111 18.828 650 H ASN 78 H ASN 78 -1.254 6.796 15.369 651 HA ASN 78 HA ASN 78 -3.778 5.947 14.474 652 1HB ASN 78 1HB ASN 78 -2.605 8.730 14.696 653 2HB ASN 78 2HB ASN 78 -4.298 8.413 14.328 654 1HD2 ASN 78 2HD2 ASN 78 -3.121 9.808 16.596 655 2HD2 ASN 78 1HD2 ASN 78 -3.667 8.975 18.009 656 H ILE 79 H ILE 79 -0.978 6.897 12.749 657 HA ILE 79 HA ILE 79 -2.109 7.824 10.345 658 HB ILE 79 HB ILE 79 0.521 6.366 10.765 659 1HG1 ILE 79 1HG1 ILE 79 1.458 8.731 10.460 660 2HG1 ILE 79 2HG1 ILE 79 -0.188 9.312 10.672 661 1HG2 ILE 79 1HG2 ILE 79 -0.203 6.212 8.432 662 2HG2 ILE 79 2HG2 ILE 79 1.203 7.261 8.593 663 3HG2 ILE 79 3HG2 ILE 79 -0.400 7.966 8.368 664 1HD1 ILE 79 1HD1 ILE 79 1.402 7.747 12.694 665 2HD1 ILE 79 2HD1 ILE 79 -0.242 8.348 12.910 666 3HD1 ILE 79 3HD1 ILE 79 1.095 9.483 12.724 667 H GLY 80 H GLY 80 -1.706 4.639 11.690 668 1HA GLY 80 1HA GLY 80 -1.895 3.004 9.455 669 2HA GLY 80 2HA GLY 80 -2.502 2.590 11.050 670 H SER 81 H SER 81 -4.532 4.526 11.300 671 HA SER 81 HA SER 81 -6.650 3.295 9.898 672 1HB SER 81 1HB SER 81 -6.645 6.004 11.264 673 2HB SER 81 2HB SER 81 -8.065 5.029 10.881 674 HG SER 81 HG SER 81 -7.298 3.446 12.327 675 H LEU 82 H LEU 82 -4.838 6.263 9.363 676 HA LEU 82 HA LEU 82 -6.330 7.271 7.181 677 1HB LEU 82 1HB LEU 82 -4.719 8.565 8.576 678 2HB LEU 82 2HB LEU 82 -3.400 7.656 7.876 679 HG LEU 82 HG LEU 82 -3.838 10.041 7.022 680 1HD1 LEU 82 1HD1 LEU 82 -3.182 9.467 4.730 681 2HD1 LEU 82 2HD1 LEU 82 -3.587 7.778 5.046 682 3HD1 LEU 82 3HD1 LEU 82 -2.275 8.549 5.933 683 1HD2 LEU 82 1HD2 LEU 82 -6.029 8.607 5.515 684 2HD2 LEU 82 2HD2 LEU 82 -5.473 10.255 5.220 685 3HD2 LEU 82 3HD2 LEU 82 -6.255 9.849 6.747 686 H LEU 83 H LEU 83 -3.514 5.168 7.439 687 HA LEU 83 HA LEU 83 -2.936 4.752 4.748 688 1HB LEU 83 1HB LEU 83 -1.440 3.978 6.469 689 2HB LEU 83 2HB LEU 83 -2.669 2.927 7.143 690 HG LEU 83 HG LEU 83 -2.564 1.507 5.127 691 1HD1 LEU 83 1HD1 LEU 83 -1.903 3.191 3.498 692 2HD1 LEU 83 2HD1 LEU 83 -0.785 1.829 3.483 693 3HD1 LEU 83 3HD1 LEU 83 -0.323 3.338 4.271 694 1HD2 LEU 83 1HD2 LEU 83 -0.361 0.529 5.552 695 2HD2 LEU 83 2HD2 LEU 83 -1.169 0.966 7.057 696 3HD2 LEU 83 3HD2 LEU 83 0.123 1.985 6.424 697 H ARG 84 H ARG 84 -4.982 2.768 6.905 698 HA ARG 84 HA ARG 84 -5.938 1.014 4.943 699 1HB ARG 84 1HB ARG 84 -6.186 0.595 7.363 700 2HB ARG 84 2HB ARG 84 -7.343 1.918 7.472 701 1HG ARG 84 1HG ARG 84 -8.832 0.690 5.909 702 2HG ARG 84 2HG ARG 84 -7.692 -0.655 5.930 703 1HD ARG 84 1HD ARG 84 -8.027 -0.889 8.352 704 2HD ARG 84 2HD ARG 84 -9.175 0.451 8.320 705 HE ARG 84 HE ARG 84 -9.592 -2.146 6.964 706 1HH1 ARG 84 1HH1 ARG 84 -10.854 0.685 8.599 707 2HH1 ARG 84 2HH1 ARG 84 -12.495 0.136 8.540 708 1HH2 ARG 84 1HH2 ARG 84 -11.740 -2.873 6.898 709 2HH2 ARG 84 2HH2 ARG 84 -13.002 -1.891 7.579 710 H SER 85 H SER 85 -7.064 4.181 5.963 711 HA SER 85 HA SER 85 -9.557 4.226 4.718 712 1HB SER 85 1HB SER 85 -8.822 5.960 6.305 713 2HB SER 85 2HB SER 85 -7.628 6.532 5.141 714 HG SER 85 HG SER 85 -10.425 6.462 4.652 715 H HIS 86 H HIS 86 -6.377 5.248 3.439 716 HA HIS 86 HA HIS 86 -7.497 5.722 0.810 717 1HB HIS 86 1HB HIS 86 -4.613 5.593 1.723 718 2HB HIS 86 2HB HIS 86 -5.133 6.061 0.109 719 HD1 HIS 86 HD1 HIS 86 -6.916 8.239 0.198 720 HD2 HIS 86 HD2 HIS 86 -4.261 7.698 3.346 721 HE1 HIS 86 HE1 HIS 86 -6.790 10.463 1.362 722 HE2 HIS 86 HE2 HIS 86 -5.082 10.145 3.186 723 H TYR 87 H TYR 87 -5.927 3.093 2.454 724 HA TYR 87 HA TYR 87 -5.209 1.484 0.282 725 1HB TYR 87 1HB TYR 87 -4.718 1.104 2.773 726 2HB TYR 87 2HB TYR 87 -6.338 0.432 2.893 727 HD1 TYR 87 HD2 TYR 87 -6.848 -1.506 1.115 728 HD2 TYR 87 HD1 TYR 87 -2.952 -0.355 2.404 729 HE1 TYR 87 HE2 TYR 87 -5.978 -3.701 0.436 730 HE2 TYR 87 HE1 TYR 87 -2.078 -2.551 1.728 731 HH TYR 87 HH TYR 87 -2.953 -4.858 1.360 732 H GLU 88 H GLU 88 -8.241 1.884 2.008 733 HA GLU 88 HA GLU 88 -9.823 -0.124 1.098 734 1HB GLU 88 1HB GLU 88 -10.570 1.527 2.718 735 2HB GLU 88 2HB GLU 88 -10.560 2.784 1.488 736 1HG GLU 88 1HG GLU 88 -12.321 1.430 0.270 737 2HG GLU 88 2HG GLU 88 -12.435 0.442 1.725 738 H ARG 89 H ARG 89 -9.044 2.860 -0.678 739 HA ARG 89 HA ARG 89 -10.697 1.881 -2.916 740 1HB ARG 89 1HB ARG 89 -10.748 4.230 -3.690 741 2HB ARG 89 2HB ARG 89 -11.435 4.026 -2.084 742 1HG ARG 89 1HG ARG 89 -9.395 4.888 -1.073 743 2HG ARG 89 2HG ARG 89 -8.656 5.042 -2.668 744 1HD ARG 89 1HD ARG 89 -11.087 6.530 -1.667 745 2HD ARG 89 2HD ARG 89 -9.473 7.199 -1.896 746 HE ARG 89 HE ARG 89 -11.172 6.203 -4.100 747 1HH1 ARG 89 1HH1 ARG 89 -8.821 8.480 -2.839 748 2HH1 ARG 89 2HH1 ARG 89 -8.744 9.398 -4.312 749 1HH2 ARG 89 1HH2 ARG 89 -11.081 7.417 -6.017 750 2HH2 ARG 89 2HH2 ARG 89 -10.042 8.807 -6.109 751 H ILE 90 H ILE 90 -7.478 3.105 -2.123 752 HA ILE 90 HA ILE 90 -6.707 3.161 -4.928 753 HB ILE 90 HB ILE 90 -5.110 3.855 -2.449 754 1HG1 ILE 90 1HG1 ILE 90 -6.978 5.399 -2.829 755 2HG1 ILE 90 2HG1 ILE 90 -5.444 6.197 -3.153 756 1HG2 ILE 90 1HG2 ILE 90 -3.503 4.908 -3.997 757 2HG2 ILE 90 2HG2 ILE 90 -4.416 4.267 -5.364 758 3HG2 ILE 90 3HG2 ILE 90 -3.620 3.165 -4.241 759 1HD1 ILE 90 1HD1 ILE 90 -5.802 5.899 -5.552 760 2HD1 ILE 90 2HD1 ILE 90 -7.115 6.802 -4.799 761 3HD1 ILE 90 3HD1 ILE 90 -7.342 5.105 -5.221 762 H VAL 91 H VAL 91 -5.571 1.511 -1.958 763 HA VAL 91 HA VAL 91 -3.698 -0.027 -3.595 764 HB VAL 91 HB VAL 91 -3.917 -0.030 -0.579 765 1HG1 VAL 91 1HG1 VAL 91 -1.581 -0.783 -0.662 766 2HG1 VAL 91 2HG1 VAL 91 -1.643 -0.785 -2.425 767 3HG1 VAL 91 3HG1 VAL 91 -2.652 -1.901 -1.506 768 1HG2 VAL 91 1HG2 VAL 91 -2.203 1.747 -2.327 769 2HG2 VAL 91 2HG2 VAL 91 -2.112 1.637 -0.568 770 3HG2 VAL 91 3HG2 VAL 91 -3.569 2.264 -1.337 771 H TYR 92 H TYR 92 -6.781 -0.451 -2.216 772 HA TYR 92 HA TYR 92 -6.663 -3.131 -1.406 773 1HB TYR 92 1HB TYR 92 -8.610 -1.270 -1.289 774 2HB TYR 92 2HB TYR 92 -9.205 -2.205 -2.654 775 HD1 TYR 92 HD2 TYR 92 -7.837 -4.830 -1.316 776 HD2 TYR 92 HD1 TYR 92 -10.679 -1.915 -0.066 777 HE1 TYR 92 HE2 TYR 92 -8.806 -6.450 0.255 778 HE2 TYR 92 HE1 TYR 92 -11.647 -3.527 1.510 779 HH TYR 92 HH TYR 92 -10.126 -6.440 2.336 780 HA PRO 93 HA PRO 93 -7.841 -4.205 -6.098 781 1HB PRO 93 1HB PRO 93 -6.332 -1.926 -7.309 782 2HB PRO 93 2HB PRO 93 -7.803 -2.728 -7.875 783 1HG PRO 93 1HG PRO 93 -7.933 -0.323 -6.746 784 2HG PRO 93 2HG PRO 93 -9.168 -1.551 -6.404 785 1HD PRO 93 1HD PRO 93 -6.860 -0.658 -4.712 786 2HD PRO 93 2HD PRO 93 -8.516 -1.081 -4.228 787 H TYR 94 H TYR 94 -4.927 -2.606 -4.935 788 HA TYR 94 HA TYR 94 -3.100 -4.101 -6.534 789 1HB TYR 94 1HB TYR 94 -2.779 -2.305 -4.143 790 2HB TYR 94 2HB TYR 94 -1.414 -3.224 -4.770 791 HD1 TYR 94 HD2 TYR 94 -3.963 -0.673 -5.732 792 HD2 TYR 94 HD1 TYR 94 -0.207 -2.463 -6.632 793 HE1 TYR 94 HE2 TYR 94 -3.537 1.077 -7.400 794 HE2 TYR 94 HE1 TYR 94 0.219 -0.721 -8.308 795 HH TYR 94 HH TYR 94 -1.517 2.120 -8.507 796 H GLU 95 H GLU 95 -4.554 -4.591 -3.378 797 HA GLU 95 HA GLU 95 -3.021 -6.738 -2.459 798 1HB GLU 95 1HB GLU 95 -4.648 -5.957 -0.954 799 2HB GLU 95 2HB GLU 95 -5.914 -5.958 -2.167 800 1HG GLU 95 1HG GLU 95 -6.323 -7.660 -0.501 801 2HG GLU 95 2HG GLU 95 -6.025 -8.396 -2.071 802 H MET 96 H MET 96 -6.008 -6.868 -4.388 803 HA MET 96 HA MET 96 -5.863 -9.618 -4.973 804 1HB MET 96 1HB MET 96 -7.932 -8.274 -5.111 805 2HB MET 96 2HB MET 96 -7.281 -7.419 -6.500 806 1HG MET 96 1HG MET 96 -7.281 -9.470 -7.799 807 2HG MET 96 2HG MET 96 -7.850 -10.378 -6.398 808 1HE MET 96 1HE MET 96 -10.264 -10.086 -5.319 809 2HE MET 96 2HE MET 96 -11.458 -8.921 -5.892 810 3HE MET 96 3HE MET 96 -9.979 -8.356 -5.116 811 H TYR 97 H TYR 97 -4.555 -6.795 -6.601 812 HA TYR 97 HA TYR 97 -3.812 -8.102 -9.019 813 1HB TYR 97 1HB TYR 97 -4.020 -5.735 -9.096 814 2HB TYR 97 2HB TYR 97 -2.963 -5.518 -7.708 815 HD1 TYR 97 HD2 TYR 97 -2.575 -7.359 -10.964 816 HD2 TYR 97 HD1 TYR 97 -1.056 -4.371 -8.332 817 HE1 TYR 97 HE2 TYR 97 -0.671 -6.992 -12.479 818 HE2 TYR 97 HE1 TYR 97 0.846 -3.999 -9.842 819 HH TYR 97 HH TYR 97 2.019 -4.925 -11.593 820 H GLN 98 H GLN 98 -1.696 -6.832 -6.448 821 HA GLN 98 HA GLN 98 0.646 -8.030 -7.324 822 1HB GLN 98 1HB GLN 98 0.473 -6.199 -5.618 823 2HB GLN 98 2HB GLN 98 -0.069 -7.394 -4.448 824 1HG GLN 98 1HG GLN 98 2.244 -6.990 -4.069 825 2HG GLN 98 2HG GLN 98 2.085 -8.600 -4.769 826 1HE2 GLN 98 2HE2 GLN 98 3.202 -5.348 -5.267 827 2HE2 GLN 98 1HE2 GLN 98 4.118 -5.668 -6.698 828 H SER 99 H SER 99 -1.577 -9.152 -4.752 829 HA SER 99 HA SER 99 -0.185 -11.588 -4.337 830 1HB SER 99 1HB SER 99 -3.053 -10.863 -3.677 831 2HB SER 99 2HB SER 99 -2.170 -12.251 -3.035 832 HG SER 99 HG SER 99 -2.251 -9.898 -1.984 833 H GLY 100 H GLY 100 -2.940 -10.687 -6.402 834 1HA GLY 100 1HA GLY 100 -3.626 -13.278 -7.259 835 2HA GLY 100 2HA GLY 100 -3.911 -11.797 -8.164 836 H ALA 101 H ALA 101 -0.985 -11.197 -8.146 837 HA ALA 101 HA ALA 101 -0.279 -12.807 -10.468 838 1HB ALA 101 1HB ALA 101 1.132 -10.431 -9.249 839 2HB ALA 101 2HB ALA 101 -0.028 -10.371 -10.577 840 3HB ALA 101 3HB ALA 101 1.519 -11.190 -10.794 841 H ASN 102 H ASN 102 0.748 -12.371 -7.134 842 HA ASN 102 HA ASN 102 3.092 -14.097 -7.582 843 1HB ASN 102 1HB ASN 102 2.333 -12.264 -5.299 844 2HB ASN 102 2HB ASN 102 3.678 -13.395 -5.199 845 1HD2 ASN 102 2HD2 ASN 102 2.479 -10.499 -6.714 846 2HD2 ASN 102 1HD2 ASN 102 3.992 -9.963 -7.344 847 H LEU 103 H LEU 103 0.544 -13.738 -5.108 848 HA LEU 103 HA LEU 103 0.006 -16.540 -5.029 849 1HB LEU 103 1HB LEU 103 0.610 -16.543 -2.451 850 2HB LEU 103 2HB LEU 103 1.788 -16.974 -3.669 851 HG LEU 103 HG LEU 103 2.600 -14.549 -3.544 852 1HD1 LEU 103 1HD1 LEU 103 0.974 -14.588 -1.003 853 2HD1 LEU 103 2HD1 LEU 103 0.723 -13.541 -2.399 854 3HD1 LEU 103 3HD1 LEU 103 2.182 -13.375 -1.427 855 1HD2 LEU 103 1HD2 LEU 103 2.926 -16.344 -1.141 856 2HD2 LEU 103 2HD2 LEU 103 3.987 -15.002 -1.573 857 3HD2 LEU 103 3HD2 LEU 103 3.865 -16.407 -2.632 858 H VAL 104 H VAL 104 -2.116 -16.682 -4.641 859 HA VAL 104 HA VAL 104 -3.373 -14.403 -3.255 860 HB VAL 104 HB VAL 104 -3.848 -14.172 -5.585 861 1HG1 VAL 104 1HG1 VAL 104 -4.843 -17.023 -5.556 862 2HG1 VAL 104 2HG1 VAL 104 -3.377 -16.437 -6.342 863 3HG1 VAL 104 3HG1 VAL 104 -4.958 -15.908 -6.919 864 1HG2 VAL 104 1HG2 VAL 104 -6.270 -15.329 -4.193 865 2HG2 VAL 104 2HG2 VAL 104 -6.296 -14.278 -5.609 866 3HG2 VAL 104 3HG2 VAL 104 -5.696 -13.665 -4.068 867 H CYS 105 H CYS 105 -4.029 -15.074 -1.363 868 HA CYS 105 HA CYS 105 -5.934 -17.322 -1.286 869 1HB CYS 105 1HB CYS 105 -3.865 -17.996 -0.131 870 2HB CYS 105 2HB CYS 105 -3.946 -16.555 0.877 871 HG CYS 105 HG CYS 105 -6.440 -17.381 2.036 872 H ASN 106 H ASN 106 -5.581 -14.109 -1.193 873 HA ASN 106 HA ASN 106 -7.167 -13.553 1.186 874 1HB ASN 106 1HB ASN 106 -5.699 -11.726 -0.725 875 2HB ASN 106 2HB ASN 106 -6.633 -11.161 0.661 876 1HD2 ASN 106 2HD2 ASN 106 -3.763 -10.935 0.081 877 2HD2 ASN 106 1HD2 ASN 106 -2.960 -11.659 1.428 878 H THR 107 H THR 107 -8.242 -14.694 -1.470 879 HA THR 107 HA THR 107 -9.862 -12.722 -2.668 880 HB THR 107 HB THR 107 -10.483 -15.682 -2.525 881 HG1 THR 107 HG1 THR 107 -8.911 -14.302 -4.476 882 1HG2 THR 107 1HG2 THR 107 -11.170 -13.577 -4.589 883 2HG2 THR 107 2HG2 THR 107 -12.295 -14.286 -3.431 884 3HG2 THR 107 3HG2 THR 107 -11.575 -15.290 -4.690 885 H ARG 108 H ARG 108 -10.487 -14.979 0.004 886 HA ARG 108 HA ARG 108 -13.162 -13.924 0.380 887 1HB ARG 108 1HB ARG 108 -11.628 -16.200 1.528 888 2HB ARG 108 2HB ARG 108 -12.894 -15.505 2.532 889 1HG ARG 108 1HG ARG 108 -13.244 -16.596 -0.260 890 2HG ARG 108 2HG ARG 108 -13.745 -17.380 1.242 891 1HD ARG 108 1HD ARG 108 -15.272 -15.524 1.707 892 2HD ARG 108 2HD ARG 108 -14.761 -14.721 0.223 893 HE ARG 108 HE ARG 108 -15.923 -17.394 0.002 894 1HH1 ARG 108 1HH1 ARG 108 -16.261 -13.929 -0.423 895 2HH1 ARG 108 2HH1 ARG 108 -17.688 -14.070 -1.402 896 1HH2 ARG 108 1HH2 ARG 108 -17.789 -17.570 -1.298 897 2HH2 ARG 108 2HH2 ARG 108 -18.560 -16.130 -1.893 898 HA PRO 109 HA PRO 109 -10.660 -12.332 4.492 899 1HB PRO 109 1HB PRO 109 -8.417 -11.670 2.588 900 2HB PRO 109 2HB PRO 109 -8.365 -11.859 4.347 901 1HG PRO 109 1HG PRO 109 -7.595 -13.860 2.795 902 2HG PRO 109 2HG PRO 109 -8.583 -14.183 4.235 903 1HD PRO 109 1HD PRO 109 -9.349 -14.254 1.360 904 2HD PRO 109 2HD PRO 109 -10.012 -15.170 2.729 905 H PHE 110 H PHE 110 -10.583 -11.210 1.144 906 HA PHE 110 HA PHE 110 -10.794 -8.464 1.458 907 1HB PHE 110 1HB PHE 110 -10.692 -9.940 -0.692 908 2HB PHE 110 2HB PHE 110 -12.444 -9.982 -0.573 909 HD1 PHE 110 HD1 PHE 110 -13.361 -7.380 -0.030 910 HD2 PHE 110 HD2 PHE 110 -9.939 -8.510 -2.304 911 HE1 PHE 110 HE1 PHE 110 -13.484 -5.259 -1.275 912 HE2 PHE 110 HE2 PHE 110 -10.060 -6.393 -3.546 913 HZ PHE 110 HZ PHE 110 -11.836 -4.765 -3.032 914 H ASP 111 H ASP 111 -13.452 -10.816 1.151 915 HA ASP 111 HA ASP 111 -15.566 -9.050 1.721 916 1HB ASP 111 1HB ASP 111 -15.427 -12.056 2.112 917 2HB ASP 111 2HB ASP 111 -16.905 -11.104 2.157 918 H ASN 112 H ASN 112 -13.467 -10.949 3.776 919 HA ASN 112 HA ASN 112 -15.112 -10.627 6.126 920 1HB ASN 112 1HB ASN 112 -12.355 -11.802 5.726 921 2HB ASN 112 2HB ASN 112 -13.150 -11.715 7.296 922 1HD2 ASN 112 2HD2 ASN 112 -13.117 -13.244 4.184 923 2HD2 ASN 112 1HD2 ASN 112 -14.234 -14.508 4.566 924 H GLU 113 H GLU 113 -12.674 -8.773 4.591 925 HA GLU 113 HA GLU 113 -12.007 -7.307 7.010 926 1HB GLU 113 1HB GLU 113 -10.517 -7.772 4.855 927 2HB GLU 113 2HB GLU 113 -11.284 -6.298 4.285 928 1HG GLU 113 1HG GLU 113 -9.667 -6.583 6.818 929 2HG GLU 113 2HG GLU 113 -9.107 -5.869 5.312 930 H GLU 114 H GLU 114 -13.636 -6.632 3.907 931 HA GLU 114 HA GLU 114 -14.585 -4.076 4.734 932 1HB GLU 114 1HB GLU 114 -16.070 -4.180 2.761 933 2HB GLU 114 2HB GLU 114 -14.398 -4.551 2.372 934 1HG GLU 114 1HG GLU 114 -14.861 -6.848 2.107 935 2HG GLU 114 2HG GLU 114 -16.447 -6.696 2.863 936 H LYS 115 H LYS 115 -16.001 -7.307 4.743 937 HA LYS 115 HA LYS 115 -18.160 -6.279 6.471 938 1HB LYS 115 1HB LYS 115 -18.767 -7.361 4.198 939 2HB LYS 115 2HB LYS 115 -18.284 -8.881 4.930 940 1HG LYS 115 1HG LYS 115 -20.407 -7.087 6.097 941 2HG LYS 115 2HG LYS 115 -20.755 -8.362 4.937 942 1HD LYS 115 1HD LYS 115 -19.354 -8.891 7.559 943 2HD LYS 115 2HD LYS 115 -21.106 -8.907 7.402 944 1HE LYS 115 1HE LYS 115 -20.279 -11.164 7.246 945 2HE LYS 115 2HE LYS 115 -20.904 -10.673 5.676 946 1HZ LYS 115 1HZ LYS 115 -18.785 -11.894 5.562 947 2HZ LYS 115 2HZ LYS 115 -18.028 -10.645 6.416 948 3HZ LYS 115 3HZ LYS 115 -18.684 -10.346 4.886 949 H ASP 116 H ASP 116 -16.520 -6.416 8.146 950 HA ASP 116 HA ASP 116 -15.596 -8.998 9.022 951 1HB ASP 116 1HB ASP 116 -14.254 -7.022 9.515 952 2HB ASP 116 2HB ASP 116 -15.598 -6.284 10.383 953 H LYS 117 H LYS 117 -17.990 -6.640 10.077 954 HA LYS 117 HA LYS 117 -19.194 -8.641 11.853 955 1HB LYS 117 1HB LYS 117 -20.406 -6.652 12.831 956 2HB LYS 117 2HB LYS 117 -18.665 -6.663 13.064 957 1HG LYS 117 1HG LYS 117 -18.415 -5.064 11.211 958 2HG LYS 117 2HG LYS 117 -20.168 -5.039 11.008 959 1HD LYS 117 1HD LYS 117 -18.675 -4.205 13.505 960 2HD LYS 117 2HD LYS 117 -19.351 -3.107 12.302 961 1HE LYS 117 1HE LYS 117 -20.931 -5.059 13.985 962 2HE LYS 117 2HE LYS 117 -20.810 -3.324 14.267 963 1HZ LYS 117 1HZ LYS 117 -21.807 -2.984 12.054 964 2HZ LYS 117 2HZ LYS 117 -22.837 -3.797 13.120 965 3HZ LYS 117 3HZ LYS 117 -22.030 -4.653 11.911 Start of MODEL 12 1 1H SER 1 1H SER 1 3.632 13.429 -2.119 2 2H SER 1 2H SER 1 3.585 15.096 -2.406 3 3H SER 1 3H SER 1 5.069 14.316 -2.177 4 HA SER 1 HA SER 1 3.215 13.812 -4.419 5 1HB SER 1 1HB SER 1 4.273 16.069 -4.503 6 2HB SER 1 2HB SER 1 5.859 15.305 -4.409 7 HG SER 1 HG SER 1 5.470 15.623 -6.555 8 H MET 2 H MET 2 4.981 13.022 -6.267 9 HA MET 2 HA MET 2 5.763 10.423 -5.261 10 1HB MET 2 1HB MET 2 6.068 11.579 -8.046 11 2HB MET 2 2HB MET 2 6.241 9.887 -7.599 12 1HG MET 2 1HG MET 2 3.714 11.524 -7.484 13 2HG MET 2 2HG MET 2 4.100 10.262 -8.649 14 1HE MET 2 1HE MET 2 5.442 8.016 -6.846 15 2HE MET 2 2HE MET 2 4.207 7.669 -8.057 16 3HE MET 2 3HE MET 2 4.038 7.039 -6.418 17 H ASN 3 H ASN 3 7.220 13.408 -5.455 18 HA ASN 3 HA ASN 3 9.851 12.800 -6.251 19 1HB ASN 3 1HB ASN 3 8.962 15.103 -6.109 20 2HB ASN 3 2HB ASN 3 8.905 14.968 -4.354 21 1HD2 ASN 3 2HD2 ASN 3 10.968 15.252 -7.146 22 2HD2 ASN 3 1HD2 ASN 3 12.404 15.694 -6.284 23 H GLU 4 H GLU 4 8.295 12.820 -3.069 24 HA GLU 4 HA GLU 4 10.536 12.289 -1.495 25 1HB GLU 4 1HB GLU 4 7.721 11.265 -1.031 26 2HB GLU 4 2HB GLU 4 8.994 11.351 0.175 27 1HG GLU 4 1HG GLU 4 7.860 13.244 0.711 28 2HG GLU 4 2HG GLU 4 8.964 13.917 -0.486 29 H LEU 5 H LEU 5 8.544 10.166 -3.437 30 HA LEU 5 HA LEU 5 9.737 7.719 -2.582 31 1HB LEU 5 1HB LEU 5 7.527 7.803 -3.661 32 2HB LEU 5 2HB LEU 5 8.259 8.406 -5.136 33 HG LEU 5 HG LEU 5 9.509 6.256 -5.347 34 1HD1 LEU 5 1HD1 LEU 5 7.781 5.381 -3.032 35 2HD1 LEU 5 2HD1 LEU 5 9.531 5.597 -3.002 36 3HD1 LEU 5 3HD1 LEU 5 8.817 4.335 -4.006 37 1HD2 LEU 5 1HD2 LEU 5 7.424 6.616 -6.567 38 2HD2 LEU 5 2HD2 LEU 5 6.503 5.994 -5.196 39 3HD2 LEU 5 3HD2 LEU 5 7.593 4.928 -6.084 40 H GLU 6 H GLU 6 10.142 9.777 -5.456 41 HA GLU 6 HA GLU 6 12.333 8.280 -6.506 42 1HB GLU 6 1HB GLU 6 10.669 10.450 -7.392 43 2HB GLU 6 2HB GLU 6 12.351 10.889 -7.642 44 1HG GLU 6 1HG GLU 6 11.088 8.334 -8.635 45 2HG GLU 6 2HG GLU 6 11.281 9.795 -9.597 46 H ALA 7 H ALA 7 12.244 10.222 -3.845 47 HA ALA 7 HA ALA 7 14.480 11.693 -3.633 48 1HB ALA 7 1HB ALA 7 13.787 9.448 -1.732 49 2HB ALA 7 2HB ALA 7 13.086 11.067 -1.712 50 3HB ALA 7 3HB ALA 7 14.802 10.846 -1.366 51 H GLN 8 H GLN 8 14.468 8.132 -3.793 52 HA GLN 8 HA GLN 8 17.323 8.136 -4.472 53 1HB GLN 8 1HB GLN 8 15.354 5.821 -4.317 54 2HB GLN 8 2HB GLN 8 17.086 5.677 -4.572 55 1HG GLN 8 1HG GLN 8 16.611 5.126 -2.296 56 2HG GLN 8 2HG GLN 8 17.450 6.676 -2.322 57 1HE2 GLN 8 2HE2 GLN 8 16.637 7.220 -0.275 58 2HE2 GLN 8 1HE2 GLN 8 14.987 7.688 -0.044 59 H THR 9 H THR 9 18.024 7.567 -6.625 60 HA THR 9 HA THR 9 15.962 8.459 -8.524 61 HB THR 9 HB THR 9 18.970 8.705 -8.749 62 HG1 THR 9 HG1 THR 9 17.010 10.683 -8.126 63 1HG2 THR 9 1HG2 THR 9 17.864 8.696 -10.939 64 2HG2 THR 9 2HG2 THR 9 18.466 10.307 -10.551 65 3HG2 THR 9 3HG2 THR 9 16.747 9.946 -10.388 66 H ARG 10 H ARG 10 15.454 7.426 -10.300 67 HA ARG 10 HA ARG 10 15.554 6.148 -12.180 68 1HB ARG 10 1HB ARG 10 18.002 6.898 -12.150 69 2HB ARG 10 2HB ARG 10 18.370 5.351 -11.406 70 1HG ARG 10 1HG ARG 10 18.824 5.156 -13.729 71 2HG ARG 10 2HG ARG 10 17.352 4.237 -13.408 72 1HD ARG 10 1HD ARG 10 17.147 5.560 -15.458 73 2HD ARG 10 2HD ARG 10 15.998 6.099 -14.233 74 HE ARG 10 HE ARG 10 18.295 7.659 -13.974 75 1HH1 ARG 10 1HH1 ARG 10 15.753 7.124 -16.322 76 2HH1 ARG 10 2HH1 ARG 10 15.865 8.724 -16.987 77 1HH2 ARG 10 1HH2 ARG 10 18.435 9.760 -14.827 78 2HH2 ARG 10 2HH2 ARG 10 17.396 10.222 -16.140 79 H VAL 11 H VAL 11 15.535 5.049 -9.157 80 HA VAL 11 HA VAL 11 15.114 2.266 -10.028 81 HB VAL 11 HB VAL 11 16.700 2.428 -8.175 82 1HG1 VAL 11 1HG1 VAL 11 14.499 3.819 -6.642 83 2HG1 VAL 11 2HG1 VAL 11 15.988 4.561 -7.226 84 3HG1 VAL 11 3HG1 VAL 11 16.056 3.313 -5.982 85 1HG2 VAL 11 1HG2 VAL 11 15.590 0.938 -6.562 86 2HG2 VAL 11 2HG2 VAL 11 15.229 0.482 -8.226 87 3HG2 VAL 11 3HG2 VAL 11 14.024 1.345 -7.269 88 H LYS 12 H LYS 12 13.716 5.088 -8.536 89 HA LYS 12 HA LYS 12 11.195 3.756 -7.989 90 1HB LYS 12 1HB LYS 12 11.853 6.696 -7.735 91 2HB LYS 12 2HB LYS 12 10.512 5.837 -6.989 92 1HG LYS 12 1HG LYS 12 13.431 5.398 -6.372 93 2HG LYS 12 2HG LYS 12 12.305 6.343 -5.399 94 1HD LYS 12 1HD LYS 12 10.937 4.313 -5.056 95 2HD LYS 12 2HD LYS 12 12.120 3.383 -5.980 96 1HE LYS 12 1HE LYS 12 12.504 3.100 -3.597 97 2HE LYS 12 2HE LYS 12 13.850 3.971 -4.331 98 1HZ LYS 12 1HZ LYS 12 12.814 6.053 -3.536 99 2HZ LYS 12 2HZ LYS 12 13.263 5.017 -2.280 100 3HZ LYS 12 3HZ LYS 12 11.641 5.142 -2.729 101 H LEU 13 H LEU 13 12.636 5.887 -10.358 102 HA LEU 13 HA LEU 13 10.487 6.900 -11.716 103 1HB LEU 13 1HB LEU 13 13.090 5.804 -12.771 104 2HB LEU 13 2HB LEU 13 11.905 6.541 -13.833 105 HG LEU 13 HG LEU 13 13.282 7.923 -11.519 106 1HD1 LEU 13 1HD1 LEU 13 14.800 7.495 -13.381 107 2HD1 LEU 13 2HD1 LEU 13 14.432 9.213 -13.242 108 3HD1 LEU 13 3HD1 LEU 13 13.657 8.243 -14.496 109 1HD2 LEU 13 1HD2 LEU 13 11.025 8.780 -11.878 110 2HD2 LEU 13 2HD2 LEU 13 11.369 9.004 -13.594 111 3HD2 LEU 13 3HD2 LEU 13 12.231 9.961 -12.389 112 H ASN 14 H ASN 14 11.952 3.695 -12.346 113 HA ASN 14 HA ASN 14 10.043 2.917 -14.279 114 1HB ASN 14 1HB ASN 14 12.184 1.757 -14.074 115 2HB ASN 14 2HB ASN 14 11.743 1.176 -12.470 116 1HD2 ASN 14 2HD2 ASN 14 11.132 0.878 -15.898 117 2HD2 ASN 14 1HD2 ASN 14 10.315 -0.646 -15.817 118 H TYR 15 H TYR 15 10.250 2.136 -10.813 119 HA TYR 15 HA TYR 15 7.919 0.605 -10.624 120 1HB TYR 15 1HB TYR 15 9.562 0.644 -8.824 121 2HB TYR 15 2HB TYR 15 9.263 2.355 -8.541 122 HD1 TYR 15 HD1 TYR 15 7.679 -1.011 -8.341 123 HD2 TYR 15 HD2 TYR 15 7.556 3.052 -7.068 124 HE1 TYR 15 HE1 TYR 15 5.926 -1.577 -6.712 125 HE2 TYR 15 HE2 TYR 15 5.802 2.495 -5.440 126 HH TYR 15 HH TYR 15 4.997 -0.712 -4.625 127 H LEU 16 H LEU 16 8.417 4.058 -10.595 128 HA LEU 16 HA LEU 16 5.841 4.841 -9.689 129 1HB LEU 16 1HB LEU 16 7.988 6.223 -9.713 130 2HB LEU 16 2HB LEU 16 7.737 6.438 -11.431 131 HG LEU 16 HG LEU 16 5.753 7.358 -9.337 132 1HD1 LEU 16 1HD1 LEU 16 7.873 8.506 -8.990 133 2HD1 LEU 16 2HD1 LEU 16 6.676 9.606 -9.669 134 3HD1 LEU 16 3HD1 LEU 16 7.939 8.937 -10.700 135 1HD2 LEU 16 1HD2 LEU 16 4.787 7.080 -11.560 136 2HD2 LEU 16 2HD2 LEU 16 6.071 8.064 -12.261 137 3HD2 LEU 16 3HD2 LEU 16 4.909 8.790 -11.151 138 H ASP 17 H ASP 17 7.369 4.616 -12.876 139 HA ASP 17 HA ASP 17 5.267 5.450 -14.472 140 1HB ASP 17 1HB ASP 17 7.525 5.037 -15.345 141 2HB ASP 17 2HB ASP 17 7.331 3.309 -15.068 142 H GLN 18 H GLN 18 6.029 2.196 -13.308 143 HA GLN 18 HA GLN 18 3.844 0.873 -14.516 144 1HB GLN 18 1HB GLN 18 5.826 -0.296 -13.647 145 2HB GLN 18 2HB GLN 18 5.388 0.163 -12.007 146 1HG GLN 18 1HG GLN 18 3.278 -1.142 -12.280 147 2HG GLN 18 2HG GLN 18 3.881 -1.694 -13.841 148 1HE2 GLN 18 2HE2 GLN 18 5.866 -1.197 -10.987 149 2HE2 GLN 18 1HE2 GLN 18 6.263 -2.860 -10.742 150 H ILE 19 H ILE 19 4.297 1.988 -11.168 151 HA ILE 19 HA ILE 19 1.764 1.125 -10.233 152 HB ILE 19 HB ILE 19 3.934 1.671 -8.903 153 1HG1 ILE 19 1HG1 ILE 19 2.533 2.380 -6.866 154 2HG1 ILE 19 2HG1 ILE 19 1.149 2.359 -7.957 155 1HG2 ILE 19 1HG2 ILE 19 2.682 4.416 -8.924 156 2HG2 ILE 19 2HG2 ILE 19 4.223 3.963 -9.652 157 3HG2 ILE 19 3HG2 ILE 19 4.025 3.904 -7.901 158 1HD1 ILE 19 1HD1 ILE 19 1.597 -0.004 -8.442 159 2HD1 ILE 19 2HD1 ILE 19 1.300 0.287 -6.730 160 3HD1 ILE 19 3HD1 ILE 19 2.947 0.032 -7.308 161 H ALA 20 H ALA 20 2.728 3.872 -12.026 162 HA ALA 20 HA ALA 20 0.311 5.372 -11.367 163 1HB ALA 20 1HB ALA 20 2.403 6.615 -11.654 164 2HB ALA 20 2HB ALA 20 1.207 7.092 -12.859 165 3HB ALA 20 3HB ALA 20 2.535 6.021 -13.309 166 H LYS 21 H LYS 21 1.785 3.640 -14.086 167 HA LYS 21 HA LYS 21 -0.088 4.434 -16.032 168 1HB LYS 21 1HB LYS 21 2.166 3.538 -16.555 169 2HB LYS 21 2HB LYS 21 1.646 1.952 -16.011 170 1HG LYS 21 1HG LYS 21 1.492 1.802 -18.316 171 2HG LYS 21 2HG LYS 21 -0.168 2.140 -17.834 172 1HD LYS 21 1HD LYS 21 1.771 4.270 -18.759 173 2HD LYS 21 2HD LYS 21 0.671 3.421 -19.843 174 1HE LYS 21 1HE LYS 21 -1.235 4.252 -18.497 175 2HE LYS 21 2HE LYS 21 -0.105 5.154 -17.491 176 1HZ LYS 21 1HZ LYS 21 -1.059 6.589 -19.139 177 2HZ LYS 21 2HZ LYS 21 -0.584 5.558 -20.392 178 3HZ LYS 21 3HZ LYS 21 0.584 6.380 -19.486 179 H PHE 22 H PHE 22 0.139 1.424 -14.123 180 HA PHE 22 HA PHE 22 -1.969 0.051 -15.321 181 1HB PHE 22 1HB PHE 22 -0.513 -1.132 -13.838 182 2HB PHE 22 2HB PHE 22 -0.881 -0.050 -12.502 183 HD1 PHE 22 HD1 PHE 22 -2.369 -2.680 -14.685 184 HD2 PHE 22 HD2 PHE 22 -2.601 -0.537 -11.017 185 HE1 PHE 22 HE1 PHE 22 -4.121 -4.217 -13.899 186 HE2 PHE 22 HE2 PHE 22 -4.352 -2.064 -10.219 187 HZ PHE 22 HZ PHE 22 -5.115 -3.913 -11.665 188 H TRP 23 H TRP 23 -2.069 2.126 -12.446 189 HA TRP 23 HA TRP 23 -4.879 1.926 -12.070 190 1HB TRP 23 1HB TRP 23 -3.384 2.406 -10.209 191 2HB TRP 23 2HB TRP 23 -2.836 3.882 -10.987 192 HD1 TRP 23 HD1 TRP 23 -3.673 5.758 -9.481 193 HE1 TRP 23 HE1 TRP 23 -5.925 6.443 -8.460 194 HE3 TRP 23 HE3 TRP 23 -6.464 1.693 -10.851 195 HZ2 TRP 23 HZ2 TRP 23 -8.532 5.396 -8.233 196 HZ3 TRP 23 HZ3 TRP 23 -8.829 1.618 -10.186 197 HH2 TRP 23 HH2 TRP 23 -9.842 3.428 -8.901 198 H GLU 24 H GLU 24 -2.768 4.148 -13.771 199 HA GLU 24 HA GLU 24 -4.622 6.224 -14.185 200 1HB GLU 24 1HB GLU 24 -2.227 6.539 -14.544 201 2HB GLU 24 2HB GLU 24 -2.246 5.384 -15.867 202 1HG GLU 24 1HG GLU 24 -3.490 6.847 -17.253 203 2HG GLU 24 2HG GLU 24 -3.858 7.922 -15.906 204 H ILE 25 H ILE 25 -3.837 3.337 -16.072 205 HA ILE 25 HA ILE 25 -5.609 3.983 -18.220 206 HB ILE 25 HB ILE 25 -4.303 1.346 -17.496 207 1HG1 ILE 25 1HG1 ILE 25 -2.667 3.065 -18.027 208 2HG1 ILE 25 2HG1 ILE 25 -2.756 1.918 -19.359 209 1HG2 ILE 25 1HG2 ILE 25 -6.264 0.938 -18.875 210 2HG2 ILE 25 2HG2 ILE 25 -4.796 0.663 -19.813 211 3HG2 ILE 25 3HG2 ILE 25 -5.724 2.146 -20.041 212 1HD1 ILE 25 1HD1 ILE 25 -2.593 4.184 -20.183 213 2HD1 ILE 25 2HD1 ILE 25 -4.031 4.646 -19.273 214 3HD1 ILE 25 3HD1 ILE 25 -4.162 3.495 -20.604 215 H GLN 26 H GLN 26 -6.064 2.625 -15.098 216 HA GLN 26 HA GLN 26 -8.501 1.232 -15.677 217 1HB GLN 26 1HB GLN 26 -7.489 2.397 -13.072 218 2HB GLN 26 2HB GLN 26 -8.892 1.347 -13.221 219 1HG GLN 26 1HG GLN 26 -6.029 0.632 -13.828 220 2HG GLN 26 2HG GLN 26 -6.996 0.073 -12.465 221 1HE2 GLN 26 2HE2 GLN 26 -8.627 -1.449 -12.827 222 2HE2 GLN 26 1HE2 GLN 26 -8.671 -2.418 -14.255 223 H GLY 27 H GLY 27 -7.884 4.360 -16.172 224 1HA GLY 27 1HA GLY 27 -9.447 5.969 -16.840 225 2HA GLY 27 2HA GLY 27 -10.701 5.086 -15.977 226 H SER 28 H SER 28 -7.602 5.966 -14.631 227 HA SER 28 HA SER 28 -8.751 8.113 -13.040 228 1HB SER 28 1HB SER 28 -9.301 5.998 -11.809 229 2HB SER 28 2HB SER 28 -7.577 5.642 -11.709 230 HG SER 28 HG SER 28 -8.739 6.831 -9.897 231 H SER 29 H SER 29 -6.792 8.477 -11.213 232 HA SER 29 HA SER 29 -4.193 8.205 -12.489 233 1HB SER 29 1HB SER 29 -3.696 10.656 -12.000 234 2HB SER 29 2HB SER 29 -4.795 10.355 -13.345 235 HG SER 29 HG SER 29 -6.520 10.904 -12.028 236 H LEU 30 H LEU 30 -2.433 8.477 -10.979 237 HA LEU 30 HA LEU 30 -3.256 7.435 -8.398 238 1HB LEU 30 1HB LEU 30 -1.474 6.333 -9.720 239 2HB LEU 30 2HB LEU 30 -0.485 7.772 -9.560 240 HG LEU 30 HG LEU 30 -0.494 7.438 -7.077 241 1HD1 LEU 30 1HD1 LEU 30 -1.806 4.810 -7.774 242 2HD1 LEU 30 2HD1 LEU 30 -2.542 6.140 -6.878 243 3HD1 LEU 30 3HD1 LEU 30 -1.179 5.263 -6.187 244 1HD2 LEU 30 1HD2 LEU 30 0.590 5.145 -8.715 245 2HD2 LEU 30 2HD2 LEU 30 1.107 5.586 -7.087 246 3HD2 LEU 30 3HD2 LEU 30 1.389 6.691 -8.430 247 H LYS 31 H LYS 31 -3.910 9.049 -7.073 248 HA LYS 31 HA LYS 31 -1.811 10.960 -6.269 249 1HB LYS 31 1HB LYS 31 -4.811 11.392 -6.112 250 2HB LYS 31 2HB LYS 31 -3.599 12.471 -5.445 251 1HG LYS 31 1HG LYS 31 -4.184 13.520 -7.417 252 2HG LYS 31 2HG LYS 31 -2.726 12.640 -7.873 253 1HD LYS 31 1HD LYS 31 -4.524 12.466 -9.564 254 2HD LYS 31 2HD LYS 31 -4.056 10.897 -8.909 255 1HE LYS 31 1HE LYS 31 -6.505 11.149 -9.135 256 2HE LYS 31 2HE LYS 31 -6.002 10.868 -7.471 257 1HZ LYS 31 1HZ LYS 31 -6.132 13.331 -7.162 258 2HZ LYS 31 2HZ LYS 31 -7.616 12.574 -7.442 259 3HZ LYS 31 3HZ LYS 31 -6.859 13.434 -8.687 260 H ILE 32 H ILE 32 -1.011 9.417 -4.790 261 HA ILE 32 HA ILE 32 -2.789 8.506 -2.676 262 HB ILE 32 HB ILE 32 -0.688 7.384 -1.778 263 1HG1 ILE 32 1HG1 ILE 32 0.380 8.263 -4.479 264 2HG1 ILE 32 2HG1 ILE 32 1.003 8.734 -2.901 265 1HG2 ILE 32 1HG2 ILE 32 -2.419 6.181 -3.004 266 2HG2 ILE 32 2HG2 ILE 32 -0.820 5.551 -3.400 267 3HG2 ILE 32 3HG2 ILE 32 -1.654 6.613 -4.535 268 1HD1 ILE 32 1HD1 ILE 32 1.648 6.404 -2.480 269 2HD1 ILE 32 2HD1 ILE 32 2.424 7.068 -3.917 270 3HD1 ILE 32 3HD1 ILE 32 1.059 5.965 -4.084 271 HA PRO 33 HA PRO 33 -2.053 12.056 -0.167 272 1HB PRO 33 1HB PRO 33 -2.754 10.253 2.091 273 2HB PRO 33 2HB PRO 33 -3.508 11.769 1.585 274 1HG PRO 33 1HG PRO 33 -4.722 9.440 1.139 275 2HG PRO 33 2HG PRO 33 -4.776 10.739 -0.071 276 1HD PRO 33 1HD PRO 33 -3.061 8.272 -0.013 277 2HD PRO 33 2HD PRO 33 -3.934 9.006 -1.377 278 H ASN 34 H ASN 34 -0.985 12.615 1.969 279 HA ASN 34 HA ASN 34 1.313 10.921 2.594 280 1HB ASN 34 1HB ASN 34 2.852 12.843 2.483 281 2HB ASN 34 2HB ASN 34 2.150 12.481 0.912 282 1HD2 ASN 34 2HD2 ASN 34 3.334 14.946 1.921 283 2HD2 ASN 34 1HD2 ASN 34 2.119 16.164 1.763 284 H VAL 35 H VAL 35 2.252 11.251 4.547 285 HA VAL 35 HA VAL 35 0.952 13.074 6.423 286 HB VAL 35 HB VAL 35 -0.195 10.883 6.686 287 1HG1 VAL 35 1HG1 VAL 35 1.023 8.942 7.546 288 2HG1 VAL 35 2HG1 VAL 35 2.544 9.825 7.400 289 3HG1 VAL 35 3HG1 VAL 35 1.617 9.420 5.954 290 1HG2 VAL 35 1HG2 VAL 35 1.588 11.615 9.017 291 2HG2 VAL 35 2HG2 VAL 35 0.123 10.636 9.113 292 3HG2 VAL 35 3HG2 VAL 35 0.021 12.332 8.637 293 H GLU 36 H GLU 36 2.346 13.635 8.223 294 HA GLU 36 HA GLU 36 4.376 14.185 9.128 295 1HB GLU 36 1HB GLU 36 5.142 11.438 8.105 296 2HB GLU 36 2HB GLU 36 6.094 12.400 9.225 297 1HG GLU 36 1HG GLU 36 3.349 11.260 9.715 298 2HG GLU 36 2HG GLU 36 4.865 10.706 10.427 299 H ARG 37 H ARG 37 3.708 14.651 6.285 300 HA ARG 37 HA ARG 37 4.521 15.722 4.497 301 1HB ARG 37 1HB ARG 37 6.314 17.153 4.711 302 2HB ARG 37 2HB ARG 37 5.888 16.885 6.391 303 1HG ARG 37 1HG ARG 37 7.787 14.908 5.801 304 2HG ARG 37 2HG ARG 37 8.375 16.370 5.009 305 1HD ARG 37 1HD ARG 37 8.041 17.575 7.188 306 2HD ARG 37 2HD ARG 37 7.686 16.007 7.929 307 HE ARG 37 HE ARG 37 10.149 15.907 6.531 308 1HH1 ARG 37 1HH1 ARG 37 8.742 17.147 9.500 309 2HH1 ARG 37 2HH1 ARG 37 10.266 17.216 10.327 310 1HH2 ARG 37 1HH2 ARG 37 12.126 15.980 7.614 311 2HH2 ARG 37 2HH2 ARG 37 12.199 16.552 9.253 312 H ARG 38 H ARG 38 5.061 12.774 5.148 313 HA ARG 38 HA ARG 38 6.875 12.278 2.875 314 1HB ARG 38 1HB ARG 38 7.739 11.295 4.943 315 2HB ARG 38 2HB ARG 38 6.200 10.499 5.242 316 1HG ARG 38 1HG ARG 38 7.788 8.892 4.406 317 2HG ARG 38 2HG ARG 38 6.530 9.148 3.198 318 1HD ARG 38 1HD ARG 38 8.064 10.735 2.030 319 2HD ARG 38 2HD ARG 38 9.323 10.297 3.185 320 HE ARG 38 HE ARG 38 8.116 8.095 1.725 321 1HH1 ARG 38 1HH1 ARG 38 10.777 10.368 1.921 322 2HH1 ARG 38 2HH1 ARG 38 11.809 9.440 0.880 323 1HH2 ARG 38 1HH2 ARG 38 9.473 6.882 0.338 324 2HH2 ARG 38 2HH2 ARG 38 11.063 7.472 -0.025 325 H ILE 39 H ILE 39 6.088 11.119 1.182 326 HA ILE 39 HA ILE 39 3.312 10.893 0.777 327 HB ILE 39 HB ILE 39 4.912 11.125 -1.078 328 1HG1 ILE 39 1HG1 ILE 39 3.292 8.561 -1.196 329 2HG1 ILE 39 2HG1 ILE 39 2.716 10.177 -1.592 330 1HG2 ILE 39 1HG2 ILE 39 5.760 8.299 -0.416 331 2HG2 ILE 39 2HG2 ILE 39 6.725 9.755 -0.174 332 3HG2 ILE 39 3HG2 ILE 39 6.300 9.242 -1.807 333 1HD1 ILE 39 1HD1 ILE 39 4.829 8.633 -3.082 334 2HD1 ILE 39 2HD1 ILE 39 4.277 10.261 -3.475 335 3HD1 ILE 39 3HD1 ILE 39 3.164 8.899 -3.596 336 H LEU 40 H LEU 40 1.967 9.036 0.654 337 HA LEU 40 HA LEU 40 2.494 6.928 2.480 338 1HB LEU 40 1HB LEU 40 0.215 7.746 1.740 339 2HB LEU 40 2HB LEU 40 0.485 6.933 0.210 340 HG LEU 40 HG LEU 40 0.619 4.766 1.396 341 1HD1 LEU 40 1HD1 LEU 40 1.438 5.565 3.552 342 2HD1 LEU 40 2HD1 LEU 40 -0.038 4.623 3.751 343 3HD1 LEU 40 3HD1 LEU 40 -0.096 6.383 3.846 344 1HD2 LEU 40 1HD2 LEU 40 -1.755 4.577 1.939 345 2HD2 LEU 40 2HD2 LEU 40 -1.522 5.533 0.476 346 3HD2 LEU 40 3HD2 LEU 40 -1.895 6.334 2.004 347 H ASP 41 H ASP 41 4.358 5.874 2.013 348 HA ASP 41 HA ASP 41 5.262 5.492 -0.660 349 1HB ASP 41 1HB ASP 41 6.651 5.880 1.488 350 2HB ASP 41 2HB ASP 41 6.469 4.150 1.756 351 H LEU 42 H LEU 42 3.864 4.188 -1.740 352 HA LEU 42 HA LEU 42 2.734 1.785 -0.835 353 1HB LEU 42 1HB LEU 42 2.253 3.367 -2.911 354 2HB LEU 42 2HB LEU 42 3.294 2.237 -3.748 355 HG LEU 42 HG LEU 42 0.777 1.423 -2.271 356 1HD1 LEU 42 1HD1 LEU 42 1.166 1.940 -5.220 357 2HD1 LEU 42 2HD1 LEU 42 0.211 2.920 -4.107 358 3HD1 LEU 42 3HD1 LEU 42 -0.283 1.267 -4.470 359 1HD2 LEU 42 1HD2 LEU 42 0.980 -0.643 -3.596 360 2HD2 LEU 42 2HD2 LEU 42 2.365 -0.400 -2.533 361 3HD2 LEU 42 3HD2 LEU 42 2.509 -0.058 -4.257 362 H TYR 43 H TYR 43 5.823 2.493 -2.273 363 HA TYR 43 HA TYR 43 6.531 -0.086 -3.183 364 1HB TYR 43 1HB TYR 43 7.612 2.264 -3.604 365 2HB TYR 43 2HB TYR 43 8.535 1.918 -2.151 366 HD1 TYR 43 HD2 TYR 43 8.312 -1.245 -3.300 367 HD2 TYR 43 HD1 TYR 43 9.967 2.479 -4.539 368 HE1 TYR 43 HE2 TYR 43 9.965 -2.437 -4.677 369 HE2 TYR 43 HE1 TYR 43 11.615 1.299 -5.912 370 HH TYR 43 HH TYR 43 11.384 -1.930 -6.716 371 H SER 44 H SER 44 7.655 1.660 -0.295 372 HA SER 44 HA SER 44 8.812 -0.531 1.011 373 1HB SER 44 1HB SER 44 7.622 1.960 2.279 374 2HB SER 44 2HB SER 44 8.824 0.887 3.000 375 HG SER 44 HG SER 44 9.109 2.644 0.800 376 H LEU 45 H LEU 45 5.559 0.814 1.077 377 HA LEU 45 HA LEU 45 4.415 -0.752 3.075 378 1HB LEU 45 1HB LEU 45 3.234 1.119 2.057 379 2HB LEU 45 2HB LEU 45 3.209 0.301 0.508 380 HG LEU 45 HG LEU 45 1.745 -1.458 1.509 381 1HD1 LEU 45 1HD1 LEU 45 0.642 -0.993 3.647 382 2HD1 LEU 45 2HD1 LEU 45 1.682 0.414 3.876 383 3HD1 LEU 45 3HD1 LEU 45 2.382 -1.206 3.840 384 1HD2 LEU 45 1HD2 LEU 45 0.792 0.378 0.215 385 2HD2 LEU 45 2HD2 LEU 45 0.698 1.372 1.669 386 3HD2 LEU 45 3HD2 LEU 45 -0.284 -0.087 1.532 387 H SER 46 H SER 46 4.864 -1.398 -0.379 388 HA SER 46 HA SER 46 3.476 -3.825 -0.510 389 1HB SER 46 1HB SER 46 4.151 -2.557 -2.514 390 2HB SER 46 2HB SER 46 5.845 -2.895 -2.166 391 HG SER 46 HG SER 46 3.892 -4.522 -3.268 392 H LYS 47 H LYS 47 6.986 -3.216 -0.103 393 HA LYS 47 HA LYS 47 7.664 -5.953 0.115 394 1HB LYS 47 1HB LYS 47 9.830 -5.228 0.952 395 2HB LYS 47 2HB LYS 47 9.338 -4.212 -0.396 396 1HG LYS 47 1HG LYS 47 8.772 -2.410 1.077 397 2HG LYS 47 2HG LYS 47 9.001 -3.431 2.497 398 1HD LYS 47 1HD LYS 47 10.916 -1.971 2.221 399 2HD LYS 47 2HD LYS 47 11.399 -3.641 1.933 400 1HE LYS 47 1HE LYS 47 11.217 -3.235 -0.504 401 2HE LYS 47 2HE LYS 47 10.821 -1.548 -0.169 402 1HZ LYS 47 1HZ LYS 47 13.156 -1.810 -0.700 403 2HZ LYS 47 2HZ LYS 47 13.356 -2.916 0.560 404 3HZ LYS 47 3HZ LYS 47 12.978 -1.303 0.902 405 H ILE 48 H ILE 48 6.587 -3.598 2.478 406 HA ILE 48 HA ILE 48 7.276 -5.206 4.755 407 HB ILE 48 HB ILE 48 5.565 -2.734 4.468 408 1HG1 ILE 48 1HG1 ILE 48 8.293 -3.169 5.727 409 2HG1 ILE 48 2HG1 ILE 48 8.028 -2.531 4.109 410 1HG2 ILE 48 1HG2 ILE 48 5.565 -2.587 6.927 411 2HG2 ILE 48 2HG2 ILE 48 6.348 -4.164 7.020 412 3HG2 ILE 48 3HG2 ILE 48 4.716 -4.027 6.365 413 1HD1 ILE 48 1HD1 ILE 48 6.873 -0.605 5.062 414 2HD1 ILE 48 2HD1 ILE 48 8.519 -0.762 5.678 415 3HD1 ILE 48 3HD1 ILE 48 7.152 -1.246 6.682 416 H VAL 49 H VAL 49 4.283 -4.628 2.921 417 HA VAL 49 HA VAL 49 2.574 -6.149 4.570 418 HB VAL 49 HB VAL 49 2.427 -5.608 1.585 419 1HG1 VAL 49 1HG1 VAL 49 0.076 -6.333 1.708 420 2HG1 VAL 49 2HG1 VAL 49 0.322 -6.836 3.380 421 3HG1 VAL 49 3HG1 VAL 49 1.185 -7.655 2.077 422 1HG2 VAL 49 1HG2 VAL 49 0.702 -3.988 2.211 423 2HG2 VAL 49 2HG2 VAL 49 2.226 -3.626 3.019 424 3HG2 VAL 49 3HG2 VAL 49 0.919 -4.400 3.913 425 H VAL 50 H VAL 50 4.685 -7.030 1.856 426 HA VAL 50 HA VAL 50 4.044 -9.793 1.821 427 HB VAL 50 HB VAL 50 6.625 -8.437 0.976 428 1HG1 VAL 50 1HG1 VAL 50 5.543 -11.173 0.271 429 2HG1 VAL 50 2HG1 VAL 50 6.939 -10.836 1.295 430 3HG1 VAL 50 3HG1 VAL 50 6.987 -10.429 -0.420 431 1HG2 VAL 50 1HG2 VAL 50 5.684 -8.515 -1.292 432 2HG2 VAL 50 2HG2 VAL 50 4.683 -7.547 -0.212 433 3HG2 VAL 50 3HG2 VAL 50 4.183 -9.181 -0.648 434 H GLU 51 H GLU 51 6.404 -7.879 3.626 435 HA GLU 51 HA GLU 51 7.720 -9.977 4.973 436 1HB GLU 51 1HB GLU 51 8.542 -7.661 4.974 437 2HB GLU 51 2HB GLU 51 7.134 -7.143 5.887 438 1HG GLU 51 1HG GLU 51 7.861 -8.484 7.794 439 2HG GLU 51 2HG GLU 51 9.259 -9.042 6.875 440 H GLU 52 H GLU 52 4.709 -8.298 5.577 441 HA GLU 52 HA GLU 52 4.197 -9.549 8.115 442 1HB GLU 52 1HB GLU 52 2.409 -7.955 6.268 443 2HB GLU 52 2HB GLU 52 1.980 -8.446 7.901 444 1HG GLU 52 1HG GLU 52 4.352 -6.707 7.248 445 2HG GLU 52 2HG GLU 52 2.758 -6.077 7.653 446 H GLY 53 H GLY 53 3.468 -10.214 4.770 447 1HA GLY 53 1HA GLY 53 3.200 -12.481 4.085 448 2HA GLY 53 2HA GLY 53 2.455 -12.838 5.632 449 H GLY 54 H GLY 54 0.930 -10.097 4.931 450 1HA GLY 54 1HA GLY 54 -0.695 -10.516 2.732 451 2HA GLY 54 2HA GLY 54 -1.432 -11.430 4.038 452 H TYR 55 H TYR 55 -1.954 -8.828 2.431 453 HA TYR 55 HA TYR 55 -2.008 -6.592 4.057 454 1HB TYR 55 1HB TYR 55 -2.502 -6.527 1.673 455 2HB TYR 55 2HB TYR 55 -3.950 -7.492 1.910 456 HD1 TYR 55 HD2 TYR 55 -2.524 -4.313 3.297 457 HD2 TYR 55 HD1 TYR 55 -5.937 -6.309 1.710 458 HE1 TYR 55 HE2 TYR 55 -3.835 -2.247 3.522 459 HE2 TYR 55 HE1 TYR 55 -7.250 -4.240 1.931 460 HH TYR 55 HH TYR 55 -7.228 -2.181 3.200 461 H GLU 56 H GLU 56 -4.645 -8.938 3.577 462 HA GLU 56 HA GLU 56 -6.391 -7.765 5.430 463 1HB GLU 56 1HB GLU 56 -6.369 -10.096 3.730 464 2HB GLU 56 2HB GLU 56 -7.045 -10.507 5.301 465 1HG GLU 56 1HG GLU 56 -8.725 -9.781 3.637 466 2HG GLU 56 2HG GLU 56 -8.715 -8.814 5.111 467 H ALA 57 H ALA 57 -3.781 -10.034 5.893 468 HA ALA 57 HA ALA 57 -4.545 -10.966 8.457 469 1HB ALA 57 1HB ALA 57 -2.198 -11.635 8.712 470 2HB ALA 57 2HB ALA 57 -1.765 -10.677 7.296 471 3HB ALA 57 3HB ALA 57 -2.814 -12.083 7.122 472 H ILE 58 H ILE 58 -2.470 -8.313 7.371 473 HA ILE 58 HA ILE 58 -1.794 -7.314 9.926 474 HB ILE 58 HB ILE 58 -2.103 -5.542 7.508 475 1HG1 ILE 58 1HG1 ILE 58 0.301 -7.306 8.035 476 2HG1 ILE 58 2HG1 ILE 58 -0.945 -7.686 6.852 477 1HG2 ILE 58 1HG2 ILE 58 -0.140 -5.581 9.800 478 2HG2 ILE 58 2HG2 ILE 58 -1.481 -4.456 9.576 479 3HG2 ILE 58 3HG2 ILE 58 -0.118 -4.434 8.459 480 1HD1 ILE 58 1HD1 ILE 58 0.981 -6.685 5.786 481 2HD1 ILE 58 2HD1 ILE 58 0.844 -5.266 6.824 482 3HD1 ILE 58 3HD1 ILE 58 -0.420 -5.624 5.645 483 H CYS 59 H CYS 59 -4.419 -6.656 7.680 484 HA CYS 59 HA CYS 59 -5.532 -4.453 9.050 485 1HB CYS 59 1HB CYS 59 -5.984 -5.024 6.666 486 2HB CYS 59 2HB CYS 59 -6.931 -6.407 7.204 487 HG CYS 59 HG CYS 59 -8.972 -4.985 8.311 488 H LYS 60 H LYS 60 -6.260 -7.926 9.122 489 HA LYS 60 HA LYS 60 -8.565 -7.654 10.754 490 1HB LYS 60 1HB LYS 60 -7.891 -9.601 9.182 491 2HB LYS 60 2HB LYS 60 -6.932 -10.180 10.535 492 1HG LYS 60 1HG LYS 60 -9.082 -11.301 10.469 493 2HG LYS 60 2HG LYS 60 -8.960 -10.300 11.918 494 1HD LYS 60 1HD LYS 60 -10.321 -8.577 10.893 495 2HD LYS 60 2HD LYS 60 -10.348 -9.457 9.366 496 1HE LYS 60 1HE LYS 60 -12.443 -9.747 10.585 497 2HE LYS 60 2HE LYS 60 -11.585 -11.279 10.431 498 1HZ LYS 60 1HZ LYS 60 -12.511 -10.939 12.649 499 2HZ LYS 60 2HZ LYS 60 -11.563 -9.552 12.848 500 3HZ LYS 60 3HZ LYS 60 -10.825 -11.067 12.696 501 H ASP 61 H ASP 61 -5.153 -8.309 11.417 502 HA ASP 61 HA ASP 61 -5.683 -8.560 14.275 503 1HB ASP 61 1HB ASP 61 -3.170 -8.782 12.617 504 2HB ASP 61 2HB ASP 61 -3.115 -8.732 14.377 505 H ARG 62 H ARG 62 -5.371 -6.015 12.190 506 HA ARG 62 HA ARG 62 -5.033 -3.780 12.431 507 1HB ARG 62 1HB ARG 62 -5.216 -4.332 15.412 508 2HB ARG 62 2HB ARG 62 -5.475 -2.784 14.614 509 1HG ARG 62 1HG ARG 62 -7.432 -3.730 13.447 510 2HG ARG 62 2HG ARG 62 -7.183 -5.254 14.298 511 1HD ARG 62 1HD ARG 62 -7.440 -3.973 16.452 512 2HD ARG 62 2HD ARG 62 -7.933 -2.582 15.483 513 HE ARG 62 HE ARG 62 -9.375 -5.162 15.420 514 1HH1 ARG 62 1HH1 ARG 62 -9.405 -1.657 15.568 515 2HH1 ARG 62 2HH1 ARG 62 -11.135 -1.560 15.615 516 1HH2 ARG 62 1HH2 ARG 62 -11.641 -5.016 15.493 517 2HH2 ARG 62 2HH2 ARG 62 -12.402 -3.456 15.586 518 H ARG 63 H ARG 63 -2.874 -5.497 12.183 519 HA ARG 63 HA ARG 63 -0.755 -4.910 14.055 520 1HB ARG 63 1HB ARG 63 -1.108 -7.128 13.105 521 2HB ARG 63 2HB ARG 63 -0.942 -6.497 11.481 522 1HG ARG 63 1HG ARG 63 1.394 -6.196 11.739 523 2HG ARG 63 2HG ARG 63 1.305 -6.468 13.485 524 1HD ARG 63 1HD ARG 63 1.057 -8.742 13.261 525 2HD ARG 63 2HD ARG 63 0.263 -8.613 11.695 526 HE ARG 63 HE ARG 63 2.957 -7.831 11.442 527 1HH1 ARG 63 1HH1 ARG 63 1.027 -10.702 12.024 528 2HH1 ARG 63 2HH1 ARG 63 2.122 -11.761 11.204 529 1HH2 ARG 63 1HH2 ARG 63 4.402 -9.239 10.359 530 2HH2 ARG 63 2HH2 ARG 63 4.045 -10.934 10.268 531 H TRP 64 H TRP 64 -2.073 -3.113 11.689 532 HA TRP 64 HA TRP 64 0.078 -2.120 10.193 533 1HB TRP 64 1HB TRP 64 -2.436 -0.700 11.118 534 2HB TRP 64 2HB TRP 64 -1.314 -0.065 9.917 535 HD1 TRP 64 HD1 TRP 64 -4.419 -1.989 10.142 536 HE1 TRP 64 HE1 TRP 64 -4.925 -3.180 7.922 537 HE3 TRP 64 HE3 TRP 64 0.133 -1.461 7.854 538 HZ2 TRP 64 HZ2 TRP 64 -3.589 -3.812 5.528 539 HZ3 TRP 64 HZ3 TRP 64 0.430 -2.385 5.597 540 HH2 TRP 64 HH2 TRP 64 -1.393 -3.538 4.458 541 H ALA 65 H ALA 65 -0.653 -1.792 13.512 542 HA ALA 65 HA ALA 65 0.524 0.613 14.219 543 1HB ALA 65 1HB ALA 65 0.984 -0.418 16.396 544 2HB ALA 65 2HB ALA 65 0.677 -2.014 15.709 545 3HB ALA 65 3HB ALA 65 -0.630 -0.835 15.820 546 H ARG 66 H ARG 66 2.096 -2.590 13.840 547 HA ARG 66 HA ARG 66 4.705 -1.515 14.351 548 1HB ARG 66 1HB ARG 66 5.586 -3.651 13.937 549 2HB ARG 66 2HB ARG 66 4.012 -3.956 14.654 550 1HG ARG 66 1HG ARG 66 3.149 -4.845 12.732 551 2HG ARG 66 2HG ARG 66 4.176 -3.867 11.682 552 1HD ARG 66 1HD ARG 66 5.043 -6.257 13.318 553 2HD ARG 66 2HD ARG 66 4.835 -6.207 11.566 554 HE ARG 66 HE ARG 66 6.888 -4.666 13.041 555 1HH1 ARG 66 1HH1 ARG 66 5.854 -6.413 10.183 556 2HH1 ARG 66 2HH1 ARG 66 7.390 -6.258 9.387 557 1HH2 ARG 66 1HH2 ARG 66 8.894 -4.448 11.970 558 2HH2 ARG 66 2HH2 ARG 66 9.100 -5.145 10.394 559 H VAL 67 H VAL 67 2.704 -1.813 11.553 560 HA VAL 67 HA VAL 67 4.758 -1.587 9.586 561 HB VAL 67 HB VAL 67 1.808 -0.924 9.359 562 1HG1 VAL 67 1HG1 VAL 67 3.103 0.159 7.593 563 2HG1 VAL 67 2HG1 VAL 67 2.136 -1.161 6.934 564 3HG1 VAL 67 3HG1 VAL 67 3.868 -1.379 7.192 565 1HG2 VAL 67 1HG2 VAL 67 1.599 -3.149 8.339 566 2HG2 VAL 67 2HG2 VAL 67 2.203 -3.256 9.994 567 3HG2 VAL 67 3HG2 VAL 67 3.312 -3.448 8.637 568 H ALA 68 H ALA 68 2.600 0.746 11.183 569 HA ALA 68 HA ALA 68 3.600 3.037 9.880 570 1HB ALA 68 1HB ALA 68 2.418 2.820 12.655 571 2HB ALA 68 2HB ALA 68 1.516 3.078 11.161 572 3HB ALA 68 3HB ALA 68 2.639 4.309 11.734 573 H GLN 69 H GLN 69 4.526 1.375 12.872 574 HA GLN 69 HA GLN 69 6.718 2.972 13.585 575 1HB GLN 69 1HB GLN 69 5.706 1.183 14.999 576 2HB GLN 69 2HB GLN 69 6.388 -0.029 13.930 577 1HG GLN 69 1HG GLN 69 8.112 1.949 15.397 578 2HG GLN 69 2HG GLN 69 7.588 0.438 16.133 579 1HE2 GLN 69 2HE2 GLN 69 7.755 -1.040 13.591 580 2HE2 GLN 69 1HE2 GLN 69 9.441 -1.277 13.299 581 H ARG 70 H ARG 70 6.393 0.337 11.285 582 HA ARG 70 HA ARG 70 9.069 -0.075 10.593 583 1HB ARG 70 1HB ARG 70 6.465 -0.827 9.581 584 2HB ARG 70 2HB ARG 70 7.512 -0.407 8.239 585 1HG ARG 70 1HG ARG 70 8.200 -2.422 10.376 586 2HG ARG 70 2HG ARG 70 7.508 -2.818 8.802 587 1HD ARG 70 1HD ARG 70 9.484 -1.659 7.758 588 2HD ARG 70 2HD ARG 70 10.188 -1.563 9.372 589 HE ARG 70 HE ARG 70 9.464 -4.156 8.161 590 1HH1 ARG 70 1HH1 ARG 70 11.813 -2.061 9.702 591 2HH1 ARG 70 2HH1 ARG 70 13.023 -3.298 9.820 592 1HH2 ARG 70 1HH2 ARG 70 11.062 -5.763 8.275 593 2HH2 ARG 70 2HH2 ARG 70 12.603 -5.398 8.992 594 H LEU 71 H LEU 71 6.669 2.199 9.293 595 HA LEU 71 HA LEU 71 8.641 3.379 7.507 596 1HB LEU 71 1HB LEU 71 5.722 3.930 7.976 597 2HB LEU 71 2HB LEU 71 6.720 5.003 7.009 598 HG LEU 71 HG LEU 71 7.250 3.065 5.505 599 1HD1 LEU 71 1HD1 LEU 71 6.836 1.230 7.026 600 2HD1 LEU 71 2HD1 LEU 71 5.806 1.084 5.602 601 3HD1 LEU 71 3HD1 LEU 71 5.127 1.663 7.124 602 1HD2 LEU 71 1HD2 LEU 71 5.105 3.077 4.343 603 2HD2 LEU 71 2HD2 LEU 71 5.520 4.691 4.918 604 3HD2 LEU 71 3HD2 LEU 71 4.316 3.731 5.779 605 H ASN 72 H ASN 72 8.408 3.620 10.672 606 HA ASN 72 HA ASN 72 9.412 5.054 12.116 607 1HB ASN 72 1HB ASN 72 11.186 5.505 10.666 608 2HB ASN 72 2HB ASN 72 10.159 6.283 9.475 609 1HD2 ASN 72 2HD2 ASN 72 9.707 8.423 9.648 610 2HD2 ASN 72 1HD2 ASN 72 10.520 9.481 10.756 611 H TYR 73 H TYR 73 6.563 5.362 11.005 612 HA TYR 73 HA TYR 73 5.878 8.108 11.446 613 1HB TYR 73 1HB TYR 73 4.147 5.622 11.474 614 2HB TYR 73 2HB TYR 73 3.529 7.264 11.564 615 HD1 TYR 73 HD1 TYR 73 5.244 8.598 9.495 616 HD2 TYR 73 HD2 TYR 73 3.264 4.828 9.477 617 HE1 TYR 73 HE1 TYR 73 5.088 8.694 7.041 618 HE2 TYR 73 HE2 TYR 73 3.109 4.909 7.037 619 HH TYR 73 HH TYR 73 4.831 7.183 5.151 620 HA PRO 74 HA PRO 74 5.586 8.309 15.902 621 1HB PRO 74 1HB PRO 74 2.892 9.526 15.469 622 2HB PRO 74 2HB PRO 74 4.268 10.141 16.394 623 1HG PRO 74 1HG PRO 74 3.657 11.192 14.026 624 2HG PRO 74 2HG PRO 74 5.351 10.948 14.496 625 1HD PRO 74 1HD PRO 74 3.645 9.328 12.636 626 2HD PRO 74 2HD PRO 74 5.360 9.773 12.495 627 HA PRO 75 HA PRO 75 3.176 4.739 16.975 628 1HB PRO 75 1HB PRO 75 3.098 5.025 19.687 629 2HB PRO 75 2HB PRO 75 4.546 4.512 18.812 630 1HG PRO 75 1HG PRO 75 3.820 7.234 19.845 631 2HG PRO 75 2HG PRO 75 5.376 6.383 19.930 632 1HD PRO 75 1HD PRO 75 4.877 8.303 18.090 633 2HD PRO 75 2HD PRO 75 5.931 6.914 17.748 634 H GLY 76 H GLY 76 1.230 4.162 18.430 635 1HA GLY 76 1HA GLY 76 -0.864 4.843 19.374 636 2HA GLY 76 2HA GLY 76 -0.734 6.360 18.495 637 H LYS 77 H LYS 77 0.253 3.940 16.496 638 HA LYS 77 HA LYS 77 -0.541 3.014 14.591 639 1HB LYS 77 1HB LYS 77 -2.308 1.424 14.838 640 2HB LYS 77 2HB LYS 77 -1.400 1.448 16.342 641 1HG LYS 77 1HG LYS 77 -3.139 2.817 17.382 642 2HG LYS 77 2HG LYS 77 -4.046 2.824 15.868 643 1HD LYS 77 1HD LYS 77 -4.276 0.380 16.003 644 2HD LYS 77 2HD LYS 77 -3.373 0.382 17.521 645 1HE LYS 77 1HE LYS 77 -6.014 1.766 17.031 646 2HE LYS 77 2HE LYS 77 -5.791 0.256 17.913 647 1HZ LYS 77 1HZ LYS 77 -5.996 2.093 19.436 648 2HZ LYS 77 2HZ LYS 77 -4.723 2.917 18.695 649 3HZ LYS 77 3HZ LYS 77 -4.426 1.472 19.521 650 H ASN 78 H ASN 78 -1.567 5.846 15.294 651 HA ASN 78 HA ASN 78 -4.199 6.127 14.362 652 1HB ASN 78 1HB ASN 78 -3.024 7.826 15.720 653 2HB ASN 78 2HB ASN 78 -1.978 8.190 14.352 654 1HD2 ASN 78 2HD2 ASN 78 -5.208 8.406 15.626 655 2HD2 ASN 78 1HD2 ASN 78 -5.776 9.616 14.531 656 H ILE 79 H ILE 79 -1.107 6.322 12.683 657 HA ILE 79 HA ILE 79 -2.139 7.274 10.218 658 HB ILE 79 HB ILE 79 0.443 5.753 10.720 659 1HG1 ILE 79 1HG1 ILE 79 1.437 8.117 10.468 660 2HG1 ILE 79 2HG1 ILE 79 -0.200 8.713 10.713 661 1HG2 ILE 79 1HG2 ILE 79 1.202 6.719 8.588 662 2HG2 ILE 79 2HG2 ILE 79 -0.399 7.415 8.339 663 3HG2 ILE 79 3HG2 ILE 79 -0.193 5.664 8.372 664 1HD1 ILE 79 1HD1 ILE 79 1.390 7.055 12.661 665 2HD1 ILE 79 2HD1 ILE 79 -0.248 7.659 12.916 666 3HD1 ILE 79 3HD1 ILE 79 1.095 8.791 12.762 667 H GLY 80 H GLY 80 -2.184 4.216 11.737 668 1HA GLY 80 1HA GLY 80 -2.169 2.459 9.543 669 2HA GLY 80 2HA GLY 80 -2.938 2.150 11.094 670 H SER 81 H SER 81 -4.813 4.249 11.080 671 HA SER 81 HA SER 81 -6.902 3.110 9.549 672 1HB SER 81 1HB SER 81 -6.778 5.822 10.905 673 2HB SER 81 2HB SER 81 -8.246 5.003 10.368 674 HG SER 81 HG SER 81 -8.076 3.587 11.975 675 H LEU 82 H LEU 82 -4.975 6.056 9.163 676 HA LEU 82 HA LEU 82 -6.076 7.137 6.862 677 1HB LEU 82 1HB LEU 82 -4.319 8.251 8.123 678 2HB LEU 82 2HB LEU 82 -3.187 6.967 7.756 679 HG LEU 82 HG LEU 82 -3.461 7.669 5.290 680 1HD1 LEU 82 1HD1 LEU 82 -4.083 10.010 4.928 681 2HD1 LEU 82 2HD1 LEU 82 -4.572 10.141 6.618 682 3HD1 LEU 82 3HD1 LEU 82 -5.440 9.057 5.530 683 1HD2 LEU 82 1HD2 LEU 82 -1.434 8.060 6.585 684 2HD2 LEU 82 2HD2 LEU 82 -2.125 9.542 7.246 685 3HD2 LEU 82 3HD2 LEU 82 -1.773 9.425 5.522 686 H LEU 83 H LEU 83 -3.442 4.794 7.140 687 HA LEU 83 HA LEU 83 -2.982 4.355 4.428 688 1HB LEU 83 1HB LEU 83 -1.377 3.695 6.082 689 2HB LEU 83 2HB LEU 83 -2.527 2.618 6.852 690 HG LEU 83 HG LEU 83 -2.449 1.110 4.926 691 1HD1 LEU 83 1HD1 LEU 83 -0.403 3.009 3.778 692 2HD1 LEU 83 2HD1 LEU 83 -2.043 2.775 3.173 693 3HD1 LEU 83 3HD1 LEU 83 -0.882 1.452 3.101 694 1HD2 LEU 83 1HD2 LEU 83 -0.858 0.784 6.750 695 2HD2 LEU 83 2HD2 LEU 83 0.298 1.845 5.942 696 3HD2 LEU 83 3HD2 LEU 83 -0.159 0.311 5.203 697 H ARG 84 H ARG 84 -4.931 2.390 6.700 698 HA ARG 84 HA ARG 84 -5.620 0.432 4.789 699 1HB ARG 84 1HB ARG 84 -5.842 0.545 7.465 700 2HB ARG 84 2HB ARG 84 -7.495 0.977 7.056 701 1HG ARG 84 1HG ARG 84 -6.086 -1.525 6.117 702 2HG ARG 84 2HG ARG 84 -7.174 -1.439 7.501 703 1HD ARG 84 1HD ARG 84 -9.036 -0.885 6.083 704 2HD ARG 84 2HD ARG 84 -7.979 -0.715 4.680 705 HE ARG 84 HE ARG 84 -7.794 -3.318 5.828 706 1HH1 ARG 84 1HH1 ARG 84 -9.885 -1.350 3.831 707 2HH1 ARG 84 2HH1 ARG 84 -10.480 -2.695 2.918 708 1HH2 ARG 84 1HH2 ARG 84 -8.573 -5.094 4.609 709 2HH2 ARG 84 2HH2 ARG 84 -9.719 -4.813 3.339 710 H SER 85 H SER 85 -7.213 3.417 5.803 711 HA SER 85 HA SER 85 -9.669 2.960 4.486 712 1HB SER 85 1HB SER 85 -9.287 4.643 6.314 713 2HB SER 85 2HB SER 85 -8.429 5.647 5.146 714 HG SER 85 HG SER 85 -11.064 4.736 4.665 715 H HIS 86 H HIS 86 -6.758 4.804 3.494 716 HA HIS 86 HA HIS 86 -7.912 5.527 0.971 717 1HB HIS 86 1HB HIS 86 -5.061 5.667 1.968 718 2HB HIS 86 2HB HIS 86 -5.560 6.235 0.376 719 HD1 HIS 86 HD1 HIS 86 -7.403 8.227 0.417 720 HD2 HIS 86 HD2 HIS 86 -5.387 7.477 3.971 721 HE1 HIS 86 HE1 HIS 86 -7.774 10.261 1.846 722 HE2 HIS 86 HE2 HIS 86 -6.768 9.663 4.072 723 H TYR 87 H TYR 87 -5.731 2.951 2.029 724 HA TYR 87 HA TYR 87 -5.071 1.877 -0.471 725 1HB TYR 87 1HB TYR 87 -4.158 1.168 1.803 726 2HB TYR 87 2HB TYR 87 -5.639 0.252 2.032 727 HD1 TYR 87 HD2 TYR 87 -6.169 -1.311 -0.185 728 HD2 TYR 87 HD1 TYR 87 -2.317 -0.086 1.164 729 HE1 TYR 87 HE2 TYR 87 -5.160 -3.218 -1.352 730 HE2 TYR 87 HE1 TYR 87 -1.300 -1.996 -0.006 731 HH TYR 87 HH TYR 87 -2.494 -4.530 -0.834 732 H GLU 88 H GLU 88 -7.841 1.408 1.624 733 HA GLU 88 HA GLU 88 -9.062 -0.751 0.427 734 1HB GLU 88 1HB GLU 88 -9.683 0.211 2.605 735 2HB GLU 88 2HB GLU 88 -10.387 1.600 1.790 736 1HG GLU 88 1HG GLU 88 -12.090 0.218 0.796 737 2HG GLU 88 2HG GLU 88 -11.334 -1.241 1.438 738 H ARG 89 H ARG 89 -9.158 2.624 -0.590 739 HA ARG 89 HA ARG 89 -11.149 1.891 -2.646 740 1HB ARG 89 1HB ARG 89 -10.627 4.546 -1.300 741 2HB ARG 89 2HB ARG 89 -11.696 4.346 -2.685 742 1HG ARG 89 1HG ARG 89 -13.120 2.849 -1.409 743 2HG ARG 89 2HG ARG 89 -12.028 2.954 -0.029 744 1HD ARG 89 1HD ARG 89 -13.513 5.288 -1.234 745 2HD ARG 89 2HD ARG 89 -14.042 4.390 0.188 746 HE ARG 89 HE ARG 89 -11.756 6.214 0.008 747 1HH1 ARG 89 1HH1 ARG 89 -13.707 4.032 1.936 748 2HH1 ARG 89 2HH1 ARG 89 -13.128 4.648 3.453 749 1HH2 ARG 89 1HH2 ARG 89 -11.003 7.038 2.023 750 2HH2 ARG 89 2HH2 ARG 89 -11.601 6.355 3.501 751 H ILE 90 H ILE 90 -7.898 2.661 -2.282 752 HA ILE 90 HA ILE 90 -7.768 3.667 -5.061 753 HB ILE 90 HB ILE 90 -5.938 4.303 -2.737 754 1HG1 ILE 90 1HG1 ILE 90 -8.029 5.619 -2.876 755 2HG1 ILE 90 2HG1 ILE 90 -6.607 6.618 -3.152 756 1HG2 ILE 90 1HG2 ILE 90 -4.549 3.935 -4.697 757 2HG2 ILE 90 2HG2 ILE 90 -4.613 5.657 -4.322 758 3HG2 ILE 90 3HG2 ILE 90 -5.569 5.009 -5.655 759 1HD1 ILE 90 1HD1 ILE 90 -7.027 6.523 -5.569 760 2HD1 ILE 90 2HD1 ILE 90 -8.383 7.214 -4.677 761 3HD1 ILE 90 3HD1 ILE 90 -8.470 5.554 -5.265 762 H VAL 91 H VAL 91 -6.069 1.663 -2.646 763 HA VAL 91 HA VAL 91 -4.295 0.716 -4.784 764 HB VAL 91 HB VAL 91 -3.930 0.293 -1.813 765 1HG1 VAL 91 1HG1 VAL 91 -2.634 -1.220 -3.221 766 2HG1 VAL 91 2HG1 VAL 91 -1.576 -0.064 -2.413 767 3HG1 VAL 91 3HG1 VAL 91 -1.978 0.151 -4.117 768 1HG2 VAL 91 1HG2 VAL 91 -4.034 2.694 -2.259 769 2HG2 VAL 91 2HG2 VAL 91 -2.818 2.523 -3.525 770 3HG2 VAL 91 3HG2 VAL 91 -2.391 2.203 -1.844 771 H TYR 92 H TYR 92 -7.046 -0.330 -3.099 772 HA TYR 92 HA TYR 92 -6.551 -3.049 -2.736 773 1HB TYR 92 1HB TYR 92 -8.861 -1.389 -2.647 774 2HB TYR 92 2HB TYR 92 -9.258 -2.763 -3.672 775 HD1 TYR 92 HD2 TYR 92 -7.586 -4.887 -2.294 776 HD2 TYR 92 HD1 TYR 92 -10.129 -1.870 -0.701 777 HE1 TYR 92 HE2 TYR 92 -7.945 -6.246 -0.278 778 HE2 TYR 92 HE1 TYR 92 -10.485 -3.212 1.305 779 HH TYR 92 HH TYR 92 -8.665 -6.095 1.953 780 HA PRO 93 HA PRO 93 -7.716 -3.536 -7.580 781 1HB PRO 93 1HB PRO 93 -6.111 -1.079 -8.221 782 2HB PRO 93 2HB PRO 93 -7.447 -1.814 -9.119 783 1HG PRO 93 1HG PRO 93 -7.860 0.360 -7.644 784 2HG PRO 93 2HG PRO 93 -9.063 -0.943 -7.688 785 1HD PRO 93 1HD PRO 93 -7.125 -0.227 -5.534 786 2HD PRO 93 2HD PRO 93 -8.762 -0.901 -5.402 787 H TYR 94 H TYR 94 -4.840 -2.003 -6.169 788 HA TYR 94 HA TYR 94 -2.998 -3.620 -7.672 789 1HB TYR 94 1HB TYR 94 -2.678 -1.617 -5.452 790 2HB TYR 94 2HB TYR 94 -1.324 -2.624 -5.956 791 HD1 TYR 94 HD1 TYR 94 -0.334 -2.373 -8.170 792 HD2 TYR 94 HD2 TYR 94 -3.521 0.153 -6.906 793 HE1 TYR 94 HE1 TYR 94 0.159 -0.834 -10.019 794 HE2 TYR 94 HE2 TYR 94 -3.027 1.703 -8.745 795 HH TYR 94 HH TYR 94 -1.073 2.282 -10.200 796 H GLU 95 H GLU 95 -4.609 -3.871 -4.594 797 HA GLU 95 HA GLU 95 -3.082 -5.932 -3.449 798 1HB GLU 95 1HB GLU 95 -4.858 -4.827 -2.195 799 2HB GLU 95 2HB GLU 95 -6.068 -5.401 -3.332 800 1HG GLU 95 1HG GLU 95 -6.166 -6.688 -1.291 801 2HG GLU 95 2HG GLU 95 -5.633 -7.706 -2.626 802 H MET 96 H MET 96 -5.946 -6.082 -5.540 803 HA MET 96 HA MET 96 -5.875 -8.870 -5.973 804 1HB MET 96 1HB MET 96 -7.092 -6.652 -7.639 805 2HB MET 96 2HB MET 96 -7.367 -8.367 -7.923 806 1HG MET 96 1HG MET 96 -8.085 -6.878 -5.400 807 2HG MET 96 2HG MET 96 -9.205 -7.316 -6.691 808 1HE MET 96 1HE MET 96 -9.605 -8.083 -3.576 809 2HE MET 96 2HE MET 96 -10.195 -9.737 -3.741 810 3HE MET 96 3HE MET 96 -10.766 -8.485 -4.844 811 H TYR 97 H TYR 97 -4.363 -6.161 -7.630 812 HA TYR 97 HA TYR 97 -3.422 -7.542 -9.900 813 1HB TYR 97 1HB TYR 97 -3.478 -5.110 -9.810 814 2HB TYR 97 2HB TYR 97 -2.334 -5.097 -8.476 815 HD1 TYR 97 HD2 TYR 97 -2.582 -6.260 -12.037 816 HD2 TYR 97 HD1 TYR 97 -0.098 -4.692 -8.950 817 HE1 TYR 97 HE2 TYR 97 -0.726 -6.060 -13.636 818 HE2 TYR 97 HE1 TYR 97 1.759 -4.482 -10.546 819 HH TYR 97 HH TYR 97 2.506 -5.321 -12.630 820 H GLN 98 H GLN 98 -1.575 -6.580 -6.995 821 HA GLN 98 HA GLN 98 0.739 -8.050 -7.670 822 1HB GLN 98 1HB GLN 98 -0.157 -7.095 -4.935 823 2HB GLN 98 2HB GLN 98 1.478 -7.568 -5.378 824 1HG GLN 98 1HG GLN 98 1.684 -5.679 -6.856 825 2HG GLN 98 2HG GLN 98 -0.008 -5.249 -6.606 826 1HE2 GLN 98 2HE2 GLN 98 -0.641 -4.402 -4.590 827 2HE2 GLN 98 1HE2 GLN 98 0.503 -3.679 -3.516 828 H SER 99 H SER 99 -1.720 -8.662 -5.145 829 HA SER 99 HA SER 99 -0.661 -11.184 -4.442 830 1HB SER 99 1HB SER 99 -3.434 -10.063 -3.952 831 2HB SER 99 2HB SER 99 -2.737 -11.469 -3.143 832 HG SER 99 HG SER 99 -2.588 -9.218 -2.140 833 H GLY 100 H GLY 100 -3.226 -10.207 -6.705 834 1HA GLY 100 1HA GLY 100 -4.128 -12.811 -7.328 835 2HA GLY 100 2HA GLY 100 -4.257 -11.406 -8.378 836 H ALA 101 H ALA 101 -1.408 -10.907 -8.487 837 HA ALA 101 HA ALA 101 -0.687 -12.710 -10.588 838 1HB ALA 101 1HB ALA 101 0.978 -10.608 -9.204 839 2HB ALA 101 2HB ALA 101 -0.034 -10.351 -10.626 840 3HB ALA 101 3HB ALA 101 1.375 -11.411 -10.724 841 H ASN 102 H ASN 102 0.172 -12.389 -7.185 842 HA ASN 102 HA ASN 102 2.287 -14.377 -7.378 843 1HB ASN 102 1HB ASN 102 2.272 -12.339 -5.810 844 2HB ASN 102 2HB ASN 102 1.124 -13.236 -4.829 845 1HD2 ASN 102 2HD2 ASN 102 2.410 -15.842 -5.268 846 2HD2 ASN 102 1HD2 ASN 102 3.877 -15.804 -4.364 847 H LEU 103 H LEU 103 -0.681 -14.144 -5.409 848 HA LEU 103 HA LEU 103 -1.681 -16.679 -6.132 849 1HB LEU 103 1HB LEU 103 -1.442 -17.788 -3.893 850 2HB LEU 103 2HB LEU 103 0.044 -17.646 -4.807 851 HG LEU 103 HG LEU 103 0.369 -15.470 -3.317 852 1HD1 LEU 103 1HD1 LEU 103 -0.457 -15.805 -1.030 853 2HD1 LEU 103 2HD1 LEU 103 -1.408 -17.186 -1.581 854 3HD1 LEU 103 3HD1 LEU 103 -1.772 -15.569 -2.181 855 1HD2 LEU 103 1HD2 LEU 103 1.904 -17.358 -3.390 856 2HD2 LEU 103 2HD2 LEU 103 0.856 -18.275 -2.307 857 3HD2 LEU 103 3HD2 LEU 103 1.662 -16.816 -1.729 858 H VAL 104 H VAL 104 -3.842 -16.700 -5.727 859 HA VAL 104 HA VAL 104 -4.848 -14.329 -4.331 860 HB VAL 104 HB VAL 104 -5.591 -14.516 -6.616 861 1HG1 VAL 104 1HG1 VAL 104 -7.017 -16.343 -7.409 862 2HG1 VAL 104 2HG1 VAL 104 -6.810 -17.176 -5.868 863 3HG1 VAL 104 3HG1 VAL 104 -5.424 -16.925 -6.927 864 1HG2 VAL 104 1HG2 VAL 104 -7.135 -13.516 -5.009 865 2HG2 VAL 104 2HG2 VAL 104 -7.860 -15.096 -4.702 866 3HG2 VAL 104 3HG2 VAL 104 -8.015 -14.348 -6.293 867 H CYS 105 H CYS 105 -4.503 -15.204 -2.249 868 HA CYS 105 HA CYS 105 -6.726 -16.947 -1.376 869 1HB CYS 105 1HB CYS 105 -3.959 -16.766 -0.141 870 2HB CYS 105 2HB CYS 105 -5.278 -17.790 0.418 871 HG CYS 105 HG CYS 105 -5.114 -18.749 -2.547 872 H ASN 106 H ASN 106 -6.045 -13.946 -1.622 873 HA ASN 106 HA ASN 106 -6.188 -13.024 1.139 874 1HB ASN 106 1HB ASN 106 -5.903 -10.783 0.139 875 2HB ASN 106 2HB ASN 106 -4.662 -11.898 -0.426 876 1HD2 ASN 106 2HD2 ASN 106 -5.495 -9.481 -1.700 877 2HD2 ASN 106 1HD2 ASN 106 -6.125 -9.909 -3.253 878 H THR 107 H THR 107 -8.254 -13.563 -1.558 879 HA THR 107 HA THR 107 -10.142 -11.515 -1.180 880 HB THR 107 HB THR 107 -10.629 -14.210 -2.467 881 HG1 THR 107 HG1 THR 107 -8.916 -12.214 -3.139 882 1HG2 THR 107 1HG2 THR 107 -12.216 -12.955 -3.872 883 2HG2 THR 107 2HG2 THR 107 -11.874 -11.490 -2.952 884 3HG2 THR 107 3HG2 THR 107 -12.660 -12.861 -2.168 885 H ARG 108 H ARG 108 -9.893 -14.718 0.283 886 HA ARG 108 HA ARG 108 -12.604 -14.745 1.190 887 1HB ARG 108 1HB ARG 108 -11.238 -16.811 0.773 888 2HB ARG 108 2HB ARG 108 -10.314 -16.439 2.218 889 1HG ARG 108 1HG ARG 108 -13.172 -16.475 2.759 890 2HG ARG 108 2HG ARG 108 -12.619 -17.992 2.056 891 1HD ARG 108 1HD ARG 108 -12.434 -18.252 4.395 892 2HD ARG 108 2HD ARG 108 -10.793 -17.998 3.807 893 HE ARG 108 HE ARG 108 -12.050 -15.569 4.656 894 1HH1 ARG 108 1HH1 ARG 108 -10.333 -18.405 5.775 895 2HH1 ARG 108 2HH1 ARG 108 -9.760 -17.641 7.227 896 1HH2 ARG 108 1HH2 ARG 108 -11.315 -14.576 6.607 897 2HH2 ARG 108 2HH2 ARG 108 -10.336 -15.490 7.710 898 HA PRO 109 HA PRO 109 -10.546 -13.359 5.454 899 1HB PRO 109 1HB PRO 109 -8.183 -11.971 4.265 900 2HB PRO 109 2HB PRO 109 -8.327 -12.830 5.805 901 1HG PRO 109 1HG PRO 109 -7.040 -13.942 3.761 902 2HG PRO 109 2HG PRO 109 -8.085 -14.920 4.811 903 1HD PRO 109 1HD PRO 109 -8.624 -13.859 2.060 904 2HD PRO 109 2HD PRO 109 -9.053 -15.430 2.767 905 H PHE 110 H PHE 110 -10.056 -11.618 2.430 906 HA PHE 110 HA PHE 110 -10.605 -9.009 3.156 907 1HB PHE 110 1HB PHE 110 -9.825 -9.755 0.934 908 2HB PHE 110 2HB PHE 110 -11.391 -10.478 0.623 909 HD1 PHE 110 HD1 PHE 110 -11.917 -7.378 2.266 910 HD2 PHE 110 HD2 PHE 110 -10.855 -9.074 -1.494 911 HE1 PHE 110 HE1 PHE 110 -12.631 -5.306 1.126 912 HE2 PHE 110 HE2 PHE 110 -11.575 -7.013 -2.630 913 HZ PHE 110 HZ PHE 110 -12.470 -5.133 -1.320 914 H ASP 111 H ASP 111 -12.926 -11.500 2.081 915 HA ASP 111 HA ASP 111 -15.238 -9.934 2.454 916 1HB ASP 111 1HB ASP 111 -15.185 -12.048 1.136 917 2HB ASP 111 2HB ASP 111 -15.021 -12.953 2.639 918 H ASN 112 H ASN 112 -13.392 -11.978 4.627 919 HA ASN 112 HA ASN 112 -15.260 -12.040 6.756 920 1HB ASN 112 1HB ASN 112 -13.447 -13.665 6.643 921 2HB ASN 112 2HB ASN 112 -12.250 -12.386 6.799 922 1HD2 ASN 112 2HD2 ASN 112 -15.236 -12.447 8.651 923 2HD2 ASN 112 1HD2 ASN 112 -14.497 -12.745 10.182 924 H GLU 113 H GLU 113 -12.595 -9.836 5.971 925 HA GLU 113 HA GLU 113 -12.845 -8.223 8.287 926 1HB GLU 113 1HB GLU 113 -10.856 -8.125 6.845 927 2HB GLU 113 2HB GLU 113 -11.829 -7.492 5.524 928 1HG GLU 113 1HG GLU 113 -10.535 -5.735 6.623 929 2HG GLU 113 2HG GLU 113 -12.269 -5.460 6.775 930 H GLU 114 H GLU 114 -14.348 -8.180 5.103 931 HA GLU 114 HA GLU 114 -15.913 -5.865 5.411 932 1HB GLU 114 1HB GLU 114 -15.500 -7.235 3.293 933 2HB GLU 114 2HB GLU 114 -16.724 -8.349 3.873 934 1HG GLU 114 1HG GLU 114 -17.321 -5.429 3.507 935 2HG GLU 114 2HG GLU 114 -17.383 -6.552 2.154 936 H LYS 115 H LYS 115 -16.317 -9.168 6.544 937 HA LYS 115 HA LYS 115 -18.988 -8.874 7.523 938 1HB LYS 115 1HB LYS 115 -16.832 -10.799 8.439 939 2HB LYS 115 2HB LYS 115 -18.537 -10.920 8.827 940 1HG LYS 115 1HG LYS 115 -17.391 -11.135 6.046 941 2HG LYS 115 2HG LYS 115 -17.780 -12.501 7.083 942 1HD LYS 115 1HD LYS 115 -19.694 -12.404 5.824 943 2HD LYS 115 2HD LYS 115 -20.158 -11.340 7.151 944 1HE LYS 115 1HE LYS 115 -20.740 -10.412 4.941 945 2HE LYS 115 2HE LYS 115 -19.605 -9.388 5.821 946 1HZ LYS 115 1HZ LYS 115 -18.843 -11.329 3.703 947 2HZ LYS 115 2HZ LYS 115 -17.807 -10.256 4.501 948 3HZ LYS 115 3HZ LYS 115 -19.011 -9.659 3.476 949 H ASP 116 H ASP 116 -16.004 -7.670 8.567 950 HA ASP 116 HA ASP 116 -15.332 -6.431 10.334 951 1HB ASP 116 1HB ASP 116 -18.193 -6.758 11.246 952 2HB ASP 116 2HB ASP 116 -16.987 -5.930 12.223 953 H LYS 117 H LYS 117 -17.407 -9.084 11.482 954 HA LYS 117 HA LYS 117 -15.468 -9.705 13.555 955 1HB LYS 117 1HB LYS 117 -17.365 -11.686 13.769 956 2HB LYS 117 2HB LYS 117 -17.364 -10.174 14.655 957 1HG LYS 117 1HG LYS 117 -19.550 -10.507 13.804 958 2HG LYS 117 2HG LYS 117 -18.821 -9.205 12.867 959 1HD LYS 117 1HD LYS 117 -18.422 -10.696 11.012 960 2HD LYS 117 2HD LYS 117 -18.951 -12.086 11.962 961 1HE LYS 117 1HE LYS 117 -20.682 -11.315 10.381 962 2HE LYS 117 2HE LYS 117 -21.212 -11.211 12.058 963 1HZ LYS 117 1HZ LYS 117 -20.678 -8.828 12.006 964 2HZ LYS 117 2HZ LYS 117 -21.851 -9.242 10.863 965 3HZ LYS 117 3HZ LYS 117 -20.261 -8.956 10.371 Start of MODEL 13 1 1H SER 1 1H SER 1 7.775 16.001 -3.769 2 2H SER 1 2H SER 1 6.460 16.934 -3.264 3 3H SER 1 3H SER 1 6.268 15.802 -4.502 4 HA SER 1 HA SER 1 6.904 15.215 -1.680 5 1HB SER 1 1HB SER 1 4.369 14.747 -3.278 6 2HB SER 1 2HB SER 1 4.642 14.207 -1.621 7 HG SER 1 HG SER 1 4.989 16.483 -1.113 8 H MET 2 H MET 2 6.541 14.020 -4.975 9 HA MET 2 HA MET 2 6.654 11.256 -4.374 10 1HB MET 2 1HB MET 2 7.473 12.701 -6.909 11 2HB MET 2 2HB MET 2 7.224 10.966 -6.765 12 1HG MET 2 1HG MET 2 5.124 13.095 -6.399 13 2HG MET 2 2HG MET 2 5.315 12.048 -7.804 14 1HE MET 2 1HE MET 2 2.561 12.389 -6.201 15 2HE MET 2 2HE MET 2 2.015 10.714 -6.149 16 3HE MET 2 3HE MET 2 2.749 11.356 -7.618 17 H ASN 3 H ASN 3 9.099 13.712 -4.798 18 HA ASN 3 HA ASN 3 11.315 12.182 -5.448 19 1HB ASN 3 1HB ASN 3 11.353 14.618 -5.531 20 2HB ASN 3 2HB ASN 3 11.219 14.702 -3.779 21 1HD2 ASN 3 2HD2 ASN 3 13.323 13.910 -6.457 22 2HD2 ASN 3 1HD2 ASN 3 14.794 13.920 -5.553 23 H GLU 4 H GLU 4 9.926 12.793 -2.257 24 HA GLU 4 HA GLU 4 11.977 11.848 -0.656 25 1HB GLU 4 1HB GLU 4 8.984 11.689 -0.276 26 2HB GLU 4 2HB GLU 4 10.118 11.151 0.954 27 1HG GLU 4 1HG GLU 4 9.529 13.316 1.595 28 2HG GLU 4 2HG GLU 4 11.115 13.488 0.852 29 H LEU 5 H LEU 5 9.538 10.018 -2.434 30 HA LEU 5 HA LEU 5 10.651 7.473 -1.540 31 1HB LEU 5 1HB LEU 5 8.240 7.594 -1.809 32 2HB LEU 5 2HB LEU 5 8.413 8.142 -3.465 33 HG LEU 5 HG LEU 5 9.409 5.935 -4.059 34 1HD1 LEU 5 1HD1 LEU 5 10.276 5.318 -1.858 35 2HD1 LEU 5 2HD1 LEU 5 9.220 4.065 -2.509 36 3HD1 LEU 5 3HD1 LEU 5 8.628 5.150 -1.251 37 1HD2 LEU 5 1HD2 LEU 5 6.673 5.776 -2.787 38 2HD2 LEU 5 2HD2 LEU 5 7.326 4.671 -4.000 39 3HD2 LEU 5 3HD2 LEU 5 7.025 6.358 -4.415 40 H GLU 6 H GLU 6 10.691 9.608 -4.289 41 HA GLU 6 HA GLU 6 11.857 7.702 -6.111 42 1HB GLU 6 1HB GLU 6 10.278 9.601 -6.743 43 2HB GLU 6 2HB GLU 6 11.635 10.692 -6.501 44 1HG GLU 6 1HG GLU 6 12.886 9.242 -8.190 45 2HG GLU 6 2HG GLU 6 11.319 8.533 -8.566 46 H ALA 7 H ALA 7 13.108 9.293 -3.559 47 HA ALA 7 HA ALA 7 15.390 10.581 -4.062 48 1HB ALA 7 1HB ALA 7 15.191 8.275 -2.125 49 2HB ALA 7 2HB ALA 7 14.648 9.925 -1.820 50 3HB ALA 7 3HB ALA 7 16.363 9.591 -2.061 51 H GLN 8 H GLN 8 15.078 7.046 -4.358 52 HA GLN 8 HA GLN 8 17.721 6.871 -5.577 53 1HB GLN 8 1HB GLN 8 15.614 4.728 -5.143 54 2HB GLN 8 2HB GLN 8 17.245 4.449 -5.733 55 1HG GLN 8 1HG GLN 8 17.213 3.839 -3.446 56 2HG GLN 8 2HG GLN 8 18.104 5.354 -3.560 57 1HE2 GLN 8 2HE2 GLN 8 17.736 5.871 -1.412 58 2HE2 GLN 8 1HE2 GLN 8 16.189 6.366 -0.821 59 H THR 9 H THR 9 18.057 6.389 -7.771 60 HA THR 9 HA THR 9 15.808 7.303 -9.430 61 HB THR 9 HB THR 9 18.773 7.422 -10.035 62 HG1 THR 9 HG1 THR 9 16.953 9.293 -8.894 63 1HG2 THR 9 1HG2 THR 9 18.108 9.019 -11.784 64 2HG2 THR 9 2HG2 THR 9 16.411 8.762 -11.378 65 3HG2 THR 9 3HG2 THR 9 17.367 7.442 -12.052 66 H ARG 10 H ARG 10 15.214 6.296 -11.261 67 HA ARG 10 HA ARG 10 14.920 4.746 -12.868 68 1HB ARG 10 1HB ARG 10 17.376 5.336 -13.233 69 2HB ARG 10 2HB ARG 10 17.766 3.852 -12.383 70 1HG ARG 10 1HG ARG 10 15.880 3.595 -14.652 71 2HG ARG 10 2HG ARG 10 17.534 4.045 -15.060 72 1HD ARG 10 1HD ARG 10 16.678 1.611 -13.486 73 2HD ARG 10 2HD ARG 10 17.249 1.630 -15.154 74 HE ARG 10 HE ARG 10 18.960 2.486 -12.906 75 1HH1 ARG 10 1HH1 ARG 10 18.450 0.600 -15.810 76 2HH1 ARG 10 2HH1 ARG 10 20.059 -0.049 -15.816 77 1HH2 ARG 10 1HH2 ARG 10 21.077 1.665 -12.925 78 2HH2 ARG 10 2HH2 ARG 10 21.562 0.569 -14.181 79 H VAL 11 H VAL 11 15.235 3.985 -9.724 80 HA VAL 11 HA VAL 11 14.505 1.173 -10.214 81 HB VAL 11 HB VAL 11 16.335 1.378 -8.620 82 1HG1 VAL 11 1HG1 VAL 11 14.472 3.085 -6.967 83 2HG1 VAL 11 2HG1 VAL 11 15.915 3.638 -7.816 84 3HG1 VAL 11 3HG1 VAL 11 16.064 2.512 -6.467 85 1HG2 VAL 11 1HG2 VAL 11 15.366 0.135 -6.737 86 2HG2 VAL 11 2HG2 VAL 11 14.731 -0.433 -8.282 87 3HG2 VAL 11 3HG2 VAL 11 13.748 0.610 -7.255 88 H LYS 12 H LYS 12 13.538 4.142 -8.560 89 HA LYS 12 HA LYS 12 10.979 3.075 -7.764 90 1HB LYS 12 1HB LYS 12 11.915 5.959 -7.745 91 2HB LYS 12 2HB LYS 12 10.547 5.293 -6.865 92 1HG LYS 12 1HG LYS 12 13.459 4.665 -6.386 93 2HG LYS 12 2HG LYS 12 12.421 5.672 -5.376 94 1HD LYS 12 1HD LYS 12 11.000 3.716 -4.904 95 2HD LYS 12 2HD LYS 12 12.057 2.713 -5.901 96 1HE LYS 12 1HE LYS 12 12.678 2.353 -3.626 97 2HE LYS 12 2HE LYS 12 13.944 3.330 -4.362 98 1HZ LYS 12 1HZ LYS 12 11.864 4.161 -2.436 99 2HZ LYS 12 2HZ LYS 12 12.671 5.297 -3.395 100 3HZ LYS 12 3HZ LYS 12 13.544 4.333 -2.319 101 H LEU 13 H LEU 13 12.316 4.678 -10.491 102 HA LEU 13 HA LEU 13 10.029 6.000 -11.484 103 1HB LEU 13 1HB LEU 13 12.458 4.942 -12.944 104 2HB LEU 13 2HB LEU 13 11.260 6.010 -13.651 105 HG LEU 13 HG LEU 13 13.078 6.687 -11.327 106 1HD1 LEU 13 1HD1 LEU 13 14.128 8.252 -12.886 107 2HD1 LEU 13 2HD1 LEU 13 13.084 7.667 -14.183 108 3HD1 LEU 13 3HD1 LEU 13 14.271 6.587 -13.450 109 1HD2 LEU 13 1HD2 LEU 13 10.916 7.801 -11.115 110 2HD2 LEU 13 2HD2 LEU 13 11.048 8.401 -12.769 111 3HD2 LEU 13 3HD2 LEU 13 12.179 8.956 -11.533 112 H ASN 14 H ASN 14 11.396 2.798 -12.189 113 HA ASN 14 HA ASN 14 9.531 1.911 -14.051 114 1HB ASN 14 1HB ASN 14 11.624 0.712 -13.436 115 2HB ASN 14 2HB ASN 14 10.906 0.280 -11.890 116 1HD2 ASN 14 2HD2 ASN 14 11.919 -1.372 -14.110 117 2HD2 ASN 14 1HD2 ASN 14 10.617 -2.428 -14.532 118 H TYR 15 H TYR 15 9.501 1.543 -10.520 119 HA TYR 15 HA TYR 15 6.978 0.367 -10.266 120 1HB TYR 15 1HB TYR 15 8.622 0.446 -8.438 121 2HB TYR 15 2HB TYR 15 8.426 2.191 -8.322 122 HD1 TYR 15 HD2 TYR 15 6.617 -1.033 -7.924 123 HD2 TYR 15 HD1 TYR 15 6.723 3.114 -6.959 124 HE1 TYR 15 HE2 TYR 15 4.804 -1.370 -6.301 125 HE2 TYR 15 HE1 TYR 15 4.907 2.786 -5.328 126 HH TYR 15 HH TYR 15 3.873 -0.324 -4.324 127 H LEU 16 H LEU 16 7.951 3.734 -10.541 128 HA LEU 16 HA LEU 16 5.521 4.964 -9.875 129 1HB LEU 16 1HB LEU 16 7.823 6.021 -10.202 130 2HB LEU 16 2HB LEU 16 7.503 5.980 -11.922 131 HG LEU 16 HG LEU 16 5.744 7.465 -9.955 132 1HD1 LEU 16 1HD1 LEU 16 6.907 9.501 -10.639 133 2HD1 LEU 16 2HD1 LEU 16 8.030 8.545 -11.607 134 3HD1 LEU 16 3HD1 LEU 16 8.008 8.371 -9.853 135 1HD2 LEU 16 1HD2 LEU 16 6.018 7.646 -12.962 136 2HD2 LEU 16 2HD2 LEU 16 5.018 8.700 -11.962 137 3HD2 LEU 16 3HD2 LEU 16 4.648 6.981 -12.072 138 H ASP 17 H ASP 17 6.845 4.062 -13.067 139 HA ASP 17 HA ASP 17 4.650 4.734 -14.634 140 1HB ASP 17 1HB ASP 17 6.808 2.657 -14.938 141 2HB ASP 17 2HB ASP 17 5.491 2.729 -16.103 142 H GLN 18 H GLN 18 5.341 1.687 -12.938 143 HA GLN 18 HA GLN 18 3.063 0.271 -13.781 144 1HB GLN 18 1HB GLN 18 4.928 -0.843 -12.653 145 2HB GLN 18 2HB GLN 18 4.603 0.059 -11.178 146 1HG GLN 18 1HG GLN 18 2.348 -1.045 -11.104 147 2HG GLN 18 2HG GLN 18 2.872 -2.060 -12.445 148 1HE2 GLN 18 2HE2 GLN 18 4.967 -1.018 -9.832 149 2HE2 GLN 18 1HE2 GLN 18 5.171 -2.579 -9.125 150 H ILE 19 H ILE 19 3.600 2.164 -10.830 151 HA ILE 19 HA ILE 19 1.066 1.563 -9.695 152 HB ILE 19 HB ILE 19 3.224 2.186 -8.459 153 1HG1 ILE 19 1HG1 ILE 19 1.959 3.407 -6.636 154 2HG1 ILE 19 2HG1 ILE 19 0.580 3.472 -7.731 155 1HG2 ILE 19 1HG2 ILE 19 3.781 4.209 -9.682 156 2HG2 ILE 19 2HG2 ILE 19 3.570 4.566 -7.969 157 3HG2 ILE 19 3HG2 ILE 19 2.300 4.984 -9.119 158 1HD1 ILE 19 1HD1 ILE 19 0.380 1.638 -6.156 159 2HD1 ILE 19 2HD1 ILE 19 1.915 0.970 -6.716 160 3HD1 ILE 19 3HD1 ILE 19 0.529 1.034 -7.806 161 H ALA 20 H ALA 20 2.165 3.981 -11.893 162 HA ALA 20 HA ALA 20 -0.135 5.706 -11.425 163 1HB ALA 20 1HB ALA 20 0.839 7.143 -13.143 164 2HB ALA 20 2HB ALA 20 2.067 5.922 -13.481 165 3HB ALA 20 3HB ALA 20 2.036 6.728 -11.914 166 H LYS 21 H LYS 21 1.179 3.711 -14.060 167 HA LYS 21 HA LYS 21 -0.877 4.317 -15.895 168 1HB LYS 21 1HB LYS 21 1.380 3.521 -16.536 169 2HB LYS 21 2HB LYS 21 1.005 1.945 -15.863 170 1HG LYS 21 1HG LYS 21 0.557 1.490 -18.034 171 2HG LYS 21 2HG LYS 21 -1.025 2.117 -17.582 172 1HD LYS 21 1HD LYS 21 1.173 3.747 -18.875 173 2HD LYS 21 2HD LYS 21 -0.165 3.006 -19.745 174 1HE LYS 21 1HE LYS 21 -0.987 5.126 -19.482 175 2HE LYS 21 2HE LYS 21 -1.611 4.383 -18.015 176 1HZ LYS 21 1HZ LYS 21 -0.659 6.477 -17.464 177 2HZ LYS 21 2HZ LYS 21 0.783 6.113 -18.265 178 3HZ LYS 21 3HZ LYS 21 0.377 5.285 -16.854 179 H PHE 22 H PHE 22 -0.371 1.434 -13.827 180 HA PHE 22 HA PHE 22 -2.532 -0.047 -14.855 181 1HB PHE 22 1HB PHE 22 -0.873 -1.179 -13.527 182 2HB PHE 22 2HB PHE 22 -1.189 -0.140 -12.141 183 HD1 PHE 22 HD1 PHE 22 -2.615 -2.862 -14.225 184 HD2 PHE 22 HD2 PHE 22 -2.907 -0.647 -10.601 185 HE1 PHE 22 HE1 PHE 22 -4.273 -4.470 -13.372 186 HE2 PHE 22 HE2 PHE 22 -4.555 -2.249 -9.737 187 HZ PHE 22 HZ PHE 22 -5.244 -4.167 -11.127 188 H TRP 23 H TRP 23 -2.355 2.003 -11.965 189 HA TRP 23 HA TRP 23 -5.069 1.717 -11.237 190 1HB TRP 23 1HB TRP 23 -3.347 2.418 -9.650 191 2HB TRP 23 2HB TRP 23 -3.082 3.897 -10.559 192 HD1 TRP 23 HD1 TRP 23 -3.879 5.728 -8.994 193 HE1 TRP 23 HE1 TRP 23 -6.050 6.252 -7.722 194 HE3 TRP 23 HE3 TRP 23 -6.408 1.381 -9.878 195 HZ2 TRP 23 HZ2 TRP 23 -8.503 4.973 -7.138 196 HZ3 TRP 23 HZ3 TRP 23 -8.656 1.102 -8.931 197 HH2 TRP 23 HH2 TRP 23 -9.684 2.866 -7.582 198 H GLU 24 H GLU 24 -3.389 3.971 -13.351 199 HA GLU 24 HA GLU 24 -5.438 5.894 -13.574 200 1HB GLU 24 1HB GLU 24 -3.090 6.243 -14.302 201 2HB GLU 24 2HB GLU 24 -3.339 5.105 -15.618 202 1HG GLU 24 1HG GLU 24 -4.973 6.586 -16.627 203 2HG GLU 24 2HG GLU 24 -4.825 7.706 -15.273 204 H ILE 25 H ILE 25 -4.588 3.140 -15.673 205 HA ILE 25 HA ILE 25 -6.873 3.471 -17.358 206 HB ILE 25 HB ILE 25 -4.675 1.440 -17.142 207 1HG1 ILE 25 1HG1 ILE 25 -4.273 2.083 -19.474 208 2HG1 ILE 25 2HG1 ILE 25 -5.727 3.075 -19.472 209 1HG2 ILE 25 1HG2 ILE 25 -6.625 0.032 -17.486 210 2HG2 ILE 25 2HG2 ILE 25 -5.650 0.092 -18.953 211 3HG2 ILE 25 3HG2 ILE 25 -7.138 1.032 -18.844 212 1HD1 ILE 25 1HD1 ILE 25 -3.269 3.547 -17.799 213 2HD1 ILE 25 2HD1 ILE 25 -4.718 4.552 -17.816 214 3HD1 ILE 25 3HD1 ILE 25 -3.718 4.421 -19.263 215 H GLN 26 H GLN 26 -6.390 2.011 -14.319 216 HA GLN 26 HA GLN 26 -8.381 0.008 -14.372 217 1HB GLN 26 1HB GLN 26 -6.632 0.342 -12.576 218 2HB GLN 26 2HB GLN 26 -7.593 1.686 -11.977 219 1HG GLN 26 1HG GLN 26 -8.026 -0.281 -10.659 220 2HG GLN 26 2HG GLN 26 -9.470 0.148 -11.572 221 1HE2 GLN 26 2HE2 GLN 26 -6.690 -1.441 -12.994 222 2HE2 GLN 26 1HE2 GLN 26 -7.463 -2.961 -13.276 223 H GLY 27 H GLY 27 -8.590 3.372 -14.594 224 1HA GLY 27 1HA GLY 27 -10.719 4.276 -15.341 225 2HA GLY 27 2HA GLY 27 -11.511 3.247 -14.154 226 H SER 28 H SER 28 -8.573 4.924 -13.368 227 HA SER 28 HA SER 28 -9.978 7.071 -12.002 228 1HB SER 28 1HB SER 28 -10.057 5.138 -10.418 229 2HB SER 28 2HB SER 28 -8.294 5.095 -10.431 230 HG SER 28 HG SER 28 -9.433 6.332 -8.692 231 H SER 29 H SER 29 -8.022 8.056 -10.432 232 HA SER 29 HA SER 29 -5.633 8.314 -12.138 233 1HB SER 29 1HB SER 29 -7.059 10.327 -12.383 234 2HB SER 29 2HB SER 29 -7.023 10.561 -10.636 235 HG SER 29 HG SER 29 -4.895 10.767 -12.492 236 H LEU 30 H LEU 30 -3.672 8.547 -11.015 237 HA LEU 30 HA LEU 30 -3.625 7.219 -8.496 238 1HB LEU 30 1HB LEU 30 -1.856 6.918 -10.171 239 2HB LEU 30 2HB LEU 30 -1.389 8.600 -9.987 240 HG LEU 30 HG LEU 30 -0.732 8.170 -7.648 241 1HD1 LEU 30 1HD1 LEU 30 -0.617 5.872 -6.800 242 2HD1 LEU 30 2HD1 LEU 30 -1.435 5.294 -8.252 243 3HD1 LEU 30 3HD1 LEU 30 -2.280 6.359 -7.129 244 1HD2 LEU 30 1HD2 LEU 30 0.930 7.964 -9.430 245 2HD2 LEU 30 2HD2 LEU 30 0.520 6.257 -9.619 246 3HD2 LEU 30 3HD2 LEU 30 1.253 6.829 -8.119 247 H LYS 31 H LYS 31 -3.735 8.035 -6.541 248 HA LYS 31 HA LYS 31 -2.802 10.748 -5.996 249 1HB LYS 31 1HB LYS 31 -5.210 10.987 -6.426 250 2HB LYS 31 2HB LYS 31 -5.557 9.729 -5.245 251 1HG LYS 31 1HG LYS 31 -4.539 11.181 -3.491 252 2HG LYS 31 2HG LYS 31 -4.381 12.455 -4.704 253 1HD LYS 31 1HD LYS 31 -6.801 12.469 -5.027 254 2HD LYS 31 2HD LYS 31 -6.977 11.153 -3.864 255 1HE LYS 31 1HE LYS 31 -5.984 12.630 -2.124 256 2HE LYS 31 2HE LYS 31 -5.975 13.946 -3.300 257 1HZ LYS 31 1HZ LYS 31 -8.372 12.502 -2.311 258 2HZ LYS 31 2HZ LYS 31 -8.385 13.732 -3.474 259 3HZ LYS 31 3HZ LYS 31 -7.911 14.073 -1.888 260 H ILE 32 H ILE 32 -1.178 10.160 -4.669 261 HA ILE 32 HA ILE 32 -1.876 8.548 -2.302 262 HB ILE 32 HB ILE 32 0.568 8.014 -2.117 263 1HG1 ILE 32 1HG1 ILE 32 0.662 9.195 -4.911 264 2HG1 ILE 32 2HG1 ILE 32 1.485 9.825 -3.489 265 1HG2 ILE 32 1HG2 ILE 32 -1.022 6.401 -3.014 266 2HG2 ILE 32 2HG2 ILE 32 0.534 6.261 -3.832 267 3HG2 ILE 32 3HG2 ILE 32 -0.814 7.070 -4.633 268 1HD1 ILE 32 1HD1 ILE 32 3.027 8.642 -4.927 269 2HD1 ILE 32 2HD1 ILE 32 2.032 7.187 -4.834 270 3HD1 ILE 32 3HD1 ILE 32 2.847 7.795 -3.391 271 HA PRO 33 HA PRO 33 -1.099 12.440 -0.330 272 1HB PRO 33 1HB PRO 33 -2.039 11.834 2.089 273 2HB PRO 33 2HB PRO 33 -3.117 11.868 0.686 274 1HG PRO 33 1HG PRO 33 -1.883 9.513 2.070 275 2HG PRO 33 2HG PRO 33 -3.530 9.707 1.439 276 1HD PRO 33 1HD PRO 33 -1.449 8.414 0.111 277 2HD PRO 33 2HD PRO 33 -2.914 9.054 -0.662 278 H ASN 34 H ASN 34 -0.293 13.044 2.017 279 HA ASN 34 HA ASN 34 1.996 11.431 2.847 280 1HB ASN 34 1HB ASN 34 3.372 13.556 3.018 281 2HB ASN 34 2HB ASN 34 3.077 12.975 1.387 282 1HD2 ASN 34 2HD2 ASN 34 1.645 14.116 0.049 283 2HD2 ASN 34 1HD2 ASN 34 1.175 15.744 0.392 284 H VAL 35 H VAL 35 2.572 11.663 4.968 285 HA VAL 35 HA VAL 35 0.893 13.385 6.628 286 HB VAL 35 HB VAL 35 -0.190 11.136 6.551 287 1HG1 VAL 35 1HG1 VAL 35 1.798 9.770 6.216 288 2HG1 VAL 35 2HG1 VAL 35 0.890 9.224 7.623 289 3HG1 VAL 35 3HG1 VAL 35 2.362 10.168 7.839 290 1HG2 VAL 35 1HG2 VAL 35 -0.415 10.838 8.984 291 2HG2 VAL 35 2HG2 VAL 35 -0.490 12.537 8.519 292 3HG2 VAL 35 3HG2 VAL 35 0.983 11.885 9.233 293 H GLU 36 H GLU 36 1.899 14.088 8.518 294 HA GLU 36 HA GLU 36 3.583 14.634 9.932 295 1HB GLU 36 1HB GLU 36 4.722 11.917 9.240 296 2HB GLU 36 2HB GLU 36 5.156 12.908 10.622 297 1HG GLU 36 1HG GLU 36 2.560 11.485 10.104 298 2HG GLU 36 2HG GLU 36 3.702 11.222 11.418 299 H ARG 37 H ARG 37 3.755 15.033 6.988 300 HA ARG 37 HA ARG 37 5.089 16.143 5.535 301 1HB ARG 37 1HB ARG 37 7.013 16.126 7.855 302 2HB ARG 37 2HB ARG 37 7.492 16.732 6.279 303 1HG ARG 37 1HG ARG 37 6.842 18.583 7.646 304 2HG ARG 37 2HG ARG 37 5.630 18.368 6.384 305 1HD ARG 37 1HD ARG 37 4.138 17.282 7.955 306 2HD ARG 37 2HD ARG 37 5.367 17.355 9.220 307 HE ARG 37 HE ARG 37 4.104 19.751 8.027 308 1HH1 ARG 37 1HH1 ARG 37 5.388 18.002 10.780 309 2HH1 ARG 37 2HH1 ARG 37 5.025 19.270 11.909 310 1HH2 ARG 37 1HH2 ARG 37 3.645 21.426 9.503 311 2HH2 ARG 37 2HH2 ARG 37 4.033 21.224 11.184 312 H ARG 38 H ARG 38 5.140 13.118 6.188 313 HA ARG 38 HA ARG 38 7.366 12.471 4.363 314 1HB ARG 38 1HB ARG 38 7.695 11.388 6.524 315 2HB ARG 38 2HB ARG 38 6.057 10.747 6.493 316 1HG ARG 38 1HG ARG 38 7.646 9.005 5.943 317 2HG ARG 38 2HG ARG 38 6.643 9.370 4.538 318 1HD ARG 38 1HD ARG 38 8.519 10.907 3.777 319 2HD ARG 38 2HD ARG 38 9.503 10.173 5.044 320 HE ARG 38 HE ARG 38 8.237 8.349 3.155 321 1HH1 ARG 38 1HH1 ARG 38 11.144 10.034 4.165 322 2HH1 ARG 38 2HH1 ARG 38 12.185 9.075 3.162 323 1HH2 ARG 38 1HH2 ARG 38 9.611 7.119 1.824 324 2HH2 ARG 38 2HH2 ARG 38 11.323 7.432 1.838 325 H ILE 39 H ILE 39 6.850 11.506 2.465 326 HA ILE 39 HA ILE 39 4.174 11.354 1.583 327 HB ILE 39 HB ILE 39 6.030 11.665 0.011 328 1HG1 ILE 39 1HG1 ILE 39 4.484 9.099 -0.480 329 2HG1 ILE 39 2HG1 ILE 39 3.929 10.727 -0.853 330 1HG2 ILE 39 1HG2 ILE 39 6.790 8.811 0.659 331 2HG2 ILE 39 2HG2 ILE 39 7.696 10.253 1.115 332 3HG2 ILE 39 3HG2 ILE 39 7.527 9.820 -0.586 333 1HD1 ILE 39 1HD1 ILE 39 4.671 9.598 -2.853 334 2HD1 ILE 39 2HD1 ILE 39 6.251 9.295 -2.132 335 3HD1 ILE 39 3HD1 ILE 39 5.747 10.947 -2.491 336 H LEU 40 H LEU 40 2.806 9.599 1.295 337 HA LEU 40 HA LEU 40 3.178 7.349 3.024 338 1HB LEU 40 1HB LEU 40 0.954 8.384 2.396 339 2HB LEU 40 2HB LEU 40 1.142 7.670 0.806 340 HG LEU 40 HG LEU 40 1.136 5.416 1.824 341 1HD1 LEU 40 1HD1 LEU 40 0.503 5.146 4.179 342 2HD1 LEU 40 2HD1 LEU 40 0.595 6.894 4.403 343 3HD1 LEU 40 3HD1 LEU 40 2.049 5.977 4.010 344 1HD2 LEU 40 1HD2 LEU 40 -1.240 5.363 2.420 345 2HD2 LEU 40 2HD2 LEU 40 -0.960 6.386 1.013 346 3HD2 LEU 40 3HD2 LEU 40 -1.244 7.119 2.593 347 H ASP 41 H ASP 41 4.902 6.112 2.468 348 HA ASP 41 HA ASP 41 5.721 5.696 -0.224 349 1HB ASP 41 1HB ASP 41 6.567 4.289 2.324 350 2HB ASP 41 2HB ASP 41 7.336 4.056 0.760 351 H LEU 42 H LEU 42 3.994 4.806 -1.315 352 HA LEU 42 HA LEU 42 2.530 2.543 -0.548 353 1HB LEU 42 1HB LEU 42 2.256 4.332 -2.501 354 2HB LEU 42 2HB LEU 42 3.073 3.102 -3.442 355 HG LEU 42 HG LEU 42 0.485 2.659 -1.932 356 1HD1 LEU 42 1HD1 LEU 42 0.099 4.244 -3.702 357 2HD1 LEU 42 2HD1 LEU 42 -0.573 2.683 -4.169 358 3HD1 LEU 42 3HD1 LEU 42 0.956 3.226 -4.857 359 1HD2 LEU 42 1HD2 LEU 42 1.906 0.942 -3.972 360 2HD2 LEU 42 2HD2 LEU 42 0.318 0.616 -3.283 361 3HD2 LEU 42 3HD2 LEU 42 1.745 0.599 -2.249 362 H TYR 43 H TYR 43 5.567 2.917 -2.268 363 HA TYR 43 HA TYR 43 5.923 0.282 -3.182 364 1HB TYR 43 1HB TYR 43 7.263 2.500 -3.654 365 2HB TYR 43 2HB TYR 43 8.240 1.987 -2.287 366 HD1 TYR 43 HD1 TYR 43 7.670 -1.099 -3.275 367 HD2 TYR 43 HD2 TYR 43 9.368 2.420 -4.974 368 HE1 TYR 43 HE1 TYR 43 9.008 -2.483 -4.803 369 HE2 TYR 43 HE2 TYR 43 10.704 1.043 -6.504 370 HH TYR 43 HH TYR 43 11.592 -1.264 -6.620 371 H SER 44 H SER 44 7.265 1.890 -0.297 372 HA SER 44 HA SER 44 8.407 -0.361 0.891 373 1HB SER 44 1HB SER 44 7.240 2.055 2.305 374 2HB SER 44 2HB SER 44 8.473 0.962 2.936 375 HG SER 44 HG SER 44 9.302 2.949 2.035 376 H LEU 45 H LEU 45 5.165 0.993 1.115 377 HA LEU 45 HA LEU 45 4.179 -0.706 3.124 378 1HB LEU 45 1HB LEU 45 3.144 1.440 2.304 379 2HB LEU 45 2HB LEU 45 2.618 0.584 0.873 380 HG LEU 45 HG LEU 45 0.905 0.967 2.748 381 1HD1 LEU 45 1HD1 LEU 45 1.308 -1.847 1.739 382 2HD1 LEU 45 2HD1 LEU 45 0.505 -0.541 0.868 383 3HD1 LEU 45 3HD1 LEU 45 -0.196 -1.163 2.361 384 1HD2 LEU 45 1HD2 LEU 45 2.347 0.317 4.614 385 2HD2 LEU 45 2HD2 LEU 45 2.424 -1.331 3.990 386 3HD2 LEU 45 3HD2 LEU 45 0.888 -0.671 4.552 387 H SER 46 H SER 46 4.317 -1.004 -0.401 388 HA SER 46 HA SER 46 2.786 -3.335 -0.686 389 1HB SER 46 1HB SER 46 5.158 -2.454 -2.366 390 2HB SER 46 2HB SER 46 3.918 -3.609 -2.852 391 HG SER 46 HG SER 46 2.949 -1.167 -2.011 392 H LYS 47 H LYS 47 6.327 -2.941 -0.382 393 HA LYS 47 HA LYS 47 6.891 -5.709 -0.432 394 1HB LYS 47 1HB LYS 47 9.124 -5.106 0.446 395 2HB LYS 47 2HB LYS 47 8.645 -4.103 -0.916 396 1HG LYS 47 1HG LYS 47 8.051 -2.296 0.618 397 2HG LYS 47 2HG LYS 47 8.519 -3.300 1.988 398 1HD LYS 47 1HD LYS 47 10.459 -2.654 -0.224 399 2HD LYS 47 2HD LYS 47 10.200 -1.548 1.123 400 1HE LYS 47 1HE LYS 47 12.120 -2.927 1.589 401 2HE LYS 47 2HE LYS 47 10.818 -3.365 2.690 402 1HZ LYS 47 1HZ LYS 47 11.986 -5.294 1.790 403 2HZ LYS 47 2HZ LYS 47 11.535 -4.856 0.222 404 3HZ LYS 47 3HZ LYS 47 10.358 -5.298 1.349 405 H ILE 48 H ILE 48 6.101 -3.501 2.197 406 HA ILE 48 HA ILE 48 6.707 -5.250 4.338 407 HB ILE 48 HB ILE 48 4.766 -2.942 4.146 408 1HG1 ILE 48 1HG1 ILE 48 7.447 -3.219 5.540 409 2HG1 ILE 48 2HG1 ILE 48 7.178 -2.395 4.007 410 1HG2 ILE 48 1HG2 ILE 48 5.517 -4.528 6.609 411 2HG2 ILE 48 2HG2 ILE 48 3.927 -4.462 5.850 412 3HG2 ILE 48 3HG2 ILE 48 4.601 -3.021 6.607 413 1HD1 ILE 48 1HD1 ILE 48 6.053 -1.596 6.682 414 2HD1 ILE 48 2HD1 ILE 48 5.721 -0.786 5.150 415 3HD1 ILE 48 3HD1 ILE 48 7.358 -0.800 5.804 416 H VAL 49 H VAL 49 3.602 -4.567 2.699 417 HA VAL 49 HA VAL 49 2.011 -6.312 4.188 418 HB VAL 49 HB VAL 49 1.731 -5.458 1.289 419 1HG1 VAL 49 1HG1 VAL 49 0.484 -7.528 1.625 420 2HG1 VAL 49 2HG1 VAL 49 -0.622 -6.166 1.456 421 3HG1 VAL 49 3HG1 VAL 49 -0.298 -6.846 3.051 422 1HG2 VAL 49 1HG2 VAL 49 1.633 -3.626 2.899 423 2HG2 VAL 49 2HG2 VAL 49 0.389 -4.478 3.814 424 3HG2 VAL 49 3HG2 VAL 49 0.048 -3.907 2.180 425 H VAL 50 H VAL 50 3.768 -6.925 1.135 426 HA VAL 50 HA VAL 50 3.047 -9.645 0.889 427 HB VAL 50 HB VAL 50 5.570 -8.277 -0.096 428 1HG1 VAL 50 1HG1 VAL 50 5.665 -10.095 -1.758 429 2HG1 VAL 50 2HG1 VAL 50 4.294 -10.876 -0.969 430 3HG1 VAL 50 3HG1 VAL 50 5.822 -10.699 -0.108 431 1HG2 VAL 50 1HG2 VAL 50 4.365 -8.043 -2.227 432 2HG2 VAL 50 2HG2 VAL 50 3.550 -7.182 -0.922 433 3HG2 VAL 50 3HG2 VAL 50 2.921 -8.731 -1.483 434 H GLU 51 H GLU 51 5.672 -8.025 2.575 435 HA GLU 51 HA GLU 51 7.119 -10.354 3.323 436 1HB GLU 51 1HB GLU 51 8.027 -8.032 3.213 437 2HB GLU 51 2HB GLU 51 7.065 -7.617 4.620 438 1HG GLU 51 1HG GLU 51 8.357 -9.038 6.025 439 2HG GLU 51 2HG GLU 51 9.175 -9.764 4.639 440 H GLU 52 H GLU 52 4.378 -8.671 4.640 441 HA GLU 52 HA GLU 52 4.472 -10.097 7.170 442 1HB GLU 52 1HB GLU 52 2.682 -7.942 6.062 443 2HB GLU 52 2HB GLU 52 2.316 -8.754 7.573 444 1HG GLU 52 1HG GLU 52 4.851 -7.228 6.981 445 2HG GLU 52 2HG GLU 52 3.480 -6.609 7.897 446 H GLY 53 H GLY 53 2.853 -10.325 4.096 447 1HA GLY 53 1HA GLY 53 2.359 -12.622 3.481 448 2HA GLY 53 2HA GLY 53 1.712 -12.864 5.089 449 H GLY 54 H GLY 54 0.384 -9.984 4.479 450 1HA GLY 54 1HA GLY 54 -1.339 -10.220 2.337 451 2HA GLY 54 2HA GLY 54 -2.113 -11.120 3.629 452 H TYR 55 H TYR 55 -2.655 -8.500 2.134 453 HA TYR 55 HA TYR 55 -2.573 -6.321 3.854 454 1HB TYR 55 1HB TYR 55 -3.262 -5.987 1.590 455 2HB TYR 55 2HB TYR 55 -4.587 -7.132 1.749 456 HD1 TYR 55 HD2 TYR 55 -3.407 -3.862 3.130 457 HD2 TYR 55 HD1 TYR 55 -6.740 -6.317 2.143 458 HE1 TYR 55 HE2 TYR 55 -4.930 -2.008 3.670 459 HE2 TYR 55 HE1 TYR 55 -8.270 -4.470 2.678 460 HH TYR 55 HH TYR 55 -8.288 -2.425 4.023 461 H GLU 56 H GLU 56 -5.239 -8.642 3.443 462 HA GLU 56 HA GLU 56 -6.911 -7.561 5.401 463 1HB GLU 56 1HB GLU 56 -6.744 -10.403 4.375 464 2HB GLU 56 2HB GLU 56 -8.021 -9.815 5.431 465 1HG GLU 56 1HG GLU 56 -8.901 -9.768 3.251 466 2HG GLU 56 2HG GLU 56 -8.540 -8.093 3.673 467 H ALA 57 H ALA 57 -4.361 -9.989 5.656 468 HA ALA 57 HA ALA 57 -4.868 -10.819 8.287 469 1HB ALA 57 1HB ALA 57 -2.196 -10.612 6.877 470 2HB ALA 57 2HB ALA 57 -3.299 -11.988 6.804 471 3HB ALA 57 3HB ALA 57 -2.527 -11.557 8.330 472 H ILE 58 H ILE 58 -2.789 -8.228 7.040 473 HA ILE 58 HA ILE 58 -1.937 -7.265 9.569 474 HB ILE 58 HB ILE 58 -2.165 -5.684 6.999 475 1HG1 ILE 58 1HG1 ILE 58 0.183 -7.329 7.986 476 2HG1 ILE 58 2HG1 ILE 58 -0.904 -7.813 6.690 477 1HG2 ILE 58 1HG2 ILE 58 -0.340 -5.320 9.373 478 2HG2 ILE 58 2HG2 ILE 58 -1.748 -4.327 8.996 479 3HG2 ILE 58 3HG2 ILE 58 -0.356 -4.331 7.913 480 1HD1 ILE 58 1HD1 ILE 58 1.136 -6.919 5.781 481 2HD1 ILE 58 2HD1 ILE 58 0.920 -5.423 6.688 482 3HD1 ILE 58 3HD1 ILE 58 -0.210 -5.845 5.400 483 H CYS 59 H CYS 59 -4.772 -6.730 7.611 484 HA CYS 59 HA CYS 59 -5.628 -4.343 8.936 485 1HB CYS 59 1HB CYS 59 -7.058 -6.276 7.095 486 2HB CYS 59 2HB CYS 59 -7.808 -4.817 7.742 487 HG CYS 59 HG CYS 59 -5.472 -5.142 5.342 488 H LYS 60 H LYS 60 -6.535 -7.771 9.160 489 HA LYS 60 HA LYS 60 -8.548 -7.333 11.133 490 1HB LYS 60 1HB LYS 60 -7.097 -9.916 10.520 491 2HB LYS 60 2HB LYS 60 -8.650 -9.748 11.325 492 1HG LYS 60 1HG LYS 60 -7.996 -9.298 8.425 493 2HG LYS 60 2HG LYS 60 -9.083 -10.493 9.123 494 1HD LYS 60 1HD LYS 60 -9.520 -7.501 9.132 495 2HD LYS 60 2HD LYS 60 -10.280 -8.640 8.026 496 1HE LYS 60 1HE LYS 60 -11.267 -9.782 10.048 497 2HE LYS 60 2HE LYS 60 -10.673 -8.428 11.010 498 1HZ LYS 60 1HZ LYS 60 -12.909 -7.954 10.452 499 2HZ LYS 60 2HZ LYS 60 -12.680 -8.356 8.829 500 3HZ LYS 60 3HZ LYS 60 -11.964 -6.959 9.458 501 H ASP 61 H ASP 61 -5.122 -8.009 11.159 502 HA ASP 61 HA ASP 61 -5.025 -8.416 14.029 503 1HB ASP 61 1HB ASP 61 -3.471 -9.609 12.497 504 2HB ASP 61 2HB ASP 61 -2.765 -8.066 12.034 505 H ARG 62 H ARG 62 -5.091 -5.772 11.909 506 HA ARG 62 HA ARG 62 -4.783 -3.532 12.119 507 1HB ARG 62 1HB ARG 62 -4.892 -4.218 15.069 508 2HB ARG 62 2HB ARG 62 -4.885 -2.571 14.444 509 1HG ARG 62 1HG ARG 62 -6.979 -2.979 13.276 510 2HG ARG 62 2HG ARG 62 -6.981 -4.655 13.829 511 1HD ARG 62 1HD ARG 62 -7.178 -3.935 16.130 512 2HD ARG 62 2HD ARG 62 -7.038 -2.243 15.648 513 HE ARG 62 HE ARG 62 -9.177 -2.951 14.262 514 1HH1 ARG 62 1HH1 ARG 62 -8.356 -3.742 17.574 515 2HH1 ARG 62 2HH1 ARG 62 -10.006 -3.743 18.114 516 1HH2 ARG 62 1HH2 ARG 62 -11.344 -2.976 14.960 517 2HH2 ARG 62 2HH2 ARG 62 -11.706 -3.305 16.625 518 H ARG 63 H ARG 63 -2.596 -5.149 11.677 519 HA ARG 63 HA ARG 63 -0.415 -4.586 13.464 520 1HB ARG 63 1HB ARG 63 -0.935 -6.701 12.069 521 2HB ARG 63 2HB ARG 63 -0.243 -5.819 10.722 522 1HG ARG 63 1HG ARG 63 1.894 -5.701 11.840 523 2HG ARG 63 2HG ARG 63 1.205 -6.454 13.287 524 1HD ARG 63 1HD ARG 63 0.570 -8.412 11.817 525 2HD ARG 63 2HD ARG 63 1.555 -7.678 10.553 526 HE ARG 63 HE ARG 63 3.489 -8.032 11.924 527 1HH1 ARG 63 1HH1 ARG 63 0.558 -9.542 13.115 528 2HH1 ARG 63 2HH1 ARG 63 1.400 -10.813 13.950 529 1HH2 ARG 63 1HH2 ARG 63 4.599 -9.681 13.052 530 2HH2 ARG 63 2HH2 ARG 63 3.698 -10.883 13.923 531 H TRP 64 H TRP 64 -1.895 -2.697 11.256 532 HA TRP 64 HA TRP 64 0.189 -1.594 9.707 533 1HB TRP 64 1HB TRP 64 -2.346 -0.233 10.681 534 2HB TRP 64 2HB TRP 64 -1.317 0.324 9.366 535 HD1 TRP 64 HD1 TRP 64 -4.405 -1.533 9.909 536 HE1 TRP 64 HE1 TRP 64 -5.070 -2.885 7.821 537 HE3 TRP 64 HE3 TRP 64 0.012 -1.316 7.329 538 HZ2 TRP 64 HZ2 TRP 64 -3.891 -3.741 5.424 539 HZ3 TRP 64 HZ3 TRP 64 0.155 -2.426 5.145 540 HH2 TRP 64 HH2 TRP 64 -1.760 -3.618 4.211 541 H ALA 65 H ALA 65 -0.515 -1.325 13.054 542 HA ALA 65 HA ALA 65 0.639 1.170 13.642 543 1HB ALA 65 1HB ALA 65 0.994 0.282 15.900 544 2HB ALA 65 2HB ALA 65 0.663 -1.349 15.316 545 3HB ALA 65 3HB ALA 65 -0.613 -0.132 15.299 546 H ARG 66 H ARG 66 2.042 -2.076 13.362 547 HA ARG 66 HA ARG 66 4.710 -1.387 13.894 548 1HB ARG 66 1HB ARG 66 3.936 -3.725 13.842 549 2HB ARG 66 2HB ARG 66 3.659 -3.601 12.108 550 1HG ARG 66 1HG ARG 66 6.091 -3.133 11.813 551 2HG ARG 66 2HG ARG 66 6.312 -3.435 13.535 552 1HD ARG 66 1HD ARG 66 5.421 -5.724 13.207 553 2HD ARG 66 2HD ARG 66 5.316 -5.402 11.473 554 HE ARG 66 HE ARG 66 7.923 -4.974 12.658 555 1HH1 ARG 66 1HH1 ARG 66 5.836 -7.231 10.970 556 2HH1 ARG 66 2HH1 ARG 66 7.155 -8.227 10.444 557 1HH2 ARG 66 1HH2 ARG 66 9.639 -6.276 11.947 558 2HH2 ARG 66 2HH2 ARG 66 9.308 -7.685 10.986 559 H VAL 67 H VAL 67 2.883 -1.481 10.846 560 HA VAL 67 HA VAL 67 5.119 -0.995 9.179 561 HB VAL 67 HB VAL 67 3.671 -0.796 7.374 562 1HG1 VAL 67 1HG1 VAL 67 3.469 -2.984 8.413 563 2HG1 VAL 67 2HG1 VAL 67 1.964 -2.515 7.626 564 3HG1 VAL 67 3HG1 VAL 67 2.108 -2.413 9.381 565 1HG2 VAL 67 1HG2 VAL 67 1.415 0.056 9.182 566 2HG2 VAL 67 2HG2 VAL 67 1.368 -0.067 7.425 567 3HG2 VAL 67 3HG2 VAL 67 2.392 1.139 8.195 568 H ALA 68 H ALA 68 2.852 1.131 10.834 569 HA ALA 68 HA ALA 68 3.698 3.564 9.688 570 1HB ALA 68 1HB ALA 68 2.685 4.636 11.648 571 2HB ALA 68 2HB ALA 68 2.576 3.070 12.455 572 3HB ALA 68 3HB ALA 68 1.634 3.379 10.995 573 H GLN 69 H GLN 69 4.700 1.888 12.670 574 HA GLN 69 HA GLN 69 6.792 3.660 13.352 575 1HB GLN 69 1HB GLN 69 6.427 0.718 13.974 576 2HB GLN 69 2HB GLN 69 7.655 1.738 14.712 577 1HG GLN 69 1HG GLN 69 5.932 3.133 15.710 578 2HG GLN 69 2HG GLN 69 4.678 2.179 14.919 579 1HE2 GLN 69 2HE2 GLN 69 3.746 1.665 16.916 580 2HE2 GLN 69 1HE2 GLN 69 4.465 0.513 17.987 581 H ARG 70 H ARG 70 6.564 1.062 11.074 582 HA ARG 70 HA ARG 70 9.338 0.593 10.665 583 1HB ARG 70 1HB ARG 70 7.273 -0.861 10.038 584 2HB ARG 70 2HB ARG 70 7.186 0.131 8.594 585 1HG ARG 70 1HG ARG 70 9.640 -1.436 9.374 586 2HG ARG 70 2HG ARG 70 8.355 -2.088 8.359 587 1HD ARG 70 1HD ARG 70 8.745 -0.117 6.818 588 2HD ARG 70 2HD ARG 70 10.194 0.226 7.768 589 HE ARG 70 HE ARG 70 9.988 -2.479 6.737 590 1HH1 ARG 70 1HH1 ARG 70 11.237 0.750 6.206 591 2HH1 ARG 70 2HH1 ARG 70 12.441 0.231 5.070 592 1HH2 ARG 70 1HH2 ARG 70 11.569 -3.157 5.232 593 2HH2 ARG 70 2HH2 ARG 70 12.650 -1.984 4.542 594 H LEU 71 H LEU 71 6.930 2.694 9.139 595 HA LEU 71 HA LEU 71 8.863 3.828 7.295 596 1HB LEU 71 1HB LEU 71 5.943 4.261 7.816 597 2HB LEU 71 2HB LEU 71 6.844 5.475 6.928 598 HG LEU 71 HG LEU 71 7.466 3.770 5.244 599 1HD1 LEU 71 1HD1 LEU 71 5.619 1.952 6.788 600 2HD1 LEU 71 2HD1 LEU 71 7.368 1.777 6.640 601 3HD1 LEU 71 3HD1 LEU 71 6.342 1.604 5.217 602 1HD2 LEU 71 1HD2 LEU 71 5.269 3.588 4.191 603 2HD2 LEU 71 2HD2 LEU 71 5.507 5.190 4.889 604 3HD2 LEU 71 3HD2 LEU 71 4.491 4.009 5.719 605 H ASN 72 H ASN 72 8.700 4.128 10.446 606 HA ASN 72 HA ASN 72 9.723 5.539 11.890 607 1HB ASN 72 1HB ASN 72 10.358 7.146 9.404 608 2HB ASN 72 2HB ASN 72 10.954 7.547 11.011 609 1HD2 ASN 72 2HD2 ASN 72 11.181 5.368 8.329 610 2HD2 ASN 72 1HD2 ASN 72 12.628 4.569 8.835 611 H TYR 73 H TYR 73 6.857 5.862 10.926 612 HA TYR 73 HA TYR 73 6.236 8.625 11.363 613 1HB TYR 73 1HB TYR 73 4.481 6.154 11.502 614 2HB TYR 73 2HB TYR 73 3.880 7.799 11.646 615 HD1 TYR 73 HD1 TYR 73 5.405 9.182 9.511 616 HD2 TYR 73 HD2 TYR 73 3.542 5.353 9.525 617 HE1 TYR 73 HE1 TYR 73 5.123 9.313 7.071 618 HE2 TYR 73 HE2 TYR 73 3.261 5.469 7.091 619 HH TYR 73 HH TYR 73 4.826 7.788 5.155 620 HA PRO 74 HA PRO 74 6.461 8.717 15.799 621 1HB PRO 74 1HB PRO 74 4.583 10.618 16.359 622 2HB PRO 74 2HB PRO 74 6.168 11.001 15.673 623 1HG PRO 74 1HG PRO 74 3.528 10.691 14.279 624 2HG PRO 74 2HG PRO 74 4.765 11.946 14.064 625 1HD PRO 74 1HD PRO 74 4.538 9.872 12.360 626 2HD PRO 74 2HD PRO 74 6.117 10.572 12.774 627 HA PRO 75 HA PRO 75 3.368 6.048 17.545 628 1HB PRO 75 1HB PRO 75 3.384 7.819 19.946 629 2HB PRO 75 2HB PRO 75 3.678 6.080 19.830 630 1HG PRO 75 1HG PRO 75 5.698 7.769 20.232 631 2HG PRO 75 2HG PRO 75 5.891 6.367 19.159 632 1HD PRO 75 1HD PRO 75 5.456 9.250 18.455 633 2HD PRO 75 2HD PRO 75 6.520 8.052 17.688 634 H GLY 76 H GLY 76 1.187 6.135 18.681 635 1HA GLY 76 1HA GLY 76 -0.794 7.596 19.056 636 2HA GLY 76 2HA GLY 76 -0.363 8.392 17.546 637 H LYS 77 H LYS 77 0.375 6.013 16.128 638 HA LYS 77 HA LYS 77 -0.325 4.088 15.152 639 1HB LYS 77 1HB LYS 77 -0.820 3.287 17.389 640 2HB LYS 77 2HB LYS 77 -2.375 4.095 17.376 641 1HG LYS 77 1HG LYS 77 -1.829 2.024 15.297 642 2HG LYS 77 2HG LYS 77 -2.149 1.506 16.951 643 1HD LYS 77 1HD LYS 77 -4.242 2.965 16.840 644 2HD LYS 77 2HD LYS 77 -3.955 3.062 15.102 645 1HE LYS 77 1HE LYS 77 -5.548 1.298 15.580 646 2HE LYS 77 2HE LYS 77 -4.047 0.598 14.974 647 1HZ LYS 77 1HZ LYS 77 -4.747 0.798 17.856 648 2HZ LYS 77 2HZ LYS 77 -3.428 -0.024 17.184 649 3HZ LYS 77 3HZ LYS 77 -4.998 -0.582 16.911 650 H ASN 78 H ASN 78 -2.572 6.687 15.613 651 HA ASN 78 HA ASN 78 -4.770 5.815 14.149 652 1HB ASN 78 1HB ASN 78 -4.763 7.838 15.561 653 2HB ASN 78 2HB ASN 78 -3.711 8.642 14.401 654 1HD2 ASN 78 2HD2 ASN 78 -5.161 10.276 13.973 655 2HD2 ASN 78 1HD2 ASN 78 -6.630 10.026 13.095 656 H ILE 79 H ILE 79 -1.662 6.855 13.032 657 HA ILE 79 HA ILE 79 -2.304 7.742 10.447 658 HB ILE 79 HB ILE 79 0.242 6.351 11.350 659 1HG1 ILE 79 1HG1 ILE 79 1.124 8.770 11.295 660 2HG1 ILE 79 2HG1 ILE 79 -0.561 9.270 11.253 661 1HG2 ILE 79 1HG2 ILE 79 -0.262 8.025 8.880 662 2HG2 ILE 79 2HG2 ILE 79 -0.008 6.280 8.917 663 3HG2 ILE 79 3HG2 ILE 79 1.297 7.368 9.384 664 1HD1 ILE 79 1HD1 ILE 79 0.352 9.388 13.495 665 2HD1 ILE 79 2HD1 ILE 79 0.755 7.673 13.440 666 3HD1 ILE 79 3HD1 ILE 79 -0.932 8.182 13.407 667 H GLY 80 H GLY 80 -2.041 4.553 11.822 668 1HA GLY 80 1HA GLY 80 -1.853 3.013 9.472 669 2HA GLY 80 2HA GLY 80 -2.529 2.471 11.002 670 H SER 81 H SER 81 -4.627 4.434 11.127 671 HA SER 81 HA SER 81 -6.637 3.128 9.604 672 1HB SER 81 1HB SER 81 -6.782 5.809 11.025 673 2HB SER 81 2HB SER 81 -8.150 4.803 10.543 674 HG SER 81 HG SER 81 -7.328 4.677 12.819 675 H LEU 82 H LEU 82 -4.951 6.209 9.304 676 HA LEU 82 HA LEU 82 -6.244 7.265 7.066 677 1HB LEU 82 1HB LEU 82 -4.579 8.409 8.566 678 2HB LEU 82 2HB LEU 82 -3.306 7.492 7.792 679 HG LEU 82 HG LEU 82 -3.593 9.908 7.065 680 1HD1 LEU 82 1HD1 LEU 82 -3.702 7.786 4.923 681 2HD1 LEU 82 2HD1 LEU 82 -2.258 8.356 5.761 682 3HD1 LEU 82 3HD1 LEU 82 -3.152 9.448 4.703 683 1HD2 LEU 82 1HD2 LEU 82 -5.999 8.785 5.631 684 2HD2 LEU 82 2HD2 LEU 82 -5.319 10.398 5.418 685 3HD2 LEU 82 3HD2 LEU 82 -6.032 9.940 6.964 686 H LEU 83 H LEU 83 -3.359 5.232 7.296 687 HA LEU 83 HA LEU 83 -2.825 4.851 4.594 688 1HB LEU 83 1HB LEU 83 -1.240 4.189 6.271 689 2HB LEU 83 2HB LEU 83 -2.377 3.066 6.988 690 HG LEU 83 HG LEU 83 -2.235 1.642 4.968 691 1HD1 LEU 83 1HD1 LEU 83 -1.694 3.346 3.316 692 2HD1 LEU 83 2HD1 LEU 83 -0.486 2.061 3.305 693 3HD1 LEU 83 3HD1 LEU 83 -0.123 3.605 4.075 694 1HD2 LEU 83 1HD2 LEU 83 -0.789 1.204 6.887 695 2HD2 LEU 83 2HD2 LEU 83 0.437 2.284 6.222 696 3HD2 LEU 83 3HD2 LEU 83 0.017 0.796 5.374 697 H ARG 84 H ARG 84 -4.732 2.775 6.783 698 HA ARG 84 HA ARG 84 -5.446 0.840 4.906 699 1HB ARG 84 1HB ARG 84 -5.750 0.543 7.334 700 2HB ARG 84 2HB ARG 84 -7.032 1.750 7.322 701 1HG ARG 84 1HG ARG 84 -8.264 0.260 5.694 702 2HG ARG 84 2HG ARG 84 -7.053 -0.975 6.034 703 1HD ARG 84 1HD ARG 84 -7.665 -0.945 8.396 704 2HD ARG 84 2HD ARG 84 -8.840 0.335 8.090 705 HE ARG 84 HE ARG 84 -9.225 -2.457 7.713 706 1HH1 ARG 84 1HH1 ARG 84 -10.095 0.654 6.319 707 2HH1 ARG 84 2HH1 ARG 84 -11.548 0.049 5.582 708 1HH2 ARG 84 1HH2 ARG 84 -11.152 -3.210 6.819 709 2HH2 ARG 84 2HH2 ARG 84 -12.173 -2.143 5.906 710 H SER 85 H SER 85 -7.040 3.883 5.768 711 HA SER 85 HA SER 85 -9.404 3.465 4.306 712 1HB SER 85 1HB SER 85 -9.138 5.230 6.042 713 2HB SER 85 2HB SER 85 -8.087 6.122 4.945 714 HG SER 85 HG SER 85 -10.405 5.452 3.718 715 H HIS 86 H HIS 86 -6.344 5.074 3.402 716 HA HIS 86 HA HIS 86 -7.297 5.676 0.757 717 1HB HIS 86 1HB HIS 86 -4.544 5.798 1.994 718 2HB HIS 86 2HB HIS 86 -4.832 6.175 0.297 719 HD1 HIS 86 HD1 HIS 86 -6.333 8.306 -0.197 720 HD2 HIS 86 HD2 HIS 86 -5.223 7.792 3.777 721 HE1 HIS 86 HE1 HIS 86 -6.783 10.511 0.923 722 HE2 HIS 86 HE2 HIS 86 -6.064 10.198 3.316 723 H TYR 87 H TYR 87 -5.603 2.979 2.205 724 HA TYR 87 HA TYR 87 -4.800 1.710 -0.203 725 1HB TYR 87 1HB TYR 87 -4.044 1.114 2.166 726 2HB TYR 87 2HB TYR 87 -5.589 0.302 2.367 727 HD1 TYR 87 HD2 TYR 87 -6.099 -1.375 0.210 728 HD2 TYR 87 HD1 TYR 87 -2.261 -0.272 1.707 729 HE1 TYR 87 HE2 TYR 87 -5.130 -3.404 -0.777 730 HE2 TYR 87 HE1 TYR 87 -1.289 -2.302 0.717 731 HH TYR 87 HH TYR 87 -2.246 -4.678 0.031 732 H GLU 88 H GLU 88 -7.634 1.451 1.856 733 HA GLU 88 HA GLU 88 -9.056 -0.579 0.670 734 1HB GLU 88 1HB GLU 88 -9.604 0.567 2.811 735 2HB GLU 88 2HB GLU 88 -10.164 1.960 1.902 736 1HG GLU 88 1HG GLU 88 -11.868 0.449 0.831 737 2HG GLU 88 2HG GLU 88 -11.384 -0.789 1.990 738 H ARG 89 H ARG 89 -8.495 2.617 -0.534 739 HA ARG 89 HA ARG 89 -10.624 2.322 -2.551 740 1HB ARG 89 1HB ARG 89 -9.107 4.814 -1.742 741 2HB ARG 89 2HB ARG 89 -10.455 4.742 -2.867 742 1HG ARG 89 1HG ARG 89 -10.637 4.014 0.057 743 2HG ARG 89 2HG ARG 89 -11.053 5.593 -0.609 744 1HD ARG 89 1HD ARG 89 -13.085 4.379 -0.348 745 2HD ARG 89 2HD ARG 89 -12.733 4.436 -2.073 746 HE ARG 89 HE ARG 89 -11.663 2.062 -1.156 747 1HH1 ARG 89 1HH1 ARG 89 -14.838 3.517 -1.244 748 2HH1 ARG 89 2HH1 ARG 89 -15.667 1.998 -1.358 749 1HH2 ARG 89 1HH2 ARG 89 -12.731 0.065 -1.332 750 2HH2 ARG 89 2HH2 ARG 89 -14.465 0.022 -1.432 751 H ILE 90 H ILE 90 -7.287 3.566 -2.278 752 HA ILE 90 HA ILE 90 -7.022 3.643 -5.157 753 HB ILE 90 HB ILE 90 -5.014 4.313 -2.991 754 1HG1 ILE 90 1HG1 ILE 90 -6.994 5.766 -2.916 755 2HG1 ILE 90 2HG1 ILE 90 -5.580 6.660 -3.459 756 1HG2 ILE 90 1HG2 ILE 90 -3.890 3.783 -5.085 757 2HG2 ILE 90 2HG2 ILE 90 -3.783 5.512 -4.752 758 3HG2 ILE 90 3HG2 ILE 90 -4.929 4.913 -5.953 759 1HD1 ILE 90 1HD1 ILE 90 -6.361 6.493 -5.766 760 2HD1 ILE 90 2HD1 ILE 90 -7.552 7.274 -4.726 761 3HD1 ILE 90 3HD1 ILE 90 -7.778 5.596 -5.221 762 H VAL 91 H VAL 91 -5.635 1.756 -2.484 763 HA VAL 91 HA VAL 91 -3.744 0.529 -4.364 764 HB VAL 91 HB VAL 91 -3.730 0.289 -1.351 765 1HG1 VAL 91 1HG1 VAL 91 -1.341 -0.248 -1.688 766 2HG1 VAL 91 2HG1 VAL 91 -1.595 -0.189 -3.434 767 3HG1 VAL 91 3HG1 VAL 91 -2.416 -1.412 -2.464 768 1HG2 VAL 91 1HG2 VAL 91 -2.309 2.322 -3.078 769 2HG2 VAL 91 2HG2 VAL 91 -2.034 2.079 -1.354 770 3HG2 VAL 91 3HG2 VAL 91 -3.603 2.647 -1.924 771 H TYR 92 H TYR 92 -6.665 -0.246 -2.763 772 HA TYR 92 HA TYR 92 -6.244 -2.919 -2.086 773 1HB TYR 92 1HB TYR 92 -8.323 -1.294 -1.698 774 2HB TYR 92 2HB TYR 92 -8.951 -2.158 -3.097 775 HD1 TYR 92 HD2 TYR 92 -7.049 -4.630 -1.830 776 HD2 TYR 92 HD1 TYR 92 -10.459 -2.360 -0.666 777 HE1 TYR 92 HE2 TYR 92 -7.757 -6.453 -0.347 778 HE2 TYR 92 HE1 TYR 92 -11.170 -4.182 0.819 779 HH TYR 92 HH TYR 92 -9.132 -6.941 1.448 780 HA PRO 93 HA PRO 93 -7.697 -4.039 -6.670 781 1HB PRO 93 1HB PRO 93 -6.705 -2.153 -8.459 782 2HB PRO 93 2HB PRO 93 -8.396 -2.290 -7.964 783 1HG PRO 93 1HG PRO 93 -6.262 -0.455 -6.938 784 2HG PRO 93 2HG PRO 93 -7.971 -0.112 -7.278 785 1HD PRO 93 1HD PRO 93 -7.118 -0.479 -4.771 786 2HD PRO 93 2HD PRO 93 -8.692 -1.114 -5.295 787 H TYR 94 H TYR 94 -4.805 -2.251 -5.728 788 HA TYR 94 HA TYR 94 -3.029 -3.653 -7.470 789 1HB TYR 94 1HB TYR 94 -2.662 -1.770 -5.172 790 2HB TYR 94 2HB TYR 94 -1.287 -2.735 -5.705 791 HD1 TYR 94 HD1 TYR 94 -0.385 -2.469 -7.976 792 HD2 TYR 94 HD2 TYR 94 -3.500 0.048 -6.528 793 HE1 TYR 94 HE1 TYR 94 0.043 -0.894 -9.810 794 HE2 TYR 94 HE2 TYR 94 -3.069 1.632 -8.342 795 HH TYR 94 HH TYR 94 -1.271 2.242 -9.882 796 H GLU 95 H GLU 95 -4.080 -4.114 -4.125 797 HA GLU 95 HA GLU 95 -2.436 -6.264 -3.447 798 1HB GLU 95 1HB GLU 95 -3.931 -5.301 -1.797 799 2HB GLU 95 2HB GLU 95 -5.340 -5.729 -2.756 800 1HG GLU 95 1HG GLU 95 -5.063 -7.210 -0.829 801 2HG GLU 95 2HG GLU 95 -4.951 -8.085 -2.352 802 H MET 96 H MET 96 -5.671 -6.329 -4.903 803 HA MET 96 HA MET 96 -5.839 -9.043 -5.474 804 1HB MET 96 1HB MET 96 -7.010 -6.751 -7.071 805 2HB MET 96 2HB MET 96 -7.554 -8.422 -7.125 806 1HG MET 96 1HG MET 96 -8.254 -8.285 -4.796 807 2HG MET 96 2HG MET 96 -7.662 -6.626 -4.706 808 1HE MET 96 1HE MET 96 -10.331 -9.040 -6.288 809 2HE MET 96 2HE MET 96 -9.551 -8.355 -7.714 810 3HE MET 96 3HE MET 96 -11.224 -7.941 -7.341 811 H TYR 97 H TYR 97 -4.325 -6.439 -7.287 812 HA TYR 97 HA TYR 97 -3.863 -7.910 -9.672 813 1HB TYR 97 1HB TYR 97 -3.877 -5.485 -9.711 814 2HB TYR 97 2HB TYR 97 -2.538 -5.419 -8.574 815 HD1 TYR 97 HD2 TYR 97 -3.057 -7.380 -11.732 816 HD2 TYR 97 HD1 TYR 97 -0.699 -4.505 -9.653 817 HE1 TYR 97 HE2 TYR 97 -1.474 -7.326 -13.611 818 HE2 TYR 97 HE1 TYR 97 0.887 -4.441 -11.530 819 HH TYR 97 HH TYR 97 1.593 -5.898 -13.400 820 H GLN 98 H GLN 98 -1.687 -7.021 -6.982 821 HA GLN 98 HA GLN 98 0.567 -8.354 -8.039 822 1HB GLN 98 1HB GLN 98 -0.040 -7.528 -5.190 823 2HB GLN 98 2HB GLN 98 1.530 -8.080 -5.758 824 1HG GLN 98 1HG GLN 98 0.074 -5.607 -6.686 825 2HG GLN 98 2HG GLN 98 1.457 -5.655 -5.595 826 1HE2 GLN 98 2HE2 GLN 98 1.162 -4.314 -8.166 827 2HE2 GLN 98 1HE2 GLN 98 2.430 -4.919 -9.174 828 H SER 99 H SER 99 -1.598 -9.292 -5.330 829 HA SER 99 HA SER 99 -0.497 -11.871 -5.039 830 1HB SER 99 1HB SER 99 -2.656 -12.402 -3.850 831 2HB SER 99 2HB SER 99 -1.837 -10.959 -3.251 832 HG SER 99 HG SER 99 -3.498 -9.828 -3.794 833 H GLY 100 H GLY 100 -3.223 -10.650 -6.960 834 1HA GLY 100 1HA GLY 100 -4.075 -13.112 -8.016 835 2HA GLY 100 2HA GLY 100 -4.306 -11.544 -8.773 836 H ALA 101 H ALA 101 -1.346 -11.104 -8.841 837 HA ALA 101 HA ALA 101 -0.864 -12.435 -11.363 838 1HB ALA 101 1HB ALA 101 -0.307 -10.066 -11.085 839 2HB ALA 101 2HB ALA 101 1.117 -11.018 -11.509 840 3HB ALA 101 3HB ALA 101 0.872 -10.489 -9.844 841 H ASN 102 H ASN 102 0.368 -12.606 -8.063 842 HA ASN 102 HA ASN 102 2.368 -14.595 -8.887 843 1HB ASN 102 1HB ASN 102 1.934 -13.226 -6.217 844 2HB ASN 102 2HB ASN 102 3.201 -14.404 -6.544 845 1HD2 ASN 102 2HD2 ASN 102 4.904 -13.052 -6.194 846 2HD2 ASN 102 1HD2 ASN 102 5.272 -11.697 -7.200 847 H LEU 103 H LEU 103 0.023 -14.289 -6.213 848 HA LEU 103 HA LEU 103 -1.312 -16.697 -6.729 849 1HB LEU 103 1HB LEU 103 -0.545 -18.161 -4.990 850 2HB LEU 103 2HB LEU 103 0.832 -17.720 -5.974 851 HG LEU 103 HG LEU 103 0.210 -16.514 -3.264 852 1HD1 LEU 103 1HD1 LEU 103 2.218 -18.644 -4.001 853 2HD1 LEU 103 2HD1 LEU 103 0.740 -18.889 -3.070 854 3HD1 LEU 103 3HD1 LEU 103 2.037 -17.889 -2.417 855 1HD2 LEU 103 1HD2 LEU 103 1.522 -15.021 -4.678 856 2HD2 LEU 103 2HD2 LEU 103 2.676 -16.315 -5.003 857 3HD2 LEU 103 3HD2 LEU 103 2.510 -15.668 -3.370 858 H VAL 104 H VAL 104 -3.262 -16.309 -5.936 859 HA VAL 104 HA VAL 104 -3.528 -14.303 -3.822 860 HB VAL 104 HB VAL 104 -4.716 -13.789 -5.884 861 1HG1 VAL 104 1HG1 VAL 104 -5.072 -16.051 -6.729 862 2HG1 VAL 104 2HG1 VAL 104 -6.584 -15.145 -6.694 863 3HG1 VAL 104 3HG1 VAL 104 -6.252 -16.355 -5.454 864 1HG2 VAL 104 1HG2 VAL 104 -6.955 -13.391 -4.961 865 2HG2 VAL 104 2HG2 VAL 104 -5.692 -13.020 -3.786 866 3HG2 VAL 104 3HG2 VAL 104 -6.613 -14.519 -3.648 867 H CYS 105 H CYS 105 -3.773 -15.027 -1.852 868 HA CYS 105 HA CYS 105 -5.267 -17.533 -1.380 869 1HB CYS 105 1HB CYS 105 -2.862 -17.746 -0.861 870 2HB CYS 105 2HB CYS 105 -2.974 -16.374 0.233 871 HG CYS 105 HG CYS 105 -2.969 -19.263 1.231 872 H ASN 106 H ASN 106 -5.248 -14.219 -0.975 873 HA ASN 106 HA ASN 106 -6.602 -14.176 1.609 874 1HB ASN 106 1HB ASN 106 -6.460 -11.703 1.354 875 2HB ASN 106 2HB ASN 106 -4.891 -12.496 1.259 876 1HD2 ASN 106 2HD2 ASN 106 -5.791 -9.891 0.223 877 2HD2 ASN 106 1HD2 ASN 106 -5.427 -9.927 -1.467 878 H THR 107 H THR 107 -7.759 -15.109 -1.132 879 HA THR 107 HA THR 107 -9.670 -13.292 -2.035 880 HB THR 107 HB THR 107 -9.882 -16.313 -2.083 881 HG1 THR 107 HG1 THR 107 -8.840 -14.619 -4.119 882 1HG2 THR 107 1HG2 THR 107 -11.144 -14.215 -3.861 883 2HG2 THR 107 2HG2 THR 107 -11.988 -15.213 -2.677 884 3HG2 THR 107 3HG2 THR 107 -11.252 -15.961 -4.094 885 H ARG 108 H ARG 108 -9.924 -15.756 0.519 886 HA ARG 108 HA ARG 108 -12.723 -15.171 0.942 887 1HB ARG 108 1HB ARG 108 -10.837 -16.959 2.498 888 2HB ARG 108 2HB ARG 108 -12.564 -16.819 2.805 889 1HG ARG 108 1HG ARG 108 -13.024 -17.652 0.538 890 2HG ARG 108 2HG ARG 108 -11.290 -17.821 0.259 891 1HD ARG 108 1HD ARG 108 -12.888 -19.262 2.383 892 2HD ARG 108 2HD ARG 108 -12.340 -19.961 0.860 893 HE ARG 108 HE ARG 108 -10.293 -18.880 2.639 894 1HH1 ARG 108 1HH1 ARG 108 -11.950 -21.703 1.385 895 2HH1 ARG 108 2HH1 ARG 108 -10.741 -22.813 1.945 896 1HH2 ARG 108 1HH2 ARG 108 -8.710 -20.346 3.385 897 2HH2 ARG 108 2HH2 ARG 108 -8.912 -22.047 3.101 898 HA PRO 109 HA PRO 109 -10.762 -13.224 5.105 899 1HB PRO 109 1HB PRO 109 -8.302 -12.297 3.657 900 2HB PRO 109 2HB PRO 109 -8.518 -12.689 5.369 901 1HG PRO 109 1HG PRO 109 -7.312 -14.415 3.751 902 2HG PRO 109 2HG PRO 109 -8.448 -14.987 4.989 903 1HD PRO 109 1HD PRO 109 -8.828 -14.740 2.037 904 2HD PRO 109 2HD PRO 109 -9.478 -15.949 3.161 905 H PHE 110 H PHE 110 -10.305 -12.194 1.781 906 HA PHE 110 HA PHE 110 -10.587 -9.460 1.909 907 1HB PHE 110 1HB PHE 110 -10.316 -11.109 -0.118 908 2HB PHE 110 2HB PHE 110 -12.072 -11.056 -0.175 909 HD1 PHE 110 HD1 PHE 110 -12.867 -8.358 0.144 910 HD2 PHE 110 HD2 PHE 110 -9.349 -9.850 -1.741 911 HE1 PHE 110 HE1 PHE 110 -12.741 -6.317 -1.238 912 HE2 PHE 110 HE2 PHE 110 -9.228 -7.821 -3.122 913 HZ PHE 110 HZ PHE 110 -10.924 -6.055 -2.875 914 H ASP 111 H ASP 111 -13.185 -11.899 1.704 915 HA ASP 111 HA ASP 111 -15.355 -10.103 1.932 916 1HB ASP 111 1HB ASP 111 -15.188 -13.036 2.695 917 2HB ASP 111 2HB ASP 111 -16.682 -12.113 2.606 918 H ASN 112 H ASN 112 -13.330 -11.710 4.279 919 HA ASN 112 HA ASN 112 -15.015 -11.286 6.533 920 1HB ASN 112 1HB ASN 112 -13.337 -13.078 6.473 921 2HB ASN 112 2HB ASN 112 -12.047 -11.884 6.402 922 1HD2 ASN 112 2HD2 ASN 112 -14.493 -13.346 8.409 923 2HD2 ASN 112 1HD2 ASN 112 -13.861 -12.793 9.921 924 H GLU 113 H GLU 113 -12.619 -9.331 4.916 925 HA GLU 113 HA GLU 113 -12.679 -7.384 7.105 926 1HB GLU 113 1HB GLU 113 -10.485 -7.825 6.170 927 2HB GLU 113 2HB GLU 113 -11.055 -7.421 4.557 928 1HG GLU 113 1HG GLU 113 -9.773 -5.588 5.413 929 2HG GLU 113 2HG GLU 113 -11.459 -5.101 5.305 930 H GLU 114 H GLU 114 -13.364 -7.475 3.612 931 HA GLU 114 HA GLU 114 -14.411 -4.890 3.373 932 1HB GLU 114 1HB GLU 114 -13.864 -6.316 1.429 933 2HB GLU 114 2HB GLU 114 -15.212 -7.375 1.826 934 1HG GLU 114 1HG GLU 114 -16.761 -5.474 1.476 935 2HG GLU 114 2HG GLU 114 -15.390 -4.483 0.986 936 H LYS 115 H LYS 115 -15.942 -7.943 4.202 937 HA LYS 115 HA LYS 115 -18.334 -6.484 5.126 938 1HB LYS 115 1HB LYS 115 -18.130 -9.372 4.212 939 2HB LYS 115 2HB LYS 115 -19.597 -8.562 4.751 940 1HG LYS 115 1HG LYS 115 -19.613 -7.137 2.837 941 2HG LYS 115 2HG LYS 115 -17.997 -7.660 2.360 942 1HD LYS 115 1HD LYS 115 -19.665 -8.723 0.955 943 2HD LYS 115 2HD LYS 115 -18.866 -9.931 1.960 944 1HE LYS 115 1HE LYS 115 -20.772 -9.921 3.496 945 2HE LYS 115 2HE LYS 115 -21.568 -8.695 2.510 946 1HZ LYS 115 1HZ LYS 115 -22.429 -10.862 1.992 947 2HZ LYS 115 2HZ LYS 115 -20.881 -11.455 1.662 948 3HZ LYS 115 3HZ LYS 115 -21.566 -10.278 0.661 949 H ASP 116 H ASP 116 -17.212 -6.092 7.106 950 HA ASP 116 HA ASP 116 -16.241 -8.269 8.720 951 1HB ASP 116 1HB ASP 116 -15.183 -6.014 8.766 952 2HB ASP 116 2HB ASP 116 -16.658 -5.351 9.459 953 H LYS 117 H LYS 117 -18.371 -9.296 8.428 954 HA LYS 117 HA LYS 117 -19.954 -9.055 10.802 955 1HB LYS 117 1HB LYS 117 -22.120 -8.746 9.497 956 2HB LYS 117 2HB LYS 117 -21.104 -7.322 9.666 957 1HG LYS 117 1HG LYS 117 -20.229 -7.723 7.377 958 2HG LYS 117 2HG LYS 117 -21.353 -9.074 7.219 959 1HD LYS 117 1HD LYS 117 -22.253 -7.069 6.153 960 2HD LYS 117 2HD LYS 117 -23.244 -7.538 7.537 961 1HE LYS 117 1HE LYS 117 -22.887 -5.112 7.452 962 2HE LYS 117 2HE LYS 117 -22.186 -5.824 8.903 963 1HZ LYS 117 1HZ LYS 117 -20.740 -4.169 7.826 964 2HZ LYS 117 2HZ LYS 117 -20.647 -5.149 6.453 965 3HZ LYS 117 3HZ LYS 117 -20.016 -5.692 7.923 Start of MODEL 14 1 1H SER 1 1H SER 1 6.012 14.887 0.895 2 2H SER 1 2H SER 1 6.532 16.491 0.991 3 3H SER 1 3H SER 1 7.630 15.266 0.612 4 HA SER 1 HA SER 1 5.317 16.022 -1.053 5 1HB SER 1 1HB SER 1 8.259 16.672 -1.397 6 2HB SER 1 2HB SER 1 6.984 17.051 -2.558 7 HG SER 1 HG SER 1 6.089 18.471 -1.112 8 H MET 2 H MET 2 5.742 15.243 -3.347 9 HA MET 2 HA MET 2 6.045 12.408 -3.332 10 1HB MET 2 1HB MET 2 4.631 14.021 -4.872 11 2HB MET 2 2HB MET 2 6.087 14.056 -5.851 12 1HG MET 2 1HG MET 2 4.586 11.558 -5.087 13 2HG MET 2 2HG MET 2 4.405 12.418 -6.613 14 1HE MET 2 1HE MET 2 6.286 9.268 -7.832 15 2HE MET 2 2HE MET 2 4.918 10.351 -8.083 16 3HE MET 2 3HE MET 2 5.001 9.359 -6.627 17 H ASN 3 H ASN 3 8.174 15.025 -3.695 18 HA ASN 3 HA ASN 3 10.151 14.180 -5.411 19 1HB ASN 3 1HB ASN 3 10.552 15.683 -2.809 20 2HB ASN 3 2HB ASN 3 11.676 15.643 -4.162 21 1HD2 ASN 3 2HD2 ASN 3 9.545 15.821 -6.174 22 2HD2 ASN 3 1HD2 ASN 3 9.000 17.461 -6.119 23 H GLU 4 H GLU 4 9.590 13.206 -2.073 24 HA GLU 4 HA GLU 4 12.049 11.932 -1.609 25 1HB GLU 4 1HB GLU 4 9.321 11.448 -0.406 26 2HB GLU 4 2HB GLU 4 10.762 10.600 0.132 27 1HG GLU 4 1HG GLU 4 10.516 12.343 1.654 28 2HG GLU 4 2HG GLU 4 11.770 12.905 0.552 29 H LEU 5 H LEU 5 9.220 10.875 -3.364 30 HA LEU 5 HA LEU 5 10.199 8.142 -3.576 31 1HB LEU 5 1HB LEU 5 7.700 8.921 -3.578 32 2HB LEU 5 2HB LEU 5 7.989 9.299 -5.267 33 HG LEU 5 HG LEU 5 8.817 6.837 -5.446 34 1HD1 LEU 5 1HD1 LEU 5 8.903 6.374 -3.063 35 2HD1 LEU 5 2HD1 LEU 5 7.766 5.296 -3.870 36 3HD1 LEU 5 3HD1 LEU 5 7.168 6.661 -2.926 37 1HD2 LEU 5 1HD2 LEU 5 5.881 7.406 -5.031 38 2HD2 LEU 5 2HD2 LEU 5 6.569 6.026 -5.895 39 3HD2 LEU 5 3HD2 LEU 5 6.786 7.659 -6.526 40 H GLU 6 H GLU 6 9.886 11.052 -5.538 41 HA GLU 6 HA GLU 6 10.838 9.990 -7.981 42 1HB GLU 6 1HB GLU 6 10.986 12.846 -6.982 43 2HB GLU 6 2HB GLU 6 11.124 12.328 -8.658 44 1HG GLU 6 1HG GLU 6 8.822 11.558 -8.637 45 2HG GLU 6 2HG GLU 6 8.676 11.984 -6.932 46 H ALA 7 H ALA 7 12.474 10.917 -5.109 47 HA ALA 7 HA ALA 7 14.890 11.920 -6.076 48 1HB ALA 7 1HB ALA 7 15.797 11.435 -3.867 49 2HB ALA 7 2HB ALA 7 14.422 10.385 -3.522 50 3HB ALA 7 3HB ALA 7 14.174 12.117 -3.746 51 H GLN 8 H GLN 8 13.927 8.559 -5.494 52 HA GLN 8 HA GLN 8 16.636 7.608 -5.997 53 1HB GLN 8 1HB GLN 8 14.071 6.141 -5.322 54 2HB GLN 8 2HB GLN 8 15.644 5.368 -5.504 55 1HG GLN 8 1HG GLN 8 16.530 6.605 -3.636 56 2HG GLN 8 2HG GLN 8 15.049 7.548 -3.509 57 1HE2 GLN 8 2HE2 GLN 8 16.505 4.417 -2.997 58 2HE2 GLN 8 1HE2 GLN 8 15.278 3.807 -1.938 59 H THR 9 H THR 9 17.223 6.250 -7.766 60 HA THR 9 HA THR 9 15.622 7.009 -10.120 61 HB THR 9 HB THR 9 18.619 6.574 -9.952 62 HG1 THR 9 HG1 THR 9 18.153 8.461 -8.880 63 1HG2 THR 9 1HG2 THR 9 18.684 7.628 -12.167 64 2HG2 THR 9 2HG2 THR 9 16.924 7.720 -12.182 65 3HG2 THR 9 3HG2 THR 9 17.724 6.148 -12.200 66 H ARG 10 H ARG 10 15.228 5.644 -11.751 67 HA ARG 10 HA ARG 10 14.765 3.725 -12.838 68 1HB ARG 10 1HB ARG 10 17.564 3.096 -11.899 69 2HB ARG 10 2HB ARG 10 16.672 2.058 -12.998 70 1HG ARG 10 1HG ARG 10 17.384 4.941 -13.540 71 2HG ARG 10 2HG ARG 10 18.274 3.543 -14.142 72 1HD ARG 10 1HD ARG 10 16.901 4.152 -15.934 73 2HD ARG 10 2HD ARG 10 16.039 2.811 -15.184 74 HE ARG 10 HE ARG 10 15.281 5.496 -14.350 75 1HH1 ARG 10 1HH1 ARG 10 14.540 2.709 -16.340 76 2HH1 ARG 10 2HH1 ARG 10 12.898 3.191 -16.627 77 1HH2 ARG 10 1HH2 ARG 10 13.144 6.161 -14.776 78 2HH2 ARG 10 2HH2 ARG 10 12.116 5.180 -15.773 79 H VAL 11 H VAL 11 14.773 3.762 -9.599 80 HA VAL 11 HA VAL 11 13.796 0.996 -9.464 81 HB VAL 11 HB VAL 11 15.535 1.296 -7.837 82 1HG1 VAL 11 1HG1 VAL 11 15.493 3.005 -6.095 83 2HG1 VAL 11 2HG1 VAL 11 14.022 3.691 -6.786 84 3HG1 VAL 11 3HG1 VAL 11 15.531 3.739 -7.698 85 1HG2 VAL 11 1HG2 VAL 11 13.615 -0.033 -7.119 86 2HG2 VAL 11 2HG2 VAL 11 12.846 1.412 -6.458 87 3HG2 VAL 11 3HG2 VAL 11 14.345 0.806 -5.751 88 H LYS 12 H LYS 12 13.113 4.291 -8.246 89 HA LYS 12 HA LYS 12 10.381 3.439 -7.696 90 1HB LYS 12 1HB LYS 12 11.902 5.926 -6.918 91 2HB LYS 12 2HB LYS 12 10.188 5.687 -6.572 92 1HG LYS 12 1HG LYS 12 10.934 3.486 -5.454 93 2HG LYS 12 2HG LYS 12 12.552 4.186 -5.484 94 1HD LYS 12 1HD LYS 12 11.881 5.998 -4.084 95 2HD LYS 12 2HD LYS 12 10.175 5.587 -4.261 96 1HE LYS 12 1HE LYS 12 10.655 3.413 -3.114 97 2HE LYS 12 2HE LYS 12 12.291 3.988 -2.813 98 1HZ LYS 12 1HZ LYS 12 9.768 5.160 -1.774 99 2HZ LYS 12 2HZ LYS 12 11.287 5.882 -1.601 100 3HZ LYS 12 3HZ LYS 12 10.978 4.383 -0.888 101 H LEU 13 H LEU 13 12.080 5.080 -10.149 102 HA LEU 13 HA LEU 13 9.787 6.510 -11.153 103 1HB LEU 13 1HB LEU 13 12.506 5.881 -12.277 104 2HB LEU 13 2HB LEU 13 11.248 6.523 -13.314 105 HG LEU 13 HG LEU 13 12.688 8.322 -12.577 106 1HD1 LEU 13 1HD1 LEU 13 10.019 8.448 -11.174 107 2HD1 LEU 13 2HD1 LEU 13 10.324 8.838 -12.867 108 3HD1 LEU 13 3HD1 LEU 13 11.039 9.826 -11.593 109 1HD2 LEU 13 1HD2 LEU 13 11.969 7.507 -9.760 110 2HD2 LEU 13 2HD2 LEU 13 12.894 8.938 -10.216 111 3HD2 LEU 13 3HD2 LEU 13 13.548 7.331 -10.526 112 H ASN 14 H ASN 14 11.339 3.406 -11.708 113 HA ASN 14 HA ASN 14 9.581 2.466 -13.722 114 1HB ASN 14 1HB ASN 14 11.094 0.875 -11.618 115 2HB ASN 14 2HB ASN 14 10.373 0.214 -13.082 116 1HD2 ASN 14 2HD2 ASN 14 12.338 -0.576 -13.816 117 2HD2 ASN 14 1HD2 ASN 14 13.573 0.462 -14.437 118 H TYR 15 H TYR 15 9.652 2.124 -10.200 119 HA TYR 15 HA TYR 15 7.236 0.787 -9.834 120 1HB TYR 15 1HB TYR 15 8.884 1.168 -8.029 121 2HB TYR 15 2HB TYR 15 8.494 2.884 -8.037 122 HD1 TYR 15 HD1 TYR 15 7.146 -0.487 -7.287 123 HD2 TYR 15 HD2 TYR 15 6.590 3.714 -6.843 124 HE1 TYR 15 HE1 TYR 15 5.368 -0.899 -5.641 125 HE2 TYR 15 HE2 TYR 15 4.812 3.308 -5.197 126 HH TYR 15 HH TYR 15 3.220 1.483 -4.621 127 H LEU 16 H LEU 16 7.930 4.248 -10.119 128 HA LEU 16 HA LEU 16 5.346 5.252 -9.727 129 1HB LEU 16 1HB LEU 16 7.547 6.531 -9.890 130 2HB LEU 16 2HB LEU 16 7.410 6.391 -11.628 131 HG LEU 16 HG LEU 16 5.335 7.779 -9.913 132 1HD1 LEU 16 1HD1 LEU 16 7.480 8.913 -9.659 133 2HD1 LEU 16 2HD1 LEU 16 6.366 9.886 -10.618 134 3HD1 LEU 16 3HD1 LEU 16 7.662 8.991 -11.412 135 1HD2 LEU 16 1HD2 LEU 16 4.503 7.083 -12.096 136 2HD2 LEU 16 2HD2 LEU 16 5.876 7.855 -12.888 137 3HD2 LEU 16 3HD2 LEU 16 4.681 8.836 -12.039 138 H ASP 17 H ASP 17 7.021 4.193 -12.648 139 HA ASP 17 HA ASP 17 5.130 4.851 -14.561 140 1HB ASP 17 1HB ASP 17 7.396 4.087 -15.113 141 2HB ASP 17 2HB ASP 17 7.011 2.473 -14.524 142 H GLN 18 H GLN 18 5.500 1.750 -12.824 143 HA GLN 18 HA GLN 18 3.163 0.639 -14.057 144 1HB GLN 18 1HB GLN 18 3.542 -1.305 -12.619 145 2HB GLN 18 2HB GLN 18 5.026 -0.796 -13.405 146 1HG GLN 18 1HG GLN 18 5.777 -1.234 -11.285 147 2HG GLN 18 2HG GLN 18 5.445 0.492 -11.170 148 1HE2 GLN 18 2HE2 GLN 18 5.115 0.484 -8.978 149 2HE2 GLN 18 1HE2 GLN 18 3.758 -0.271 -8.225 150 H ILE 19 H ILE 19 3.809 2.176 -10.939 151 HA ILE 19 HA ILE 19 1.369 1.386 -9.694 152 HB ILE 19 HB ILE 19 3.507 2.239 -8.525 153 1HG1 ILE 19 1HG1 ILE 19 2.150 3.366 -6.679 154 2HG1 ILE 19 2HG1 ILE 19 0.746 3.200 -7.730 155 1HG2 ILE 19 1HG2 ILE 19 2.244 4.918 -9.120 156 2HG2 ILE 19 2HG2 ILE 19 3.758 4.314 -9.791 157 3HG2 ILE 19 3HG2 ILE 19 3.628 4.632 -8.062 158 1HD1 ILE 19 1HD1 ILE 19 0.816 1.421 -6.101 159 2HD1 ILE 19 2HD1 ILE 19 2.433 0.959 -6.635 160 3HD1 ILE 19 3HD1 ILE 19 1.057 0.769 -7.721 161 H ALA 20 H ALA 20 2.277 3.953 -11.838 162 HA ALA 20 HA ALA 20 -0.208 5.404 -11.459 163 1HB ALA 20 1HB ALA 20 1.855 6.631 -11.980 164 2HB ALA 20 2HB ALA 20 0.624 6.881 -13.218 165 3HB ALA 20 3HB ALA 20 1.970 5.781 -13.523 166 H LYS 21 H LYS 21 1.319 3.355 -13.914 167 HA LYS 21 HA LYS 21 -0.628 3.737 -15.903 168 1HB LYS 21 1HB LYS 21 1.843 2.518 -15.772 169 2HB LYS 21 2HB LYS 21 0.773 1.142 -15.988 170 1HG LYS 21 1HG LYS 21 0.882 3.559 -17.793 171 2HG LYS 21 2HG LYS 21 1.673 2.014 -18.107 172 1HD LYS 21 1HD LYS 21 -0.496 0.899 -18.175 173 2HD LYS 21 2HD LYS 21 -1.308 2.418 -17.786 174 1HE LYS 21 1HE LYS 21 -1.442 1.938 -20.178 175 2HE LYS 21 2HE LYS 21 -0.494 3.393 -19.880 176 1HZ LYS 21 1HZ LYS 21 1.524 2.056 -20.132 177 2HZ LYS 21 2HZ LYS 21 0.570 2.016 -21.524 178 3HZ LYS 21 3HZ LYS 21 0.586 0.694 -20.476 179 H PHE 22 H PHE 22 -0.157 0.907 -13.749 180 HA PHE 22 HA PHE 22 -2.310 -0.587 -14.707 181 1HB PHE 22 1HB PHE 22 -0.708 -1.669 -13.301 182 2HB PHE 22 2HB PHE 22 -0.982 -0.527 -11.989 183 HD1 PHE 22 HD1 PHE 22 -2.596 -3.273 -13.916 184 HD2 PHE 22 HD2 PHE 22 -2.580 -0.968 -10.336 185 HE1 PHE 22 HE1 PHE 22 -4.256 -4.797 -12.927 186 HE2 PHE 22 HE2 PHE 22 -4.234 -2.485 -9.336 187 HZ PHE 22 HZ PHE 22 -5.079 -4.406 -10.636 188 H TRP 23 H TRP 23 -2.196 1.637 -11.954 189 HA TRP 23 HA TRP 23 -4.916 1.300 -11.237 190 1HB TRP 23 1HB TRP 23 -3.220 2.019 -9.627 191 2HB TRP 23 2HB TRP 23 -2.959 3.502 -10.535 192 HD1 TRP 23 HD1 TRP 23 -3.835 5.355 -9.031 193 HE1 TRP 23 HE1 TRP 23 -6.026 5.835 -7.774 194 HE3 TRP 23 HE3 TRP 23 -6.221 0.904 -9.820 195 HZ2 TRP 23 HZ2 TRP 23 -8.436 4.494 -7.166 196 HZ3 TRP 23 HZ3 TRP 23 -8.462 0.581 -8.869 197 HH2 TRP 23 HH2 TRP 23 -9.547 2.341 -7.562 198 H GLU 24 H GLU 24 -3.252 3.496 -13.425 199 HA GLU 24 HA GLU 24 -5.422 5.354 -13.630 200 1HB GLU 24 1HB GLU 24 -3.035 5.903 -14.149 201 2HB GLU 24 2HB GLU 24 -3.147 4.890 -15.580 202 1HG GLU 24 1HG GLU 24 -4.800 6.360 -16.546 203 2HG GLU 24 2HG GLU 24 -4.847 7.326 -15.072 204 H ILE 25 H ILE 25 -4.388 2.486 -15.389 205 HA ILE 25 HA ILE 25 -6.411 2.705 -17.426 206 HB ILE 25 HB ILE 25 -4.650 0.358 -16.654 207 1HG1 ILE 25 1HG1 ILE 25 -3.349 2.259 -17.448 208 2HG1 ILE 25 2HG1 ILE 25 -3.356 0.997 -18.675 209 1HG2 ILE 25 1HG2 ILE 25 -6.629 -0.446 -17.811 210 2HG2 ILE 25 2HG2 ILE 25 -5.226 -0.565 -18.873 211 3HG2 ILE 25 3HG2 ILE 25 -6.391 0.740 -19.096 212 1HD1 ILE 25 1HD1 ILE 25 -5.077 2.229 -19.910 213 2HD1 ILE 25 2HD1 ILE 25 -3.609 3.178 -19.680 214 3HD1 ILE 25 3HD1 ILE 25 -5.030 3.501 -18.688 215 H GLN 26 H GLN 26 -6.317 1.637 -14.202 216 HA GLN 26 HA GLN 26 -8.444 -0.295 -14.335 217 1HB GLN 26 1HB GLN 26 -6.596 -0.164 -12.585 218 2HB GLN 26 2HB GLN 26 -7.461 1.201 -11.896 219 1HG GLN 26 1HG GLN 26 -7.969 -0.805 -10.663 220 2HG GLN 26 2HG GLN 26 -9.411 -0.249 -11.511 221 1HE2 GLN 26 2HE2 GLN 26 -6.911 -2.671 -11.394 222 2HE2 GLN 26 1HE2 GLN 26 -7.705 -3.827 -12.402 223 H GLY 27 H GLY 27 -9.008 2.338 -15.521 224 1HA GLY 27 1HA GLY 27 -10.766 3.789 -15.703 225 2HA GLY 27 2HA GLY 27 -11.638 2.731 -14.603 226 H SER 28 H SER 28 -8.620 4.330 -13.848 227 HA SER 28 HA SER 28 -9.930 6.325 -12.189 228 1HB SER 28 1HB SER 28 -8.133 4.169 -11.030 229 2HB SER 28 2HB SER 28 -8.706 5.589 -10.152 230 HG SER 28 HG SER 28 -10.249 3.459 -11.216 231 H SER 29 H SER 29 -7.884 7.289 -10.769 232 HA SER 29 HA SER 29 -5.518 7.498 -12.484 233 1HB SER 29 1HB SER 29 -5.495 9.989 -12.103 234 2HB SER 29 2HB SER 29 -6.812 9.431 -13.134 235 HG SER 29 HG SER 29 -7.646 9.380 -10.601 236 H LEU 30 H LEU 30 -3.613 7.998 -11.333 237 HA LEU 30 HA LEU 30 -3.658 6.991 -8.661 238 1HB LEU 30 1HB LEU 30 -1.830 6.535 -10.284 239 2HB LEU 30 2HB LEU 30 -1.360 8.222 -10.188 240 HG LEU 30 HG LEU 30 -0.874 7.925 -7.768 241 1HD1 LEU 30 1HD1 LEU 30 -1.446 5.011 -8.331 242 2HD1 LEU 30 2HD1 LEU 30 -2.385 6.079 -7.285 243 3HD1 LEU 30 3HD1 LEU 30 -0.730 5.652 -6.852 244 1HD2 LEU 30 1HD2 LEU 30 1.182 6.634 -8.071 245 2HD2 LEU 30 2HD2 LEU 30 0.911 7.735 -9.422 246 3HD2 LEU 30 3HD2 LEU 30 0.570 6.014 -9.604 247 H LYS 31 H LYS 31 -3.936 8.096 -6.864 248 HA LYS 31 HA LYS 31 -2.965 10.848 -6.663 249 1HB LYS 31 1HB LYS 31 -5.577 10.540 -7.145 250 2HB LYS 31 2HB LYS 31 -5.624 10.212 -5.421 251 1HG LYS 31 1HG LYS 31 -4.562 12.731 -6.704 252 2HG LYS 31 2HG LYS 31 -6.141 12.550 -5.941 253 1HD LYS 31 1HD LYS 31 -5.041 12.090 -3.790 254 2HD LYS 31 2HD LYS 31 -3.463 12.270 -4.560 255 1HE LYS 31 1HE LYS 31 -4.057 14.598 -5.156 256 2HE LYS 31 2HE LYS 31 -5.582 14.408 -4.293 257 1HZ LYS 31 1HZ LYS 31 -2.893 14.145 -3.061 258 2HZ LYS 31 2HZ LYS 31 -4.378 14.084 -2.249 259 3HZ LYS 31 3HZ LYS 31 -3.866 15.524 -2.974 260 H ILE 32 H ILE 32 -1.279 9.692 -5.541 261 HA ILE 32 HA ILE 32 -1.905 8.206 -3.158 262 HB ILE 32 HB ILE 32 0.600 8.196 -2.819 263 1HG1 ILE 32 1HG1 ILE 32 0.512 9.654 -5.476 264 2HG1 ILE 32 2HG1 ILE 32 1.241 10.219 -3.977 265 1HG2 ILE 32 1HG2 ILE 32 1.001 6.594 -4.621 266 2HG2 ILE 32 2HG2 ILE 32 -0.429 7.179 -5.470 267 3HG2 ILE 32 3HG2 ILE 32 -0.598 6.367 -3.914 268 1HD1 ILE 32 1HD1 ILE 32 2.939 9.502 -5.533 269 2HD1 ILE 32 2HD1 ILE 32 2.188 7.912 -5.661 270 3HD1 ILE 32 3HD1 ILE 32 2.910 8.427 -4.137 271 HA PRO 33 HA PRO 33 -2.225 11.795 -0.546 272 1HB PRO 33 1HB PRO 33 -2.041 9.866 1.684 273 2HB PRO 33 2HB PRO 33 -3.361 10.955 1.245 274 1HG PRO 33 1HG PRO 33 -3.555 8.303 0.885 275 2HG PRO 33 2HG PRO 33 -4.281 9.453 -0.256 276 1HD PRO 33 1HD PRO 33 -1.709 7.917 -0.494 277 2HD PRO 33 2HD PRO 33 -2.969 8.203 -1.715 278 H ASN 34 H ASN 34 -1.187 12.448 1.660 279 HA ASN 34 HA ASN 34 1.630 11.681 1.827 280 1HB ASN 34 1HB ASN 34 2.324 14.053 1.966 281 2HB ASN 34 2HB ASN 34 1.651 13.648 0.395 282 1HD2 ASN 34 2HD2 ASN 34 1.912 16.240 1.705 283 2HD2 ASN 34 1HD2 ASN 34 0.316 16.900 1.777 284 H VAL 35 H VAL 35 2.582 12.017 3.780 285 HA VAL 35 HA VAL 35 1.112 13.200 5.949 286 HB VAL 35 HB VAL 35 0.170 10.921 5.908 287 1HG1 VAL 35 1HG1 VAL 35 2.044 9.741 4.888 288 2HG1 VAL 35 2HG1 VAL 35 1.566 8.971 6.400 289 3HG1 VAL 35 3HG1 VAL 35 3.009 9.983 6.346 290 1HG2 VAL 35 1HG2 VAL 35 0.381 12.068 8.053 291 2HG2 VAL 35 2HG2 VAL 35 1.998 11.395 8.269 292 3HG2 VAL 35 3HG2 VAL 35 0.592 10.330 8.247 293 H GLU 36 H GLU 36 2.465 13.715 7.719 294 HA GLU 36 HA GLU 36 4.392 14.238 8.787 295 1HB GLU 36 1HB GLU 36 5.450 11.764 7.401 296 2HB GLU 36 2HB GLU 36 6.289 12.642 8.670 297 1HG GLU 36 1HG GLU 36 3.710 11.106 8.888 298 2HG GLU 36 2HG GLU 36 5.247 10.757 9.678 299 H ARG 37 H ARG 37 3.764 15.124 6.033 300 HA ARG 37 HA ARG 37 4.585 16.632 4.554 301 1HB ARG 37 1HB ARG 37 7.017 16.517 6.345 302 2HB ARG 37 2HB ARG 37 6.986 17.485 4.881 303 1HG ARG 37 1HG ARG 37 6.496 18.919 6.716 304 2HG ARG 37 2HG ARG 37 5.009 18.699 5.797 305 1HD ARG 37 1HD ARG 37 4.249 17.037 7.439 306 2HD ARG 37 2HD ARG 37 5.739 17.266 8.357 307 HE ARG 37 HE ARG 37 4.414 19.741 7.978 308 1HH1 ARG 37 1HH1 ARG 37 4.230 16.793 9.863 309 2HH1 ARG 37 2HH1 ARG 37 3.395 17.543 11.184 310 1HH2 ARG 37 1HH2 ARG 37 3.321 20.729 9.710 311 2HH2 ARG 37 2HH2 ARG 37 2.853 19.783 11.086 312 H ARG 38 H ARG 38 5.111 13.589 4.578 313 HA ARG 38 HA ARG 38 6.961 13.597 2.283 314 1HB ARG 38 1HB ARG 38 8.018 12.566 4.250 315 2HB ARG 38 2HB ARG 38 6.663 11.456 4.409 316 1HG ARG 38 1HG ARG 38 7.239 10.337 2.380 317 2HG ARG 38 2HG ARG 38 8.435 11.570 1.973 318 1HD ARG 38 1HD ARG 38 8.569 9.682 4.330 319 2HD ARG 38 2HD ARG 38 9.497 9.537 2.836 320 HE ARG 38 HE ARG 38 9.806 12.031 4.309 321 1HH1 ARG 38 1HH1 ARG 38 11.110 8.850 3.608 322 2HH1 ARG 38 2HH1 ARG 38 12.698 9.250 4.184 323 1HH2 ARG 38 1HH2 ARG 38 11.891 12.552 5.024 324 2HH2 ARG 38 2HH2 ARG 38 13.142 11.345 4.989 325 H ILE 39 H ILE 39 6.500 12.091 0.627 326 HA ILE 39 HA ILE 39 3.764 11.663 0.064 327 HB ILE 39 HB ILE 39 5.360 11.912 -1.727 328 1HG1 ILE 39 1HG1 ILE 39 3.337 10.160 -1.849 329 2HG1 ILE 39 2HG1 ILE 39 4.415 10.444 -3.208 330 1HG2 ILE 39 1HG2 ILE 39 7.074 10.220 -2.234 331 2HG2 ILE 39 2HG2 ILE 39 6.658 9.372 -0.744 332 3HG2 ILE 39 3HG2 ILE 39 7.334 11.000 -0.674 333 1HD1 ILE 39 1HD1 ILE 39 3.968 8.069 -2.830 334 2HD1 ILE 39 2HD1 ILE 39 4.687 8.194 -1.225 335 3HD1 ILE 39 3HD1 ILE 39 5.679 8.457 -2.660 336 H LEU 40 H LEU 40 2.483 9.854 0.250 337 HA LEU 40 HA LEU 40 3.124 8.024 2.333 338 1HB LEU 40 1HB LEU 40 0.810 8.806 1.699 339 2HB LEU 40 2HB LEU 40 0.912 7.776 0.283 340 HG LEU 40 HG LEU 40 1.129 5.796 1.758 341 1HD1 LEU 40 1HD1 LEU 40 2.141 6.861 3.698 342 2HD1 LEU 40 2HD1 LEU 40 0.660 6.022 4.157 343 3HD1 LEU 40 3HD1 LEU 40 0.662 7.779 3.990 344 1HD2 LEU 40 1HD2 LEU 40 -1.297 7.512 2.308 345 2HD2 LEU 40 2HD2 LEU 40 -1.193 5.765 2.537 346 3HD2 LEU 40 3HD2 LEU 40 -1.068 6.452 0.918 347 H ASP 41 H ASP 41 4.786 6.668 1.982 348 HA ASP 41 HA ASP 41 5.513 5.790 -0.629 349 1HB ASP 41 1HB ASP 41 7.145 6.268 1.213 350 2HB ASP 41 2HB ASP 41 6.593 4.808 2.027 351 H LEU 42 H LEU 42 3.689 4.708 -1.336 352 HA LEU 42 HA LEU 42 2.435 2.495 -0.203 353 1HB LEU 42 1HB LEU 42 1.930 3.948 -2.333 354 2HB LEU 42 2HB LEU 42 2.876 2.742 -3.172 355 HG LEU 42 HG LEU 42 0.404 2.075 -1.555 356 1HD1 LEU 42 1HD1 LEU 42 0.646 2.565 -4.526 357 2HD1 LEU 42 2HD1 LEU 42 -0.216 3.577 -3.367 358 3HD1 LEU 42 3HD1 LEU 42 -0.781 1.940 -3.698 359 1HD2 LEU 42 1HD2 LEU 42 1.958 0.507 -3.620 360 2HD2 LEU 42 2HD2 LEU 42 0.431 0.003 -2.898 361 3HD2 LEU 42 3HD2 LEU 42 1.867 0.168 -1.891 362 H TYR 43 H TYR 43 5.468 2.818 -1.822 363 HA TYR 43 HA TYR 43 6.082 0.290 -2.706 364 1HB TYR 43 1HB TYR 43 7.439 2.644 -2.458 365 2HB TYR 43 2HB TYR 43 8.248 1.689 -1.227 366 HD1 TYR 43 HD2 TYR 43 8.483 -0.966 -2.384 367 HD2 TYR 43 HD1 TYR 43 8.799 2.831 -4.285 368 HE1 TYR 43 HE2 TYR 43 9.904 -1.958 -4.130 369 HE2 TYR 43 HE1 TYR 43 10.209 1.853 -6.033 370 HH TYR 43 HH TYR 43 10.475 -1.407 -6.572 371 H SER 44 H SER 44 7.054 1.571 0.484 372 HA SER 44 HA SER 44 7.847 -0.884 1.562 373 1HB SER 44 1HB SER 44 6.846 1.576 3.028 374 2HB SER 44 2HB SER 44 7.737 0.242 3.760 375 HG SER 44 HG SER 44 8.618 2.262 2.045 376 H LEU 45 H LEU 45 4.748 0.805 1.704 377 HA LEU 45 HA LEU 45 3.412 -0.804 3.516 378 1HB LEU 45 1HB LEU 45 2.428 1.243 2.694 379 2HB LEU 45 2HB LEU 45 2.374 0.614 1.059 380 HG LEU 45 HG LEU 45 0.709 -1.079 1.787 381 1HD1 LEU 45 1HD1 LEU 45 0.780 0.414 4.410 382 2HD1 LEU 45 2HD1 LEU 45 1.308 -1.246 4.135 383 3HD1 LEU 45 3HD1 LEU 45 -0.394 -0.823 3.960 384 1HD2 LEU 45 1HD2 LEU 45 -1.172 0.479 2.022 385 2HD2 LEU 45 2HD2 LEU 45 -0.042 0.994 0.772 386 3HD2 LEU 45 3HD2 LEU 45 -0.040 1.792 2.345 387 H SER 46 H SER 46 3.592 -1.186 -0.027 388 HA SER 46 HA SER 46 1.953 -3.496 -0.059 389 1HB SER 46 1HB SER 46 2.742 -3.738 -2.416 390 2HB SER 46 2HB SER 46 2.137 -2.125 -2.047 391 HG SER 46 HG SER 46 4.231 -1.374 -1.948 392 H LYS 47 H LYS 47 5.490 -3.032 -0.091 393 HA LYS 47 HA LYS 47 6.027 -5.807 -0.485 394 1HB LYS 47 1HB LYS 47 8.349 -5.271 -0.114 395 2HB LYS 47 2HB LYS 47 7.624 -4.023 -1.115 396 1HG LYS 47 1HG LYS 47 7.360 -2.677 1.029 397 2HG LYS 47 2HG LYS 47 8.432 -3.861 1.774 398 1HD LYS 47 1HD LYS 47 9.101 -2.172 -0.648 399 2HD LYS 47 2HD LYS 47 9.626 -1.839 0.999 400 1HE LYS 47 1HE LYS 47 11.464 -2.875 -0.039 401 2HE LYS 47 2HE LYS 47 10.733 -4.130 0.955 402 1HZ LYS 47 1HZ LYS 47 9.746 -5.106 -0.969 403 2HZ LYS 47 2HZ LYS 47 11.382 -4.865 -1.300 404 3HZ LYS 47 3HZ LYS 47 10.227 -3.820 -1.957 405 H ILE 48 H ILE 48 5.512 -3.808 2.349 406 HA ILE 48 HA ILE 48 6.413 -5.792 4.221 407 HB ILE 48 HB ILE 48 4.688 -3.337 4.614 408 1HG1 ILE 48 1HG1 ILE 48 7.580 -3.955 5.296 409 2HG1 ILE 48 2HG1 ILE 48 7.007 -2.841 4.058 410 1HG2 ILE 48 1HG2 ILE 48 5.782 -5.209 6.725 411 2HG2 ILE 48 2HG2 ILE 48 4.083 -4.998 6.300 412 3HG2 ILE 48 3HG2 ILE 48 4.979 -3.669 7.034 413 1HD1 ILE 48 1HD1 ILE 48 6.048 -1.414 5.795 414 2HD1 ILE 48 2HD1 ILE 48 7.783 -1.643 6.009 415 3HD1 ILE 48 3HD1 ILE 48 6.645 -2.523 7.030 416 H VAL 49 H VAL 49 3.231 -4.801 2.965 417 HA VAL 49 HA VAL 49 1.643 -6.561 4.454 418 HB VAL 49 HB VAL 49 1.268 -5.499 1.636 419 1HG1 VAL 49 1HG1 VAL 49 -0.717 -7.028 3.328 420 2HG1 VAL 49 2HG1 VAL 49 0.012 -7.576 1.818 421 3HG1 VAL 49 3HG1 VAL 49 -1.088 -6.199 1.816 422 1HG2 VAL 49 1HG2 VAL 49 1.232 -3.809 3.401 423 2HG2 VAL 49 2HG2 VAL 49 -0.000 -4.725 4.269 424 3HG2 VAL 49 3HG2 VAL 49 -0.373 -4.014 2.698 425 H VAL 50 H VAL 50 3.323 -7.039 1.351 426 HA VAL 50 HA VAL 50 2.550 -9.731 0.957 427 HB VAL 50 HB VAL 50 5.027 -8.280 -0.030 428 1HG1 VAL 50 1HG1 VAL 50 5.383 -10.694 -0.105 429 2HG1 VAL 50 2HG1 VAL 50 5.178 -10.052 -1.734 430 3HG1 VAL 50 3HG1 VAL 50 3.850 -10.911 -0.952 431 1HG2 VAL 50 1HG2 VAL 50 2.380 -8.832 -1.386 432 2HG2 VAL 50 2HG2 VAL 50 3.776 -8.055 -2.133 433 3HG2 VAL 50 3HG2 VAL 50 2.937 -7.266 -0.797 434 H GLU 51 H GLU 51 5.345 -8.255 2.564 435 HA GLU 51 HA GLU 51 6.744 -10.591 3.233 436 1HB GLU 51 1HB GLU 51 7.264 -7.984 3.519 437 2HB GLU 51 2HB GLU 51 6.683 -8.283 5.148 438 1HG GLU 51 1HG GLU 51 8.935 -9.802 3.840 439 2HG GLU 51 2HG GLU 51 9.154 -8.394 4.871 440 H GLU 52 H GLU 52 4.060 -8.938 4.782 441 HA GLU 52 HA GLU 52 3.973 -10.652 7.079 442 1HB GLU 52 1HB GLU 52 2.067 -8.583 5.977 443 2HB GLU 52 2HB GLU 52 1.743 -9.481 7.447 444 1HG GLU 52 1HG GLU 52 4.082 -7.643 6.962 445 2HG GLU 52 2HG GLU 52 2.668 -7.291 7.951 446 H GLY 53 H GLY 53 2.453 -10.565 3.922 447 1HA GLY 53 1HA GLY 53 2.007 -12.730 2.925 448 2HA GLY 53 2HA GLY 53 1.423 -13.276 4.487 449 H GLY 54 H GLY 54 0.106 -10.344 4.417 450 1HA GLY 54 1HA GLY 54 -1.846 -10.344 2.440 451 2HA GLY 54 2HA GLY 54 -2.473 -11.327 3.752 452 H TYR 55 H TYR 55 -3.166 -8.634 2.557 453 HA TYR 55 HA TYR 55 -2.752 -6.639 4.517 454 1HB TYR 55 1HB TYR 55 -3.339 -5.766 2.450 455 2HB TYR 55 2HB TYR 55 -4.552 -7.000 2.154 456 HD1 TYR 55 HD2 TYR 55 -3.943 -4.133 4.482 457 HD2 TYR 55 HD1 TYR 55 -6.756 -6.357 2.203 458 HE1 TYR 55 HE2 TYR 55 -5.710 -2.555 5.145 459 HE2 TYR 55 HE1 TYR 55 -8.536 -4.788 2.858 460 HH TYR 55 HH TYR 55 -9.041 -3.197 4.571 461 H GLU 56 H GLU 56 -5.429 -8.926 3.946 462 HA GLU 56 HA GLU 56 -7.202 -8.006 5.881 463 1HB GLU 56 1HB GLU 56 -7.823 -9.792 4.304 464 2HB GLU 56 2HB GLU 56 -6.702 -10.894 5.096 465 1HG GLU 56 1HG GLU 56 -8.093 -10.377 7.234 466 2HG GLU 56 2HG GLU 56 -9.313 -9.813 6.097 467 H ALA 57 H ALA 57 -4.454 -10.214 6.212 468 HA ALA 57 HA ALA 57 -4.881 -11.052 8.838 469 1HB ALA 57 1HB ALA 57 -3.241 -12.087 7.342 470 2HB ALA 57 2HB ALA 57 -2.498 -11.622 8.872 471 3HB ALA 57 3HB ALA 57 -2.237 -10.638 7.430 472 H ILE 58 H ILE 58 -2.810 -8.406 7.682 473 HA ILE 58 HA ILE 58 -2.048 -7.484 10.240 474 HB ILE 58 HB ILE 58 -2.224 -5.691 7.822 475 1HG1 ILE 58 1HG1 ILE 58 -0.002 -7.676 8.397 476 2HG1 ILE 58 2HG1 ILE 58 -1.205 -7.859 7.124 477 1HG2 ILE 58 1HG2 ILE 58 -1.554 -4.656 9.924 478 2HG2 ILE 58 2HG2 ILE 58 -0.208 -4.679 8.786 479 3HG2 ILE 58 3HG2 ILE 58 -0.260 -5.840 10.113 480 1HD1 ILE 58 1HD1 ILE 58 -0.380 -5.810 6.067 481 2HD1 ILE 58 2HD1 ILE 58 0.877 -7.037 6.220 482 3HD1 ILE 58 3HD1 ILE 58 0.846 -5.665 7.328 483 H CYS 59 H CYS 59 -4.762 -6.794 8.148 484 HA CYS 59 HA CYS 59 -5.658 -4.474 9.580 485 1HB CYS 59 1HB CYS 59 -6.093 -4.836 7.159 486 2HB CYS 59 2HB CYS 59 -7.137 -6.192 7.572 487 HG CYS 59 HG CYS 59 -8.920 -4.279 6.957 488 H LYS 60 H LYS 60 -6.256 -7.899 9.704 489 HA LYS 60 HA LYS 60 -8.659 -7.732 11.269 490 1HB LYS 60 1HB LYS 60 -7.677 -9.673 9.711 491 2HB LYS 60 2HB LYS 60 -6.957 -10.202 11.221 492 1HG LYS 60 1HG LYS 60 -8.978 -11.397 10.981 493 2HG LYS 60 2HG LYS 60 -9.280 -10.168 12.213 494 1HD LYS 60 1HD LYS 60 -10.409 -8.763 10.578 495 2HD LYS 60 2HD LYS 60 -10.022 -9.904 9.290 496 1HE LYS 60 1HE LYS 60 -12.306 -10.245 9.929 497 2HE LYS 60 2HE LYS 60 -11.368 -11.624 10.499 498 1HZ LYS 60 1HZ LYS 60 -11.271 -10.445 12.696 499 2HZ LYS 60 2HZ LYS 60 -12.798 -11.007 12.239 500 3HZ LYS 60 3HZ LYS 60 -12.427 -9.365 12.093 501 H ASP 61 H ASP 61 -5.228 -8.114 11.825 502 HA ASP 61 HA ASP 61 -5.579 -8.437 14.709 503 1HB ASP 61 1HB ASP 61 -3.914 -9.816 13.465 504 2HB ASP 61 2HB ASP 61 -3.026 -8.347 13.077 505 H ARG 62 H ARG 62 -5.148 -5.938 12.473 506 HA ARG 62 HA ARG 62 -4.790 -3.700 12.635 507 1HB ARG 62 1HB ARG 62 -6.336 -4.035 14.648 508 2HB ARG 62 2HB ARG 62 -4.889 -4.021 15.646 509 1HG ARG 62 1HG ARG 62 -4.387 -1.748 14.912 510 2HG ARG 62 2HG ARG 62 -5.805 -1.762 13.860 511 1HD ARG 62 1HD ARG 62 -7.216 -2.142 15.885 512 2HD ARG 62 2HD ARG 62 -5.771 -1.942 16.876 513 HE ARG 62 HE ARG 62 -5.995 0.303 15.229 514 1HH1 ARG 62 1HH1 ARG 62 -7.727 -1.192 17.888 515 2HH1 ARG 62 2HH1 ARG 62 -8.395 0.306 18.452 516 1HH2 ARG 62 1HH2 ARG 62 -6.877 2.264 15.979 517 2HH2 ARG 62 2HH2 ARG 62 -7.896 2.268 17.384 518 H ARG 63 H ARG 63 -2.646 -5.560 12.518 519 HA ARG 63 HA ARG 63 -0.546 -4.882 14.366 520 1HB ARG 63 1HB ARG 63 -0.834 -7.125 13.294 521 2HB ARG 63 2HB ARG 63 -0.413 -6.406 11.748 522 1HG ARG 63 1HG ARG 63 1.533 -7.473 12.522 523 2HG ARG 63 2HG ARG 63 1.795 -5.750 12.786 524 1HD ARG 63 1HD ARG 63 2.566 -6.877 14.733 525 2HD ARG 63 2HD ARG 63 1.039 -6.105 15.163 526 HE ARG 63 HE ARG 63 -0.017 -8.298 14.933 527 1HH1 ARG 63 1HH1 ARG 63 3.461 -8.193 15.323 528 2HH1 ARG 63 2HH1 ARG 63 3.571 -9.824 15.903 529 1HH2 ARG 63 1HH2 ARG 63 0.129 -10.448 15.709 530 2HH2 ARG 63 2HH2 ARG 63 1.687 -11.108 16.098 531 H TRP 64 H TRP 64 -1.826 -3.092 11.979 532 HA TRP 64 HA TRP 64 0.295 -2.162 10.433 533 1HB TRP 64 1HB TRP 64 -2.070 -0.575 11.468 534 2HB TRP 64 2HB TRP 64 -1.024 -0.100 10.132 535 HD1 TRP 64 HD1 TRP 64 -4.181 -1.854 10.810 536 HE1 TRP 64 HE1 TRP 64 -4.989 -3.108 8.719 537 HE3 TRP 64 HE3 TRP 64 0.101 -1.641 7.993 538 HZ2 TRP 64 HZ2 TRP 64 -3.967 -3.907 6.239 539 HZ3 TRP 64 HZ3 TRP 64 0.087 -2.679 5.768 540 HH2 TRP 64 HH2 TRP 64 -1.908 -3.792 4.908 541 H ALA 65 H ALA 65 -0.323 -1.745 13.775 542 HA ALA 65 HA ALA 65 1.012 0.587 14.419 543 1HB ALA 65 1HB ALA 65 1.063 -2.041 15.914 544 2HB ALA 65 2HB ALA 65 -0.163 -0.780 16.067 545 3HB ALA 65 3HB ALA 65 1.493 -0.465 16.584 546 H ARG 66 H ARG 66 2.374 -2.687 13.931 547 HA ARG 66 HA ARG 66 5.065 -1.873 14.414 548 1HB ARG 66 1HB ARG 66 5.742 -4.037 13.741 549 2HB ARG 66 2HB ARG 66 4.176 -4.265 14.505 550 1HG ARG 66 1HG ARG 66 3.105 -4.467 12.344 551 2HG ARG 66 2HG ARG 66 4.622 -4.103 11.524 552 1HD ARG 66 1HD ARG 66 4.050 -6.520 13.243 553 2HD ARG 66 2HD ARG 66 4.175 -6.496 11.483 554 HE ARG 66 HE ARG 66 6.497 -5.619 13.031 555 1HH1 ARG 66 1HH1 ARG 66 4.986 -8.099 11.052 556 2HH1 ARG 66 2HH1 ARG 66 6.474 -8.952 10.791 557 1HH2 ARG 66 1HH2 ARG 66 8.432 -6.766 12.692 558 2HH2 ARG 66 2HH2 ARG 66 8.423 -8.196 11.709 559 H VAL 67 H VAL 67 3.061 -2.040 11.549 560 HA VAL 67 HA VAL 67 5.097 -1.752 9.610 561 HB VAL 67 HB VAL 67 2.192 -0.908 9.414 562 1HG1 VAL 67 1HG1 VAL 67 4.210 -1.492 7.240 563 2HG1 VAL 67 2HG1 VAL 67 3.558 0.092 7.657 564 3HG1 VAL 67 3HG1 VAL 67 2.498 -1.148 6.987 565 1HG2 VAL 67 1HG2 VAL 67 1.823 -3.102 8.362 566 2HG2 VAL 67 2HG2 VAL 67 2.392 -3.263 10.024 567 3HG2 VAL 67 3HG2 VAL 67 3.503 -3.534 8.680 568 H ALA 68 H ALA 68 2.878 0.630 11.054 569 HA ALA 68 HA ALA 68 3.951 2.894 9.796 570 1HB ALA 68 1HB ALA 68 2.540 2.734 12.465 571 2HB ALA 68 2HB ALA 68 1.759 2.889 10.891 572 3HB ALA 68 3HB ALA 68 2.778 4.193 11.499 573 H GLN 69 H GLN 69 4.781 1.262 12.831 574 HA GLN 69 HA GLN 69 6.668 3.140 13.758 575 1HB GLN 69 1HB GLN 69 5.646 1.068 14.951 576 2HB GLN 69 2HB GLN 69 6.937 0.158 14.183 577 1HG GLN 69 1HG GLN 69 7.402 2.532 15.984 578 2HG GLN 69 2HG GLN 69 7.364 0.867 16.549 579 1HE2 GLN 69 2HE2 GLN 69 9.520 2.841 16.626 580 2HE2 GLN 69 1HE2 GLN 69 10.859 2.114 15.814 581 H ARG 70 H ARG 70 6.935 0.380 11.570 582 HA ARG 70 HA ARG 70 9.727 0.390 11.222 583 1HB ARG 70 1HB ARG 70 8.005 -1.395 10.532 584 2HB ARG 70 2HB ARG 70 7.727 -0.420 9.100 585 1HG ARG 70 1HG ARG 70 10.448 -1.472 9.850 586 2HG ARG 70 2HG ARG 70 9.309 -2.382 8.861 587 1HD ARG 70 1HD ARG 70 9.293 -0.532 7.223 588 2HD ARG 70 2HD ARG 70 10.481 0.326 8.205 589 HE ARG 70 HE ARG 70 11.608 -2.123 7.732 590 1HH1 ARG 70 1HH1 ARG 70 10.447 0.516 5.740 591 2HH1 ARG 70 2HH1 ARG 70 11.486 0.126 4.407 592 1HH2 ARG 70 1HH2 ARG 70 12.995 -2.610 6.002 593 2HH2 ARG 70 2HH2 ARG 70 12.954 -1.638 4.561 594 H LEU 71 H LEU 71 7.119 2.032 9.463 595 HA LEU 71 HA LEU 71 8.928 3.371 7.662 596 1HB LEU 71 1HB LEU 71 5.970 3.555 8.168 597 2HB LEU 71 2HB LEU 71 6.776 4.746 7.166 598 HG LEU 71 HG LEU 71 7.536 2.929 5.653 599 1HD1 LEU 71 1HD1 LEU 71 5.785 1.159 7.354 600 2HD1 LEU 71 2HD1 LEU 71 7.544 1.080 7.233 601 3HD1 LEU 71 3HD1 LEU 71 6.546 0.708 5.829 602 1HD2 LEU 71 1HD2 LEU 71 5.506 4.188 5.152 603 2HD2 LEU 71 2HD2 LEU 71 4.550 3.039 6.088 604 3HD2 LEU 71 3HD2 LEU 71 5.365 2.515 4.613 605 H ASN 72 H ASN 72 8.521 3.744 10.826 606 HA ASN 72 HA ASN 72 9.239 5.279 12.306 607 1HB ASN 72 1HB ASN 72 10.316 6.604 9.813 608 2HB ASN 72 2HB ASN 72 10.625 7.210 11.437 609 1HD2 ASN 72 2HD2 ASN 72 11.301 4.703 9.138 610 2HD2 ASN 72 1HD2 ASN 72 12.594 3.968 10.018 611 H TYR 73 H TYR 73 6.560 5.471 11.120 612 HA TYR 73 HA TYR 73 5.874 8.267 11.319 613 1HB TYR 73 1HB TYR 73 4.134 5.780 11.398 614 2HB TYR 73 2HB TYR 73 3.518 7.427 11.382 615 HD1 TYR 73 HD2 TYR 73 5.212 8.722 9.356 616 HD2 TYR 73 HD1 TYR 73 3.468 4.837 9.378 617 HE1 TYR 73 HE2 TYR 73 5.215 8.711 6.896 618 HE2 TYR 73 HE1 TYR 73 3.464 4.817 6.925 619 HH TYR 73 HH TYR 73 5.169 7.107 5.057 620 HA PRO 74 HA PRO 74 5.646 8.765 15.741 621 1HB PRO 74 1HB PRO 74 2.892 9.814 15.168 622 2HB PRO 74 2HB PRO 74 4.175 10.511 16.168 623 1HG PRO 74 1HG PRO 74 3.708 11.481 13.744 624 2HG PRO 74 2HG PRO 74 5.374 11.282 14.322 625 1HD PRO 74 1HD PRO 74 3.833 9.627 12.365 626 2HD PRO 74 2HD PRO 74 5.560 10.038 12.385 627 HA PRO 75 HA PRO 75 3.651 4.903 16.808 628 1HB PRO 75 1HB PRO 75 4.117 5.867 19.588 629 2HB PRO 75 2HB PRO 75 4.621 4.357 18.820 630 1HG PRO 75 1HG PRO 75 6.392 6.288 19.300 631 2HG PRO 75 2HG PRO 75 6.469 5.337 17.802 632 1HD PRO 75 1HD PRO 75 5.409 8.112 18.233 633 2HD PRO 75 2HD PRO 75 6.388 7.476 16.894 634 H GLY 76 H GLY 76 1.875 4.129 18.210 635 1HA GLY 76 1HA GLY 76 -0.042 4.597 19.583 636 2HA GLY 76 2HA GLY 76 -0.060 6.235 18.945 637 H LYS 77 H LYS 77 0.583 4.311 16.379 638 HA LYS 77 HA LYS 77 -0.578 3.483 14.606 639 1HB LYS 77 1HB LYS 77 -3.006 3.383 16.411 640 2HB LYS 77 2HB LYS 77 -2.796 2.535 14.887 641 1HG LYS 77 1HG LYS 77 -1.076 1.134 15.857 642 2HG LYS 77 2HG LYS 77 -1.148 2.042 17.369 643 1HD LYS 77 1HD LYS 77 -3.334 0.327 16.171 644 2HD LYS 77 2HD LYS 77 -2.385 -0.025 17.616 645 1HE LYS 77 1HE LYS 77 -4.390 2.208 17.252 646 2HE LYS 77 2HE LYS 77 -4.559 0.787 18.278 647 1HZ LYS 77 1HZ LYS 77 -2.653 3.035 18.644 648 2HZ LYS 77 2HZ LYS 77 -2.621 1.612 19.558 649 3HZ LYS 77 3HZ LYS 77 -3.967 2.635 19.632 650 H ASN 78 H ASN 78 -0.766 6.412 15.705 651 HA ASN 78 HA ASN 78 -3.219 7.525 14.997 652 1HB ASN 78 1HB ASN 78 -1.427 8.685 16.312 653 2HB ASN 78 2HB ASN 78 -0.538 8.925 14.809 654 1HD2 ASN 78 2HD2 ASN 78 -0.648 11.164 14.904 655 2HD2 ASN 78 1HD2 ASN 78 -2.122 12.035 14.660 656 H ILE 79 H ILE 79 -0.238 7.370 13.054 657 HA ILE 79 HA ILE 79 -1.553 8.337 10.683 658 HB ILE 79 HB ILE 79 1.199 7.128 11.100 659 1HG1 ILE 79 1HG1 ILE 79 1.951 9.483 10.581 660 2HG1 ILE 79 2HG1 ILE 79 0.265 9.979 10.643 661 1HG2 ILE 79 1HG2 ILE 79 0.049 8.316 8.571 662 2HG2 ILE 79 2HG2 ILE 79 0.506 6.632 8.833 663 3HG2 ILE 79 3HG2 ILE 79 1.743 7.888 8.818 664 1HD1 ILE 79 1HD1 ILE 79 1.442 10.493 12.705 665 2HD1 ILE 79 2HD1 ILE 79 1.837 8.789 12.918 666 3HD1 ILE 79 3HD1 ILE 79 0.156 9.320 12.986 667 H GLY 80 H GLY 80 -1.069 5.302 12.205 668 1HA GLY 80 1HA GLY 80 -1.034 3.527 10.044 669 2HA GLY 80 2HA GLY 80 -1.615 3.148 11.658 670 H SER 81 H SER 81 -3.783 4.914 11.815 671 HA SER 81 HA SER 81 -5.798 3.446 10.487 672 1HB SER 81 1HB SER 81 -7.313 5.267 11.315 673 2HB SER 81 2HB SER 81 -6.281 4.585 12.573 674 HG SER 81 HG SER 81 -5.975 6.689 12.859 675 H LEU 82 H LEU 82 -4.372 6.613 9.893 676 HA LEU 82 HA LEU 82 -5.887 7.485 7.738 677 1HB LEU 82 1HB LEU 82 -4.209 8.810 9.002 678 2HB LEU 82 2HB LEU 82 -2.925 7.884 8.260 679 HG LEU 82 HG LEU 82 -3.391 10.246 7.373 680 1HD1 LEU 82 1HD1 LEU 82 -2.899 9.602 5.047 681 2HD1 LEU 82 2HD1 LEU 82 -3.264 7.924 5.449 682 3HD1 LEU 82 3HD1 LEU 82 -1.903 8.738 6.217 683 1HD2 LEU 82 1HD2 LEU 82 -5.816 10.079 7.246 684 2HD2 LEU 82 2HD2 LEU 82 -5.684 8.799 6.040 685 3HD2 LEU 82 3HD2 LEU 82 -5.129 10.430 5.660 686 H LEU 83 H LEU 83 -2.813 5.721 7.673 687 HA LEU 83 HA LEU 83 -2.606 5.247 4.941 688 1HB LEU 83 1HB LEU 83 -0.785 4.853 6.503 689 2HB LEU 83 2HB LEU 83 -1.698 3.589 7.302 690 HG LEU 83 HG LEU 83 -1.552 2.202 5.259 691 1HD1 LEU 83 1HD1 LEU 83 -0.020 2.855 3.459 692 2HD1 LEU 83 2HD1 LEU 83 0.201 4.430 4.220 693 3HD1 LEU 83 3HD1 LEU 83 -1.381 3.968 3.594 694 1HD2 LEU 83 1HD2 LEU 83 1.113 3.183 6.296 695 2HD2 LEU 83 2HD2 LEU 83 0.827 1.657 5.457 696 3HD2 LEU 83 3HD2 LEU 83 0.102 1.941 7.039 697 H ARG 84 H ARG 84 -4.036 3.218 7.467 698 HA ARG 84 HA ARG 84 -4.710 1.032 5.855 699 1HB ARG 84 1HB ARG 84 -4.690 1.445 8.498 700 2HB ARG 84 2HB ARG 84 -6.405 1.702 8.230 701 1HG ARG 84 1HG ARG 84 -4.880 -0.785 7.461 702 2HG ARG 84 2HG ARG 84 -5.854 -0.599 8.917 703 1HD ARG 84 1HD ARG 84 -6.836 -0.507 6.063 704 2HD ARG 84 2HD ARG 84 -7.095 -1.808 7.225 705 HE ARG 84 HE ARG 84 -8.125 0.423 8.432 706 1HH1 ARG 84 1HH1 ARG 84 -8.712 -1.332 5.459 707 2HH1 ARG 84 2HH1 ARG 84 -10.349 -0.773 5.311 708 1HH2 ARG 84 1HH2 ARG 84 -10.289 1.135 8.246 709 2HH2 ARG 84 2HH2 ARG 84 -11.246 0.612 6.900 710 H SER 85 H SER 85 -6.455 4.009 6.588 711 HA SER 85 HA SER 85 -8.916 3.040 5.416 712 1HB SER 85 1HB SER 85 -8.213 5.832 6.383 713 2HB SER 85 2HB SER 85 -9.831 5.237 6.002 714 HG SER 85 HG SER 85 -8.113 4.240 8.034 715 H HIS 86 H HIS 86 -6.121 4.768 4.306 716 HA HIS 86 HA HIS 86 -7.454 5.498 1.815 717 1HB HIS 86 1HB HIS 86 -4.610 5.736 2.783 718 2HB HIS 86 2HB HIS 86 -5.019 5.988 1.092 719 HD1 HIS 86 HD1 HIS 86 -7.242 7.804 0.938 720 HD2 HIS 86 HD2 HIS 86 -4.553 8.079 4.091 721 HE1 HIS 86 HE1 HIS 86 -7.461 10.150 1.810 722 HE2 HIS 86 HE2 HIS 86 -5.683 10.348 3.581 723 H TYR 87 H TYR 87 -5.852 2.810 3.166 724 HA TYR 87 HA TYR 87 -4.676 1.549 1.026 725 1HB TYR 87 1HB TYR 87 -4.802 0.783 3.479 726 2HB TYR 87 2HB TYR 87 -6.325 0.020 3.042 727 HD1 TYR 87 HD2 TYR 87 -6.221 -1.632 0.980 728 HD2 TYR 87 HD1 TYR 87 -2.821 -0.416 3.241 729 HE1 TYR 87 HE2 TYR 87 -4.988 -3.600 0.178 730 HE2 TYR 87 HE1 TYR 87 -1.581 -2.382 2.440 731 HH TYR 87 HH TYR 87 -2.155 -4.692 1.554 732 H GLU 88 H GLU 88 -8.139 1.235 2.003 733 HA GLU 88 HA GLU 88 -8.768 -0.664 0.015 734 1HB GLU 88 1HB GLU 88 -10.757 1.342 1.083 735 2HB GLU 88 2HB GLU 88 -11.084 -0.262 0.448 736 1HG GLU 88 1HG GLU 88 -11.177 -0.879 2.593 737 2HG GLU 88 2HG GLU 88 -9.413 -0.834 2.533 738 H ARG 89 H ARG 89 -8.435 2.772 -0.176 739 HA ARG 89 HA ARG 89 -10.170 3.056 -2.470 740 1HB ARG 89 1HB ARG 89 -8.319 5.145 -1.316 741 2HB ARG 89 2HB ARG 89 -9.760 5.404 -2.292 742 1HG ARG 89 1HG ARG 89 -9.664 4.351 0.534 743 2HG ARG 89 2HG ARG 89 -10.204 5.949 0.023 744 1HD ARG 89 1HD ARG 89 -11.518 3.346 -0.774 745 2HD ARG 89 2HD ARG 89 -12.064 4.390 0.535 746 HE ARG 89 HE ARG 89 -11.924 5.375 -2.239 747 1HH1 ARG 89 1HH1 ARG 89 -13.754 4.745 0.683 748 2HH1 ARG 89 2HH1 ARG 89 -15.153 5.623 0.141 749 1HH2 ARG 89 1HH2 ARG 89 -13.776 6.510 -2.954 750 2HH2 ARG 89 2HH2 ARG 89 -15.163 6.623 -1.919 751 H ILE 90 H ILE 90 -6.709 2.839 -1.876 752 HA ILE 90 HA ILE 90 -6.240 3.205 -4.776 753 HB ILE 90 HB ILE 90 -4.404 4.045 -2.517 754 1HG1 ILE 90 1HG1 ILE 90 -6.337 5.553 -2.792 755 2HG1 ILE 90 2HG1 ILE 90 -4.838 6.344 -3.262 756 1HG2 ILE 90 1HG2 ILE 90 -3.112 3.267 -4.418 757 2HG2 ILE 90 2HG2 ILE 90 -2.992 5.022 -4.293 758 3HG2 ILE 90 3HG2 ILE 90 -4.044 4.295 -5.508 759 1HD1 ILE 90 1HD1 ILE 90 -6.622 6.896 -4.794 760 2HD1 ILE 90 2HD1 ILE 90 -6.897 5.187 -5.129 761 3HD1 ILE 90 3HD1 ILE 90 -5.384 5.948 -5.619 762 H VAL 91 H VAL 91 -5.120 1.580 -1.817 763 HA VAL 91 HA VAL 91 -3.026 0.209 -3.297 764 HB VAL 91 HB VAL 91 -3.689 -0.051 -0.359 765 1HG1 VAL 91 1HG1 VAL 91 -2.248 -1.820 -1.193 766 2HG1 VAL 91 2HG1 VAL 91 -1.325 -0.727 -0.161 767 3HG1 VAL 91 3HG1 VAL 91 -1.163 -0.632 -1.915 768 1HG2 VAL 91 1HG2 VAL 91 -3.313 2.302 -0.901 769 2HG2 VAL 91 2HG2 VAL 91 -1.792 1.891 -1.694 770 3HG2 VAL 91 3HG2 VAL 91 -1.973 1.657 0.045 771 H TYR 92 H TYR 92 -6.181 -0.515 -2.039 772 HA TYR 92 HA TYR 92 -5.965 -3.216 -1.466 773 1HB TYR 92 1HB TYR 92 -7.990 -1.472 -1.320 774 2HB TYR 92 2HB TYR 92 -8.486 -2.309 -2.781 775 HD1 TYR 92 HD2 TYR 92 -7.010 -4.950 -1.445 776 HD2 TYR 92 HD1 TYR 92 -10.186 -2.307 -0.400 777 HE1 TYR 92 HE2 TYR 92 -8.018 -6.710 -0.059 778 HE2 TYR 92 HE1 TYR 92 -11.194 -4.064 0.989 779 HH TYR 92 HH TYR 92 -9.561 -6.848 1.910 780 HA PRO 93 HA PRO 93 -7.112 -4.190 -6.169 781 1HB PRO 93 1HB PRO 93 -5.852 -1.767 -7.385 782 2HB PRO 93 2HB PRO 93 -7.290 -2.663 -7.893 783 1HG PRO 93 1HG PRO 93 -7.535 -0.306 -6.687 784 2HG PRO 93 2HG PRO 93 -8.652 -1.632 -6.306 785 1HD PRO 93 1HD PRO 93 -6.305 -0.618 -4.737 786 2HD PRO 93 2HD PRO 93 -7.899 -1.154 -4.162 787 H TYR 94 H TYR 94 -4.289 -2.452 -5.027 788 HA TYR 94 HA TYR 94 -2.478 -3.813 -6.798 789 1HB TYR 94 1HB TYR 94 -2.162 -1.751 -4.656 790 2HB TYR 94 2HB TYR 94 -0.748 -2.676 -5.163 791 HD1 TYR 94 HD1 TYR 94 0.112 -2.501 -7.441 792 HD2 TYR 94 HD2 TYR 94 -3.201 -0.138 -6.177 793 HE1 TYR 94 HE1 TYR 94 0.380 -1.071 -9.420 794 HE2 TYR 94 HE2 TYR 94 -2.929 1.300 -8.143 795 HH TYR 94 HH TYR 94 -1.160 1.921 -9.747 796 H GLU 95 H GLU 95 -3.642 -4.324 -3.511 797 HA GLU 95 HA GLU 95 -1.818 -6.367 -2.823 798 1HB GLU 95 1HB GLU 95 -3.361 -5.717 -1.093 799 2HB GLU 95 2HB GLU 95 -4.752 -6.059 -2.124 800 1HG GLU 95 1HG GLU 95 -4.238 -8.432 -2.090 801 2HG GLU 95 2HG GLU 95 -2.785 -8.128 -1.145 802 H MET 96 H MET 96 -4.973 -6.496 -4.405 803 HA MET 96 HA MET 96 -5.007 -9.217 -5.023 804 1HB MET 96 1HB MET 96 -6.871 -7.406 -5.155 805 2HB MET 96 2HB MET 96 -6.276 -7.121 -6.783 806 1HG MET 96 1HG MET 96 -7.284 -9.764 -5.742 807 2HG MET 96 2HG MET 96 -8.223 -8.623 -6.702 808 1HE MET 96 1HE MET 96 -7.856 -11.696 -7.421 809 2HE MET 96 2HE MET 96 -7.593 -11.601 -9.164 810 3HE MET 96 3HE MET 96 -8.806 -10.575 -8.396 811 H TYR 97 H TYR 97 -3.577 -6.480 -6.683 812 HA TYR 97 HA TYR 97 -2.918 -7.802 -9.102 813 1HB TYR 97 1HB TYR 97 -2.998 -5.344 -8.866 814 2HB TYR 97 2HB TYR 97 -1.594 -5.402 -7.806 815 HD1 TYR 97 HD2 TYR 97 -2.524 -6.751 -11.179 816 HD2 TYR 97 HD1 TYR 97 0.390 -4.742 -8.811 817 HE1 TYR 97 HE2 TYR 97 -1.066 -6.563 -13.144 818 HE2 TYR 97 HE1 TYR 97 1.856 -4.548 -10.777 819 HH TYR 97 HH TYR 97 2.208 -5.633 -12.938 820 H GLN 98 H GLN 98 -0.696 -6.798 -6.465 821 HA GLN 98 HA GLN 98 1.493 -8.252 -7.465 822 1HB GLN 98 1HB GLN 98 0.967 -7.305 -4.638 823 2HB GLN 98 2HB GLN 98 2.507 -7.933 -5.211 824 1HG GLN 98 1HG GLN 98 2.459 -6.065 -6.939 825 2HG GLN 98 2HG GLN 98 1.127 -5.381 -6.004 826 1HE2 GLN 98 2HE2 GLN 98 2.290 -3.546 -5.434 827 2HE2 GLN 98 1HE2 GLN 98 3.600 -3.583 -4.308 828 H SER 99 H SER 99 -0.868 -9.069 -4.940 829 HA SER 99 HA SER 99 0.199 -11.614 -4.343 830 1HB SER 99 1HB SER 99 -2.675 -10.673 -4.082 831 2HB SER 99 2HB SER 99 -1.953 -12.059 -3.262 832 HG SER 99 HG SER 99 -1.776 -9.376 -2.683 833 H GLY 100 H GLY 100 -2.208 -10.487 -6.691 834 1HA GLY 100 1HA GLY 100 -3.074 -12.992 -7.626 835 2HA GLY 100 2HA GLY 100 -3.111 -11.494 -8.545 836 H ALA 101 H ALA 101 -0.201 -11.131 -8.304 837 HA ALA 101 HA ALA 101 0.674 -12.806 -10.467 838 1HB ALA 101 1HB ALA 101 2.262 -10.886 -8.757 839 2HB ALA 101 2HB ALA 101 1.423 -10.475 -10.253 840 3HB ALA 101 3HB ALA 101 2.784 -11.595 -10.286 841 H ASN 102 H ASN 102 1.638 -12.462 -7.055 842 HA ASN 102 HA ASN 102 3.468 -14.708 -7.279 843 1HB ASN 102 1HB ASN 102 2.810 -12.871 -4.963 844 2HB ASN 102 2HB ASN 102 4.004 -14.163 -4.884 845 1HD2 ASN 102 2HD2 ASN 102 3.246 -11.032 -6.188 846 2HD2 ASN 102 1HD2 ASN 102 4.840 -10.648 -6.734 847 H LEU 103 H LEU 103 0.794 -13.933 -5.016 848 HA LEU 103 HA LEU 103 -0.290 -16.568 -5.153 849 1HB LEU 103 1HB LEU 103 0.146 -17.335 -2.921 850 2HB LEU 103 2HB LEU 103 1.679 -16.989 -3.692 851 HG LEU 103 HG LEU 103 0.327 -15.146 -1.702 852 1HD1 LEU 103 1HD1 LEU 103 2.592 -17.094 -1.268 853 2HD1 LEU 103 2HD1 LEU 103 0.955 -17.244 -0.631 854 3HD1 LEU 103 3HD1 LEU 103 1.993 -15.924 -0.093 855 1HD2 LEU 103 1HD2 LEU 103 3.127 -15.124 -2.843 856 2HD2 LEU 103 2HD2 LEU 103 2.513 -14.041 -1.593 857 3HD2 LEU 103 3HD2 LEU 103 1.841 -13.976 -3.221 858 H VAL 104 H VAL 104 -2.426 -16.288 -4.914 859 HA VAL 104 HA VAL 104 -3.326 -13.958 -3.354 860 HB VAL 104 HB VAL 104 -3.538 -13.392 -5.684 861 1HG1 VAL 104 1HG1 VAL 104 -5.194 -15.896 -6.017 862 2HG1 VAL 104 2HG1 VAL 104 -3.571 -15.631 -6.653 863 3HG1 VAL 104 3HG1 VAL 104 -4.920 -14.664 -7.251 864 1HG2 VAL 104 1HG2 VAL 104 -5.942 -12.904 -5.809 865 2HG2 VAL 104 2HG2 VAL 104 -5.301 -12.597 -4.194 866 3HG2 VAL 104 3HG2 VAL 104 -6.242 -14.056 -4.506 867 H CYS 105 H CYS 105 -3.742 -15.237 -1.558 868 HA CYS 105 HA CYS 105 -5.938 -17.157 -1.736 869 1HB CYS 105 1HB CYS 105 -4.342 -16.217 0.667 870 2HB CYS 105 2HB CYS 105 -5.508 -17.539 0.654 871 HG CYS 105 HG CYS 105 -3.980 -19.086 -1.162 872 H ASN 106 H ASN 106 -5.323 -13.859 -1.133 873 HA ASN 106 HA ASN 106 -7.581 -13.400 0.596 874 1HB ASN 106 1HB ASN 106 -5.656 -11.497 -0.752 875 2HB ASN 106 2HB ASN 106 -6.956 -10.977 0.318 876 1HD2 ASN 106 2HD2 ASN 106 -4.124 -10.603 0.685 877 2HD2 ASN 106 1HD2 ASN 106 -3.706 -11.408 2.158 878 H THR 107 H THR 107 -7.814 -14.387 -2.328 879 HA THR 107 HA THR 107 -9.236 -12.460 -3.792 880 HB THR 107 HB THR 107 -8.458 -14.494 -4.878 881 HG1 THR 107 HG1 THR 107 -10.326 -14.916 -6.067 882 1HG2 THR 107 1HG2 THR 107 -10.479 -15.964 -3.171 883 2HG2 THR 107 2HG2 THR 107 -8.724 -16.073 -3.028 884 3HG2 THR 107 3HG2 THR 107 -9.527 -16.671 -4.480 885 H ARG 108 H ARG 108 -10.261 -14.765 -1.321 886 HA ARG 108 HA ARG 108 -12.996 -13.748 -1.463 887 1HB ARG 108 1HB ARG 108 -11.795 -16.110 -0.017 888 2HB ARG 108 2HB ARG 108 -13.444 -15.566 0.270 889 1HG ARG 108 1HG ARG 108 -12.334 -16.442 -2.397 890 2HG ARG 108 2HG ARG 108 -13.349 -17.419 -1.331 891 1HD ARG 108 1HD ARG 108 -15.201 -15.934 -1.603 892 2HD ARG 108 2HD ARG 108 -14.203 -14.742 -2.435 893 HE ARG 108 HE ARG 108 -14.071 -17.077 -3.925 894 1HH1 ARG 108 1HH1 ARG 108 -16.559 -14.816 -2.923 895 2HH1 ARG 108 2HH1 ARG 108 -17.495 -15.015 -4.370 896 1HH2 ARG 108 1HH2 ARG 108 -15.302 -17.351 -5.804 897 2HH2 ARG 108 2HH2 ARG 108 -16.792 -16.486 -6.002 898 HA PRO 109 HA PRO 109 -11.356 -12.747 3.232 899 1HB PRO 109 1HB PRO 109 -8.707 -12.082 1.961 900 2HB PRO 109 2HB PRO 109 -9.070 -12.448 3.655 901 1HG PRO 109 1HG PRO 109 -8.085 -14.348 2.110 902 2HG PRO 109 2HG PRO 109 -9.417 -14.723 3.222 903 1HD PRO 109 1HD PRO 109 -9.460 -14.407 0.257 904 2HD PRO 109 2HD PRO 109 -10.468 -15.431 1.299 905 H PHE 110 H PHE 110 -10.459 -11.276 0.144 906 HA PHE 110 HA PHE 110 -10.655 -8.566 0.719 907 1HB PHE 110 1HB PHE 110 -10.049 -9.713 -1.487 908 2HB PHE 110 2HB PHE 110 -11.767 -9.922 -1.763 909 HD1 PHE 110 HD1 PHE 110 -12.973 -7.380 -1.128 910 HD2 PHE 110 HD2 PHE 110 -9.195 -8.174 -2.948 911 HE1 PHE 110 HE1 PHE 110 -13.052 -5.194 -2.247 912 HE2 PHE 110 HE2 PHE 110 -9.274 -5.980 -4.056 913 HZ PHE 110 HZ PHE 110 -11.200 -4.487 -3.708 914 H ASP 111 H ASP 111 -13.220 -10.560 -0.676 915 HA ASP 111 HA ASP 111 -15.391 -8.876 -0.229 916 1HB ASP 111 1HB ASP 111 -15.424 -10.821 -1.746 917 2HB ASP 111 2HB ASP 111 -15.306 -11.908 -0.369 918 H ASN 112 H ASN 112 -14.019 -11.442 1.735 919 HA ASN 112 HA ASN 112 -15.865 -11.633 3.774 920 1HB ASN 112 1HB ASN 112 -14.091 -13.229 3.654 921 2HB ASN 112 2HB ASN 112 -12.863 -11.977 3.777 922 1HD2 ASN 112 2HD2 ASN 112 -12.332 -11.143 5.767 923 2HD2 ASN 112 1HD2 ASN 112 -12.871 -11.846 7.252 924 H GLU 113 H GLU 113 -12.969 -9.506 3.683 925 HA GLU 113 HA GLU 113 -13.523 -8.317 6.184 926 1HB GLU 113 1HB GLU 113 -11.280 -8.203 5.117 927 2HB GLU 113 2HB GLU 113 -11.936 -7.101 3.906 928 1HG GLU 113 1HG GLU 113 -12.533 -5.521 5.718 929 2HG GLU 113 2HG GLU 113 -11.779 -6.606 6.880 930 H GLU 114 H GLU 114 -14.388 -7.447 2.865 931 HA GLU 114 HA GLU 114 -15.521 -4.940 3.420 932 1HB GLU 114 1HB GLU 114 -15.098 -5.841 1.120 933 2HB GLU 114 2HB GLU 114 -16.493 -6.897 1.321 934 1HG GLU 114 1HG GLU 114 -17.896 -4.860 1.675 935 2HG GLU 114 2HG GLU 114 -16.486 -3.881 1.277 936 H LYS 115 H LYS 115 -16.838 -8.193 3.738 937 HA LYS 115 HA LYS 115 -19.464 -7.156 4.518 938 1HB LYS 115 1HB LYS 115 -18.620 -10.054 4.507 939 2HB LYS 115 2HB LYS 115 -20.247 -9.400 4.415 940 1HG LYS 115 1HG LYS 115 -18.135 -9.352 2.272 941 2HG LYS 115 2HG LYS 115 -19.638 -10.269 2.274 942 1HD LYS 115 1HD LYS 115 -20.908 -8.165 2.200 943 2HD LYS 115 2HD LYS 115 -19.394 -7.257 2.187 944 1HE LYS 115 1HE LYS 115 -18.769 -8.378 0.079 945 2HE LYS 115 2HE LYS 115 -20.318 -9.220 0.083 946 1HZ LYS 115 1HZ LYS 115 -21.410 -7.032 0.007 947 2HZ LYS 115 2HZ LYS 115 -20.433 -7.320 -1.345 948 3HZ LYS 115 3HZ LYS 115 -19.893 -6.293 -0.119 949 H ASP 116 H ASP 116 -16.583 -7.651 6.005 950 HA ASP 116 HA ASP 116 -15.826 -7.873 8.125 951 1HB ASP 116 1HB ASP 116 -17.575 -6.510 9.032 952 2HB ASP 116 2HB ASP 116 -18.769 -7.789 8.830 953 H LYS 117 H LYS 117 -18.754 -9.817 7.906 954 HA LYS 117 HA LYS 117 -17.820 -12.228 7.137 955 1HB LYS 117 1HB LYS 117 -17.325 -11.865 10.063 956 2HB LYS 117 2HB LYS 117 -18.036 -13.397 9.573 957 1HG LYS 117 1HG LYS 117 -16.144 -13.706 7.985 958 2HG LYS 117 2HG LYS 117 -15.415 -12.236 8.628 959 1HD LYS 117 1HD LYS 117 -15.543 -13.373 10.915 960 2HD LYS 117 2HD LYS 117 -15.883 -14.861 10.026 961 1HE LYS 117 1HE LYS 117 -13.421 -13.126 9.802 962 2HE LYS 117 2HE LYS 117 -13.519 -14.744 10.495 963 1HZ LYS 117 1HZ LYS 117 -14.123 -14.141 7.651 964 2HZ LYS 117 2HZ LYS 117 -13.934 -15.666 8.359 965 3HZ LYS 117 3HZ LYS 117 -12.602 -14.636 8.203 Start of MODEL 15 1 1H SER 1 1H SER 1 4.331 15.890 -5.827 2 2H SER 1 2H SER 1 5.789 16.749 -5.855 3 3H SER 1 3H SER 1 4.390 17.480 -5.257 4 HA SER 1 HA SER 1 5.849 16.826 -3.465 5 1HB SER 1 1HB SER 1 3.391 15.051 -3.547 6 2HB SER 1 2HB SER 1 4.176 15.727 -2.118 7 HG SER 1 HG SER 1 3.573 17.820 -2.897 8 H MET 2 H MET 2 6.234 14.940 -6.007 9 HA MET 2 HA MET 2 6.515 12.326 -4.867 10 1HB MET 2 1HB MET 2 7.449 13.458 -7.516 11 2HB MET 2 2HB MET 2 7.572 11.763 -7.066 12 1HG MET 2 1HG MET 2 5.017 13.337 -7.354 13 2HG MET 2 2HG MET 2 5.653 12.161 -8.504 14 1HE MET 2 1HE MET 2 2.684 12.016 -7.387 15 2HE MET 2 2HE MET 2 2.541 10.293 -7.041 16 3HE MET 2 3HE MET 2 3.360 10.833 -8.507 17 H ASN 3 H ASN 3 8.413 15.072 -4.648 18 HA ASN 3 HA ASN 3 11.029 14.295 -4.976 19 1HB ASN 3 1HB ASN 3 10.381 16.584 -4.378 20 2HB ASN 3 2HB ASN 3 9.910 16.047 -2.769 21 1HD2 ASN 3 2HD2 ASN 3 11.510 15.555 -1.253 22 2HD2 ASN 3 1HD2 ASN 3 13.164 16.007 -1.482 23 H GLU 4 H GLU 4 9.094 13.941 -2.026 24 HA GLU 4 HA GLU 4 11.038 12.744 -0.416 25 1HB GLU 4 1HB GLU 4 8.044 12.282 -0.311 26 2HB GLU 4 2HB GLU 4 9.184 12.010 0.999 27 1HG GLU 4 1HG GLU 4 8.461 14.668 -0.226 28 2HG GLU 4 2HG GLU 4 7.963 14.067 1.354 29 H LEU 5 H LEU 5 9.139 11.460 -2.985 30 HA LEU 5 HA LEU 5 9.657 8.682 -2.274 31 1HB LEU 5 1HB LEU 5 7.469 9.557 -3.280 32 2HB LEU 5 2HB LEU 5 8.349 9.736 -4.786 33 HG LEU 5 HG LEU 5 8.872 7.273 -4.666 34 1HD1 LEU 5 1HD1 LEU 5 7.455 5.883 -3.234 35 2HD1 LEU 5 2HD1 LEU 5 6.809 7.334 -2.467 36 3HD1 LEU 5 3HD1 LEU 5 8.517 6.928 -2.292 37 1HD2 LEU 5 1HD2 LEU 5 6.715 6.575 -5.511 38 2HD2 LEU 5 2HD2 LEU 5 7.108 8.185 -6.114 39 3HD2 LEU 5 3HD2 LEU 5 5.946 7.996 -4.800 40 H GLU 6 H GLU 6 10.645 11.139 -4.564 41 HA GLU 6 HA GLU 6 12.267 9.378 -6.170 42 1HB GLU 6 1HB GLU 6 11.056 11.360 -7.099 43 2HB GLU 6 2HB GLU 6 12.114 12.408 -6.169 44 1HG GLU 6 1HG GLU 6 12.853 12.326 -8.455 45 2HG GLU 6 2HG GLU 6 14.047 11.544 -7.421 46 H ALA 7 H ALA 7 12.629 10.762 -3.176 47 HA ALA 7 HA ALA 7 15.226 11.457 -2.812 48 1HB ALA 7 1HB ALA 7 13.756 9.392 -1.160 49 2HB ALA 7 2HB ALA 7 13.630 11.142 -0.971 50 3HB ALA 7 3HB ALA 7 15.160 10.329 -0.643 51 H GLN 8 H GLN 8 14.016 8.228 -3.578 52 HA GLN 8 HA GLN 8 16.776 7.331 -4.122 53 1HB GLN 8 1HB GLN 8 14.237 5.665 -4.137 54 2HB GLN 8 2HB GLN 8 15.894 5.077 -4.157 55 1HG GLN 8 1HG GLN 8 14.520 6.488 -1.875 56 2HG GLN 8 2HG GLN 8 14.920 4.774 -1.963 57 1HE2 GLN 8 2HE2 GLN 8 15.723 6.877 -0.046 58 2HE2 GLN 8 1HE2 GLN 8 17.452 6.869 -0.044 59 H THR 9 H THR 9 17.289 6.652 -6.305 60 HA THR 9 HA THR 9 15.383 7.798 -8.246 61 HB THR 9 HB THR 9 18.356 8.356 -8.138 62 HG1 THR 9 HG1 THR 9 16.028 9.852 -7.454 63 1HG2 THR 9 1HG2 THR 9 17.525 8.325 -10.449 64 2HG2 THR 9 2HG2 THR 9 17.897 9.972 -9.941 65 3HG2 THR 9 3HG2 THR 9 16.222 9.426 -10.004 66 H ARG 10 H ARG 10 15.402 7.100 -10.299 67 HA ARG 10 HA ARG 10 15.599 5.764 -12.107 68 1HB ARG 10 1HB ARG 10 18.085 6.387 -11.657 69 2HB ARG 10 2HB ARG 10 18.244 4.749 -11.049 70 1HG ARG 10 1HG ARG 10 17.062 5.112 -13.757 71 2HG ARG 10 2HG ARG 10 18.789 5.401 -13.566 72 1HD ARG 10 1HD ARG 10 19.153 3.172 -12.792 73 2HD ARG 10 2HD ARG 10 17.422 2.868 -12.662 74 HE ARG 10 HE ARG 10 18.694 3.400 -15.269 75 1HH1 ARG 10 1HH1 ARG 10 16.740 1.393 -13.176 76 2HH1 ARG 10 2HH1 ARG 10 16.266 0.305 -14.442 77 1HH2 ARG 10 1HH2 ARG 10 18.069 1.969 -16.947 78 2HH2 ARG 10 2HH2 ARG 10 17.030 0.631 -16.586 79 H VAL 11 H VAL 11 15.234 4.654 -9.068 80 HA VAL 11 HA VAL 11 14.426 2.011 -10.080 81 HB VAL 11 HB VAL 11 15.882 1.906 -8.086 82 1HG1 VAL 11 1HG1 VAL 11 15.132 2.767 -5.919 83 2HG1 VAL 11 2HG1 VAL 11 13.718 3.487 -6.691 84 3HG1 VAL 11 3HG1 VAL 11 15.333 4.069 -7.092 85 1HG2 VAL 11 1HG2 VAL 11 14.451 0.490 -6.679 86 2HG2 VAL 11 2HG2 VAL 11 14.199 0.164 -8.395 87 3HG2 VAL 11 3HG2 VAL 11 13.022 1.123 -7.497 88 H LYS 12 H LYS 12 13.453 5.039 -8.777 89 HA LYS 12 HA LYS 12 10.733 4.218 -8.225 90 1HB LYS 12 1HB LYS 12 12.199 5.956 -6.922 91 2HB LYS 12 2HB LYS 12 11.702 7.068 -8.189 92 1HG LYS 12 1HG LYS 12 10.211 7.358 -6.361 93 2HG LYS 12 2HG LYS 12 9.322 6.516 -7.634 94 1HD LYS 12 1HD LYS 12 8.789 5.451 -5.553 95 2HD LYS 12 2HD LYS 12 9.835 4.357 -6.457 96 1HE LYS 12 1HE LYS 12 11.751 5.042 -5.120 97 2HE LYS 12 2HE LYS 12 10.762 6.222 -4.264 98 1HZ LYS 12 1HZ LYS 12 9.392 4.334 -3.458 99 2HZ LYS 12 2HZ LYS 12 10.989 4.290 -2.909 100 3HZ LYS 12 3HZ LYS 12 10.504 3.270 -4.159 101 H LEU 13 H LEU 13 12.539 5.576 -10.819 102 HA LEU 13 HA LEU 13 10.518 6.995 -12.176 103 1HB LEU 13 1HB LEU 13 13.076 5.693 -13.083 104 2HB LEU 13 2HB LEU 13 11.976 6.403 -14.248 105 HG LEU 13 HG LEU 13 12.210 8.594 -13.136 106 1HD1 LEU 13 1HD1 LEU 13 13.967 8.932 -11.457 107 2HD1 LEU 13 2HD1 LEU 13 14.227 7.188 -11.389 108 3HD1 LEU 13 3HD1 LEU 13 12.686 7.871 -10.872 109 1HD2 LEU 13 1HD2 LEU 13 14.517 9.044 -13.843 110 2HD2 LEU 13 2HD2 LEU 13 13.654 8.050 -15.017 111 3HD2 LEU 13 3HD2 LEU 13 14.826 7.308 -13.925 112 H ASN 14 H ASN 14 11.805 3.726 -12.887 113 HA ASN 14 HA ASN 14 9.834 2.984 -14.738 114 1HB ASN 14 1HB ASN 14 11.366 1.223 -12.800 115 2HB ASN 14 2HB ASN 14 10.424 0.622 -14.159 116 1HD2 ASN 14 2HD2 ASN 14 11.166 0.990 -16.265 117 2HD2 ASN 14 1HD2 ASN 14 12.809 1.431 -16.586 118 H TYR 15 H TYR 15 9.935 2.688 -11.255 119 HA TYR 15 HA TYR 15 7.595 1.320 -10.717 120 1HB TYR 15 1HB TYR 15 9.101 1.785 -8.949 121 2HB TYR 15 2HB TYR 15 9.058 3.513 -9.256 122 HD1 TYR 15 HD1 TYR 15 6.911 0.683 -8.084 123 HD2 TYR 15 HD2 TYR 15 7.641 4.879 -8.020 124 HE1 TYR 15 HE1 TYR 15 5.228 0.947 -6.310 125 HE2 TYR 15 HE2 TYR 15 5.960 5.147 -6.258 126 HH TYR 15 HH TYR 15 3.998 3.988 -5.403 127 H LEU 16 H LEU 16 8.019 4.860 -10.834 128 HA LEU 16 HA LEU 16 5.374 5.560 -10.356 129 1HB LEU 16 1HB LEU 16 7.493 7.021 -10.400 130 2HB LEU 16 2HB LEU 16 7.239 7.145 -12.128 131 HG LEU 16 HG LEU 16 5.170 8.024 -10.097 132 1HD1 LEU 16 1HD1 LEU 16 5.956 10.309 -10.472 133 2HD1 LEU 16 2HD1 LEU 16 7.272 9.699 -11.476 134 3HD1 LEU 16 3HD1 LEU 16 7.218 9.307 -9.757 135 1HD2 LEU 16 1HD2 LEU 16 5.514 8.636 -13.041 136 2HD2 LEU 16 2HD2 LEU 16 4.291 9.345 -11.984 137 3HD2 LEU 16 3HD2 LEU 16 4.266 7.615 -12.322 138 H ASP 17 H ASP 17 7.077 5.100 -13.433 139 HA ASP 17 HA ASP 17 5.030 5.758 -15.187 140 1HB ASP 17 1HB ASP 17 7.305 5.377 -15.951 141 2HB ASP 17 2HB ASP 17 7.214 3.681 -15.490 142 H GLN 18 H GLN 18 5.885 2.486 -14.044 143 HA GLN 18 HA GLN 18 3.716 1.179 -15.304 144 1HB GLN 18 1HB GLN 18 5.735 -0.012 -14.628 145 2HB GLN 18 2HB GLN 18 5.412 0.344 -12.936 146 1HG GLN 18 1HG GLN 18 3.281 -0.975 -13.177 147 2HG GLN 18 2HG GLN 18 3.858 -1.472 -14.767 148 1HE2 GLN 18 2HE2 GLN 18 5.934 -0.997 -11.977 149 2HE2 GLN 18 1HE2 GLN 18 6.359 -2.659 -11.777 150 H ILE 19 H ILE 19 4.235 1.972 -11.878 151 HA ILE 19 HA ILE 19 1.864 0.882 -10.889 152 HB ILE 19 HB ILE 19 3.970 1.664 -9.603 153 1HG1 ILE 19 1HG1 ILE 19 2.570 2.196 -7.525 154 2HG1 ILE 19 2HG1 ILE 19 1.158 2.081 -8.573 155 1HG2 ILE 19 1HG2 ILE 19 2.437 4.263 -9.547 156 2HG2 ILE 19 2HG2 ILE 19 3.981 3.983 -10.353 157 3HG2 ILE 19 3HG2 ILE 19 3.874 3.883 -8.595 158 1HD1 ILE 19 1HD1 ILE 19 3.165 -0.103 -8.052 159 2HD1 ILE 19 2HD1 ILE 19 1.761 -0.226 -9.114 160 3HD1 ILE 19 3HD1 ILE 19 1.538 0.008 -7.380 161 H ALA 20 H ALA 20 2.571 4.100 -12.160 162 HA ALA 20 HA ALA 20 0.043 5.216 -11.431 163 1HB ALA 20 1HB ALA 20 0.653 7.080 -12.893 164 2HB ALA 20 2HB ALA 20 2.019 6.152 -13.516 165 3HB ALA 20 3HB ALA 20 1.988 6.647 -11.824 166 H LYS 21 H LYS 21 1.418 4.022 -14.500 167 HA LYS 21 HA LYS 21 -0.745 4.634 -16.122 168 1HB LYS 21 1HB LYS 21 1.454 3.958 -16.988 169 2HB LYS 21 2HB LYS 21 1.203 2.328 -16.385 170 1HG LYS 21 1HG LYS 21 0.803 2.259 -18.713 171 2HG LYS 21 2HG LYS 21 -0.778 2.163 -17.934 172 1HD LYS 21 1HD LYS 21 -1.150 4.542 -18.372 173 2HD LYS 21 2HD LYS 21 0.453 4.671 -19.101 174 1HE LYS 21 1HE LYS 21 -0.254 2.978 -20.795 175 2HE LYS 21 2HE LYS 21 -1.881 3.043 -20.117 176 1HZ LYS 21 1HZ LYS 21 -1.660 4.462 -22.060 177 2HZ LYS 21 2HZ LYS 21 -0.420 5.333 -21.316 178 3HZ LYS 21 3HZ LYS 21 -1.986 5.389 -20.683 179 H PHE 22 H PHE 22 -0.218 1.697 -14.191 180 HA PHE 22 HA PHE 22 -2.411 0.251 -15.187 181 1HB PHE 22 1HB PHE 22 -0.798 -0.888 -13.805 182 2HB PHE 22 2HB PHE 22 -1.106 0.195 -12.453 183 HD1 PHE 22 HD1 PHE 22 -2.777 -2.382 -14.584 184 HD2 PHE 22 HD2 PHE 22 -2.661 -0.391 -10.819 185 HE1 PHE 22 HE1 PHE 22 -4.492 -3.916 -13.719 186 HE2 PHE 22 HE2 PHE 22 -4.373 -1.924 -9.949 187 HZ PHE 22 HZ PHE 22 -5.294 -3.693 -11.400 188 H TRP 23 H TRP 23 -2.266 2.171 -12.183 189 HA TRP 23 HA TRP 23 -5.080 1.797 -11.754 190 1HB TRP 23 1HB TRP 23 -3.467 1.737 -9.897 191 2HB TRP 23 2HB TRP 23 -3.057 3.422 -10.196 192 HD1 TRP 23 HD1 TRP 23 -4.114 4.887 -8.403 193 HE1 TRP 23 HE1 TRP 23 -6.339 4.952 -7.138 194 HE3 TRP 23 HE3 TRP 23 -6.312 0.739 -10.416 195 HZ2 TRP 23 HZ2 TRP 23 -8.718 3.444 -6.990 196 HZ3 TRP 23 HZ3 TRP 23 -8.570 0.128 -9.669 197 HH2 TRP 23 HH2 TRP 23 -9.748 1.448 -7.984 198 H GLU 24 H GLU 24 -3.157 4.226 -13.280 199 HA GLU 24 HA GLU 24 -4.947 6.422 -12.720 200 1HB GLU 24 1HB GLU 24 -2.477 6.664 -13.188 201 2HB GLU 24 2HB GLU 24 -2.792 6.209 -14.852 202 1HG GLU 24 1HG GLU 24 -2.577 8.570 -14.771 203 2HG GLU 24 2HG GLU 24 -4.276 8.202 -15.050 204 H ILE 25 H ILE 25 -4.780 3.824 -14.937 205 HA ILE 25 HA ILE 25 -6.664 5.091 -16.804 206 HB ILE 25 HB ILE 25 -5.071 2.534 -17.125 207 1HG1 ILE 25 1HG1 ILE 25 -3.616 4.497 -17.137 208 2HG1 ILE 25 2HG1 ILE 25 -3.738 3.836 -18.763 209 1HG2 ILE 25 1HG2 ILE 25 -7.146 2.453 -18.401 210 2HG2 ILE 25 2HG2 ILE 25 -5.766 2.624 -19.483 211 3HG2 ILE 25 3HG2 ILE 25 -6.783 4.019 -19.126 212 1HD1 ILE 25 1HD1 ILE 25 -5.205 6.251 -17.720 213 2HD1 ILE 25 2HD1 ILE 25 -5.336 5.589 -19.351 214 3HD1 ILE 25 3HD1 ILE 25 -3.804 6.258 -18.789 215 H GLN 26 H GLN 26 -6.504 2.771 -14.260 216 HA GLN 26 HA GLN 26 -8.747 1.177 -15.102 217 1HB GLN 26 1HB GLN 26 -7.291 1.401 -12.465 218 2HB GLN 26 2HB GLN 26 -8.651 0.316 -12.716 219 1HG GLN 26 1HG GLN 26 -6.037 0.248 -14.216 220 2HG GLN 26 2HG GLN 26 -6.523 -0.851 -12.927 221 1HE2 GLN 26 2HE2 GLN 26 -8.080 -2.427 -13.349 222 2HE2 GLN 26 1HE2 GLN 26 -8.536 -2.852 -14.961 223 H GLY 27 H GLY 27 -9.737 3.588 -15.421 224 1HA GLY 27 1HA GLY 27 -11.469 5.000 -14.906 225 2HA GLY 27 2HA GLY 27 -12.119 3.640 -14.005 226 H SER 28 H SER 28 -9.071 5.136 -13.244 227 HA SER 28 HA SER 28 -10.157 6.585 -10.975 228 1HB SER 28 1HB SER 28 -8.217 4.270 -10.641 229 2HB SER 28 2HB SER 28 -8.743 5.360 -9.357 230 HG SER 28 HG SER 28 -10.316 3.513 -10.834 231 H SER 29 H SER 29 -7.915 7.179 -9.612 232 HA SER 29 HA SER 29 -5.842 8.006 -11.504 233 1HB SER 29 1HB SER 29 -5.899 10.326 -10.491 234 2HB SER 29 2HB SER 29 -7.298 9.927 -11.485 235 HG SER 29 HG SER 29 -7.390 9.428 -8.720 236 H LEU 30 H LEU 30 -3.839 7.754 -10.639 237 HA LEU 30 HA LEU 30 -3.716 6.882 -7.849 238 1HB LEU 30 1HB LEU 30 -2.708 5.417 -9.533 239 2HB LEU 30 2HB LEU 30 -1.634 6.712 -10.033 240 HG LEU 30 HG LEU 30 -0.582 6.695 -7.788 241 1HD1 LEU 30 1HD1 LEU 30 -2.365 4.312 -7.283 242 2HD1 LEU 30 2HD1 LEU 30 -2.473 5.885 -6.490 243 3HD1 LEU 30 3HD1 LEU 30 -1.058 4.867 -6.235 244 1HD2 LEU 30 1HD2 LEU 30 0.404 5.374 -9.585 245 2HD2 LEU 30 2HD2 LEU 30 -0.614 4.001 -9.150 246 3HD2 LEU 30 3HD2 LEU 30 0.617 4.579 -8.027 247 H LYS 31 H LYS 31 -3.845 8.874 -6.801 248 HA LYS 31 HA LYS 31 -1.290 10.350 -6.840 249 1HB LYS 31 1HB LYS 31 -4.097 11.347 -6.390 250 2HB LYS 31 2HB LYS 31 -2.743 12.179 -5.640 251 1HG LYS 31 1HG LYS 31 -3.271 13.310 -7.672 252 2HG LYS 31 2HG LYS 31 -1.738 12.475 -7.900 253 1HD LYS 31 1HD LYS 31 -2.983 10.640 -9.055 254 2HD LYS 31 2HD LYS 31 -4.451 11.610 -8.920 255 1HE LYS 31 1HE LYS 31 -3.399 13.386 -10.242 256 2HE LYS 31 2HE LYS 31 -1.923 12.428 -10.363 257 1HZ LYS 31 1HZ LYS 31 -3.198 10.726 -11.551 258 2HZ LYS 31 2HZ LYS 31 -3.233 12.212 -12.358 259 3HZ LYS 31 3HZ LYS 31 -4.579 11.700 -11.475 260 H ILE 32 H ILE 32 -0.232 9.137 -5.353 261 HA ILE 32 HA ILE 32 -1.469 8.167 -2.968 262 HB ILE 32 HB ILE 32 0.890 7.521 -2.312 263 1HG1 ILE 32 1HG1 ILE 32 1.506 8.553 -5.101 264 2HG1 ILE 32 2HG1 ILE 32 2.113 9.227 -3.592 265 1HG2 ILE 32 1HG2 ILE 32 -0.633 5.959 -3.394 266 2HG2 ILE 32 2HG2 ILE 32 1.019 5.703 -3.954 267 3HG2 ILE 32 3HG2 ILE 32 -0.138 6.550 -4.981 268 1HD1 ILE 32 1HD1 ILE 32 3.343 7.159 -3.166 269 2HD1 ILE 32 2HD1 ILE 32 3.804 7.890 -4.703 270 3HD1 ILE 32 3HD1 ILE 32 2.736 6.487 -4.680 271 HA PRO 33 HA PRO 33 -0.976 12.020 -0.750 272 1HB PRO 33 1HB PRO 33 -2.044 10.536 1.558 273 2HB PRO 33 2HB PRO 33 -2.738 11.908 0.688 274 1HG PRO 33 1HG PRO 33 -3.790 9.432 0.510 275 2HG PRO 33 2HG PRO 33 -3.808 10.565 -0.857 276 1HD PRO 33 1HD PRO 33 -1.949 8.259 -0.330 277 2HD PRO 33 2HD PRO 33 -2.750 8.738 -1.844 278 H ASN 34 H ASN 34 -0.289 12.547 1.623 279 HA ASN 34 HA ASN 34 1.922 10.861 2.511 280 1HB ASN 34 1HB ASN 34 3.421 12.823 2.693 281 2HB ASN 34 2HB ASN 34 2.990 12.460 1.028 282 1HD2 ASN 34 2HD2 ASN 34 3.415 14.499 0.284 283 2HD2 ASN 34 1HD2 ASN 34 2.440 15.873 0.667 284 H VAL 35 H VAL 35 2.568 11.176 4.612 285 HA VAL 35 HA VAL 35 0.905 12.933 6.263 286 HB VAL 35 HB VAL 35 0.011 10.679 6.574 287 1HG1 VAL 35 1HG1 VAL 35 1.379 8.852 7.458 288 2HG1 VAL 35 2HG1 VAL 35 2.816 9.869 7.342 289 3HG1 VAL 35 3HG1 VAL 35 1.955 9.388 5.880 290 1HG2 VAL 35 1HG2 VAL 35 0.267 10.469 9.003 291 2HG2 VAL 35 2HG2 VAL 35 0.064 12.153 8.524 292 3HG2 VAL 35 3HG2 VAL 35 1.664 11.546 8.955 293 H GLU 36 H GLU 36 2.025 14.002 7.854 294 HA GLU 36 HA GLU 36 3.766 15.030 8.848 295 1HB GLU 36 1HB GLU 36 5.331 13.768 10.011 296 2HB GLU 36 2HB GLU 36 3.927 12.731 9.914 297 1HG GLU 36 1HG GLU 36 5.045 11.130 8.834 298 2HG GLU 36 2HG GLU 36 5.806 12.278 7.732 299 H ARG 37 H ARG 37 3.652 14.697 5.961 300 HA ARG 37 HA ARG 37 4.704 15.637 4.177 301 1HB ARG 37 1HB ARG 37 7.048 15.990 6.054 302 2HB ARG 37 2HB ARG 37 7.117 16.418 4.355 303 1HG ARG 37 1HG ARG 37 6.691 18.427 5.505 304 2HG ARG 37 2HG ARG 37 5.148 17.959 4.791 305 1HD ARG 37 1HD ARG 37 4.403 17.070 6.926 306 2HD ARG 37 2HD ARG 37 5.969 17.433 7.649 307 HE ARG 37 HE ARG 37 4.480 19.671 6.526 308 1HH1 ARG 37 1HH1 ARG 37 5.496 17.895 9.358 309 2HH1 ARG 37 2HH1 ARG 37 5.009 19.134 10.471 310 1HH2 ARG 37 1HH2 ARG 37 3.855 21.324 7.983 311 2HH2 ARG 37 2HH2 ARG 37 4.108 21.098 9.688 312 H ARG 38 H ARG 38 5.248 12.768 5.540 313 HA ARG 38 HA ARG 38 7.190 11.876 3.534 314 1HB ARG 38 1HB ARG 38 6.196 10.698 6.110 315 2HB ARG 38 2HB ARG 38 6.875 9.640 4.876 316 1HG ARG 38 1HG ARG 38 8.948 10.845 4.899 317 2HG ARG 38 2HG ARG 38 8.288 12.043 6.013 318 1HD ARG 38 1HD ARG 38 8.060 10.323 7.740 319 2HD ARG 38 2HD ARG 38 8.692 9.109 6.623 320 HE ARG 38 HE ARG 38 10.741 10.648 6.576 321 1HH1 ARG 38 1HH1 ARG 38 8.729 10.198 9.428 322 2HH1 ARG 38 2HH1 ARG 38 10.024 10.551 10.524 323 1HH2 ARG 38 1HH2 ARG 38 12.406 11.127 8.026 324 2HH2 ARG 38 2HH2 ARG 38 12.100 11.088 9.739 325 H ILE 39 H ILE 39 6.647 10.719 1.850 326 HA ILE 39 HA ILE 39 3.826 10.591 1.193 327 HB ILE 39 HB ILE 39 5.461 11.485 -0.422 328 1HG1 ILE 39 1HG1 ILE 39 4.153 8.933 -1.414 329 2HG1 ILE 39 2HG1 ILE 39 3.333 10.480 -1.223 330 1HG2 ILE 39 1HG2 ILE 39 7.015 9.999 -1.590 331 2HG2 ILE 39 2HG2 ILE 39 6.534 8.664 -0.541 332 3HG2 ILE 39 3HG2 ILE 39 7.362 10.067 0.138 333 1HD1 ILE 39 1HD1 ILE 39 4.813 11.467 -2.901 334 2HD1 ILE 39 2HD1 ILE 39 3.918 10.086 -3.538 335 3HD1 ILE 39 3HD1 ILE 39 5.618 9.909 -3.100 336 H LEU 40 H LEU 40 2.701 8.728 0.542 337 HA LEU 40 HA LEU 40 3.428 6.343 1.948 338 1HB LEU 40 1HB LEU 40 1.086 7.065 1.673 339 2HB LEU 40 2HB LEU 40 1.213 6.806 -0.058 340 HG LEU 40 HG LEU 40 1.542 4.397 0.314 341 1HD1 LEU 40 1HD1 LEU 40 2.646 4.485 2.484 342 2HD1 LEU 40 2HD1 LEU 40 1.235 3.430 2.543 343 3HD1 LEU 40 3HD1 LEU 40 1.153 5.050 3.237 344 1HD2 LEU 40 1HD2 LEU 40 -0.893 5.515 1.709 345 2HD2 LEU 40 2HD2 LEU 40 -0.722 3.869 1.097 346 3HD2 LEU 40 3HD2 LEU 40 -0.721 5.231 -0.023 347 H ASP 41 H ASP 41 5.304 5.504 1.140 348 HA ASP 41 HA ASP 41 5.721 4.987 -1.652 349 1HB ASP 41 1HB ASP 41 7.637 5.383 -0.199 350 2HB ASP 41 2HB ASP 41 7.208 4.000 0.802 351 H LEU 42 H LEU 42 4.379 3.600 -2.608 352 HA LEU 42 HA LEU 42 3.057 1.464 -1.321 353 1HB LEU 42 1HB LEU 42 2.601 2.786 -3.584 354 2HB LEU 42 2HB LEU 42 3.472 1.441 -4.283 355 HG LEU 42 HG LEU 42 0.992 1.108 -2.576 356 1HD1 LEU 42 1HD1 LEU 42 -0.229 0.768 -4.671 357 2HD1 LEU 42 2HD1 LEU 42 1.219 1.189 -5.587 358 3HD1 LEU 42 3HD1 LEU 42 0.438 2.398 -4.568 359 1HD2 LEU 42 1HD2 LEU 42 2.387 -0.888 -2.683 360 2HD2 LEU 42 2HD2 LEU 42 2.422 -0.793 -4.443 361 3HD2 LEU 42 3HD2 LEU 42 0.904 -1.122 -3.606 362 H TYR 43 H TYR 43 6.138 1.706 -2.950 363 HA TYR 43 HA TYR 43 6.803 -0.931 -3.461 364 1HB TYR 43 1HB TYR 43 8.325 1.496 -2.706 365 2HB TYR 43 2HB TYR 43 9.146 -0.018 -2.375 366 HD1 TYR 43 HD2 TYR 43 8.533 -1.709 -4.622 367 HD2 TYR 43 HD1 TYR 43 9.266 2.484 -4.563 368 HE1 TYR 43 HE2 TYR 43 9.362 -1.829 -6.933 369 HE2 TYR 43 HE1 TYR 43 10.100 2.379 -6.867 370 HH TYR 43 HH TYR 43 11.058 0.717 -8.419 371 H SER 44 H SER 44 7.677 0.776 -0.463 372 HA SER 44 HA SER 44 8.390 -1.539 0.952 373 1HB SER 44 1HB SER 44 9.145 0.743 1.568 374 2HB SER 44 2HB SER 44 7.501 1.144 2.064 375 HG SER 44 HG SER 44 7.660 -0.252 3.753 376 H LEU 45 H LEU 45 5.353 0.249 0.761 377 HA LEU 45 HA LEU 45 3.966 -1.044 2.812 378 1HB LEU 45 1HB LEU 45 3.120 0.970 1.743 379 2HB LEU 45 2HB LEU 45 2.937 0.123 0.218 380 HG LEU 45 HG LEU 45 1.173 -1.288 1.201 381 1HD1 LEU 45 1HD1 LEU 45 0.256 -0.769 3.410 382 2HD1 LEU 45 2HD1 LEU 45 1.545 0.408 3.672 383 3HD1 LEU 45 3HD1 LEU 45 1.932 -1.306 3.516 384 1HD2 LEU 45 1HD2 LEU 45 -0.550 0.441 1.401 385 2HD2 LEU 45 2HD2 LEU 45 0.548 0.777 0.063 386 3HD2 LEU 45 3HD2 LEU 45 0.702 1.673 1.575 387 H SER 46 H SER 46 4.341 -1.910 -0.607 388 HA SER 46 HA SER 46 2.441 -4.041 -0.490 389 1HB SER 46 1HB SER 46 3.300 -4.619 -2.757 390 2HB SER 46 2HB SER 46 2.856 -2.920 -2.613 391 HG SER 46 HG SER 46 4.944 -2.347 -2.644 392 H LYS 47 H LYS 47 5.998 -3.827 -0.473 393 HA LYS 47 HA LYS 47 6.450 -6.608 -0.425 394 1HB LYS 47 1HB LYS 47 8.691 -6.152 0.103 395 2HB LYS 47 2HB LYS 47 8.183 -4.724 -0.789 396 1HG LYS 47 1HG LYS 47 8.083 -3.404 1.148 397 2HG LYS 47 2HG LYS 47 8.101 -4.810 2.213 398 1HD LYS 47 1HD LYS 47 10.444 -5.265 1.176 399 2HD LYS 47 2HD LYS 47 10.367 -3.571 0.684 400 1HE LYS 47 1HE LYS 47 11.530 -3.819 2.822 401 2HE LYS 47 2HE LYS 47 10.038 -2.899 3.013 402 1HZ LYS 47 1HZ LYS 47 10.376 -5.788 3.660 403 2HZ LYS 47 2HZ LYS 47 8.960 -4.893 3.862 404 3HZ LYS 47 3HZ LYS 47 10.328 -4.525 4.783 405 H ILE 48 H ILE 48 5.761 -4.260 2.112 406 HA ILE 48 HA ILE 48 6.328 -5.983 4.302 407 HB ILE 48 HB ILE 48 4.703 -3.444 4.103 408 1HG1 ILE 48 1HG1 ILE 48 7.341 -4.093 5.460 409 2HG1 ILE 48 2HG1 ILE 48 7.165 -3.262 3.919 410 1HG2 ILE 48 1HG2 ILE 48 3.673 -4.783 5.856 411 2HG2 ILE 48 2HG2 ILE 48 4.567 -3.438 6.567 412 3HG2 ILE 48 3HG2 ILE 48 5.249 -5.067 6.597 413 1HD1 ILE 48 1HD1 ILE 48 7.633 -1.700 5.710 414 2HD1 ILE 48 2HD1 ILE 48 6.207 -2.251 6.589 415 3HD1 ILE 48 3HD1 ILE 48 6.024 -1.419 5.044 416 H VAL 49 H VAL 49 3.307 -5.191 2.572 417 HA VAL 49 HA VAL 49 1.588 -6.728 4.179 418 HB VAL 49 HB VAL 49 1.373 -6.140 1.205 419 1HG1 VAL 49 1HG1 VAL 49 -0.743 -7.144 3.123 420 2HG1 VAL 49 2HG1 VAL 49 -0.027 -8.053 1.791 421 3HG1 VAL 49 3HG1 VAL 49 -1.028 -6.640 1.455 422 1HG2 VAL 49 1HG2 VAL 49 0.117 -4.762 3.586 423 2HG2 VAL 49 2HG2 VAL 49 -0.159 -4.355 1.891 424 3HG2 VAL 49 3HG2 VAL 49 1.437 -4.130 2.605 425 H VAL 50 H VAL 50 3.425 -7.616 1.253 426 HA VAL 50 HA VAL 50 2.611 -10.344 1.205 427 HB VAL 50 HB VAL 50 5.110 -9.086 0.030 428 1HG1 VAL 50 1HG1 VAL 50 3.754 -11.708 -0.628 429 2HG1 VAL 50 2HG1 VAL 50 5.311 -11.512 0.177 430 3HG1 VAL 50 3HG1 VAL 50 5.117 -11.012 -1.503 431 1HG2 VAL 50 1HG2 VAL 50 3.072 -8.010 -0.793 432 2HG2 VAL 50 2HG2 VAL 50 2.407 -9.583 -1.235 433 3HG2 VAL 50 3HG2 VAL 50 3.834 -8.963 -2.065 434 H GLU 51 H GLU 51 5.182 -8.601 2.788 435 HA GLU 51 HA GLU 51 6.732 -10.806 3.678 436 1HB GLU 51 1HB GLU 51 7.436 -8.379 3.575 437 2HB GLU 51 2HB GLU 51 6.423 -8.082 4.978 438 1HG GLU 51 1HG GLU 51 7.806 -9.579 6.310 439 2HG GLU 51 2HG GLU 51 8.799 -9.939 4.895 440 H GLU 52 H GLU 52 4.024 -9.014 4.980 441 HA GLU 52 HA GLU 52 3.894 -10.382 7.486 442 1HB GLU 52 1HB GLU 52 1.977 -8.573 6.009 443 2HB GLU 52 2HB GLU 52 1.640 -9.212 7.604 444 1HG GLU 52 1HG GLU 52 3.995 -7.468 6.892 445 2HG GLU 52 2HG GLU 52 2.506 -6.909 7.652 446 H GLY 53 H GLY 53 2.427 -10.777 4.315 447 1HA GLY 53 1HA GLY 53 2.098 -13.074 3.613 448 2HA GLY 53 2HA GLY 53 1.497 -13.432 5.220 449 H GLY 54 H GLY 54 0.058 -10.580 4.654 450 1HA GLY 54 1HA GLY 54 -1.803 -10.917 2.649 451 2HA GLY 54 2HA GLY 54 -2.452 -11.806 4.018 452 H TYR 55 H TYR 55 -3.182 -9.258 2.516 453 HA TYR 55 HA TYR 55 -2.984 -7.004 4.101 454 1HB TYR 55 1HB TYR 55 -3.910 -6.866 1.886 455 2HB TYR 55 2HB TYR 55 -5.217 -7.966 2.297 456 HD1 TYR 55 HD2 TYR 55 -3.902 -4.843 3.885 457 HD2 TYR 55 HD1 TYR 55 -7.243 -6.853 2.190 458 HE1 TYR 55 HE2 TYR 55 -5.327 -2.918 4.433 459 HE2 TYR 55 HE1 TYR 55 -8.683 -4.926 2.730 460 HH TYR 55 HH TYR 55 -8.721 -3.036 4.286 461 H GLU 56 H GLU 56 -5.635 -9.410 4.177 462 HA GLU 56 HA GLU 56 -7.081 -8.267 6.253 463 1HB GLU 56 1HB GLU 56 -8.178 -9.988 5.085 464 2HB GLU 56 2HB GLU 56 -6.859 -11.127 5.342 465 1HG GLU 56 1HG GLU 56 -7.431 -11.459 7.599 466 2HG GLU 56 2HG GLU 56 -8.463 -10.034 7.635 467 H ALA 57 H ALA 57 -4.365 -10.537 6.442 468 HA ALA 57 HA ALA 57 -4.560 -11.158 9.156 469 1HB ALA 57 1HB ALA 57 -2.035 -10.924 7.506 470 2HB ALA 57 2HB ALA 57 -3.072 -12.348 7.603 471 3HB ALA 57 3HB ALA 57 -2.202 -11.793 9.033 472 H ILE 58 H ILE 58 -2.762 -8.550 7.556 473 HA ILE 58 HA ILE 58 -1.685 -7.423 9.932 474 HB ILE 58 HB ILE 58 -2.297 -5.915 7.385 475 1HG1 ILE 58 1HG1 ILE 58 0.182 -7.544 8.000 476 2HG1 ILE 58 2HG1 ILE 58 -1.091 -8.035 6.885 477 1HG2 ILE 58 1HG2 ILE 58 -1.601 -4.538 9.273 478 2HG2 ILE 58 2HG2 ILE 58 -0.356 -4.561 8.025 479 3HG2 ILE 58 3HG2 ILE 58 -0.160 -5.533 9.484 480 1HD1 ILE 58 1HD1 ILE 58 -0.607 -6.127 5.469 481 2HD1 ILE 58 2HD1 ILE 58 0.834 -7.110 5.729 482 3HD1 ILE 58 3HD1 ILE 58 0.637 -5.589 6.599 483 H CYS 59 H CYS 59 -4.575 -6.833 8.024 484 HA CYS 59 HA CYS 59 -5.388 -4.492 9.415 485 1HB CYS 59 1HB CYS 59 -6.032 -5.012 7.079 486 2HB CYS 59 2HB CYS 59 -7.020 -6.345 7.665 487 HG CYS 59 HG CYS 59 -8.914 -4.842 8.885 488 H LYS 60 H LYS 60 -5.932 -7.905 9.860 489 HA LYS 60 HA LYS 60 -8.201 -7.582 11.610 490 1HB LYS 60 1HB LYS 60 -7.816 -9.600 10.139 491 2HB LYS 60 2HB LYS 60 -6.475 -10.042 11.186 492 1HG LYS 60 1HG LYS 60 -8.338 -11.350 11.842 493 2HG LYS 60 2HG LYS 60 -8.098 -10.132 13.092 494 1HD LYS 60 1HD LYS 60 -10.424 -10.181 12.749 495 2HD LYS 60 2HD LYS 60 -9.879 -8.759 11.865 496 1HE LYS 60 1HE LYS 60 -10.364 -11.458 10.595 497 2HE LYS 60 2HE LYS 60 -11.565 -10.173 10.662 498 1HZ LYS 60 1HZ LYS 60 -8.923 -9.983 9.323 499 2HZ LYS 60 2HZ LYS 60 -10.095 -8.770 9.360 500 3HZ LYS 60 3HZ LYS 60 -10.403 -10.220 8.542 501 H ASP 61 H ASP 61 -4.741 -8.218 11.895 502 HA ASP 61 HA ASP 61 -4.858 -8.293 14.803 503 1HB ASP 61 1HB ASP 61 -3.308 -9.752 13.442 504 2HB ASP 61 2HB ASP 61 -2.404 -8.302 13.020 505 H ARG 62 H ARG 62 -4.707 -5.946 12.430 506 HA ARG 62 HA ARG 62 -4.542 -3.689 12.479 507 1HB ARG 62 1HB ARG 62 -5.818 -3.969 14.627 508 2HB ARG 62 2HB ARG 62 -4.286 -3.969 15.487 509 1HG ARG 62 1HG ARG 62 -5.382 -1.788 15.597 510 2HG ARG 62 2HG ARG 62 -3.841 -1.692 14.743 511 1HD ARG 62 1HD ARG 62 -5.041 -1.764 12.595 512 2HD ARG 62 2HD ARG 62 -6.575 -1.831 13.462 513 HE ARG 62 HE ARG 62 -5.000 0.438 14.206 514 1HH1 ARG 62 1HH1 ARG 62 -7.180 -0.789 11.758 515 2HH1 ARG 62 2HH1 ARG 62 -7.767 0.784 11.315 516 1HH2 ARG 62 1HH2 ARG 62 -5.735 2.504 13.605 517 2HH2 ARG 62 2HH2 ARG 62 -6.932 2.666 12.359 518 H ARG 63 H ARG 63 -2.207 -5.275 12.066 519 HA ARG 63 HA ARG 63 -0.033 -4.335 13.659 520 1HB ARG 63 1HB ARG 63 0.055 -5.670 10.947 521 2HB ARG 63 2HB ARG 63 1.421 -5.457 12.032 522 1HG ARG 63 1HG ARG 63 0.258 -6.867 13.705 523 2HG ARG 63 2HG ARG 63 -1.027 -7.143 12.529 524 1HD ARG 63 1HD ARG 63 0.630 -8.136 10.990 525 2HD ARG 63 2HD ARG 63 1.879 -7.909 12.215 526 HE ARG 63 HE ARG 63 -0.425 -9.737 12.435 527 1HH1 ARG 63 1HH1 ARG 63 2.788 -8.757 13.427 528 2HH1 ARG 63 2HH1 ARG 63 3.058 -10.170 14.391 529 1HH2 ARG 63 1HH2 ARG 63 -0.086 -11.580 13.698 530 2HH2 ARG 63 2HH2 ARG 63 1.401 -11.772 14.575 531 H TRP 64 H TRP 64 -1.759 -2.907 11.103 532 HA TRP 64 HA TRP 64 0.123 -1.477 9.667 533 1HB TRP 64 1HB TRP 64 -2.538 -0.389 10.630 534 2HB TRP 64 2HB TRP 64 -1.591 0.235 9.288 535 HD1 TRP 64 HD1 TRP 64 -4.532 -1.723 9.847 536 HE1 TRP 64 HE1 TRP 64 -5.094 -3.226 7.843 537 HE3 TRP 64 HE3 TRP 64 -0.031 -1.557 7.373 538 HZ2 TRP 64 HZ2 TRP 64 -3.822 -4.212 5.546 539 HZ3 TRP 64 HZ3 TRP 64 0.193 -2.808 5.275 540 HH2 TRP 64 HH2 TRP 64 -1.666 -4.113 4.380 541 H ALA 65 H ALA 65 -1.078 -0.935 12.905 542 HA ALA 65 HA ALA 65 -0.175 1.682 13.330 543 1HB ALA 65 1HB ALA 65 -0.485 -0.556 15.339 544 2HB ALA 65 2HB ALA 65 -1.757 0.545 14.813 545 3HB ALA 65 3HB ALA 65 -0.376 1.166 15.716 546 H ARG 66 H ARG 66 1.382 -1.413 14.194 547 HA ARG 66 HA ARG 66 3.741 -0.176 15.169 548 1HB ARG 66 1HB ARG 66 4.652 -2.392 15.396 549 2HB ARG 66 2HB ARG 66 2.969 -2.426 15.887 550 1HG ARG 66 1HG ARG 66 3.103 -4.365 14.674 551 2HG ARG 66 2HG ARG 66 2.572 -3.244 13.423 552 1HD ARG 66 1HD ARG 66 4.810 -3.038 12.573 553 2HD ARG 66 2HD ARG 66 5.462 -3.961 13.925 554 HE ARG 66 HE ARG 66 3.689 -5.130 11.865 555 1HH1 ARG 66 1HH1 ARG 66 6.427 -5.319 14.034 556 2HH1 ARG 66 2HH1 ARG 66 6.919 -6.891 13.485 557 1HH2 ARG 66 1HH2 ARG 66 4.337 -7.217 11.129 558 2HH2 ARG 66 2HH2 ARG 66 5.742 -7.959 11.828 559 H VAL 67 H VAL 67 2.731 -1.328 12.030 560 HA VAL 67 HA VAL 67 5.253 -1.231 10.740 561 HB VAL 67 HB VAL 67 2.471 -0.850 9.584 562 1HG1 VAL 67 1HG1 VAL 67 3.491 -1.363 7.403 563 2HG1 VAL 67 2HG1 VAL 67 5.086 -1.365 8.155 564 3HG1 VAL 67 3HG1 VAL 67 4.141 0.123 8.096 565 1HG2 VAL 67 1HG2 VAL 67 4.260 -3.289 9.661 566 2HG2 VAL 67 2HG2 VAL 67 2.684 -3.187 8.872 567 3HG2 VAL 67 3HG2 VAL 67 2.804 -3.041 10.625 568 H ALA 68 H ALA 68 2.642 1.132 11.132 569 HA ALA 68 HA ALA 68 3.727 3.245 9.677 570 1HB ALA 68 1HB ALA 68 2.253 4.694 10.974 571 2HB ALA 68 2HB ALA 68 2.014 3.413 12.164 572 3HB ALA 68 3HB ALA 68 1.417 3.209 10.518 573 H GLN 69 H GLN 69 4.030 2.494 13.147 574 HA GLN 69 HA GLN 69 5.792 4.619 13.745 575 1HB GLN 69 1HB GLN 69 5.531 1.948 15.153 576 2HB GLN 69 2HB GLN 69 6.296 3.388 15.812 577 1HG GLN 69 1HG GLN 69 3.379 3.024 15.151 578 2HG GLN 69 2HG GLN 69 4.098 3.144 16.754 579 1HE2 GLN 69 2HE2 GLN 69 5.911 5.307 15.993 580 2HE2 GLN 69 1HE2 GLN 69 4.937 6.723 15.816 581 H ARG 70 H ARG 70 6.327 1.357 12.549 582 HA ARG 70 HA ARG 70 9.132 1.266 12.829 583 1HB ARG 70 1HB ARG 70 7.715 -0.713 12.372 584 2HB ARG 70 2HB ARG 70 7.373 -0.099 10.765 585 1HG ARG 70 1HG ARG 70 10.206 -0.612 11.592 586 2HG ARG 70 2HG ARG 70 9.171 -1.954 11.109 587 1HD ARG 70 1HD ARG 70 8.750 -0.832 8.953 588 2HD ARG 70 2HD ARG 70 9.819 0.484 9.440 589 HE ARG 70 HE ARG 70 11.238 -1.921 9.658 590 1HH1 ARG 70 1HH1 ARG 70 9.836 0.102 7.167 591 2HH1 ARG 70 2HH1 ARG 70 10.968 -0.387 5.949 592 1HH2 ARG 70 1HH2 ARG 70 12.741 -2.550 8.067 593 2HH2 ARG 70 2HH2 ARG 70 12.624 -1.902 6.460 594 H LEU 71 H LEU 71 7.036 2.650 10.370 595 HA LEU 71 HA LEU 71 9.189 3.317 8.575 596 1HB LEU 71 1HB LEU 71 6.249 3.826 8.656 597 2HB LEU 71 2HB LEU 71 7.232 4.879 7.660 598 HG LEU 71 HG LEU 71 8.044 2.945 6.381 599 1HD1 LEU 71 1HD1 LEU 71 7.926 1.236 8.115 600 2HD1 LEU 71 2HD1 LEU 71 7.053 0.737 6.667 601 3HD1 LEU 71 3HD1 LEU 71 6.163 1.309 8.077 602 1HD2 LEU 71 1HD2 LEU 71 6.062 4.133 5.608 603 2HD2 LEU 71 2HD2 LEU 71 5.036 3.073 6.575 604 3HD2 LEU 71 3HD2 LEU 71 5.956 2.415 5.221 605 H ASN 72 H ASN 72 8.756 4.396 11.522 606 HA ASN 72 HA ASN 72 9.663 6.118 12.670 607 1HB ASN 72 1HB ASN 72 10.675 6.835 9.928 608 2HB ASN 72 2HB ASN 72 10.921 7.929 11.284 609 1HD2 ASN 72 2HD2 ASN 72 11.702 4.804 9.945 610 2HD2 ASN 72 1HD2 ASN 72 13.048 4.482 10.980 611 H TYR 73 H TYR 73 6.929 6.177 11.418 612 HA TYR 73 HA TYR 73 6.305 8.958 11.134 613 1HB TYR 73 1HB TYR 73 4.589 6.507 11.587 614 2HB TYR 73 2HB TYR 73 3.911 8.128 11.471 615 HD1 TYR 73 HD1 TYR 73 5.331 9.385 9.312 616 HD2 TYR 73 HD2 TYR 73 4.050 5.340 9.642 617 HE1 TYR 73 HE1 TYR 73 5.257 9.216 6.865 618 HE2 TYR 73 HE2 TYR 73 3.975 5.159 7.192 619 HH TYR 73 HH TYR 73 5.350 7.486 5.127 620 HA PRO 74 HA PRO 74 6.125 10.368 15.276 621 1HB PRO 74 1HB PRO 74 3.698 11.691 15.381 622 2HB PRO 74 2HB PRO 74 5.170 12.359 14.671 623 1HG PRO 74 1HG PRO 74 2.857 11.015 13.321 624 2HG PRO 74 2HG PRO 74 3.758 12.462 12.823 625 1HD PRO 74 1HD PRO 74 4.216 10.084 11.678 626 2HD PRO 74 2HD PRO 74 5.546 11.215 12.003 627 HA PRO 75 HA PRO 75 4.018 7.362 17.744 628 1HB PRO 75 1HB PRO 75 3.725 8.807 20.086 629 2HB PRO 75 2HB PRO 75 5.208 7.981 19.599 630 1HG PRO 75 1HG PRO 75 4.465 10.869 19.314 631 2HG PRO 75 2HG PRO 75 6.018 10.151 19.790 632 1HD PRO 75 1HD PRO 75 5.620 11.092 17.308 633 2HD PRO 75 2HD PRO 75 6.594 9.633 17.595 634 H GLY 76 H GLY 76 1.977 6.874 18.664 635 1HA GLY 76 1HA GLY 76 -0.245 7.753 19.354 636 2HA GLY 76 2HA GLY 76 -0.138 8.830 17.969 637 H LYS 77 H LYS 77 1.136 6.622 16.382 638 HA LYS 77 HA LYS 77 0.584 4.939 14.973 639 1HB LYS 77 1HB LYS 77 -1.322 4.179 17.200 640 2HB LYS 77 2HB LYS 77 -0.920 3.149 15.832 641 1HG LYS 77 1HG LYS 77 1.418 3.092 16.548 642 2HG LYS 77 2HG LYS 77 1.034 4.146 17.910 643 1HD LYS 77 1HD LYS 77 -0.182 1.414 17.455 644 2HD LYS 77 2HD LYS 77 1.185 1.733 18.521 645 1HE LYS 77 1HE LYS 77 -1.559 2.967 18.807 646 2HE LYS 77 2HE LYS 77 -0.972 1.582 19.727 647 1HZ LYS 77 1HZ LYS 77 0.756 2.963 20.667 648 2HZ LYS 77 2HZ LYS 77 -0.754 3.662 20.960 649 3HZ LYS 77 3HZ LYS 77 0.248 4.288 19.753 650 H ASN 78 H ASN 78 -1.114 7.516 15.171 651 HA ASN 78 HA ASN 78 -3.761 6.948 14.412 652 1HB ASN 78 1HB ASN 78 -2.072 9.382 13.759 653 2HB ASN 78 2HB ASN 78 -3.817 9.284 13.550 654 1HD2 ASN 78 2HD2 ASN 78 -2.331 11.128 15.155 655 2HD2 ASN 78 1HD2 ASN 78 -2.857 10.917 16.786 656 H ILE 79 H ILE 79 -0.806 7.103 12.579 657 HA ILE 79 HA ILE 79 -1.857 7.487 10.007 658 HB ILE 79 HB ILE 79 0.694 6.031 10.786 659 1HG1 ILE 79 1HG1 ILE 79 1.722 8.259 9.981 660 2HG1 ILE 79 2HG1 ILE 79 0.104 8.930 10.138 661 1HG2 ILE 79 1HG2 ILE 79 0.004 5.448 8.515 662 2HG2 ILE 79 2HG2 ILE 79 1.446 6.463 8.492 663 3HG2 ILE 79 3HG2 ILE 79 -0.129 7.159 8.103 664 1HD1 ILE 79 1HD1 ILE 79 1.716 7.689 12.358 665 2HD1 ILE 79 2HD1 ILE 79 0.116 8.414 12.515 666 3HD1 ILE 79 3HD1 ILE 79 1.500 9.416 12.071 667 H GLY 80 H GLY 80 -1.930 4.745 12.071 668 1HA GLY 80 1HA GLY 80 -1.967 2.597 10.301 669 2HA GLY 80 2HA GLY 80 -2.830 2.651 11.831 670 H SER 81 H SER 81 -4.743 4.529 11.451 671 HA SER 81 HA SER 81 -6.671 3.168 9.881 672 1HB SER 81 1HB SER 81 -6.794 5.973 11.032 673 2HB SER 81 2HB SER 81 -8.170 5.003 10.500 674 HG SER 81 HG SER 81 -7.693 4.985 12.822 675 H LEU 82 H LEU 82 -4.811 6.125 9.406 676 HA LEU 82 HA LEU 82 -5.881 7.025 7.001 677 1HB LEU 82 1HB LEU 82 -4.326 8.348 8.303 678 2HB LEU 82 2HB LEU 82 -3.059 7.162 8.095 679 HG LEU 82 HG LEU 82 -4.168 8.518 5.656 680 1HD1 LEU 82 1HD1 LEU 82 -2.566 10.348 5.918 681 2HD1 LEU 82 2HD1 LEU 82 -2.133 9.748 7.520 682 3HD1 LEU 82 3HD1 LEU 82 -3.761 10.354 7.214 683 1HD2 LEU 82 1HD2 LEU 82 -1.397 7.567 6.417 684 2HD2 LEU 82 2HD2 LEU 82 -1.864 8.256 4.861 685 3HD2 LEU 82 3HD2 LEU 82 -2.536 6.711 5.378 686 H LEU 83 H LEU 83 -3.349 4.660 7.631 687 HA LEU 83 HA LEU 83 -2.643 4.201 4.932 688 1HB LEU 83 1HB LEU 83 -1.126 3.692 6.760 689 2HB LEU 83 2HB LEU 83 -2.256 2.523 7.419 690 HG LEU 83 HG LEU 83 -1.925 1.071 5.476 691 1HD1 LEU 83 1HD1 LEU 83 -1.494 2.764 3.785 692 2HD1 LEU 83 2HD1 LEU 83 -0.193 1.577 3.818 693 3HD1 LEU 83 3HD1 LEU 83 0.045 3.164 4.550 694 1HD2 LEU 83 1HD2 LEU 83 0.682 1.947 6.736 695 2HD2 LEU 83 2HD2 LEU 83 0.387 0.407 5.929 696 3HD2 LEU 83 3HD2 LEU 83 -0.465 0.794 7.422 697 H ARG 84 H ARG 84 -4.710 2.385 7.206 698 HA ARG 84 HA ARG 84 -5.419 0.268 5.557 699 1HB ARG 84 1HB ARG 84 -6.001 0.460 7.981 700 2HB ARG 84 2HB ARG 84 -7.237 1.640 7.558 701 1HG ARG 84 1HG ARG 84 -8.284 -0.139 6.102 702 2HG ARG 84 2HG ARG 84 -7.152 -1.285 6.823 703 1HD ARG 84 1HD ARG 84 -8.059 -0.596 9.073 704 2HD ARG 84 2HD ARG 84 -9.307 0.308 8.216 705 HE ARG 84 HE ARG 84 -8.999 -2.610 8.282 706 1HH1 ARG 84 1HH1 ARG 84 -10.894 0.177 7.358 707 2HH1 ARG 84 2HH1 ARG 84 -12.333 -0.742 7.060 708 1HH2 ARG 84 1HH2 ARG 84 -10.891 -3.838 7.901 709 2HH2 ARG 84 2HH2 ARG 84 -12.329 -3.025 7.365 710 H SER 85 H SER 85 -7.124 3.362 5.992 711 HA SER 85 HA SER 85 -9.166 2.829 4.121 712 1HB SER 85 1HB SER 85 -9.524 5.335 4.213 713 2HB SER 85 2HB SER 85 -9.529 4.523 5.778 714 HG SER 85 HG SER 85 -7.698 5.475 6.307 715 H HIS 86 H HIS 86 -6.011 4.410 3.813 716 HA HIS 86 HA HIS 86 -6.273 5.184 1.103 717 1HB HIS 86 1HB HIS 86 -3.856 4.558 2.805 718 2HB HIS 86 2HB HIS 86 -3.709 5.044 1.122 719 HD1 HIS 86 HD1 HIS 86 -6.431 6.849 2.771 720 HD2 HIS 86 HD2 HIS 86 -2.312 7.272 2.386 721 HE1 HIS 86 HE1 HIS 86 -5.941 9.240 3.353 722 HE2 HIS 86 HE2 HIS 86 -3.432 9.432 3.264 723 H TYR 87 H TYR 87 -5.311 2.165 2.638 724 HA TYR 87 HA TYR 87 -4.330 0.861 0.340 725 1HB TYR 87 1HB TYR 87 -4.075 0.106 2.767 726 2HB TYR 87 2HB TYR 87 -5.724 -0.497 2.666 727 HD1 TYR 87 HD2 TYR 87 -6.185 -2.168 0.660 728 HD2 TYR 87 HD1 TYR 87 -2.316 -1.331 2.241 729 HE1 TYR 87 HE2 TYR 87 -5.349 -4.279 -0.275 730 HE2 TYR 87 HE1 TYR 87 -1.474 -3.442 1.300 731 HH TYR 87 HH TYR 87 -2.505 -5.710 0.605 732 H GLU 88 H GLU 88 -7.520 0.793 1.904 733 HA GLU 88 HA GLU 88 -8.856 -0.905 0.186 734 1HB GLU 88 1HB GLU 88 -9.948 1.513 1.645 735 2HB GLU 88 2HB GLU 88 -10.934 0.244 0.930 736 1HG GLU 88 1HG GLU 88 -9.969 -1.393 2.456 737 2HG GLU 88 2HG GLU 88 -8.933 -0.147 3.155 738 H ARG 89 H ARG 89 -8.147 2.513 -0.227 739 HA ARG 89 HA ARG 89 -9.879 2.762 -2.536 740 1HB ARG 89 1HB ARG 89 -8.023 4.665 -1.113 741 2HB ARG 89 2HB ARG 89 -8.823 5.100 -2.616 742 1HG ARG 89 1HG ARG 89 -10.436 4.106 -0.298 743 2HG ARG 89 2HG ARG 89 -9.880 5.777 -0.341 744 1HD ARG 89 1HD ARG 89 -12.163 5.507 -1.245 745 2HD ARG 89 2HD ARG 89 -11.034 6.160 -2.428 746 HE ARG 89 HE ARG 89 -10.964 3.914 -3.428 747 1HH1 ARG 89 1HH1 ARG 89 -13.669 4.688 -1.335 748 2HH1 ARG 89 2HH1 ARG 89 -14.723 3.525 -2.079 749 1HH2 ARG 89 1HH2 ARG 89 -12.363 2.414 -4.403 750 2HH2 ARG 89 2HH2 ARG 89 -13.986 2.238 -3.807 751 H ILE 90 H ILE 90 -6.424 2.415 -1.921 752 HA ILE 90 HA ILE 90 -5.895 2.846 -4.795 753 HB ILE 90 HB ILE 90 -4.037 3.144 -2.425 754 1HG1 ILE 90 1HG1 ILE 90 -5.678 4.971 -2.643 755 2HG1 ILE 90 2HG1 ILE 90 -4.046 5.534 -2.985 756 1HG2 ILE 90 1HG2 ILE 90 -2.388 4.001 -4.048 757 2HG2 ILE 90 2HG2 ILE 90 -3.478 3.564 -5.364 758 3HG2 ILE 90 3HG2 ILE 90 -2.793 2.308 -4.333 759 1HD1 ILE 90 1HD1 ILE 90 -5.678 6.479 -4.525 760 2HD1 ILE 90 2HD1 ILE 90 -6.133 4.859 -5.051 761 3HD1 ILE 90 3HD1 ILE 90 -4.509 5.468 -5.372 762 H VAL 91 H VAL 91 -4.751 0.855 -2.044 763 HA VAL 91 HA VAL 91 -3.199 -0.741 -3.932 764 HB VAL 91 HB VAL 91 -3.211 -0.992 -0.920 765 1HG1 VAL 91 1HG1 VAL 91 -1.160 -1.765 -3.003 766 2HG1 VAL 91 2HG1 VAL 91 -2.188 -2.868 -2.088 767 3HG1 VAL 91 3HG1 VAL 91 -0.956 -1.918 -1.257 768 1HG2 VAL 91 1HG2 VAL 91 -2.709 1.326 -1.485 769 2HG2 VAL 91 2HG2 VAL 91 -1.471 0.801 -2.628 770 3HG2 VAL 91 3HG2 VAL 91 -1.260 0.508 -0.902 771 H TYR 92 H TYR 92 -6.227 -0.941 -2.432 772 HA TYR 92 HA TYR 92 -6.335 -3.681 -1.785 773 1HB TYR 92 1HB TYR 92 -8.015 -1.670 -1.292 774 2HB TYR 92 2HB TYR 92 -8.824 -2.306 -2.718 775 HD1 TYR 92 HD2 TYR 92 -7.354 -5.107 -1.316 776 HD2 TYR 92 HD1 TYR 92 -10.502 -2.346 -0.545 777 HE1 TYR 92 HE2 TYR 92 -8.470 -6.775 0.101 778 HE2 TYR 92 HE1 TYR 92 -11.620 -4.004 0.875 779 HH TYR 92 HH TYR 92 -11.690 -6.372 1.224 780 HA PRO 93 HA PRO 93 -7.907 -4.277 -6.417 781 1HB PRO 93 1HB PRO 93 -6.420 -1.977 -7.598 782 2HB PRO 93 2HB PRO 93 -7.990 -2.651 -8.051 783 1HG PRO 93 1HG PRO 93 -7.834 -0.334 -6.747 784 2HG PRO 93 2HG PRO 93 -9.115 -1.504 -6.367 785 1HD PRO 93 1HD PRO 93 -6.584 -0.907 -4.874 786 2HD PRO 93 2HD PRO 93 -8.211 -1.241 -4.244 787 H TYR 94 H TYR 94 -4.856 -2.753 -5.507 788 HA TYR 94 HA TYR 94 -3.215 -4.271 -7.256 789 1HB TYR 94 1HB TYR 94 -2.724 -2.416 -4.975 790 2HB TYR 94 2HB TYR 94 -1.423 -3.518 -5.416 791 HD1 TYR 94 HD1 TYR 94 -0.492 -3.462 -7.722 792 HD2 TYR 94 HD2 TYR 94 -3.229 -0.505 -6.343 793 HE1 TYR 94 HE1 TYR 94 0.179 -1.992 -9.567 794 HE2 TYR 94 HE2 TYR 94 -2.557 0.979 -8.182 795 HH TYR 94 HH TYR 94 -0.667 1.304 -9.702 796 H GLU 95 H GLU 95 -4.492 -4.862 -4.038 797 HA GLU 95 HA GLU 95 -2.898 -7.035 -3.300 798 1HB GLU 95 1HB GLU 95 -4.547 -6.134 -1.746 799 2HB GLU 95 2HB GLU 95 -5.860 -6.556 -2.838 800 1HG GLU 95 1HG GLU 95 -5.757 -8.097 -0.968 801 2HG GLU 95 2HG GLU 95 -5.412 -8.930 -2.480 802 H MET 96 H MET 96 -5.843 -6.929 -5.286 803 HA MET 96 HA MET 96 -5.784 -9.708 -5.940 804 1HB MET 96 1HB MET 96 -7.251 -7.403 -7.238 805 2HB MET 96 2HB MET 96 -7.494 -9.094 -7.656 806 1HG MET 96 1HG MET 96 -7.977 -7.922 -4.921 807 2HG MET 96 2HG MET 96 -9.220 -8.172 -6.142 808 1HE MET 96 1HE MET 96 -7.214 -11.416 -3.557 809 2HE MET 96 2HE MET 96 -7.224 -9.681 -3.239 810 3HE MET 96 3HE MET 96 -6.223 -10.334 -4.534 811 H TYR 97 H TYR 97 -4.447 -6.820 -7.386 812 HA TYR 97 HA TYR 97 -3.710 -7.904 -9.884 813 1HB TYR 97 1HB TYR 97 -3.688 -5.485 -9.406 814 2HB TYR 97 2HB TYR 97 -2.366 -5.713 -8.271 815 HD1 TYR 97 HD2 TYR 97 -3.296 -5.727 -11.850 816 HD2 TYR 97 HD1 TYR 97 -0.095 -5.936 -9.044 817 HE1 TYR 97 HE2 TYR 97 -1.685 -5.381 -13.668 818 HE2 TYR 97 HE1 TYR 97 1.522 -5.574 -10.860 819 HH TYR 97 HH TYR 97 0.665 -4.474 -13.898 820 H GLN 98 H GLN 98 -1.756 -7.436 -6.946 821 HA GLN 98 HA GLN 98 0.519 -8.821 -7.858 822 1HB GLN 98 1HB GLN 98 0.603 -7.202 -6.014 823 2HB GLN 98 2HB GLN 98 -0.393 -8.257 -5.023 824 1HG GLN 98 1HG GLN 98 1.941 -8.402 -4.372 825 2HG GLN 98 2HG GLN 98 1.375 -9.941 -5.016 826 1HE2 GLN 98 2HE2 GLN 98 2.176 -10.674 -6.986 827 2HE2 GLN 98 1HE2 GLN 98 3.588 -9.998 -7.717 828 H SER 99 H SER 99 -2.208 -9.840 -5.808 829 HA SER 99 HA SER 99 -1.340 -12.472 -5.363 830 1HB SER 99 1HB SER 99 -4.137 -11.308 -5.477 831 2HB SER 99 2HB SER 99 -3.794 -12.966 -4.986 832 HG SER 99 HG SER 99 -3.050 -10.550 -3.700 833 H GLY 100 H GLY 100 -3.302 -11.068 -7.964 834 1HA GLY 100 1HA GLY 100 -3.917 -13.460 -9.303 835 2HA GLY 100 2HA GLY 100 -3.859 -11.866 -10.041 836 H ALA 101 H ALA 101 -1.117 -11.339 -9.483 837 HA ALA 101 HA ALA 101 0.086 -12.680 -11.705 838 1HB ALA 101 1HB ALA 101 1.328 -10.818 -9.677 839 2HB ALA 101 2HB ALA 101 0.551 -10.329 -11.184 840 3HB ALA 101 3HB ALA 101 2.032 -11.287 -11.225 841 H ASN 102 H ASN 102 0.395 -12.931 -8.196 842 HA ASN 102 HA ASN 102 2.607 -14.849 -8.484 843 1HB ASN 102 1HB ASN 102 3.011 -12.985 -6.966 844 2HB ASN 102 2HB ASN 102 1.551 -13.366 -6.059 845 1HD2 ASN 102 2HD2 ASN 102 2.679 -13.614 -4.138 846 2HD2 ASN 102 1HD2 ASN 102 3.698 -14.975 -3.826 847 H LEU 103 H LEU 103 -0.291 -14.520 -6.424 848 HA LEU 103 HA LEU 103 -1.278 -17.106 -6.922 849 1HB LEU 103 1HB LEU 103 -0.883 -18.087 -4.645 850 2HB LEU 103 2HB LEU 103 0.535 -17.989 -5.664 851 HG LEU 103 HG LEU 103 0.990 -15.761 -4.328 852 1HD1 LEU 103 1HD1 LEU 103 0.269 -15.897 -1.989 853 2HD1 LEU 103 2HD1 LEU 103 -0.748 -17.283 -2.386 854 3HD1 LEU 103 3HD1 LEU 103 -1.095 -15.704 -3.087 855 1HD2 LEU 103 1HD2 LEU 103 1.430 -18.499 -3.131 856 2HD2 LEU 103 2HD2 LEU 103 2.320 -17.033 -2.715 857 3HD2 LEU 103 3HD2 LEU 103 2.449 -17.712 -4.337 858 H VAL 104 H VAL 104 -3.410 -17.127 -6.351 859 HA VAL 104 HA VAL 104 -4.287 -14.696 -4.947 860 HB VAL 104 HB VAL 104 -4.878 -14.652 -7.296 861 1HG1 VAL 104 1HG1 VAL 104 -6.431 -17.194 -6.787 862 2HG1 VAL 104 2HG1 VAL 104 -4.969 -17.042 -7.762 863 3HG1 VAL 104 3HG1 VAL 104 -6.456 -16.248 -8.276 864 1HG2 VAL 104 1HG2 VAL 104 -7.303 -15.091 -5.545 865 2HG2 VAL 104 2HG2 VAL 104 -7.268 -14.202 -7.069 866 3HG2 VAL 104 3HG2 VAL 104 -6.376 -13.594 -5.672 867 H CYS 105 H CYS 105 -4.588 -15.328 -2.925 868 HA CYS 105 HA CYS 105 -6.828 -17.193 -2.456 869 1HB CYS 105 1HB CYS 105 -5.737 -17.674 -0.233 870 2HB CYS 105 2HB CYS 105 -4.837 -18.272 -1.624 871 HG CYS 105 HG CYS 105 -4.094 -15.454 0.182 872 H ASN 106 H ASN 106 -5.558 -14.102 -2.226 873 HA ASN 106 HA ASN 106 -6.671 -13.342 0.314 874 1HB ASN 106 1HB ASN 106 -5.370 -11.655 -1.840 875 2HB ASN 106 2HB ASN 106 -5.722 -11.133 -0.193 876 1HD2 ASN 106 2HD2 ASN 106 -3.173 -11.380 -1.671 877 2HD2 ASN 106 1HD2 ASN 106 -2.173 -12.376 -0.673 878 H THR 107 H THR 107 -8.113 -13.847 -2.578 879 HA THR 107 HA THR 107 -9.815 -11.565 -2.783 880 HB THR 107 HB THR 107 -10.346 -14.351 -3.848 881 HG1 THR 107 HG1 THR 107 -9.050 -12.238 -5.239 882 1HG2 THR 107 1HG2 THR 107 -12.266 -12.832 -3.998 883 2HG2 THR 107 2HG2 THR 107 -11.598 -13.149 -5.599 884 3HG2 THR 107 3HG2 THR 107 -11.257 -11.620 -4.790 885 H ARG 108 H ARG 108 -9.822 -14.441 -0.877 886 HA ARG 108 HA ARG 108 -12.645 -14.419 -0.297 887 1HB ARG 108 1HB ARG 108 -10.377 -16.003 0.939 888 2HB ARG 108 2HB ARG 108 -12.086 -16.265 1.269 889 1HG ARG 108 1HG ARG 108 -12.498 -16.958 -0.977 890 2HG ARG 108 2HG ARG 108 -10.888 -16.460 -1.490 891 1HD ARG 108 1HD ARG 108 -11.078 -18.899 -1.233 892 2HD ARG 108 2HD ARG 108 -9.881 -18.203 -0.143 893 HE ARG 108 HE ARG 108 -11.424 -18.504 1.664 894 1HH1 ARG 108 1HH1 ARG 108 -12.401 -20.045 -1.334 895 2HH1 ARG 108 2HH1 ARG 108 -13.409 -21.215 -0.537 896 1HH2 ARG 108 1HH2 ARG 108 -12.740 -20.031 2.699 897 2HH2 ARG 108 2HH2 ARG 108 -13.607 -21.205 1.750 898 HA PRO 109 HA PRO 109 -10.536 -12.687 4.027 899 1HB PRO 109 1HB PRO 109 -8.813 -11.031 2.193 900 2HB PRO 109 2HB PRO 109 -8.561 -11.433 3.898 901 1HG PRO 109 1HG PRO 109 -7.303 -12.809 2.012 902 2HG PRO 109 2HG PRO 109 -7.973 -13.637 3.431 903 1HD PRO 109 1HD PRO 109 -8.922 -13.649 0.621 904 2HD PRO 109 2HD PRO 109 -9.153 -14.860 1.895 905 H PHE 110 H PHE 110 -11.168 -11.080 0.927 906 HA PHE 110 HA PHE 110 -11.999 -8.582 1.688 907 1HB PHE 110 1HB PHE 110 -13.035 -10.450 -0.438 908 2HB PHE 110 2HB PHE 110 -13.808 -8.892 -0.184 909 HD1 PHE 110 HD2 PHE 110 -10.361 -10.292 -0.656 910 HD2 PHE 110 HD1 PHE 110 -13.106 -7.140 -1.490 911 HE1 PHE 110 HE2 PHE 110 -8.699 -9.233 -2.126 912 HE2 PHE 110 HE1 PHE 110 -11.442 -6.077 -2.958 913 HZ PHE 110 HZ PHE 110 -9.238 -7.126 -3.282 914 H ASP 111 H ASP 111 -13.900 -11.563 1.758 915 HA ASP 111 HA ASP 111 -16.334 -10.446 2.592 916 1HB ASP 111 1HB ASP 111 -15.213 -13.234 2.961 917 2HB ASP 111 2HB ASP 111 -16.878 -12.791 3.316 918 H ASN 112 H ASN 112 -13.935 -12.222 4.525 919 HA ASN 112 HA ASN 112 -15.293 -11.888 6.979 920 1HB ASN 112 1HB ASN 112 -13.593 -13.666 6.474 921 2HB ASN 112 2HB ASN 112 -12.339 -12.438 6.584 922 1HD2 ASN 112 2HD2 ASN 112 -12.542 -14.787 8.156 923 2HD2 ASN 112 1HD2 ASN 112 -12.733 -14.307 9.806 924 H GLU 113 H GLU 113 -12.511 -10.183 5.584 925 HA GLU 113 HA GLU 113 -12.068 -8.516 7.826 926 1HB GLU 113 1HB GLU 113 -10.285 -8.972 6.248 927 2HB GLU 113 2HB GLU 113 -11.198 -8.228 4.945 928 1HG GLU 113 1HG GLU 113 -9.371 -6.807 5.813 929 2HG GLU 113 2HG GLU 113 -10.962 -6.056 5.925 930 H GLU 114 H GLU 114 -13.538 -7.793 4.650 931 HA GLU 114 HA GLU 114 -14.064 -5.086 5.488 932 1HB GLU 114 1HB GLU 114 -13.421 -5.689 3.154 933 2HB GLU 114 2HB GLU 114 -14.981 -6.478 2.964 934 1HG GLU 114 1HG GLU 114 -16.099 -4.323 3.394 935 2HG GLU 114 2HG GLU 114 -14.520 -3.550 3.514 936 H LYS 115 H LYS 115 -16.023 -8.004 4.943 937 HA LYS 115 HA LYS 115 -18.444 -6.456 5.534 938 1HB LYS 115 1HB LYS 115 -17.977 -8.414 3.668 939 2HB LYS 115 2HB LYS 115 -18.739 -9.339 4.948 940 1HG LYS 115 1HG LYS 115 -19.936 -6.877 3.667 941 2HG LYS 115 2HG LYS 115 -20.310 -8.533 3.204 942 1HD LYS 115 1HD LYS 115 -22.061 -8.091 4.627 943 2HD LYS 115 2HD LYS 115 -20.904 -8.787 5.758 944 1HE LYS 115 1HE LYS 115 -20.172 -6.422 6.281 945 2HE LYS 115 2HE LYS 115 -21.555 -5.871 5.339 946 1HZ LYS 115 1HZ LYS 115 -21.930 -6.039 7.786 947 2HZ LYS 115 2HZ LYS 115 -21.794 -7.718 7.646 948 3HZ LYS 115 3HZ LYS 115 -23.040 -6.900 6.850 949 H ASP 116 H ASP 116 -16.765 -9.395 6.644 950 HA ASP 116 HA ASP 116 -16.715 -10.492 8.632 951 1HB ASP 116 1HB ASP 116 -16.249 -8.234 9.563 952 2HB ASP 116 2HB ASP 116 -17.976 -7.969 9.758 953 H LYS 117 H LYS 117 -19.100 -10.436 6.817 954 HA LYS 117 HA LYS 117 -21.122 -11.430 6.634 955 1HB LYS 117 1HB LYS 117 -20.521 -12.497 9.404 956 2HB LYS 117 2HB LYS 117 -21.846 -13.035 8.385 957 1HG LYS 117 1HG LYS 117 -20.234 -13.842 6.723 958 2HG LYS 117 2HG LYS 117 -18.909 -13.310 7.759 959 1HD LYS 117 1HD LYS 117 -19.168 -15.652 8.115 960 2HD LYS 117 2HD LYS 117 -19.812 -14.844 9.543 961 1HE LYS 117 1HE LYS 117 -21.513 -15.827 7.246 962 2HE LYS 117 2HE LYS 117 -21.188 -16.767 8.699 963 1HZ LYS 117 1HZ LYS 117 -22.603 -14.156 8.581 964 2HZ LYS 117 2HZ LYS 117 -22.236 -14.993 10.006 965 3HZ LYS 117 3HZ LYS 117 -23.302 -15.664 8.879 Start of MODEL 16 1 1H SER 1 1H SER 1 6.955 14.226 0.746 2 2H SER 1 2H SER 1 6.990 15.911 0.889 3 3H SER 1 3H SER 1 8.232 15.105 0.077 4 HA SER 1 HA SER 1 5.411 15.285 -0.785 5 1HB SER 1 1HB SER 1 6.448 16.556 -2.702 6 2HB SER 1 2HB SER 1 6.583 17.375 -1.145 7 HG SER 1 HG SER 1 8.532 17.018 -2.691 8 H MET 2 H MET 2 5.890 14.894 -3.480 9 HA MET 2 HA MET 2 6.016 12.117 -3.744 10 1HB MET 2 1HB MET 2 5.000 13.678 -5.396 11 2HB MET 2 2HB MET 2 6.611 14.194 -5.869 12 1HG MET 2 1HG MET 2 5.740 12.623 -7.475 13 2HG MET 2 2HG MET 2 7.108 11.906 -6.621 14 1HE MET 2 1HE MET 2 6.341 9.515 -7.582 15 2HE MET 2 2HE MET 2 4.956 10.259 -8.380 16 3HE MET 2 3HE MET 2 4.726 8.848 -7.345 17 H ASN 3 H ASN 3 8.516 14.418 -3.444 18 HA ASN 3 HA ASN 3 10.669 13.376 -4.765 19 1HB ASN 3 1HB ASN 3 10.711 15.495 -3.506 20 2HB ASN 3 2HB ASN 3 10.689 14.596 -1.993 21 1HD2 ASN 3 2HD2 ASN 3 12.524 13.678 -4.859 22 2HD2 ASN 3 1HD2 ASN 3 14.083 13.931 -4.160 23 H GLU 4 H GLU 4 9.493 12.380 -1.542 24 HA GLU 4 HA GLU 4 11.582 10.625 -0.923 25 1HB GLU 4 1HB GLU 4 8.674 10.406 -0.112 26 2HB GLU 4 2HB GLU 4 9.972 9.447 0.578 27 1HG GLU 4 1HG GLU 4 9.663 11.126 2.139 28 2HG GLU 4 2HG GLU 4 11.041 11.698 1.200 29 H LEU 5 H LEU 5 8.846 10.192 -3.041 30 HA LEU 5 HA LEU 5 9.207 7.340 -3.284 31 1HB LEU 5 1HB LEU 5 7.009 8.552 -3.603 32 2HB LEU 5 2HB LEU 5 7.644 9.191 -5.102 33 HG LEU 5 HG LEU 5 6.078 7.244 -5.354 34 1HD1 LEU 5 1HD1 LEU 5 8.851 6.751 -6.428 35 2HD1 LEU 5 2HD1 LEU 5 7.650 7.830 -7.136 36 3HD1 LEU 5 3HD1 LEU 5 7.344 6.095 -7.065 37 1HD2 LEU 5 1HD2 LEU 5 6.740 5.929 -3.429 38 2HD2 LEU 5 2HD2 LEU 5 8.347 5.685 -4.114 39 3HD2 LEU 5 3HD2 LEU 5 6.937 4.982 -4.904 40 H GLU 6 H GLU 6 9.764 10.162 -5.408 41 HA GLU 6 HA GLU 6 11.071 8.474 -7.376 42 1HB GLU 6 1HB GLU 6 11.201 10.525 -8.735 43 2HB GLU 6 2HB GLU 6 9.570 10.207 -8.160 44 1HG GLU 6 1HG GLU 6 9.793 11.906 -6.454 45 2HG GLU 6 2HG GLU 6 11.478 12.174 -6.899 46 H ALA 7 H ALA 7 12.202 9.731 -4.593 47 HA ALA 7 HA ALA 7 14.503 11.171 -5.219 48 1HB ALA 7 1HB ALA 7 14.089 9.321 -2.870 49 2HB ALA 7 2HB ALA 7 13.593 11.010 -2.954 50 3HB ALA 7 3HB ALA 7 15.306 10.594 -2.990 51 H GLN 8 H GLN 8 14.131 7.661 -4.795 52 HA GLN 8 HA GLN 8 16.950 7.189 -5.212 53 1HB GLN 8 1HB GLN 8 14.714 5.158 -5.127 54 2HB GLN 8 2HB GLN 8 16.421 4.867 -4.842 55 1HG GLN 8 1HG GLN 8 16.370 5.972 -2.760 56 2HG GLN 8 2HG GLN 8 14.802 6.702 -3.095 57 1HE2 GLN 8 2HE2 GLN 8 16.471 3.830 -2.102 58 2HE2 GLN 8 1HE2 GLN 8 15.082 2.956 -1.565 59 H THR 9 H THR 9 17.882 6.145 -7.032 60 HA THR 9 HA THR 9 16.434 6.949 -9.453 61 HB THR 9 HB THR 9 19.416 6.582 -9.049 62 HG1 THR 9 HG1 THR 9 18.233 8.339 -7.863 63 1HG2 THR 9 1HG2 THR 9 17.878 7.928 -11.285 64 2HG2 THR 9 2HG2 THR 9 18.718 6.382 -11.405 65 3HG2 THR 9 3HG2 THR 9 19.634 7.863 -11.129 66 H ARG 10 H ARG 10 16.208 5.722 -11.200 67 HA ARG 10 HA ARG 10 15.911 3.922 -12.512 68 1HB ARG 10 1HB ARG 10 18.564 3.125 -11.299 69 2HB ARG 10 2HB ARG 10 17.799 2.252 -12.620 70 1HG ARG 10 1HG ARG 10 17.889 4.314 -13.987 71 2HG ARG 10 2HG ARG 10 18.745 5.116 -12.667 72 1HD ARG 10 1HD ARG 10 19.706 2.627 -14.088 73 2HD ARG 10 2HD ARG 10 20.251 4.264 -14.451 74 HE ARG 10 HE ARG 10 21.031 4.303 -12.052 75 1HH1 ARG 10 1HH1 ARG 10 20.753 1.291 -13.815 76 2HH1 ARG 10 2HH1 ARG 10 22.065 0.529 -12.979 77 1HH2 ARG 10 1HH2 ARG 10 22.750 3.303 -10.922 78 2HH2 ARG 10 2HH2 ARG 10 23.194 1.668 -11.312 79 H VAL 11 H VAL 11 15.543 3.640 -9.286 80 HA VAL 11 HA VAL 11 14.545 0.888 -9.576 81 HB VAL 11 HB VAL 11 16.098 0.964 -7.750 82 1HG1 VAL 11 1HG1 VAL 11 16.096 3.371 -7.331 83 2HG1 VAL 11 2HG1 VAL 11 15.862 2.464 -5.835 84 3HG1 VAL 11 3HG1 VAL 11 14.489 3.253 -6.613 85 1HG2 VAL 11 1HG2 VAL 11 13.277 0.976 -6.662 86 2HG2 VAL 11 2HG2 VAL 11 14.685 0.266 -5.871 87 3HG2 VAL 11 3HG2 VAL 11 14.101 -0.399 -7.397 88 H LYS 12 H LYS 12 13.746 4.086 -8.245 89 HA LYS 12 HA LYS 12 11.050 3.231 -7.645 90 1HB LYS 12 1HB LYS 12 12.328 5.961 -7.391 91 2HB LYS 12 2HB LYS 12 10.760 5.496 -6.742 92 1HG LYS 12 1HG LYS 12 13.382 4.242 -5.947 93 2HG LYS 12 2HG LYS 12 12.572 5.525 -5.050 94 1HD LYS 12 1HD LYS 12 11.244 2.885 -5.659 95 2HD LYS 12 2HD LYS 12 12.242 3.131 -4.227 96 1HE LYS 12 1HE LYS 12 9.834 4.815 -4.921 97 2HE LYS 12 2HE LYS 12 9.788 3.419 -3.846 98 1HZ LYS 12 1HZ LYS 12 11.291 5.943 -3.432 99 2HZ LYS 12 2HZ LYS 12 11.476 4.567 -2.462 100 3HZ LYS 12 3HZ LYS 12 9.983 5.364 -2.521 101 H LEU 13 H LEU 13 12.675 4.886 -10.237 102 HA LEU 13 HA LEU 13 10.393 6.226 -11.275 103 1HB LEU 13 1HB LEU 13 13.016 5.421 -12.516 104 2HB LEU 13 2HB LEU 13 11.749 6.188 -13.454 105 HG LEU 13 HG LEU 13 11.829 8.088 -11.747 106 1HD1 LEU 13 1HD1 LEU 13 13.038 6.933 -9.979 107 2HD1 LEU 13 2HD1 LEU 13 13.915 8.368 -10.511 108 3HD1 LEU 13 3HD1 LEU 13 14.445 6.767 -11.030 109 1HD2 LEU 13 1HD2 LEU 13 14.238 7.590 -13.493 110 2HD2 LEU 13 2HD2 LEU 13 13.731 9.154 -12.852 111 3HD2 LEU 13 3HD2 LEU 13 12.706 8.299 -14.004 112 H ASN 14 H ASN 14 11.794 3.038 -11.814 113 HA ASN 14 HA ASN 14 10.114 2.188 -13.906 114 1HB ASN 14 1HB ASN 14 11.125 0.407 -11.673 115 2HB ASN 14 2HB ASN 14 10.746 -0.059 -13.327 116 1HD2 ASN 14 2HD2 ASN 14 13.168 -0.474 -11.820 117 2HD2 ASN 14 1HD2 ASN 14 14.443 0.297 -12.702 118 H TYR 15 H TYR 15 9.870 1.683 -10.413 119 HA TYR 15 HA TYR 15 7.324 0.501 -10.406 120 1HB TYR 15 1HB TYR 15 8.930 0.356 -8.530 121 2HB TYR 15 2HB TYR 15 8.689 2.068 -8.200 122 HD1 TYR 15 HD1 TYR 15 7.124 -1.272 -8.064 123 HD2 TYR 15 HD2 TYR 15 6.722 2.840 -7.034 124 HE1 TYR 15 HE1 TYR 15 5.253 -1.834 -6.574 125 HE2 TYR 15 HE2 TYR 15 4.845 2.287 -5.540 126 HH TYR 15 HH TYR 15 3.161 0.482 -5.281 127 H LEU 16 H LEU 16 8.363 3.854 -10.345 128 HA LEU 16 HA LEU 16 5.920 5.064 -9.645 129 1HB LEU 16 1HB LEU 16 8.263 6.114 -9.858 130 2HB LEU 16 2HB LEU 16 7.935 6.235 -11.572 131 HG LEU 16 HG LEU 16 6.228 7.555 -9.446 132 1HD1 LEU 16 1HD1 LEU 16 8.463 8.738 -11.096 133 2HD1 LEU 16 2HD1 LEU 16 8.482 8.463 -9.353 134 3HD1 LEU 16 3HD1 LEU 16 7.367 9.639 -10.046 135 1HD2 LEU 16 1HD2 LEU 16 5.420 8.927 -11.327 136 2HD2 LEU 16 2HD2 LEU 16 5.050 7.219 -11.547 137 3HD2 LEU 16 3HD2 LEU 16 6.382 7.953 -12.440 138 H ASP 17 H ASP 17 7.339 4.251 -12.784 139 HA ASP 17 HA ASP 17 5.283 5.119 -14.450 140 1HB ASP 17 1HB ASP 17 7.441 4.453 -15.338 141 2HB ASP 17 2HB ASP 17 7.212 2.803 -14.770 142 H GLN 18 H GLN 18 5.818 1.921 -13.000 143 HA GLN 18 HA GLN 18 3.511 0.643 -13.948 144 1HB GLN 18 1HB GLN 18 5.353 -0.573 -12.894 145 2HB GLN 18 2HB GLN 18 5.029 0.221 -11.358 146 1HG GLN 18 1HG GLN 18 2.765 -0.873 -11.379 147 2HG GLN 18 2HG GLN 18 3.297 -1.794 -12.784 148 1HE2 GLN 18 2HE2 GLN 18 5.355 -0.925 -10.077 149 2HE2 GLN 18 1HE2 GLN 18 5.588 -2.534 -9.498 150 H ILE 19 H ILE 19 4.043 2.221 -10.808 151 HA ILE 19 HA ILE 19 1.517 1.606 -9.740 152 HB ILE 19 HB ILE 19 3.641 2.245 -8.464 153 1HG1 ILE 19 1HG1 ILE 19 2.329 3.387 -6.621 154 2HG1 ILE 19 2HG1 ILE 19 0.963 3.456 -7.731 155 1HG2 ILE 19 1HG2 ILE 19 2.661 5.049 -9.011 156 2HG2 ILE 19 2HG2 ILE 19 4.138 4.327 -9.647 157 3HG2 ILE 19 3HG2 ILE 19 3.967 4.599 -7.913 158 1HD1 ILE 19 1HD1 ILE 19 0.783 1.575 -6.211 159 2HD1 ILE 19 2HD1 ILE 19 2.334 0.953 -6.775 160 3HD1 ILE 19 3HD1 ILE 19 0.959 1.026 -7.877 161 H ALA 20 H ALA 20 2.698 4.300 -11.614 162 HA ALA 20 HA ALA 20 0.453 6.008 -11.097 163 1HB ALA 20 1HB ALA 20 2.561 6.187 -13.256 164 2HB ALA 20 2HB ALA 20 2.651 6.937 -11.662 165 3HB ALA 20 3HB ALA 20 1.420 7.457 -12.812 166 H LYS 21 H LYS 21 1.517 4.018 -13.872 167 HA LYS 21 HA LYS 21 -0.679 4.862 -15.476 168 1HB LYS 21 1HB LYS 21 1.656 3.830 -16.183 169 2HB LYS 21 2HB LYS 21 0.777 2.310 -16.078 170 1HG LYS 21 1HG LYS 21 -0.969 3.724 -17.561 171 2HG LYS 21 2HG LYS 21 0.529 4.522 -18.032 172 1HD LYS 21 1HD LYS 21 0.232 2.802 -19.611 173 2HD LYS 21 2HD LYS 21 1.443 2.177 -18.489 174 1HE LYS 21 1HE LYS 21 -0.261 0.877 -17.335 175 2HE LYS 21 2HE LYS 21 -1.516 1.559 -18.372 176 1HZ LYS 21 1HZ LYS 21 -0.811 -0.676 -19.059 177 2HZ LYS 21 2HZ LYS 21 0.751 -0.100 -19.333 178 3HZ LYS 21 3HZ LYS 21 -0.532 0.476 -20.263 179 H PHE 22 H PHE 22 0.036 1.739 -13.868 180 HA PHE 22 HA PHE 22 -2.167 0.336 -14.771 181 1HB PHE 22 1HB PHE 22 -0.431 -0.817 -13.552 182 2HB PHE 22 2HB PHE 22 -0.754 0.126 -12.100 183 HD1 PHE 22 HD1 PHE 22 -2.278 -2.378 -14.395 184 HD2 PHE 22 HD2 PHE 22 -2.310 -0.642 -10.503 185 HE1 PHE 22 HE1 PHE 22 -3.892 -4.076 -13.650 186 HE2 PHE 22 HE2 PHE 22 -3.921 -2.337 -9.754 187 HZ PHE 22 HZ PHE 22 -4.717 -4.058 -11.330 188 H TRP 23 H TRP 23 -1.922 2.330 -11.852 189 HA TRP 23 HA TRP 23 -4.576 1.779 -11.006 190 1HB TRP 23 1HB TRP 23 -2.794 2.379 -9.428 191 2HB TRP 23 2HB TRP 23 -2.690 3.983 -10.144 192 HD1 TRP 23 HD1 TRP 23 -3.541 5.497 -8.249 193 HE1 TRP 23 HE1 TRP 23 -5.708 5.654 -6.871 194 HE3 TRP 23 HE3 TRP 23 -5.802 1.172 -9.779 195 HZ2 TRP 23 HZ2 TRP 23 -8.059 4.142 -6.473 196 HZ3 TRP 23 HZ3 TRP 23 -8.008 0.601 -8.861 197 HH2 TRP 23 HH2 TRP 23 -9.114 2.057 -7.235 198 H GLU 24 H GLU 24 -3.099 4.447 -12.837 199 HA GLU 24 HA GLU 24 -5.430 6.097 -12.684 200 1HB GLU 24 1HB GLU 24 -3.102 6.943 -13.109 201 2HB GLU 24 2HB GLU 24 -3.199 6.254 -14.725 202 1HG GLU 24 1HG GLU 24 -5.059 7.715 -15.269 203 2HG GLU 24 2HG GLU 24 -5.056 8.362 -13.629 204 H ILE 25 H ILE 25 -4.249 3.675 -14.917 205 HA ILE 25 HA ILE 25 -6.298 4.147 -16.888 206 HB ILE 25 HB ILE 25 -4.453 1.756 -16.601 207 1HG1 ILE 25 1HG1 ILE 25 -3.110 3.758 -16.830 208 2HG1 ILE 25 2HG1 ILE 25 -3.082 2.891 -18.359 209 1HG2 ILE 25 1HG2 ILE 25 -6.051 2.729 -18.974 210 2HG2 ILE 25 2HG2 ILE 25 -6.365 1.277 -18.026 211 3HG2 ILE 25 3HG2 ILE 25 -4.897 1.395 -18.994 212 1HD1 ILE 25 1HD1 ILE 25 -4.714 5.338 -17.719 213 2HD1 ILE 25 2HD1 ILE 25 -4.755 4.454 -19.246 214 3HD1 ILE 25 3HD1 ILE 25 -3.273 5.259 -18.733 215 H GLN 26 H GLN 26 -6.092 2.517 -13.919 216 HA GLN 26 HA GLN 26 -8.048 0.477 -14.420 217 1HB GLN 26 1HB GLN 26 -6.240 0.364 -12.666 218 2HB GLN 26 2HB GLN 26 -7.126 1.576 -11.754 219 1HG GLN 26 1HG GLN 26 -7.543 -0.657 -10.894 220 2HG GLN 26 2HG GLN 26 -9.019 0.056 -11.540 221 1HE2 GLN 26 2HE2 GLN 26 -10.009 -1.910 -11.871 222 2HE2 GLN 26 1HE2 GLN 26 -9.523 -3.005 -13.119 223 H GLY 27 H GLY 27 -8.592 3.517 -14.788 224 1HA GLY 27 1HA GLY 27 -10.607 4.652 -14.889 225 2HA GLY 27 2HA GLY 27 -11.350 3.366 -13.948 226 H SER 28 H SER 28 -8.462 5.101 -12.995 227 HA SER 28 HA SER 28 -9.925 6.754 -11.105 228 1HB SER 28 1HB SER 28 -9.580 4.542 -9.960 229 2HB SER 28 2HB SER 28 -7.841 4.777 -10.127 230 HG SER 28 HG SER 28 -9.432 5.683 -8.220 231 H SER 29 H SER 29 -7.907 7.691 -9.579 232 HA SER 29 HA SER 29 -5.721 8.442 -11.398 233 1HB SER 29 1HB SER 29 -5.826 10.767 -10.476 234 2HB SER 29 2HB SER 29 -7.257 10.330 -11.410 235 HG SER 29 HG SER 29 -7.718 9.626 -8.903 236 H LEU 30 H LEU 30 -3.723 8.495 -10.437 237 HA LEU 30 HA LEU 30 -3.426 7.099 -7.998 238 1HB LEU 30 1HB LEU 30 -1.749 7.048 -9.812 239 2HB LEU 30 2HB LEU 30 -1.363 8.729 -9.488 240 HG LEU 30 HG LEU 30 -0.553 8.124 -7.243 241 1HD1 LEU 30 1HD1 LEU 30 -1.160 5.285 -8.071 242 2HD1 LEU 30 2HD1 LEU 30 -1.976 6.203 -6.805 243 3HD1 LEU 30 3HD1 LEU 30 -0.277 5.768 -6.622 244 1HD2 LEU 30 1HD2 LEU 30 1.461 6.935 -7.926 245 2HD2 LEU 30 2HD2 LEU 30 1.016 8.159 -9.116 246 3HD2 LEU 30 3HD2 LEU 30 0.679 6.456 -9.432 247 H LYS 31 H LYS 31 -4.463 8.131 -6.364 248 HA LYS 31 HA LYS 31 -3.484 10.788 -5.571 249 1HB LYS 31 1HB LYS 31 -5.963 9.276 -4.697 250 2HB LYS 31 2HB LYS 31 -5.496 10.865 -4.112 251 1HG LYS 31 1HG LYS 31 -5.920 10.399 -7.046 252 2HG LYS 31 2HG LYS 31 -7.293 10.650 -5.973 253 1HD LYS 31 1HD LYS 31 -6.720 12.767 -6.931 254 2HD LYS 31 2HD LYS 31 -6.240 12.799 -5.236 255 1HE LYS 31 1HE LYS 31 -3.913 12.331 -5.911 256 2HE LYS 31 2HE LYS 31 -4.414 12.343 -7.601 257 1HZ LYS 31 1HZ LYS 31 -3.422 14.453 -6.821 258 2HZ LYS 31 2HZ LYS 31 -4.728 14.648 -5.760 259 3HZ LYS 31 3HZ LYS 31 -4.992 14.634 -7.429 260 H ILE 32 H ILE 32 -1.537 10.011 -4.701 261 HA ILE 32 HA ILE 32 -1.815 8.479 -2.201 262 HB ILE 32 HB ILE 32 0.711 8.201 -2.386 263 1HG1 ILE 32 1HG1 ILE 32 0.164 9.104 -5.235 264 2HG1 ILE 32 2HG1 ILE 32 1.146 9.962 -4.052 265 1HG2 ILE 32 1HG2 ILE 32 0.519 6.308 -3.932 266 2HG2 ILE 32 2HG2 ILE 32 -1.031 6.930 -4.500 267 3HG2 ILE 32 3HG2 ILE 32 -0.855 6.391 -2.830 268 1HD1 ILE 32 1HD1 ILE 32 2.737 8.105 -4.037 269 2HD1 ILE 32 2HD1 ILE 32 2.530 8.784 -5.651 270 3HD1 ILE 32 3HD1 ILE 32 1.752 7.258 -5.232 271 HA PRO 33 HA PRO 33 -1.216 12.692 -0.626 272 1HB PRO 33 1HB PRO 33 -2.253 11.543 1.878 273 2HB PRO 33 2HB PRO 33 -2.920 12.839 0.881 274 1HG PRO 33 1HG PRO 33 -4.097 10.424 1.045 275 2HG PRO 33 2HG PRO 33 -4.120 11.380 -0.450 276 1HD PRO 33 1HD PRO 33 -2.338 9.072 0.292 277 2HD PRO 33 2HD PRO 33 -3.201 9.382 -1.233 278 H ASN 34 H ASN 34 -0.483 13.301 1.811 279 HA ASN 34 HA ASN 34 1.771 11.606 2.600 280 1HB ASN 34 1HB ASN 34 3.313 13.464 2.655 281 2HB ASN 34 2HB ASN 34 2.632 13.356 1.038 282 1HD2 ASN 34 2HD2 ASN 34 1.133 14.934 0.369 283 2HD2 ASN 34 1HD2 ASN 34 1.013 16.460 1.170 284 H VAL 35 H VAL 35 2.590 12.042 4.655 285 HA VAL 35 HA VAL 35 1.017 13.763 6.391 286 HB VAL 35 HB VAL 35 -0.054 11.559 6.621 287 1HG1 VAL 35 1HG1 VAL 35 1.815 10.149 5.950 288 2HG1 VAL 35 2HG1 VAL 35 1.165 9.634 7.507 289 3HG1 VAL 35 3HG1 VAL 35 2.671 10.551 7.440 290 1HG2 VAL 35 1HG2 VAL 35 0.061 12.998 8.596 291 2HG2 VAL 35 2HG2 VAL 35 1.602 12.270 9.048 292 3HG2 VAL 35 3HG2 VAL 35 0.132 11.294 9.048 293 H GLU 36 H GLU 36 2.259 14.616 8.112 294 HA GLU 36 HA GLU 36 4.170 15.340 9.128 295 1HB GLU 36 1HB GLU 36 5.203 12.567 8.466 296 2HB GLU 36 2HB GLU 36 5.945 13.697 9.586 297 1HG GLU 36 1HG GLU 36 3.246 12.386 9.882 298 2HG GLU 36 2HG GLU 36 4.706 12.012 10.794 299 H ARG 37 H ARG 37 3.677 15.477 6.246 300 HA ARG 37 HA ARG 37 4.513 16.389 4.389 301 1HB ARG 37 1HB ARG 37 6.292 17.894 4.465 302 2HB ARG 37 2HB ARG 37 5.642 17.917 6.093 303 1HG ARG 37 1HG ARG 37 7.653 15.985 6.183 304 2HG ARG 37 2HG ARG 37 8.313 17.267 5.167 305 1HD ARG 37 1HD ARG 37 7.158 17.587 7.944 306 2HD ARG 37 2HD ARG 37 8.870 17.659 7.505 307 HE ARG 37 HE ARG 37 7.973 19.608 5.990 308 1HH1 ARG 37 1HH1 ARG 37 7.072 18.883 9.297 309 2HH1 ARG 37 2HH1 ARG 37 6.688 20.530 9.685 310 1HH2 ARG 37 1HH2 ARG 37 7.456 21.757 6.484 311 2HH2 ARG 37 2HH2 ARG 37 6.875 22.162 8.072 312 H ARG 38 H ARG 38 5.248 13.565 5.390 313 HA ARG 38 HA ARG 38 7.101 13.012 3.170 314 1HB ARG 38 1HB ARG 38 6.655 11.604 5.781 315 2HB ARG 38 2HB ARG 38 7.228 10.690 4.390 316 1HG ARG 38 1HG ARG 38 9.123 12.239 4.175 317 2HG ARG 38 2HG ARG 38 8.571 13.093 5.619 318 1HD ARG 38 1HD ARG 38 9.391 10.185 5.494 319 2HD ARG 38 2HD ARG 38 10.376 11.503 6.127 320 HE ARG 38 HE ARG 38 8.458 11.803 7.773 321 1HH1 ARG 38 1HH1 ARG 38 9.372 8.704 6.421 322 2HH1 ARG 38 2HH1 ARG 38 8.792 7.800 7.778 323 1HH2 ARG 38 1HH2 ARG 38 7.710 10.612 9.573 324 2HH2 ARG 38 2HH2 ARG 38 7.864 8.886 9.582 325 H ILE 39 H ILE 39 6.447 11.764 1.544 326 HA ILE 39 HA ILE 39 3.618 11.461 1.210 327 HB ILE 39 HB ILE 39 5.147 12.047 -0.668 328 1HG1 ILE 39 1HG1 ILE 39 3.530 9.513 -1.085 329 2HG1 ILE 39 2HG1 ILE 39 2.885 11.150 -1.099 330 1HG2 ILE 39 1HG2 ILE 39 7.000 10.548 -0.120 331 2HG2 ILE 39 2HG2 ILE 39 6.448 10.290 -1.774 332 3HG2 ILE 39 3HG2 ILE 39 5.997 9.150 -0.506 333 1HD1 ILE 39 1HD1 ILE 39 4.862 10.005 -3.059 334 2HD1 ILE 39 2HD1 ILE 39 4.246 11.658 -3.068 335 3HD1 ILE 39 3HD1 ILE 39 3.148 10.307 -3.345 336 H LEU 40 H LEU 40 2.424 9.567 0.931 337 HA LEU 40 HA LEU 40 3.224 7.320 2.484 338 1HB LEU 40 1HB LEU 40 0.851 8.079 2.110 339 2HB LEU 40 2HB LEU 40 0.972 7.485 0.466 340 HG LEU 40 HG LEU 40 1.301 5.196 1.298 341 1HD1 LEU 40 1HD1 LEU 40 1.028 4.684 3.672 342 2HD1 LEU 40 2HD1 LEU 40 0.930 6.405 4.041 343 3HD1 LEU 40 3HD1 LEU 40 2.425 5.724 3.400 344 1HD2 LEU 40 1HD2 LEU 40 -0.974 5.983 0.832 345 2HD2 LEU 40 2HD2 LEU 40 -1.127 6.544 2.497 346 3HD2 LEU 40 3HD2 LEU 40 -0.955 4.821 2.158 347 H ASP 41 H ASP 41 5.016 6.296 1.743 348 HA ASP 41 HA ASP 41 5.610 5.997 -1.031 349 1HB ASP 41 1HB ASP 41 7.337 6.182 0.790 350 2HB ASP 41 2HB ASP 41 6.904 4.557 1.304 351 H LEU 42 H LEU 42 4.010 4.904 -2.017 352 HA LEU 42 HA LEU 42 2.558 2.720 -1.169 353 1HB LEU 42 1HB LEU 42 2.561 4.298 -3.370 354 2HB LEU 42 2HB LEU 42 3.234 2.840 -4.065 355 HG LEU 42 HG LEU 42 0.815 2.982 -4.412 356 1HD1 LEU 42 1HD1 LEU 42 0.171 0.775 -3.612 357 2HD1 LEU 42 2HD1 LEU 42 1.540 0.762 -2.499 358 3HD1 LEU 42 3HD1 LEU 42 1.818 0.763 -4.242 359 1HD2 LEU 42 1HD2 LEU 42 -0.751 2.856 -2.561 360 2HD2 LEU 42 2HD2 LEU 42 0.261 4.292 -2.415 361 3HD2 LEU 42 3HD2 LEU 42 0.578 2.882 -1.403 362 H TYR 43 H TYR 43 5.758 2.817 -2.540 363 HA TYR 43 HA TYR 43 6.000 0.160 -3.429 364 1HB TYR 43 1HB TYR 43 7.549 2.287 -3.716 365 2HB TYR 43 2HB TYR 43 8.348 1.650 -2.286 366 HD1 TYR 43 HD2 TYR 43 8.000 -1.344 -3.031 367 HD2 TYR 43 HD1 TYR 43 9.328 2.050 -5.228 368 HE1 TYR 43 HE2 TYR 43 9.340 -2.809 -4.483 369 HE2 TYR 43 HE1 TYR 43 10.656 0.608 -6.679 370 HH TYR 43 HH TYR 43 11.760 -1.739 -6.441 371 H SER 44 H SER 44 7.160 1.674 -0.421 372 HA SER 44 HA SER 44 8.021 -0.682 0.825 373 1HB SER 44 1HB SER 44 7.058 1.891 2.116 374 2HB SER 44 2HB SER 44 8.022 0.639 2.903 375 HG SER 44 HG SER 44 8.753 2.478 0.912 376 H LEU 45 H LEU 45 4.908 0.978 0.862 377 HA LEU 45 HA LEU 45 3.603 -0.558 2.788 378 1HB LEU 45 1HB LEU 45 2.593 1.458 1.927 379 2HB LEU 45 2HB LEU 45 2.544 0.798 0.302 380 HG LEU 45 HG LEU 45 0.863 -0.851 1.005 381 1HD1 LEU 45 1HD1 LEU 45 1.511 -1.146 3.322 382 2HD1 LEU 45 2HD1 LEU 45 -0.188 -0.687 3.218 383 3HD1 LEU 45 3HD1 LEU 45 1.020 0.506 3.698 384 1HD2 LEU 45 1HD2 LEU 45 0.109 1.292 0.119 385 2HD2 LEU 45 2HD2 LEU 45 0.130 1.985 1.741 386 3HD2 LEU 45 3HD2 LEU 45 -1.005 0.693 1.350 387 H SER 46 H SER 46 3.786 -1.012 -0.730 388 HA SER 46 HA SER 46 2.208 -3.306 -0.899 389 1HB SER 46 1HB SER 46 2.894 -1.932 -2.850 390 2HB SER 46 2HB SER 46 4.542 -2.532 -2.678 391 HG SER 46 HG SER 46 3.854 -4.046 -3.971 392 H LYS 47 H LYS 47 5.772 -3.027 -0.657 393 HA LYS 47 HA LYS 47 6.192 -5.832 -0.751 394 1HB LYS 47 1HB LYS 47 8.498 -5.343 -0.045 395 2HB LYS 47 2HB LYS 47 7.978 -4.302 -1.364 396 1HG LYS 47 1HG LYS 47 7.598 -2.477 0.204 397 2HG LYS 47 2HG LYS 47 8.080 -3.517 1.547 398 1HD LYS 47 1HD LYS 47 9.852 -2.765 -0.785 399 2HD LYS 47 2HD LYS 47 9.885 -1.990 0.800 400 1HE LYS 47 1HE LYS 47 10.443 -4.176 1.819 401 2HE LYS 47 2HE LYS 47 10.488 -4.892 0.208 402 1HZ LYS 47 1HZ LYS 47 12.242 -2.689 1.155 403 2HZ LYS 47 2HZ LYS 47 12.301 -3.424 -0.367 404 3HZ LYS 47 3HZ LYS 47 12.696 -4.313 1.014 405 H ILE 48 H ILE 48 5.615 -3.583 1.899 406 HA ILE 48 HA ILE 48 6.320 -5.418 3.969 407 HB ILE 48 HB ILE 48 4.648 -2.903 4.003 408 1HG1 ILE 48 1HG1 ILE 48 7.388 -3.573 5.124 409 2HG1 ILE 48 2HG1 ILE 48 7.070 -2.611 3.684 410 1HG2 ILE 48 1HG2 ILE 48 4.648 -3.046 6.461 411 2HG2 ILE 48 2HG2 ILE 48 5.394 -4.641 6.366 412 3HG2 ILE 48 3HG2 ILE 48 3.768 -4.388 5.731 413 1HD1 ILE 48 1HD1 ILE 48 5.961 -0.925 5.071 414 2HD1 ILE 48 2HD1 ILE 48 7.632 -1.201 5.564 415 3HD1 ILE 48 3HD1 ILE 48 6.312 -1.889 6.507 416 H VAL 49 H VAL 49 3.232 -4.554 2.415 417 HA VAL 49 HA VAL 49 1.562 -6.194 3.970 418 HB VAL 49 HB VAL 49 1.299 -5.412 1.044 419 1HG1 VAL 49 1HG1 VAL 49 -0.772 -6.637 2.880 420 2HG1 VAL 49 2HG1 VAL 49 -0.039 -7.407 1.473 421 3HG1 VAL 49 3HG1 VAL 49 -1.084 -6.003 1.264 422 1HG2 VAL 49 1HG2 VAL 49 1.307 -3.519 2.604 423 2HG2 VAL 49 2HG2 VAL 49 0.007 -4.269 3.530 424 3HG2 VAL 49 3HG2 VAL 49 -0.282 -3.736 1.874 425 H VAL 50 H VAL 50 3.449 -6.884 1.039 426 HA VAL 50 HA VAL 50 2.742 -9.617 0.807 427 HB VAL 50 HB VAL 50 5.302 -8.240 -0.062 428 1HG1 VAL 50 1HG1 VAL 50 5.564 -10.112 -1.632 429 2HG1 VAL 50 2HG1 VAL 50 4.146 -10.896 -0.935 430 3HG1 VAL 50 3HG1 VAL 50 5.596 -10.663 0.044 431 1HG2 VAL 50 1HG2 VAL 50 2.769 -8.819 -1.608 432 2HG2 VAL 50 2HG2 VAL 50 4.241 -8.110 -2.271 433 3HG2 VAL 50 3HG2 VAL 50 3.309 -7.232 -1.057 434 H GLU 51 H GLU 51 5.269 -7.932 2.601 435 HA GLU 51 HA GLU 51 6.661 -10.213 3.530 436 1HB GLU 51 1HB GLU 51 7.588 -7.916 3.542 437 2HB GLU 51 2HB GLU 51 6.425 -7.461 4.778 438 1HG GLU 51 1HG GLU 51 7.449 -9.089 6.316 439 2HG GLU 51 2HG GLU 51 8.638 -9.487 5.075 440 H GLU 52 H GLU 52 3.829 -8.510 4.626 441 HA GLU 52 HA GLU 52 3.637 -9.894 7.150 442 1HB GLU 52 1HB GLU 52 1.702 -8.101 5.667 443 2HB GLU 52 2HB GLU 52 1.414 -8.733 7.277 444 1HG GLU 52 1HG GLU 52 3.703 -6.933 6.499 445 2HG GLU 52 2HG GLU 52 2.216 -6.407 7.280 446 H GLY 53 H GLY 53 2.302 -10.194 3.915 447 1HA GLY 53 1HA GLY 53 2.013 -12.456 3.105 448 2HA GLY 53 2HA GLY 53 1.382 -12.895 4.682 449 H GLY 54 H GLY 54 -0.144 -10.106 4.332 450 1HA GLY 54 1HA GLY 54 -1.902 -10.267 2.210 451 2HA GLY 54 2HA GLY 54 -2.577 -11.321 3.441 452 H TYR 55 H TYR 55 -3.318 -8.628 2.201 453 HA TYR 55 HA TYR 55 -3.199 -6.546 4.009 454 1HB TYR 55 1HB TYR 55 -4.082 -6.059 1.882 455 2HB TYR 55 2HB TYR 55 -5.265 -7.357 1.971 456 HD1 TYR 55 HD2 TYR 55 -4.388 -4.187 3.746 457 HD2 TYR 55 HD1 TYR 55 -7.472 -6.770 2.375 458 HE1 TYR 55 HE2 TYR 55 -6.072 -2.584 4.535 459 HE2 TYR 55 HE1 TYR 55 -9.166 -5.173 3.162 460 HH TYR 55 HH TYR 55 -9.441 -3.372 4.661 461 H GLU 56 H GLU 56 -5.718 -9.053 3.796 462 HA GLU 56 HA GLU 56 -7.431 -8.107 5.740 463 1HB GLU 56 1HB GLU 56 -8.047 -9.939 4.274 464 2HB GLU 56 2HB GLU 56 -6.823 -10.977 4.989 465 1HG GLU 56 1HG GLU 56 -8.921 -9.835 6.772 466 2HG GLU 56 2HG GLU 56 -9.374 -11.141 5.674 467 H ALA 57 H ALA 57 -4.673 -10.316 6.178 468 HA ALA 57 HA ALA 57 -5.075 -10.798 8.910 469 1HB ALA 57 1HB ALA 57 -3.591 -12.165 7.520 470 2HB ALA 57 2HB ALA 57 -2.748 -11.560 8.946 471 3HB ALA 57 3HB ALA 57 -2.471 -10.811 7.373 472 H ILE 58 H ILE 58 -3.084 -8.365 7.260 473 HA ILE 58 HA ILE 58 -1.952 -7.203 9.563 474 HB ILE 58 HB ILE 58 -2.648 -5.661 7.059 475 1HG1 ILE 58 1HG1 ILE 58 -0.176 -7.363 7.471 476 2HG1 ILE 58 2HG1 ILE 58 -1.550 -7.837 6.476 477 1HG2 ILE 58 1HG2 ILE 58 -0.356 -5.409 9.007 478 2HG2 ILE 58 2HG2 ILE 58 -1.769 -4.357 8.927 479 3HG2 ILE 58 3HG2 ILE 58 -0.623 -4.397 7.588 480 1HD1 ILE 58 1HD1 ILE 58 0.217 -5.441 6.023 481 2HD1 ILE 58 2HD1 ILE 58 -1.166 -5.905 5.030 482 3HD1 ILE 58 3HD1 ILE 58 0.249 -6.953 5.116 483 H CYS 59 H CYS 59 -4.982 -6.684 7.888 484 HA CYS 59 HA CYS 59 -5.640 -4.254 9.243 485 1HB CYS 59 1HB CYS 59 -6.459 -4.955 6.944 486 2HB CYS 59 2HB CYS 59 -7.534 -6.096 7.753 487 HG CYS 59 HG CYS 59 -9.374 -4.411 8.458 488 H LYS 60 H LYS 60 -6.659 -7.638 9.541 489 HA LYS 60 HA LYS 60 -8.564 -6.992 11.611 490 1HB LYS 60 1HB LYS 60 -7.664 -9.681 10.545 491 2HB LYS 60 2HB LYS 60 -9.056 -9.400 11.586 492 1HG LYS 60 1HG LYS 60 -8.728 -8.249 8.815 493 2HG LYS 60 2HG LYS 60 -9.632 -9.713 9.189 494 1HD LYS 60 1HD LYS 60 -10.322 -7.191 10.642 495 2HD LYS 60 2HD LYS 60 -10.835 -7.368 8.964 496 1HE LYS 60 1HE LYS 60 -12.597 -8.096 10.478 497 2HE LYS 60 2HE LYS 60 -11.989 -9.456 9.534 498 1HZ LYS 60 1HZ LYS 60 -10.718 -10.186 11.430 499 2HZ LYS 60 2HZ LYS 60 -12.338 -10.005 11.877 500 3HZ LYS 60 3HZ LYS 60 -11.202 -8.840 12.332 501 H ASP 61 H ASP 61 -5.241 -7.852 11.459 502 HA ASP 61 HA ASP 61 -5.242 -8.491 14.339 503 1HB ASP 61 1HB ASP 61 -4.135 -10.108 12.759 504 2HB ASP 61 2HB ASP 61 -2.970 -8.849 12.365 505 H ARG 62 H ARG 62 -4.915 -5.918 12.308 506 HA ARG 62 HA ARG 62 -4.302 -3.765 12.627 507 1HB ARG 62 1HB ARG 62 -4.170 -4.692 15.502 508 2HB ARG 62 2HB ARG 62 -3.972 -3.011 15.020 509 1HG ARG 62 1HG ARG 62 -6.227 -3.040 14.032 510 2HG ARG 62 2HG ARG 62 -6.424 -4.713 14.564 511 1HD ARG 62 1HD ARG 62 -7.490 -3.050 16.077 512 2HD ARG 62 2HD ARG 62 -6.280 -4.054 16.873 513 HE ARG 62 HE ARG 62 -4.814 -1.930 16.210 514 1HH1 ARG 62 1HH1 ARG 62 -7.984 -2.088 17.694 515 2HH1 ARG 62 2HH1 ARG 62 -7.760 -0.629 18.605 516 1HH2 ARG 62 1HH2 ARG 62 -4.518 -0.031 17.399 517 2HH2 ARG 62 2HH2 ARG 62 -5.795 0.560 18.420 518 H ARG 63 H ARG 63 -2.277 -5.461 11.730 519 HA ARG 63 HA ARG 63 0.147 -4.877 13.187 520 1HB ARG 63 1HB ARG 63 -0.359 -6.202 10.521 521 2HB ARG 63 2HB ARG 63 1.255 -5.944 11.169 522 1HG ARG 63 1HG ARG 63 -0.920 -7.572 12.486 523 2HG ARG 63 2HG ARG 63 0.444 -8.220 11.572 524 1HD ARG 63 1HD ARG 63 1.988 -7.161 13.195 525 2HD ARG 63 2HD ARG 63 0.594 -6.617 14.130 526 HE ARG 63 HE ARG 63 0.329 -9.358 13.821 527 1HH1 ARG 63 1HH1 ARG 63 2.573 -7.144 15.345 528 2HH1 ARG 63 2HH1 ARG 63 3.061 -8.286 16.557 529 1HH2 ARG 63 1HH2 ARG 63 0.985 -10.852 15.422 530 2HH2 ARG 63 2HH2 ARG 63 2.172 -10.382 16.597 531 H TRP 64 H TRP 64 -1.786 -3.067 11.190 532 HA TRP 64 HA TRP 64 -0.033 -1.729 9.481 533 1HB TRP 64 1HB TRP 64 -2.474 -0.648 10.908 534 2HB TRP 64 2HB TRP 64 -1.637 0.186 9.604 535 HD1 TRP 64 HD1 TRP 64 -4.582 -1.790 10.082 536 HE1 TRP 64 HE1 TRP 64 -5.342 -2.934 7.911 537 HE3 TRP 64 HE3 TRP 64 -0.292 -1.282 7.331 538 HZ2 TRP 64 HZ2 TRP 64 -4.273 -3.549 5.393 539 HZ3 TRP 64 HZ3 TRP 64 -0.251 -2.181 5.047 540 HH2 TRP 64 HH2 TRP 64 -2.204 -3.297 4.093 541 H ALA 65 H ALA 65 -0.560 -1.384 12.912 542 HA ALA 65 HA ALA 65 0.624 1.111 13.338 543 1HB ALA 65 1HB ALA 65 0.640 -1.286 15.179 544 2HB ALA 65 2HB ALA 65 -0.643 -0.084 15.062 545 3HB ALA 65 3HB ALA 65 0.952 0.387 15.649 546 H ARG 66 H ARG 66 2.087 -2.148 13.403 547 HA ARG 66 HA ARG 66 4.713 -1.244 13.926 548 1HB ARG 66 1HB ARG 66 5.361 -3.452 13.774 549 2HB ARG 66 2HB ARG 66 3.646 -3.650 14.073 550 1HG ARG 66 1HG ARG 66 3.939 -5.155 12.375 551 2HG ARG 66 2HG ARG 66 3.518 -3.724 11.433 552 1HD ARG 66 1HD ARG 66 5.882 -3.280 11.020 553 2HD ARG 66 2HD ARG 66 6.335 -4.654 12.024 554 HE ARG 66 HE ARG 66 4.706 -5.702 10.069 555 1HH1 ARG 66 1HH1 ARG 66 7.675 -3.852 10.131 556 2HH1 ARG 66 2HH1 ARG 66 8.315 -4.567 8.687 557 1HH2 ARG 66 1HH2 ARG 66 5.572 -6.682 8.172 558 2HH2 ARG 66 2HH2 ARG 66 7.129 -6.190 7.587 559 H VAL 67 H VAL 67 2.878 -1.707 10.980 560 HA VAL 67 HA VAL 67 4.969 -1.410 9.111 561 HB VAL 67 HB VAL 67 2.060 -0.600 8.805 562 1HG1 VAL 67 1HG1 VAL 67 4.155 -1.178 6.704 563 2HG1 VAL 67 2HG1 VAL 67 3.467 0.401 7.083 564 3HG1 VAL 67 3HG1 VAL 67 2.448 -0.861 6.391 565 1HG2 VAL 67 1HG2 VAL 67 1.751 -2.806 7.760 566 2HG2 VAL 67 2HG2 VAL 67 2.264 -2.948 9.441 567 3HG2 VAL 67 3HG2 VAL 67 3.425 -3.216 8.141 568 H ALA 68 H ALA 68 2.724 0.946 10.528 569 HA ALA 68 HA ALA 68 3.693 3.245 9.274 570 1HB ALA 68 1HB ALA 68 2.617 4.490 11.091 571 2HB ALA 68 2HB ALA 68 2.459 3.001 12.024 572 3HB ALA 68 3HB ALA 68 1.576 3.190 10.509 573 H GLN 69 H GLN 69 4.631 1.708 12.323 574 HA GLN 69 HA GLN 69 6.573 3.592 13.095 575 1HB GLN 69 1HB GLN 69 6.456 0.628 13.720 576 2HB GLN 69 2HB GLN 69 7.454 1.806 14.561 577 1HG GLN 69 1HG GLN 69 4.450 1.627 14.541 578 2HG GLN 69 2HG GLN 69 5.537 1.371 15.904 579 1HE2 GLN 69 2HE2 GLN 69 6.500 3.170 16.896 580 2HE2 GLN 69 1HE2 GLN 69 5.890 4.770 16.665 581 H ARG 70 H ARG 70 6.730 0.755 11.010 582 HA ARG 70 HA ARG 70 9.547 0.736 10.683 583 1HB ARG 70 1HB ARG 70 7.917 -1.146 10.132 584 2HB ARG 70 2HB ARG 70 7.516 -0.262 8.668 585 1HG ARG 70 1HG ARG 70 10.358 -1.011 9.282 586 2HG ARG 70 2HG ARG 70 9.253 -2.173 8.554 587 1HD ARG 70 1HD ARG 70 8.932 -0.769 6.637 588 2HD ARG 70 2HD ARG 70 9.809 0.557 7.396 589 HE ARG 70 HE ARG 70 11.839 -0.657 7.115 590 1HH1 ARG 70 1HH1 ARG 70 9.088 -2.147 5.549 591 2HH1 ARG 70 2HH1 ARG 70 10.049 -3.071 4.445 592 1HH2 ARG 70 1HH2 ARG 70 13.106 -1.850 5.656 593 2HH2 ARG 70 2HH2 ARG 70 12.344 -2.912 4.513 594 H LEU 71 H LEU 71 6.919 2.417 9.048 595 HA LEU 71 HA LEU 71 8.679 3.670 7.119 596 1HB LEU 71 1HB LEU 71 5.767 3.897 7.776 597 2HB LEU 71 2HB LEU 71 6.533 5.140 6.808 598 HG LEU 71 HG LEU 71 7.183 3.429 5.138 599 1HD1 LEU 71 1HD1 LEU 71 5.560 1.537 6.834 600 2HD1 LEU 71 2HD1 LEU 71 7.307 1.486 6.601 601 3HD1 LEU 71 3HD1 LEU 71 6.228 1.189 5.239 602 1HD2 LEU 71 1HD2 LEU 71 4.231 3.485 5.777 603 2HD2 LEU 71 2HD2 LEU 71 4.945 3.040 4.227 604 3HD2 LEU 71 3HD2 LEU 71 5.117 4.686 4.836 605 H ASN 72 H ASN 72 8.471 4.028 10.292 606 HA ASN 72 HA ASN 72 9.462 5.499 11.691 607 1HB ASN 72 1HB ASN 72 10.102 7.230 9.293 608 2HB ASN 72 2HB ASN 72 10.918 7.217 10.852 609 1HD2 ASN 72 2HD2 ASN 72 10.699 4.167 10.780 610 2HD2 ASN 72 1HD2 ASN 72 12.002 3.694 9.751 611 H TYR 73 H TYR 73 6.624 5.760 10.774 612 HA TYR 73 HA TYR 73 6.017 8.559 11.002 613 1HB TYR 73 1HB TYR 73 4.274 6.091 11.225 614 2HB TYR 73 2HB TYR 73 3.650 7.734 11.341 615 HD1 TYR 73 HD1 TYR 73 5.062 9.166 9.242 616 HD2 TYR 73 HD2 TYR 73 3.502 5.203 9.207 617 HE1 TYR 73 HE1 TYR 73 4.838 9.280 6.796 618 HE2 TYR 73 HE2 TYR 73 3.279 5.308 6.763 619 HH TYR 73 HH TYR 73 4.693 7.783 4.883 620 HA PRO 74 HA PRO 74 6.360 9.114 15.334 621 1HB PRO 74 1HB PRO 74 4.254 10.794 15.873 622 2HB PRO 74 2HB PRO 74 5.751 11.315 15.091 623 1HG PRO 74 1HG PRO 74 3.123 10.578 13.847 624 2HG PRO 74 2HG PRO 74 4.192 11.945 13.474 625 1HD PRO 74 1HD PRO 74 4.155 9.743 11.941 626 2HD PRO 74 2HD PRO 74 5.668 10.622 12.255 627 HA PRO 75 HA PRO 75 3.929 6.130 17.527 628 1HB PRO 75 1HB PRO 75 4.041 8.037 19.823 629 2HB PRO 75 2HB PRO 75 4.515 6.335 19.747 630 1HG PRO 75 1HG PRO 75 6.362 8.253 19.779 631 2HG PRO 75 2HG PRO 75 6.566 6.814 18.762 632 1HD PRO 75 1HD PRO 75 5.750 9.588 17.981 633 2HD PRO 75 2HD PRO 75 6.793 8.435 17.124 634 H GLY 76 H GLY 76 1.871 5.821 18.569 635 1HA GLY 76 1HA GLY 76 -0.205 6.903 19.389 636 2HA GLY 76 2HA GLY 76 -0.032 8.035 18.053 637 H LYS 77 H LYS 77 0.926 5.809 16.309 638 HA LYS 77 HA LYS 77 0.171 4.215 14.882 639 1HB LYS 77 1HB LYS 77 -1.872 3.661 17.047 640 2HB LYS 77 2HB LYS 77 -1.530 2.610 15.677 641 1HG LYS 77 1HG LYS 77 0.703 2.195 16.481 642 2HG LYS 77 2HG LYS 77 0.496 3.373 17.780 643 1HD LYS 77 1HD LYS 77 -1.243 1.987 18.785 644 2HD LYS 77 2HD LYS 77 -1.112 0.829 17.460 645 1HE LYS 77 1HE LYS 77 0.083 0.074 19.476 646 2HE LYS 77 2HE LYS 77 1.170 0.301 18.106 647 1HZ LYS 77 1HZ LYS 77 0.779 2.213 20.350 648 2HZ LYS 77 2HZ LYS 77 1.809 2.449 19.029 649 3HZ LYS 77 3HZ LYS 77 2.117 1.202 20.125 650 H ASN 78 H ASN 78 -1.420 6.951 15.488 651 HA ASN 78 HA ASN 78 -4.012 6.619 14.468 652 1HB ASN 78 1HB ASN 78 -3.144 8.617 15.731 653 2HB ASN 78 2HB ASN 78 -2.285 9.106 14.276 654 1HD2 ASN 78 2HD2 ASN 78 -4.367 10.466 15.796 655 2HD2 ASN 78 1HD2 ASN 78 -5.647 10.787 14.677 656 H ILE 79 H ILE 79 -0.941 7.323 12.890 657 HA ILE 79 HA ILE 79 -1.946 7.886 10.318 658 HB ILE 79 HB ILE 79 0.773 6.718 11.002 659 1HG1 ILE 79 1HG1 ILE 79 1.490 9.180 10.671 660 2HG1 ILE 79 2HG1 ILE 79 -0.209 9.581 10.880 661 1HG2 ILE 79 1HG2 ILE 79 -0.154 8.202 8.535 662 2HG2 ILE 79 2HG2 ILE 79 0.213 6.480 8.636 663 3HG2 ILE 79 3HG2 ILE 79 1.497 7.667 8.859 664 1HD1 ILE 79 1HD1 ILE 79 -0.166 8.615 13.115 665 2HD1 ILE 79 2HD1 ILE 79 1.061 9.868 12.937 666 3HD1 ILE 79 3HD1 ILE 79 1.526 8.169 12.898 667 H GLY 80 H GLY 80 -1.460 4.930 12.045 668 1HA GLY 80 1HA GLY 80 -1.317 3.090 9.915 669 2HA GLY 80 2HA GLY 80 -1.904 2.739 11.535 670 H SER 81 H SER 81 -4.065 4.549 11.597 671 HA SER 81 HA SER 81 -6.092 3.083 10.278 672 1HB SER 81 1HB SER 81 -6.502 4.388 12.347 673 2HB SER 81 2HB SER 81 -6.227 5.883 11.454 674 HG SER 81 HG SER 81 -8.476 4.435 11.669 675 H LEU 82 H LEU 82 -4.546 6.203 9.621 676 HA LEU 82 HA LEU 82 -5.910 6.949 7.313 677 1HB LEU 82 1HB LEU 82 -4.301 8.393 8.511 678 2HB LEU 82 2HB LEU 82 -2.982 7.363 8.005 679 HG LEU 82 HG LEU 82 -4.667 8.693 5.903 680 1HD1 LEU 82 1HD1 LEU 82 -2.417 10.048 7.395 681 2HD1 LEU 82 2HD1 LEU 82 -4.123 10.498 7.460 682 3HD1 LEU 82 3HD1 LEU 82 -3.225 10.661 5.950 683 1HD2 LEU 82 1HD2 LEU 82 -1.721 8.024 6.041 684 2HD2 LEU 82 2HD2 LEU 82 -2.586 8.670 4.642 685 3HD2 LEU 82 3HD2 LEU 82 -2.956 7.053 5.239 686 H LEU 83 H LEU 83 -3.039 4.932 7.702 687 HA LEU 83 HA LEU 83 -2.457 4.413 5.037 688 1HB LEU 83 1HB LEU 83 -0.978 3.876 6.924 689 2HB LEU 83 2HB LEU 83 -2.089 2.625 7.448 690 HG LEU 83 HG LEU 83 -1.628 1.332 5.416 691 1HD1 LEU 83 1HD1 LEU 83 -1.190 3.160 3.874 692 2HD1 LEU 83 2HD1 LEU 83 0.156 2.023 3.882 693 3HD1 LEU 83 3HD1 LEU 83 0.295 3.559 4.739 694 1HD2 LEU 83 1HD2 LEU 83 0.695 0.726 5.915 695 2HD2 LEU 83 2HD2 LEU 83 -0.245 0.944 7.390 696 3HD2 LEU 83 3HD2 LEU 83 0.878 2.201 6.867 697 H ARG 84 H ARG 84 -4.372 2.417 7.291 698 HA ARG 84 HA ARG 84 -5.106 0.440 5.441 699 1HB ARG 84 1HB ARG 84 -5.270 0.273 7.936 700 2HB ARG 84 2HB ARG 84 -6.659 1.343 7.885 701 1HG ARG 84 1HG ARG 84 -6.628 -1.274 6.398 702 2HG ARG 84 2HG ARG 84 -7.075 -1.175 8.098 703 1HD ARG 84 1HD ARG 84 -8.802 0.536 7.428 704 2HD ARG 84 2HD ARG 84 -8.443 0.132 5.751 705 HE ARG 84 HE ARG 84 -9.045 -2.257 6.571 706 1HH1 ARG 84 1HH1 ARG 84 -10.560 0.738 7.554 707 2HH1 ARG 84 2HH1 ARG 84 -12.100 0.007 7.875 708 1HH2 ARG 84 1HH2 ARG 84 -11.086 -3.236 6.988 709 2HH2 ARG 84 2HH2 ARG 84 -12.397 -2.246 7.549 710 H SER 85 H SER 85 -6.721 3.450 6.388 711 HA SER 85 HA SER 85 -9.129 3.047 5.019 712 1HB SER 85 1HB SER 85 -7.722 5.640 5.710 713 2HB SER 85 2HB SER 85 -9.405 5.511 5.194 714 HG SER 85 HG SER 85 -8.680 3.870 7.308 715 H HIS 86 H HIS 86 -6.128 4.658 3.960 716 HA HIS 86 HA HIS 86 -7.154 5.296 1.365 717 1HB HIS 86 1HB HIS 86 -4.329 5.234 2.445 718 2HB HIS 86 2HB HIS 86 -4.714 5.701 0.792 719 HD1 HIS 86 HD1 HIS 86 -6.020 7.969 0.480 720 HD2 HIS 86 HD2 HIS 86 -4.803 7.159 4.363 721 HE1 HIS 86 HE1 HIS 86 -6.183 10.154 1.721 722 HE2 HIS 86 HE2 HIS 86 -5.658 9.583 4.104 723 H TYR 87 H TYR 87 -5.565 2.544 2.782 724 HA TYR 87 HA TYR 87 -4.702 1.232 0.461 725 1HB TYR 87 1HB TYR 87 -4.207 0.534 2.844 726 2HB TYR 87 2HB TYR 87 -5.839 -0.121 2.929 727 HD1 TYR 87 HD2 TYR 87 -6.450 -1.874 1.040 728 HD2 TYR 87 HD1 TYR 87 -2.465 -0.867 2.177 729 HE1 TYR 87 HE2 TYR 87 -5.647 -3.986 0.088 730 HE2 TYR 87 HE1 TYR 87 -1.657 -2.983 1.220 731 HH TYR 87 HH TYR 87 -2.555 -5.227 0.660 732 H GLU 88 H GLU 88 -7.796 1.020 2.203 733 HA GLU 88 HA GLU 88 -9.105 -0.875 0.688 734 1HB GLU 88 1HB GLU 88 -10.285 1.607 1.959 735 2HB GLU 88 2HB GLU 88 -11.211 0.209 1.428 736 1HG GLU 88 1HG GLU 88 -10.102 -1.189 3.065 737 2HG GLU 88 2HG GLU 88 -9.081 0.163 3.561 738 H ARG 89 H ARG 89 -8.647 2.533 -0.022 739 HA ARG 89 HA ARG 89 -10.533 2.485 -2.222 740 1HB ARG 89 1HB ARG 89 -10.314 4.455 -0.715 741 2HB ARG 89 2HB ARG 89 -8.681 4.704 -1.317 742 1HG ARG 89 1HG ARG 89 -10.228 6.220 -2.403 743 2HG ARG 89 2HG ARG 89 -9.578 5.070 -3.577 744 1HD ARG 89 1HD ARG 89 -11.622 3.717 -3.362 745 2HD ARG 89 2HD ARG 89 -12.268 4.891 -2.213 746 HE ARG 89 HE ARG 89 -11.577 5.703 -4.957 747 1HH1 ARG 89 1HH1 ARG 89 -13.943 5.313 -2.400 748 2HH1 ARG 89 2HH1 ARG 89 -15.171 6.215 -3.235 749 1HH2 ARG 89 1HH2 ARG 89 -13.208 6.869 -6.057 750 2HH2 ARG 89 2HH2 ARG 89 -14.756 7.090 -5.301 751 H ILE 90 H ILE 90 -7.030 2.903 -1.799 752 HA ILE 90 HA ILE 90 -6.695 3.099 -4.702 753 HB ILE 90 HB ILE 90 -4.663 3.565 -2.506 754 1HG1 ILE 90 1HG1 ILE 90 -6.510 5.183 -2.374 755 2HG1 ILE 90 2HG1 ILE 90 -5.025 5.964 -2.906 756 1HG2 ILE 90 1HG2 ILE 90 -3.609 2.993 -4.617 757 2HG2 ILE 90 2HG2 ILE 90 -3.359 4.702 -4.259 758 3HG2 ILE 90 3HG2 ILE 90 -4.563 4.219 -5.454 759 1HD1 ILE 90 1HD1 ILE 90 -7.308 5.136 -4.688 760 2HD1 ILE 90 2HD1 ILE 90 -5.832 5.954 -5.202 761 3HD1 ILE 90 3HD1 ILE 90 -6.966 6.773 -4.129 762 H VAL 91 H VAL 91 -5.449 1.212 -1.943 763 HA VAL 91 HA VAL 91 -3.687 -0.246 -3.770 764 HB VAL 91 HB VAL 91 -3.716 -0.469 -0.761 765 1HG1 VAL 91 1HG1 VAL 91 -1.561 -0.992 -2.818 766 2HG1 VAL 91 2HG1 VAL 91 -2.468 -2.212 -1.924 767 3HG1 VAL 91 3HG1 VAL 91 -1.366 -1.134 -1.070 768 1HG2 VAL 91 1HG2 VAL 91 -3.483 1.887 -1.317 769 2HG2 VAL 91 2HG2 VAL 91 -2.185 1.512 -2.451 770 3HG2 VAL 91 3HG2 VAL 91 -1.951 1.244 -0.723 771 H TYR 92 H TYR 92 -6.695 -0.723 -2.219 772 HA TYR 92 HA TYR 92 -6.506 -3.477 -1.637 773 1HB TYR 92 1HB TYR 92 -8.387 -1.698 -1.042 774 2HB TYR 92 2HB TYR 92 -9.141 -2.335 -2.498 775 HD1 TYR 92 HD2 TYR 92 -7.422 -5.074 -1.351 776 HD2 TYR 92 HD1 TYR 92 -10.743 -2.650 -0.230 777 HE1 TYR 92 HE2 TYR 92 -8.333 -6.932 -0.028 778 HE2 TYR 92 HE1 TYR 92 -11.654 -4.502 1.094 779 HH TYR 92 HH TYR 92 -9.867 -7.233 1.914 780 HA PRO 93 HA PRO 93 -8.036 -4.080 -6.300 781 1HB PRO 93 1HB PRO 93 -6.662 -1.645 -7.357 782 2HB PRO 93 2HB PRO 93 -8.153 -2.424 -7.906 783 1HG PRO 93 1HG PRO 93 -8.253 -0.155 -6.525 784 2HG PRO 93 2HG PRO 93 -9.436 -1.445 -6.225 785 1HD PRO 93 1HD PRO 93 -7.025 -0.671 -4.618 786 2HD PRO 93 2HD PRO 93 -8.634 -1.177 -4.064 787 H TYR 94 H TYR 94 -5.087 -2.507 -5.181 788 HA TYR 94 HA TYR 94 -3.333 -3.887 -6.968 789 1HB TYR 94 1HB TYR 94 -2.975 -2.079 -4.623 790 2HB TYR 94 2HB TYR 94 -1.622 -3.114 -5.062 791 HD1 TYR 94 HD2 TYR 94 -3.797 -0.354 -6.239 792 HD2 TYR 94 HD1 TYR 94 -0.335 -2.704 -7.031 793 HE1 TYR 94 HE2 TYR 94 -3.116 1.241 -7.976 794 HE2 TYR 94 HE1 TYR 94 0.350 -1.116 -8.770 795 HH TYR 94 HH TYR 94 -1.018 1.946 -9.130 796 H GLU 95 H GLU 95 -4.666 -4.590 -3.796 797 HA GLU 95 HA GLU 95 -3.035 -6.764 -3.099 798 1HB GLU 95 1HB GLU 95 -4.675 -5.957 -1.508 799 2HB GLU 95 2HB GLU 95 -5.992 -6.279 -2.624 800 1HG GLU 95 1HG GLU 95 -6.030 -7.956 -0.937 801 2HG GLU 95 2HG GLU 95 -5.493 -8.709 -2.434 802 H MET 96 H MET 96 -6.115 -6.752 -4.885 803 HA MET 96 HA MET 96 -6.091 -9.424 -5.711 804 1HB MET 96 1HB MET 96 -7.329 -6.989 -7.017 805 2HB MET 96 2HB MET 96 -7.628 -8.637 -7.549 806 1HG MET 96 1HG MET 96 -8.255 -7.565 -4.805 807 2HG MET 96 2HG MET 96 -9.417 -7.753 -6.117 808 1HE MET 96 1HE MET 96 -10.161 -10.103 -7.112 809 2HE MET 96 2HE MET 96 -9.507 -11.648 -6.570 810 3HE MET 96 3HE MET 96 -8.477 -10.511 -7.440 811 H TYR 97 H TYR 97 -4.702 -6.541 -7.194 812 HA TYR 97 HA TYR 97 -3.938 -7.705 -9.643 813 1HB TYR 97 1HB TYR 97 -4.000 -5.323 -9.505 814 2HB TYR 97 2HB TYR 97 -2.908 -5.303 -8.126 815 HD1 TYR 97 HD2 TYR 97 -2.775 -6.812 -11.564 816 HD2 TYR 97 HD1 TYR 97 -0.871 -4.347 -8.658 817 HE1 TYR 97 HE2 TYR 97 -0.864 -6.510 -13.077 818 HE2 TYR 97 HE1 TYR 97 1.046 -4.044 -10.166 819 HH TYR 97 HH TYR 97 0.961 -4.908 -13.449 820 H GLN 98 H GLN 98 -1.925 -6.968 -6.795 821 HA GLN 98 HA GLN 98 0.389 -8.187 -7.882 822 1HB GLN 98 1HB GLN 98 0.415 -6.365 -6.190 823 2HB GLN 98 2HB GLN 98 -0.195 -7.500 -4.992 824 1HG GLN 98 1HG GLN 98 1.813 -8.795 -5.091 825 2HG GLN 98 2HG GLN 98 2.398 -7.878 -6.479 826 1HE2 GLN 98 2HE2 GLN 98 0.822 -6.424 -3.704 827 2HE2 GLN 98 1HE2 GLN 98 2.217 -5.591 -3.117 828 H SER 99 H SER 99 -1.924 -9.248 -5.376 829 HA SER 99 HA SER 99 -0.732 -11.751 -4.901 830 1HB SER 99 1HB SER 99 -2.484 -10.723 -3.440 831 2HB SER 99 2HB SER 99 -3.683 -11.054 -4.687 832 HG SER 99 HG SER 99 -2.078 -13.147 -3.709 833 H GLY 100 H GLY 100 -3.207 -10.703 -7.218 834 1HA GLY 100 1HA GLY 100 -3.708 -13.243 -8.360 835 2HA GLY 100 2HA GLY 100 -4.029 -11.690 -9.119 836 H ALA 101 H ALA 101 -1.170 -10.907 -8.845 837 HA ALA 101 HA ALA 101 -0.256 -12.051 -11.333 838 1HB ALA 101 1HB ALA 101 1.579 -10.444 -11.161 839 2HB ALA 101 2HB ALA 101 1.073 -10.030 -9.522 840 3HB ALA 101 3HB ALA 101 0.021 -9.664 -10.889 841 H ASN 102 H ASN 102 0.546 -12.353 -7.927 842 HA ASN 102 HA ASN 102 2.897 -14.005 -8.565 843 1HB ASN 102 1HB ASN 102 3.227 -12.200 -6.934 844 2HB ASN 102 2HB ASN 102 1.946 -12.858 -5.923 845 1HD2 ASN 102 2HD2 ASN 102 3.309 -13.132 -4.165 846 2HD2 ASN 102 1HD2 ASN 102 4.526 -14.358 -4.115 847 H LEU 103 H LEU 103 0.217 -14.105 -6.228 848 HA LEU 103 HA LEU 103 -0.752 -16.643 -6.869 849 1HB LEU 103 1HB LEU 103 0.052 -17.959 -4.931 850 2HB LEU 103 2HB LEU 103 1.338 -17.544 -6.042 851 HG LEU 103 HG LEU 103 1.723 -15.548 -4.331 852 1HD1 LEU 103 1HD1 LEU 103 -0.186 -16.048 -2.900 853 2HD1 LEU 103 2HD1 LEU 103 1.329 -16.230 -2.018 854 3HD1 LEU 103 3HD1 LEU 103 0.460 -17.658 -2.581 855 1HD2 LEU 103 1HD2 LEU 103 3.381 -17.224 -4.917 856 2HD2 LEU 103 2HD2 LEU 103 2.620 -18.386 -3.830 857 3HD2 LEU 103 3HD2 LEU 103 3.382 -16.935 -3.177 858 H VAL 104 H VAL 104 -2.734 -16.904 -5.835 859 HA VAL 104 HA VAL 104 -3.344 -14.760 -3.906 860 HB VAL 104 HB VAL 104 -4.232 -14.153 -6.084 861 1HG1 VAL 104 1HG1 VAL 104 -6.009 -15.451 -7.168 862 2HG1 VAL 104 2HG1 VAL 104 -5.819 -16.719 -5.957 863 3HG1 VAL 104 3HG1 VAL 104 -4.501 -16.361 -7.073 864 1HG2 VAL 104 1HG2 VAL 104 -6.412 -14.947 -4.144 865 2HG2 VAL 104 2HG2 VAL 104 -6.561 -13.747 -5.429 866 3HG2 VAL 104 3HG2 VAL 104 -5.456 -13.465 -4.083 867 H CYS 105 H CYS 105 -3.810 -15.546 -2.039 868 HA CYS 105 HA CYS 105 -5.831 -17.692 -1.845 869 1HB CYS 105 1HB CYS 105 -3.650 -18.389 -0.892 870 2HB CYS 105 2HB CYS 105 -3.653 -16.972 0.153 871 HG CYS 105 HG CYS 105 -5.199 -17.902 2.023 872 H ASN 106 H ASN 106 -5.086 -14.486 -1.520 873 HA ASN 106 HA ASN 106 -6.418 -13.797 0.910 874 1HB ASN 106 1HB ASN 106 -5.534 -12.024 -1.390 875 2HB ASN 106 2HB ASN 106 -5.922 -11.494 0.245 876 1HD2 ASN 106 2HD2 ASN 106 -3.804 -10.559 0.276 877 2HD2 ASN 106 1HD2 ASN 106 -2.424 -11.542 0.607 878 H THR 107 H THR 107 -7.572 -14.616 -2.121 879 HA THR 107 HA THR 107 -9.541 -12.651 -2.566 880 HB THR 107 HB THR 107 -8.786 -14.024 -4.397 881 HG1 THR 107 HG1 THR 107 -10.768 -13.455 -4.967 882 1HG2 THR 107 1HG2 THR 107 -9.337 -16.396 -4.592 883 2HG2 THR 107 2HG2 THR 107 -10.076 -16.368 -2.992 884 3HG2 THR 107 3HG2 THR 107 -8.340 -16.104 -3.165 885 H ARG 108 H ARG 108 -9.578 -15.558 -0.566 886 HA ARG 108 HA ARG 108 -12.451 -15.470 -0.256 887 1HB ARG 108 1HB ARG 108 -10.332 -17.137 1.105 888 2HB ARG 108 2HB ARG 108 -12.001 -17.147 1.647 889 1HG ARG 108 1HG ARG 108 -11.809 -19.016 0.260 890 2HG ARG 108 2HG ARG 108 -12.616 -17.806 -0.736 891 1HD ARG 108 1HD ARG 108 -10.887 -18.997 -1.989 892 2HD ARG 108 2HD ARG 108 -10.502 -17.282 -1.832 893 HE ARG 108 HE ARG 108 -9.130 -18.222 0.209 894 1HH1 ARG 108 1HH1 ARG 108 -9.414 -19.604 -3.001 895 2HH1 ARG 108 2HH1 ARG 108 -7.844 -20.336 -2.953 896 1HH2 ARG 108 1HH2 ARG 108 -7.090 -19.180 0.276 897 2HH2 ARG 108 2HH2 ARG 108 -6.531 -20.120 -1.076 898 HA PRO 109 HA PRO 109 -11.317 -13.800 4.172 899 1HB PRO 109 1HB PRO 109 -8.829 -12.666 4.427 900 2HB PRO 109 2HB PRO 109 -9.201 -14.332 4.881 901 1HG PRO 109 1HG PRO 109 -7.959 -13.292 2.356 902 2HG PRO 109 2HG PRO 109 -7.488 -14.692 3.340 903 1HD PRO 109 1HD PRO 109 -8.904 -14.991 1.084 904 2HD PRO 109 2HD PRO 109 -9.209 -16.016 2.503 905 H PHE 110 H PHE 110 -10.522 -12.484 1.134 906 HA PHE 110 HA PHE 110 -10.369 -9.781 1.403 907 1HB PHE 110 1HB PHE 110 -10.538 -11.199 -0.737 908 2HB PHE 110 2HB PHE 110 -12.282 -11.093 -0.548 909 HD1 PHE 110 HD1 PHE 110 -13.141 -8.542 -0.189 910 HD2 PHE 110 HD2 PHE 110 -9.550 -9.714 -2.161 911 HE1 PHE 110 HE1 PHE 110 -13.122 -6.405 -1.426 912 HE2 PHE 110 HE2 PHE 110 -9.534 -7.586 -3.395 913 HZ PHE 110 HZ PHE 110 -11.321 -5.934 -3.033 914 H ASP 111 H ASP 111 -13.419 -11.611 1.183 915 HA ASP 111 HA ASP 111 -15.055 -9.378 1.827 916 1HB ASP 111 1HB ASP 111 -15.659 -12.343 1.768 917 2HB ASP 111 2HB ASP 111 -16.879 -11.096 2.015 918 H ASN 112 H ASN 112 -13.437 -11.783 3.740 919 HA ASN 112 HA ASN 112 -14.977 -11.571 6.097 920 1HB ASN 112 1HB ASN 112 -13.385 -13.383 5.864 921 2HB ASN 112 2HB ASN 112 -12.048 -12.249 5.715 922 1HD2 ASN 112 2HD2 ASN 112 -14.430 -13.585 7.914 923 2HD2 ASN 112 1HD2 ASN 112 -13.594 -13.172 9.368 924 H GLU 113 H GLU 113 -12.225 -9.738 4.864 925 HA GLU 113 HA GLU 113 -12.167 -7.933 7.127 926 1HB GLU 113 1HB GLU 113 -10.247 -8.621 5.434 927 2HB GLU 113 2HB GLU 113 -10.903 -7.314 4.465 928 1HG GLU 113 1HG GLU 113 -9.741 -7.118 7.239 929 2HG GLU 113 2HG GLU 113 -9.034 -6.517 5.744 930 H GLU 114 H GLU 114 -13.124 -7.803 3.743 931 HA GLU 114 HA GLU 114 -13.827 -5.125 3.550 932 1HB GLU 114 1HB GLU 114 -13.469 -6.977 1.757 933 2HB GLU 114 2HB GLU 114 -15.180 -7.306 1.965 934 1HG GLU 114 1HG GLU 114 -14.241 -4.533 1.337 935 2HG GLU 114 2HG GLU 114 -14.371 -5.741 0.063 936 H LYS 115 H LYS 115 -15.745 -7.899 4.605 937 HA LYS 115 HA LYS 115 -18.064 -6.144 5.075 938 1HB LYS 115 1HB LYS 115 -17.883 -9.167 5.191 939 2HB LYS 115 2HB LYS 115 -19.348 -8.222 5.401 940 1HG LYS 115 1HG LYS 115 -17.727 -8.206 2.859 941 2HG LYS 115 2HG LYS 115 -19.041 -9.338 3.160 942 1HD LYS 115 1HD LYS 115 -20.055 -7.630 1.925 943 2HD LYS 115 2HD LYS 115 -20.487 -7.245 3.590 944 1HE LYS 115 1HE LYS 115 -18.763 -5.552 3.688 945 2HE LYS 115 2HE LYS 115 -18.176 -6.009 2.091 946 1HZ LYS 115 1HZ LYS 115 -20.384 -5.353 1.219 947 2HZ LYS 115 2HZ LYS 115 -19.499 -4.073 1.874 948 3HZ LYS 115 3HZ LYS 115 -20.777 -4.751 2.751 949 H ASP 116 H ASP 116 -15.419 -7.388 6.680 950 HA ASP 116 HA ASP 116 -14.815 -7.767 8.830 951 1HB ASP 116 1HB ASP 116 -15.406 -5.373 9.004 952 2HB ASP 116 2HB ASP 116 -17.060 -5.814 9.413 953 H LYS 117 H LYS 117 -15.994 -9.888 8.080 954 HA LYS 117 HA LYS 117 -17.914 -10.613 10.195 955 1HB LYS 117 1HB LYS 117 -18.057 -11.331 7.255 956 2HB LYS 117 2HB LYS 117 -18.992 -12.159 8.495 957 1HG LYS 117 1HG LYS 117 -20.159 -10.120 9.050 958 2HG LYS 117 2HG LYS 117 -19.146 -9.197 7.938 959 1HD LYS 117 1HD LYS 117 -20.062 -10.402 6.044 960 2HD LYS 117 2HD LYS 117 -20.997 -11.442 7.120 961 1HE LYS 117 1HE LYS 117 -21.329 -8.445 6.927 962 2HE LYS 117 2HE LYS 117 -22.328 -9.616 6.068 963 1HZ LYS 117 1HZ LYS 117 -23.106 -10.492 8.142 964 2HZ LYS 117 2HZ LYS 117 -23.333 -8.815 8.153 965 3HZ LYS 117 3HZ LYS 117 -22.056 -9.500 9.021 Start of MODEL 17 1 1H SER 1 1H SER 1 3.835 17.683 -2.179 2 2H SER 1 2H SER 1 3.940 16.106 -1.583 3 3H SER 1 3H SER 1 3.463 16.375 -3.183 4 HA SER 1 HA SER 1 5.610 17.257 -3.725 5 1HB SER 1 1HB SER 1 7.437 16.947 -1.968 6 2HB SER 1 2HB SER 1 6.281 18.242 -1.654 7 HG SER 1 HG SER 1 6.217 17.233 0.223 8 H MET 2 H MET 2 5.899 15.675 -5.163 9 HA MET 2 HA MET 2 5.830 12.879 -4.418 10 1HB MET 2 1HB MET 2 4.883 13.827 -6.563 11 2HB MET 2 2HB MET 2 6.533 14.112 -7.097 12 1HG MET 2 1HG MET 2 5.693 12.084 -8.081 13 2HG MET 2 2HG MET 2 6.977 11.693 -6.936 14 1HE MET 2 1HE MET 2 6.124 9.137 -7.051 15 2HE MET 2 2HE MET 2 4.813 9.600 -8.136 16 3HE MET 2 3HE MET 2 4.466 8.653 -6.689 17 H ASN 3 H ASN 3 8.097 15.274 -4.357 18 HA ASN 3 HA ASN 3 10.425 14.503 -5.466 19 1HB ASN 3 1HB ASN 3 10.120 16.573 -4.172 20 2HB ASN 3 2HB ASN 3 10.113 15.641 -2.678 21 1HD2 ASN 3 2HD2 ASN 3 11.888 16.692 -1.835 22 2HD2 ASN 3 1HD2 ASN 3 13.489 16.466 -2.449 23 H GLU 4 H GLU 4 9.245 13.327 -2.323 24 HA GLU 4 HA GLU 4 11.541 11.888 -1.619 25 1HB GLU 4 1HB GLU 4 9.292 12.477 -0.300 26 2HB GLU 4 2HB GLU 4 8.875 10.835 -0.765 27 1HG GLU 4 1HG GLU 4 11.284 11.688 0.842 28 2HG GLU 4 2HG GLU 4 9.841 10.895 1.463 29 H LEU 5 H LEU 5 8.632 10.809 -3.388 30 HA LEU 5 HA LEU 5 9.774 8.146 -3.663 31 1HB LEU 5 1HB LEU 5 7.304 8.561 -3.240 32 2HB LEU 5 2HB LEU 5 7.200 9.134 -4.896 33 HG LEU 5 HG LEU 5 7.966 6.915 -5.701 34 1HD1 LEU 5 1HD1 LEU 5 7.805 6.115 -2.794 35 2HD1 LEU 5 2HD1 LEU 5 9.270 6.226 -3.770 36 3HD1 LEU 5 3HD1 LEU 5 8.047 5.019 -4.155 37 1HD2 LEU 5 1HD2 LEU 5 5.926 5.664 -5.182 38 2HD2 LEU 5 2HD2 LEU 5 5.577 7.350 -5.565 39 3HD2 LEU 5 3HD2 LEU 5 5.553 6.805 -3.888 40 H GLU 6 H GLU 6 10.007 11.058 -5.296 41 HA GLU 6 HA GLU 6 10.705 9.722 -7.830 42 1HB GLU 6 1HB GLU 6 9.160 11.745 -7.797 43 2HB GLU 6 2HB GLU 6 10.551 12.701 -7.302 44 1HG GLU 6 1HG GLU 6 11.713 12.028 -9.374 45 2HG GLU 6 2HG GLU 6 10.267 11.154 -9.875 46 H ALA 7 H ALA 7 12.089 10.685 -4.979 47 HA ALA 7 HA ALA 7 14.444 12.002 -5.737 48 1HB ALA 7 1HB ALA 7 15.272 11.455 -3.516 49 2HB ALA 7 2HB ALA 7 13.991 10.258 -3.314 50 3HB ALA 7 3HB ALA 7 13.587 11.971 -3.445 51 H GLN 8 H GLN 8 14.351 8.632 -4.521 52 HA GLN 8 HA GLN 8 16.983 8.109 -5.433 53 1HB GLN 8 1HB GLN 8 14.812 6.168 -4.598 54 2HB GLN 8 2HB GLN 8 16.508 5.759 -4.811 55 1HG GLN 8 1HG GLN 8 17.097 7.325 -3.003 56 2HG GLN 8 2HG GLN 8 15.383 7.676 -2.772 57 1HE2 GLN 8 2HE2 GLN 8 17.900 5.298 -2.409 58 2HE2 GLN 8 1HE2 GLN 8 17.030 4.239 -1.355 59 H THR 9 H THR 9 17.730 6.895 -7.171 60 HA THR 9 HA THR 9 15.930 7.073 -9.476 61 HB THR 9 HB THR 9 18.952 6.821 -9.452 62 HG1 THR 9 HG1 THR 9 17.204 9.056 -9.392 63 1HG2 THR 9 1HG2 THR 9 17.035 7.635 -11.652 64 2HG2 THR 9 2HG2 THR 9 17.935 6.119 -11.572 65 3HG2 THR 9 3HG2 THR 9 18.793 7.648 -11.765 66 H ARG 10 H ARG 10 15.644 5.470 -10.931 67 HA ARG 10 HA ARG 10 15.384 3.410 -11.799 68 1HB ARG 10 1HB ARG 10 17.860 3.694 -12.061 69 2HB ARG 10 2HB ARG 10 18.080 2.832 -10.547 70 1HG ARG 10 1HG ARG 10 16.963 0.858 -11.572 71 2HG ARG 10 2HG ARG 10 16.913 1.735 -13.102 72 1HD ARG 10 1HD ARG 10 19.387 0.963 -11.553 73 2HD ARG 10 2HD ARG 10 18.815 0.224 -13.048 74 HE ARG 10 HE ARG 10 19.570 3.072 -12.956 75 1HH1 ARG 10 1HH1 ARG 10 19.956 -0.139 -14.305 76 2HH1 ARG 10 2HH1 ARG 10 21.036 0.383 -15.558 77 1HH2 ARG 10 1HH2 ARG 10 20.996 3.754 -14.606 78 2HH2 ARG 10 2HH2 ARG 10 21.633 2.587 -15.723 79 H VAL 11 H VAL 11 15.303 3.843 -8.541 80 HA VAL 11 HA VAL 11 14.262 1.123 -8.181 81 HB VAL 11 HB VAL 11 15.968 1.521 -6.538 82 1HG1 VAL 11 1HG1 VAL 11 14.491 4.031 -5.748 83 2HG1 VAL 11 2HG1 VAL 11 16.029 3.960 -6.608 84 3HG1 VAL 11 3HG1 VAL 11 15.918 3.371 -4.949 85 1HG2 VAL 11 1HG2 VAL 11 13.998 0.309 -5.749 86 2HG2 VAL 11 2HG2 VAL 11 13.254 1.827 -5.243 87 3HG2 VAL 11 3HG2 VAL 11 14.719 1.255 -4.446 88 H LYS 12 H LYS 12 13.637 4.512 -7.307 89 HA LYS 12 HA LYS 12 10.870 3.875 -6.712 90 1HB LYS 12 1HB LYS 12 12.527 6.385 -6.467 91 2HB LYS 12 2HB LYS 12 10.788 6.382 -6.203 92 1HG LYS 12 1HG LYS 12 11.077 4.713 -4.412 93 2HG LYS 12 2HG LYS 12 12.824 4.780 -4.654 94 1HD LYS 12 1HD LYS 12 12.938 7.035 -3.911 95 2HD LYS 12 2HD LYS 12 11.187 7.228 -3.999 96 1HE LYS 12 1HE LYS 12 10.943 5.585 -2.164 97 2HE LYS 12 2HE LYS 12 12.700 5.482 -2.052 98 1HZ LYS 12 1HZ LYS 12 11.595 7.022 -0.431 99 2HZ LYS 12 2HZ LYS 12 11.220 8.030 -1.731 100 3HZ LYS 12 3HZ LYS 12 12.830 7.719 -1.347 101 H LEU 13 H LEU 13 12.743 5.273 -9.299 102 HA LEU 13 HA LEU 13 10.576 6.610 -10.581 103 1HB LEU 13 1HB LEU 13 13.352 5.835 -11.411 104 2HB LEU 13 2HB LEU 13 12.208 6.362 -12.633 105 HG LEU 13 HG LEU 13 11.938 8.515 -11.476 106 1HD1 LEU 13 1HD1 LEU 13 14.045 7.496 -9.573 107 2HD1 LEU 13 2HD1 LEU 13 12.350 7.792 -9.187 108 3HD1 LEU 13 3HD1 LEU 13 13.401 9.138 -9.625 109 1HD2 LEU 13 1HD2 LEU 13 14.157 9.433 -11.959 110 2HD2 LEU 13 2HD2 LEU 13 13.631 8.315 -13.217 111 3HD2 LEU 13 3HD2 LEU 13 14.821 7.800 -12.021 112 H ASN 14 H ASN 14 12.044 3.399 -10.945 113 HA ASN 14 HA ASN 14 10.482 2.600 -13.171 114 1HB ASN 14 1HB ASN 14 11.752 0.883 -11.010 115 2HB ASN 14 2HB ASN 14 11.142 0.294 -12.554 116 1HD2 ASN 14 2HD2 ASN 14 13.131 -0.496 -13.197 117 2HD2 ASN 14 1HD2 ASN 14 14.447 0.530 -13.643 118 H TYR 15 H TYR 15 10.127 2.139 -9.690 119 HA TYR 15 HA TYR 15 7.705 0.722 -9.684 120 1HB TYR 15 1HB TYR 15 9.296 1.035 -7.744 121 2HB TYR 15 2HB TYR 15 8.681 2.672 -7.576 122 HD1 TYR 15 HD1 TYR 15 7.854 -0.904 -7.222 123 HD2 TYR 15 HD2 TYR 15 6.535 3.089 -6.525 124 HE1 TYR 15 HE1 TYR 15 6.094 -1.749 -5.731 125 HE2 TYR 15 HE2 TYR 15 4.768 2.247 -5.036 126 HH TYR 15 HH TYR 15 4.707 -0.945 -3.874 127 H LEU 16 H LEU 16 8.422 4.185 -9.573 128 HA LEU 16 HA LEU 16 5.853 5.207 -9.237 129 1HB LEU 16 1HB LEU 16 8.061 6.450 -9.178 130 2HB LEU 16 2HB LEU 16 8.049 6.433 -10.927 131 HG LEU 16 HG LEU 16 5.868 7.750 -9.289 132 1HD1 LEU 16 1HD1 LEU 16 8.359 9.005 -10.453 133 2HD1 LEU 16 2HD1 LEU 16 8.004 8.789 -8.738 134 3HD1 LEU 16 3HD1 LEU 16 7.013 9.872 -9.712 135 1HD2 LEU 16 1HD2 LEU 16 5.237 7.261 -11.596 136 2HD2 LEU 16 2HD2 LEU 16 6.696 8.059 -12.183 137 3HD2 LEU 16 3HD2 LEU 16 5.444 8.998 -11.369 138 H ASP 17 H ASP 17 7.632 4.520 -12.231 139 HA ASP 17 HA ASP 17 5.654 5.355 -14.019 140 1HB ASP 17 1HB ASP 17 7.963 4.990 -14.713 141 2HB ASP 17 2HB ASP 17 7.814 3.266 -14.388 142 H GLN 18 H GLN 18 6.303 2.111 -12.694 143 HA GLN 18 HA GLN 18 4.264 0.805 -14.181 144 1HB GLN 18 1HB GLN 18 6.294 -0.202 -12.897 145 2HB GLN 18 2HB GLN 18 5.244 -0.157 -11.490 146 1HG GLN 18 1HG GLN 18 4.584 -1.599 -14.056 147 2HG GLN 18 2HG GLN 18 5.343 -2.358 -12.664 148 1HE2 GLN 18 2HE2 GLN 18 3.722 -0.878 -10.725 149 2HE2 GLN 18 1HE2 GLN 18 2.139 -1.562 -10.801 150 H ILE 19 H ILE 19 4.395 1.963 -10.829 151 HA ILE 19 HA ILE 19 1.813 1.183 -10.049 152 HB ILE 19 HB ILE 19 3.813 2.011 -8.588 153 1HG1 ILE 19 1HG1 ILE 19 2.163 2.899 -6.819 154 2HG1 ILE 19 2HG1 ILE 19 0.912 2.637 -8.031 155 1HG2 ILE 19 1HG2 ILE 19 3.698 4.346 -7.874 156 2HG2 ILE 19 2HG2 ILE 19 2.438 4.654 -9.067 157 3HG2 ILE 19 3HG2 ILE 19 4.062 4.215 -9.593 158 1HD1 ILE 19 1HD1 ILE 19 2.747 0.553 -6.872 159 2HD1 ILE 19 2HD1 ILE 19 1.546 0.267 -8.132 160 3HD1 ILE 19 3HD1 ILE 19 1.032 0.764 -6.522 161 H ALA 20 H ALA 20 3.009 3.948 -11.789 162 HA ALA 20 HA ALA 20 0.628 5.515 -11.609 163 1HB ALA 20 1HB ALA 20 2.886 5.676 -13.615 164 2HB ALA 20 2HB ALA 20 2.810 6.533 -12.076 165 3HB ALA 20 3HB ALA 20 1.644 6.901 -13.346 166 H LYS 21 H LYS 21 2.091 3.677 -14.311 167 HA LYS 21 HA LYS 21 0.048 4.109 -16.139 168 1HB LYS 21 1HB LYS 21 2.017 1.834 -15.893 169 2HB LYS 21 2HB LYS 21 0.902 1.964 -17.244 170 1HG LYS 21 1HG LYS 21 2.776 4.210 -16.562 171 2HG LYS 21 2HG LYS 21 3.309 2.833 -17.522 172 1HD LYS 21 1HD LYS 21 2.671 4.392 -19.135 173 2HD LYS 21 2HD LYS 21 1.262 3.342 -19.017 174 1HE LYS 21 1HE LYS 21 0.507 5.615 -19.103 175 2HE LYS 21 2HE LYS 21 0.234 5.016 -17.469 176 1HZ LYS 21 1HZ LYS 21 1.163 7.244 -17.446 177 2HZ LYS 21 2HZ LYS 21 2.507 6.724 -18.331 178 3HZ LYS 21 3HZ LYS 21 2.258 6.148 -16.764 179 H PHE 22 H PHE 22 0.464 1.236 -14.040 180 HA PHE 22 HA PHE 22 -1.691 -0.209 -15.071 181 1HB PHE 22 1HB PHE 22 -0.072 -1.309 -13.662 182 2HB PHE 22 2HB PHE 22 -0.470 -0.266 -12.301 183 HD1 PHE 22 HD1 PHE 22 -1.710 -3.045 -14.412 184 HD2 PHE 22 HD2 PHE 22 -2.313 -0.749 -10.875 185 HE1 PHE 22 HE1 PHE 22 -3.383 -4.673 -13.636 186 HE2 PHE 22 HE2 PHE 22 -3.981 -2.373 -10.091 187 HZ PHE 22 HZ PHE 22 -4.521 -4.340 -11.476 188 H TRP 23 H TRP 23 -1.641 2.245 -12.547 189 HA TRP 23 HA TRP 23 -4.434 1.720 -11.892 190 1HB TRP 23 1HB TRP 23 -2.829 1.972 -10.056 191 2HB TRP 23 2HB TRP 23 -2.419 3.587 -10.619 192 HD1 TRP 23 HD1 TRP 23 -3.380 5.230 -8.925 193 HE1 TRP 23 HE1 TRP 23 -5.633 5.544 -7.724 194 HE3 TRP 23 HE3 TRP 23 -5.787 1.036 -10.583 195 HZ2 TRP 23 HZ2 TRP 23 -8.100 4.194 -7.498 196 HZ3 TRP 23 HZ3 TRP 23 -8.089 0.621 -9.835 197 HH2 TRP 23 HH2 TRP 23 -9.225 2.169 -8.319 198 H GLU 24 H GLU 24 -2.476 4.085 -13.548 199 HA GLU 24 HA GLU 24 -4.379 6.223 -13.407 200 1HB GLU 24 1HB GLU 24 -1.871 6.471 -13.754 201 2HB GLU 24 2HB GLU 24 -2.118 5.910 -15.400 202 1HG GLU 24 1HG GLU 24 -1.966 8.291 -15.417 203 2HG GLU 24 2HG GLU 24 -3.631 7.839 -15.781 204 H ILE 25 H ILE 25 -3.674 3.596 -15.593 205 HA ILE 25 HA ILE 25 -5.605 4.534 -17.573 206 HB ILE 25 HB ILE 25 -3.989 1.968 -17.594 207 1HG1 ILE 25 1HG1 ILE 25 -2.463 3.877 -17.482 208 2HG1 ILE 25 2HG1 ILE 25 -2.416 3.164 -19.090 209 1HG2 ILE 25 1HG2 ILE 25 -4.392 2.020 -20.021 210 2HG2 ILE 25 2HG2 ILE 25 -5.388 3.460 -19.821 211 3HG2 ILE 25 3HG2 ILE 25 -5.898 1.929 -19.109 212 1HD1 ILE 25 1HD1 ILE 25 -3.891 5.670 -18.304 213 2HD1 ILE 25 2HD1 ILE 25 -3.867 4.955 -19.917 214 3HD1 ILE 25 3HD1 ILE 25 -2.379 5.582 -19.207 215 H GLN 26 H GLN 26 -5.732 2.941 -14.695 216 HA GLN 26 HA GLN 26 -7.681 0.903 -15.365 217 1HB GLN 26 1HB GLN 26 -5.863 1.135 -13.361 218 2HB GLN 26 2HB GLN 26 -7.292 1.733 -12.534 219 1HG GLN 26 1HG GLN 26 -7.055 -0.943 -13.906 220 2HG GLN 26 2HG GLN 26 -6.913 -0.668 -12.173 221 1HE2 GLN 26 2HE2 GLN 26 -8.776 -0.162 -10.987 222 2HE2 GLN 26 1HE2 GLN 26 -10.361 -0.459 -11.605 223 H GLY 27 H GLY 27 -8.361 3.617 -16.094 224 1HA GLY 27 1HA GLY 27 -10.170 5.018 -16.089 225 2HA GLY 27 2HA GLY 27 -11.029 3.756 -15.219 226 H SER 28 H SER 28 -8.120 5.047 -13.877 227 HA SER 28 HA SER 28 -9.536 6.882 -12.107 228 1HB SER 28 1HB SER 28 -7.908 4.549 -11.039 229 2HB SER 28 2HB SER 28 -8.726 5.785 -10.078 230 HG SER 28 HG SER 28 -9.904 3.801 -11.729 231 H SER 29 H SER 29 -7.920 8.034 -10.663 232 HA SER 29 HA SER 29 -5.388 8.400 -12.105 233 1HB SER 29 1HB SER 29 -5.338 10.604 -10.820 234 2HB SER 29 2HB SER 29 -6.602 10.451 -12.039 235 HG SER 29 HG SER 29 -7.611 11.220 -10.261 236 H LEU 30 H LEU 30 -3.428 8.474 -10.958 237 HA LEU 30 HA LEU 30 -3.279 6.741 -8.717 238 1HB LEU 30 1HB LEU 30 -1.470 6.968 -10.378 239 2HB LEU 30 2HB LEU 30 -1.167 8.602 -9.817 240 HG LEU 30 HG LEU 30 -0.465 7.754 -7.631 241 1HD1 LEU 30 1HD1 LEU 30 -1.017 5.017 -8.785 242 2HD1 LEU 30 2HD1 LEU 30 -1.887 5.795 -7.462 243 3HD1 LEU 30 3HD1 LEU 30 -0.197 5.336 -7.257 244 1HD2 LEU 30 1HD2 LEU 30 1.596 6.642 -8.329 245 2HD2 LEU 30 2HD2 LEU 30 1.209 7.993 -9.394 246 3HD2 LEU 30 3HD2 LEU 30 0.899 6.337 -9.921 247 H LYS 31 H LYS 31 -4.359 7.436 -6.975 248 HA LYS 31 HA LYS 31 -3.842 10.122 -5.924 249 1HB LYS 31 1HB LYS 31 -5.949 8.109 -5.099 250 2HB LYS 31 2HB LYS 31 -5.821 9.768 -4.531 251 1HG LYS 31 1HG LYS 31 -6.246 10.577 -6.807 252 2HG LYS 31 2HG LYS 31 -6.391 8.910 -7.367 253 1HD LYS 31 1HD LYS 31 -8.290 8.590 -5.803 254 2HD LYS 31 2HD LYS 31 -8.167 10.290 -5.345 255 1HE LYS 31 1HE LYS 31 -8.791 9.212 -8.098 256 2HE LYS 31 2HE LYS 31 -9.931 9.975 -6.991 257 1HZ LYS 31 1HZ LYS 31 -7.592 11.274 -8.281 258 2HZ LYS 31 2HZ LYS 31 -8.598 12.015 -7.140 259 3HZ LYS 31 3HZ LYS 31 -9.222 11.547 -8.637 260 H ILE 32 H ILE 32 -1.834 9.806 -4.981 261 HA ILE 32 HA ILE 32 -1.842 8.097 -2.580 262 HB ILE 32 HB ILE 32 0.703 8.165 -2.787 263 1HG1 ILE 32 1HG1 ILE 32 -0.022 9.046 -5.601 264 2HG1 ILE 32 2HG1 ILE 32 0.925 9.955 -4.429 265 1HG2 ILE 32 1HG2 ILE 32 0.747 6.262 -4.341 266 2HG2 ILE 32 2HG2 ILE 32 -0.882 6.668 -4.880 267 3HG2 ILE 32 3HG2 ILE 32 -0.608 6.156 -3.215 268 1HD1 ILE 32 1HD1 ILE 32 2.677 8.257 -4.533 269 2HD1 ILE 32 2HD1 ILE 32 2.344 8.957 -6.117 270 3HD1 ILE 32 3HD1 ILE 32 1.725 7.355 -5.714 271 HA PRO 33 HA PRO 33 -1.836 12.359 -1.017 272 1HB PRO 33 1HB PRO 33 -2.788 11.120 1.472 273 2HB PRO 33 2HB PRO 33 -3.600 12.286 0.423 274 1HG PRO 33 1HG PRO 33 -4.415 9.720 0.619 275 2HG PRO 33 2HG PRO 33 -4.554 10.645 -0.888 276 1HD PRO 33 1HD PRO 33 -2.477 8.621 -0.093 277 2HD PRO 33 2HD PRO 33 -3.339 8.802 -1.638 278 H ASN 34 H ASN 34 -1.189 13.200 1.295 279 HA ASN 34 HA ASN 34 1.252 11.817 2.185 280 1HB ASN 34 1HB ASN 34 2.372 13.910 2.515 281 2HB ASN 34 2HB ASN 34 1.744 13.913 0.874 282 1HD2 ASN 34 2HD2 ASN 34 0.093 15.343 0.330 283 2HD2 ASN 34 1HD2 ASN 34 -0.384 16.643 1.363 284 H VAL 35 H VAL 35 1.856 12.219 4.330 285 HA VAL 35 HA VAL 35 -0.012 13.461 6.114 286 HB VAL 35 HB VAL 35 -0.999 11.215 5.882 287 1HG1 VAL 35 1HG1 VAL 35 0.178 9.223 6.647 288 2HG1 VAL 35 2HG1 VAL 35 1.633 10.179 6.929 289 3HG1 VAL 35 3HG1 VAL 35 1.016 9.974 5.289 290 1HG2 VAL 35 1HG2 VAL 35 -1.218 12.377 8.019 291 2HG2 VAL 35 2HG2 VAL 35 0.285 11.646 8.580 292 3HG2 VAL 35 3HG2 VAL 35 -1.119 10.632 8.256 293 H GLU 36 H GLU 36 1.023 14.245 7.896 294 HA GLU 36 HA GLU 36 2.684 14.833 9.308 295 1HB GLU 36 1HB GLU 36 3.602 12.000 8.795 296 2HB GLU 36 2HB GLU 36 4.280 13.058 10.027 297 1HG GLU 36 1HG GLU 36 1.472 11.988 9.871 298 2HG GLU 36 2HG GLU 36 2.695 11.624 11.084 299 H ARG 37 H ARG 37 2.949 15.113 6.375 300 HA ARG 37 HA ARG 37 4.311 16.352 5.056 301 1HB ARG 37 1HB ARG 37 6.260 16.136 7.355 302 2HB ARG 37 2HB ARG 37 6.688 16.898 5.833 303 1HG ARG 37 1HG ARG 37 6.075 18.630 7.323 304 2HG ARG 37 2HG ARG 37 4.756 18.463 6.167 305 1HD ARG 37 1HD ARG 37 3.466 17.191 7.807 306 2HD ARG 37 2HD ARG 37 4.798 17.302 8.957 307 HE ARG 37 HE ARG 37 3.950 19.878 8.082 308 1HH1 ARG 37 1HH1 ARG 37 3.121 17.268 10.262 309 2HH1 ARG 37 2HH1 ARG 37 2.270 18.290 11.373 310 1HH2 ARG 37 1HH2 ARG 37 2.815 21.226 9.532 311 2HH2 ARG 37 2HH2 ARG 37 2.070 20.537 10.942 312 H ARG 38 H ARG 38 4.397 13.246 5.580 313 HA ARG 38 HA ARG 38 6.488 12.829 3.541 314 1HB ARG 38 1HB ARG 38 5.653 11.086 5.841 315 2HB ARG 38 2HB ARG 38 6.318 10.356 4.385 316 1HG ARG 38 1HG ARG 38 8.278 11.966 4.679 317 2HG ARG 38 2HG ARG 38 7.654 12.235 6.311 318 1HD ARG 38 1HD ARG 38 9.410 10.491 6.239 319 2HD ARG 38 2HD ARG 38 7.862 9.867 6.813 320 HE ARG 38 HE ARG 38 7.666 8.592 4.895 321 1HH1 ARG 38 1HH1 ARG 38 10.461 10.683 4.657 322 2HH1 ARG 38 2HH1 ARG 38 11.075 9.919 3.226 323 1HH2 ARG 38 1HH2 ARG 38 8.453 7.601 2.979 324 2HH2 ARG 38 2HH2 ARG 38 9.902 8.197 2.235 325 H ILE 39 H ILE 39 6.006 11.580 1.790 326 HA ILE 39 HA ILE 39 3.262 11.426 1.004 327 HB ILE 39 HB ILE 39 5.045 11.807 -0.649 328 1HG1 ILE 39 1HG1 ILE 39 3.582 9.191 -1.115 329 2HG1 ILE 39 2HG1 ILE 39 2.916 10.797 -1.390 330 1HG2 ILE 39 1HG2 ILE 39 6.802 10.439 0.356 331 2HG2 ILE 39 2HG2 ILE 39 6.557 10.006 -1.336 332 3HG2 ILE 39 3HG2 ILE 39 5.913 8.973 -0.059 333 1HD1 ILE 39 1HD1 ILE 39 3.600 9.780 -3.472 334 2HD1 ILE 39 2HD1 ILE 39 5.237 9.558 -2.856 335 3HD1 ILE 39 3HD1 ILE 39 4.609 11.184 -3.122 336 H LEU 40 H LEU 40 2.006 9.547 0.676 337 HA LEU 40 HA LEU 40 2.371 7.490 2.606 338 1HB LEU 40 1HB LEU 40 0.176 8.369 1.595 339 2HB LEU 40 2HB LEU 40 0.532 7.348 0.214 340 HG LEU 40 HG LEU 40 0.534 5.364 1.721 341 1HD1 LEU 40 1HD1 LEU 40 -0.389 5.590 3.983 342 2HD1 LEU 40 2HD1 LEU 40 -0.411 7.344 3.801 343 3HD1 LEU 40 3HD1 LEU 40 1.124 6.476 3.809 344 1HD2 LEU 40 1HD2 LEU 40 -1.890 5.270 2.035 345 2HD2 LEU 40 2HD2 LEU 40 -1.479 5.967 0.469 346 3HD2 LEU 40 3HD2 LEU 40 -1.998 7.015 1.790 347 H ASP 41 H ASP 41 4.198 6.297 2.331 348 HA ASP 41 HA ASP 41 5.226 5.633 -0.246 349 1HB ASP 41 1HB ASP 41 6.746 6.017 1.629 350 2HB ASP 41 2HB ASP 41 6.065 4.641 2.490 351 H LEU 42 H LEU 42 4.062 4.315 -1.437 352 HA LEU 42 HA LEU 42 2.586 2.084 -0.456 353 1HB LEU 42 1HB LEU 42 2.439 3.603 -2.673 354 2HB LEU 42 2HB LEU 42 3.355 2.269 -3.335 355 HG LEU 42 HG LEU 42 0.672 1.957 -1.969 356 1HD1 LEU 42 1HD1 LEU 42 -0.261 1.684 -4.217 357 2HD1 LEU 42 2HD1 LEU 42 1.308 2.084 -4.917 358 3HD1 LEU 42 3HD1 LEU 42 0.423 3.293 -3.988 359 1HD2 LEU 42 1HD2 LEU 42 0.671 -0.253 -3.054 360 2HD2 LEU 42 2HD2 LEU 42 2.001 -0.074 -1.913 361 3HD2 LEU 42 3HD2 LEU 42 2.304 0.047 -3.646 362 H TYR 43 H TYR 43 5.839 2.582 -1.460 363 HA TYR 43 HA TYR 43 6.584 0.085 -2.439 364 1HB TYR 43 1HB TYR 43 7.889 2.483 -1.770 365 2HB TYR 43 2HB TYR 43 8.687 1.258 -0.793 366 HD1 TYR 43 HD2 TYR 43 9.012 -1.055 -2.335 367 HD2 TYR 43 HD1 TYR 43 9.014 2.977 -3.708 368 HE1 TYR 43 HE2 TYR 43 10.354 -1.722 -4.284 369 HE2 TYR 43 HE1 TYR 43 10.344 2.321 -5.659 370 HH TYR 43 HH TYR 43 11.806 0.575 -6.400 371 H SER 44 H SER 44 7.418 1.223 0.835 372 HA SER 44 HA SER 44 8.052 -1.306 1.837 373 1HB SER 44 1HB SER 44 7.087 1.104 3.405 374 2HB SER 44 2HB SER 44 8.001 -0.260 4.049 375 HG SER 44 HG SER 44 8.836 1.849 2.402 376 H LEU 45 H LEU 45 5.041 0.512 1.862 377 HA LEU 45 HA LEU 45 3.451 -1.049 3.478 378 1HB LEU 45 1HB LEU 45 2.564 0.980 2.610 379 2HB LEU 45 2HB LEU 45 2.847 0.484 0.953 380 HG LEU 45 HG LEU 45 1.070 -1.251 1.212 381 1HD1 LEU 45 1HD1 LEU 45 0.561 0.113 3.854 382 2HD1 LEU 45 2HD1 LEU 45 1.150 -1.534 3.624 383 3HD1 LEU 45 3HD1 LEU 45 -0.476 -1.099 3.100 384 1HD2 LEU 45 1HD2 LEU 45 0.217 1.598 1.736 385 2HD2 LEU 45 2HD2 LEU 45 -0.809 0.318 1.090 386 3HD2 LEU 45 3HD2 LEU 45 0.576 0.888 0.163 387 H SER 46 H SER 46 3.864 -1.394 -0.045 388 HA SER 46 HA SER 46 2.181 -3.631 -0.271 389 1HB SER 46 1HB SER 46 3.244 -3.901 -2.540 390 2HB SER 46 2HB SER 46 2.617 -2.286 -2.218 391 HG SER 46 HG SER 46 4.810 -1.705 -1.635 392 H LYS 47 H LYS 47 5.718 -3.359 0.058 393 HA LYS 47 HA LYS 47 6.106 -6.162 -0.347 394 1HB LYS 47 1HB LYS 47 8.421 -5.780 0.160 395 2HB LYS 47 2HB LYS 47 7.840 -4.468 -0.854 396 1HG LYS 47 1HG LYS 47 7.590 -3.082 1.211 397 2HG LYS 47 2HG LYS 47 8.376 -4.386 2.108 398 1HD LYS 47 1HD LYS 47 10.239 -4.153 0.287 399 2HD LYS 47 2HD LYS 47 9.521 -2.564 0.014 400 1HE LYS 47 1HE LYS 47 11.332 -2.326 1.572 401 2HE LYS 47 2HE LYS 47 9.818 -2.086 2.444 402 1HZ LYS 47 1HZ LYS 47 9.961 -4.382 3.219 403 2HZ LYS 47 2HZ LYS 47 11.315 -3.491 3.698 404 3HZ LYS 47 3HZ LYS 47 11.431 -4.580 2.408 405 H ILE 48 H ILE 48 5.501 -4.167 2.477 406 HA ILE 48 HA ILE 48 6.141 -6.241 4.369 407 HB ILE 48 HB ILE 48 4.500 -3.718 4.706 408 1HG1 ILE 48 1HG1 ILE 48 7.322 -4.444 5.558 409 2HG1 ILE 48 2HG1 ILE 48 6.875 -3.307 4.289 410 1HG2 ILE 48 1HG2 ILE 48 5.412 -5.699 6.804 411 2HG2 ILE 48 2HG2 ILE 48 3.746 -5.389 6.315 412 3HG2 ILE 48 3HG2 ILE 48 4.671 -4.133 7.138 413 1HD1 ILE 48 1HD1 ILE 48 7.560 -2.148 6.301 414 2HD1 ILE 48 2HD1 ILE 48 6.314 -2.980 7.229 415 3HD1 ILE 48 3HD1 ILE 48 5.857 -1.844 5.958 416 H VAL 49 H VAL 49 3.200 -5.115 2.738 417 HA VAL 49 HA VAL 49 1.374 -6.848 3.991 418 HB VAL 49 HB VAL 49 1.359 -5.797 1.138 419 1HG1 VAL 49 1HG1 VAL 49 -0.871 -7.120 2.698 420 2HG1 VAL 49 2HG1 VAL 49 -0.047 -7.783 1.288 421 3HG1 VAL 49 3HG1 VAL 49 -1.045 -6.339 1.125 422 1HG2 VAL 49 1HG2 VAL 49 1.281 -4.044 2.856 423 2HG2 VAL 49 2HG2 VAL 49 -0.107 -4.834 3.604 424 3HG2 VAL 49 3HG2 VAL 49 -0.247 -4.155 1.983 425 H VAL 50 H VAL 50 3.614 -7.307 1.296 426 HA VAL 50 HA VAL 50 2.888 -9.999 0.724 427 HB VAL 50 HB VAL 50 5.500 -8.548 0.211 428 1HG1 VAL 50 1HG1 VAL 50 5.847 -10.966 0.183 429 2HG1 VAL 50 2HG1 VAL 50 5.957 -10.304 -1.448 430 3HG1 VAL 50 3HG1 VAL 50 4.501 -11.161 -0.941 431 1HG2 VAL 50 1HG2 VAL 50 4.657 -8.280 -2.073 432 2HG2 VAL 50 2HG2 VAL 50 3.573 -7.522 -0.907 433 3HG2 VAL 50 3HG2 VAL 50 3.152 -9.079 -1.620 434 H GLU 51 H GLU 51 5.222 -8.521 2.947 435 HA GLU 51 HA GLU 51 6.596 -10.783 3.815 436 1HB GLU 51 1HB GLU 51 7.203 -8.515 4.545 437 2HB GLU 51 2HB GLU 51 5.706 -8.391 5.459 438 1HG GLU 51 1HG GLU 51 6.478 -10.314 6.854 439 2HG GLU 51 2HG GLU 51 8.023 -10.240 6.011 440 H GLU 52 H GLU 52 3.589 -9.387 5.059 441 HA GLU 52 HA GLU 52 3.063 -11.600 6.819 442 1HB GLU 52 1HB GLU 52 1.958 -8.959 6.295 443 2HB GLU 52 2HB GLU 52 0.678 -10.144 6.481 444 1HG GLU 52 1HG GLU 52 2.896 -9.593 8.451 445 2HG GLU 52 2HG GLU 52 1.222 -9.064 8.595 446 H GLY 53 H GLY 53 2.159 -10.661 3.588 447 1HA GLY 53 1HA GLY 53 1.172 -11.851 1.895 448 2HA GLY 53 2HA GLY 53 1.270 -13.279 2.914 449 H GLY 54 H GLY 54 -0.438 -10.203 3.471 450 1HA GLY 54 1HA GLY 54 -2.969 -10.938 2.639 451 2HA GLY 54 2HA GLY 54 -2.821 -11.526 4.290 452 H TYR 55 H TYR 55 -3.608 -8.898 2.351 453 HA TYR 55 HA TYR 55 -3.071 -6.652 3.860 454 1HB TYR 55 1HB TYR 55 -4.081 -6.551 1.656 455 2HB TYR 55 2HB TYR 55 -5.525 -7.367 2.233 456 HD1 TYR 55 HD2 TYR 55 -3.790 -4.577 3.976 457 HD2 TYR 55 HD1 TYR 55 -7.127 -5.761 1.628 458 HE1 TYR 55 HE2 TYR 55 -4.854 -2.399 4.397 459 HE2 TYR 55 HE1 TYR 55 -8.195 -3.590 2.034 460 HH TYR 55 HH TYR 55 -8.125 -1.792 3.654 461 H GLU 56 H GLU 56 -6.182 -8.415 3.994 462 HA GLU 56 HA GLU 56 -7.068 -7.277 6.386 463 1HB GLU 56 1HB GLU 56 -7.832 -9.669 4.785 464 2HB GLU 56 2HB GLU 56 -8.434 -9.581 6.436 465 1HG GLU 56 1HG GLU 56 -9.949 -8.659 4.649 466 2HG GLU 56 2HG GLU 56 -9.621 -7.594 6.013 467 H ALA 57 H ALA 57 -4.718 -9.774 5.909 468 HA ALA 57 HA ALA 57 -4.944 -11.013 8.464 469 1HB ALA 57 1HB ALA 57 -2.697 -11.896 8.033 470 2HB ALA 57 2HB ALA 57 -2.519 -10.797 6.664 471 3HB ALA 57 3HB ALA 57 -3.729 -12.079 6.614 472 H ILE 58 H ILE 58 -2.989 -8.367 7.170 473 HA ILE 58 HA ILE 58 -1.679 -7.741 9.622 474 HB ILE 58 HB ILE 58 -2.151 -5.942 7.236 475 1HG1 ILE 58 1HG1 ILE 58 0.144 -7.818 7.865 476 2HG1 ILE 58 2HG1 ILE 58 -1.021 -8.001 6.559 477 1HG2 ILE 58 1HG2 ILE 58 -1.489 -4.733 9.259 478 2HG2 ILE 58 2HG2 ILE 58 -0.216 -4.695 8.039 479 3HG2 ILE 58 3HG2 ILE 58 -0.079 -5.780 9.420 480 1HD1 ILE 58 1HD1 ILE 58 1.108 -7.180 5.753 481 2HD1 ILE 58 2HD1 ILE 58 0.994 -5.784 6.825 482 3HD1 ILE 58 3HD1 ILE 58 -0.163 -5.983 5.506 483 H CYS 59 H CYS 59 -4.597 -6.592 7.993 484 HA CYS 59 HA CYS 59 -5.268 -4.518 9.766 485 1HB CYS 59 1HB CYS 59 -7.116 -6.333 8.187 486 2HB CYS 59 2HB CYS 59 -7.576 -4.800 8.921 487 HG CYS 59 HG CYS 59 -6.999 -5.003 5.951 488 H LYS 60 H LYS 60 -5.917 -7.984 9.852 489 HA LYS 60 HA LYS 60 -7.665 -7.917 12.088 490 1HB LYS 60 1HB LYS 60 -7.265 -9.776 10.277 491 2HB LYS 60 2HB LYS 60 -6.013 -10.329 11.379 492 1HG LYS 60 1HG LYS 60 -8.000 -11.582 11.803 493 2HG LYS 60 2HG LYS 60 -7.744 -10.489 13.168 494 1HD LYS 60 1HD LYS 60 -9.409 -8.949 12.287 495 2HD LYS 60 2HD LYS 60 -9.610 -9.948 10.848 496 1HE LYS 60 1HE LYS 60 -10.409 -11.796 12.297 497 2HE LYS 60 2HE LYS 60 -10.300 -10.715 13.686 498 1HZ LYS 60 1HZ LYS 60 -12.021 -10.313 11.300 499 2HZ LYS 60 2HZ LYS 60 -11.913 -9.258 12.615 500 3HZ LYS 60 3HZ LYS 60 -12.549 -10.810 12.828 501 H ASP 61 H ASP 61 -4.198 -8.445 11.690 502 HA ASP 61 HA ASP 61 -3.760 -8.839 14.529 503 1HB ASP 61 1HB ASP 61 -2.373 -10.052 12.923 504 2HB ASP 61 2HB ASP 61 -1.818 -8.535 12.222 505 H ARG 62 H ARG 62 -4.124 -6.179 12.490 506 HA ARG 62 HA ARG 62 -3.853 -3.939 12.723 507 1HB ARG 62 1HB ARG 62 -4.953 -4.345 14.900 508 2HB ARG 62 2HB ARG 62 -3.386 -4.637 15.639 509 1HG ARG 62 1HG ARG 62 -2.744 -2.348 15.354 510 2HG ARG 62 2HG ARG 62 -4.168 -2.015 14.367 511 1HD ARG 62 1HD ARG 62 -4.305 -2.912 17.248 512 2HD ARG 62 2HD ARG 62 -4.301 -1.218 16.753 513 HE ARG 62 HE ARG 62 -6.330 -2.116 15.314 514 1HH1 ARG 62 1HH1 ARG 62 -5.569 -2.785 18.670 515 2HH1 ARG 62 2HH1 ARG 62 -7.232 -2.936 19.143 516 1HH2 ARG 62 1HH2 ARG 62 -8.507 -2.313 15.934 517 2HH2 ARG 62 2HH2 ARG 62 -8.900 -2.677 17.584 518 H ARG 63 H ARG 63 -1.635 -5.561 11.936 519 HA ARG 63 HA ARG 63 0.730 -4.692 13.327 520 1HB ARG 63 1HB ARG 63 0.649 -6.888 12.237 521 2HB ARG 63 2HB ARG 63 0.435 -6.121 10.672 522 1HG ARG 63 1HG ARG 63 2.665 -5.066 10.925 523 2HG ARG 63 2HG ARG 63 2.875 -5.943 12.440 524 1HD ARG 63 1HD ARG 63 2.401 -7.245 9.758 525 2HD ARG 63 2HD ARG 63 3.991 -6.993 10.477 526 HE ARG 63 HE ARG 63 2.087 -8.464 12.101 527 1HH1 ARG 63 1HH1 ARG 63 4.743 -8.625 9.813 528 2HH1 ARG 63 2HH1 ARG 63 5.146 -10.264 10.207 529 1HH2 ARG 63 1HH2 ARG 63 2.618 -10.603 12.619 530 2HH2 ARG 63 2HH2 ARG 63 3.936 -11.392 11.810 531 H TRP 64 H TRP 64 -1.290 -3.025 11.357 532 HA TRP 64 HA TRP 64 0.434 -1.647 9.607 533 1HB TRP 64 1HB TRP 64 -2.061 -0.588 10.971 534 2HB TRP 64 2HB TRP 64 -1.271 0.131 9.574 535 HD1 TRP 64 HD1 TRP 64 -4.210 -1.718 10.246 536 HE1 TRP 64 HE1 TRP 64 -4.986 -3.144 8.251 537 HE3 TRP 64 HE3 TRP 64 0.120 -1.743 7.472 538 HZ2 TRP 64 HZ2 TRP 64 -3.936 -4.130 5.852 539 HZ3 TRP 64 HZ3 TRP 64 0.128 -2.946 5.337 540 HH2 TRP 64 HH2 TRP 64 -1.857 -4.121 4.545 541 H ALA 65 H ALA 65 0.078 -1.515 13.034 542 HA ALA 65 HA ALA 65 1.230 1.008 13.553 543 1HB ALA 65 1HB ALA 65 1.431 -1.544 15.168 544 2HB ALA 65 2HB ALA 65 0.147 -0.343 15.293 545 3HB ALA 65 3HB ALA 65 1.796 0.078 15.756 546 H ARG 66 H ARG 66 2.679 -2.221 13.346 547 HA ARG 66 HA ARG 66 5.369 -1.606 13.464 548 1HB ARG 66 1HB ARG 66 5.115 -3.871 13.453 549 2HB ARG 66 2HB ARG 66 3.697 -3.806 12.423 550 1HG ARG 66 1HG ARG 66 5.235 -4.985 11.157 551 2HG ARG 66 2HG ARG 66 5.347 -3.356 10.503 552 1HD ARG 66 1HD ARG 66 7.342 -2.974 11.942 553 2HD ARG 66 2HD ARG 66 7.251 -4.662 12.450 554 HE ARG 66 HE ARG 66 8.375 -3.680 10.049 555 1HH1 ARG 66 1HH1 ARG 66 6.534 -6.404 11.299 556 2HH1 ARG 66 2HH1 ARG 66 7.000 -7.455 9.996 557 1HH2 ARG 66 1HH2 ARG 66 8.989 -5.091 8.365 558 2HH2 ARG 66 2HH2 ARG 66 8.382 -6.722 8.346 559 H VAL 67 H VAL 67 3.257 -1.647 10.592 560 HA VAL 67 HA VAL 67 5.354 -1.109 8.760 561 HB VAL 67 HB VAL 67 3.755 -0.929 7.066 562 1HG1 VAL 67 1HG1 VAL 67 2.172 -2.742 7.426 563 2HG1 VAL 67 2HG1 VAL 67 2.450 -2.651 9.165 564 3HG1 VAL 67 3HG1 VAL 67 3.757 -3.141 8.087 565 1HG2 VAL 67 1HG2 VAL 67 1.404 -0.370 7.368 566 2HG2 VAL 67 2HG2 VAL 67 2.443 0.913 7.987 567 3HG2 VAL 67 3HG2 VAL 67 1.658 -0.203 9.103 568 H ALA 68 H ALA 68 3.079 0.965 10.501 569 HA ALA 68 HA ALA 68 3.798 3.396 9.251 570 1HB ALA 68 1HB ALA 68 1.731 3.143 10.545 571 2HB ALA 68 2HB ALA 68 2.702 4.487 11.146 572 3HB ALA 68 3HB ALA 68 2.675 2.956 12.023 573 H GLN 69 H GLN 69 5.084 1.614 11.990 574 HA GLN 69 HA GLN 69 6.874 3.602 12.919 575 1HB GLN 69 1HB GLN 69 6.124 1.519 14.157 576 2HB GLN 69 2HB GLN 69 7.215 0.595 13.138 577 1HG GLN 69 1HG GLN 69 8.168 2.879 14.847 578 2HG GLN 69 2HG GLN 69 8.024 1.237 15.464 579 1HE2 GLN 69 2HE2 GLN 69 10.388 2.953 15.115 580 2HE2 GLN 69 1HE2 GLN 69 11.476 2.052 14.111 581 H ARG 70 H ARG 70 7.151 0.990 10.549 582 HA ARG 70 HA ARG 70 9.883 1.303 9.926 583 1HB ARG 70 1HB ARG 70 8.102 -0.518 9.212 584 2HB ARG 70 2HB ARG 70 7.874 0.528 7.822 585 1HG ARG 70 1HG ARG 70 10.531 -0.654 8.636 586 2HG ARG 70 2HG ARG 70 9.440 -1.387 7.468 587 1HD ARG 70 1HD ARG 70 10.911 -0.269 6.088 588 2HD ARG 70 2HD ARG 70 9.626 0.925 6.256 589 HE ARG 70 HE ARG 70 11.390 1.533 8.255 590 1HH1 ARG 70 1HH1 ARG 70 11.627 1.226 4.773 591 2HH1 ARG 70 2HH1 ARG 70 12.944 2.345 4.633 592 1HH2 ARG 70 1HH2 ARG 70 13.097 3.015 8.085 593 2HH2 ARG 70 2HH2 ARG 70 13.773 3.388 6.529 594 H LEU 71 H LEU 71 6.960 2.737 8.472 595 HA LEU 71 HA LEU 71 8.408 4.345 6.607 596 1HB LEU 71 1HB LEU 71 5.545 4.249 7.503 597 2HB LEU 71 2HB LEU 71 6.107 5.578 6.509 598 HG LEU 71 HG LEU 71 6.786 3.976 4.751 599 1HD1 LEU 71 1HD1 LEU 71 6.076 1.648 4.856 600 2HD1 LEU 71 2HD1 LEU 71 5.502 1.886 6.507 601 3HD1 LEU 71 3HD1 LEU 71 7.223 2.021 6.143 602 1HD2 LEU 71 1HD2 LEU 71 3.908 3.715 5.625 603 2HD2 LEU 71 2HD2 LEU 71 4.532 3.374 4.010 604 3HD2 LEU 71 3HD2 LEU 71 4.587 5.018 4.647 605 H ASN 72 H ASN 72 8.251 4.574 9.870 606 HA ASN 72 HA ASN 72 9.221 6.057 11.278 607 1HB ASN 72 1HB ASN 72 9.768 7.717 8.802 608 2HB ASN 72 2HB ASN 72 10.475 7.985 10.392 609 1HD2 ASN 72 2HD2 ASN 72 10.552 6.114 7.512 610 2HD2 ASN 72 1HD2 ASN 72 11.972 5.202 7.879 611 H TYR 73 H TYR 73 6.371 6.190 10.589 612 HA TYR 73 HA TYR 73 5.623 8.952 10.714 613 1HB TYR 73 1HB TYR 73 4.056 6.404 11.168 614 2HB TYR 73 2HB TYR 73 3.335 8.008 11.283 615 HD1 TYR 73 HD1 TYR 73 4.204 9.533 9.107 616 HD2 TYR 73 HD2 TYR 73 3.507 5.332 9.179 617 HE1 TYR 73 HE1 TYR 73 3.820 9.560 6.681 618 HE2 TYR 73 HE2 TYR 73 3.124 5.351 6.751 619 HH TYR 73 HH TYR 73 3.858 8.068 4.786 620 HA PRO 74 HA PRO 74 6.449 10.033 14.850 621 1HB PRO 74 1HB PRO 74 3.695 11.219 14.844 622 2HB PRO 74 2HB PRO 74 5.238 11.952 15.310 623 1HG PRO 74 1HG PRO 74 4.151 12.539 12.964 624 2HG PRO 74 2HG PRO 74 5.901 12.272 13.097 625 1HD PRO 74 1HD PRO 74 3.782 10.461 12.008 626 2HD PRO 74 2HD PRO 74 5.446 10.721 11.443 627 HA PRO 75 HA PRO 75 5.046 7.102 17.812 628 1HB PRO 75 1HB PRO 75 4.647 9.512 19.559 629 2HB PRO 75 2HB PRO 75 5.444 7.975 19.929 630 1HG PRO 75 1HG PRO 75 6.896 10.121 19.358 631 2HG PRO 75 2HG PRO 75 7.360 8.531 18.723 632 1HD PRO 75 1HD PRO 75 6.111 10.841 17.313 633 2HD PRO 75 2HD PRO 75 7.242 9.617 16.698 634 H GLY 76 H GLY 76 3.186 6.266 18.728 635 1HA GLY 76 1HA GLY 76 0.867 6.335 19.306 636 2HA GLY 76 2HA GLY 76 0.686 7.776 18.307 637 H LYS 77 H LYS 77 2.135 6.863 16.076 638 HA LYS 77 HA LYS 77 1.954 5.721 14.132 639 1HB LYS 77 1HB LYS 77 0.914 3.466 15.865 640 2HB LYS 77 2HB LYS 77 1.578 3.312 14.243 641 1HG LYS 77 1HG LYS 77 3.760 4.121 15.089 642 2HG LYS 77 2HG LYS 77 3.078 4.177 16.717 643 1HD LYS 77 1HD LYS 77 2.617 1.751 16.578 644 2HD LYS 77 2HD LYS 77 3.366 1.720 14.981 645 1HE LYS 77 1HE LYS 77 4.990 0.955 16.545 646 2HE LYS 77 2HE LYS 77 5.468 2.576 16.048 647 1HZ LYS 77 1HZ LYS 77 4.025 1.911 18.554 648 2HZ LYS 77 2HZ LYS 77 4.553 3.453 18.090 649 3HZ LYS 77 3HZ LYS 77 5.680 2.238 18.437 650 H ASN 78 H ASN 78 -0.287 7.301 15.130 651 HA ASN 78 HA ASN 78 -2.798 6.142 14.749 652 1HB ASN 78 1HB ASN 78 -1.963 9.005 14.186 653 2HB ASN 78 2HB ASN 78 -3.620 8.446 14.387 654 1HD2 ASN 78 2HD2 ASN 78 -0.649 9.234 15.981 655 2HD2 ASN 78 1HD2 ASN 78 -1.266 9.191 17.595 656 H ILE 79 H ILE 79 -0.439 7.185 12.456 657 HA ILE 79 HA ILE 79 -2.077 7.645 10.216 658 HB ILE 79 HB ILE 79 0.832 6.787 10.320 659 1HG1 ILE 79 1HG1 ILE 79 1.171 9.253 9.702 660 2HG1 ILE 79 2HG1 ILE 79 -0.513 9.494 10.142 661 1HG2 ILE 79 1HG2 ILE 79 -0.744 7.892 7.989 662 2HG2 ILE 79 2HG2 ILE 79 -0.098 6.255 8.137 663 3HG2 ILE 79 3HG2 ILE 79 1.001 7.628 8.016 664 1HD1 ILE 79 1HD1 ILE 79 1.654 8.494 11.976 665 2HD1 ILE 79 2HD1 ILE 79 -0.030 8.787 12.416 666 3HD1 ILE 79 3HD1 ILE 79 1.002 10.131 11.931 667 H GLY 80 H GLY 80 -1.255 4.739 11.804 668 1HA GLY 80 1HA GLY 80 -1.206 2.837 9.780 669 2HA GLY 80 2HA GLY 80 -1.844 2.558 11.392 670 H SER 81 H SER 81 -4.034 4.252 11.403 671 HA SER 81 HA SER 81 -5.958 2.722 9.984 672 1HB SER 81 1HB SER 81 -6.283 5.399 11.373 673 2HB SER 81 2HB SER 81 -7.588 4.303 10.914 674 HG SER 81 HG SER 81 -6.265 4.309 13.170 675 H LEU 82 H LEU 82 -4.573 5.936 9.518 676 HA LEU 82 HA LEU 82 -5.998 6.843 7.315 677 1HB LEU 82 1HB LEU 82 -4.271 8.080 8.668 678 2HB LEU 82 2HB LEU 82 -3.026 7.168 7.848 679 HG LEU 82 HG LEU 82 -3.373 9.537 7.060 680 1HD1 LEU 82 1HD1 LEU 82 -3.696 7.387 4.970 681 2HD1 LEU 82 2HD1 LEU 82 -2.177 7.925 5.684 682 3HD1 LEU 82 3HD1 LEU 82 -3.124 9.032 4.689 683 1HD2 LEU 82 1HD2 LEU 82 -5.914 8.395 5.906 684 2HD2 LEU 82 2HD2 LEU 82 -5.240 9.985 5.544 685 3HD2 LEU 82 3HD2 LEU 82 -5.795 9.613 7.176 686 H LEU 83 H LEU 83 -3.010 4.956 7.390 687 HA LEU 83 HA LEU 83 -2.647 4.569 4.661 688 1HB LEU 83 1HB LEU 83 -0.918 4.124 6.304 689 2HB LEU 83 2HB LEU 83 -1.876 2.838 7.012 690 HG LEU 83 HG LEU 83 -1.631 1.519 4.936 691 1HD1 LEU 83 1HD1 LEU 83 -0.031 2.220 3.224 692 2HD1 LEU 83 2HD1 LEU 83 0.179 3.766 4.046 693 3HD1 LEU 83 3HD1 LEU 83 -1.383 3.347 3.342 694 1HD2 LEU 83 1HD2 LEU 83 -0.062 1.186 6.771 695 2HD2 LEU 83 2HD2 LEU 83 0.975 2.464 6.137 696 3HD2 LEU 83 3HD2 LEU 83 0.744 0.977 5.217 697 H ARG 84 H ARG 84 -4.227 2.461 7.046 698 HA ARG 84 HA ARG 84 -4.936 0.346 5.389 699 1HB ARG 84 1HB ARG 84 -5.154 0.606 7.949 700 2HB ARG 84 2HB ARG 84 -6.698 1.373 7.626 701 1HG ARG 84 1HG ARG 84 -5.952 -1.450 6.848 702 2HG ARG 84 2HG ARG 84 -6.908 -0.996 8.255 703 1HD ARG 84 1HD ARG 84 -7.642 -0.713 5.346 704 2HD ARG 84 2HD ARG 84 -8.423 -1.715 6.566 705 HE ARG 84 HE ARG 84 -8.486 1.085 7.198 706 1HH1 ARG 84 1HH1 ARG 84 -10.114 -1.479 5.434 707 2HH1 ARG 84 2HH1 ARG 84 -11.618 -0.612 5.336 708 1HH2 ARG 84 1HH2 ARG 84 -10.454 2.222 7.042 709 2HH2 ARG 84 2HH2 ARG 84 -11.814 1.482 6.255 710 H SER 85 H SER 85 -6.906 3.188 6.268 711 HA SER 85 HA SER 85 -9.147 2.444 4.749 712 1HB SER 85 1HB SER 85 -8.318 5.201 5.690 713 2HB SER 85 2HB SER 85 -9.932 4.745 5.138 714 HG SER 85 HG SER 85 -9.283 4.688 7.542 715 H HIS 86 H HIS 86 -6.288 4.348 3.879 716 HA HIS 86 HA HIS 86 -7.370 5.102 1.322 717 1HB HIS 86 1HB HIS 86 -4.616 5.274 2.522 718 2HB HIS 86 2HB HIS 86 -4.877 5.615 0.812 719 HD1 HIS 86 HD1 HIS 86 -6.241 7.752 0.219 720 HD2 HIS 86 HD2 HIS 86 -5.577 7.208 4.282 721 HE1 HIS 86 HE1 HIS 86 -6.864 9.931 1.303 722 HE2 HIS 86 HE2 HIS 86 -6.642 9.505 3.771 723 H TYR 87 H TYR 87 -5.361 2.451 2.500 724 HA TYR 87 HA TYR 87 -4.606 1.330 0.050 725 1HB TYR 87 1HB TYR 87 -3.858 0.569 2.356 726 2HB TYR 87 2HB TYR 87 -5.411 -0.234 2.530 727 HD1 TYR 87 HD2 TYR 87 -5.922 -1.740 0.201 728 HD2 TYR 87 HD1 TYR 87 -2.122 -0.887 1.928 729 HE1 TYR 87 HE2 TYR 87 -4.988 -3.738 -0.878 730 HE2 TYR 87 HE1 TYR 87 -1.181 -2.884 0.844 731 HH TYR 87 HH TYR 87 -2.391 -5.257 -0.073 732 H GLU 88 H GLU 88 -7.477 0.855 2.027 733 HA GLU 88 HA GLU 88 -8.743 -1.152 0.627 734 1HB GLU 88 1HB GLU 88 -9.284 -0.167 2.902 735 2HB GLU 88 2HB GLU 88 -10.139 1.114 2.062 736 1HG GLU 88 1HG GLU 88 -10.849 -1.763 1.601 737 2HG GLU 88 2HG GLU 88 -11.457 -0.897 3.008 738 H ARG 89 H ARG 89 -8.590 2.267 -0.188 739 HA ARG 89 HA ARG 89 -10.556 1.792 -2.340 740 1HB ARG 89 1HB ARG 89 -10.976 4.226 -2.327 741 2HB ARG 89 2HB ARG 89 -11.366 3.452 -0.798 742 1HG ARG 89 1HG ARG 89 -9.335 4.302 0.206 743 2HG ARG 89 2HG ARG 89 -8.822 4.985 -1.341 744 1HD ARG 89 1HD ARG 89 -9.819 6.656 0.218 745 2HD ARG 89 2HD ARG 89 -10.653 6.542 -1.332 746 HE ARG 89 HE ARG 89 -11.729 4.953 0.864 747 1HH1 ARG 89 1HH1 ARG 89 -11.980 7.877 -1.063 748 2HH1 ARG 89 2HH1 ARG 89 -13.638 8.155 -0.641 749 1HH2 ARG 89 1HH2 ARG 89 -13.900 5.316 1.401 750 2HH2 ARG 89 2HH2 ARG 89 -14.738 6.691 0.752 751 H ILE 90 H ILE 90 -7.260 2.263 -1.859 752 HA ILE 90 HA ILE 90 -6.962 3.356 -4.595 753 HB ILE 90 HB ILE 90 -5.105 3.788 -2.239 754 1HG1 ILE 90 1HG1 ILE 90 -7.128 5.170 -2.114 755 2HG1 ILE 90 2HG1 ILE 90 -5.724 6.168 -2.472 756 1HG2 ILE 90 1HG2 ILE 90 -4.851 4.751 -5.096 757 2HG2 ILE 90 2HG2 ILE 90 -3.823 3.562 -4.295 758 3HG2 ILE 90 3HG2 ILE 90 -3.811 5.240 -3.756 759 1HD1 ILE 90 1HD1 ILE 90 -7.643 6.859 -3.775 760 2HD1 ILE 90 2HD1 ILE 90 -7.791 5.240 -4.456 761 3HD1 ILE 90 3HD1 ILE 90 -6.378 6.229 -4.830 762 H VAL 91 H VAL 91 -5.372 1.324 -2.138 763 HA VAL 91 HA VAL 91 -3.613 0.229 -4.208 764 HB VAL 91 HB VAL 91 -3.480 -0.263 -1.225 765 1HG1 VAL 91 1HG1 VAL 91 -1.126 -0.826 -1.689 766 2HG1 VAL 91 2HG1 VAL 91 -1.425 -0.602 -3.414 767 3HG1 VAL 91 3HG1 VAL 91 -2.247 -1.893 -2.536 768 1HG2 VAL 91 1HG2 VAL 91 -3.323 2.134 -1.624 769 2HG2 VAL 91 2HG2 VAL 91 -2.071 1.871 -2.839 770 3HG2 VAL 91 3HG2 VAL 91 -1.752 1.489 -1.146 771 H TYR 92 H TYR 92 -6.518 -0.568 -2.702 772 HA TYR 92 HA TYR 92 -6.285 -3.283 -2.164 773 1HB TYR 92 1HB TYR 92 -8.327 -1.493 -1.978 774 2HB TYR 92 2HB TYR 92 -8.883 -2.464 -3.335 775 HD1 TYR 92 HD2 TYR 92 -7.332 -5.001 -2.051 776 HD2 TYR 92 HD1 TYR 92 -10.314 -2.273 -0.701 777 HE1 TYR 92 HE2 TYR 92 -8.155 -6.686 -0.465 778 HE2 TYR 92 HE1 TYR 92 -11.135 -3.949 0.890 779 HH TYR 92 HH TYR 92 -9.421 -6.699 1.717 780 HA PRO 93 HA PRO 93 -7.444 -4.089 -6.912 781 1HB PRO 93 1HB PRO 93 -6.115 -2.199 -8.482 782 2HB PRO 93 2HB PRO 93 -7.857 -2.246 -8.194 783 1HG PRO 93 1HG PRO 93 -5.753 -0.607 -6.835 784 2HG PRO 93 2HG PRO 93 -7.393 -0.142 -7.329 785 1HD PRO 93 1HD PRO 93 -6.843 -0.685 -4.774 786 2HD PRO 93 2HD PRO 93 -8.378 -1.213 -5.499 787 H TYR 94 H TYR 94 -4.521 -2.594 -5.629 788 HA TYR 94 HA TYR 94 -2.745 -4.171 -7.252 789 1HB TYR 94 1HB TYR 94 -2.362 -2.189 -5.038 790 2HB TYR 94 2HB TYR 94 -1.029 -3.251 -5.484 791 HD1 TYR 94 HD1 TYR 94 0.062 -3.051 -7.637 792 HD2 TYR 94 HD2 TYR 94 -3.157 -0.463 -6.596 793 HE1 TYR 94 HE1 TYR 94 0.651 -1.579 -9.509 794 HE2 TYR 94 HE2 TYR 94 -2.569 1.025 -8.460 795 HH TYR 94 HH TYR 94 -0.622 1.557 -9.861 796 H GLU 95 H GLU 95 -4.189 -4.464 -4.078 797 HA GLU 95 HA GLU 95 -2.733 -6.637 -3.087 798 1HB GLU 95 1HB GLU 95 -4.439 -5.516 -1.749 799 2HB GLU 95 2HB GLU 95 -5.694 -6.000 -2.876 800 1HG GLU 95 1HG GLU 95 -5.804 -7.345 -0.881 801 2HG GLU 95 2HG GLU 95 -5.348 -8.344 -2.258 802 H MET 96 H MET 96 -5.642 -6.593 -5.135 803 HA MET 96 HA MET 96 -5.678 -9.345 -5.750 804 1HB MET 96 1HB MET 96 -6.827 -6.925 -7.142 805 2HB MET 96 2HB MET 96 -7.027 -8.545 -7.795 806 1HG MET 96 1HG MET 96 -7.933 -7.652 -5.063 807 2HG MET 96 2HG MET 96 -8.964 -7.804 -6.485 808 1HE MET 96 1HE MET 96 -10.648 -9.413 -5.217 809 2HE MET 96 2HE MET 96 -9.677 -9.234 -3.755 810 3HE MET 96 3HE MET 96 -10.139 -10.841 -4.314 811 H TYR 97 H TYR 97 -4.052 -6.610 -7.245 812 HA TYR 97 HA TYR 97 -3.182 -7.838 -9.611 813 1HB TYR 97 1HB TYR 97 -3.062 -5.445 -9.338 814 2HB TYR 97 2HB TYR 97 -1.994 -5.603 -7.952 815 HD1 TYR 97 HD2 TYR 97 -2.155 -6.214 -11.632 816 HD2 TYR 97 HD1 TYR 97 0.330 -5.526 -8.239 817 HE1 TYR 97 HE2 TYR 97 -0.207 -5.962 -13.110 818 HE2 TYR 97 HE1 TYR 97 2.278 -5.261 -9.713 819 HH TYR 97 HH TYR 97 2.095 -4.691 -12.913 820 H GLN 98 H GLN 98 -1.192 -7.198 -6.715 821 HA GLN 98 HA GLN 98 0.944 -8.832 -7.551 822 1HB GLN 98 1HB GLN 98 1.262 -7.018 -5.952 823 2HB GLN 98 2HB GLN 98 0.218 -7.825 -4.789 824 1HG GLN 98 1HG GLN 98 2.560 -8.086 -4.196 825 2HG GLN 98 2HG GLN 98 1.831 -9.643 -4.578 826 1HE2 GLN 98 2HE2 GLN 98 4.075 -7.194 -5.615 827 2HE2 GLN 98 1HE2 GLN 98 4.877 -8.149 -6.811 828 H SER 99 H SER 99 -1.511 -9.399 -4.994 829 HA SER 99 HA SER 99 -0.564 -12.017 -4.452 830 1HB SER 99 1HB SER 99 -3.235 -10.752 -3.783 831 2HB SER 99 2HB SER 99 -2.595 -12.236 -3.071 832 HG SER 99 HG SER 99 -2.259 -10.026 -1.997 833 H GLY 100 H GLY 100 -3.212 -10.775 -6.474 834 1HA GLY 100 1HA GLY 100 -4.372 -13.265 -7.105 835 2HA GLY 100 2HA GLY 100 -4.479 -11.811 -8.089 836 H ALA 101 H ALA 101 -1.667 -11.501 -8.542 837 HA ALA 101 HA ALA 101 -1.324 -13.419 -10.668 838 1HB ALA 101 1HB ALA 101 0.663 -12.132 -11.242 839 2HB ALA 101 2HB ALA 101 0.529 -11.226 -9.734 840 3HB ALA 101 3HB ALA 101 -0.715 -11.064 -10.972 841 H ASN 102 H ASN 102 0.020 -12.921 -7.456 842 HA ASN 102 HA ASN 102 2.143 -14.882 -7.989 843 1HB ASN 102 1HB ASN 102 2.684 -12.600 -7.033 844 2HB ASN 102 2HB ASN 102 1.864 -13.103 -5.558 845 1HD2 ASN 102 2HD2 ASN 102 4.680 -13.421 -7.524 846 2HD2 ASN 102 1HD2 ASN 102 5.610 -14.364 -6.411 847 H LEU 103 H LEU 103 -0.073 -14.124 -5.252 848 HA LEU 103 HA LEU 103 -0.543 -16.969 -4.853 849 1HB LEU 103 1HB LEU 103 0.174 -17.054 -2.572 850 2HB LEU 103 2HB LEU 103 1.515 -16.479 -3.538 851 HG LEU 103 HG LEU 103 -0.257 -14.713 -1.827 852 1HD1 LEU 103 1HD1 LEU 103 1.657 -14.572 -0.314 853 2HD1 LEU 103 2HD1 LEU 103 2.531 -15.743 -1.304 854 3HD1 LEU 103 3HD1 LEU 103 1.063 -16.227 -0.453 855 1HD2 LEU 103 1HD2 LEU 103 2.326 -14.091 -3.271 856 2HD2 LEU 103 2HD2 LEU 103 1.449 -12.998 -2.200 857 3HD2 LEU 103 3HD2 LEU 103 0.720 -13.512 -3.720 858 H VAL 104 H VAL 104 -2.662 -17.212 -4.507 859 HA VAL 104 HA VAL 104 -4.195 -14.812 -3.873 860 HB VAL 104 HB VAL 104 -4.869 -15.975 -5.878 861 1HG1 VAL 104 1HG1 VAL 104 -4.135 -18.235 -5.322 862 2HG1 VAL 104 2HG1 VAL 104 -5.817 -18.230 -5.851 863 3HG1 VAL 104 3HG1 VAL 104 -5.433 -18.378 -4.136 864 1HG2 VAL 104 1HG2 VAL 104 -6.594 -14.822 -4.585 865 2HG2 VAL 104 2HG2 VAL 104 -6.928 -16.307 -3.692 866 3HG2 VAL 104 3HG2 VAL 104 -7.258 -16.227 -5.423 867 H CYS 105 H CYS 105 -4.262 -14.511 -1.744 868 HA CYS 105 HA CYS 105 -5.720 -16.536 -0.166 869 1HB CYS 105 1HB CYS 105 -3.498 -14.737 0.851 870 2HB CYS 105 2HB CYS 105 -4.432 -15.871 1.823 871 HG CYS 105 HG CYS 105 -2.892 -17.277 -0.797 872 H ASN 106 H ASN 106 -5.902 -13.670 -1.610 873 HA ASN 106 HA ASN 106 -6.939 -12.051 0.581 874 1HB ASN 106 1HB ASN 106 -6.918 -10.230 -1.117 875 2HB ASN 106 2HB ASN 106 -5.347 -10.997 -0.908 876 1HD2 ASN 106 2HD2 ASN 106 -6.371 -9.497 -3.177 877 2HD2 ASN 106 1HD2 ASN 106 -6.286 -10.550 -4.538 878 H THR 107 H THR 107 -8.121 -13.820 -2.180 879 HA THR 107 HA THR 107 -10.222 -12.255 -3.023 880 HB THR 107 HB THR 107 -10.190 -15.279 -3.036 881 HG1 THR 107 HG1 THR 107 -9.032 -15.078 -4.939 882 1HG2 THR 107 1HG2 THR 107 -11.546 -13.279 -4.859 883 2HG2 THR 107 2HG2 THR 107 -12.352 -14.325 -3.689 884 3HG2 THR 107 3HG2 THR 107 -11.532 -15.028 -5.084 885 H ARG 108 H ARG 108 -10.287 -14.672 -0.403 886 HA ARG 108 HA ARG 108 -13.146 -14.204 -0.066 887 1HB ARG 108 1HB ARG 108 -11.275 -16.232 1.138 888 2HB ARG 108 2HB ARG 108 -12.910 -16.002 1.745 889 1HG ARG 108 1HG ARG 108 -12.228 -16.713 -1.108 890 2HG ARG 108 2HG ARG 108 -12.693 -17.873 0.136 891 1HD ARG 108 1HD ARG 108 -14.655 -17.425 -1.115 892 2HD ARG 108 2HD ARG 108 -14.835 -16.550 0.403 893 HE ARG 108 HE ARG 108 -13.853 -15.141 -1.987 894 1HH1 ARG 108 1HH1 ARG 108 -16.340 -15.572 0.457 895 2HH1 ARG 108 2HH1 ARG 108 -17.189 -14.121 0.022 896 1HH2 ARG 108 1HH2 ARG 108 -14.985 -13.239 -2.561 897 2HH2 ARG 108 2HH2 ARG 108 -16.442 -12.819 -1.712 898 HA PRO 109 HA PRO 109 -11.328 -12.863 4.380 899 1HB PRO 109 1HB PRO 109 -8.832 -11.712 3.166 900 2HB PRO 109 2HB PRO 109 -9.102 -12.335 4.803 901 1HG PRO 109 1HG PRO 109 -7.828 -13.829 3.034 902 2HG PRO 109 2HG PRO 109 -9.039 -14.565 4.101 903 1HD PRO 109 1HD PRO 109 -9.252 -13.847 1.201 904 2HD PRO 109 2HD PRO 109 -9.936 -15.235 2.072 905 H PHE 110 H PHE 110 -10.727 -11.267 1.298 906 HA PHE 110 HA PHE 110 -11.153 -8.606 1.828 907 1HB PHE 110 1HB PHE 110 -10.695 -9.744 -0.406 908 2HB PHE 110 2HB PHE 110 -12.407 -10.116 -0.491 909 HD1 PHE 110 HD1 PHE 110 -13.388 -7.371 0.600 910 HD2 PHE 110 HD2 PHE 110 -10.528 -8.475 -2.359 911 HE1 PHE 110 HE1 PHE 110 -13.774 -5.242 -0.572 912 HE2 PHE 110 HE2 PHE 110 -10.916 -6.349 -3.531 913 HZ PHE 110 HZ PHE 110 -12.543 -4.732 -2.638 914 H ASP 111 H ASP 111 -13.714 -10.805 0.750 915 HA ASP 111 HA ASP 111 -15.809 -9.014 1.489 916 1HB ASP 111 1HB ASP 111 -16.024 -10.474 -0.445 917 2HB ASP 111 2HB ASP 111 -15.836 -11.900 0.568 918 H ASN 112 H ASN 112 -14.317 -11.819 2.938 919 HA ASN 112 HA ASN 112 -16.340 -12.441 4.813 920 1HB ASN 112 1HB ASN 112 -14.547 -14.022 4.153 921 2HB ASN 112 2HB ASN 112 -13.366 -13.013 4.981 922 1HD2 ASN 112 2HD2 ASN 112 -13.304 -13.009 7.236 923 2HD2 ASN 112 1HD2 ASN 112 -14.124 -14.200 8.180 924 H GLU 113 H GLU 113 -13.546 -10.279 4.929 925 HA GLU 113 HA GLU 113 -14.067 -9.638 7.724 926 1HB GLU 113 1HB GLU 113 -11.941 -8.632 5.821 927 2HB GLU 113 2HB GLU 113 -12.076 -8.148 7.507 928 1HG GLU 113 1HG GLU 113 -11.508 -10.918 6.461 929 2HG GLU 113 2HG GLU 113 -10.379 -9.841 7.280 930 H GLU 114 H GLU 114 -14.499 -8.227 4.532 931 HA GLU 114 HA GLU 114 -15.249 -5.636 5.355 932 1HB GLU 114 1HB GLU 114 -14.815 -6.244 2.985 933 2HB GLU 114 2HB GLU 114 -16.290 -7.205 2.972 934 1HG GLU 114 1HG GLU 114 -17.598 -5.167 3.432 935 2HG GLU 114 2HG GLU 114 -16.113 -4.220 3.389 936 H LYS 115 H LYS 115 -16.987 -8.675 5.139 937 HA LYS 115 HA LYS 115 -19.354 -7.428 6.370 938 1HB LYS 115 1HB LYS 115 -19.054 -10.121 5.010 939 2HB LYS 115 2HB LYS 115 -20.540 -9.506 5.727 940 1HG LYS 115 1HG LYS 115 -20.529 -7.644 4.113 941 2HG LYS 115 2HG LYS 115 -19.066 -8.308 3.380 942 1HD LYS 115 1HD LYS 115 -21.046 -8.943 2.098 943 2HD LYS 115 2HD LYS 115 -20.283 -10.363 2.812 944 1HE LYS 115 1HE LYS 115 -22.700 -10.495 3.041 945 2HE LYS 115 2HE LYS 115 -21.945 -10.333 4.627 946 1HZ LYS 115 1HZ LYS 115 -23.885 -8.915 4.432 947 2HZ LYS 115 2HZ LYS 115 -23.225 -8.145 3.080 948 3HZ LYS 115 3HZ LYS 115 -22.493 -7.972 4.590 949 H ASP 116 H ASP 116 -17.625 -7.430 8.212 950 HA ASP 116 HA ASP 116 -17.131 -9.834 9.627 951 1HB ASP 116 1HB ASP 116 -16.449 -8.387 11.486 952 2HB ASP 116 2HB ASP 116 -15.776 -7.810 9.966 953 H LYS 117 H LYS 117 -19.881 -7.806 9.365 954 HA LYS 117 HA LYS 117 -21.472 -9.717 10.762 955 1HB LYS 117 1HB LYS 117 -22.508 -7.855 12.272 956 2HB LYS 117 2HB LYS 117 -21.035 -8.656 12.782 957 1HG LYS 117 1HG LYS 117 -20.652 -6.406 13.249 958 2HG LYS 117 2HG LYS 117 -19.788 -6.682 11.739 959 1HD LYS 117 1HD LYS 117 -20.965 -4.565 11.638 960 2HD LYS 117 2HD LYS 117 -21.693 -5.698 10.500 961 1HE LYS 117 1HE LYS 117 -23.505 -6.143 12.058 962 2HE LYS 117 2HE LYS 117 -22.759 -5.094 13.262 963 1HZ LYS 117 1HZ LYS 117 -23.146 -3.208 11.910 964 2HZ LYS 117 2HZ LYS 117 -24.603 -4.067 11.970 965 3HZ LYS 117 3HZ LYS 117 -23.630 -4.151 10.589 Start of MODEL 18 1 1H SER 1 1H SER 1 6.165 16.310 -2.948 2 2H SER 1 2H SER 1 4.611 16.148 -3.593 3 3H SER 1 3H SER 1 5.445 17.609 -3.761 4 HA SER 1 HA SER 1 5.488 16.434 -5.827 5 1HB SER 1 1HB SER 1 7.468 17.754 -5.267 6 2HB SER 1 2HB SER 1 8.150 16.399 -4.368 7 HG SER 1 HG SER 1 8.518 16.937 -6.889 8 H MET 2 H MET 2 6.527 14.600 -7.020 9 HA MET 2 HA MET 2 6.072 12.083 -5.592 10 1HB MET 2 1HB MET 2 6.485 12.625 -8.545 11 2HB MET 2 2HB MET 2 6.136 11.050 -7.843 12 1HG MET 2 1HG MET 2 4.325 13.459 -7.795 13 2HG MET 2 2HG MET 2 4.140 12.029 -8.809 14 1HE MET 2 1HE MET 2 4.894 9.660 -6.802 15 2HE MET 2 2HE MET 2 3.513 9.634 -7.899 16 3HE MET 2 3HE MET 2 3.288 9.252 -6.193 17 H ASN 3 H ASN 3 8.582 14.120 -6.545 18 HA ASN 3 HA ASN 3 10.736 12.486 -7.114 19 1HB ASN 3 1HB ASN 3 11.031 14.859 -7.179 20 2HB ASN 3 2HB ASN 3 10.559 15.036 -5.492 21 1HD2 ASN 3 2HD2 ASN 3 12.040 14.586 -3.876 22 2HD2 ASN 3 1HD2 ASN 3 13.729 14.381 -4.193 23 H GLU 4 H GLU 4 9.138 13.092 -4.089 24 HA GLU 4 HA GLU 4 10.947 12.117 -2.237 25 1HB GLU 4 1HB GLU 4 8.035 11.470 -1.926 26 2HB GLU 4 2HB GLU 4 9.176 12.059 -0.727 27 1HG GLU 4 1HG GLU 4 7.897 13.653 -2.943 28 2HG GLU 4 2HG GLU 4 7.531 13.753 -1.224 29 H LEU 5 H LEU 5 8.650 10.386 -4.288 30 HA LEU 5 HA LEU 5 9.418 7.780 -3.322 31 1HB LEU 5 1HB LEU 5 7.172 8.277 -4.365 32 2HB LEU 5 2HB LEU 5 7.990 8.481 -5.903 33 HG LEU 5 HG LEU 5 8.877 6.052 -5.448 34 1HD1 LEU 5 1HD1 LEU 5 6.405 6.098 -3.724 35 2HD1 LEU 5 2HD1 LEU 5 8.064 5.860 -3.174 36 3HD1 LEU 5 3HD1 LEU 5 7.298 4.656 -4.210 37 1HD2 LEU 5 1HD2 LEU 5 7.009 5.100 -6.648 38 2HD2 LEU 5 2HD2 LEU 5 7.385 6.697 -7.300 39 3HD2 LEU 5 3HD2 LEU 5 5.995 6.486 -6.234 40 H GLU 6 H GLU 6 10.050 9.798 -6.153 41 HA GLU 6 HA GLU 6 11.591 7.905 -7.591 42 1HB GLU 6 1HB GLU 6 11.530 10.921 -7.837 43 2HB GLU 6 2HB GLU 6 12.223 9.819 -9.018 44 1HG GLU 6 1HG GLU 6 10.019 8.850 -9.424 45 2HG GLU 6 2HG GLU 6 9.317 9.933 -8.220 46 H ALA 7 H ALA 7 12.407 9.513 -4.797 47 HA ALA 7 HA ALA 7 14.889 10.506 -4.891 48 1HB ALA 7 1HB ALA 7 15.292 9.640 -2.654 49 2HB ALA 7 2HB ALA 7 14.003 8.456 -2.863 50 3HB ALA 7 3HB ALA 7 13.620 10.177 -2.821 51 H GLN 8 H GLN 8 14.211 7.002 -4.995 52 HA GLN 8 HA GLN 8 17.034 6.500 -5.636 53 1HB GLN 8 1HB GLN 8 14.805 4.488 -5.225 54 2HB GLN 8 2HB GLN 8 16.525 4.141 -5.341 55 1HG GLN 8 1HG GLN 8 15.131 5.646 -3.132 56 2HG GLN 8 2HG GLN 8 15.822 4.027 -3.043 57 1HE2 GLN 8 2HE2 GLN 8 16.404 6.430 -1.476 58 2HE2 GLN 8 1HE2 GLN 8 18.099 6.719 -1.657 59 H THR 9 H THR 9 17.671 5.562 -7.622 60 HA THR 9 HA THR 9 15.849 6.404 -9.750 61 HB THR 9 HB THR 9 18.779 5.751 -10.082 62 HG1 THR 9 HG1 THR 9 17.596 8.227 -9.285 63 1HG2 THR 9 1HG2 THR 9 18.622 7.366 -11.930 64 2HG2 THR 9 2HG2 THR 9 16.912 7.612 -11.574 65 3HG2 THR 9 3HG2 THR 9 17.477 6.042 -12.145 66 H ARG 10 H ARG 10 15.361 5.226 -11.517 67 HA ARG 10 HA ARG 10 14.868 3.469 -12.846 68 1HB ARG 10 1HB ARG 10 17.458 2.300 -11.796 69 2HB ARG 10 2HB ARG 10 16.606 1.780 -13.242 70 1HG ARG 10 1HG ARG 10 17.821 4.512 -12.835 71 2HG ARG 10 2HG ARG 10 18.567 3.185 -13.725 72 1HD ARG 10 1HD ARG 10 15.958 4.541 -14.412 73 2HD ARG 10 2HD ARG 10 17.498 4.780 -15.237 74 HE ARG 10 HE ARG 10 15.666 2.575 -15.547 75 1HH1 ARG 10 1HH1 ARG 10 19.028 3.536 -15.870 76 2HH1 ARG 10 2HH1 ARG 10 19.346 2.419 -17.159 77 1HH2 ARG 10 1HH2 ARG 10 16.113 1.092 -17.237 78 2HH2 ARG 10 2HH2 ARG 10 17.713 1.022 -17.910 79 H VAL 11 H VAL 11 14.754 3.193 -9.593 80 HA VAL 11 HA VAL 11 13.529 0.525 -9.765 81 HB VAL 11 HB VAL 11 15.256 0.458 -8.114 82 1HG1 VAL 11 1HG1 VAL 11 15.542 2.842 -7.717 83 2HG1 VAL 11 2HG1 VAL 11 15.362 1.975 -6.192 84 3HG1 VAL 11 3HG1 VAL 11 14.009 2.899 -6.847 85 1HG2 VAL 11 1HG2 VAL 11 14.010 -0.110 -6.085 86 2HG2 VAL 11 2HG2 VAL 11 13.184 -0.708 -7.523 87 3HG2 VAL 11 3HG2 VAL 11 12.594 0.739 -6.705 88 H LYS 12 H LYS 12 13.137 3.719 -8.242 89 HA LYS 12 HA LYS 12 10.420 3.133 -7.474 90 1HB LYS 12 1HB LYS 12 11.813 5.820 -7.429 91 2HB LYS 12 2HB LYS 12 10.416 5.323 -6.481 92 1HG LYS 12 1HG LYS 12 13.192 4.168 -6.205 93 2HG LYS 12 2HG LYS 12 12.512 5.421 -5.171 94 1HD LYS 12 1HD LYS 12 11.303 2.672 -5.505 95 2HD LYS 12 2HD LYS 12 12.434 3.097 -4.221 96 1HE LYS 12 1HE LYS 12 9.749 4.402 -4.698 97 2HE LYS 12 2HE LYS 12 10.091 3.184 -3.471 98 1HZ LYS 12 1HZ LYS 12 10.135 5.344 -2.478 99 2HZ LYS 12 2HZ LYS 12 11.244 5.917 -3.620 100 3HZ LYS 12 3HZ LYS 12 11.716 4.745 -2.499 101 H LEU 13 H LEU 13 12.033 4.560 -10.168 102 HA LEU 13 HA LEU 13 9.867 6.168 -11.111 103 1HB LEU 13 1HB LEU 13 12.371 5.154 -12.470 104 2HB LEU 13 2HB LEU 13 11.206 6.201 -13.258 105 HG LEU 13 HG LEU 13 11.636 7.933 -11.510 106 1HD1 LEU 13 1HD1 LEU 13 13.646 7.734 -10.114 107 2HD1 LEU 13 2HD1 LEU 13 13.851 6.068 -10.655 108 3HD1 LEU 13 3HD1 LEU 13 12.435 6.519 -9.705 109 1HD2 LEU 13 1HD2 LEU 13 13.817 8.618 -12.388 110 2HD2 LEU 13 2HD2 LEU 13 12.750 8.044 -13.668 111 3HD2 LEU 13 3HD2 LEU 13 14.047 7.008 -13.072 112 H ASN 14 H ASN 14 11.181 2.997 -12.065 113 HA ASN 14 HA ASN 14 9.237 2.385 -14.005 114 1HB ASN 14 1HB ASN 14 11.286 1.090 -13.870 115 2HB ASN 14 2HB ASN 14 10.890 0.559 -12.238 116 1HD2 ASN 14 2HD2 ASN 14 10.106 0.239 -15.622 117 2HD2 ASN 14 1HD2 ASN 14 9.221 -1.241 -15.481 118 H TYR 15 H TYR 15 9.429 1.661 -10.545 119 HA TYR 15 HA TYR 15 7.014 0.316 -10.230 120 1HB TYR 15 1HB TYR 15 8.699 0.482 -8.451 121 2HB TYR 15 2HB TYR 15 8.392 2.209 -8.301 122 HD1 TYR 15 HD1 TYR 15 6.876 -1.145 -7.821 123 HD2 TYR 15 HD2 TYR 15 6.614 3.014 -6.934 124 HE1 TYR 15 HE1 TYR 15 5.149 -1.616 -6.135 125 HE2 TYR 15 HE2 TYR 15 4.886 2.549 -5.249 126 HH TYR 15 HH TYR 15 4.176 -0.616 -4.158 127 H LEU 16 H LEU 16 7.722 3.783 -10.280 128 HA LEU 16 HA LEU 16 5.152 4.703 -9.595 129 1HB LEU 16 1HB LEU 16 7.149 6.134 -9.549 130 2HB LEU 16 2HB LEU 16 7.271 6.035 -11.295 131 HG LEU 16 HG LEU 16 5.146 7.250 -11.527 132 1HD1 LEU 16 1HD1 LEU 16 4.073 8.268 -9.578 133 2HD1 LEU 16 2HD1 LEU 16 5.200 7.429 -8.512 134 3HD1 LEU 16 3HD1 LEU 16 4.047 6.508 -9.480 135 1HD2 LEU 16 1HD2 LEU 16 7.130 8.646 -9.725 136 2HD2 LEU 16 2HD2 LEU 16 5.926 9.435 -10.745 137 3HD2 LEU 16 3HD2 LEU 16 7.237 8.514 -11.481 138 H ASP 17 H ASP 17 6.677 4.123 -12.742 139 HA ASP 17 HA ASP 17 4.622 4.893 -14.436 140 1HB ASP 17 1HB ASP 17 6.799 4.296 -15.314 141 2HB ASP 17 2HB ASP 17 6.636 2.646 -14.725 142 H GLN 18 H GLN 18 5.203 1.700 -12.993 143 HA GLN 18 HA GLN 18 2.895 0.448 -14.055 144 1HB GLN 18 1HB GLN 18 4.824 -0.804 -13.182 145 2HB GLN 18 2HB GLN 18 4.489 -0.207 -11.563 146 1HG GLN 18 1HG GLN 18 2.294 -1.375 -11.645 147 2HG GLN 18 2HG GLN 18 2.765 -2.060 -13.200 148 1HE2 GLN 18 2HE2 GLN 18 4.964 -1.549 -10.514 149 2HE2 GLN 18 1HE2 GLN 18 5.251 -3.220 -10.191 150 H ILE 19 H ILE 19 3.554 1.787 -10.841 151 HA ILE 19 HA ILE 19 1.052 1.084 -9.717 152 HB ILE 19 HB ILE 19 3.305 1.575 -8.529 153 1HG1 ILE 19 1HG1 ILE 19 2.058 2.491 -6.473 154 2HG1 ILE 19 2HG1 ILE 19 0.619 2.485 -7.488 155 1HG2 ILE 19 1HG2 ILE 19 2.209 4.386 -8.618 156 2HG2 ILE 19 2HG2 ILE 19 3.655 3.809 -9.444 157 3HG2 ILE 19 3HG2 ILE 19 3.602 3.842 -7.683 158 1HD1 ILE 19 1HD1 ILE 19 0.877 0.078 -7.824 159 2HD1 ILE 19 2HD1 ILE 19 0.745 0.491 -6.115 160 3HD1 ILE 19 3HD1 ILE 19 2.318 0.094 -6.808 161 H ALA 20 H ALA 20 2.023 3.701 -11.697 162 HA ALA 20 HA ALA 20 -0.253 5.353 -10.916 163 1HB ALA 20 1HB ALA 20 0.620 6.990 -12.501 164 2HB ALA 20 2HB ALA 20 1.842 5.836 -13.038 165 3HB ALA 20 3HB ALA 20 1.884 6.462 -11.390 166 H LYS 21 H LYS 21 0.942 3.539 -13.733 167 HA LYS 21 HA LYS 21 -1.117 4.415 -15.468 168 1HB LYS 21 1HB LYS 21 1.284 3.181 -15.832 169 2HB LYS 21 2HB LYS 21 0.193 1.835 -16.107 170 1HG LYS 21 1HG LYS 21 0.102 4.480 -17.559 171 2HG LYS 21 2HG LYS 21 0.814 2.994 -18.183 172 1HD LYS 21 1HD LYS 21 -1.349 1.905 -18.172 173 2HD LYS 21 2HD LYS 21 -2.092 3.312 -17.408 174 1HE LYS 21 1HE LYS 21 -0.804 3.282 -20.141 175 2HE LYS 21 2HE LYS 21 -2.537 3.206 -19.832 176 1HZ LYS 21 1HZ LYS 21 -1.895 5.443 -20.369 177 2HZ LYS 21 2HZ LYS 21 -0.725 5.461 -19.150 178 3HZ LYS 21 3HZ LYS 21 -2.367 5.388 -18.744 179 H PHE 22 H PHE 22 -0.709 1.359 -13.643 180 HA PHE 22 HA PHE 22 -2.969 0.054 -14.690 181 1HB PHE 22 1HB PHE 22 -1.406 -1.250 -13.437 182 2HB PHE 22 2HB PHE 22 -1.561 -0.212 -12.025 183 HD1 PHE 22 HD1 PHE 22 -3.337 -2.751 -14.077 184 HD2 PHE 22 HD2 PHE 22 -3.221 -0.613 -10.396 185 HE1 PHE 22 HE1 PHE 22 -5.062 -4.243 -13.151 186 HE2 PHE 22 HE2 PHE 22 -4.936 -2.099 -9.461 187 HZ PHE 22 HZ PHE 22 -5.865 -3.923 -10.844 188 H TRP 23 H TRP 23 -2.649 1.846 -11.652 189 HA TRP 23 HA TRP 23 -5.348 1.765 -10.909 190 1HB TRP 23 1HB TRP 23 -3.551 2.271 -9.340 191 2HB TRP 23 2HB TRP 23 -3.180 3.758 -10.200 192 HD1 TRP 23 HD1 TRP 23 -3.823 5.623 -8.605 193 HE1 TRP 23 HE1 TRP 23 -5.907 6.250 -7.244 194 HE3 TRP 23 HE3 TRP 23 -6.636 1.445 -9.458 195 HZ2 TRP 23 HZ2 TRP 23 -8.408 5.111 -6.586 196 HZ3 TRP 23 HZ3 TRP 23 -8.862 1.294 -8.434 197 HH2 TRP 23 HH2 TRP 23 -9.729 3.085 -7.021 198 H GLU 24 H GLU 24 -3.548 4.002 -12.929 199 HA GLU 24 HA GLU 24 -5.417 6.066 -13.142 200 1HB GLU 24 1HB GLU 24 -3.135 6.255 -13.989 201 2HB GLU 24 2HB GLU 24 -3.439 4.997 -15.177 202 1HG GLU 24 1HG GLU 24 -5.102 6.471 -16.259 203 2HG GLU 24 2HG GLU 24 -4.682 7.741 -15.107 204 H ILE 25 H ILE 25 -4.921 3.248 -15.265 205 HA ILE 25 HA ILE 25 -7.207 3.833 -16.879 206 HB ILE 25 HB ILE 25 -5.599 1.266 -16.733 207 1HG1 ILE 25 1HG1 ILE 25 -4.142 3.142 -17.254 208 2HG1 ILE 25 2HG1 ILE 25 -4.392 2.183 -18.707 209 1HG2 ILE 25 1HG2 ILE 25 -6.436 0.849 -19.005 210 2HG2 ILE 25 2HG2 ILE 25 -7.427 2.303 -18.907 211 3HG2 ILE 25 3HG2 ILE 25 -7.754 0.942 -17.835 212 1HD1 ILE 25 1HD1 ILE 25 -4.447 4.551 -19.204 213 2HD1 ILE 25 2HD1 ILE 25 -5.750 4.789 -18.041 214 3HD1 ILE 25 3HD1 ILE 25 -6.031 3.829 -19.495 215 H GLN 26 H GLN 26 -6.794 2.278 -13.875 216 HA GLN 26 HA GLN 26 -9.017 0.516 -13.937 217 1HB GLN 26 1HB GLN 26 -7.169 0.538 -12.216 218 2HB GLN 26 2HB GLN 26 -7.915 1.966 -11.519 219 1HG GLN 26 1HG GLN 26 -8.657 0.209 -10.183 220 2HG GLN 26 2HG GLN 26 -10.016 0.543 -11.249 221 1HE2 GLN 26 2HE2 GLN 26 -8.761 -0.853 -13.543 222 2HE2 GLN 26 1HE2 GLN 26 -8.910 -2.531 -13.196 223 H GLY 27 H GLY 27 -8.878 3.827 -14.210 224 1HA GLY 27 1HA GLY 27 -10.832 5.090 -14.726 225 2HA GLY 27 2HA GLY 27 -11.755 4.061 -13.637 226 H SER 28 H SER 28 -8.628 5.366 -12.817 227 HA SER 28 HA SER 28 -9.760 7.513 -11.218 228 1HB SER 28 1HB SER 28 -8.308 5.161 -9.962 229 2HB SER 28 2HB SER 28 -8.675 6.672 -9.126 230 HG SER 28 HG SER 28 -10.718 5.185 -10.383 231 H SER 29 H SER 29 -7.663 8.277 -9.735 232 HA SER 29 HA SER 29 -5.275 8.227 -11.441 233 1HB SER 29 1HB SER 29 -4.937 10.672 -10.790 234 2HB SER 29 2HB SER 29 -6.228 10.353 -11.947 235 HG SER 29 HG SER 29 -6.613 11.786 -9.994 236 H LEU 30 H LEU 30 -3.292 8.506 -10.300 237 HA LEU 30 HA LEU 30 -3.412 7.308 -7.678 238 1HB LEU 30 1HB LEU 30 -1.765 6.579 -9.360 239 2HB LEU 30 2HB LEU 30 -1.032 8.173 -9.330 240 HG LEU 30 HG LEU 30 -0.419 7.824 -6.948 241 1HD1 LEU 30 1HD1 LEU 30 -1.463 5.024 -7.387 242 2HD1 LEU 30 2HD1 LEU 30 -2.172 6.243 -6.329 243 3HD1 LEU 30 3HD1 LEU 30 -0.575 5.588 -5.970 244 1HD2 LEU 30 1HD2 LEU 30 1.378 6.215 -7.362 245 2HD2 LEU 30 2HD2 LEU 30 1.190 7.332 -8.714 246 3HD2 LEU 30 3HD2 LEU 30 0.567 5.686 -8.837 247 H LYS 31 H LYS 31 -3.741 8.525 -5.947 248 HA LYS 31 HA LYS 31 -2.177 11.002 -5.654 249 1HB LYS 31 1HB LYS 31 -5.030 10.540 -4.735 250 2HB LYS 31 2HB LYS 31 -4.051 11.931 -4.288 251 1HG LYS 31 1HG LYS 31 -3.895 12.540 -6.690 252 2HG LYS 31 2HG LYS 31 -4.985 11.202 -7.064 253 1HD LYS 31 1HD LYS 31 -6.726 12.215 -5.674 254 2HD LYS 31 2HD LYS 31 -5.634 13.535 -5.249 255 1HE LYS 31 1HE LYS 31 -5.527 14.170 -7.640 256 2HE LYS 31 2HE LYS 31 -6.687 12.893 -8.009 257 1HZ LYS 31 1HZ LYS 31 -8.273 14.007 -6.521 258 2HZ LYS 31 2HZ LYS 31 -7.818 14.987 -7.820 259 3HZ LYS 31 3HZ LYS 31 -7.164 15.265 -6.285 260 H ILE 32 H ILE 32 -0.580 9.920 -4.503 261 HA ILE 32 HA ILE 32 -1.370 8.765 -1.924 262 HB ILE 32 HB ILE 32 1.048 8.059 -1.761 263 1HG1 ILE 32 1HG1 ILE 32 1.096 8.916 -4.673 264 2HG1 ILE 32 2HG1 ILE 32 2.024 9.646 -3.366 265 1HG2 ILE 32 1HG2 ILE 32 0.780 6.155 -3.287 266 2HG2 ILE 32 2HG2 ILE 32 -0.547 6.991 -4.094 267 3HG2 ILE 32 3HG2 ILE 32 -0.709 6.503 -2.407 268 1HD1 ILE 32 1HD1 ILE 32 2.323 6.832 -4.400 269 2HD1 ILE 32 2HD1 ILE 32 3.243 7.544 -3.073 270 3HD1 ILE 32 3HD1 ILE 32 3.411 8.186 -4.707 271 HA PRO 33 HA PRO 33 -0.340 12.890 -0.408 272 1HB PRO 33 1HB PRO 33 -1.446 11.866 2.125 273 2HB PRO 33 2HB PRO 33 -2.004 13.209 1.123 274 1HG PRO 33 1HG PRO 33 -3.394 10.913 1.315 275 2HG PRO 33 2HG PRO 33 -3.333 11.847 -0.194 276 1HD PRO 33 1HD PRO 33 -1.773 9.393 0.578 277 2HD PRO 33 2HD PRO 33 -2.597 9.765 -0.954 278 H ASN 34 H ASN 34 0.483 13.525 1.964 279 HA ASN 34 HA ASN 34 2.548 11.651 2.858 280 1HB ASN 34 1HB ASN 34 4.152 13.571 3.065 281 2HB ASN 34 2HB ASN 34 3.774 13.122 1.409 282 1HD2 ASN 34 2HD2 ASN 34 3.304 15.515 3.910 283 2HD2 ASN 34 1HD2 ASN 34 2.764 16.779 2.862 284 H VAL 35 H VAL 35 3.113 11.789 4.960 285 HA VAL 35 HA VAL 35 1.750 13.752 6.636 286 HB VAL 35 HB VAL 35 0.319 11.720 6.647 287 1HG1 VAL 35 1HG1 VAL 35 2.733 10.324 7.801 288 2HG1 VAL 35 2HG1 VAL 35 2.024 10.037 6.211 289 3HG1 VAL 35 3HG1 VAL 35 1.109 9.645 7.666 290 1HG2 VAL 35 1HG2 VAL 35 1.733 12.228 9.263 291 2HG2 VAL 35 2HG2 VAL 35 0.160 11.454 9.075 292 3HG2 VAL 35 3HG2 VAL 35 0.371 13.144 8.619 293 H GLU 36 H GLU 36 2.904 14.277 8.513 294 HA GLU 36 HA GLU 36 4.736 14.598 9.812 295 1HB GLU 36 1HB GLU 36 5.377 11.724 9.107 296 2HB GLU 36 2HB GLU 36 6.101 12.654 10.412 297 1HG GLU 36 1HG GLU 36 3.238 11.757 10.178 298 2HG GLU 36 2HG GLU 36 4.441 11.206 11.340 299 H ARG 37 H ARG 37 4.783 14.948 6.865 300 HA ARG 37 HA ARG 37 6.174 15.881 5.342 301 1HB ARG 37 1HB ARG 37 8.267 15.524 7.496 302 2HB ARG 37 2HB ARG 37 8.652 16.165 5.907 303 1HG ARG 37 1HG ARG 37 8.393 18.016 7.363 304 2HG ARG 37 2HG ARG 37 6.971 17.982 6.321 305 1HD ARG 37 1HD ARG 37 5.677 16.935 8.119 306 2HD ARG 37 2HD ARG 37 7.106 16.936 9.155 307 HE ARG 37 HE ARG 37 6.495 19.555 8.216 308 1HH1 ARG 37 1HH1 ARG 37 5.541 17.155 10.583 309 2HH1 ARG 37 2HH1 ARG 37 4.874 18.319 11.675 310 1HH2 ARG 37 1HH2 ARG 37 5.629 21.089 9.682 311 2HH2 ARG 37 2HH2 ARG 37 4.927 20.543 11.170 312 H ARG 38 H ARG 38 5.954 12.828 6.134 313 HA ARG 38 HA ARG 38 7.942 11.898 4.168 314 1HB ARG 38 1HB ARG 38 8.184 10.841 6.361 315 2HB ARG 38 2HB ARG 38 6.492 10.366 6.343 316 1HG ARG 38 1HG ARG 38 7.894 8.471 5.806 317 2HG ARG 38 2HG ARG 38 6.926 8.919 4.401 318 1HD ARG 38 1HD ARG 38 9.175 8.423 3.687 319 2HD ARG 38 2HD ARG 38 8.879 10.152 3.500 320 HE ARG 38 HE ARG 38 10.184 9.282 5.960 321 1HH1 ARG 38 1HH1 ARG 38 10.461 10.785 2.810 322 2HH1 ARG 38 2HH1 ARG 38 12.069 11.371 3.088 323 1HH2 ARG 38 1HH2 ARG 38 12.295 10.072 6.340 324 2HH2 ARG 38 2HH2 ARG 38 13.110 10.965 5.093 325 H ILE 39 H ILE 39 7.215 11.253 2.252 326 HA ILE 39 HA ILE 39 4.458 11.323 1.567 327 HB ILE 39 HB ILE 39 6.309 11.783 -0.046 328 1HG1 ILE 39 1HG1 ILE 39 4.434 9.542 -0.877 329 2HG1 ILE 39 2HG1 ILE 39 4.029 11.255 -0.851 330 1HG2 ILE 39 1HG2 ILE 39 7.493 9.900 -1.091 331 2HG2 ILE 39 2HG2 ILE 39 6.714 8.786 0.033 332 3HG2 ILE 39 3HG2 ILE 39 7.840 10.004 0.634 333 1HD1 ILE 39 1HD1 ILE 39 4.501 10.510 -3.102 334 2HD1 ILE 39 2HD1 ILE 39 6.097 9.947 -2.606 335 3HD1 ILE 39 3HD1 ILE 39 5.720 11.670 -2.574 336 H LEU 40 H LEU 40 3.075 9.603 0.984 337 HA LEU 40 HA LEU 40 3.406 7.175 2.438 338 1HB LEU 40 1HB LEU 40 1.189 8.148 1.913 339 2HB LEU 40 2HB LEU 40 1.464 7.826 0.210 340 HG LEU 40 HG LEU 40 1.536 5.393 0.701 341 1HD1 LEU 40 1HD1 LEU 40 2.280 5.504 3.019 342 2HD1 LEU 40 2HD1 LEU 40 0.789 4.576 2.877 343 3HD1 LEU 40 3HD1 LEU 40 0.742 6.229 3.490 344 1HD2 LEU 40 1HD2 LEU 40 -0.976 6.781 1.656 345 2HD2 LEU 40 2HD2 LEU 40 -0.861 5.114 1.087 346 3HD2 LEU 40 3HD2 LEU 40 -0.555 6.448 -0.024 347 H ASP 41 H ASP 41 5.332 6.254 1.773 348 HA ASP 41 HA ASP 41 5.918 5.768 -0.992 349 1HB ASP 41 1HB ASP 41 7.685 6.105 0.760 350 2HB ASP 41 2HB ASP 41 7.256 4.537 1.435 351 H LEU 42 H LEU 42 4.302 4.588 -1.852 352 HA LEU 42 HA LEU 42 2.951 2.449 -0.694 353 1HB LEU 42 1HB LEU 42 2.639 3.908 -2.941 354 2HB LEU 42 2HB LEU 42 3.289 2.446 -3.653 355 HG LEU 42 HG LEU 42 0.833 2.513 -1.881 356 1HD1 LEU 42 1HD1 LEU 42 1.008 2.448 -4.894 357 2HD1 LEU 42 2HD1 LEU 42 0.407 3.783 -3.910 358 3HD1 LEU 42 3HD1 LEU 42 -0.465 2.250 -3.944 359 1HD2 LEU 42 1HD2 LEU 42 0.410 0.278 -2.811 360 2HD2 LEU 42 2HD2 LEU 42 1.923 0.338 -1.909 361 3HD2 LEU 42 3HD2 LEU 42 1.946 0.350 -3.674 362 H TYR 43 H TYR 43 6.046 2.557 -2.248 363 HA TYR 43 HA TYR 43 6.322 -0.142 -3.021 364 1HB TYR 43 1HB TYR 43 7.856 2.097 -3.300 365 2HB TYR 43 2HB TYR 43 8.759 1.257 -2.048 366 HD1 TYR 43 HD2 TYR 43 8.357 -1.594 -2.950 367 HD2 TYR 43 HD1 TYR 43 9.252 1.939 -5.150 368 HE1 TYR 43 HE2 TYR 43 9.441 -2.953 -4.690 369 HE2 TYR 43 HE1 TYR 43 10.325 0.599 -6.892 370 HH TYR 43 HH TYR 43 9.926 -2.676 -7.210 371 H SER 44 H SER 44 7.355 1.566 -0.077 372 HA SER 44 HA SER 44 8.310 -0.689 1.314 373 1HB SER 44 1HB SER 44 7.160 1.887 2.439 374 2HB SER 44 2HB SER 44 8.147 0.727 3.328 375 HG SER 44 HG SER 44 8.971 2.161 1.011 376 H LEU 45 H LEU 45 5.142 0.823 1.119 377 HA LEU 45 HA LEU 45 3.815 -0.736 3.042 378 1HB LEU 45 1HB LEU 45 2.950 1.375 2.029 379 2HB LEU 45 2HB LEU 45 2.683 0.522 0.525 380 HG LEU 45 HG LEU 45 0.652 0.958 2.024 381 1HD1 LEU 45 1HD1 LEU 45 0.580 -0.585 0.129 382 2HD1 LEU 45 2HD1 LEU 45 -0.410 -1.155 1.471 383 3HD1 LEU 45 3HD1 LEU 45 1.164 -1.888 1.164 384 1HD2 LEU 45 1HD2 LEU 45 1.678 0.331 4.151 385 2HD2 LEU 45 2HD2 LEU 45 1.851 -1.332 3.586 386 3HD2 LEU 45 3HD2 LEU 45 0.245 -0.643 3.820 387 H SER 46 H SER 46 4.460 -1.214 -0.392 388 HA SER 46 HA SER 46 2.889 -3.504 -0.799 389 1HB SER 46 1HB SER 46 5.476 -2.721 -2.178 390 2HB SER 46 2HB SER 46 4.312 -3.904 -2.774 391 HG SER 46 HG SER 46 3.310 -1.384 -2.175 392 H LYS 47 H LYS 47 6.395 -3.229 -0.117 393 HA LYS 47 HA LYS 47 6.842 -6.008 -0.031 394 1HB LYS 47 1HB LYS 47 8.977 -5.478 1.087 395 2HB LYS 47 2HB LYS 47 8.701 -4.478 -0.332 396 1HG LYS 47 1HG LYS 47 8.121 -2.593 1.030 397 2HG LYS 47 2HG LYS 47 8.150 -3.580 2.490 398 1HD LYS 47 1HD LYS 47 10.166 -2.225 2.333 399 2HD LYS 47 2HD LYS 47 10.562 -3.936 2.203 400 1HE LYS 47 1HE LYS 47 10.183 -2.213 -0.236 401 2HE LYS 47 2HE LYS 47 11.729 -2.296 0.604 402 1HZ LYS 47 1HZ LYS 47 10.281 -4.531 -0.706 403 2HZ LYS 47 2HZ LYS 47 11.639 -4.745 0.278 404 3HZ LYS 47 3HZ LYS 47 11.764 -3.860 -1.155 405 H ILE 48 H ILE 48 5.914 -3.697 2.472 406 HA ILE 48 HA ILE 48 6.307 -5.468 4.657 407 HB ILE 48 HB ILE 48 4.622 -2.979 4.373 408 1HG1 ILE 48 1HG1 ILE 48 7.235 -3.539 5.816 409 2HG1 ILE 48 2HG1 ILE 48 7.065 -2.672 4.294 410 1HG2 ILE 48 1HG2 ILE 48 3.579 -4.394 6.066 411 2HG2 ILE 48 2HG2 ILE 48 4.364 -3.012 6.827 412 3HG2 ILE 48 3HG2 ILE 48 5.131 -4.600 6.880 413 1HD1 ILE 48 1HD1 ILE 48 6.008 -1.786 6.970 414 2HD1 ILE 48 2HD1 ILE 48 5.798 -0.922 5.447 415 3HD1 ILE 48 3HD1 ILE 48 7.412 -1.136 6.125 416 H VAL 49 H VAL 49 3.328 -4.564 2.869 417 HA VAL 49 HA VAL 49 1.571 -6.241 4.265 418 HB VAL 49 HB VAL 49 1.464 -5.304 1.378 419 1HG1 VAL 49 1HG1 VAL 49 0.131 -7.343 1.587 420 2HG1 VAL 49 2HG1 VAL 49 -0.915 -5.935 1.398 421 3HG1 VAL 49 3HG1 VAL 49 -0.705 -6.670 2.988 422 1HG2 VAL 49 1HG2 VAL 49 1.343 -3.531 3.077 423 2HG2 VAL 49 2HG2 VAL 49 -0.011 -4.361 3.847 424 3HG2 VAL 49 3HG2 VAL 49 -0.188 -3.708 2.218 425 H VAL 50 H VAL 50 3.539 -6.883 1.367 426 HA VAL 50 HA VAL 50 2.683 -9.521 0.904 427 HB VAL 50 HB VAL 50 5.375 -8.264 0.288 428 1HG1 VAL 50 1HG1 VAL 50 5.543 -10.698 0.244 429 2HG1 VAL 50 2HG1 VAL 50 5.620 -10.051 -1.394 430 3HG1 VAL 50 3HG1 VAL 50 4.133 -10.797 -0.810 431 1HG2 VAL 50 1HG2 VAL 50 3.486 -7.097 -0.755 432 2HG2 VAL 50 2HG2 VAL 50 2.925 -8.616 -1.452 433 3HG2 VAL 50 3HG2 VAL 50 4.468 -7.929 -1.961 434 H GLU 51 H GLU 51 5.249 -8.217 2.969 435 HA GLU 51 HA GLU 51 6.339 -10.685 3.804 436 1HB GLU 51 1HB GLU 51 7.425 -8.476 4.176 437 2HB GLU 51 2HB GLU 51 6.181 -8.086 5.357 438 1HG GLU 51 1HG GLU 51 6.926 -10.135 6.638 439 2HG GLU 51 2HG GLU 51 8.303 -10.212 5.541 440 H GLU 52 H GLU 52 3.691 -8.700 5.000 441 HA GLU 52 HA GLU 52 3.120 -10.233 7.317 442 1HB GLU 52 1HB GLU 52 1.335 -8.369 5.736 443 2HB GLU 52 2HB GLU 52 1.003 -8.954 7.356 444 1HG GLU 52 1HG GLU 52 3.412 -7.297 6.628 445 2HG GLU 52 2HG GLU 52 1.899 -6.626 7.226 446 H GLY 53 H GLY 53 2.161 -10.468 3.961 447 1HA GLY 53 1HA GLY 53 1.743 -12.614 3.024 448 2HA GLY 53 2HA GLY 53 1.115 -13.150 4.571 449 H GLY 54 H GLY 54 -0.365 -10.315 4.364 450 1HA GLY 54 1HA GLY 54 -2.173 -10.385 2.278 451 2HA GLY 54 2HA GLY 54 -2.836 -11.459 3.499 452 H TYR 55 H TYR 55 -3.276 -8.581 2.313 453 HA TYR 55 HA TYR 55 -3.239 -6.618 4.213 454 1HB TYR 55 1HB TYR 55 -3.981 -6.104 2.029 455 2HB TYR 55 2HB TYR 55 -5.246 -7.324 2.079 456 HD1 TYR 55 HD2 TYR 55 -4.441 -4.631 4.519 457 HD2 TYR 55 HD1 TYR 55 -7.223 -6.161 1.702 458 HE1 TYR 55 HE2 TYR 55 -6.075 -2.911 5.196 459 HE2 TYR 55 HE1 TYR 55 -8.839 -4.474 2.345 460 HH TYR 55 HH TYR 55 -9.359 -3.051 4.223 461 H GLU 56 H GLU 56 -5.905 -8.938 3.762 462 HA GLU 56 HA GLU 56 -7.623 -8.118 5.734 463 1HB GLU 56 1HB GLU 56 -8.113 -9.852 4.058 464 2HB GLU 56 2HB GLU 56 -7.036 -10.966 4.881 465 1HG GLU 56 1HG GLU 56 -9.315 -9.796 6.407 466 2HG GLU 56 2HG GLU 56 -9.650 -11.049 5.214 467 H ALA 57 H ALA 57 -4.924 -10.407 6.104 468 HA ALA 57 HA ALA 57 -5.339 -11.009 8.817 469 1HB ALA 57 1HB ALA 57 -2.744 -11.034 7.266 470 2HB ALA 57 2HB ALA 57 -3.910 -12.354 7.347 471 3HB ALA 57 3HB ALA 57 -3.046 -11.853 8.799 472 H ILE 58 H ILE 58 -3.475 -8.460 7.230 473 HA ILE 58 HA ILE 58 -2.186 -7.449 9.536 474 HB ILE 58 HB ILE 58 -2.995 -5.800 7.135 475 1HG1 ILE 58 1HG1 ILE 58 -0.502 -7.495 7.453 476 2HG1 ILE 58 2HG1 ILE 58 -1.864 -7.895 6.411 477 1HG2 ILE 58 1HG2 ILE 58 -2.112 -4.551 9.046 478 2HG2 ILE 58 2HG2 ILE 58 -1.005 -4.493 7.675 479 3HG2 ILE 58 3HG2 ILE 58 -0.663 -5.558 9.039 480 1HD1 ILE 58 1HD1 ILE 58 -0.064 -5.499 6.140 481 2HD1 ILE 58 2HD1 ILE 58 -1.447 -5.864 5.108 482 3HD1 ILE 58 3HD1 ILE 58 -0.053 -6.944 5.130 483 H CYS 59 H CYS 59 -5.257 -6.711 7.969 484 HA CYS 59 HA CYS 59 -6.020 -4.521 9.552 485 1HB CYS 59 1HB CYS 59 -7.131 -5.156 7.424 486 2HB CYS 59 2HB CYS 59 -7.798 -6.583 8.209 487 HG CYS 59 HG CYS 59 -9.889 -4.813 7.974 488 H LYS 60 H LYS 60 -6.603 -8.007 9.914 489 HA LYS 60 HA LYS 60 -8.165 -7.897 12.241 490 1HB LYS 60 1HB LYS 60 -6.288 -10.036 11.216 491 2HB LYS 60 2HB LYS 60 -7.324 -10.259 12.620 492 1HG LYS 60 1HG LYS 60 -8.265 -9.653 9.820 493 2HG LYS 60 2HG LYS 60 -8.303 -11.232 10.611 494 1HD LYS 60 1HD LYS 60 -9.808 -10.321 12.334 495 2HD LYS 60 2HD LYS 60 -9.783 -8.755 11.519 496 1HE LYS 60 1HE LYS 60 -10.785 -9.776 9.531 497 2HE LYS 60 2HE LYS 60 -10.804 -11.343 10.343 498 1HZ LYS 60 1HZ LYS 60 -12.311 -10.450 11.986 499 2HZ LYS 60 2HZ LYS 60 -12.955 -10.227 10.439 500 3HZ LYS 60 3HZ LYS 60 -12.261 -8.925 11.260 501 H ASP 61 H ASP 61 -4.649 -8.387 11.920 502 HA ASP 61 HA ASP 61 -4.285 -8.349 14.779 503 1HB ASP 61 1HB ASP 61 -2.285 -8.404 12.509 504 2HB ASP 61 2HB ASP 61 -1.843 -8.487 14.210 505 H ARG 62 H ARG 62 -4.585 -5.948 12.434 506 HA ARG 62 HA ARG 62 -4.301 -3.689 12.434 507 1HB ARG 62 1HB ARG 62 -3.871 -4.049 15.418 508 2HB ARG 62 2HB ARG 62 -4.215 -2.525 14.608 509 1HG ARG 62 1HG ARG 62 -6.072 -4.902 14.640 510 2HG ARG 62 2HG ARG 62 -6.179 -3.529 15.743 511 1HD ARG 62 1HD ARG 62 -6.749 -2.040 13.997 512 2HD ARG 62 2HD ARG 62 -6.254 -3.186 12.749 513 HE ARG 62 HE ARG 62 -8.176 -4.586 13.581 514 1HH1 ARG 62 1HH1 ARG 62 -8.235 -1.082 13.793 515 2HH1 ARG 62 2HH1 ARG 62 -9.969 -1.000 13.793 516 1HH2 ARG 62 1HH2 ARG 62 -10.422 -4.475 13.581 517 2HH2 ARG 62 2HH2 ARG 62 -11.216 -2.935 13.650 518 H ARG 63 H ARG 63 -2.102 -5.233 11.724 519 HA ARG 63 HA ARG 63 0.248 -4.618 13.219 520 1HB ARG 63 1HB ARG 63 0.088 -5.538 10.340 521 2HB ARG 63 2HB ARG 63 1.480 -5.657 11.405 522 1HG ARG 63 1HG ARG 63 0.273 -7.242 12.820 523 2HG ARG 63 2HG ARG 63 -1.139 -7.109 11.769 524 1HD ARG 63 1HD ARG 63 0.273 -7.926 9.881 525 2HD ARG 63 2HD ARG 63 1.586 -8.185 11.029 526 HE ARG 63 HE ARG 63 -0.874 -9.513 11.732 527 1HH1 ARG 63 1HH1 ARG 63 2.139 -9.782 9.937 528 2HH1 ARG 63 2HH1 ARG 63 2.094 -11.516 9.904 529 1HH2 ARG 63 1HH2 ARG 63 -0.929 -11.765 11.693 530 2HH2 ARG 63 2HH2 ARG 63 0.345 -12.652 10.907 531 H TRP 64 H TRP 64 -1.605 -2.765 11.124 532 HA TRP 64 HA TRP 64 0.200 -1.265 9.649 533 1HB TRP 64 1HB TRP 64 -2.290 -0.188 10.998 534 2HB TRP 64 2HB TRP 64 -1.483 0.490 9.587 535 HD1 TRP 64 HD1 TRP 64 -4.388 -1.492 10.402 536 HE1 TRP 64 HE1 TRP 64 -5.225 -2.846 8.382 537 HE3 TRP 64 HE3 TRP 64 -0.259 -1.127 7.380 538 HZ2 TRP 64 HZ2 TRP 64 -4.276 -3.641 5.873 539 HZ3 TRP 64 HZ3 TRP 64 -0.321 -2.218 5.181 540 HH2 TRP 64 HH2 TRP 64 -2.291 -3.456 4.441 541 H ALA 65 H ALA 65 -0.392 -1.288 13.044 542 HA ALA 65 HA ALA 65 0.581 1.203 13.828 543 1HB ALA 65 1HB ALA 65 -0.534 -0.366 15.348 544 2HB ALA 65 2HB ALA 65 1.018 0.165 15.993 545 3HB ALA 65 3HB ALA 65 0.865 -1.436 15.270 546 H ARG 66 H ARG 66 2.364 -1.878 13.418 547 HA ARG 66 HA ARG 66 4.880 -0.649 14.025 548 1HB ARG 66 1HB ARG 66 5.886 -2.754 13.673 549 2HB ARG 66 2HB ARG 66 4.316 -3.112 14.375 550 1HG ARG 66 1HG ARG 66 3.438 -3.771 12.236 551 2HG ARG 66 2HG ARG 66 4.905 -3.229 11.419 552 1HD ARG 66 1HD ARG 66 6.172 -4.918 12.804 553 2HD ARG 66 2HD ARG 66 4.609 -5.546 13.328 554 HE ARG 66 HE ARG 66 4.159 -6.006 10.922 555 1HH1 ARG 66 1HH1 ARG 66 7.477 -5.748 12.059 556 2HH1 ARG 66 2HH1 ARG 66 8.119 -6.707 10.765 557 1HH2 ARG 66 1HH2 ARG 66 5.011 -7.283 9.255 558 2HH2 ARG 66 2HH2 ARG 66 6.721 -7.569 9.161 559 H VAL 67 H VAL 67 3.018 -1.222 11.151 560 HA VAL 67 HA VAL 67 5.027 -0.870 9.201 561 HB VAL 67 HB VAL 67 2.097 -0.099 9.010 562 1HG1 VAL 67 1HG1 VAL 67 3.454 0.893 7.230 563 2HG1 VAL 67 2HG1 VAL 67 2.387 -0.357 6.590 564 3HG1 VAL 67 3HG1 VAL 67 4.102 -0.698 6.827 565 1HG2 VAL 67 1HG2 VAL 67 3.463 -2.709 8.332 566 2HG2 VAL 67 2HG2 VAL 67 1.777 -2.319 7.988 567 3HG2 VAL 67 3HG2 VAL 67 2.333 -2.433 9.658 568 H ALA 68 H ALA 68 2.647 1.450 10.469 569 HA ALA 68 HA ALA 68 3.736 3.752 9.317 570 1HB ALA 68 1HB ALA 68 2.422 4.997 10.941 571 2HB ALA 68 2HB ALA 68 2.206 3.542 11.915 572 3HB ALA 68 3HB ALA 68 1.484 3.645 10.309 573 H GLN 69 H GLN 69 4.320 2.228 12.463 574 HA GLN 69 HA GLN 69 6.153 4.065 13.500 575 1HB GLN 69 1HB GLN 69 5.178 2.352 14.892 576 2HB GLN 69 2HB GLN 69 5.880 1.078 13.909 577 1HG GLN 69 1HG GLN 69 7.759 2.980 15.200 578 2HG GLN 69 2HG GLN 69 6.909 1.847 16.247 579 1HE2 GLN 69 2HE2 GLN 69 7.277 -0.375 15.989 580 2HE2 GLN 69 1HE2 GLN 69 8.677 -0.978 15.176 581 H ARG 70 H ARG 70 6.617 1.335 11.308 582 HA ARG 70 HA ARG 70 9.427 1.348 11.200 583 1HB ARG 70 1HB ARG 70 7.845 -0.425 10.301 584 2HB ARG 70 2HB ARG 70 7.543 0.631 8.934 585 1HG ARG 70 1HG ARG 70 10.317 -0.303 9.628 586 2HG ARG 70 2HG ARG 70 9.223 -1.277 8.647 587 1HD ARG 70 1HD ARG 70 9.019 0.701 7.096 588 2HD ARG 70 2HD ARG 70 10.317 1.465 8.016 589 HE ARG 70 HE ARG 70 11.180 -1.084 7.244 590 1HH1 ARG 70 1HH1 ARG 70 10.446 2.027 5.800 591 2HH1 ARG 70 2HH1 ARG 70 11.444 1.753 4.407 592 1HH2 ARG 70 1HH2 ARG 70 12.508 -1.427 5.428 593 2HH2 ARG 70 2HH2 ARG 70 12.619 -0.203 4.197 594 H LEU 71 H LEU 71 6.962 3.096 9.345 595 HA LEU 71 HA LEU 71 8.954 4.612 7.877 596 1HB LEU 71 1HB LEU 71 5.946 4.683 7.967 597 2HB LEU 71 2HB LEU 71 6.858 5.933 7.143 598 HG LEU 71 HG LEU 71 7.879 4.173 5.691 599 1HD1 LEU 71 1HD1 LEU 71 6.841 1.960 5.598 600 2HD1 LEU 71 2HD1 LEU 71 5.873 2.353 7.019 601 3HD1 LEU 71 3HD1 LEU 71 7.629 2.247 7.149 602 1HD2 LEU 71 1HD2 LEU 71 4.863 4.316 5.648 603 2HD2 LEU 71 2HD2 LEU 71 5.895 3.825 4.303 604 3HD2 LEU 71 3HD2 LEU 71 5.973 5.476 4.916 605 H ASN 72 H ASN 72 8.032 4.727 10.973 606 HA ASN 72 HA ASN 72 8.648 6.129 12.638 607 1HB ASN 72 1HB ASN 72 9.702 7.815 10.364 608 2HB ASN 72 2HB ASN 72 9.810 8.324 12.044 609 1HD2 ASN 72 2HD2 ASN 72 10.148 4.995 10.920 610 2HD2 ASN 72 1HD2 ASN 72 11.814 4.835 11.345 611 H TYR 73 H TYR 73 6.042 6.271 11.123 612 HA TYR 73 HA TYR 73 5.061 8.925 11.715 613 1HB TYR 73 1HB TYR 73 3.500 6.397 11.125 614 2HB TYR 73 2HB TYR 73 2.859 8.032 11.121 615 HD1 TYR 73 HD2 TYR 73 5.153 9.366 9.619 616 HD2 TYR 73 HD1 TYR 73 3.010 5.752 8.925 617 HE1 TYR 73 HE2 TYR 73 5.633 9.541 7.217 618 HE2 TYR 73 HE1 TYR 73 3.487 5.916 6.528 619 HH TYR 73 HH TYR 73 4.052 7.737 4.876 620 HA PRO 74 HA PRO 74 3.808 8.391 15.985 621 1HB PRO 74 1HB PRO 74 1.107 9.286 15.055 622 2HB PRO 74 2HB PRO 74 2.091 9.887 16.395 623 1HG PRO 74 1HG PRO 74 1.910 11.280 14.140 624 2HG PRO 74 2HG PRO 74 3.458 11.149 14.998 625 1HD PRO 74 1HD PRO 74 2.540 9.739 12.520 626 2HD PRO 74 2HD PRO 74 4.150 10.369 12.930 627 HA PRO 75 HA PRO 75 1.891 4.303 15.632 628 1HB PRO 75 1HB PRO 75 2.176 3.669 18.282 629 2HB PRO 75 2HB PRO 75 3.490 3.540 17.110 630 1HG PRO 75 1HG PRO 75 2.906 5.731 19.070 631 2HG PRO 75 2HG PRO 75 4.460 4.970 18.671 632 1HD PRO 75 1HD PRO 75 3.735 7.362 17.656 633 2HD PRO 75 2HD PRO 75 4.704 6.202 16.723 634 H GLY 76 H GLY 76 0.471 3.395 18.008 635 1HA GLY 76 1HA GLY 76 -1.565 3.593 19.073 636 2HA GLY 76 2HA GLY 76 -1.503 5.323 18.766 637 H LYS 77 H LYS 77 -1.080 3.289 16.076 638 HA LYS 77 HA LYS 77 -2.240 2.909 14.182 639 1HB LYS 77 1HB LYS 77 -4.629 2.911 16.045 640 2HB LYS 77 2HB LYS 77 -4.684 2.420 14.361 641 1HG LYS 77 1HG LYS 77 -4.520 0.389 15.427 642 2HG LYS 77 2HG LYS 77 -2.830 0.723 15.058 643 1HD LYS 77 1HD LYS 77 -3.039 -0.108 17.333 644 2HD LYS 77 2HD LYS 77 -2.521 1.579 17.358 645 1HE LYS 77 1HE LYS 77 -4.814 2.285 17.833 646 2HE LYS 77 2HE LYS 77 -5.356 0.609 17.765 647 1HZ LYS 77 1HZ LYS 77 -3.397 1.684 19.720 648 2HZ LYS 77 2HZ LYS 77 -4.011 0.109 19.681 649 3HZ LYS 77 3HZ LYS 77 -5.034 1.404 20.039 650 H ASN 78 H ASN 78 -2.064 5.784 15.451 651 HA ASN 78 HA ASN 78 -4.295 7.249 14.586 652 1HB ASN 78 1HB ASN 78 -1.426 8.067 15.059 653 2HB ASN 78 2HB ASN 78 -2.647 9.224 14.541 654 1HD2 ASN 78 2HD2 ASN 78 -1.438 7.331 17.162 655 2HD2 ASN 78 1HD2 ASN 78 -2.482 7.967 18.381 656 H ILE 79 H ILE 79 -1.118 6.950 12.946 657 HA ILE 79 HA ILE 79 -2.282 7.930 10.479 658 HB ILE 79 HB ILE 79 0.504 6.841 10.973 659 1HG1 ILE 79 1HG1 ILE 79 0.231 8.813 12.310 660 2HG1 ILE 79 2HG1 ILE 79 1.137 9.291 10.878 661 1HG2 ILE 79 1HG2 ILE 79 -0.119 6.714 8.618 662 2HG2 ILE 79 2HG2 ILE 79 1.099 7.964 8.871 663 3HG2 ILE 79 3HG2 ILE 79 -0.590 8.415 8.634 664 1HD1 ILE 79 1HD1 ILE 79 -1.802 9.749 11.347 665 2HD1 ILE 79 2HD1 ILE 79 -0.907 10.210 9.899 666 3HD1 ILE 79 3HD1 ILE 79 -0.519 10.953 11.450 667 H GLY 80 H GLY 80 -1.742 4.907 12.005 668 1HA GLY 80 1HA GLY 80 -1.612 3.156 9.819 669 2HA GLY 80 2HA GLY 80 -2.291 2.762 11.393 670 H SER 81 H SER 81 -4.368 4.671 11.415 671 HA SER 81 HA SER 81 -6.413 3.368 9.983 672 1HB SER 81 1HB SER 81 -6.427 6.164 11.164 673 2HB SER 81 2HB SER 81 -7.846 5.196 10.762 674 HG SER 81 HG SER 81 -6.073 4.974 12.903 675 H LEU 82 H LEU 82 -4.696 6.420 9.416 676 HA LEU 82 HA LEU 82 -5.975 7.277 7.093 677 1HB LEU 82 1HB LEU 82 -4.321 8.562 8.487 678 2HB LEU 82 2HB LEU 82 -3.042 7.580 7.815 679 HG LEU 82 HG LEU 82 -3.375 9.944 6.878 680 1HD1 LEU 82 1HD1 LEU 82 -1.900 8.350 5.816 681 2HD1 LEU 82 2HD1 LEU 82 -2.787 9.264 4.596 682 3HD1 LEU 82 3HD1 LEU 82 -3.261 7.607 4.976 683 1HD2 LEU 82 1HD2 LEU 82 -5.655 8.571 5.451 684 2HD2 LEU 82 2HD2 LEU 82 -5.022 10.175 5.086 685 3HD2 LEU 82 3HD2 LEU 82 -5.799 9.867 6.638 686 H LEU 83 H LEU 83 -3.249 5.099 7.552 687 HA LEU 83 HA LEU 83 -2.589 4.640 4.867 688 1HB LEU 83 1HB LEU 83 -1.118 4.052 6.717 689 2HB LEU 83 2HB LEU 83 -2.274 2.869 7.296 690 HG LEU 83 HG LEU 83 -1.899 1.491 5.300 691 1HD1 LEU 83 1HD1 LEU 83 0.129 3.591 4.524 692 2HD1 LEU 83 2HD1 LEU 83 -1.394 3.264 3.698 693 3HD1 LEU 83 3HD1 LEU 83 -0.121 2.045 3.712 694 1HD2 LEU 83 1HD2 LEU 83 -0.512 1.121 7.278 695 2HD2 LEU 83 2HD2 LEU 83 0.665 2.294 6.686 696 3HD2 LEU 83 3HD2 LEU 83 0.392 0.793 5.801 697 H ARG 84 H ARG 84 -4.649 2.719 7.073 698 HA ARG 84 HA ARG 84 -5.414 0.780 5.186 699 1HB ARG 84 1HB ARG 84 -5.720 0.645 7.694 700 2HB ARG 84 2HB ARG 84 -7.091 1.730 7.528 701 1HG ARG 84 1HG ARG 84 -6.971 -0.875 6.027 702 2HG ARG 84 2HG ARG 84 -7.531 -0.803 7.695 703 1HD ARG 84 1HD ARG 84 -9.329 0.695 7.072 704 2HD ARG 84 2HD ARG 84 -8.721 0.793 5.420 705 HE ARG 84 HE ARG 84 -9.267 -1.898 6.117 706 1HH1 ARG 84 1HH1 ARG 84 -10.874 1.092 5.279 707 2HH1 ARG 84 2HH1 ARG 84 -12.246 0.308 4.562 708 1HH2 ARG 84 1HH2 ARG 84 -11.093 -2.951 5.193 709 2HH2 ARG 84 2HH2 ARG 84 -12.374 -1.989 4.525 710 H SER 85 H SER 85 -6.798 3.916 6.010 711 HA SER 85 HA SER 85 -9.177 3.744 4.571 712 1HB SER 85 1HB SER 85 -7.461 6.174 5.155 713 2HB SER 85 2HB SER 85 -9.115 6.241 4.545 714 HG SER 85 HG SER 85 -8.182 5.351 7.058 715 H HIS 86 H HIS 86 -6.035 5.104 3.513 716 HA HIS 86 HA HIS 86 -6.958 5.527 0.841 717 1HB HIS 86 1HB HIS 86 -4.195 5.532 2.056 718 2HB HIS 86 2HB HIS 86 -4.454 5.766 0.329 719 HD1 HIS 86 HD1 HIS 86 -5.981 7.896 -0.310 720 HD2 HIS 86 HD2 HIS 86 -4.496 7.780 3.565 721 HE1 HIS 86 HE1 HIS 86 -6.181 10.244 0.559 722 HE2 HIS 86 HE2 HIS 86 -5.442 10.110 2.959 723 H TYR 87 H TYR 87 -5.563 2.807 2.495 724 HA TYR 87 HA TYR 87 -4.708 1.338 0.250 725 1HB TYR 87 1HB TYR 87 -4.188 0.698 2.611 726 2HB TYR 87 2HB TYR 87 -5.869 0.221 2.825 727 HD1 TYR 87 HD2 TYR 87 -6.783 -1.644 1.311 728 HD2 TYR 87 HD1 TYR 87 -2.620 -0.839 1.714 729 HE1 TYR 87 HE2 TYR 87 -6.290 -3.869 0.433 730 HE2 TYR 87 HE1 TYR 87 -2.105 -3.073 0.819 731 HH TYR 87 HH TYR 87 -3.174 -5.263 0.568 732 H GLU 88 H GLU 88 -7.794 1.314 2.015 733 HA GLU 88 HA GLU 88 -9.154 -0.647 0.675 734 1HB GLU 88 1HB GLU 88 -10.068 0.521 2.627 735 2HB GLU 88 2HB GLU 88 -10.281 1.983 1.672 736 1HG GLU 88 1HG GLU 88 -11.821 0.603 0.180 737 2HG GLU 88 2HG GLU 88 -11.775 -0.620 1.449 738 H ARG 89 H ARG 89 -8.792 2.738 -0.322 739 HA ARG 89 HA ARG 89 -10.512 2.323 -2.626 740 1HB ARG 89 1HB ARG 89 -10.485 4.444 -1.226 741 2HB ARG 89 2HB ARG 89 -8.925 4.807 -1.951 742 1HG ARG 89 1HG ARG 89 -10.602 6.012 -3.151 743 2HG ARG 89 2HG ARG 89 -10.014 4.716 -4.195 744 1HD ARG 89 1HD ARG 89 -12.379 4.743 -4.416 745 2HD ARG 89 2HD ARG 89 -11.989 3.343 -3.417 746 HE ARG 89 HE ARG 89 -13.207 5.863 -2.501 747 1HH1 ARG 89 1HH1 ARG 89 -12.320 2.535 -1.840 748 2HH1 ARG 89 2HH1 ARG 89 -13.257 2.446 -0.385 749 1HH2 ARG 89 1HH2 ARG 89 -14.463 5.725 -0.613 750 2HH2 ARG 89 2HH2 ARG 89 -14.486 4.252 0.305 751 H ILE 90 H ILE 90 -7.117 3.292 -2.081 752 HA ILE 90 HA ILE 90 -6.623 3.329 -4.939 753 HB ILE 90 HB ILE 90 -4.673 3.843 -2.681 754 1HG1 ILE 90 1HG1 ILE 90 -6.575 5.392 -2.533 755 2HG1 ILE 90 2HG1 ILE 90 -5.115 6.236 -3.030 756 1HG2 ILE 90 1HG2 ILE 90 -3.382 5.068 -4.380 757 2HG2 ILE 90 2HG2 ILE 90 -4.552 4.580 -5.609 758 3HG2 ILE 90 3HG2 ILE 90 -3.571 3.362 -4.793 759 1HD1 ILE 90 1HD1 ILE 90 -7.386 5.398 -4.820 760 2HD1 ILE 90 2HD1 ILE 90 -5.910 6.206 -5.350 761 3HD1 ILE 90 3HD1 ILE 90 -7.028 7.034 -4.264 762 H VAL 91 H VAL 91 -5.337 1.531 -2.126 763 HA VAL 91 HA VAL 91 -3.414 0.223 -3.880 764 HB VAL 91 HB VAL 91 -3.675 -0.035 -0.879 765 1HG1 VAL 91 1HG1 VAL 91 -1.301 -0.720 -1.003 766 2HG1 VAL 91 2HG1 VAL 91 -1.399 -0.675 -2.763 767 3HG1 VAL 91 3HG1 VAL 91 -2.375 -1.829 -1.856 768 1HG2 VAL 91 1HG2 VAL 91 -3.347 2.305 -1.471 769 2HG2 VAL 91 2HG2 VAL 91 -1.971 1.876 -2.487 770 3HG2 VAL 91 3HG2 VAL 91 -1.883 1.646 -0.741 771 H TYR 92 H TYR 92 -6.410 -0.587 -2.328 772 HA TYR 92 HA TYR 92 -5.950 -3.312 -1.855 773 1HB TYR 92 1HB TYR 92 -7.949 -1.775 -1.114 774 2HB TYR 92 2HB TYR 92 -8.704 -2.366 -2.590 775 HD1 TYR 92 HD1 TYR 92 -6.790 -5.050 -1.756 776 HD2 TYR 92 HD2 TYR 92 -10.134 -2.950 -0.227 777 HE1 TYR 92 HE1 TYR 92 -7.516 -7.071 -0.577 778 HE2 TYR 92 HE2 TYR 92 -10.858 -4.952 0.954 779 HH TYR 92 HH TYR 92 -10.611 -7.298 0.944 780 HA PRO 93 HA PRO 93 -7.676 -4.001 -6.470 781 1HB PRO 93 1HB PRO 93 -6.300 -1.559 -7.530 782 2HB PRO 93 2HB PRO 93 -7.772 -2.356 -8.100 783 1HG PRO 93 1HG PRO 93 -7.928 -0.097 -6.708 784 2HG PRO 93 2HG PRO 93 -9.089 -1.409 -6.427 785 1HD PRO 93 1HD PRO 93 -6.736 -0.573 -4.779 786 2HD PRO 93 2HD PRO 93 -8.325 -1.169 -4.258 787 H TYR 94 H TYR 94 -4.693 -2.452 -5.420 788 HA TYR 94 HA TYR 94 -3.022 -3.890 -7.262 789 1HB TYR 94 1HB TYR 94 -2.497 -1.991 -5.000 790 2HB TYR 94 2HB TYR 94 -1.176 -2.953 -5.659 791 HD1 TYR 94 HD1 TYR 94 -0.520 -2.696 -8.034 792 HD2 TYR 94 HD2 TYR 94 -3.388 -0.113 -6.230 793 HE1 TYR 94 HE1 TYR 94 -0.235 -1.095 -9.874 794 HE2 TYR 94 HE2 TYR 94 -3.095 1.492 -8.053 795 HH TYR 94 HH TYR 94 -1.446 2.074 -9.756 796 H GLU 95 H GLU 95 -4.270 -4.507 -4.069 797 HA GLU 95 HA GLU 95 -2.532 -6.556 -3.267 798 1HB GLU 95 1HB GLU 95 -4.343 -5.773 -1.812 799 2HB GLU 95 2HB GLU 95 -5.547 -6.349 -2.952 800 1HG GLU 95 1HG GLU 95 -5.497 -7.912 -1.190 801 2HG GLU 95 2HG GLU 95 -4.675 -8.676 -2.546 802 H MET 96 H MET 96 -5.521 -6.733 -5.165 803 HA MET 96 HA MET 96 -5.315 -9.426 -5.934 804 1HB MET 96 1HB MET 96 -6.670 -7.142 -7.390 805 2HB MET 96 2HB MET 96 -6.951 -8.848 -7.692 806 1HG MET 96 1HG MET 96 -7.478 -7.563 -5.025 807 2HG MET 96 2HG MET 96 -8.679 -7.627 -6.309 808 1HE MET 96 1HE MET 96 -6.979 -9.467 -3.386 809 2HE MET 96 2HE MET 96 -6.059 -10.220 -4.687 810 3HE MET 96 3HE MET 96 -7.210 -11.176 -3.754 811 H TYR 97 H TYR 97 -4.232 -6.449 -7.529 812 HA TYR 97 HA TYR 97 -3.317 -7.655 -9.913 813 1HB TYR 97 1HB TYR 97 -3.742 -5.286 -9.851 814 2HB TYR 97 2HB TYR 97 -2.572 -5.052 -8.560 815 HD1 TYR 97 HD2 TYR 97 -2.726 -6.319 -12.090 816 HD2 TYR 97 HD1 TYR 97 -0.465 -4.266 -9.120 817 HE1 TYR 97 HE2 TYR 97 -0.986 -5.827 -13.757 818 HE2 TYR 97 HE1 TYR 97 1.276 -3.773 -10.778 819 HH TYR 97 HH TYR 97 2.098 -4.617 -12.888 820 H GLN 98 H GLN 98 -1.314 -6.316 -7.271 821 HA GLN 98 HA GLN 98 1.095 -7.350 -8.243 822 1HB GLN 98 1HB GLN 98 0.886 -5.477 -6.600 823 2HB GLN 98 2HB GLN 98 0.463 -6.656 -5.365 824 1HG GLN 98 1HG GLN 98 2.655 -7.734 -5.659 825 2HG GLN 98 2HG GLN 98 3.076 -6.522 -6.870 826 1HE2 GLN 98 2HE2 GLN 98 3.485 -4.395 -6.202 827 2HE2 GLN 98 1HE2 GLN 98 3.807 -3.997 -4.554 828 H SER 99 H SER 99 -0.954 -8.566 -5.551 829 HA SER 99 HA SER 99 0.685 -10.861 -5.169 830 1HB SER 99 1HB SER 99 -2.158 -10.317 -4.272 831 2HB SER 99 2HB SER 99 -1.158 -11.660 -3.712 832 HG SER 99 HG SER 99 -1.253 -9.360 -2.602 833 H GLY 100 H GLY 100 -2.130 -10.182 -7.180 834 1HA GLY 100 1HA GLY 100 -2.597 -12.840 -8.045 835 2HA GLY 100 2HA GLY 100 -3.008 -11.381 -8.939 836 H ALA 101 H ALA 101 -0.149 -10.506 -8.811 837 HA ALA 101 HA ALA 101 0.816 -11.987 -11.118 838 1HB ALA 101 1HB ALA 101 2.496 -10.241 -11.298 839 2HB ALA 101 2HB ALA 101 2.005 -9.580 -9.737 840 3HB ALA 101 3HB ALA 101 0.893 -9.533 -11.105 841 H ASN 102 H ASN 102 1.571 -11.669 -7.707 842 HA ASN 102 HA ASN 102 4.063 -13.197 -8.063 843 1HB ASN 102 1HB ASN 102 2.990 -11.644 -5.694 844 2HB ASN 102 2HB ASN 102 4.442 -12.636 -5.624 845 1HD2 ASN 102 2HD2 ASN 102 3.040 -9.693 -6.775 846 2HD2 ASN 102 1HD2 ASN 102 4.509 -8.959 -7.316 847 H LEU 103 H LEU 103 1.350 -13.154 -5.751 848 HA LEU 103 HA LEU 103 0.605 -15.823 -5.950 849 1HB LEU 103 1HB LEU 103 1.549 -16.710 -3.796 850 2HB LEU 103 2HB LEU 103 2.720 -16.506 -5.081 851 HG LEU 103 HG LEU 103 3.244 -14.227 -3.900 852 1HD1 LEU 103 1HD1 LEU 103 2.953 -14.287 -1.468 853 2HD1 LEU 103 2HD1 LEU 103 1.996 -15.761 -1.619 854 3HD1 LEU 103 3HD1 LEU 103 1.405 -14.250 -2.310 855 1HD2 LEU 103 1HD2 LEU 103 4.085 -16.863 -2.691 856 2HD2 LEU 103 2HD2 LEU 103 4.931 -15.324 -2.516 857 3HD2 LEU 103 3HD2 LEU 103 4.811 -16.088 -4.099 858 H VAL 104 H VAL 104 -1.224 -16.222 -4.650 859 HA VAL 104 HA VAL 104 -1.965 -14.142 -2.723 860 HB VAL 104 HB VAL 104 -2.853 -13.340 -4.855 861 1HG1 VAL 104 1HG1 VAL 104 -4.567 -14.595 -6.088 862 2HG1 VAL 104 2HG1 VAL 104 -4.348 -15.963 -4.996 863 3HG1 VAL 104 3HG1 VAL 104 -3.028 -15.457 -6.050 864 1HG2 VAL 104 1HG2 VAL 104 -5.021 -14.394 -3.031 865 2HG2 VAL 104 2HG2 VAL 104 -5.214 -13.101 -4.216 866 3HG2 VAL 104 3HG2 VAL 104 -4.139 -12.879 -2.837 867 H CYS 105 H CYS 105 -3.084 -14.890 -1.029 868 HA CYS 105 HA CYS 105 -4.382 -17.530 -1.221 869 1HB CYS 105 1HB CYS 105 -2.751 -16.504 1.120 870 2HB CYS 105 2HB CYS 105 -3.614 -18.037 1.062 871 HG CYS 105 HG CYS 105 -1.913 -18.515 -1.440 872 H ASN 106 H ASN 106 -4.580 -14.250 -0.340 873 HA ASN 106 HA ASN 106 -6.759 -14.635 1.562 874 1HB ASN 106 1HB ASN 106 -6.667 -12.177 1.841 875 2HB ASN 106 2HB ASN 106 -5.114 -12.949 2.135 876 1HD2 ASN 106 2HD2 ASN 106 -5.763 -10.190 1.404 877 2HD2 ASN 106 1HD2 ASN 106 -4.849 -9.860 -0.022 878 H THR 107 H THR 107 -6.971 -15.219 -1.387 879 HA THR 107 HA THR 107 -8.452 -13.364 -2.798 880 HB THR 107 HB THR 107 -8.836 -16.368 -2.913 881 HG1 THR 107 HG1 THR 107 -6.964 -16.486 -3.943 882 1HG2 THR 107 1HG2 THR 107 -9.155 -14.229 -5.032 883 2HG2 THR 107 2HG2 THR 107 -10.468 -15.104 -4.244 884 3HG2 THR 107 3HG2 THR 107 -9.336 -15.966 -5.287 885 H ARG 108 H ARG 108 -9.617 -15.773 -0.452 886 HA ARG 108 HA ARG 108 -12.390 -15.123 -0.993 887 1HB ARG 108 1HB ARG 108 -11.212 -16.975 1.092 888 2HB ARG 108 2HB ARG 108 -12.922 -16.823 0.713 889 1HG ARG 108 1HG ARG 108 -12.512 -17.665 -1.541 890 2HG ARG 108 2HG ARG 108 -10.786 -17.781 -1.192 891 1HD ARG 108 1HD ARG 108 -11.763 -19.965 -0.958 892 2HD ARG 108 2HD ARG 108 -11.313 -19.378 0.642 893 HE ARG 108 HE ARG 108 -14.088 -19.209 -0.358 894 1HH1 ARG 108 1HH1 ARG 108 -11.802 -20.110 2.141 895 2HH1 ARG 108 2HH1 ARG 108 -13.025 -20.662 3.235 896 1HH2 ARG 108 1HH2 ARG 108 -15.696 -19.926 1.085 897 2HH2 ARG 108 2HH2 ARG 108 -15.243 -20.545 2.643 898 HA PRO 109 HA PRO 109 -12.094 -13.542 3.643 899 1HB PRO 109 1HB PRO 109 -9.584 -12.581 4.318 900 2HB PRO 109 2HB PRO 109 -10.238 -14.146 4.805 901 1HG PRO 109 1HG PRO 109 -8.386 -13.482 2.555 902 2HG PRO 109 2HG PRO 109 -8.350 -14.863 3.667 903 1HD PRO 109 1HD PRO 109 -9.272 -15.114 1.163 904 2HD PRO 109 2HD PRO 109 -10.020 -15.997 2.510 905 H PHE 110 H PHE 110 -10.722 -12.273 0.794 906 HA PHE 110 HA PHE 110 -10.515 -9.558 1.166 907 1HB PHE 110 1HB PHE 110 -10.269 -10.902 -0.990 908 2HB PHE 110 2HB PHE 110 -12.018 -10.859 -1.130 909 HD1 PHE 110 HD2 PHE 110 -12.948 -8.268 -0.813 910 HD2 PHE 110 HD1 PHE 110 -9.155 -9.458 -2.348 911 HE1 PHE 110 HE2 PHE 110 -12.781 -6.145 -2.049 912 HE2 PHE 110 HE1 PHE 110 -8.991 -7.341 -3.587 913 HZ PHE 110 HZ PHE 110 -10.806 -5.685 -3.441 914 H ASP 111 H ASP 111 -13.488 -11.297 0.278 915 HA ASP 111 HA ASP 111 -15.297 -9.193 0.678 916 1HB ASP 111 1HB ASP 111 -15.896 -11.179 -0.596 917 2HB ASP 111 2HB ASP 111 -15.714 -12.194 0.829 918 H ASN 112 H ASN 112 -13.912 -11.523 2.882 919 HA ASN 112 HA ASN 112 -15.699 -11.169 5.035 920 1HB ASN 112 1HB ASN 112 -12.791 -12.019 5.084 921 2HB ASN 112 2HB ASN 112 -13.898 -12.139 6.446 922 1HD2 ASN 112 2HD2 ASN 112 -13.758 -14.335 6.613 923 2HD2 ASN 112 1HD2 ASN 112 -14.410 -15.422 5.438 924 H GLU 113 H GLU 113 -12.777 -9.418 4.053 925 HA GLU 113 HA GLU 113 -12.766 -7.842 6.472 926 1HB GLU 113 1HB GLU 113 -10.778 -6.933 5.764 927 2HB GLU 113 2HB GLU 113 -10.753 -8.439 4.870 928 1HG GLU 113 1HG GLU 113 -10.074 -6.905 3.289 929 2HG GLU 113 2HG GLU 113 -11.795 -7.056 2.947 930 H GLU 114 H GLU 114 -13.973 -7.525 3.183 931 HA GLU 114 HA GLU 114 -14.775 -4.828 3.311 932 1HB GLU 114 1HB GLU 114 -16.067 -7.121 1.806 933 2HB GLU 114 2HB GLU 114 -16.446 -5.422 1.560 934 1HG GLU 114 1HG GLU 114 -14.010 -5.084 0.976 935 2HG GLU 114 2HG GLU 114 -13.859 -6.840 0.967 936 H LYS 115 H LYS 115 -16.372 -7.788 4.382 937 HA LYS 115 HA LYS 115 -18.717 -6.415 5.353 938 1HB LYS 115 1HB LYS 115 -18.779 -8.780 4.598 939 2HB LYS 115 2HB LYS 115 -17.720 -9.221 5.929 940 1HG LYS 115 1HG LYS 115 -20.024 -9.790 6.436 941 2HG LYS 115 2HG LYS 115 -19.443 -8.534 7.532 942 1HD LYS 115 1HD LYS 115 -20.616 -6.831 6.263 943 2HD LYS 115 2HD LYS 115 -21.101 -8.021 5.054 944 1HE LYS 115 1HE LYS 115 -22.949 -7.544 6.551 945 2HE LYS 115 2HE LYS 115 -22.410 -9.207 6.766 946 1HZ LYS 115 1HZ LYS 115 -22.845 -8.135 8.881 947 2HZ LYS 115 2HZ LYS 115 -21.720 -6.921 8.532 948 3HZ LYS 115 3HZ LYS 115 -21.200 -8.515 8.747 949 H ASP 116 H ASP 116 -15.681 -7.560 6.623 950 HA ASP 116 HA ASP 116 -14.545 -7.260 8.538 951 1HB ASP 116 1HB ASP 116 -14.990 -4.859 8.096 952 2HB ASP 116 2HB ASP 116 -16.465 -4.974 9.054 953 H LYS 117 H LYS 117 -14.832 -8.987 9.741 954 HA LYS 117 HA LYS 117 -17.284 -9.386 11.275 955 1HB LYS 117 1HB LYS 117 -14.860 -11.180 10.951 956 2HB LYS 117 2HB LYS 117 -16.358 -11.618 11.759 957 1HG LYS 117 1HG LYS 117 -16.100 -10.930 8.832 958 2HG LYS 117 2HG LYS 117 -16.184 -12.562 9.497 959 1HD LYS 117 1HD LYS 117 -18.413 -12.062 10.414 960 2HD LYS 117 2HD LYS 117 -18.327 -10.440 9.719 961 1HE LYS 117 1HE LYS 117 -19.646 -11.925 8.304 962 2HE LYS 117 2HE LYS 117 -18.178 -11.408 7.474 963 1HZ LYS 117 1HZ LYS 117 -17.166 -13.545 8.087 964 2HZ LYS 117 2HZ LYS 117 -18.543 -13.745 7.129 965 3HZ LYS 117 3HZ LYS 117 -18.624 -14.035 8.794 Start of MODEL 19 1 1H SER 1 1H SER 1 4.809 17.403 -3.527 2 2H SER 1 2H SER 1 5.212 16.164 -4.602 3 3H SER 1 3H SER 1 6.269 16.569 -3.349 4 HA SER 1 HA SER 1 4.722 15.818 -1.706 5 1HB SER 1 1HB SER 1 2.964 15.022 -4.047 6 2HB SER 1 2HB SER 1 2.586 14.845 -2.332 7 HG SER 1 HG SER 1 1.808 16.780 -2.432 8 H MET 2 H MET 2 5.089 14.258 -4.879 9 HA MET 2 HA MET 2 5.352 11.630 -3.750 10 1HB MET 2 1HB MET 2 5.759 12.609 -6.585 11 2HB MET 2 2HB MET 2 5.733 10.919 -6.094 12 1HG MET 2 1HG MET 2 3.415 11.218 -5.297 13 2HG MET 2 2HG MET 2 3.451 12.877 -5.891 14 1HE MET 2 1HE MET 2 3.696 9.143 -8.598 15 2HE MET 2 2HE MET 2 3.549 9.085 -6.842 16 3HE MET 2 3HE MET 2 5.041 9.662 -7.582 17 H ASN 3 H ASN 3 7.431 14.052 -3.618 18 HA ASN 3 HA ASN 3 9.778 13.654 -4.777 19 1HB ASN 3 1HB ASN 3 9.361 15.390 -3.078 20 2HB ASN 3 2HB ASN 3 9.515 14.175 -1.813 21 1HD2 ASN 3 2HD2 ASN 3 11.479 14.391 -4.740 22 2HD2 ASN 3 1HD2 ASN 3 12.970 14.723 -3.926 23 H GLU 4 H GLU 4 8.829 11.732 -1.908 24 HA GLU 4 HA GLU 4 11.275 10.289 -1.811 25 1HB GLU 4 1HB GLU 4 9.853 10.429 0.155 26 2HB GLU 4 2HB GLU 4 8.556 9.585 -0.681 27 1HG GLU 4 1HG GLU 4 9.823 8.182 0.938 28 2HG GLU 4 2HG GLU 4 9.786 7.542 -0.703 29 H LEU 5 H LEU 5 8.189 9.671 -3.390 30 HA LEU 5 HA LEU 5 8.937 7.091 -4.400 31 1HB LEU 5 1HB LEU 5 6.561 8.338 -4.076 32 2HB LEU 5 2HB LEU 5 6.834 8.709 -5.763 33 HG LEU 5 HG LEU 5 5.410 6.723 -5.448 34 1HD1 LEU 5 1HD1 LEU 5 6.542 5.219 -6.980 35 2HD1 LEU 5 2HD1 LEU 5 8.076 6.036 -6.677 36 3HD1 LEU 5 3HD1 LEU 5 6.759 6.898 -7.476 37 1HD2 LEU 5 1HD2 LEU 5 7.847 5.466 -4.183 38 2HD2 LEU 5 2HD2 LEU 5 6.336 4.642 -4.571 39 3HD2 LEU 5 3HD2 LEU 5 6.358 5.912 -3.349 40 H GLU 6 H GLU 6 9.703 10.298 -5.190 41 HA GLU 6 HA GLU 6 10.628 9.570 -7.892 42 1HB GLU 6 1HB GLU 6 10.514 12.292 -6.567 43 2HB GLU 6 2HB GLU 6 10.911 11.972 -8.250 44 1HG GLU 6 1HG GLU 6 8.653 11.145 -8.641 45 2HG GLU 6 2HG GLU 6 8.249 11.417 -6.946 46 H ALA 7 H ALA 7 11.748 9.834 -4.729 47 HA ALA 7 HA ALA 7 14.172 11.240 -5.055 48 1HB ALA 7 1HB ALA 7 13.031 11.022 -2.903 49 2HB ALA 7 2HB ALA 7 14.709 10.486 -2.806 50 3HB ALA 7 3HB ALA 7 13.405 9.299 -2.879 51 H GLN 8 H GLN 8 13.887 7.785 -4.171 52 HA GLN 8 HA GLN 8 16.621 7.289 -4.643 53 1HB GLN 8 1HB GLN 8 14.521 5.129 -4.746 54 2HB GLN 8 2HB GLN 8 16.170 5.023 -4.152 55 1HG GLN 8 1HG GLN 8 13.887 6.486 -2.832 56 2HG GLN 8 2HG GLN 8 14.575 4.947 -2.323 57 1HE2 GLN 8 2HE2 GLN 8 14.302 7.477 -0.878 58 2HE2 GLN 8 1HE2 GLN 8 15.901 7.909 -0.376 59 H THR 9 H THR 9 17.678 6.239 -6.390 60 HA THR 9 HA THR 9 16.397 7.060 -8.877 61 HB THR 9 HB THR 9 19.303 6.365 -8.392 62 HG1 THR 9 HG1 THR 9 18.876 8.152 -7.167 63 1HG2 THR 9 1HG2 THR 9 18.645 6.269 -10.759 64 2HG2 THR 9 2HG2 THR 9 19.700 7.648 -10.451 65 3HG2 THR 9 3HG2 THR 9 17.964 7.890 -10.639 66 H ARG 10 H ARG 10 15.903 5.811 -10.500 67 HA ARG 10 HA ARG 10 15.534 4.041 -11.850 68 1HB ARG 10 1HB ARG 10 18.122 3.029 -10.650 69 2HB ARG 10 2HB ARG 10 17.335 2.346 -12.069 70 1HG ARG 10 1HG ARG 10 17.685 4.362 -13.318 71 2HG ARG 10 2HG ARG 10 18.274 5.205 -11.885 72 1HD ARG 10 1HD ARG 10 20.182 3.645 -11.782 73 2HD ARG 10 2HD ARG 10 19.601 2.861 -13.252 74 HE ARG 10 HE ARG 10 19.815 5.384 -14.076 75 1HH1 ARG 10 1HH1 ARG 10 22.056 3.444 -12.201 76 2HH1 ARG 10 2HH1 ARG 10 23.462 4.233 -12.852 77 1HH2 ARG 10 1HH2 ARG 10 21.671 6.428 -14.904 78 2HH2 ARG 10 2HH2 ARG 10 23.246 5.919 -14.375 79 H VAL 11 H VAL 11 15.247 3.792 -8.604 80 HA VAL 11 HA VAL 11 14.004 1.141 -8.859 81 HB VAL 11 HB VAL 11 15.651 1.124 -7.085 82 1HG1 VAL 11 1HG1 VAL 11 15.765 3.501 -6.590 83 2HG1 VAL 11 2HG1 VAL 11 15.489 2.572 -5.116 84 3HG1 VAL 11 3HG1 VAL 11 14.154 3.445 -5.871 85 1HG2 VAL 11 1HG2 VAL 11 12.856 1.203 -5.940 86 2HG2 VAL 11 2HG2 VAL 11 14.254 0.423 -5.198 87 3HG2 VAL 11 3HG2 VAL 11 13.617 -0.180 -6.729 88 H LYS 12 H LYS 12 13.549 4.396 -7.489 89 HA LYS 12 HA LYS 12 10.749 3.918 -6.976 90 1HB LYS 12 1HB LYS 12 12.482 6.388 -6.809 91 2HB LYS 12 2HB LYS 12 10.756 6.426 -6.500 92 1HG LYS 12 1HG LYS 12 12.763 4.783 -4.964 93 2HG LYS 12 2HG LYS 12 12.073 6.320 -4.438 94 1HD LYS 12 1HD LYS 12 9.805 5.249 -4.560 95 2HD LYS 12 2HD LYS 12 10.609 3.712 -4.886 96 1HE LYS 12 1HE LYS 12 10.146 3.736 -2.563 97 2HE LYS 12 2HE LYS 12 11.874 4.052 -2.720 98 1HZ LYS 12 1HZ LYS 12 11.298 6.473 -2.529 99 2HZ LYS 12 2HZ LYS 12 11.024 5.563 -1.136 100 3HZ LYS 12 3HZ LYS 12 9.724 6.002 -2.118 101 H LEU 13 H LEU 13 12.700 5.452 -9.445 102 HA LEU 13 HA LEU 13 10.721 6.900 -10.792 103 1HB LEU 13 1HB LEU 13 13.172 5.579 -11.975 104 2HB LEU 13 2HB LEU 13 12.253 6.884 -12.703 105 HG LEU 13 HG LEU 13 13.851 7.070 -10.139 106 1HD1 LEU 13 1HD1 LEU 13 14.393 8.226 -12.876 107 2HD1 LEU 13 2HD1 LEU 13 15.269 6.896 -12.116 108 3HD1 LEU 13 3HD1 LEU 13 15.347 8.513 -11.421 109 1HD2 LEU 13 1HD2 LEU 13 11.899 8.532 -10.078 110 2HD2 LEU 13 2HD2 LEU 13 12.332 9.204 -11.650 111 3HD2 LEU 13 3HD2 LEU 13 13.378 9.477 -10.256 112 H ASN 14 H ASN 14 12.010 3.652 -11.530 113 HA ASN 14 HA ASN 14 10.295 3.107 -13.688 114 1HB ASN 14 1HB ASN 14 11.502 1.064 -11.794 115 2HB ASN 14 2HB ASN 14 10.984 0.790 -13.454 116 1HD2 ASN 14 2HD2 ASN 14 12.974 0.075 -14.145 117 2HD2 ASN 14 1HD2 ASN 14 14.355 1.106 -14.280 118 H TYR 15 H TYR 15 10.063 2.358 -10.247 119 HA TYR 15 HA TYR 15 7.643 0.947 -10.283 120 1HB TYR 15 1HB TYR 15 9.150 0.962 -8.350 121 2HB TYR 15 2HB TYR 15 8.842 2.675 -8.100 122 HD1 TYR 15 HD1 TYR 15 7.273 -0.690 -7.993 123 HD2 TYR 15 HD2 TYR 15 6.951 3.402 -6.853 124 HE1 TYR 15 HE1 TYR 15 5.394 -1.253 -6.511 125 HE2 TYR 15 HE2 TYR 15 5.068 2.845 -5.371 126 HH TYR 15 HH TYR 15 3.347 1.066 -5.167 127 H LEU 16 H LEU 16 8.354 4.393 -10.075 128 HA LEU 16 HA LEU 16 5.769 5.341 -9.522 129 1HB LEU 16 1HB LEU 16 7.966 6.621 -9.451 130 2HB LEU 16 2HB LEU 16 7.864 6.750 -11.193 131 HG LEU 16 HG LEU 16 5.717 7.842 -9.360 132 1HD1 LEU 16 1HD1 LEU 16 8.122 9.289 -10.477 133 2HD1 LEU 16 2HD1 LEU 16 7.838 8.898 -8.780 134 3HD1 LEU 16 3HD1 LEU 16 6.775 10.033 -9.612 135 1HD2 LEU 16 1HD2 LEU 16 6.437 8.431 -12.240 136 2HD2 LEU 16 2HD2 LEU 16 5.195 9.265 -11.305 137 3HD2 LEU 16 3HD2 LEU 16 5.015 7.551 -11.673 138 H ASP 17 H ASP 17 7.475 4.784 -12.573 139 HA ASP 17 HA ASP 17 5.494 5.676 -14.322 140 1HB ASP 17 1HB ASP 17 7.827 5.126 -14.983 141 2HB ASP 17 2HB ASP 17 7.462 3.415 -14.784 142 H GLN 18 H GLN 18 6.124 2.336 -13.187 143 HA GLN 18 HA GLN 18 3.853 1.308 -14.577 144 1HB GLN 18 1HB GLN 18 4.323 -0.814 -13.365 145 2HB GLN 18 2HB GLN 18 5.698 -0.162 -14.237 146 1HG GLN 18 1HG GLN 18 6.778 -0.695 -12.334 147 2HG GLN 18 2HG GLN 18 6.197 0.889 -11.825 148 1HE2 GLN 18 2HE2 GLN 18 4.629 1.012 -10.235 149 2HE2 GLN 18 1HE2 GLN 18 4.093 -0.359 -9.334 150 H ILE 19 H ILE 19 4.286 2.583 -11.343 151 HA ILE 19 HA ILE 19 1.869 1.428 -10.278 152 HB ILE 19 HB ILE 19 3.893 2.284 -8.906 153 1HG1 ILE 19 1HG1 ILE 19 2.367 3.065 -7.019 154 2HG1 ILE 19 2HG1 ILE 19 1.031 2.925 -8.158 155 1HG2 ILE 19 1HG2 ILE 19 3.796 4.600 -8.148 156 2HG2 ILE 19 2HG2 ILE 19 2.446 4.912 -9.239 157 3HG2 ILE 19 3HG2 ILE 19 4.034 4.514 -9.892 158 1HD1 ILE 19 1HD1 ILE 19 2.850 0.701 -7.267 159 2HD1 ILE 19 2HD1 ILE 19 1.538 0.546 -8.436 160 3HD1 ILE 19 3HD1 ILE 19 1.182 0.965 -6.760 161 H ALA 20 H ALA 20 2.782 4.356 -11.935 162 HA ALA 20 HA ALA 20 0.287 5.715 -11.553 163 1HB ALA 20 1HB ALA 20 2.462 6.201 -13.597 164 2HB ALA 20 2HB ALA 20 2.364 6.942 -12.000 165 3HB ALA 20 3HB ALA 20 1.134 7.298 -13.213 166 H LYS 21 H LYS 21 1.705 3.646 -14.025 167 HA LYS 21 HA LYS 21 -0.332 4.003 -15.958 168 1HB LYS 21 1HB LYS 21 1.801 1.922 -15.534 169 2HB LYS 21 2HB LYS 21 0.607 1.721 -16.805 170 1HG LYS 21 1HG LYS 21 1.832 4.364 -16.869 171 2HG LYS 21 2HG LYS 21 3.024 3.071 -17.000 172 1HD LYS 21 1HD LYS 21 2.250 3.744 -19.214 173 2HD LYS 21 2HD LYS 21 1.753 2.088 -18.862 174 1HE LYS 21 1HE LYS 21 -0.486 2.994 -18.183 175 2HE LYS 21 2HE LYS 21 0.043 4.575 -18.764 176 1HZ LYS 21 1HZ LYS 21 0.426 3.507 -20.959 177 2HZ LYS 21 2HZ LYS 21 -1.195 3.526 -20.479 178 3HZ LYS 21 3HZ LYS 21 -0.297 2.097 -20.361 179 H PHE 22 H PHE 22 0.283 1.110 -13.923 180 HA PHE 22 HA PHE 22 -1.969 -0.276 -14.770 181 1HB PHE 22 1HB PHE 22 -0.245 -1.443 -13.557 182 2HB PHE 22 2HB PHE 22 -0.496 -0.442 -12.129 183 HD1 PHE 22 HD1 PHE 22 -2.126 -3.008 -14.276 184 HD2 PHE 22 HD2 PHE 22 -2.055 -1.062 -10.492 185 HE1 PHE 22 HE1 PHE 22 -3.783 -4.612 -13.422 186 HE2 PHE 22 HE2 PHE 22 -3.709 -2.659 -9.627 187 HZ PHE 22 HZ PHE 22 -4.580 -4.440 -11.095 188 H TRP 23 H TRP 23 -1.642 2.010 -12.100 189 HA TRP 23 HA TRP 23 -4.256 1.495 -11.077 190 1HB TRP 23 1HB TRP 23 -2.416 2.251 -9.630 191 2HB TRP 23 2HB TRP 23 -2.367 3.787 -10.488 192 HD1 TRP 23 HD1 TRP 23 -3.227 5.489 -8.797 193 HE1 TRP 23 HE1 TRP 23 -5.327 5.737 -7.344 194 HE3 TRP 23 HE3 TRP 23 -5.340 0.907 -9.624 195 HZ2 TRP 23 HZ2 TRP 23 -7.576 4.193 -6.618 196 HZ3 TRP 23 HZ3 TRP 23 -7.467 0.373 -8.509 197 HH2 TRP 23 HH2 TRP 23 -8.561 1.981 -7.035 198 H GLU 24 H GLU 24 -2.901 3.866 -13.339 199 HA GLU 24 HA GLU 24 -5.156 5.621 -13.238 200 1HB GLU 24 1HB GLU 24 -2.959 6.358 -14.083 201 2HB GLU 24 2HB GLU 24 -3.100 5.244 -15.438 202 1HG GLU 24 1HG GLU 24 -5.027 6.482 -16.276 203 2HG GLU 24 2HG GLU 24 -4.932 7.581 -14.900 204 H ILE 25 H ILE 25 -4.237 2.864 -15.211 205 HA ILE 25 HA ILE 25 -6.490 3.060 -16.979 206 HB ILE 25 HB ILE 25 -4.671 0.678 -16.526 207 1HG1 ILE 25 1HG1 ILE 25 -3.298 2.597 -17.088 208 2HG1 ILE 25 2HG1 ILE 25 -3.397 1.540 -18.491 209 1HG2 ILE 25 1HG2 ILE 25 -5.310 0.050 -18.816 210 2HG2 ILE 25 2HG2 ILE 25 -6.409 1.428 -18.883 211 3HG2 ILE 25 3HG2 ILE 25 -6.706 0.116 -17.741 212 1HD1 ILE 25 1HD1 ILE 25 -3.562 3.857 -19.148 213 2HD1 ILE 25 2HD1 ILE 25 -4.940 4.092 -18.073 214 3HD1 ILE 25 3HD1 ILE 25 -5.083 3.025 -19.472 215 H GLN 26 H GLN 26 -5.976 1.844 -13.842 216 HA GLN 26 HA GLN 26 -8.044 -0.170 -13.875 217 1HB GLN 26 1HB GLN 26 -5.872 0.250 -12.295 218 2HB GLN 26 2HB GLN 26 -7.114 0.974 -11.287 219 1HG GLN 26 1HG GLN 26 -7.029 -1.865 -12.295 220 2HG GLN 26 2HG GLN 26 -6.754 -1.318 -10.644 221 1HE2 GLN 26 2HE2 GLN 26 -8.537 -0.610 -9.413 222 2HE2 GLN 26 1HE2 GLN 26 -10.154 -1.039 -9.839 223 H GLY 27 H GLY 27 -9.014 2.270 -14.849 224 1HA GLY 27 1HA GLY 27 -10.823 3.656 -14.683 225 2HA GLY 27 2HA GLY 27 -11.425 2.534 -13.475 226 H SER 28 H SER 28 -8.418 4.294 -13.059 227 HA SER 28 HA SER 28 -9.671 6.178 -11.219 228 1HB SER 28 1HB SER 28 -7.621 4.143 -10.291 229 2HB SER 28 2HB SER 28 -8.288 5.454 -9.315 230 HG SER 28 HG SER 28 -9.596 3.159 -10.328 231 H SER 29 H SER 29 -7.578 7.212 -9.941 232 HA SER 29 HA SER 29 -5.445 7.729 -11.886 233 1HB SER 29 1HB SER 29 -5.543 10.168 -11.196 234 2HB SER 29 2HB SER 29 -6.911 9.618 -12.163 235 HG SER 29 HG SER 29 -7.061 10.836 -9.898 236 H LEU 30 H LEU 30 -3.443 8.410 -10.888 237 HA LEU 30 HA LEU 30 -3.046 6.959 -8.451 238 1HB LEU 30 1HB LEU 30 -1.394 6.917 -10.266 239 2HB LEU 30 2HB LEU 30 -1.093 8.630 -10.034 240 HG LEU 30 HG LEU 30 -0.196 8.189 -7.789 241 1HD1 LEU 30 1HD1 LEU 30 -0.702 5.279 -8.427 242 2HD1 LEU 30 2HD1 LEU 30 -1.530 6.236 -7.199 243 3HD1 LEU 30 3HD1 LEU 30 0.189 5.886 -7.032 244 1HD2 LEU 30 1HD2 LEU 30 1.318 8.167 -9.713 245 2HD2 LEU 30 2HD2 LEU 30 1.047 6.435 -9.904 246 3HD2 LEU 30 3HD2 LEU 30 1.850 7.048 -8.458 247 H LYS 31 H LYS 31 -3.663 7.787 -6.595 248 HA LYS 31 HA LYS 31 -2.454 10.298 -5.743 249 1HB LYS 31 1HB LYS 31 -5.407 9.709 -5.674 250 2HB LYS 31 2HB LYS 31 -4.681 10.778 -4.483 251 1HG LYS 31 1HG LYS 31 -4.683 11.162 -7.474 252 2HG LYS 31 2HG LYS 31 -5.626 12.069 -6.287 253 1HD LYS 31 1HD LYS 31 -3.478 12.833 -5.259 254 2HD LYS 31 2HD LYS 31 -2.615 12.039 -6.579 255 1HE LYS 31 1HE LYS 31 -2.814 14.373 -7.097 256 2HE LYS 31 2HE LYS 31 -3.876 13.475 -8.181 257 1HZ LYS 31 1HZ LYS 31 -5.750 14.062 -6.782 258 2HZ LYS 31 2HZ LYS 31 -4.945 15.455 -7.301 259 3HZ LYS 31 3HZ LYS 31 -4.732 14.898 -5.718 260 H ILE 32 H ILE 32 -1.184 9.636 -4.177 261 HA ILE 32 HA ILE 32 -2.380 8.106 -1.968 262 HB ILE 32 HB ILE 32 0.001 7.302 -1.475 263 1HG1 ILE 32 1HG1 ILE 32 0.378 8.120 -4.374 264 2HG1 ILE 32 2HG1 ILE 32 1.212 8.809 -2.986 265 1HG2 ILE 32 1HG2 ILE 32 -1.769 5.831 -2.288 266 2HG2 ILE 32 2HG2 ILE 32 -0.209 5.381 -2.977 267 3HG2 ILE 32 3HG2 ILE 32 -1.383 6.265 -3.953 268 1HD1 ILE 32 1HD1 ILE 32 2.648 7.274 -4.176 269 2HD1 ILE 32 2HD1 ILE 32 1.463 5.982 -3.991 270 3HD1 ILE 32 3HD1 ILE 32 2.280 6.640 -2.572 271 HA PRO 33 HA PRO 33 -1.683 12.180 -0.226 272 1HB PRO 33 1HB PRO 33 -2.574 10.778 2.248 273 2HB PRO 33 2HB PRO 33 -3.192 12.259 1.506 274 1HG PRO 33 1HG PRO 33 -4.567 9.986 1.330 275 2HG PRO 33 2HG PRO 33 -4.479 11.101 -0.049 276 1HD PRO 33 1HD PRO 33 -2.994 8.535 0.413 277 2HD PRO 33 2HD PRO 33 -3.720 9.164 -1.082 278 H ASN 34 H ASN 34 -0.553 13.096 1.675 279 HA ASN 34 HA ASN 34 1.729 11.432 2.501 280 1HB ASN 34 1HB ASN 34 3.067 13.501 2.589 281 2HB ASN 34 2HB ASN 34 2.457 13.189 0.971 282 1HD2 ASN 34 2HD2 ASN 34 3.340 15.680 2.230 283 2HD2 ASN 34 1HD2 ASN 34 2.018 16.780 2.085 284 H VAL 35 H VAL 35 2.514 11.681 4.535 285 HA VAL 35 HA VAL 35 0.983 13.286 6.428 286 HB VAL 35 HB VAL 35 0.004 10.986 6.448 287 1HG1 VAL 35 1HG1 VAL 35 2.004 9.720 5.858 288 2HG1 VAL 35 2HG1 VAL 35 1.290 9.116 7.353 289 3HG1 VAL 35 3HG1 VAL 35 2.734 10.126 7.412 290 1HG2 VAL 35 1HG2 VAL 35 1.456 11.773 8.979 291 2HG2 VAL 35 2HG2 VAL 35 0.085 10.669 8.883 292 3HG2 VAL 35 3HG2 VAL 35 -0.119 12.366 8.450 293 H GLU 36 H GLU 36 2.210 14.010 8.184 294 HA GLU 36 HA GLU 36 4.050 14.587 9.370 295 1HB GLU 36 1HB GLU 36 5.043 11.849 8.552 296 2HB GLU 36 2HB GLU 36 5.769 12.863 9.789 297 1HG GLU 36 1HG GLU 36 3.046 11.581 9.836 298 2HG GLU 36 2HG GLU 36 4.421 11.221 10.874 299 H ARG 37 H ARG 37 3.840 15.003 6.445 300 HA ARG 37 HA ARG 37 4.938 16.315 4.964 301 1HB ARG 37 1HB ARG 37 7.145 16.176 7.011 302 2HB ARG 37 2HB ARG 37 7.411 16.917 5.441 303 1HG ARG 37 1HG ARG 37 6.892 18.618 7.060 304 2HG ARG 37 2HG ARG 37 5.578 18.500 5.892 305 1HD ARG 37 1HD ARG 37 4.258 17.210 7.491 306 2HD ARG 37 2HD ARG 37 5.586 17.269 8.650 307 HE ARG 37 HE ARG 37 4.757 19.877 7.816 308 1HH1 ARG 37 1HH1 ARG 37 3.921 17.239 9.970 309 2HH1 ARG 37 2HH1 ARG 37 3.153 18.268 11.134 310 1HH2 ARG 37 1HH2 ARG 37 3.718 21.225 9.352 311 2HH2 ARG 37 2HH2 ARG 37 3.029 20.517 10.781 312 H ARG 38 H ARG 38 5.241 13.215 5.369 313 HA ARG 38 HA ARG 38 6.934 12.952 2.975 314 1HB ARG 38 1HB ARG 38 6.984 11.333 5.487 315 2HB ARG 38 2HB ARG 38 7.240 10.493 3.962 316 1HG ARG 38 1HG ARG 38 9.084 12.050 3.442 317 2HG ARG 38 2HG ARG 38 8.862 12.807 5.020 318 1HD ARG 38 1HD ARG 38 9.629 10.919 6.166 319 2HD ARG 38 2HD ARG 38 9.348 9.852 4.789 320 HE ARG 38 HE ARG 38 11.238 11.616 3.908 321 1HH1 ARG 38 1HH1 ARG 38 11.051 9.468 6.672 322 2HH1 ARG 38 2HH1 ARG 38 12.748 9.112 6.660 323 1HH2 ARG 38 1HH2 ARG 38 13.452 11.152 3.891 324 2HH2 ARG 38 2HH2 ARG 38 14.117 10.060 5.067 325 H ILE 39 H ILE 39 6.151 11.712 1.354 326 HA ILE 39 HA ILE 39 3.349 11.297 1.246 327 HB ILE 39 HB ILE 39 4.624 11.848 -0.769 328 1HG1 ILE 39 1HG1 ILE 39 3.320 9.112 -0.920 329 2HG1 ILE 39 2HG1 ILE 39 2.490 10.659 -1.031 330 1HG2 ILE 39 1HG2 ILE 39 5.871 9.110 -0.489 331 2HG2 ILE 39 2HG2 ILE 39 6.692 10.653 -0.250 332 3HG2 ILE 39 3HG2 ILE 39 6.094 10.213 -1.849 333 1HD1 ILE 39 1HD1 ILE 39 4.502 9.580 -2.990 334 2HD1 ILE 39 2HD1 ILE 39 3.692 11.144 -3.104 335 3HD1 ILE 39 3HD1 ILE 39 2.754 9.655 -3.212 336 H LEU 40 H LEU 40 2.173 9.378 1.164 337 HA LEU 40 HA LEU 40 3.086 7.224 2.767 338 1HB LEU 40 1HB LEU 40 0.696 7.921 2.470 339 2HB LEU 40 2HB LEU 40 0.753 7.297 0.834 340 HG LEU 40 HG LEU 40 1.154 5.023 1.726 341 1HD1 LEU 40 1HD1 LEU 40 0.750 6.321 4.425 342 2HD1 LEU 40 2HD1 LEU 40 2.256 5.629 3.821 343 3HD1 LEU 40 3HD1 LEU 40 0.865 4.587 4.117 344 1HD2 LEU 40 1HD2 LEU 40 -1.292 6.398 2.858 345 2HD2 LEU 40 2HD2 LEU 40 -1.106 4.663 2.590 346 3HD2 LEU 40 3HD2 LEU 40 -1.120 5.768 1.218 347 H ASP 41 H ASP 41 4.901 6.270 1.975 348 HA ASP 41 HA ASP 41 5.361 5.892 -0.812 349 1HB ASP 41 1HB ASP 41 7.171 6.301 0.872 350 2HB ASP 41 2HB ASP 41 6.897 4.680 1.503 351 H LEU 42 H LEU 42 3.894 4.605 -1.717 352 HA LEU 42 HA LEU 42 2.737 2.295 -0.679 353 1HB LEU 42 1HB LEU 42 2.293 3.822 -2.842 354 2HB LEU 42 2HB LEU 42 3.132 2.505 -3.630 355 HG LEU 42 HG LEU 42 0.620 2.181 -1.962 356 1HD1 LEU 42 1HD1 LEU 42 0.171 3.470 -3.982 357 2HD1 LEU 42 2HD1 LEU 42 -0.544 1.862 -4.082 358 3HD1 LEU 42 3HD1 LEU 42 0.941 2.221 -4.963 359 1HD2 LEU 42 1HD2 LEU 42 2.064 0.230 -3.765 360 2HD2 LEU 42 2HD2 LEU 42 0.514 -0.054 -2.972 361 3HD2 LEU 42 3HD2 LEU 42 1.972 0.154 -2.004 362 H TYR 43 H TYR 43 5.830 2.769 -2.160 363 HA TYR 43 HA TYR 43 6.280 0.173 -3.180 364 1HB TYR 43 1HB TYR 43 7.592 2.436 -3.522 365 2HB TYR 43 2HB TYR 43 8.535 1.872 -2.149 366 HD1 TYR 43 HD2 TYR 43 8.246 -1.163 -3.034 367 HD2 TYR 43 HD1 TYR 43 9.482 2.399 -5.014 368 HE1 TYR 43 HE2 TYR 43 9.614 -2.499 -4.578 369 HE2 TYR 43 HE1 TYR 43 10.843 1.074 -6.560 370 HH TYR 43 HH TYR 43 10.547 -2.265 -6.878 371 H SER 44 H SER 44 7.670 1.683 -0.261 372 HA SER 44 HA SER 44 8.679 -0.679 0.862 373 1HB SER 44 1HB SER 44 8.742 0.646 3.000 374 2HB SER 44 2HB SER 44 9.476 1.477 1.630 375 HG SER 44 HG SER 44 7.695 2.778 1.462 376 H LEU 45 H LEU 45 5.581 0.949 1.199 377 HA LEU 45 HA LEU 45 4.412 -0.630 3.172 378 1HB LEU 45 1HB LEU 45 3.459 1.473 2.316 379 2HB LEU 45 2HB LEU 45 3.128 0.712 0.776 380 HG LEU 45 HG LEU 45 1.174 1.065 2.417 381 1HD1 LEU 45 1HD1 LEU 45 0.053 -0.975 1.717 382 2HD1 LEU 45 2HD1 LEU 45 1.598 -1.691 1.263 383 3HD1 LEU 45 3HD1 LEU 45 0.986 -0.286 0.389 384 1HD2 LEU 45 1HD2 LEU 45 0.821 -0.703 4.059 385 2HD2 LEU 45 2HD2 LEU 45 2.280 0.218 4.420 386 3HD2 LEU 45 3HD2 LEU 45 2.407 -1.381 3.686 387 H SER 46 H SER 46 4.507 -1.060 -0.347 388 HA SER 46 HA SER 46 2.846 -3.316 -0.475 389 1HB SER 46 1HB SER 46 3.383 -1.992 -2.466 390 2HB SER 46 2HB SER 46 5.076 -2.468 -2.352 391 HG SER 46 HG SER 46 2.855 -4.186 -2.827 392 H LYS 47 H LYS 47 6.420 -3.078 -0.398 393 HA LYS 47 HA LYS 47 6.836 -5.867 -0.485 394 1HB LYS 47 1HB LYS 47 9.115 -5.442 0.212 395 2HB LYS 47 2HB LYS 47 8.630 -4.238 -0.970 396 1HG LYS 47 1HG LYS 47 8.425 -2.556 0.682 397 2HG LYS 47 2HG LYS 47 8.548 -3.727 1.994 398 1HD LYS 47 1HD LYS 47 10.778 -3.238 0.020 399 2HD LYS 47 2HD LYS 47 10.618 -2.328 1.522 400 1HE LYS 47 1HE LYS 47 12.178 -4.098 1.908 401 2HE LYS 47 2HE LYS 47 10.691 -4.511 2.758 402 1HZ LYS 47 1HZ LYS 47 11.704 -6.391 1.553 403 2HZ LYS 47 2HZ LYS 47 11.453 -5.578 0.096 404 3HZ LYS 47 3HZ LYS 47 10.131 -6.060 1.030 405 H ILE 48 H ILE 48 6.294 -3.635 2.200 406 HA ILE 48 HA ILE 48 6.899 -5.463 4.278 407 HB ILE 48 HB ILE 48 5.131 -3.015 4.225 408 1HG1 ILE 48 1HG1 ILE 48 7.839 -3.559 5.482 409 2HG1 ILE 48 2HG1 ILE 48 7.561 -2.646 4.003 410 1HG2 ILE 48 1HG2 ILE 48 5.052 -3.149 6.689 411 2HG2 ILE 48 2HG2 ILE 48 5.838 -4.726 6.618 412 3HG2 ILE 48 3HG2 ILE 48 4.230 -4.510 5.925 413 1HD1 ILE 48 1HD1 ILE 48 6.632 -1.881 6.763 414 2HD1 ILE 48 2HD1 ILE 48 6.315 -0.973 5.285 415 3HD1 ILE 48 3HD1 ILE 48 7.969 -1.164 5.864 416 H VAL 49 H VAL 49 3.824 -4.630 2.676 417 HA VAL 49 HA VAL 49 2.156 -6.343 4.139 418 HB VAL 49 HB VAL 49 1.929 -5.474 1.235 419 1HG1 VAL 49 1HG1 VAL 49 -0.456 -6.061 1.410 420 2HG1 VAL 49 2HG1 VAL 49 -0.170 -6.729 3.016 421 3HG1 VAL 49 3HG1 VAL 49 0.580 -7.475 1.604 422 1HG2 VAL 49 1HG2 VAL 49 0.611 -4.388 3.731 423 2HG2 VAL 49 2HG2 VAL 49 0.351 -3.810 2.085 424 3HG2 VAL 49 3HG2 VAL 49 1.930 -3.623 2.845 425 H VAL 50 H VAL 50 4.124 -6.938 1.244 426 HA VAL 50 HA VAL 50 3.370 -9.611 0.791 427 HB VAL 50 HB VAL 50 6.040 -8.286 0.222 428 1HG1 VAL 50 1HG1 VAL 50 6.364 -10.064 -1.443 429 2HG1 VAL 50 2HG1 VAL 50 4.866 -10.833 -0.914 430 3HG1 VAL 50 3HG1 VAL 50 6.239 -10.721 0.189 431 1HG2 VAL 50 1HG2 VAL 50 5.161 -7.988 -2.053 432 2HG2 VAL 50 2HG2 VAL 50 4.176 -7.140 -0.861 433 3HG2 VAL 50 3HG2 VAL 50 3.614 -8.665 -1.544 434 H GLU 51 H GLU 51 5.965 -8.216 2.779 435 HA GLU 51 HA GLU 51 7.103 -10.601 3.722 436 1HB GLU 51 1HB GLU 51 6.833 -7.911 5.095 437 2HB GLU 51 2HB GLU 51 7.858 -9.218 5.670 438 1HG GLU 51 1HG GLU 51 8.143 -7.832 3.009 439 2HG GLU 51 2HG GLU 51 9.100 -7.487 4.447 440 H GLU 52 H GLU 52 4.468 -8.628 4.969 441 HA GLU 52 HA GLU 52 3.957 -10.250 7.254 442 1HB GLU 52 1HB GLU 52 2.213 -8.180 5.902 443 2HB GLU 52 2HB GLU 52 1.968 -8.822 7.513 444 1HG GLU 52 1HG GLU 52 4.232 -7.088 6.555 445 2HG GLU 52 2HG GLU 52 2.975 -6.671 7.715 446 H GLY 53 H GLY 53 2.968 -10.322 3.940 447 1HA GLY 53 1HA GLY 53 2.385 -12.418 2.985 448 2HA GLY 53 2HA GLY 53 1.655 -12.886 4.509 449 H GLY 54 H GLY 54 0.451 -9.917 4.253 450 1HA GLY 54 1HA GLY 54 -1.277 -9.809 2.114 451 2HA GLY 54 2HA GLY 54 -2.073 -10.861 3.272 452 H TYR 55 H TYR 55 -2.530 -8.049 2.166 453 HA TYR 55 HA TYR 55 -2.422 -6.099 4.120 454 1HB TYR 55 1HB TYR 55 -3.203 -5.415 2.010 455 2HB TYR 55 2HB TYR 55 -4.384 -6.713 1.918 456 HD1 TYR 55 HD2 TYR 55 -3.644 -3.534 3.718 457 HD2 TYR 55 HD1 TYR 55 -6.630 -6.303 2.484 458 HE1 TYR 55 HE2 TYR 55 -5.390 -1.981 4.475 459 HE2 TYR 55 HE1 TYR 55 -8.384 -4.753 3.232 460 HH TYR 55 HH TYR 55 -8.675 -2.896 4.769 461 H GLU 56 H GLU 56 -4.856 -8.601 3.652 462 HA GLU 56 HA GLU 56 -6.732 -7.739 5.530 463 1HB GLU 56 1HB GLU 56 -6.142 -10.576 4.666 464 2HB GLU 56 2HB GLU 56 -7.661 -9.976 5.333 465 1HG GLU 56 1HG GLU 56 -8.149 -8.731 3.423 466 2HG GLU 56 2HG GLU 56 -6.492 -8.815 2.832 467 H ALA 57 H ALA 57 -3.939 -9.876 5.900 468 HA ALA 57 HA ALA 57 -4.469 -10.697 8.546 469 1HB ALA 57 1HB ALA 57 -2.097 -11.322 8.632 470 2HB ALA 57 2HB ALA 57 -1.798 -10.410 7.153 471 3HB ALA 57 3HB ALA 57 -2.835 -11.837 7.115 472 H ILE 58 H ILE 58 -2.390 -8.118 7.265 473 HA ILE 58 HA ILE 58 -1.616 -7.039 9.757 474 HB ILE 58 HB ILE 58 -1.920 -5.391 7.246 475 1HG1 ILE 58 1HG1 ILE 58 0.415 -7.213 7.892 476 2HG1 ILE 58 2HG1 ILE 58 -0.817 -7.565 6.682 477 1HG2 ILE 58 1HG2 ILE 58 0.095 -5.321 9.493 478 2HG2 ILE 58 2HG2 ILE 58 -1.259 -4.212 9.280 479 3HG2 ILE 58 3HG2 ILE 58 0.057 -4.231 8.107 480 1HD1 ILE 58 1HD1 ILE 58 1.189 -6.689 5.653 481 2HD1 ILE 58 2HD1 ILE 58 1.089 -5.234 6.645 482 3HD1 ILE 58 3HD1 ILE 58 -0.154 -5.567 5.437 483 H CYS 59 H CYS 59 -4.376 -6.569 7.695 484 HA CYS 59 HA CYS 59 -5.345 -4.176 8.871 485 1HB CYS 59 1HB CYS 59 -5.895 -4.922 6.551 486 2HB CYS 59 2HB CYS 59 -6.853 -6.238 7.220 487 HG CYS 59 HG CYS 59 -8.957 -4.844 7.931 488 H LYS 60 H LYS 60 -6.073 -7.610 9.322 489 HA LYS 60 HA LYS 60 -8.176 -7.052 11.216 490 1HB LYS 60 1HB LYS 60 -8.217 -9.014 9.678 491 2HB LYS 60 2HB LYS 60 -6.844 -9.686 10.540 492 1HG LYS 60 1HG LYS 60 -8.576 -10.836 11.499 493 2HG LYS 60 2HG LYS 60 -8.406 -9.496 12.626 494 1HD LYS 60 1HD LYS 60 -10.409 -9.562 10.358 495 2HD LYS 60 2HD LYS 60 -10.771 -10.073 12.003 496 1HE LYS 60 1HE LYS 60 -11.529 -7.927 12.131 497 2HE LYS 60 2HE LYS 60 -9.844 -7.631 12.553 498 1HZ LYS 60 1HZ LYS 60 -10.570 -6.051 10.916 499 2HZ LYS 60 2HZ LYS 60 -11.088 -7.274 9.877 500 3HZ LYS 60 3HZ LYS 60 -9.443 -7.082 10.191 501 H ASP 61 H ASP 61 -4.767 -7.558 11.319 502 HA ASP 61 HA ASP 61 -4.832 -7.983 14.229 503 1HB ASP 61 1HB ASP 61 -2.779 -8.511 12.108 504 2HB ASP 61 2HB ASP 61 -2.263 -8.299 13.778 505 H ARG 62 H ARG 62 -4.620 -5.426 12.108 506 HA ARG 62 HA ARG 62 -4.147 -3.216 12.396 507 1HB ARG 62 1HB ARG 62 -4.034 -4.075 15.290 508 2HB ARG 62 2HB ARG 62 -3.869 -2.400 14.785 509 1HG ARG 62 1HG ARG 62 -6.113 -2.423 13.865 510 2HG ARG 62 2HG ARG 62 -6.278 -4.138 14.255 511 1HD ARG 62 1HD ARG 62 -6.143 -3.675 16.613 512 2HD ARG 62 2HD ARG 62 -5.760 -1.982 16.307 513 HE ARG 62 HE ARG 62 -8.116 -2.070 15.177 514 1HH1 ARG 62 1HH1 ARG 62 -7.135 -3.632 18.156 515 2HH1 ARG 62 2HH1 ARG 62 -8.714 -3.537 18.874 516 1HH2 ARG 62 1HH2 ARG 62 -10.178 -1.915 16.132 517 2HH2 ARG 62 2HH2 ARG 62 -10.444 -2.536 17.725 518 H ARG 63 H ARG 63 -1.930 -5.150 11.927 519 HA ARG 63 HA ARG 63 0.297 -4.322 13.549 520 1HB ARG 63 1HB ARG 63 0.368 -5.835 10.928 521 2HB ARG 63 2HB ARG 63 1.654 -5.742 12.122 522 1HG ARG 63 1HG ARG 63 -1.026 -7.077 12.476 523 2HG ARG 63 2HG ARG 63 0.527 -7.880 12.252 524 1HD ARG 63 1HD ARG 63 1.319 -7.027 14.377 525 2HD ARG 63 2HD ARG 63 -0.154 -6.077 14.581 526 HE ARG 63 HE ARG 63 -0.433 -8.978 14.333 527 1HH1 ARG 63 1HH1 ARG 63 -0.357 -6.184 16.441 528 2HH1 ARG 63 2HH1 ARG 63 -1.255 -6.951 17.709 529 1HH2 ARG 63 1HH2 ARG 63 -1.633 -9.992 15.986 530 2HH2 ARG 63 2HH2 ARG 63 -1.985 -9.125 17.448 531 H TRP 64 H TRP 64 -1.313 -2.609 11.321 532 HA TRP 64 HA TRP 64 0.637 -1.518 9.634 533 1HB TRP 64 1HB TRP 64 -1.803 -0.147 10.801 534 2HB TRP 64 2HB TRP 64 -0.867 0.431 9.427 535 HD1 TRP 64 HD1 TRP 64 -3.945 -1.340 10.099 536 HE1 TRP 64 HE1 TRP 64 -4.717 -2.719 8.070 537 HE3 TRP 64 HE3 TRP 64 0.397 -1.319 7.370 538 HZ2 TRP 64 HZ2 TRP 64 -3.645 -3.664 5.657 539 HZ3 TRP 64 HZ3 TRP 64 0.426 -2.485 5.207 540 HH2 TRP 64 HH2 TRP 64 -1.555 -3.637 4.368 541 H ALA 65 H ALA 65 0.193 -1.218 13.001 542 HA ALA 65 HA ALA 65 1.332 1.271 13.558 543 1HB ALA 65 1HB ALA 65 0.240 -0.115 15.257 544 2HB ALA 65 2HB ALA 65 1.866 0.345 15.763 545 3HB ALA 65 3HB ALA 65 1.557 -1.284 15.159 546 H ARG 66 H ARG 66 2.922 -1.936 13.377 547 HA ARG 66 HA ARG 66 5.547 -0.882 13.659 548 1HB ARG 66 1HB ARG 66 6.357 -3.079 13.098 549 2HB ARG 66 2HB ARG 66 4.958 -3.255 14.144 550 1HG ARG 66 1HG ARG 66 3.567 -3.843 12.254 551 2HG ARG 66 2HG ARG 66 4.906 -3.550 11.143 552 1HD ARG 66 1HD ARG 66 4.752 -5.691 13.269 553 2HD ARG 66 2HD ARG 66 4.666 -5.930 11.524 554 HE ARG 66 HE ARG 66 7.074 -4.943 12.930 555 1HH1 ARG 66 1HH1 ARG 66 5.556 -6.882 10.434 556 2HH1 ARG 66 2HH1 ARG 66 7.061 -7.463 9.802 557 1HH2 ARG 66 1HH2 ARG 66 9.056 -5.715 12.096 558 2HH2 ARG 66 2HH2 ARG 66 9.054 -6.782 10.725 559 H VAL 67 H VAL 67 3.448 -1.429 10.931 560 HA VAL 67 HA VAL 67 5.344 -1.257 8.857 561 HB VAL 67 HB VAL 67 2.438 -0.387 8.806 562 1HG1 VAL 67 1HG1 VAL 67 2.587 -0.733 6.375 563 2HG1 VAL 67 2HG1 VAL 67 4.311 -1.067 6.531 564 3HG1 VAL 67 3HG1 VAL 67 3.685 0.536 6.921 565 1HG2 VAL 67 1HG2 VAL 67 3.703 -3.043 8.107 566 2HG2 VAL 67 2HG2 VAL 67 2.009 -2.621 7.858 567 3HG2 VAL 67 3HG2 VAL 67 2.663 -2.713 9.493 568 H ALA 68 H ALA 68 3.205 1.276 10.197 569 HA ALA 68 HA ALA 68 4.381 3.421 8.800 570 1HB ALA 68 1HB ALA 68 2.936 3.524 11.455 571 2HB ALA 68 2HB ALA 68 2.161 3.542 9.870 572 3HB ALA 68 3HB ALA 68 3.210 4.875 10.352 573 H GLN 69 H GLN 69 5.156 1.859 11.851 574 HA GLN 69 HA GLN 69 7.079 3.678 12.797 575 1HB GLN 69 1HB GLN 69 6.147 1.867 14.173 576 2HB GLN 69 2HB GLN 69 6.920 0.667 13.150 577 1HG GLN 69 1HG GLN 69 8.534 2.720 14.634 578 2HG GLN 69 2HG GLN 69 7.992 1.239 15.416 579 1HE2 GLN 69 2HE2 GLN 69 10.705 2.195 14.783 580 2HE2 GLN 69 1HE2 GLN 69 11.429 0.945 13.831 581 H ARG 70 H ARG 70 7.329 0.934 10.565 582 HA ARG 70 HA ARG 70 10.134 1.098 10.174 583 1HB ARG 70 1HB ARG 70 8.663 -0.882 9.611 584 2HB ARG 70 2HB ARG 70 8.080 0.019 8.219 585 1HG ARG 70 1HG ARG 70 11.010 -0.546 8.613 586 2HG ARG 70 2HG ARG 70 9.934 -1.719 7.855 587 1HD ARG 70 1HD ARG 70 9.456 -0.246 6.052 588 2HD ARG 70 2HD ARG 70 10.195 1.122 6.878 589 HE ARG 70 HE ARG 70 11.972 -1.099 6.305 590 1HH1 ARG 70 1HH1 ARG 70 10.707 1.989 5.240 591 2HH1 ARG 70 2HH1 ARG 70 12.055 2.334 4.207 592 1HH2 ARG 70 1HH2 ARG 70 13.743 -0.659 4.939 593 2HH2 ARG 70 2HH2 ARG 70 13.791 0.830 4.044 594 H LEU 71 H LEU 71 7.359 2.556 8.591 595 HA LEU 71 HA LEU 71 8.891 3.957 6.612 596 1HB LEU 71 1HB LEU 71 6.029 4.014 7.504 597 2HB LEU 71 2HB LEU 71 6.640 5.312 6.496 598 HG LEU 71 HG LEU 71 7.249 3.683 4.751 599 1HD1 LEU 71 1HD1 LEU 71 6.488 1.369 4.884 600 2HD1 LEU 71 2HD1 LEU 71 5.950 1.634 6.544 601 3HD1 LEU 71 3HD1 LEU 71 7.666 1.731 6.145 602 1HD2 LEU 71 1HD2 LEU 71 4.374 3.483 5.652 603 2HD2 LEU 71 2HD2 LEU 71 4.979 3.125 4.034 604 3HD2 LEU 71 3HD2 LEU 71 5.071 4.768 4.664 605 H ASN 72 H ASN 72 9.167 4.273 9.712 606 HA ASN 72 HA ASN 72 9.884 5.796 11.173 607 1HB ASN 72 1HB ASN 72 11.320 7.620 10.363 608 2HB ASN 72 2HB ASN 72 11.706 6.086 9.603 609 1HD2 ASN 72 2HD2 ASN 72 11.552 5.892 7.417 610 2HD2 ASN 72 1HD2 ASN 72 11.132 7.194 6.364 611 H TYR 73 H TYR 73 7.114 6.056 10.226 612 HA TYR 73 HA TYR 73 6.572 8.848 10.921 613 1HB TYR 73 1HB TYR 73 4.631 6.541 10.566 614 2HB TYR 73 2HB TYR 73 4.203 8.236 10.740 615 HD1 TYR 73 HD2 TYR 73 5.929 9.615 8.849 616 HD2 TYR 73 HD1 TYR 73 3.999 5.837 8.484 617 HE1 TYR 73 HE2 TYR 73 5.916 9.858 6.399 618 HE2 TYR 73 HE1 TYR 73 3.978 6.070 6.047 619 HH TYR 73 HH TYR 73 5.784 8.401 4.391 620 HA PRO 74 HA PRO 74 5.885 7.711 15.273 621 1HB PRO 74 1HB PRO 74 4.091 9.642 15.968 622 2HB PRO 74 2HB PRO 74 5.822 9.965 15.806 623 1HG PRO 74 1HG PRO 74 3.603 10.500 13.861 624 2HG PRO 74 2HG PRO 74 4.979 11.530 14.301 625 1HD PRO 74 1HD PRO 74 4.927 10.042 12.027 626 2HD PRO 74 2HD PRO 74 6.431 10.407 12.899 627 HA PRO 75 HA PRO 75 2.580 5.065 13.701 628 1HB PRO 75 1HB PRO 75 2.439 3.475 16.002 629 2HB PRO 75 2HB PRO 75 3.472 3.185 14.601 630 1HG PRO 75 1HG PRO 75 4.136 4.480 17.211 631 2HG PRO 75 2HG PRO 75 5.125 3.403 16.207 632 1HD PRO 75 1HD PRO 75 5.567 6.044 16.259 633 2HD PRO 75 2HD PRO 75 5.739 5.115 14.754 634 H GLY 76 H GLY 76 2.091 5.146 17.223 635 1HA GLY 76 1HA GLY 76 0.286 5.761 18.493 636 2HA GLY 76 2HA GLY 76 0.063 7.063 17.338 637 H LYS 77 H LYS 77 -0.081 4.129 15.750 638 HA LYS 77 HA LYS 77 -1.707 2.976 14.694 639 1HB LYS 77 1HB LYS 77 -2.467 2.493 17.028 640 2HB LYS 77 2HB LYS 77 -3.539 3.883 16.929 641 1HG LYS 77 1HG LYS 77 -4.764 2.819 15.101 642 2HG LYS 77 2HG LYS 77 -3.671 1.437 15.165 643 1HD LYS 77 1HD LYS 77 -5.614 0.781 16.347 644 2HD LYS 77 2HD LYS 77 -4.400 1.131 17.575 645 1HE LYS 77 1HE LYS 77 -6.583 3.032 16.703 646 2HE LYS 77 2HE LYS 77 -6.652 2.009 18.134 647 1HZ LYS 77 1HZ LYS 77 -4.625 3.183 18.925 648 2HZ LYS 77 2HZ LYS 77 -5.988 4.170 18.795 649 3HZ LYS 77 3HZ LYS 77 -4.780 4.250 17.621 650 H ASN 78 H ASN 78 -1.633 6.232 14.964 651 HA ASN 78 HA ASN 78 -4.173 6.982 13.873 652 1HB ASN 78 1HB ASN 78 -1.567 8.516 14.093 653 2HB ASN 78 2HB ASN 78 -3.093 9.220 13.569 654 1HD2 ASN 78 2HD2 ASN 78 -1.367 9.832 15.864 655 2HD2 ASN 78 1HD2 ASN 78 -2.382 9.699 17.258 656 H ILE 79 H ILE 79 -0.863 7.028 12.536 657 HA ILE 79 HA ILE 79 -1.708 7.544 9.877 658 HB ILE 79 HB ILE 79 0.925 6.382 10.852 659 1HG1 ILE 79 1HG1 ILE 79 1.769 8.719 10.306 660 2HG1 ILE 79 2HG1 ILE 79 0.089 9.214 10.144 661 1HG2 ILE 79 1HG2 ILE 79 1.829 6.980 8.657 662 2HG2 ILE 79 2HG2 ILE 79 0.229 7.513 8.134 663 3HG2 ILE 79 3HG2 ILE 79 0.518 5.809 8.505 664 1HD1 ILE 79 1HD1 ILE 79 -0.303 8.665 12.481 665 2HD1 ILE 79 2HD1 ILE 79 1.017 9.821 12.306 666 3HD1 ILE 79 3HD1 ILE 79 1.370 8.126 12.642 667 H GLY 80 H GLY 80 -1.347 4.674 11.789 668 1HA GLY 80 1HA GLY 80 -1.366 2.720 9.764 669 2HA GLY 80 2HA GLY 80 -1.953 2.493 11.407 670 H SER 81 H SER 81 -4.043 4.257 11.534 671 HA SER 81 HA SER 81 -6.121 2.929 10.156 672 1HB SER 81 1HB SER 81 -6.157 5.632 11.537 673 2HB SER 81 2HB SER 81 -7.578 4.688 11.091 674 HG SER 81 HG SER 81 -6.002 4.474 13.277 675 H LEU 82 H LEU 82 -4.515 6.038 9.665 676 HA LEU 82 HA LEU 82 -5.878 7.054 7.481 677 1HB LEU 82 1HB LEU 82 -4.059 8.158 8.800 678 2HB LEU 82 2HB LEU 82 -2.889 7.123 8.018 679 HG LEU 82 HG LEU 82 -3.017 9.504 7.193 680 1HD1 LEU 82 1HD1 LEU 82 -2.777 8.920 4.821 681 2HD1 LEU 82 2HD1 LEU 82 -3.418 7.312 5.162 682 3HD1 LEU 82 3HD1 LEU 82 -1.892 7.824 5.879 683 1HD2 LEU 82 1HD2 LEU 82 -4.796 10.052 5.589 684 2HD2 LEU 82 2HD2 LEU 82 -5.411 9.808 7.223 685 3HD2 LEU 82 3HD2 LEU 82 -5.620 8.547 6.007 686 H LEU 83 H LEU 83 -3.101 4.883 7.534 687 HA LEU 83 HA LEU 83 -2.775 4.471 4.798 688 1HB LEU 83 1HB LEU 83 -1.064 3.874 6.371 689 2HB LEU 83 2HB LEU 83 -2.130 2.755 7.194 690 HG LEU 83 HG LEU 83 -2.073 1.241 5.274 691 1HD1 LEU 83 1HD1 LEU 83 -0.572 1.640 3.390 692 2HD1 LEU 83 2HD1 LEU 83 -0.184 3.239 4.026 693 3HD1 LEU 83 3HD1 LEU 83 -1.824 2.879 3.481 694 1HD2 LEU 83 1HD2 LEU 83 0.684 2.105 6.159 695 2HD2 LEU 83 2HD2 LEU 83 0.258 0.541 5.463 696 3HD2 LEU 83 3HD2 LEU 83 -0.389 1.012 7.033 697 H ARG 84 H ARG 84 -4.520 2.459 7.184 698 HA ARG 84 HA ARG 84 -5.402 0.484 5.427 699 1HB ARG 84 1HB ARG 84 -5.595 0.227 7.848 700 2HB ARG 84 2HB ARG 84 -6.768 1.540 7.917 701 1HG ARG 84 1HG ARG 84 -8.277 0.171 6.463 702 2HG ARG 84 2HG ARG 84 -7.130 -1.159 6.615 703 1HD ARG 84 1HD ARG 84 -7.466 -1.198 9.027 704 2HD ARG 84 2HD ARG 84 -8.554 0.188 8.918 705 HE ARG 84 HE ARG 84 -9.225 -2.254 7.431 706 1HH1 ARG 84 1HH1 ARG 84 -9.921 -0.097 10.107 707 2HH1 ARG 84 2HH1 ARG 84 -11.505 -0.750 10.379 708 1HH2 ARG 84 1HH2 ARG 84 -11.304 -3.103 7.790 709 2HH2 ARG 84 2HH2 ARG 84 -12.286 -2.468 9.076 710 H SER 85 H SER 85 -7.090 3.450 6.460 711 HA SER 85 HA SER 85 -9.465 3.006 5.075 712 1HB SER 85 1HB SER 85 -8.164 5.637 5.824 713 2HB SER 85 2HB SER 85 -9.849 5.442 5.333 714 HG SER 85 HG SER 85 -9.975 3.899 7.142 715 H HIS 86 H HIS 86 -6.520 4.754 4.008 716 HA HIS 86 HA HIS 86 -7.694 5.379 1.454 717 1HB HIS 86 1HB HIS 86 -4.853 5.564 2.467 718 2HB HIS 86 2HB HIS 86 -5.299 5.976 0.813 719 HD1 HIS 86 HD1 HIS 86 -7.330 7.875 0.714 720 HD2 HIS 86 HD2 HIS 86 -4.996 7.672 4.144 721 HE1 HIS 86 HE1 HIS 86 -7.654 10.078 1.880 722 HE2 HIS 86 HE2 HIS 86 -6.120 9.989 3.874 723 H TYR 87 H TYR 87 -5.840 2.712 2.722 724 HA TYR 87 HA TYR 87 -5.057 1.576 0.248 725 1HB TYR 87 1HB TYR 87 -4.150 0.927 2.518 726 2HB TYR 87 2HB TYR 87 -5.666 0.089 2.826 727 HD1 TYR 87 HD2 TYR 87 -6.334 -1.696 0.951 728 HD2 TYR 87 HD1 TYR 87 -2.369 -0.301 1.669 729 HE1 TYR 87 HE2 TYR 87 -5.434 -3.710 -0.121 730 HE2 TYR 87 HE1 TYR 87 -1.464 -2.318 0.592 731 HH TYR 87 HH TYR 87 -2.257 -4.695 0.129 732 H GLU 88 H GLU 88 -7.794 0.938 2.403 733 HA GLU 88 HA GLU 88 -9.009 -1.121 1.005 734 1HB GLU 88 1HB GLU 88 -9.537 -0.416 3.324 735 2HB GLU 88 2HB GLU 88 -10.345 1.011 2.692 736 1HG GLU 88 1HG GLU 88 -12.002 -0.395 1.588 737 2HG GLU 88 2HG GLU 88 -11.173 -1.842 2.163 738 H ARG 89 H ARG 89 -9.040 2.296 0.344 739 HA ARG 89 HA ARG 89 -11.266 2.016 -1.545 740 1HB ARG 89 1HB ARG 89 -9.742 4.510 -0.753 741 2HB ARG 89 2HB ARG 89 -11.224 4.446 -1.698 742 1HG ARG 89 1HG ARG 89 -10.899 3.700 1.205 743 2HG ARG 89 2HG ARG 89 -11.731 5.114 0.557 744 1HD ARG 89 1HD ARG 89 -13.353 3.611 -0.554 745 2HD ARG 89 2HD ARG 89 -12.542 2.227 0.182 746 HE ARG 89 HE ARG 89 -13.604 4.332 1.923 747 1HH1 ARG 89 1HH1 ARG 89 -13.815 1.045 0.724 748 2HH1 ARG 89 2HH1 ARG 89 -14.870 0.527 1.997 749 1HH2 ARG 89 1HH2 ARG 89 -15.002 3.644 3.577 750 2HH2 ARG 89 2HH2 ARG 89 -15.550 1.998 3.610 751 H ILE 90 H ILE 90 -7.823 2.837 -1.485 752 HA ILE 90 HA ILE 90 -7.848 3.241 -4.397 753 HB ILE 90 HB ILE 90 -5.865 4.085 -2.276 754 1HG1 ILE 90 1HG1 ILE 90 -7.927 5.443 -2.472 755 2HG1 ILE 90 2HG1 ILE 90 -6.489 6.352 -2.919 756 1HG2 ILE 90 1HG2 ILE 90 -5.633 4.424 -5.271 757 2HG2 ILE 90 2HG2 ILE 90 -4.597 3.436 -4.241 758 3HG2 ILE 90 3HG2 ILE 90 -4.591 5.191 -4.072 759 1HD1 ILE 90 1HD1 ILE 90 -7.023 6.018 -5.288 760 2HD1 ILE 90 2HD1 ILE 90 -8.326 6.833 -4.422 761 3HD1 ILE 90 3HD1 ILE 90 -8.473 5.124 -4.825 762 H VAL 91 H VAL 91 -5.843 1.635 -1.899 763 HA VAL 91 HA VAL 91 -4.241 0.442 -4.022 764 HB VAL 91 HB VAL 91 -3.799 0.185 -1.041 765 1HG1 VAL 91 1HG1 VAL 91 -1.904 -0.086 -3.380 766 2HG1 VAL 91 2HG1 VAL 91 -2.539 -1.404 -2.395 767 3HG1 VAL 91 3HG1 VAL 91 -1.461 -0.208 -1.677 768 1HG2 VAL 91 1HG2 VAL 91 -2.248 2.085 -1.230 769 2HG2 VAL 91 2HG2 VAL 91 -3.907 2.555 -1.598 770 3HG2 VAL 91 3HG2 VAL 91 -2.747 2.321 -2.906 771 H TYR 92 H TYR 92 -6.974 -0.466 -2.319 772 HA TYR 92 HA TYR 92 -6.405 -3.115 -1.602 773 1HB TYR 92 1HB TYR 92 -8.507 -1.576 -1.116 774 2HB TYR 92 2HB TYR 92 -9.169 -2.412 -2.515 775 HD1 TYR 92 HD2 TYR 92 -7.146 -4.854 -1.301 776 HD2 TYR 92 HD1 TYR 92 -10.638 -2.719 -0.115 777 HE1 TYR 92 HE2 TYR 92 -7.796 -6.727 0.148 778 HE2 TYR 92 HE1 TYR 92 -11.292 -4.589 1.337 779 HH TYR 92 HH TYR 92 -9.175 -7.216 2.037 780 HA PRO 93 HA PRO 93 -8.007 -4.262 -6.183 781 1HB PRO 93 1HB PRO 93 -6.804 -1.807 -7.415 782 2HB PRO 93 2HB PRO 93 -8.206 -2.754 -7.932 783 1HG PRO 93 1HG PRO 93 -8.552 -0.423 -6.708 784 2HG PRO 93 2HG PRO 93 -9.606 -1.802 -6.331 785 1HD PRO 93 1HD PRO 93 -7.332 -0.662 -4.750 786 2HD PRO 93 2HD PRO 93 -8.873 -1.336 -4.184 787 H TYR 94 H TYR 94 -5.121 -2.460 -5.248 788 HA TYR 94 HA TYR 94 -3.333 -3.816 -7.000 789 1HB TYR 94 1HB TYR 94 -3.064 -1.900 -4.758 790 2HB TYR 94 2HB TYR 94 -1.684 -2.959 -5.011 791 HD1 TYR 94 HD1 TYR 94 -0.382 -2.846 -7.063 792 HD2 TYR 94 HD2 TYR 94 -3.652 -0.197 -6.411 793 HE1 TYR 94 HE1 TYR 94 0.419 -1.415 -8.889 794 HE2 TYR 94 HE2 TYR 94 -2.852 1.243 -8.232 795 HH TYR 94 HH TYR 94 -0.732 1.721 -9.424 796 H GLU 95 H GLU 95 -4.576 -4.500 -3.784 797 HA GLU 95 HA GLU 95 -2.802 -6.617 -3.168 798 1HB GLU 95 1HB GLU 95 -4.305 -5.638 -1.475 799 2HB GLU 95 2HB GLU 95 -5.701 -6.257 -2.345 800 1HG GLU 95 1HG GLU 95 -5.206 -7.646 -0.421 801 2HG GLU 95 2HG GLU 95 -4.971 -8.551 -1.912 802 H MET 96 H MET 96 -5.958 -6.534 -4.807 803 HA MET 96 HA MET 96 -6.186 -9.229 -5.478 804 1HB MET 96 1HB MET 96 -7.140 -6.703 -6.800 805 2HB MET 96 2HB MET 96 -7.365 -8.244 -7.613 806 1HG MET 96 1HG MET 96 -8.393 -7.577 -4.860 807 2HG MET 96 2HG MET 96 -9.344 -7.532 -6.346 808 1HE MET 96 1HE MET 96 -10.465 -9.186 -3.986 809 2HE MET 96 2HE MET 96 -10.865 -10.717 -4.761 810 3HE MET 96 3HE MET 96 -11.190 -9.197 -5.594 811 H TYR 97 H TYR 97 -4.468 -6.623 -7.126 812 HA TYR 97 HA TYR 97 -3.621 -8.155 -9.358 813 1HB TYR 97 1HB TYR 97 -3.725 -5.715 -9.406 814 2HB TYR 97 2HB TYR 97 -2.487 -5.613 -8.161 815 HD1 TYR 97 HD2 TYR 97 -2.852 -7.369 -11.463 816 HD2 TYR 97 HD1 TYR 97 -0.440 -4.909 -8.960 817 HE1 TYR 97 HE2 TYR 97 -1.123 -7.294 -13.210 818 HE2 TYR 97 HE1 TYR 97 1.294 -4.830 -10.700 819 HH TYR 97 HH TYR 97 0.752 -5.827 -13.888 820 H GLN 98 H GLN 98 -1.941 -7.221 -6.361 821 HA GLN 98 HA GLN 98 0.512 -8.455 -7.116 822 1HB GLN 98 1HB GLN 98 0.307 -6.487 -5.577 823 2HB GLN 98 2HB GLN 98 -0.352 -7.563 -4.355 824 1HG GLN 98 1HG GLN 98 1.694 -8.724 -4.127 825 2HG GLN 98 2HG GLN 98 2.350 -8.008 -5.598 826 1HE2 GLN 98 2HE2 GLN 98 4.162 -7.192 -4.557 827 2HE2 GLN 98 1HE2 GLN 98 4.084 -5.855 -3.464 828 H SER 99 H SER 99 -1.992 -9.313 -4.698 829 HA SER 99 HA SER 99 -0.950 -11.831 -4.036 830 1HB SER 99 1HB SER 99 -2.735 -10.802 -2.709 831 2HB SER 99 2HB SER 99 -3.844 -10.902 -4.075 832 HG SER 99 HG SER 99 -2.606 -13.202 -2.982 833 H GLY 100 H GLY 100 -3.189 -10.812 -6.598 834 1HA GLY 100 1HA GLY 100 -3.758 -13.361 -7.643 835 2HA GLY 100 2HA GLY 100 -3.838 -11.850 -8.540 836 H ALA 101 H ALA 101 -1.038 -11.200 -8.127 837 HA ALA 101 HA ALA 101 0.084 -12.650 -10.316 838 1HB ALA 101 1HB ALA 101 1.401 -10.680 -8.443 839 2HB ALA 101 2HB ALA 101 0.574 -10.279 -9.948 840 3HB ALA 101 3HB ALA 101 2.050 -11.242 -9.984 841 H ASN 102 H ASN 102 0.653 -12.618 -6.816 842 HA ASN 102 HA ASN 102 2.844 -14.525 -7.068 843 1HB ASN 102 1HB ASN 102 2.924 -12.578 -5.478 844 2HB ASN 102 2HB ASN 102 1.646 -13.347 -4.545 845 1HD2 ASN 102 2HD2 ASN 102 4.337 -12.645 -3.738 846 2HD2 ASN 102 1HD2 ASN 102 5.096 -14.109 -3.223 847 H LEU 103 H LEU 103 -0.124 -14.416 -5.069 848 HA LEU 103 HA LEU 103 -0.987 -17.002 -5.866 849 1HB LEU 103 1HB LEU 103 -0.695 -18.268 -3.878 850 2HB LEU 103 2HB LEU 103 0.876 -17.615 -4.287 851 HG LEU 103 HG LEU 103 -0.945 -16.528 -2.122 852 1HD1 LEU 103 1HD1 LEU 103 0.667 -17.495 -0.554 853 2HD1 LEU 103 2HD1 LEU 103 1.548 -18.215 -1.902 854 3HD1 LEU 103 3HD1 LEU 103 -0.100 -18.735 -1.546 855 1HD2 LEU 103 1HD2 LEU 103 1.914 -15.828 -2.803 856 2HD2 LEU 103 2HD2 LEU 103 0.994 -15.213 -1.430 857 3HD2 LEU 103 3HD2 LEU 103 0.504 -14.803 -3.073 858 H VAL 104 H VAL 104 -3.149 -16.985 -5.706 859 HA VAL 104 HA VAL 104 -4.327 -14.678 -4.373 860 HB VAL 104 HB VAL 104 -4.991 -14.979 -6.662 861 1HG1 VAL 104 1HG1 VAL 104 -6.038 -17.707 -5.883 862 2HG1 VAL 104 2HG1 VAL 104 -4.622 -17.384 -6.884 863 3HG1 VAL 104 3HG1 VAL 104 -6.227 -16.934 -7.459 864 1HG2 VAL 104 1HG2 VAL 104 -7.429 -15.002 -6.426 865 2HG2 VAL 104 2HG2 VAL 104 -6.669 -14.077 -5.130 866 3HG2 VAL 104 3HG2 VAL 104 -7.273 -15.704 -4.815 867 H CYS 105 H CYS 105 -4.691 -14.990 -2.286 868 HA CYS 105 HA CYS 105 -6.506 -17.193 -1.539 869 1HB CYS 105 1HB CYS 105 -5.390 -17.255 0.682 870 2HB CYS 105 2HB CYS 105 -4.307 -17.709 -0.629 871 HG CYS 105 HG CYS 105 -4.296 -14.835 1.209 872 H ASN 106 H ASN 106 -6.233 -14.001 -2.006 873 HA ASN 106 HA ASN 106 -7.397 -13.018 0.466 874 1HB ASN 106 1HB ASN 106 -7.143 -10.811 -0.536 875 2HB ASN 106 2HB ASN 106 -5.653 -11.727 -0.736 876 1HD2 ASN 106 2HD2 ASN 106 -6.589 -9.456 -2.247 877 2HD2 ASN 106 1HD2 ASN 106 -6.691 -9.966 -3.893 878 H THR 107 H THR 107 -8.496 -14.121 -2.574 879 HA THR 107 HA THR 107 -10.561 -12.448 -3.245 880 HB THR 107 HB THR 107 -9.801 -14.237 -4.709 881 HG1 THR 107 HG1 THR 107 -12.270 -13.476 -4.396 882 1HG2 THR 107 1HG2 THR 107 -10.518 -16.561 -4.355 883 2HG2 THR 107 2HG2 THR 107 -11.209 -16.108 -2.797 884 3HG2 THR 107 3HG2 THR 107 -9.467 -16.004 -3.053 885 H ARG 108 H ARG 108 -10.566 -14.754 -0.608 886 HA ARG 108 HA ARG 108 -13.485 -14.530 -0.404 887 1HB ARG 108 1HB ARG 108 -11.597 -16.520 0.878 888 2HB ARG 108 2HB ARG 108 -13.333 -16.466 1.169 889 1HG ARG 108 1HG ARG 108 -13.764 -16.897 -1.190 890 2HG ARG 108 2HG ARG 108 -12.033 -16.900 -1.520 891 1HD ARG 108 1HD ARG 108 -11.758 -18.865 -0.084 892 2HD ARG 108 2HD ARG 108 -13.489 -18.851 0.273 893 HE ARG 108 HE ARG 108 -13.282 -18.927 -2.477 894 1HH1 ARG 108 1HH1 ARG 108 -12.328 -20.997 0.193 895 2HH1 ARG 108 2HH1 ARG 108 -12.399 -22.448 -0.759 896 1HH2 ARG 108 1HH2 ARG 108 -13.368 -20.838 -3.709 897 2HH2 ARG 108 2HH2 ARG 108 -12.996 -22.360 -2.961 898 HA PRO 109 HA PRO 109 -11.994 -13.193 4.060 899 1HB PRO 109 1HB PRO 109 -9.233 -12.278 3.418 900 2HB PRO 109 2HB PRO 109 -9.839 -13.105 4.857 901 1HG PRO 109 1HG PRO 109 -8.358 -14.410 3.065 902 2HG PRO 109 2HG PRO 109 -9.733 -15.204 3.861 903 1HD PRO 109 1HD PRO 109 -9.553 -14.040 1.100 904 2HD PRO 109 2HD PRO 109 -10.323 -15.547 1.639 905 H PHE 110 H PHE 110 -10.894 -11.784 1.061 906 HA PHE 110 HA PHE 110 -10.775 -9.102 1.457 907 1HB PHE 110 1HB PHE 110 -10.539 -10.355 -0.723 908 2HB PHE 110 2HB PHE 110 -12.291 -10.407 -0.825 909 HD1 PHE 110 HD1 PHE 110 -13.456 -8.010 -0.649 910 HD2 PHE 110 HD2 PHE 110 -9.429 -8.700 -1.851 911 HE1 PHE 110 HE1 PHE 110 -13.442 -5.854 -1.836 912 HE2 PHE 110 HE2 PHE 110 -9.412 -6.545 -3.037 913 HZ PHE 110 HZ PHE 110 -11.420 -5.119 -3.032 914 H ASP 111 H ASP 111 -13.790 -10.754 0.523 915 HA ASP 111 HA ASP 111 -15.435 -8.512 0.899 916 1HB ASP 111 1HB ASP 111 -16.094 -11.463 0.801 917 2HB ASP 111 2HB ASP 111 -17.320 -10.201 0.864 918 H ASN 112 H ASN 112 -14.351 -10.980 3.121 919 HA ASN 112 HA ASN 112 -16.319 -10.511 5.124 920 1HB ASN 112 1HB ASN 112 -15.044 -12.600 5.062 921 2HB ASN 112 2HB ASN 112 -13.551 -11.719 5.369 922 1HD2 ASN 112 2HD2 ASN 112 -16.644 -12.672 6.737 923 2HD2 ASN 112 1HD2 ASN 112 -16.175 -12.494 8.393 924 H GLU 113 H GLU 113 -13.041 -9.286 4.586 925 HA GLU 113 HA GLU 113 -13.003 -7.637 6.923 926 1HB GLU 113 1HB GLU 113 -10.949 -8.473 5.772 927 2HB GLU 113 2HB GLU 113 -11.319 -7.432 4.406 928 1HG GLU 113 1HG GLU 113 -9.635 -6.381 5.733 929 2HG GLU 113 2HG GLU 113 -11.131 -5.468 5.907 930 H GLU 114 H GLU 114 -13.868 -7.212 3.554 931 HA GLU 114 HA GLU 114 -14.333 -4.434 3.537 932 1HB GLU 114 1HB GLU 114 -14.189 -5.670 1.467 933 2HB GLU 114 2HB GLU 114 -15.533 -6.701 1.927 934 1HG GLU 114 1HG GLU 114 -16.259 -5.140 0.261 935 2HG GLU 114 2HG GLU 114 -17.042 -4.759 1.792 936 H LYS 115 H LYS 115 -16.349 -7.186 4.436 937 HA LYS 115 HA LYS 115 -18.745 -5.704 4.850 938 1HB LYS 115 1HB LYS 115 -17.845 -8.437 5.775 939 2HB LYS 115 2HB LYS 115 -19.413 -7.772 6.207 940 1HG LYS 115 1HG LYS 115 -18.460 -8.191 3.378 941 2HG LYS 115 2HG LYS 115 -19.467 -9.327 4.276 942 1HD LYS 115 1HD LYS 115 -21.202 -7.602 4.501 943 2HD LYS 115 2HD LYS 115 -20.192 -6.468 3.600 944 1HE LYS 115 1HE LYS 115 -21.926 -7.487 2.184 945 2HE LYS 115 2HE LYS 115 -20.303 -7.896 1.634 946 1HZ LYS 115 1HZ LYS 115 -22.025 -9.659 3.287 947 2HZ LYS 115 2HZ LYS 115 -20.506 -10.050 2.659 948 3HZ LYS 115 3HZ LYS 115 -21.810 -9.804 1.618 949 H ASP 116 H ASP 116 -16.379 -7.113 7.133 950 HA ASP 116 HA ASP 116 -15.991 -6.756 9.351 951 1HB ASP 116 1HB ASP 116 -15.220 -4.568 8.467 952 2HB ASP 116 2HB ASP 116 -16.846 -3.923 8.656 953 H LYS 117 H LYS 117 -18.615 -7.591 8.428 954 HA LYS 117 HA LYS 117 -20.260 -7.017 10.740 955 1HB LYS 117 1HB LYS 117 -20.739 -5.131 9.219 956 2HB LYS 117 2HB LYS 117 -21.133 -6.262 7.934 957 1HG LYS 117 1HG LYS 117 -23.010 -7.113 9.336 958 2HG LYS 117 2HG LYS 117 -22.653 -5.840 10.507 959 1HD LYS 117 1HD LYS 117 -23.463 -5.457 7.618 960 2HD LYS 117 2HD LYS 117 -24.459 -5.132 9.039 961 1HE LYS 117 1HE LYS 117 -22.971 -3.360 9.733 962 2HE LYS 117 2HE LYS 117 -21.843 -3.744 8.432 963 1HZ LYS 117 1HZ LYS 117 -23.231 -1.823 7.916 964 2HZ LYS 117 2HZ LYS 117 -24.623 -2.772 8.052 965 3HZ LYS 117 3HZ LYS 117 -23.501 -3.088 6.827 Start of MODEL 20 1 1H SER 1 1H SER 1 3.658 16.000 -4.079 2 2H SER 1 2H SER 1 3.444 14.743 -5.184 3 3H SER 1 3H SER 1 4.900 15.590 -5.149 4 HA SER 1 HA SER 1 5.364 14.782 -2.947 5 1HB SER 1 1HB SER 1 2.856 13.118 -3.315 6 2HB SER 1 2HB SER 1 3.918 13.125 -1.905 7 HG SER 1 HG SER 1 3.194 15.100 -1.343 8 H MET 2 H MET 2 4.201 13.225 -5.878 9 HA MET 2 HA MET 2 5.406 10.723 -5.668 10 1HB MET 2 1HB MET 2 4.920 12.429 -8.122 11 2HB MET 2 2HB MET 2 5.393 10.737 -8.183 12 1HG MET 2 1HG MET 2 3.349 10.054 -7.146 13 2HG MET 2 2HG MET 2 2.901 11.724 -6.811 14 1HE MET 2 1HE MET 2 3.441 9.019 -9.633 15 2HE MET 2 2HE MET 2 4.508 10.328 -10.142 16 3HE MET 2 3HE MET 2 3.063 9.952 -11.081 17 H ASN 3 H ASN 3 6.773 13.814 -6.559 18 HA ASN 3 HA ASN 3 9.256 13.069 -7.555 19 1HB ASN 3 1HB ASN 3 8.384 15.378 -7.566 20 2HB ASN 3 2HB ASN 3 8.551 15.457 -5.820 21 1HD2 ASN 3 2HD2 ASN 3 9.732 17.039 -8.043 22 2HD2 ASN 3 1HD2 ASN 3 11.438 17.005 -7.758 23 H GLU 4 H GLU 4 8.159 13.380 -4.215 24 HA GLU 4 HA GLU 4 10.666 13.075 -2.961 25 1HB GLU 4 1HB GLU 4 7.904 12.397 -1.919 26 2HB GLU 4 2HB GLU 4 9.355 12.536 -0.932 27 1HG GLU 4 1HG GLU 4 9.553 14.892 -1.536 28 2HG GLU 4 2HG GLU 4 8.117 14.758 -2.551 29 H LEU 5 H LEU 5 8.483 10.790 -4.396 30 HA LEU 5 HA LEU 5 9.811 8.479 -3.266 31 1HB LEU 5 1HB LEU 5 7.411 8.425 -3.965 32 2HB LEU 5 2HB LEU 5 7.921 8.639 -5.631 33 HG LEU 5 HG LEU 5 9.204 6.477 -5.434 34 1HD1 LEU 5 1HD1 LEU 5 8.626 4.954 -3.614 35 2HD1 LEU 5 2HD1 LEU 5 7.675 6.225 -2.846 36 3HD1 LEU 5 3HD1 LEU 5 9.422 6.409 -3.011 37 1HD2 LEU 5 1HD2 LEU 5 7.247 5.042 -5.679 38 2HD2 LEU 5 2HD2 LEU 5 7.014 6.571 -6.526 39 3HD2 LEU 5 3HD2 LEU 5 6.222 6.296 -4.975 40 H GLU 6 H GLU 6 9.790 10.313 -6.278 41 HA GLU 6 HA GLU 6 11.713 8.637 -7.606 42 1HB GLU 6 1HB GLU 6 9.867 10.312 -8.558 43 2HB GLU 6 2HB GLU 6 11.202 11.449 -8.498 44 1HG GLU 6 1HG GLU 6 11.537 8.801 -9.862 45 2HG GLU 6 2HG GLU 6 10.713 10.123 -10.680 46 H ALA 7 H ALA 7 11.978 10.788 -5.096 47 HA ALA 7 HA ALA 7 14.364 12.071 -5.265 48 1HB ALA 7 1HB ALA 7 13.533 10.251 -2.995 49 2HB ALA 7 2HB ALA 7 13.053 11.936 -3.199 50 3HB ALA 7 3HB ALA 7 14.745 11.531 -2.903 51 H GLN 8 H GLN 8 13.875 8.577 -5.055 52 HA GLN 8 HA GLN 8 16.711 8.109 -5.673 53 1HB GLN 8 1HB GLN 8 14.457 6.134 -5.169 54 2HB GLN 8 2HB GLN 8 16.151 5.717 -5.397 55 1HG GLN 8 1HG GLN 8 16.744 6.885 -3.351 56 2HG GLN 8 2HG GLN 8 15.072 7.400 -3.138 57 1HE2 GLN 8 2HE2 GLN 8 17.301 4.741 -2.946 58 2HE2 GLN 8 1HE2 GLN 8 16.258 3.668 -2.083 59 H THR 9 H THR 9 17.302 7.086 -7.703 60 HA THR 9 HA THR 9 15.265 7.727 -9.745 61 HB THR 9 HB THR 9 18.195 8.472 -9.776 62 HG1 THR 9 HG1 THR 9 15.756 9.942 -9.535 63 1HG2 THR 9 1HG2 THR 9 16.048 8.990 -11.850 64 2HG2 THR 9 2HG2 THR 9 17.430 7.910 -12.043 65 3HG2 THR 9 3HG2 THR 9 17.685 9.647 -11.877 66 H ARG 10 H ARG 10 15.182 6.638 -11.575 67 HA ARG 10 HA ARG 10 15.325 5.008 -13.114 68 1HB ARG 10 1HB ARG 10 17.671 5.904 -13.254 69 2HB ARG 10 2HB ARG 10 18.177 4.636 -12.150 70 1HG ARG 10 1HG ARG 10 16.733 3.721 -14.557 71 2HG ARG 10 2HG ARG 10 18.304 4.462 -14.847 72 1HD ARG 10 1HD ARG 10 19.368 2.885 -13.354 73 2HD ARG 10 2HD ARG 10 17.804 2.197 -12.915 74 HE ARG 10 HE ARG 10 18.727 2.096 -15.708 75 1HH1 ARG 10 1HH1 ARG 10 17.834 0.455 -12.745 76 2HH1 ARG 10 2HH1 ARG 10 17.758 -1.112 -13.489 77 1HH2 ARG 10 1HH2 ARG 10 18.628 0.042 -16.689 78 2HH2 ARG 10 2HH2 ARG 10 18.204 -1.347 -15.738 79 H VAL 11 H VAL 11 15.414 4.378 -9.894 80 HA VAL 11 HA VAL 11 14.804 1.547 -10.428 81 HB VAL 11 HB VAL 11 16.492 1.845 -8.665 82 1HG1 VAL 11 1HG1 VAL 11 14.381 3.430 -7.193 83 2HG1 VAL 11 2HG1 VAL 11 15.876 4.069 -7.878 84 3HG1 VAL 11 3HG1 VAL 11 15.940 2.928 -6.535 85 1HG2 VAL 11 1HG2 VAL 11 14.974 -0.056 -8.511 86 2HG2 VAL 11 2HG2 VAL 11 13.825 0.913 -7.589 87 3HG2 VAL 11 3HG2 VAL 11 15.402 0.525 -6.902 88 H LYS 12 H LYS 12 13.695 4.556 -9.054 89 HA LYS 12 HA LYS 12 11.098 3.567 -8.329 90 1HB LYS 12 1HB LYS 12 12.262 6.358 -8.448 91 2HB LYS 12 2HB LYS 12 10.633 6.002 -7.889 92 1HG LYS 12 1HG LYS 12 13.146 4.894 -6.640 93 2HG LYS 12 2HG LYS 12 12.272 6.312 -6.059 94 1HD LYS 12 1HD LYS 12 10.240 4.841 -5.830 95 2HD LYS 12 2HD LYS 12 11.283 3.461 -6.177 96 1HE LYS 12 1HE LYS 12 11.678 5.398 -3.891 97 2HE LYS 12 2HE LYS 12 10.900 3.822 -3.753 98 1HZ LYS 12 1HZ LYS 12 13.196 3.710 -3.071 99 2HZ LYS 12 2HZ LYS 12 13.713 4.310 -4.564 100 3HZ LYS 12 3HZ LYS 12 12.974 2.795 -4.476 101 H LEU 13 H LEU 13 12.563 4.878 -11.169 102 HA LEU 13 HA LEU 13 10.350 6.078 -12.394 103 1HB LEU 13 1HB LEU 13 12.896 4.892 -13.414 104 2HB LEU 13 2HB LEU 13 11.632 5.257 -14.571 105 HG LEU 13 HG LEU 13 13.280 7.070 -14.409 106 1HD1 LEU 13 1HD1 LEU 13 10.567 7.838 -13.332 107 2HD1 LEU 13 2HD1 LEU 13 10.986 7.612 -15.031 108 3HD1 LEU 13 3HD1 LEU 13 11.720 8.923 -14.109 109 1HD2 LEU 13 1HD2 LEU 13 13.449 8.432 -12.400 110 2HD2 LEU 13 2HD2 LEU 13 13.923 6.767 -12.071 111 3HD2 LEU 13 3HD2 LEU 13 12.341 7.350 -11.555 112 H ASN 14 H ASN 14 11.604 2.754 -12.825 113 HA ASN 14 HA ASN 14 9.533 1.832 -14.471 114 1HB ASN 14 1HB ASN 14 11.600 0.550 -14.097 115 2HB ASN 14 2HB ASN 14 11.130 0.259 -12.426 116 1HD2 ASN 14 2HD2 ASN 14 11.124 -1.968 -12.660 117 2HD2 ASN 14 1HD2 ASN 14 9.921 -2.810 -13.575 118 H TYR 15 H TYR 15 9.854 1.545 -10.941 119 HA TYR 15 HA TYR 15 7.437 0.243 -10.443 120 1HB TYR 15 1HB TYR 15 9.222 0.428 -8.759 121 2HB TYR 15 2HB TYR 15 8.946 2.162 -8.638 122 HD1 TYR 15 HD1 TYR 15 7.617 -1.169 -7.787 123 HD2 TYR 15 HD2 TYR 15 7.037 3.038 -7.403 124 HE1 TYR 15 HE1 TYR 15 5.947 -1.561 -6.026 125 HE2 TYR 15 HE2 TYR 15 5.371 2.651 -5.638 126 HH TYR 15 HH TYR 15 4.861 -0.468 -4.218 127 H LEU 16 H LEU 16 8.168 3.697 -10.677 128 HA LEU 16 HA LEU 16 5.646 4.576 -9.693 129 1HB LEU 16 1HB LEU 16 7.762 5.920 -9.654 130 2HB LEU 16 2HB LEU 16 7.621 6.114 -11.391 131 HG LEU 16 HG LEU 16 5.474 7.311 -11.069 132 1HD1 LEU 16 1HD1 LEU 16 4.830 8.053 -8.823 133 2HD1 LEU 16 2HD1 LEU 16 6.119 7.071 -8.128 134 3HD1 LEU 16 3HD1 LEU 16 4.776 6.297 -8.969 135 1HD2 LEU 16 1HD2 LEU 16 7.558 8.570 -11.266 136 2HD2 LEU 16 2HD2 LEU 16 7.800 8.468 -9.522 137 3HD2 LEU 16 3HD2 LEU 16 6.435 9.377 -10.172 138 H ASP 17 H ASP 17 7.050 4.341 -12.950 139 HA ASP 17 HA ASP 17 4.920 5.321 -14.440 140 1HB ASP 17 1HB ASP 17 7.158 4.740 -15.376 141 2HB ASP 17 2HB ASP 17 6.764 3.032 -15.208 142 H GLN 18 H GLN 18 5.597 2.017 -13.386 143 HA GLN 18 HA GLN 18 3.296 0.822 -14.516 144 1HB GLN 18 1HB GLN 18 5.306 -0.430 -13.868 145 2HB GLN 18 2HB GLN 18 5.003 -0.058 -12.178 146 1HG GLN 18 1HG GLN 18 2.814 -1.292 -12.418 147 2HG GLN 18 2HG GLN 18 3.384 -1.826 -13.999 148 1HE2 GLN 18 2HE2 GLN 18 5.423 -1.373 -11.186 149 2HE2 GLN 18 1HE2 GLN 18 5.821 -3.039 -10.968 150 H ILE 19 H ILE 19 4.007 1.917 -11.209 151 HA ILE 19 HA ILE 19 1.608 0.949 -10.059 152 HB ILE 19 HB ILE 19 3.826 1.576 -8.881 153 1HG1 ILE 19 1HG1 ILE 19 2.565 2.261 -6.767 154 2HG1 ILE 19 2HG1 ILE 19 1.106 2.258 -7.753 155 1HG2 ILE 19 1HG2 ILE 19 2.505 4.288 -8.840 156 2HG2 ILE 19 2HG2 ILE 19 3.986 3.865 -9.697 157 3HG2 ILE 19 3HG2 ILE 19 3.947 3.822 -7.935 158 1HD1 ILE 19 1HD1 ILE 19 1.316 0.180 -6.553 159 2HD1 ILE 19 2HD1 ILE 19 2.919 -0.088 -7.238 160 3HD1 ILE 19 3HD1 ILE 19 1.499 -0.107 -8.284 161 H ALA 20 H ALA 20 2.404 3.839 -11.775 162 HA ALA 20 HA ALA 20 -0.055 5.196 -11.033 163 1HB ALA 20 1HB ALA 20 1.947 6.526 -11.491 164 2HB ALA 20 2HB ALA 20 0.667 6.908 -12.642 165 3HB ALA 20 3HB ALA 20 2.015 5.881 -13.131 166 H LYS 21 H LYS 21 1.331 3.555 -13.843 167 HA LYS 21 HA LYS 21 -0.670 4.143 -15.691 168 1HB LYS 21 1HB LYS 21 1.604 3.248 -16.210 169 2HB LYS 21 2HB LYS 21 1.089 1.678 -15.614 170 1HG LYS 21 1HG LYS 21 1.030 1.707 -18.021 171 2HG LYS 21 2HG LYS 21 -0.614 1.580 -17.390 172 1HD LYS 21 1HD LYS 21 -1.079 3.859 -17.888 173 2HD LYS 21 2HD LYS 21 0.624 4.215 -18.191 174 1HE LYS 21 1HE LYS 21 -1.099 2.374 -19.857 175 2HE LYS 21 2HE LYS 21 -0.696 4.040 -20.270 176 1HZ LYS 21 1HZ LYS 21 1.215 1.783 -19.988 177 2HZ LYS 21 2HZ LYS 21 1.663 3.389 -20.269 178 3HZ LYS 21 3HZ LYS 21 0.764 2.548 -21.427 179 H PHE 22 H PHE 22 -0.225 1.045 -13.934 180 HA PHE 22 HA PHE 22 -2.521 -0.195 -14.912 181 1HB PHE 22 1HB PHE 22 -0.909 -1.546 -13.784 182 2HB PHE 22 2HB PHE 22 -1.012 -0.576 -12.319 183 HD1 PHE 22 HD1 PHE 22 -3.005 -2.895 -14.464 184 HD2 PHE 22 HD2 PHE 22 -2.453 -1.193 -10.601 185 HE1 PHE 22 HE1 PHE 22 -4.702 -4.424 -13.545 186 HE2 PHE 22 HE2 PHE 22 -4.143 -2.712 -9.672 187 HZ PHE 22 HZ PHE 22 -5.274 -4.336 -11.148 188 H TRP 23 H TRP 23 -2.116 1.956 -12.169 189 HA TRP 23 HA TRP 23 -4.743 1.510 -11.134 190 1HB TRP 23 1HB TRP 23 -2.884 2.122 -9.666 191 2HB TRP 23 2HB TRP 23 -2.722 3.667 -10.490 192 HD1 TRP 23 HD1 TRP 23 -3.366 5.305 -8.612 193 HE1 TRP 23 HE1 TRP 23 -5.474 5.706 -7.194 194 HE3 TRP 23 HE3 TRP 23 -6.018 1.121 -9.883 195 HZ2 TRP 23 HZ2 TRP 23 -7.925 4.411 -6.661 196 HZ3 TRP 23 HZ3 TRP 23 -8.231 0.777 -8.880 197 HH2 TRP 23 HH2 TRP 23 -9.166 2.386 -7.294 198 H GLU 24 H GLU 24 -3.250 4.007 -13.174 199 HA GLU 24 HA GLU 24 -5.530 5.729 -13.063 200 1HB GLU 24 1HB GLU 24 -3.196 5.646 -14.995 201 2HB GLU 24 2HB GLU 24 -4.440 6.893 -15.006 202 1HG GLU 24 1HG GLU 24 -3.822 7.505 -12.700 203 2HG GLU 24 2HG GLU 24 -2.545 6.293 -12.735 204 H ILE 25 H ILE 25 -4.389 3.228 -15.264 205 HA ILE 25 HA ILE 25 -6.508 3.596 -17.164 206 HB ILE 25 HB ILE 25 -4.688 1.196 -16.814 207 1HG1 ILE 25 1HG1 ILE 25 -3.319 3.153 -17.146 208 2HG1 ILE 25 2HG1 ILE 25 -3.367 2.271 -18.667 209 1HG2 ILE 25 1HG2 ILE 25 -5.185 0.761 -19.189 210 2HG2 ILE 25 2HG2 ILE 25 -6.329 2.103 -19.186 211 3HG2 ILE 25 3HG2 ILE 25 -6.633 0.683 -18.184 212 1HD1 ILE 25 1HD1 ILE 25 -4.944 4.748 -17.988 213 2HD1 ILE 25 2HD1 ILE 25 -5.054 3.852 -19.505 214 3HD1 ILE 25 3HD1 ILE 25 -3.545 4.645 -19.057 215 H GLN 26 H GLN 26 -6.375 2.249 -14.093 216 HA GLN 26 HA GLN 26 -8.553 0.379 -14.426 217 1HB GLN 26 1HB GLN 26 -6.822 0.134 -12.649 218 2HB GLN 26 2HB GLN 26 -7.413 1.607 -11.899 219 1HG GLN 26 1HG GLN 26 -8.222 -0.406 -10.766 220 2HG GLN 26 2HG GLN 26 -9.543 0.556 -11.426 221 1HE2 GLN 26 2HE2 GLN 26 -10.726 -0.238 -13.163 222 2HE2 GLN 26 1HE2 GLN 26 -10.666 -1.900 -13.636 223 H GLY 27 H GLY 27 -8.505 3.518 -14.916 224 1HA GLY 27 1HA GLY 27 -10.292 4.972 -15.198 225 2HA GLY 27 2HA GLY 27 -11.308 3.874 -14.269 226 H SER 28 H SER 28 -8.200 5.182 -13.281 227 HA SER 28 HA SER 28 -9.464 6.849 -11.243 228 1HB SER 28 1HB SER 28 -7.548 4.598 -10.550 229 2HB SER 28 2HB SER 28 -8.288 5.729 -9.416 230 HG SER 28 HG SER 28 -9.403 3.553 -10.764 231 H SER 29 H SER 29 -7.342 7.511 -9.725 232 HA SER 29 HA SER 29 -5.053 8.049 -11.461 233 1HB SER 29 1HB SER 29 -5.005 10.421 -10.576 234 2HB SER 29 2HB SER 29 -6.335 10.075 -11.683 235 HG SER 29 HG SER 29 -7.343 11.036 -10.041 236 H LEU 30 H LEU 30 -3.096 8.320 -10.321 237 HA LEU 30 HA LEU 30 -3.048 6.874 -7.840 238 1HB LEU 30 1HB LEU 30 -1.332 6.574 -9.607 239 2HB LEU 30 2HB LEU 30 -0.778 8.213 -9.322 240 HG LEU 30 HG LEU 30 -0.125 7.591 -7.021 241 1HD1 LEU 30 1HD1 LEU 30 -0.093 5.232 -6.353 242 2HD1 LEU 30 2HD1 LEU 30 -0.948 4.800 -7.835 243 3HD1 LEU 30 3HD1 LEU 30 -1.737 5.809 -6.622 244 1HD2 LEU 30 1HD2 LEU 30 1.521 7.464 -8.814 245 2HD2 LEU 30 2HD2 LEU 30 1.031 5.805 -9.164 246 3HD2 LEU 30 3HD2 LEU 30 1.797 6.194 -7.622 247 H LYS 31 H LYS 31 -4.232 8.267 -6.500 248 HA LYS 31 HA LYS 31 -2.963 10.799 -5.748 249 1HB LYS 31 1HB LYS 31 -5.409 10.758 -6.240 250 2HB LYS 31 2HB LYS 31 -5.635 9.653 -4.890 251 1HG LYS 31 1HG LYS 31 -4.817 11.367 -3.346 252 2HG LYS 31 2HG LYS 31 -4.575 12.473 -4.701 253 1HD LYS 31 1HD LYS 31 -6.998 12.353 -5.194 254 2HD LYS 31 2HD LYS 31 -7.215 11.309 -3.788 255 1HE LYS 31 1HE LYS 31 -6.371 13.109 -2.338 256 2HE LYS 31 2HE LYS 31 -6.187 14.150 -3.751 257 1HZ LYS 31 1HZ LYS 31 -8.231 14.647 -2.620 258 2HZ LYS 31 2HZ LYS 31 -8.734 13.036 -2.712 259 3HZ LYS 31 3HZ LYS 31 -8.586 13.958 -4.121 260 H ILE 32 H ILE 32 -1.234 10.110 -4.563 261 HA ILE 32 HA ILE 32 -1.763 8.468 -2.182 262 HB ILE 32 HB ILE 32 0.790 8.273 -2.115 263 1HG1 ILE 32 1HG1 ILE 32 0.447 9.365 -4.926 264 2HG1 ILE 32 2HG1 ILE 32 1.387 10.085 -3.623 265 1HG2 ILE 32 1HG2 ILE 32 -0.684 6.444 -2.779 266 2HG2 ILE 32 2HG2 ILE 32 0.798 6.437 -3.733 267 3HG2 ILE 32 3HG2 ILE 32 -0.700 7.044 -4.438 268 1HD1 ILE 32 1HD1 ILE 32 1.990 7.482 -5.015 269 2HD1 ILE 32 2HD1 ILE 32 2.929 8.187 -3.698 270 3HD1 ILE 32 3HD1 ILE 32 2.825 9.017 -5.250 271 HA PRO 33 HA PRO 33 -1.466 12.494 -0.119 272 1HB PRO 33 1HB PRO 33 -2.350 10.907 2.217 273 2HB PRO 33 2HB PRO 33 -3.110 12.311 1.457 274 1HG PRO 33 1HG PRO 33 -4.171 9.864 1.215 275 2HG PRO 33 2HG PRO 33 -4.216 11.025 -0.128 276 1HD PRO 33 1HD PRO 33 -2.340 8.713 0.312 277 2HD PRO 33 2HD PRO 33 -3.199 9.197 -1.169 278 H ASN 34 H ASN 34 -0.721 12.932 2.337 279 HA ASN 34 HA ASN 34 1.695 11.402 2.937 280 1HB ASN 34 1HB ASN 34 3.065 13.421 3.114 281 2HB ASN 34 2HB ASN 34 2.442 13.242 1.480 282 1HD2 ASN 34 2HD2 ASN 34 0.955 14.729 0.701 283 2HD2 ASN 34 1HD2 ASN 34 0.610 16.212 1.516 284 H VAL 35 H VAL 35 2.518 11.679 4.983 285 HA VAL 35 HA VAL 35 0.984 13.219 6.911 286 HB VAL 35 HB VAL 35 -0.098 11.036 7.023 287 1HG1 VAL 35 1HG1 VAL 35 2.649 9.886 7.514 288 2HG1 VAL 35 2HG1 VAL 35 1.680 9.678 6.053 289 3HG1 VAL 35 3HG1 VAL 35 1.126 8.997 7.583 290 1HG2 VAL 35 1HG2 VAL 35 1.750 11.455 9.374 291 2HG2 VAL 35 2HG2 VAL 35 0.284 10.475 9.382 292 3HG2 VAL 35 3HG2 VAL 35 0.178 12.217 9.132 293 H GLU 36 H GLU 36 2.256 13.911 8.667 294 HA GLU 36 HA GLU 36 4.154 14.520 9.762 295 1HB GLU 36 1HB GLU 36 5.166 11.839 8.786 296 2HB GLU 36 2HB GLU 36 6.004 12.862 9.943 297 1HG GLU 36 1HG GLU 36 3.298 11.588 10.316 298 2HG GLU 36 2HG GLU 36 4.806 11.088 11.079 299 H ARG 37 H ARG 37 3.674 15.032 6.913 300 HA ARG 37 HA ARG 37 4.573 16.127 5.168 301 1HB ARG 37 1HB ARG 37 6.995 16.372 6.965 302 2HB ARG 37 2HB ARG 37 6.891 17.104 5.372 303 1HG ARG 37 1HG ARG 37 6.310 18.863 6.744 304 2HG ARG 37 2HG ARG 37 4.731 18.221 6.292 305 1HD ARG 37 1HD ARG 37 4.733 18.680 8.655 306 2HD ARG 37 2HD ARG 37 4.710 16.931 8.424 307 HE ARG 37 HE ARG 37 7.362 17.977 8.726 308 1HH1 ARG 37 1HH1 ARG 37 4.527 16.920 10.492 309 2HH1 ARG 37 2HH1 ARG 37 5.414 16.562 11.939 310 1HH2 ARG 37 1HH2 ARG 37 8.521 17.507 10.644 311 2HH2 ARG 37 2HH2 ARG 37 7.670 16.897 12.029 312 H ARG 38 H ARG 38 5.127 13.164 5.928 313 HA ARG 38 HA ARG 38 7.094 12.626 3.805 314 1HB ARG 38 1HB ARG 38 7.701 11.508 5.852 315 2HB ARG 38 2HB ARG 38 6.064 10.898 6.073 316 1HG ARG 38 1HG ARG 38 6.318 9.492 4.079 317 2HG ARG 38 2HG ARG 38 7.955 10.103 3.859 318 1HD ARG 38 1HD ARG 38 8.644 9.103 5.961 319 2HD ARG 38 2HD ARG 38 6.989 8.573 6.279 320 HE ARG 38 HE ARG 38 7.316 7.277 4.071 321 1HH1 ARG 38 1HH1 ARG 38 9.863 7.853 6.409 322 2HH1 ARG 38 2HH1 ARG 38 10.719 6.400 6.011 323 1HH2 ARG 38 1HH2 ARG 38 8.441 5.384 3.541 324 2HH2 ARG 38 2HH2 ARG 38 9.926 5.007 4.361 325 H ILE 39 H ILE 39 6.350 11.923 1.900 326 HA ILE 39 HA ILE 39 3.615 11.442 1.363 327 HB ILE 39 HB ILE 39 5.032 12.123 -0.458 328 1HG1 ILE 39 1HG1 ILE 39 4.065 9.265 -0.770 329 2HG1 ILE 39 2HG1 ILE 39 3.191 10.737 -1.173 330 1HG2 ILE 39 1HG2 ILE 39 7.145 11.212 0.366 331 2HG2 ILE 39 2HG2 ILE 39 6.873 10.763 -1.317 332 3HG2 ILE 39 3HG2 ILE 39 6.607 9.580 -0.034 333 1HD1 ILE 39 1HD1 ILE 39 5.648 9.693 -2.566 334 2HD1 ILE 39 2HD1 ILE 39 4.790 11.180 -2.967 335 3HD1 ILE 39 3HD1 ILE 39 3.990 9.623 -3.162 336 H LEU 40 H LEU 40 2.451 9.541 1.215 337 HA LEU 40 HA LEU 40 3.407 7.241 2.594 338 1HB LEU 40 1HB LEU 40 1.005 7.835 2.466 339 2HB LEU 40 2HB LEU 40 1.024 7.514 0.741 340 HG LEU 40 HG LEU 40 1.559 5.140 1.201 341 1HD1 LEU 40 1HD1 LEU 40 1.364 4.271 3.481 342 2HD1 LEU 40 2HD1 LEU 40 1.199 5.916 4.096 343 3HD1 LEU 40 3HD1 LEU 40 2.705 5.406 3.331 344 1HD2 LEU 40 1HD2 LEU 40 -0.649 4.508 2.053 345 2HD2 LEU 40 2HD2 LEU 40 -0.764 5.825 0.888 346 3HD2 LEU 40 3HD2 LEU 40 -0.910 6.160 2.614 347 H ASP 41 H ASP 41 5.295 6.582 1.623 348 HA ASP 41 HA ASP 41 5.477 6.139 -1.203 349 1HB ASP 41 1HB ASP 41 7.727 5.154 -0.641 350 2HB ASP 41 2HB ASP 41 7.492 6.817 -0.128 351 H LEU 42 H LEU 42 4.018 4.720 -1.825 352 HA LEU 42 HA LEU 42 3.038 2.483 -0.606 353 1HB LEU 42 1HB LEU 42 2.156 3.538 -2.651 354 2HB LEU 42 2HB LEU 42 3.489 2.873 -3.564 355 HG LEU 42 HG LEU 42 2.689 0.624 -3.257 356 1HD1 LEU 42 1HD1 LEU 42 0.668 0.104 -2.001 357 2HD1 LEU 42 2HD1 LEU 42 0.526 1.791 -1.506 358 3HD1 LEU 42 3HD1 LEU 42 1.894 0.821 -0.959 359 1HD2 LEU 42 1HD2 LEU 42 0.376 2.432 -3.983 360 2HD2 LEU 42 2HD2 LEU 42 0.536 0.726 -4.407 361 3HD2 LEU 42 3HD2 LEU 42 1.658 1.908 -5.074 362 H TYR 43 H TYR 43 5.955 2.778 -2.486 363 HA TYR 43 HA TYR 43 6.599 0.197 -3.119 364 1HB TYR 43 1HB TYR 43 7.897 2.501 -3.394 365 2HB TYR 43 2HB TYR 43 8.785 1.911 -1.995 366 HD1 TYR 43 HD2 TYR 43 8.764 -1.060 -2.726 367 HD2 TYR 43 HD1 TYR 43 9.591 2.430 -5.023 368 HE1 TYR 43 HE2 TYR 43 10.189 -2.385 -4.227 369 HE2 TYR 43 HE1 TYR 43 11.016 1.114 -6.522 370 HH TYR 43 HH TYR 43 11.065 -2.298 -6.500 371 H SER 44 H SER 44 7.603 1.817 -0.085 372 HA SER 44 HA SER 44 8.673 -0.501 1.105 373 1HB SER 44 1HB SER 44 7.599 2.009 2.424 374 2HB SER 44 2HB SER 44 8.616 0.795 3.209 375 HG SER 44 HG SER 44 9.373 2.873 1.751 376 H LEU 45 H LEU 45 5.482 1.003 1.287 377 HA LEU 45 HA LEU 45 4.326 -0.688 3.191 378 1HB LEU 45 1HB LEU 45 3.272 1.389 2.403 379 2HB LEU 45 2HB LEU 45 3.031 0.677 0.820 380 HG LEU 45 HG LEU 45 1.497 -0.996 1.826 381 1HD1 LEU 45 1HD1 LEU 45 2.401 -1.044 4.084 382 2HD1 LEU 45 2HD1 LEU 45 0.678 -0.671 4.107 383 3HD1 LEU 45 3HD1 LEU 45 1.861 0.614 4.354 384 1HD2 LEU 45 1HD2 LEU 45 0.599 1.044 0.834 385 2HD2 LEU 45 2HD2 LEU 45 0.757 1.881 2.378 386 3HD2 LEU 45 3HD2 LEU 45 -0.371 0.534 2.215 387 H SER 46 H SER 46 4.869 -1.064 -0.249 388 HA SER 46 HA SER 46 3.238 -3.331 -0.665 389 1HB SER 46 1HB SER 46 5.733 -2.514 -2.191 390 2HB SER 46 2HB SER 46 4.477 -3.613 -2.758 391 HG SER 46 HG SER 46 3.594 -1.125 -1.943 392 H LYS 47 H LYS 47 6.762 -2.996 -0.136 393 HA LYS 47 HA LYS 47 7.221 -5.797 -0.142 394 1HB LYS 47 1HB LYS 47 9.461 -5.304 0.629 395 2HB LYS 47 2HB LYS 47 8.999 -4.144 -0.606 396 1HG LYS 47 1HG LYS 47 8.526 -2.486 1.155 397 2HG LYS 47 2HG LYS 47 9.055 -3.652 2.371 398 1HD LYS 47 1HD LYS 47 11.282 -3.724 1.282 399 2HD LYS 47 2HD LYS 47 10.740 -2.496 0.137 400 1HE LYS 47 1HE LYS 47 10.351 -0.952 2.040 401 2HE LYS 47 2HE LYS 47 10.994 -2.179 3.133 402 1HZ LYS 47 1HZ LYS 47 12.698 -0.594 2.598 403 2HZ LYS 47 2HZ LYS 47 12.470 -0.826 0.937 404 3HZ LYS 47 3HZ LYS 47 13.098 -2.078 1.886 405 H ILE 48 H ILE 48 6.247 -3.557 2.345 406 HA ILE 48 HA ILE 48 6.828 -5.335 4.528 407 HB ILE 48 HB ILE 48 5.171 -2.813 4.389 408 1HG1 ILE 48 1HG1 ILE 48 7.882 -3.410 5.614 409 2HG1 ILE 48 2HG1 ILE 48 7.612 -2.545 4.106 410 1HG2 ILE 48 1HG2 ILE 48 5.883 -4.451 6.831 411 2HG2 ILE 48 2HG2 ILE 48 4.267 -4.232 6.159 412 3HG2 ILE 48 3HG2 ILE 48 5.127 -2.857 6.851 413 1HD1 ILE 48 1HD1 ILE 48 8.118 -1.020 5.912 414 2HD1 ILE 48 2HD1 ILE 48 6.755 -1.638 6.844 415 3HD1 ILE 48 3HD1 ILE 48 6.470 -0.772 5.335 416 H VAL 49 H VAL 49 3.851 -4.443 2.759 417 HA VAL 49 HA VAL 49 2.105 -6.086 4.255 418 HB VAL 49 HB VAL 49 1.905 -5.141 1.373 419 1HG1 VAL 49 1HG1 VAL 49 -0.214 -6.493 3.061 420 2HG1 VAL 49 2HG1 VAL 49 0.564 -7.164 1.626 421 3HG1 VAL 49 3HG1 VAL 49 -0.480 -5.750 1.483 422 1HG2 VAL 49 1HG2 VAL 49 0.283 -3.536 2.272 423 2HG2 VAL 49 2HG2 VAL 49 1.852 -3.355 3.055 424 3HG2 VAL 49 3HG2 VAL 49 0.538 -4.177 3.896 425 H VAL 50 H VAL 50 4.137 -6.720 1.422 426 HA VAL 50 HA VAL 50 3.320 -9.415 1.024 427 HB VAL 50 HB VAL 50 5.928 -8.055 0.276 428 1HG1 VAL 50 1HG1 VAL 50 6.235 -10.472 0.347 429 2HG1 VAL 50 2HG1 VAL 50 6.231 -9.906 -1.323 430 3HG1 VAL 50 3HG1 VAL 50 4.804 -10.704 -0.659 431 1HG2 VAL 50 1HG2 VAL 50 4.941 -7.900 -1.967 432 2HG2 VAL 50 2HG2 VAL 50 3.967 -7.038 -0.777 433 3HG2 VAL 50 3HG2 VAL 50 3.448 -8.619 -1.364 434 H GLU 51 H GLU 51 5.871 -7.902 2.948 435 HA GLU 51 HA GLU 51 7.113 -10.187 3.980 436 1HB GLU 51 1HB GLU 51 8.023 -7.955 4.333 437 2HB GLU 51 2HB GLU 51 6.600 -7.480 5.248 438 1HG GLU 51 1HG GLU 51 7.218 -9.212 6.948 439 2HG GLU 51 2HG GLU 51 8.725 -9.452 6.065 440 H GLU 52 H GLU 52 4.252 -8.425 5.019 441 HA GLU 52 HA GLU 52 3.753 -10.042 7.326 442 1HB GLU 52 1HB GLU 52 2.028 -8.042 5.853 443 2HB GLU 52 2HB GLU 52 1.608 -8.766 7.394 444 1HG GLU 52 1HG GLU 52 4.084 -7.114 6.930 445 2HG GLU 52 2HG GLU 52 2.561 -6.465 7.531 446 H GLY 53 H GLY 53 2.639 -10.015 3.988 447 1HA GLY 53 1HA GLY 53 2.283 -12.170 2.970 448 2HA GLY 53 2HA GLY 53 1.551 -12.715 4.466 449 H GLY 54 H GLY 54 0.151 -9.823 4.259 450 1HA GLY 54 1HA GLY 54 -1.474 -9.729 2.039 451 2HA GLY 54 2HA GLY 54 -2.266 -10.872 3.112 452 H TYR 55 H TYR 55 -2.662 -7.933 2.097 453 HA TYR 55 HA TYR 55 -2.725 -6.096 4.136 454 1HB TYR 55 1HB TYR 55 -3.368 -5.346 2.006 455 2HB TYR 55 2HB TYR 55 -4.566 -6.614 1.813 456 HD1 TYR 55 HD2 TYR 55 -3.864 -3.489 3.719 457 HD2 TYR 55 HD1 TYR 55 -6.824 -6.184 2.279 458 HE1 TYR 55 HE2 TYR 55 -5.626 -1.916 4.403 459 HE2 TYR 55 HE1 TYR 55 -8.587 -4.615 2.950 460 HH TYR 55 HH TYR 55 -8.886 -2.776 4.593 461 H GLU 56 H GLU 56 -5.269 -8.445 3.381 462 HA GLU 56 HA GLU 56 -7.117 -7.646 5.311 463 1HB GLU 56 1HB GLU 56 -7.408 -9.207 3.292 464 2HB GLU 56 2HB GLU 56 -6.799 -10.487 4.328 465 1HG GLU 56 1HG GLU 56 -9.143 -8.820 5.163 466 2HG GLU 56 2HG GLU 56 -9.348 -10.173 4.052 467 H ALA 57 H ALA 57 -4.556 -10.093 5.477 468 HA ALA 57 HA ALA 57 -5.173 -11.058 8.052 469 1HB ALA 57 1HB ALA 57 -3.730 -12.268 6.469 470 2HB ALA 57 2HB ALA 57 -2.940 -12.042 8.029 471 3HB ALA 57 3HB ALA 57 -2.490 -11.028 6.656 472 H ILE 58 H ILE 58 -2.985 -8.510 6.928 473 HA ILE 58 HA ILE 58 -1.833 -7.825 9.403 474 HB ILE 58 HB ILE 58 -2.456 -5.913 7.140 475 1HG1 ILE 58 1HG1 ILE 58 0.048 -7.572 7.532 476 2HG1 ILE 58 2HG1 ILE 58 -1.216 -7.937 6.363 477 1HG2 ILE 58 1HG2 ILE 58 -0.555 -4.635 7.970 478 2HG2 ILE 58 2HG2 ILE 58 -0.310 -5.812 9.257 479 3HG2 ILE 58 3HG2 ILE 58 -1.774 -4.831 9.229 480 1HD1 ILE 58 1HD1 ILE 58 -0.780 -5.819 5.231 481 2HD1 ILE 58 2HD1 ILE 58 0.665 -6.827 5.310 482 3HD1 ILE 58 3HD1 ILE 58 0.487 -5.455 6.403 483 H CYS 59 H CYS 59 -4.794 -6.807 7.800 484 HA CYS 59 HA CYS 59 -5.422 -4.692 9.577 485 1HB CYS 59 1HB CYS 59 -6.315 -4.962 7.243 486 2HB CYS 59 2HB CYS 59 -7.345 -6.263 7.838 487 HG CYS 59 HG CYS 59 -9.283 -4.640 8.252 488 H LYS 60 H LYS 60 -6.585 -8.053 9.332 489 HA LYS 60 HA LYS 60 -8.326 -7.873 11.566 490 1HB LYS 60 1HB LYS 60 -7.082 -10.261 10.194 491 2HB LYS 60 2HB LYS 60 -8.276 -10.393 11.479 492 1HG LYS 60 1HG LYS 60 -8.687 -9.084 8.793 493 2HG LYS 60 2HG LYS 60 -9.300 -10.661 9.296 494 1HD LYS 60 1HD LYS 60 -10.571 -9.495 11.121 495 2HD LYS 60 2HD LYS 60 -10.067 -7.958 10.413 496 1HE LYS 60 1HE LYS 60 -11.740 -10.096 9.086 497 2HE LYS 60 2HE LYS 60 -12.302 -8.527 9.658 498 1HZ LYS 60 1HZ LYS 60 -10.342 -8.979 7.470 499 2HZ LYS 60 2HZ LYS 60 -10.857 -7.467 8.026 500 3HZ LYS 60 3HZ LYS 60 -11.958 -8.511 7.280 501 H ASP 61 H ASP 61 -4.912 -8.577 11.259 502 HA ASP 61 HA ASP 61 -4.771 -9.440 14.058 503 1HB ASP 61 1HB ASP 61 -3.527 -10.630 12.174 504 2HB ASP 61 2HB ASP 61 -2.462 -9.228 12.116 505 H ARG 62 H ARG 62 -4.677 -6.589 12.360 506 HA ARG 62 HA ARG 62 -4.199 -4.447 12.907 507 1HB ARG 62 1HB ARG 62 -4.200 -5.721 15.633 508 2HB ARG 62 2HB ARG 62 -3.786 -4.023 15.450 509 1HG ARG 62 1HG ARG 62 -6.096 -4.153 16.006 510 2HG ARG 62 2HG ARG 62 -5.980 -3.674 14.314 511 1HD ARG 62 1HD ARG 62 -6.323 -6.114 13.730 512 2HD ARG 62 2HD ARG 62 -6.715 -6.378 15.430 513 HE ARG 62 HE ARG 62 -8.227 -4.272 14.159 514 1HH1 ARG 62 1HH1 ARG 62 -8.132 -7.691 14.933 515 2HH1 ARG 62 2HH1 ARG 62 -9.842 -7.901 14.713 516 1HH2 ARG 62 1HH2 ARG 62 -10.446 -4.566 13.845 517 2HH2 ARG 62 2HH2 ARG 62 -11.153 -6.136 14.077 518 H ARG 63 H ARG 63 -2.067 -5.886 11.849 519 HA ARG 63 HA ARG 63 0.310 -5.339 13.431 520 1HB ARG 63 1HB ARG 63 0.090 -6.246 10.550 521 2HB ARG 63 2HB ARG 63 1.546 -6.260 11.533 522 1HG ARG 63 1HG ARG 63 0.612 -7.963 12.970 523 2HG ARG 63 2HG ARG 63 -0.929 -7.887 12.111 524 1HD ARG 63 1HD ARG 63 0.218 -8.620 10.046 525 2HD ARG 63 2HD ARG 63 1.725 -8.758 10.952 526 HE ARG 63 HE ARG 63 -0.010 -10.322 12.341 527 1HH1 ARG 63 1HH1 ARG 63 1.013 -10.228 8.986 528 2HH1 ARG 63 2HH1 ARG 63 0.758 -11.923 8.727 529 1HH2 ARG 63 1HH2 ARG 63 -0.320 -12.556 12.002 530 2HH2 ARG 63 2HH2 ARG 63 0.003 -13.247 10.443 531 H TRP 64 H TRP 64 -1.691 -3.476 11.524 532 HA TRP 64 HA TRP 64 0.015 -1.945 9.942 533 1HB TRP 64 1HB TRP 64 -2.524 -1.109 11.360 534 2HB TRP 64 2HB TRP 64 -1.701 -0.126 10.154 535 HD1 TRP 64 HD1 TRP 64 -4.590 -2.173 10.305 536 HE1 TRP 64 HE1 TRP 64 -5.160 -3.264 8.048 537 HE3 TRP 64 HE3 TRP 64 -0.103 -1.527 7.898 538 HZ2 TRP 64 HZ2 TRP 64 -3.894 -3.787 5.600 539 HZ3 TRP 64 HZ3 TRP 64 0.119 -2.354 5.596 540 HH2 TRP 64 HH2 TRP 64 -1.740 -3.463 4.471 541 H ALA 65 H ALA 65 -0.366 -1.978 13.366 542 HA ALA 65 HA ALA 65 0.540 0.582 14.036 543 1HB ALA 65 1HB ALA 65 -0.466 -0.926 15.665 544 2HB ALA 65 2HB ALA 65 1.122 -0.389 16.211 545 3HB ALA 65 3HB ALA 65 0.921 -2.007 15.542 546 H ARG 66 H ARG 66 2.417 -2.475 13.786 547 HA ARG 66 HA ARG 66 4.903 -1.091 14.067 548 1HB ARG 66 1HB ARG 66 5.964 -3.265 13.484 549 2HB ARG 66 2HB ARG 66 4.826 -3.362 14.812 550 1HG ARG 66 1HG ARG 66 4.474 -5.298 13.539 551 2HG ARG 66 2HG ARG 66 3.133 -4.229 13.134 552 1HD ARG 66 1HD ARG 66 4.095 -5.395 11.170 553 2HD ARG 66 2HD ARG 66 4.166 -3.640 11.039 554 HE ARG 66 HE ARG 66 6.590 -4.104 11.971 555 1HH1 ARG 66 1HH1 ARG 66 4.818 -5.925 9.564 556 2HH1 ARG 66 2HH1 ARG 66 6.245 -6.374 8.676 557 1HH2 ARG 66 1HH2 ARG 66 8.470 -4.718 10.794 558 2HH2 ARG 66 2HH2 ARG 66 8.296 -5.697 9.370 559 H VAL 67 H VAL 67 2.853 -1.795 11.378 560 HA VAL 67 HA VAL 67 4.800 -1.532 9.319 561 HB VAL 67 HB VAL 67 1.821 -0.971 9.213 562 1HG1 VAL 67 1HG1 VAL 67 2.984 0.132 7.373 563 2HG1 VAL 67 2HG1 VAL 67 2.042 -1.234 6.777 564 3HG1 VAL 67 3HG1 VAL 67 3.792 -1.380 6.954 565 1HG2 VAL 67 1HG2 VAL 67 3.374 -3.451 8.448 566 2HG2 VAL 67 2HG2 VAL 67 1.640 -3.212 8.228 567 3HG2 VAL 67 3HG2 VAL 67 2.322 -3.278 9.853 568 H ALA 68 H ALA 68 2.469 0.773 10.725 569 HA ALA 68 HA ALA 68 3.390 3.048 9.353 570 1HB ALA 68 1HB ALA 68 1.239 3.000 10.525 571 2HB ALA 68 2HB ALA 68 2.234 4.347 11.076 572 3HB ALA 68 3HB ALA 68 2.079 2.901 12.074 573 H GLN 69 H GLN 69 4.292 1.634 12.474 574 HA GLN 69 HA GLN 69 6.216 3.525 13.254 575 1HB GLN 69 1HB GLN 69 5.321 1.768 14.743 576 2HB GLN 69 2HB GLN 69 6.152 0.542 13.797 577 1HG GLN 69 1HG GLN 69 8.313 1.608 14.411 578 2HG GLN 69 2HG GLN 69 7.421 2.712 15.460 579 1HE2 GLN 69 2HE2 GLN 69 8.457 1.976 17.305 580 2HE2 GLN 69 1HE2 GLN 69 8.133 0.426 17.999 581 H ARG 70 H ARG 70 6.371 0.771 11.094 582 HA ARG 70 HA ARG 70 9.153 0.682 10.674 583 1HB ARG 70 1HB ARG 70 6.821 -0.599 9.624 584 2HB ARG 70 2HB ARG 70 7.757 -0.019 8.259 585 1HG ARG 70 1HG ARG 70 8.975 -1.669 10.462 586 2HG ARG 70 2HG ARG 70 8.203 -2.387 9.048 587 1HD ARG 70 1HD ARG 70 10.570 -2.269 8.654 588 2HD ARG 70 2HD ARG 70 9.763 -1.103 7.603 589 HE ARG 70 HE ARG 70 10.703 0.007 10.092 590 1HH1 ARG 70 1HH1 ARG 70 11.566 -0.771 6.793 591 2HH1 ARG 70 2HH1 ARG 70 12.810 0.434 6.700 592 1HH2 ARG 70 1HH2 ARG 70 12.317 1.593 9.979 593 2HH2 ARG 70 2HH2 ARG 70 13.240 1.791 8.523 594 H LEU 71 H LEU 71 6.556 2.447 9.045 595 HA LEU 71 HA LEU 71 8.398 3.911 7.354 596 1HB LEU 71 1HB LEU 71 5.421 4.016 7.769 597 2HB LEU 71 2HB LEU 71 6.249 5.258 6.846 598 HG LEU 71 HG LEU 71 7.086 3.512 5.283 599 1HD1 LEU 71 1HD1 LEU 71 7.067 1.587 6.770 600 2HD1 LEU 71 2HD1 LEU 71 6.102 1.273 5.329 601 3HD1 LEU 71 3HD1 LEU 71 5.304 1.650 6.856 602 1HD2 LEU 71 1HD2 LEU 71 4.083 3.577 5.615 603 2HD2 LEU 71 2HD2 LEU 71 4.953 3.112 4.153 604 3HD2 LEU 71 3HD2 LEU 71 5.062 4.766 4.753 605 H ASN 72 H ASN 72 8.200 4.046 10.444 606 HA ASN 72 HA ASN 72 8.646 5.478 12.095 607 1HB ASN 72 1HB ASN 72 10.054 7.424 11.657 608 2HB ASN 72 2HB ASN 72 10.621 6.022 10.770 609 1HD2 ASN 72 2HD2 ASN 72 8.848 9.051 10.455 610 2HD2 ASN 72 1HD2 ASN 72 9.213 9.295 8.787 611 H TYR 73 H TYR 73 6.013 5.639 10.846 612 HA TYR 73 HA TYR 73 5.130 8.341 11.378 613 1HB TYR 73 1HB TYR 73 3.533 5.772 11.114 614 2HB TYR 73 2HB TYR 73 2.853 7.393 11.173 615 HD1 TYR 73 HD1 TYR 73 5.039 8.641 9.326 616 HD2 TYR 73 HD2 TYR 73 2.574 5.182 9.011 617 HE1 TYR 73 HE1 TYR 73 5.148 8.790 6.874 618 HE2 TYR 73 HE2 TYR 73 2.682 5.317 6.567 619 HH TYR 73 HH TYR 73 4.887 7.265 4.918 620 HA PRO 74 HA PRO 74 4.428 8.066 15.803 621 1HB PRO 74 1HB PRO 74 1.586 8.809 15.241 622 2HB PRO 74 2HB PRO 74 2.742 9.546 16.358 623 1HG PRO 74 1HG PRO 74 2.139 10.743 14.059 624 2HG PRO 74 2HG PRO 74 3.806 10.746 14.671 625 1HD PRO 74 1HD PRO 74 2.590 9.099 12.484 626 2HD PRO 74 2HD PRO 74 4.205 9.831 12.579 627 HA PRO 75 HA PRO 75 2.677 3.907 16.019 628 1HB PRO 75 1HB PRO 75 3.328 4.144 18.895 629 2HB PRO 75 2HB PRO 75 3.909 2.974 17.706 630 1HG PRO 75 1HG PRO 75 5.512 4.896 18.670 631 2HG PRO 75 2HG PRO 75 5.622 4.354 16.983 632 1HD PRO 75 1HD PRO 75 4.293 6.806 18.103 633 2HD PRO 75 2HD PRO 75 5.315 6.640 16.656 634 H GLY 76 H GLY 76 1.411 2.952 18.295 635 1HA GLY 76 1HA GLY 76 -0.567 3.047 19.491 636 2HA GLY 76 2HA GLY 76 -0.611 4.783 19.213 637 H LYS 77 H LYS 77 -0.215 2.705 16.525 638 HA LYS 77 HA LYS 77 -1.369 2.427 14.604 639 1HB LYS 77 1HB LYS 77 -3.501 1.295 14.770 640 2HB LYS 77 2HB LYS 77 -2.410 0.685 16.002 641 1HG LYS 77 1HG LYS 77 -3.566 1.893 17.720 642 2HG LYS 77 2HG LYS 77 -4.549 2.745 16.529 643 1HD LYS 77 1HD LYS 77 -5.645 0.675 15.897 644 2HD LYS 77 2HD LYS 77 -4.591 -0.246 16.972 645 1HE LYS 77 1HE LYS 77 -6.838 0.150 17.930 646 2HE LYS 77 2HE LYS 77 -5.542 0.833 18.910 647 1HZ LYS 77 1HZ LYS 77 -7.225 2.368 17.002 648 2HZ LYS 77 2HZ LYS 77 -6.030 3.002 18.014 649 3HZ LYS 77 3HZ LYS 77 -7.433 2.338 18.680 650 H ASN 78 H ASN 78 -1.557 5.180 15.926 651 HA ASN 78 HA ASN 78 -4.063 6.314 15.363 652 1HB ASN 78 1HB ASN 78 -1.319 7.592 15.456 653 2HB ASN 78 2HB ASN 78 -2.819 8.503 15.330 654 1HD2 ASN 78 2HD2 ASN 78 -4.292 6.699 17.099 655 2HD2 ASN 78 1HD2 ASN 78 -3.721 7.025 18.696 656 H ILE 79 H ILE 79 -1.068 6.424 13.413 657 HA ILE 79 HA ILE 79 -2.475 7.446 11.118 658 HB ILE 79 HB ILE 79 0.343 6.338 11.302 659 1HG1 ILE 79 1HG1 ILE 79 0.172 8.250 12.750 660 2HG1 ILE 79 2HG1 ILE 79 0.981 8.781 11.279 661 1HG2 ILE 79 1HG2 ILE 79 0.758 7.574 9.214 662 2HG2 ILE 79 2HG2 ILE 79 -0.949 8.012 9.140 663 3HG2 ILE 79 3HG2 ILE 79 -0.466 6.321 9.003 664 1HD1 ILE 79 1HD1 ILE 79 -1.914 9.239 11.969 665 2HD1 ILE 79 2HD1 ILE 79 -1.115 9.754 10.483 666 3HD1 ILE 79 3HD1 ILE 79 -0.616 10.430 12.033 667 H GLY 80 H GLY 80 -2.134 4.404 12.500 668 1HA GLY 80 1HA GLY 80 -1.969 2.671 10.301 669 2HA GLY 80 2HA GLY 80 -2.757 2.299 11.829 670 H SER 81 H SER 81 -4.737 4.323 11.741 671 HA SER 81 HA SER 81 -6.726 3.081 10.136 672 1HB SER 81 1HB SER 81 -8.125 5.056 10.873 673 2HB SER 81 2HB SER 81 -7.376 4.159 12.195 674 HG SER 81 HG SER 81 -6.277 5.874 12.713 675 H LEU 82 H LEU 82 -4.849 6.053 9.855 676 HA LEU 82 HA LEU 82 -5.969 7.090 7.501 677 1HB LEU 82 1HB LEU 82 -4.513 8.402 8.933 678 2HB LEU 82 2HB LEU 82 -3.179 7.305 8.663 679 HG LEU 82 HG LEU 82 -4.327 8.792 6.318 680 1HD1 LEU 82 1HD1 LEU 82 -2.364 9.948 8.308 681 2HD1 LEU 82 2HD1 LEU 82 -4.008 10.518 8.014 682 3HD1 LEU 82 3HD1 LEU 82 -2.789 10.655 6.746 683 1HD2 LEU 82 1HD2 LEU 82 -2.616 7.069 5.932 684 2HD2 LEU 82 2HD2 LEU 82 -1.520 7.909 7.031 685 3HD2 LEU 82 3HD2 LEU 82 -2.017 8.677 5.519 686 H LEU 83 H LEU 83 -3.387 4.774 8.062 687 HA LEU 83 HA LEU 83 -2.511 4.480 5.402 688 1HB LEU 83 1HB LEU 83 -1.207 3.777 7.362 689 2HB LEU 83 2HB LEU 83 -2.392 2.535 7.717 690 HG LEU 83 HG LEU 83 -1.808 1.360 5.638 691 1HD1 LEU 83 1HD1 LEU 83 -1.166 3.277 4.277 692 2HD1 LEU 83 2HD1 LEU 83 0.125 2.078 4.312 693 3HD1 LEU 83 3HD1 LEU 83 0.254 3.540 5.290 694 1HD2 LEU 83 1HD2 LEU 83 -0.619 0.799 7.703 695 2HD2 LEU 83 2HD2 LEU 83 0.598 2.025 7.344 696 3HD2 LEU 83 3HD2 LEU 83 0.428 0.617 6.295 697 H ARG 84 H ARG 84 -4.672 2.420 7.367 698 HA ARG 84 HA ARG 84 -5.419 0.621 5.373 699 1HB ARG 84 1HB ARG 84 -5.985 0.172 7.673 700 2HB ARG 84 2HB ARG 84 -6.958 1.633 7.777 701 1HG ARG 84 1HG ARG 84 -8.564 0.681 6.185 702 2HG ARG 84 2HG ARG 84 -7.586 -0.783 6.078 703 1HD ARG 84 1HD ARG 84 -7.997 -1.300 8.390 704 2HD ARG 84 2HD ARG 84 -8.798 0.252 8.643 705 HE ARG 84 HE ARG 84 -10.279 -0.909 6.683 706 1HH1 ARG 84 1HH1 ARG 84 -9.237 -2.018 9.840 707 2HH1 ARG 84 2HH1 ARG 84 -10.649 -2.983 10.111 708 1HH2 ARG 84 1HH2 ARG 84 -12.159 -2.168 7.058 709 2HH2 ARG 84 2HH2 ARG 84 -12.305 -3.073 8.536 710 H SER 85 H SER 85 -6.770 3.765 6.235 711 HA SER 85 HA SER 85 -9.031 3.756 4.606 712 1HB SER 85 1HB SER 85 -8.514 5.460 6.366 713 2HB SER 85 2HB SER 85 -7.302 6.155 5.293 714 HG SER 85 HG SER 85 -9.990 5.835 4.474 715 H HIS 86 H HIS 86 -5.828 5.181 3.905 716 HA HIS 86 HA HIS 86 -6.435 5.911 1.252 717 1HB HIS 86 1HB HIS 86 -3.728 5.322 2.482 718 2HB HIS 86 2HB HIS 86 -3.989 6.152 0.953 719 HD1 HIS 86 HD1 HIS 86 -6.541 7.673 2.612 720 HD2 HIS 86 HD2 HIS 86 -2.432 7.799 3.220 721 HE1 HIS 86 HE1 HIS 86 -6.111 9.803 3.870 722 HE2 HIS 86 HE2 HIS 86 -3.611 9.908 4.141 723 H TYR 87 H TYR 87 -5.145 2.958 2.647 724 HA TYR 87 HA TYR 87 -4.285 1.704 0.295 725 1HB TYR 87 1HB TYR 87 -3.852 0.910 2.662 726 2HB TYR 87 2HB TYR 87 -5.503 0.301 2.694 727 HD1 TYR 87 HD2 TYR 87 -6.149 -1.411 0.827 728 HD2 TYR 87 HD1 TYR 87 -2.124 -0.457 1.863 729 HE1 TYR 87 HE2 TYR 87 -5.387 -3.498 -0.212 730 HE2 TYR 87 HE1 TYR 87 -1.359 -2.543 0.813 731 HH TYR 87 HH TYR 87 -2.478 -4.880 0.265 732 H GLU 88 H GLU 88 -7.414 1.541 1.979 733 HA GLU 88 HA GLU 88 -8.667 -0.303 0.310 734 1HB GLU 88 1HB GLU 88 -9.558 0.407 2.500 735 2HB GLU 88 2HB GLU 88 -9.944 1.987 1.829 736 1HG GLU 88 1HG GLU 88 -11.452 0.818 0.190 737 2HG GLU 88 2HG GLU 88 -11.176 -0.665 1.100 738 H ARG 89 H ARG 89 -8.311 3.189 -0.049 739 HA ARG 89 HA ARG 89 -10.338 3.336 -2.110 740 1HB ARG 89 1HB ARG 89 -8.417 5.557 -1.437 741 2HB ARG 89 2HB ARG 89 -10.063 5.675 -2.041 742 1HG ARG 89 1HG ARG 89 -9.194 4.885 0.731 743 2HG ARG 89 2HG ARG 89 -10.018 6.366 0.252 744 1HD ARG 89 1HD ARG 89 -11.195 3.597 -0.017 745 2HD ARG 89 2HD ARG 89 -11.487 4.672 1.351 746 HE ARG 89 HE ARG 89 -12.103 5.925 -1.141 747 1HH1 ARG 89 1HH1 ARG 89 -13.330 3.624 1.207 748 2HH1 ARG 89 2HH1 ARG 89 -14.993 3.986 0.867 749 1HH2 ARG 89 1HH2 ARG 89 -14.295 6.384 -1.591 750 2HH2 ARG 89 2HH2 ARG 89 -15.542 5.546 -0.720 751 H ILE 90 H ILE 90 -6.852 3.122 -1.959 752 HA ILE 90 HA ILE 90 -6.696 3.644 -4.865 753 HB ILE 90 HB ILE 90 -4.599 4.186 -2.747 754 1HG1 ILE 90 1HG1 ILE 90 -6.444 5.817 -2.721 755 2HG1 ILE 90 2HG1 ILE 90 -4.949 6.556 -3.280 756 1HG2 ILE 90 1HG2 ILE 90 -4.487 4.663 -5.730 757 2HG2 ILE 90 2HG2 ILE 90 -3.540 3.487 -4.819 758 3HG2 ILE 90 3HG2 ILE 90 -3.286 5.213 -4.561 759 1HD1 ILE 90 1HD1 ILE 90 -7.235 5.656 -5.024 760 2HD1 ILE 90 2HD1 ILE 90 -5.737 6.400 -5.586 761 3HD1 ILE 90 3HD1 ILE 90 -6.851 7.318 -4.574 762 H VAL 91 H VAL 91 -5.195 1.791 -2.213 763 HA VAL 91 HA VAL 91 -3.489 0.417 -4.136 764 HB VAL 91 HB VAL 91 -3.487 0.176 -1.122 765 1HG1 VAL 91 1HG1 VAL 91 -2.335 -1.645 -2.285 766 2HG1 VAL 91 2HG1 VAL 91 -1.195 -0.620 -1.414 767 3HG1 VAL 91 3HG1 VAL 91 -1.356 -0.470 -3.165 768 1HG2 VAL 91 1HG2 VAL 91 -1.678 1.826 -1.123 769 2HG2 VAL 91 2HG2 VAL 91 -3.167 2.511 -1.772 770 3HG2 VAL 91 3HG2 VAL 91 -1.865 2.037 -2.865 771 H TYR 92 H TYR 92 -6.424 -0.224 -2.483 772 HA TYR 92 HA TYR 92 -6.068 -2.883 -1.743 773 1HB TYR 92 1HB TYR 92 -8.038 -1.260 -1.222 774 2HB TYR 92 2HB TYR 92 -8.759 -1.933 -2.681 775 HD1 TYR 92 HD2 TYR 92 -6.870 -4.544 -1.426 776 HD2 TYR 92 HD1 TYR 92 -10.407 -2.354 -0.515 777 HE1 TYR 92 HE2 TYR 92 -7.702 -6.447 -0.125 778 HE2 TYR 92 HE1 TYR 92 -11.252 -4.266 0.788 779 HH TYR 92 HH TYR 92 -10.920 -6.672 0.960 780 HA PRO 93 HA PRO 93 -7.723 -4.078 -6.280 781 1HB PRO 93 1HB PRO 93 -6.241 -1.828 -7.592 782 2HB PRO 93 2HB PRO 93 -7.723 -2.649 -8.103 783 1HG PRO 93 1HG PRO 93 -7.854 -0.240 -7.000 784 2HG PRO 93 2HG PRO 93 -9.047 -1.484 -6.575 785 1HD PRO 93 1HD PRO 93 -6.688 -0.505 -5.010 786 2HD PRO 93 2HD PRO 93 -8.302 -0.979 -4.440 787 H TYR 94 H TYR 94 -4.674 -2.521 -5.406 788 HA TYR 94 HA TYR 94 -3.030 -4.174 -7.056 789 1HB TYR 94 1HB TYR 94 -2.481 -2.203 -4.862 790 2HB TYR 94 2HB TYR 94 -1.192 -3.261 -5.429 791 HD1 TYR 94 HD2 TYR 94 -3.401 -0.456 -6.334 792 HD2 TYR 94 HD1 TYR 94 -0.259 -3.014 -7.643 793 HE1 TYR 94 HE2 TYR 94 -2.944 1.067 -8.199 794 HE2 TYR 94 HE1 TYR 94 0.196 -1.500 -9.520 795 HH TYR 94 HH TYR 94 -1.061 1.625 -9.715 796 H GLU 95 H GLU 95 -4.294 -4.460 -3.806 797 HA GLU 95 HA GLU 95 -2.681 -6.532 -2.839 798 1HB GLU 95 1HB GLU 95 -4.351 -5.450 -1.430 799 2HB GLU 95 2HB GLU 95 -5.649 -6.028 -2.461 800 1HG GLU 95 1HG GLU 95 -5.556 -7.307 -0.412 801 2HG GLU 95 2HG GLU 95 -5.174 -8.328 -1.795 802 H MET 96 H MET 96 -5.770 -6.759 -4.588 803 HA MET 96 HA MET 96 -5.707 -9.525 -5.063 804 1HB MET 96 1HB MET 96 -7.751 -8.199 -5.299 805 2HB MET 96 2HB MET 96 -7.054 -7.324 -6.655 806 1HG MET 96 1HG MET 96 -6.991 -9.395 -7.958 807 2HG MET 96 2HG MET 96 -7.688 -10.271 -6.597 808 1HE MET 96 1HE MET 96 -11.279 -8.731 -6.368 809 2HE MET 96 2HE MET 96 -9.846 -8.251 -5.461 810 3HE MET 96 3HE MET 96 -10.181 -9.960 -5.742 811 H TYR 97 H TYR 97 -4.411 -6.810 -6.895 812 HA TYR 97 HA TYR 97 -3.752 -8.212 -9.259 813 1HB TYR 97 1HB TYR 97 -3.936 -5.752 -9.111 814 2HB TYR 97 2HB TYR 97 -2.514 -5.705 -8.081 815 HD1 TYR 97 HD2 TYR 97 -3.402 -7.222 -11.401 816 HD2 TYR 97 HD1 TYR 97 -0.627 -4.909 -9.144 817 HE1 TYR 97 HE2 TYR 97 -1.994 -6.968 -13.399 818 HE2 TYR 97 HE1 TYR 97 0.786 -4.647 -11.137 819 HH TYR 97 HH TYR 97 -0.291 -5.395 -14.258 820 H GLN 98 H GLN 98 -1.535 -7.000 -6.754 821 HA GLN 98 HA GLN 98 0.746 -8.347 -7.646 822 1HB GLN 98 1HB GLN 98 0.544 -6.384 -6.001 823 2HB GLN 98 2HB GLN 98 0.191 -7.581 -4.769 824 1HG GLN 98 1HG GLN 98 2.738 -7.424 -6.378 825 2HG GLN 98 2HG GLN 98 2.528 -6.829 -4.736 826 1HE2 GLN 98 2HE2 GLN 98 2.180 -8.378 -3.054 827 2HE2 GLN 98 1HE2 GLN 98 2.736 -10.004 -3.232 828 H SER 99 H SER 99 -1.394 -9.144 -4.883 829 HA SER 99 HA SER 99 -0.073 -11.566 -4.288 830 1HB SER 99 1HB SER 99 -2.892 -10.709 -3.572 831 2HB SER 99 2HB SER 99 -1.976 -12.004 -2.798 832 HG SER 99 HG SER 99 -1.971 -9.821 -1.778 833 H GLY 100 H GLY 100 -2.970 -10.836 -6.217 834 1HA GLY 100 1HA GLY 100 -3.754 -13.493 -6.722 835 2HA GLY 100 2HA GLY 100 -4.135 -12.107 -7.733 836 H ALA 101 H ALA 101 -1.257 -11.509 -8.142 837 HA ALA 101 HA ALA 101 -0.772 -13.334 -10.330 838 1HB ALA 101 1HB ALA 101 0.902 -11.031 -9.327 839 2HB ALA 101 2HB ALA 101 -0.347 -10.931 -10.570 840 3HB ALA 101 3HB ALA 101 1.110 -11.883 -10.858 841 H ASN 102 H ASN 102 0.749 -12.604 -7.206 842 HA ASN 102 HA ASN 102 2.873 -14.542 -7.776 843 1HB ASN 102 1HB ASN 102 3.393 -12.213 -6.931 844 2HB ASN 102 2HB ASN 102 2.691 -12.693 -5.390 845 1HD2 ASN 102 2HD2 ASN 102 5.353 -13.107 -7.587 846 2HD2 ASN 102 1HD2 ASN 102 6.397 -13.940 -6.485 847 H LEU 103 H LEU 103 0.696 -13.784 -5.026 848 HA LEU 103 HA LEU 103 0.090 -16.525 -4.546 849 1HB LEU 103 1HB LEU 103 1.219 -16.952 -2.520 850 2HB LEU 103 2HB LEU 103 2.444 -16.313 -3.596 851 HG LEU 103 HG LEU 103 1.072 -14.741 -1.397 852 1HD1 LEU 103 1HD1 LEU 103 3.851 -15.914 -1.508 853 2HD1 LEU 103 2HD1 LEU 103 2.521 -16.468 -0.488 854 3HD1 LEU 103 3HD1 LEU 103 3.218 -14.869 -0.234 855 1HD2 LEU 103 1HD2 LEU 103 1.785 -13.317 -3.261 856 2HD2 LEU 103 2HD2 LEU 103 3.413 -13.985 -3.152 857 3HD2 LEU 103 3HD2 LEU 103 2.761 -13.031 -1.821 858 H VAL 104 H VAL 104 -1.840 -16.626 -3.466 859 HA VAL 104 HA VAL 104 -2.668 -14.293 -1.909 860 HB VAL 104 HB VAL 104 -3.457 -13.801 -4.154 861 1HG1 VAL 104 1HG1 VAL 104 -4.964 -16.417 -4.032 862 2HG1 VAL 104 2HG1 VAL 104 -3.581 -16.058 -5.066 863 3HG1 VAL 104 3HG1 VAL 104 -5.104 -15.201 -5.304 864 1HG2 VAL 104 1HG2 VAL 104 -5.717 -14.602 -2.314 865 2HG2 VAL 104 2HG2 VAL 104 -5.841 -13.477 -3.667 866 3HG2 VAL 104 3HG2 VAL 104 -4.832 -13.077 -2.278 867 H CYS 105 H CYS 105 -3.075 -15.129 -0.008 868 HA CYS 105 HA CYS 105 -4.528 -17.675 0.235 869 1HB CYS 105 1HB CYS 105 -3.823 -17.427 2.679 870 2HB CYS 105 2HB CYS 105 -2.526 -17.689 1.515 871 HG CYS 105 HG CYS 105 -1.167 -15.800 2.597 872 H ASN 106 H ASN 106 -4.782 -14.286 0.682 873 HA ASN 106 HA ASN 106 -7.148 -14.401 2.382 874 1HB ASN 106 1HB ASN 106 -6.985 -11.906 2.294 875 2HB ASN 106 2HB ASN 106 -5.517 -12.676 2.887 876 1HD2 ASN 106 2HD2 ASN 106 -5.925 -10.045 1.627 877 2HD2 ASN 106 1HD2 ASN 106 -4.845 -10.014 0.277 878 H THR 107 H THR 107 -7.108 -15.397 -0.439 879 HA THR 107 HA THR 107 -8.181 -13.632 -2.276 880 HB THR 107 HB THR 107 -7.304 -15.789 -2.953 881 HG1 THR 107 HG1 THR 107 -9.506 -14.704 -3.876 882 1HG2 THR 107 1HG2 THR 107 -8.058 -17.153 -1.066 883 2HG2 THR 107 2HG2 THR 107 -8.565 -17.869 -2.596 884 3HG2 THR 107 3HG2 THR 107 -9.730 -16.992 -1.606 885 H ARG 108 H ARG 108 -9.918 -15.595 0.144 886 HA ARG 108 HA ARG 108 -12.472 -14.869 -1.011 887 1HB ARG 108 1HB ARG 108 -12.124 -17.114 0.010 888 2HB ARG 108 2HB ARG 108 -11.955 -16.342 1.582 889 1HG ARG 108 1HG ARG 108 -14.310 -15.314 0.961 890 2HG ARG 108 2HG ARG 108 -14.391 -16.721 -0.099 891 1HD ARG 108 1HD ARG 108 -15.427 -17.254 2.013 892 2HD ARG 108 2HD ARG 108 -13.927 -18.168 1.861 893 HE ARG 108 HE ARG 108 -13.019 -16.965 3.609 894 1HH1 ARG 108 1HH1 ARG 108 -16.052 -15.499 2.642 895 2HH1 ARG 108 2HH1 ARG 108 -16.153 -14.473 4.039 896 1HH2 ARG 108 1HH2 ARG 108 -13.150 -15.617 5.457 897 2HH2 ARG 108 2HH2 ARG 108 -14.508 -14.555 5.645 898 HA PRO 109 HA PRO 109 -13.016 -12.600 3.236 899 1HB PRO 109 1HB PRO 109 -10.765 -11.866 4.592 900 2HB PRO 109 2HB PRO 109 -11.608 -13.396 4.864 901 1HG PRO 109 1HG PRO 109 -9.191 -12.845 3.171 902 2HG PRO 109 2HG PRO 109 -9.466 -14.162 4.329 903 1HD PRO 109 1HD PRO 109 -9.758 -14.542 1.688 904 2HD PRO 109 2HD PRO 109 -10.830 -15.340 2.858 905 H PHE 110 H PHE 110 -11.232 -11.852 0.601 906 HA PHE 110 HA PHE 110 -10.405 -9.238 0.811 907 1HB PHE 110 1HB PHE 110 -10.340 -10.819 -1.214 908 2HB PHE 110 2HB PHE 110 -11.988 -10.301 -1.543 909 HD1 PHE 110 HD1 PHE 110 -12.378 -7.769 -1.877 910 HD2 PHE 110 HD2 PHE 110 -8.540 -9.611 -2.019 911 HE1 PHE 110 HE1 PHE 110 -11.506 -5.846 -3.141 912 HE2 PHE 110 HE2 PHE 110 -7.660 -7.686 -3.276 913 HZ PHE 110 HZ PHE 110 -9.144 -5.801 -3.840 914 H ASP 111 H ASP 111 -13.685 -10.420 0.035 915 HA ASP 111 HA ASP 111 -14.870 -7.822 0.078 916 1HB ASP 111 1HB ASP 111 -16.919 -8.874 -0.331 917 2HB ASP 111 2HB ASP 111 -15.774 -10.002 -1.044 918 H ASN 112 H ASN 112 -14.380 -10.388 2.396 919 HA ASN 112 HA ASN 112 -16.032 -9.490 4.472 920 1HB ASN 112 1HB ASN 112 -14.916 -11.732 4.350 921 2HB ASN 112 2HB ASN 112 -13.391 -10.952 4.755 922 1HD2 ASN 112 2HD2 ASN 112 -16.482 -11.988 5.918 923 2HD2 ASN 112 1HD2 ASN 112 -16.158 -11.754 7.602 924 H GLU 113 H GLU 113 -12.840 -8.478 3.446 925 HA GLU 113 HA GLU 113 -12.389 -6.834 5.786 926 1HB GLU 113 1HB GLU 113 -10.564 -7.969 4.404 927 2HB GLU 113 2HB GLU 113 -10.856 -6.739 3.181 928 1HG GLU 113 1HG GLU 113 -8.968 -6.105 4.536 929 2HG GLU 113 2HG GLU 113 -10.305 -4.994 4.839 930 H GLU 114 H GLU 114 -13.201 -6.369 2.375 931 HA GLU 114 HA GLU 114 -13.444 -3.564 2.408 932 1HB GLU 114 1HB GLU 114 -13.379 -4.898 0.338 933 2HB GLU 114 2HB GLU 114 -14.938 -5.605 0.734 934 1HG GLU 114 1HG GLU 114 -16.010 -3.436 0.513 935 2HG GLU 114 2HG GLU 114 -14.448 -2.678 0.200 936 H LYS 115 H LYS 115 -15.472 -6.104 3.552 937 HA LYS 115 HA LYS 115 -17.642 -4.229 4.242 938 1HB LYS 115 1HB LYS 115 -17.645 -7.241 3.894 939 2HB LYS 115 2HB LYS 115 -19.029 -6.309 4.453 940 1HG LYS 115 1HG LYS 115 -19.426 -5.389 2.373 941 2HG LYS 115 2HG LYS 115 -17.756 -5.603 1.842 942 1HD LYS 115 1HD LYS 115 -19.338 -7.135 0.704 943 2HD LYS 115 2HD LYS 115 -18.081 -7.984 1.603 944 1HE LYS 115 1HE LYS 115 -19.689 -8.319 3.460 945 2HE LYS 115 2HE LYS 115 -20.938 -7.546 2.485 946 1HZ LYS 115 1HZ LYS 115 -20.648 -9.290 0.823 947 2HZ LYS 115 2HZ LYS 115 -21.082 -9.941 2.321 948 3HZ LYS 115 3HZ LYS 115 -19.478 -10.039 1.791 949 H ASP 116 H ASP 116 -15.015 -4.893 5.651 950 HA ASP 116 HA ASP 116 -15.557 -6.369 7.993 951 1HB ASP 116 1HB ASP 116 -13.269 -5.892 7.307 952 2HB ASP 116 2HB ASP 116 -13.539 -4.163 7.494 953 H LYS 117 H LYS 117 -16.322 -3.151 7.046 954 HA LYS 117 HA LYS 117 -16.828 -2.129 9.672 955 1HB LYS 117 1HB LYS 117 -16.224 -0.682 7.753 956 2HB LYS 117 2HB LYS 117 -17.754 -1.083 6.985 957 1HG LYS 117 1HG LYS 117 -18.992 0.031 8.712 958 2HG LYS 117 2HG LYS 117 -17.531 0.270 9.673 959 1HD LYS 117 1HD LYS 117 -18.096 1.492 6.962 960 2HD LYS 117 2HD LYS 117 -18.170 2.330 8.513 961 1HE LYS 117 1HE LYS 117 -15.787 1.941 8.860 962 2HE LYS 117 2HE LYS 117 -15.695 1.045 7.344 963 1HZ LYS 117 1HZ LYS 117 -16.412 3.914 7.604 964 2HZ LYS 117 2HZ LYS 117 -16.280 3.052 6.153 965 3HZ LYS 117 3HZ LYS 117 -14.910 3.317 7.109
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