NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
8463 | 1m9g | 5529 | cing | recoord | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1H MET 1 -12.054 -5.294 -12.483 2 2H MET 1 2H MET 1 -10.496 -4.755 -12.462 3 3H MET 1 3H MET 1 -11.689 -3.861 -11.761 4 HA MET 1 HA MET 1 -12.746 -3.498 -13.836 5 1HB MET 1 2HB MET 1 -10.285 -2.343 -12.981 6 2HB MET 1 3HB MET 1 -10.075 -2.666 -14.699 7 1HG MET 1 2HG MET 1 -10.916 -0.543 -14.681 8 2HG MET 1 3HG MET 1 -12.371 -1.472 -15.016 9 1HE MET 1 1HE MET 1 -14.373 -1.707 -13.227 10 2HE MET 1 2HE MET 1 -13.328 -2.399 -11.953 11 3HE MET 1 3HE MET 1 -14.331 -0.987 -11.603 12 H GLY 2 H GLY 2 -9.644 -5.247 -14.318 13 1HA GLY 2 2HA GLY 2 -10.717 -7.179 -16.058 14 2HA GLY 2 3HA GLY 2 -10.122 -5.853 -17.076 15 H GLU 3 H GLU 3 -7.899 -4.958 -15.946 16 HA GLU 3 HA GLU 3 -6.035 -7.274 -15.600 17 1HB GLU 3 2HB GLU 3 -6.292 -5.917 -17.954 18 2HB GLU 3 3HB GLU 3 -5.128 -4.864 -17.150 19 1HG GLU 3 2HG GLU 3 -3.601 -6.844 -16.887 20 2HG GLU 3 3HG GLU 3 -4.867 -7.898 -17.532 21 H TRP 4 H TRP 4 -3.762 -5.673 -15.331 22 HA TRP 4 HA TRP 4 -4.109 -4.753 -12.583 23 1HB TRP 4 2HB TRP 4 -1.655 -4.793 -14.375 24 2HB TRP 4 3HB TRP 4 -1.705 -4.342 -12.694 25 HD1 TRP 4 HD TRP 4 -2.866 -7.571 -14.576 26 HE1 TRP 4 1HE TRP 4 -2.034 -9.579 -13.264 27 HE3 TRP 4 3HE TRP 4 -0.602 -5.110 -10.732 28 HZ2 TRP 4 2HZ TRP 4 -0.569 -10.081 -10.791 29 HZ3 TRP 4 3HZ TRP 4 0.349 -6.358 -8.818 30 HH2 TRP 4 HH TRP 4 0.432 -8.852 -8.866 31 H GLU 5 H GLU 5 -3.186 -2.562 -11.965 32 HA GLU 5 HA GLU 5 -3.033 -0.565 -14.038 33 1HB GLU 5 2HB GLU 5 -5.566 -1.004 -13.498 34 2HB GLU 5 3HB GLU 5 -5.277 -0.056 -12.049 35 1HG GLU 5 2HG GLU 5 -5.275 1.900 -13.269 36 2HG GLU 5 3HG GLU 5 -4.291 1.211 -14.573 37 H ILE 6 H ILE 6 -3.022 1.675 -12.906 38 HA ILE 6 HA ILE 6 -0.711 1.552 -11.198 39 HB ILE 6 HB ILE 6 -0.830 4.012 -11.147 40 1HG1 ILE 6 2HG1 ILE 6 -3.276 3.785 -12.962 41 2HG1 ILE 6 3HG1 ILE 6 -3.358 4.188 -11.241 42 1HG2 ILE 6 1HG2 ILE 6 0.311 2.745 -12.956 43 2HG2 ILE 6 2HG2 ILE 6 -1.161 2.839 -13.943 44 3HG2 ILE 6 3HG2 ILE 6 -0.277 4.314 -13.505 45 1HD1 ILE 6 1HD1 ILE 6 -1.893 6.160 -11.631 46 2HD1 ILE 6 2HD1 ILE 6 -1.948 5.826 -13.379 47 3HD1 ILE 6 3HD1 ILE 6 -3.434 6.226 -12.508 48 H ILE 7 H ILE 7 -0.431 2.322 -9.087 49 HA ILE 7 HA ILE 7 -2.723 1.832 -7.311 50 HB ILE 7 HB ILE 7 -0.469 0.764 -7.073 51 1HG1 ILE 7 2HG1 ILE 7 -0.976 2.347 -4.555 52 2HG1 ILE 7 3HG1 ILE 7 -2.187 1.194 -5.159 53 1HG2 ILE 7 1HG2 ILE 7 0.865 2.849 -7.640 54 2HG2 ILE 7 2HG2 ILE 7 0.439 3.491 -6.044 55 3HG2 ILE 7 3HG2 ILE 7 1.390 2.013 -6.180 56 1HD1 ILE 7 1HD1 ILE 7 -0.462 -0.601 -5.157 57 2HD1 ILE 7 2HD1 ILE 7 0.669 0.551 -4.402 58 3HD1 ILE 7 3HD1 ILE 7 -0.809 0.077 -3.554 59 H ASP 8 H ASP 8 -3.564 3.434 -5.894 60 HA ASP 8 HA ASP 8 -3.255 6.179 -6.777 61 1HB ASP 8 2HB ASP 8 -4.781 4.921 -4.479 62 2HB ASP 8 3HB ASP 8 -4.814 6.647 -4.859 63 H ILE 9 H ILE 9 -1.993 7.740 -5.957 64 HA ILE 9 HA ILE 9 -0.056 7.089 -3.828 65 HB ILE 9 HB ILE 9 -0.265 9.414 -5.777 66 1HG1 ILE 9 2HG1 ILE 9 0.126 7.336 -6.995 67 2HG1 ILE 9 3HG1 ILE 9 1.574 8.324 -6.995 68 1HG2 ILE 9 1HG2 ILE 9 1.105 10.264 -4.049 69 2HG2 ILE 9 2HG2 ILE 9 1.945 8.707 -3.818 70 3HG2 ILE 9 3HG2 ILE 9 2.223 9.685 -5.268 71 1HD1 ILE 9 1HD1 ILE 9 2.512 6.902 -5.135 72 2HD1 ILE 9 2HD1 ILE 9 1.076 5.858 -5.266 73 3HD1 ILE 9 3HD1 ILE 9 2.184 6.015 -6.631 74 H GLY 10 H GLY 10 0.491 9.157 -2.406 75 1HA GLY 10 2HA GLY 10 -0.191 10.651 -0.811 76 2HA GLY 10 3HA GLY 10 -1.713 10.841 -1.677 77 HA PRO 11 HA PRO 11 -2.786 8.700 2.237 78 1HB PRO 11 2HB PRO 11 -5.391 9.400 2.468 79 2HB PRO 11 3HB PRO 11 -4.096 10.619 2.578 80 1HG PRO 11 2HG PRO 11 -5.714 9.897 0.112 81 2HG PRO 11 3HG PRO 11 -5.482 11.523 0.818 82 1HD PRO 11 2HD PRO 11 -3.927 10.587 -1.219 83 2HD PRO 11 3HD PRO 11 -3.231 11.615 0.073 84 H PHE 12 H PHE 12 -2.291 6.916 0.359 85 HA PHE 12 HA PHE 12 -4.444 4.984 0.564 86 1HB PHE 12 2HB PHE 12 -4.952 6.503 -1.442 87 2HB PHE 12 3HB PHE 12 -3.562 5.797 -2.221 88 HD1 PHE 12 1HD PHE 12 -3.564 3.111 -2.348 89 HD2 PHE 12 2HD PHE 12 -7.062 5.530 -1.579 90 HE1 PHE 12 1HE PHE 12 -5.019 1.161 -2.764 91 HE2 PHE 12 2HE PHE 12 -8.510 3.613 -2.174 92 HZ PHE 12 HZ PHE 12 -7.504 1.414 -2.713 93 H THR 13 H THR 13 -1.523 5.491 -1.568 94 HA THR 13 HA THR 13 -0.517 2.885 -1.135 95 HB THR 13 HB THR 13 0.200 4.393 -2.948 96 HG1 THR 13 1HG THR 13 2.288 3.403 -1.320 97 1HG2 THR 13 1HG2 THR 13 0.512 6.512 -1.587 98 2HG2 THR 13 2HG2 THR 13 2.006 5.803 -0.935 99 3HG2 THR 13 3HG2 THR 13 1.859 6.100 -2.665 100 H GLN 14 H GLN 14 0.122 5.958 0.570 101 HA GLN 14 HA GLN 14 1.953 4.827 2.471 102 1HB GLN 14 2HB GLN 14 0.849 7.432 1.911 103 2HB GLN 14 3HB GLN 14 0.543 7.075 3.609 104 1HG GLN 14 2HG GLN 14 2.943 6.459 3.910 105 2HG GLN 14 3HG GLN 14 3.259 6.931 2.232 106 1HE2 GLN 14 2HE2 GLN 14 2.249 9.301 1.747 107 2HE2 GLN 14 1HE2 GLN 14 2.696 10.478 2.971 108 H ASN 15 H ASN 15 -1.561 5.302 2.426 109 HA ASN 15 HA ASN 15 -2.090 4.556 5.095 110 1HB ASN 15 2HB ASN 15 -3.661 5.543 3.291 111 2HB ASN 15 3HB ASN 15 -3.948 3.883 2.779 112 1HD2 ASN 15 2HD2 ASN 15 -5.528 2.712 3.924 113 2HD2 ASN 15 1HD2 ASN 15 -6.183 3.257 5.460 114 H LEU 16 H LEU 16 -1.907 2.583 2.135 115 HA LEU 16 HA LEU 16 -2.373 0.031 3.395 116 1HB LEU 16 2HB LEU 16 -1.447 1.056 0.742 117 2HB LEU 16 3HB LEU 16 -0.743 -0.485 1.192 118 HG LEU 16 HG LEU 16 -3.763 -0.026 1.222 119 1HD1 LEU 16 1HD1 LEU 16 -2.919 0.289 -1.050 120 2HD1 LEU 16 2HD1 LEU 16 -2.024 -1.245 -0.942 121 3HD1 LEU 16 3HD1 LEU 16 -3.800 -1.239 -0.869 122 1HD2 LEU 16 1HD2 LEU 16 -2.140 -2.596 1.089 123 2HD2 LEU 16 2HD2 LEU 16 -2.737 -1.948 2.627 124 3HD2 LEU 16 3HD2 LEU 16 -3.880 -2.390 1.364 125 H ALA 17 H ALA 17 0.674 1.762 2.591 126 HA ALA 17 HA ALA 17 2.437 -0.195 3.600 127 1HB ALA 17 1HB ALA 17 3.134 1.810 2.338 128 2HB ALA 17 2HB ALA 17 2.725 2.836 3.729 129 3HB ALA 17 3HB ALA 17 4.031 1.644 3.863 130 H LYS 18 H LYS 18 0.817 2.515 5.340 131 HA LYS 18 HA LYS 18 1.921 1.826 7.833 132 1HB LYS 18 2HB LYS 18 0.078 3.817 6.876 133 2HB LYS 18 3HB LYS 18 -0.703 3.020 8.232 134 1HG LYS 18 2HG LYS 18 2.034 4.342 8.240 135 2HG LYS 18 3HG LYS 18 0.550 4.922 9.008 136 1HD LYS 18 2HD LYS 18 0.580 2.765 10.432 137 2HD LYS 18 3HD LYS 18 2.208 2.478 9.819 138 1HE LYS 18 2HE LYS 18 2.718 4.938 10.571 139 2HE LYS 18 3HE LYS 18 1.242 4.776 11.539 140 1HZ LYS 18 1HZ LYS 18 2.256 2.827 12.549 141 2HZ LYS 18 2HZ LYS 18 3.624 3.060 11.659 142 3HZ LYS 18 3HZ LYS 18 3.169 4.180 12.775 143 H PHE 19 H PHE 19 -1.221 0.940 6.375 144 HA PHE 19 HA PHE 19 -2.369 -0.557 8.416 145 1HB PHE 19 2HB PHE 19 -3.406 -0.162 6.182 146 2HB PHE 19 3HB PHE 19 -2.329 -1.350 5.473 147 HD1 PHE 19 1HD PHE 19 -2.523 -3.794 6.059 148 HD2 PHE 19 2HD PHE 19 -5.362 -0.878 7.491 149 HE1 PHE 19 1HE PHE 19 -4.073 -5.612 6.713 150 HE2 PHE 19 2HE PHE 19 -6.936 -2.704 8.063 151 HZ PHE 19 HZ PHE 19 -6.313 -5.081 7.666 152 H ALA 20 H ALA 20 -0.001 -1.660 5.967 153 HA ALA 20 HA ALA 20 0.335 -4.281 6.827 154 1HB ALA 20 1HB ALA 20 2.528 -4.274 5.819 155 2HB ALA 20 2HB ALA 20 1.547 -3.161 4.852 156 3HB ALA 20 3HB ALA 20 2.712 -2.533 6.011 157 H VAL 21 H VAL 21 2.319 -1.505 7.976 158 HA VAL 21 HA VAL 21 3.763 -3.036 9.876 159 HB VAL 21 HB VAL 21 3.177 -0.045 9.794 160 1HG1 VAL 21 1HG1 VAL 21 4.043 -0.597 11.993 161 2HG1 VAL 21 2HG1 VAL 21 5.253 -1.692 11.310 162 3HG1 VAL 21 3HG1 VAL 21 5.396 0.062 11.062 163 1HG2 VAL 21 1HG2 VAL 21 5.463 -1.666 8.610 164 2HG2 VAL 21 2HG2 VAL 21 4.237 -0.782 7.705 165 3HG2 VAL 21 3HG2 VAL 21 5.393 0.108 8.687 166 H ASP 22 H ASP 22 1.007 -0.828 10.325 167 HA ASP 22 HA ASP 22 0.617 -0.998 13.108 168 1HB ASP 22 2HB ASP 22 -0.493 0.656 11.727 169 2HB ASP 22 3HB ASP 22 -1.342 -0.596 10.811 170 H GLU 23 H GLU 23 -1.213 -2.834 10.602 171 HA GLU 23 HA GLU 23 -2.577 -4.354 12.548 172 1HB GLU 23 2HB GLU 23 -2.867 -3.869 9.872 173 2HB GLU 23 3HB GLU 23 -2.283 -5.528 9.821 174 1HG GLU 23 2HG GLU 23 -4.643 -4.374 11.391 175 2HG GLU 23 3HG GLU 23 -4.758 -5.234 9.851 176 H GLU 24 H GLU 24 0.362 -5.061 10.577 177 HA GLU 24 HA GLU 24 0.745 -7.705 11.469 178 1HB GLU 24 2HB GLU 24 1.984 -6.514 9.639 179 2HB GLU 24 3HB GLU 24 2.975 -5.707 10.876 180 1HG GLU 24 2HG GLU 24 2.634 -8.695 10.384 181 2HG GLU 24 3HG GLU 24 4.004 -7.718 9.814 182 H ASN 25 H ASN 25 1.781 -4.587 12.996 183 HA ASN 25 HA ASN 25 3.089 -5.850 15.219 184 1HB ASN 25 2HB ASN 25 2.351 -3.101 14.423 185 2HB ASN 25 3HB ASN 25 2.056 -3.377 16.126 186 1HD2 ASN 25 2HD2 ASN 25 4.606 -4.355 13.753 187 2HD2 ASN 25 1HD2 ASN 25 5.941 -3.900 14.810 188 H LYS 26 H LYS 26 -0.243 -4.647 14.770 189 HA LYS 26 HA LYS 26 -1.177 -5.070 17.388 190 1HB LYS 26 2HB LYS 26 -2.336 -3.718 15.832 191 2HB LYS 26 3HB LYS 26 -2.528 -5.030 14.682 192 1HG LYS 26 2HG LYS 26 -3.798 -5.432 17.382 193 2HG LYS 26 3HG LYS 26 -4.472 -4.172 16.332 194 1HD LYS 26 2HD LYS 26 -4.602 -5.813 14.453 195 2HD LYS 26 3HD LYS 26 -4.133 -7.105 15.572 196 1HE LYS 26 2HE LYS 26 -6.164 -6.717 16.899 197 2HE LYS 26 3HE LYS 26 -6.572 -5.298 15.912 198 1HZ LYS 26 1HZ LYS 26 -6.733 -6.749 14.012 199 2HZ LYS 26 2HZ LYS 26 -6.441 -8.065 14.955 200 3HZ LYS 26 3HZ LYS 26 -7.805 -7.170 15.194 201 H ILE 27 H ILE 27 -1.058 -7.352 14.628 202 HA ILE 27 HA ILE 27 -2.168 -9.535 16.272 203 HB ILE 27 HB ILE 27 -0.969 -9.427 13.488 204 1HG1 ILE 27 2HG1 ILE 27 -3.157 -8.311 13.720 205 2HG1 ILE 27 3HG1 ILE 27 -3.206 -9.733 12.678 206 1HG2 ILE 27 1HG2 ILE 27 -0.512 -11.619 14.276 207 2HG2 ILE 27 2HG2 ILE 27 -2.121 -11.799 14.996 208 3HG2 ILE 27 3HG2 ILE 27 -1.929 -11.736 13.226 209 1HD1 ILE 27 1HD1 ILE 27 -4.256 -11.048 14.516 210 2HD1 ILE 27 2HD1 ILE 27 -4.254 -9.595 15.542 211 3HD1 ILE 27 3HD1 ILE 27 -5.199 -9.630 14.050 212 H GLY 28 H GLY 28 1.044 -8.769 14.912 213 1HA GLY 28 2HA GLY 28 3.152 -9.357 15.623 214 2HA GLY 28 3HA GLY 28 2.463 -10.196 17.022 215 H GLN 29 H GLN 29 2.323 -10.514 13.424 216 HA GLN 29 HA GLN 29 2.185 -13.438 13.730 217 1HB GLN 29 2HB GLN 29 0.782 -11.797 12.094 218 2HB GLN 29 3HB GLN 29 2.161 -12.107 11.042 219 1HG GLN 29 2HG GLN 29 0.749 -13.823 10.426 220 2HG GLN 29 3HG GLN 29 1.675 -14.665 11.671 221 1HE2 GLN 29 2HE2 GLN 29 0.487 -13.918 14.088 222 2HE2 GLN 29 1HE2 GLN 29 -1.224 -14.228 14.027 223 H TYR 30 H TYR 30 4.358 -11.136 12.175 224 HA TYR 30 HA TYR 30 6.421 -13.307 12.018 225 1HB TYR 30 2HB TYR 30 6.862 -11.333 9.968 226 2HB TYR 30 3HB TYR 30 6.746 -13.073 9.847 227 HD1 TYR 30 1HD TYR 30 4.923 -9.874 9.591 228 HD2 TYR 30 2HD TYR 30 4.630 -14.151 9.177 229 HE1 TYR 30 1HE TYR 30 2.789 -9.622 8.311 230 HE2 TYR 30 2HE TYR 30 2.508 -13.894 7.928 231 HH TYR 30 HH TYR 30 1.031 -12.373 6.941 232 H GLY 31 H GLY 31 5.786 -9.819 12.103 233 1HA GLY 31 2HA GLY 31 6.682 -8.497 13.913 234 2HA GLY 31 3HA GLY 31 8.170 -9.445 13.893 235 H ARG 32 H ARG 32 6.476 -6.778 12.520 236 HA ARG 32 HA ARG 32 7.977 -6.474 10.166 237 1HB ARG 32 2HB ARG 32 5.869 -5.236 10.895 238 2HB ARG 32 3HB ARG 32 6.910 -4.105 11.769 239 1HG ARG 32 2HG ARG 32 7.583 -4.711 8.894 240 2HG ARG 32 3HG ARG 32 6.081 -3.853 9.188 241 1HD ARG 32 2HD ARG 32 7.194 -2.041 10.256 242 2HD ARG 32 3HD ARG 32 8.753 -2.841 10.264 243 HE ARG 32 HE ARG 32 8.243 -2.866 7.620 244 1HH1 ARG 32 1HH2 ARG 32 7.910 -0.210 9.938 245 2HH1 ARG 32 2HH2 ARG 32 8.041 1.039 8.739 246 1HH2 ARG 32 1HH1 ARG 32 8.498 -1.251 6.057 247 2HH2 ARG 32 2HH1 ARG 32 8.445 0.433 6.498 248 H LEU 33 H LEU 33 9.654 -4.976 9.645 249 HA LEU 33 HA LEU 33 11.933 -5.088 11.470 250 1HB LEU 33 2HB LEU 33 11.676 -3.948 8.680 251 2HB LEU 33 3HB LEU 33 13.172 -4.304 9.542 252 HG LEU 33 HG LEU 33 12.811 -5.936 7.878 253 1HD1 LEU 33 1HD1 LEU 33 13.837 -6.669 10.010 254 2HD1 LEU 33 2HD1 LEU 33 12.250 -7.296 10.522 255 3HD1 LEU 33 3HD1 LEU 33 13.055 -7.977 9.092 256 1HD2 LEU 33 1HD2 LEU 33 10.310 -7.076 9.094 257 2HD2 LEU 33 2HD2 LEU 33 10.267 -5.826 7.830 258 3HD2 LEU 33 3HD2 LEU 33 11.057 -7.380 7.526 259 H THR 34 H THR 34 12.612 -2.331 9.851 260 HA THR 34 HA THR 34 11.116 -0.522 11.708 261 HB THR 34 HB THR 34 14.120 -0.781 11.636 262 HG1 THR 34 1HG THR 34 12.123 -1.847 13.181 263 1HG2 THR 34 1HG2 THR 34 13.492 1.575 11.953 264 2HG2 THR 34 2HG2 THR 34 12.321 1.116 13.214 265 3HG2 THR 34 3HG2 THR 34 14.061 0.884 13.479 266 H PHE 35 H PHE 35 10.230 0.877 10.431 267 HA PHE 35 HA PHE 35 9.970 1.696 8.153 268 1HB PHE 35 2HB PHE 35 10.686 3.474 10.420 269 2HB PHE 35 3HB PHE 35 10.695 4.219 8.838 270 HD1 PHE 35 1HD PHE 35 8.500 3.035 11.476 271 HD2 PHE 35 2HD PHE 35 8.731 4.060 7.288 272 HE1 PHE 35 1HE PHE 35 6.034 3.239 11.380 273 HE2 PHE 35 2HE PHE 35 6.264 4.250 7.201 274 HZ PHE 35 HZ PHE 35 4.909 3.839 9.241 275 H ASN 36 H ASN 36 11.393 0.537 6.908 276 HA ASN 36 HA ASN 36 14.019 1.632 6.398 277 1HB ASN 36 2HB ASN 36 12.982 -0.579 4.695 278 2HB ASN 36 3HB ASN 36 14.528 -0.356 5.469 279 1HD2 ASN 36 2HD2 ASN 36 11.077 -1.226 6.122 280 2HD2 ASN 36 1HD2 ASN 36 11.410 -2.168 7.555 281 H LYS 37 H LYS 37 11.742 0.594 3.749 282 HA LYS 37 HA LYS 37 10.844 3.094 2.933 283 1HB LYS 37 2HB LYS 37 12.277 3.532 0.941 284 2HB LYS 37 3HB LYS 37 13.126 3.767 2.439 285 1HG LYS 37 2HG LYS 37 13.773 1.161 1.996 286 2HG LYS 37 3HG LYS 37 13.490 1.682 0.330 287 1HD LYS 37 2HD LYS 37 15.782 2.126 0.611 288 2HD LYS 37 3HD LYS 37 15.065 3.703 0.980 289 1HE LYS 37 2HE LYS 37 15.125 3.020 3.454 290 2HE LYS 37 3HE LYS 37 16.003 1.562 2.966 291 1HZ LYS 37 1HZ LYS 37 17.695 3.031 2.061 292 2HZ LYS 37 2HZ LYS 37 16.859 4.343 2.612 293 3HZ LYS 37 3HZ LYS 37 17.469 3.250 3.680 294 H VAL 38 H VAL 38 10.449 2.780 0.290 295 HA VAL 38 HA VAL 38 9.620 -0.002 -0.266 296 HB VAL 38 HB VAL 38 7.708 1.203 0.610 297 1HG1 VAL 38 1HG1 VAL 38 8.272 3.505 0.381 298 2HG1 VAL 38 2HG1 VAL 38 8.356 3.378 -1.384 299 3HG1 VAL 38 3HG1 VAL 38 6.796 3.240 -0.550 300 1HG2 VAL 38 1HG2 VAL 38 7.480 1.052 -2.435 301 2HG2 VAL 38 2HG2 VAL 38 7.255 -0.302 -1.307 302 3HG2 VAL 38 3HG2 VAL 38 6.134 1.058 -1.285 303 H ILE 39 H ILE 39 9.761 -0.492 -2.539 304 HA ILE 39 HA ILE 39 11.850 0.929 -3.858 305 HB ILE 39 HB ILE 39 11.182 -0.335 -5.898 306 1HG1 ILE 39 2HG1 ILE 39 9.679 -2.427 -4.967 307 2HG1 ILE 39 3HG1 ILE 39 8.773 -1.065 -4.311 308 1HG2 ILE 39 1HG2 ILE 39 12.848 -1.126 -4.255 309 2HG2 ILE 39 2HG2 ILE 39 11.561 -1.949 -3.347 310 3HG2 ILE 39 3HG2 ILE 39 11.974 -2.468 -5.000 311 1HD1 ILE 39 1HD1 ILE 39 8.780 -0.126 -6.717 312 2HD1 ILE 39 2HD1 ILE 39 9.499 -1.667 -7.208 313 3HD1 ILE 39 3HD1 ILE 39 7.884 -1.637 -6.477 314 H ARG 40 H ARG 40 8.419 0.881 -4.654 315 HA ARG 40 HA ARG 40 6.994 2.308 -5.538 316 1HB ARG 40 2HB ARG 40 9.011 4.331 -4.637 317 2HB ARG 40 3HB ARG 40 7.832 4.831 -5.819 318 1HG ARG 40 2HG ARG 40 6.520 3.322 -3.641 319 2HG ARG 40 3HG ARG 40 7.544 4.589 -3.013 320 1HD ARG 40 2HD ARG 40 6.117 5.886 -5.114 321 2HD ARG 40 3HD ARG 40 4.957 4.796 -4.371 322 HE ARG 40 HE ARG 40 4.842 6.252 -2.627 323 1HH1 ARG 40 1HH2 ARG 40 8.034 6.559 -4.085 324 2HH1 ARG 40 2HH2 ARG 40 8.562 7.859 -3.053 325 1HH2 ARG 40 1HH1 ARG 40 5.507 7.955 -1.240 326 2HH2 ARG 40 2HH1 ARG 40 7.094 8.657 -1.399 327 HA PRO 41 HA PRO 41 5.670 3.614 -6.900 328 1HB PRO 41 2HB PRO 41 4.229 3.232 -9.179 329 2HB PRO 41 3HB PRO 41 5.268 4.658 -8.925 330 1HG PRO 41 2HG PRO 41 5.978 2.116 -10.415 331 2HG PRO 41 3HG PRO 41 6.136 3.803 -10.992 332 1HD PRO 41 2HD PRO 41 8.239 2.450 -9.878 333 2HD PRO 41 3HD PRO 41 8.007 4.195 -9.582 334 H CYS 42 H CYS 42 3.471 2.060 -7.566 335 HA CYS 42 HA CYS 42 4.186 -0.784 -7.243 336 1HB CYS 42 2HB CYS 42 2.886 0.948 -5.124 337 2HB CYS 42 3HB CYS 42 2.439 -0.757 -5.265 338 HG CYS 42 HG CYS 42 5.579 0.250 -5.333 339 H MET 43 H MET 43 1.775 -1.970 -7.119 340 HA MET 43 HA MET 43 0.121 -0.644 -9.202 341 1HB MET 43 2HB MET 43 2.135 -1.862 -10.207 342 2HB MET 43 3HB MET 43 1.417 -3.365 -9.615 343 1HG MET 43 2HG MET 43 -0.612 -2.871 -10.976 344 2HG MET 43 3HG MET 43 0.143 -1.383 -11.555 345 1HE MET 43 1HE MET 43 1.644 -1.195 -13.569 346 2HE MET 43 2HE MET 43 2.920 -1.805 -12.483 347 3HE MET 43 3HE MET 43 2.723 -2.500 -14.109 348 H LYS 44 H LYS 44 -1.935 -1.622 -9.528 349 HA LYS 44 HA LYS 44 -2.789 -3.509 -7.387 350 1HB LYS 44 2HB LYS 44 -4.829 -2.408 -7.193 351 2HB LYS 44 3HB LYS 44 -3.636 -1.103 -7.199 352 1HG LYS 44 2HG LYS 44 -4.187 -0.502 -9.478 353 2HG LYS 44 3HG LYS 44 -5.219 -1.932 -9.682 354 1HD LYS 44 2HD LYS 44 -6.654 -1.137 -7.795 355 2HD LYS 44 3HD LYS 44 -5.664 0.343 -7.751 356 1HE LYS 44 2HE LYS 44 -7.703 0.794 -8.978 357 2HE LYS 44 3HE LYS 44 -6.324 0.870 -10.082 358 1HZ LYS 44 1HZ LYS 44 -6.892 -1.343 -10.817 359 2HZ LYS 44 2HZ LYS 44 -8.136 -1.430 -9.740 360 3HZ LYS 44 3HZ LYS 44 -8.194 -0.347 -10.983 361 H LYS 45 H LYS 45 -4.843 -4.679 -8.022 362 HA LYS 45 HA LYS 45 -5.372 -5.030 -10.845 363 1HB LYS 45 2HB LYS 45 -4.524 -7.224 -11.121 364 2HB LYS 45 3HB LYS 45 -3.251 -6.354 -10.283 365 1HG LYS 45 2HG LYS 45 -3.190 -8.005 -8.754 366 2HG LYS 45 3HG LYS 45 -4.690 -7.354 -8.143 367 1HD LYS 45 2HD LYS 45 -5.532 -9.427 -8.537 368 2HD LYS 45 3HD LYS 45 -5.579 -8.952 -10.245 369 1HE LYS 45 2HE LYS 45 -3.233 -9.863 -10.476 370 2HE LYS 45 3HE LYS 45 -3.379 -10.485 -8.817 371 1HZ LYS 45 1HZ LYS 45 -5.300 -11.728 -9.559 372 2HZ LYS 45 2HZ LYS 45 -5.094 -11.178 -11.099 373 3HZ LYS 45 3HZ LYS 45 -3.949 -12.141 -10.407 374 H THR 46 H THR 46 -7.012 -7.001 -11.049 375 HA THR 46 HA THR 46 -8.629 -7.203 -8.570 376 HB THR 46 HB THR 46 -9.725 -5.880 -10.347 377 HG1 THR 46 1HG THR 46 -10.738 -7.550 -8.740 378 1HG2 THR 46 1HG2 THR 46 -8.929 -7.167 -12.352 379 2HG2 THR 46 2HG2 THR 46 -9.970 -8.520 -11.845 380 3HG2 THR 46 3HG2 THR 46 -10.696 -6.990 -12.294 381 H ILE 47 H ILE 47 -8.565 -9.127 -7.721 382 HA ILE 47 HA ILE 47 -7.432 -11.398 -9.119 383 HB ILE 47 HB ILE 47 -7.116 -11.294 -6.768 384 1HG1 ILE 47 2HG1 ILE 47 -9.164 -13.486 -7.237 385 2HG1 ILE 47 3HG1 ILE 47 -7.572 -13.530 -7.999 386 1HG2 ILE 47 1HG2 ILE 47 -9.019 -9.995 -6.043 387 2HG2 ILE 47 2HG2 ILE 47 -10.144 -11.262 -6.578 388 3HG2 ILE 47 3HG2 ILE 47 -9.065 -11.533 -5.192 389 1HD1 ILE 47 1HD1 ILE 47 -6.522 -13.381 -5.699 390 2HD1 ILE 47 2HD1 ILE 47 -8.146 -13.536 -4.992 391 3HD1 ILE 47 3HD1 ILE 47 -7.480 -14.850 -5.968 392 H TYR 48 H TYR 48 -8.456 -13.206 -9.904 393 HA TYR 48 HA TYR 48 -11.278 -12.851 -10.755 394 1HB TYR 48 2HB TYR 48 -9.235 -14.757 -11.885 395 2HB TYR 48 3HB TYR 48 -10.701 -14.206 -12.677 396 HD1 TYR 48 1HD TYR 48 -10.287 -11.248 -12.354 397 HD2 TYR 48 2HD TYR 48 -7.588 -14.386 -13.482 398 HE1 TYR 48 1HE TYR 48 -9.022 -9.639 -13.796 399 HE2 TYR 48 2HE TYR 48 -6.300 -12.794 -14.876 400 HH TYR 48 HH TYR 48 -7.376 -9.461 -15.429 401 H GLU 49 H GLU 49 -11.985 -15.357 -11.315 402 HA GLU 49 HA GLU 49 -12.385 -16.303 -8.593 403 1HB GLU 49 2HB GLU 49 -14.176 -17.568 -9.582 404 2HB GLU 49 3HB GLU 49 -14.213 -15.900 -10.174 405 1HG GLU 49 2HG GLU 49 -13.577 -16.475 -12.348 406 2HG GLU 49 3HG GLU 49 -12.876 -18.024 -11.870 407 H ASN 50 H ASN 50 -9.815 -16.745 -9.345 408 HA ASN 50 HA ASN 50 -9.154 -19.132 -10.689 409 1HB ASN 50 2HB ASN 50 -7.625 -17.535 -8.603 410 2HB ASN 50 3HB ASN 50 -6.962 -18.977 -9.389 411 1HD2 ASN 50 2HD2 ASN 50 -5.250 -17.530 -10.202 412 2HD2 ASN 50 1HD2 ASN 50 -5.587 -16.626 -11.667 413 H GLU 51 H GLU 51 -10.742 -20.580 -9.912 414 HA GLU 51 HA GLU 51 -11.573 -22.309 -8.805 415 1HB GLU 51 2HB GLU 51 -9.162 -23.142 -9.045 416 2HB GLU 51 3HB GLU 51 -8.936 -22.714 -7.340 417 1HG GLU 51 2HG GLU 51 -10.632 -24.327 -6.669 418 2HG GLU 51 3HG GLU 51 -11.175 -24.542 -8.341 419 H GLY 52 H GLY 52 -11.859 -19.662 -7.961 420 1HA GLY 52 2HA GLY 52 -11.627 -19.518 -5.057 421 2HA GLY 52 3HA GLY 52 -12.106 -18.236 -6.171 422 H PHE 53 H PHE 53 -14.007 -20.600 -7.255 423 HA PHE 53 HA PHE 53 -16.235 -20.955 -7.190 424 1HB PHE 53 2HB PHE 53 -15.389 -21.259 -4.323 425 2HB PHE 53 3HB PHE 53 -17.098 -21.162 -4.630 426 HD1 PHE 53 1HD PHE 53 -14.060 -23.192 -5.332 427 HD2 PHE 53 2HD PHE 53 -18.349 -22.883 -5.729 428 HE1 PHE 53 1HE PHE 53 -14.194 -25.609 -5.889 429 HE2 PHE 53 2HE PHE 53 -18.472 -25.295 -6.273 430 HZ PHE 53 HZ PHE 53 -16.398 -26.664 -6.348 431 H ARG 54 H ARG 54 -15.261 -18.047 -7.125 432 HA ARG 54 HA ARG 54 -17.952 -17.018 -6.990 433 1HB ARG 54 2HB ARG 54 -17.026 -16.839 -4.574 434 2HB ARG 54 3HB ARG 54 -15.887 -15.660 -5.218 435 1HG ARG 54 2HG ARG 54 -17.476 -14.080 -4.912 436 2HG ARG 54 3HG ARG 54 -18.396 -14.805 -6.224 437 1HD ARG 54 2HD ARG 54 -19.933 -14.771 -4.418 438 2HD ARG 54 3HD ARG 54 -19.375 -16.435 -4.499 439 HE ARG 54 HE ARG 54 -18.385 -16.219 -2.435 440 1HH1 ARG 54 1HH2 ARG 54 -19.048 -12.990 -3.698 441 2HH1 ARG 54 2HH2 ARG 54 -18.699 -12.166 -2.204 442 1HH2 ARG 54 1HH1 ARG 54 -17.898 -15.158 -0.470 443 2HH2 ARG 54 2HH1 ARG 54 -18.018 -13.424 -0.340 444 H GLU 55 H GLU 55 -18.213 -15.628 -8.598 445 HA GLU 55 HA GLU 55 -16.126 -14.795 -10.354 446 1HB GLU 55 2HB GLU 55 -18.481 -15.108 -11.002 447 2HB GLU 55 3HB GLU 55 -18.946 -13.720 -9.996 448 1HG GLU 55 2HG GLU 55 -17.591 -12.221 -11.399 449 2HG GLU 55 3HG GLU 55 -16.978 -13.605 -12.330 450 H ILE 56 H ILE 56 -14.560 -13.456 -9.676 451 HA ILE 56 HA ILE 56 -13.405 -11.724 -8.910 452 HB ILE 56 HB ILE 56 -16.038 -10.254 -9.056 453 1HG1 ILE 56 2HG1 ILE 56 -15.382 -11.189 -11.231 454 2HG1 ILE 56 3HG1 ILE 56 -15.325 -9.431 -11.201 455 1HG2 ILE 56 1HG2 ILE 56 -14.588 -8.947 -7.661 456 2HG2 ILE 56 2HG2 ILE 56 -13.191 -9.231 -8.711 457 3HG2 ILE 56 3HG2 ILE 56 -14.537 -8.215 -9.267 458 1HD1 ILE 56 1HD1 ILE 56 -12.837 -9.515 -10.968 459 2HD1 ILE 56 2HD1 ILE 56 -12.916 -11.289 -11.045 460 3HD1 ILE 56 3HD1 ILE 56 -13.423 -10.320 -12.430 461 H LYS 57 H LYS 57 -12.588 -12.247 -7.013 462 HA LYS 57 HA LYS 57 -14.156 -12.181 -4.546 463 1HB LYS 57 2HB LYS 57 -11.298 -12.715 -5.310 464 2HB LYS 57 3HB LYS 57 -11.628 -12.307 -3.640 465 1HG LYS 57 2HG LYS 57 -13.200 -14.456 -5.113 466 2HG LYS 57 3HG LYS 57 -11.632 -14.810 -4.393 467 1HD LYS 57 2HD LYS 57 -14.054 -13.776 -2.822 468 2HD LYS 57 3HD LYS 57 -13.528 -15.450 -2.960 469 1HE LYS 57 2HE LYS 57 -12.463 -15.008 -1.010 470 2HE LYS 57 3HE LYS 57 -11.185 -14.439 -2.087 471 1HZ LYS 57 1HZ LYS 57 -12.115 -12.202 -1.783 472 2HZ LYS 57 2HZ LYS 57 -13.235 -12.810 -0.743 473 3HZ LYS 57 3HZ LYS 57 -11.635 -12.885 -0.367 474 H GLY 58 H GLY 58 -11.958 -9.954 -6.290 475 1HA GLY 58 2HA GLY 58 -13.135 -7.654 -5.675 476 2HA GLY 58 3HA GLY 58 -12.206 -7.909 -4.187 477 H TYR 59 H TYR 59 -10.972 -6.154 -4.524 478 HA TYR 59 HA TYR 59 -9.146 -6.048 -6.872 479 1HB TYR 59 2HB TYR 59 -9.777 -4.061 -4.666 480 2HB TYR 59 3HB TYR 59 -8.383 -3.894 -5.717 481 HD1 TYR 59 1HD TYR 59 -8.996 -4.314 -8.339 482 HD2 TYR 59 2HD TYR 59 -11.613 -2.685 -5.338 483 HE1 TYR 59 1HE TYR 59 -10.092 -2.932 -10.068 484 HE2 TYR 59 2HE TYR 59 -12.768 -1.354 -7.085 485 HH TYR 59 HH TYR 59 -11.642 -1.250 -10.474 486 H GLU 60 H GLU 60 -6.815 -5.758 -6.408 487 HA GLU 60 HA GLU 60 -5.925 -6.615 -3.770 488 1HB GLU 60 2HB GLU 60 -5.614 -8.107 -6.320 489 2HB GLU 60 3HB GLU 60 -4.076 -7.709 -5.547 490 1HG GLU 60 2HG GLU 60 -4.953 -8.786 -3.436 491 2HG GLU 60 3HG GLU 60 -6.394 -9.279 -4.348 492 H TYR 61 H TYR 61 -3.964 -5.612 -3.257 493 HA TYR 61 HA TYR 61 -2.798 -3.646 -5.207 494 1HB TYR 61 2HB TYR 61 -3.123 -3.414 -2.188 495 2HB TYR 61 3HB TYR 61 -2.173 -2.324 -3.200 496 HD1 TYR 61 1HD TYR 61 -5.518 -3.075 -1.964 497 HD2 TYR 61 2HD TYR 61 -3.275 -0.902 -4.919 498 HE1 TYR 61 1HE TYR 61 -7.606 -1.972 -2.758 499 HE2 TYR 61 2HE TYR 61 -5.327 0.328 -5.567 500 HH TYR 61 HH TYR 61 -7.633 0.413 -5.405 501 H GLN 62 H GLN 62 -0.732 -4.254 -5.750 502 HA GLN 62 HA GLN 62 0.687 -6.156 -3.937 503 1HB GLN 62 2HB GLN 62 0.045 -6.851 -6.298 504 2HB GLN 62 3HB GLN 62 1.188 -5.634 -6.884 505 1HG GLN 62 2HG GLN 62 1.988 -7.859 -4.938 506 2HG GLN 62 3HG GLN 62 1.964 -8.076 -6.685 507 1HE2 GLN 62 2HE2 GLN 62 3.812 -6.632 -4.017 508 2HE2 GLN 62 1HE2 GLN 62 5.113 -6.117 -5.064 509 H LEU 63 H LEU 63 2.271 -5.170 -2.746 510 HA LEU 63 HA LEU 63 3.869 -3.101 -4.112 511 1HB LEU 63 2HB LEU 63 3.815 -1.769 -1.935 512 2HB LEU 63 3HB LEU 63 2.424 -1.747 -3.014 513 HG LEU 63 HG LEU 63 1.429 -3.611 -1.429 514 1HD1 LEU 63 1HD1 LEU 63 3.622 -3.699 -0.090 515 2HD1 LEU 63 2HD1 LEU 63 3.193 -2.081 0.513 516 3HD1 LEU 63 3HD1 LEU 63 2.145 -3.470 0.854 517 1HD2 LEU 63 1HD2 LEU 63 1.526 -0.700 -0.616 518 2HD2 LEU 63 2HD2 LEU 63 0.464 -1.410 -1.854 519 3HD2 LEU 63 3HD2 LEU 63 0.312 -1.929 -0.176 520 H TYR 64 H TYR 64 5.930 -2.746 -3.333 521 HA TYR 64 HA TYR 64 7.208 -5.134 -2.070 522 1HB TYR 64 2HB TYR 64 7.787 -3.407 -4.470 523 2HB TYR 64 3HB TYR 64 9.092 -4.226 -3.611 524 HD1 TYR 64 1HD TYR 64 8.515 -6.842 -3.070 525 HD2 TYR 64 2HD TYR 64 7.115 -4.528 -6.434 526 HE1 TYR 64 1HE TYR 64 7.958 -8.909 -4.264 527 HE2 TYR 64 2HE TYR 64 6.638 -6.626 -7.664 528 HH TYR 64 HH TYR 64 6.737 -9.803 -6.092 529 H VAL 65 H VAL 65 6.986 -4.184 -0.037 530 HA VAL 65 HA VAL 65 8.225 -1.572 0.526 531 HB VAL 65 HB VAL 65 6.955 -3.697 2.299 532 1HG1 VAL 65 1HG1 VAL 65 8.668 -2.557 3.615 533 2HG1 VAL 65 2HG1 VAL 65 8.109 -0.971 3.036 534 3HG1 VAL 65 3HG1 VAL 65 7.071 -1.962 4.083 535 1HG2 VAL 65 1HG2 VAL 65 6.064 -0.873 1.530 536 2HG2 VAL 65 2HG2 VAL 65 5.436 -2.360 0.803 537 3HG2 VAL 65 3HG2 VAL 65 5.162 -2.036 2.524 538 H TYR 66 H TYR 66 10.374 -1.382 1.108 539 HA TYR 66 HA TYR 66 11.988 -3.811 0.977 540 1HB TYR 66 2HB TYR 66 12.731 -1.611 -0.116 541 2HB TYR 66 3HB TYR 66 12.825 -0.930 1.502 542 HD1 TYR 66 1HD TYR 66 13.945 -4.316 0.517 543 HD2 TYR 66 2HD TYR 66 15.202 -0.318 1.388 544 HE1 TYR 66 1HE TYR 66 16.284 -4.955 0.061 545 HE2 TYR 66 2HE TYR 66 17.548 -0.988 1.106 546 HH TYR 66 HH TYR 66 19.024 -3.010 0.851 547 H ALA 67 H ALA 67 12.668 -4.830 2.874 548 HA ALA 67 HA ALA 67 12.729 -3.176 5.262 549 1HB ALA 67 1HB ALA 67 10.344 -4.154 5.060 550 2HB ALA 67 2HB ALA 67 11.093 -5.712 5.470 551 3HB ALA 67 3HB ALA 67 11.215 -4.332 6.578 552 H SER 68 H SER 68 14.095 -3.921 6.908 553 HA SER 68 HA SER 68 15.959 -4.872 7.640 554 1HB SER 68 2HB SER 68 14.451 -7.185 6.869 555 2HB SER 68 3HB SER 68 16.135 -7.476 6.427 556 HG SER 68 HG SER 68 15.688 -8.038 8.590 557 H ASP 69 H ASP 69 15.826 -6.403 4.459 558 HA ASP 69 HA ASP 69 17.379 -4.669 3.047 559 1HB ASP 69 2HB ASP 69 19.255 -5.556 4.563 560 2HB ASP 69 3HB ASP 69 18.981 -7.143 3.842 561 H LYS 70 H LYS 70 14.937 -6.325 2.882 562 HA LYS 70 HA LYS 70 15.478 -7.599 0.278 563 1HB LYS 70 2HB LYS 70 14.043 -8.996 2.589 564 2HB LYS 70 3HB LYS 70 13.905 -9.444 0.891 565 1HG LYS 70 2HG LYS 70 15.521 -10.904 1.405 566 2HG LYS 70 3HG LYS 70 16.572 -9.541 0.996 567 1HD LYS 70 2HD LYS 70 16.692 -8.972 3.441 568 2HD LYS 70 3HD LYS 70 15.631 -10.352 3.787 569 1HE LYS 70 2HE LYS 70 17.334 -11.885 2.769 570 2HE LYS 70 3HE LYS 70 18.390 -10.491 2.466 571 1HZ LYS 70 1HZ LYS 70 18.481 -10.131 4.822 572 2HZ LYS 70 2HZ LYS 70 17.488 -11.417 5.104 573 3HZ LYS 70 3HZ LYS 70 18.980 -11.655 4.451 574 H LEU 71 H LEU 71 13.808 -7.443 -1.122 575 HA LEU 71 HA LEU 71 11.599 -5.560 -0.533 576 1HB LEU 71 2HB LEU 71 12.522 -7.159 -2.925 577 2HB LEU 71 3HB LEU 71 11.010 -6.259 -2.943 578 HG LEU 71 HG LEU 71 12.032 -4.331 -3.474 579 1HD1 LEU 71 1HD1 LEU 71 12.776 -3.835 -1.263 580 2HD1 LEU 71 2HD1 LEU 71 14.265 -4.817 -1.572 581 3HD1 LEU 71 3HD1 LEU 71 13.947 -3.329 -2.479 582 1HD2 LEU 71 1HD2 LEU 71 14.537 -5.954 -3.639 583 2HD2 LEU 71 2HD2 LEU 71 13.231 -6.023 -4.865 584 3HD2 LEU 71 3HD2 LEU 71 14.130 -4.507 -4.595 585 H PHE 72 H PHE 72 10.908 -6.961 1.275 586 HA PHE 72 HA PHE 72 9.646 -9.491 0.950 587 1HB PHE 72 2HB PHE 72 9.043 -7.074 2.693 588 2HB PHE 72 3HB PHE 72 8.132 -8.547 2.815 589 HD1 PHE 72 1HD PHE 72 11.267 -6.995 3.583 590 HD2 PHE 72 2HD PHE 72 9.147 -10.715 3.554 591 HE1 PHE 72 1HE PHE 72 12.873 -7.915 5.299 592 HE2 PHE 72 2HE PHE 72 10.792 -11.681 5.143 593 HZ PHE 72 HZ PHE 72 12.647 -10.280 6.022 594 H ARG 73 H ARG 73 7.885 -10.106 -0.311 595 HA ARG 73 HA ARG 73 6.576 -8.061 -1.884 596 1HB ARG 73 2HB ARG 73 7.137 -10.413 -2.701 597 2HB ARG 73 3HB ARG 73 5.824 -11.005 -1.671 598 1HG ARG 73 2HG ARG 73 4.238 -9.435 -2.845 599 2HG ARG 73 3HG ARG 73 5.561 -8.888 -3.857 600 1HD ARG 73 2HD ARG 73 5.884 -11.431 -4.453 601 2HD ARG 73 3HD ARG 73 4.258 -11.636 -3.768 602 HE ARG 73 HE ARG 73 4.174 -9.499 -5.628 603 1HH1 ARG 73 1HH2 ARG 73 4.663 -13.000 -5.599 604 2HH1 ARG 73 2HH2 ARG 73 4.179 -13.226 -7.256 605 1HH2 ARG 73 1HH1 ARG 73 3.575 -9.774 -7.814 606 2HH2 ARG 73 2HH1 ARG 73 3.511 -11.363 -8.522 607 H ALA 74 H ALA 74 4.786 -6.917 -1.071 608 HA ALA 74 HA ALA 74 3.251 -8.258 1.087 609 1HB ALA 74 1HB ALA 74 4.719 -6.819 2.214 610 2HB ALA 74 2HB ALA 74 4.503 -5.513 1.044 611 3HB ALA 74 3HB ALA 74 3.189 -5.938 2.147 612 H ASP 75 H ASP 75 1.195 -8.600 0.372 613 HA ASP 75 HA ASP 75 0.112 -6.694 -1.635 614 1HB ASP 75 2HB ASP 75 0.740 -9.096 -2.325 615 2HB ASP 75 3HB ASP 75 -0.645 -9.619 -1.375 616 H ILE 76 H ILE 76 -2.385 -6.653 -1.540 617 HA ILE 76 HA ILE 76 -3.599 -7.539 0.988 618 HB ILE 76 HB ILE 76 -3.142 -4.690 0.285 619 1HG1 ILE 76 2HG1 ILE 76 -2.833 -6.225 2.518 620 2HG1 ILE 76 3HG1 ILE 76 -2.839 -4.471 2.506 621 1HG2 ILE 76 1HG2 ILE 76 -5.415 -4.689 -0.493 622 2HG2 ILE 76 2HG2 ILE 76 -5.998 -5.521 0.951 623 3HG2 ILE 76 3HG2 ILE 76 -5.387 -3.873 1.056 624 1HD1 ILE 76 1HD1 ILE 76 -5.044 -4.352 3.313 625 2HD1 ILE 76 2HD1 ILE 76 -5.359 -6.079 3.004 626 3HD1 ILE 76 3HD1 ILE 76 -4.234 -5.587 4.275 627 H SER 77 H SER 77 -5.706 -8.135 0.627 628 HA SER 77 HA SER 77 -6.747 -7.758 -2.138 629 1HB SER 77 2HB SER 77 -6.212 -10.200 -1.305 630 2HB SER 77 3HB SER 77 -7.664 -9.965 -0.317 631 HG SER 77 HG SER 77 -8.691 -9.354 -2.414 632 H GLU 78 H GLU 78 -8.806 -6.897 -2.282 633 HA GLU 78 HA GLU 78 -10.004 -5.943 0.231 634 1HB GLU 78 2HB GLU 78 -10.392 -5.137 -2.700 635 2HB GLU 78 3HB GLU 78 -11.369 -4.511 -1.379 636 1HG GLU 78 2HG GLU 78 -9.050 -3.866 -0.289 637 2HG GLU 78 3HG GLU 78 -8.442 -4.032 -1.938 638 H ASP 79 H ASP 79 -12.374 -6.008 0.258 639 HA ASP 79 HA ASP 79 -13.475 -8.593 -0.764 640 1HB ASP 79 2HB ASP 79 -13.608 -8.109 1.687 641 2HB ASP 79 3HB ASP 79 -14.583 -6.678 1.340 642 H TYR 80 H TYR 80 -14.292 -8.217 -2.819 643 HA TYR 80 HA TYR 80 -15.275 -5.919 -3.898 644 1HB TYR 80 2HB TYR 80 -15.047 -8.371 -4.854 645 2HB TYR 80 3HB TYR 80 -16.717 -8.541 -4.379 646 HD1 TYR 80 1HD TYR 80 -18.085 -8.436 -6.299 647 HD2 TYR 80 2HD TYR 80 -14.621 -5.867 -6.084 648 HE1 TYR 80 1HE TYR 80 -18.501 -7.667 -8.606 649 HE2 TYR 80 2HE TYR 80 -15.039 -5.114 -8.395 650 HH TYR 80 HH TYR 80 -17.741 -6.376 -10.359 651 H LYS 81 H LYS 81 -17.099 -7.887 -1.527 652 HA LYS 81 HA LYS 81 -19.699 -7.033 -2.037 653 1HB LYS 81 2HB LYS 81 -19.013 -8.758 -0.383 654 2HB LYS 81 3HB LYS 81 -18.290 -7.521 0.642 655 1HG LYS 81 2HG LYS 81 -20.423 -8.231 1.511 656 2HG LYS 81 3HG LYS 81 -20.499 -6.520 1.078 657 1HD LYS 81 2HD LYS 81 -21.741 -6.986 -0.932 658 2HD LYS 81 3HD LYS 81 -21.395 -8.727 -0.825 659 1HE LYS 81 2HE LYS 81 -22.743 -8.887 1.248 660 2HE LYS 81 3HE LYS 81 -23.081 -7.147 1.181 661 1HZ LYS 81 1HZ LYS 81 -24.215 -7.502 -0.877 662 2HZ LYS 81 2HZ LYS 81 -23.860 -9.113 -0.858 663 3HZ LYS 81 3HZ LYS 81 -24.856 -8.475 0.289 664 H THR 82 H THR 82 -17.562 -5.656 0.397 665 HA THR 82 HA THR 82 -18.505 -2.896 -0.211 666 HB THR 82 HB THR 82 -17.319 -4.121 2.321 667 HG1 THR 82 1HG THR 82 -19.896 -3.703 1.312 668 1HG2 THR 82 1HG2 THR 82 -16.866 -1.744 2.313 669 2HG2 THR 82 2HG2 THR 82 -18.503 -1.397 1.696 670 3HG2 THR 82 3HG2 THR 82 -18.277 -2.056 3.341 671 H ARG 83 H ARG 83 -15.519 -3.377 1.587 672 HA ARG 83 HA ARG 83 -13.606 -3.005 -0.434 673 1HB ARG 83 2HB ARG 83 -15.116 -0.610 0.139 674 2HB ARG 83 3HB ARG 83 -13.468 -0.390 0.711 675 1HG ARG 83 2HG ARG 83 -12.594 -1.113 -1.497 676 2HG ARG 83 3HG ARG 83 -14.264 -1.209 -2.097 677 1HD ARG 83 2HD ARG 83 -14.564 1.206 -1.538 678 2HD ARG 83 3HD ARG 83 -12.868 1.268 -0.993 679 HE ARG 83 HE ARG 83 -12.953 0.228 -3.635 680 1HH1 ARG 83 1HH2 ARG 83 -13.462 3.262 -1.906 681 2HH1 ARG 83 2HH2 ARG 83 -13.065 4.279 -3.266 682 1HH2 ARG 83 1HH1 ARG 83 -12.445 1.536 -5.432 683 2HH2 ARG 83 2HH1 ARG 83 -12.477 3.274 -5.312 684 H GLY 84 H GLY 84 -13.734 -4.728 1.539 685 1HA GLY 84 2HA GLY 84 -12.584 -3.874 4.050 686 2HA GLY 84 3HA GLY 84 -12.697 -5.535 3.440 687 H ARG 85 H ARG 85 -10.373 -5.064 4.688 688 HA ARG 85 HA ARG 85 -8.471 -5.198 2.451 689 1HB ARG 85 2HB ARG 85 -7.179 -3.994 4.807 690 2HB ARG 85 3HB ARG 85 -7.100 -3.563 3.118 691 1HG ARG 85 2HG ARG 85 -7.921 -1.670 4.125 692 2HG ARG 85 3HG ARG 85 -9.372 -2.365 3.452 693 1HD ARG 85 2HD ARG 85 -8.908 -3.502 6.132 694 2HD ARG 85 3HD ARG 85 -8.721 -1.763 6.252 695 HE ARG 85 HE ARG 85 -11.144 -3.282 5.957 696 1HH1 ARG 85 1HH2 ARG 85 -9.702 -0.200 5.075 697 2HH1 ARG 85 2HH2 ARG 85 -11.196 0.698 5.156 698 1HH2 ARG 85 1HH1 ARG 85 -13.123 -2.158 6.020 699 2HH2 ARG 85 2HH1 ARG 85 -13.184 -0.455 5.664 700 H LYS 86 H LYS 86 -8.070 -7.334 2.540 701 HA LYS 86 HA LYS 86 -7.691 -8.667 5.161 702 1HB LYS 86 2HB LYS 86 -8.003 -9.760 2.361 703 2HB LYS 86 3HB LYS 86 -7.711 -10.734 3.809 704 1HG LYS 86 2HG LYS 86 -10.146 -8.941 3.319 705 2HG LYS 86 3HG LYS 86 -10.068 -10.695 3.223 706 1HD LYS 86 2HD LYS 86 -10.973 -10.462 5.290 707 2HD LYS 86 3HD LYS 86 -9.279 -10.630 5.719 708 1HE LYS 86 2HE LYS 86 -9.255 -8.536 6.725 709 2HE LYS 86 3HE LYS 86 -10.051 -7.780 5.349 710 1HZ LYS 86 1HZ LYS 86 -12.130 -8.598 6.144 711 2HZ LYS 86 2HZ LYS 86 -11.403 -9.308 7.441 712 3HZ LYS 86 3HZ LYS 86 -11.382 -7.668 7.280 713 H LEU 87 H LEU 87 -5.854 -8.899 5.972 714 HA LEU 87 HA LEU 87 -3.499 -7.828 4.947 715 1HB LEU 87 2HB LEU 87 -4.267 -8.208 7.316 716 2HB LEU 87 3HB LEU 87 -3.818 -9.905 7.178 717 HG LEU 87 HG LEU 87 -1.929 -7.557 6.774 718 1HD1 LEU 87 1HD1 LEU 87 -2.880 -7.506 8.984 719 2HD1 LEU 87 2HD1 LEU 87 -2.388 -9.186 9.291 720 3HD1 LEU 87 3HD1 LEU 87 -1.158 -7.918 9.065 721 1HD2 LEU 87 1HD2 LEU 87 -1.425 -10.538 7.369 722 2HD2 LEU 87 2HD2 LEU 87 -0.999 -9.726 5.856 723 3HD2 LEU 87 3HD2 LEU 87 -0.159 -9.302 7.348 724 H LEU 88 H LEU 88 -2.706 -8.606 3.061 725 HA LEU 88 HA LEU 88 -1.754 -11.426 2.981 726 1HB LEU 88 2HB LEU 88 -3.335 -9.848 1.076 727 2HB LEU 88 3HB LEU 88 -1.815 -10.316 0.351 728 HG LEU 88 HG LEU 88 -3.528 -11.888 -0.179 729 1HD1 LEU 88 1HD1 LEU 88 -1.187 -12.708 0.124 730 2HD1 LEU 88 2HD1 LEU 88 -1.610 -13.252 1.760 731 3HD1 LEU 88 3HD1 LEU 88 -2.427 -13.953 0.358 732 1HD2 LEU 88 1HD2 LEU 88 -3.827 -12.505 2.788 733 2HD2 LEU 88 2HD2 LEU 88 -4.973 -11.566 1.809 734 3HD2 LEU 88 3HD2 LEU 88 -4.678 -13.276 1.441 735 H ARG 89 H ARG 89 -0.639 -8.709 4.016 736 HA ARG 89 HA ARG 89 1.584 -8.237 2.292 737 1HB ARG 89 2HB ARG 89 2.484 -7.159 4.606 738 2HB ARG 89 3HB ARG 89 1.555 -6.334 3.382 739 1HG ARG 89 2HG ARG 89 0.159 -7.694 5.630 740 2HG ARG 89 3HG ARG 89 0.919 -6.133 5.846 741 1HD ARG 89 2HD ARG 89 -1.092 -6.664 3.628 742 2HD ARG 89 3HD ARG 89 -1.554 -6.019 5.196 743 HE ARG 89 HE ARG 89 -0.565 -3.976 4.773 744 1HH1 ARG 89 1HH2 ARG 89 -0.301 -6.049 1.875 745 2HH1 ARG 89 2HH2 ARG 89 0.241 -4.730 0.877 746 1HH2 ARG 89 1HH1 ARG 89 0.024 -2.289 3.432 747 2HH2 ARG 89 2HH1 ARG 89 0.382 -2.588 1.753 748 H PHE 90 H PHE 90 3.847 -8.424 3.137 749 HA PHE 90 HA PHE 90 5.632 -9.634 3.797 750 1HB PHE 90 2HB PHE 90 3.664 -9.710 5.993 751 2HB PHE 90 3HB PHE 90 4.876 -10.971 6.104 752 HD1 PHE 90 1HD PHE 90 4.202 -7.446 6.488 753 HD2 PHE 90 2HD PHE 90 7.313 -10.409 6.165 754 HE1 PHE 90 1HE PHE 90 5.849 -5.812 7.374 755 HE2 PHE 90 2HE PHE 90 8.961 -8.781 7.034 756 HZ PHE 90 HZ PHE 90 8.227 -6.478 7.620 757 H ASN 91 H ASN 91 5.236 -10.849 1.780 758 HA ASN 91 HA ASN 91 5.117 -13.750 2.357 759 1HB ASN 91 2HB ASN 91 2.923 -12.723 1.387 760 2HB ASN 91 3HB ASN 91 3.853 -12.544 -0.108 761 1HD2 ASN 91 2HD2 ASN 91 3.983 -14.408 -1.443 762 2HD2 ASN 91 1HD2 ASN 91 3.465 -15.994 -0.895 763 H GLY 92 H GLY 92 6.023 -14.952 0.400 764 1HA GLY 92 2HA GLY 92 7.606 -15.100 -1.347 765 2HA GLY 92 3HA GLY 92 8.195 -13.477 -1.023 766 HA PRO 93 HA PRO 93 9.501 -12.292 0.573 767 1HB PRO 93 2HB PRO 93 12.159 -11.890 0.980 768 2HB PRO 93 3HB PRO 93 11.036 -12.260 2.319 769 1HG PRO 93 2HG PRO 93 12.794 -14.225 0.819 770 2HG PRO 93 3HG PRO 93 12.687 -13.991 2.590 771 1HD PRO 93 2HD PRO 93 11.253 -15.926 1.318 772 2HD PRO 93 3HD PRO 93 10.532 -15.012 2.667 773 H VAL 94 H VAL 94 10.724 -10.872 -1.039 774 HA VAL 94 HA VAL 94 11.418 -12.422 -3.464 775 HB VAL 94 HB VAL 94 9.791 -10.022 -3.014 776 1HG1 VAL 94 1HG1 VAL 94 11.714 -8.829 -4.043 777 2HG1 VAL 94 2HG1 VAL 94 11.707 -9.991 -5.384 778 3HG1 VAL 94 3HG1 VAL 94 10.343 -8.897 -5.128 779 1HG2 VAL 94 1HG2 VAL 94 10.072 -11.974 -5.301 780 2HG2 VAL 94 2HG2 VAL 94 8.937 -12.087 -3.926 781 3HG2 VAL 94 3HG2 VAL 94 8.788 -10.774 -5.112 782 HA PRO 95 HA PRO 95 15.534 -10.720 -2.735 783 1HB PRO 95 2HB PRO 95 16.832 -11.739 -4.909 784 2HB PRO 95 3HB PRO 95 16.269 -12.791 -3.576 785 1HG PRO 95 2HG PRO 95 14.869 -12.208 -6.204 786 2HG PRO 95 3HG PRO 95 15.207 -13.810 -5.482 787 1HD PRO 95 2HD PRO 95 12.812 -12.529 -5.196 788 2HD PRO 95 3HD PRO 95 13.490 -13.538 -3.879 789 HA PRO 96 HA PRO 96 15.295 -7.131 -5.227 790 1HB PRO 96 2HB PRO 96 17.889 -6.205 -5.490 791 2HB PRO 96 3HB PRO 96 17.004 -6.207 -3.936 792 1HG PRO 96 2HG PRO 96 18.917 -8.319 -4.967 793 2HG PRO 96 3HG PRO 96 18.944 -7.510 -3.369 794 1HD PRO 96 2HD PRO 96 17.795 -9.945 -3.693 795 2HD PRO 96 3HD PRO 96 17.019 -8.722 -2.646 796 HA PRO 97 HA PRO 97 15.718 -8.193 -9.474 797 1HB PRO 97 2HB PRO 97 15.581 -5.754 -10.723 798 2HB PRO 97 3HB PRO 97 14.187 -6.502 -9.894 799 1HG PRO 97 2HG PRO 97 16.093 -4.425 -8.776 800 2HG PRO 97 3HG PRO 97 14.304 -4.390 -8.762 801 1HD PRO 97 2HD PRO 97 15.719 -5.256 -6.618 802 2HD PRO 97 3HD PRO 97 14.204 -6.081 -7.100 Start of MODEL 2 1 1H MET 1 1H MET 1 -14.243 -6.792 -18.565 2 2H MET 1 2H MET 1 -13.636 -7.790 -17.402 3 3H MET 1 3H MET 1 -12.617 -6.847 -18.287 4 HA MET 1 HA MET 1 -13.323 -4.894 -17.277 5 1HB MET 1 2HB MET 1 -15.541 -6.622 -16.123 6 2HB MET 1 3HB MET 1 -15.143 -5.003 -15.523 7 1HG MET 1 2HG MET 1 -15.521 -4.042 -17.750 8 2HG MET 1 3HG MET 1 -15.939 -5.640 -18.391 9 1HE MET 1 1HE MET 1 -17.690 -2.995 -18.718 10 2HE MET 1 2HE MET 1 -18.097 -4.579 -19.427 11 3HE MET 1 3HE MET 1 -19.312 -3.687 -18.480 12 H GLY 2 H GLY 2 -11.248 -5.002 -16.405 13 1HA GLY 2 2HA GLY 2 -10.824 -5.400 -13.733 14 2HA GLY 2 3HA GLY 2 -10.489 -6.990 -14.460 15 H GLU 3 H GLU 3 -8.356 -7.211 -14.843 16 HA GLU 3 HA GLU 3 -6.294 -6.921 -15.571 17 1HB GLU 3 2HB GLU 3 -5.860 -5.775 -17.439 18 2HB GLU 3 3HB GLU 3 -7.589 -5.475 -17.448 19 1HG GLU 3 2HG GLU 3 -6.968 -3.256 -16.147 20 2HG GLU 3 3HG GLU 3 -5.325 -3.624 -16.688 21 H TRP 4 H TRP 4 -4.305 -5.461 -15.223 22 HA TRP 4 HA TRP 4 -4.369 -4.643 -12.407 23 1HB TRP 4 2HB TRP 4 -2.146 -4.696 -14.487 24 2HB TRP 4 3HB TRP 4 -1.948 -4.107 -12.865 25 HD1 TRP 4 HD TRP 4 -3.313 -7.473 -14.286 26 HE1 TRP 4 1HE TRP 4 -2.254 -9.366 -12.950 27 HE3 TRP 4 3HE TRP 4 -0.556 -4.687 -11.040 28 HZ2 TRP 4 2HZ TRP 4 -0.383 -9.648 -10.733 29 HZ3 TRP 4 3HZ TRP 4 0.737 -5.766 -9.224 30 HH2 TRP 4 HH TRP 4 0.896 -8.257 -9.109 31 H GLU 5 H GLU 5 -3.249 -2.485 -11.838 32 HA GLU 5 HA GLU 5 -3.611 -0.362 -13.803 33 1HB GLU 5 2HB GLU 5 -5.849 -1.074 -12.263 34 2HB GLU 5 3HB GLU 5 -5.215 0.307 -11.395 35 1HG GLU 5 2HG GLU 5 -5.753 1.779 -13.107 36 2HG GLU 5 3HG GLU 5 -5.501 0.576 -14.386 37 H ILE 6 H ILE 6 -3.535 1.810 -12.487 38 HA ILE 6 HA ILE 6 -0.890 1.739 -11.241 39 HB ILE 6 HB ILE 6 -0.995 4.178 -11.303 40 1HG1 ILE 6 2HG1 ILE 6 -3.644 4.001 -12.797 41 2HG1 ILE 6 3HG1 ILE 6 -3.569 4.316 -11.059 42 1HG2 ILE 6 1HG2 ILE 6 -0.171 2.838 -13.237 43 2HG2 ILE 6 2HG2 ILE 6 -1.785 2.914 -13.969 44 3HG2 ILE 6 3HG2 ILE 6 -0.837 4.394 -13.742 45 1HD1 ILE 6 1HD1 ILE 6 -2.167 6.301 -11.430 46 2HD1 ILE 6 2HD1 ILE 6 -2.268 6.055 -13.188 47 3HD1 ILE 6 3HD1 ILE 6 -3.731 6.413 -12.258 48 H ILE 7 H ILE 7 -0.433 2.674 -9.179 49 HA ILE 7 HA ILE 7 -2.603 2.314 -7.199 50 HB ILE 7 HB ILE 7 -0.410 1.144 -7.012 51 1HG1 ILE 7 2HG1 ILE 7 -0.341 2.779 -4.555 52 2HG1 ILE 7 3HG1 ILE 7 -1.959 2.207 -4.996 53 1HG2 ILE 7 1HG2 ILE 7 1.072 3.017 -7.803 54 2HG2 ILE 7 2HG2 ILE 7 0.756 3.872 -6.283 55 3HG2 ILE 7 3HG2 ILE 7 1.565 2.308 -6.253 56 1HD1 ILE 7 1HD1 ILE 7 -1.213 -0.092 -5.063 57 2HD1 ILE 7 2HD1 ILE 7 0.466 0.409 -4.762 58 3HD1 ILE 7 3HD1 ILE 7 -0.766 0.642 -3.509 59 H ASP 8 H ASP 8 -3.547 4.134 -6.252 60 HA ASP 8 HA ASP 8 -2.695 6.741 -7.239 61 1HB ASP 8 2HB ASP 8 -5.108 5.690 -6.110 62 2HB ASP 8 3HB ASP 8 -4.540 6.936 -4.997 63 H ILE 9 H ILE 9 -2.180 8.537 -5.752 64 HA ILE 9 HA ILE 9 -0.281 7.679 -3.622 65 HB ILE 9 HB ILE 9 -0.636 10.346 -5.032 66 1HG1 ILE 9 2HG1 ILE 9 0.198 8.760 -6.661 67 2HG1 ILE 9 3HG1 ILE 9 1.522 9.796 -6.155 68 1HG2 ILE 9 1HG2 ILE 9 0.386 10.897 -2.992 69 2HG2 ILE 9 2HG2 ILE 9 1.409 9.437 -2.991 70 3HG2 ILE 9 3HG2 ILE 9 1.717 10.766 -4.124 71 1HD1 ILE 9 1HD1 ILE 9 2.203 7.928 -4.512 72 2HD1 ILE 9 2HD1 ILE 9 1.027 6.901 -5.366 73 3HD1 ILE 9 3HD1 ILE 9 2.405 7.591 -6.238 74 H GLY 10 H GLY 10 -0.250 9.297 -1.703 75 1HA GLY 10 2HA GLY 10 -1.324 10.596 -0.126 76 2HA GLY 10 3HA GLY 10 -2.803 10.570 -1.083 77 HA PRO 11 HA PRO 11 -3.613 7.631 2.381 78 1HB PRO 11 2HB PRO 11 -6.306 7.768 2.489 79 2HB PRO 11 3HB PRO 11 -5.294 9.156 2.966 80 1HG PRO 11 2HG PRO 11 -6.624 8.700 0.278 81 2HG PRO 11 3HG PRO 11 -6.713 10.162 1.301 82 1HD PRO 11 2HD PRO 11 -4.932 9.893 -0.767 83 2HD PRO 11 3HD PRO 11 -4.511 10.804 0.717 84 H PHE 12 H PHE 12 -2.626 6.385 0.338 85 HA PHE 12 HA PHE 12 -4.411 4.137 -0.142 86 1HB PHE 12 2HB PHE 12 -4.604 6.053 -1.965 87 2HB PHE 12 3HB PHE 12 -3.114 5.396 -2.568 88 HD1 PHE 12 1HD PHE 12 -6.693 5.135 -2.440 89 HD2 PHE 12 2HD PHE 12 -3.142 2.777 -3.084 90 HE1 PHE 12 1HE PHE 12 -7.997 3.557 -3.827 91 HE2 PHE 12 2HE PHE 12 -4.453 1.196 -4.480 92 HZ PHE 12 HZ PHE 12 -6.872 1.642 -4.920 93 H THR 13 H THR 13 -1.313 5.271 -1.671 94 HA THR 13 HA THR 13 -0.045 2.756 -1.273 95 HB THR 13 HB THR 13 0.624 4.365 -2.993 96 HG1 THR 13 1HG THR 13 2.891 4.078 -2.591 97 1HG2 THR 13 1HG2 THR 13 0.493 6.496 -1.596 98 2HG2 THR 13 2HG2 THR 13 2.026 5.997 -0.841 99 3HG2 THR 13 3HG2 THR 13 1.956 6.309 -2.574 100 H GLN 14 H GLN 14 0.159 5.842 0.551 101 HA GLN 14 HA GLN 14 1.901 4.757 2.562 102 1HB GLN 14 2HB GLN 14 0.553 7.322 2.023 103 2HB GLN 14 3HB GLN 14 0.446 6.869 3.715 104 1HG GLN 14 2HG GLN 14 2.471 8.152 3.414 105 2HG GLN 14 3HG GLN 14 2.921 6.485 3.772 106 1HE2 GLN 14 2HE2 GLN 14 2.300 8.704 0.986 107 2HE2 GLN 14 1HE2 GLN 14 3.561 8.027 -0.031 108 H ASN 15 H ASN 15 -1.652 5.100 2.290 109 HA ASN 15 HA ASN 15 -2.331 4.182 4.854 110 1HB ASN 15 2HB ASN 15 -3.721 4.772 2.484 111 2HB ASN 15 3HB ASN 15 -4.143 3.098 2.788 112 1HD2 ASN 15 2HD2 ASN 15 -5.464 2.625 4.670 113 2HD2 ASN 15 1HD2 ASN 15 -6.178 3.931 5.600 114 H LEU 16 H LEU 16 -1.594 2.308 1.919 115 HA LEU 16 HA LEU 16 -2.043 -0.312 3.042 116 1HB LEU 16 2HB LEU 16 -0.535 0.819 0.656 117 2HB LEU 16 3HB LEU 16 -0.466 -0.887 1.051 118 HG LEU 16 HG LEU 16 -3.181 0.473 0.749 119 1HD1 LEU 16 1HD1 LEU 16 -1.860 1.004 -1.302 120 2HD1 LEU 16 2HD1 LEU 16 -1.661 -0.740 -1.570 121 3HD1 LEU 16 3HD1 LEU 16 -3.276 -0.020 -1.574 122 1HD2 LEU 16 1HD2 LEU 16 -2.144 -2.357 0.509 123 2HD2 LEU 16 2HD2 LEU 16 -3.313 -1.689 1.678 124 3HD2 LEU 16 3HD2 LEU 16 -3.757 -1.842 -0.025 125 H ALA 17 H ALA 17 1.011 1.557 2.489 126 HA ALA 17 HA ALA 17 2.731 -0.317 3.707 127 1HB ALA 17 1HB ALA 17 3.486 1.645 2.441 128 2HB ALA 17 2HB ALA 17 2.900 2.728 3.720 129 3HB ALA 17 3HB ALA 17 4.240 1.606 4.051 130 H LYS 18 H LYS 18 0.945 2.396 5.204 131 HA LYS 18 HA LYS 18 1.857 1.900 7.838 132 1HB LYS 18 2HB LYS 18 0.022 3.760 6.578 133 2HB LYS 18 3HB LYS 18 -0.793 3.050 7.951 134 1HG LYS 18 2HG LYS 18 1.964 4.350 8.034 135 2HG LYS 18 3HG LYS 18 0.432 5.106 8.507 136 1HD LYS 18 2HD LYS 18 0.111 3.134 10.133 137 2HD LYS 18 3HD LYS 18 1.811 2.738 9.869 138 1HE LYS 18 2HE LYS 18 0.751 5.430 10.861 139 2HE LYS 18 3HE LYS 18 1.450 4.169 11.888 140 1HZ LYS 18 1HZ LYS 18 3.510 4.424 10.792 141 2HZ LYS 18 2HZ LYS 18 2.889 5.484 9.694 142 3HZ LYS 18 3HZ LYS 18 3.002 5.915 11.278 143 H PHE 19 H PHE 19 -1.093 0.795 6.108 144 HA PHE 19 HA PHE 19 -2.320 -0.594 8.210 145 1HB PHE 19 2HB PHE 19 -3.292 -0.270 5.960 146 2HB PHE 19 3HB PHE 19 -2.178 -1.444 5.290 147 HD1 PHE 19 1HD PHE 19 -2.282 -3.866 6.042 148 HD2 PHE 19 2HD PHE 19 -5.346 -0.997 7.039 149 HE1 PHE 19 1HE PHE 19 -3.891 -5.701 6.404 150 HE2 PHE 19 2HE PHE 19 -6.951 -2.854 7.394 151 HZ PHE 19 HZ PHE 19 -6.214 -5.227 7.033 152 H ALA 20 H ALA 20 0.159 -1.766 5.906 153 HA ALA 20 HA ALA 20 0.513 -4.361 6.956 154 1HB ALA 20 1HB ALA 20 1.716 -3.436 4.909 155 2HB ALA 20 2HB ALA 20 2.823 -2.603 5.994 156 3HB ALA 20 3HB ALA 20 2.737 -4.365 6.015 157 H VAL 21 H VAL 21 2.331 -1.405 7.886 158 HA VAL 21 HA VAL 21 3.868 -2.621 9.935 159 HB VAL 21 HB VAL 21 2.925 0.258 9.636 160 1HG1 VAL 21 1HG1 VAL 21 3.832 -0.145 11.912 161 2HG1 VAL 21 2HG1 VAL 21 5.267 -0.922 11.213 162 3HG1 VAL 21 3HG1 VAL 21 4.972 0.809 10.954 163 1HG2 VAL 21 1HG2 VAL 21 5.701 -0.540 8.878 164 2HG2 VAL 21 2HG2 VAL 21 4.416 -0.902 7.720 165 3HG2 VAL 21 3HG2 VAL 21 4.682 0.759 8.269 166 H ASP 22 H ASP 22 0.998 -0.567 10.233 167 HA ASP 22 HA ASP 22 0.552 -0.632 12.964 168 1HB ASP 22 2HB ASP 22 -0.594 0.903 11.452 169 2HB ASP 22 3HB ASP 22 -1.411 -0.442 10.640 170 H GLU 23 H GLU 23 -1.152 -2.708 10.490 171 HA GLU 23 HA GLU 23 -2.454 -4.256 12.445 172 1HB GLU 23 2HB GLU 23 -2.656 -4.120 9.745 173 2HB GLU 23 3HB GLU 23 -1.708 -5.616 9.899 174 1HG GLU 23 2HG GLU 23 -3.425 -6.335 11.640 175 2HG GLU 23 3HG GLU 23 -4.338 -4.857 11.246 176 H GLU 24 H GLU 24 0.717 -4.822 10.863 177 HA GLU 24 HA GLU 24 1.145 -7.224 12.325 178 1HB GLU 24 2HB GLU 24 2.452 -6.742 10.347 179 2HB GLU 24 3HB GLU 24 3.129 -5.275 11.072 180 1HG GLU 24 2HG GLU 24 4.685 -7.233 11.066 181 2HG GLU 24 3HG GLU 24 4.402 -6.511 12.651 182 H ASN 25 H ASN 25 1.606 -3.831 13.214 183 HA ASN 25 HA ASN 25 3.124 -4.247 15.581 184 1HB ASN 25 2HB ASN 25 2.222 -2.021 14.239 185 2HB ASN 25 3HB ASN 25 1.100 -2.032 15.587 186 1HD2 ASN 25 2HD2 ASN 25 4.478 -1.751 14.601 187 2HD2 ASN 25 1HD2 ASN 25 5.056 -1.123 16.137 188 H LYS 26 H LYS 26 -0.406 -4.058 14.990 189 HA LYS 26 HA LYS 26 -1.229 -4.498 17.713 190 1HB LYS 26 2HB LYS 26 -2.563 -5.210 15.086 191 2HB LYS 26 3HB LYS 26 -3.360 -5.322 16.651 192 1HG LYS 26 2HG LYS 26 -3.797 -3.115 16.777 193 2HG LYS 26 3HG LYS 26 -2.216 -2.631 16.136 194 1HD LYS 26 2HD LYS 26 -2.815 -2.856 13.961 195 2HD LYS 26 3HD LYS 26 -4.149 -3.984 14.243 196 1HE LYS 26 2HE LYS 26 -4.226 -1.029 15.035 197 2HE LYS 26 3HE LYS 26 -4.778 -1.644 13.468 198 1HZ LYS 26 1HZ LYS 26 -6.328 -3.043 14.574 199 2HZ LYS 26 2HZ LYS 26 -5.867 -2.476 16.052 200 3HZ LYS 26 3HZ LYS 26 -6.585 -1.465 14.964 201 H ILE 27 H ILE 27 -1.112 -6.807 14.920 202 HA ILE 27 HA ILE 27 -1.754 -8.980 16.665 203 HB ILE 27 HB ILE 27 -0.649 -9.122 13.849 204 1HG1 ILE 27 2HG1 ILE 27 -3.585 -9.151 14.697 205 2HG1 ILE 27 3HG1 ILE 27 -2.792 -7.674 14.162 206 1HG2 ILE 27 1HG2 ILE 27 -0.662 -11.271 15.199 207 2HG2 ILE 27 2HG2 ILE 27 -2.387 -11.060 15.462 208 3HG2 ILE 27 3HG2 ILE 27 -1.760 -11.333 13.822 209 1HD1 ILE 27 1HD1 ILE 27 -2.213 -8.694 12.004 210 2HD1 ILE 27 2HD1 ILE 27 -3.085 -10.174 12.466 211 3HD1 ILE 27 3HD1 ILE 27 -3.963 -8.650 12.302 212 H GLY 28 H GLY 28 1.396 -8.075 15.166 213 1HA GLY 28 2HA GLY 28 3.527 -8.595 15.794 214 2HA GLY 28 3HA GLY 28 2.881 -9.240 17.291 215 H GLN 29 H GLN 29 2.349 -10.440 13.880 216 HA GLN 29 HA GLN 29 3.100 -13.155 14.764 217 1HB GLN 29 2HB GLN 29 2.255 -11.999 12.087 218 2HB GLN 29 3HB GLN 29 2.685 -13.703 12.328 219 1HG GLN 29 2HG GLN 29 0.390 -12.215 13.602 220 2HG GLN 29 3HG GLN 29 0.285 -13.416 12.322 221 1HE2 GLN 29 2HE2 GLN 29 0.846 -12.976 15.823 222 2HE2 GLN 29 1HE2 GLN 29 0.686 -14.680 16.201 223 H TYR 30 H TYR 30 4.699 -10.552 13.019 224 HA TYR 30 HA TYR 30 7.088 -12.281 12.578 225 1HB TYR 30 2HB TYR 30 7.255 -10.947 10.302 226 2HB TYR 30 3HB TYR 30 6.448 -12.497 10.447 227 HD1 TYR 30 1HD TYR 30 5.978 -9.024 9.365 228 HD2 TYR 30 2HD TYR 30 4.022 -12.737 10.373 229 HE1 TYR 30 1HE TYR 30 3.845 -8.096 8.621 230 HE2 TYR 30 2HE TYR 30 1.889 -11.824 9.493 231 HH TYR 30 HH TYR 30 1.550 -8.361 8.705 232 H GLY 31 H GLY 31 5.921 -8.996 11.942 233 1HA GLY 31 2HA GLY 31 6.526 -7.171 13.448 234 2HA GLY 31 3HA GLY 31 8.148 -7.861 13.608 235 H ARG 32 H ARG 32 6.985 -5.220 12.332 236 HA ARG 32 HA ARG 32 7.795 -5.532 9.591 237 1HB ARG 32 2HB ARG 32 5.966 -4.019 10.616 238 2HB ARG 32 3HB ARG 32 7.253 -2.845 10.877 239 1HG ARG 32 2HG ARG 32 6.764 -4.167 8.164 240 2HG ARG 32 3HG ARG 32 5.755 -2.850 8.727 241 1HD ARG 32 2HD ARG 32 7.815 -1.436 8.991 242 2HD ARG 32 3HD ARG 32 8.733 -2.727 8.200 243 HE ARG 32 HE ARG 32 6.682 -2.310 6.444 244 1HH1 ARG 32 1HH2 ARG 32 8.952 -0.066 7.938 245 2HH1 ARG 32 2HH2 ARG 32 8.974 1.048 6.597 246 1HH2 ARG 32 1HH1 ARG 32 6.627 -0.834 4.713 247 2HH2 ARG 32 2HH1 ARG 32 7.612 0.601 4.741 248 H LEU 33 H LEU 33 9.874 -6.439 10.969 249 HA LEU 33 HA LEU 33 12.099 -6.233 11.393 250 1HB LEU 33 2HB LEU 33 11.832 -4.616 8.854 251 2HB LEU 33 3HB LEU 33 13.341 -5.312 9.488 252 HG LEU 33 HG LEU 33 12.624 -6.604 7.680 253 1HD1 LEU 33 1HD1 LEU 33 13.678 -7.772 9.641 254 2HD1 LEU 33 2HD1 LEU 33 12.049 -8.242 10.175 255 3HD1 LEU 33 3HD1 LEU 33 12.669 -8.813 8.616 256 1HD2 LEU 33 1HD2 LEU 33 10.106 -7.522 9.007 257 2HD2 LEU 33 2HD2 LEU 33 10.124 -6.110 7.925 258 3HD2 LEU 33 3HD2 LEU 33 10.639 -7.703 7.333 259 H THR 34 H THR 34 13.272 -3.474 10.135 260 HA THR 34 HA THR 34 12.681 -1.805 12.555 261 HB THR 34 HB THR 34 15.357 -2.197 11.220 262 HG1 THR 34 1HG THR 34 14.178 -3.676 12.961 263 1HG2 THR 34 1HG2 THR 34 15.197 0.105 12.053 264 2HG2 THR 34 2HG2 THR 34 14.506 -0.465 13.589 265 3HG2 THR 34 3HG2 THR 34 16.186 -0.846 13.168 266 H PHE 35 H PHE 35 10.970 -1.037 11.131 267 HA PHE 35 HA PHE 35 10.113 0.439 9.626 268 1HB PHE 35 2HB PHE 35 11.102 1.407 11.992 269 2HB PHE 35 3HB PHE 35 11.780 2.560 10.878 270 HD1 PHE 35 1HD PHE 35 8.633 0.896 12.003 271 HD2 PHE 35 2HD PHE 35 10.336 4.291 9.953 272 HE1 PHE 35 1HE PHE 35 6.476 2.070 12.162 273 HE2 PHE 35 2HE PHE 35 8.147 5.454 10.078 274 HZ PHE 35 HZ PHE 35 6.208 4.350 11.179 275 H ASN 36 H ASN 36 11.090 -0.412 7.599 276 HA ASN 36 HA ASN 36 13.448 0.934 6.549 277 1HB ASN 36 2HB ASN 36 13.206 -0.804 4.839 278 2HB ASN 36 3HB ASN 36 13.264 -1.497 6.454 279 1HD2 ASN 36 2HD2 ASN 36 11.238 -2.348 7.442 280 2HD2 ASN 36 1HD2 ASN 36 9.847 -2.649 6.402 281 H LYS 37 H LYS 37 11.541 0.077 3.965 282 HA LYS 37 HA LYS 37 9.863 2.355 3.772 283 1HB LYS 37 2HB LYS 37 12.185 3.372 3.486 284 2HB LYS 37 3HB LYS 37 12.374 2.397 2.018 285 1HG LYS 37 2HG LYS 37 10.468 3.550 0.984 286 2HG LYS 37 3HG LYS 37 10.080 4.346 2.529 287 1HD LYS 37 2HD LYS 37 12.341 5.477 2.428 288 2HD LYS 37 3HD LYS 37 12.547 4.795 0.799 289 1HE LYS 37 2HE LYS 37 10.416 5.940 0.100 290 2HE LYS 37 3HE LYS 37 10.282 6.634 1.728 291 1HZ LYS 37 1HZ LYS 37 12.378 7.733 1.355 292 2HZ LYS 37 2HZ LYS 37 12.456 7.127 -0.178 293 3HZ LYS 37 3HZ LYS 37 11.254 8.176 0.235 294 H VAL 38 H VAL 38 8.648 2.226 1.811 295 HA VAL 38 HA VAL 38 8.710 -0.437 0.513 296 HB VAL 38 HB VAL 38 6.645 0.147 1.623 297 1HG1 VAL 38 1HG1 VAL 38 6.692 2.621 1.531 298 2HG1 VAL 38 2HG1 VAL 38 6.514 2.576 -0.237 299 3HG1 VAL 38 3HG1 VAL 38 5.203 2.016 0.807 300 1HG2 VAL 38 1HG2 VAL 38 6.306 0.192 -1.387 301 2HG2 VAL 38 2HG2 VAL 38 6.428 -1.235 -0.339 302 3HG2 VAL 38 3HG2 VAL 38 5.041 -0.154 -0.200 303 H ILE 39 H ILE 39 9.112 -0.608 -1.685 304 HA ILE 39 HA ILE 39 10.427 1.723 -2.897 305 HB ILE 39 HB ILE 39 10.807 0.338 -4.802 306 1HG1 ILE 39 2HG1 ILE 39 9.831 -2.218 -4.138 307 2HG1 ILE 39 3HG1 ILE 39 8.450 -1.141 -3.877 308 1HG2 ILE 39 1HG2 ILE 39 12.242 -0.019 -2.809 309 2HG2 ILE 39 2HG2 ILE 39 11.198 -1.375 -2.324 310 3HG2 ILE 39 3HG2 ILE 39 12.109 -1.456 -3.841 311 1HD1 ILE 39 1HD1 ILE 39 8.834 -0.206 -6.185 312 2HD1 ILE 39 2HD1 ILE 39 10.116 -1.426 -6.401 313 3HD1 ILE 39 3HD1 ILE 39 8.429 -1.932 -6.168 314 H ARG 40 H ARG 40 9.577 2.358 -5.274 315 HA ARG 40 HA ARG 40 6.782 2.054 -5.634 316 1HB ARG 40 2HB ARG 40 7.805 4.512 -4.288 317 2HB ARG 40 3HB ARG 40 6.887 4.855 -5.749 318 1HG ARG 40 2HG ARG 40 5.074 3.255 -4.785 319 2HG ARG 40 3HG ARG 40 5.929 3.396 -3.256 320 1HD ARG 40 2HD ARG 40 5.209 5.967 -4.703 321 2HD ARG 40 3HD ARG 40 3.918 5.022 -4.026 322 HE ARG 40 HE ARG 40 4.613 5.407 -1.860 323 1HH1 ARG 40 1HH2 ARG 40 7.047 6.662 -4.087 324 2HH1 ARG 40 2HH2 ARG 40 7.887 7.585 -2.874 325 1HH2 ARG 40 1HH1 ARG 40 5.719 6.544 -0.247 326 2HH2 ARG 40 2HH1 ARG 40 7.105 7.520 -0.652 327 HA PRO 41 HA PRO 41 5.322 3.668 -6.989 328 1HB PRO 41 2HB PRO 41 4.081 3.278 -9.360 329 2HB PRO 41 3HB PRO 41 4.920 4.794 -8.926 330 1HG PRO 41 2HG PRO 41 5.978 2.515 -10.604 331 2HG PRO 41 3HG PRO 41 6.056 4.269 -10.951 332 1HD PRO 41 2HD PRO 41 8.147 2.859 -9.820 333 2HD PRO 41 3HD PRO 41 7.837 4.572 -9.424 334 H CYS 42 H CYS 42 3.518 2.207 -6.858 335 HA CYS 42 HA CYS 42 4.226 -0.698 -6.997 336 1HB CYS 42 2HB CYS 42 2.817 0.948 -4.879 337 2HB CYS 42 3HB CYS 42 2.552 -0.793 -5.034 338 HG CYS 42 HG CYS 42 4.603 -0.142 -3.103 339 H MET 43 H MET 43 1.779 -1.955 -6.961 340 HA MET 43 HA MET 43 0.302 -0.597 -9.186 341 1HB MET 43 2HB MET 43 2.456 -2.040 -9.789 342 2HB MET 43 3HB MET 43 1.347 -3.396 -9.602 343 1HG MET 43 2HG MET 43 -0.072 -2.455 -11.390 344 2HG MET 43 3HG MET 43 0.893 -0.971 -11.402 345 1HE MET 43 1HE MET 43 0.223 -2.639 -14.076 346 2HE MET 43 2HE MET 43 1.121 -1.098 -14.010 347 3HE MET 43 3HE MET 43 1.808 -2.493 -14.874 348 H LYS 44 H LYS 44 -1.756 -1.271 -9.582 349 HA LYS 44 HA LYS 44 -3.035 -2.765 -7.384 350 1HB LYS 44 2HB LYS 44 -3.974 -0.615 -7.973 351 2HB LYS 44 3HB LYS 44 -4.208 -1.116 -9.657 352 1HG LYS 44 2HG LYS 44 -5.901 -2.724 -9.066 353 2HG LYS 44 3HG LYS 44 -5.407 -2.696 -7.372 354 1HD LYS 44 2HD LYS 44 -7.392 -1.573 -7.343 355 2HD LYS 44 3HD LYS 44 -6.149 -0.314 -7.225 356 1HE LYS 44 2HE LYS 44 -6.415 0.349 -9.512 357 2HE LYS 44 3HE LYS 44 -7.419 -1.064 -9.902 358 1HZ LYS 44 1HZ LYS 44 -9.105 -0.196 -8.489 359 2HZ LYS 44 2HZ LYS 44 -8.176 1.107 -8.083 360 3HZ LYS 44 3HZ LYS 44 -8.697 0.911 -9.636 361 H LYS 45 H LYS 45 -4.220 -4.665 -7.698 362 HA LYS 45 HA LYS 45 -4.181 -5.971 -10.383 363 1HB LYS 45 2HB LYS 45 -2.353 -6.905 -9.139 364 2HB LYS 45 3HB LYS 45 -3.302 -7.026 -7.681 365 1HG LYS 45 2HG LYS 45 -4.555 -8.586 -9.878 366 2HG LYS 45 3HG LYS 45 -2.861 -9.002 -9.648 367 1HD LYS 45 2HD LYS 45 -3.403 -9.145 -7.135 368 2HD LYS 45 3HD LYS 45 -5.109 -9.212 -7.646 369 1HE LYS 45 2HE LYS 45 -4.549 -11.246 -9.002 370 2HE LYS 45 3HE LYS 45 -2.845 -11.083 -8.526 371 1HZ LYS 45 1HZ LYS 45 -3.522 -11.369 -6.239 372 2HZ LYS 45 2HZ LYS 45 -5.075 -11.635 -6.714 373 3HZ LYS 45 3HZ LYS 45 -3.887 -12.676 -7.173 374 H THR 46 H THR 46 -6.184 -6.995 -10.802 375 HA THR 46 HA THR 46 -8.169 -7.004 -8.552 376 HB THR 46 HB THR 46 -8.689 -5.493 -10.366 377 HG1 THR 46 1HG THR 46 -10.804 -6.373 -10.686 378 1HG2 THR 46 1HG2 THR 46 -7.666 -7.146 -12.210 379 2HG2 THR 46 2HG2 THR 46 -9.328 -7.756 -12.217 380 3HG2 THR 46 3HG2 THR 46 -9.001 -6.038 -12.531 381 H ILE 47 H ILE 47 -8.062 -8.911 -7.624 382 HA ILE 47 HA ILE 47 -7.338 -11.332 -8.983 383 HB ILE 47 HB ILE 47 -6.992 -11.143 -6.595 384 1HG1 ILE 47 2HG1 ILE 47 -9.323 -13.081 -6.961 385 2HG1 ILE 47 3HG1 ILE 47 -7.703 -13.410 -7.579 386 1HG2 ILE 47 1HG2 ILE 47 -8.749 -9.566 -6.033 387 2HG2 ILE 47 2HG2 ILE 47 -9.996 -10.794 -6.379 388 3HG2 ILE 47 3HG2 ILE 47 -8.884 -10.980 -5.010 389 1HD1 ILE 47 1HD1 ILE 47 -6.858 -13.078 -5.152 390 2HD1 ILE 47 2HD1 ILE 47 -8.562 -13.082 -4.651 391 3HD1 ILE 47 3HD1 ILE 47 -7.878 -14.505 -5.428 392 H TYR 48 H TYR 48 -8.477 -12.876 -10.007 393 HA TYR 48 HA TYR 48 -11.411 -12.669 -10.220 394 1HB TYR 48 2HB TYR 48 -9.434 -14.375 -11.754 395 2HB TYR 48 3HB TYR 48 -11.091 -13.987 -12.227 396 HD1 TYR 48 1HD TYR 48 -11.394 -11.262 -12.043 397 HD2 TYR 48 2HD TYR 48 -7.797 -13.322 -13.103 398 HE1 TYR 48 1HE TYR 48 -10.656 -9.262 -13.348 399 HE2 TYR 48 2HE TYR 48 -7.004 -11.337 -14.341 400 HH TYR 48 HH TYR 48 -7.558 -9.281 -15.142 401 H GLU 49 H GLU 49 -12.224 -15.051 -10.685 402 HA GLU 49 HA GLU 49 -11.507 -16.845 -8.412 403 1HB GLU 49 2HB GLU 49 -14.142 -15.653 -9.290 404 2HB GLU 49 3HB GLU 49 -14.083 -17.309 -8.651 405 1HG GLU 49 2HG GLU 49 -12.644 -15.269 -7.028 406 2HG GLU 49 3HG GLU 49 -14.412 -15.182 -7.030 407 H ASN 50 H ASN 50 -10.172 -17.540 -10.129 408 HA ASN 50 HA ASN 50 -10.834 -18.662 -12.564 409 1HB ASN 50 2HB ASN 50 -8.589 -18.658 -10.841 410 2HB ASN 50 3HB ASN 50 -8.893 -20.362 -11.104 411 1HD2 ASN 50 2HD2 ASN 50 -8.441 -21.257 -13.175 412 2HD2 ASN 50 1HD2 ASN 50 -7.738 -20.276 -14.451 413 H GLU 51 H GLU 51 -12.885 -19.672 -12.642 414 HA GLU 51 HA GLU 51 -13.076 -22.388 -11.986 415 1HB GLU 51 2HB GLU 51 -13.730 -20.705 -9.806 416 2HB GLU 51 3HB GLU 51 -15.284 -20.929 -10.592 417 1HG GLU 51 2HG GLU 51 -15.106 -22.646 -8.960 418 2HG GLU 51 3HG GLU 51 -14.809 -23.471 -10.493 419 H GLY 52 H GLY 52 -15.626 -22.932 -12.400 420 1HA GLY 52 2HA GLY 52 -16.093 -22.163 -15.094 421 2HA GLY 52 3HA GLY 52 -17.194 -23.083 -14.065 422 H PHE 53 H PHE 53 -18.205 -21.621 -12.248 423 HA PHE 53 HA PHE 53 -19.258 -19.111 -13.499 424 1HB PHE 53 2HB PHE 53 -21.365 -19.570 -12.405 425 2HB PHE 53 3HB PHE 53 -20.951 -20.798 -13.586 426 HD1 PHE 53 1HD PHE 53 -21.745 -20.134 -10.085 427 HD2 PHE 53 2HD PHE 53 -20.217 -23.104 -12.818 428 HE1 PHE 53 1HE PHE 53 -21.999 -21.867 -8.343 429 HE2 PHE 53 2HE PHE 53 -20.471 -24.837 -11.061 430 HZ PHE 53 HZ PHE 53 -21.339 -24.218 -8.813 431 H ARG 54 H ARG 54 -17.921 -17.585 -12.454 432 HA ARG 54 HA ARG 54 -18.750 -17.034 -9.791 433 1HB ARG 54 2HB ARG 54 -16.732 -18.855 -9.737 434 2HB ARG 54 3HB ARG 54 -15.784 -17.404 -9.905 435 1HG ARG 54 2HG ARG 54 -16.277 -16.744 -7.702 436 2HG ARG 54 3HG ARG 54 -17.967 -17.194 -7.859 437 1HD ARG 54 2HD ARG 54 -17.241 -19.642 -7.751 438 2HD ARG 54 3HD ARG 54 -15.685 -19.030 -7.132 439 HE ARG 54 HE ARG 54 -17.796 -17.809 -5.684 440 1HH1 ARG 54 1HH2 ARG 54 -16.335 -20.987 -6.090 441 2HH1 ARG 54 2HH2 ARG 54 -17.060 -21.675 -4.662 442 1HH2 ARG 54 1HH1 ARG 54 -18.810 -18.695 -3.841 443 2HH2 ARG 54 2HH1 ARG 54 -18.484 -20.334 -3.347 444 H GLU 55 H GLU 55 -18.040 -14.909 -9.133 445 HA GLU 55 HA GLU 55 -17.079 -13.229 -11.398 446 1HB GLU 55 2HB GLU 55 -19.502 -13.043 -10.286 447 2HB GLU 55 3HB GLU 55 -18.631 -12.171 -9.021 448 1HG GLU 55 2HG GLU 55 -19.628 -10.655 -10.665 449 2HG GLU 55 3HG GLU 55 -17.878 -10.513 -10.754 450 H ILE 56 H ILE 56 -16.018 -11.160 -10.491 451 HA ILE 56 HA ILE 56 -13.582 -11.686 -9.309 452 HB ILE 56 HB ILE 56 -15.297 -9.197 -9.493 453 1HG1 ILE 56 2HG1 ILE 56 -12.640 -9.782 -10.833 454 2HG1 ILE 56 3HG1 ILE 56 -14.142 -10.430 -11.507 455 1HG2 ILE 56 1HG2 ILE 56 -13.897 -8.754 -7.559 456 2HG2 ILE 56 2HG2 ILE 56 -12.460 -9.359 -8.399 457 3HG2 ILE 56 3HG2 ILE 56 -13.235 -7.860 -8.919 458 1HD1 ILE 56 1HD1 ILE 56 -15.072 -8.160 -11.715 459 2HD1 ILE 56 2HD1 ILE 56 -13.555 -7.470 -11.091 460 3HD1 ILE 56 3HD1 ILE 56 -13.559 -8.363 -12.619 461 H LYS 57 H LYS 57 -12.742 -11.849 -7.289 462 HA LYS 57 HA LYS 57 -14.595 -12.133 -5.067 463 1HB LYS 57 2HB LYS 57 -12.463 -13.572 -5.631 464 2HB LYS 57 3HB LYS 57 -11.577 -12.273 -4.845 465 1HG LYS 57 2HG LYS 57 -12.008 -14.004 -3.237 466 2HG LYS 57 3HG LYS 57 -13.006 -12.619 -2.788 467 1HD LYS 57 2HD LYS 57 -14.424 -14.418 -4.648 468 2HD LYS 57 3HD LYS 57 -13.830 -15.323 -3.264 469 1HE LYS 57 2HE LYS 57 -15.477 -12.759 -2.996 470 2HE LYS 57 3HE LYS 57 -16.176 -14.383 -3.070 471 1HZ LYS 57 1HZ LYS 57 -14.913 -14.974 -1.145 472 2HZ LYS 57 2HZ LYS 57 -14.268 -13.460 -1.045 473 3HZ LYS 57 3HZ LYS 57 -15.887 -13.683 -0.836 474 H GLY 58 H GLY 58 -12.094 -9.813 -6.157 475 1HA GLY 58 2HA GLY 58 -13.194 -7.567 -4.995 476 2HA GLY 58 3HA GLY 58 -12.099 -8.224 -3.769 477 H TYR 59 H TYR 59 -11.103 -6.110 -4.200 478 HA TYR 59 HA TYR 59 -9.335 -6.027 -6.577 479 1HB TYR 59 2HB TYR 59 -10.058 -4.045 -4.341 480 2HB TYR 59 3HB TYR 59 -8.477 -3.925 -5.044 481 HD1 TYR 59 1HD TYR 59 -8.454 -4.265 -7.702 482 HD2 TYR 59 2HD TYR 59 -11.653 -2.556 -5.398 483 HE1 TYR 59 1HE TYR 59 -9.241 -3.014 -9.727 484 HE2 TYR 59 2HE TYR 59 -12.415 -1.284 -7.381 485 HH TYR 59 HH TYR 59 -12.031 -0.789 -9.610 486 H GLU 60 H GLU 60 -7.016 -5.634 -6.179 487 HA GLU 60 HA GLU 60 -6.057 -6.479 -3.603 488 1HB GLU 60 2HB GLU 60 -6.124 -8.335 -5.688 489 2HB GLU 60 3HB GLU 60 -4.569 -7.534 -5.924 490 1HG GLU 60 2HG GLU 60 -4.667 -8.226 -3.153 491 2HG GLU 60 3HG GLU 60 -5.364 -9.591 -4.013 492 H TYR 61 H TYR 61 -3.766 -5.746 -3.391 493 HA TYR 61 HA TYR 61 -2.820 -3.840 -5.480 494 1HB TYR 61 2HB TYR 61 -2.650 -3.271 -2.509 495 2HB TYR 61 3HB TYR 61 -2.271 -2.205 -3.850 496 HD1 TYR 61 1HD TYR 61 -4.775 -3.315 -1.541 497 HD2 TYR 61 2HD TYR 61 -4.300 -1.457 -5.382 498 HE1 TYR 61 1HE TYR 61 -7.076 -2.390 -1.369 499 HE2 TYR 61 2HE TYR 61 -6.643 -0.600 -5.217 500 HH TYR 61 HH TYR 61 -8.535 -0.421 -3.960 501 H GLN 62 H GLN 62 -0.674 -4.232 -5.929 502 HA GLN 62 HA GLN 62 0.788 -6.140 -4.177 503 1HB GLN 62 2HB GLN 62 0.215 -6.850 -6.506 504 2HB GLN 62 3HB GLN 62 1.145 -5.475 -7.117 505 1HG GLN 62 2HG GLN 62 2.357 -7.637 -5.340 506 2HG GLN 62 3HG GLN 62 2.269 -7.794 -7.088 507 1HE2 GLN 62 2HE2 GLN 62 3.296 -6.010 -8.419 508 2HE2 GLN 62 1HE2 GLN 62 4.777 -5.331 -7.767 509 H LEU 63 H LEU 63 2.383 -5.186 -2.995 510 HA LEU 63 HA LEU 63 3.860 -2.943 -4.159 511 1HB LEU 63 2HB LEU 63 3.575 -1.623 -2.029 512 2HB LEU 63 3HB LEU 63 2.190 -1.742 -3.112 513 HG LEU 63 HG LEU 63 1.620 -3.803 -1.412 514 1HD1 LEU 63 1HD1 LEU 63 3.599 -3.072 0.023 515 2HD1 LEU 63 2HD1 LEU 63 2.691 -1.580 0.354 516 3HD1 LEU 63 3HD1 LEU 63 2.038 -3.161 0.840 517 1HD2 LEU 63 1HD2 LEU 63 0.764 -0.941 -1.122 518 2HD2 LEU 63 2HD2 LEU 63 0.108 -2.135 -2.270 519 3HD2 LEU 63 3HD2 LEU 63 -0.069 -2.413 -0.537 520 H TYR 64 H TYR 64 5.922 -2.798 -3.577 521 HA TYR 64 HA TYR 64 6.967 -5.253 -2.289 522 1HB TYR 64 2HB TYR 64 7.771 -3.317 -4.414 523 2HB TYR 64 3HB TYR 64 9.021 -4.219 -3.565 524 HD1 TYR 64 1HD TYR 64 8.391 -6.882 -3.321 525 HD2 TYR 64 2HD TYR 64 7.168 -4.237 -6.499 526 HE1 TYR 64 1HE TYR 64 8.263 -8.797 -4.867 527 HE2 TYR 64 2HE TYR 64 7.093 -6.165 -8.059 528 HH TYR 64 HH TYR 64 7.920 -9.483 -7.043 529 H VAL 65 H VAL 65 7.458 -5.050 -0.186 530 HA VAL 65 HA VAL 65 8.252 -2.411 0.923 531 HB VAL 65 HB VAL 65 7.414 -4.990 2.255 532 1HG1 VAL 65 1HG1 VAL 65 9.016 -3.793 3.686 533 2HG1 VAL 65 2HG1 VAL 65 8.168 -2.262 3.412 534 3HG1 VAL 65 3HG1 VAL 65 7.383 -3.570 4.326 535 1HG2 VAL 65 1HG2 VAL 65 6.055 -2.258 2.033 536 2HG2 VAL 65 2HG2 VAL 65 5.602 -3.689 1.094 537 3HG2 VAL 65 3HG2 VAL 65 5.411 -3.693 2.853 538 H TYR 66 H TYR 66 10.429 -2.003 1.543 539 HA TYR 66 HA TYR 66 12.295 -4.166 0.819 540 1HB TYR 66 2HB TYR 66 12.208 -1.807 -0.283 541 2HB TYR 66 3HB TYR 66 12.967 -1.244 1.167 542 HD1 TYR 66 1HD TYR 66 13.493 -4.297 -0.931 543 HD2 TYR 66 2HD TYR 66 15.231 -0.735 0.715 544 HE1 TYR 66 1HE TYR 66 15.715 -5.000 -1.795 545 HE2 TYR 66 2HE TYR 66 17.434 -1.385 -0.207 546 HH TYR 66 HH TYR 66 18.659 -3.186 -1.084 547 H ALA 67 H ALA 67 11.834 -5.158 2.955 548 HA ALA 67 HA ALA 67 12.790 -3.578 5.319 549 1HB ALA 67 1HB ALA 67 10.426 -4.603 5.245 550 2HB ALA 67 2HB ALA 67 11.235 -6.160 5.484 551 3HB ALA 67 3HB ALA 67 11.445 -4.855 6.660 552 H SER 68 H SER 68 14.261 -4.502 6.816 553 HA SER 68 HA SER 68 16.274 -5.391 7.202 554 1HB SER 68 2HB SER 68 14.679 -7.326 7.562 555 2HB SER 68 3HB SER 68 15.237 -7.970 6.013 556 HG SER 68 HG SER 68 16.886 -7.327 8.255 557 H ASP 69 H ASP 69 15.930 -4.191 4.432 558 HA ASP 69 HA ASP 69 16.872 -4.048 2.410 559 1HB ASP 69 2HB ASP 69 18.917 -3.687 3.796 560 2HB ASP 69 3HB ASP 69 19.262 -5.418 3.693 561 H LYS 70 H LYS 70 15.078 -6.184 2.716 562 HA LYS 70 HA LYS 70 16.007 -7.824 0.438 563 1HB LYS 70 2HB LYS 70 14.492 -8.842 2.895 564 2HB LYS 70 3HB LYS 70 14.441 -9.614 1.319 565 1HG LYS 70 2HG LYS 70 15.995 -10.891 2.294 566 2HG LYS 70 3HG LYS 70 17.045 -9.736 1.455 567 1HD LYS 70 2HD LYS 70 17.492 -8.556 3.511 568 2HD LYS 70 3HD LYS 70 16.173 -9.380 4.354 569 1HE LYS 70 2HE LYS 70 17.868 -10.624 5.201 570 2HE LYS 70 3HE LYS 70 17.629 -11.567 3.725 571 1HZ LYS 70 1HZ LYS 70 19.387 -10.166 2.742 572 2HZ LYS 70 2HZ LYS 70 19.619 -9.466 4.217 573 3HZ LYS 70 3HZ LYS 70 19.902 -11.077 4.020 574 H LEU 71 H LEU 71 14.166 -8.459 -0.864 575 HA LEU 71 HA LEU 71 12.097 -6.348 -0.934 576 1HB LEU 71 2HB LEU 71 13.657 -7.871 -2.841 577 2HB LEU 71 3HB LEU 71 11.974 -8.270 -3.089 578 HG LEU 71 HG LEU 71 12.624 -5.351 -2.834 579 1HD1 LEU 71 1HD1 LEU 71 14.464 -6.047 -4.237 580 2HD1 LEU 71 2HD1 LEU 71 13.391 -7.071 -5.230 581 3HD1 LEU 71 3HD1 LEU 71 13.240 -5.299 -5.272 582 1HD2 LEU 71 1HD2 LEU 71 10.820 -6.982 -4.635 583 2HD2 LEU 71 2HD2 LEU 71 10.389 -6.091 -3.142 584 3HD2 LEU 71 3HD2 LEU 71 10.927 -5.209 -4.590 585 H PHE 72 H PHE 72 10.316 -6.792 0.309 586 HA PHE 72 HA PHE 72 9.360 -9.623 0.491 587 1HB PHE 72 2HB PHE 72 8.973 -7.173 2.226 588 2HB PHE 72 3HB PHE 72 8.032 -8.626 2.389 589 HD1 PHE 72 1HD PHE 72 10.986 -7.031 3.398 590 HD2 PHE 72 2HD PHE 72 9.322 -10.914 2.705 591 HE1 PHE 72 1HE PHE 72 12.693 -8.045 4.984 592 HE2 PHE 72 2HE PHE 72 11.015 -11.920 4.223 593 HZ PHE 72 HZ PHE 72 12.720 -10.488 5.317 594 H ARG 73 H ARG 73 7.774 -10.075 -0.914 595 HA ARG 73 HA ARG 73 6.436 -7.979 -2.411 596 1HB ARG 73 2HB ARG 73 7.072 -10.279 -3.325 597 2HB ARG 73 3HB ARG 73 5.802 -10.959 -2.301 598 1HG ARG 73 2HG ARG 73 4.163 -9.371 -3.440 599 2HG ARG 73 3HG ARG 73 5.480 -8.877 -4.513 600 1HD ARG 73 2HD ARG 73 5.759 -11.290 -5.200 601 2HD ARG 73 3HD ARG 73 4.354 -11.703 -4.188 602 HE ARG 73 HE ARG 73 3.547 -9.645 -5.917 603 1HH1 ARG 73 1HH2 ARG 73 4.600 -13.010 -6.127 604 2HH1 ARG 73 2HH2 ARG 73 3.733 -13.344 -7.599 605 1HH2 ARG 73 1HH1 ARG 73 2.402 -10.068 -7.849 606 2HH2 ARG 73 2HH1 ARG 73 2.466 -11.640 -8.597 607 H ALA 74 H ALA 74 4.712 -6.852 -1.398 608 HA ALA 74 HA ALA 74 3.211 -8.375 0.660 609 1HB ALA 74 1HB ALA 74 4.859 -6.817 1.671 610 2HB ALA 74 2HB ALA 74 4.211 -5.493 0.686 611 3HB ALA 74 3HB ALA 74 3.216 -6.220 1.936 612 H ASP 75 H ASP 75 1.037 -8.526 0.239 613 HA ASP 75 HA ASP 75 -0.028 -6.472 -1.625 614 1HB ASP 75 2HB ASP 75 -0.767 -9.416 -1.438 615 2HB ASP 75 3HB ASP 75 -1.476 -8.225 -2.526 616 H ILE 76 H ILE 76 -2.420 -6.177 -1.460 617 HA ILE 76 HA ILE 76 -3.625 -7.082 1.123 618 HB ILE 76 HB ILE 76 -3.408 -4.261 0.116 619 1HG1 ILE 76 2HG1 ILE 76 -2.300 -5.425 2.167 620 2HG1 ILE 76 3HG1 ILE 76 -2.861 -3.768 2.349 621 1HG2 ILE 76 1HG2 ILE 76 -5.849 -4.521 -0.015 622 2HG2 ILE 76 2HG2 ILE 76 -5.897 -5.270 1.576 623 3HG2 ILE 76 3HG2 ILE 76 -5.432 -3.566 1.405 624 1HD1 ILE 76 1HD1 ILE 76 -4.743 -4.468 3.638 625 2HD1 ILE 76 2HD1 ILE 76 -4.521 -6.170 3.166 626 3HD1 ILE 76 3HD1 ILE 76 -3.332 -5.394 4.202 627 H SER 77 H SER 77 -5.541 -7.994 0.710 628 HA SER 77 HA SER 77 -6.711 -7.706 -2.021 629 1HB SER 77 2HB SER 77 -6.165 -10.021 -1.426 630 2HB SER 77 3HB SER 77 -7.177 -9.857 0.035 631 HG SER 77 HG SER 77 -8.375 -10.799 -1.640 632 H GLU 78 H GLU 78 -9.031 -7.373 -2.092 633 HA GLU 78 HA GLU 78 -10.228 -6.304 0.384 634 1HB GLU 78 2HB GLU 78 -10.511 -5.258 -2.481 635 2HB GLU 78 3HB GLU 78 -11.412 -4.676 -1.087 636 1HG GLU 78 2HG GLU 78 -8.942 -4.270 -0.110 637 2HG GLU 78 3HG GLU 78 -8.545 -4.221 -1.830 638 H ASP 79 H ASP 79 -12.653 -6.062 -0.068 639 HA ASP 79 HA ASP 79 -13.665 -8.668 -1.148 640 1HB ASP 79 2HB ASP 79 -13.915 -8.149 1.328 641 2HB ASP 79 3HB ASP 79 -15.065 -6.884 0.873 642 H TYR 80 H TYR 80 -14.504 -8.403 -3.144 643 HA TYR 80 HA TYR 80 -15.276 -6.084 -4.406 644 1HB TYR 80 2HB TYR 80 -15.088 -8.567 -5.307 645 2HB TYR 80 3HB TYR 80 -16.774 -8.688 -4.884 646 HD1 TYR 80 1HD TYR 80 -18.041 -8.601 -6.878 647 HD2 TYR 80 2HD TYR 80 -14.511 -6.141 -6.549 648 HE1 TYR 80 1HE TYR 80 -18.351 -7.818 -9.210 649 HE2 TYR 80 2HE TYR 80 -14.827 -5.365 -8.858 650 HH TYR 80 HH TYR 80 -16.075 -5.558 -10.782 651 H LYS 81 H LYS 81 -17.177 -7.886 -2.085 652 HA LYS 81 HA LYS 81 -19.778 -7.060 -2.534 653 1HB LYS 81 2HB LYS 81 -18.891 -8.606 -0.757 654 2HB LYS 81 3HB LYS 81 -18.242 -7.192 0.097 655 1HG LYS 81 2HG LYS 81 -20.324 -8.118 1.063 656 2HG LYS 81 3HG LYS 81 -20.493 -6.416 0.613 657 1HD LYS 81 2HD LYS 81 -21.792 -6.922 -1.305 658 2HD LYS 81 3HD LYS 81 -21.319 -8.637 -1.302 659 1HE LYS 81 2HE LYS 81 -22.658 -9.128 0.609 660 2HE LYS 81 3HE LYS 81 -22.895 -7.412 0.997 661 1HZ LYS 81 1HZ LYS 81 -24.190 -7.168 -0.950 662 2HZ LYS 81 2HZ LYS 81 -23.927 -8.729 -1.415 663 3HZ LYS 81 3HZ LYS 81 -24.804 -8.408 -0.055 664 H THR 82 H THR 82 -17.072 -5.121 -1.628 665 HA THR 82 HA THR 82 -18.397 -2.597 -1.442 666 HB THR 82 HB THR 82 -17.863 -4.174 1.085 667 HG1 THR 82 1HG THR 82 -20.010 -3.691 -0.058 668 1HG2 THR 82 1HG2 THR 82 -16.735 -2.266 1.805 669 2HG2 THR 82 2HG2 THR 82 -17.680 -1.200 0.716 670 3HG2 THR 82 3HG2 THR 82 -18.402 -1.878 2.205 671 H ARG 83 H ARG 83 -15.689 -3.475 0.699 672 HA ARG 83 HA ARG 83 -13.503 -2.952 -0.973 673 1HB ARG 83 2HB ARG 83 -12.882 -0.702 -0.372 674 2HB ARG 83 3HB ARG 83 -14.387 -0.649 -1.255 675 1HG ARG 83 2HG ARG 83 -15.524 0.289 0.484 676 2HG ARG 83 3HG ARG 83 -14.837 -0.822 1.666 677 1HD ARG 83 2HD ARG 83 -12.658 0.531 1.492 678 2HD ARG 83 3HD ARG 83 -13.631 1.764 0.652 679 HE ARG 83 HE ARG 83 -14.883 0.946 3.106 680 1HH1 ARG 83 1HH2 ARG 83 -12.145 2.840 1.937 681 2HH1 ARG 83 2HH2 ARG 83 -11.929 3.724 3.423 682 1HH2 ARG 83 1HH1 ARG 83 -14.580 2.045 5.082 683 2HH2 ARG 83 2HH1 ARG 83 -13.341 3.258 5.244 684 H GLY 84 H GLY 84 -14.081 -4.801 1.044 685 1HA GLY 84 2HA GLY 84 -13.111 -4.055 3.640 686 2HA GLY 84 3HA GLY 84 -13.171 -5.701 2.978 687 H ARG 85 H ARG 85 -10.941 -5.231 4.510 688 HA ARG 85 HA ARG 85 -8.836 -5.284 2.435 689 1HB ARG 85 2HB ARG 85 -7.549 -4.248 4.692 690 2HB ARG 85 3HB ARG 85 -7.855 -3.458 3.155 691 1HG ARG 85 2HG ARG 85 -8.492 -2.015 4.938 692 2HG ARG 85 3HG ARG 85 -9.922 -2.446 4.012 693 1HD ARG 85 2HD ARG 85 -9.420 -4.284 6.279 694 2HD ARG 85 3HD ARG 85 -9.548 -2.604 6.813 695 HE ARG 85 HE ARG 85 -11.692 -2.673 5.260 696 1HH1 ARG 85 1HH2 ARG 85 -10.633 -5.014 7.703 697 2HH1 ARG 85 2HH2 ARG 85 -12.250 -5.465 8.160 698 1HH2 ARG 85 1HH1 ARG 85 -13.795 -3.258 5.855 699 2HH2 ARG 85 2HH1 ARG 85 -14.076 -4.465 7.078 700 H LYS 86 H LYS 86 -7.645 -7.077 2.597 701 HA LYS 86 HA LYS 86 -7.574 -8.535 5.174 702 1HB LYS 86 2HB LYS 86 -8.420 -9.475 2.482 703 2HB LYS 86 3HB LYS 86 -7.249 -10.517 3.287 704 1HG LYS 86 2HG LYS 86 -9.934 -9.673 4.453 705 2HG LYS 86 3HG LYS 86 -9.501 -11.228 3.746 706 1HD LYS 86 2HD LYS 86 -9.157 -11.827 5.883 707 2HD LYS 86 3HD LYS 86 -7.548 -11.204 5.578 708 1HE LYS 86 2HE LYS 86 -7.798 -9.586 7.197 709 2HE LYS 86 3HE LYS 86 -9.346 -9.050 6.542 710 1HZ LYS 86 1HZ LYS 86 -10.377 -10.908 7.653 711 2HZ LYS 86 2HZ LYS 86 -8.934 -11.347 8.315 712 3HZ LYS 86 3HZ LYS 86 -9.616 -9.898 8.709 713 H LEU 87 H LEU 87 -5.745 -8.933 5.939 714 HA LEU 87 HA LEU 87 -3.331 -7.952 5.036 715 1HB LEU 87 2HB LEU 87 -4.150 -8.696 7.356 716 2HB LEU 87 3HB LEU 87 -3.669 -10.333 6.927 717 HG LEU 87 HG LEU 87 -1.859 -7.875 6.941 718 1HD1 LEU 87 1HD1 LEU 87 -2.773 -8.761 9.241 719 2HD1 LEU 87 2HD1 LEU 87 -1.748 -10.163 8.952 720 3HD1 LEU 87 3HD1 LEU 87 -1.029 -8.543 9.057 721 1HD2 LEU 87 1HD2 LEU 87 -1.253 -10.896 6.733 722 2HD2 LEU 87 2HD2 LEU 87 -0.959 -9.706 5.464 723 3HD2 LEU 87 3HD2 LEU 87 -0.017 -9.650 6.936 724 H LEU 88 H LEU 88 -2.467 -8.517 3.118 725 HA LEU 88 HA LEU 88 -1.619 -11.340 2.718 726 1HB LEU 88 2HB LEU 88 -3.307 -9.595 1.028 727 2HB LEU 88 3HB LEU 88 -1.908 -10.187 0.163 728 HG LEU 88 HG LEU 88 -3.479 -12.192 1.774 729 1HD1 LEU 88 1HD1 LEU 88 -5.190 -10.928 0.623 730 2HD1 LEU 88 2HD1 LEU 88 -4.320 -11.135 -0.927 731 3HD1 LEU 88 3HD1 LEU 88 -5.014 -12.543 -0.086 732 1HD2 LEU 88 1HD2 LEU 88 -2.105 -12.269 -0.964 733 2HD2 LEU 88 2HD2 LEU 88 -1.340 -12.783 0.554 734 3HD2 LEU 88 3HD2 LEU 88 -2.752 -13.659 -0.074 735 H ARG 89 H ARG 89 -0.482 -8.698 3.868 736 HA ARG 89 HA ARG 89 1.651 -8.023 2.060 737 1HB ARG 89 2HB ARG 89 2.641 -7.284 4.486 738 2HB ARG 89 3HB ARG 89 1.763 -6.246 3.421 739 1HG ARG 89 2HG ARG 89 0.440 -7.898 5.521 740 2HG ARG 89 3HG ARG 89 1.132 -6.310 5.818 741 1HD ARG 89 2HD ARG 89 -1.090 -6.756 3.735 742 2HD ARG 89 3HD ARG 89 -1.338 -6.208 5.386 743 HE ARG 89 HE ARG 89 -0.497 -4.162 4.931 744 1HH1 ARG 89 1HH2 ARG 89 -0.140 -6.141 1.968 745 2HH1 ARG 89 2HH2 ARG 89 0.431 -4.795 1.021 746 1HH2 ARG 89 1HH1 ARG 89 0.053 -2.412 3.587 747 2HH2 ARG 89 2HH1 ARG 89 0.392 -2.676 1.899 748 H PHE 90 H PHE 90 3.846 -8.500 2.441 749 HA PHE 90 HA PHE 90 5.721 -9.566 3.278 750 1HB PHE 90 2HB PHE 90 3.781 -9.777 5.517 751 2HB PHE 90 3HB PHE 90 4.966 -11.047 5.489 752 HD1 PHE 90 1HD PHE 90 4.369 -7.489 5.992 753 HD2 PHE 90 2HD PHE 90 7.308 -10.640 5.922 754 HE1 PHE 90 1HE PHE 90 5.881 -6.096 7.342 755 HE2 PHE 90 2HE PHE 90 8.795 -9.273 7.346 756 HZ PHE 90 HZ PHE 90 8.079 -7.005 8.055 757 H ASN 91 H ASN 91 5.455 -10.747 1.225 758 HA ASN 91 HA ASN 91 5.303 -13.643 1.767 759 1HB ASN 91 2HB ASN 91 3.120 -12.603 0.780 760 2HB ASN 91 3HB ASN 91 4.083 -12.366 -0.689 761 1HD2 ASN 91 2HD2 ASN 91 3.002 -13.910 -2.017 762 2HD2 ASN 91 1HD2 ASN 91 2.975 -15.619 -1.612 763 H GLY 92 H GLY 92 6.175 -14.862 -0.161 764 1HA GLY 92 2HA GLY 92 7.816 -14.979 -1.912 765 2HA GLY 92 3HA GLY 92 8.563 -13.496 -1.334 766 HA PRO 93 HA PRO 93 9.920 -12.705 0.398 767 1HB PRO 93 2HB PRO 93 12.590 -12.766 0.928 768 2HB PRO 93 3HB PRO 93 11.358 -13.052 2.188 769 1HG PRO 93 2HG PRO 93 12.867 -15.151 0.609 770 2HG PRO 93 3HG PRO 93 12.690 -15.041 2.387 771 1HD PRO 93 2HD PRO 93 11.054 -16.616 0.872 772 2HD PRO 93 3HD PRO 93 10.410 -15.725 2.277 773 H VAL 94 H VAL 94 11.386 -11.368 -1.064 774 HA VAL 94 HA VAL 94 11.926 -12.822 -3.604 775 HB VAL 94 HB VAL 94 10.787 -10.073 -3.064 776 1HG1 VAL 94 1HG1 VAL 94 12.419 -9.819 -4.889 777 2HG1 VAL 94 2HG1 VAL 94 11.717 -11.222 -5.723 778 3HG1 VAL 94 3HG1 VAL 94 10.769 -9.735 -5.496 779 1HG2 VAL 94 1HG2 VAL 94 9.744 -12.546 -4.456 780 2HG2 VAL 94 2HG2 VAL 94 9.144 -11.794 -2.957 781 3HG2 VAL 94 3HG2 VAL 94 8.970 -10.954 -4.505 782 HA PRO 95 HA PRO 95 16.036 -11.307 -2.539 783 1HB PRO 95 2HB PRO 95 17.467 -12.299 -4.660 784 2HB PRO 95 3HB PRO 95 16.886 -13.314 -3.307 785 1HG PRO 95 2HG PRO 95 15.599 -12.920 -6.016 786 2HG PRO 95 3HG PRO 95 15.892 -14.460 -5.154 787 1HD PRO 95 2HD PRO 95 13.487 -13.162 -5.125 788 2HD PRO 95 3HD PRO 95 14.063 -14.080 -3.698 789 HA PRO 96 HA PRO 96 15.879 -7.624 -4.970 790 1HB PRO 96 2HB PRO 96 18.374 -6.507 -4.619 791 2HB PRO 96 3HB PRO 96 17.163 -6.626 -3.310 792 1HG PRO 96 2HG PRO 96 19.444 -8.534 -3.896 793 2HG PRO 96 3HG PRO 96 19.023 -7.785 -2.326 794 1HD PRO 96 2HD PRO 96 18.212 -10.303 -2.984 795 2HD PRO 96 3HD PRO 96 17.132 -9.203 -2.072 796 HA PRO 97 HA PRO 97 17.663 -8.663 -8.934 797 1HB PRO 97 2HB PRO 97 17.288 -6.386 -10.367 798 2HB PRO 97 3HB PRO 97 15.921 -7.344 -9.734 799 1HG PRO 97 2HG PRO 97 17.149 -4.869 -8.480 800 2HG PRO 97 3HG PRO 97 15.425 -5.193 -8.803 801 1HD PRO 97 2HD PRO 97 16.580 -5.663 -6.359 802 2HD PRO 97 3HD PRO 97 15.277 -6.702 -7.011 Start of MODEL 3 1 1H MET 1 1H MET 1 -12.410 -6.919 -19.979 2 2H MET 1 2H MET 1 -11.523 -6.189 -18.796 3 3H MET 1 3H MET 1 -12.884 -7.027 -18.407 4 HA MET 1 HA MET 1 -11.967 -9.077 -19.006 5 1HB MET 1 2HB MET 1 -9.484 -7.485 -19.803 6 2HB MET 1 3HB MET 1 -9.622 -9.250 -19.729 7 1HG MET 1 2HG MET 1 -11.526 -9.070 -21.404 8 2HG MET 1 3HG MET 1 -11.090 -7.363 -21.601 9 1HE MET 1 1HE MET 1 -11.341 -9.373 -24.003 10 2HE MET 1 2HE MET 1 -10.829 -7.679 -24.217 11 3HE MET 1 3HE MET 1 -9.878 -8.994 -24.942 12 H GLY 2 H GLY 2 -9.657 -6.637 -17.735 13 1HA GLY 2 2HA GLY 2 -9.790 -6.675 -15.106 14 2HA GLY 2 3HA GLY 2 -9.100 -8.295 -15.344 15 H GLU 3 H GLU 3 -6.937 -8.487 -15.902 16 HA GLU 3 HA GLU 3 -4.821 -7.981 -16.277 17 1HB GLU 3 2HB GLU 3 -6.089 -6.476 -18.163 18 2HB GLU 3 3HB GLU 3 -5.279 -5.181 -17.296 19 1HG GLU 3 2HG GLU 3 -3.664 -7.617 -18.156 20 2HG GLU 3 3HG GLU 3 -4.258 -6.524 -19.398 21 H TRP 4 H TRP 4 -3.186 -5.991 -15.764 22 HA TRP 4 HA TRP 4 -3.682 -5.273 -12.930 23 1HB TRP 4 2HB TRP 4 -1.131 -5.167 -14.577 24 2HB TRP 4 3HB TRP 4 -1.299 -4.703 -12.912 25 HD1 TRP 4 HD TRP 4 -2.085 -7.984 -14.875 26 HE1 TRP 4 1HE TRP 4 -1.416 -9.961 -13.423 27 HE3 TRP 4 3HE TRP 4 -0.318 -5.422 -10.852 28 HZ2 TRP 4 2HZ TRP 4 -0.283 -10.397 -10.778 29 HZ3 TRP 4 3HZ TRP 4 0.609 -6.626 -8.890 30 HH2 TRP 4 HH TRP 4 0.554 -9.122 -8.814 31 H GLU 5 H GLU 5 -3.050 -3.060 -12.281 32 HA GLU 5 HA GLU 5 -3.326 -0.950 -14.334 33 1HB GLU 5 2HB GLU 5 -5.282 -1.563 -12.099 34 2HB GLU 5 3HB GLU 5 -5.062 0.076 -12.662 35 1HG GLU 5 2HG GLU 5 -5.720 -0.540 -14.945 36 2HG GLU 5 3HG GLU 5 -5.881 -2.238 -14.468 37 H ILE 6 H ILE 6 -3.167 1.181 -13.247 38 HA ILE 6 HA ILE 6 -0.764 1.272 -11.672 39 HB ILE 6 HB ILE 6 -0.961 3.673 -11.799 40 1HG1 ILE 6 2HG1 ILE 6 -2.979 4.514 -13.318 41 2HG1 ILE 6 3HG1 ILE 6 -3.841 3.162 -12.581 42 1HG2 ILE 6 1HG2 ILE 6 -0.161 2.364 -13.761 43 2HG2 ILE 6 2HG2 ILE 6 -1.791 2.461 -14.464 44 3HG2 ILE 6 3HG2 ILE 6 -0.850 3.938 -14.188 45 1HD1 ILE 6 1HD1 ILE 6 -3.390 4.154 -10.327 46 2HD1 ILE 6 2HD1 ILE 6 -2.414 5.426 -11.091 47 3HD1 ILE 6 3HD1 ILE 6 -4.157 5.329 -11.397 48 H ILE 7 H ILE 7 -0.531 2.197 -9.581 49 HA ILE 7 HA ILE 7 -2.759 1.540 -7.748 50 HB ILE 7 HB ILE 7 -0.440 0.564 -7.580 51 1HG1 ILE 7 2HG1 ILE 7 -0.598 1.879 -4.963 52 2HG1 ILE 7 3HG1 ILE 7 -2.177 1.301 -5.514 53 1HG2 ILE 7 1HG2 ILE 7 0.822 2.652 -8.143 54 2HG2 ILE 7 2HG2 ILE 7 0.351 3.334 -6.574 55 3HG2 ILE 7 3HG2 ILE 7 1.351 1.887 -6.642 56 1HD1 ILE 7 1HD1 ILE 7 -1.269 -0.945 -5.904 57 2HD1 ILE 7 2HD1 ILE 7 0.344 -0.393 -5.402 58 3HD1 ILE 7 3HD1 ILE 7 -0.990 -0.417 -4.233 59 H ASP 8 H ASP 8 -3.494 3.126 -6.197 60 HA ASP 8 HA ASP 8 -3.108 5.937 -6.999 61 1HB ASP 8 2HB ASP 8 -4.835 4.545 -4.937 62 2HB ASP 8 3HB ASP 8 -4.576 6.292 -4.903 63 H ILE 9 H ILE 9 -2.202 7.504 -5.681 64 HA ILE 9 HA ILE 9 -0.144 6.576 -3.718 65 HB ILE 9 HB ILE 9 -0.195 8.893 -5.694 66 1HG1 ILE 9 2HG1 ILE 9 0.201 6.688 -6.774 67 2HG1 ILE 9 3HG1 ILE 9 1.566 7.783 -6.892 68 1HG2 ILE 9 1HG2 ILE 9 1.136 9.769 -3.958 69 2HG2 ILE 9 2HG2 ILE 9 1.921 8.195 -3.640 70 3HG2 ILE 9 3HG2 ILE 9 2.278 9.114 -5.114 71 1HD1 ILE 9 1HD1 ILE 9 2.752 6.572 -5.093 72 2HD1 ILE 9 2HD1 ILE 9 1.368 5.470 -4.909 73 3HD1 ILE 9 3HD1 ILE 9 2.291 5.495 -6.415 74 H GLY 10 H GLY 10 0.455 8.717 -2.332 75 1HA GLY 10 2HA GLY 10 -0.197 10.396 -0.917 76 2HA GLY 10 3HA GLY 10 -1.796 10.429 -1.657 77 HA PRO 11 HA PRO 11 -2.583 8.526 2.428 78 1HB PRO 11 2HB PRO 11 -5.295 8.147 2.259 79 2HB PRO 11 3HB PRO 11 -4.540 9.735 2.574 80 1HG PRO 11 2HG PRO 11 -5.509 8.643 -0.077 81 2HG PRO 11 3HG PRO 11 -5.833 10.252 0.628 82 1HD PRO 11 2HD PRO 11 -3.884 9.866 -1.212 83 2HD PRO 11 3HD PRO 11 -3.621 10.998 0.149 84 H PHE 12 H PHE 12 -3.651 7.243 -0.713 85 HA PHE 12 HA PHE 12 -4.511 4.721 0.142 86 1HB PHE 12 2HB PHE 12 -4.710 5.964 -2.140 87 2HB PHE 12 3HB PHE 12 -3.180 5.219 -2.540 88 HD1 PHE 12 1HD PHE 12 -3.116 2.831 -3.149 89 HD2 PHE 12 2HD PHE 12 -6.728 4.647 -1.631 90 HE1 PHE 12 1HE PHE 12 -4.461 0.978 -4.096 91 HE2 PHE 12 2HE PHE 12 -8.063 2.798 -2.596 92 HZ PHE 12 HZ PHE 12 -6.952 0.998 -3.866 93 H THR 13 H THR 13 -1.304 5.377 -1.400 94 HA THR 13 HA THR 13 -0.234 2.816 -0.904 95 HB THR 13 HB THR 13 0.700 4.466 -2.466 96 HG1 THR 13 1HG THR 13 2.457 3.363 -0.544 97 1HG2 THR 13 1HG2 THR 13 0.691 6.498 -1.004 98 2HG2 THR 13 2HG2 THR 13 2.005 5.785 -0.042 99 3HG2 THR 13 3HG2 THR 13 2.262 6.170 -1.748 100 H GLN 14 H GLN 14 -0.355 5.741 1.106 101 HA GLN 14 HA GLN 14 1.205 4.714 3.257 102 1HB GLN 14 2HB GLN 14 -0.420 7.091 2.658 103 2HB GLN 14 3HB GLN 14 -0.644 6.565 4.312 104 1HG GLN 14 2HG GLN 14 1.720 6.716 4.776 105 2HG GLN 14 3HG GLN 14 2.122 6.829 3.055 106 1HE2 GLN 14 2HE2 GLN 14 2.574 8.856 2.300 107 2HE2 GLN 14 1HE2 GLN 14 2.005 10.333 3.056 108 H ASN 15 H ASN 15 -2.329 4.502 2.625 109 HA ASN 15 HA ASN 15 -3.043 3.392 5.132 110 1HB ASN 15 2HB ASN 15 -4.258 3.121 2.335 111 2HB ASN 15 3HB ASN 15 -4.899 2.273 3.718 112 1HD2 ASN 15 2HD2 ASN 15 -4.999 3.971 5.806 113 2HD2 ASN 15 1HD2 ASN 15 -5.999 5.344 5.371 114 H LEU 16 H LEU 16 -2.216 1.777 2.039 115 HA LEU 16 HA LEU 16 -2.249 -0.903 3.159 116 1HB LEU 16 2HB LEU 16 -0.608 0.202 0.842 117 2HB LEU 16 3HB LEU 16 -0.935 -1.484 1.176 118 HG LEU 16 HG LEU 16 -3.504 -0.115 0.966 119 1HD1 LEU 16 1HD1 LEU 16 -1.896 1.419 -0.474 120 2HD1 LEU 16 2HD1 LEU 16 -2.026 0.118 -1.649 121 3HD1 LEU 16 3HD1 LEU 16 -3.489 0.937 -1.066 122 1HD2 LEU 16 1HD2 LEU 16 -3.680 -1.591 -1.108 123 2HD2 LEU 16 2HD2 LEU 16 -2.196 -2.360 -0.519 124 3HD2 LEU 16 3HD2 LEU 16 -3.650 -2.307 0.498 125 H ALA 17 H ALA 17 0.490 1.441 2.800 126 HA ALA 17 HA ALA 17 2.474 -0.270 3.856 127 1HB ALA 17 1HB ALA 17 2.926 1.838 2.688 128 2HB ALA 17 2HB ALA 17 2.207 2.753 4.031 129 3HB ALA 17 3HB ALA 17 3.700 1.827 4.290 130 H LYS 18 H LYS 18 0.376 2.084 5.555 131 HA LYS 18 HA LYS 18 1.205 1.653 8.193 132 1HB LYS 18 2HB LYS 18 -1.198 2.754 6.827 133 2HB LYS 18 3HB LYS 18 -1.583 2.005 8.349 134 1HG LYS 18 2HG LYS 18 0.645 4.065 8.100 135 2HG LYS 18 3HG LYS 18 -1.051 4.468 8.428 136 1HD LYS 18 2HD LYS 18 -1.026 2.855 10.361 137 2HD LYS 18 3HD LYS 18 0.725 2.669 10.151 138 1HE LYS 18 2HE LYS 18 1.084 5.027 10.661 139 2HE LYS 18 3HE LYS 18 -0.662 5.347 10.633 140 1HZ LYS 18 1HZ LYS 18 -0.921 3.911 12.503 141 2HZ LYS 18 2HZ LYS 18 0.697 3.603 12.560 142 3HZ LYS 18 3HZ LYS 18 0.135 5.126 12.851 143 H PHE 19 H PHE 19 -1.526 0.122 6.427 144 HA PHE 19 HA PHE 19 -2.348 -1.619 8.372 145 1HB PHE 19 2HB PHE 19 -3.390 -1.195 6.114 146 2HB PHE 19 3HB PHE 19 -2.190 -2.253 5.399 147 HD1 PHE 19 1HD PHE 19 -3.564 -3.971 4.500 148 HD2 PHE 19 2HD PHE 19 -4.303 -2.659 8.540 149 HE1 PHE 19 1HE PHE 19 -4.966 -5.973 4.893 150 HE2 PHE 19 2HE PHE 19 -5.885 -4.527 8.837 151 HZ PHE 19 HZ PHE 19 -6.074 -6.291 7.118 152 H ALA 20 H ALA 20 0.166 -2.288 5.903 153 HA ALA 20 HA ALA 20 1.025 -4.797 6.744 154 1HB ALA 20 1HB ALA 20 1.943 -3.636 4.771 155 2HB ALA 20 2HB ALA 20 2.942 -2.649 5.866 156 3HB ALA 20 3HB ALA 20 3.156 -4.404 5.806 157 H VAL 21 H VAL 21 2.126 -1.686 8.246 158 HA VAL 21 HA VAL 21 3.797 -3.244 10.104 159 HB VAL 21 HB VAL 21 3.241 -0.252 10.003 160 1HG1 VAL 21 1HG1 VAL 21 4.100 -1.078 12.224 161 2HG1 VAL 21 2HG1 VAL 21 5.395 -1.955 11.391 162 3HG1 VAL 21 3HG1 VAL 21 5.368 -0.184 11.370 163 1HG2 VAL 21 1HG2 VAL 21 5.473 -1.931 8.838 164 2HG2 VAL 21 2HG2 VAL 21 4.325 -0.911 7.945 165 3HG2 VAL 21 3HG2 VAL 21 5.550 -0.169 8.985 166 H ASP 22 H ASP 22 1.151 -0.880 10.403 167 HA ASP 22 HA ASP 22 0.538 -0.800 13.060 168 1HB ASP 22 2HB ASP 22 -0.613 0.567 11.414 169 2HB ASP 22 3HB ASP 22 -1.286 -0.863 10.617 170 H GLU 23 H GLU 23 -0.775 -3.147 10.744 171 HA GLU 23 HA GLU 23 -2.548 -4.331 12.663 172 1HB GLU 23 2HB GLU 23 -2.760 -4.081 10.125 173 2HB GLU 23 3HB GLU 23 -1.657 -5.454 9.974 174 1HG GLU 23 2HG GLU 23 -4.239 -5.431 11.576 175 2HG GLU 23 3HG GLU 23 -4.154 -5.855 9.853 176 H GLU 24 H GLU 24 0.485 -5.299 11.070 177 HA GLU 24 HA GLU 24 0.877 -7.765 12.409 178 1HB GLU 24 2HB GLU 24 2.275 -7.281 10.539 179 2HB GLU 24 3HB GLU 24 2.811 -5.736 11.193 180 1HG GLU 24 2HG GLU 24 4.473 -7.541 11.311 181 2HG GLU 24 3HG GLU 24 4.135 -6.722 12.848 182 H ASN 25 H ASN 25 1.674 -4.399 13.352 183 HA ASN 25 HA ASN 25 2.978 -5.037 15.787 184 1HB ASN 25 2HB ASN 25 2.511 -2.707 14.384 185 2HB ASN 25 3HB ASN 25 1.372 -2.505 15.709 186 1HD2 ASN 25 2HD2 ASN 25 4.791 -3.244 14.923 187 2HD2 ASN 25 1HD2 ASN 25 5.445 -2.542 16.394 188 H LYS 26 H LYS 26 -0.407 -4.265 15.073 189 HA LYS 26 HA LYS 26 -1.498 -4.326 17.649 190 1HB LYS 26 2HB LYS 26 -2.568 -3.377 15.737 191 2HB LYS 26 3HB LYS 26 -2.682 -4.920 14.912 192 1HG LYS 26 2HG LYS 26 -4.112 -4.458 17.554 193 2HG LYS 26 3HG LYS 26 -4.751 -3.863 16.015 194 1HD LYS 26 2HD LYS 26 -4.472 -6.273 15.117 195 2HD LYS 26 3HD LYS 26 -4.312 -6.754 16.819 196 1HE LYS 26 2HE LYS 26 -6.534 -5.650 17.272 197 2HE LYS 26 3HE LYS 26 -6.657 -5.259 15.545 198 1HZ LYS 26 1HZ LYS 26 -6.564 -7.607 15.080 199 2HZ LYS 26 2HZ LYS 26 -6.518 -7.953 16.691 200 3HZ LYS 26 3HZ LYS 26 -7.848 -7.228 16.042 201 H ILE 27 H ILE 27 -0.878 -7.037 15.392 202 HA ILE 27 HA ILE 27 -1.929 -8.954 17.419 203 HB ILE 27 HB ILE 27 -0.938 -9.328 14.585 204 1HG1 ILE 27 2HG1 ILE 27 -3.169 -8.244 14.818 205 2HG1 ILE 27 3HG1 ILE 27 -3.203 -9.801 14.003 206 1HG2 ILE 27 1HG2 ILE 27 -0.330 -11.313 15.794 207 2HG2 ILE 27 2HG2 ILE 27 -1.882 -11.378 16.622 208 3HG2 ILE 27 3HG2 ILE 27 -1.794 -11.677 14.868 209 1HD1 ILE 27 1HD1 ILE 27 -4.085 -10.901 16.022 210 2HD1 ILE 27 2HD1 ILE 27 -4.027 -9.363 16.913 211 3HD1 ILE 27 3HD1 ILE 27 -5.105 -9.549 15.526 212 H GLY 28 H GLY 28 1.159 -8.684 15.588 213 1HA GLY 28 2HA GLY 28 3.307 -9.071 16.383 214 2HA GLY 28 3HA GLY 28 2.680 -9.682 17.909 215 H GLN 29 H GLN 29 2.643 -10.452 14.486 216 HA GLN 29 HA GLN 29 2.984 -13.395 15.006 217 1HB GLN 29 2HB GLN 29 2.056 -12.086 12.420 218 2HB GLN 29 3HB GLN 29 2.437 -13.798 12.641 219 1HG GLN 29 2HG GLN 29 0.184 -12.248 13.919 220 2HG GLN 29 3HG GLN 29 0.057 -13.442 12.642 221 1HE2 GLN 29 2HE2 GLN 29 1.032 -13.138 16.131 222 2HE2 GLN 29 1HE2 GLN 29 0.563 -14.781 16.503 223 H TYR 30 H TYR 30 3.993 -11.200 12.379 224 HA TYR 30 HA TYR 30 6.620 -12.626 12.371 225 1HB TYR 30 2HB TYR 30 6.759 -11.520 10.047 226 2HB TYR 30 3HB TYR 30 5.759 -12.936 10.305 227 HD1 TYR 30 1HD TYR 30 5.708 -9.378 9.406 228 HD2 TYR 30 2HD TYR 30 3.313 -12.851 10.264 229 HE1 TYR 30 1HE TYR 30 3.679 -8.174 8.632 230 HE2 TYR 30 2HE TYR 30 1.288 -11.640 9.536 231 HH TYR 30 HH TYR 30 0.448 -9.606 9.033 232 H GLY 31 H GLY 31 5.492 -9.340 11.618 233 1HA GLY 31 2HA GLY 31 6.269 -7.377 12.903 234 2HA GLY 31 3HA GLY 31 7.802 -8.184 13.147 235 H ARG 32 H ARG 32 6.201 -5.947 11.113 236 HA ARG 32 HA ARG 32 7.838 -6.272 8.799 237 1HB ARG 32 2HB ARG 32 5.656 -5.135 8.825 238 2HB ARG 32 3HB ARG 32 6.327 -3.852 9.832 239 1HG ARG 32 2HG ARG 32 7.440 -2.868 8.145 240 2HG ARG 32 3HG ARG 32 7.919 -4.396 7.394 241 1HD ARG 32 2HD ARG 32 6.297 -4.322 5.844 242 2HD ARG 32 3HD ARG 32 5.064 -4.043 7.057 243 HE ARG 32 HE ARG 32 4.821 -2.048 6.161 244 1HH1 ARG 32 1HH2 ARG 32 8.306 -2.547 6.096 245 2HH1 ARG 32 2HH2 ARG 32 8.647 -0.920 5.547 246 1HH2 ARG 32 1HH1 ARG 32 5.240 0.045 5.606 247 2HH2 ARG 32 2HH1 ARG 32 6.866 0.594 5.303 248 H LEU 33 H LEU 33 9.663 -6.793 10.224 249 HA LEU 33 HA LEU 33 11.778 -6.302 11.014 250 1HB LEU 33 2HB LEU 33 11.464 -4.819 8.400 251 2HB LEU 33 3HB LEU 33 13.030 -5.147 9.170 252 HG LEU 33 HG LEU 33 12.644 -6.688 7.432 253 1HD1 LEU 33 1HD1 LEU 33 13.756 -7.439 9.615 254 2HD1 LEU 33 2HD1 LEU 33 12.255 -8.291 9.990 255 3HD1 LEU 33 3HD1 LEU 33 13.166 -8.725 8.536 256 1HD2 LEU 33 1HD2 LEU 33 10.315 -7.993 8.797 257 2HD2 LEU 33 2HD2 LEU 33 10.064 -6.716 7.581 258 3HD2 LEU 33 3HD2 LEU 33 10.910 -8.218 7.161 259 H THR 34 H THR 34 12.678 -3.341 9.918 260 HA THR 34 HA THR 34 11.657 -1.886 12.323 261 HB THR 34 HB THR 34 14.539 -2.401 11.613 262 HG1 THR 34 1HG THR 34 12.787 -3.582 13.195 263 1HG2 THR 34 1HG2 THR 34 14.413 -0.056 12.274 264 2HG2 THR 34 2HG2 THR 34 13.371 -0.463 13.659 265 3HG2 THR 34 3HG2 THR 34 15.063 -1.003 13.618 266 H PHE 35 H PHE 35 10.438 -0.533 11.186 267 HA PHE 35 HA PHE 35 9.891 0.918 9.408 268 1HB PHE 35 2HB PHE 35 11.206 2.026 11.819 269 2HB PHE 35 3HB PHE 35 11.068 3.159 10.496 270 HD1 PHE 35 1HD PHE 35 9.130 1.321 13.015 271 HD2 PHE 35 2HD PHE 35 8.927 3.780 9.473 272 HE1 PHE 35 1HE PHE 35 6.756 1.848 13.506 273 HE2 PHE 35 2HE PHE 35 6.559 4.304 9.974 274 HZ PHE 35 HZ PHE 35 5.471 3.347 11.995 275 H ASN 36 H ASN 36 11.074 -0.072 7.684 276 HA ASN 36 HA ASN 36 13.667 1.066 6.988 277 1HB ASN 36 2HB ASN 36 12.243 -1.004 5.316 278 2HB ASN 36 3HB ASN 36 13.959 -0.756 5.601 279 1HD2 ASN 36 2HD2 ASN 36 10.830 -1.793 6.973 280 2HD2 ASN 36 1HD2 ASN 36 11.476 -2.889 8.164 281 H LYS 37 H LYS 37 11.323 0.248 4.419 282 HA LYS 37 HA LYS 37 10.074 2.667 4.040 283 1HB LYS 37 2HB LYS 37 12.830 2.815 3.161 284 2HB LYS 37 3HB LYS 37 11.839 2.731 1.715 285 1HG LYS 37 2HG LYS 37 10.484 4.618 2.458 286 2HG LYS 37 3HG LYS 37 11.313 4.657 4.024 287 1HD LYS 37 2HD LYS 37 13.129 5.736 3.234 288 2HD LYS 37 3HD LYS 37 13.167 4.833 1.712 289 1HE LYS 37 2HE LYS 37 11.395 6.189 0.760 290 2HE LYS 37 3HE LYS 37 11.137 7.039 2.298 291 1HZ LYS 37 1HZ LYS 37 13.289 7.974 2.112 292 2HZ LYS 37 2HZ LYS 37 13.626 7.121 0.743 293 3HZ LYS 37 3HZ LYS 37 12.458 8.283 0.724 294 H VAL 38 H VAL 38 9.438 2.698 1.457 295 HA VAL 38 HA VAL 38 8.953 -0.025 0.460 296 HB VAL 38 HB VAL 38 7.048 0.598 1.774 297 1HG1 VAL 38 1HG1 VAL 38 7.225 3.028 1.915 298 2HG1 VAL 38 2HG1 VAL 38 6.836 3.185 0.190 299 3HG1 VAL 38 3HG1 VAL 38 5.629 2.567 1.324 300 1HG2 VAL 38 1HG2 VAL 38 6.284 1.096 -1.138 301 2HG2 VAL 38 2HG2 VAL 38 6.632 -0.510 -0.472 302 3HG2 VAL 38 3HG2 VAL 38 5.256 0.423 0.135 303 H ILE 39 H ILE 39 8.975 -0.099 -1.858 304 HA ILE 39 HA ILE 39 10.228 2.300 -3.057 305 HB ILE 39 HB ILE 39 10.863 0.927 -4.849 306 1HG1 ILE 39 2HG1 ILE 39 10.074 -1.683 -4.485 307 2HG1 ILE 39 3HG1 ILE 39 8.605 -0.819 -4.018 308 1HG2 ILE 39 1HG2 ILE 39 12.121 0.612 -2.712 309 2HG2 ILE 39 2HG2 ILE 39 11.147 -0.840 -2.389 310 3HG2 ILE 39 3HG2 ILE 39 12.203 -0.777 -3.808 311 1HD1 ILE 39 1HD1 ILE 39 8.678 0.385 -6.220 312 2HD1 ILE 39 2HD1 ILE 39 10.141 -0.540 -6.632 313 3HD1 ILE 39 3HD1 ILE 39 8.592 -1.374 -6.400 314 H ARG 40 H ARG 40 9.320 2.979 -5.276 315 HA ARG 40 HA ARG 40 6.553 2.424 -5.763 316 1HB ARG 40 2HB ARG 40 7.512 4.942 -4.470 317 2HB ARG 40 3HB ARG 40 6.386 5.193 -5.784 318 1HG ARG 40 2HG ARG 40 4.597 4.128 -4.745 319 2HG ARG 40 3HG ARG 40 5.612 3.184 -3.664 320 1HD ARG 40 2HD ARG 40 5.216 6.183 -3.456 321 2HD ARG 40 3HD ARG 40 4.432 4.952 -2.469 322 HE ARG 40 HE ARG 40 6.519 4.247 -1.553 323 1HH1 ARG 40 1HH2 ARG 40 6.728 7.401 -3.175 324 2HH1 ARG 40 2HH2 ARG 40 8.337 7.718 -2.600 325 1HH2 ARG 40 1HH1 ARG 40 8.685 4.583 -0.998 326 2HH2 ARG 40 2HH1 ARG 40 9.407 6.152 -1.236 327 HA PRO 41 HA PRO 41 5.060 3.857 -7.166 328 1HB PRO 41 2HB PRO 41 4.005 3.468 -9.630 329 2HB PRO 41 3HB PRO 41 4.684 5.038 -9.112 330 1HG PRO 41 2HG PRO 41 6.057 2.884 -10.740 331 2HG PRO 41 3HG PRO 41 5.962 4.634 -11.099 332 1HD PRO 41 2HD PRO 41 8.132 3.497 -9.846 333 2HD PRO 41 3HD PRO 41 7.574 5.143 -9.432 334 H CYS 42 H CYS 42 3.358 2.198 -7.423 335 HA CYS 42 HA CYS 42 4.423 -0.600 -7.568 336 1HB CYS 42 2HB CYS 42 2.734 0.773 -5.459 337 2HB CYS 42 3HB CYS 42 2.721 -0.980 -5.656 338 HG CYS 42 HG CYS 42 4.308 0.012 -3.683 339 H MET 43 H MET 43 2.044 -2.007 -7.420 340 HA MET 43 HA MET 43 0.385 -0.884 -9.609 341 1HB MET 43 2HB MET 43 2.557 -1.994 -10.468 342 2HB MET 43 3HB MET 43 1.861 -3.525 -9.911 343 1HG MET 43 2HG MET 43 0.003 -3.256 -11.483 344 2HG MET 43 3HG MET 43 0.493 -1.598 -11.837 345 1HE MET 43 1HE MET 43 3.233 -4.433 -11.585 346 2HE MET 43 2HE MET 43 1.808 -5.350 -12.144 347 3HE MET 43 3HE MET 43 3.181 -5.077 -13.238 348 H LYS 44 H LYS 44 -1.593 -2.010 -9.936 349 HA LYS 44 HA LYS 44 -2.307 -3.908 -7.739 350 1HB LYS 44 2HB LYS 44 -4.344 -2.871 -7.418 351 2HB LYS 44 3HB LYS 44 -3.208 -1.517 -7.514 352 1HG LYS 44 2HG LYS 44 -3.967 -0.937 -9.727 353 2HG LYS 44 3HG LYS 44 -4.901 -2.437 -9.892 354 1HD LYS 44 2HD LYS 44 -6.303 -1.813 -7.962 355 2HD LYS 44 3HD LYS 44 -5.462 -0.243 -7.891 356 1HE LYS 44 2HE LYS 44 -6.270 0.321 -10.146 357 2HE LYS 44 3HE LYS 44 -6.989 -1.294 -10.326 358 1HZ LYS 44 1HZ LYS 44 -8.448 -0.802 -8.518 359 2HZ LYS 44 2HZ LYS 44 -7.808 0.710 -8.353 360 3HZ LYS 44 3HZ LYS 44 -8.618 0.303 -9.729 361 H LYS 45 H LYS 45 -4.452 -5.025 -8.272 362 HA LYS 45 HA LYS 45 -5.028 -5.342 -11.082 363 1HB LYS 45 2HB LYS 45 -4.666 -7.688 -11.287 364 2HB LYS 45 3HB LYS 45 -3.150 -7.000 -10.754 365 1HG LYS 45 2HG LYS 45 -5.153 -8.344 -8.817 366 2HG LYS 45 3HG LYS 45 -3.906 -9.201 -9.678 367 1HD LYS 45 2HD LYS 45 -2.260 -7.359 -8.695 368 2HD LYS 45 3HD LYS 45 -3.582 -7.032 -7.580 369 1HE LYS 45 2HE LYS 45 -3.527 -9.539 -6.999 370 2HE LYS 45 3HE LYS 45 -2.054 -9.650 -7.963 371 1HZ LYS 45 1HZ LYS 45 -0.991 -8.133 -6.528 372 2HZ LYS 45 2HZ LYS 45 -2.379 -7.802 -5.706 373 3HZ LYS 45 3HZ LYS 45 -1.703 -9.294 -5.587 374 H THR 46 H THR 46 -6.657 -7.366 -11.104 375 HA THR 46 HA THR 46 -8.354 -7.304 -8.689 376 HB THR 46 HB THR 46 -9.256 -5.980 -10.704 377 HG1 THR 46 1HG THR 46 -11.246 -6.615 -10.084 378 1HG2 THR 46 1HG2 THR 46 -8.653 -7.666 -12.464 379 2HG2 THR 46 2HG2 THR 46 -9.869 -8.763 -11.769 380 3HG2 THR 46 3HG2 THR 46 -10.366 -7.205 -12.458 381 H ILE 47 H ILE 47 -9.545 -9.374 -8.583 382 HA ILE 47 HA ILE 47 -7.977 -11.660 -9.646 383 HB ILE 47 HB ILE 47 -6.964 -10.979 -7.650 384 1HG1 ILE 47 2HG1 ILE 47 -8.520 -13.613 -7.216 385 2HG1 ILE 47 3HG1 ILE 47 -7.253 -13.446 -8.434 386 1HG2 ILE 47 1HG2 ILE 47 -8.683 -9.965 -6.399 387 2HG2 ILE 47 2HG2 ILE 47 -9.575 -11.505 -6.214 388 3HG2 ILE 47 3HG2 ILE 47 -8.002 -11.254 -5.423 389 1HD1 ILE 47 1HD1 ILE 47 -5.652 -12.764 -6.634 390 2HD1 ILE 47 2HD1 ILE 47 -6.909 -13.140 -5.428 391 3HD1 ILE 47 3HD1 ILE 47 -6.283 -14.425 -6.478 392 H TYR 48 H TYR 48 -9.075 -13.644 -9.614 393 HA TYR 48 HA TYR 48 -12.040 -13.325 -9.740 394 1HB TYR 48 2HB TYR 48 -10.122 -15.287 -11.016 395 2HB TYR 48 3HB TYR 48 -11.860 -15.221 -11.250 396 HD1 TYR 48 1HD TYR 48 -11.461 -11.918 -11.379 397 HD2 TYR 48 2HD TYR 48 -9.809 -15.292 -13.464 398 HE1 TYR 48 1HE TYR 48 -10.846 -10.433 -13.269 399 HE2 TYR 48 2HE TYR 48 -9.175 -13.811 -15.348 400 HH TYR 48 HH TYR 48 -10.227 -10.488 -15.652 401 H GLU 49 H GLU 49 -13.367 -15.057 -9.002 402 HA GLU 49 HA GLU 49 -12.240 -16.364 -6.626 403 1HB GLU 49 2HB GLU 49 -14.542 -14.976 -7.100 404 2HB GLU 49 3HB GLU 49 -15.135 -16.587 -7.433 405 1HG GLU 49 2HG GLU 49 -13.688 -15.752 -4.856 406 2HG GLU 49 3HG GLU 49 -15.442 -15.737 -5.063 407 H ASN 50 H ASN 50 -11.238 -17.365 -8.952 408 HA ASN 50 HA ASN 50 -10.865 -19.190 -10.239 409 1HB ASN 50 2HB ASN 50 -10.743 -20.343 -8.033 410 2HB ASN 50 3HB ASN 50 -12.463 -20.738 -8.150 411 1HD2 ASN 50 2HD2 ASN 50 -9.362 -21.143 -9.978 412 2HD2 ASN 50 1HD2 ASN 50 -9.814 -22.715 -10.615 413 H GLU 51 H GLU 51 -11.847 -20.832 -11.737 414 HA GLU 51 HA GLU 51 -13.326 -21.486 -13.270 415 1HB GLU 51 2HB GLU 51 -14.740 -21.669 -10.941 416 2HB GLU 51 3HB GLU 51 -15.728 -20.478 -11.771 417 1HG GLU 51 2HG GLU 51 -16.728 -22.530 -12.269 418 2HG GLU 51 3HG GLU 51 -15.782 -22.270 -13.733 419 H GLY 52 H GLY 52 -15.368 -20.618 -14.630 420 1HA GLY 52 2HA GLY 52 -14.661 -17.978 -15.623 421 2HA GLY 52 3HA GLY 52 -15.832 -19.114 -16.295 422 H PHE 53 H PHE 53 -16.978 -19.350 -13.429 423 HA PHE 53 HA PHE 53 -18.969 -17.191 -13.729 424 1HB PHE 53 2HB PHE 53 -19.164 -19.881 -13.096 425 2HB PHE 53 3HB PHE 53 -19.157 -19.190 -11.495 426 HD1 PHE 53 1HD PHE 53 -20.675 -18.769 -14.907 427 HD2 PHE 53 2HD PHE 53 -21.351 -18.611 -10.643 428 HE1 PHE 53 1HE PHE 53 -23.095 -18.422 -15.299 429 HE2 PHE 53 2HE PHE 53 -23.764 -18.233 -11.049 430 HZ PHE 53 HZ PHE 53 -24.643 -18.145 -13.372 431 H ARG 54 H ARG 54 -19.634 -16.956 -11.025 432 HA ARG 54 HA ARG 54 -19.147 -15.592 -9.242 433 1HB ARG 54 2HB ARG 54 -17.552 -16.752 -7.714 434 2HB ARG 54 3HB ARG 54 -18.833 -17.751 -8.400 435 1HG ARG 54 2HG ARG 54 -17.214 -18.696 -10.065 436 2HG ARG 54 3HG ARG 54 -15.948 -17.678 -9.385 437 1HD ARG 54 2HD ARG 54 -15.778 -19.930 -8.515 438 2HD ARG 54 3HD ARG 54 -16.242 -18.823 -7.210 439 HE ARG 54 HE ARG 54 -18.571 -19.998 -8.426 440 1HH1 ARG 54 1HH2 ARG 54 -15.899 -20.694 -6.237 441 2HH1 ARG 54 2HH2 ARG 54 -16.721 -21.969 -5.379 442 1HH2 ARG 54 1HH1 ARG 54 -19.698 -21.649 -7.299 443 2HH2 ARG 54 2HH1 ARG 54 -18.934 -22.513 -5.993 444 H GLU 55 H GLU 55 -18.568 -13.796 -10.591 445 HA GLU 55 HA GLU 55 -15.907 -13.169 -11.259 446 1HB GLU 55 2HB GLU 55 -18.076 -12.279 -12.222 447 2HB GLU 55 3HB GLU 55 -18.194 -11.192 -10.829 448 1HG GLU 55 2HG GLU 55 -16.251 -9.958 -11.561 449 2HG GLU 55 3HG GLU 55 -15.776 -11.248 -12.693 450 H ILE 56 H ILE 56 -14.902 -11.117 -10.569 451 HA ILE 56 HA ILE 56 -13.347 -11.271 -8.529 452 HB ILE 56 HB ILE 56 -14.681 -8.700 -9.412 453 1HG1 ILE 56 2HG1 ILE 56 -11.901 -9.513 -10.270 454 2HG1 ILE 56 3HG1 ILE 56 -13.238 -10.330 -11.052 455 1HG2 ILE 56 1HG2 ILE 56 -13.447 -8.362 -7.240 456 2HG2 ILE 56 2HG2 ILE 56 -12.003 -9.041 -8.007 457 3HG2 ILE 56 3HG2 ILE 56 -12.699 -7.519 -8.580 458 1HD1 ILE 56 1HD1 ILE 56 -14.230 -8.225 -11.762 459 2HD1 ILE 56 2HD1 ILE 56 -12.947 -7.311 -10.954 460 3HD1 ILE 56 3HD1 ILE 56 -12.556 -8.368 -12.328 461 H LYS 57 H LYS 57 -13.658 -11.937 -6.522 462 HA LYS 57 HA LYS 57 -15.893 -10.988 -4.916 463 1HB LYS 57 2HB LYS 57 -14.927 -13.356 -5.124 464 2HB LYS 57 3HB LYS 57 -13.651 -12.849 -4.018 465 1HG LYS 57 2HG LYS 57 -16.623 -12.489 -3.387 466 2HG LYS 57 3HG LYS 57 -15.838 -14.042 -3.174 467 1HD LYS 57 2HD LYS 57 -14.241 -11.927 -1.904 468 2HD LYS 57 3HD LYS 57 -15.909 -11.911 -1.319 469 1HE LYS 57 2HE LYS 57 -15.783 -14.309 -0.765 470 2HE LYS 57 3HE LYS 57 -14.143 -14.405 -1.439 471 1HZ LYS 57 1HZ LYS 57 -13.417 -12.896 0.241 472 2HZ LYS 57 2HZ LYS 57 -14.943 -12.756 0.853 473 3HZ LYS 57 3HZ LYS 57 -14.151 -14.199 0.934 474 H GLY 58 H GLY 58 -12.436 -10.331 -5.299 475 1HA GLY 58 2HA GLY 58 -12.644 -8.065 -3.476 476 2HA GLY 58 3HA GLY 58 -11.450 -9.306 -3.039 477 H TYR 59 H TYR 59 -10.821 -6.657 -3.707 478 HA TYR 59 HA TYR 59 -9.468 -6.726 -6.347 479 1HB TYR 59 2HB TYR 59 -10.315 -4.665 -4.260 480 2HB TYR 59 3HB TYR 59 -8.720 -4.397 -4.925 481 HD1 TYR 59 1HD TYR 59 -8.521 -4.733 -7.437 482 HD2 TYR 59 2HD TYR 59 -12.038 -3.416 -5.417 483 HE1 TYR 59 1HE TYR 59 -9.356 -3.728 -9.599 484 HE2 TYR 59 2HE TYR 59 -12.897 -2.407 -7.519 485 HH TYR 59 HH TYR 59 -11.141 -2.662 -10.624 486 H GLU 60 H GLU 60 -7.042 -5.944 -6.144 487 HA GLU 60 HA GLU 60 -5.827 -6.462 -3.588 488 1HB GLU 60 2HB GLU 60 -6.078 -8.711 -5.137 489 2HB GLU 60 3HB GLU 60 -4.585 -8.000 -5.777 490 1HG GLU 60 2HG GLU 60 -3.507 -8.153 -3.602 491 2HG GLU 60 3HG GLU 60 -5.011 -8.709 -2.862 492 H TYR 61 H TYR 61 -3.675 -5.799 -3.490 493 HA TYR 61 HA TYR 61 -2.772 -3.844 -5.591 494 1HB TYR 61 2HB TYR 61 -2.961 -3.381 -2.600 495 2HB TYR 61 3HB TYR 61 -2.372 -2.238 -3.796 496 HD1 TYR 61 1HD TYR 61 -5.223 -3.428 -1.981 497 HD2 TYR 61 2HD TYR 61 -4.036 -1.251 -5.477 498 HE1 TYR 61 1HE TYR 61 -7.611 -3.124 -2.622 499 HE2 TYR 61 2HE TYR 61 -6.406 -0.553 -5.825 500 HH TYR 61 HH TYR 61 -8.949 -1.466 -3.540 501 H GLN 62 H GLN 62 -0.642 -4.448 -6.151 502 HA GLN 62 HA GLN 62 0.873 -6.056 -4.172 503 1HB GLN 62 2HB GLN 62 0.573 -6.863 -6.559 504 2HB GLN 62 3HB GLN 62 1.537 -5.465 -7.067 505 1HG GLN 62 2HG GLN 62 3.327 -6.366 -5.372 506 2HG GLN 62 3HG GLN 62 2.390 -7.861 -5.400 507 1HE2 GLN 62 2HE2 GLN 62 2.295 -9.061 -7.458 508 2HE2 GLN 62 1HE2 GLN 62 3.464 -8.710 -8.719 509 H LEU 63 H LEU 63 2.131 -4.951 -2.817 510 HA LEU 63 HA LEU 63 3.545 -2.517 -3.819 511 1HB LEU 63 2HB LEU 63 2.615 -3.268 -1.043 512 2HB LEU 63 3HB LEU 63 3.515 -1.805 -1.451 513 HG LEU 63 HG LEU 63 0.963 -2.285 -3.011 514 1HD1 LEU 63 1HD1 LEU 63 0.257 -2.980 -0.817 515 2HD1 LEU 63 2HD1 LEU 63 1.013 -1.537 -0.083 516 3HD1 LEU 63 3HD1 LEU 63 -0.365 -1.360 -1.199 517 1HD2 LEU 63 1HD2 LEU 63 2.165 0.168 -1.623 518 2HD2 LEU 63 2HD2 LEU 63 2.305 -0.221 -3.349 519 3HD2 LEU 63 3HD2 LEU 63 0.726 0.161 -2.657 520 H TYR 64 H TYR 64 5.706 -2.521 -3.660 521 HA TYR 64 HA TYR 64 7.087 -4.966 -2.693 522 1HB TYR 64 2HB TYR 64 7.563 -2.765 -4.698 523 2HB TYR 64 3HB TYR 64 8.923 -3.644 -4.071 524 HD1 TYR 64 1HD TYR 64 8.493 -6.386 -4.053 525 HD2 TYR 64 2HD TYR 64 6.849 -3.499 -6.808 526 HE1 TYR 64 1HE TYR 64 8.200 -8.161 -5.765 527 HE2 TYR 64 2HE TYR 64 6.583 -5.271 -8.501 528 HH TYR 64 HH TYR 64 6.630 -7.493 -8.896 529 H VAL 65 H VAL 65 7.244 -4.691 -0.476 530 HA VAL 65 HA VAL 65 7.962 -2.045 0.638 531 HB VAL 65 HB VAL 65 7.230 -4.699 1.923 532 1HG1 VAL 65 1HG1 VAL 65 8.872 -3.552 3.373 533 2HG1 VAL 65 2HG1 VAL 65 7.967 -2.037 3.218 534 3HG1 VAL 65 3HG1 VAL 65 7.253 -3.443 4.043 535 1HG2 VAL 65 1HG2 VAL 65 5.843 -1.984 1.883 536 2HG2 VAL 65 2HG2 VAL 65 5.354 -3.393 0.910 537 3HG2 VAL 65 3HG2 VAL 65 5.260 -3.457 2.681 538 H TYR 66 H TYR 66 9.973 -1.545 1.556 539 HA TYR 66 HA TYR 66 12.140 -3.321 0.633 540 1HB TYR 66 2HB TYR 66 11.817 -0.838 -0.028 541 2HB TYR 66 3HB TYR 66 12.339 -0.448 1.590 542 HD1 TYR 66 1HD TYR 66 13.346 -2.707 -1.175 543 HD2 TYR 66 2HD TYR 66 14.633 0.126 1.779 544 HE1 TYR 66 1HE TYR 66 15.735 -3.025 -1.907 545 HE2 TYR 66 2HE TYR 66 16.973 -0.123 1.016 546 HH TYR 66 HH TYR 66 18.401 -1.637 -0.123 547 H ALA 67 H ALA 67 11.383 -4.666 2.660 548 HA ALA 67 HA ALA 67 12.047 -3.333 5.227 549 1HB ALA 67 1HB ALA 67 9.903 -5.026 4.618 550 2HB ALA 67 2HB ALA 67 11.010 -6.005 5.591 551 3HB ALA 67 3HB ALA 67 10.424 -4.464 6.210 552 H SER 68 H SER 68 13.738 -4.159 6.620 553 HA SER 68 HA SER 68 15.793 -4.959 6.923 554 1HB SER 68 2HB SER 68 14.323 -7.382 6.041 555 2HB SER 68 3HB SER 68 16.067 -7.505 5.927 556 HG SER 68 HG SER 68 15.492 -8.071 7.974 557 H ASP 69 H ASP 69 15.155 -3.579 4.209 558 HA ASP 69 HA ASP 69 16.313 -2.962 2.397 559 1HB ASP 69 2HB ASP 69 18.189 -2.702 3.991 560 2HB ASP 69 3HB ASP 69 18.687 -4.363 3.684 561 H LYS 70 H LYS 70 14.720 -5.442 2.534 562 HA LYS 70 HA LYS 70 15.708 -6.643 0.015 563 1HB LYS 70 2HB LYS 70 14.506 -8.115 2.405 564 2HB LYS 70 3HB LYS 70 14.617 -8.778 0.784 565 1HG LYS 70 2HG LYS 70 16.608 -9.576 1.171 566 2HG LYS 70 3HG LYS 70 17.261 -7.946 1.283 567 1HD LYS 70 2HD LYS 70 17.459 -8.021 3.543 568 2HD LYS 70 3HD LYS 70 15.937 -8.884 3.790 569 1HE LYS 70 2HE LYS 70 17.012 -10.998 2.973 570 2HE LYS 70 3HE LYS 70 18.558 -10.132 2.842 571 1HZ LYS 70 1HZ LYS 70 18.453 -9.740 5.192 572 2HZ LYS 70 2HZ LYS 70 16.993 -10.501 5.302 573 3HZ LYS 70 3HZ LYS 70 18.336 -11.355 4.881 574 H LEU 71 H LEU 71 13.770 -7.637 -1.115 575 HA LEU 71 HA LEU 71 11.565 -5.688 -0.834 576 1HB LEU 71 2HB LEU 71 12.583 -7.423 -3.072 577 2HB LEU 71 3HB LEU 71 10.914 -6.857 -3.073 578 HG LEU 71 HG LEU 71 12.351 -5.400 -4.349 579 1HD1 LEU 71 1HD1 LEU 71 10.378 -4.598 -2.918 580 2HD1 LEU 71 2HD1 LEU 71 11.563 -3.793 -1.902 581 3HD1 LEU 71 3HD1 LEU 71 11.469 -3.374 -3.618 582 1HD2 LEU 71 1HD2 LEU 71 13.827 -4.724 -1.779 583 2HD2 LEU 71 2HD2 LEU 71 14.465 -5.771 -3.035 584 3HD2 LEU 71 3HD2 LEU 71 14.120 -4.058 -3.397 585 H PHE 72 H PHE 72 10.094 -6.382 0.611 586 HA PHE 72 HA PHE 72 9.238 -9.239 0.691 587 1HB PHE 72 2HB PHE 72 8.674 -6.799 2.391 588 2HB PHE 72 3HB PHE 72 7.653 -8.205 2.452 589 HD1 PHE 72 1HD PHE 72 10.790 -6.858 3.448 590 HD2 PHE 72 2HD PHE 72 8.527 -10.471 3.175 591 HE1 PHE 72 1HE PHE 72 12.547 -8.013 4.801 592 HE2 PHE 72 2HE PHE 72 10.175 -11.623 4.628 593 HZ PHE 72 HZ PHE 72 12.211 -10.420 5.408 594 H ARG 73 H ARG 73 7.688 -9.838 -0.709 595 HA ARG 73 HA ARG 73 6.322 -7.877 -2.336 596 1HB ARG 73 2HB ARG 73 7.049 -10.514 -2.709 597 2HB ARG 73 3HB ARG 73 5.341 -10.708 -2.290 598 1HG ARG 73 2HG ARG 73 4.757 -9.038 -4.081 599 2HG ARG 73 3HG ARG 73 6.488 -8.904 -4.432 600 1HD ARG 73 2HD ARG 73 6.412 -11.492 -4.766 601 2HD ARG 73 3HD ARG 73 4.652 -11.263 -4.904 602 HE ARG 73 HE ARG 73 6.022 -9.371 -6.562 603 1HH1 ARG 73 1HH2 ARG 73 5.322 -12.830 -6.441 604 2HH1 ARG 73 2HH2 ARG 73 5.707 -13.106 -8.117 605 1HH2 ARG 73 1HH1 ARG 73 6.647 -9.702 -8.642 606 2HH2 ARG 73 2HH1 ARG 73 6.437 -11.252 -9.440 607 H ALA 74 H ALA 74 4.599 -6.729 -1.383 608 HA ALA 74 HA ALA 74 3.015 -8.186 0.661 609 1HB ALA 74 1HB ALA 74 4.666 -6.089 1.182 610 2HB ALA 74 2HB ALA 74 3.072 -5.301 1.017 611 3HB ALA 74 3HB ALA 74 3.320 -6.630 2.160 612 H ASP 75 H ASP 75 1.247 -8.840 -0.477 613 HA ASP 75 HA ASP 75 -0.066 -6.913 -2.293 614 1HB ASP 75 2HB ASP 75 -1.088 -8.894 -3.330 615 2HB ASP 75 3HB ASP 75 0.658 -8.761 -3.545 616 H ILE 76 H ILE 76 -1.572 -5.860 -1.088 617 HA ILE 76 HA ILE 76 -3.098 -7.328 1.025 618 HB ILE 76 HB ILE 76 -2.774 -4.466 0.171 619 1HG1 ILE 76 2HG1 ILE 76 -2.821 -5.619 2.977 620 2HG1 ILE 76 3HG1 ILE 76 -1.392 -5.810 1.950 621 1HG2 ILE 76 1HG2 ILE 76 -5.195 -4.592 0.351 622 2HG2 ILE 76 2HG2 ILE 76 -5.083 -5.528 1.860 623 3HG2 ILE 76 3HG2 ILE 76 -4.604 -3.831 1.816 624 1HD1 ILE 76 1HD1 ILE 76 -0.987 -3.538 1.764 625 2HD1 ILE 76 2HD1 ILE 76 -2.575 -3.067 2.422 626 3HD1 ILE 76 3HD1 ILE 76 -1.347 -3.763 3.480 627 H SER 77 H SER 77 -5.258 -7.816 0.805 628 HA SER 77 HA SER 77 -6.508 -7.366 -1.846 629 1HB SER 77 2HB SER 77 -6.482 -9.726 -0.153 630 2HB SER 77 3HB SER 77 -8.130 -9.120 -0.304 631 HG SER 77 HG SER 77 -7.660 -8.972 -2.643 632 H GLU 78 H GLU 78 -8.690 -6.635 -1.886 633 HA GLU 78 HA GLU 78 -9.721 -5.680 0.667 634 1HB GLU 78 2HB GLU 78 -9.647 -4.085 -1.940 635 2HB GLU 78 3HB GLU 78 -10.627 -3.654 -0.554 636 1HG GLU 78 2HG GLU 78 -8.569 -3.560 0.870 637 2HG GLU 78 3HG GLU 78 -7.572 -3.767 -0.548 638 H ASP 79 H ASP 79 -11.996 -5.370 0.651 639 HA ASP 79 HA ASP 79 -13.278 -7.651 -0.696 640 1HB ASP 79 2HB ASP 79 -13.746 -6.898 1.705 641 2HB ASP 79 3HB ASP 79 -14.650 -5.537 1.010 642 H TYR 80 H TYR 80 -14.505 -7.519 -2.592 643 HA TYR 80 HA TYR 80 -14.407 -5.087 -4.105 644 1HB TYR 80 2HB TYR 80 -14.480 -7.535 -4.900 645 2HB TYR 80 3HB TYR 80 -16.217 -7.470 -4.630 646 HD1 TYR 80 1HD TYR 80 -17.380 -7.214 -6.684 647 HD2 TYR 80 2HD TYR 80 -13.465 -5.471 -6.260 648 HE1 TYR 80 1HE TYR 80 -17.339 -6.696 -9.106 649 HE2 TYR 80 2HE TYR 80 -13.452 -4.915 -8.668 650 HH TYR 80 HH TYR 80 -14.591 -5.019 -10.655 651 H LYS 81 H LYS 81 -16.618 -6.224 -1.662 652 HA LYS 81 HA LYS 81 -18.951 -4.940 -2.677 653 1HB LYS 81 2HB LYS 81 -18.890 -6.844 -1.020 654 2HB LYS 81 3HB LYS 81 -18.308 -5.717 0.206 655 1HG LYS 81 2HG LYS 81 -20.666 -6.033 0.495 656 2HG LYS 81 3HG LYS 81 -20.431 -4.376 -0.079 657 1HD LYS 81 2HD LYS 81 -21.101 -5.007 -2.345 658 2HD LYS 81 3HD LYS 81 -21.117 -6.727 -1.899 659 1HE LYS 81 2HE LYS 81 -22.984 -6.290 -0.313 660 2HE LYS 81 3HE LYS 81 -22.935 -4.564 -0.721 661 1HZ LYS 81 1HZ LYS 81 -23.507 -5.137 -2.962 662 2HZ LYS 81 2HZ LYS 81 -23.542 -6.744 -2.591 663 3HZ LYS 81 3HZ LYS 81 -24.637 -5.717 -1.913 664 H THR 82 H THR 82 -16.884 -4.010 0.208 665 HA THR 82 HA THR 82 -17.637 -1.159 -0.353 666 HB THR 82 HB THR 82 -17.079 -2.649 2.246 667 HG1 THR 82 1HG THR 82 -19.188 -2.640 0.927 668 1HG2 THR 82 1HG2 THR 82 -16.231 -0.364 2.450 669 2HG2 THR 82 2HG2 THR 82 -17.702 0.265 1.666 670 3HG2 THR 82 3HG2 THR 82 -17.793 -0.507 3.275 671 H ARG 83 H ARG 83 -15.116 -2.220 1.840 672 HA ARG 83 HA ARG 83 -12.903 -2.208 0.087 673 1HB ARG 83 2HB ARG 83 -11.814 -0.142 0.800 674 2HB ARG 83 3HB ARG 83 -13.211 0.189 -0.205 675 1HG ARG 83 2HG ARG 83 -14.372 1.256 1.438 676 2HG ARG 83 3HG ARG 83 -13.859 0.143 2.697 677 1HD ARG 83 2HD ARG 83 -12.399 1.577 3.492 678 2HD ARG 83 3HD ARG 83 -11.498 1.634 1.996 679 HE ARG 83 HE ARG 83 -13.305 3.611 3.059 680 1HH1 ARG 83 1HH2 ARG 83 -12.144 2.262 0.024 681 2HH1 ARG 83 2HH2 ARG 83 -12.343 3.733 -0.893 682 1HH2 ARG 83 1HH1 ARG 83 -13.614 5.544 1.891 683 2HH2 ARG 83 2HH1 ARG 83 -13.221 5.636 0.196 684 H GLY 84 H GLY 84 -13.691 -3.995 1.861 685 1HA GLY 84 2HA GLY 84 -12.562 -3.765 4.508 686 2HA GLY 84 3HA GLY 84 -12.891 -5.273 3.619 687 H ARG 85 H ARG 85 -10.495 -5.167 5.065 688 HA ARG 85 HA ARG 85 -8.461 -5.012 2.906 689 1HB ARG 85 2HB ARG 85 -8.745 -3.097 4.984 690 2HB ARG 85 3HB ARG 85 -7.433 -4.132 5.522 691 1HG ARG 85 2HG ARG 85 -6.098 -3.632 3.642 692 2HG ARG 85 3HG ARG 85 -7.472 -3.092 2.672 693 1HD ARG 85 2HD ARG 85 -6.099 -1.200 3.344 694 2HD ARG 85 3HD ARG 85 -7.782 -1.112 3.906 695 HE ARG 85 HE ARG 85 -6.089 -2.305 5.910 696 1HH1 ARG 85 1HH2 ARG 85 -6.877 0.790 4.420 697 2HH1 ARG 85 2HH2 ARG 85 -6.624 1.735 5.862 698 1HH2 ARG 85 1HH1 ARG 85 -5.776 -1.104 7.825 699 2HH2 ARG 85 2HH1 ARG 85 -5.926 0.633 7.837 700 H LYS 86 H LYS 86 -7.640 -7.010 2.715 701 HA LYS 86 HA LYS 86 -7.511 -8.670 5.179 702 1HB LYS 86 2HB LYS 86 -7.992 -9.591 2.319 703 2HB LYS 86 3HB LYS 86 -7.737 -10.655 3.699 704 1HG LYS 86 2HG LYS 86 -10.102 -8.869 3.126 705 2HG LYS 86 3HG LYS 86 -10.068 -10.617 3.345 706 1HD LYS 86 2HD LYS 86 -9.771 -8.453 5.463 707 2HD LYS 86 3HD LYS 86 -11.089 -9.582 5.288 708 1HE LYS 86 2HE LYS 86 -8.246 -10.492 5.982 709 2HE LYS 86 3HE LYS 86 -9.420 -9.979 7.174 710 1HZ LYS 86 1HZ LYS 86 -10.892 -11.704 6.393 711 2HZ LYS 86 2HZ LYS 86 -9.820 -12.160 5.227 712 3HZ LYS 86 3HZ LYS 86 -9.441 -12.356 6.819 713 H LEU 87 H LEU 87 -5.881 -9.933 5.612 714 HA LEU 87 HA LEU 87 -3.336 -8.863 4.859 715 1HB LEU 87 2HB LEU 87 -4.392 -9.742 7.113 716 2HB LEU 87 3HB LEU 87 -3.783 -11.315 6.616 717 HG LEU 87 HG LEU 87 -2.193 -8.748 6.904 718 1HD1 LEU 87 1HD1 LEU 87 -3.180 -9.693 9.032 719 2HD1 LEU 87 2HD1 LEU 87 -2.202 -11.151 8.767 720 3HD1 LEU 87 3HD1 LEU 87 -1.426 -9.575 9.023 721 1HD2 LEU 87 1HD2 LEU 87 -1.186 -11.607 6.529 722 2HD2 LEU 87 2HD2 LEU 87 -1.096 -10.318 5.315 723 3HD2 LEU 87 3HD2 LEU 87 -0.170 -10.180 6.809 724 H LEU 88 H LEU 88 -2.919 -9.431 2.707 725 HA LEU 88 HA LEU 88 -2.050 -12.269 2.330 726 1HB LEU 88 2HB LEU 88 -3.483 -10.370 0.495 727 2HB LEU 88 3HB LEU 88 -2.398 -11.574 -0.214 728 HG LEU 88 HG LEU 88 -4.672 -12.290 1.669 729 1HD1 LEU 88 1HD1 LEU 88 -6.167 -12.122 0.002 730 2HD1 LEU 88 2HD1 LEU 88 -4.950 -11.266 -0.969 731 3HD1 LEU 88 3HD1 LEU 88 -5.137 -13.011 -1.127 732 1HD2 LEU 88 1HD2 LEU 88 -3.027 -13.929 -0.321 733 2HD2 LEU 88 2HD2 LEU 88 -2.925 -14.050 1.445 734 3HD2 LEU 88 3HD2 LEU 88 -4.405 -14.540 0.619 735 H ARG 89 H ARG 89 -0.958 -9.369 3.087 736 HA ARG 89 HA ARG 89 1.257 -9.062 1.356 737 1HB ARG 89 2HB ARG 89 1.967 -7.641 3.609 738 2HB ARG 89 3HB ARG 89 0.969 -6.982 2.321 739 1HG ARG 89 2HG ARG 89 -1.060 -7.531 3.548 740 2HG ARG 89 3HG ARG 89 -0.055 -8.268 4.838 741 1HD ARG 89 2HD ARG 89 1.070 -6.096 5.125 742 2HD ARG 89 3HD ARG 89 0.126 -5.387 3.835 743 HE ARG 89 HE ARG 89 -1.652 -5.063 5.238 744 1HH1 ARG 89 1HH2 ARG 89 0.641 -7.288 6.756 745 2HH1 ARG 89 2HH2 ARG 89 -0.248 -7.473 8.226 746 1HH2 ARG 89 1HH1 ARG 89 -2.958 -5.443 7.144 747 2HH2 ARG 89 2HH1 ARG 89 -2.378 -6.504 8.393 748 H PHE 90 H PHE 90 3.518 -8.768 2.523 749 HA PHE 90 HA PHE 90 5.339 -9.666 3.315 750 1HB PHE 90 2HB PHE 90 3.425 -9.663 5.299 751 2HB PHE 90 3HB PHE 90 4.008 -11.297 5.404 752 HD1 PHE 90 1HD PHE 90 4.618 -7.781 5.994 753 HD2 PHE 90 2HD PHE 90 6.588 -11.605 5.777 754 HE1 PHE 90 1HE PHE 90 6.307 -6.984 7.571 755 HE2 PHE 90 2HE PHE 90 8.427 -10.731 7.205 756 HZ PHE 90 HZ PHE 90 8.251 -8.487 8.226 757 H ASN 91 H ASN 91 5.209 -10.830 1.140 758 HA ASN 91 HA ASN 91 5.468 -13.760 1.605 759 1HB ASN 91 2HB ASN 91 3.450 -12.794 0.199 760 2HB ASN 91 3HB ASN 91 4.703 -12.570 -1.043 761 1HD2 ASN 91 2HD2 ASN 91 3.063 -14.076 -2.150 762 2HD2 ASN 91 1HD2 ASN 91 3.327 -15.797 -1.916 763 H GLY 92 H GLY 92 6.967 -14.830 0.335 764 1HA GLY 92 2HA GLY 92 8.652 -14.963 -1.364 765 2HA GLY 92 3HA GLY 92 8.987 -13.245 -1.198 766 HA PRO 93 HA PRO 93 10.094 -11.738 0.148 767 1HB PRO 93 2HB PRO 93 12.694 -11.049 0.603 768 2HB PRO 93 3HB PRO 93 11.483 -11.173 1.903 769 1HG PRO 93 2HG PRO 93 13.508 -13.267 1.068 770 2HG PRO 93 3HG PRO 93 13.163 -12.677 2.722 771 1HD PRO 93 2HD PRO 93 12.055 -14.972 1.732 772 2HD PRO 93 3HD PRO 93 11.128 -13.901 2.816 773 H VAL 94 H VAL 94 11.468 -10.553 -1.558 774 HA VAL 94 HA VAL 94 12.578 -12.445 -3.568 775 HB VAL 94 HB VAL 94 11.504 -11.201 -5.343 776 1HG1 VAL 94 1HG1 VAL 94 10.271 -13.096 -4.279 777 2HG1 VAL 94 2HG1 VAL 94 9.398 -11.920 -3.271 778 3HG1 VAL 94 3HG1 VAL 94 9.217 -11.885 -5.032 779 1HG2 VAL 94 1HG2 VAL 94 10.059 -9.519 -3.275 780 2HG2 VAL 94 2HG2 VAL 94 11.394 -8.954 -4.317 781 3HG2 VAL 94 3HG2 VAL 94 9.875 -9.488 -5.033 782 HA PRO 95 HA PRO 95 15.961 -9.605 -3.506 783 1HB PRO 95 2HB PRO 95 17.077 -9.865 -6.011 784 2HB PRO 95 3HB PRO 95 17.097 -11.176 -4.793 785 1HG PRO 95 2HG PRO 95 15.132 -10.775 -7.066 786 2HG PRO 95 3HG PRO 95 16.043 -12.261 -6.661 787 1HD PRO 95 2HD PRO 95 13.493 -11.890 -5.847 788 2HD PRO 95 3HD PRO 95 14.674 -12.679 -4.768 789 HA PRO 96 HA PRO 96 14.641 -5.754 -5.237 790 1HB PRO 96 2HB PRO 96 16.990 -4.396 -5.836 791 2HB PRO 96 3HB PRO 96 16.409 -4.682 -4.173 792 1HG PRO 96 2HG PRO 96 18.407 -6.326 -5.743 793 2HG PRO 96 3HG PRO 96 18.571 -5.700 -4.074 794 1HD PRO 96 2HD PRO 96 17.793 -8.241 -4.533 795 2HD PRO 96 3HD PRO 96 17.001 -7.293 -3.245 796 HA PRO 97 HA PRO 97 14.554 -6.131 -9.643 797 1HB PRO 97 2HB PRO 97 13.492 -3.760 -10.422 798 2HB PRO 97 3HB PRO 97 12.602 -4.879 -9.357 799 1HG PRO 97 2HG PRO 97 14.249 -2.478 -8.493 800 2HG PRO 97 3HG PRO 97 12.563 -2.864 -8.047 801 1HD PRO 97 2HD PRO 97 14.683 -3.547 -6.459 802 2HD PRO 97 3HD PRO 97 13.242 -4.596 -6.614 Start of MODEL 4 1 1H MET 1 1H MET 1 -11.309 -3.756 -11.563 2 2H MET 1 2H MET 1 -11.233 -3.267 -13.134 3 3H MET 1 3H MET 1 -9.958 -4.054 -12.471 4 HA MET 1 HA MET 1 -11.225 -6.038 -12.231 5 1HB MET 1 2HB MET 1 -13.411 -6.116 -13.573 6 2HB MET 1 3HB MET 1 -13.409 -5.495 -11.926 7 1HG MET 1 2HG MET 1 -13.209 -3.600 -14.278 8 2HG MET 1 3HG MET 1 -14.752 -4.246 -13.709 9 1HE MET 1 1HE MET 1 -14.281 -1.164 -13.931 10 2HE MET 1 2HE MET 1 -15.790 -1.906 -13.339 11 3HE MET 1 3HE MET 1 -15.006 -0.616 -12.401 12 H GLY 2 H GLY 2 -11.580 -7.586 -14.023 13 1HA GLY 2 2HA GLY 2 -10.899 -8.545 -15.997 14 2HA GLY 2 3HA GLY 2 -10.663 -6.941 -16.697 15 H GLU 3 H GLU 3 -8.692 -5.723 -15.687 16 HA GLU 3 HA GLU 3 -6.339 -7.583 -15.679 17 1HB GLU 3 2HB GLU 3 -7.165 -5.553 -17.669 18 2HB GLU 3 3HB GLU 3 -5.555 -5.240 -17.042 19 1HG GLU 3 2HG GLU 3 -4.881 -7.577 -17.567 20 2HG GLU 3 3HG GLU 3 -6.499 -7.886 -18.223 21 H TRP 4 H TRP 4 -4.312 -6.195 -15.321 22 HA TRP 4 HA TRP 4 -4.524 -5.094 -12.643 23 1HB TRP 4 2HB TRP 4 -2.185 -5.284 -14.591 24 2HB TRP 4 3HB TRP 4 -2.080 -4.648 -12.977 25 HD1 TRP 4 HD TRP 4 -3.302 -8.046 -14.463 26 HE1 TRP 4 1HE TRP 4 -2.332 -9.915 -13.035 27 HE3 TRP 4 3HE TRP 4 -0.907 -5.204 -10.993 28 HZ2 TRP 4 2HZ TRP 4 -0.638 -10.160 -10.673 29 HZ3 TRP 4 3HZ TRP 4 0.346 -6.261 -9.121 30 HH2 TRP 4 HH TRP 4 0.532 -8.742 -8.990 31 H GLU 5 H GLU 5 -3.498 -2.969 -12.154 32 HA GLU 5 HA GLU 5 -3.869 -0.844 -14.176 33 1HB GLU 5 2HB GLU 5 -5.458 -1.314 -11.673 34 2HB GLU 5 3HB GLU 5 -5.055 0.347 -12.033 35 1HG GLU 5 2HG GLU 5 -6.426 -1.445 -14.081 36 2HG GLU 5 3HG GLU 5 -7.314 -0.505 -12.878 37 H ILE 6 H ILE 6 -3.222 1.243 -13.129 38 HA ILE 6 HA ILE 6 -0.601 0.820 -11.852 39 HB ILE 6 HB ILE 6 -0.246 3.244 -12.420 40 1HG1 ILE 6 2HG1 ILE 6 -2.841 3.557 -12.874 41 2HG1 ILE 6 3HG1 ILE 6 -1.607 4.500 -13.700 42 1HG2 ILE 6 1HG2 ILE 6 0.832 1.468 -13.629 43 2HG2 ILE 6 2HG2 ILE 6 -0.581 1.236 -14.672 44 3HG2 ILE 6 3HG2 ILE 6 0.357 2.747 -14.754 45 1HD1 ILE 6 1HD1 ILE 6 -1.791 3.228 -15.719 46 2HD1 ILE 6 2HD1 ILE 6 -2.836 2.015 -14.958 47 3HD1 ILE 6 3HD1 ILE 6 -3.422 3.669 -15.198 48 H ILE 7 H ILE 7 0.106 2.190 -10.182 49 HA ILE 7 HA ILE 7 -1.969 2.955 -8.196 50 HB ILE 7 HB ILE 7 -0.300 1.157 -7.741 51 1HG1 ILE 7 2HG1 ILE 7 -1.355 2.489 -5.887 52 2HG1 ILE 7 3HG1 ILE 7 0.098 1.570 -5.539 53 1HG2 ILE 7 1HG2 ILE 7 1.623 2.105 -8.971 54 2HG2 ILE 7 2HG2 ILE 7 1.802 3.362 -7.747 55 3HG2 ILE 7 3HG2 ILE 7 2.006 1.669 -7.306 56 1HD1 ILE 7 1HD1 ILE 7 1.489 3.550 -5.492 57 2HD1 ILE 7 2HD1 ILE 7 0.128 4.583 -5.969 58 3HD1 ILE 7 3HD1 ILE 7 0.107 3.748 -4.418 59 H ASP 8 H ASP 8 -2.005 5.097 -7.457 60 HA ASP 8 HA ASP 8 0.248 6.837 -7.513 61 1HB ASP 8 2HB ASP 8 -0.213 7.110 -9.920 62 2HB ASP 8 3HB ASP 8 -1.926 7.405 -9.584 63 H ILE 9 H ILE 9 -0.524 6.858 -5.177 64 HA ILE 9 HA ILE 9 -2.773 8.670 -4.757 65 HB ILE 9 HB ILE 9 -2.584 5.862 -3.563 66 1HG1 ILE 9 2HG1 ILE 9 -3.499 5.787 -5.904 67 2HG1 ILE 9 3HG1 ILE 9 -4.589 5.229 -4.660 68 1HG2 ILE 9 1HG2 ILE 9 -3.550 7.150 -1.876 69 2HG2 ILE 9 2HG2 ILE 9 -4.428 8.198 -3.035 70 3HG2 ILE 9 3HG2 ILE 9 -4.957 6.543 -2.753 71 1HD1 ILE 9 1HD1 ILE 9 -5.932 7.226 -4.749 72 2HD1 ILE 9 2HD1 ILE 9 -4.753 8.064 -5.768 73 3HD1 ILE 9 3HD1 ILE 9 -5.659 6.682 -6.408 74 H GLY 10 H GLY 10 -2.803 8.977 -2.248 75 1HA GLY 10 2HA GLY 10 -0.087 9.079 -1.094 76 2HA GLY 10 3HA GLY 10 -1.195 10.458 -0.985 77 HA PRO 11 HA PRO 11 -3.070 8.871 2.603 78 1HB PRO 11 2HB PRO 11 -5.841 8.864 2.123 79 2HB PRO 11 3HB PRO 11 -4.841 10.253 2.618 80 1HG PRO 11 2HG PRO 11 -5.677 9.477 -0.180 81 2HG PRO 11 3HG PRO 11 -5.695 11.099 0.569 82 1HD PRO 11 2HD PRO 11 -3.693 10.417 -1.064 83 2HD PRO 11 3HD PRO 11 -3.303 11.256 0.459 84 H PHE 12 H PHE 12 -4.882 7.284 -0.119 85 HA PHE 12 HA PHE 12 -5.498 4.989 1.404 86 1HB PHE 12 2HB PHE 12 -6.363 5.820 -0.957 87 2HB PHE 12 3HB PHE 12 -5.100 4.747 -1.570 88 HD1 PHE 12 1HD PHE 12 -8.215 4.917 0.464 89 HD2 PHE 12 2HD PHE 12 -5.425 2.361 -1.623 90 HE1 PHE 12 1HE PHE 12 -9.858 3.064 0.519 91 HE2 PHE 12 2HE PHE 12 -7.067 0.507 -1.519 92 HZ PHE 12 HZ PHE 12 -9.297 0.872 -0.499 93 H THR 13 H THR 13 -2.754 5.434 -0.926 94 HA THR 13 HA THR 13 -1.777 2.776 -0.426 95 HB THR 13 HB THR 13 -1.280 4.024 -2.471 96 HG1 THR 13 1HG THR 13 0.899 3.038 -0.960 97 1HG2 THR 13 1HG2 THR 13 -0.690 6.236 -1.494 98 2HG2 THR 13 2HG2 THR 13 0.788 5.529 -0.812 99 3HG2 THR 13 3HG2 THR 13 0.561 5.592 -2.569 100 H GLN 14 H GLN 14 -1.146 5.966 1.132 101 HA GLN 14 HA GLN 14 0.851 5.025 2.927 102 1HB GLN 14 2HB GLN 14 -1.098 7.300 2.854 103 2HB GLN 14 3HB GLN 14 -0.584 6.768 4.419 104 1HG GLN 14 2HG GLN 14 0.919 8.491 3.797 105 2HG GLN 14 3HG GLN 14 1.826 6.986 3.691 106 1HE2 GLN 14 2HE2 GLN 14 0.884 9.841 2.018 107 2HE2 GLN 14 1HE2 GLN 14 1.526 9.375 0.452 108 H ASN 15 H ASN 15 -2.733 4.911 3.098 109 HA ASN 15 HA ASN 15 -2.930 3.739 5.624 110 1HB ASN 15 2HB ASN 15 -4.819 4.577 4.115 111 2HB ASN 15 3HB ASN 15 -4.802 2.998 3.345 112 1HD2 ASN 15 2HD2 ASN 15 -6.200 1.500 4.198 113 2HD2 ASN 15 1HD2 ASN 15 -6.744 1.525 5.866 114 H LEU 16 H LEU 16 -2.804 2.014 2.443 115 HA LEU 16 HA LEU 16 -2.532 -0.622 3.543 116 1HB LEU 16 2HB LEU 16 -1.431 0.685 0.982 117 2HB LEU 16 3HB LEU 16 -1.193 -1.007 1.389 118 HG LEU 16 HG LEU 16 -3.747 -1.206 1.555 119 1HD1 LEU 16 1HD1 LEU 16 -4.469 1.098 1.547 120 2HD1 LEU 16 2HD1 LEU 16 -3.679 1.354 -0.040 121 3HD1 LEU 16 3HD1 LEU 16 -5.057 0.253 0.122 122 1HD2 LEU 16 1HD2 LEU 16 -2.491 -0.580 -1.153 123 2HD2 LEU 16 2HD2 LEU 16 -2.316 -2.123 -0.292 124 3HD2 LEU 16 3HD2 LEU 16 -3.914 -1.599 -0.846 125 H ALA 17 H ALA 17 0.028 1.783 2.889 126 HA ALA 17 HA ALA 17 2.188 0.087 3.551 127 1HB ALA 17 1HB ALA 17 2.343 2.258 2.387 128 2HB ALA 17 2HB ALA 17 1.941 3.102 3.892 129 3HB ALA 17 3HB ALA 17 3.446 2.169 3.782 130 H LYS 18 H LYS 18 0.417 2.417 5.643 131 HA LYS 18 HA LYS 18 1.791 1.815 8.021 132 1HB LYS 18 2HB LYS 18 -0.266 3.579 7.235 133 2HB LYS 18 3HB LYS 18 -1.053 2.562 8.423 134 1HG LYS 18 2HG LYS 18 1.518 4.168 8.819 135 2HG LYS 18 3HG LYS 18 -0.094 4.536 9.452 136 1HD LYS 18 2HD LYS 18 0.010 2.189 10.586 137 2HD LYS 18 3HD LYS 18 1.735 2.213 10.208 138 1HE LYS 18 2HE LYS 18 1.563 3.005 12.435 139 2HE LYS 18 3HE LYS 18 1.882 4.441 11.450 140 1HZ LYS 18 1HZ LYS 18 -0.485 4.896 11.526 141 2HZ LYS 18 2HZ LYS 18 -0.744 3.551 12.440 142 3HZ LYS 18 3HZ LYS 18 0.143 4.798 13.046 143 H PHE 19 H PHE 19 -1.229 0.548 6.654 144 HA PHE 19 HA PHE 19 -2.207 -1.019 8.702 145 1HB PHE 19 2HB PHE 19 -3.363 -0.677 6.583 146 2HB PHE 19 3HB PHE 19 -2.161 -1.614 5.720 147 HD1 PHE 19 1HD PHE 19 -4.939 -1.814 8.132 148 HD2 PHE 19 2HD PHE 19 -2.143 -4.060 5.795 149 HE1 PHE 19 1HE PHE 19 -6.447 -3.866 8.245 150 HE2 PHE 19 2HE PHE 19 -3.673 -5.993 5.807 151 HZ PHE 19 HZ PHE 19 -5.800 -5.913 7.103 152 H ALA 20 H ALA 20 0.058 -2.077 6.162 153 HA ALA 20 HA ALA 20 0.684 -4.618 7.068 154 1HB ALA 20 1HB ALA 20 2.948 -4.490 6.230 155 2HB ALA 20 2HB ALA 20 1.953 -3.579 5.102 156 3HB ALA 20 3HB ALA 20 2.958 -2.730 6.278 157 H VAL 21 H VAL 21 2.226 -1.618 8.360 158 HA VAL 21 HA VAL 21 3.891 -3.108 10.169 159 HB VAL 21 HB VAL 21 3.100 -0.162 10.233 160 1HG1 VAL 21 1HG1 VAL 21 4.199 -0.990 12.333 161 2HG1 VAL 21 2HG1 VAL 21 5.519 -1.671 11.364 162 3HG1 VAL 21 3HG1 VAL 21 5.282 0.083 11.435 163 1HG2 VAL 21 1HG2 VAL 21 5.277 0.204 9.044 164 2HG2 VAL 21 2HG2 VAL 21 5.373 -1.545 8.811 165 3HG2 VAL 21 3HG2 VAL 21 4.071 -0.626 8.047 166 H ASP 22 H ASP 22 1.043 -0.990 10.663 167 HA ASP 22 HA ASP 22 0.880 -1.278 13.457 168 1HB ASP 22 2HB ASP 22 -0.266 0.500 12.275 169 2HB ASP 22 3HB ASP 22 -1.260 -0.655 11.372 170 H GLU 23 H GLU 23 -1.007 -2.950 10.955 171 HA GLU 23 HA GLU 23 -2.479 -4.547 12.786 172 1HB GLU 23 2HB GLU 23 -2.716 -3.861 10.140 173 2HB GLU 23 3HB GLU 23 -2.203 -5.546 9.981 174 1HG GLU 23 2HG GLU 23 -4.504 -4.478 11.692 175 2HG GLU 23 3HG GLU 23 -4.670 -5.038 10.026 176 H GLU 24 H GLU 24 0.495 -5.210 10.815 177 HA GLU 24 HA GLU 24 0.728 -7.879 11.751 178 1HB GLU 24 2HB GLU 24 2.095 -7.079 9.847 179 2HB GLU 24 3HB GLU 24 2.978 -5.966 10.927 180 1HG GLU 24 2HG GLU 24 4.209 -8.019 10.409 181 2HG GLU 24 3HG GLU 24 3.923 -7.758 12.137 182 H ASN 25 H ASN 25 1.724 -4.758 13.185 183 HA ASN 25 HA ASN 25 3.187 -5.835 15.359 184 1HB ASN 25 2HB ASN 25 2.658 -3.277 14.512 185 2HB ASN 25 3HB ASN 25 1.571 -3.358 15.887 186 1HD2 ASN 25 2HD2 ASN 25 4.930 -3.756 14.786 187 2HD2 ASN 25 1HD2 ASN 25 5.672 -3.428 16.339 188 H LYS 26 H LYS 26 -0.250 -4.868 15.135 189 HA LYS 26 HA LYS 26 -1.138 -5.579 17.677 190 1HB LYS 26 2HB LYS 26 -2.367 -4.279 16.031 191 2HB LYS 26 3HB LYS 26 -2.563 -5.674 14.977 192 1HG LYS 26 2HG LYS 26 -3.680 -5.628 17.813 193 2HG LYS 26 3HG LYS 26 -4.525 -4.907 16.434 194 1HD LYS 26 2HD LYS 26 -4.365 -7.121 15.228 195 2HD LYS 26 3HD LYS 26 -3.796 -7.846 16.744 196 1HE LYS 26 2HE LYS 26 -5.870 -7.082 17.887 197 2HE LYS 26 3HE LYS 26 -6.456 -6.408 16.351 198 1HZ LYS 26 1HZ LYS 26 -6.377 -8.605 15.427 199 2HZ LYS 26 2HZ LYS 26 -5.839 -9.233 16.853 200 3HZ LYS 26 3HZ LYS 26 -7.344 -8.570 16.760 201 H ILE 27 H ILE 27 -0.984 -7.623 14.718 202 HA ILE 27 HA ILE 27 -1.957 -9.974 16.114 203 HB ILE 27 HB ILE 27 -0.562 -9.635 13.441 204 1HG1 ILE 27 2HG1 ILE 27 -3.460 -10.253 14.232 205 2HG1 ILE 27 3HG1 ILE 27 -2.865 -8.659 13.760 206 1HG2 ILE 27 1HG2 ILE 27 -0.126 -11.931 14.323 207 2HG2 ILE 27 2HG2 ILE 27 -1.863 -12.146 14.604 208 3HG2 ILE 27 3HG2 ILE 27 -1.217 -11.975 12.958 209 1HD1 ILE 27 1HD1 ILE 27 -2.232 -9.543 11.538 210 2HD1 ILE 27 2HD1 ILE 27 -2.965 -11.113 11.962 211 3HD1 ILE 27 3HD1 ILE 27 -3.971 -9.669 11.882 212 H GLY 28 H GLY 28 1.320 -8.788 15.361 213 1HA GLY 28 2HA GLY 28 3.358 -9.334 16.216 214 2HA GLY 28 3HA GLY 28 2.531 -10.141 17.559 215 H GLN 29 H GLN 29 2.640 -10.776 14.001 216 HA GLN 29 HA GLN 29 3.166 -13.640 14.517 217 1HB GLN 29 2HB GLN 29 1.491 -12.479 12.712 218 2HB GLN 29 3HB GLN 29 2.957 -12.495 11.751 219 1HG GLN 29 2HG GLN 29 2.061 -14.508 11.169 220 2HG GLN 29 3HG GLN 29 3.119 -15.029 12.483 221 1HE2 GLN 29 2HE2 GLN 29 1.194 -13.907 14.614 222 2HE2 GLN 29 1HE2 GLN 29 -0.138 -15.041 14.584 223 H TYR 30 H TYR 30 4.599 -10.939 12.680 224 HA TYR 30 HA TYR 30 7.312 -12.110 13.044 225 1HB TYR 30 2HB TYR 30 7.700 -11.361 10.576 226 2HB TYR 30 3HB TYR 30 7.042 -12.935 10.980 227 HD1 TYR 30 1HD TYR 30 6.067 -9.538 9.689 228 HD2 TYR 30 2HD TYR 30 4.971 -13.692 10.152 229 HE1 TYR 30 1HE TYR 30 4.128 -9.216 8.190 230 HE2 TYR 30 2HE TYR 30 3.142 -13.383 8.520 231 HH TYR 30 HH TYR 30 2.117 -11.911 7.033 232 H GLY 31 H GLY 31 5.518 -9.209 11.905 233 1HA GLY 31 2HA GLY 31 5.899 -7.026 12.809 234 2HA GLY 31 3HA GLY 31 7.479 -7.515 13.387 235 H ARG 32 H ARG 32 6.165 -5.472 11.281 236 HA ARG 32 HA ARG 32 7.655 -5.893 8.869 237 1HB ARG 32 2HB ARG 32 5.387 -4.803 9.274 238 2HB ARG 32 3HB ARG 32 6.267 -3.375 9.809 239 1HG ARG 32 2HG ARG 32 6.594 -4.687 7.055 240 2HG ARG 32 3HG ARG 32 5.332 -3.522 7.445 241 1HD ARG 32 2HD ARG 32 7.440 -2.039 8.238 242 2HD ARG 32 3HD ARG 32 8.259 -3.058 7.040 243 HE ARG 32 HE ARG 32 5.816 -2.032 5.962 244 1HH1 ARG 32 1HH2 ARG 32 9.006 -0.938 6.939 245 2HH1 ARG 32 2HH2 ARG 32 8.994 0.499 5.937 246 1HH2 ARG 32 1HH1 ARG 32 5.728 -0.143 4.699 247 2HH2 ARG 32 2HH1 ARG 32 7.079 0.954 4.637 248 H LEU 33 H LEU 33 9.551 -6.176 10.560 249 HA LEU 33 HA LEU 33 11.316 -5.247 11.790 250 1HB LEU 33 2HB LEU 33 11.946 -4.597 8.920 251 2HB LEU 33 3HB LEU 33 13.082 -4.850 10.259 252 HG LEU 33 HG LEU 33 11.562 -7.141 10.482 253 1HD1 LEU 33 1HD1 LEU 33 10.398 -6.496 8.245 254 2HD1 LEU 33 2HD1 LEU 33 11.969 -6.863 7.495 255 3HD1 LEU 33 3HD1 LEU 33 11.101 -8.118 8.378 256 1HD2 LEU 33 1HD2 LEU 33 14.049 -6.641 8.865 257 2HD2 LEU 33 2HD2 LEU 33 13.948 -7.163 10.551 258 3HD2 LEU 33 3HD2 LEU 33 13.444 -8.267 9.249 259 H THR 34 H THR 34 12.460 -2.692 9.997 260 HA THR 34 HA THR 34 11.402 -0.841 12.141 261 HB THR 34 HB THR 34 14.247 -0.982 11.182 262 HG1 THR 34 1HG THR 34 12.916 -2.185 13.374 263 1HG2 THR 34 1HG2 THR 34 13.601 1.188 12.202 264 2HG2 THR 34 2HG2 THR 34 12.914 0.338 13.602 265 3HG2 THR 34 3HG2 THR 34 14.658 0.277 13.288 266 H PHE 35 H PHE 35 9.871 -0.248 10.474 267 HA PHE 35 HA PHE 35 9.156 1.064 8.680 268 1HB PHE 35 2HB PHE 35 9.255 3.408 9.370 269 2HB PHE 35 3HB PHE 35 8.757 2.314 10.642 270 HD1 PHE 35 1HD PHE 35 10.262 1.833 12.589 271 HD2 PHE 35 2HD PHE 35 11.211 4.821 9.621 272 HE1 PHE 35 1HE PHE 35 11.769 2.970 14.198 273 HE2 PHE 35 2HE PHE 35 12.702 5.949 11.236 274 HZ PHE 35 HZ PHE 35 12.983 5.033 13.530 275 H ASN 36 H ASN 36 10.887 -0.068 7.337 276 HA ASN 36 HA ASN 36 13.302 1.388 6.878 277 1HB ASN 36 2HB ASN 36 12.955 -0.909 5.125 278 2HB ASN 36 3HB ASN 36 14.131 -0.573 6.350 279 1HD2 ASN 36 2HD2 ASN 36 10.868 -1.897 5.795 280 2HD2 ASN 36 1HD2 ASN 36 10.725 -2.725 7.350 281 H LYS 37 H LYS 37 11.450 -0.015 4.050 282 HA LYS 37 HA LYS 37 10.474 2.584 3.372 283 1HB LYS 37 2HB LYS 37 13.060 2.439 2.621 284 2HB LYS 37 3HB LYS 37 12.392 1.535 1.266 285 1HG LYS 37 2HG LYS 37 10.973 3.459 0.673 286 2HG LYS 37 3HG LYS 37 11.426 4.271 2.190 287 1HD LYS 37 2HD LYS 37 13.808 4.343 1.379 288 2HD LYS 37 3HD LYS 37 13.275 3.611 -0.143 289 1HE LYS 37 2HE LYS 37 13.457 6.009 -0.457 290 2HE LYS 37 3HE LYS 37 11.742 5.575 -0.510 291 1HZ LYS 37 1HZ LYS 37 11.561 6.319 1.760 292 2HZ LYS 37 2HZ LYS 37 13.167 6.681 1.816 293 3HZ LYS 37 3HZ LYS 37 12.167 7.522 0.814 294 H VAL 38 H VAL 38 9.278 2.464 1.220 295 HA VAL 38 HA VAL 38 8.675 -0.286 0.328 296 HB VAL 38 HB VAL 38 6.818 0.569 1.639 297 1HG1 VAL 38 1HG1 VAL 38 7.114 3.029 1.300 298 2HG1 VAL 38 2HG1 VAL 38 6.569 2.847 -0.382 299 3HG1 VAL 38 3HG1 VAL 38 5.465 2.495 0.955 300 1HG2 VAL 38 1HG2 VAL 38 6.219 0.461 -1.348 301 2HG2 VAL 38 2HG2 VAL 38 6.283 -0.908 -0.215 302 3HG2 VAL 38 3HG2 VAL 38 5.013 0.310 -0.057 303 H ILE 39 H ILE 39 8.988 -0.505 -1.867 304 HA ILE 39 HA ILE 39 10.323 1.819 -3.126 305 HB ILE 39 HB ILE 39 11.007 0.357 -4.865 306 1HG1 ILE 39 2HG1 ILE 39 10.346 -2.221 -4.366 307 2HG1 ILE 39 3HG1 ILE 39 8.851 -1.432 -3.838 308 1HG2 ILE 39 1HG2 ILE 39 12.210 0.295 -2.682 309 2HG2 ILE 39 2HG2 ILE 39 11.268 -1.144 -2.230 310 3HG2 ILE 39 3HG2 ILE 39 12.365 -1.197 -3.621 311 1HD1 ILE 39 1HD1 ILE 39 8.622 -0.413 -6.095 312 2HD1 ILE 39 2HD1 ILE 39 10.179 -1.123 -6.572 313 3HD1 ILE 39 3HD1 ILE 39 8.793 -2.167 -6.213 314 H ARG 40 H ARG 40 9.682 2.216 -5.539 315 HA ARG 40 HA ARG 40 6.883 1.828 -6.085 316 1HB ARG 40 2HB ARG 40 8.169 4.595 -5.893 317 2HB ARG 40 3HB ARG 40 6.711 4.280 -6.833 318 1HG ARG 40 2HG ARG 40 5.679 3.307 -4.686 319 2HG ARG 40 3HG ARG 40 7.052 4.028 -3.824 320 1HD ARG 40 2HD ARG 40 6.423 6.264 -4.758 321 2HD ARG 40 3HD ARG 40 5.071 5.491 -5.622 322 HE ARG 40 HE ARG 40 5.062 5.017 -2.747 323 1HH1 ARG 40 1HH2 ARG 40 4.059 7.298 -5.270 324 2HH1 ARG 40 2HH2 ARG 40 2.731 7.943 -4.342 325 1HH2 ARG 40 1HH1 ARG 40 3.377 5.950 -1.497 326 2HH2 ARG 40 2HH1 ARG 40 2.348 7.174 -2.185 327 HA PRO 41 HA PRO 41 5.648 2.706 -8.042 328 1HB PRO 41 2HB PRO 41 4.772 1.514 -10.315 329 2HB PRO 41 3HB PRO 41 5.568 3.111 -10.320 330 1HG PRO 41 2HG PRO 41 6.850 0.416 -10.859 331 2HG PRO 41 3HG PRO 41 6.944 1.891 -11.869 332 1HD PRO 41 2HD PRO 41 8.899 1.243 -10.060 333 2HD PRO 41 3HD PRO 41 8.422 2.942 -10.329 334 H CYS 42 H CYS 42 3.795 1.119 -8.215 335 HA CYS 42 HA CYS 42 4.332 -1.659 -7.381 336 1HB CYS 42 2HB CYS 42 2.797 0.427 -5.774 337 2HB CYS 42 3HB CYS 42 2.566 -1.302 -5.549 338 HG CYS 42 HG CYS 42 4.122 -0.027 -3.747 339 H MET 43 H MET 43 1.696 -2.555 -7.293 340 HA MET 43 HA MET 43 0.321 -1.207 -9.534 341 1HB MET 43 2HB MET 43 2.324 -2.850 -10.246 342 2HB MET 43 3HB MET 43 1.102 -4.094 -10.009 343 1HG MET 43 2HG MET 43 -0.229 -3.160 -11.799 344 2HG MET 43 3HG MET 43 0.618 -1.614 -11.713 345 1HE MET 43 1HE MET 43 2.498 -5.087 -11.733 346 2HE MET 43 2HE MET 43 1.093 -5.407 -12.786 347 3HE MET 43 3HE MET 43 2.727 -5.310 -13.480 348 H LYS 44 H LYS 44 -1.764 -1.969 -10.027 349 HA LYS 44 HA LYS 44 -3.050 -3.172 -7.611 350 1HB LYS 44 2HB LYS 44 -3.695 -0.840 -8.123 351 2HB LYS 44 3HB LYS 44 -4.229 -1.349 -9.733 352 1HG LYS 44 2HG LYS 44 -5.923 -2.876 -8.671 353 2HG LYS 44 3HG LYS 44 -5.301 -2.425 -7.080 354 1HD LYS 44 2HD LYS 44 -7.334 -1.275 -7.465 355 2HD LYS 44 3HD LYS 44 -6.022 -0.078 -7.501 356 1HE LYS 44 2HE LYS 44 -6.130 0.120 -9.884 357 2HE LYS 44 3HE LYS 44 -7.164 -1.321 -10.039 358 1HZ LYS 44 1HZ LYS 44 -8.891 -0.141 -8.933 359 2HZ LYS 44 2HZ LYS 44 -7.944 1.201 -8.771 360 3HZ LYS 44 3HZ LYS 44 -8.396 0.683 -10.268 361 H LYS 45 H LYS 45 -4.592 -4.796 -7.915 362 HA LYS 45 HA LYS 45 -4.696 -6.147 -10.577 363 1HB LYS 45 2HB LYS 45 -2.891 -7.103 -9.171 364 2HB LYS 45 3HB LYS 45 -4.023 -7.235 -7.829 365 1HG LYS 45 2HG LYS 45 -5.346 -8.688 -9.791 366 2HG LYS 45 3HG LYS 45 -3.701 -9.018 -10.220 367 1HD LYS 45 2HD LYS 45 -4.796 -9.298 -7.388 368 2HD LYS 45 3HD LYS 45 -4.999 -10.538 -8.604 369 1HE LYS 45 2HE LYS 45 -3.060 -11.158 -7.309 370 2HE LYS 45 3HE LYS 45 -2.484 -10.643 -8.900 371 1HZ LYS 45 1HZ LYS 45 -1.993 -8.489 -7.890 372 2HZ LYS 45 2HZ LYS 45 -2.473 -9.074 -6.417 373 3HZ LYS 45 3HZ LYS 45 -1.161 -9.718 -7.174 374 H THR 46 H THR 46 -6.719 -7.082 -10.953 375 HA THR 46 HA THR 46 -8.756 -7.077 -8.779 376 HB THR 46 HB THR 46 -9.613 -6.323 -10.771 377 HG1 THR 46 1HG THR 46 -10.266 -9.061 -10.377 378 1HG2 THR 46 1HG2 THR 46 -7.970 -8.399 -12.180 379 2HG2 THR 46 2HG2 THR 46 -9.533 -7.948 -12.858 380 3HG2 THR 46 3HG2 THR 46 -8.307 -6.707 -12.568 381 H ILE 47 H ILE 47 -8.824 -8.844 -7.548 382 HA ILE 47 HA ILE 47 -7.280 -11.273 -8.139 383 HB ILE 47 HB ILE 47 -7.370 -10.759 -5.874 384 1HG1 ILE 47 2HG1 ILE 47 -9.367 -13.042 -6.319 385 2HG1 ILE 47 3HG1 ILE 47 -7.615 -13.173 -6.561 386 1HG2 ILE 47 1HG2 ILE 47 -9.182 -9.325 -5.651 387 2HG2 ILE 47 2HG2 ILE 47 -10.368 -10.574 -6.155 388 3HG2 ILE 47 3HG2 ILE 47 -9.538 -10.666 -4.583 389 1HD1 ILE 47 1HD1 ILE 47 -7.326 -12.561 -4.124 390 2HD1 ILE 47 2HD1 ILE 47 -9.089 -12.703 -3.942 391 3HD1 ILE 47 3HD1 ILE 47 -8.138 -14.104 -4.437 392 H TYR 48 H TYR 48 -8.351 -13.310 -8.509 393 HA TYR 48 HA TYR 48 -10.928 -13.083 -10.019 394 1HB TYR 48 2HB TYR 48 -8.508 -14.897 -10.348 395 2HB TYR 48 3HB TYR 48 -10.021 -15.024 -11.227 396 HD1 TYR 48 1HD TYR 48 -9.923 -11.715 -11.443 397 HD2 TYR 48 2HD TYR 48 -7.262 -14.932 -12.475 398 HE1 TYR 48 1HE TYR 48 -8.859 -10.283 -13.148 399 HE2 TYR 48 2HE TYR 48 -6.184 -13.485 -14.177 400 HH TYR 48 HH TYR 48 -7.441 -10.232 -14.969 401 H GLU 49 H GLU 49 -12.400 -14.653 -9.654 402 HA GLU 49 HA GLU 49 -12.138 -16.354 -7.271 403 1HB GLU 49 2HB GLU 49 -14.065 -14.831 -7.835 404 2HB GLU 49 3HB GLU 49 -14.464 -15.920 -9.176 405 1HG GLU 49 2HG GLU 49 -14.821 -17.760 -7.522 406 2HG GLU 49 3HG GLU 49 -14.295 -16.690 -6.212 407 H ASN 50 H ASN 50 -10.340 -17.094 -9.012 408 HA ASN 50 HA ASN 50 -9.424 -18.886 -10.062 409 1HB ASN 50 2HB ASN 50 -10.740 -20.238 -8.422 410 2HB ASN 50 3HB ASN 50 -12.073 -20.319 -9.583 411 1HD2 ASN 50 2HD2 ASN 50 -12.069 -22.571 -9.825 412 2HD2 ASN 50 1HD2 ASN 50 -10.739 -23.410 -10.598 413 H GLU 51 H GLU 51 -9.646 -20.340 -12.061 414 HA GLU 51 HA GLU 51 -10.725 -18.977 -14.297 415 1HB GLU 51 2HB GLU 51 -8.808 -20.780 -14.048 416 2HB GLU 51 3HB GLU 51 -10.112 -21.955 -14.239 417 1HG GLU 51 2HG GLU 51 -9.427 -19.712 -16.215 418 2HG GLU 51 3HG GLU 51 -8.802 -21.358 -16.315 419 H GLY 52 H GLY 52 -12.562 -19.950 -15.644 420 1HA GLY 52 2HA GLY 52 -14.532 -21.086 -15.917 421 2HA GLY 52 3HA GLY 52 -14.504 -21.623 -14.240 422 H PHE 53 H PHE 53 -13.965 -18.319 -15.036 423 HA PHE 53 HA PHE 53 -15.529 -16.756 -15.946 424 1HB PHE 53 2HB PHE 53 -17.459 -17.877 -13.902 425 2HB PHE 53 3HB PHE 53 -17.538 -16.243 -14.470 426 HD1 PHE 53 1HD PHE 53 -18.348 -19.678 -15.435 427 HD2 PHE 53 2HD PHE 53 -17.961 -15.602 -16.806 428 HE1 PHE 53 1HE PHE 53 -19.628 -20.235 -17.468 429 HE2 PHE 53 2HE PHE 53 -19.320 -16.154 -18.798 430 HZ PHE 53 HZ PHE 53 -20.137 -18.475 -19.148 431 H ARG 54 H ARG 54 -14.644 -14.884 -15.465 432 HA ARG 54 HA ARG 54 -13.272 -14.455 -12.957 433 1HB ARG 54 2HB ARG 54 -12.470 -13.670 -15.201 434 2HB ARG 54 3HB ARG 54 -13.807 -12.503 -15.231 435 1HG ARG 54 2HG ARG 54 -12.913 -11.577 -13.036 436 2HG ARG 54 3HG ARG 54 -11.545 -12.677 -13.189 437 1HD ARG 54 2HD ARG 54 -12.328 -10.517 -15.219 438 2HD ARG 54 3HD ARG 54 -11.139 -10.318 -13.946 439 HE ARG 54 HE ARG 54 -9.649 -11.803 -14.939 440 1HH1 ARG 54 1HH2 ARG 54 -12.519 -11.494 -16.983 441 2HH1 ARG 54 2HH2 ARG 54 -11.680 -11.951 -18.439 442 1HH2 ARG 54 1HH1 ARG 54 -8.560 -12.363 -16.798 443 2HH2 ARG 54 2HH1 ARG 54 -9.394 -12.510 -18.321 444 H GLU 55 H GLU 55 -15.398 -14.874 -11.772 445 HA GLU 55 HA GLU 55 -17.194 -12.591 -11.538 446 1HB GLU 55 2HB GLU 55 -17.838 -14.986 -11.073 447 2HB GLU 55 3HB GLU 55 -16.754 -14.979 -9.680 448 1HG GLU 55 2HG GLU 55 -19.012 -14.624 -8.917 449 2HG GLU 55 3HG GLU 55 -18.126 -13.115 -8.681 450 H ILE 56 H ILE 56 -15.765 -10.823 -11.124 451 HA ILE 56 HA ILE 56 -13.529 -10.824 -9.476 452 HB ILE 56 HB ILE 56 -15.382 -8.470 -10.050 453 1HG1 ILE 56 2HG1 ILE 56 -13.039 -8.187 -11.539 454 2HG1 ILE 56 3HG1 ILE 56 -13.303 -9.919 -11.616 455 1HG2 ILE 56 1HG2 ILE 56 -13.938 -7.943 -8.136 456 2HG2 ILE 56 2HG2 ILE 56 -12.522 -8.557 -9.006 457 3HG2 ILE 56 3HG2 ILE 56 -13.360 -7.092 -9.564 458 1HD1 ILE 56 1HD1 ILE 56 -15.643 -9.444 -12.490 459 2HD1 ILE 56 2HD1 ILE 56 -15.273 -7.713 -12.396 460 3HD1 ILE 56 3HD1 ILE 56 -14.366 -8.758 -13.506 461 H LYS 57 H LYS 57 -13.573 -11.684 -7.507 462 HA LYS 57 HA LYS 57 -15.656 -11.236 -5.562 463 1HB LYS 57 2HB LYS 57 -14.382 -13.315 -5.931 464 2HB LYS 57 3HB LYS 57 -12.908 -12.555 -5.338 465 1HG LYS 57 2HG LYS 57 -15.456 -12.866 -3.673 466 2HG LYS 57 3HG LYS 57 -14.212 -14.113 -3.811 467 1HD LYS 57 2HD LYS 57 -12.534 -12.245 -3.043 468 2HD LYS 57 3HD LYS 57 -13.980 -11.418 -2.444 469 1HE LYS 57 2HE LYS 57 -13.063 -14.219 -1.677 470 2HE LYS 57 3HE LYS 57 -12.954 -12.760 -0.682 471 1HZ LYS 57 1HZ LYS 57 -15.339 -12.632 -0.705 472 2HZ LYS 57 2HZ LYS 57 -15.444 -13.995 -1.625 473 3HZ LYS 57 3HZ LYS 57 -14.838 -14.079 -0.096 474 H GLY 58 H GLY 58 -12.473 -9.775 -6.264 475 1HA GLY 58 2HA GLY 58 -12.871 -7.722 -4.226 476 2HA GLY 58 3HA GLY 58 -11.600 -8.896 -3.862 477 H TYR 59 H TYR 59 -10.823 -6.461 -3.984 478 HA TYR 59 HA TYR 59 -9.389 -6.075 -6.548 479 1HB TYR 59 2HB TYR 59 -10.516 -4.222 -4.475 480 2HB TYR 59 3HB TYR 59 -8.813 -3.941 -4.800 481 HD1 TYR 59 1HD TYR 59 -8.183 -4.173 -7.313 482 HD2 TYR 59 2HD TYR 59 -11.994 -2.896 -5.861 483 HE1 TYR 59 1HE TYR 59 -8.692 -3.164 -9.571 484 HE2 TYR 59 2HE TYR 59 -12.491 -1.818 -8.036 485 HH TYR 59 HH TYR 59 -11.778 -1.481 -10.219 486 H GLU 60 H GLU 60 -7.004 -5.743 -6.220 487 HA GLU 60 HA GLU 60 -5.979 -6.443 -3.578 488 1HB GLU 60 2HB GLU 60 -5.937 -8.173 -5.951 489 2HB GLU 60 3HB GLU 60 -4.301 -7.707 -5.462 490 1HG GLU 60 2HG GLU 60 -4.904 -8.466 -3.102 491 2HG GLU 60 3HG GLU 60 -6.423 -9.097 -3.774 492 H TYR 61 H TYR 61 -3.901 -5.578 -3.264 493 HA TYR 61 HA TYR 61 -2.822 -3.742 -5.391 494 1HB TYR 61 2HB TYR 61 -2.975 -3.268 -2.392 495 2HB TYR 61 3HB TYR 61 -2.228 -2.202 -3.577 496 HD1 TYR 61 1HD TYR 61 -5.401 -3.420 -2.137 497 HD2 TYR 61 2HD TYR 61 -3.614 -0.762 -5.024 498 HE1 TYR 61 1HE TYR 61 -7.619 -2.383 -2.571 499 HE2 TYR 61 2HE TYR 61 -5.775 0.424 -5.255 500 HH TYR 61 HH TYR 61 -8.021 0.448 -4.695 501 H GLN 62 H GLN 62 -0.878 -4.625 -5.997 502 HA GLN 62 HA GLN 62 0.568 -6.275 -3.981 503 1HB GLN 62 2HB GLN 62 -0.008 -7.298 -6.183 504 2HB GLN 62 3HB GLN 62 1.055 -6.126 -6.970 505 1HG GLN 62 2HG GLN 62 3.004 -7.019 -6.007 506 2HG GLN 62 3HG GLN 62 2.146 -7.732 -4.638 507 1HE2 GLN 62 2HE2 GLN 62 0.392 -9.438 -5.323 508 2HE2 GLN 62 1HE2 GLN 62 1.047 -10.657 -6.422 509 H LEU 63 H LEU 63 2.125 -5.225 -2.893 510 HA LEU 63 HA LEU 63 3.698 -3.172 -4.305 511 1HB LEU 63 2HB LEU 63 3.632 -1.721 -2.294 512 2HB LEU 63 3HB LEU 63 2.109 -1.893 -3.159 513 HG LEU 63 HG LEU 63 1.424 -3.616 -1.372 514 1HD1 LEU 63 1HD1 LEU 63 3.710 -3.936 -0.376 515 2HD1 LEU 63 2HD1 LEU 63 3.722 -2.227 0.099 516 3HD1 LEU 63 3HD1 LEU 63 2.554 -3.352 0.816 517 1HD2 LEU 63 1HD2 LEU 63 1.837 -0.700 -0.620 518 2HD2 LEU 63 2HD2 LEU 63 0.480 -1.367 -1.554 519 3HD2 LEU 63 3HD2 LEU 63 0.694 -1.830 0.137 520 H TYR 64 H TYR 64 5.629 -2.590 -2.892 521 HA TYR 64 HA TYR 64 6.968 -5.157 -2.142 522 1HB TYR 64 2HB TYR 64 7.413 -3.053 -4.242 523 2HB TYR 64 3HB TYR 64 8.808 -3.813 -3.488 524 HD1 TYR 64 1HD TYR 64 9.488 -6.038 -4.114 525 HD2 TYR 64 2HD TYR 64 5.694 -4.488 -5.457 526 HE1 TYR 64 1HE TYR 64 9.321 -7.865 -5.765 527 HE2 TYR 64 2HE TYR 64 5.452 -6.430 -6.981 528 HH TYR 64 HH TYR 64 8.003 -8.908 -7.333 529 H VAL 65 H VAL 65 7.301 -4.887 -0.008 530 HA VAL 65 HA VAL 65 8.019 -2.222 1.111 531 HB VAL 65 HB VAL 65 7.272 -4.883 2.370 532 1HG1 VAL 65 1HG1 VAL 65 8.924 -3.748 3.795 533 2HG1 VAL 65 2HG1 VAL 65 8.021 -2.227 3.667 534 3HG1 VAL 65 3HG1 VAL 65 7.316 -3.633 4.507 535 1HG2 VAL 65 1HG2 VAL 65 5.872 -2.164 2.300 536 2HG2 VAL 65 2HG2 VAL 65 5.383 -3.602 1.382 537 3HG2 VAL 65 3HG2 VAL 65 5.295 -3.614 3.150 538 H TYR 66 H TYR 66 10.193 -1.782 1.303 539 HA TYR 66 HA TYR 66 12.173 -3.955 1.148 540 1HB TYR 66 2HB TYR 66 12.560 -1.722 0.034 541 2HB TYR 66 3HB TYR 66 12.614 -0.994 1.632 542 HD1 TYR 66 1HD TYR 66 14.078 -3.940 -0.114 543 HD2 TYR 66 2HD TYR 66 14.833 -0.583 2.440 544 HE1 TYR 66 1HE TYR 66 16.523 -4.258 -0.453 545 HE2 TYR 66 2HE TYR 66 17.272 -0.954 2.198 546 HH TYR 66 HH TYR 66 18.935 -2.474 1.338 547 H ALA 67 H ALA 67 12.844 -4.950 3.016 548 HA ALA 67 HA ALA 67 12.843 -3.435 5.475 549 1HB ALA 67 1HB ALA 67 10.455 -4.346 5.345 550 2HB ALA 67 2HB ALA 67 11.148 -5.969 5.482 551 3HB ALA 67 3HB ALA 67 11.373 -4.790 6.778 552 H SER 68 H SER 68 13.935 -4.584 7.238 553 HA SER 68 HA SER 68 15.821 -5.579 7.918 554 1HB SER 68 2HB SER 68 14.631 -7.732 7.023 555 2HB SER 68 3HB SER 68 15.791 -7.683 5.713 556 HG SER 68 HG SER 68 17.440 -7.585 7.398 557 H ASP 69 H ASP 69 16.151 -6.193 4.455 558 HA ASP 69 HA ASP 69 17.253 -3.960 3.517 559 1HB ASP 69 2HB ASP 69 19.260 -4.479 5.054 560 2HB ASP 69 3HB ASP 69 19.480 -5.969 4.127 561 H LYS 70 H LYS 70 15.393 -5.954 2.870 562 HA LYS 70 HA LYS 70 16.310 -6.900 0.264 563 1HB LYS 70 2HB LYS 70 15.206 -8.741 2.464 564 2HB LYS 70 3HB LYS 70 15.212 -9.124 0.744 565 1HG LYS 70 2HG LYS 70 17.153 -10.143 1.159 566 2HG LYS 70 3HG LYS 70 17.845 -8.524 1.012 567 1HD LYS 70 2HD LYS 70 17.634 -8.299 3.538 568 2HD LYS 70 3HD LYS 70 17.033 -9.969 3.585 569 1HE LYS 70 2HE LYS 70 19.171 -10.717 2.478 570 2HE LYS 70 3HE LYS 70 19.758 -9.043 2.548 571 1HZ LYS 70 1HZ LYS 70 19.585 -9.157 4.929 572 2HZ LYS 70 2HZ LYS 70 19.037 -10.712 4.855 573 3HZ LYS 70 3HZ LYS 70 20.565 -10.352 4.358 574 H LEU 71 H LEU 71 14.261 -7.700 -0.912 575 HA LEU 71 HA LEU 71 12.086 -5.794 -0.208 576 1HB LEU 71 2HB LEU 71 12.734 -7.319 -2.745 577 2HB LEU 71 3HB LEU 71 11.218 -6.459 -2.433 578 HG LEU 71 HG LEU 71 12.811 -4.420 -1.893 579 1HD1 LEU 71 1HD1 LEU 71 14.982 -5.671 -2.110 580 2HD1 LEU 71 2HD1 LEU 71 14.545 -6.117 -3.769 581 3HD1 LEU 71 3HD1 LEU 71 14.841 -4.420 -3.347 582 1HD2 LEU 71 1HD2 LEU 71 12.247 -5.441 -4.705 583 2HD2 LEU 71 2HD2 LEU 71 11.190 -4.433 -3.691 584 3HD2 LEU 71 3HD2 LEU 71 12.714 -3.776 -4.299 585 H PHE 72 H PHE 72 10.278 -6.510 0.706 586 HA PHE 72 HA PHE 72 9.625 -9.423 0.676 587 1HB PHE 72 2HB PHE 72 8.955 -7.140 2.570 588 2HB PHE 72 3HB PHE 72 8.081 -8.640 2.555 589 HD1 PHE 72 1HD PHE 72 11.089 -7.027 3.567 590 HD2 PHE 72 2HD PHE 72 9.259 -10.856 3.045 591 HE1 PHE 72 1HE PHE 72 12.965 -8.089 4.874 592 HE2 PHE 72 2HE PHE 72 11.022 -11.907 4.446 593 HZ PHE 72 HZ PHE 72 12.886 -10.530 5.343 594 H ARG 73 H ARG 73 8.130 -9.845 -0.848 595 HA ARG 73 HA ARG 73 6.668 -7.792 -2.252 596 1HB ARG 73 2HB ARG 73 7.184 -10.558 -2.638 597 2HB ARG 73 3HB ARG 73 5.485 -10.500 -2.173 598 1HG ARG 73 2HG ARG 73 5.237 -8.661 -4.004 599 2HG ARG 73 3HG ARG 73 6.881 -9.123 -4.484 600 1HD ARG 73 2HD ARG 73 5.307 -10.350 -5.862 601 2HD ARG 73 3HD ARG 73 6.108 -11.480 -4.747 602 HE ARG 73 HE ARG 73 3.584 -10.332 -3.779 603 1HH1 ARG 73 1HH2 ARG 73 4.954 -12.965 -5.697 604 2HH1 ARG 73 2HH2 ARG 73 3.620 -14.049 -5.417 605 1HH2 ARG 73 1HH1 ARG 73 1.817 -11.709 -3.452 606 2HH2 ARG 73 2HH1 ARG 73 1.804 -13.321 -4.108 607 H ALA 74 H ALA 74 4.455 -7.109 -1.610 608 HA ALA 74 HA ALA 74 3.293 -8.516 0.704 609 1HB ALA 74 1HB ALA 74 4.840 -7.146 1.877 610 2HB ALA 74 2HB ALA 74 4.520 -5.751 0.849 611 3HB ALA 74 3HB ALA 74 3.287 -6.303 1.988 612 H ASP 75 H ASP 75 1.148 -8.654 0.316 613 HA ASP 75 HA ASP 75 -0.006 -6.712 -1.623 614 1HB ASP 75 2HB ASP 75 0.426 -9.272 -2.138 615 2HB ASP 75 3HB ASP 75 -1.052 -9.509 -1.208 616 H ILE 76 H ILE 76 -2.375 -6.418 -1.377 617 HA ILE 76 HA ILE 76 -3.569 -7.171 1.216 618 HB ILE 76 HB ILE 76 -3.192 -4.339 0.246 619 1HG1 ILE 76 2HG1 ILE 76 -3.618 -5.485 3.055 620 2HG1 ILE 76 3HG1 ILE 76 -2.049 -5.415 2.253 621 1HG2 ILE 76 1HG2 ILE 76 -5.637 -4.544 0.092 622 2HG2 ILE 76 2HG2 ILE 76 -5.697 -5.272 1.713 623 3HG2 ILE 76 3HG2 ILE 76 -5.218 -3.578 1.481 624 1HD1 ILE 76 1HD1 ILE 76 -2.296 -2.957 1.996 625 2HD1 ILE 76 2HD1 ILE 76 -3.759 -3.026 3.022 626 3HD1 ILE 76 3HD1 ILE 76 -2.189 -3.488 3.667 627 H SER 77 H SER 77 -5.510 -7.993 0.797 628 HA SER 77 HA SER 77 -6.743 -7.662 -1.904 629 1HB SER 77 2HB SER 77 -6.411 -9.993 -1.322 630 2HB SER 77 3HB SER 77 -7.246 -9.727 0.229 631 HG SER 77 HG SER 77 -8.576 -10.612 -1.487 632 H GLU 78 H GLU 78 -8.854 -6.786 -1.976 633 HA GLU 78 HA GLU 78 -10.003 -5.907 0.551 634 1HB GLU 78 2HB GLU 78 -9.846 -4.196 -1.947 635 2HB GLU 78 3HB GLU 78 -10.747 -3.839 -0.484 636 1HG GLU 78 2HG GLU 78 -8.514 -4.050 0.797 637 2HG GLU 78 3HG GLU 78 -7.727 -3.992 -0.783 638 H ASP 79 H ASP 79 -12.141 -5.795 0.593 639 HA ASP 79 HA ASP 79 -13.503 -7.862 -0.876 640 1HB ASP 79 2HB ASP 79 -13.860 -7.221 1.549 641 2HB ASP 79 3HB ASP 79 -14.685 -5.759 1.001 642 H TYR 80 H TYR 80 -14.489 -7.645 -2.899 643 HA TYR 80 HA TYR 80 -14.867 -5.175 -4.234 644 1HB TYR 80 2HB TYR 80 -14.756 -7.358 -5.372 645 2HB TYR 80 3HB TYR 80 -16.291 -7.832 -4.640 646 HD1 TYR 80 1HD TYR 80 -14.625 -5.644 -7.132 647 HD2 TYR 80 2HD TYR 80 -18.399 -7.003 -5.548 648 HE1 TYR 80 1HE TYR 80 -15.786 -4.728 -9.115 649 HE2 TYR 80 2HE TYR 80 -19.564 -6.048 -7.519 650 HH TYR 80 HH TYR 80 -17.810 -4.399 -10.159 651 H LYS 81 H LYS 81 -16.900 -6.861 -1.871 652 HA LYS 81 HA LYS 81 -19.378 -5.623 -2.393 653 1HB LYS 81 2HB LYS 81 -18.850 -7.483 -0.708 654 2HB LYS 81 3HB LYS 81 -18.137 -6.233 0.324 655 1HG LYS 81 2HG LYS 81 -20.283 -6.652 1.163 656 2HG LYS 81 3HG LYS 81 -20.386 -5.069 0.389 657 1HD LYS 81 2HD LYS 81 -21.434 -6.109 -1.611 658 2HD LYS 81 3HD LYS 81 -21.210 -7.712 -0.883 659 1HE LYS 81 2HE LYS 81 -22.647 -6.822 1.093 660 2HE LYS 81 3HE LYS 81 -23.051 -5.463 0.031 661 1HZ LYS 81 1HZ LYS 81 -23.895 -7.088 -1.544 662 2HZ LYS 81 2HZ LYS 81 -23.537 -8.310 -0.501 663 3HZ LYS 81 3HZ LYS 81 -24.669 -7.190 -0.095 664 H THR 82 H THR 82 -16.410 -4.403 -0.768 665 HA THR 82 HA THR 82 -17.559 -1.706 -0.622 666 HB THR 82 HB THR 82 -16.796 -3.246 1.897 667 HG1 THR 82 1HG THR 82 -19.221 -2.858 0.583 668 1HG2 THR 82 1HG2 THR 82 -16.483 -0.751 1.923 669 2HG2 THR 82 2HG2 THR 82 -18.155 -0.585 1.344 670 3HG2 THR 82 3HG2 THR 82 -17.831 -1.295 2.956 671 H ARG 83 H ARG 83 -15.052 -2.311 1.654 672 HA ARG 83 HA ARG 83 -12.824 -2.332 -0.150 673 1HB ARG 83 2HB ARG 83 -11.948 -0.129 0.244 674 2HB ARG 83 3HB ARG 83 -13.567 0.033 -0.423 675 1HG ARG 83 2HG ARG 83 -14.362 0.335 2.045 676 2HG ARG 83 3HG ARG 83 -12.638 0.518 2.426 677 1HD ARG 83 2HD ARG 83 -12.579 2.316 0.584 678 2HD ARG 83 3HD ARG 83 -14.356 2.223 0.598 679 HE ARG 83 HE ARG 83 -13.227 2.591 3.246 680 1HH1 ARG 83 1HH2 ARG 83 -14.103 4.328 0.294 681 2HH1 ARG 83 2HH2 ARG 83 -14.193 5.886 1.069 682 1HH2 ARG 83 1HH1 ARG 83 -13.293 4.629 4.261 683 2HH2 ARG 83 2HH1 ARG 83 -13.717 6.058 3.361 684 H GLY 84 H GLY 84 -13.891 -3.804 2.202 685 1HA GLY 84 2HA GLY 84 -12.243 -3.133 4.479 686 2HA GLY 84 3HA GLY 84 -13.152 -4.623 4.272 687 H ARG 85 H ARG 85 -10.246 -3.832 4.834 688 HA ARG 85 HA ARG 85 -8.780 -5.145 2.655 689 1HB ARG 85 2HB ARG 85 -7.081 -4.149 4.818 690 2HB ARG 85 3HB ARG 85 -7.045 -3.810 3.107 691 1HG ARG 85 2HG ARG 85 -7.381 -1.736 4.157 692 2HG ARG 85 3HG ARG 85 -8.967 -2.143 3.524 693 1HD ARG 85 2HD ARG 85 -8.704 -3.284 6.196 694 2HD ARG 85 3HD ARG 85 -8.122 -1.618 6.268 695 HE ARG 85 HE ARG 85 -10.465 -1.345 4.890 696 1HH1 ARG 85 1HH2 ARG 85 -9.633 -2.824 7.999 697 2HH1 ARG 85 2HH2 ARG 85 -11.199 -2.554 8.706 698 1HH2 ARG 85 1HH1 ARG 85 -12.501 -0.951 5.823 699 2HH2 ARG 85 2HH1 ARG 85 -12.853 -1.458 7.453 700 H LYS 86 H LYS 86 -7.633 -6.991 2.800 701 HA LYS 86 HA LYS 86 -7.279 -8.198 5.486 702 1HB LYS 86 2HB LYS 86 -7.899 -9.593 2.861 703 2HB LYS 86 3HB LYS 86 -7.271 -10.429 4.278 704 1HG LYS 86 2HG LYS 86 -9.923 -8.962 4.044 705 2HG LYS 86 3HG LYS 86 -9.669 -10.697 4.199 706 1HD LYS 86 2HD LYS 86 -9.324 -8.539 6.316 707 2HD LYS 86 3HD LYS 86 -10.407 -9.912 6.329 708 1HE LYS 86 2HE LYS 86 -7.354 -10.064 6.605 709 2HE LYS 86 3HE LYS 86 -8.531 -10.190 7.898 710 1HZ LYS 86 1HZ LYS 86 -7.802 -12.332 7.140 711 2HZ LYS 86 2HZ LYS 86 -9.410 -12.153 6.825 712 3HZ LYS 86 3HZ LYS 86 -8.310 -12.020 5.604 713 H LEU 87 H LEU 87 -5.377 -8.196 6.105 714 HA LEU 87 HA LEU 87 -2.951 -7.769 4.964 715 1HB LEU 87 2HB LEU 87 -3.694 -8.111 7.372 716 2HB LEU 87 3HB LEU 87 -3.615 -9.850 7.115 717 HG LEU 87 HG LEU 87 -1.281 -7.917 6.868 718 1HD1 LEU 87 1HD1 LEU 87 -2.147 -7.875 9.128 719 2HD1 LEU 87 2HD1 LEU 87 -2.105 -9.651 9.203 720 3HD1 LEU 87 3HD1 LEU 87 -0.594 -8.719 9.093 721 1HD2 LEU 87 1HD2 LEU 87 -1.378 -10.974 7.117 722 2HD2 LEU 87 2HD2 LEU 87 -0.784 -10.079 5.707 723 3HD2 LEU 87 3HD2 LEU 87 0.103 -10.004 7.225 724 H LEU 88 H LEU 88 -2.171 -8.520 3.125 725 HA LEU 88 HA LEU 88 -1.422 -11.379 3.036 726 1HB LEU 88 2HB LEU 88 -2.481 -9.674 0.783 727 2HB LEU 88 3HB LEU 88 -1.575 -11.168 0.499 728 HG LEU 88 HG LEU 88 -4.153 -11.073 2.117 729 1HD1 LEU 88 1HD1 LEU 88 -5.251 -11.903 0.094 730 2HD1 LEU 88 2HD1 LEU 88 -4.494 -10.323 -0.203 731 3HD1 LEU 88 3HD1 LEU 88 -3.723 -11.801 -0.810 732 1HD2 LEU 88 1HD2 LEU 88 -2.578 -13.367 0.840 733 2HD2 LEU 88 2HD2 LEU 88 -2.761 -13.079 2.583 734 3HD2 LEU 88 3HD2 LEU 88 -4.166 -13.522 1.611 735 H ARG 89 H ARG 89 -0.191 -8.910 4.105 736 HA ARG 89 HA ARG 89 1.900 -8.127 2.317 737 1HB ARG 89 2HB ARG 89 2.813 -7.731 4.973 738 2HB ARG 89 3HB ARG 89 2.291 -6.518 3.828 739 1HG ARG 89 2HG ARG 89 0.514 -8.011 5.707 740 2HG ARG 89 3HG ARG 89 1.254 -6.466 6.041 741 1HD ARG 89 2HD ARG 89 -0.741 -6.859 3.737 742 2HD ARG 89 3HD ARG 89 -1.127 -6.240 5.329 743 HE ARG 89 HE ARG 89 -0.113 -4.246 4.928 744 1HH1 ARG 89 1HH2 ARG 89 0.225 -6.309 2.036 745 2HH1 ARG 89 2HH2 ARG 89 0.885 -5.020 1.071 746 1HH2 ARG 89 1HH1 ARG 89 0.403 -2.533 3.554 747 2HH2 ARG 89 2HH1 ARG 89 0.907 -2.853 1.919 748 H PHE 90 H PHE 90 4.272 -8.466 3.220 749 HA PHE 90 HA PHE 90 6.018 -9.896 3.085 750 1HB PHE 90 2HB PHE 90 4.390 -10.605 5.470 751 2HB PHE 90 3HB PHE 90 5.740 -11.654 5.075 752 HD1 PHE 90 1HD PHE 90 4.837 -8.210 6.046 753 HD2 PHE 90 2HD PHE 90 8.015 -11.058 5.482 754 HE1 PHE 90 1HE PHE 90 6.174 -7.036 7.738 755 HE2 PHE 90 2HE PHE 90 9.424 -9.804 7.076 756 HZ PHE 90 HZ PHE 90 8.476 -7.892 8.322 757 H ASN 91 H ASN 91 5.822 -10.878 1.080 758 HA ASN 91 HA ASN 91 5.653 -13.793 1.323 759 1HB ASN 91 2HB ASN 91 3.476 -13.091 0.330 760 2HB ASN 91 3HB ASN 91 4.384 -12.299 -0.979 761 1HD2 ASN 91 2HD2 ASN 91 4.576 -13.574 -2.829 762 2HD2 ASN 91 1HD2 ASN 91 4.608 -15.326 -2.788 763 H GLY 92 H GLY 92 6.925 -14.804 -0.348 764 1HA GLY 92 2HA GLY 92 8.409 -14.571 -2.291 765 2HA GLY 92 3HA GLY 92 9.021 -13.068 -1.615 766 HA PRO 93 HA PRO 93 10.267 -12.243 0.142 767 1HB PRO 93 2HB PRO 93 12.904 -12.047 0.792 768 2HB PRO 93 3HB PRO 93 11.656 -12.515 1.979 769 1HG PRO 93 2HG PRO 93 13.437 -14.373 0.370 770 2HG PRO 93 3HG PRO 93 13.194 -14.365 2.145 771 1HD PRO 93 2HD PRO 93 11.783 -16.039 0.528 772 2HD PRO 93 3HD PRO 93 10.985 -15.248 1.915 773 H VAL 94 H VAL 94 11.854 -10.723 -1.031 774 HA VAL 94 HA VAL 94 12.495 -11.817 -3.724 775 HB VAL 94 HB VAL 94 11.505 -9.102 -2.857 776 1HG1 VAL 94 1HG1 VAL 94 13.194 -8.789 -4.632 777 2HG1 VAL 94 2HG1 VAL 94 12.404 -10.040 -5.614 778 3HG1 VAL 94 3HG1 VAL 94 11.573 -8.509 -5.257 779 1HG2 VAL 94 1HG2 VAL 94 10.284 -11.220 -4.643 780 2HG2 VAL 94 2HG2 VAL 94 9.765 -10.813 -2.990 781 3HG2 VAL 94 3HG2 VAL 94 9.603 -9.620 -4.278 782 HA PRO 95 HA PRO 95 16.586 -10.544 -2.107 783 1HB PRO 95 2HB PRO 95 18.161 -11.722 -4.019 784 2HB PRO 95 3HB PRO 95 17.399 -12.650 -2.693 785 1HG PRO 95 2HG PRO 95 16.396 -12.300 -5.526 786 2HG PRO 95 3HG PRO 95 16.552 -13.823 -4.604 787 1HD PRO 95 2HD PRO 95 14.216 -12.453 -4.831 788 2HD PRO 95 3HD PRO 95 14.613 -13.327 -3.320 789 HA PRO 96 HA PRO 96 16.829 -7.002 -4.740 790 1HB PRO 96 2HB PRO 96 19.448 -6.172 -4.529 791 2HB PRO 96 3HB PRO 96 18.249 -6.023 -3.212 792 1HG PRO 96 2HG PRO 96 20.289 -8.228 -3.608 793 2HG PRO 96 3HG PRO 96 19.961 -7.298 -2.115 794 1HD PRO 96 2HD PRO 96 18.870 -9.752 -2.538 795 2HD PRO 96 3HD PRO 96 17.912 -8.458 -1.754 796 HA PRO 97 HA PRO 97 18.227 -8.976 -8.543 797 1HB PRO 97 2HB PRO 97 17.742 -7.006 -10.376 798 2HB PRO 97 3HB PRO 97 16.434 -7.913 -9.560 799 1HG PRO 97 2HG PRO 97 17.556 -5.203 -8.788 800 2HG PRO 97 3HG PRO 97 15.838 -5.652 -9.005 801 1HD PRO 97 2HD PRO 97 17.016 -5.609 -6.553 802 2HD PRO 97 3HD PRO 97 15.822 -6.880 -6.966 Start of MODEL 5 1 1H MET 1 1H MET 1 -13.734 -4.703 -11.183 2 2H MET 1 2H MET 1 -12.242 -4.193 -10.701 3 3H MET 1 3H MET 1 -13.568 -3.274 -10.368 4 HA MET 1 HA MET 1 -13.980 -2.905 -12.660 5 1HB MET 1 2HB MET 1 -12.549 -1.374 -11.276 6 2HB MET 1 3HB MET 1 -11.117 -2.154 -11.892 7 1HG MET 1 2HG MET 1 -11.408 -0.239 -13.258 8 2HG MET 1 3HG MET 1 -12.011 -1.552 -14.261 9 1HE MET 1 1HE MET 1 -13.833 0.434 -11.241 10 2HE MET 1 2HE MET 1 -12.836 1.602 -12.145 11 3HE MET 1 3HE MET 1 -14.609 1.688 -12.223 12 H GLY 2 H GLY 2 -10.541 -3.380 -13.210 13 1HA GLY 2 2HA GLY 2 -10.191 -5.908 -14.173 14 2HA GLY 2 3HA GLY 2 -10.915 -4.992 -15.530 15 H GLU 3 H GLU 3 -8.293 -5.780 -15.885 16 HA GLU 3 HA GLU 3 -6.239 -5.101 -16.363 17 1HB GLU 3 2HB GLU 3 -7.457 -2.313 -16.186 18 2HB GLU 3 3HB GLU 3 -5.913 -2.706 -16.935 19 1HG GLU 3 2HG GLU 3 -6.906 -3.996 -18.668 20 2HG GLU 3 3HG GLU 3 -8.491 -4.012 -17.882 21 H TRP 4 H TRP 4 -4.574 -3.174 -15.533 22 HA TRP 4 HA TRP 4 -4.515 -3.378 -12.568 23 1HB TRP 4 2HB TRP 4 -2.122 -3.121 -14.421 24 2HB TRP 4 3HB TRP 4 -2.093 -3.084 -12.687 25 HD1 TRP 4 HD TRP 4 -3.384 -5.720 -15.248 26 HE1 TRP 4 1HE TRP 4 -2.623 -8.020 -14.468 27 HE3 TRP 4 3HE TRP 4 -0.920 -4.324 -11.021 28 HZ2 TRP 4 2HZ TRP 4 -1.098 -9.141 -12.256 29 HZ3 TRP 4 3HZ TRP 4 0.217 -6.018 -9.595 30 HH2 TRP 4 HH TRP 4 0.137 -8.429 -10.210 31 H GLU 5 H GLU 5 -3.721 -1.506 -11.501 32 HA GLU 5 HA GLU 5 -3.722 1.053 -13.009 33 1HB GLU 5 2HB GLU 5 -5.411 0.357 -10.571 34 2HB GLU 5 3HB GLU 5 -4.992 1.988 -11.009 35 1HG GLU 5 2HG GLU 5 -7.187 1.596 -11.851 36 2HG GLU 5 3HG GLU 5 -6.086 1.731 -13.225 37 H ILE 6 H ILE 6 -2.916 2.782 -11.624 38 HA ILE 6 HA ILE 6 -0.437 1.964 -10.359 39 HB ILE 6 HB ILE 6 0.149 4.310 -10.377 40 1HG1 ILE 6 2HG1 ILE 6 -1.545 5.839 -11.730 41 2HG1 ILE 6 3HG1 ILE 6 -2.774 4.797 -11.017 42 1HG2 ILE 6 1HG2 ILE 6 0.411 2.935 -12.422 43 2HG2 ILE 6 2HG2 ILE 6 -1.147 3.549 -13.020 44 3HG2 ILE 6 3HG2 ILE 6 0.209 4.660 -12.759 45 1HD1 ILE 6 1HD1 ILE 6 -1.948 5.455 -8.742 46 2HD1 ILE 6 2HD1 ILE 6 -0.648 6.396 -9.504 47 3HD1 ILE 6 3HD1 ILE 6 -2.340 6.870 -9.721 48 H ILE 7 H ILE 7 0.224 2.582 -8.300 49 HA ILE 7 HA ILE 7 -1.788 3.411 -6.268 50 HB ILE 7 HB ILE 7 -1.610 1.135 -5.938 51 1HG1 ILE 7 2HG1 ILE 7 0.746 2.178 -4.285 52 2HG1 ILE 7 3HG1 ILE 7 -0.960 2.308 -3.841 53 1HG2 ILE 7 1HG2 ILE 7 -0.075 0.525 -7.620 54 2HG2 ILE 7 2HG2 ILE 7 1.266 1.220 -6.665 55 3HG2 ILE 7 3HG2 ILE 7 0.406 -0.254 -6.142 56 1HD1 ILE 7 1HD1 ILE 7 -0.969 -0.261 -3.925 57 2HD1 ILE 7 2HD1 ILE 7 0.810 -0.146 -4.045 58 3HD1 ILE 7 3HD1 ILE 7 -0.006 0.507 -2.634 59 H ASP 8 H ASP 8 -1.094 5.527 -6.061 60 HA ASP 8 HA ASP 8 1.491 5.944 -4.755 61 1HB ASP 8 2HB ASP 8 0.829 7.317 -7.413 62 2HB ASP 8 3HB ASP 8 2.151 7.785 -6.343 63 H ILE 9 H ILE 9 -1.040 6.127 -3.667 64 HA ILE 9 HA ILE 9 -1.514 9.052 -3.391 65 HB ILE 9 HB ILE 9 -3.628 6.956 -3.922 66 1HG1 ILE 9 2HG1 ILE 9 -2.354 7.425 -6.029 67 2HG1 ILE 9 3HG1 ILE 9 -4.048 7.853 -6.085 68 1HG2 ILE 9 1HG2 ILE 9 -4.655 8.558 -2.628 69 2HG2 ILE 9 2HG2 ILE 9 -3.854 9.914 -3.473 70 3HG2 ILE 9 3HG2 ILE 9 -5.120 8.949 -4.278 71 1HD1 ILE 9 1HD1 ILE 9 -3.577 10.217 -5.848 72 2HD1 ILE 9 2HD1 ILE 9 -1.858 9.905 -5.547 73 3HD1 ILE 9 3HD1 ILE 9 -2.559 9.552 -7.134 74 H GLY 10 H GLY 10 -2.773 9.602 -1.634 75 1HA GLY 10 2HA GLY 10 -1.944 8.898 0.867 76 2HA GLY 10 3HA GLY 10 -3.445 9.717 0.546 77 HA PRO 11 HA PRO 11 -5.607 6.115 2.028 78 1HB PRO 11 2HB PRO 11 -8.051 6.273 0.834 79 2HB PRO 11 3HB PRO 11 -7.466 7.455 2.027 80 1HG PRO 11 2HG PRO 11 -7.283 7.689 -0.994 81 2HG PRO 11 3HG PRO 11 -8.010 8.865 0.145 82 1HD PRO 11 2HD PRO 11 -5.460 9.188 -0.669 83 2HD PRO 11 3HD PRO 11 -5.870 9.429 1.047 84 H PHE 12 H PHE 12 -3.654 5.323 0.177 85 HA PHE 12 HA PHE 12 -4.833 3.057 -1.163 86 1HB PHE 12 2HB PHE 12 -5.008 5.329 -2.553 87 2HB PHE 12 3HB PHE 12 -3.354 4.994 -2.947 88 HD1 PHE 12 1HD PHE 12 -6.528 4.851 -4.173 89 HD2 PHE 12 2HD PHE 12 -3.194 2.171 -3.602 90 HE1 PHE 12 1HE PHE 12 -7.090 3.701 -6.285 91 HE2 PHE 12 2HE PHE 12 -3.755 1.052 -5.739 92 HZ PHE 12 HZ PHE 12 -5.640 1.878 -7.131 93 H THR 13 H THR 13 -1.779 4.886 -1.862 94 HA THR 13 HA THR 13 -0.253 2.478 -1.268 95 HB THR 13 HB THR 13 0.303 4.214 -3.124 96 HG1 THR 13 1HG THR 13 2.282 3.182 -1.383 97 1HG2 THR 13 1HG2 THR 13 0.541 6.260 -1.716 98 2HG2 THR 13 2HG2 THR 13 1.870 5.481 -0.832 99 3HG2 THR 13 3HG2 THR 13 2.038 5.826 -2.546 100 H GLN 14 H GLN 14 -0.754 5.799 0.212 101 HA GLN 14 HA GLN 14 1.060 5.167 2.347 102 1HB GLN 14 2HB GLN 14 -0.782 7.353 1.665 103 2HB GLN 14 3HB GLN 14 -0.762 6.996 3.373 104 1HG GLN 14 2HG GLN 14 0.877 8.619 3.151 105 2HG GLN 14 3HG GLN 14 1.830 7.133 3.200 106 1HE2 GLN 14 2HE2 GLN 14 3.306 9.008 2.211 107 2HE2 GLN 14 1HE2 GLN 14 3.272 9.115 0.460 108 H ASN 15 H ASN 15 -2.498 4.900 2.021 109 HA ASN 15 HA ASN 15 -3.136 3.929 4.546 110 1HB ASN 15 2HB ASN 15 -4.750 4.304 2.687 111 2HB ASN 15 3HB ASN 15 -4.240 2.807 1.923 112 1HD2 ASN 15 2HD2 ASN 15 -5.914 4.225 4.730 113 2HD2 ASN 15 1HD2 ASN 15 -6.655 2.721 5.243 114 H LEU 16 H LEU 16 -2.257 1.898 1.737 115 HA LEU 16 HA LEU 16 -2.057 -0.552 3.222 116 1HB LEU 16 2HB LEU 16 -0.773 0.322 0.621 117 2HB LEU 16 3HB LEU 16 -0.745 -1.334 1.238 118 HG LEU 16 HG LEU 16 -3.365 0.153 0.677 119 1HD1 LEU 16 1HD1 LEU 16 -1.903 -0.118 -1.349 120 2HD1 LEU 16 2HD1 LEU 16 -1.962 -1.874 -1.063 121 3HD1 LEU 16 3HD1 LEU 16 -3.457 -0.946 -1.386 122 1HD2 LEU 16 1HD2 LEU 16 -2.720 -2.759 1.166 123 2HD2 LEU 16 2HD2 LEU 16 -3.670 -1.702 2.236 124 3HD2 LEU 16 3HD2 LEU 16 -4.296 -2.133 0.644 125 H ALA 17 H ALA 17 0.482 1.873 2.386 126 HA ALA 17 HA ALA 17 2.672 0.412 3.426 127 1HB ALA 17 1HB ALA 17 2.872 2.429 2.038 128 2HB ALA 17 2HB ALA 17 2.194 3.415 3.353 129 3HB ALA 17 3HB ALA 17 3.764 2.612 3.565 130 H LYS 18 H LYS 18 0.422 2.725 5.058 131 HA LYS 18 HA LYS 18 1.566 2.475 7.645 132 1HB LYS 18 2HB LYS 18 -0.968 3.508 6.501 133 2HB LYS 18 3HB LYS 18 -1.198 2.770 8.076 134 1HG LYS 18 2HG LYS 18 0.783 4.991 7.473 135 2HG LYS 18 3HG LYS 18 -0.802 5.150 8.249 136 1HD LYS 18 2HD LYS 18 0.081 3.444 10.022 137 2HD LYS 18 3HD LYS 18 1.687 3.785 9.375 138 1HE LYS 18 2HE LYS 18 0.907 6.335 9.681 139 2HE LYS 18 3HE LYS 18 -0.227 5.607 10.837 140 1HZ LYS 18 1HZ LYS 18 1.717 4.605 11.901 141 2HZ LYS 18 2HZ LYS 18 2.700 5.422 10.856 142 3HZ LYS 18 3HZ LYS 18 1.756 6.253 11.916 143 H PHE 19 H PHE 19 -1.227 0.783 6.176 144 HA PHE 19 HA PHE 19 -1.906 -0.975 8.141 145 1HB PHE 19 2HB PHE 19 -2.938 -0.699 5.860 146 2HB PHE 19 3HB PHE 19 -1.666 -1.709 5.206 147 HD1 PHE 19 1HD PHE 19 -2.337 -3.856 4.648 148 HD2 PHE 19 2HD PHE 19 -4.273 -1.840 7.929 149 HE1 PHE 19 1HE PHE 19 -3.812 -5.810 4.972 150 HE2 PHE 19 2HE PHE 19 -5.825 -3.760 8.171 151 HZ PHE 19 HZ PHE 19 -5.560 -5.770 6.728 152 H ALA 20 H ALA 20 0.686 -1.514 5.699 153 HA ALA 20 HA ALA 20 1.652 -3.969 6.448 154 1HB ALA 20 1HB ALA 20 2.555 -2.336 4.610 155 2HB ALA 20 2HB ALA 20 3.623 -1.736 5.876 156 3HB ALA 20 3HB ALA 20 3.694 -3.439 5.415 157 H VAL 21 H VAL 21 2.491 -0.861 8.006 158 HA VAL 21 HA VAL 21 4.268 -2.266 9.919 159 HB VAL 21 HB VAL 21 3.688 0.693 9.472 160 1HG1 VAL 21 1HG1 VAL 21 4.285 0.303 11.843 161 2HG1 VAL 21 2HG1 VAL 21 5.640 -0.736 11.353 162 3HG1 VAL 21 3HG1 VAL 21 5.673 0.998 10.998 163 1HG2 VAL 21 1HG2 VAL 21 6.136 -1.019 8.891 164 2HG2 VAL 21 2HG2 VAL 21 5.005 -0.399 7.660 165 3HG2 VAL 21 3HG2 VAL 21 6.004 0.713 8.598 166 H ASP 22 H ASP 22 1.610 0.108 10.093 167 HA ASP 22 HA ASP 22 1.114 -0.011 12.823 168 1HB ASP 22 2HB ASP 22 0.075 1.709 11.471 169 2HB ASP 22 3HB ASP 22 -0.737 0.513 10.441 170 H GLU 23 H GLU 23 -0.482 -1.970 10.224 171 HA GLU 23 HA GLU 23 -2.261 -3.172 12.094 172 1HB GLU 23 2HB GLU 23 -2.427 -3.103 9.466 173 2HB GLU 23 3HB GLU 23 -1.345 -4.512 9.521 174 1HG GLU 23 2HG GLU 23 -3.053 -5.355 11.334 175 2HG GLU 23 3HG GLU 23 -4.117 -4.132 10.607 176 H GLU 24 H GLU 24 0.797 -4.258 10.562 177 HA GLU 24 HA GLU 24 0.881 -6.743 11.890 178 1HB GLU 24 2HB GLU 24 2.304 -6.049 9.916 179 2HB GLU 24 3HB GLU 24 3.278 -5.065 11.014 180 1HG GLU 24 2HG GLU 24 4.316 -7.271 10.591 181 2HG GLU 24 3HG GLU 24 3.853 -7.150 12.297 182 H ASN 25 H ASN 25 1.870 -3.513 12.939 183 HA ASN 25 HA ASN 25 3.173 -4.280 15.347 184 1HB ASN 25 2HB ASN 25 2.874 -1.906 14.051 185 2HB ASN 25 3HB ASN 25 1.636 -1.687 15.272 186 1HD2 ASN 25 2HD2 ASN 25 5.082 -2.418 14.715 187 2HD2 ASN 25 1HD2 ASN 25 5.629 -1.833 16.278 188 H LYS 26 H LYS 26 -0.219 -3.187 14.743 189 HA LYS 26 HA LYS 26 -0.868 -3.501 17.538 190 1HB LYS 26 2HB LYS 26 -3.032 -2.699 17.000 191 2HB LYS 26 3HB LYS 26 -1.811 -1.762 16.158 192 1HG LYS 26 2HG LYS 26 -2.941 -1.999 14.288 193 2HG LYS 26 3HG LYS 26 -2.457 -3.682 14.270 194 1HD LYS 26 2HD LYS 26 -4.550 -4.408 14.576 195 2HD LYS 26 3HD LYS 26 -4.812 -3.404 15.991 196 1HE LYS 26 2HE LYS 26 -5.049 -2.437 13.100 197 2HE LYS 26 3HE LYS 26 -6.403 -2.946 14.121 198 1HZ LYS 26 1HZ LYS 26 -5.868 -1.200 15.641 199 2HZ LYS 26 2HZ LYS 26 -4.600 -0.708 14.713 200 3HZ LYS 26 3HZ LYS 26 -6.137 -0.587 14.135 201 H ILE 27 H ILE 27 -1.112 -5.646 14.776 202 HA ILE 27 HA ILE 27 -2.743 -7.610 16.275 203 HB ILE 27 HB ILE 27 -1.495 -7.667 13.505 204 1HG1 ILE 27 2HG1 ILE 27 -3.291 -6.030 13.600 205 2HG1 ILE 27 3HG1 ILE 27 -3.779 -7.435 12.661 206 1HG2 ILE 27 1HG2 ILE 27 -1.670 -9.909 14.269 207 2HG2 ILE 27 2HG2 ILE 27 -3.312 -9.669 14.888 208 3HG2 ILE 27 3HG2 ILE 27 -2.997 -9.635 13.136 209 1HD1 ILE 27 1HD1 ILE 27 -5.093 -8.265 14.637 210 2HD1 ILE 27 2HD1 ILE 27 -4.658 -6.775 15.509 211 3HD1 ILE 27 3HD1 ILE 27 -5.627 -6.692 14.035 212 H GLY 28 H GLY 28 0.646 -7.349 15.010 213 1HA GLY 28 2HA GLY 28 2.515 -8.540 15.529 214 2HA GLY 28 3HA GLY 28 1.777 -8.857 17.104 215 H GLN 29 H GLN 29 1.098 -9.871 13.701 216 HA GLN 29 HA GLN 29 0.694 -12.669 14.638 217 1HB GLN 29 2HB GLN 29 -0.575 -11.079 12.608 218 2HB GLN 29 3HB GLN 29 0.362 -12.314 11.784 219 1HG GLN 29 2HG GLN 29 -1.689 -13.328 12.092 220 2HG GLN 29 3HG GLN 29 -0.727 -14.029 13.392 221 1HE2 GLN 29 2HE2 GLN 29 -0.951 -12.470 15.599 222 2HE2 GLN 29 1HE2 GLN 29 -2.612 -12.043 15.908 223 H TYR 30 H TYR 30 2.587 -10.888 12.224 224 HA TYR 30 HA TYR 30 4.389 -13.240 11.865 225 1HB TYR 30 2HB TYR 30 3.799 -12.616 9.769 226 2HB TYR 30 3HB TYR 30 3.495 -10.952 10.197 227 HD1 TYR 30 1HD TYR 30 4.805 -9.392 9.088 228 HD2 TYR 30 2HD TYR 30 6.533 -13.202 10.160 229 HE1 TYR 30 1HE TYR 30 6.932 -8.722 8.039 230 HE2 TYR 30 2HE TYR 30 8.686 -12.498 9.145 231 HH TYR 30 HH TYR 30 9.066 -9.368 7.472 232 H GLY 31 H GLY 31 5.111 -9.749 11.692 233 1HA GLY 31 2HA GLY 31 6.378 -8.975 13.906 234 2HA GLY 31 3HA GLY 31 7.512 -10.229 13.384 235 H ARG 32 H ARG 32 6.304 -7.080 12.779 236 HA ARG 32 HA ARG 32 7.368 -6.732 10.147 237 1HB ARG 32 2HB ARG 32 5.515 -5.342 11.218 238 2HB ARG 32 3HB ARG 32 6.760 -4.579 12.205 239 1HG ARG 32 2HG ARG 32 6.276 -3.151 10.403 240 2HG ARG 32 3HG ARG 32 7.878 -3.783 10.100 241 1HD ARG 32 2HD ARG 32 6.944 -5.356 8.392 242 2HD ARG 32 3HD ARG 32 5.315 -4.866 8.839 243 HE ARG 32 HE ARG 32 5.456 -3.093 7.441 244 1HH1 ARG 32 1HH2 ARG 32 8.758 -4.128 8.095 245 2HH1 ARG 32 2HH2 ARG 32 9.481 -2.903 7.084 246 1HH2 ARG 32 1HH1 ARG 32 6.396 -1.387 6.285 247 2HH2 ARG 32 2HH1 ARG 32 8.121 -1.308 6.067 248 H LEU 33 H LEU 33 9.180 -5.524 9.562 249 HA LEU 33 HA LEU 33 11.512 -5.513 11.350 250 1HB LEU 33 2HB LEU 33 11.256 -4.427 8.533 251 2HB LEU 33 3HB LEU 33 12.724 -4.887 9.388 252 HG LEU 33 HG LEU 33 12.325 -6.526 7.768 253 1HD1 LEU 33 1HD1 LEU 33 13.084 -7.319 10.034 254 2HD1 LEU 33 2HD1 LEU 33 11.411 -7.783 10.387 255 3HD1 LEU 33 3HD1 LEU 33 12.282 -8.569 9.058 256 1HD2 LEU 33 1HD2 LEU 33 9.653 -7.458 8.768 257 2HD2 LEU 33 2HD2 LEU 33 9.771 -6.167 7.552 258 3HD2 LEU 33 3HD2 LEU 33 10.487 -7.754 7.245 259 H THR 34 H THR 34 12.487 -2.951 9.991 260 HA THR 34 HA THR 34 11.033 -1.055 11.813 261 HB THR 34 HB THR 34 13.402 -1.456 12.303 262 HG1 THR 34 1HG THR 34 13.453 1.127 11.339 263 1HG2 THR 34 1HG2 THR 34 14.328 -1.929 10.079 264 2HG2 THR 34 2HG2 THR 34 13.996 -0.264 9.559 265 3HG2 THR 34 3HG2 THR 34 15.169 -0.583 10.851 266 H PHE 35 H PHE 35 11.065 1.321 10.853 267 HA PHE 35 HA PHE 35 10.074 1.484 8.210 268 1HB PHE 35 2HB PHE 35 11.299 3.525 10.086 269 2HB PHE 35 3HB PHE 35 10.659 3.950 8.507 270 HD1 PHE 35 1HD PHE 35 8.254 2.892 7.963 271 HD2 PHE 35 2HD PHE 35 9.734 3.947 11.881 272 HE1 PHE 35 1HE PHE 35 5.968 2.996 8.807 273 HE2 PHE 35 2HE PHE 35 7.400 4.208 12.678 274 HZ PHE 35 HZ PHE 35 5.499 3.750 11.140 275 H ASN 36 H ASN 36 11.658 0.127 7.095 276 HA ASN 36 HA ASN 36 14.188 1.395 6.359 277 1HB ASN 36 2HB ASN 36 13.590 -0.819 4.634 278 2HB ASN 36 3HB ASN 36 14.809 -0.621 5.853 279 1HD2 ASN 36 2HD2 ASN 36 11.268 -1.451 5.607 280 2HD2 ASN 36 1HD2 ASN 36 11.269 -2.115 7.249 281 H LYS 37 H LYS 37 12.048 0.071 3.736 282 HA LYS 37 HA LYS 37 11.016 2.654 3.070 283 1HB LYS 37 2HB LYS 37 13.690 2.162 2.150 284 2HB LYS 37 3HB LYS 37 12.652 1.950 0.747 285 1HG LYS 37 2HG LYS 37 11.622 4.204 1.228 286 2HG LYS 37 3HG LYS 37 12.740 4.372 2.597 287 1HD LYS 37 2HD LYS 37 14.674 4.211 1.040 288 2HD LYS 37 3HD LYS 37 13.565 3.970 -0.319 289 1HE LYS 37 2HE LYS 37 14.313 6.275 -0.315 290 2HE LYS 37 3HE LYS 37 12.587 6.234 0.074 291 1HZ LYS 37 1HZ LYS 37 13.176 6.497 2.380 292 2HZ LYS 37 2HZ LYS 37 14.783 6.503 2.013 293 3HZ LYS 37 3HZ LYS 37 13.811 7.721 1.482 294 H VAL 38 H VAL 38 10.231 2.453 0.570 295 HA VAL 38 HA VAL 38 9.287 -0.260 -0.038 296 HB VAL 38 HB VAL 38 7.590 0.863 1.309 297 1HG1 VAL 38 1HG1 VAL 38 8.045 3.240 0.793 298 2HG1 VAL 38 2HG1 VAL 38 7.414 3.006 -0.853 299 3HG1 VAL 38 3HG1 VAL 38 6.344 2.827 0.544 300 1HG2 VAL 38 1HG2 VAL 38 6.624 0.736 -1.575 301 2HG2 VAL 38 2HG2 VAL 38 6.875 -0.685 -0.550 302 3HG2 VAL 38 3HG2 VAL 38 5.658 0.520 -0.112 303 H ILE 39 H ILE 39 9.293 -0.662 -2.264 304 HA ILE 39 HA ILE 39 10.631 1.383 -3.901 305 HB ILE 39 HB ILE 39 10.610 -0.188 -5.681 306 1HG1 ILE 39 2HG1 ILE 39 9.612 -2.577 -4.970 307 2HG1 ILE 39 3HG1 ILE 39 8.434 -1.548 -4.133 308 1HG2 ILE 39 1HG2 ILE 39 12.256 -0.488 -3.848 309 2HG2 ILE 39 2HG2 ILE 39 11.190 -1.700 -3.102 310 3HG2 ILE 39 3HG2 ILE 39 11.887 -1.993 -4.705 311 1HD1 ILE 39 1HD1 ILE 39 7.970 -0.419 -6.349 312 2HD1 ILE 39 2HD1 ILE 39 9.137 -1.527 -7.101 313 3HD1 ILE 39 3HD1 ILE 39 7.650 -2.157 -6.370 314 H ARG 40 H ARG 40 9.569 2.148 -6.014 315 HA ARG 40 HA ARG 40 6.729 2.220 -6.089 316 1HB ARG 40 2HB ARG 40 6.497 4.659 -5.571 317 2HB ARG 40 3HB ARG 40 6.997 3.691 -4.191 318 1HG ARG 40 2HG ARG 40 9.467 4.415 -4.987 319 2HG ARG 40 3HG ARG 40 8.572 5.723 -5.769 320 1HD ARG 40 2HD ARG 40 8.587 4.927 -2.829 321 2HD ARG 40 3HD ARG 40 9.295 6.397 -3.535 322 HE ARG 40 HE ARG 40 6.564 6.410 -4.213 323 1HH1 ARG 40 1HH2 ARG 40 8.532 6.556 -1.295 324 2HH1 ARG 40 2HH2 ARG 40 7.330 7.385 -0.342 325 1HH2 ARG 40 1HH1 ARG 40 4.962 7.456 -2.992 326 2HH2 ARG 40 2HH1 ARG 40 5.249 7.901 -1.332 327 HA PRO 41 HA PRO 41 5.232 3.809 -7.309 328 1HB PRO 41 2HB PRO 41 3.974 3.519 -9.695 329 2HB PRO 41 3HB PRO 41 4.802 5.041 -9.249 330 1HG PRO 41 2HG PRO 41 5.919 2.775 -10.927 331 2HG PRO 41 3HG PRO 41 5.880 4.517 -11.336 332 1HD PRO 41 2HD PRO 41 8.083 3.343 -10.219 333 2HD PRO 41 3HD PRO 41 7.602 5.000 -9.760 334 H CYS 42 H CYS 42 3.543 2.174 -7.158 335 HA CYS 42 HA CYS 42 4.550 -0.628 -7.676 336 1HB CYS 42 2HB CYS 42 3.034 0.635 -5.396 337 2HB CYS 42 3HB CYS 42 2.835 -1.095 -5.736 338 HG CYS 42 HG CYS 42 4.651 -0.431 -3.805 339 H MET 43 H MET 43 2.177 -2.056 -7.531 340 HA MET 43 HA MET 43 0.366 -0.729 -9.447 341 1HB MET 43 2HB MET 43 2.510 -2.274 -10.344 342 2HB MET 43 3HB MET 43 1.211 -3.460 -10.300 343 1HG MET 43 2HG MET 43 -0.085 -2.136 -11.870 344 2HG MET 43 3HG MET 43 0.932 -0.716 -11.606 345 1HE MET 43 1HE MET 43 2.390 -4.355 -12.183 346 2HE MET 43 2HE MET 43 0.928 -4.342 -13.208 347 3HE MET 43 3HE MET 43 2.543 -4.345 -13.952 348 H LYS 44 H LYS 44 -1.719 -1.633 -9.584 349 HA LYS 44 HA LYS 44 -2.346 -3.813 -7.649 350 1HB LYS 44 2HB LYS 44 -3.832 -2.540 -6.472 351 2HB LYS 44 3HB LYS 44 -2.666 -1.286 -6.874 352 1HG LYS 44 2HG LYS 44 -4.564 -0.166 -7.484 353 2HG LYS 44 3HG LYS 44 -4.341 -1.021 -8.991 354 1HD LYS 44 2HD LYS 44 -5.773 -2.910 -7.576 355 2HD LYS 44 3HD LYS 44 -6.301 -1.503 -6.702 356 1HE LYS 44 2HE LYS 44 -6.411 -1.589 -9.740 357 2HE LYS 44 3HE LYS 44 -7.638 -2.397 -8.791 358 1HZ LYS 44 1HZ LYS 44 -8.158 -0.371 -7.706 359 2HZ LYS 44 2HZ LYS 44 -7.008 0.451 -8.559 360 3HZ LYS 44 3HZ LYS 44 -8.309 -0.203 -9.337 361 H LYS 45 H LYS 45 -4.570 -4.722 -8.054 362 HA LYS 45 HA LYS 45 -5.831 -4.092 -10.571 363 1HB LYS 45 2HB LYS 45 -5.620 -6.154 -11.704 364 2HB LYS 45 3HB LYS 45 -3.993 -5.673 -11.277 365 1HG LYS 45 2HG LYS 45 -5.673 -7.817 -9.856 366 2HG LYS 45 3HG LYS 45 -4.406 -8.076 -11.040 367 1HD LYS 45 2HD LYS 45 -2.810 -6.866 -9.452 368 2HD LYS 45 3HD LYS 45 -4.102 -6.933 -8.243 369 1HE LYS 45 2HE LYS 45 -4.178 -9.423 -8.464 370 2HE LYS 45 3HE LYS 45 -2.902 -9.354 -9.694 371 1HZ LYS 45 1HZ LYS 45 -1.436 -8.448 -8.050 372 2HZ LYS 45 2HZ LYS 45 -2.613 -8.529 -6.896 373 3HZ LYS 45 3HZ LYS 45 -2.035 -9.909 -7.570 374 H THR 46 H THR 46 -7.563 -6.137 -10.861 375 HA THR 46 HA THR 46 -8.662 -6.771 -8.178 376 HB THR 46 HB THR 46 -10.093 -5.210 -9.494 377 HG1 THR 46 1HG THR 46 -11.063 -7.822 -8.960 378 1HG2 THR 46 1HG2 THR 46 -9.598 -5.914 -11.773 379 2HG2 THR 46 2HG2 THR 46 -10.335 -7.503 -11.482 380 3HG2 THR 46 3HG2 THR 46 -11.334 -6.050 -11.443 381 H ILE 47 H ILE 47 -8.966 -8.934 -7.759 382 HA ILE 47 HA ILE 47 -8.208 -10.770 -9.952 383 HB ILE 47 HB ILE 47 -7.081 -11.209 -7.908 384 1HG1 ILE 47 2HG1 ILE 47 -9.329 -13.287 -8.292 385 2HG1 ILE 47 3HG1 ILE 47 -7.985 -13.096 -9.411 386 1HG2 ILE 47 1HG2 ILE 47 -8.584 -10.218 -6.310 387 2HG2 ILE 47 2HG2 ILE 47 -9.829 -11.443 -6.659 388 3HG2 ILE 47 3HG2 ILE 47 -8.312 -11.907 -5.875 389 1HD1 ILE 47 1HD1 ILE 47 -6.400 -13.553 -7.459 390 2HD1 ILE 47 2HD1 ILE 47 -7.827 -13.957 -6.478 391 3HD1 ILE 47 3HD1 ILE 47 -7.451 -14.911 -7.915 392 H TYR 48 H TYR 48 -9.706 -11.654 -11.106 393 HA TYR 48 HA TYR 48 -12.317 -12.425 -10.011 394 1HB TYR 48 2HB TYR 48 -11.577 -12.884 -12.840 395 2HB TYR 48 3HB TYR 48 -13.117 -12.328 -12.148 396 HD1 TYR 48 1HD TYR 48 -12.906 -9.907 -11.087 397 HD2 TYR 48 2HD TYR 48 -10.299 -11.379 -14.135 398 HE1 TYR 48 1HE TYR 48 -13.210 -7.760 -12.355 399 HE2 TYR 48 2HE TYR 48 -10.474 -9.221 -15.344 400 HH TYR 48 HH TYR 48 -12.764 -6.669 -14.400 401 H GLU 49 H GLU 49 -12.986 -14.621 -10.218 402 HA GLU 49 HA GLU 49 -12.909 -16.774 -10.050 403 1HB GLU 49 2HB GLU 49 -12.397 -16.452 -12.490 404 2HB GLU 49 3HB GLU 49 -10.700 -16.784 -12.122 405 1HG GLU 49 2HG GLU 49 -12.565 -18.797 -10.956 406 2HG GLU 49 3HG GLU 49 -12.747 -18.643 -12.705 407 H ASN 50 H ASN 50 -11.997 -16.058 -7.908 408 HA ASN 50 HA ASN 50 -9.287 -16.927 -7.205 409 1HB ASN 50 2HB ASN 50 -10.099 -16.485 -4.901 410 2HB ASN 50 3HB ASN 50 -10.482 -15.155 -5.993 411 1HD2 ASN 50 2HD2 ASN 50 -11.885 -18.006 -4.368 412 2HD2 ASN 50 1HD2 ASN 50 -13.540 -17.405 -4.368 413 H GLU 51 H GLU 51 -10.501 -19.019 -8.638 414 HA GLU 51 HA GLU 51 -11.282 -21.133 -8.617 415 1HB GLU 51 2HB GLU 51 -9.921 -21.205 -5.882 416 2HB GLU 51 3HB GLU 51 -10.536 -22.612 -6.752 417 1HG GLU 51 2HG GLU 51 -9.034 -21.827 -8.722 418 2HG GLU 51 3HG GLU 51 -8.226 -20.822 -7.506 419 H GLY 52 H GLY 52 -12.629 -22.819 -7.178 420 1HA GLY 52 2HA GLY 52 -14.437 -23.321 -5.871 421 2HA GLY 52 3HA GLY 52 -14.501 -21.650 -5.300 422 H PHE 53 H PHE 53 -14.743 -20.232 -7.621 423 HA PHE 53 HA PHE 53 -16.655 -21.312 -9.461 424 1HB PHE 53 2HB PHE 53 -17.937 -20.533 -7.203 425 2HB PHE 53 3HB PHE 53 -17.807 -18.959 -7.959 426 HD1 PHE 53 1HD PHE 53 -19.153 -22.397 -8.206 427 HD2 PHE 53 2HD PHE 53 -19.177 -18.467 -9.996 428 HE1 PHE 53 1HE PHE 53 -21.128 -23.024 -9.569 429 HE2 PHE 53 2HE PHE 53 -21.081 -19.141 -11.432 430 HZ PHE 53 HZ PHE 53 -22.080 -21.405 -11.200 431 H ARG 54 H ARG 54 -17.211 -19.635 -11.100 432 HA ARG 54 HA ARG 54 -14.858 -18.015 -11.679 433 1HB ARG 54 2HB ARG 54 -15.828 -17.725 -13.848 434 2HB ARG 54 3HB ARG 54 -15.954 -19.409 -13.346 435 1HG ARG 54 2HG ARG 54 -18.425 -18.416 -12.531 436 2HG ARG 54 3HG ARG 54 -18.066 -17.413 -13.942 437 1HD ARG 54 2HD ARG 54 -17.538 -19.629 -15.172 438 2HD ARG 54 3HD ARG 54 -18.296 -20.436 -13.773 439 HE ARG 54 HE ARG 54 -19.962 -18.336 -14.842 440 1HH1 ARG 54 1HH2 ARG 54 -18.955 -21.669 -15.430 441 2HH1 ARG 54 2HH2 ARG 54 -20.279 -22.034 -16.503 442 1HH2 ARG 54 1HH1 ARG 54 -21.673 -18.779 -16.280 443 2HH2 ARG 54 2HH1 ARG 54 -21.853 -20.359 -16.992 444 H GLU 55 H GLU 55 -15.499 -16.878 -9.484 445 HA GLU 55 HA GLU 55 -17.145 -14.458 -10.080 446 1HB GLU 55 2HB GLU 55 -18.190 -16.255 -8.650 447 2HB GLU 55 3HB GLU 55 -16.972 -15.922 -7.412 448 1HG GLU 55 2HG GLU 55 -17.859 -13.726 -7.011 449 2HG GLU 55 3HG GLU 55 -18.755 -13.719 -8.547 450 H ILE 56 H ILE 56 -16.678 -12.705 -8.385 451 HA ILE 56 HA ILE 56 -13.773 -12.187 -8.533 452 HB ILE 56 HB ILE 56 -16.216 -10.379 -8.216 453 1HG1 ILE 56 2HG1 ILE 56 -15.140 -9.639 -10.585 454 2HG1 ILE 56 3HG1 ILE 56 -14.668 -11.345 -10.600 455 1HG2 ILE 56 1HG2 ILE 56 -14.249 -9.345 -7.161 456 2HG2 ILE 56 2HG2 ILE 56 -13.321 -9.576 -8.659 457 3HG2 ILE 56 3HG2 ILE 56 -14.722 -8.493 -8.628 458 1HD1 ILE 56 1HD1 ILE 56 -17.078 -11.966 -10.382 459 2HD1 ILE 56 2HD1 ILE 56 -17.495 -10.241 -10.273 460 3HD1 ILE 56 3HD1 ILE 56 -16.797 -10.902 -11.763 461 H LYS 57 H LYS 57 -12.551 -12.177 -6.728 462 HA LYS 57 HA LYS 57 -13.826 -12.407 -4.111 463 1HB LYS 57 2HB LYS 57 -11.847 -13.726 -4.724 464 2HB LYS 57 3HB LYS 57 -10.869 -12.266 -4.823 465 1HG LYS 57 2HG LYS 57 -10.628 -12.148 -2.567 466 2HG LYS 57 3HG LYS 57 -12.347 -12.453 -2.276 467 1HD LYS 57 2HD LYS 57 -12.049 -14.853 -2.625 468 2HD LYS 57 3HD LYS 57 -10.314 -14.629 -2.935 469 1HE LYS 57 2HE LYS 57 -9.859 -14.030 -0.693 470 2HE LYS 57 3HE LYS 57 -11.546 -13.602 -0.354 471 1HZ LYS 57 1HZ LYS 57 -12.134 -15.875 -0.472 472 2HZ LYS 57 2HZ LYS 57 -10.589 -16.330 -0.823 473 3HZ LYS 57 3HZ LYS 57 -10.942 -15.664 0.644 474 H GLY 58 H GLY 58 -11.799 -10.036 -5.911 475 1HA GLY 58 2HA GLY 58 -12.953 -7.733 -5.343 476 2HA GLY 58 3HA GLY 58 -12.153 -8.015 -3.786 477 H TYR 59 H TYR 59 -10.909 -6.202 -4.063 478 HA TYR 59 HA TYR 59 -9.171 -5.913 -6.394 479 1HB TYR 59 2HB TYR 59 -9.685 -4.218 -3.927 480 2HB TYR 59 3HB TYR 59 -8.367 -3.877 -5.030 481 HD1 TYR 59 1HD TYR 59 -8.897 -3.693 -7.502 482 HD2 TYR 59 2HD TYR 59 -11.881 -3.278 -4.456 483 HE1 TYR 59 1HE TYR 59 -10.337 -2.445 -9.113 484 HE2 TYR 59 2HE TYR 59 -13.333 -2.051 -6.042 485 HH TYR 59 HH TYR 59 -13.538 -1.176 -8.175 486 H GLU 60 H GLU 60 -6.822 -5.650 -6.163 487 HA GLU 60 HA GLU 60 -5.663 -6.709 -3.726 488 1HB GLU 60 2HB GLU 60 -6.010 -8.494 -5.833 489 2HB GLU 60 3HB GLU 60 -4.406 -7.791 -6.159 490 1HG GLU 60 2HG GLU 60 -3.594 -8.484 -3.970 491 2HG GLU 60 3HG GLU 60 -5.187 -9.157 -3.574 492 H TYR 61 H TYR 61 -3.510 -6.053 -3.505 493 HA TYR 61 HA TYR 61 -2.509 -3.892 -5.334 494 1HB TYR 61 2HB TYR 61 -2.466 -3.878 -2.306 495 2HB TYR 61 3HB TYR 61 -1.873 -2.625 -3.387 496 HD1 TYR 61 1HD TYR 61 -4.660 -3.799 -1.476 497 HD2 TYR 61 2HD TYR 61 -3.491 -1.197 -4.664 498 HE1 TYR 61 1HE TYR 61 -6.845 -2.647 -1.344 499 HE2 TYR 61 2HE TYR 61 -5.769 -0.180 -4.670 500 HH TYR 61 HH TYR 61 -8.401 -1.331 -2.618 501 H GLN 62 H GLN 62 -0.553 -4.543 -6.137 502 HA GLN 62 HA GLN 62 1.061 -6.481 -4.542 503 1HB GLN 62 2HB GLN 62 0.309 -7.237 -6.785 504 2HB GLN 62 3HB GLN 62 1.059 -5.814 -7.510 505 1HG GLN 62 2HG GLN 62 3.051 -7.155 -5.856 506 2HG GLN 62 3HG GLN 62 2.237 -8.368 -6.838 507 1HE2 GLN 62 2HE2 GLN 62 3.292 -4.933 -7.440 508 2HE2 GLN 62 1HE2 GLN 62 4.209 -5.350 -8.883 509 H LEU 63 H LEU 63 2.268 -5.254 -3.252 510 HA LEU 63 HA LEU 63 4.019 -3.212 -4.522 511 1HB LEU 63 2HB LEU 63 3.872 -1.858 -2.447 512 2HB LEU 63 3HB LEU 63 2.391 -1.954 -3.388 513 HG LEU 63 HG LEU 63 1.920 -4.002 -1.619 514 1HD1 LEU 63 1HD1 LEU 63 4.070 -3.462 -0.387 515 2HD1 LEU 63 2HD1 LEU 63 3.420 -1.847 -0.052 516 3HD1 LEU 63 3HD1 LEU 63 2.609 -3.281 0.606 517 1HD2 LEU 63 1HD2 LEU 63 1.357 -1.037 -1.219 518 2HD2 LEU 63 2HD2 LEU 63 0.386 -2.183 -2.173 519 3HD2 LEU 63 3HD2 LEU 63 0.513 -2.377 -0.418 520 H TYR 64 H TYR 64 5.963 -2.822 -3.155 521 HA TYR 64 HA TYR 64 7.040 -5.392 -2.059 522 1HB TYR 64 2HB TYR 64 7.707 -3.752 -4.461 523 2HB TYR 64 3HB TYR 64 9.050 -4.341 -3.490 524 HD1 TYR 64 1HD TYR 64 9.206 -6.846 -2.995 525 HD2 TYR 64 2HD TYR 64 6.567 -5.210 -5.994 526 HE1 TYR 64 1HE TYR 64 9.207 -8.999 -4.168 527 HE2 TYR 64 2HE TYR 64 6.541 -7.402 -7.157 528 HH TYR 64 HH TYR 64 8.549 -10.148 -6.101 529 H VAL 65 H VAL 65 7.090 -4.700 0.039 530 HA VAL 65 HA VAL 65 8.204 -2.048 0.672 531 HB VAL 65 HB VAL 65 6.232 -2.937 1.888 532 1HG1 VAL 65 1HG1 VAL 65 6.943 -5.316 2.125 533 2HG1 VAL 65 2HG1 VAL 65 8.172 -4.789 3.302 534 3HG1 VAL 65 3HG1 VAL 65 6.447 -4.527 3.630 535 1HG2 VAL 65 1HG2 VAL 65 8.635 -2.333 3.638 536 2HG2 VAL 65 2HG2 VAL 65 7.713 -1.123 2.720 537 3HG2 VAL 65 3HG2 VAL 65 6.905 -2.057 3.977 538 H TYR 66 H TYR 66 10.326 -1.762 1.210 539 HA TYR 66 HA TYR 66 12.082 -4.111 0.870 540 1HB TYR 66 2HB TYR 66 12.435 -1.891 -0.397 541 2HB TYR 66 3HB TYR 66 12.851 -1.179 1.149 542 HD1 TYR 66 1HD TYR 66 13.672 -4.383 -0.569 543 HD2 TYR 66 2HD TYR 66 15.206 -0.788 1.199 544 HE1 TYR 66 1HE TYR 66 15.983 -5.243 -0.873 545 HE2 TYR 66 2HE TYR 66 17.523 -1.585 0.792 546 HH TYR 66 HH TYR 66 18.209 -4.872 0.180 547 H ALA 67 H ALA 67 12.601 -5.155 2.770 548 HA ALA 67 HA ALA 67 12.696 -3.547 5.192 549 1HB ALA 67 1HB ALA 67 10.258 -4.214 4.838 550 2HB ALA 67 2HB ALA 67 10.770 -5.888 5.137 551 3HB ALA 67 3HB ALA 67 10.987 -4.656 6.383 552 H SER 68 H SER 68 13.879 -4.279 6.910 553 HA SER 68 HA SER 68 15.831 -5.181 7.557 554 1HB SER 68 2HB SER 68 14.461 -7.066 8.193 555 2HB SER 68 3HB SER 68 14.678 -7.813 6.604 556 HG SER 68 HG SER 68 16.980 -7.709 7.113 557 H ASP 69 H ASP 69 15.671 -4.104 4.835 558 HA ASP 69 HA ASP 69 16.818 -3.807 2.962 559 1HB ASP 69 2HB ASP 69 18.717 -3.815 4.633 560 2HB ASP 69 3HB ASP 69 19.010 -5.501 4.194 561 H LYS 70 H LYS 70 15.194 -6.426 3.451 562 HA LYS 70 HA LYS 70 16.143 -7.934 1.072 563 1HB LYS 70 2HB LYS 70 13.875 -8.924 2.727 564 2HB LYS 70 3HB LYS 70 15.104 -9.831 1.872 565 1HG LYS 70 2HG LYS 70 15.270 -8.461 4.564 566 2HG LYS 70 3HG LYS 70 15.222 -10.188 4.267 567 1HD LYS 70 2HD LYS 70 17.533 -8.300 3.627 568 2HD LYS 70 3HD LYS 70 17.384 -9.391 4.991 569 1HE LYS 70 2HE LYS 70 18.777 -10.579 3.539 570 2HE LYS 70 3HE LYS 70 17.195 -11.305 3.213 571 1HZ LYS 70 1HZ LYS 70 17.049 -9.867 1.289 572 2HZ LYS 70 2HZ LYS 70 18.505 -9.183 1.645 573 3HZ LYS 70 3HZ LYS 70 18.421 -10.774 1.223 574 H LEU 71 H LEU 71 14.440 -8.548 -0.431 575 HA LEU 71 HA LEU 71 12.373 -6.457 -0.789 576 1HB LEU 71 2HB LEU 71 14.014 -8.167 -2.522 577 2HB LEU 71 3HB LEU 71 12.301 -8.340 -2.900 578 HG LEU 71 HG LEU 71 13.564 -5.634 -2.563 579 1HD1 LEU 71 1HD1 LEU 71 14.969 -6.344 -4.142 580 2HD1 LEU 71 2HD1 LEU 71 13.794 -7.420 -4.957 581 3HD1 LEU 71 3HD1 LEU 71 13.700 -5.650 -5.142 582 1HD2 LEU 71 1HD2 LEU 71 11.219 -6.667 -4.189 583 2HD2 LEU 71 2HD2 LEU 71 11.099 -5.736 -2.660 584 3HD2 LEU 71 3HD2 LEU 71 11.721 -4.969 -4.130 585 H PHE 72 H PHE 72 10.593 -6.861 0.462 586 HA PHE 72 HA PHE 72 9.586 -9.680 0.638 587 1HB PHE 72 2HB PHE 72 9.212 -7.185 2.320 588 2HB PHE 72 3HB PHE 72 8.149 -8.551 2.421 589 HD1 PHE 72 1HD PHE 72 11.273 -7.246 3.472 590 HD2 PHE 72 2HD PHE 72 9.097 -10.898 2.977 591 HE1 PHE 72 1HE PHE 72 12.757 -8.367 5.221 592 HE2 PHE 72 2HE PHE 72 10.529 -12.003 4.676 593 HZ PHE 72 HZ PHE 72 12.340 -10.732 5.800 594 H ARG 73 H ARG 73 8.092 -10.093 -0.931 595 HA ARG 73 HA ARG 73 6.714 -7.975 -2.337 596 1HB ARG 73 2HB ARG 73 7.113 -10.211 -3.384 597 2HB ARG 73 3HB ARG 73 6.072 -10.949 -2.155 598 1HG ARG 73 2HG ARG 73 4.157 -9.628 -2.925 599 2HG ARG 73 3HG ARG 73 5.172 -8.752 -4.087 600 1HD ARG 73 2HD ARG 73 5.441 -10.716 -5.439 601 2HD ARG 73 3HD ARG 73 4.841 -11.777 -4.140 602 HE ARG 73 HE ARG 73 2.806 -9.915 -4.754 603 1HH1 ARG 73 1HH2 ARG 73 4.458 -12.627 -6.284 604 2HH1 ARG 73 2HH2 ARG 73 3.037 -13.238 -7.086 605 1HH2 ARG 73 1HH1 ARG 73 0.912 -10.721 -5.769 606 2HH2 ARG 73 2HH1 ARG 73 0.992 -12.125 -6.792 607 H ALA 74 H ALA 74 4.529 -7.278 -1.918 608 HA ALA 74 HA ALA 74 3.135 -8.656 0.268 609 1HB ALA 74 1HB ALA 74 4.185 -6.836 1.454 610 2HB ALA 74 2HB ALA 74 3.746 -5.683 0.185 611 3HB ALA 74 3HB ALA 74 2.481 -6.393 1.200 612 H ASP 75 H ASP 75 1.240 -9.280 -0.493 613 HA ASP 75 HA ASP 75 0.002 -7.808 -2.775 614 1HB ASP 75 2HB ASP 75 -0.907 -9.981 -3.453 615 2HB ASP 75 3HB ASP 75 0.846 -9.836 -3.621 616 H ILE 76 H ILE 76 -1.419 -6.553 -1.542 617 HA ILE 76 HA ILE 76 -2.845 -7.841 0.752 618 HB ILE 76 HB ILE 76 -2.942 -4.949 -0.212 619 1HG1 ILE 76 2HG1 ILE 76 -1.623 -4.590 1.966 620 2HG1 ILE 76 3HG1 ILE 76 -1.271 -6.313 1.928 621 1HG2 ILE 76 1HG2 ILE 76 -4.944 -5.600 1.065 622 2HG2 ILE 76 2HG2 ILE 76 -3.914 -6.282 2.344 623 3HG2 ILE 76 3HG2 ILE 76 -3.934 -4.543 2.040 624 1HD1 ILE 76 1HD1 ILE 76 0.109 -6.038 -0.037 625 2HD1 ILE 76 2HD1 ILE 76 -0.655 -4.483 -0.442 626 3HD1 ILE 76 3HD1 ILE 76 0.466 -4.625 0.915 627 H SER 77 H SER 77 -5.169 -8.119 0.683 628 HA SER 77 HA SER 77 -6.400 -7.830 -2.011 629 1HB SER 77 2HB SER 77 -5.680 -10.253 -1.113 630 2HB SER 77 3HB SER 77 -7.211 -10.081 -0.241 631 HG SER 77 HG SER 77 -7.931 -9.383 -2.552 632 H GLU 78 H GLU 78 -8.690 -7.346 -1.999 633 HA GLU 78 HA GLU 78 -9.725 -6.540 0.638 634 1HB GLU 78 2HB GLU 78 -10.267 -5.382 -2.139 635 2HB GLU 78 3HB GLU 78 -11.084 -4.871 -0.666 636 1HG GLU 78 2HG GLU 78 -8.670 -4.430 0.265 637 2HG GLU 78 3HG GLU 78 -8.205 -4.467 -1.445 638 H ASP 79 H ASP 79 -12.032 -6.498 0.823 639 HA ASP 79 HA ASP 79 -13.321 -8.918 -0.316 640 1HB ASP 79 2HB ASP 79 -13.496 -8.531 2.108 641 2HB ASP 79 3HB ASP 79 -14.250 -6.959 1.822 642 H TYR 80 H TYR 80 -14.011 -8.497 -2.368 643 HA TYR 80 HA TYR 80 -14.984 -6.383 -3.683 644 1HB TYR 80 2HB TYR 80 -14.864 -8.667 -4.562 645 2HB TYR 80 3HB TYR 80 -16.193 -9.171 -3.522 646 HD1 TYR 80 1HD TYR 80 -17.591 -10.048 -5.228 647 HD2 TYR 80 2HD TYR 80 -15.973 -6.071 -5.679 648 HE1 TYR 80 1HE TYR 80 -18.912 -9.732 -7.298 649 HE2 TYR 80 2HE TYR 80 -17.299 -5.761 -7.724 650 HH TYR 80 HH TYR 80 -18.790 -6.712 -9.202 651 H LYS 81 H LYS 81 -16.830 -8.021 -1.097 652 HA LYS 81 HA LYS 81 -19.393 -7.138 -1.601 653 1HB LYS 81 2HB LYS 81 -18.412 -8.666 0.293 654 2HB LYS 81 3HB LYS 81 -18.198 -7.168 1.201 655 1HG LYS 81 2HG LYS 81 -20.234 -8.194 1.872 656 2HG LYS 81 3HG LYS 81 -20.687 -6.756 0.947 657 1HD LYS 81 2HD LYS 81 -21.735 -7.999 -0.663 658 2HD LYS 81 3HD LYS 81 -20.371 -9.108 -0.806 659 1HE LYS 81 2HE LYS 81 -22.271 -10.399 -0.104 660 2HE LYS 81 3HE LYS 81 -21.108 -10.335 1.228 661 1HZ LYS 81 1HZ LYS 81 -22.449 -8.583 2.195 662 2HZ LYS 81 2HZ LYS 81 -23.535 -8.700 0.960 663 3HZ LYS 81 3HZ LYS 81 -23.321 -9.967 1.991 664 H THR 82 H THR 82 -16.816 -5.333 0.031 665 HA THR 82 HA THR 82 -18.191 -2.778 -0.295 666 HB THR 82 HB THR 82 -17.306 -4.093 2.334 667 HG1 THR 82 1HG THR 82 -19.692 -3.628 1.056 668 1HG2 THR 82 1HG2 THR 82 -16.599 -1.808 2.455 669 2HG2 THR 82 2HG2 THR 82 -18.134 -1.250 1.732 670 3HG2 THR 82 3HG2 THR 82 -18.110 -1.989 3.366 671 H ARG 83 H ARG 83 -15.373 -3.767 1.654 672 HA ARG 83 HA ARG 83 -13.250 -3.482 -0.001 673 1HB ARG 83 2HB ARG 83 -12.385 -1.192 0.487 674 2HB ARG 83 3HB ARG 83 -13.665 -1.245 -0.701 675 1HG ARG 83 2HG ARG 83 -15.215 -0.192 0.678 676 2HG ARG 83 3HG ARG 83 -14.426 -0.711 2.184 677 1HD ARG 83 2HD ARG 83 -12.629 0.802 1.924 678 2HD ARG 83 3HD ARG 83 -13.093 1.215 0.254 679 HE ARG 83 HE ARG 83 -15.309 1.900 1.735 680 1HH1 ARG 83 1HH2 ARG 83 -11.892 2.781 1.859 681 2HH1 ARG 83 2HH2 ARG 83 -12.181 4.435 2.321 682 1HH2 ARG 83 1HH1 ARG 83 -15.712 4.076 2.286 683 2HH2 ARG 83 2HH1 ARG 83 -14.396 5.184 2.565 684 H GLY 84 H GLY 84 -13.635 -5.104 1.938 685 1HA GLY 84 2HA GLY 84 -12.458 -4.314 4.485 686 2HA GLY 84 3HA GLY 84 -12.661 -5.968 3.869 687 H ARG 85 H ARG 85 -10.172 -5.219 5.059 688 HA ARG 85 HA ARG 85 -8.378 -5.487 2.696 689 1HB ARG 85 2HB ARG 85 -6.821 -4.288 4.680 690 2HB ARG 85 3HB ARG 85 -7.376 -3.590 3.173 691 1HG ARG 85 2HG ARG 85 -7.775 -2.069 4.944 692 2HG ARG 85 3HG ARG 85 -9.317 -2.576 4.279 693 1HD ARG 85 2HD ARG 85 -8.460 -4.249 6.583 694 2HD ARG 85 3HD ARG 85 -8.499 -2.526 6.977 695 HE ARG 85 HE ARG 85 -10.891 -3.055 5.624 696 1HH1 ARG 85 1HH2 ARG 85 -9.319 -3.901 8.669 697 2HH1 ARG 85 2HH2 ARG 85 -10.804 -4.016 9.573 698 1HH2 ARG 85 1HH1 ARG 85 -12.848 -3.243 6.775 699 2HH2 ARG 85 2HH1 ARG 85 -12.850 -3.661 8.465 700 H LYS 86 H LYS 86 -7.482 -7.469 2.763 701 HA LYS 86 HA LYS 86 -7.185 -8.812 5.414 702 1HB LYS 86 2HB LYS 86 -7.543 -9.894 2.614 703 2HB LYS 86 3HB LYS 86 -7.010 -10.891 3.973 704 1HG LYS 86 2HG LYS 86 -9.662 -9.382 3.880 705 2HG LYS 86 3HG LYS 86 -9.405 -11.078 3.488 706 1HD LYS 86 2HD LYS 86 -10.146 -11.271 5.623 707 2HD LYS 86 3HD LYS 86 -8.408 -11.344 5.881 708 1HE LYS 86 2HE LYS 86 -8.410 -9.377 7.120 709 2HE LYS 86 3HE LYS 86 -9.571 -8.584 6.048 710 1HZ LYS 86 1HZ LYS 86 -11.299 -9.859 7.076 711 2HZ LYS 86 2HZ LYS 86 -10.219 -10.594 8.081 712 3HZ LYS 86 3HZ LYS 86 -10.475 -8.969 8.189 713 H LEU 87 H LEU 87 -5.306 -9.424 6.154 714 HA LEU 87 HA LEU 87 -2.909 -8.358 4.970 715 1HB LEU 87 2HB LEU 87 -3.509 -8.632 7.418 716 2HB LEU 87 3HB LEU 87 -3.234 -10.362 7.257 717 HG LEU 87 HG LEU 87 -1.193 -8.129 6.862 718 1HD1 LEU 87 1HD1 LEU 87 -1.947 -8.520 9.218 719 2HD1 LEU 87 2HD1 LEU 87 -1.451 -10.215 9.070 720 3HD1 LEU 87 3HD1 LEU 87 -0.242 -8.918 8.968 721 1HD2 LEU 87 1HD2 LEU 87 -0.800 -11.164 6.821 722 2HD2 LEU 87 2HD2 LEU 87 -0.498 -10.050 5.470 723 3HD2 LEU 87 3HD2 LEU 87 0.511 -9.977 6.914 724 H LEU 88 H LEU 88 -2.906 -9.353 2.908 725 HA LEU 88 HA LEU 88 -1.714 -12.111 2.904 726 1HB LEU 88 2HB LEU 88 -3.243 -10.541 0.830 727 2HB LEU 88 3HB LEU 88 -2.144 -11.849 0.367 728 HG LEU 88 HG LEU 88 -4.340 -12.640 0.317 729 1HD1 LEU 88 1HD1 LEU 88 -2.576 -14.180 1.187 730 2HD1 LEU 88 2HD1 LEU 88 -3.128 -13.826 2.842 731 3HD1 LEU 88 3HD1 LEU 88 -4.225 -14.599 1.688 732 1HD2 LEU 88 1HD2 LEU 88 -4.762 -11.962 3.242 733 2HD2 LEU 88 2HD2 LEU 88 -5.374 -10.999 1.875 734 3HD2 LEU 88 3HD2 LEU 88 -5.919 -12.671 2.110 735 H ARG 89 H ARG 89 -0.853 -8.946 3.111 736 HA ARG 89 HA ARG 89 1.361 -8.704 1.464 737 1HB ARG 89 2HB ARG 89 2.265 -7.241 3.337 738 2HB ARG 89 3HB ARG 89 0.741 -6.770 2.611 739 1HG ARG 89 2HG ARG 89 -0.488 -7.615 4.554 740 2HG ARG 89 3HG ARG 89 1.026 -8.259 5.238 741 1HD ARG 89 2HD ARG 89 0.339 -6.108 6.248 742 2HD ARG 89 3HD ARG 89 1.924 -6.024 5.501 743 HE ARG 89 HE ARG 89 -0.554 -4.650 4.709 744 1HH1 ARG 89 1HH2 ARG 89 2.782 -5.390 3.741 745 2HH1 ARG 89 2HH2 ARG 89 2.867 -4.071 2.612 746 1HH2 ARG 89 1HH1 ARG 89 -0.338 -2.836 3.383 747 2HH2 ARG 89 2HH1 ARG 89 1.063 -2.634 2.386 748 H PHE 90 H PHE 90 3.598 -8.552 2.296 749 HA PHE 90 HA PHE 90 5.544 -9.493 2.864 750 1HB PHE 90 2HB PHE 90 3.857 -9.950 5.259 751 2HB PHE 90 3HB PHE 90 5.438 -10.730 5.170 752 HD1 PHE 90 1HD PHE 90 3.720 -7.584 5.665 753 HD2 PHE 90 2HD PHE 90 7.537 -9.406 4.880 754 HE1 PHE 90 1HE PHE 90 4.862 -5.427 6.190 755 HE2 PHE 90 2HE PHE 90 8.667 -7.245 5.303 756 HZ PHE 90 HZ PHE 90 7.317 -5.237 5.917 757 H ASN 91 H ASN 91 5.681 -10.888 1.102 758 HA ASN 91 HA ASN 91 5.401 -13.776 1.670 759 1HB ASN 91 2HB ASN 91 3.354 -12.644 0.494 760 2HB ASN 91 3HB ASN 91 4.420 -12.568 -0.920 761 1HD2 ASN 91 2HD2 ASN 91 1.929 -13.992 -0.764 762 2HD2 ASN 91 1HD2 ASN 91 2.295 -15.706 -0.906 763 H GLY 92 H GLY 92 6.464 -15.025 -0.111 764 1HA GLY 92 2HA GLY 92 8.171 -15.240 -1.754 765 2HA GLY 92 3HA GLY 92 8.864 -13.693 -1.295 766 HA PRO 93 HA PRO 93 10.106 -12.702 0.404 767 1HB PRO 93 2HB PRO 93 12.728 -12.548 1.077 768 2HB PRO 93 3HB PRO 93 11.457 -12.837 2.298 769 1HG PRO 93 2HG PRO 93 13.173 -14.925 0.916 770 2HG PRO 93 3HG PRO 93 12.922 -14.716 2.676 771 1HD PRO 93 2HD PRO 93 11.453 -16.494 1.214 772 2HD PRO 93 3HD PRO 93 10.695 -15.559 2.532 773 H VAL 94 H VAL 94 11.730 -11.428 -0.980 774 HA VAL 94 HA VAL 94 12.377 -12.971 -3.442 775 HB VAL 94 HB VAL 94 11.178 -10.235 -2.984 776 1HG1 VAL 94 1HG1 VAL 94 12.934 -9.836 -4.635 777 2HG1 VAL 94 2HG1 VAL 94 12.380 -11.223 -5.596 778 3HG1 VAL 94 3HG1 VAL 94 11.349 -9.791 -5.389 779 1HG2 VAL 94 1HG2 VAL 94 10.363 -12.681 -4.574 780 2HG2 VAL 94 2HG2 VAL 94 9.623 -12.065 -3.077 781 3HG2 VAL 94 3HG2 VAL 94 9.496 -11.141 -4.574 782 HA PRO 95 HA PRO 95 16.485 -11.498 -2.391 783 1HB PRO 95 2HB PRO 95 17.898 -12.357 -4.569 784 2HB PRO 95 3HB PRO 95 17.245 -13.489 -3.346 785 1HG PRO 95 2HG PRO 95 15.993 -12.702 -5.995 786 2HG PRO 95 3HG PRO 95 16.262 -14.355 -5.366 787 1HD PRO 95 2HD PRO 95 13.875 -13.073 -5.116 788 2HD PRO 95 3HD PRO 95 14.482 -14.135 -3.810 789 HA PRO 96 HA PRO 96 16.517 -7.672 -4.541 790 1HB PRO 96 2HB PRO 96 19.108 -6.757 -4.334 791 2HB PRO 96 3HB PRO 96 17.986 -6.878 -2.947 792 1HG PRO 96 2HG PRO 96 20.055 -8.910 -3.833 793 2HG PRO 96 3HG PRO 96 19.823 -8.238 -2.189 794 1HD PRO 96 2HD PRO 96 18.755 -10.634 -2.906 795 2HD PRO 96 3HD PRO 96 17.823 -9.501 -1.880 796 HA PRO 97 HA PRO 97 17.854 -8.402 -8.737 797 1HB PRO 97 2HB PRO 97 17.542 -5.967 -9.884 798 2HB PRO 97 3HB PRO 97 16.154 -6.835 -9.175 799 1HG PRO 97 2HG PRO 97 17.845 -4.699 -7.829 800 2HG PRO 97 3HG PRO 97 16.066 -4.715 -8.016 801 1HD PRO 97 2HD PRO 97 17.266 -5.642 -5.751 802 2HD PRO 97 3HD PRO 97 15.826 -6.454 -6.440 Start of MODEL 6 1 1H MET 1 1H MET 1 -15.351 -5.712 -14.717 2 2H MET 1 2H MET 1 -14.278 -6.316 -15.807 3 3H MET 1 3H MET 1 -14.888 -4.797 -16.013 4 HA MET 1 HA MET 1 -13.099 -4.045 -15.051 5 1HB MET 1 2HB MET 1 -14.574 -5.309 -12.717 6 2HB MET 1 3HB MET 1 -13.005 -4.542 -12.485 7 1HG MET 1 2HG MET 1 -14.007 -2.598 -12.269 8 2HG MET 1 3HG MET 1 -14.395 -2.632 -13.986 9 1HE MET 1 1HE MET 1 -15.893 -0.868 -11.832 10 2HE MET 1 2HE MET 1 -16.207 -0.889 -13.585 11 3HE MET 1 3HE MET 1 -17.554 -1.066 -12.438 12 H GLY 2 H GLY 2 -11.175 -4.684 -15.683 13 1HA GLY 2 2HA GLY 2 -9.810 -6.789 -14.291 14 2HA GLY 2 3HA GLY 2 -10.062 -7.131 -16.026 15 H GLU 3 H GLU 3 -7.611 -7.005 -15.677 16 HA GLU 3 HA GLU 3 -5.696 -6.054 -16.354 17 1HB GLU 3 2HB GLU 3 -7.422 -4.200 -17.545 18 2HB GLU 3 3HB GLU 3 -6.528 -3.212 -16.409 19 1HG GLU 3 2HG GLU 3 -5.080 -3.049 -18.163 20 2HG GLU 3 3HG GLU 3 -4.441 -4.589 -17.582 21 H TRP 4 H TRP 4 -4.203 -4.161 -15.509 22 HA TRP 4 HA TRP 4 -4.490 -4.044 -12.549 23 1HB TRP 4 2HB TRP 4 -1.974 -3.742 -14.230 24 2HB TRP 4 3HB TRP 4 -2.091 -3.671 -12.502 25 HD1 TRP 4 HD TRP 4 -3.092 -6.363 -15.145 26 HE1 TRP 4 1HE TRP 4 -2.365 -8.642 -14.298 27 HE3 TRP 4 3HE TRP 4 -1.052 -4.933 -10.701 28 HZ2 TRP 4 2HZ TRP 4 -1.003 -9.738 -11.981 29 HZ3 TRP 4 3HZ TRP 4 0.058 -6.599 -9.231 30 HH2 TRP 4 HH TRP 4 0.057 -9.014 -9.853 31 H GLU 5 H GLU 5 -3.745 -1.998 -11.588 32 HA GLU 5 HA GLU 5 -4.185 0.423 -13.264 33 1HB GLU 5 2HB GLU 5 -5.687 -0.509 -10.840 34 2HB GLU 5 3HB GLU 5 -5.499 1.201 -11.088 35 1HG GLU 5 2HG GLU 5 -6.538 -0.340 -13.447 36 2HG GLU 5 3HG GLU 5 -7.598 -0.242 -12.036 37 H ILE 6 H ILE 6 -3.602 2.303 -12.113 38 HA ILE 6 HA ILE 6 -0.970 2.007 -10.948 39 HB ILE 6 HB ILE 6 -1.007 4.493 -10.854 40 1HG1 ILE 6 2HG1 ILE 6 -3.310 4.852 -12.650 41 2HG1 ILE 6 3HG1 ILE 6 -3.836 4.283 -11.067 42 1HG2 ILE 6 1HG2 ILE 6 -0.123 3.271 -12.792 43 2HG2 ILE 6 2HG2 ILE 6 -1.729 3.271 -13.549 44 3HG2 ILE 6 3HG2 ILE 6 -0.869 4.802 -13.284 45 1HD1 ILE 6 1HD1 ILE 6 -2.719 6.087 -9.946 46 2HD1 ILE 6 2HD1 ILE 6 -1.959 6.650 -11.449 47 3HD1 ILE 6 3HD1 ILE 6 -3.721 6.770 -11.241 48 H ILE 7 H ILE 7 -0.316 2.394 -8.896 49 HA ILE 7 HA ILE 7 -2.267 2.163 -6.780 50 HB ILE 7 HB ILE 7 -0.034 1.100 -6.939 51 1HG1 ILE 7 2HG1 ILE 7 -1.280 1.152 -4.834 52 2HG1 ILE 7 3HG1 ILE 7 0.461 0.981 -4.694 53 1HG2 ILE 7 1HG2 ILE 7 1.357 2.892 -7.731 54 2HG2 ILE 7 2HG2 ILE 7 1.063 3.848 -6.275 55 3HG2 ILE 7 3HG2 ILE 7 1.940 2.326 -6.150 56 1HD1 ILE 7 1HD1 ILE 7 0.698 3.345 -4.093 57 2HD1 ILE 7 2HD1 ILE 7 -1.066 3.546 -4.124 58 3HD1 ILE 7 3HD1 ILE 7 -0.332 2.427 -2.978 59 H ASP 8 H ASP 8 -0.317 4.816 -8.167 60 HA ASP 8 HA ASP 8 -0.357 7.050 -7.860 61 1HB ASP 8 2HB ASP 8 -3.104 6.347 -7.758 62 2HB ASP 8 3HB ASP 8 -2.882 7.278 -6.297 63 H ILE 9 H ILE 9 -1.129 8.735 -5.812 64 HA ILE 9 HA ILE 9 0.443 7.695 -3.497 65 HB ILE 9 HB ILE 9 0.712 10.445 -4.756 66 1HG1 ILE 9 2HG1 ILE 9 1.924 8.902 -6.193 67 2HG1 ILE 9 3HG1 ILE 9 3.058 9.840 -5.236 68 1HG2 ILE 9 1HG2 ILE 9 1.076 10.764 -2.475 69 2HG2 ILE 9 2HG2 ILE 9 1.957 9.225 -2.290 70 3HG2 ILE 9 3HG2 ILE 9 2.691 10.595 -3.148 71 1HD1 ILE 9 1HD1 ILE 9 3.003 7.742 -3.596 72 2HD1 ILE 9 2HD1 ILE 9 2.421 6.908 -5.047 73 3HD1 ILE 9 3HD1 ILE 9 3.982 7.731 -5.067 74 H GLY 10 H GLY 10 0.008 9.062 -1.582 75 1HA GLY 10 2HA GLY 10 -1.390 10.434 -0.273 76 2HA GLY 10 3HA GLY 10 -2.598 10.462 -1.552 77 HA PRO 11 HA PRO 11 -4.201 7.496 1.574 78 1HB PRO 11 2HB PRO 11 -6.859 7.600 0.970 79 2HB PRO 11 3HB PRO 11 -5.998 8.929 1.781 80 1HG PRO 11 2HG PRO 11 -6.706 8.694 -1.148 81 2HG PRO 11 3HG PRO 11 -6.883 10.111 -0.075 82 1HD PRO 11 2HD PRO 11 -4.757 9.727 -1.800 83 2HD PRO 11 3HD PRO 11 -4.618 10.659 -0.277 84 H PHE 12 H PHE 12 -2.764 6.180 -0.045 85 HA PHE 12 HA PHE 12 -4.296 3.873 -0.891 86 1HB PHE 12 2HB PHE 12 -4.233 5.763 -2.738 87 2HB PHE 12 3HB PHE 12 -2.604 5.218 -3.024 88 HD1 PHE 12 1HD PHE 12 -2.932 2.224 -2.713 89 HD2 PHE 12 2HD PHE 12 -5.394 5.198 -4.658 90 HE1 PHE 12 1HE PHE 12 -3.477 0.647 -4.483 91 HE2 PHE 12 2HE PHE 12 -6.042 3.533 -6.364 92 HZ PHE 12 HZ PHE 12 -5.117 1.240 -6.270 93 H THR 13 H THR 13 -1.042 5.276 -1.702 94 HA THR 13 HA THR 13 0.339 2.885 -0.952 95 HB THR 13 HB THR 13 1.190 4.721 -2.506 96 HG1 THR 13 1HG THR 13 2.907 3.804 -0.453 97 1HG2 THR 13 1HG2 THR 13 0.879 6.697 -1.047 98 2HG2 THR 13 2HG2 THR 13 2.145 6.063 0.041 99 3HG2 THR 13 3HG2 THR 13 2.545 6.484 -1.620 100 H GLN 14 H GLN 14 -0.313 5.970 0.800 101 HA GLN 14 HA GLN 14 1.127 5.093 3.102 102 1HB GLN 14 2HB GLN 14 -0.528 7.431 2.337 103 2HB GLN 14 3HB GLN 14 -0.769 6.924 3.991 104 1HG GLN 14 2HG GLN 14 0.993 8.354 4.315 105 2HG GLN 14 3HG GLN 14 1.908 6.874 4.083 106 1HE2 GLN 14 2HE2 GLN 14 0.646 9.791 2.435 107 2HE2 GLN 14 1HE2 GLN 14 1.931 9.878 1.243 108 H ASN 15 H ASN 15 -2.311 4.914 2.180 109 HA ASN 15 HA ASN 15 -3.383 3.950 4.585 110 1HB ASN 15 2HB ASN 15 -4.163 3.933 1.743 111 2HB ASN 15 3HB ASN 15 -4.663 2.447 2.535 112 1HD2 ASN 15 2HD2 ASN 15 -6.379 2.473 4.010 113 2HD2 ASN 15 1HD2 ASN 15 -7.242 3.948 4.398 114 H LEU 16 H LEU 16 -2.159 1.982 1.861 115 HA LEU 16 HA LEU 16 -2.252 -0.510 3.332 116 1HB LEU 16 2HB LEU 16 -0.725 0.335 0.846 117 2HB LEU 16 3HB LEU 16 -0.839 -1.327 1.440 118 HG LEU 16 HG LEU 16 -3.222 0.394 0.572 119 1HD1 LEU 16 1HD1 LEU 16 -1.619 -0.461 -1.205 120 2HD1 LEU 16 2HD1 LEU 16 -2.161 -2.091 -0.723 121 3HD1 LEU 16 3HD1 LEU 16 -3.327 -0.884 -1.334 122 1HD2 LEU 16 1HD2 LEU 16 -3.022 -2.320 1.858 123 2HD2 LEU 16 2HD2 LEU 16 -4.181 -1.016 2.174 124 3HD2 LEU 16 3HD2 LEU 16 -4.324 -1.983 0.702 125 H ALA 17 H ALA 17 0.467 1.813 2.759 126 HA ALA 17 HA ALA 17 2.462 0.263 3.992 127 1HB ALA 17 1HB ALA 17 2.897 2.332 2.740 128 2HB ALA 17 2HB ALA 17 2.086 3.278 4.012 129 3HB ALA 17 3HB ALA 17 3.596 2.421 4.372 130 H LYS 18 H LYS 18 0.101 2.567 5.505 131 HA LYS 18 HA LYS 18 1.186 2.186 8.114 132 1HB LYS 18 2HB LYS 18 -1.044 3.698 6.941 133 2HB LYS 18 3HB LYS 18 -1.580 2.857 8.385 134 1HG LYS 18 2HG LYS 18 0.797 4.741 8.227 135 2HG LYS 18 3HG LYS 18 -0.799 5.075 8.920 136 1HD LYS 18 2HD LYS 18 -0.337 3.033 10.498 137 2HD LYS 18 3HD LYS 18 1.345 3.186 9.983 138 1HE LYS 18 2HE LYS 18 0.929 5.777 10.585 139 2HE LYS 18 3HE LYS 18 -0.321 5.073 11.626 140 1HZ LYS 18 1HZ LYS 18 1.428 3.684 12.573 141 2HZ LYS 18 2HZ LYS 18 2.547 4.435 11.621 142 3HZ LYS 18 3HZ LYS 18 1.737 5.293 12.768 143 H PHE 19 H PHE 19 -1.700 0.854 6.437 144 HA PHE 19 HA PHE 19 -2.668 -0.851 8.380 145 1HB PHE 19 2HB PHE 19 -3.616 -0.493 6.100 146 2HB PHE 19 3HB PHE 19 -2.344 -1.496 5.431 147 HD1 PHE 19 1HD PHE 19 -3.075 -3.613 4.766 148 HD2 PHE 19 2HD PHE 19 -4.875 -1.789 8.244 149 HE1 PHE 19 1HE PHE 19 -4.453 -5.642 5.137 150 HE2 PHE 19 2HE PHE 19 -6.230 -3.830 8.601 151 HZ PHE 19 HZ PHE 19 -5.884 -5.827 7.106 152 H ALA 20 H ALA 20 0.034 -1.464 6.145 153 HA ALA 20 HA ALA 20 0.778 -4.006 6.919 154 1HB ALA 20 1HB ALA 20 1.927 -2.359 5.187 155 2HB ALA 20 2HB ALA 20 2.997 -1.977 6.523 156 3HB ALA 20 3HB ALA 20 2.873 -3.641 5.977 157 H VAL 21 H VAL 21 2.251 -1.080 8.309 158 HA VAL 21 HA VAL 21 3.697 -2.546 10.280 159 HB VAL 21 HB VAL 21 2.950 0.411 10.127 160 1HG1 VAL 21 1HG1 VAL 21 3.754 -0.141 12.416 161 2HG1 VAL 21 2HG1 VAL 21 5.143 -1.012 11.734 162 3HG1 VAL 21 3HG1 VAL 21 4.998 0.741 11.516 163 1HG2 VAL 21 1HG2 VAL 21 5.621 -0.785 9.433 164 2HG2 VAL 21 2HG2 VAL 21 4.373 -0.668 8.188 165 3HG2 VAL 21 3HG2 VAL 21 4.984 0.793 8.977 166 H ASP 22 H ASP 22 0.761 -0.538 10.410 167 HA ASP 22 HA ASP 22 0.127 -0.607 13.111 168 1HB ASP 22 2HB ASP 22 -1.111 0.827 11.608 169 2HB ASP 22 3HB ASP 22 -1.582 -0.539 10.587 170 H GLU 23 H GLU 23 -1.257 -2.788 10.580 171 HA GLU 23 HA GLU 23 -2.588 -4.372 12.519 172 1HB GLU 23 2HB GLU 23 -2.882 -3.996 9.899 173 2HB GLU 23 3HB GLU 23 -1.974 -5.507 9.792 174 1HG GLU 23 2HG GLU 23 -4.493 -4.992 11.458 175 2HG GLU 23 3HG GLU 23 -4.512 -5.518 9.770 176 H GLU 24 H GLU 24 0.483 -4.808 10.719 177 HA GLU 24 HA GLU 24 1.377 -7.231 11.778 178 1HB GLU 24 2HB GLU 24 2.698 -6.143 10.162 179 2HB GLU 24 3HB GLU 24 2.830 -4.660 11.095 180 1HG GLU 24 2HG GLU 24 4.006 -7.187 12.204 181 2HG GLU 24 3HG GLU 24 4.846 -6.242 10.976 182 H ASN 25 H ASN 25 1.563 -3.972 13.344 183 HA ASN 25 HA ASN 25 2.877 -5.027 15.670 184 1HB ASN 25 2HB ASN 25 2.302 -2.432 14.663 185 2HB ASN 25 3HB ASN 25 1.416 -2.532 16.173 186 1HD2 ASN 25 2HD2 ASN 25 4.633 -2.978 14.653 187 2HD2 ASN 25 1HD2 ASN 25 5.539 -2.628 16.120 188 H LYS 26 H LYS 26 -0.499 -4.229 14.929 189 HA LYS 26 HA LYS 26 -1.681 -4.677 17.428 190 1HB LYS 26 2HB LYS 26 -2.817 -3.690 15.541 191 2HB LYS 26 3HB LYS 26 -2.735 -5.188 14.619 192 1HG LYS 26 2HG LYS 26 -4.126 -5.266 17.285 193 2HG LYS 26 3HG LYS 26 -4.923 -4.433 15.936 194 1HD LYS 26 2HD LYS 26 -4.832 -6.378 14.517 195 2HD LYS 26 3HD LYS 26 -3.865 -7.273 15.684 196 1HE LYS 26 2HE LYS 26 -6.354 -6.308 16.918 197 2HE LYS 26 3HE LYS 26 -6.672 -7.264 15.463 198 1HZ LYS 26 1HZ LYS 26 -5.285 -8.988 16.365 199 2HZ LYS 26 2HZ LYS 26 -5.033 -8.117 17.741 200 3HZ LYS 26 3HZ LYS 26 -6.550 -8.651 17.366 201 H ILE 27 H ILE 27 -0.660 -7.037 14.949 202 HA ILE 27 HA ILE 27 -1.483 -9.291 16.719 203 HB ILE 27 HB ILE 27 -0.378 -9.246 13.890 204 1HG1 ILE 27 2HG1 ILE 27 -3.160 -9.654 15.080 205 2HG1 ILE 27 3HG1 ILE 27 -2.622 -8.360 13.998 206 1HG2 ILE 27 1HG2 ILE 27 0.277 -11.324 15.126 207 2HG2 ILE 27 2HG2 ILE 27 -1.423 -11.577 15.562 208 3HG2 ILE 27 3HG2 ILE 27 -0.891 -11.653 13.864 209 1HD1 ILE 27 1HD1 ILE 27 -2.173 -10.153 12.243 210 2HD1 ILE 27 2HD1 ILE 27 -3.041 -11.287 13.313 211 3HD1 ILE 27 3HD1 ILE 27 -3.875 -9.871 12.666 212 H GLY 28 H GLY 28 1.509 -8.554 14.900 213 1HA GLY 28 2HA GLY 28 3.700 -8.650 15.545 214 2HA GLY 28 3HA GLY 28 3.248 -9.231 17.150 215 H GLN 29 H GLN 29 2.361 -10.634 13.959 216 HA GLN 29 HA GLN 29 3.299 -13.248 14.833 217 1HB GLN 29 2HB GLN 29 1.370 -12.341 12.975 218 2HB GLN 29 3HB GLN 29 2.641 -13.010 11.974 219 1HG GLN 29 2HG GLN 29 1.687 -14.986 12.272 220 2HG GLN 29 3HG GLN 29 2.373 -15.014 13.890 221 1HE2 GLN 29 2HE2 GLN 29 0.894 -13.743 15.592 222 2HE2 GLN 29 1HE2 GLN 29 -0.823 -14.049 15.404 223 H TYR 30 H TYR 30 4.203 -10.993 12.229 224 HA TYR 30 HA TYR 30 6.809 -12.416 11.827 225 1HB TYR 30 2HB TYR 30 6.737 -11.069 9.622 226 2HB TYR 30 3HB TYR 30 5.786 -12.531 9.801 227 HD1 TYR 30 1HD TYR 30 5.581 -8.845 9.429 228 HD2 TYR 30 2HD TYR 30 3.368 -12.523 9.841 229 HE1 TYR 30 1HE TYR 30 3.519 -7.684 8.785 230 HE2 TYR 30 2HE TYR 30 1.252 -11.279 9.470 231 HH TYR 30 HH TYR 30 1.205 -7.738 8.892 232 H GLY 31 H GLY 31 5.368 -9.131 11.992 233 1HA GLY 31 2HA GLY 31 6.317 -7.323 13.167 234 2HA GLY 31 3HA GLY 31 7.873 -8.131 13.274 235 H ARG 32 H ARG 32 7.695 -5.472 12.260 236 HA ARG 32 HA ARG 32 7.876 -5.714 9.360 237 1HB ARG 32 2HB ARG 32 5.885 -4.346 10.279 238 2HB ARG 32 3HB ARG 32 7.048 -3.088 10.669 239 1HG ARG 32 2HG ARG 32 6.965 -4.329 7.921 240 2HG ARG 32 3HG ARG 32 5.603 -3.330 8.459 241 1HD ARG 32 2HD ARG 32 7.529 -1.553 8.915 242 2HD ARG 32 3HD ARG 32 8.417 -2.543 7.778 243 HE ARG 32 HE ARG 32 6.020 -2.165 6.475 244 1HH1 ARG 32 1HH2 ARG 32 8.388 0.067 7.789 245 2HH1 ARG 32 2HH2 ARG 32 7.814 1.452 6.889 246 1HH2 ARG 32 1HH1 ARG 32 5.146 -0.338 5.395 247 2HH2 ARG 32 2HH1 ARG 32 5.946 1.202 5.506 248 H LEU 33 H LEU 33 9.740 -6.480 11.084 249 HA LEU 33 HA LEU 33 12.046 -6.047 11.944 250 1HB LEU 33 2HB LEU 33 13.376 -5.815 10.077 251 2HB LEU 33 3HB LEU 33 12.193 -7.109 10.169 252 HG LEU 33 HG LEU 33 10.669 -5.714 8.582 253 1HD1 LEU 33 1HD1 LEU 33 11.693 -3.664 8.792 254 2HD1 LEU 33 2HD1 LEU 33 13.341 -4.267 8.448 255 3HD1 LEU 33 3HD1 LEU 33 12.123 -4.104 7.210 256 1HD2 LEU 33 1HD2 LEU 33 12.730 -7.680 8.168 257 2HD2 LEU 33 2HD2 LEU 33 11.175 -7.444 7.390 258 3HD2 LEU 33 3HD2 LEU 33 12.604 -6.597 6.796 259 H THR 34 H THR 34 13.182 -3.607 10.173 260 HA THR 34 HA THR 34 12.402 -1.496 12.146 261 HB THR 34 HB THR 34 14.914 -2.134 10.666 262 HG1 THR 34 1HG THR 34 14.248 -1.149 13.237 263 1HG2 THR 34 1HG2 THR 34 14.600 0.090 9.827 264 2HG2 THR 34 2HG2 THR 34 14.118 0.702 11.431 265 3HG2 THR 34 3HG2 THR 34 15.781 0.140 11.141 266 H PHE 35 H PHE 35 11.295 0.217 11.473 267 HA PHE 35 HA PHE 35 9.797 0.535 9.261 268 1HB PHE 35 2HB PHE 35 11.257 2.828 10.571 269 2HB PHE 35 3HB PHE 35 9.725 2.894 9.726 270 HD1 PHE 35 1HD PHE 35 7.672 1.763 10.781 271 HD2 PHE 35 2HD PHE 35 11.399 2.305 12.897 272 HE1 PHE 35 1HE PHE 35 6.504 1.472 12.962 273 HE2 PHE 35 2HE PHE 35 10.228 1.933 15.045 274 HZ PHE 35 HZ PHE 35 7.778 1.516 15.076 275 H ASN 36 H ASN 36 10.616 0.008 7.224 276 HA ASN 36 HA ASN 36 13.010 1.366 6.173 277 1HB ASN 36 2HB ASN 36 12.805 -0.467 4.489 278 2HB ASN 36 3HB ASN 36 13.031 -1.049 6.135 279 1HD2 ASN 36 2HD2 ASN 36 11.190 -1.905 7.355 280 2HD2 ASN 36 1HD2 ASN 36 9.821 -2.551 6.423 281 H LYS 37 H LYS 37 10.974 0.235 3.697 282 HA LYS 37 HA LYS 37 9.202 2.345 3.301 283 1HB LYS 37 2HB LYS 37 11.134 3.819 3.182 284 2HB LYS 37 3HB LYS 37 11.991 2.713 2.098 285 1HG LYS 37 2HG LYS 37 10.618 3.234 0.294 286 2HG LYS 37 3HG LYS 37 9.337 3.928 1.296 287 1HD LYS 37 2HD LYS 37 11.980 5.315 1.517 288 2HD LYS 37 3HD LYS 37 11.316 5.272 -0.112 289 1HE LYS 37 2HE LYS 37 9.063 6.031 1.311 290 2HE LYS 37 3HE LYS 37 10.336 6.782 2.274 291 1HZ LYS 37 1HZ LYS 37 10.930 8.059 0.465 292 2HZ LYS 37 2HZ LYS 37 10.261 7.031 -0.638 293 3HZ LYS 37 3HZ LYS 37 9.291 7.968 0.298 294 H VAL 38 H VAL 38 8.341 2.134 1.067 295 HA VAL 38 HA VAL 38 8.676 -0.595 -0.048 296 HB VAL 38 HB VAL 38 6.412 0.038 0.569 297 1HG1 VAL 38 1HG1 VAL 38 6.206 2.321 0.675 298 2HG1 VAL 38 2HG1 VAL 38 7.022 2.591 -0.876 299 3HG1 VAL 38 3HG1 VAL 38 5.353 2.008 -0.841 300 1HG2 VAL 38 1HG2 VAL 38 6.772 0.065 -2.442 301 2HG2 VAL 38 2HG2 VAL 38 6.500 -1.334 -1.371 302 3HG2 VAL 38 3HG2 VAL 38 5.228 -0.140 -1.587 303 H ILE 39 H ILE 39 9.369 -0.866 -2.210 304 HA ILE 39 HA ILE 39 11.306 0.852 -3.211 305 HB ILE 39 HB ILE 39 10.654 -0.126 -5.523 306 1HG1 ILE 39 2HG1 ILE 39 9.392 -2.425 -4.282 307 2HG1 ILE 39 3HG1 ILE 39 8.329 -1.042 -4.115 308 1HG2 ILE 39 1HG2 ILE 39 12.556 -0.882 -4.240 309 2HG2 ILE 39 2HG2 ILE 39 11.524 -1.925 -3.238 310 3HG2 ILE 39 3HG2 ILE 39 11.728 -2.262 -4.973 311 1HD1 ILE 39 1HD1 ILE 39 8.616 -0.605 -6.600 312 2HD1 ILE 39 2HD1 ILE 39 9.389 -2.209 -6.690 313 3HD1 ILE 39 3HD1 ILE 39 7.705 -2.049 -6.144 314 H ARG 40 H ARG 40 7.937 0.803 -4.386 315 HA ARG 40 HA ARG 40 6.586 2.276 -5.188 316 1HB ARG 40 2HB ARG 40 8.194 3.963 -3.447 317 2HB ARG 40 3HB ARG 40 7.678 4.868 -4.870 318 1HG ARG 40 2HG ARG 40 5.329 4.184 -4.445 319 2HG ARG 40 3HG ARG 40 5.832 3.285 -3.018 320 1HD ARG 40 2HD ARG 40 6.590 6.209 -3.269 321 2HD ARG 40 3HD ARG 40 4.893 5.794 -2.943 322 HE ARG 40 HE ARG 40 6.268 4.302 -1.107 323 1HH1 ARG 40 1HH2 ARG 40 6.019 7.735 -1.854 324 2HH1 ARG 40 2HH2 ARG 40 6.060 8.250 -0.189 325 1HH2 ARG 40 1HH1 ARG 40 6.330 4.946 1.073 326 2HH2 ARG 40 2HH1 ARG 40 6.224 6.630 1.504 327 HA PRO 41 HA PRO 41 5.297 3.568 -6.506 328 1HB PRO 41 2HB PRO 41 4.138 3.453 -8.952 329 2HB PRO 41 3HB PRO 41 4.898 4.921 -8.287 330 1HG PRO 41 2HG PRO 41 6.015 3.006 -10.316 331 2HG PRO 41 3HG PRO 41 6.150 4.787 -10.256 332 1HD PRO 41 2HD PRO 41 8.095 2.948 -9.356 333 2HD PRO 41 3HD PRO 41 8.018 4.661 -8.865 334 H CYS 42 H CYS 42 3.394 1.999 -7.432 335 HA CYS 42 HA CYS 42 4.340 -0.797 -7.506 336 1HB CYS 42 2HB CYS 42 2.696 0.396 -5.241 337 2HB CYS 42 3HB CYS 42 2.889 -1.335 -5.552 338 HG CYS 42 HG CYS 42 4.465 -0.594 -3.550 339 H MET 43 H MET 43 1.944 -2.135 -7.430 340 HA MET 43 HA MET 43 0.209 -0.681 -9.365 341 1HB MET 43 2HB MET 43 2.220 -1.665 -10.529 342 2HB MET 43 3HB MET 43 1.688 -3.264 -10.026 343 1HG MET 43 2HG MET 43 0.107 -3.350 -11.631 344 2HG MET 43 3HG MET 43 -0.454 -1.701 -11.378 345 1HE MET 43 1HE MET 43 0.305 0.375 -12.942 346 2HE MET 43 2HE MET 43 1.668 0.183 -11.812 347 3HE MET 43 3HE MET 43 1.977 0.383 -13.553 348 H LYS 44 H LYS 44 -1.907 -1.315 -9.234 349 HA LYS 44 HA LYS 44 -2.455 -3.623 -7.416 350 1HB LYS 44 2HB LYS 44 -4.237 -2.517 -6.573 351 2HB LYS 44 3HB LYS 44 -3.044 -1.206 -6.748 352 1HG LYS 44 2HG LYS 44 -4.469 -0.021 -7.996 353 2HG LYS 44 3HG LYS 44 -4.641 -1.318 -9.147 354 1HD LYS 44 2HD LYS 44 -6.323 -2.444 -7.536 355 2HD LYS 44 3HD LYS 44 -6.201 -1.006 -6.541 356 1HE LYS 44 2HE LYS 44 -6.819 0.369 -8.642 357 2HE LYS 44 3HE LYS 44 -7.247 -1.178 -9.410 358 1HZ LYS 44 1HZ LYS 44 -9.026 -1.384 -8.144 359 2HZ LYS 44 2HZ LYS 44 -8.395 -0.621 -6.827 360 3HZ LYS 44 3HZ LYS 44 -8.946 0.256 -8.112 361 H LYS 45 H LYS 45 -4.692 -4.588 -7.876 362 HA LYS 45 HA LYS 45 -5.746 -4.196 -10.496 363 1HB LYS 45 2HB LYS 45 -5.313 -6.240 -11.554 364 2HB LYS 45 3HB LYS 45 -3.759 -5.725 -10.937 365 1HG LYS 45 2HG LYS 45 -5.532 -7.924 -9.768 366 2HG LYS 45 3HG LYS 45 -4.063 -8.077 -10.722 367 1HD LYS 45 2HD LYS 45 -2.817 -6.856 -8.879 368 2HD LYS 45 3HD LYS 45 -4.269 -6.992 -7.881 369 1HE LYS 45 2HE LYS 45 -4.108 -9.337 -7.705 370 2HE LYS 45 3HE LYS 45 -3.252 -9.497 -9.236 371 1HZ LYS 45 1HZ LYS 45 -1.367 -8.385 -8.138 372 2HZ LYS 45 2HZ LYS 45 -2.106 -8.673 -6.691 373 3HZ LYS 45 3HZ LYS 45 -1.705 -9.927 -7.680 374 H THR 46 H THR 46 -7.348 -6.304 -10.804 375 HA THR 46 HA THR 46 -8.708 -6.729 -8.194 376 HB THR 46 HB THR 46 -9.856 -5.156 -9.758 377 HG1 THR 46 1HG THR 46 -11.857 -6.152 -9.380 378 1HG2 THR 46 1HG2 THR 46 -9.322 -6.418 -11.892 379 2HG2 THR 46 2HG2 THR 46 -10.569 -7.592 -11.391 380 3HG2 THR 46 3HG2 THR 46 -11.005 -5.903 -11.692 381 H ILE 47 H ILE 47 -8.728 -8.811 -7.599 382 HA ILE 47 HA ILE 47 -7.683 -10.809 -9.480 383 HB ILE 47 HB ILE 47 -6.886 -11.034 -7.273 384 1HG1 ILE 47 2HG1 ILE 47 -9.046 -13.157 -7.603 385 2HG1 ILE 47 3HG1 ILE 47 -7.583 -13.127 -8.585 386 1HG2 ILE 47 1HG2 ILE 47 -8.379 -9.889 -5.924 387 2HG2 ILE 47 2HG2 ILE 47 -9.782 -10.841 -6.485 388 3HG2 ILE 47 3HG2 ILE 47 -8.587 -11.546 -5.383 389 1HD1 ILE 47 1HD1 ILE 47 -6.229 -13.256 -6.419 390 2HD1 ILE 47 2HD1 ILE 47 -7.754 -13.517 -5.546 391 3HD1 ILE 47 3HD1 ILE 47 -7.231 -14.681 -6.758 392 H TYR 48 H TYR 48 -8.845 -12.549 -10.262 393 HA TYR 48 HA TYR 48 -11.754 -12.081 -10.587 394 1HB TYR 48 2HB TYR 48 -10.120 -13.920 -12.306 395 2HB TYR 48 3HB TYR 48 -11.698 -13.102 -12.605 396 HD1 TYR 48 1HD TYR 48 -10.836 -10.331 -11.922 397 HD2 TYR 48 2HD TYR 48 -8.890 -13.326 -14.303 398 HE1 TYR 48 1HE TYR 48 -9.658 -8.566 -13.186 399 HE2 TYR 48 2HE TYR 48 -7.798 -11.563 -15.648 400 HH TYR 48 HH TYR 48 -7.509 -9.310 -15.956 401 H GLU 49 H GLU 49 -12.389 -14.630 -11.472 402 HA GLU 49 HA GLU 49 -11.807 -16.586 -9.362 403 1HB GLU 49 2HB GLU 49 -14.265 -14.960 -9.629 404 2HB GLU 49 3HB GLU 49 -14.592 -16.683 -9.645 405 1HG GLU 49 2HG GLU 49 -12.703 -15.808 -7.484 406 2HG GLU 49 3HG GLU 49 -14.310 -15.109 -7.375 407 H ASN 50 H ASN 50 -10.693 -17.399 -11.068 408 HA ASN 50 HA ASN 50 -11.682 -18.176 -13.611 409 1HB ASN 50 2HB ASN 50 -10.078 -20.091 -13.443 410 2HB ASN 50 3HB ASN 50 -9.356 -18.508 -13.160 411 1HD2 ASN 50 2HD2 ASN 50 -8.397 -18.055 -11.124 412 2HD2 ASN 50 1HD2 ASN 50 -8.297 -19.277 -9.870 413 H GLU 51 H GLU 51 -13.156 -19.639 -14.233 414 HA GLU 51 HA GLU 51 -14.589 -21.357 -14.275 415 1HB GLU 51 2HB GLU 51 -12.815 -22.445 -12.661 416 2HB GLU 51 3HB GLU 51 -14.037 -22.193 -11.414 417 1HG GLU 51 2HG GLU 51 -14.489 -23.724 -14.028 418 2HG GLU 51 3HG GLU 51 -13.951 -24.467 -12.521 419 H GLY 52 H GLY 52 -16.830 -21.733 -13.607 420 1HA GLY 52 2HA GLY 52 -18.854 -21.163 -12.753 421 2HA GLY 52 3HA GLY 52 -18.011 -20.427 -11.390 422 H PHE 53 H PHE 53 -18.921 -19.845 -14.787 423 HA PHE 53 HA PHE 53 -19.472 -17.975 -15.965 424 1HB PHE 53 2HB PHE 53 -20.659 -17.245 -13.283 425 2HB PHE 53 3HB PHE 53 -20.761 -16.191 -14.683 426 HD1 PHE 53 1HD PHE 53 -21.668 -19.630 -13.506 427 HD2 PHE 53 2HD PHE 53 -22.422 -16.448 -16.327 428 HE1 PHE 53 1HE PHE 53 -23.739 -20.772 -14.257 429 HE2 PHE 53 2HE PHE 53 -24.502 -17.579 -17.041 430 HZ PHE 53 HZ PHE 53 -25.164 -19.744 -16.015 431 H ARG 54 H ARG 54 -18.945 -15.950 -13.230 432 HA ARG 54 HA ARG 54 -16.331 -15.012 -13.813 433 1HB ARG 54 2HB ARG 54 -16.910 -12.829 -14.818 434 2HB ARG 54 3HB ARG 54 -17.192 -14.193 -15.895 435 1HG ARG 54 2HG ARG 54 -19.688 -14.040 -15.113 436 2HG ARG 54 3HG ARG 54 -19.245 -12.445 -14.487 437 1HD ARG 54 2HD ARG 54 -18.482 -11.777 -16.744 438 2HD ARG 54 3HD ARG 54 -18.927 -13.393 -17.354 439 HE ARG 54 HE ARG 54 -21.128 -12.143 -15.984 440 1HH1 ARG 54 1HH2 ARG 54 -19.362 -12.035 -19.037 441 2HH1 ARG 54 2HH2 ARG 54 -20.728 -11.504 -19.978 442 1HH2 ARG 54 1HH1 ARG 54 -22.923 -11.444 -17.187 443 2HH2 ARG 54 2HH1 ARG 54 -22.794 -11.150 -18.899 444 H GLU 55 H GLU 55 -16.747 -15.538 -11.448 445 HA GLU 55 HA GLU 55 -18.240 -13.498 -9.964 446 1HB GLU 55 2HB GLU 55 -17.552 -16.121 -9.423 447 2HB GLU 55 3HB GLU 55 -16.288 -15.250 -8.580 448 1HG GLU 55 2HG GLU 55 -17.907 -15.451 -6.944 449 2HG GLU 55 3HG GLU 55 -18.291 -13.840 -7.558 450 H ILE 56 H ILE 56 -16.877 -12.380 -8.101 451 HA ILE 56 HA ILE 56 -14.206 -11.463 -9.052 452 HB ILE 56 HB ILE 56 -16.518 -9.765 -8.069 453 1HG1 ILE 56 2HG1 ILE 56 -15.158 -9.110 -10.670 454 2HG1 ILE 56 3HG1 ILE 56 -16.191 -10.524 -10.691 455 1HG2 ILE 56 1HG2 ILE 56 -14.107 -9.078 -7.291 456 2HG2 ILE 56 2HG2 ILE 56 -13.849 -8.616 -8.970 457 3HG2 ILE 56 3HG2 ILE 56 -15.143 -7.863 -8.026 458 1HD1 ILE 56 1HD1 ILE 56 -18.108 -9.313 -9.967 459 2HD1 ILE 56 2HD1 ILE 56 -17.146 -7.851 -9.633 460 3HD1 ILE 56 3HD1 ILE 56 -17.361 -8.417 -11.305 461 H LYS 57 H LYS 57 -12.784 -11.562 -7.368 462 HA LYS 57 HA LYS 57 -13.759 -12.422 -4.732 463 1HB LYS 57 2HB LYS 57 -11.461 -12.918 -6.383 464 2HB LYS 57 3HB LYS 57 -10.877 -12.180 -4.906 465 1HG LYS 57 2HG LYS 57 -12.856 -14.486 -4.741 466 2HG LYS 57 3HG LYS 57 -11.194 -14.786 -5.207 467 1HD LYS 57 2HD LYS 57 -11.017 -13.087 -2.913 468 2HD LYS 57 3HD LYS 57 -12.254 -14.287 -2.532 469 1HE LYS 57 2HE LYS 57 -10.682 -16.121 -3.048 470 2HE LYS 57 3HE LYS 57 -9.498 -14.957 -3.677 471 1HZ LYS 57 1HZ LYS 57 -9.707 -14.000 -1.315 472 2HZ LYS 57 2HZ LYS 57 -10.167 -15.539 -0.934 473 3HZ LYS 57 3HZ LYS 57 -8.710 -15.265 -1.652 474 H GLY 58 H GLY 58 -11.566 -9.829 -6.069 475 1HA GLY 58 2HA GLY 58 -12.584 -7.718 -4.537 476 2HA GLY 58 3HA GLY 58 -11.357 -8.526 -3.545 477 H TYR 59 H TYR 59 -10.759 -6.092 -3.981 478 HA TYR 59 HA TYR 59 -8.983 -5.797 -6.313 479 1HB TYR 59 2HB TYR 59 -9.656 -3.979 -3.947 480 2HB TYR 59 3HB TYR 59 -8.343 -3.640 -5.025 481 HD1 TYR 59 1HD TYR 59 -8.914 -3.825 -7.619 482 HD2 TYR 59 2HD TYR 59 -11.882 -3.106 -4.597 483 HE1 TYR 59 1HE TYR 59 -10.446 -2.929 -9.354 484 HE2 TYR 59 2HE TYR 59 -13.428 -2.245 -6.332 485 HH TYR 59 HH TYR 59 -13.726 -1.778 -8.596 486 H GLU 60 H GLU 60 -6.741 -5.996 -6.208 487 HA GLU 60 HA GLU 60 -5.582 -6.770 -3.616 488 1HB GLU 60 2HB GLU 60 -5.710 -8.340 -6.117 489 2HB GLU 60 3HB GLU 60 -4.075 -8.089 -5.485 490 1HG GLU 60 2HG GLU 60 -4.676 -9.026 -3.326 491 2HG GLU 60 3HG GLU 60 -6.395 -9.080 -3.780 492 H TYR 61 H TYR 61 -3.548 -5.896 -3.274 493 HA TYR 61 HA TYR 61 -2.562 -3.878 -5.290 494 1HB TYR 61 2HB TYR 61 -2.241 -3.781 -2.294 495 2HB TYR 61 3HB TYR 61 -1.819 -2.539 -3.479 496 HD1 TYR 61 1HD TYR 61 -4.224 -3.782 -1.266 497 HD2 TYR 61 2HD TYR 61 -3.691 -1.430 -4.752 498 HE1 TYR 61 1HE TYR 61 -6.387 -3.043 -1.006 499 HE2 TYR 61 2HE TYR 61 -5.975 -0.434 -4.450 500 HH TYR 61 HH TYR 61 -8.006 -0.733 -3.425 501 H GLN 62 H GLN 62 -0.742 -4.828 -6.265 502 HA GLN 62 HA GLN 62 0.985 -6.535 -4.571 503 1HB GLN 62 2HB GLN 62 0.362 -7.111 -6.968 504 2HB GLN 62 3HB GLN 62 1.324 -5.703 -7.466 505 1HG GLN 62 2HG GLN 62 3.185 -6.872 -5.931 506 2HG GLN 62 3HG GLN 62 2.211 -8.316 -6.227 507 1HE2 GLN 62 2HE2 GLN 62 1.867 -8.918 -8.571 508 2HE2 GLN 62 1HE2 GLN 62 3.071 -8.404 -9.742 509 H LEU 63 H LEU 63 2.335 -5.448 -3.243 510 HA LEU 63 HA LEU 63 3.931 -3.263 -4.413 511 1HB LEU 63 2HB LEU 63 3.665 -1.933 -2.321 512 2HB LEU 63 3HB LEU 63 2.271 -2.014 -3.393 513 HG LEU 63 HG LEU 63 1.798 -4.126 -1.611 514 1HD1 LEU 63 1HD1 LEU 63 3.714 -2.920 -0.253 515 2HD1 LEU 63 2HD1 LEU 63 2.448 -1.742 0.131 516 3HD1 LEU 63 3HD1 LEU 63 2.230 -3.453 0.563 517 1HD2 LEU 63 1HD2 LEU 63 0.775 -1.263 -1.498 518 2HD2 LEU 63 2HD2 LEU 63 0.189 -2.549 -2.573 519 3HD2 LEU 63 3HD2 LEU 63 0.000 -2.718 -0.815 520 H TYR 64 H TYR 64 5.953 -3.227 -3.854 521 HA TYR 64 HA TYR 64 6.971 -5.629 -2.437 522 1HB TYR 64 2HB TYR 64 7.748 -3.837 -4.688 523 2HB TYR 64 3HB TYR 64 9.042 -4.598 -3.761 524 HD1 TYR 64 1HD TYR 64 8.338 -7.269 -3.219 525 HD2 TYR 64 2HD TYR 64 7.416 -4.963 -6.745 526 HE1 TYR 64 1HE TYR 64 8.265 -9.339 -4.563 527 HE2 TYR 64 2HE TYR 64 7.230 -7.050 -8.055 528 HH TYR 64 HH TYR 64 7.005 -9.376 -7.883 529 H VAL 65 H VAL 65 7.096 -5.155 -0.298 530 HA VAL 65 HA VAL 65 7.963 -2.480 0.584 531 HB VAL 65 HB VAL 65 7.093 -4.906 2.159 532 1HG1 VAL 65 1HG1 VAL 65 8.655 -2.914 3.218 533 2HG1 VAL 65 2HG1 VAL 65 7.062 -2.175 3.393 534 3HG1 VAL 65 3HG1 VAL 65 7.393 -3.761 4.113 535 1HG2 VAL 65 1HG2 VAL 65 5.698 -2.313 1.339 536 2HG2 VAL 65 2HG2 VAL 65 5.249 -3.975 0.907 537 3HG2 VAL 65 3HG2 VAL 65 5.067 -3.416 2.578 538 H TYR 66 H TYR 66 10.065 -2.005 1.238 539 HA TYR 66 HA TYR 66 11.991 -4.119 0.604 540 1HB TYR 66 2HB TYR 66 11.865 -1.757 -0.484 541 2HB TYR 66 3HB TYR 66 12.551 -1.179 0.997 542 HD1 TYR 66 1HD TYR 66 13.291 -4.190 -1.101 543 HD2 TYR 66 2HD TYR 66 14.794 -0.591 0.696 544 HE1 TYR 66 1HE TYR 66 15.569 -4.759 -1.903 545 HE2 TYR 66 2HE TYR 66 17.043 -1.073 -0.233 546 HH TYR 66 HH TYR 66 17.703 -3.955 -2.244 547 H ALA 67 H ALA 67 11.473 -5.110 2.712 548 HA ALA 67 HA ALA 67 12.092 -3.494 5.122 549 1HB ALA 67 1HB ALA 67 9.924 -5.031 4.705 550 2HB ALA 67 2HB ALA 67 10.977 -6.282 5.372 551 3HB ALA 67 3HB ALA 67 10.541 -4.872 6.298 552 H SER 68 H SER 68 13.857 -4.010 6.544 553 HA SER 68 HA SER 68 15.962 -4.614 6.905 554 1HB SER 68 2HB SER 68 14.826 -7.326 6.226 555 2HB SER 68 3HB SER 68 16.459 -7.093 6.858 556 HG SER 68 HG SER 68 14.146 -6.111 8.128 557 H ASP 69 H ASP 69 15.511 -3.601 4.185 558 HA ASP 69 HA ASP 69 16.574 -3.389 2.202 559 1HB ASP 69 2HB ASP 69 18.513 -2.981 3.725 560 2HB ASP 69 3HB ASP 69 18.923 -4.696 3.634 561 H LYS 70 H LYS 70 14.895 -5.740 2.659 562 HA LYS 70 HA LYS 70 15.962 -7.504 0.530 563 1HB LYS 70 2HB LYS 70 14.643 -8.300 3.171 564 2HB LYS 70 3HB LYS 70 14.435 -9.243 1.707 565 1HG LYS 70 2HG LYS 70 16.105 -10.384 2.645 566 2HG LYS 70 3HG LYS 70 17.023 -9.341 1.553 567 1HD LYS 70 2HD LYS 70 17.879 -8.050 3.326 568 2HD LYS 70 3HD LYS 70 16.554 -8.484 4.426 569 1HE LYS 70 2HE LYS 70 17.357 -10.738 4.696 570 2HE LYS 70 3HE LYS 70 18.596 -10.518 3.443 571 1HZ LYS 70 1HZ LYS 70 19.685 -8.963 4.830 572 2HZ LYS 70 2HZ LYS 70 18.497 -9.029 5.971 573 3HZ LYS 70 3HZ LYS 70 19.441 -10.351 5.685 574 H LEU 71 H LEU 71 14.211 -8.413 -0.688 575 HA LEU 71 HA LEU 71 11.999 -6.476 -0.988 576 1HB LEU 71 2HB LEU 71 13.700 -8.110 -2.722 577 2HB LEU 71 3HB LEU 71 12.029 -8.535 -2.990 578 HG LEU 71 HG LEU 71 12.429 -5.598 -2.879 579 1HD1 LEU 71 1HD1 LEU 71 14.613 -6.112 -3.787 580 2HD1 LEU 71 2HD1 LEU 71 13.872 -7.173 -5.019 581 3HD1 LEU 71 3HD1 LEU 71 13.556 -5.420 -5.033 582 1HD2 LEU 71 1HD2 LEU 71 11.408 -7.403 -5.103 583 2HD2 LEU 71 2HD2 LEU 71 10.473 -6.901 -3.676 584 3HD2 LEU 71 3HD2 LEU 71 11.042 -5.682 -4.839 585 H PHE 72 H PHE 72 10.208 -6.911 0.220 586 HA PHE 72 HA PHE 72 9.421 -9.781 0.572 587 1HB PHE 72 2HB PHE 72 8.968 -7.285 2.227 588 2HB PHE 72 3HB PHE 72 8.081 -8.762 2.452 589 HD1 PHE 72 1HD PHE 72 11.114 -7.085 3.174 590 HD2 PHE 72 2HD PHE 72 9.380 -10.983 2.904 591 HE1 PHE 72 1HE PHE 72 12.826 -7.950 4.837 592 HE2 PHE 72 2HE PHE 72 11.084 -11.861 4.489 593 HZ PHE 72 HZ PHE 72 12.816 -10.348 5.426 594 H ARG 73 H ARG 73 7.815 -10.369 -0.730 595 HA ARG 73 HA ARG 73 6.429 -8.420 -2.362 596 1HB ARG 73 2HB ARG 73 7.060 -10.850 -3.016 597 2HB ARG 73 3HB ARG 73 5.713 -11.349 -1.989 598 1HG ARG 73 2HG ARG 73 4.197 -9.884 -3.326 599 2HG ARG 73 3HG ARG 73 5.550 -9.434 -4.373 600 1HD ARG 73 2HD ARG 73 5.734 -11.595 -5.315 601 2HD ARG 73 3HD ARG 73 4.894 -12.366 -3.950 602 HE ARG 73 HE ARG 73 3.098 -10.572 -5.204 603 1HH1 ARG 73 1HH2 ARG 73 4.712 -13.645 -5.864 604 2HH1 ARG 73 2HH2 ARG 73 3.344 -14.352 -6.679 605 1HH2 ARG 73 1HH1 ARG 73 1.285 -11.498 -6.210 606 2HH2 ARG 73 2HH1 ARG 73 1.370 -13.091 -6.911 607 H ALA 74 H ALA 74 4.683 -7.221 -1.477 608 HA ALA 74 HA ALA 74 3.092 -8.621 0.607 609 1HB ALA 74 1HB ALA 74 4.345 -6.895 1.683 610 2HB ALA 74 2HB ALA 74 3.879 -5.713 0.443 611 3HB ALA 74 3HB ALA 74 2.652 -6.373 1.525 612 H ASP 75 H ASP 75 1.006 -9.024 -0.091 613 HA ASP 75 HA ASP 75 -0.039 -7.274 -2.238 614 1HB ASP 75 2HB ASP 75 0.582 -9.871 -2.652 615 2HB ASP 75 3HB ASP 75 -1.092 -10.024 -2.088 616 H ILE 76 H ILE 76 -1.686 -6.067 -1.292 617 HA ILE 76 HA ILE 76 -3.173 -7.380 1.001 618 HB ILE 76 HB ILE 76 -2.885 -4.478 0.235 619 1HG1 ILE 76 2HG1 ILE 76 -1.112 -5.364 1.625 620 2HG1 ILE 76 3HG1 ILE 76 -2.135 -4.250 2.529 621 1HG2 ILE 76 1HG2 ILE 76 -5.231 -4.633 0.711 622 2HG2 ILE 76 2HG2 ILE 76 -4.989 -5.813 1.996 623 3HG2 ILE 76 3HG2 ILE 76 -4.497 -4.134 2.237 624 1HD1 ILE 76 1HD1 ILE 76 -3.388 -6.432 3.333 625 2HD1 ILE 76 2HD1 ILE 76 -1.892 -7.232 2.824 626 3HD1 ILE 76 3HD1 ILE 76 -1.871 -5.970 4.065 627 H SER 77 H SER 77 -5.115 -8.139 0.738 628 HA SER 77 HA SER 77 -6.515 -7.816 -1.860 629 1HB SER 77 2HB SER 77 -6.256 -10.076 -1.265 630 2HB SER 77 3HB SER 77 -6.789 -9.778 0.403 631 HG SER 77 HG SER 77 -8.894 -9.405 -0.461 632 H GLU 78 H GLU 78 -8.811 -7.307 -1.777 633 HA GLU 78 HA GLU 78 -9.823 -6.086 0.716 634 1HB GLU 78 2HB GLU 78 -10.241 -5.224 -2.190 635 2HB GLU 78 3HB GLU 78 -11.102 -4.545 -0.816 636 1HG GLU 78 2HG GLU 78 -8.611 -4.128 0.102 637 2HG GLU 78 3HG GLU 78 -8.244 -4.196 -1.631 638 H ASP 79 H ASP 79 -12.232 -5.836 0.551 639 HA ASP 79 HA ASP 79 -13.390 -8.469 -0.234 640 1HB ASP 79 2HB ASP 79 -13.452 -7.630 2.190 641 2HB ASP 79 3HB ASP 79 -14.606 -6.406 1.649 642 H TYR 80 H TYR 80 -13.962 -8.193 -2.366 643 HA TYR 80 HA TYR 80 -14.829 -6.170 -3.900 644 1HB TYR 80 2HB TYR 80 -14.706 -8.299 -4.887 645 2HB TYR 80 3HB TYR 80 -15.735 -9.030 -3.662 646 HD1 TYR 80 1HD TYR 80 -17.577 -9.989 -4.682 647 HD2 TYR 80 2HD TYR 80 -16.234 -6.118 -6.041 648 HE1 TYR 80 1HE TYR 80 -19.484 -9.873 -6.255 649 HE2 TYR 80 2HE TYR 80 -18.139 -6.014 -7.611 650 HH TYR 80 HH TYR 80 -19.950 -7.140 -8.503 651 H LYS 81 H LYS 81 -16.916 -7.821 -1.573 652 HA LYS 81 HA LYS 81 -19.411 -6.946 -2.079 653 1HB LYS 81 2HB LYS 81 -18.432 -8.370 -0.124 654 2HB LYS 81 3HB LYS 81 -18.177 -6.834 0.709 655 1HG LYS 81 2HG LYS 81 -20.200 -7.896 1.467 656 2HG LYS 81 3HG LYS 81 -20.617 -6.381 0.646 657 1HD LYS 81 2HD LYS 81 -21.433 -7.512 -1.285 658 2HD LYS 81 3HD LYS 81 -20.581 -9.020 -0.877 659 1HE LYS 81 2HE LYS 81 -22.076 -9.381 1.040 660 2HE LYS 81 3HE LYS 81 -22.906 -7.846 0.706 661 1HZ LYS 81 1HZ LYS 81 -24.184 -8.951 -0.660 662 2HZ LYS 81 2HZ LYS 81 -22.898 -9.319 -1.621 663 3HZ LYS 81 3HZ LYS 81 -23.349 -10.354 -0.421 664 H THR 82 H THR 82 -16.940 -5.075 -0.386 665 HA THR 82 HA THR 82 -18.278 -2.537 -1.103 666 HB THR 82 HB THR 82 -17.752 -3.623 1.663 667 HG1 THR 82 1HG THR 82 -19.798 -3.262 0.360 668 1HG2 THR 82 1HG2 THR 82 -16.420 -1.745 2.016 669 2HG2 THR 82 2HG2 THR 82 -17.371 -0.738 0.888 670 3HG2 THR 82 3HG2 THR 82 -18.034 -1.219 2.476 671 H ARG 83 H ARG 83 -15.476 -3.193 0.955 672 HA ARG 83 HA ARG 83 -13.346 -2.787 -0.805 673 1HB ARG 83 2HB ARG 83 -14.912 -0.385 -0.548 674 2HB ARG 83 3HB ARG 83 -13.402 -0.123 0.289 675 1HG ARG 83 2HG ARG 83 -12.101 -0.678 -1.613 676 2HG ARG 83 3HG ARG 83 -13.515 -1.216 -2.545 677 1HD ARG 83 2HD ARG 83 -14.299 0.930 -2.895 678 2HD ARG 83 3HD ARG 83 -13.530 1.580 -1.427 679 HE ARG 83 HE ARG 83 -11.431 0.808 -3.086 680 1HH1 ARG 83 1HH2 ARG 83 -14.097 3.114 -3.193 681 2HH1 ARG 83 2HH2 ARG 83 -13.187 4.364 -3.998 682 1HH2 ARG 83 1HH1 ARG 83 -10.198 2.449 -4.089 683 2HH2 ARG 83 2HH1 ARG 83 -10.927 3.969 -4.527 684 H GLY 84 H GLY 84 -13.856 -4.389 1.334 685 1HA GLY 84 2HA GLY 84 -12.732 -3.360 3.810 686 2HA GLY 84 3HA GLY 84 -13.037 -5.057 3.399 687 H ARG 85 H ARG 85 -10.764 -5.173 4.542 688 HA ARG 85 HA ARG 85 -8.719 -5.231 2.426 689 1HB ARG 85 2HB ARG 85 -7.235 -4.674 4.701 690 2HB ARG 85 3HB ARG 85 -7.524 -3.620 3.326 691 1HG ARG 85 2HG ARG 85 -7.937 -2.387 5.312 692 2HG ARG 85 3HG ARG 85 -9.472 -2.604 4.485 693 1HD ARG 85 2HD ARG 85 -9.135 -4.846 6.286 694 2HD ARG 85 3HD ARG 85 -8.656 -3.425 7.182 695 HE ARG 85 HE ARG 85 -11.318 -4.203 6.345 696 1HH1 ARG 85 1HH2 ARG 85 -9.317 -1.402 7.092 697 2HH1 ARG 85 2HH2 ARG 85 -10.646 -0.399 7.609 698 1HH2 ARG 85 1HH1 ARG 85 -13.086 -2.886 6.910 699 2HH2 ARG 85 2HH1 ARG 85 -12.837 -1.256 7.467 700 H LYS 86 H LYS 86 -7.244 -6.958 2.708 701 HA LYS 86 HA LYS 86 -7.575 -8.659 5.084 702 1HB LYS 86 2HB LYS 86 -8.227 -9.423 2.285 703 2HB LYS 86 3HB LYS 86 -7.158 -10.552 3.118 704 1HG LYS 86 2HG LYS 86 -9.894 -9.659 4.129 705 2HG LYS 86 3HG LYS 86 -9.494 -11.171 3.321 706 1HD LYS 86 2HD LYS 86 -9.388 -11.948 5.425 707 2HD LYS 86 3HD LYS 86 -7.709 -11.462 5.274 708 1HE LYS 86 2HE LYS 86 -7.924 -9.937 6.984 709 2HE LYS 86 3HE LYS 86 -9.403 -9.247 6.309 710 1HZ LYS 86 1HZ LYS 86 -10.634 -11.027 7.246 711 2HZ LYS 86 2HZ LYS 86 -9.273 -11.729 7.856 712 3HZ LYS 86 3HZ LYS 86 -9.767 -10.260 8.417 713 H LEU 87 H LEU 87 -5.833 -9.441 5.900 714 HA LEU 87 HA LEU 87 -3.314 -8.360 5.079 715 1HB LEU 87 2HB LEU 87 -4.250 -8.863 7.411 716 2HB LEU 87 3HB LEU 87 -3.782 -10.545 7.156 717 HG LEU 87 HG LEU 87 -1.886 -8.168 6.902 718 1HD1 LEU 87 1HD1 LEU 87 -2.126 -7.912 9.092 719 2HD1 LEU 87 2HD1 LEU 87 -3.042 -9.420 9.303 720 3HD1 LEU 87 3HD1 LEU 87 -1.282 -9.450 9.316 721 1HD2 LEU 87 1HD2 LEU 87 -1.143 -11.052 7.523 722 2HD2 LEU 87 2HD2 LEU 87 -1.146 -10.412 5.867 723 3HD2 LEU 87 3HD2 LEU 87 -0.085 -9.704 7.065 724 H LEU 88 H LEU 88 -2.764 -9.131 3.092 725 HA LEU 88 HA LEU 88 -1.815 -11.958 2.967 726 1HB LEU 88 2HB LEU 88 -3.340 -10.249 1.032 727 2HB LEU 88 3HB LEU 88 -2.173 -11.395 0.351 728 HG LEU 88 HG LEU 88 -4.361 -12.220 2.293 729 1HD1 LEU 88 1HD1 LEU 88 -5.883 -12.048 0.648 730 2HD1 LEU 88 2HD1 LEU 88 -4.662 -11.295 -0.405 731 3HD1 LEU 88 3HD1 LEU 88 -4.892 -13.039 -0.437 732 1HD2 LEU 88 1HD2 LEU 88 -2.649 -13.760 0.277 733 2HD2 LEU 88 2HD2 LEU 88 -2.472 -13.834 2.040 734 3HD2 LEU 88 3HD2 LEU 88 -3.939 -14.460 1.278 735 H ARG 89 H ARG 89 -0.797 -9.018 3.601 736 HA ARG 89 HA ARG 89 1.352 -8.672 1.766 737 1HB ARG 89 2HB ARG 89 2.272 -7.166 3.567 738 2HB ARG 89 3HB ARG 89 0.716 -6.729 2.862 739 1HG ARG 89 2HG ARG 89 -0.443 -7.573 4.867 740 2HG ARG 89 3HG ARG 89 1.102 -8.132 5.524 741 1HD ARG 89 2HD ARG 89 0.363 -6.014 6.444 742 2HD ARG 89 3HD ARG 89 1.933 -5.848 5.659 743 HE ARG 89 HE ARG 89 -0.610 -4.556 4.928 744 1HH1 ARG 89 1HH2 ARG 89 2.686 -5.208 3.786 745 2HH1 ARG 89 2HH2 ARG 89 2.637 -3.930 2.604 746 1HH2 ARG 89 1HH1 ARG 89 -0.552 -2.812 3.540 747 2HH2 ARG 89 2HH1 ARG 89 0.735 -2.636 2.390 748 H PHE 90 H PHE 90 3.604 -8.596 2.632 749 HA PHE 90 HA PHE 90 5.481 -9.517 3.482 750 1HB PHE 90 2HB PHE 90 3.514 -9.572 5.590 751 2HB PHE 90 3HB PHE 90 4.491 -11.011 5.738 752 HD1 PHE 90 1HD PHE 90 4.383 -7.385 5.917 753 HD2 PHE 90 2HD PHE 90 6.924 -10.858 6.182 754 HE1 PHE 90 1HE PHE 90 6.001 -6.102 7.276 755 HE2 PHE 90 2HE PHE 90 8.651 -9.508 7.347 756 HZ PHE 90 HZ PHE 90 8.237 -7.130 7.831 757 H ASN 91 H ASN 91 5.641 -10.852 1.540 758 HA ASN 91 HA ASN 91 5.562 -13.740 2.202 759 1HB ASN 91 2HB ASN 91 3.559 -12.472 0.749 760 2HB ASN 91 3HB ASN 91 4.650 -13.002 -0.529 761 1HD2 ASN 91 2HD2 ASN 91 4.944 -15.332 -0.847 762 2HD2 ASN 91 1HD2 ASN 91 3.855 -16.453 -0.045 763 H GLY 92 H GLY 92 6.717 -15.048 0.686 764 1HA GLY 92 2HA GLY 92 8.242 -15.205 -1.208 765 2HA GLY 92 3HA GLY 92 8.977 -13.686 -0.721 766 HA PRO 93 HA PRO 93 10.389 -12.810 0.839 767 1HB PRO 93 2HB PRO 93 13.109 -12.817 1.231 768 2HB PRO 93 3HB PRO 93 11.906 -12.877 2.541 769 1HG PRO 93 2HG PRO 93 13.518 -15.142 1.404 770 2HG PRO 93 3HG PRO 93 13.054 -14.834 3.101 771 1HD PRO 93 2HD PRO 93 11.753 -16.603 1.364 772 2HD PRO 93 3HD PRO 93 10.989 -15.882 2.803 773 H VAL 94 H VAL 94 11.692 -11.515 -0.776 774 HA VAL 94 HA VAL 94 12.209 -13.097 -3.243 775 HB VAL 94 HB VAL 94 10.881 -10.440 -2.765 776 1HG1 VAL 94 1HG1 VAL 94 11.021 -9.735 -4.906 777 2HG1 VAL 94 2HG1 VAL 94 12.569 -10.572 -4.886 778 3HG1 VAL 94 3HG1 VAL 94 11.155 -11.356 -5.593 779 1HG2 VAL 94 1HG2 VAL 94 9.956 -12.870 -4.322 780 2HG2 VAL 94 2HG2 VAL 94 9.522 -12.537 -2.636 781 3HG2 VAL 94 3HG2 VAL 94 9.029 -11.418 -3.911 782 HA PRO 95 HA PRO 95 16.279 -11.309 -2.546 783 1HB PRO 95 2HB PRO 95 17.501 -12.117 -4.925 784 2HB PRO 95 3HB PRO 95 17.235 -13.154 -3.495 785 1HG PRO 95 2HG PRO 95 15.654 -12.991 -6.048 786 2HG PRO 95 3HG PRO 95 16.068 -14.435 -5.079 787 1HD PRO 95 2HD PRO 95 13.620 -13.138 -5.018 788 2HD PRO 95 3HD PRO 95 14.268 -14.091 -3.647 789 HA PRO 96 HA PRO 96 16.206 -7.482 -4.688 790 1HB PRO 96 2HB PRO 96 18.865 -6.806 -5.142 791 2HB PRO 96 3HB PRO 96 18.027 -6.709 -3.569 792 1HG PRO 96 2HG PRO 96 19.878 -8.847 -4.587 793 2HG PRO 96 3HG PRO 96 19.745 -8.177 -2.936 794 1HD PRO 96 2HD PRO 96 18.645 -10.577 -3.749 795 2HD PRO 96 3HD PRO 96 17.976 -9.606 -2.410 796 HA PRO 97 HA PRO 97 16.356 -8.277 -9.045 797 1HB PRO 97 2HB PRO 97 16.469 -5.765 -10.169 798 2HB PRO 97 3HB PRO 97 15.018 -6.446 -9.385 799 1HG PRO 97 2HG PRO 97 16.958 -4.430 -8.295 800 2HG PRO 97 3HG PRO 97 15.196 -4.559 -8.031 801 1HD PRO 97 2HD PRO 97 17.194 -5.445 -6.263 802 2HD PRO 97 3HD PRO 97 15.492 -5.976 -6.255 Start of MODEL 7 1 1H MET 1 1H MET 1 -11.027 -0.594 -14.792 2 2H MET 1 2H MET 1 -11.351 -1.869 -15.782 3 3H MET 1 3H MET 1 -9.913 -1.785 -14.984 4 HA MET 1 HA MET 1 -10.944 -2.039 -12.890 5 1HB MET 1 2HB MET 1 -13.379 -2.447 -12.743 6 2HB MET 1 3HB MET 1 -12.988 -0.819 -13.294 7 1HG MET 1 2HG MET 1 -13.781 -1.176 -15.435 8 2HG MET 1 3HG MET 1 -13.446 -2.900 -15.418 9 1HE MET 1 1HE MET 1 -15.487 -4.003 -16.295 10 2HE MET 1 2HE MET 1 -14.997 -4.742 -14.749 11 3HE MET 1 3HE MET 1 -16.717 -4.445 -15.092 12 H GLY 2 H GLY 2 -9.414 -3.702 -14.469 13 1HA GLY 2 2HA GLY 2 -10.414 -6.292 -13.675 14 2HA GLY 2 3HA GLY 2 -10.441 -6.086 -15.438 15 H GLU 3 H GLU 3 -8.373 -5.403 -16.467 16 HA GLU 3 HA GLU 3 -6.082 -6.782 -15.584 17 1HB GLU 3 2HB GLU 3 -6.227 -4.385 -17.482 18 2HB GLU 3 3HB GLU 3 -4.891 -5.520 -17.314 19 1HG GLU 3 2HG GLU 3 -5.881 -6.431 -19.140 20 2HG GLU 3 3HG GLU 3 -6.713 -7.360 -17.893 21 H TRP 4 H TRP 4 -3.981 -5.547 -15.388 22 HA TRP 4 HA TRP 4 -4.155 -4.379 -12.796 23 1HB TRP 4 2HB TRP 4 -1.698 -4.671 -14.577 24 2HB TRP 4 3HB TRP 4 -1.694 -4.278 -12.888 25 HD1 TRP 4 HD TRP 4 -3.061 -7.306 -14.965 26 HE1 TRP 4 1HE TRP 4 -2.497 -9.437 -13.718 27 HE3 TRP 4 3HE TRP 4 -0.803 -5.248 -10.897 28 HZ2 TRP 4 2HZ TRP 4 -1.128 -10.198 -11.266 29 HZ3 TRP 4 3HZ TRP 4 0.231 -6.699 -9.156 30 HH2 TRP 4 HH TRP 4 0.082 -9.174 -9.342 31 H GLU 5 H GLU 5 -3.082 -2.358 -12.136 32 HA GLU 5 HA GLU 5 -2.920 -0.235 -14.153 33 1HB GLU 5 2HB GLU 5 -5.336 -0.566 -12.750 34 2HB GLU 5 3HB GLU 5 -4.494 0.629 -11.790 35 1HG GLU 5 2HG GLU 5 -5.504 2.054 -13.249 36 2HG GLU 5 3HG GLU 5 -4.097 1.726 -14.261 37 H ILE 6 H ILE 6 -2.506 1.849 -12.927 38 HA ILE 6 HA ILE 6 -0.047 1.412 -11.421 39 HB ILE 6 HB ILE 6 0.372 3.794 -11.738 40 1HG1 ILE 6 2HG1 ILE 6 -2.219 3.906 -13.354 41 2HG1 ILE 6 3HG1 ILE 6 -1.994 4.615 -11.749 42 1HG2 ILE 6 1HG2 ILE 6 0.851 3.664 -14.109 43 2HG2 ILE 6 2HG2 ILE 6 1.053 2.061 -13.403 44 3HG2 ILE 6 3HG2 ILE 6 -0.405 2.430 -14.348 45 1HD1 ILE 6 1HD1 ILE 6 -0.147 6.031 -12.635 46 2HD1 ILE 6 2HD1 ILE 6 -0.540 5.450 -14.272 47 3HD1 ILE 6 3HD1 ILE 6 -1.741 6.358 -13.342 48 H ILE 7 H ILE 7 0.341 2.015 -9.395 49 HA ILE 7 HA ILE 7 -1.940 2.508 -7.622 50 HB ILE 7 HB ILE 7 -0.208 0.713 -7.559 51 1HG1 ILE 7 2HG1 ILE 7 -1.635 0.986 -5.663 52 2HG1 ILE 7 3HG1 ILE 7 -0.031 0.354 -5.297 53 1HG2 ILE 7 1HG2 ILE 7 1.885 0.988 -6.687 54 2HG2 ILE 7 2HG2 ILE 7 1.758 2.157 -8.015 55 3HG2 ILE 7 3HG2 ILE 7 1.713 2.709 -6.343 56 1HD1 ILE 7 1HD1 ILE 7 0.674 2.575 -4.436 57 2HD1 ILE 7 2HD1 ILE 7 -0.978 3.176 -4.746 58 3HD1 ILE 7 3HD1 ILE 7 -0.697 1.869 -3.574 59 H ASP 8 H ASP 8 -1.749 4.762 -9.053 60 HA ASP 8 HA ASP 8 -0.014 6.773 -7.712 61 1HB ASP 8 2HB ASP 8 -0.217 6.920 -10.135 62 2HB ASP 8 3HB ASP 8 -1.988 6.966 -10.022 63 H ILE 9 H ILE 9 -0.863 7.816 -5.801 64 HA ILE 9 HA ILE 9 -3.565 8.093 -5.174 65 HB ILE 9 HB ILE 9 -2.126 5.674 -3.958 66 1HG1 ILE 9 2HG1 ILE 9 -3.079 5.002 -6.159 67 2HG1 ILE 9 3HG1 ILE 9 -3.798 4.192 -4.809 68 1HG2 ILE 9 1HG2 ILE 9 -3.468 6.446 -2.201 69 2HG2 ILE 9 2HG2 ILE 9 -4.745 7.029 -3.317 70 3HG2 ILE 9 3HG2 ILE 9 -4.513 5.301 -3.009 71 1HD1 ILE 9 1HD1 ILE 9 -5.819 5.478 -4.901 72 2HD1 ILE 9 2HD1 ILE 9 -5.119 6.655 -6.017 73 3HD1 ILE 9 3HD1 ILE 9 -5.432 4.996 -6.558 74 H GLY 10 H GLY 10 -3.447 8.304 -2.503 75 1HA GLY 10 2HA GLY 10 -0.835 9.207 -1.542 76 2HA GLY 10 3HA GLY 10 -2.193 10.340 -1.421 77 HA PRO 11 HA PRO 11 -3.500 8.543 2.290 78 1HB PRO 11 2HB PRO 11 -6.240 8.089 2.114 79 2HB PRO 11 3HB PRO 11 -5.460 9.677 2.336 80 1HG PRO 11 2HG PRO 11 -6.406 8.435 -0.255 81 2HG PRO 11 3HG PRO 11 -6.670 10.100 0.332 82 1HD PRO 11 2HD PRO 11 -4.720 9.580 -1.441 83 2HD PRO 11 3HD PRO 11 -4.397 10.700 -0.091 84 H PHE 12 H PHE 12 -5.218 6.613 -0.251 85 HA PHE 12 HA PHE 12 -5.521 4.309 1.288 86 1HB PHE 12 2HB PHE 12 -6.217 5.099 -1.240 87 2HB PHE 12 3HB PHE 12 -5.055 3.819 -1.586 88 HD1 PHE 12 1HD PHE 12 -8.455 4.491 -1.168 89 HD2 PHE 12 2HD PHE 12 -5.425 1.588 -0.204 90 HE1 PHE 12 1HE PHE 12 -10.168 2.713 -1.120 91 HE2 PHE 12 2HE PHE 12 -7.164 -0.185 -0.079 92 HZ PHE 12 HZ PHE 12 -9.549 0.399 -0.526 93 H THR 13 H THR 13 -2.838 5.076 -0.963 94 HA THR 13 HA THR 13 -1.457 2.598 -0.557 95 HB THR 13 HB THR 13 -1.088 3.931 -2.534 96 HG1 THR 13 1HG THR 13 0.623 2.614 -1.733 97 1HG2 THR 13 1HG2 THR 13 -1.254 6.226 -1.732 98 2HG2 THR 13 2HG2 THR 13 0.253 6.049 -0.815 99 3HG2 THR 13 3HG2 THR 13 0.266 5.963 -2.581 100 H GLN 14 H GLN 14 -1.196 5.865 1.000 101 HA GLN 14 HA GLN 14 0.871 5.054 2.803 102 1HB GLN 14 2HB GLN 14 -1.116 7.265 2.611 103 2HB GLN 14 3HB GLN 14 -0.672 6.806 4.226 104 1HG GLN 14 2HG GLN 14 0.870 8.531 3.493 105 2HG GLN 14 3HG GLN 14 1.770 7.021 3.592 106 1HE2 GLN 14 2HE2 GLN 14 0.638 9.573 1.489 107 2HE2 GLN 14 1HE2 GLN 14 1.414 8.984 0.030 108 H ASN 15 H ASN 15 -2.639 4.651 2.919 109 HA ASN 15 HA ASN 15 -2.798 3.666 5.521 110 1HB ASN 15 2HB ASN 15 -4.672 4.196 3.595 111 2HB ASN 15 3HB ASN 15 -4.698 2.432 3.561 112 1HD2 ASN 15 2HD2 ASN 15 -6.753 2.146 4.556 113 2HD2 ASN 15 1HD2 ASN 15 -7.092 2.739 6.173 114 H LEU 16 H LEU 16 -2.493 1.661 2.492 115 HA LEU 16 HA LEU 16 -2.020 -0.828 3.750 116 1HB LEU 16 2HB LEU 16 -0.910 0.439 1.187 117 2HB LEU 16 3HB LEU 16 -0.512 -1.192 1.728 118 HG LEU 16 HG LEU 16 -2.981 -1.691 1.811 119 1HD1 LEU 16 1HD1 LEU 16 -4.009 0.495 1.667 120 2HD1 LEU 16 2HD1 LEU 16 -3.187 0.788 0.101 121 3HD1 LEU 16 3HD1 LEU 16 -4.429 -0.471 0.255 122 1HD2 LEU 16 1HD2 LEU 16 -1.716 -1.002 -0.886 123 2HD2 LEU 16 2HD2 LEU 16 -1.438 -2.507 0.022 124 3HD2 LEU 16 3HD2 LEU 16 -3.051 -2.137 -0.621 125 H ALA 17 H ALA 17 0.337 1.773 2.935 126 HA ALA 17 HA ALA 17 2.631 0.386 3.773 127 1HB ALA 17 1HB ALA 17 2.553 2.520 2.488 128 2HB ALA 17 2HB ALA 17 2.088 3.378 3.968 129 3HB ALA 17 3HB ALA 17 3.671 2.587 3.873 130 H LYS 18 H LYS 18 0.496 2.538 5.730 131 HA LYS 18 HA LYS 18 1.938 2.084 8.175 132 1HB LYS 18 2HB LYS 18 -0.467 3.534 7.325 133 2HB LYS 18 3HB LYS 18 -0.843 2.600 8.763 134 1HG LYS 18 2HG LYS 18 1.455 4.581 8.507 135 2HG LYS 18 3HG LYS 18 -0.105 4.854 9.302 136 1HD LYS 18 2HD LYS 18 0.428 2.846 10.800 137 2HD LYS 18 3HD LYS 18 2.081 2.905 10.169 138 1HE LYS 18 2HE LYS 18 2.193 5.339 10.894 139 2HE LYS 18 3HE LYS 18 0.617 5.117 11.677 140 1HZ LYS 18 1HZ LYS 18 1.623 3.383 13.008 141 2HZ LYS 18 2HZ LYS 18 3.086 3.657 12.297 142 3HZ LYS 18 3HZ LYS 18 2.385 4.829 13.214 143 H PHE 19 H PHE 19 -1.015 0.625 6.833 144 HA PHE 19 HA PHE 19 -1.807 -1.084 8.839 145 1HB PHE 19 2HB PHE 19 -2.926 -0.601 6.653 146 2HB PHE 19 3HB PHE 19 -1.746 -1.629 5.849 147 HD1 PHE 19 1HD PHE 19 -3.015 -3.326 4.885 148 HD2 PHE 19 2HD PHE 19 -3.982 -1.997 8.873 149 HE1 PHE 19 1HE PHE 19 -4.823 -5.026 5.025 150 HE2 PHE 19 2HE PHE 19 -5.804 -3.665 8.979 151 HZ PHE 19 HZ PHE 19 -6.164 -5.240 7.088 152 H ALA 20 H ALA 20 0.589 -1.724 6.265 153 HA ALA 20 HA ALA 20 1.386 -4.268 6.855 154 1HB ALA 20 1HB ALA 20 2.224 -2.969 4.957 155 2HB ALA 20 2HB ALA 20 3.243 -2.012 6.060 156 3HB ALA 20 3HB ALA 20 3.537 -3.748 5.863 157 H VAL 21 H VAL 21 2.442 -1.312 8.633 158 HA VAL 21 HA VAL 21 4.270 -2.930 10.316 159 HB VAL 21 HB VAL 21 3.788 0.077 10.215 160 1HG1 VAL 21 1HG1 VAL 21 4.764 -0.527 12.386 161 2HG1 VAL 21 2HG1 VAL 21 5.829 -1.738 11.640 162 3HG1 VAL 21 3HG1 VAL 21 6.140 -0.033 11.385 163 1HG2 VAL 21 1HG2 VAL 21 6.179 -1.406 9.065 164 2HG2 VAL 21 2HG2 VAL 21 4.847 -0.757 8.089 165 3HG2 VAL 21 3HG2 VAL 21 5.868 0.321 9.043 166 H ASP 22 H ASP 22 1.603 -0.576 10.694 167 HA ASP 22 HA ASP 22 1.184 -0.719 13.473 168 1HB ASP 22 2HB ASP 22 0.099 1.000 12.216 169 2HB ASP 22 3HB ASP 22 -0.643 -0.153 11.099 170 H GLU 23 H GLU 23 -0.816 -2.320 11.012 171 HA GLU 23 HA GLU 23 -2.213 -3.951 12.768 172 1HB GLU 23 2HB GLU 23 -2.517 -3.425 10.255 173 2HB GLU 23 3HB GLU 23 -1.476 -4.813 9.955 174 1HG GLU 23 2HG GLU 23 -3.943 -4.915 11.738 175 2HG GLU 23 3HG GLU 23 -4.049 -5.091 9.984 176 H GLU 24 H GLU 24 0.773 -4.773 10.971 177 HA GLU 24 HA GLU 24 1.209 -7.400 11.927 178 1HB GLU 24 2HB GLU 24 2.726 -6.506 10.329 179 2HB GLU 24 3HB GLU 24 3.160 -5.126 11.322 180 1HG GLU 24 2HG GLU 24 3.848 -7.992 12.047 181 2HG GLU 24 3HG GLU 24 4.916 -6.890 11.166 182 H ASN 25 H ASN 25 2.101 -4.267 13.467 183 HA ASN 25 HA ASN 25 3.147 -5.467 15.801 184 1HB ASN 25 2HB ASN 25 2.744 -2.791 14.837 185 2HB ASN 25 3HB ASN 25 1.971 -2.872 16.413 186 1HD2 ASN 25 2HD2 ASN 25 4.992 -4.109 14.803 187 2HD2 ASN 25 1HD2 ASN 25 6.036 -3.652 16.146 188 H LYS 26 H LYS 26 -0.204 -4.223 15.196 189 HA LYS 26 HA LYS 26 -1.070 -4.800 17.780 190 1HB LYS 26 2HB LYS 26 -3.079 -4.092 17.166 191 2HB LYS 26 3HB LYS 26 -2.162 -3.484 15.809 192 1HG LYS 26 2HG LYS 26 -4.100 -4.307 14.879 193 2HG LYS 26 3HG LYS 26 -2.952 -5.594 14.517 194 1HD LYS 26 2HD LYS 26 -3.855 -7.007 16.232 195 2HD LYS 26 3HD LYS 26 -4.701 -5.672 17.010 196 1HE LYS 26 2HE LYS 26 -5.367 -6.737 14.217 197 2HE LYS 26 3HE LYS 26 -6.142 -7.301 15.706 198 1HZ LYS 26 1HZ LYS 26 -6.882 -5.077 16.120 199 2HZ LYS 26 2HZ LYS 26 -6.202 -4.541 14.718 200 3HZ LYS 26 3HZ LYS 26 -7.440 -5.627 14.672 201 H ILE 27 H ILE 27 -0.869 -7.054 15.023 202 HA ILE 27 HA ILE 27 -2.080 -9.198 16.723 203 HB ILE 27 HB ILE 27 -1.115 -9.334 13.848 204 1HG1 ILE 27 2HG1 ILE 27 -3.842 -9.143 15.214 205 2HG1 ILE 27 3HG1 ILE 27 -3.134 -8.038 14.022 206 1HG2 ILE 27 1HG2 ILE 27 -0.844 -11.526 15.041 207 2HG2 ILE 27 2HG2 ILE 27 -2.518 -11.412 15.611 208 3HG2 ILE 27 3HG2 ILE 27 -2.154 -11.606 13.886 209 1HD1 ILE 27 1HD1 ILE 27 -3.286 -9.926 12.331 210 2HD1 ILE 27 2HD1 ILE 27 -4.195 -10.859 13.551 211 3HD1 ILE 27 3HD1 ILE 27 -4.849 -9.342 12.952 212 H GLY 28 H GLY 28 1.032 -8.770 15.004 213 1HA GLY 28 2HA GLY 28 3.145 -9.438 15.630 214 2HA GLY 28 3HA GLY 28 2.507 -10.214 17.084 215 H GLN 29 H GLN 29 1.938 -10.610 13.539 216 HA GLN 29 HA GLN 29 2.141 -13.558 13.766 217 1HB GLN 29 2HB GLN 29 1.848 -11.730 11.344 218 2HB GLN 29 3HB GLN 29 1.888 -13.499 11.276 219 1HG GLN 29 2HG GLN 29 -0.196 -11.842 12.743 220 2HG GLN 29 3HG GLN 29 -0.383 -12.539 11.137 221 1HE2 GLN 29 2HE2 GLN 29 0.068 -13.443 14.596 222 2HE2 GLN 29 1HE2 GLN 29 -0.649 -15.030 14.396 223 H TYR 30 H TYR 30 3.869 -11.289 11.636 224 HA TYR 30 HA TYR 30 6.164 -13.169 11.578 225 1HB TYR 30 2HB TYR 30 6.775 -11.419 9.654 226 2HB TYR 30 3HB TYR 30 5.745 -12.815 9.423 227 HD1 TYR 30 1HD TYR 30 5.776 -9.098 9.525 228 HD2 TYR 30 2HD TYR 30 3.364 -12.654 9.062 229 HE1 TYR 30 1HE TYR 30 3.896 -7.728 8.767 230 HE2 TYR 30 2HE TYR 30 1.511 -11.268 8.208 231 HH TYR 30 HH TYR 30 0.826 -9.165 7.683 232 H GLY 31 H GLY 31 5.542 -9.675 12.016 233 1HA GLY 31 2HA GLY 31 6.793 -8.387 13.684 234 2HA GLY 31 3HA GLY 31 8.188 -9.420 13.426 235 H ARG 32 H ARG 32 7.408 -6.392 12.860 236 HA ARG 32 HA ARG 32 8.418 -6.270 10.108 237 1HB ARG 32 2HB ARG 32 6.545 -4.699 11.403 238 2HB ARG 32 3HB ARG 32 7.993 -3.690 11.491 239 1HG ARG 32 2HG ARG 32 7.034 -5.055 8.949 240 2HG ARG 32 3HG ARG 32 6.360 -3.537 9.466 241 1HD ARG 32 2HD ARG 32 8.337 -2.314 9.130 242 2HD ARG 32 3HD ARG 32 9.365 -3.719 9.093 243 HE ARG 32 HE ARG 32 7.868 -2.613 6.878 244 1HH1 ARG 32 1HH2 ARG 32 9.058 -5.657 8.200 245 2HH1 ARG 32 2HH2 ARG 32 9.226 -6.432 6.648 246 1HH2 ARG 32 1HH1 ARG 32 7.935 -3.696 4.872 247 2HH2 ARG 32 2HH1 ARG 32 8.556 -5.320 4.755 248 H LEU 33 H LEU 33 10.415 -5.314 9.689 249 HA LEU 33 HA LEU 33 12.392 -5.259 11.860 250 1HB LEU 33 2HB LEU 33 12.758 -4.643 8.909 251 2HB LEU 33 3HB LEU 33 13.985 -4.992 10.136 252 HG LEU 33 HG LEU 33 12.380 -7.252 10.342 253 1HD1 LEU 33 1HD1 LEU 33 11.069 -6.564 8.295 254 2HD1 LEU 33 2HD1 LEU 33 12.571 -6.643 7.359 255 3HD1 LEU 33 3HD1 LEU 33 11.909 -8.098 8.114 256 1HD2 LEU 33 1HD2 LEU 33 14.841 -6.674 8.711 257 2HD2 LEU 33 2HD2 LEU 33 14.717 -7.465 10.292 258 3HD2 LEU 33 3HD2 LEU 33 14.156 -8.318 8.840 259 H THR 34 H THR 34 13.533 -2.820 10.050 260 HA THR 34 HA THR 34 12.437 -0.907 12.065 261 HB THR 34 HB THR 34 14.845 -1.037 11.756 262 HG1 THR 34 1HG THR 34 14.246 0.861 12.524 263 1HG2 THR 34 1HG2 THR 34 15.028 -1.468 9.339 264 2HG2 THR 34 2HG2 THR 34 14.390 0.163 9.000 265 3HG2 THR 34 3HG2 THR 34 15.945 -0.038 9.823 266 H PHE 35 H PHE 35 11.770 1.473 11.174 267 HA PHE 35 HA PHE 35 9.837 1.099 9.067 268 1HB PHE 35 2HB PHE 35 10.683 3.296 10.912 269 2HB PHE 35 3HB PHE 35 10.021 3.776 9.371 270 HD1 PHE 35 1HD PHE 35 9.162 2.118 12.567 271 HD2 PHE 35 2HD PHE 35 7.753 3.349 8.678 272 HE1 PHE 35 1HE PHE 35 6.816 1.989 13.365 273 HE2 PHE 35 2HE PHE 35 5.415 3.190 9.473 274 HZ PHE 35 HZ PHE 35 4.942 2.526 11.825 275 H ASN 36 H ASN 36 11.436 0.193 7.479 276 HA ASN 36 HA ASN 36 13.292 2.090 6.302 277 1HB ASN 36 2HB ASN 36 12.730 -0.102 4.503 278 2HB ASN 36 3HB ASN 36 14.169 0.320 5.397 279 1HD2 ASN 36 2HD2 ASN 36 11.081 -1.511 5.674 280 2HD2 ASN 36 1HD2 ASN 36 11.492 -2.265 7.213 281 H LYS 37 H LYS 37 10.946 0.537 4.099 282 HA LYS 37 HA LYS 37 9.055 2.508 3.776 283 1HB LYS 37 2HB LYS 37 9.860 3.712 1.714 284 2HB LYS 37 3HB LYS 37 10.617 4.201 3.185 285 1HG LYS 37 2HG LYS 37 12.221 2.073 1.984 286 2HG LYS 37 3HG LYS 37 11.823 3.294 0.768 287 1HD LYS 37 2HD LYS 37 12.617 5.090 2.335 288 2HD LYS 37 3HD LYS 37 13.104 3.840 3.488 289 1HE LYS 37 2HE LYS 37 14.656 2.891 1.758 290 2HE LYS 37 3HE LYS 37 14.197 4.214 0.666 291 1HZ LYS 37 1HZ LYS 37 15.020 5.755 2.307 292 2HZ LYS 37 2HZ LYS 37 15.471 4.516 3.295 293 3HZ LYS 37 3HZ LYS 37 16.202 4.710 1.831 294 H VAL 38 H VAL 38 8.455 2.447 1.155 295 HA VAL 38 HA VAL 38 8.532 -0.389 0.323 296 HB VAL 38 HB VAL 38 6.322 0.262 1.208 297 1HG1 VAL 38 1HG1 VAL 38 6.398 2.717 0.723 298 2HG1 VAL 38 2HG1 VAL 38 6.212 2.358 -1.008 299 3HG1 VAL 38 3HG1 VAL 38 4.921 1.955 0.132 300 1HG2 VAL 38 1HG2 VAL 38 6.348 -0.177 -1.793 301 2HG2 VAL 38 2HG2 VAL 38 6.200 -1.393 -0.517 302 3HG2 VAL 38 3HG2 VAL 38 4.902 -0.227 -0.788 303 H ILE 39 H ILE 39 8.991 -0.772 -1.899 304 HA ILE 39 HA ILE 39 10.228 1.555 -3.217 305 HB ILE 39 HB ILE 39 10.740 0.080 -5.021 306 1HG1 ILE 39 2HG1 ILE 39 9.846 -2.417 -3.694 307 2HG1 ILE 39 3HG1 ILE 39 8.526 -1.451 -4.365 308 1HG2 ILE 39 1HG2 ILE 39 12.247 0.156 -3.077 309 2HG2 ILE 39 2HG2 ILE 39 11.386 -1.209 -2.340 310 3HG2 ILE 39 3HG2 ILE 39 12.274 -1.435 -3.858 311 1HD1 ILE 39 1HD1 ILE 39 9.655 -1.368 -6.542 312 2HD1 ILE 39 2HD1 ILE 39 11.002 -2.337 -5.885 313 3HD1 ILE 39 3HD1 ILE 39 9.376 -3.043 -6.027 314 H ARG 40 H ARG 40 9.543 2.053 -5.568 315 HA ARG 40 HA ARG 40 6.783 1.733 -6.212 316 1HB ARG 40 2HB ARG 40 7.810 4.157 -4.798 317 2HB ARG 40 3HB ARG 40 6.893 4.527 -6.245 318 1HG ARG 40 2HG ARG 40 4.890 3.844 -5.384 319 2HG ARG 40 3HG ARG 40 5.587 2.579 -4.367 320 1HD ARG 40 2HD ARG 40 6.452 4.195 -2.793 321 2HD ARG 40 3HD ARG 40 5.909 5.551 -3.816 322 HE ARG 40 HE ARG 40 3.632 3.993 -3.239 323 1HH1 ARG 40 1HH2 ARG 40 6.003 5.946 -1.507 324 2HH1 ARG 40 2HH2 ARG 40 4.888 6.462 -0.265 325 1HH2 ARG 40 1HH1 ARG 40 2.152 4.613 -1.536 326 2HH2 ARG 40 2HH1 ARG 40 2.667 5.764 -0.328 327 HA PRO 41 HA PRO 41 5.525 3.267 -7.842 328 1HB PRO 41 2HB PRO 41 4.709 2.737 -10.377 329 2HB PRO 41 3HB PRO 41 5.461 4.298 -9.932 330 1HG PRO 41 2HG PRO 41 6.819 1.887 -11.173 331 2HG PRO 41 3HG PRO 41 6.898 3.585 -11.727 332 1HD PRO 41 2HD PRO 41 8.830 2.477 -10.127 333 2HD PRO 41 3HD PRO 41 8.339 4.182 -9.927 334 H CYS 42 H CYS 42 3.831 1.680 -7.799 335 HA CYS 42 HA CYS 42 4.743 -1.180 -8.082 336 1HB CYS 42 2HB CYS 42 3.590 0.226 -5.680 337 2HB CYS 42 3HB CYS 42 3.182 -1.474 -5.960 338 HG CYS 42 HG CYS 42 5.417 -0.534 -4.344 339 H MET 43 H MET 43 2.377 -2.538 -7.710 340 HA MET 43 HA MET 43 0.721 -1.385 -9.928 341 1HB MET 43 2HB MET 43 2.642 -3.219 -10.410 342 2HB MET 43 3HB MET 43 1.374 -4.310 -9.855 343 1HG MET 43 2HG MET 43 0.851 -4.237 -12.097 344 2HG MET 43 3HG MET 43 -0.095 -2.850 -11.590 345 1HE MET 43 1HE MET 43 3.735 -3.586 -12.439 346 2HE MET 43 2HE MET 43 2.730 -4.287 -13.729 347 3HE MET 43 3HE MET 43 3.779 -2.897 -14.076 348 H LYS 44 H LYS 44 -1.456 -2.180 -10.045 349 HA LYS 44 HA LYS 44 -2.344 -3.954 -7.835 350 1HB LYS 44 2HB LYS 44 -4.171 -2.544 -7.266 351 2HB LYS 44 3HB LYS 44 -2.700 -1.576 -7.114 352 1HG LYS 44 2HG LYS 44 -3.203 -0.294 -9.065 353 2HG LYS 44 3HG LYS 44 -4.397 -1.466 -9.644 354 1HD LYS 44 2HD LYS 44 -5.771 -1.018 -7.560 355 2HD LYS 44 3HD LYS 44 -4.686 0.351 -7.237 356 1HE LYS 44 2HE LYS 44 -5.333 1.390 -9.376 357 2HE LYS 44 3HE LYS 44 -6.276 -0.048 -9.822 358 1HZ LYS 44 1HZ LYS 44 -7.694 0.358 -7.955 359 2HZ LYS 44 2HZ LYS 44 -6.858 1.723 -7.562 360 3HZ LYS 44 3HZ LYS 44 -7.685 1.641 -8.987 361 H LYS 45 H LYS 45 -4.674 -4.680 -8.271 362 HA LYS 45 HA LYS 45 -5.754 -4.373 -10.895 363 1HB LYS 45 2HB LYS 45 -5.532 -6.513 -11.813 364 2HB LYS 45 3HB LYS 45 -3.911 -6.095 -11.288 365 1HG LYS 45 2HG LYS 45 -5.794 -8.018 -9.825 366 2HG LYS 45 3HG LYS 45 -4.470 -8.431 -10.893 367 1HD LYS 45 2HD LYS 45 -2.888 -7.250 -9.331 368 2HD LYS 45 3HD LYS 45 -4.232 -7.020 -8.200 369 1HE LYS 45 2HE LYS 45 -4.565 -9.422 -7.999 370 2HE LYS 45 3HE LYS 45 -3.389 -9.756 -9.278 371 1HZ LYS 45 1HZ LYS 45 -1.663 -8.966 -7.928 372 2HZ LYS 45 2HZ LYS 45 -2.690 -8.454 -6.751 373 3HZ LYS 45 3HZ LYS 45 -2.531 -10.062 -7.053 374 H THR 46 H THR 46 -7.545 -6.486 -10.976 375 HA THR 46 HA THR 46 -8.617 -6.714 -8.232 376 HB THR 46 HB THR 46 -10.000 -5.334 -10.105 377 HG1 THR 46 1HG THR 46 -10.848 -6.999 -8.009 378 1HG2 THR 46 1HG2 THR 46 -10.205 -7.318 -11.623 379 2HG2 THR 46 2HG2 THR 46 -11.133 -8.145 -10.347 380 3HG2 THR 46 3HG2 THR 46 -11.757 -6.652 -11.072 381 H ILE 47 H ILE 47 -8.966 -8.760 -7.498 382 HA ILE 47 HA ILE 47 -7.874 -10.838 -9.271 383 HB ILE 47 HB ILE 47 -6.831 -10.689 -7.147 384 1HG1 ILE 47 2HG1 ILE 47 -8.645 -13.159 -7.129 385 2HG1 ILE 47 3HG1 ILE 47 -7.316 -12.955 -8.273 386 1HG2 ILE 47 1HG2 ILE 47 -8.619 -9.698 -5.815 387 2HG2 ILE 47 2HG2 ILE 47 -9.569 -11.202 -5.939 388 3HG2 ILE 47 3HG2 ILE 47 -8.037 -11.166 -5.041 389 1HD1 ILE 47 1HD1 ILE 47 -5.719 -12.785 -6.350 390 2HD1 ILE 47 2HD1 ILE 47 -7.060 -13.112 -5.230 391 3HD1 ILE 47 3HD1 ILE 47 -6.584 -14.332 -6.418 392 H TYR 48 H TYR 48 -8.932 -12.504 -9.978 393 HA TYR 48 HA TYR 48 -11.805 -12.972 -9.359 394 1HB TYR 48 2HB TYR 48 -10.012 -13.842 -11.649 395 2HB TYR 48 3HB TYR 48 -11.708 -14.245 -11.546 396 HD1 TYR 48 1HD TYR 48 -12.823 -11.609 -10.729 397 HD2 TYR 48 2HD TYR 48 -9.647 -12.427 -13.492 398 HE1 TYR 48 1HE TYR 48 -13.157 -9.364 -11.759 399 HE2 TYR 48 2HE TYR 48 -9.994 -10.214 -14.551 400 HH TYR 48 HH TYR 48 -12.479 -7.907 -13.427 401 H GLU 49 H GLU 49 -12.438 -15.135 -8.951 402 HA GLU 49 HA GLU 49 -12.325 -17.018 -7.805 403 1HB GLU 49 2HB GLU 49 -11.242 -18.759 -9.064 404 2HB GLU 49 3HB GLU 49 -12.171 -17.668 -10.092 405 1HG GLU 49 2HG GLU 49 -10.137 -16.621 -10.939 406 2HG GLU 49 3HG GLU 49 -9.132 -17.527 -9.799 407 H ASN 50 H ASN 50 -11.236 -15.575 -6.087 408 HA ASN 50 HA ASN 50 -8.499 -16.166 -5.410 409 1HB ASN 50 2HB ASN 50 -9.531 -14.182 -4.562 410 2HB ASN 50 3HB ASN 50 -10.816 -15.114 -3.756 411 1HD2 ASN 50 2HD2 ASN 50 -7.170 -15.007 -3.846 412 2HD2 ASN 50 1HD2 ASN 50 -7.015 -15.192 -2.109 413 H GLU 51 H GLU 51 -7.684 -17.467 -3.671 414 HA GLU 51 HA GLU 51 -8.446 -20.087 -3.903 415 1HB GLU 51 2HB GLU 51 -6.193 -19.279 -3.223 416 2HB GLU 51 3HB GLU 51 -6.839 -18.913 -1.609 417 1HG GLU 51 2HG GLU 51 -7.525 -21.363 -1.419 418 2HG GLU 51 3HG GLU 51 -6.715 -21.652 -2.964 419 H GLY 52 H GLY 52 -10.763 -20.090 -3.479 420 1HA GLY 52 2HA GLY 52 -11.097 -21.658 -1.140 421 2HA GLY 52 3HA GLY 52 -11.848 -20.049 -0.884 422 H PHE 53 H PHE 53 -12.684 -19.542 -3.515 423 HA PHE 53 HA PHE 53 -14.156 -21.749 -4.592 424 1HB PHE 53 2HB PHE 53 -15.555 -20.806 -2.559 425 2HB PHE 53 3HB PHE 53 -15.848 -19.419 -3.597 426 HD1 PHE 53 1HD PHE 53 -17.468 -19.638 -5.449 427 HD2 PHE 53 2HD PHE 53 -16.206 -23.105 -3.209 428 HE1 PHE 53 1HE PHE 53 -19.259 -20.982 -6.512 429 HE2 PHE 53 2HE PHE 53 -18.008 -24.441 -4.266 430 HZ PHE 53 HZ PHE 53 -19.537 -23.384 -5.918 431 H ARG 54 H ARG 54 -15.149 -20.971 -6.668 432 HA ARG 54 HA ARG 54 -13.244 -19.194 -7.901 433 1HB ARG 54 2HB ARG 54 -14.323 -19.860 -9.985 434 2HB ARG 54 3HB ARG 54 -13.991 -21.253 -8.966 435 1HG ARG 54 2HG ARG 54 -16.167 -21.853 -8.932 436 2HG ARG 54 3HG ARG 54 -16.636 -20.284 -8.283 437 1HD ARG 54 2HD ARG 54 -17.842 -20.228 -10.230 438 2HD ARG 54 3HD ARG 54 -16.386 -19.429 -10.766 439 HE ARG 54 HE ARG 54 -15.893 -21.201 -12.155 440 1HH1 ARG 54 1HH2 ARG 54 -18.308 -22.231 -9.808 441 2HH1 ARG 54 2HH2 ARG 54 -18.830 -23.626 -10.714 442 1HH2 ARG 54 1HH1 ARG 54 -16.540 -23.037 -13.366 443 2HH2 ARG 54 2HH1 ARG 54 -17.777 -24.106 -12.766 444 H GLU 55 H GLU 55 -14.348 -17.499 -6.180 445 HA GLU 55 HA GLU 55 -16.504 -15.987 -7.588 446 1HB GLU 55 2HB GLU 55 -16.956 -17.112 -5.336 447 2HB GLU 55 3HB GLU 55 -15.880 -15.907 -4.614 448 1HG GLU 55 2HG GLU 55 -17.386 -14.105 -5.341 449 2HG GLU 55 3HG GLU 55 -18.337 -15.246 -6.315 450 H ILE 56 H ILE 56 -16.409 -13.669 -7.411 451 HA ILE 56 HA ILE 56 -13.750 -12.583 -7.851 452 HB ILE 56 HB ILE 56 -16.496 -11.260 -7.583 453 1HG1 ILE 56 2HG1 ILE 56 -15.540 -11.128 -10.265 454 2HG1 ILE 56 3HG1 ILE 56 -15.274 -12.795 -9.761 455 1HG2 ILE 56 1HG2 ILE 56 -14.749 -9.619 -7.150 456 2HG2 ILE 56 2HG2 ILE 56 -13.877 -10.113 -8.619 457 3HG2 ILE 56 3HG2 ILE 56 -15.471 -9.331 -8.733 458 1HD1 ILE 56 1HD1 ILE 56 -17.667 -12.940 -9.048 459 2HD1 ILE 56 2HD1 ILE 56 -17.904 -11.257 -9.571 460 3HD1 ILE 56 3HD1 ILE 56 -17.502 -12.509 -10.762 461 H LYS 57 H LYS 57 -12.419 -11.993 -6.167 462 HA LYS 57 HA LYS 57 -13.570 -11.824 -3.494 463 1HB LYS 57 2HB LYS 57 -11.206 -12.772 -4.412 464 2HB LYS 57 3HB LYS 57 -10.684 -11.187 -3.836 465 1HG LYS 57 2HG LYS 57 -12.142 -13.342 -2.240 466 2HG LYS 57 3HG LYS 57 -10.442 -12.868 -2.106 467 1HD LYS 57 2HD LYS 57 -11.121 -10.606 -1.312 468 2HD LYS 57 3HD LYS 57 -12.822 -11.075 -1.423 469 1HE LYS 57 2HE LYS 57 -12.114 -11.273 0.871 470 2HE LYS 57 3HE LYS 57 -12.482 -12.878 0.225 471 1HZ LYS 57 1HZ LYS 57 -10.142 -13.241 -0.059 472 2HZ LYS 57 2HZ LYS 57 -9.790 -11.729 0.497 473 3HZ LYS 57 3HZ LYS 57 -10.466 -12.846 1.504 474 H GLY 58 H GLY 58 -11.651 -9.635 -5.664 475 1HA GLY 58 2HA GLY 58 -12.930 -7.274 -5.472 476 2HA GLY 58 3HA GLY 58 -12.151 -7.353 -3.884 477 H TYR 59 H TYR 59 -10.834 -5.621 -4.324 478 HA TYR 59 HA TYR 59 -9.053 -5.567 -6.631 479 1HB TYR 59 2HB TYR 59 -9.596 -3.711 -4.296 480 2HB TYR 59 3HB TYR 59 -8.195 -3.501 -5.333 481 HD1 TYR 59 1HD TYR 59 -8.458 -3.273 -7.763 482 HD2 TYR 59 2HD TYR 59 -11.833 -3.026 -5.133 483 HE1 TYR 59 1HE TYR 59 -9.815 -2.360 -9.633 484 HE2 TYR 59 2HE TYR 59 -13.210 -2.110 -6.991 485 HH TYR 59 HH TYR 59 -11.924 -1.697 -10.298 486 H GLU 60 H GLU 60 -6.677 -5.581 -6.423 487 HA GLU 60 HA GLU 60 -5.653 -6.314 -3.801 488 1HB GLU 60 2HB GLU 60 -5.595 -8.088 -6.184 489 2HB GLU 60 3HB GLU 60 -4.005 -7.659 -5.534 490 1HG GLU 60 2HG GLU 60 -4.739 -8.372 -3.265 491 2HG GLU 60 3HG GLU 60 -6.270 -8.951 -3.973 492 H TYR 61 H TYR 61 -3.745 -5.317 -3.417 493 HA TYR 61 HA TYR 61 -2.512 -3.601 -5.555 494 1HB TYR 61 2HB TYR 61 -2.451 -3.148 -2.563 495 2HB TYR 61 3HB TYR 61 -1.850 -2.076 -3.818 496 HD1 TYR 61 1HD TYR 61 -4.810 -3.327 -2.017 497 HD2 TYR 61 2HD TYR 61 -3.428 -0.631 -5.082 498 HE1 TYR 61 1HE TYR 61 -6.961 -2.148 -1.954 499 HE2 TYR 61 2HE TYR 61 -5.651 0.490 -5.082 500 HH TYR 61 HH TYR 61 -8.370 -0.672 -3.088 501 H GLN 62 H GLN 62 -0.561 -4.498 -6.135 502 HA GLN 62 HA GLN 62 0.818 -6.319 -4.213 503 1HB GLN 62 2HB GLN 62 0.193 -7.332 -6.377 504 2HB GLN 62 3HB GLN 62 1.117 -6.073 -7.222 505 1HG GLN 62 2HG GLN 62 3.194 -6.791 -6.228 506 2HG GLN 62 3HG GLN 62 2.375 -7.892 -5.119 507 1HE2 GLN 62 2HE2 GLN 62 0.962 -9.622 -6.250 508 2HE2 GLN 62 1HE2 GLN 62 1.745 -10.403 -7.622 509 H LEU 63 H LEU 63 2.185 -5.113 -3.030 510 HA LEU 63 HA LEU 63 4.025 -3.313 -4.495 511 1HB LEU 63 2HB LEU 63 3.945 -1.732 -2.570 512 2HB LEU 63 3HB LEU 63 2.503 -1.820 -3.574 513 HG LEU 63 HG LEU 63 1.561 -3.452 -1.739 514 1HD1 LEU 63 1HD1 LEU 63 3.807 -3.488 -0.468 515 2HD1 LEU 63 2HD1 LEU 63 3.467 -1.813 -0.023 516 3HD1 LEU 63 3HD1 LEU 63 2.362 -3.100 0.484 517 1HD2 LEU 63 1HD2 LEU 63 1.870 -0.450 -1.378 518 2HD2 LEU 63 2HD2 LEU 63 0.586 -1.303 -2.264 519 3HD2 LEU 63 3HD2 LEU 63 0.711 -1.470 -0.502 520 H TYR 64 H TYR 64 6.110 -3.195 -3.667 521 HA TYR 64 HA TYR 64 6.888 -5.638 -2.153 522 1HB TYR 64 2HB TYR 64 8.162 -3.925 -4.296 523 2HB TYR 64 3HB TYR 64 9.010 -5.165 -3.385 524 HD1 TYR 64 1HD TYR 64 8.711 -7.519 -3.898 525 HD2 TYR 64 2HD TYR 64 6.264 -4.545 -5.838 526 HE1 TYR 64 1HE TYR 64 7.788 -9.255 -5.425 527 HE2 TYR 64 2HE TYR 64 5.317 -6.285 -7.314 528 HH TYR 64 HH TYR 64 5.123 -8.548 -7.683 529 H VAL 65 H VAL 65 7.108 -5.068 -0.022 530 HA VAL 65 HA VAL 65 7.892 -2.314 0.597 531 HB VAL 65 HB VAL 65 5.979 -3.215 1.678 532 1HG1 VAL 65 1HG1 VAL 65 6.356 -5.509 1.941 533 2HG1 VAL 65 2HG1 VAL 65 7.839 -5.257 2.872 534 3HG1 VAL 65 3HG1 VAL 65 6.252 -4.832 3.564 535 1HG2 VAL 65 1HG2 VAL 65 8.326 -2.456 3.454 536 2HG2 VAL 65 2HG2 VAL 65 7.172 -1.384 2.665 537 3HG2 VAL 65 3HG2 VAL 65 6.612 -2.444 3.957 538 H TYR 66 H TYR 66 9.845 -1.727 1.504 539 HA TYR 66 HA TYR 66 12.030 -3.647 1.019 540 1HB TYR 66 2HB TYR 66 11.878 -1.264 0.033 541 2HB TYR 66 3HB TYR 66 12.145 -0.664 1.657 542 HD1 TYR 66 1HD TYR 66 13.540 -3.153 -0.684 543 HD2 TYR 66 2HD TYR 66 14.394 0.038 2.040 544 HE1 TYR 66 1HE TYR 66 15.952 -3.221 -1.374 545 HE2 TYR 66 2HE TYR 66 16.770 0.019 1.331 546 HH TYR 66 HH TYR 66 18.448 -1.600 0.189 547 H ALA 67 H ALA 67 12.974 -4.635 2.815 548 HA ALA 67 HA ALA 67 13.219 -3.209 5.311 549 1HB ALA 67 1HB ALA 67 10.830 -3.935 5.422 550 2HB ALA 67 2HB ALA 67 11.359 -5.625 5.311 551 3HB ALA 67 3HB ALA 67 11.828 -4.614 6.703 552 H SER 68 H SER 68 14.662 -4.329 6.809 553 HA SER 68 HA SER 68 16.553 -5.575 7.126 554 1HB SER 68 2HB SER 68 14.672 -7.463 6.701 555 2HB SER 68 3HB SER 68 15.628 -7.769 5.281 556 HG SER 68 HG SER 68 16.657 -7.704 7.933 557 H ASP 69 H ASP 69 16.085 -3.967 4.433 558 HA ASP 69 HA ASP 69 17.047 -3.502 2.480 559 1HB ASP 69 2HB ASP 69 19.104 -3.384 3.911 560 2HB ASP 69 3HB ASP 69 19.461 -5.054 3.456 561 H LYS 70 H LYS 70 15.497 -6.028 2.938 562 HA LYS 70 HA LYS 70 16.130 -7.406 0.372 563 1HB LYS 70 2HB LYS 70 14.882 -8.463 2.953 564 2HB LYS 70 3HB LYS 70 14.593 -9.208 1.390 565 1HG LYS 70 2HG LYS 70 16.239 -10.474 2.455 566 2HG LYS 70 3HG LYS 70 17.009 -9.650 1.093 567 1HD LYS 70 2HD LYS 70 18.132 -8.099 2.544 568 2HD LYS 70 3HD LYS 70 17.127 -8.547 3.924 569 1HE LYS 70 2HE LYS 70 19.074 -10.472 2.609 570 2HE LYS 70 3HE LYS 70 19.460 -9.440 3.999 571 1HZ LYS 70 1HZ LYS 70 17.697 -10.465 5.215 572 2HZ LYS 70 2HZ LYS 70 17.341 -11.465 3.954 573 3HZ LYS 70 3HZ LYS 70 18.795 -11.587 4.719 574 H LEU 71 H LEU 71 13.977 -8.168 -0.593 575 HA LEU 71 HA LEU 71 11.896 -6.051 -0.267 576 1HB LEU 71 2HB LEU 71 12.731 -7.830 -2.567 577 2HB LEU 71 3HB LEU 71 11.114 -7.127 -2.497 578 HG LEU 71 HG LEU 71 12.728 -5.888 -3.897 579 1HD1 LEU 71 1HD1 LEU 71 11.130 -4.412 -3.547 580 2HD1 LEU 71 2HD1 LEU 71 11.035 -4.686 -1.801 581 3HD1 LEU 71 3HD1 LEU 71 12.266 -3.602 -2.478 582 1HD2 LEU 71 1HD2 LEU 71 14.124 -5.098 -1.333 583 2HD2 LEU 71 2HD2 LEU 71 14.745 -6.248 -2.512 584 3HD2 LEU 71 3HD2 LEU 71 14.490 -4.549 -2.976 585 H PHE 72 H PHE 72 10.170 -6.680 0.875 586 HA PHE 72 HA PHE 72 9.456 -9.585 1.026 587 1HB PHE 72 2HB PHE 72 9.026 -7.223 2.871 588 2HB PHE 72 3HB PHE 72 8.098 -8.686 2.996 589 HD1 PHE 72 1HD PHE 72 11.355 -7.219 3.465 590 HD2 PHE 72 2HD PHE 72 9.134 -10.864 3.691 591 HE1 PHE 72 1HE PHE 72 13.208 -8.239 4.832 592 HE2 PHE 72 2HE PHE 72 10.943 -11.894 5.045 593 HZ PHE 72 HZ PHE 72 12.975 -10.581 5.622 594 H ARG 73 H ARG 73 7.684 -10.111 -0.170 595 HA ARG 73 HA ARG 73 6.480 -8.089 -1.833 596 1HB ARG 73 2HB ARG 73 6.938 -10.571 -2.393 597 2HB ARG 73 3HB ARG 73 5.510 -10.940 -1.410 598 1HG ARG 73 2HG ARG 73 4.189 -9.364 -2.929 599 2HG ARG 73 3HG ARG 73 5.659 -9.184 -3.885 600 1HD ARG 73 2HD ARG 73 5.538 -11.892 -3.851 601 2HD ARG 73 3HD ARG 73 3.814 -11.528 -3.604 602 HE ARG 73 HE ARG 73 5.073 -10.055 -5.809 603 1HH1 ARG 73 1HH2 ARG 73 3.581 -13.147 -4.953 604 2HH1 ARG 73 2HH2 ARG 73 3.307 -13.621 -6.607 605 1HH2 ARG 73 1HH1 ARG 73 4.698 -10.620 -7.912 606 2HH2 ARG 73 2HH1 ARG 73 3.988 -12.159 -8.347 607 H ALA 74 H ALA 74 4.394 -7.080 -1.430 608 HA ALA 74 HA ALA 74 2.795 -8.255 0.745 609 1HB ALA 74 1HB ALA 74 3.971 -6.614 1.923 610 2HB ALA 74 2HB ALA 74 3.719 -5.401 0.658 611 3HB ALA 74 3HB ALA 74 2.345 -5.967 1.633 612 H ASP 75 H ASP 75 1.024 -8.918 -0.261 613 HA ASP 75 HA ASP 75 -0.222 -7.246 -2.382 614 1HB ASP 75 2HB ASP 75 -0.430 -10.204 -1.735 615 2HB ASP 75 3HB ASP 75 -1.527 -9.343 -2.818 616 H ILE 76 H ILE 76 -1.751 -5.920 -1.345 617 HA ILE 76 HA ILE 76 -3.316 -7.151 0.935 618 HB ILE 76 HB ILE 76 -2.936 -4.306 0.021 619 1HG1 ILE 76 2HG1 ILE 76 -1.271 -5.088 1.619 620 2HG1 ILE 76 3HG1 ILE 76 -2.351 -3.931 2.394 621 1HG2 ILE 76 1HG2 ILE 76 -5.292 -4.395 0.324 622 2HG2 ILE 76 2HG2 ILE 76 -5.164 -5.382 1.788 623 3HG2 ILE 76 3HG2 ILE 76 -4.637 -3.686 1.798 624 1HD1 ILE 76 1HD1 ILE 76 -3.649 -5.995 3.303 625 2HD1 ILE 76 2HD1 ILE 76 -2.231 -6.936 2.805 626 3HD1 ILE 76 3HD1 ILE 76 -2.064 -5.632 3.981 627 H SER 77 H SER 77 -5.333 -7.783 0.591 628 HA SER 77 HA SER 77 -6.488 -7.517 -2.137 629 1HB SER 77 2HB SER 77 -5.910 -9.851 -1.395 630 2HB SER 77 3HB SER 77 -7.016 -9.615 -0.034 631 HG SER 77 HG SER 77 -8.701 -9.291 -1.609 632 H GLU 78 H GLU 78 -8.790 -7.014 -2.197 633 HA GLU 78 HA GLU 78 -9.823 -6.019 0.359 634 1HB GLU 78 2HB GLU 78 -10.186 -4.942 -2.475 635 2HB GLU 78 3HB GLU 78 -11.174 -4.418 -1.115 636 1HG GLU 78 2HG GLU 78 -8.878 -3.926 0.068 637 2HG GLU 78 3HG GLU 78 -8.240 -3.951 -1.585 638 H ASP 79 H ASP 79 -12.135 -5.849 0.469 639 HA ASP 79 HA ASP 79 -13.493 -8.260 -0.636 640 1HB ASP 79 2HB ASP 79 -13.546 -7.948 1.780 641 2HB ASP 79 3HB ASP 79 -14.313 -6.370 1.590 642 H TYR 80 H TYR 80 -14.049 -7.716 -2.654 643 HA TYR 80 HA TYR 80 -15.126 -5.712 -4.054 644 1HB TYR 80 2HB TYR 80 -14.962 -7.944 -4.956 645 2HB TYR 80 3HB TYR 80 -16.024 -8.586 -3.711 646 HD1 TYR 80 1HD TYR 80 -17.759 -9.613 -4.870 647 HD2 TYR 80 2HD TYR 80 -16.525 -5.644 -6.036 648 HE1 TYR 80 1HE TYR 80 -19.745 -9.417 -6.332 649 HE2 TYR 80 2HE TYR 80 -18.530 -5.440 -7.459 650 HH TYR 80 HH TYR 80 -20.481 -6.441 -8.170 651 H LYS 81 H LYS 81 -16.945 -7.501 -1.539 652 HA LYS 81 HA LYS 81 -19.502 -6.583 -2.069 653 1HB LYS 81 2HB LYS 81 -18.714 -8.357 -0.422 654 2HB LYS 81 3HB LYS 81 -18.255 -7.030 0.662 655 1HG LYS 81 2HG LYS 81 -20.397 -8.117 1.249 656 2HG LYS 81 3HG LYS 81 -20.598 -6.388 0.939 657 1HD LYS 81 2HD LYS 81 -21.615 -6.772 -1.190 658 2HD LYS 81 3HD LYS 81 -21.077 -8.468 -1.241 659 1HE LYS 81 2HE LYS 81 -22.596 -9.060 0.575 660 2HE LYS 81 3HE LYS 81 -23.065 -7.361 0.793 661 1HZ LYS 81 1HZ LYS 81 -24.000 -7.385 -1.385 662 2HZ LYS 81 2HZ LYS 81 -23.524 -8.943 -1.639 663 3HZ LYS 81 3HZ LYS 81 -24.655 -8.603 -0.489 664 H THR 82 H THR 82 -16.846 -4.772 -0.649 665 HA THR 82 HA THR 82 -18.388 -2.328 -0.519 666 HB THR 82 HB THR 82 -17.478 -3.841 1.965 667 HG1 THR 82 1HG THR 82 -19.761 -3.574 0.865 668 1HG2 THR 82 1HG2 THR 82 -16.528 -1.683 2.351 669 2HG2 THR 82 2HG2 THR 82 -17.932 -0.880 1.592 670 3HG2 THR 82 3HG2 THR 82 -18.096 -1.717 3.168 671 H ARG 83 H ARG 83 -15.480 -3.289 1.244 672 HA ARG 83 HA ARG 83 -13.348 -2.741 -0.331 673 1HB ARG 83 2HB ARG 83 -14.721 -0.205 0.238 674 2HB ARG 83 3HB ARG 83 -13.034 -0.180 0.705 675 1HG ARG 83 2HG ARG 83 -12.344 -0.959 -1.535 676 2HG ARG 83 3HG ARG 83 -14.018 -0.836 -2.085 677 1HD ARG 83 2HD ARG 83 -14.036 1.567 -1.448 678 2HD ARG 83 3HD ARG 83 -12.341 1.420 -0.917 679 HE ARG 83 HE ARG 83 -12.595 0.501 -3.607 680 1HH1 ARG 83 1HH2 ARG 83 -12.683 3.495 -1.741 681 2HH1 ARG 83 2HH2 ARG 83 -12.145 4.505 -3.056 682 1HH2 ARG 83 1HH1 ARG 83 -11.934 1.806 -5.352 683 2HH2 ARG 83 2HH1 ARG 83 -11.725 3.525 -5.155 684 H GLY 84 H GLY 84 -13.925 -4.401 1.732 685 1HA GLY 84 2HA GLY 84 -12.628 -3.511 4.210 686 2HA GLY 84 3HA GLY 84 -13.117 -5.164 3.788 687 H ARG 85 H ARG 85 -10.470 -4.485 4.789 688 HA ARG 85 HA ARG 85 -8.732 -5.068 2.427 689 1HB ARG 85 2HB ARG 85 -7.161 -4.095 4.613 690 2HB ARG 85 3HB ARG 85 -7.382 -3.427 3.008 691 1HG ARG 85 2HG ARG 85 -7.911 -1.697 4.516 692 2HG ARG 85 3HG ARG 85 -9.458 -2.240 3.885 693 1HD ARG 85 2HD ARG 85 -9.074 -3.865 6.170 694 2HD ARG 85 3HD ARG 85 -8.299 -2.350 6.631 695 HE ARG 85 HE ARG 85 -10.806 -1.709 5.489 696 1HH1 ARG 85 1HH2 ARG 85 -9.512 -3.340 8.339 697 2HH1 ARG 85 2HH2 ARG 85 -10.878 -2.968 9.355 698 1HH2 ARG 85 1HH1 ARG 85 -12.609 -1.223 6.790 699 2HH2 ARG 85 2HH1 ARG 85 -12.676 -1.742 8.453 700 H LYS 86 H LYS 86 -7.843 -7.081 2.463 701 HA LYS 86 HA LYS 86 -7.762 -8.553 5.052 702 1HB LYS 86 2HB LYS 86 -8.206 -9.514 2.218 703 2HB LYS 86 3HB LYS 86 -7.754 -10.599 3.535 704 1HG LYS 86 2HG LYS 86 -10.268 -8.863 3.501 705 2HG LYS 86 3HG LYS 86 -10.160 -10.572 3.096 706 1HD LYS 86 2HD LYS 86 -10.887 -10.729 5.231 707 2HD LYS 86 3HD LYS 86 -9.161 -10.924 5.485 708 1HE LYS 86 2HE LYS 86 -9.036 -8.968 6.761 709 2HE LYS 86 3HE LYS 86 -10.111 -8.086 5.678 710 1HZ LYS 86 1HZ LYS 86 -11.955 -9.225 6.647 711 2HZ LYS 86 2HZ LYS 86 -10.964 -10.053 7.670 712 3HZ LYS 86 3HZ LYS 86 -11.092 -8.413 7.789 713 H LEU 87 H LEU 87 -6.055 -9.600 5.680 714 HA LEU 87 HA LEU 87 -3.526 -8.539 4.818 715 1HB LEU 87 2HB LEU 87 -4.377 -9.053 7.165 716 2HB LEU 87 3HB LEU 87 -4.088 -10.761 6.836 717 HG LEU 87 HG LEU 87 -2.125 -8.461 6.830 718 1HD1 LEU 87 1HD1 LEU 87 -2.886 -9.245 9.071 719 2HD1 LEU 87 2HD1 LEU 87 -2.314 -10.881 8.685 720 3HD1 LEU 87 3HD1 LEU 87 -1.156 -9.546 8.829 721 1HD2 LEU 87 1HD2 LEU 87 -1.614 -11.445 6.288 722 2HD2 LEU 87 2HD2 LEU 87 -1.241 -10.091 5.203 723 3HD2 LEU 87 3HD2 LEU 87 -0.322 -10.317 6.677 724 H LEU 88 H LEU 88 -3.248 -9.295 2.692 725 HA LEU 88 HA LEU 88 -2.299 -12.133 2.506 726 1HB LEU 88 2HB LEU 88 -3.548 -10.242 0.539 727 2HB LEU 88 3HB LEU 88 -2.272 -11.298 -0.059 728 HG LEU 88 HG LEU 88 -4.463 -12.170 -0.506 729 1HD1 LEU 88 1HD1 LEU 88 -4.139 -14.449 0.218 730 2HD1 LEU 88 2HD1 LEU 88 -2.564 -13.729 -0.162 731 3HD1 LEU 88 3HD1 LEU 88 -3.062 -13.952 1.528 732 1HD2 LEU 88 1HD2 LEU 88 -4.915 -12.523 2.475 733 2HD2 LEU 88 2HD2 LEU 88 -5.652 -11.237 1.491 734 3HD2 LEU 88 3HD2 LEU 88 -6.010 -12.943 1.153 735 H ARG 89 H ARG 89 -1.267 -9.039 3.183 736 HA ARG 89 HA ARG 89 1.058 -8.852 1.697 737 1HB ARG 89 2HB ARG 89 1.890 -7.336 3.569 738 2HB ARG 89 3HB ARG 89 0.400 -6.851 2.807 739 1HG ARG 89 2HG ARG 89 -0.905 -7.672 4.690 740 2HG ARG 89 3HG ARG 89 0.539 -8.386 5.429 741 1HD ARG 89 2HD ARG 89 1.347 -6.379 6.157 742 2HD ARG 89 3HD ARG 89 0.789 -5.498 4.734 743 HE ARG 89 HE ARG 89 -1.183 -4.956 5.694 744 1HH1 ARG 89 1HH2 ARG 89 0.534 -7.162 7.943 745 2HH1 ARG 89 2HH2 ARG 89 -0.773 -7.102 9.105 746 1HH2 ARG 89 1HH1 ARG 89 -2.906 -5.097 7.205 747 2HH2 ARG 89 2HH1 ARG 89 -2.714 -6.066 8.634 748 H PHE 90 H PHE 90 3.248 -8.808 2.505 749 HA PHE 90 HA PHE 90 5.085 -9.497 3.508 750 1HB PHE 90 2HB PHE 90 3.259 -9.221 5.515 751 2HB PHE 90 3HB PHE 90 3.765 -10.867 5.800 752 HD1 PHE 90 1HD PHE 90 4.538 -7.335 6.027 753 HD2 PHE 90 2HD PHE 90 6.313 -11.275 6.119 754 HE1 PHE 90 1HE PHE 90 6.440 -6.438 7.281 755 HE2 PHE 90 2HE PHE 90 8.266 -10.355 7.353 756 HZ PHE 90 HZ PHE 90 8.299 -7.969 8.013 757 H ASN 91 H ASN 91 5.138 -10.845 1.579 758 HA ASN 91 HA ASN 91 5.326 -13.743 2.214 759 1HB ASN 91 2HB ASN 91 3.168 -12.885 0.928 760 2HB ASN 91 3HB ASN 91 4.267 -12.817 -0.452 761 1HD2 ASN 91 2HD2 ASN 91 5.081 -14.885 -1.317 762 2HD2 ASN 91 1HD2 ASN 91 4.379 -16.392 -0.751 763 H GLY 92 H GLY 92 6.579 -14.862 0.417 764 1HA GLY 92 2HA GLY 92 8.321 -14.797 -1.227 765 2HA GLY 92 3HA GLY 92 8.746 -13.163 -0.729 766 HA PRO 93 HA PRO 93 10.257 -12.074 0.621 767 1HB PRO 93 2HB PRO 93 12.964 -11.966 0.881 768 2HB PRO 93 3HB PRO 93 11.876 -12.050 2.292 769 1HG PRO 93 2HG PRO 93 13.305 -14.364 0.942 770 2HG PRO 93 3HG PRO 93 13.319 -13.946 2.683 771 1HD PRO 93 2HD PRO 93 11.606 -15.806 1.686 772 2HD PRO 93 3HD PRO 93 11.054 -14.668 2.946 773 H VAL 94 H VAL 94 11.745 -10.990 -1.079 774 HA VAL 94 HA VAL 94 12.452 -12.844 -3.287 775 HB VAL 94 HB VAL 94 11.395 -11.374 -4.932 776 1HG1 VAL 94 1HG1 VAL 94 10.105 -13.288 -3.965 777 2HG1 VAL 94 2HG1 VAL 94 9.344 -12.150 -2.830 778 3HG1 VAL 94 3HG1 VAL 94 9.094 -11.965 -4.572 779 1HG2 VAL 94 1HG2 VAL 94 10.269 -9.791 -2.594 780 2HG2 VAL 94 2HG2 VAL 94 11.465 -9.229 -3.795 781 3HG2 VAL 94 3HG2 VAL 94 9.826 -9.626 -4.301 782 HA PRO 95 HA PRO 95 16.071 -10.316 -3.343 783 1HB PRO 95 2HB PRO 95 16.940 -10.501 -5.956 784 2HB PRO 95 3HB PRO 95 16.984 -11.875 -4.812 785 1HG PRO 95 2HG PRO 95 14.843 -11.230 -6.857 786 2HG PRO 95 3HG PRO 95 15.691 -12.788 -6.624 787 1HD PRO 95 2HD PRO 95 13.266 -12.345 -5.536 788 2HD PRO 95 3HD PRO 95 14.510 -13.215 -4.600 789 HA PRO 96 HA PRO 96 14.880 -6.295 -4.768 790 1HB PRO 96 2HB PRO 96 17.261 -5.041 -5.420 791 2HB PRO 96 3HB PRO 96 16.779 -5.417 -3.741 792 1HG PRO 96 2HG PRO 96 18.551 -7.062 -5.566 793 2HG PRO 96 3HG PRO 96 18.885 -6.556 -3.881 794 1HD PRO 96 2HD PRO 96 17.904 -9.012 -4.427 795 2HD PRO 96 3HD PRO 96 17.281 -8.101 -3.022 796 HA PRO 97 HA PRO 97 14.468 -6.472 -9.178 797 1HB PRO 97 2HB PRO 97 13.844 -3.898 -9.838 798 2HB PRO 97 3HB PRO 97 12.745 -4.932 -8.880 799 1HG PRO 97 2HG PRO 97 14.735 -2.896 -7.825 800 2HG PRO 97 3HG PRO 97 12.998 -3.031 -7.421 801 1HD PRO 97 2HD PRO 97 14.911 -4.130 -5.841 802 2HD PRO 97 3HD PRO 97 13.369 -4.990 -6.130 Start of MODEL 8 1 1H MET 1 1H MET 1 -10.744 -5.020 -11.854 2 2H MET 1 2H MET 1 -9.882 -3.684 -12.261 3 3H MET 1 3H MET 1 -11.532 -3.678 -12.407 4 HA MET 1 HA MET 1 -11.424 -5.350 -14.091 5 1HB MET 1 2HB MET 1 -9.659 -2.922 -14.597 6 2HB MET 1 3HB MET 1 -10.263 -3.994 -15.871 7 1HG MET 1 2HG MET 1 -12.593 -3.538 -15.162 8 2HG MET 1 3HG MET 1 -12.009 -2.367 -13.975 9 1HE MET 1 1HE MET 1 -10.999 -0.034 -14.555 10 2HE MET 1 2HE MET 1 -9.717 -0.777 -15.545 11 3HE MET 1 3HE MET 1 -10.706 0.538 -16.212 12 H GLY 2 H GLY 2 -9.950 -6.333 -15.781 13 1HA GLY 2 2HA GLY 2 -8.152 -8.106 -14.413 14 2HA GLY 2 3HA GLY 2 -8.421 -8.005 -16.169 15 H GLU 3 H GLU 3 -7.623 -5.541 -16.900 16 HA GLU 3 HA GLU 3 -4.792 -5.610 -16.774 17 1HB GLU 3 2HB GLU 3 -6.585 -3.238 -17.434 18 2HB GLU 3 3HB GLU 3 -4.849 -3.394 -17.734 19 1HG GLU 3 2HG GLU 3 -5.480 -4.143 -19.763 20 2HG GLU 3 3HG GLU 3 -5.663 -5.690 -18.937 21 H TRP 4 H TRP 4 -3.522 -5.046 -15.274 22 HA TRP 4 HA TRP 4 -4.231 -4.165 -12.689 23 1HB TRP 4 2HB TRP 4 -1.588 -4.086 -14.146 24 2HB TRP 4 3HB TRP 4 -1.782 -3.776 -12.458 25 HD1 TRP 4 HD TRP 4 -3.319 -6.887 -14.373 26 HE1 TRP 4 1HE TRP 4 -2.357 -8.955 -13.322 27 HE3 TRP 4 3HE TRP 4 -0.751 -4.714 -10.554 28 HZ2 TRP 4 2HZ TRP 4 -0.628 -9.651 -11.076 29 HZ3 TRP 4 3HZ TRP 4 0.391 -6.101 -8.856 30 HH2 TRP 4 HH TRP 4 0.574 -8.576 -9.178 31 H GLU 5 H GLU 5 -3.639 -2.189 -11.653 32 HA GLU 5 HA GLU 5 -3.871 0.262 -13.342 33 1HB GLU 5 2HB GLU 5 -5.559 -0.534 -10.938 34 2HB GLU 5 3HB GLU 5 -5.525 1.058 -11.654 35 1HG GLU 5 2HG GLU 5 -6.024 -0.774 -13.817 36 2HG GLU 5 3HG GLU 5 -7.038 -1.296 -12.473 37 H ILE 6 H ILE 6 -3.505 2.210 -12.028 38 HA ILE 6 HA ILE 6 -0.961 1.958 -10.749 39 HB ILE 6 HB ILE 6 -1.105 4.391 -10.428 40 1HG1 ILE 6 2HG1 ILE 6 -3.790 4.311 -11.877 41 2HG1 ILE 6 3HG1 ILE 6 -3.647 4.478 -10.123 42 1HG2 ILE 6 1HG2 ILE 6 -0.260 3.341 -12.519 43 2HG2 ILE 6 2HG2 ILE 6 -1.878 3.476 -13.236 44 3HG2 ILE 6 3HG2 ILE 6 -0.960 4.934 -12.810 45 1HD1 ILE 6 1HD1 ILE 6 -2.283 6.524 -10.408 46 2HD1 ILE 6 2HD1 ILE 6 -2.529 6.427 -12.168 47 3HD1 ILE 6 3HD1 ILE 6 -3.914 6.661 -11.090 48 H ILE 7 H ILE 7 -0.334 2.179 -8.708 49 HA ILE 7 HA ILE 7 -2.124 1.740 -6.514 50 HB ILE 7 HB ILE 7 0.143 0.952 -6.486 51 1HG1 ILE 7 2HG1 ILE 7 0.804 2.681 -4.331 52 2HG1 ILE 7 3HG1 ILE 7 -0.953 2.588 -4.325 53 1HG2 ILE 7 1HG2 ILE 7 1.234 2.717 -7.840 54 2HG2 ILE 7 2HG2 ILE 7 1.076 3.839 -6.477 55 3HG2 ILE 7 3HG2 ILE 7 2.065 2.382 -6.328 56 1HD1 ILE 7 1HD1 ILE 7 -0.735 0.058 -4.383 57 2HD1 ILE 7 2HD1 ILE 7 1.012 0.272 -4.197 58 3HD1 ILE 7 3HD1 ILE 7 -0.083 0.839 -2.926 59 H ASP 8 H ASP 8 -0.532 4.611 -7.901 60 HA ASP 8 HA ASP 8 -0.854 6.801 -7.696 61 1HB ASP 8 2HB ASP 8 -3.315 6.057 -7.993 62 2HB ASP 8 3HB ASP 8 -3.498 6.343 -6.259 63 H ILE 9 H ILE 9 -1.188 8.632 -6.047 64 HA ILE 9 HA ILE 9 0.178 7.916 -3.497 65 HB ILE 9 HB ILE 9 -0.126 10.568 -4.952 66 1HG1 ILE 9 2HG1 ILE 9 1.251 9.100 -6.322 67 2HG1 ILE 9 3HG1 ILE 9 2.258 10.321 -5.565 68 1HG2 ILE 9 1HG2 ILE 9 0.297 11.148 -2.706 69 2HG2 ILE 9 2HG2 ILE 9 1.478 9.831 -2.487 70 3HG2 ILE 9 3HG2 ILE 9 1.859 11.236 -3.500 71 1HD1 ILE 9 1HD1 ILE 9 2.933 8.636 -3.811 72 2HD1 ILE 9 2HD1 ILE 9 2.002 7.406 -4.696 73 3HD1 ILE 9 3HD1 ILE 9 3.389 8.188 -5.462 74 H GLY 10 H GLY 10 -0.469 9.434 -1.659 75 1HA GLY 10 2HA GLY 10 -2.063 10.549 -0.392 76 2HA GLY 10 3HA GLY 10 -3.265 10.303 -1.655 77 HA PRO 11 HA PRO 11 -4.235 7.455 1.836 78 1HB PRO 11 2HB PRO 11 -6.941 7.394 1.660 79 2HB PRO 11 3HB PRO 11 -6.067 8.859 2.176 80 1HG PRO 11 2HG PRO 11 -7.061 8.217 -0.618 81 2HG PRO 11 3HG PRO 11 -7.371 9.701 0.331 82 1HD PRO 11 2HD PRO 11 -5.366 9.541 -1.505 83 2HD PRO 11 3HD PRO 11 -5.145 10.465 0.013 84 H PHE 12 H PHE 12 -2.974 6.113 0.099 85 HA PHE 12 HA PHE 12 -4.513 3.697 -0.417 86 1HB PHE 12 2HB PHE 12 -4.863 5.299 -2.360 87 2HB PHE 12 3HB PHE 12 -3.179 5.104 -2.775 88 HD1 PHE 12 1HD PHE 12 -2.777 2.115 -2.449 89 HD2 PHE 12 2HD PHE 12 -6.060 4.398 -4.105 90 HE1 PHE 12 1HE PHE 12 -2.934 0.555 -4.323 91 HE2 PHE 12 2HE PHE 12 -6.173 2.829 -6.003 92 HZ PHE 12 HZ PHE 12 -4.481 1.026 -6.212 93 H THR 13 H THR 13 -1.417 5.038 -1.749 94 HA THR 13 HA THR 13 0.064 2.715 -1.121 95 HB THR 13 HB THR 13 0.722 4.394 -2.802 96 HG1 THR 13 1HG THR 13 2.291 3.001 -1.960 97 1HG2 THR 13 1HG2 THR 13 0.231 6.499 -1.499 98 2HG2 THR 13 2HG2 THR 13 1.709 6.178 -0.550 99 3HG2 THR 13 3HG2 THR 13 1.818 6.441 -2.287 100 H GLN 14 H GLN 14 -0.287 5.815 0.604 101 HA GLN 14 HA GLN 14 1.340 5.081 2.843 102 1HB GLN 14 2HB GLN 14 -0.396 7.330 1.983 103 2HB GLN 14 3HB GLN 14 -0.419 7.055 3.715 104 1HG GLN 14 2HG GLN 14 1.970 7.307 3.889 105 2HG GLN 14 3HG GLN 14 2.184 7.215 2.133 106 1HE2 GLN 14 2HE2 GLN 14 1.588 9.040 0.804 107 2HE2 GLN 14 1HE2 GLN 14 1.394 10.625 1.539 108 H ASN 15 H ASN 15 -2.174 4.942 2.228 109 HA ASN 15 HA ASN 15 -2.989 4.164 4.797 110 1HB ASN 15 2HB ASN 15 -4.385 4.735 2.700 111 2HB ASN 15 3HB ASN 15 -4.248 3.036 2.263 112 1HD2 ASN 15 2HD2 ASN 15 -4.395 2.049 5.180 113 2HD2 ASN 15 1HD2 ASN 15 -6.076 2.338 5.577 114 H LEU 16 H LEU 16 -1.969 2.144 2.039 115 HA LEU 16 HA LEU 16 -2.188 -0.412 3.464 116 1HB LEU 16 2HB LEU 16 -0.680 0.398 0.957 117 2HB LEU 16 3HB LEU 16 -0.925 -1.256 1.541 118 HG LEU 16 HG LEU 16 -3.269 0.566 0.787 119 1HD1 LEU 16 1HD1 LEU 16 -1.755 0.194 -1.136 120 2HD1 LEU 16 2HD1 LEU 16 -1.883 -1.557 -0.869 121 3HD1 LEU 16 3HD1 LEU 16 -3.322 -0.603 -1.317 122 1HD2 LEU 16 1HD2 LEU 16 -3.040 -2.405 1.259 123 2HD2 LEU 16 2HD2 LEU 16 -3.909 -1.246 2.289 124 3HD2 LEU 16 3HD2 LEU 16 -4.480 -1.565 0.648 125 H ALA 17 H ALA 17 0.608 1.805 2.766 126 HA ALA 17 HA ALA 17 2.570 0.177 3.970 127 1HB ALA 17 1HB ALA 17 3.058 2.239 2.708 128 2HB ALA 17 2HB ALA 17 2.347 3.218 4.010 129 3HB ALA 17 3HB ALA 17 3.816 2.269 4.315 130 H LYS 18 H LYS 18 0.492 2.689 5.476 131 HA LYS 18 HA LYS 18 1.309 2.172 8.117 132 1HB LYS 18 2HB LYS 18 -0.816 3.753 6.853 133 2HB LYS 18 3HB LYS 18 -1.422 2.942 8.285 134 1HG LYS 18 2HG LYS 18 1.025 4.751 8.193 135 2HG LYS 18 3HG LYS 18 -0.581 5.146 8.818 136 1HD LYS 18 2HD LYS 18 -0.226 3.059 10.402 137 2HD LYS 18 3HD LYS 18 1.481 3.231 9.982 138 1HE LYS 18 2HE LYS 18 1.207 4.422 11.994 139 2HE LYS 18 3HE LYS 18 1.347 5.656 10.732 140 1HZ LYS 18 1HZ LYS 18 -1.055 5.839 10.783 141 2HZ LYS 18 2HZ LYS 18 -1.152 4.673 11.942 142 3HZ LYS 18 3HZ LYS 18 -0.421 6.109 12.279 143 H PHE 19 H PHE 19 -1.432 0.699 6.251 144 HA PHE 19 HA PHE 19 -2.404 -0.917 8.280 145 1HB PHE 19 2HB PHE 19 -3.318 -0.785 5.949 146 2HB PHE 19 3HB PHE 19 -2.014 -1.822 5.410 147 HD1 PHE 19 1HD PHE 19 -3.116 -3.748 4.604 148 HD2 PHE 19 2HD PHE 19 -4.218 -2.196 8.483 149 HE1 PHE 19 1HE PHE 19 -4.676 -5.638 4.932 150 HE2 PHE 19 2HE PHE 19 -5.757 -4.088 8.793 151 HZ PHE 19 HZ PHE 19 -6.104 -5.762 6.964 152 H ALA 20 H ALA 20 0.350 -1.691 6.092 153 HA ALA 20 HA ALA 20 1.009 -4.180 7.150 154 1HB ALA 20 1HB ALA 20 2.285 -2.742 5.306 155 2HB ALA 20 2HB ALA 20 3.377 -2.404 6.642 156 3HB ALA 20 3HB ALA 20 3.059 -4.079 6.192 157 H VAL 21 H VAL 21 2.376 -1.045 8.308 158 HA VAL 21 HA VAL 21 3.841 -2.338 10.403 159 HB VAL 21 HB VAL 21 3.156 0.603 9.985 160 1HG1 VAL 21 1HG1 VAL 21 3.871 0.221 12.333 161 2HG1 VAL 21 2HG1 VAL 21 5.273 -0.709 11.768 162 3HG1 VAL 21 3HG1 VAL 21 5.165 1.028 11.439 163 1HG2 VAL 21 1HG2 VAL 21 5.759 -0.849 9.335 164 2HG2 VAL 21 2HG2 VAL 21 4.529 -0.428 8.122 165 3HG2 VAL 21 3HG2 VAL 21 5.370 0.841 9.019 166 H ASP 22 H ASP 22 0.856 -0.328 10.449 167 HA ASP 22 HA ASP 22 0.323 -0.348 13.220 168 1HB ASP 22 2HB ASP 22 -0.910 1.067 11.653 169 2HB ASP 22 3HB ASP 22 -1.586 -0.353 10.841 170 H GLU 23 H GLU 23 -0.845 -2.606 10.662 171 HA GLU 23 HA GLU 23 -2.300 -4.177 12.515 172 1HB GLU 23 2HB GLU 23 -2.491 -3.955 9.901 173 2HB GLU 23 3HB GLU 23 -1.277 -5.253 9.864 174 1HG GLU 23 2HG GLU 23 -2.824 -6.506 11.429 175 2HG GLU 23 3HG GLU 23 -3.988 -5.170 11.229 176 H GLU 24 H GLU 24 0.963 -4.496 11.097 177 HA GLU 24 HA GLU 24 1.724 -6.873 12.476 178 1HB GLU 24 2HB GLU 24 3.236 -5.994 10.928 179 2HB GLU 24 3HB GLU 24 3.307 -4.406 11.653 180 1HG GLU 24 2HG GLU 24 4.123 -6.736 13.393 181 2HG GLU 24 3HG GLU 24 5.104 -6.332 12.014 182 H ASN 25 H ASN 25 1.702 -3.459 13.609 183 HA ASN 25 HA ASN 25 2.924 -4.025 16.053 184 1HB ASN 25 2HB ASN 25 2.047 -1.706 14.745 185 2HB ASN 25 3HB ASN 25 1.024 -1.741 16.171 186 1HD2 ASN 25 2HD2 ASN 25 4.453 -2.360 15.207 187 2HD2 ASN 25 1HD2 ASN 25 5.149 -1.490 16.577 188 H LYS 26 H LYS 26 -0.571 -3.758 15.330 189 HA LYS 26 HA LYS 26 -1.341 -4.342 18.073 190 1HB LYS 26 2HB LYS 26 -3.602 -4.537 17.205 191 2HB LYS 26 3HB LYS 26 -2.779 -3.048 16.736 192 1HG LYS 26 2HG LYS 26 -3.148 -3.442 14.569 193 2HG LYS 26 3HG LYS 26 -2.244 -4.946 14.698 194 1HD LYS 26 2HD LYS 26 -4.230 -5.701 13.882 195 2HD LYS 26 3HD LYS 26 -4.376 -6.033 15.617 196 1HE LYS 26 2HE LYS 26 -5.724 -3.932 15.868 197 2HE LYS 26 3HE LYS 26 -5.516 -3.600 14.137 198 1HZ LYS 26 1HZ LYS 26 -6.661 -5.646 13.671 199 2HZ LYS 26 2HZ LYS 26 -6.899 -5.920 15.278 200 3HZ LYS 26 3HZ LYS 26 -7.604 -4.621 14.549 201 H ILE 27 H ILE 27 -0.389 -6.468 15.433 202 HA ILE 27 HA ILE 27 -1.577 -8.814 16.841 203 HB ILE 27 HB ILE 27 -0.497 -8.420 14.038 204 1HG1 ILE 27 2HG1 ILE 27 -3.292 -8.953 15.170 205 2HG1 ILE 27 3HG1 ILE 27 -2.700 -7.425 14.507 206 1HG2 ILE 27 1HG2 ILE 27 0.091 -10.628 14.740 207 2HG2 ILE 27 2HG2 ILE 27 -1.546 -10.943 15.374 208 3HG2 ILE 27 3HG2 ILE 27 -1.253 -10.758 13.626 209 1HD1 ILE 27 1HD1 ILE 27 -2.306 -8.629 12.304 210 2HD1 ILE 27 2HD1 ILE 27 -3.237 -9.988 12.981 211 3HD1 ILE 27 3HD1 ILE 27 -4.001 -8.405 12.797 212 H GLY 28 H GLY 28 1.560 -7.992 15.297 213 1HA GLY 28 2HA GLY 28 3.690 -8.588 15.774 214 2HA GLY 28 3HA GLY 28 3.150 -8.897 17.426 215 H GLN 29 H GLN 29 2.454 -10.562 14.294 216 HA GLN 29 HA GLN 29 3.414 -13.150 15.455 217 1HB GLN 29 2HB GLN 29 2.027 -12.489 12.822 218 2HB GLN 29 3HB GLN 29 2.698 -14.072 13.225 219 1HG GLN 29 2HG GLN 29 0.385 -12.707 14.641 220 2HG GLN 29 3HG GLN 29 0.328 -14.108 13.588 221 1HE2 GLN 29 2HE2 GLN 29 1.403 -12.900 16.783 222 2HE2 GLN 29 1HE2 GLN 29 1.463 -14.489 17.517 223 H TYR 30 H TYR 30 4.048 -11.076 12.624 224 HA TYR 30 HA TYR 30 6.581 -12.552 12.147 225 1HB TYR 30 2HB TYR 30 6.508 -11.186 9.985 226 2HB TYR 30 3HB TYR 30 5.387 -12.516 10.209 227 HD1 TYR 30 1HD TYR 30 5.653 -8.882 9.759 228 HD2 TYR 30 2HD TYR 30 2.978 -12.167 10.529 229 HE1 TYR 30 1HE TYR 30 3.728 -7.421 9.300 230 HE2 TYR 30 2HE TYR 30 1.037 -10.672 10.132 231 HH TYR 30 HH TYR 30 1.431 -7.182 9.418 232 H GLY 31 H GLY 31 5.480 -9.139 12.340 233 1HA GLY 31 2HA GLY 31 6.603 -7.473 13.611 234 2HA GLY 31 3HA GLY 31 8.098 -8.399 13.589 235 H ARG 32 H ARG 32 7.051 -5.608 12.421 236 HA ARG 32 HA ARG 32 7.512 -5.976 9.601 237 1HB ARG 32 2HB ARG 32 5.897 -4.319 10.947 238 2HB ARG 32 3HB ARG 32 7.243 -3.211 10.765 239 1HG ARG 32 2HG ARG 32 5.755 -4.713 8.559 240 2HG ARG 32 3HG ARG 32 5.446 -3.070 9.062 241 1HD ARG 32 2HD ARG 32 6.730 -2.489 7.308 242 2HD ARG 32 3HD ARG 32 8.041 -2.736 8.424 243 HE ARG 32 HE ARG 32 8.693 -4.625 7.234 244 1HH1 ARG 32 1HH2 ARG 32 5.421 -3.709 6.266 245 2HH1 ARG 32 2HH2 ARG 32 5.392 -4.732 4.853 246 1HH2 ARG 32 1HH1 ARG 32 8.622 -6.046 5.404 247 2HH2 ARG 32 2HH1 ARG 32 7.220 -6.089 4.381 248 H LEU 33 H LEU 33 9.715 -6.800 10.841 249 HA LEU 33 HA LEU 33 11.974 -6.405 11.370 250 1HB LEU 33 2HB LEU 33 11.645 -4.913 8.764 251 2HB LEU 33 3HB LEU 33 13.180 -5.480 9.454 252 HG LEU 33 HG LEU 33 12.513 -6.884 7.654 253 1HD1 LEU 33 1HD1 LEU 33 13.728 -7.883 9.584 254 2HD1 LEU 33 2HD1 LEU 33 12.173 -8.424 10.253 255 3HD1 LEU 33 3HD1 LEU 33 12.734 -9.056 8.696 256 1HD2 LEU 33 1HD2 LEU 33 10.085 -7.946 9.059 257 2HD2 LEU 33 2HD2 LEU 33 9.988 -6.598 7.905 258 3HD2 LEU 33 3HD2 LEU 33 10.633 -8.167 7.396 259 H THR 34 H THR 34 12.719 -3.536 9.929 260 HA THR 34 HA THR 34 11.674 -1.814 12.063 261 HB THR 34 HB THR 34 13.995 -2.349 12.677 262 HG1 THR 34 1HG THR 34 14.593 -0.146 12.877 263 1HG2 THR 34 1HG2 THR 34 14.982 -2.674 10.404 264 2HG2 THR 34 2HG2 THR 34 14.795 -0.936 10.084 265 3HG2 THR 34 3HG2 THR 34 15.887 -1.494 11.362 266 H PHE 35 H PHE 35 11.344 0.284 11.337 267 HA PHE 35 HA PHE 35 10.352 1.026 8.964 268 1HB PHE 35 2HB PHE 35 11.334 2.340 11.277 269 2HB PHE 35 3HB PHE 35 12.122 3.151 9.956 270 HD1 PHE 35 1HD PHE 35 8.752 1.937 11.077 271 HD2 PHE 35 2HD PHE 35 10.961 4.912 8.863 272 HE1 PHE 35 1HE PHE 35 6.701 3.289 10.847 273 HE2 PHE 35 2HE PHE 35 8.904 6.275 8.652 274 HZ PHE 35 HZ PHE 35 6.767 5.475 9.643 275 H ASN 36 H ASN 36 11.200 0.148 7.076 276 HA ASN 36 HA ASN 36 13.902 0.949 6.192 277 1HB ASN 36 2HB ASN 36 13.464 -0.834 4.527 278 2HB ASN 36 3HB ASN 36 13.471 -1.415 6.190 279 1HD2 ASN 36 2HD2 ASN 36 11.376 -1.859 7.289 280 2HD2 ASN 36 1HD2 ASN 36 9.970 -2.245 6.288 281 H LYS 37 H LYS 37 11.829 0.179 3.603 282 HA LYS 37 HA LYS 37 10.564 2.693 3.229 283 1HB LYS 37 2HB LYS 37 13.071 3.204 2.807 284 2HB LYS 37 3HB LYS 37 12.938 2.181 1.372 285 1HG LYS 37 2HG LYS 37 11.211 3.682 0.459 286 2HG LYS 37 3HG LYS 37 11.185 4.604 1.986 287 1HD LYS 37 2HD LYS 37 13.623 5.154 1.628 288 2HD LYS 37 3HD LYS 37 13.524 4.394 0.032 289 1HE LYS 37 2HE LYS 37 11.887 6.789 1.014 290 2HE LYS 37 3HE LYS 37 13.274 6.859 -0.084 291 1HZ LYS 37 1HZ LYS 37 12.027 5.554 -1.651 292 2HZ LYS 37 2HZ LYS 37 10.728 5.499 -0.637 293 3HZ LYS 37 3HZ LYS 37 11.220 6.939 -1.268 294 H VAL 38 H VAL 38 9.272 2.626 1.269 295 HA VAL 38 HA VAL 38 8.948 -0.095 0.099 296 HB VAL 38 HB VAL 38 7.023 0.658 1.355 297 1HG1 VAL 38 1HG1 VAL 38 7.265 3.127 1.192 298 2HG1 VAL 38 2HG1 VAL 38 6.865 3.052 -0.537 299 3HG1 VAL 38 3HG1 VAL 38 5.663 2.593 0.677 300 1HG2 VAL 38 1HG2 VAL 38 6.458 0.761 -1.632 301 2HG2 VAL 38 2HG2 VAL 38 6.632 -0.708 -0.649 302 3HG2 VAL 38 3HG2 VAL 38 5.293 0.404 -0.347 303 H ILE 39 H ILE 39 9.185 -0.339 -2.099 304 HA ILE 39 HA ILE 39 10.424 1.952 -3.490 305 HB ILE 39 HB ILE 39 10.932 0.470 -5.269 306 1HG1 ILE 39 2HG1 ILE 39 10.262 -2.091 -4.747 307 2HG1 ILE 39 3HG1 ILE 39 8.845 -1.294 -4.048 308 1HG2 ILE 39 1HG2 ILE 39 12.305 0.395 -3.189 309 2HG2 ILE 39 2HG2 ILE 39 11.383 -1.029 -2.658 310 3HG2 ILE 39 3HG2 ILE 39 12.362 -1.098 -4.136 311 1HD1 ILE 39 1HD1 ILE 39 8.411 -0.209 -6.268 312 2HD1 ILE 39 2HD1 ILE 39 9.890 -0.959 -6.903 313 3HD1 ILE 39 3HD1 ILE 39 8.516 -1.965 -6.417 314 H ARG 40 H ARG 40 9.583 2.729 -5.616 315 HA ARG 40 HA ARG 40 6.748 2.345 -6.059 316 1HB ARG 40 2HB ARG 40 8.029 5.030 -5.392 317 2HB ARG 40 3HB ARG 40 6.437 4.884 -6.142 318 1HG ARG 40 2HG ARG 40 5.652 3.535 -4.171 319 2HG ARG 40 3HG ARG 40 7.232 3.803 -3.409 320 1HD ARG 40 2HD ARG 40 6.845 6.278 -3.658 321 2HD ARG 40 3HD ARG 40 5.158 5.912 -4.105 322 HE ARG 40 HE ARG 40 5.493 4.494 -1.797 323 1HH1 ARG 40 1HH2 ARG 40 5.865 7.897 -2.629 324 2HH1 ARG 40 2HH2 ARG 40 5.891 8.457 -0.978 325 1HH2 ARG 40 1HH1 ARG 40 5.546 5.184 0.365 326 2HH2 ARG 40 2HH1 ARG 40 5.685 6.875 0.765 327 HA PRO 41 HA PRO 41 5.315 3.597 -7.611 328 1HB PRO 41 2HB PRO 41 4.228 2.930 -9.997 329 2HB PRO 41 3HB PRO 41 4.973 4.527 -9.694 330 1HG PRO 41 2HG PRO 41 6.254 2.121 -11.020 331 2HG PRO 41 3HG PRO 41 6.215 3.806 -11.618 332 1HD PRO 41 2HD PRO 41 8.355 2.795 -10.231 333 2HD PRO 41 3HD PRO 41 7.839 4.491 -10.024 334 H CYS 42 H CYS 42 3.860 2.051 -7.016 335 HA CYS 42 HA CYS 42 4.505 -0.850 -7.387 336 1HB CYS 42 2HB CYS 42 3.048 0.684 -5.220 337 2HB CYS 42 3HB CYS 42 2.753 -1.042 -5.484 338 HG CYS 42 HG CYS 42 5.646 0.455 -4.957 339 H MET 43 H MET 43 2.024 -2.019 -7.241 340 HA MET 43 HA MET 43 0.371 -0.732 -9.342 341 1HB MET 43 2HB MET 43 2.437 -1.959 -10.318 342 2HB MET 43 3HB MET 43 1.652 -3.436 -9.767 343 1HG MET 43 2HG MET 43 0.606 -3.442 -11.724 344 2HG MET 43 3HG MET 43 -0.376 -2.081 -11.205 345 1HE MET 43 1HE MET 43 0.150 0.410 -11.989 346 2HE MET 43 2HE MET 43 1.796 0.313 -11.306 347 3HE MET 43 3HE MET 43 1.556 0.867 -12.979 348 H LYS 44 H LYS 44 -1.694 -1.613 -9.447 349 HA LYS 44 HA LYS 44 -2.347 -3.807 -7.493 350 1HB LYS 44 2HB LYS 44 -4.250 -2.775 -6.746 351 2HB LYS 44 3HB LYS 44 -3.052 -1.485 -6.714 352 1HG LYS 44 2HG LYS 44 -4.166 -0.265 -8.342 353 2HG LYS 44 3HG LYS 44 -4.797 -1.685 -9.175 354 1HD LYS 44 2HD LYS 44 -6.381 -2.153 -7.318 355 2HD LYS 44 3HD LYS 44 -5.803 -0.721 -6.491 356 1HE LYS 44 2HE LYS 44 -6.496 0.668 -8.493 357 2HE LYS 44 3HE LYS 44 -7.225 -0.801 -9.180 358 1HZ LYS 44 1HZ LYS 44 -8.608 -0.930 -7.231 359 2HZ LYS 44 2HZ LYS 44 -7.946 0.448 -6.622 360 3HZ LYS 44 3HZ LYS 44 -8.824 0.499 -8.017 361 H LYS 45 H LYS 45 -4.573 -4.779 -7.950 362 HA LYS 45 HA LYS 45 -5.594 -4.562 -10.632 363 1HB LYS 45 2HB LYS 45 -5.266 -6.788 -11.400 364 2HB LYS 45 3HB LYS 45 -3.699 -6.156 -10.957 365 1HG LYS 45 2HG LYS 45 -5.328 -8.122 -9.262 366 2HG LYS 45 3HG LYS 45 -4.008 -8.510 -10.356 367 1HD LYS 45 2HD LYS 45 -2.554 -6.908 -8.953 368 2HD LYS 45 3HD LYS 45 -3.858 -6.954 -7.760 369 1HE LYS 45 2HE LYS 45 -3.667 -9.399 -7.592 370 2HE LYS 45 3HE LYS 45 -2.415 -9.420 -8.840 371 1HZ LYS 45 1HZ LYS 45 -2.141 -8.029 -6.274 372 2HZ LYS 45 2HZ LYS 45 -1.519 -9.512 -6.618 373 3HZ LYS 45 3HZ LYS 45 -0.995 -8.187 -7.443 374 H THR 46 H THR 46 -7.240 -6.755 -10.705 375 HA THR 46 HA THR 46 -8.502 -6.882 -8.035 376 HB THR 46 HB THR 46 -9.741 -5.628 -9.981 377 HG1 THR 46 1HG THR 46 -10.695 -7.341 -8.017 378 1HG2 THR 46 1HG2 THR 46 -9.613 -7.501 -11.618 379 2HG2 THR 46 2HG2 THR 46 -10.621 -8.484 -10.535 380 3HG2 THR 46 3HG2 THR 46 -11.277 -6.995 -11.241 381 H ILE 47 H ILE 47 -8.635 -8.857 -7.160 382 HA ILE 47 HA ILE 47 -7.098 -10.918 -8.532 383 HB ILE 47 HB ILE 47 -6.582 -10.696 -6.278 384 1HG1 ILE 47 2HG1 ILE 47 -8.401 -13.156 -6.403 385 2HG1 ILE 47 3HG1 ILE 47 -6.835 -13.055 -7.218 386 1HG2 ILE 47 1HG2 ILE 47 -8.356 -9.540 -5.323 387 2HG2 ILE 47 2HG2 ILE 47 -9.548 -10.764 -5.822 388 3HG2 ILE 47 3HG2 ILE 47 -8.414 -11.093 -4.494 389 1HD1 ILE 47 1HD1 ILE 47 -5.718 -12.699 -5.025 390 2HD1 ILE 47 2HD1 ILE 47 -7.278 -12.914 -4.201 391 3HD1 ILE 47 3HD1 ILE 47 -6.582 -14.240 -5.134 392 H TYR 48 H TYR 48 -7.754 -12.843 -9.176 393 HA TYR 48 HA TYR 48 -10.643 -13.196 -9.833 394 1HB TYR 48 2HB TYR 48 -7.996 -13.959 -11.109 395 2HB TYR 48 3HB TYR 48 -9.488 -14.648 -11.683 396 HD1 TYR 48 1HD TYR 48 -10.776 -11.588 -11.083 397 HD2 TYR 48 2HD TYR 48 -7.687 -13.341 -13.518 398 HE1 TYR 48 1HE TYR 48 -11.218 -9.915 -12.816 399 HE2 TYR 48 2HE TYR 48 -8.110 -11.622 -15.257 400 HH TYR 48 HH TYR 48 -10.761 -9.241 -14.952 401 H GLU 49 H GLU 49 -11.343 -15.342 -10.226 402 HA GLU 49 HA GLU 49 -10.815 -16.996 -7.803 403 1HB GLU 49 2HB GLU 49 -13.226 -15.720 -9.077 404 2HB GLU 49 3HB GLU 49 -13.465 -17.325 -8.414 405 1HG GLU 49 2HG GLU 49 -12.141 -15.196 -6.728 406 2HG GLU 49 3HG GLU 49 -13.899 -15.336 -6.837 407 H ASN 50 H ASN 50 -9.304 -17.760 -9.661 408 HA ASN 50 HA ASN 50 -8.696 -19.423 -11.118 409 1HB ASN 50 2HB ASN 50 -9.482 -20.881 -9.286 410 2HB ASN 50 3HB ASN 50 -11.112 -20.896 -9.979 411 1HD2 ASN 50 2HD2 ASN 50 -10.777 -23.293 -10.027 412 2HD2 ASN 50 1HD2 ASN 50 -9.896 -23.963 -11.391 413 H GLU 51 H GLU 51 -9.379 -17.707 -12.561 414 HA GLU 51 HA GLU 51 -11.349 -16.813 -13.835 415 1HB GLU 51 2HB GLU 51 -8.839 -16.810 -14.507 416 2HB GLU 51 3HB GLU 51 -9.272 -18.081 -15.651 417 1HG GLU 51 2HG GLU 51 -10.435 -15.255 -15.509 418 2HG GLU 51 3HG GLU 51 -9.245 -15.837 -16.676 419 H GLY 52 H GLY 52 -13.389 -17.709 -14.132 420 1HA GLY 52 2HA GLY 52 -13.728 -19.460 -16.344 421 2HA GLY 52 3HA GLY 52 -14.021 -20.308 -14.797 422 H PHE 53 H PHE 53 -15.836 -19.715 -13.559 423 HA PHE 53 HA PHE 53 -17.767 -17.829 -14.850 424 1HB PHE 53 2HB PHE 53 -19.520 -19.241 -14.337 425 2HB PHE 53 3HB PHE 53 -18.291 -20.332 -14.957 426 HD1 PHE 53 1HD PHE 53 -20.416 -19.442 -12.145 427 HD2 PHE 53 2HD PHE 53 -16.928 -21.737 -13.247 428 HE1 PHE 53 1HE PHE 53 -20.625 -20.763 -10.065 429 HE2 PHE 53 2HE PHE 53 -17.095 -22.993 -11.116 430 HZ PHE 53 HZ PHE 53 -18.963 -22.541 -9.545 431 H ARG 54 H ARG 54 -15.894 -18.337 -12.104 432 HA ARG 54 HA ARG 54 -17.853 -17.259 -10.221 433 1HB ARG 54 2HB ARG 54 -16.536 -19.184 -9.628 434 2HB ARG 54 3HB ARG 54 -15.046 -18.239 -9.731 435 1HG ARG 54 2HG ARG 54 -15.673 -16.893 -7.833 436 2HG ARG 54 3HG ARG 54 -17.370 -17.370 -7.937 437 1HD ARG 54 2HD ARG 54 -15.174 -19.370 -7.355 438 2HD ARG 54 3HD ARG 54 -16.009 -18.473 -6.082 439 HE ARG 54 HE ARG 54 -18.170 -19.343 -7.105 440 1HH1 ARG 54 1HH2 ARG 54 -15.219 -21.322 -7.097 441 2HH1 ARG 54 2HH2 ARG 54 -16.091 -22.823 -6.992 442 1HH2 ARG 54 1HH1 ARG 54 -19.274 -21.278 -6.926 443 2HH2 ARG 54 2HH1 ARG 54 -18.425 -22.799 -6.868 444 H GLU 55 H GLU 55 -17.847 -15.366 -9.250 445 HA GLU 55 HA GLU 55 -16.965 -13.230 -10.845 446 1HB GLU 55 2HB GLU 55 -19.031 -13.553 -9.202 447 2HB GLU 55 3HB GLU 55 -17.934 -12.889 -7.985 448 1HG GLU 55 2HG GLU 55 -19.378 -11.163 -8.904 449 2HG GLU 55 3HG GLU 55 -17.729 -10.811 -9.405 450 H ILE 56 H ILE 56 -15.840 -11.286 -10.032 451 HA ILE 56 HA ILE 56 -13.170 -11.617 -9.291 452 HB ILE 56 HB ILE 56 -15.126 -9.310 -8.987 453 1HG1 ILE 56 2HG1 ILE 56 -12.915 -9.494 -11.047 454 2HG1 ILE 56 3HG1 ILE 56 -14.417 -10.369 -11.331 455 1HG2 ILE 56 1HG2 ILE 56 -13.287 -8.815 -7.483 456 2HG2 ILE 56 2HG2 ILE 56 -12.092 -9.256 -8.721 457 3HG2 ILE 56 3HG2 ILE 56 -13.119 -7.819 -8.923 458 1HD1 ILE 56 1HD1 ILE 56 -15.737 -8.327 -11.126 459 2HD1 ILE 56 2HD1 ILE 56 -14.265 -7.372 -10.834 460 3HD1 ILE 56 3HD1 ILE 56 -14.506 -8.182 -12.392 461 H LYS 57 H LYS 57 -12.046 -11.680 -7.331 462 HA LYS 57 HA LYS 57 -13.633 -12.364 -4.971 463 1HB LYS 57 2HB LYS 57 -11.074 -13.044 -5.958 464 2HB LYS 57 3HB LYS 57 -10.745 -12.077 -4.517 465 1HG LYS 57 2HG LYS 57 -12.656 -14.431 -4.531 466 2HG LYS 57 3HG LYS 57 -10.921 -14.558 -4.194 467 1HD LYS 57 2HD LYS 57 -11.229 -12.895 -2.310 468 2HD LYS 57 3HD LYS 57 -12.981 -12.973 -2.593 469 1HE LYS 57 2HE LYS 57 -12.894 -15.461 -2.229 470 2HE LYS 57 3HE LYS 57 -11.154 -15.335 -1.908 471 1HZ LYS 57 1HZ LYS 57 -11.670 -13.912 -0.053 472 2HZ LYS 57 2HZ LYS 57 -13.287 -14.076 -0.337 473 3HZ LYS 57 3HZ LYS 57 -12.389 -15.387 0.099 474 H GLY 58 H GLY 58 -11.471 -9.751 -6.076 475 1HA GLY 58 2HA GLY 58 -12.770 -7.596 -5.036 476 2HA GLY 58 3HA GLY 58 -11.740 -8.126 -3.690 477 H TYR 59 H TYR 59 -10.827 -5.981 -4.131 478 HA TYR 59 HA TYR 59 -9.002 -5.718 -6.423 479 1HB TYR 59 2HB TYR 59 -9.482 -4.037 -3.944 480 2HB TYR 59 3HB TYR 59 -8.128 -3.764 -5.023 481 HD1 TYR 59 1HD TYR 59 -8.536 -3.491 -7.483 482 HD2 TYR 59 2HD TYR 59 -11.695 -3.198 -4.584 483 HE1 TYR 59 1HE TYR 59 -10.063 -2.560 -9.238 484 HE2 TYR 59 2HE TYR 59 -13.206 -2.265 -6.305 485 HH TYR 59 HH TYR 59 -13.450 -1.686 -8.525 486 H GLU 60 H GLU 60 -6.671 -5.894 -6.222 487 HA GLU 60 HA GLU 60 -5.685 -6.699 -3.594 488 1HB GLU 60 2HB GLU 60 -5.469 -8.383 -6.032 489 2HB GLU 60 3HB GLU 60 -3.932 -7.857 -5.321 490 1HG GLU 60 2HG GLU 60 -4.720 -8.650 -3.074 491 2HG GLU 60 3HG GLU 60 -6.113 -9.402 -3.881 492 H TYR 61 H TYR 61 -4.007 -5.529 -3.081 493 HA TYR 61 HA TYR 61 -2.834 -3.612 -5.066 494 1HB TYR 61 2HB TYR 61 -2.831 -3.445 -2.043 495 2HB TYR 61 3HB TYR 61 -2.365 -2.197 -3.196 496 HD1 TYR 61 1HD TYR 61 -4.974 -3.383 -1.103 497 HD2 TYR 61 2HD TYR 61 -4.256 -1.313 -4.777 498 HE1 TYR 61 1HE TYR 61 -7.270 -2.395 -0.986 499 HE2 TYR 61 2HE TYR 61 -6.448 -0.122 -4.508 500 HH TYR 61 HH TYR 61 -8.933 -1.139 -2.362 501 H GLN 62 H GLN 62 -0.722 -4.243 -5.694 502 HA GLN 62 HA GLN 62 0.694 -6.213 -3.937 503 1HB GLN 62 2HB GLN 62 0.222 -6.868 -6.321 504 2HB GLN 62 3HB GLN 62 1.164 -5.458 -6.832 505 1HG GLN 62 2HG GLN 62 3.142 -6.438 -5.528 506 2HG GLN 62 3HG GLN 62 2.156 -7.886 -5.278 507 1HE2 GLN 62 2HE2 GLN 62 3.214 -5.664 -7.943 508 2HE2 GLN 62 1HE2 GLN 62 3.470 -6.958 -9.103 509 H LEU 63 H LEU 63 2.347 -5.305 -2.706 510 HA LEU 63 HA LEU 63 3.917 -3.210 -4.027 511 1HB LEU 63 2HB LEU 63 3.820 -1.731 -2.021 512 2HB LEU 63 3HB LEU 63 2.364 -1.854 -3.011 513 HG LEU 63 HG LEU 63 1.446 -3.519 -1.283 514 1HD1 LEU 63 1HD1 LEU 63 3.621 -3.915 -0.099 515 2HD1 LEU 63 2HD1 LEU 63 3.631 -2.210 0.402 516 3HD1 LEU 63 3HD1 LEU 63 2.360 -3.308 0.981 517 1HD2 LEU 63 1HD2 LEU 63 1.956 -0.596 -0.593 518 2HD2 LEU 63 2HD2 LEU 63 0.602 -1.254 -1.541 519 3HD2 LEU 63 3HD2 LEU 63 0.755 -1.645 0.182 520 H TYR 64 H TYR 64 5.854 -2.622 -2.908 521 HA TYR 64 HA TYR 64 7.182 -5.123 -1.995 522 1HB TYR 64 2HB TYR 64 7.610 -3.095 -4.186 523 2HB TYR 64 3HB TYR 64 9.008 -3.871 -3.506 524 HD1 TYR 64 1HD TYR 64 8.489 -6.654 -3.212 525 HD2 TYR 64 2HD TYR 64 6.869 -3.992 -6.206 526 HE1 TYR 64 1HE TYR 64 8.218 -8.544 -4.763 527 HE2 TYR 64 2HE TYR 64 6.565 -5.908 -7.734 528 HH TYR 64 HH TYR 64 6.810 -8.191 -8.022 529 H VAL 65 H VAL 65 7.332 -4.624 0.149 530 HA VAL 65 HA VAL 65 8.437 -2.009 1.008 531 HB VAL 65 HB VAL 65 7.347 -4.298 2.675 532 1HG1 VAL 65 1HG1 VAL 65 8.892 -2.929 3.950 533 2HG1 VAL 65 2HG1 VAL 65 8.203 -1.427 3.295 534 3HG1 VAL 65 3HG1 VAL 65 7.260 -2.426 4.408 535 1HG2 VAL 65 1HG2 VAL 65 6.050 -1.686 1.777 536 2HG2 VAL 65 2HG2 VAL 65 5.563 -3.327 1.299 537 3HG2 VAL 65 3HG2 VAL 65 5.377 -2.808 2.977 538 H TYR 66 H TYR 66 10.631 -1.847 1.312 539 HA TYR 66 HA TYR 66 12.137 -4.277 0.852 540 1HB TYR 66 2HB TYR 66 12.513 -2.068 -0.357 541 2HB TYR 66 3HB TYR 66 13.142 -1.430 1.146 542 HD1 TYR 66 1HD TYR 66 13.613 -4.726 -0.538 543 HD2 TYR 66 2HD TYR 66 15.493 -1.155 0.944 544 HE1 TYR 66 1HE TYR 66 15.834 -5.660 -1.127 545 HE2 TYR 66 2HE TYR 66 17.722 -2.136 0.461 546 HH TYR 66 HH TYR 66 18.075 -5.498 -0.230 547 H ALA 67 H ALA 67 11.424 -5.100 2.990 548 HA ALA 67 HA ALA 67 12.498 -3.673 5.379 549 1HB ALA 67 1HB ALA 67 10.143 -4.500 5.250 550 2HB ALA 67 2HB ALA 67 10.775 -6.164 5.338 551 3HB ALA 67 3HB ALA 67 11.069 -5.017 6.658 552 H SER 68 H SER 68 13.857 -4.676 6.883 553 HA SER 68 HA SER 68 15.720 -5.724 7.527 554 1HB SER 68 2HB SER 68 14.491 -7.869 7.265 555 2HB SER 68 3HB SER 68 15.113 -8.033 5.622 556 HG SER 68 HG SER 68 16.377 -9.079 7.280 557 H ASP 69 H ASP 69 15.574 -6.695 4.151 558 HA ASP 69 HA ASP 69 16.844 -4.624 2.951 559 1HB ASP 69 2HB ASP 69 18.910 -5.526 4.242 560 2HB ASP 69 3HB ASP 69 18.757 -6.988 3.269 561 H LYS 70 H LYS 70 14.576 -6.512 2.637 562 HA LYS 70 HA LYS 70 15.273 -7.865 0.080 563 1HB LYS 70 2HB LYS 70 14.125 -9.115 2.608 564 2HB LYS 70 3HB LYS 70 13.588 -9.642 1.020 565 1HG LYS 70 2HG LYS 70 15.208 -11.163 1.500 566 2HG LYS 70 3HG LYS 70 16.012 -10.058 0.382 567 1HD LYS 70 2HD LYS 70 17.182 -8.985 2.284 568 2HD LYS 70 3HD LYS 70 16.271 -9.989 3.431 569 1HE LYS 70 2HE LYS 70 17.296 -12.029 2.414 570 2HE LYS 70 3HE LYS 70 18.195 -11.004 1.279 571 1HZ LYS 70 1HZ LYS 70 19.296 -10.006 3.141 572 2HZ LYS 70 2HZ LYS 70 18.454 -10.949 4.201 573 3HZ LYS 70 3HZ LYS 70 19.515 -11.640 3.147 574 H LEU 71 H LEU 71 13.603 -7.931 -1.352 575 HA LEU 71 HA LEU 71 11.374 -6.101 -0.898 576 1HB LEU 71 2HB LEU 71 12.912 -7.036 -3.138 577 2HB LEU 71 3HB LEU 71 11.274 -7.636 -3.372 578 HG LEU 71 HG LEU 71 10.385 -5.407 -3.079 579 1HD1 LEU 71 1HD1 LEU 71 11.892 -4.145 -1.737 580 2HD1 LEU 71 2HD1 LEU 71 13.274 -4.532 -2.815 581 3HD1 LEU 71 3HD1 LEU 71 11.990 -3.430 -3.333 582 1HD2 LEU 71 1HD2 LEU 71 12.652 -5.499 -5.102 583 2HD2 LEU 71 2HD2 LEU 71 11.077 -6.302 -5.323 584 3HD2 LEU 71 3HD2 LEU 71 11.173 -4.527 -5.241 585 H PHE 72 H PHE 72 10.506 -7.212 0.920 586 HA PHE 72 HA PHE 72 9.262 -9.830 0.638 587 1HB PHE 72 2HB PHE 72 8.861 -7.438 2.471 588 2HB PHE 72 3HB PHE 72 7.885 -8.876 2.593 589 HD1 PHE 72 1HD PHE 72 11.017 -7.430 3.484 590 HD2 PHE 72 2HD PHE 72 8.990 -11.174 2.952 591 HE1 PHE 72 1HE PHE 72 12.673 -8.536 5.013 592 HE2 PHE 72 2HE PHE 72 10.680 -12.300 4.378 593 HZ PHE 72 HZ PHE 72 12.514 -10.984 5.415 594 H ARG 73 H ARG 73 7.505 -10.248 -0.734 595 HA ARG 73 HA ARG 73 6.377 -7.953 -2.141 596 1HB ARG 73 2HB ARG 73 7.048 -10.093 -3.336 597 2HB ARG 73 3HB ARG 73 5.695 -10.894 -2.511 598 1HG ARG 73 2HG ARG 73 4.204 -9.005 -3.436 599 2HG ARG 73 3HG ARG 73 5.578 -8.481 -4.382 600 1HD ARG 73 2HD ARG 73 4.979 -9.928 -5.994 601 2HD ARG 73 3HD ARG 73 5.369 -11.274 -4.904 602 HE ARG 73 HE ARG 73 2.783 -10.294 -4.244 603 1HH1 ARG 73 1HH2 ARG 73 4.405 -12.067 -6.823 604 2HH1 ARG 73 2HH2 ARG 73 2.937 -12.744 -7.477 605 1HH2 ARG 73 1HH1 ARG 73 0.847 -11.019 -5.182 606 2HH2 ARG 73 2HH1 ARG 73 0.876 -12.195 -6.470 607 H ALA 74 H ALA 74 4.718 -6.954 -1.043 608 HA ALA 74 HA ALA 74 3.118 -8.628 0.826 609 1HB ALA 74 1HB ALA 74 4.492 -7.147 2.058 610 2HB ALA 74 2HB ALA 74 4.032 -5.764 1.057 611 3HB ALA 74 3HB ALA 74 2.827 -6.547 2.095 612 H ASP 75 H ASP 75 1.143 -9.037 0.037 613 HA ASP 75 HA ASP 75 -0.043 -7.203 -1.970 614 1HB ASP 75 2HB ASP 75 -0.461 -10.153 -1.370 615 2HB ASP 75 3HB ASP 75 -1.534 -9.199 -2.405 616 H ILE 76 H ILE 76 -2.210 -6.451 -1.515 617 HA ILE 76 HA ILE 76 -3.371 -7.305 1.123 618 HB ILE 76 HB ILE 76 -3.297 -4.447 0.079 619 1HG1 ILE 76 2HG1 ILE 76 -2.023 -4.248 2.411 620 2HG1 ILE 76 3HG1 ILE 76 -1.583 -5.914 2.090 621 1HG2 ILE 76 1HG2 ILE 76 -5.351 -5.017 1.321 622 2HG2 ILE 76 2HG2 ILE 76 -4.383 -5.741 2.618 623 3HG2 ILE 76 3HG2 ILE 76 -4.332 -3.994 2.332 624 1HD1 ILE 76 1HD1 ILE 76 -0.733 -4.973 -0.254 625 2HD1 ILE 76 2HD1 ILE 76 -0.936 -3.401 0.501 626 3HD1 ILE 76 3HD1 ILE 76 0.191 -4.589 1.185 627 H SER 77 H SER 77 -5.274 -8.216 0.738 628 HA SER 77 HA SER 77 -6.545 -7.814 -1.913 629 1HB SER 77 2HB SER 77 -5.941 -10.144 -1.173 630 2HB SER 77 3HB SER 77 -7.124 -9.948 0.134 631 HG SER 77 HG SER 77 -8.731 -9.644 -1.502 632 H GLU 78 H GLU 78 -8.809 -7.339 -1.999 633 HA GLU 78 HA GLU 78 -9.997 -6.457 0.541 634 1HB GLU 78 2HB GLU 78 -10.310 -5.328 -2.294 635 2HB GLU 78 3HB GLU 78 -11.315 -4.832 -0.940 636 1HG GLU 78 2HG GLU 78 -8.991 -4.342 0.245 637 2HG GLU 78 3HG GLU 78 -8.410 -4.305 -1.424 638 H ASP 79 H ASP 79 -12.390 -6.218 0.241 639 HA ASP 79 HA ASP 79 -13.521 -8.814 -0.669 640 1HB ASP 79 2HB ASP 79 -13.930 -7.841 1.674 641 2HB ASP 79 3HB ASP 79 -14.853 -6.551 0.912 642 H TYR 80 H TYR 80 -13.999 -8.623 -2.933 643 HA TYR 80 HA TYR 80 -14.812 -6.423 -4.336 644 1HB TYR 80 2HB TYR 80 -14.563 -8.806 -5.241 645 2HB TYR 80 3HB TYR 80 -16.164 -9.140 -4.621 646 HD1 TYR 80 1HD TYR 80 -17.785 -9.122 -6.349 647 HD2 TYR 80 2HD TYR 80 -14.417 -6.436 -6.625 648 HE1 TYR 80 1HE TYR 80 -18.628 -8.266 -8.521 649 HE2 TYR 80 2HE TYR 80 -15.266 -5.584 -8.772 650 HH TYR 80 HH TYR 80 -16.925 -5.722 -10.362 651 H LYS 81 H LYS 81 -16.853 -8.126 -1.970 652 HA LYS 81 HA LYS 81 -19.380 -7.151 -2.607 653 1HB LYS 81 2HB LYS 81 -18.739 -8.684 -0.693 654 2HB LYS 81 3HB LYS 81 -18.103 -7.268 0.161 655 1HG LYS 81 2HG LYS 81 -20.255 -7.875 1.018 656 2HG LYS 81 3HG LYS 81 -20.348 -6.275 0.268 657 1HD LYS 81 2HD LYS 81 -21.497 -7.131 -1.655 658 2HD LYS 81 3HD LYS 81 -21.095 -8.815 -1.245 659 1HE LYS 81 2HE LYS 81 -22.530 -8.707 0.757 660 2HE LYS 81 3HE LYS 81 -22.899 -7.001 0.431 661 1HZ LYS 81 1HZ LYS 81 -23.948 -7.670 -1.592 662 2HZ LYS 81 2HZ LYS 81 -23.565 -9.253 -1.334 663 3HZ LYS 81 3HZ LYS 81 -24.614 -8.484 -0.323 664 H THR 82 H THR 82 -16.615 -5.489 -1.116 665 HA THR 82 HA THR 82 -17.852 -2.869 -1.488 666 HB THR 82 HB THR 82 -17.078 -3.901 1.293 667 HG1 THR 82 1HG THR 82 -19.341 -3.706 1.666 668 1HG2 THR 82 1HG2 THR 82 -16.817 -1.432 0.963 669 2HG2 THR 82 2HG2 THR 82 -18.448 -1.394 0.260 670 3HG2 THR 82 3HG2 THR 82 -18.218 -1.812 1.987 671 H ARG 83 H ARG 83 -15.411 -2.955 0.939 672 HA ARG 83 HA ARG 83 -13.036 -3.014 -0.635 673 1HB ARG 83 2HB ARG 83 -14.286 -0.412 0.147 674 2HB ARG 83 3HB ARG 83 -12.543 -0.586 0.261 675 1HG ARG 83 2HG ARG 83 -12.631 -1.399 -2.213 676 2HG ARG 83 3HG ARG 83 -14.238 -0.655 -2.232 677 1HD ARG 83 2HD ARG 83 -12.554 0.940 -3.014 678 2HD ARG 83 3HD ARG 83 -13.238 1.484 -1.464 679 HE ARG 83 HE ARG 83 -10.872 -0.123 -1.076 680 1HH1 ARG 83 1HH2 ARG 83 -11.864 3.124 -2.050 681 2HH1 ARG 83 2HH2 ARG 83 -10.455 3.908 -1.384 682 1HH2 ARG 83 1HH1 ARG 83 -9.028 0.877 -0.220 683 2HH2 ARG 83 2HH1 ARG 83 -8.804 2.601 -0.335 684 H GLY 84 H GLY 84 -14.025 -4.591 1.418 685 1HA GLY 84 2HA GLY 84 -12.942 -3.790 4.002 686 2HA GLY 84 3HA GLY 84 -13.346 -5.440 3.470 687 H ARG 85 H ARG 85 -10.858 -5.048 4.794 688 HA ARG 85 HA ARG 85 -8.893 -5.387 2.571 689 1HB ARG 85 2HB ARG 85 -7.258 -4.548 4.504 690 2HB ARG 85 3HB ARG 85 -8.007 -3.481 3.329 691 1HG ARG 85 2HG ARG 85 -8.240 -2.328 5.309 692 2HG ARG 85 3HG ARG 85 -9.840 -2.994 5.069 693 1HD ARG 85 2HD ARG 85 -8.748 -5.004 6.561 694 2HD ARG 85 3HD ARG 85 -7.684 -3.672 7.047 695 HE ARG 85 HE ARG 85 -10.320 -2.755 7.315 696 1HH1 ARG 85 1HH2 ARG 85 -8.204 -5.236 8.671 697 2HH1 ARG 85 2HH2 ARG 85 -9.022 -5.318 10.205 698 1HH2 ARG 85 1HH1 ARG 85 -11.435 -2.869 9.322 699 2HH2 ARG 85 2HH1 ARG 85 -10.895 -3.947 10.579 700 H LYS 86 H LYS 86 -7.492 -7.135 2.776 701 HA LYS 86 HA LYS 86 -7.566 -8.602 5.328 702 1HB LYS 86 2HB LYS 86 -8.049 -9.718 2.559 703 2HB LYS 86 3HB LYS 86 -7.363 -10.745 3.818 704 1HG LYS 86 2HG LYS 86 -9.988 -9.262 4.260 705 2HG LYS 86 3HG LYS 86 -9.891 -10.803 3.419 706 1HD LYS 86 2HD LYS 86 -10.460 -11.324 5.618 707 2HD LYS 86 3HD LYS 86 -8.789 -11.849 5.412 708 1HE LYS 86 2HE LYS 86 -7.973 -10.055 6.819 709 2HE LYS 86 3HE LYS 86 -9.515 -9.176 6.709 710 1HZ LYS 86 1HZ LYS 86 -10.507 -10.979 7.941 711 2HZ LYS 86 2HZ LYS 86 -9.051 -11.744 8.050 712 3HZ LYS 86 3HZ LYS 86 -9.270 -10.282 8.777 713 H LEU 87 H LEU 87 -5.774 -9.549 5.952 714 HA LEU 87 HA LEU 87 -3.305 -8.382 5.075 715 1HB LEU 87 2HB LEU 87 -4.140 -8.990 7.399 716 2HB LEU 87 3HB LEU 87 -3.789 -10.677 7.040 717 HG LEU 87 HG LEU 87 -1.808 -8.360 7.054 718 1HD1 LEU 87 1HD1 LEU 87 -1.094 -9.147 9.200 719 2HD1 LEU 87 2HD1 LEU 87 -2.857 -9.089 9.294 720 3HD1 LEU 87 3HD1 LEU 87 -2.040 -10.641 9.063 721 1HD2 LEU 87 1HD2 LEU 87 -1.349 -11.382 6.817 722 2HD2 LEU 87 2HD2 LEU 87 -0.955 -10.166 5.591 723 3HD2 LEU 87 3HD2 LEU 87 -0.068 -10.192 7.119 724 H LEU 88 H LEU 88 -2.852 -9.065 2.977 725 HA LEU 88 HA LEU 88 -2.139 -11.946 2.617 726 1HB LEU 88 2HB LEU 88 -3.679 -10.112 0.981 727 2HB LEU 88 3HB LEU 88 -2.178 -10.426 0.142 728 HG LEU 88 HG LEU 88 -3.918 -11.917 -0.576 729 1HD1 LEU 88 1HD1 LEU 88 -1.586 -12.721 -0.603 730 2HD1 LEU 88 2HD1 LEU 88 -1.814 -13.474 0.988 731 3HD1 LEU 88 3HD1 LEU 88 -2.753 -14.041 -0.403 732 1HD2 LEU 88 1HD2 LEU 88 -4.045 -13.057 2.249 733 2HD2 LEU 88 2HD2 LEU 88 -5.247 -11.975 1.518 734 3HD2 LEU 88 3HD2 LEU 88 -4.962 -13.583 0.829 735 H ARG 89 H ARG 89 -0.845 -9.246 3.668 736 HA ARG 89 HA ARG 89 1.333 -8.796 1.954 737 1HB ARG 89 2HB ARG 89 2.200 -7.490 4.044 738 2HB ARG 89 3HB ARG 89 0.834 -6.911 3.075 739 1HG ARG 89 2HG ARG 89 -0.753 -7.678 4.738 740 2HG ARG 89 3HG ARG 89 0.602 -8.325 5.706 741 1HD ARG 89 2HD ARG 89 -0.164 -6.172 6.547 742 2HD ARG 89 3HD ARG 89 1.494 -6.055 5.968 743 HE ARG 89 HE ARG 89 -0.905 -4.671 4.973 744 1HH1 ARG 89 1HH2 ARG 89 2.424 -5.530 4.138 745 2HH1 ARG 89 2HH2 ARG 89 2.616 -4.187 3.042 746 1HH2 ARG 89 1HH1 ARG 89 -0.561 -2.840 3.715 747 2HH2 ARG 89 2HH1 ARG 89 0.890 -2.675 2.784 748 H PHE 90 H PHE 90 3.684 -8.744 2.943 749 HA PHE 90 HA PHE 90 5.498 -9.941 3.536 750 1HB PHE 90 2HB PHE 90 3.457 -10.552 5.634 751 2HB PHE 90 3HB PHE 90 4.864 -11.596 5.580 752 HD1 PHE 90 1HD PHE 90 3.648 -8.257 6.342 753 HD2 PHE 90 2HD PHE 90 7.111 -10.798 5.960 754 HE1 PHE 90 1HE PHE 90 5.077 -6.507 7.457 755 HE2 PHE 90 2HE PHE 90 8.495 -9.123 7.124 756 HZ PHE 90 HZ PHE 90 7.533 -6.942 7.736 757 H ASN 91 H ASN 91 5.027 -10.876 1.267 758 HA ASN 91 HA ASN 91 5.073 -13.838 1.502 759 1HB ASN 91 2HB ASN 91 2.941 -12.535 0.504 760 2HB ASN 91 3HB ASN 91 3.952 -12.512 -0.943 761 1HD2 ASN 91 2HD2 ASN 91 1.489 -14.172 0.400 762 2HD2 ASN 91 1HD2 ASN 91 1.861 -15.794 -0.157 763 H GLY 92 H GLY 92 5.970 -14.706 -0.703 764 1HA GLY 92 2HA GLY 92 7.738 -14.749 -2.219 765 2HA GLY 92 3HA GLY 92 8.262 -13.148 -1.712 766 HA PRO 93 HA PRO 93 9.686 -12.126 -0.204 767 1HB PRO 93 2HB PRO 93 12.387 -11.920 0.052 768 2HB PRO 93 3HB PRO 93 11.317 -12.167 1.460 769 1HG PRO 93 2HG PRO 93 12.828 -14.294 -0.093 770 2HG PRO 93 3HG PRO 93 12.837 -14.031 1.678 771 1HD PRO 93 2HD PRO 93 11.192 -15.867 0.522 772 2HD PRO 93 3HD PRO 93 10.605 -14.871 1.883 773 H VAL 94 H VAL 94 10.783 -10.831 -1.908 774 HA VAL 94 HA VAL 94 11.389 -12.439 -4.338 775 HB VAL 94 HB VAL 94 9.844 -9.896 -3.833 776 1HG1 VAL 94 1HG1 VAL 94 11.282 -9.193 -5.576 777 2HG1 VAL 94 2HG1 VAL 94 11.074 -10.732 -6.462 778 3HG1 VAL 94 3HG1 VAL 94 9.720 -9.593 -6.295 779 1HG2 VAL 94 1HG2 VAL 94 9.275 -12.421 -5.437 780 2HG2 VAL 94 2HG2 VAL 94 8.624 -12.039 -3.832 781 3HG2 VAL 94 3HG2 VAL 94 8.171 -11.052 -5.228 782 HA PRO 95 HA PRO 95 15.329 -10.263 -3.793 783 1HB PRO 95 2HB PRO 95 16.650 -11.114 -6.031 784 2HB PRO 95 3HB PRO 95 16.348 -12.191 -4.637 785 1HG PRO 95 2HG PRO 95 14.729 -11.967 -7.187 786 2HG PRO 95 3HG PRO 95 15.346 -13.456 -6.413 787 1HD PRO 95 2HD PRO 95 12.797 -12.543 -6.057 788 2HD PRO 95 3HD PRO 95 13.676 -13.362 -4.730 789 HA PRO 96 HA PRO 96 14.313 -6.685 -6.135 790 1HB PRO 96 2HB PRO 96 16.726 -5.435 -6.622 791 2HB PRO 96 3HB PRO 96 15.905 -5.483 -5.037 792 1HG PRO 96 2HG PRO 96 18.101 -7.312 -6.036 793 2HG PRO 96 3HG PRO 96 18.015 -6.461 -4.465 794 1HD PRO 96 2HD PRO 96 17.280 -9.059 -4.700 795 2HD PRO 96 3HD PRO 96 16.326 -7.950 -3.670 796 HA PRO 97 HA PRO 97 14.949 -8.560 -10.223 797 1HB PRO 97 2HB PRO 97 12.985 -7.315 -11.641 798 2HB PRO 97 3HB PRO 97 12.635 -8.554 -10.399 799 1HG PRO 97 2HG PRO 97 12.576 -5.542 -10.062 800 2HG PRO 97 3HG PRO 97 11.316 -6.720 -9.589 801 1HD PRO 97 2HD PRO 97 13.162 -5.765 -7.826 802 2HD PRO 97 3HD PRO 97 12.585 -7.457 -7.735 Start of MODEL 9 1 1H MET 1 1H MET 1 -13.013 -6.391 -14.787 2 2H MET 1 2H MET 1 -11.596 -6.519 -13.969 3 3H MET 1 3H MET 1 -12.848 -5.677 -13.313 4 HA MET 1 HA MET 1 -12.797 -4.090 -15.043 5 1HB MET 1 2HB MET 1 -11.411 -3.796 -12.915 6 2HB MET 1 3HB MET 1 -10.003 -4.295 -13.869 7 1HG MET 1 2HG MET 1 -10.015 -1.944 -13.879 8 2HG MET 1 3HG MET 1 -10.517 -2.434 -15.493 9 1HE MET 1 1HE MET 1 -10.709 0.493 -14.376 10 2HE MET 1 2HE MET 1 -11.273 0.013 -15.998 11 3HE MET 1 3HE MET 1 -12.333 0.965 -14.931 12 H GLY 2 H GLY 2 -9.921 -6.335 -15.338 13 1HA GLY 2 2HA GLY 2 -10.079 -6.973 -17.895 14 2HA GLY 2 3HA GLY 2 -9.417 -5.321 -18.048 15 H GLU 3 H GLU 3 -7.513 -4.930 -16.402 16 HA GLU 3 HA GLU 3 -5.667 -7.255 -16.211 17 1HB GLU 3 2HB GLU 3 -3.912 -5.997 -17.406 18 2HB GLU 3 3HB GLU 3 -5.273 -6.357 -18.447 19 1HG GLU 3 2HG GLU 3 -5.564 -3.714 -17.118 20 2HG GLU 3 3HG GLU 3 -4.088 -3.852 -18.060 21 H TRP 4 H TRP 4 -3.442 -5.887 -15.464 22 HA TRP 4 HA TRP 4 -4.101 -5.013 -12.782 23 1HB TRP 4 2HB TRP 4 -1.503 -4.932 -14.351 24 2HB TRP 4 3HB TRP 4 -1.683 -4.498 -12.680 25 HD1 TRP 4 HD TRP 4 -2.728 -7.742 -14.615 26 HE1 TRP 4 1HE TRP 4 -1.980 -9.743 -13.238 27 HE3 TRP 4 3HE TRP 4 -0.628 -5.255 -10.688 28 HZ2 TRP 4 2HZ TRP 4 -0.670 -10.232 -10.683 29 HZ3 TRP 4 3HZ TRP 4 0.278 -6.499 -8.745 30 HH2 TRP 4 HH TRP 4 0.300 -8.991 -8.747 31 H GLU 5 H GLU 5 -3.477 -2.877 -11.988 32 HA GLU 5 HA GLU 5 -3.856 -0.671 -13.955 33 1HB GLU 5 2HB GLU 5 -5.367 -1.100 -11.367 34 2HB GLU 5 3HB GLU 5 -5.504 0.295 -12.409 35 1HG GLU 5 2HG GLU 5 -6.543 -1.022 -14.177 36 2HG GLU 5 3HG GLU 5 -6.241 -2.533 -13.311 37 H ILE 6 H ILE 6 -3.254 1.355 -13.076 38 HA ILE 6 HA ILE 6 -0.810 1.187 -11.569 39 HB ILE 6 HB ILE 6 -0.595 3.566 -11.950 40 1HG1 ILE 6 2HG1 ILE 6 -2.564 4.459 -13.608 41 2HG1 ILE 6 3HG1 ILE 6 -3.541 3.462 -12.529 42 1HG2 ILE 6 1HG2 ILE 6 -0.027 1.955 -13.737 43 2HG2 ILE 6 2HG2 ILE 6 -1.636 2.189 -14.455 44 3HG2 ILE 6 3HG2 ILE 6 -0.496 3.544 -14.358 45 1HD1 ILE 6 1HD1 ILE 6 -2.616 4.748 -10.580 46 2HD1 ILE 6 2HD1 ILE 6 -1.637 5.709 -11.710 47 3HD1 ILE 6 3HD1 ILE 6 -3.406 5.801 -11.764 48 H ILE 7 H ILE 7 -0.329 2.525 -9.723 49 HA ILE 7 HA ILE 7 -2.437 2.377 -7.638 50 HB ILE 7 HB ILE 7 -0.284 1.030 -7.616 51 1HG1 ILE 7 2HG1 ILE 7 -1.376 1.044 -5.605 52 2HG1 ILE 7 3HG1 ILE 7 0.312 1.338 -5.269 53 1HG2 ILE 7 1HG2 ILE 7 1.255 2.699 -8.471 54 2HG2 ILE 7 2HG2 ILE 7 1.057 3.669 -6.990 55 3HG2 ILE 7 3HG2 ILE 7 1.742 2.050 -6.896 56 1HD1 ILE 7 1HD1 ILE 7 -0.190 3.805 -5.025 57 2HD1 ILE 7 2HD1 ILE 7 -1.917 3.387 -5.172 58 3HD1 ILE 7 3HD1 ILE 7 -0.977 2.745 -3.832 59 H ASP 8 H ASP 8 -3.086 4.343 -6.690 60 HA ASP 8 HA ASP 8 -1.732 6.845 -7.617 61 1HB ASP 8 2HB ASP 8 -3.831 7.995 -7.217 62 2HB ASP 8 3HB ASP 8 -4.018 6.705 -8.411 63 H ILE 9 H ILE 9 -1.412 8.512 -6.100 64 HA ILE 9 HA ILE 9 -0.651 7.534 -3.458 65 HB ILE 9 HB ILE 9 -0.577 10.348 -4.594 66 1HG1 ILE 9 2HG1 ILE 9 0.724 8.910 -6.093 67 2HG1 ILE 9 3HG1 ILE 9 1.792 9.939 -5.155 68 1HG2 ILE 9 1HG2 ILE 9 -0.233 10.559 -2.268 69 2HG2 ILE 9 2HG2 ILE 9 0.810 9.119 -2.197 70 3HG2 ILE 9 3HG2 ILE 9 1.372 10.610 -2.979 71 1HD1 ILE 9 1HD1 ILE 9 2.260 8.033 -3.601 72 2HD1 ILE 9 2HD1 ILE 9 1.220 6.991 -4.604 73 3HD1 ILE 9 3HD1 ILE 9 2.700 7.686 -5.281 74 H GLY 10 H GLY 10 -1.282 8.747 -1.509 75 1HA GLY 10 2HA GLY 10 -2.860 10.123 -0.335 76 2HA GLY 10 3HA GLY 10 -4.095 9.740 -1.530 77 HA PRO 11 HA PRO 11 -4.770 6.888 2.018 78 1HB PRO 11 2HB PRO 11 -7.444 6.497 1.800 79 2HB PRO 11 3HB PRO 11 -6.772 8.084 2.258 80 1HG PRO 11 2HG PRO 11 -7.610 7.191 -0.519 81 2HG PRO 11 3HG PRO 11 -8.129 8.664 0.350 82 1HD PRO 11 2HD PRO 11 -6.070 8.670 -1.438 83 2HD PRO 11 3HD PRO 11 -6.018 9.695 0.030 84 H PHE 12 H PHE 12 -3.323 5.674 0.280 85 HA PHE 12 HA PHE 12 -4.620 3.133 -0.388 86 1HB PHE 12 2HB PHE 12 -5.121 4.715 -2.218 87 2HB PHE 12 3HB PHE 12 -3.412 4.962 -2.506 88 HD1 PHE 12 1HD PHE 12 -3.235 1.547 -2.001 89 HD2 PHE 12 2HD PHE 12 -5.298 4.318 -4.594 90 HE1 PHE 12 1HE PHE 12 -2.939 0.018 -3.871 91 HE2 PHE 12 2HE PHE 12 -5.114 2.691 -6.458 92 HZ PHE 12 HZ PHE 12 -3.817 0.597 -6.133 93 H THR 13 H THR 13 -1.565 4.608 -1.666 94 HA THR 13 HA THR 13 -0.068 2.328 -0.882 95 HB THR 13 HB THR 13 0.621 3.826 -2.670 96 HG1 THR 13 1HG THR 13 2.717 3.966 -0.865 97 1HG2 THR 13 1HG2 THR 13 0.085 6.043 -1.654 98 2HG2 THR 13 2HG2 THR 13 1.474 5.841 -0.561 99 3HG2 THR 13 3HG2 THR 13 1.729 5.928 -2.306 100 H GLN 14 H GLN 14 -0.556 5.502 0.717 101 HA GLN 14 HA GLN 14 1.044 4.899 3.012 102 1HB GLN 14 2HB GLN 14 -1.001 6.947 2.209 103 2HB GLN 14 3HB GLN 14 -0.848 6.638 3.921 104 1HG GLN 14 2HG GLN 14 0.617 8.454 3.428 105 2HG GLN 14 3HG GLN 14 1.625 7.050 3.772 106 1HE2 GLN 14 2HE2 GLN 14 0.083 8.823 1.033 107 2HE2 GLN 14 1HE2 GLN 14 1.422 8.575 -0.077 108 H ASN 15 H ASN 15 -2.461 4.530 2.345 109 HA ASN 15 HA ASN 15 -3.290 3.700 4.883 110 1HB ASN 15 2HB ASN 15 -4.801 4.147 2.956 111 2HB ASN 15 3HB ASN 15 -4.287 2.651 2.191 112 1HD2 ASN 15 2HD2 ASN 15 -6.125 4.000 4.927 113 2HD2 ASN 15 1HD2 ASN 15 -6.897 2.479 5.339 114 H LEU 16 H LEU 16 -2.214 1.702 2.174 115 HA LEU 16 HA LEU 16 -2.264 -0.857 3.583 116 1HB LEU 16 2HB LEU 16 -0.812 0.031 1.060 117 2HB LEU 16 3HB LEU 16 -0.998 -1.629 1.640 118 HG LEU 16 HG LEU 16 -3.280 0.194 0.703 119 1HD1 LEU 16 1HD1 LEU 16 -1.819 -0.687 -1.074 120 2HD1 LEU 16 2HD1 LEU 16 -2.110 -2.338 -0.482 121 3HD1 LEU 16 3HD1 LEU 16 -3.454 -1.360 -1.117 122 1HD2 LEU 16 1HD2 LEU 16 -3.336 -2.579 1.895 123 2HD2 LEU 16 2HD2 LEU 16 -4.210 -1.136 2.450 124 3HD2 LEU 16 3HD2 LEU 16 -4.654 -1.894 0.917 125 H ALA 17 H ALA 17 0.406 1.543 2.961 126 HA ALA 17 HA ALA 17 2.444 -0.099 4.070 127 1HB ALA 17 1HB ALA 17 2.891 1.930 2.779 128 2HB ALA 17 2HB ALA 17 2.147 2.936 4.038 129 3HB ALA 17 3HB ALA 17 3.644 2.044 4.385 130 H LYS 18 H LYS 18 0.520 2.512 5.631 131 HA LYS 18 HA LYS 18 1.409 2.075 8.225 132 1HB LYS 18 2HB LYS 18 -0.560 3.722 6.961 133 2HB LYS 18 3HB LYS 18 -1.416 2.867 8.233 134 1HG LYS 18 2HG LYS 18 1.172 4.444 8.572 135 2HG LYS 18 3HG LYS 18 -0.455 5.032 8.958 136 1HD LYS 18 2HD LYS 18 -0.758 3.162 10.574 137 2HD LYS 18 3HD LYS 18 0.900 2.624 10.293 138 1HE LYS 18 2HE LYS 18 0.111 5.374 11.370 139 2HE LYS 18 3HE LYS 18 0.696 4.015 12.341 140 1HZ LYS 18 1HZ LYS 18 2.738 4.077 11.103 141 2HZ LYS 18 2HZ LYS 18 2.208 5.362 10.216 142 3HZ LYS 18 3HZ LYS 18 2.448 5.523 11.837 143 H PHE 19 H PHE 19 -1.489 0.693 6.615 144 HA PHE 19 HA PHE 19 -2.509 -0.895 8.637 145 1HB PHE 19 2HB PHE 19 -3.518 -0.626 6.400 146 2HB PHE 19 3HB PHE 19 -2.208 -1.559 5.704 147 HD1 PHE 19 1HD PHE 19 -3.202 -3.359 4.709 148 HD2 PHE 19 2HD PHE 19 -4.457 -2.275 8.677 149 HE1 PHE 19 1HE PHE 19 -4.633 -5.410 4.814 150 HE2 PHE 19 2HE PHE 19 -5.945 -4.256 8.744 151 HZ PHE 19 HZ PHE 19 -6.004 -5.852 6.818 152 H ALA 20 H ALA 20 0.036 -1.871 6.263 153 HA ALA 20 HA ALA 20 0.525 -4.407 7.323 154 1HB ALA 20 1HB ALA 20 1.468 -3.514 5.187 155 2HB ALA 20 2HB ALA 20 2.740 -2.738 6.160 156 3HB ALA 20 3HB ALA 20 2.523 -4.502 6.187 157 H VAL 21 H VAL 21 2.325 -1.408 8.237 158 HA VAL 21 HA VAL 21 3.930 -2.829 10.163 159 HB VAL 21 HB VAL 21 3.318 0.153 9.881 160 1HG1 VAL 21 1HG1 VAL 21 4.210 -0.292 12.147 161 2HG1 VAL 21 2HG1 VAL 21 5.516 -1.279 11.460 162 3HG1 VAL 21 3HG1 VAL 21 5.458 0.467 11.156 163 1HG2 VAL 21 1HG2 VAL 21 5.740 -1.440 8.939 164 2HG2 VAL 21 2HG2 VAL 21 4.452 -0.819 7.880 165 3HG2 VAL 21 3HG2 VAL 21 5.493 0.302 8.764 166 H ASP 22 H ASP 22 1.080 -0.692 10.511 167 HA ASP 22 HA ASP 22 0.884 -0.666 13.337 168 1HB ASP 22 2HB ASP 22 -0.323 0.929 11.931 169 2HB ASP 22 3HB ASP 22 -1.255 -0.377 11.178 170 H GLU 23 H GLU 23 -0.843 -2.697 10.917 171 HA GLU 23 HA GLU 23 -2.308 -4.115 12.884 172 1HB GLU 23 2HB GLU 23 -2.750 -3.755 10.412 173 2HB GLU 23 3HB GLU 23 -1.572 -5.026 10.080 174 1HG GLU 23 2HG GLU 23 -3.952 -5.319 11.952 175 2HG GLU 23 3HG GLU 23 -4.103 -5.585 10.213 176 H GLU 24 H GLU 24 0.738 -4.808 11.103 177 HA GLU 24 HA GLU 24 1.296 -7.298 12.356 178 1HB GLU 24 2HB GLU 24 2.748 -6.563 10.620 179 2HB GLU 24 3HB GLU 24 3.247 -5.118 11.492 180 1HG GLU 24 2HG GLU 24 3.675 -7.895 12.661 181 2HG GLU 24 3HG GLU 24 4.802 -7.190 11.505 182 H ASN 25 H ASN 25 2.134 -3.960 13.554 183 HA ASN 25 HA ASN 25 3.276 -4.767 15.987 184 1HB ASN 25 2HB ASN 25 2.113 -2.256 14.858 185 2HB ASN 25 3HB ASN 25 2.047 -2.379 16.602 186 1HD2 ASN 25 2HD2 ASN 25 4.482 -3.284 14.049 187 2HD2 ASN 25 1HD2 ASN 25 5.810 -2.506 14.894 188 H LYS 26 H LYS 26 -0.151 -4.177 15.234 189 HA LYS 26 HA LYS 26 -1.207 -4.492 17.823 190 1HB LYS 26 2HB LYS 26 -2.399 -3.583 15.939 191 2HB LYS 26 3HB LYS 26 -2.396 -5.121 15.093 192 1HG LYS 26 2HG LYS 26 -3.777 -4.767 17.781 193 2HG LYS 26 3HG LYS 26 -4.527 -4.342 16.237 194 1HD LYS 26 2HD LYS 26 -3.944 -6.753 15.462 195 2HD LYS 26 3HD LYS 26 -3.662 -7.090 17.177 196 1HE LYS 26 2HE LYS 26 -5.889 -7.763 16.717 197 2HE LYS 26 3HE LYS 26 -6.011 -6.263 17.652 198 1HZ LYS 26 1HZ LYS 26 -6.382 -5.107 15.575 199 2HZ LYS 26 2HZ LYS 26 -6.229 -6.511 14.725 200 3HZ LYS 26 3HZ LYS 26 -7.489 -6.312 15.768 201 H ILE 27 H ILE 27 -0.297 -6.996 15.422 202 HA ILE 27 HA ILE 27 -1.290 -9.137 17.243 203 HB ILE 27 HB ILE 27 -0.127 -9.246 14.444 204 1HG1 ILE 27 2HG1 ILE 27 -2.357 -8.182 14.513 205 2HG1 ILE 27 3HG1 ILE 27 -2.333 -9.711 13.647 206 1HG2 ILE 27 1HG2 ILE 27 0.354 -11.328 15.574 207 2HG2 ILE 27 2HG2 ILE 27 -1.292 -11.447 16.203 208 3HG2 ILE 27 3HG2 ILE 27 -0.994 -11.596 14.454 209 1HD1 ILE 27 1HD1 ILE 27 -3.399 -10.871 15.533 210 2HD1 ILE 27 2HD1 ILE 27 -3.374 -9.379 16.498 211 3HD1 ILE 27 3HD1 ILE 27 -4.354 -9.473 15.028 212 H GLY 28 H GLY 28 1.761 -8.379 15.560 213 1HA GLY 28 2HA GLY 28 3.935 -8.554 16.259 214 2HA GLY 28 3HA GLY 28 3.410 -9.213 17.814 215 H GLN 29 H GLN 29 2.706 -10.388 14.498 216 HA GLN 29 HA GLN 29 3.447 -13.084 15.349 217 1HB GLN 29 2HB GLN 29 1.411 -12.282 13.818 218 2HB GLN 29 3HB GLN 29 2.549 -12.461 12.518 219 1HG GLN 29 2HG GLN 29 1.359 -14.538 12.743 220 2HG GLN 29 3HG GLN 29 3.026 -14.813 13.270 221 1HE2 GLN 29 2HE2 GLN 29 0.168 -13.357 14.949 222 2HE2 GLN 29 1HE2 GLN 29 0.248 -14.443 16.322 223 H TYR 30 H TYR 30 4.223 -11.365 12.317 224 HA TYR 30 HA TYR 30 6.746 -12.885 12.067 225 1HB TYR 30 2HB TYR 30 6.782 -11.552 9.836 226 2HB TYR 30 3HB TYR 30 5.712 -12.924 10.053 227 HD1 TYR 30 1HD TYR 30 5.832 -9.283 9.573 228 HD2 TYR 30 2HD TYR 30 3.288 -12.701 10.107 229 HE1 TYR 30 1HE TYR 30 3.862 -7.870 9.130 230 HE2 TYR 30 2HE TYR 30 1.304 -11.296 9.600 231 HH TYR 30 HH TYR 30 1.537 -7.760 9.295 232 H GLY 31 H GLY 31 5.664 -9.480 12.212 233 1HA GLY 31 2HA GLY 31 6.759 -7.843 13.599 234 2HA GLY 31 3HA GLY 31 8.238 -8.782 13.569 235 H ARG 32 H ARG 32 6.653 -6.134 12.116 236 HA ARG 32 HA ARG 32 7.689 -6.491 9.511 237 1HB ARG 32 2HB ARG 32 5.551 -5.335 10.269 238 2HB ARG 32 3HB ARG 32 6.527 -3.908 10.628 239 1HG ARG 32 2HG ARG 32 6.962 -3.497 8.384 240 2HG ARG 32 3HG ARG 32 6.961 -5.203 7.962 241 1HD ARG 32 2HD ARG 32 4.311 -4.938 8.569 242 2HD ARG 32 3HD ARG 32 4.653 -3.316 7.995 243 HE ARG 32 HE ARG 32 4.635 -5.851 6.527 244 1HH1 ARG 32 1HH2 ARG 32 5.406 -2.429 6.359 245 2HH1 ARG 32 2HH2 ARG 32 5.616 -2.420 4.636 246 1HH2 ARG 32 1HH1 ARG 32 5.164 -5.969 4.395 247 2HH2 ARG 32 2HH1 ARG 32 5.506 -4.546 3.463 248 H LEU 33 H LEU 33 9.840 -6.785 10.919 249 HA LEU 33 HA LEU 33 11.969 -6.076 11.433 250 1HB LEU 33 2HB LEU 33 11.525 -4.740 8.768 251 2HB LEU 33 3HB LEU 33 13.089 -5.217 9.467 252 HG LEU 33 HG LEU 33 12.607 -6.706 7.750 253 1HD1 LEU 33 1HD1 LEU 33 13.602 -7.670 9.834 254 2HD1 LEU 33 2HD1 LEU 33 11.979 -8.190 10.335 255 3HD1 LEU 33 3HD1 LEU 33 12.709 -8.857 8.865 256 1HD2 LEU 33 1HD2 LEU 33 10.016 -7.658 8.940 257 2HD2 LEU 33 2HD2 LEU 33 10.101 -6.386 7.697 258 3HD2 LEU 33 3HD2 LEU 33 10.726 -8.013 7.371 259 H THR 34 H THR 34 12.697 -3.326 9.907 260 HA THR 34 HA THR 34 11.826 -1.513 12.103 261 HB THR 34 HB THR 34 14.466 -1.416 10.635 262 HG1 THR 34 1HG THR 34 15.311 -2.299 12.583 263 1HG2 THR 34 1HG2 THR 34 13.787 0.741 11.646 264 2HG2 THR 34 2HG2 THR 34 13.488 -0.076 13.201 265 3HG2 THR 34 3HG2 THR 34 15.133 0.037 12.549 266 H PHE 35 H PHE 35 11.303 0.566 11.383 267 HA PHE 35 HA PHE 35 10.078 1.161 9.000 268 1HB PHE 35 2HB PHE 35 11.517 2.813 11.055 269 2HB PHE 35 3HB PHE 35 11.077 3.566 9.544 270 HD1 PHE 35 1HD PHE 35 9.319 1.261 12.009 271 HD2 PHE 35 2HD PHE 35 9.153 4.829 9.573 272 HE1 PHE 35 1HE PHE 35 7.040 1.729 12.832 273 HE2 PHE 35 2HE PHE 35 6.871 5.278 10.400 274 HZ PHE 35 HZ PHE 35 5.804 3.730 12.029 275 H ASN 36 H ASN 36 11.001 0.455 7.107 276 HA ASN 36 HA ASN 36 13.596 1.557 6.214 277 1HB ASN 36 2HB ASN 36 13.346 -0.249 4.524 278 2HB ASN 36 3HB ASN 36 13.407 -0.850 6.180 279 1HD2 ASN 36 2HD2 ASN 36 11.345 -1.526 7.252 280 2HD2 ASN 36 1HD2 ASN 36 10.005 -2.035 6.228 281 H LYS 37 H LYS 37 11.601 0.604 3.655 282 HA LYS 37 HA LYS 37 9.933 2.854 3.346 283 1HB LYS 37 2HB LYS 37 12.100 3.987 2.928 284 2HB LYS 37 3HB LYS 37 12.481 2.833 1.651 285 1HG LYS 37 2HG LYS 37 10.884 3.708 0.188 286 2HG LYS 37 3HG LYS 37 9.898 4.423 1.474 287 1HD LYS 37 2HD LYS 37 12.708 5.428 0.919 288 2HD LYS 37 3HD LYS 37 11.309 6.012 0.000 289 1HE LYS 37 2HE LYS 37 10.185 6.768 2.037 290 2HE LYS 37 3HE LYS 37 11.489 6.132 3.053 291 1HZ LYS 37 1HZ LYS 37 12.976 7.670 2.029 292 2HZ LYS 37 2HZ LYS 37 11.782 8.256 1.052 293 3HZ LYS 37 3HZ LYS 37 11.689 8.465 2.684 294 H VAL 38 H VAL 38 8.664 2.593 1.403 295 HA VAL 38 HA VAL 38 8.734 -0.137 0.243 296 HB VAL 38 HB VAL 38 6.698 0.295 1.312 297 1HG1 VAL 38 1HG1 VAL 38 6.648 2.729 1.553 298 2HG1 VAL 38 2HG1 VAL 38 6.527 2.934 -0.208 299 3HG1 VAL 38 3HG1 VAL 38 5.189 2.215 0.707 300 1HG2 VAL 38 1HG2 VAL 38 6.169 0.789 -1.636 301 2HG2 VAL 38 2HG2 VAL 38 6.473 -0.797 -0.893 302 3HG2 VAL 38 3HG2 VAL 38 5.038 0.127 -0.448 303 H ILE 39 H ILE 39 9.177 -0.410 -1.923 304 HA ILE 39 HA ILE 39 10.368 1.934 -3.249 305 HB ILE 39 HB ILE 39 10.915 0.470 -5.060 306 1HG1 ILE 39 2HG1 ILE 39 10.306 -2.134 -4.352 307 2HG1 ILE 39 3HG1 ILE 39 8.808 -1.291 -3.938 308 1HG2 ILE 39 1HG2 ILE 39 12.329 0.471 -3.025 309 2HG2 ILE 39 2HG2 ILE 39 11.457 -0.962 -2.436 310 3HG2 ILE 39 3HG2 ILE 39 12.411 -1.050 -3.928 311 1HD1 ILE 39 1HD1 ILE 39 8.735 -0.352 -6.253 312 2HD1 ILE 39 2HD1 ILE 39 10.231 -1.238 -6.629 313 3HD1 ILE 39 3HD1 ILE 39 8.747 -2.125 -6.237 314 H ARG 40 H ARG 40 9.510 2.722 -5.409 315 HA ARG 40 HA ARG 40 6.692 2.224 -5.838 316 1HB ARG 40 2HB ARG 40 7.807 4.967 -5.074 317 2HB ARG 40 3HB ARG 40 6.213 4.722 -5.807 318 1HG ARG 40 2HG ARG 40 5.632 3.173 -3.890 319 2HG ARG 40 3HG ARG 40 7.159 3.655 -3.115 320 1HD ARG 40 2HD ARG 40 6.417 6.008 -3.093 321 2HD ARG 40 3HD ARG 40 4.857 5.518 -3.818 322 HE ARG 40 HE ARG 40 5.277 3.891 -1.569 323 1HH1 ARG 40 1HH2 ARG 40 4.676 7.318 -2.225 324 2HH1 ARG 40 2HH2 ARG 40 4.010 7.625 -0.642 325 1HH2 ARG 40 1HH1 ARG 40 4.504 4.349 0.543 326 2HH2 ARG 40 2HH1 ARG 40 3.791 5.921 0.879 327 HA PRO 41 HA PRO 41 5.190 3.453 -7.380 328 1HB PRO 41 2HB PRO 41 4.135 2.691 -9.763 329 2HB PRO 41 3HB PRO 41 4.786 4.330 -9.470 330 1HG PRO 41 2HG PRO 41 6.214 1.988 -10.761 331 2HG PRO 41 3HG PRO 41 6.071 3.659 -11.387 332 1HD PRO 41 2HD PRO 41 8.271 2.824 -9.991 333 2HD PRO 41 3HD PRO 41 7.627 4.474 -9.778 334 H CYS 42 H CYS 42 3.615 1.905 -7.111 335 HA CYS 42 HA CYS 42 4.359 -0.998 -7.096 336 1HB CYS 42 2HB CYS 42 2.757 0.733 -5.180 337 2HB CYS 42 3HB CYS 42 2.619 -1.038 -5.193 338 HG CYS 42 HG CYS 42 4.513 0.453 -3.392 339 H MET 43 H MET 43 1.774 -2.123 -7.016 340 HA MET 43 HA MET 43 0.204 -0.783 -9.105 341 1HB MET 43 2HB MET 43 2.253 -1.836 -10.244 342 2HB MET 43 3HB MET 43 1.572 -3.412 -9.835 343 1HG MET 43 2HG MET 43 -0.365 -2.984 -11.214 344 2HG MET 43 3HG MET 43 0.046 -1.270 -11.370 345 1HE MET 43 1HE MET 43 1.438 -0.205 -13.129 346 2HE MET 43 2HE MET 43 2.848 -0.843 -12.252 347 3HE MET 43 3HE MET 43 2.727 -1.043 -14.016 348 H LYS 44 H LYS 44 -1.805 -1.939 -9.655 349 HA LYS 44 HA LYS 44 -2.543 -3.942 -7.555 350 1HB LYS 44 2HB LYS 44 -4.510 -2.884 -7.086 351 2HB LYS 44 3HB LYS 44 -3.325 -1.558 -7.163 352 1HG LYS 44 2HG LYS 44 -4.195 -0.809 -9.278 353 2HG LYS 44 3HG LYS 44 -5.179 -2.284 -9.468 354 1HD LYS 44 2HD LYS 44 -6.451 -1.690 -7.402 355 2HD LYS 44 3HD LYS 44 -5.604 -0.128 -7.382 356 1HE LYS 44 2HE LYS 44 -6.521 0.425 -9.606 357 2HE LYS 44 3HE LYS 44 -7.292 -1.171 -9.694 358 1HZ LYS 44 1HZ LYS 44 -8.597 -0.592 -7.789 359 2HZ LYS 44 2HZ LYS 44 -7.912 0.907 -7.726 360 3HZ LYS 44 3HZ LYS 44 -8.837 0.473 -9.021 361 H LYS 45 H LYS 45 -4.642 -5.002 -7.976 362 HA LYS 45 HA LYS 45 -5.127 -5.717 -10.788 363 1HB LYS 45 2HB LYS 45 -3.304 -7.153 -10.117 364 2HB LYS 45 3HB LYS 45 -4.102 -7.566 -8.599 365 1HG LYS 45 2HG LYS 45 -5.825 -8.095 -10.950 366 2HG LYS 45 3HG LYS 45 -4.307 -8.960 -11.049 367 1HD LYS 45 2HD LYS 45 -5.930 -9.032 -8.492 368 2HD LYS 45 3HD LYS 45 -6.376 -9.953 -9.933 369 1HE LYS 45 2HE LYS 45 -5.070 -11.395 -8.471 370 2HE LYS 45 3HE LYS 45 -4.241 -11.121 -10.006 371 1HZ LYS 45 1HZ LYS 45 -2.909 -9.447 -8.866 372 2HZ LYS 45 2HZ LYS 45 -3.662 -9.829 -7.439 373 3HZ LYS 45 3HZ LYS 45 -2.740 -10.951 -8.208 374 H THR 46 H THR 46 -7.193 -6.162 -11.129 375 HA THR 46 HA THR 46 -9.177 -6.355 -8.993 376 HB THR 46 HB THR 46 -9.876 -5.208 -10.961 377 HG1 THR 46 1HG THR 46 -10.831 -7.843 -11.299 378 1HG2 THR 46 1HG2 THR 46 -8.379 -5.652 -12.733 379 2HG2 THR 46 2HG2 THR 46 -8.559 -7.404 -12.627 380 3HG2 THR 46 3HG2 THR 46 -9.859 -6.437 -13.257 381 H ILE 47 H ILE 47 -8.920 -8.422 -7.811 382 HA ILE 47 HA ILE 47 -8.177 -10.773 -9.385 383 HB ILE 47 HB ILE 47 -7.251 -10.747 -7.282 384 1HG1 ILE 47 2HG1 ILE 47 -9.487 -12.852 -7.359 385 2HG1 ILE 47 3HG1 ILE 47 -8.028 -12.905 -8.335 386 1HG2 ILE 47 1HG2 ILE 47 -8.587 -9.360 -6.012 387 2HG2 ILE 47 2HG2 ILE 47 -10.047 -10.284 -6.353 388 3HG2 ILE 47 3HG2 ILE 47 -8.832 -10.938 -5.235 389 1HD1 ILE 47 1HD1 ILE 47 -6.635 -12.991 -6.298 390 2HD1 ILE 47 2HD1 ILE 47 -8.099 -12.985 -5.286 391 3HD1 ILE 47 3HD1 ILE 47 -7.795 -14.331 -6.388 392 H TYR 48 H TYR 48 -9.189 -12.304 -10.121 393 HA TYR 48 HA TYR 48 -12.068 -11.983 -10.750 394 1HB TYR 48 2HB TYR 48 -9.777 -13.569 -11.962 395 2HB TYR 48 3HB TYR 48 -11.377 -13.423 -12.647 396 HD1 TYR 48 1HD TYR 48 -12.000 -10.635 -12.398 397 HD2 TYR 48 2HD TYR 48 -8.383 -12.567 -13.629 398 HE1 TYR 48 1HE TYR 48 -11.359 -8.587 -13.639 399 HE2 TYR 48 2HE TYR 48 -7.779 -10.577 -14.974 400 HH TYR 48 HH TYR 48 -8.535 -8.539 -15.766 401 H GLU 49 H GLU 49 -13.083 -13.962 -11.453 402 HA GLU 49 HA GLU 49 -13.529 -15.708 -9.153 403 1HB GLU 49 2HB GLU 49 -15.420 -16.492 -10.588 404 2HB GLU 49 3HB GLU 49 -15.470 -14.784 -10.160 405 1HG GLU 49 2HG GLU 49 -14.348 -15.614 -12.844 406 2HG GLU 49 3HG GLU 49 -16.087 -15.543 -12.567 407 H ASN 50 H ASN 50 -11.072 -16.148 -10.021 408 HA ASN 50 HA ASN 50 -10.968 -18.342 -11.964 409 1HB ASN 50 2HB ASN 50 -9.125 -16.690 -11.638 410 2HB ASN 50 3HB ASN 50 -8.761 -17.449 -10.078 411 1HD2 ASN 50 2HD2 ASN 50 -6.736 -17.420 -11.911 412 2HD2 ASN 50 1HD2 ASN 50 -6.548 -19.000 -12.654 413 H GLU 51 H GLU 51 -12.775 -19.343 -10.634 414 HA GLU 51 HA GLU 51 -11.688 -21.569 -9.151 415 1HB GLU 51 2HB GLU 51 -12.228 -19.759 -7.455 416 2HB GLU 51 3HB GLU 51 -13.904 -19.801 -8.010 417 1HG GLU 51 2HG GLU 51 -13.022 -22.504 -7.304 418 2HG GLU 51 3HG GLU 51 -12.607 -21.397 -5.997 419 H GLY 52 H GLY 52 -12.769 -21.170 -11.786 420 1HA GLY 52 2HA GLY 52 -14.049 -22.380 -13.236 421 2HA GLY 52 3HA GLY 52 -14.783 -23.233 -11.874 422 H PHE 53 H PHE 53 -15.820 -21.145 -10.429 423 HA PHE 53 HA PHE 53 -17.862 -19.803 -12.131 424 1HB PHE 53 2HB PHE 53 -18.405 -21.459 -9.627 425 2HB PHE 53 3HB PHE 53 -19.612 -20.676 -10.638 426 HD1 PHE 53 1HD PHE 53 -20.105 -21.536 -12.945 427 HD2 PHE 53 2HD PHE 53 -17.457 -23.618 -10.247 428 HE1 PHE 53 1HE PHE 53 -20.326 -23.592 -14.308 429 HE2 PHE 53 2HE PHE 53 -17.670 -25.666 -11.627 430 HZ PHE 53 HZ PHE 53 -19.110 -25.660 -13.655 431 H ARG 54 H ARG 54 -19.314 -18.651 -10.228 432 HA ARG 54 HA ARG 54 -19.536 -17.273 -8.484 433 1HB ARG 54 2HB ARG 54 -17.478 -18.691 -7.532 434 2HB ARG 54 3HB ARG 54 -16.629 -17.157 -7.706 435 1HG ARG 54 2HG ARG 54 -18.013 -16.124 -6.054 436 2HG ARG 54 3HG ARG 54 -19.337 -17.275 -6.328 437 1HD ARG 54 2HD ARG 54 -17.768 -19.099 -5.448 438 2HD ARG 54 3HD ARG 54 -16.758 -17.784 -4.815 439 HE ARG 54 HE ARG 54 -19.256 -17.143 -3.898 440 1HH1 ARG 54 1HH2 ARG 54 -17.310 -20.091 -3.696 441 2HH1 ARG 54 2HH2 ARG 54 -18.226 -20.776 -2.384 442 1HH2 ARG 54 1HH1 ARG 54 -20.465 -18.032 -2.182 443 2HH2 ARG 54 2HH1 ARG 54 -20.030 -19.568 -1.487 444 H GLU 55 H GLU 55 -18.438 -14.981 -7.750 445 HA GLU 55 HA GLU 55 -18.039 -13.540 -10.330 446 1HB GLU 55 2HB GLU 55 -20.261 -13.397 -8.840 447 2HB GLU 55 3HB GLU 55 -19.293 -12.257 -7.912 448 1HG GLU 55 2HG GLU 55 -19.083 -11.671 -10.797 449 2HG GLU 55 3HG GLU 55 -20.771 -11.886 -10.357 450 H ILE 56 H ILE 56 -17.356 -11.085 -9.468 451 HA ILE 56 HA ILE 56 -14.582 -11.454 -9.311 452 HB ILE 56 HB ILE 56 -16.298 -9.001 -8.739 453 1HG1 ILE 56 2HG1 ILE 56 -16.421 -9.986 -11.064 454 2HG1 ILE 56 3HG1 ILE 56 -15.831 -8.320 -10.971 455 1HG2 ILE 56 1HG2 ILE 56 -14.237 -8.516 -7.665 456 2HG2 ILE 56 2HG2 ILE 56 -13.288 -9.209 -8.997 457 3HG2 ILE 56 3HG2 ILE 56 -14.198 -7.718 -9.243 458 1HD1 ILE 56 1HD1 ILE 56 -13.517 -9.091 -11.290 459 2HD1 ILE 56 2HD1 ILE 56 -14.091 -10.781 -11.347 460 3HD1 ILE 56 3HD1 ILE 56 -14.578 -9.632 -12.601 461 H LYS 57 H LYS 57 -13.050 -11.411 -7.755 462 HA LYS 57 HA LYS 57 -14.026 -12.257 -5.148 463 1HB LYS 57 2HB LYS 57 -12.234 -13.382 -6.579 464 2HB LYS 57 3HB LYS 57 -11.212 -12.021 -6.197 465 1HG LYS 57 2HG LYS 57 -10.516 -13.610 -4.712 466 2HG LYS 57 3HG LYS 57 -11.578 -12.628 -3.695 467 1HD LYS 57 2HD LYS 57 -13.264 -14.319 -3.665 468 2HD LYS 57 3HD LYS 57 -12.687 -15.055 -5.164 469 1HE LYS 57 2HE LYS 57 -12.131 -16.503 -3.282 470 2HE LYS 57 3HE LYS 57 -10.670 -15.903 -4.075 471 1HZ LYS 57 1HZ LYS 57 -10.494 -14.254 -2.334 472 2HZ LYS 57 2HZ LYS 57 -11.830 -14.865 -1.584 473 3HZ LYS 57 3HZ LYS 57 -10.469 -15.786 -1.726 474 H GLY 58 H GLY 58 -12.015 -9.570 -6.545 475 1HA GLY 58 2HA GLY 58 -12.761 -7.572 -4.796 476 2HA GLY 58 3HA GLY 58 -11.500 -8.464 -3.927 477 H TYR 59 H TYR 59 -10.450 -6.315 -3.999 478 HA TYR 59 HA TYR 59 -8.971 -5.726 -6.484 479 1HB TYR 59 2HB TYR 59 -10.281 -4.060 -4.321 480 2HB TYR 59 3HB TYR 59 -8.653 -3.577 -4.783 481 HD1 TYR 59 1HD TYR 59 -8.098 -3.576 -7.224 482 HD2 TYR 59 2HD TYR 59 -12.072 -3.125 -5.705 483 HE1 TYR 59 1HE TYR 59 -8.900 -2.925 -9.526 484 HE2 TYR 59 2HE TYR 59 -12.859 -2.333 -7.922 485 HH TYR 59 HH TYR 59 -10.708 -2.218 -10.783 486 H GLU 60 H GLU 60 -7.079 -6.860 -6.280 487 HA GLU 60 HA GLU 60 -5.774 -7.023 -3.643 488 1HB GLU 60 2HB GLU 60 -5.397 -8.415 -6.276 489 2HB GLU 60 3HB GLU 60 -4.093 -8.269 -5.092 490 1HG GLU 60 2HG GLU 60 -5.477 -9.282 -3.341 491 2HG GLU 60 3HG GLU 60 -6.853 -9.401 -4.450 492 H TYR 61 H TYR 61 -4.127 -5.729 -3.205 493 HA TYR 61 HA TYR 61 -3.045 -3.867 -5.297 494 1HB TYR 61 2HB TYR 61 -3.128 -3.570 -2.290 495 2HB TYR 61 3HB TYR 61 -2.517 -2.389 -3.448 496 HD1 TYR 61 1HD TYR 61 -5.331 -3.353 -1.513 497 HD2 TYR 61 2HD TYR 61 -4.255 -1.556 -5.240 498 HE1 TYR 61 1HE TYR 61 -7.623 -2.403 -1.755 499 HE2 TYR 61 2HE TYR 61 -6.496 -0.445 -5.354 500 HH TYR 61 HH TYR 61 -8.950 -0.917 -2.833 501 H GLN 62 H GLN 62 -0.824 -4.284 -5.752 502 HA GLN 62 HA GLN 62 0.620 -6.168 -3.933 503 1HB GLN 62 2HB GLN 62 0.191 -6.951 -6.300 504 2HB GLN 62 3HB GLN 62 1.026 -5.498 -6.859 505 1HG GLN 62 2HG GLN 62 3.031 -6.413 -5.340 506 2HG GLN 62 3HG GLN 62 2.155 -7.938 -5.471 507 1HE2 GLN 62 2HE2 GLN 62 3.191 -5.182 -7.584 508 2HE2 GLN 62 1HE2 GLN 62 3.750 -6.213 -8.892 509 H LEU 63 H LEU 63 2.223 -5.228 -2.762 510 HA LEU 63 HA LEU 63 3.768 -3.086 -4.066 511 1HB LEU 63 2HB LEU 63 3.762 -1.719 -2.004 512 2HB LEU 63 3HB LEU 63 2.233 -1.819 -2.878 513 HG LEU 63 HG LEU 63 1.458 -3.557 -1.180 514 1HD1 LEU 63 1HD1 LEU 63 3.696 -4.087 -0.194 515 2HD1 LEU 63 2HD1 LEU 63 3.842 -2.404 0.356 516 3HD1 LEU 63 3HD1 LEU 63 2.581 -3.462 1.028 517 1HD2 LEU 63 1HD2 LEU 63 2.090 -0.696 -0.329 518 2HD2 LEU 63 2HD2 LEU 63 0.647 -1.255 -1.205 519 3HD2 LEU 63 3HD2 LEU 63 0.928 -1.773 0.469 520 H TYR 64 H TYR 64 5.730 -2.560 -2.766 521 HA TYR 64 HA TYR 64 7.056 -5.139 -2.067 522 1HB TYR 64 2HB TYR 64 7.283 -3.241 -4.368 523 2HB TYR 64 3HB TYR 64 8.797 -3.754 -3.664 524 HD1 TYR 64 1HD TYR 64 8.926 -6.384 -3.089 525 HD2 TYR 64 2HD TYR 64 6.412 -4.635 -6.119 526 HE1 TYR 64 1HE TYR 64 8.894 -8.542 -4.307 527 HE2 TYR 64 2HE TYR 64 6.331 -6.807 -7.302 528 HH TYR 64 HH TYR 64 6.990 -9.027 -7.288 529 H VAL 65 H VAL 65 7.747 -4.866 -0.025 530 HA VAL 65 HA VAL 65 8.576 -2.134 0.821 531 HB VAL 65 HB VAL 65 7.687 -4.488 2.484 532 1HG1 VAL 65 1HG1 VAL 65 9.268 -2.921 3.617 533 2HG1 VAL 65 2HG1 VAL 65 8.218 -1.556 3.184 534 3HG1 VAL 65 3HG1 VAL 65 7.657 -2.825 4.293 535 1HG2 VAL 65 1HG2 VAL 65 6.329 -2.017 1.309 536 2HG2 VAL 65 2HG2 VAL 65 5.806 -3.707 1.216 537 3HG2 VAL 65 3HG2 VAL 65 5.673 -2.802 2.729 538 H TYR 66 H TYR 66 10.647 -1.668 1.345 539 HA TYR 66 HA TYR 66 12.629 -3.729 0.721 540 1HB TYR 66 2HB TYR 66 12.471 -1.417 -0.323 541 2HB TYR 66 3HB TYR 66 12.959 -0.755 1.227 542 HD1 TYR 66 1HD TYR 66 14.019 -3.448 -1.084 543 HD2 TYR 66 2HD TYR 66 15.215 -0.089 1.291 544 HE1 TYR 66 1HE TYR 66 16.398 -3.774 -1.832 545 HE2 TYR 66 2HE TYR 66 17.544 -0.317 0.460 546 HH TYR 66 HH TYR 66 18.799 -2.978 -0.675 547 H ALA 67 H ALA 67 11.761 -4.631 2.983 548 HA ALA 67 HA ALA 67 12.795 -3.094 5.336 549 1HB ALA 67 1HB ALA 67 10.415 -4.111 5.219 550 2HB ALA 67 2HB ALA 67 11.222 -5.655 5.549 551 3HB ALA 67 3HB ALA 67 11.390 -4.312 6.674 552 H SER 68 H SER 68 14.286 -4.025 6.806 553 HA SER 68 HA SER 68 16.336 -4.919 7.147 554 1HB SER 68 2HB SER 68 14.851 -6.710 7.926 555 2HB SER 68 3HB SER 68 14.941 -7.483 6.324 556 HG SER 68 HG SER 68 17.251 -7.525 6.696 557 H ASP 69 H ASP 69 15.999 -3.892 4.379 558 HA ASP 69 HA ASP 69 16.888 -3.923 2.332 559 1HB ASP 69 2HB ASP 69 18.963 -3.630 3.643 560 2HB ASP 69 3HB ASP 69 19.193 -5.389 3.672 561 H LYS 70 H LYS 70 14.928 -5.929 2.674 562 HA LYS 70 HA LYS 70 15.782 -7.651 0.417 563 1HB LYS 70 2HB LYS 70 14.260 -8.580 2.910 564 2HB LYS 70 3HB LYS 70 14.120 -9.355 1.337 565 1HG LYS 70 2HG LYS 70 15.651 -10.713 2.243 566 2HG LYS 70 3HG LYS 70 16.729 -9.580 1.409 567 1HD LYS 70 2HD LYS 70 17.173 -8.417 3.509 568 2HD LYS 70 3HD LYS 70 15.928 -9.360 4.354 569 1HE LYS 70 2HE LYS 70 17.315 -11.449 3.740 570 2HE LYS 70 3HE LYS 70 18.591 -10.329 3.230 571 1HZ LYS 70 1HZ LYS 70 18.555 -9.430 5.462 572 2HZ LYS 70 2HZ LYS 70 17.393 -10.512 5.906 573 3HZ LYS 70 3HZ LYS 70 18.891 -11.047 5.472 574 H LEU 71 H LEU 71 13.915 -8.142 -0.960 575 HA LEU 71 HA LEU 71 11.828 -6.040 -0.744 576 1HB LEU 71 2HB LEU 71 12.641 -7.930 -2.972 577 2HB LEU 71 3HB LEU 71 11.094 -7.107 -2.953 578 HG LEU 71 HG LEU 71 12.695 -5.955 -4.302 579 1HD1 LEU 71 1HD1 LEU 71 10.926 -4.657 -3.209 580 2HD1 LEU 71 2HD1 LEU 71 12.030 -4.226 -1.892 581 3HD1 LEU 71 3HD1 LEU 71 12.379 -3.700 -3.544 582 1HD2 LEU 71 1HD2 LEU 71 14.357 -5.425 -1.819 583 2HD2 LEU 71 2HD2 LEU 71 14.739 -6.622 -3.044 584 3HD2 LEU 71 3HD2 LEU 71 14.698 -4.894 -3.478 585 H PHE 72 H PHE 72 10.493 -6.656 0.831 586 HA PHE 72 HA PHE 72 9.409 -9.440 0.866 587 1HB PHE 72 2HB PHE 72 8.925 -6.984 2.575 588 2HB PHE 72 3HB PHE 72 8.052 -8.479 2.739 589 HD1 PHE 72 1HD PHE 72 10.990 -6.757 3.639 590 HD2 PHE 72 2HD PHE 72 9.436 -10.703 3.108 591 HE1 PHE 72 1HE PHE 72 12.735 -7.656 5.236 592 HE2 PHE 72 2HE PHE 72 11.245 -11.620 4.541 593 HZ PHE 72 HZ PHE 72 12.884 -10.093 5.609 594 H ARG 73 H ARG 73 8.104 -9.778 -0.832 595 HA ARG 73 HA ARG 73 6.510 -7.757 -2.112 596 1HB ARG 73 2HB ARG 73 7.231 -9.991 -3.131 597 2HB ARG 73 3HB ARG 73 6.051 -10.769 -2.062 598 1HG ARG 73 2HG ARG 73 4.282 -9.216 -3.115 599 2HG ARG 73 3HG ARG 73 5.535 -8.715 -4.261 600 1HD ARG 73 2HD ARG 73 5.829 -11.186 -4.854 601 2HD ARG 73 3HD ARG 73 4.427 -11.514 -3.805 602 HE ARG 73 HE ARG 73 3.973 -9.506 -5.896 603 1HH1 ARG 73 1HH2 ARG 73 3.867 -12.974 -5.167 604 2HH1 ARG 73 2HH2 ARG 73 2.772 -13.340 -6.470 605 1HH2 ARG 73 1HH1 ARG 73 2.649 -9.987 -7.622 606 2HH2 ARG 73 2HH1 ARG 73 2.043 -11.608 -7.893 607 H ALA 74 H ALA 74 4.451 -7.052 -1.388 608 HA ALA 74 HA ALA 74 3.097 -8.709 0.635 609 1HB ALA 74 1HB ALA 74 4.539 -7.334 2.007 610 2HB ALA 74 2HB ALA 74 4.099 -5.874 1.122 611 3HB ALA 74 3HB ALA 74 2.901 -6.679 2.139 612 H ASP 75 H ASP 75 1.005 -8.879 0.058 613 HA ASP 75 HA ASP 75 -0.091 -6.803 -1.740 614 1HB ASP 75 2HB ASP 75 -0.519 -9.815 -1.609 615 2HB ASP 75 3HB ASP 75 -1.622 -8.726 -2.466 616 H ILE 76 H ILE 76 -2.425 -6.374 -1.435 617 HA ILE 76 HA ILE 76 -3.594 -7.475 1.086 618 HB ILE 76 HB ILE 76 -3.424 -4.522 0.368 619 1HG1 ILE 76 2HG1 ILE 76 -2.986 -4.623 2.992 620 2HG1 ILE 76 3HG1 ILE 76 -2.490 -6.270 2.683 621 1HG2 ILE 76 1HG2 ILE 76 -5.766 -4.956 0.844 622 2HG2 ILE 76 2HG2 ILE 76 -5.344 -5.905 2.285 623 3HG2 ILE 76 3HG2 ILE 76 -5.060 -4.157 2.235 624 1HD1 ILE 76 1HD1 ILE 76 -0.666 -5.423 1.221 625 2HD1 ILE 76 2HD1 ILE 76 -1.356 -3.804 1.274 626 3HD1 ILE 76 3HD1 ILE 76 -0.660 -4.522 2.735 627 H SER 77 H SER 77 -5.633 -8.136 0.795 628 HA SER 77 HA SER 77 -6.864 -7.683 -1.900 629 1HB SER 77 2HB SER 77 -6.335 -10.031 -1.278 630 2HB SER 77 3HB SER 77 -7.456 -9.840 0.095 631 HG SER 77 HG SER 77 -8.120 -9.507 -2.655 632 H GLU 78 H GLU 78 -8.163 -5.925 -1.705 633 HA GLU 78 HA GLU 78 -9.980 -5.839 0.586 634 1HB GLU 78 2HB GLU 78 -9.496 -3.859 -1.686 635 2HB GLU 78 3HB GLU 78 -10.656 -3.627 -0.387 636 1HG GLU 78 2HG GLU 78 -8.699 -3.977 1.261 637 2HG GLU 78 3HG GLU 78 -7.627 -3.746 -0.087 638 H ASP 79 H ASP 79 -12.242 -5.498 0.198 639 HA ASP 79 HA ASP 79 -13.224 -7.460 -1.804 640 1HB ASP 79 2HB ASP 79 -14.103 -7.600 0.452 641 2HB ASP 79 3HB ASP 79 -14.628 -5.910 0.376 642 H TYR 80 H TYR 80 -14.417 -6.983 -3.572 643 HA TYR 80 HA TYR 80 -13.879 -4.670 -4.934 644 1HB TYR 80 2HB TYR 80 -14.881 -7.045 -5.633 645 2HB TYR 80 3HB TYR 80 -16.418 -6.213 -5.539 646 HD1 TYR 80 1HD TYR 80 -17.172 -5.728 -7.729 647 HD2 TYR 80 2HD TYR 80 -12.946 -5.556 -6.893 648 HE1 TYR 80 1HE TYR 80 -16.703 -5.316 -10.121 649 HE2 TYR 80 2HE TYR 80 -12.495 -5.066 -9.265 650 HH TYR 80 HH TYR 80 -13.385 -4.706 -11.324 651 H LYS 81 H LYS 81 -16.937 -5.427 -3.260 652 HA LYS 81 HA LYS 81 -18.052 -2.760 -3.834 653 1HB LYS 81 2HB LYS 81 -19.449 -4.707 -4.019 654 2HB LYS 81 3HB LYS 81 -19.125 -5.202 -2.356 655 1HG LYS 81 2HG LYS 81 -20.376 -2.492 -2.928 656 2HG LYS 81 3HG LYS 81 -21.354 -3.964 -3.004 657 1HD LYS 81 2HD LYS 81 -20.751 -4.555 -0.687 658 2HD LYS 81 3HD LYS 81 -19.791 -3.083 -0.539 659 1HE LYS 81 2HE LYS 81 -21.828 -1.715 -1.069 660 2HE LYS 81 3HE LYS 81 -22.788 -3.205 -0.964 661 1HZ LYS 81 1HZ LYS 81 -21.986 -3.449 1.291 662 2HZ LYS 81 2HZ LYS 81 -21.120 -2.053 1.165 663 3HZ LYS 81 3HZ LYS 81 -22.763 -2.009 1.093 664 H THR 82 H THR 82 -16.844 -4.601 -1.002 665 HA THR 82 HA THR 82 -17.918 -2.598 0.846 666 HB THR 82 HB THR 82 -16.509 -5.269 1.225 667 HG1 THR 82 1HG THR 82 -18.513 -5.409 0.203 668 1HG2 THR 82 1HG2 THR 82 -16.234 -3.997 3.238 669 2HG2 THR 82 2HG2 THR 82 -17.956 -3.519 3.210 670 3HG2 THR 82 3HG2 THR 82 -17.496 -5.229 3.461 671 H ARG 83 H ARG 83 -14.788 -3.424 -0.569 672 HA ARG 83 HA ARG 83 -12.705 -2.889 -0.046 673 1HB ARG 83 2HB ARG 83 -14.072 -0.273 0.345 674 2HB ARG 83 3HB ARG 83 -12.327 -0.438 0.553 675 1HG ARG 83 2HG ARG 83 -12.491 0.224 -1.652 676 2HG ARG 83 3HG ARG 83 -12.200 -1.507 -1.742 677 1HD ARG 83 2HD ARG 83 -13.826 -0.956 -3.385 678 2HD ARG 83 3HD ARG 83 -14.718 -1.805 -2.122 679 HE ARG 83 HE ARG 83 -14.858 0.910 -1.469 680 1HH1 ARG 83 1HH2 ARG 83 -15.931 -1.201 -4.124 681 2HH1 ARG 83 2HH2 ARG 83 -17.178 -0.106 -4.650 682 1HH2 ARG 83 1HH1 ARG 83 -16.515 2.310 -2.145 683 2HH2 ARG 83 2HH1 ARG 83 -17.543 1.898 -3.491 684 H GLY 84 H GLY 84 -13.833 -4.401 1.929 685 1HA GLY 84 2HA GLY 84 -12.704 -3.568 4.491 686 2HA GLY 84 3HA GLY 84 -13.162 -5.219 4.005 687 H ARG 85 H ARG 85 -10.599 -5.118 5.165 688 HA ARG 85 HA ARG 85 -8.842 -5.487 2.787 689 1HB ARG 85 2HB ARG 85 -7.241 -4.391 4.871 690 2HB ARG 85 3HB ARG 85 -7.534 -3.768 3.266 691 1HG ARG 85 2HG ARG 85 -7.963 -2.060 4.850 692 2HG ARG 85 3HG ARG 85 -9.498 -2.493 4.117 693 1HD ARG 85 2HD ARG 85 -8.981 -4.114 6.521 694 2HD ARG 85 3HD ARG 85 -8.777 -2.397 6.892 695 HE ARG 85 HE ARG 85 -11.126 -2.402 5.508 696 1HH1 ARG 85 1HH2 ARG 85 -9.969 -4.064 8.401 697 2HH1 ARG 85 2HH2 ARG 85 -11.546 -4.208 9.126 698 1HH2 ARG 85 1HH1 ARG 85 -13.195 -2.575 6.441 699 2HH2 ARG 85 2HH1 ARG 85 -13.417 -3.352 7.983 700 H LYS 86 H LYS 86 -8.063 -7.456 2.720 701 HA LYS 86 HA LYS 86 -7.633 -8.890 5.283 702 1HB LYS 86 2HB LYS 86 -8.085 -9.940 2.485 703 2HB LYS 86 3HB LYS 86 -7.767 -10.948 3.897 704 1HG LYS 86 2HG LYS 86 -10.177 -9.075 3.669 705 2HG LYS 86 3HG LYS 86 -10.157 -10.757 3.165 706 1HD LYS 86 2HD LYS 86 -11.149 -10.802 5.240 707 2HD LYS 86 3HD LYS 86 -9.532 -11.446 5.519 708 1HE LYS 86 2HE LYS 86 -8.895 -9.541 6.814 709 2HE LYS 86 3HE LYS 86 -10.104 -8.497 6.041 710 1HZ LYS 86 1HZ LYS 86 -11.784 -9.719 7.205 711 2HZ LYS 86 2HZ LYS 86 -10.654 -10.700 7.898 712 3HZ LYS 86 3HZ LYS 86 -10.683 -9.091 8.258 713 H LEU 87 H LEU 87 -5.890 -9.964 5.713 714 HA LEU 87 HA LEU 87 -3.446 -8.718 4.948 715 1HB LEU 87 2HB LEU 87 -4.282 -9.566 7.200 716 2HB LEU 87 3HB LEU 87 -3.856 -11.198 6.696 717 HG LEU 87 HG LEU 87 -1.958 -8.834 6.772 718 1HD1 LEU 87 1HD1 LEU 87 -2.883 -9.303 9.024 719 2HD1 LEU 87 2HD1 LEU 87 -2.392 -11.000 8.881 720 3HD1 LEU 87 3HD1 LEU 87 -1.163 -9.724 8.954 721 1HD2 LEU 87 1HD2 LEU 87 -1.390 -11.833 6.677 722 2HD2 LEU 87 2HD2 LEU 87 -1.045 -10.661 5.390 723 3HD2 LEU 87 3HD2 LEU 87 -0.161 -10.575 6.915 724 H LEU 88 H LEU 88 -2.822 -9.181 2.865 725 HA LEU 88 HA LEU 88 -2.030 -11.993 2.249 726 1HB LEU 88 2HB LEU 88 -3.563 -9.993 0.713 727 2HB LEU 88 3HB LEU 88 -2.119 -10.467 -0.152 728 HG LEU 88 HG LEU 88 -4.062 -11.769 -0.788 729 1HD1 LEU 88 1HD1 LEU 88 -1.803 -12.742 -0.996 730 2HD1 LEU 88 2HD1 LEU 88 -1.971 -13.506 0.599 731 3HD1 LEU 88 3HD1 LEU 88 -3.048 -13.978 -0.728 732 1HD2 LEU 88 1HD2 LEU 88 -4.060 -13.019 1.989 733 2HD2 LEU 88 2HD2 LEU 88 -5.217 -11.784 1.437 734 3HD2 LEU 88 3HD2 LEU 88 -5.146 -13.369 0.637 735 H ARG 89 H ARG 89 -0.804 -9.523 3.659 736 HA ARG 89 HA ARG 89 1.408 -8.809 1.934 737 1HB ARG 89 2HB ARG 89 2.159 -7.636 4.197 738 2HB ARG 89 3HB ARG 89 0.963 -6.939 3.100 739 1HG ARG 89 2HG ARG 89 -0.865 -7.757 4.408 740 2HG ARG 89 3HG ARG 89 0.300 -8.450 5.594 741 1HD ARG 89 2HD ARG 89 1.054 -6.265 6.183 742 2HD ARG 89 3HD ARG 89 0.440 -5.537 4.697 743 HE ARG 89 HE ARG 89 -1.536 -5.083 5.631 744 1HH1 ARG 89 1HH2 ARG 89 0.124 -7.517 7.667 745 2HH1 ARG 89 2HH2 ARG 89 -1.005 -7.341 8.982 746 1HH2 ARG 89 1HH1 ARG 89 -3.081 -5.041 7.345 747 2HH2 ARG 89 2HH1 ARG 89 -2.868 -6.071 8.734 748 H PHE 90 H PHE 90 3.659 -8.952 2.763 749 HA PHE 90 HA PHE 90 5.457 -10.199 3.269 750 1HB PHE 90 2HB PHE 90 3.574 -10.765 5.499 751 2HB PHE 90 3HB PHE 90 4.866 -11.926 5.281 752 HD1 PHE 90 1HD PHE 90 4.024 -8.506 6.076 753 HD2 PHE 90 2HD PHE 90 7.199 -11.349 5.631 754 HE1 PHE 90 1HE PHE 90 5.555 -7.115 7.613 755 HE2 PHE 90 2HE PHE 90 8.760 -9.861 6.844 756 HZ PHE 90 HZ PHE 90 7.950 -7.721 7.763 757 H ASN 91 H ASN 91 5.432 -11.178 1.210 758 HA ASN 91 HA ASN 91 5.229 -14.109 1.456 759 1HB ASN 91 2HB ASN 91 3.136 -13.051 0.339 760 2HB ASN 91 3HB ASN 91 4.219 -12.711 -1.032 761 1HD2 ASN 91 2HD2 ASN 91 1.907 -14.349 -1.246 762 2HD2 ASN 91 1HD2 ASN 91 2.432 -16.001 -1.509 763 H GLY 92 H GLY 92 6.422 -15.085 -0.534 764 1HA GLY 92 2HA GLY 92 8.336 -15.066 -1.902 765 2HA GLY 92 3HA GLY 92 8.765 -13.462 -1.342 766 HA PRO 93 HA PRO 93 9.995 -12.397 0.370 767 1HB PRO 93 2HB PRO 93 12.661 -12.195 0.911 768 2HB PRO 93 3HB PRO 93 11.444 -12.459 2.187 769 1HG PRO 93 2HG PRO 93 13.110 -14.573 0.790 770 2HG PRO 93 3HG PRO 93 12.936 -14.321 2.550 771 1HD PRO 93 2HD PRO 93 11.418 -16.143 1.235 772 2HD PRO 93 3HD PRO 93 10.688 -15.140 2.514 773 H VAL 94 H VAL 94 11.333 -11.046 -1.200 774 HA VAL 94 HA VAL 94 12.031 -12.683 -3.589 775 HB VAL 94 HB VAL 94 10.772 -9.926 -3.397 776 1HG1 VAL 94 1HG1 VAL 94 12.166 -10.062 -5.395 777 2HG1 VAL 94 2HG1 VAL 94 11.435 -11.623 -5.838 778 3HG1 VAL 94 3HG1 VAL 94 10.465 -10.139 -5.838 779 1HG2 VAL 94 1HG2 VAL 94 9.671 -12.661 -4.189 780 2HG2 VAL 94 2HG2 VAL 94 9.148 -11.654 -2.821 781 3HG2 VAL 94 3HG2 VAL 94 8.830 -11.130 -4.477 782 HA PRO 95 HA PRO 95 16.017 -10.646 -2.948 783 1HB PRO 95 2HB PRO 95 17.339 -11.460 -5.207 784 2HB PRO 95 3HB PRO 95 16.972 -12.571 -3.855 785 1HG PRO 95 2HG PRO 95 15.397 -12.182 -6.415 786 2HG PRO 95 3HG PRO 95 15.949 -13.725 -5.696 787 1HD PRO 95 2HD PRO 95 13.436 -12.757 -5.325 788 2HD PRO 95 3HD PRO 95 14.284 -13.621 -4.009 789 HA PRO 96 HA PRO 96 15.338 -6.921 -5.140 790 1HB PRO 96 2HB PRO 96 17.850 -5.854 -5.619 791 2HB PRO 96 3HB PRO 96 17.063 -5.905 -4.016 792 1HG PRO 96 2HG PRO 96 19.052 -7.881 -5.157 793 2HG PRO 96 3HG PRO 96 19.091 -7.095 -3.549 794 1HD PRO 96 2HD PRO 96 18.110 -9.597 -3.854 795 2HD PRO 96 3HD PRO 96 17.278 -8.446 -2.768 796 HA PRO 97 HA PRO 97 15.630 -8.288 -9.417 797 1HB PRO 97 2HB PRO 97 14.245 -6.294 -10.665 798 2HB PRO 97 3HB PRO 97 13.449 -7.505 -9.619 799 1HG PRO 97 2HG PRO 97 14.346 -4.712 -8.850 800 2HG PRO 97 3HG PRO 97 12.745 -5.461 -8.568 801 1HD PRO 97 2HD PRO 97 14.678 -5.414 -6.657 802 2HD PRO 97 3HD PRO 97 13.609 -6.842 -6.838 Start of MODEL 10 1 1H MET 1 1H MET 1 -10.849 -6.495 -18.389 2 2H MET 1 2H MET 1 -10.799 -5.451 -17.115 3 3H MET 1 3H MET 1 -12.253 -5.915 -17.751 4 HA MET 1 HA MET 1 -11.775 -6.976 -15.655 5 1HB MET 1 2HB MET 1 -12.015 -8.756 -18.118 6 2HB MET 1 3HB MET 1 -12.172 -9.326 -16.453 7 1HG MET 1 2HG MET 1 -14.382 -8.957 -17.221 8 2HG MET 1 3HG MET 1 -14.004 -7.691 -16.066 9 1HE MET 1 1HE MET 1 -13.262 -8.051 -19.988 10 2HE MET 1 2HE MET 1 -14.934 -8.609 -19.730 11 3HE MET 1 3HE MET 1 -14.625 -7.094 -20.604 12 H GLY 2 H GLY 2 -9.745 -8.616 -18.161 13 1HA GLY 2 2HA GLY 2 -7.949 -9.511 -15.998 14 2HA GLY 2 3HA GLY 2 -7.960 -10.026 -17.685 15 H GLU 3 H GLU 3 -7.333 -7.020 -15.765 16 HA GLU 3 HA GLU 3 -4.633 -6.907 -16.863 17 1HB GLU 3 2HB GLU 3 -6.671 -4.717 -17.456 18 2HB GLU 3 3HB GLU 3 -4.967 -4.361 -17.305 19 1HG GLU 3 2HG GLU 3 -4.863 -4.685 -19.497 20 2HG GLU 3 3HG GLU 3 -4.701 -6.377 -19.070 21 H TRP 4 H TRP 4 -3.404 -5.135 -15.859 22 HA TRP 4 HA TRP 4 -4.061 -4.794 -12.974 23 1HB TRP 4 2HB TRP 4 -1.463 -4.640 -14.571 24 2HB TRP 4 3HB TRP 4 -1.623 -4.128 -12.914 25 HD1 TRP 4 HD TRP 4 -2.444 -7.468 -14.768 26 HE1 TRP 4 1HE TRP 4 -1.670 -9.388 -13.287 27 HE3 TRP 4 3HE TRP 4 -0.607 -4.747 -10.888 28 HZ2 TRP 4 2HZ TRP 4 -0.398 -9.715 -10.681 29 HZ3 TRP 4 3HZ TRP 4 0.370 -5.854 -8.921 30 HH2 TRP 4 HH TRP 4 0.492 -8.349 -8.795 31 H GLU 5 H GLU 5 -3.187 -2.592 -12.150 32 HA GLU 5 HA GLU 5 -3.403 -0.417 -14.133 33 1HB GLU 5 2HB GLU 5 -5.346 -1.013 -11.939 34 2HB GLU 5 3HB GLU 5 -4.884 0.663 -12.075 35 1HG GLU 5 2HG GLU 5 -5.925 -0.932 -14.454 36 2HG GLU 5 3HG GLU 5 -6.950 0.029 -13.379 37 H ILE 6 H ILE 6 -3.027 1.663 -13.133 38 HA ILE 6 HA ILE 6 -0.442 1.496 -11.785 39 HB ILE 6 HB ILE 6 -0.321 3.948 -12.168 40 1HG1 ILE 6 2HG1 ILE 6 -3.010 3.666 -13.584 41 2HG1 ILE 6 3HG1 ILE 6 -2.744 4.494 -12.048 42 1HG2 ILE 6 1HG2 ILE 6 0.492 2.275 -13.819 43 2HG2 ILE 6 2HG2 ILE 6 -1.060 2.389 -14.675 44 3HG2 ILE 6 3HG2 ILE 6 0.014 3.799 -14.564 45 1HD1 ILE 6 1HD1 ILE 6 -1.155 6.051 -13.234 46 2HD1 ILE 6 2HD1 ILE 6 -1.674 5.310 -14.766 47 3HD1 ILE 6 3HD1 ILE 6 -2.851 6.146 -13.746 48 H ILE 7 H ILE 7 0.128 2.268 -9.802 49 HA ILE 7 HA ILE 7 -2.025 2.536 -7.841 50 HB ILE 7 HB ILE 7 0.010 1.124 -7.615 51 1HG1 ILE 7 2HG1 ILE 7 0.437 2.582 -5.186 52 2HG1 ILE 7 3HG1 ILE 7 -1.271 2.740 -5.609 53 1HG2 ILE 7 1HG2 ILE 7 1.672 2.722 -8.557 54 2HG2 ILE 7 2HG2 ILE 7 1.576 3.685 -7.071 55 3HG2 ILE 7 3HG2 ILE 7 2.118 2.033 -6.997 56 1HD1 ILE 7 1HD1 ILE 7 -1.439 0.277 -5.876 57 2HD1 ILE 7 2HD1 ILE 7 0.272 0.117 -5.425 58 3HD1 ILE 7 3HD1 ILE 7 -0.901 0.736 -4.245 59 H ASP 8 H ASP 8 -2.229 4.683 -9.565 60 HA ASP 8 HA ASP 8 -0.649 6.969 -8.622 61 1HB ASP 8 2HB ASP 8 -1.471 6.673 -10.970 62 2HB ASP 8 3HB ASP 8 -3.119 6.991 -10.404 63 H ILE 9 H ILE 9 -1.206 6.518 -6.358 64 HA ILE 9 HA ILE 9 -3.795 7.656 -5.447 65 HB ILE 9 HB ILE 9 -2.464 5.076 -4.491 66 1HG1 ILE 9 2HG1 ILE 9 -3.451 4.715 -6.771 67 2HG1 ILE 9 3HG1 ILE 9 -4.172 3.760 -5.500 68 1HG2 ILE 9 1HG2 ILE 9 -3.744 5.875 -2.681 69 2HG2 ILE 9 2HG2 ILE 9 -5.037 6.491 -3.744 70 3HG2 ILE 9 3HG2 ILE 9 -4.816 4.750 -3.519 71 1HD1 ILE 9 1HD1 ILE 9 -6.143 5.161 -5.416 72 2HD1 ILE 9 2HD1 ILE 9 -5.406 6.367 -6.482 73 3HD1 ILE 9 3HD1 ILE 9 -5.813 4.759 -7.107 74 H GLY 10 H GLY 10 -3.638 7.871 -2.984 75 1HA GLY 10 2HA GLY 10 -0.975 8.772 -2.030 76 2HA GLY 10 3HA GLY 10 -2.313 9.925 -2.053 77 HA PRO 11 HA PRO 11 -3.637 8.564 1.852 78 1HB PRO 11 2HB PRO 11 -6.389 8.212 1.707 79 2HB PRO 11 3HB PRO 11 -5.550 9.782 1.790 80 1HG PRO 11 2HG PRO 11 -6.540 8.352 -0.682 81 2HG PRO 11 3HG PRO 11 -6.750 10.069 -0.247 82 1HD PRO 11 2HD PRO 11 -4.811 9.334 -1.958 83 2HD PRO 11 3HD PRO 11 -4.454 10.553 -0.708 84 H PHE 12 H PHE 12 -5.245 6.497 -0.662 85 HA PHE 12 HA PHE 12 -5.652 4.311 1.043 86 1HB PHE 12 2HB PHE 12 -6.277 4.876 -1.542 87 2HB PHE 12 3HB PHE 12 -5.069 3.605 -1.758 88 HD1 PHE 12 1HD PHE 12 -8.440 4.076 -1.767 89 HD2 PHE 12 2HD PHE 12 -5.464 1.573 0.110 90 HE1 PHE 12 1HE PHE 12 -10.140 2.323 -1.398 91 HE2 PHE 12 2HE PHE 12 -7.180 -0.174 0.481 92 HZ PHE 12 HZ PHE 12 -9.536 0.234 -0.204 93 H THR 13 H THR 13 -2.880 4.977 -1.163 94 HA THR 13 HA THR 13 -1.546 2.506 -0.569 95 HB THR 13 HB THR 13 -1.171 3.639 -2.659 96 HG1 THR 13 1HG THR 13 1.216 3.514 -1.152 97 1HG2 THR 13 1HG2 THR 13 -1.193 5.995 -2.050 98 2HG2 THR 13 2HG2 THR 13 0.304 5.813 -1.108 99 3HG2 THR 13 3HG2 THR 13 0.312 5.581 -2.865 100 H GLN 14 H GLN 14 -1.301 5.860 0.780 101 HA GLN 14 HA GLN 14 0.801 5.187 2.618 102 1HB GLN 14 2HB GLN 14 -1.230 7.346 2.286 103 2HB GLN 14 3HB GLN 14 -0.537 7.146 3.872 104 1HG GLN 14 2HG GLN 14 1.692 7.530 3.098 105 2HG GLN 14 3HG GLN 14 1.263 7.147 1.428 106 1HE2 GLN 14 2HE2 GLN 14 0.128 9.541 3.911 107 2HE2 GLN 14 1HE2 GLN 14 0.198 10.892 2.789 108 H ASN 15 H ASN 15 -2.746 5.074 2.982 109 HA ASN 15 HA ASN 15 -2.914 4.067 5.587 110 1HB ASN 15 2HB ASN 15 -4.690 4.056 3.209 111 2HB ASN 15 3HB ASN 15 -4.881 2.626 4.200 112 1HD2 ASN 15 2HD2 ASN 15 -6.669 2.892 5.447 113 2HD2 ASN 15 1HD2 ASN 15 -7.004 4.345 6.372 114 H LEU 16 H LEU 16 -2.544 2.183 2.563 115 HA LEU 16 HA LEU 16 -2.333 -0.378 3.864 116 1HB LEU 16 2HB LEU 16 -1.320 0.638 1.182 117 2HB LEU 16 3HB LEU 16 -1.242 -1.051 1.692 118 HG LEU 16 HG LEU 16 -3.899 0.462 1.557 119 1HD1 LEU 16 1HD1 LEU 16 -2.828 0.436 -0.676 120 2HD1 LEU 16 2HD1 LEU 16 -2.724 -1.334 -0.560 121 3HD1 LEU 16 3HD1 LEU 16 -4.304 -0.531 -0.563 122 1HD2 LEU 16 1HD2 LEU 16 -3.215 -2.478 1.612 123 2HD2 LEU 16 2HD2 LEU 16 -3.884 -1.577 2.986 124 3HD2 LEU 16 3HD2 LEU 16 -4.849 -1.758 1.531 125 H ALA 17 H ALA 17 0.231 1.947 2.898 126 HA ALA 17 HA ALA 17 2.429 0.407 3.743 127 1HB ALA 17 1HB ALA 17 2.571 2.554 2.528 128 2HB ALA 17 2HB ALA 17 2.068 3.422 3.989 129 3HB ALA 17 3HB ALA 17 3.600 2.535 3.979 130 H LYS 18 H LYS 18 0.524 2.768 5.702 131 HA LYS 18 HA LYS 18 1.708 2.164 8.179 132 1HB LYS 18 2HB LYS 18 -0.482 3.755 7.196 133 2HB LYS 18 3HB LYS 18 -1.158 2.751 8.467 134 1HG LYS 18 2HG LYS 18 1.307 4.531 8.724 135 2HG LYS 18 3HG LYS 18 -0.335 4.932 9.245 136 1HD LYS 18 2HD LYS 18 -0.305 2.902 10.764 137 2HD LYS 18 3HD LYS 18 1.377 2.623 10.316 138 1HE LYS 18 2HE LYS 18 1.362 3.800 12.422 139 2HE LYS 18 3HE LYS 18 1.980 4.902 11.181 140 1HZ LYS 18 1HZ LYS 18 -0.192 5.907 11.097 141 2HZ LYS 18 2HZ LYS 18 -0.768 4.857 12.229 142 3HZ LYS 18 3HZ LYS 18 0.399 5.947 12.633 143 H PHE 19 H PHE 19 -1.177 0.732 6.671 144 HA PHE 19 HA PHE 19 -2.110 -0.976 8.603 145 1HB PHE 19 2HB PHE 19 -3.043 -0.552 6.304 146 2HB PHE 19 3HB PHE 19 -1.887 -1.710 5.675 147 HD1 PHE 19 1HD PHE 19 -2.022 -4.167 6.512 148 HD2 PHE 19 2HD PHE 19 -5.152 -1.284 7.166 149 HE1 PHE 19 1HE PHE 19 -3.730 -5.931 6.144 150 HE2 PHE 19 2HE PHE 19 -6.845 -3.063 6.862 151 HZ PHE 19 HZ PHE 19 -6.150 -5.331 6.102 152 H ALA 20 H ALA 20 0.481 -1.704 6.197 153 HA ALA 20 HA ALA 20 1.151 -4.273 6.921 154 1HB ALA 20 1HB ALA 20 2.376 -2.716 5.237 155 2HB ALA 20 2HB ALA 20 3.422 -2.291 6.585 156 3HB ALA 20 3HB ALA 20 3.301 -3.979 6.088 157 H VAL 21 H VAL 21 2.479 -1.335 8.489 158 HA VAL 21 HA VAL 21 4.014 -2.886 10.395 159 HB VAL 21 HB VAL 21 3.450 0.110 10.227 160 1HG1 VAL 21 1HG1 VAL 21 4.280 -0.527 12.470 161 2HG1 VAL 21 2HG1 VAL 21 5.539 -1.551 11.750 162 3HG1 VAL 21 3HG1 VAL 21 5.619 0.208 11.577 163 1HG2 VAL 21 1HG2 VAL 21 5.955 -1.362 9.308 164 2HG2 VAL 21 2HG2 VAL 21 4.665 -0.869 8.193 165 3HG2 VAL 21 3HG2 VAL 21 5.570 0.339 9.109 166 H ASP 22 H ASP 22 0.921 -1.135 10.370 167 HA ASP 22 HA ASP 22 0.470 -1.084 13.198 168 1HB ASP 22 2HB ASP 22 -0.709 0.381 11.621 169 2HB ASP 22 3HB ASP 22 -1.475 -1.017 10.852 170 H GLU 23 H GLU 23 -0.928 -3.296 10.639 171 HA GLU 23 HA GLU 23 -2.171 -5.085 12.425 172 1HB GLU 23 2HB GLU 23 -1.231 -5.085 9.558 173 2HB GLU 23 3HB GLU 23 -1.483 -6.617 10.326 174 1HG GLU 23 2HG GLU 23 -3.501 -5.763 9.102 175 2HG GLU 23 3HG GLU 23 -3.781 -6.183 10.794 176 H GLU 24 H GLU 24 1.176 -5.048 11.015 177 HA GLU 24 HA GLU 24 2.070 -7.370 12.291 178 1HB GLU 24 2HB GLU 24 3.370 -6.115 10.660 179 2HB GLU 24 3HB GLU 24 3.641 -4.803 11.797 180 1HG GLU 24 2HG GLU 24 4.410 -7.648 12.519 181 2HG GLU 24 3HG GLU 24 5.432 -6.660 11.486 182 H ASN 25 H ASN 25 2.123 -4.001 13.654 183 HA ASN 25 HA ASN 25 3.211 -4.701 16.166 184 1HB ASN 25 2HB ASN 25 1.609 -2.388 15.052 185 2HB ASN 25 3HB ASN 25 1.727 -2.568 16.787 186 1HD2 ASN 25 2HD2 ASN 25 3.829 -2.550 13.873 187 2HD2 ASN 25 1HD2 ASN 25 5.218 -1.833 14.695 188 H LYS 26 H LYS 26 -0.173 -4.660 15.010 189 HA LYS 26 HA LYS 26 -1.325 -5.168 17.578 190 1HB LYS 26 2HB LYS 26 -2.422 -4.074 15.701 191 2HB LYS 26 3HB LYS 26 -2.389 -5.554 14.747 192 1HG LYS 26 2HG LYS 26 -3.741 -5.560 17.457 193 2HG LYS 26 3HG LYS 26 -4.529 -4.750 16.092 194 1HD LYS 26 2HD LYS 26 -4.341 -6.822 14.725 195 2HD LYS 26 3HD LYS 26 -3.704 -7.688 16.133 196 1HE LYS 26 2HE LYS 26 -6.434 -6.329 15.949 197 2HE LYS 26 3HE LYS 26 -6.126 -8.067 15.811 198 1HZ LYS 26 1HZ LYS 26 -5.258 -8.027 18.043 199 2HZ LYS 26 2HZ LYS 26 -5.596 -6.420 18.181 200 3HZ LYS 26 3HZ LYS 26 -6.821 -7.504 17.998 201 H ILE 27 H ILE 27 -0.198 -7.295 14.965 202 HA ILE 27 HA ILE 27 -1.395 -9.679 16.239 203 HB ILE 27 HB ILE 27 -0.078 -9.176 13.547 204 1HG1 ILE 27 2HG1 ILE 27 -2.997 -9.747 14.265 205 2HG1 ILE 27 3HG1 ILE 27 -2.360 -8.119 14.035 206 1HG2 ILE 27 1HG2 ILE 27 0.290 -11.493 14.158 207 2HG2 ILE 27 2HG2 ILE 27 -1.411 -11.673 14.653 208 3HG2 ILE 27 3HG2 ILE 27 -0.975 -11.444 12.946 209 1HD1 ILE 27 1HD1 ILE 27 -1.655 -8.716 11.723 210 2HD1 ILE 27 2HD1 ILE 27 -2.516 -10.264 11.902 211 3HD1 ILE 27 3HD1 ILE 27 -3.406 -8.741 12.004 212 H GLY 28 H GLY 28 1.826 -8.630 15.113 213 1HA GLY 28 2HA GLY 28 3.927 -9.156 15.722 214 2HA GLY 28 3HA GLY 28 3.251 -9.688 17.264 215 H GLN 29 H GLN 29 2.557 -11.216 14.099 216 HA GLN 29 HA GLN 29 3.717 -13.767 15.069 217 1HB GLN 29 2HB GLN 29 1.876 -12.960 12.843 218 2HB GLN 29 3HB GLN 29 2.971 -14.304 12.532 219 1HG GLN 29 2HG GLN 29 0.993 -15.272 13.319 220 2HG GLN 29 3HG GLN 29 2.177 -15.454 14.611 221 1HE2 GLN 29 2HE2 GLN 29 2.079 -13.378 16.225 222 2HE2 GLN 29 1HE2 GLN 29 0.487 -12.797 16.615 223 H TYR 30 H TYR 30 4.596 -11.201 12.844 224 HA TYR 30 HA TYR 30 6.973 -12.792 11.939 225 1HB TYR 30 2HB TYR 30 6.715 -11.366 9.833 226 2HB TYR 30 3HB TYR 30 5.650 -12.735 10.092 227 HD1 TYR 30 1HD TYR 30 5.782 -9.099 9.728 228 HD2 TYR 30 2HD TYR 30 3.269 -12.455 10.706 229 HE1 TYR 30 1HE TYR 30 3.754 -7.753 9.223 230 HE2 TYR 30 2HE TYR 30 1.266 -11.020 10.510 231 HH TYR 30 HH TYR 30 0.489 -8.890 10.117 232 H GLY 31 H GLY 31 5.879 -9.367 12.270 233 1HA GLY 31 2HA GLY 31 7.132 -7.763 13.568 234 2HA GLY 31 3HA GLY 31 8.594 -8.699 13.352 235 H ARG 32 H ARG 32 7.581 -5.781 12.471 236 HA ARG 32 HA ARG 32 8.243 -5.996 9.627 237 1HB ARG 32 2HB ARG 32 6.285 -4.552 10.932 238 2HB ARG 32 3HB ARG 32 7.502 -3.314 10.692 239 1HG ARG 32 2HG ARG 32 6.179 -5.114 8.645 240 2HG ARG 32 3HG ARG 32 5.801 -3.449 8.923 241 1HD ARG 32 2HD ARG 32 7.235 -2.876 7.279 242 2HD ARG 32 3HD ARG 32 8.554 -3.393 8.293 243 HE ARG 32 HE ARG 32 8.808 -5.309 7.032 244 1HH1 ARG 32 1HH2 ARG 32 5.658 -3.910 6.315 245 2HH1 ARG 32 2HH2 ARG 32 5.406 -4.849 4.865 246 1HH2 ARG 32 1HH1 ARG 32 8.453 -6.627 5.197 247 2HH2 ARG 32 2HH1 ARG 32 7.008 -6.442 4.248 248 H LEU 33 H LEU 33 10.314 -6.595 11.190 249 HA LEU 33 HA LEU 33 12.554 -6.032 11.572 250 1HB LEU 33 2HB LEU 33 11.994 -4.575 8.975 251 2HB LEU 33 3HB LEU 33 13.570 -5.133 9.570 252 HG LEU 33 HG LEU 33 12.834 -6.547 7.827 253 1HD1 LEU 33 1HD1 LEU 33 14.006 -7.610 9.811 254 2HD1 LEU 33 2HD1 LEU 33 12.417 -8.128 10.396 255 3HD1 LEU 33 3HD1 LEU 33 13.023 -8.724 8.843 256 1HD2 LEU 33 1HD2 LEU 33 10.406 -7.551 9.248 257 2HD2 LEU 33 2HD2 LEU 33 10.327 -6.179 8.123 258 3HD2 LEU 33 3HD2 LEU 33 10.909 -7.762 7.575 259 H THR 34 H THR 34 13.234 -3.153 10.156 260 HA THR 34 HA THR 34 12.321 -1.454 12.443 261 HB THR 34 HB THR 34 15.135 -1.641 11.365 262 HG1 THR 34 1HG THR 34 13.853 -2.479 13.718 263 1HG2 THR 34 1HG2 THR 34 14.651 0.688 11.903 264 2HG2 THR 34 2HG2 THR 34 13.949 0.218 13.465 265 3HG2 THR 34 3HG2 THR 34 15.682 -0.005 13.157 266 H PHE 35 H PHE 35 11.039 0.009 11.473 267 HA PHE 35 HA PHE 35 10.189 0.871 9.318 268 1HB PHE 35 2HB PHE 35 11.720 2.745 11.119 269 2HB PHE 35 3HB PHE 35 10.717 3.318 9.803 270 HD1 PHE 35 1HD PHE 35 8.249 2.251 9.698 271 HD2 PHE 35 2HD PHE 35 10.635 2.889 13.237 272 HE1 PHE 35 1HE PHE 35 6.192 2.578 11.030 273 HE2 PHE 35 2HE PHE 35 8.568 3.212 14.561 274 HZ PHE 35 HZ PHE 35 6.344 3.057 13.464 275 H ASN 36 H ASN 36 11.163 0.133 7.416 276 HA ASN 36 HA ASN 36 13.752 1.262 6.631 277 1HB ASN 36 2HB ASN 36 12.335 -0.916 5.090 278 2HB ASN 36 3HB ASN 36 14.046 -0.652 5.391 279 1HD2 ASN 36 2HD2 ASN 36 10.890 -1.627 6.694 280 2HD2 ASN 36 1HD2 ASN 36 11.486 -2.678 7.961 281 H LYS 37 H LYS 37 11.706 0.302 3.965 282 HA LYS 37 HA LYS 37 10.124 2.598 3.724 283 1HB LYS 37 2HB LYS 37 12.554 3.437 3.179 284 2HB LYS 37 3HB LYS 37 12.413 2.504 1.696 285 1HG LYS 37 2HG LYS 37 10.747 3.947 0.847 286 2HG LYS 37 3HG LYS 37 10.264 4.505 2.474 287 1HD LYS 37 2HD LYS 37 12.338 5.739 2.739 288 2HD LYS 37 3HD LYS 37 12.960 5.112 1.199 289 1HE LYS 37 2HE LYS 37 11.178 6.291 -0.030 290 2HE LYS 37 3HE LYS 37 10.475 6.870 1.493 291 1HZ LYS 37 1HZ LYS 37 12.473 8.079 1.906 292 2HZ LYS 37 2HZ LYS 37 13.172 7.510 0.528 293 3HZ LYS 37 3HZ LYS 37 11.862 8.506 0.437 294 H VAL 38 H VAL 38 9.348 2.516 1.220 295 HA VAL 38 HA VAL 38 9.027 -0.312 0.365 296 HB VAL 38 HB VAL 38 6.924 0.681 0.942 297 1HG1 VAL 38 1HG1 VAL 38 7.340 3.042 0.961 298 2HG1 VAL 38 2HG1 VAL 38 7.732 3.066 -0.765 299 3HG1 VAL 38 3HG1 VAL 38 6.071 2.762 -0.228 300 1HG2 VAL 38 1HG2 VAL 38 7.261 0.576 -2.077 301 2HG2 VAL 38 2HG2 VAL 38 6.701 -0.694 -0.965 302 3HG2 VAL 38 3HG2 VAL 38 5.703 0.721 -1.248 303 H ILE 39 H ILE 39 9.653 -0.808 -1.807 304 HA ILE 39 HA ILE 39 11.827 0.828 -2.709 305 HB ILE 39 HB ILE 39 11.658 -0.453 -4.858 306 1HG1 ILE 39 2HG1 ILE 39 10.317 -2.767 -3.913 307 2HG1 ILE 39 3HG1 ILE 39 9.152 -1.447 -3.796 308 1HG2 ILE 39 1HG2 ILE 39 13.202 -1.011 -2.986 309 2HG2 ILE 39 2HG2 ILE 39 11.977 -2.141 -2.365 310 3HG2 ILE 39 3HG2 ILE 39 12.720 -2.415 -3.948 311 1HD1 ILE 39 1HD1 ILE 39 9.587 -0.878 -6.181 312 2HD1 ILE 39 2HD1 ILE 39 10.743 -2.227 -6.271 313 3HD1 ILE 39 3HD1 ILE 39 9.023 -2.547 -5.977 314 H ARG 40 H ARG 40 8.607 0.420 -4.074 315 HA ARG 40 HA ARG 40 7.213 1.712 -5.206 316 1HB ARG 40 2HB ARG 40 9.059 3.961 -4.378 317 2HB ARG 40 3HB ARG 40 7.779 4.254 -5.518 318 1HG ARG 40 2HG ARG 40 7.116 2.845 -2.926 319 2HG ARG 40 3HG ARG 40 7.443 4.584 -2.935 320 1HD ARG 40 2HD ARG 40 5.705 4.750 -4.825 321 2HD ARG 40 3HD ARG 40 5.184 3.117 -4.332 322 HE ARG 40 HE ARG 40 5.268 4.547 -1.979 323 1HH1 ARG 40 1HH2 ARG 40 3.559 4.975 -5.045 324 2HH1 ARG 40 2HH2 ARG 40 2.415 6.126 -4.411 325 1HH2 ARG 40 1HH1 ARG 40 3.796 6.076 -1.146 326 2HH2 ARG 40 2HH1 ARG 40 2.544 6.746 -2.155 327 HA PRO 41 HA PRO 41 6.122 3.060 -6.766 328 1HB PRO 41 2HB PRO 41 4.973 2.738 -9.204 329 2HB PRO 41 3HB PRO 41 6.032 4.116 -8.815 330 1HG PRO 41 2HG PRO 41 6.799 1.555 -10.233 331 2HG PRO 41 3HG PRO 41 7.125 3.235 -10.750 332 1HD PRO 41 2HD PRO 41 8.974 1.726 -9.385 333 2HD PRO 41 3HD PRO 41 8.839 3.487 -9.134 334 H CYS 42 H CYS 42 3.990 1.694 -7.593 335 HA CYS 42 HA CYS 42 4.407 -1.206 -7.077 336 1HB CYS 42 2HB CYS 42 2.670 0.686 -5.447 337 2HB CYS 42 3HB CYS 42 2.552 -1.062 -5.391 338 HG CYS 42 HG CYS 42 3.626 -0.149 -3.381 339 H MET 43 H MET 43 1.769 -2.052 -7.108 340 HA MET 43 HA MET 43 0.408 -0.646 -9.297 341 1HB MET 43 2HB MET 43 2.460 -2.239 -10.062 342 2HB MET 43 3HB MET 43 1.229 -3.478 -9.961 343 1HG MET 43 2HG MET 43 0.003 -2.516 -11.726 344 2HG MET 43 3HG MET 43 0.649 -0.895 -11.457 345 1HE MET 43 1HE MET 43 2.690 0.157 -12.457 346 2HE MET 43 2HE MET 43 3.680 -0.930 -11.459 347 3HE MET 43 3HE MET 43 4.017 -0.763 -13.193 348 H LYS 44 H LYS 44 -1.640 -1.463 -9.800 349 HA LYS 44 HA LYS 44 -2.943 -2.890 -7.545 350 1HB LYS 44 2HB LYS 44 -3.680 -0.591 -8.065 351 2HB LYS 44 3HB LYS 44 -4.090 -1.091 -9.715 352 1HG LYS 44 2HG LYS 44 -5.823 -2.642 -8.843 353 2HG LYS 44 3HG LYS 44 -5.290 -2.305 -7.188 354 1HD LYS 44 2HD LYS 44 -7.296 -1.122 -7.564 355 2HD LYS 44 3HD LYS 44 -5.972 0.054 -7.458 356 1HE LYS 44 2HE LYS 44 -5.946 0.309 -9.898 357 2HE LYS 44 3HE LYS 44 -7.197 -0.947 -10.069 358 1HZ LYS 44 1HZ LYS 44 -8.671 0.472 -8.836 359 2HZ LYS 44 2HZ LYS 44 -7.504 1.627 -8.691 360 3HZ LYS 44 3HZ LYS 44 -8.105 1.247 -10.176 361 H LYS 45 H LYS 45 -4.419 -4.551 -7.916 362 HA LYS 45 HA LYS 45 -4.542 -5.843 -10.598 363 1HB LYS 45 2HB LYS 45 -2.908 -7.057 -9.207 364 2HB LYS 45 3HB LYS 45 -4.028 -7.036 -7.860 365 1HG LYS 45 2HG LYS 45 -5.584 -8.359 -9.634 366 2HG LYS 45 3HG LYS 45 -4.065 -8.807 -10.316 367 1HD LYS 45 2HD LYS 45 -4.821 -9.132 -7.381 368 2HD LYS 45 3HD LYS 45 -5.415 -10.202 -8.614 369 1HE LYS 45 2HE LYS 45 -3.504 -11.270 -7.606 370 2HE LYS 45 3HE LYS 45 -3.031 -10.783 -9.240 371 1HZ LYS 45 1HZ LYS 45 -1.973 -8.853 -8.235 372 2HZ LYS 45 2HZ LYS 45 -2.418 -9.385 -6.729 373 3HZ LYS 45 3HZ LYS 45 -1.361 -10.265 -7.636 374 H THR 46 H THR 46 -6.589 -6.852 -10.953 375 HA THR 46 HA THR 46 -8.712 -6.550 -8.881 376 HB THR 46 HB THR 46 -9.221 -5.414 -10.971 377 HG1 THR 46 1HG THR 46 -11.191 -6.586 -11.338 378 1HG2 THR 46 1HG2 THR 46 -7.893 -6.795 -12.581 379 2HG2 THR 46 2HG2 THR 46 -9.084 -8.100 -12.396 380 3HG2 THR 46 3HG2 THR 46 -9.571 -6.525 -13.048 381 H ILE 47 H ILE 47 -9.423 -8.523 -7.988 382 HA ILE 47 HA ILE 47 -7.814 -10.863 -8.854 383 HB ILE 47 HB ILE 47 -7.080 -10.063 -6.844 384 1HG1 ILE 47 2HG1 ILE 47 -8.709 -12.620 -6.350 385 2HG1 ILE 47 3HG1 ILE 47 -7.250 -12.555 -7.347 386 1HG2 ILE 47 1HG2 ILE 47 -8.801 -8.863 -5.863 387 2HG2 ILE 47 2HG2 ILE 47 -9.910 -10.262 -5.840 388 3HG2 ILE 47 3HG2 ILE 47 -8.519 -10.183 -4.743 389 1HD1 ILE 47 1HD1 ILE 47 -5.968 -11.738 -5.369 390 2HD1 ILE 47 2HD1 ILE 47 -7.414 -12.007 -4.365 391 3HD1 ILE 47 3HD1 ILE 47 -6.649 -13.367 -5.192 392 H TYR 48 H TYR 48 -8.646 -12.831 -8.896 393 HA TYR 48 HA TYR 48 -11.528 -12.875 -9.608 394 1HB TYR 48 2HB TYR 48 -9.130 -14.529 -10.473 395 2HB TYR 48 3HB TYR 48 -10.805 -14.910 -10.826 396 HD1 TYR 48 1HD TYR 48 -10.784 -11.449 -11.072 397 HD2 TYR 48 2HD TYR 48 -9.361 -14.945 -13.129 398 HE1 TYR 48 1HE TYR 48 -10.630 -10.139 -13.167 399 HE2 TYR 48 2HE TYR 48 -9.339 -13.682 -15.253 400 HH TYR 48 HH TYR 48 -9.769 -11.677 -16.285 401 H GLU 49 H GLU 49 -12.841 -14.413 -8.941 402 HA GLU 49 HA GLU 49 -12.258 -15.674 -6.361 403 1HB GLU 49 2HB GLU 49 -14.336 -14.211 -7.218 404 2HB GLU 49 3HB GLU 49 -14.865 -15.733 -7.907 405 1HG GLU 49 2HG GLU 49 -14.134 -16.419 -5.258 406 2HG GLU 49 3HG GLU 49 -14.802 -14.795 -5.082 407 H ASN 50 H ASN 50 -10.783 -16.829 -8.232 408 HA ASN 50 HA ASN 50 -11.918 -18.573 -10.070 409 1HB ASN 50 2HB ASN 50 -9.575 -17.804 -10.076 410 2HB ASN 50 3HB ASN 50 -9.198 -18.952 -8.778 411 1HD2 ASN 50 2HD2 ASN 50 -7.730 -19.232 -11.037 412 2HD2 ASN 50 1HD2 ASN 50 -8.293 -20.597 -11.990 413 H GLU 51 H GLU 51 -13.639 -19.596 -8.981 414 HA GLU 51 HA GLU 51 -13.041 -22.282 -8.078 415 1HB GLU 51 2HB GLU 51 -14.044 -20.059 -6.398 416 2HB GLU 51 3HB GLU 51 -15.148 -21.433 -6.399 417 1HG GLU 51 2HG GLU 51 -13.338 -22.960 -5.740 418 2HG GLU 51 3HG GLU 51 -12.184 -21.615 -5.742 419 H GLY 52 H GLY 52 -13.728 -22.655 -10.272 420 1HA GLY 52 2HA GLY 52 -15.321 -23.594 -11.645 421 2HA GLY 52 3HA GLY 52 -16.593 -23.083 -10.530 422 H PHE 53 H PHE 53 -16.245 -20.443 -10.317 423 HA PHE 53 HA PHE 53 -16.615 -19.312 -13.072 424 1HB PHE 53 2HB PHE 53 -18.030 -18.684 -10.462 425 2HB PHE 53 3HB PHE 53 -18.080 -17.638 -11.871 426 HD1 PHE 53 1HD PHE 53 -19.398 -18.166 -13.837 427 HD2 PHE 53 2HD PHE 53 -19.075 -20.994 -10.592 428 HE1 PHE 53 1HE PHE 53 -21.232 -19.507 -14.820 429 HE2 PHE 53 2HE PHE 53 -20.902 -22.341 -11.595 430 HZ PHE 53 HZ PHE 53 -21.985 -21.597 -13.707 431 H ARG 54 H ARG 54 -15.162 -17.892 -13.586 432 HA ARG 54 HA ARG 54 -13.237 -16.581 -11.864 433 1HB ARG 54 2HB ARG 54 -12.663 -15.414 -14.003 434 2HB ARG 54 3HB ARG 54 -12.841 -17.155 -14.226 435 1HG ARG 54 2HG ARG 54 -15.319 -16.569 -14.965 436 2HG ARG 54 3HG ARG 54 -14.731 -14.935 -15.132 437 1HD ARG 54 2HD ARG 54 -13.104 -17.072 -16.488 438 2HD ARG 54 3HD ARG 54 -14.760 -16.819 -17.063 439 HE ARG 54 HE ARG 54 -13.428 -14.303 -16.804 440 1HH1 ARG 54 1HH2 ARG 54 -13.560 -17.179 -18.850 441 2HH1 ARG 54 2HH2 ARG 54 -13.294 -16.317 -20.340 442 1HH2 ARG 54 1HH1 ARG 54 -13.096 -13.149 -18.756 443 2HH2 ARG 54 2HH1 ARG 54 -13.001 -13.989 -20.280 444 H GLU 55 H GLU 55 -15.430 -16.030 -10.501 445 HA GLU 55 HA GLU 55 -16.656 -13.501 -11.321 446 1HB GLU 55 2HB GLU 55 -17.530 -15.536 -9.797 447 2HB GLU 55 3HB GLU 55 -16.836 -14.565 -8.508 448 1HG GLU 55 2HG GLU 55 -18.637 -13.099 -10.425 449 2HG GLU 55 3HG GLU 55 -19.394 -14.392 -9.508 450 H ILE 56 H ILE 56 -16.573 -11.758 -9.285 451 HA ILE 56 HA ILE 56 -13.673 -11.019 -9.220 452 HB ILE 56 HB ILE 56 -16.219 -9.388 -9.018 453 1HG1 ILE 56 2HG1 ILE 56 -14.297 -8.774 -11.180 454 2HG1 ILE 56 3HG1 ILE 56 -14.908 -10.417 -11.311 455 1HG2 ILE 56 1HG2 ILE 56 -14.511 -8.319 -7.653 456 2HG2 ILE 56 2HG2 ILE 56 -13.295 -8.524 -8.931 457 3HG2 ILE 56 3HG2 ILE 56 -14.668 -7.424 -9.170 458 1HD1 ILE 56 1HD1 ILE 56 -17.231 -9.609 -11.217 459 2HD1 ILE 56 2HD1 ILE 56 -16.647 -7.935 -11.071 460 3HD1 ILE 56 3HD1 ILE 56 -16.332 -8.864 -12.552 461 H LYS 57 H LYS 57 -12.686 -11.446 -7.295 462 HA LYS 57 HA LYS 57 -14.320 -11.835 -4.885 463 1HB LYS 57 2HB LYS 57 -12.196 -13.158 -5.676 464 2HB LYS 57 3HB LYS 57 -11.300 -11.841 -4.926 465 1HG LYS 57 2HG LYS 57 -13.288 -13.743 -3.608 466 2HG LYS 57 3HG LYS 57 -11.534 -13.729 -3.425 467 1HD LYS 57 2HD LYS 57 -11.777 -11.384 -2.405 468 2HD LYS 57 3HD LYS 57 -13.529 -11.679 -2.396 469 1HE LYS 57 2HE LYS 57 -13.177 -13.729 -1.034 470 2HE LYS 57 3HE LYS 57 -11.444 -13.359 -0.957 471 1HZ LYS 57 1HZ LYS 57 -12.007 -11.294 0.113 472 2HZ LYS 57 2HZ LYS 57 -13.616 -11.651 0.039 473 3HZ LYS 57 3HZ LYS 57 -12.610 -12.574 0.962 474 H GLY 58 H GLY 58 -11.988 -9.495 -6.301 475 1HA GLY 58 2HA GLY 58 -13.050 -7.189 -5.168 476 2HA GLY 58 3HA GLY 58 -11.875 -7.804 -3.988 477 H TYR 59 H TYR 59 -10.853 -5.822 -4.435 478 HA TYR 59 HA TYR 59 -9.078 -5.813 -6.831 479 1HB TYR 59 2HB TYR 59 -9.768 -3.657 -4.795 480 2HB TYR 59 3HB TYR 59 -8.405 -3.530 -5.886 481 HD1 TYR 59 1HD TYR 59 -9.084 -4.199 -8.511 482 HD2 TYR 59 2HD TYR 59 -11.740 -2.546 -5.530 483 HE1 TYR 59 1HE TYR 59 -10.341 -3.065 -10.270 484 HE2 TYR 59 2HE TYR 59 -13.098 -1.535 -7.347 485 HH TYR 59 HH TYR 59 -12.160 -1.754 -10.782 486 H GLU 60 H GLU 60 -6.780 -5.396 -6.334 487 HA GLU 60 HA GLU 60 -5.874 -6.194 -3.651 488 1HB GLU 60 2HB GLU 60 -5.562 -7.525 -6.297 489 2HB GLU 60 3HB GLU 60 -4.042 -7.281 -5.442 490 1HG GLU 60 2HG GLU 60 -5.912 -8.431 -3.600 491 2HG GLU 60 3HG GLU 60 -6.035 -9.355 -5.064 492 H TYR 61 H TYR 61 -3.899 -5.216 -3.173 493 HA TYR 61 HA TYR 61 -2.795 -3.285 -5.197 494 1HB TYR 61 2HB TYR 61 -2.950 -2.929 -2.192 495 2HB TYR 61 3HB TYR 61 -2.189 -1.831 -3.338 496 HD1 TYR 61 1HD TYR 61 -5.284 -2.728 -1.671 497 HD2 TYR 61 2HD TYR 61 -3.667 -0.607 -5.058 498 HE1 TYR 61 1HE TYR 61 -7.469 -1.685 -2.065 499 HE2 TYR 61 2HE TYR 61 -5.831 0.604 -5.291 500 HH TYR 61 HH TYR 61 -8.738 -0.420 -3.462 501 H GLN 62 H GLN 62 -0.897 -4.093 -5.852 502 HA GLN 62 HA GLN 62 0.521 -6.075 -4.168 503 1HB GLN 62 2HB GLN 62 -0.046 -6.595 -6.517 504 2HB GLN 62 3HB GLN 62 0.953 -5.213 -7.024 505 1HG GLN 62 2HG GLN 62 2.122 -7.410 -5.281 506 2HG GLN 62 3HG GLN 62 1.959 -7.648 -7.021 507 1HE2 GLN 62 2HE2 GLN 62 2.954 -5.964 -8.487 508 2HE2 GLN 62 1HE2 GLN 62 4.444 -5.228 -7.922 509 H LEU 63 H LEU 63 1.775 -5.082 -2.730 510 HA LEU 63 HA LEU 63 3.301 -2.639 -3.473 511 1HB LEU 63 2HB LEU 63 2.487 -3.646 -0.733 512 2HB LEU 63 3HB LEU 63 3.253 -2.104 -1.085 513 HG LEU 63 HG LEU 63 0.538 -2.721 -2.334 514 1HD1 LEU 63 1HD1 LEU 63 0.280 -3.352 -0.008 515 2HD1 LEU 63 2HD1 LEU 63 0.980 -1.799 0.512 516 3HD1 LEU 63 3HD1 LEU 63 -0.561 -1.843 -0.371 517 1HD2 LEU 63 1HD2 LEU 63 1.844 -0.159 -1.325 518 2HD2 LEU 63 2HD2 LEU 63 1.690 -0.665 -3.026 519 3HD2 LEU 63 3HD2 LEU 63 0.244 -0.295 -2.080 520 H TYR 64 H TYR 64 5.460 -2.531 -2.544 521 HA TYR 64 HA TYR 64 6.738 -5.161 -2.009 522 1HB TYR 64 2HB TYR 64 7.003 -3.141 -4.232 523 2HB TYR 64 3HB TYR 64 8.475 -3.849 -3.604 524 HD1 TYR 64 1HD TYR 64 7.964 -6.618 -3.084 525 HD2 TYR 64 2HD TYR 64 6.715 -4.148 -6.385 526 HE1 TYR 64 1HE TYR 64 8.070 -8.569 -4.568 527 HE2 TYR 64 2HE TYR 64 6.753 -6.142 -7.868 528 HH TYR 64 HH TYR 64 7.663 -9.388 -6.682 529 H VAL 65 H VAL 65 7.139 -4.792 0.143 530 HA VAL 65 HA VAL 65 8.138 -2.128 0.937 531 HB VAL 65 HB VAL 65 7.290 -4.439 2.685 532 1HG1 VAL 65 1HG1 VAL 65 8.917 -2.978 3.821 533 2HG1 VAL 65 2HG1 VAL 65 8.061 -1.531 3.258 534 3HG1 VAL 65 3HG1 VAL 65 7.304 -2.607 4.438 535 1HG2 VAL 65 1HG2 VAL 65 5.893 -1.839 1.898 536 2HG2 VAL 65 2HG2 VAL 65 5.383 -3.471 1.424 537 3HG2 VAL 65 3HG2 VAL 65 5.313 -2.983 3.121 538 H TYR 66 H TYR 66 10.276 -1.770 1.523 539 HA TYR 66 HA TYR 66 12.096 -3.960 0.812 540 1HB TYR 66 2HB TYR 66 12.048 -1.581 -0.237 541 2HB TYR 66 3HB TYR 66 12.801 -1.046 1.229 542 HD1 TYR 66 1HD TYR 66 13.265 -4.006 -1.007 543 HD2 TYR 66 2HD TYR 66 15.088 -0.579 0.818 544 HE1 TYR 66 1HE TYR 66 15.492 -4.823 -1.746 545 HE2 TYR 66 2HE TYR 66 17.280 -1.256 -0.125 546 HH TYR 66 HH TYR 66 17.814 -4.455 -1.556 547 H ALA 67 H ALA 67 11.569 -4.975 2.955 548 HA ALA 67 HA ALA 67 12.354 -3.335 5.272 549 1HB ALA 67 1HB ALA 67 10.085 -4.439 5.216 550 2HB ALA 67 2HB ALA 67 10.923 -5.957 5.599 551 3HB ALA 67 3HB ALA 67 11.053 -4.585 6.687 552 H SER 68 H SER 68 14.006 -4.016 6.777 553 HA SER 68 HA SER 68 16.095 -4.715 7.098 554 1HB SER 68 2HB SER 68 15.001 -6.631 8.023 555 2HB SER 68 3HB SER 68 14.981 -7.449 6.439 556 HG SER 68 HG SER 68 17.331 -7.218 6.573 557 H ASP 69 H ASP 69 15.536 -3.745 4.388 558 HA ASP 69 HA ASP 69 16.509 -3.519 2.377 559 1HB ASP 69 2HB ASP 69 18.526 -3.284 3.833 560 2HB ASP 69 3HB ASP 69 18.867 -5.000 3.595 561 H LYS 70 H LYS 70 14.858 -5.988 2.978 562 HA LYS 70 HA LYS 70 15.730 -7.655 0.657 563 1HB LYS 70 2HB LYS 70 14.172 -8.406 3.167 564 2HB LYS 70 3HB LYS 70 14.016 -9.278 1.650 565 1HG LYS 70 2HG LYS 70 15.487 -10.530 2.887 566 2HG LYS 70 3HG LYS 70 16.490 -9.737 1.667 567 1HD LYS 70 2HD LYS 70 17.390 -8.194 3.257 568 2HD LYS 70 3HD LYS 70 16.154 -8.575 4.465 569 1HE LYS 70 2HE LYS 70 18.277 -10.547 3.500 570 2HE LYS 70 3HE LYS 70 18.398 -9.562 4.969 571 1HZ LYS 70 1HZ LYS 70 16.422 -10.614 5.786 572 2HZ LYS 70 2HZ LYS 70 16.315 -11.562 4.443 573 3HZ LYS 70 3HZ LYS 70 17.592 -11.729 5.467 574 H LEU 71 H LEU 71 14.040 -8.125 -0.797 575 HA LEU 71 HA LEU 71 12.034 -5.980 -0.987 576 1HB LEU 71 2HB LEU 71 13.778 -7.068 -2.741 577 2HB LEU 71 3HB LEU 71 12.425 -8.132 -3.061 578 HG LEU 71 HG LEU 71 12.090 -5.104 -3.152 579 1HD1 LEU 71 1HD1 LEU 71 14.008 -5.607 -4.574 580 2HD1 LEU 71 2HD1 LEU 71 13.112 -6.932 -5.352 581 3HD1 LEU 71 3HD1 LEU 71 12.587 -5.247 -5.566 582 1HD2 LEU 71 1HD2 LEU 71 10.722 -7.380 -4.621 583 2HD2 LEU 71 2HD2 LEU 71 10.142 -6.608 -3.126 584 3HD2 LEU 71 3HD2 LEU 71 10.283 -5.655 -4.629 585 H PHE 72 H PHE 72 10.554 -6.577 0.722 586 HA PHE 72 HA PHE 72 9.495 -9.358 0.752 587 1HB PHE 72 2HB PHE 72 9.158 -6.925 2.521 588 2HB PHE 72 3HB PHE 72 8.137 -8.321 2.654 589 HD1 PHE 72 1HD PHE 72 11.210 -6.935 3.679 590 HD2 PHE 72 2HD PHE 72 9.137 -10.641 3.147 591 HE1 PHE 72 1HE PHE 72 12.742 -7.998 5.358 592 HE2 PHE 72 2HE PHE 72 10.642 -11.722 4.800 593 HZ PHE 72 HZ PHE 72 12.448 -10.410 5.894 594 H ARG 73 H ARG 73 7.863 -9.819 -0.719 595 HA ARG 73 HA ARG 73 6.371 -7.762 -2.028 596 1HB ARG 73 2HB ARG 73 6.808 -10.314 -2.698 597 2HB ARG 73 3HB ARG 73 5.370 -10.582 -1.707 598 1HG ARG 73 2HG ARG 73 4.432 -8.539 -3.246 599 2HG ARG 73 3HG ARG 73 5.695 -9.138 -4.316 600 1HD ARG 73 2HD ARG 73 4.639 -11.461 -4.039 601 2HD ARG 73 3HD ARG 73 3.287 -10.614 -3.248 602 HE ARG 73 HE ARG 73 4.107 -9.526 -5.845 603 1HH1 ARG 73 1HH2 ARG 73 1.977 -11.869 -4.261 604 2HH1 ARG 73 2HH2 ARG 73 0.948 -12.076 -5.649 605 1HH2 ARG 73 1HH1 ARG 73 2.832 -9.855 -7.681 606 2HH2 ARG 73 2HH1 ARG 73 1.450 -10.914 -7.636 607 H ALA 74 H ALA 74 4.204 -7.070 -1.541 608 HA ALA 74 HA ALA 74 2.861 -8.357 0.729 609 1HB ALA 74 1HB ALA 74 4.055 -6.766 1.965 610 2HB ALA 74 2HB ALA 74 3.760 -5.480 0.766 611 3HB ALA 74 3HB ALA 74 2.414 -6.128 1.723 612 H ASP 75 H ASP 75 1.078 -8.983 -0.428 613 HA ASP 75 HA ASP 75 -0.185 -7.057 -2.315 614 1HB ASP 75 2HB ASP 75 -1.237 -9.041 -3.298 615 2HB ASP 75 3HB ASP 75 0.521 -9.048 -3.456 616 H ILE 76 H ILE 76 -1.852 -6.014 -1.313 617 HA ILE 76 HA ILE 76 -3.315 -7.439 0.882 618 HB ILE 76 HB ILE 76 -2.724 -4.672 0.409 619 1HG1 ILE 76 2HG1 ILE 76 -4.122 -4.364 2.501 620 2HG1 ILE 76 3HG1 ILE 76 -4.602 -6.044 2.385 621 1HG2 ILE 76 1HG2 ILE 76 -4.715 -4.652 -1.081 622 2HG2 ILE 76 2HG2 ILE 76 -5.732 -5.065 0.324 623 3HG2 ILE 76 3HG2 ILE 76 -4.813 -3.571 0.310 624 1HD1 ILE 76 1HD1 ILE 76 -2.205 -6.726 2.627 625 2HD1 ILE 76 2HD1 ILE 76 -1.758 -5.021 2.608 626 3HD1 ILE 76 3HD1 ILE 76 -2.706 -5.678 3.952 627 H SER 77 H SER 77 -5.637 -7.608 0.734 628 HA SER 77 HA SER 77 -6.750 -7.445 -1.990 629 1HB SER 77 2HB SER 77 -6.578 -9.826 -0.228 630 2HB SER 77 3HB SER 77 -8.267 -9.412 -0.552 631 HG SER 77 HG SER 77 -7.249 -10.884 -2.070 632 H GLU 78 H GLU 78 -8.865 -6.862 -2.166 633 HA GLU 78 HA GLU 78 -10.011 -5.627 0.243 634 1HB GLU 78 2HB GLU 78 -10.309 -4.970 -2.716 635 2HB GLU 78 3HB GLU 78 -11.445 -4.385 -1.524 636 1HG GLU 78 2HG GLU 78 -9.258 -3.561 -0.246 637 2HG GLU 78 3HG GLU 78 -8.547 -3.668 -1.863 638 H ASP 79 H ASP 79 -12.281 -5.726 0.391 639 HA ASP 79 HA ASP 79 -13.555 -8.246 -0.596 640 1HB ASP 79 2HB ASP 79 -13.600 -7.857 1.818 641 2HB ASP 79 3HB ASP 79 -14.313 -6.264 1.589 642 H TYR 80 H TYR 80 -14.227 -7.737 -2.687 643 HA TYR 80 HA TYR 80 -15.180 -5.470 -3.795 644 1HB TYR 80 2HB TYR 80 -15.019 -7.863 -4.780 645 2HB TYR 80 3HB TYR 80 -16.613 -8.135 -4.133 646 HD1 TYR 80 1HD TYR 80 -18.090 -8.252 -5.963 647 HD2 TYR 80 2HD TYR 80 -14.900 -5.345 -6.061 648 HE1 TYR 80 1HE TYR 80 -18.801 -7.538 -8.215 649 HE2 TYR 80 2HE TYR 80 -15.645 -4.610 -8.299 650 HH TYR 80 HH TYR 80 -18.394 -6.130 -9.994 651 H LYS 81 H LYS 81 -16.976 -7.325 -1.349 652 HA LYS 81 HA LYS 81 -19.568 -6.400 -1.981 653 1HB LYS 81 2HB LYS 81 -19.314 -8.275 -0.604 654 2HB LYS 81 3HB LYS 81 -18.339 -7.414 0.583 655 1HG LYS 81 2HG LYS 81 -21.105 -6.339 0.125 656 2HG LYS 81 3HG LYS 81 -20.971 -7.925 0.901 657 1HD LYS 81 2HD LYS 81 -19.428 -7.049 2.591 658 2HD LYS 81 3HD LYS 81 -19.483 -5.446 1.854 659 1HE LYS 81 2HE LYS 81 -21.886 -5.257 2.335 660 2HE LYS 81 3HE LYS 81 -21.891 -6.890 3.033 661 1HZ LYS 81 1HZ LYS 81 -20.337 -6.115 4.676 662 2HZ LYS 81 2HZ LYS 81 -20.353 -4.599 4.028 663 3HZ LYS 81 3HZ LYS 81 -21.720 -5.219 4.713 664 H THR 82 H THR 82 -17.158 -4.883 0.422 665 HA THR 82 HA THR 82 -18.693 -2.353 -0.151 666 HB THR 82 HB THR 82 -17.494 -3.421 2.422 667 HG1 THR 82 1HG THR 82 -19.691 -2.573 3.002 668 1HG2 THR 82 1HG2 THR 82 -16.687 -1.166 2.285 669 2HG2 THR 82 2HG2 THR 82 -18.247 -0.596 1.638 670 3HG2 THR 82 3HG2 THR 82 -18.110 -1.163 3.329 671 H ARG 83 H ARG 83 -15.650 -3.263 1.236 672 HA ARG 83 HA ARG 83 -13.580 -2.664 -0.330 673 1HB ARG 83 2HB ARG 83 -14.956 -0.116 0.305 674 2HB ARG 83 3HB ARG 83 -13.199 -0.092 0.387 675 1HG ARG 83 2HG ARG 83 -12.862 -0.598 -1.847 676 2HG ARG 83 3HG ARG 83 -14.444 -1.313 -2.054 677 1HD ARG 83 2HD ARG 83 -15.177 1.252 -1.447 678 2HD ARG 83 3HD ARG 83 -13.632 1.564 -2.236 679 HE ARG 83 HE ARG 83 -16.143 0.671 -3.364 680 1HH1 ARG 83 1HH2 ARG 83 -12.668 0.384 -3.863 681 2HH1 ARG 83 2HH2 ARG 83 -12.793 -0.095 -5.536 682 1HH2 ARG 83 1HH1 ARG 83 -16.350 0.001 -5.505 683 2HH2 ARG 83 2HH1 ARG 83 -14.954 -0.319 -6.494 684 H GLY 84 H GLY 84 -14.152 -4.224 1.737 685 1HA GLY 84 2HA GLY 84 -12.899 -3.238 4.209 686 2HA GLY 84 3HA GLY 84 -13.507 -4.877 3.900 687 H ARG 85 H ARG 85 -10.810 -4.229 4.804 688 HA ARG 85 HA ARG 85 -9.131 -4.991 2.457 689 1HB ARG 85 2HB ARG 85 -7.500 -3.873 4.491 690 2HB ARG 85 3HB ARG 85 -7.845 -3.267 2.885 691 1HG ARG 85 2HG ARG 85 -8.255 -1.529 4.455 692 2HG ARG 85 3HG ARG 85 -9.788 -2.001 3.743 693 1HD ARG 85 2HD ARG 85 -9.349 -3.564 6.176 694 2HD ARG 85 3HD ARG 85 -8.997 -1.865 6.520 695 HE ARG 85 HE ARG 85 -11.390 -1.819 5.111 696 1HH1 ARG 85 1HH2 ARG 85 -10.210 -3.107 8.184 697 2HH1 ARG 85 2HH2 ARG 85 -11.730 -2.912 9.010 698 1HH2 ARG 85 1HH1 ARG 85 -13.384 -1.576 6.167 699 2HH2 ARG 85 2HH1 ARG 85 -13.572 -2.036 7.837 700 H LYS 86 H LYS 86 -8.011 -6.869 2.610 701 HA LYS 86 HA LYS 86 -7.880 -8.259 5.239 702 1HB LYS 86 2HB LYS 86 -8.693 -9.212 2.505 703 2HB LYS 86 3HB LYS 86 -7.800 -10.323 3.536 704 1HG LYS 86 2HG LYS 86 -10.411 -8.966 4.339 705 2HG LYS 86 3HG LYS 86 -10.213 -10.616 3.748 706 1HD LYS 86 2HD LYS 86 -10.022 -11.222 5.914 707 2HD LYS 86 3HD LYS 86 -8.369 -10.669 5.764 708 1HE LYS 86 2HE LYS 86 -8.840 -9.332 7.551 709 2HE LYS 86 3HE LYS 86 -9.695 -8.284 6.427 710 1HZ LYS 86 1HZ LYS 86 -11.694 -9.523 6.869 711 2HZ LYS 86 2HZ LYS 86 -10.899 -10.475 7.954 712 3HZ LYS 86 3HZ LYS 86 -11.071 -8.864 8.247 713 H LEU 87 H LEU 87 -6.096 -9.099 5.908 714 HA LEU 87 HA LEU 87 -3.621 -8.113 4.837 715 1HB LEU 87 2HB LEU 87 -4.367 -8.395 7.238 716 2HB LEU 87 3HB LEU 87 -4.143 -10.130 7.071 717 HG LEU 87 HG LEU 87 -1.997 -7.976 6.804 718 1HD1 LEU 87 1HD1 LEU 87 -2.936 -8.292 9.095 719 2HD1 LEU 87 2HD1 LEU 87 -2.521 -10.015 9.010 720 3HD1 LEU 87 3HD1 LEU 87 -1.241 -8.786 8.979 721 1HD2 LEU 87 1HD2 LEU 87 -1.737 -11.026 6.818 722 2HD2 LEU 87 2HD2 LEU 87 -1.289 -9.942 5.485 723 3HD2 LEU 87 3HD2 LEU 87 -0.384 -9.897 6.997 724 H LEU 88 H LEU 88 -3.374 -9.075 2.784 725 HA LEU 88 HA LEU 88 -2.509 -11.947 2.806 726 1HB LEU 88 2HB LEU 88 -3.619 -10.127 0.681 727 2HB LEU 88 3HB LEU 88 -2.578 -11.475 0.227 728 HG LEU 88 HG LEU 88 -4.910 -11.982 -0.039 729 1HD1 LEU 88 1HD1 LEU 88 -3.308 -13.800 0.527 730 2HD1 LEU 88 2HD1 LEU 88 -3.795 -13.674 2.232 731 3HD1 LEU 88 3HD1 LEU 88 -4.980 -14.148 1.008 732 1HD2 LEU 88 1HD2 LEU 88 -5.329 -11.874 2.962 733 2HD2 LEU 88 2HD2 LEU 88 -5.791 -10.561 1.856 734 3HD2 LEU 88 3HD2 LEU 88 -6.522 -12.169 1.695 735 H ARG 89 H ARG 89 -1.338 -8.796 2.989 736 HA ARG 89 HA ARG 89 0.984 -8.782 1.628 737 1HB ARG 89 2HB ARG 89 1.855 -7.302 3.535 738 2HB ARG 89 3HB ARG 89 0.381 -6.774 2.744 739 1HG ARG 89 2HG ARG 89 -0.962 -7.593 4.617 740 2HG ARG 89 3HG ARG 89 0.491 -8.297 5.359 741 1HD ARG 89 2HD ARG 89 -0.109 -6.163 6.386 742 2HD ARG 89 3HD ARG 89 1.481 -6.100 5.642 743 HE ARG 89 HE ARG 89 -1.005 -4.688 4.810 744 1HH1 ARG 89 1HH2 ARG 89 2.381 -5.320 3.990 745 2HH1 ARG 89 2HH2 ARG 89 2.476 -3.971 2.887 746 1HH2 ARG 89 1HH1 ARG 89 -0.837 -2.919 3.458 747 2HH2 ARG 89 2HH1 ARG 89 0.633 -2.596 2.593 748 H PHE 90 H PHE 90 3.209 -8.693 2.537 749 HA PHE 90 HA PHE 90 5.082 -9.604 3.284 750 1HB PHE 90 2HB PHE 90 3.307 -9.796 5.468 751 2HB PHE 90 3HB PHE 90 4.164 -11.313 5.426 752 HD1 PHE 90 1HD PHE 90 4.304 -7.816 6.262 753 HD2 PHE 90 2HD PHE 90 6.768 -11.241 5.484 754 HE1 PHE 90 1HE PHE 90 5.973 -7.049 7.994 755 HE2 PHE 90 2HE PHE 90 8.580 -10.260 6.868 756 HZ PHE 90 HZ PHE 90 8.173 -8.193 8.209 757 H ASN 91 H ASN 91 5.371 -10.675 1.346 758 HA ASN 91 HA ASN 91 5.095 -13.622 1.398 759 1HB ASN 91 2HB ASN 91 3.499 -11.773 -0.240 760 2HB ASN 91 3HB ASN 91 4.537 -12.755 -1.270 761 1HD2 ASN 91 2HD2 ASN 91 1.506 -12.752 0.275 762 2HD2 ASN 91 1HD2 ASN 91 1.260 -14.482 0.209 763 H GLY 92 H GLY 92 6.382 -14.641 -0.281 764 1HA GLY 92 2HA GLY 92 8.261 -14.721 -1.714 765 2HA GLY 92 3HA GLY 92 8.760 -13.114 -1.204 766 HA PRO 93 HA PRO 93 10.042 -12.076 0.408 767 1HB PRO 93 2HB PRO 93 12.706 -11.932 0.966 768 2HB PRO 93 3HB PRO 93 11.468 -12.086 2.240 769 1HG PRO 93 2HG PRO 93 13.092 -14.319 0.989 770 2HG PRO 93 3HG PRO 93 12.879 -13.972 2.732 771 1HD PRO 93 2HD PRO 93 11.343 -15.819 1.448 772 2HD PRO 93 3HD PRO 93 10.623 -14.755 2.683 773 H VAL 94 H VAL 94 11.296 -10.866 -1.240 774 HA VAL 94 HA VAL 94 12.157 -12.574 -3.513 775 HB VAL 94 HB VAL 94 10.843 -9.847 -3.358 776 1HG1 VAL 94 1HG1 VAL 94 12.581 -9.581 -4.992 777 2HG1 VAL 94 2HG1 VAL 94 12.092 -11.099 -5.796 778 3HG1 VAL 94 3HG1 VAL 94 10.995 -9.695 -5.761 779 1HG2 VAL 94 1HG2 VAL 94 10.081 -12.410 -4.772 780 2HG2 VAL 94 2HG2 VAL 94 9.362 -11.809 -3.268 781 3HG2 VAL 94 3HG2 VAL 94 9.166 -10.894 -4.763 782 HA PRO 95 HA PRO 95 16.143 -10.780 -2.394 783 1HB PRO 95 2HB PRO 95 17.711 -11.745 -4.416 784 2HB PRO 95 3HB PRO 95 17.081 -12.789 -3.109 785 1HG PRO 95 2HG PRO 95 15.919 -12.389 -5.878 786 2HG PRO 95 3HG PRO 95 16.248 -13.936 -5.045 787 1HD PRO 95 2HD PRO 95 13.779 -12.771 -5.069 788 2HD PRO 95 3HD PRO 95 14.361 -13.667 -3.632 789 HA PRO 96 HA PRO 96 15.924 -7.124 -4.890 790 1HB PRO 96 2HB PRO 96 18.417 -6.002 -4.641 791 2HB PRO 96 3HB PRO 96 17.210 -6.063 -3.324 792 1HG PRO 96 2HG PRO 96 19.517 -7.967 -3.802 793 2HG PRO 96 3HG PRO 96 19.063 -7.162 -2.273 794 1HD PRO 96 2HD PRO 96 18.303 -9.716 -2.836 795 2HD PRO 96 3HD PRO 96 17.198 -8.602 -1.976 796 HA PRO 97 HA PRO 97 17.715 -8.940 -8.685 797 1HB PRO 97 2HB PRO 97 16.335 -7.553 -10.573 798 2HB PRO 97 3HB PRO 97 15.567 -8.817 -9.567 799 1HG PRO 97 2HG PRO 97 15.520 -5.818 -9.114 800 2HG PRO 97 3HG PRO 97 14.130 -6.945 -9.120 801 1HD PRO 97 2HD PRO 97 15.367 -6.151 -6.823 802 2HD PRO 97 3HD PRO 97 14.720 -7.812 -7.002 Start of MODEL 11 1 1H MET 1 1H MET 1 -11.244 -2.155 -11.635 2 2H MET 1 2H MET 1 -10.554 -2.928 -12.351 3 3H MET 1 3H MET 1 -12.176 -2.065 -12.535 4 HA MET 1 HA MET 1 -12.357 -3.228 -14.206 5 1HB MET 1 2HB MET 1 -10.198 -1.128 -13.807 6 2HB MET 1 3HB MET 1 -10.632 -1.731 -15.411 7 1HG MET 1 2HG MET 1 -12.950 -1.063 -15.127 8 2HG MET 1 3HG MET 1 -12.630 -0.435 -13.508 9 1HE MET 1 1HE MET 1 -11.324 1.730 -12.973 10 2HE MET 1 2HE MET 1 -9.870 1.158 -13.831 11 3HE MET 1 3HE MET 1 -10.544 2.759 -14.196 12 H GLY 2 H GLY 2 -11.358 -4.458 -15.846 13 1HA GLY 2 2HA GLY 2 -9.682 -6.547 -14.874 14 2HA GLY 2 3HA GLY 2 -10.160 -6.270 -16.559 15 H GLU 3 H GLU 3 -7.612 -7.203 -15.744 16 HA GLU 3 HA GLU 3 -5.457 -6.982 -16.177 17 1HB GLU 3 2HB GLU 3 -6.334 -5.644 -18.216 18 2HB GLU 3 3HB GLU 3 -5.803 -4.196 -17.353 19 1HG GLU 3 2HG GLU 3 -3.500 -4.848 -17.521 20 2HG GLU 3 3HG GLU 3 -3.921 -6.541 -17.868 21 H TRP 4 H TRP 4 -3.604 -5.176 -15.664 22 HA TRP 4 HA TRP 4 -4.068 -4.472 -12.838 23 1HB TRP 4 2HB TRP 4 -1.501 -4.384 -14.461 24 2HB TRP 4 3HB TRP 4 -1.681 -4.059 -12.765 25 HD1 TRP 4 HD TRP 4 -2.440 -7.125 -15.052 26 HE1 TRP 4 1HE TRP 4 -1.776 -9.234 -13.793 27 HE3 TRP 4 3HE TRP 4 -0.893 -4.975 -10.716 28 HZ2 TRP 4 2HZ TRP 4 -0.667 -9.923 -11.188 29 HZ3 TRP 4 3HZ TRP 4 -0.048 -6.367 -8.836 30 HH2 TRP 4 HH TRP 4 0.085 -8.843 -9.070 31 H GLU 5 H GLU 5 -3.349 -2.396 -12.039 32 HA GLU 5 HA GLU 5 -3.511 -0.120 -13.892 33 1HB GLU 5 2HB GLU 5 -5.400 -0.800 -11.611 34 2HB GLU 5 3HB GLU 5 -5.130 0.867 -12.052 35 1HG GLU 5 2HG GLU 5 -6.158 -1.260 -13.983 36 2HG GLU 5 3HG GLU 5 -7.162 -0.082 -13.131 37 H ILE 6 H ILE 6 -3.146 1.865 -12.706 38 HA ILE 6 HA ILE 6 -0.618 1.592 -11.342 39 HB ILE 6 HB ILE 6 -2.144 4.121 -11.999 40 1HG1 ILE 6 2HG1 ILE 6 -0.099 2.599 -13.692 41 2HG1 ILE 6 3HG1 ILE 6 -1.822 2.761 -14.058 42 1HG2 ILE 6 1HG2 ILE 6 -0.242 4.364 -10.380 43 2HG2 ILE 6 2HG2 ILE 6 0.844 3.641 -11.580 44 3HG2 ILE 6 3HG2 ILE 6 0.059 5.206 -11.885 45 1HD1 ILE 6 1HD1 ILE 6 -1.538 5.245 -14.196 46 2HD1 ILE 6 2HD1 ILE 6 0.224 4.993 -14.099 47 3HD1 ILE 6 3HD1 ILE 6 -0.694 4.304 -15.440 48 H ILE 7 H ILE 7 -0.199 1.962 -9.245 49 HA ILE 7 HA ILE 7 -2.254 1.999 -7.241 50 HB ILE 7 HB ILE 7 -0.075 0.877 -7.046 51 1HG1 ILE 7 2HG1 ILE 7 0.546 2.600 -4.823 52 2HG1 ILE 7 3HG1 ILE 7 -1.201 2.517 -4.966 53 1HG2 ILE 7 1HG2 ILE 7 1.287 2.604 -8.264 54 2HG2 ILE 7 2HG2 ILE 7 1.187 3.628 -6.829 55 3HG2 ILE 7 3HG2 ILE 7 1.967 2.043 -6.732 56 1HD1 ILE 7 1HD1 ILE 7 -1.048 0.012 -4.988 57 2HD1 ILE 7 2HD1 ILE 7 0.714 0.153 -4.809 58 3HD1 ILE 7 3HD1 ILE 7 -0.357 0.730 -3.516 59 H ASP 8 H ASP 8 -3.036 3.790 -6.013 60 HA ASP 8 HA ASP 8 -2.309 6.461 -7.070 61 1HB ASP 8 2HB ASP 8 -4.739 5.449 -6.846 62 2HB ASP 8 3HB ASP 8 -4.579 5.978 -5.161 63 H ILE 9 H ILE 9 -2.419 8.223 -5.404 64 HA ILE 9 HA ILE 9 -0.524 7.643 -3.211 65 HB ILE 9 HB ILE 9 -1.498 10.255 -4.420 66 1HG1 ILE 9 2HG1 ILE 9 -0.300 9.010 -6.132 67 2HG1 ILE 9 3HG1 ILE 9 0.694 10.338 -5.563 68 1HG2 ILE 9 1HG2 ILE 9 -0.636 10.865 -2.307 69 2HG2 ILE 9 2HG2 ILE 9 0.713 9.706 -2.412 70 3HG2 ILE 9 3HG2 ILE 9 0.678 11.158 -3.430 71 1HD1 ILE 9 1HD1 ILE 9 1.946 8.720 -4.083 72 2HD1 ILE 9 2HD1 ILE 9 1.008 7.396 -4.816 73 3HD1 ILE 9 3HD1 ILE 9 2.081 8.380 -5.816 74 H GLY 10 H GLY 10 -0.924 9.077 -1.196 75 1HA GLY 10 2HA GLY 10 -2.183 9.732 0.577 76 2HA GLY 10 3HA GLY 10 -3.511 9.992 -0.549 77 HA PRO 11 HA PRO 11 -5.025 6.606 2.096 78 1HB PRO 11 2HB PRO 11 -7.664 6.624 1.476 79 2HB PRO 11 3HB PRO 11 -6.889 7.989 2.321 80 1HG PRO 11 2HG PRO 11 -7.399 7.745 -0.661 81 2HG PRO 11 3HG PRO 11 -7.873 9.092 0.416 82 1HD PRO 11 2HD PRO 11 -5.581 9.152 -1.059 83 2HD PRO 11 3HD PRO 11 -5.634 9.850 0.589 84 H PHE 12 H PHE 12 -3.484 5.559 0.313 85 HA PHE 12 HA PHE 12 -4.773 3.245 -0.824 86 1HB PHE 12 2HB PHE 12 -5.177 5.255 -2.380 87 2HB PHE 12 3HB PHE 12 -3.493 5.232 -2.742 88 HD1 PHE 12 1HD PHE 12 -6.513 4.517 -4.062 89 HD2 PHE 12 2HD PHE 12 -2.856 2.369 -3.237 90 HE1 PHE 12 1HE PHE 12 -6.764 3.276 -6.177 91 HE2 PHE 12 2HE PHE 12 -3.191 1.049 -5.300 92 HZ PHE 12 HZ PHE 12 -5.034 1.635 -6.869 93 H THR 13 H THR 13 -1.707 4.784 -2.050 94 HA THR 13 HA THR 13 -0.185 2.532 -1.312 95 HB THR 13 HB THR 13 0.386 4.242 -3.046 96 HG1 THR 13 1HG THR 13 1.923 2.746 -2.271 97 1HG2 THR 13 1HG2 THR 13 0.048 6.289 -1.541 98 2HG2 THR 13 2HG2 THR 13 1.618 5.887 -0.806 99 3HG2 THR 13 3HG2 THR 13 1.518 6.262 -2.530 100 H GLN 14 H GLN 14 -0.650 5.661 0.353 101 HA GLN 14 HA GLN 14 1.139 5.000 2.514 102 1HB GLN 14 2HB GLN 14 -0.405 7.317 1.695 103 2HB GLN 14 3HB GLN 14 -0.809 6.939 3.368 104 1HG GLN 14 2HG GLN 14 1.037 8.435 3.449 105 2HG GLN 14 3HG GLN 14 1.694 6.847 3.849 106 1HE2 GLN 14 2HE2 GLN 14 1.470 9.377 1.344 107 2HE2 GLN 14 1HE2 GLN 14 2.810 8.771 0.383 108 H ASN 15 H ASN 15 -2.366 4.765 2.044 109 HA ASN 15 HA ASN 15 -3.139 3.951 4.620 110 1HB ASN 15 2HB ASN 15 -4.662 4.402 2.669 111 2HB ASN 15 3HB ASN 15 -4.243 2.832 1.999 112 1HD2 ASN 15 2HD2 ASN 15 -5.861 4.486 4.718 113 2HD2 ASN 15 1HD2 ASN 15 -6.741 3.064 5.248 114 H LEU 16 H LEU 16 -2.111 1.932 1.865 115 HA LEU 16 HA LEU 16 -2.154 -0.593 3.281 116 1HB LEU 16 2HB LEU 16 -0.610 0.317 0.826 117 2HB LEU 16 3HB LEU 16 -0.813 -1.364 1.337 118 HG LEU 16 HG LEU 16 -3.249 0.388 0.768 119 1HD1 LEU 16 1HD1 LEU 16 -1.748 0.434 -1.215 120 2HD1 LEU 16 2HD1 LEU 16 -1.729 -1.340 -1.206 121 3HD1 LEU 16 3HD1 LEU 16 -3.249 -0.453 -1.501 122 1HD2 LEU 16 1HD2 LEU 16 -2.831 -2.602 0.641 123 2HD2 LEU 16 2HD2 LEU 16 -3.596 -1.749 2.001 124 3HD2 LEU 16 3HD2 LEU 16 -4.354 -1.717 0.409 125 H ALA 17 H ALA 17 0.542 1.718 2.596 126 HA ALA 17 HA ALA 17 2.589 0.224 3.827 127 1HB ALA 17 1HB ALA 17 2.937 2.278 2.503 128 2HB ALA 17 2HB ALA 17 2.201 3.247 3.795 129 3HB ALA 17 3HB ALA 17 3.723 2.385 4.094 130 H LYS 18 H LYS 18 0.416 2.673 5.298 131 HA LYS 18 HA LYS 18 1.310 2.343 7.945 132 1HB LYS 18 2HB LYS 18 -1.001 3.625 6.638 133 2HB LYS 18 3HB LYS 18 -1.471 2.885 8.157 134 1HG LYS 18 2HG LYS 18 0.815 4.858 7.838 135 2HG LYS 18 3HG LYS 18 -0.814 5.216 8.433 136 1HD LYS 18 2HD LYS 18 -0.432 3.480 10.282 137 2HD LYS 18 3HD LYS 18 1.263 3.422 9.790 138 1HE LYS 18 2HE LYS 18 1.315 5.978 10.055 139 2HE LYS 18 3HE LYS 18 -0.271 5.833 10.839 140 1HZ LYS 18 1HZ LYS 18 0.766 4.358 12.438 141 2HZ LYS 18 2HZ LYS 18 2.229 4.559 11.707 142 3HZ LYS 18 3HZ LYS 18 1.486 5.841 12.422 143 H PHE 19 H PHE 19 -1.441 0.769 6.280 144 HA PHE 19 HA PHE 19 -2.384 -0.831 8.316 145 1HB PHE 19 2HB PHE 19 -3.311 -0.619 5.978 146 2HB PHE 19 3HB PHE 19 -2.063 -1.720 5.426 147 HD1 PHE 19 1HD PHE 19 -2.868 -3.886 4.991 148 HD2 PHE 19 2HD PHE 19 -4.609 -1.627 8.234 149 HE1 PHE 19 1HE PHE 19 -4.450 -5.739 5.451 150 HE2 PHE 19 2HE PHE 19 -6.173 -3.494 8.682 151 HZ PHE 19 HZ PHE 19 -6.118 -5.537 7.264 152 H ALA 20 H ALA 20 0.306 -1.618 6.061 153 HA ALA 20 HA ALA 20 1.034 -4.093 7.066 154 1HB ALA 20 1HB ALA 20 2.187 -2.626 5.223 155 2HB ALA 20 2HB ALA 20 3.242 -2.112 6.534 156 3HB ALA 20 3HB ALA 20 3.112 -3.834 6.147 157 H VAL 21 H VAL 21 2.285 -0.962 8.292 158 HA VAL 21 HA VAL 21 3.835 -2.220 10.364 159 HB VAL 21 HB VAL 21 3.014 0.697 9.943 160 1HG1 VAL 21 1HG1 VAL 21 3.784 0.328 12.275 161 2HG1 VAL 21 2HG1 VAL 21 5.241 -0.489 11.670 162 3HG1 VAL 21 3HG1 VAL 21 4.981 1.237 11.346 163 1HG2 VAL 21 1HG2 VAL 21 5.693 -0.563 9.246 164 2HG2 VAL 21 2HG2 VAL 21 4.401 -0.301 8.051 165 3HG2 VAL 21 3HG2 VAL 21 5.131 1.069 8.893 166 H ASP 22 H ASP 22 0.965 -0.099 10.471 167 HA ASP 22 HA ASP 22 0.230 -0.082 13.193 168 1HB ASP 22 2HB ASP 22 -0.842 1.300 11.516 169 2HB ASP 22 3HB ASP 22 -1.476 -0.128 10.681 170 H GLU 23 H GLU 23 -0.789 -2.392 10.614 171 HA GLU 23 HA GLU 23 -2.499 -3.748 12.482 172 1HB GLU 23 2HB GLU 23 -2.720 -3.577 9.884 173 2HB GLU 23 3HB GLU 23 -1.553 -4.922 9.842 174 1HG GLU 23 2HG GLU 23 -3.121 -6.046 11.533 175 2HG GLU 23 3HG GLU 23 -4.256 -4.719 11.181 176 H GLU 24 H GLU 24 0.676 -4.472 10.965 177 HA GLU 24 HA GLU 24 1.142 -6.933 12.272 178 1HB GLU 24 2HB GLU 24 2.705 -6.110 10.591 179 2HB GLU 24 3HB GLU 24 3.152 -4.721 11.558 180 1HG GLU 24 2HG GLU 24 3.466 -7.543 12.645 181 2HG GLU 24 3HG GLU 24 4.644 -6.829 11.549 182 H ASN 25 H ASN 25 1.952 -3.613 13.480 183 HA ASN 25 HA ASN 25 2.938 -4.418 15.990 184 1HB ASN 25 2HB ASN 25 1.948 -1.887 14.743 185 2HB ASN 25 3HB ASN 25 1.722 -1.974 16.471 186 1HD2 ASN 25 2HD2 ASN 25 4.426 -3.169 14.317 187 2HD2 ASN 25 1HD2 ASN 25 5.647 -2.315 15.242 188 H LYS 26 H LYS 26 -0.443 -3.722 15.010 189 HA LYS 26 HA LYS 26 -1.529 -3.881 17.603 190 1HB LYS 26 2HB LYS 26 -2.624 -2.886 15.707 191 2HB LYS 26 3HB LYS 26 -2.798 -4.436 14.893 192 1HG LYS 26 2HG LYS 26 -3.980 -4.089 17.665 193 2HG LYS 26 3HG LYS 26 -4.764 -3.299 16.286 194 1HD LYS 26 2HD LYS 26 -4.924 -5.443 15.088 195 2HD LYS 26 3HD LYS 26 -4.186 -6.285 16.467 196 1HE LYS 26 2HE LYS 26 -6.055 -5.595 17.920 197 2HE LYS 26 3HE LYS 26 -6.802 -4.719 16.567 198 1HZ LYS 26 1HZ LYS 26 -6.986 -6.795 15.406 199 2HZ LYS 26 2HZ LYS 26 -6.291 -7.609 16.659 200 3HZ LYS 26 3HZ LYS 26 -7.753 -6.878 16.861 201 H ILE 27 H ILE 27 -0.633 -6.520 15.376 202 HA ILE 27 HA ILE 27 -1.781 -8.495 17.330 203 HB ILE 27 HB ILE 27 -0.947 -8.873 14.430 204 1HG1 ILE 27 2HG1 ILE 27 -3.479 -9.720 14.515 205 2HG1 ILE 27 3HG1 ILE 27 -3.604 -8.637 15.901 206 1HG2 ILE 27 1HG2 ILE 27 -0.405 -10.869 15.779 207 2HG2 ILE 27 2HG2 ILE 27 -2.020 -10.838 16.514 208 3HG2 ILE 27 3HG2 ILE 27 -1.825 -11.187 14.786 209 1HD1 ILE 27 1HD1 ILE 27 -2.974 -6.752 14.430 210 2HD1 ILE 27 2HD1 ILE 27 -2.695 -7.881 13.083 211 3HD1 ILE 27 3HD1 ILE 27 -4.331 -7.644 13.732 212 H GLY 28 H GLY 28 1.192 -8.100 15.366 213 1HA GLY 28 2HA GLY 28 3.372 -8.360 15.997 214 2HA GLY 28 3HA GLY 28 2.884 -8.912 17.599 215 H GLN 29 H GLN 29 1.629 -10.473 14.668 216 HA GLN 29 HA GLN 29 2.666 -13.040 15.458 217 1HB GLN 29 2HB GLN 29 1.159 -11.967 13.088 218 2HB GLN 29 3HB GLN 29 1.956 -13.536 12.929 219 1HG GLN 29 2HG GLN 29 0.813 -14.468 14.819 220 2HG GLN 29 3HG GLN 29 0.038 -12.937 15.204 221 1HE2 GLN 29 2HE2 GLN 29 -0.993 -11.977 12.875 222 2HE2 GLN 29 1HE2 GLN 29 -2.083 -13.156 12.167 223 H TYR 30 H TYR 30 3.918 -10.588 13.236 224 HA TYR 30 HA TYR 30 6.205 -12.405 12.550 225 1HB TYR 30 2HB TYR 30 6.127 -11.323 10.272 226 2HB TYR 30 3HB TYR 30 4.918 -12.534 10.660 227 HD1 TYR 30 1HD TYR 30 5.424 -9.034 9.695 228 HD2 TYR 30 2HD TYR 30 2.552 -11.952 11.038 229 HE1 TYR 30 1HE TYR 30 3.599 -7.550 9.004 230 HE2 TYR 30 2HE TYR 30 0.712 -10.376 10.495 231 HH TYR 30 HH TYR 30 1.329 -7.086 9.225 232 H GLY 31 H GLY 31 5.271 -8.939 12.271 233 1HA GLY 31 2HA GLY 31 6.660 -7.263 13.522 234 2HA GLY 31 3HA GLY 31 8.060 -8.238 13.170 235 H ARG 32 H ARG 32 6.531 -5.454 12.074 236 HA ARG 32 HA ARG 32 6.971 -5.846 9.265 237 1HB ARG 32 2HB ARG 32 5.427 -4.176 10.580 238 2HB ARG 32 3HB ARG 32 6.828 -3.112 10.547 239 1HG ARG 32 2HG ARG 32 5.268 -4.309 8.221 240 2HG ARG 32 3HG ARG 32 5.276 -2.655 8.739 241 1HD ARG 32 2HD ARG 32 7.716 -2.492 8.163 242 2HD ARG 32 3HD ARG 32 7.596 -4.064 7.359 243 HE ARG 32 HE ARG 32 6.832 -1.485 6.391 244 1HH1 ARG 32 1HH2 ARG 32 6.073 -4.868 5.983 245 2HH1 ARG 32 2HH2 ARG 32 5.007 -4.624 4.629 246 1HH2 ARG 32 1HH1 ARG 32 5.395 -1.090 4.708 247 2HH2 ARG 32 2HH1 ARG 32 4.658 -2.414 3.851 248 H LEU 33 H LEU 33 9.205 -6.796 10.217 249 HA LEU 33 HA LEU 33 11.400 -6.649 10.665 250 1HB LEU 33 2HB LEU 33 10.768 -5.393 8.110 251 2HB LEU 33 3HB LEU 33 12.319 -4.819 8.613 252 HG LEU 33 HG LEU 33 12.685 -6.663 7.227 253 1HD1 LEU 33 1HD1 LEU 33 14.264 -6.609 9.019 254 2HD1 LEU 33 2HD1 LEU 33 13.209 -7.537 10.100 255 3HD1 LEU 33 3HD1 LEU 33 13.866 -8.307 8.676 256 1HD2 LEU 33 1HD2 LEU 33 10.824 -8.352 8.910 257 2HD2 LEU 33 2HD2 LEU 33 10.509 -7.650 7.306 258 3HD2 LEU 33 3HD2 LEU 33 11.768 -8.875 7.494 259 H THR 34 H THR 34 13.197 -4.245 10.092 260 HA THR 34 HA THR 34 12.429 -2.580 12.464 261 HB THR 34 HB THR 34 15.047 -2.871 11.008 262 HG1 THR 34 1HG THR 34 14.257 -4.692 12.312 263 1HG2 THR 34 1HG2 THR 34 14.829 -0.664 12.104 264 2HG2 THR 34 2HG2 THR 34 14.342 -1.460 13.620 265 3HG2 THR 34 3HG2 THR 34 15.980 -1.690 12.977 266 H PHE 35 H PHE 35 10.862 -1.350 11.395 267 HA PHE 35 HA PHE 35 10.032 0.070 9.660 268 1HB PHE 35 2HB PHE 35 11.693 1.276 11.826 269 2HB PHE 35 3HB PHE 35 11.176 2.354 10.554 270 HD1 PHE 35 1HD PHE 35 9.917 0.212 13.314 271 HD2 PHE 35 2HD PHE 35 8.903 2.996 10.173 272 HE1 PHE 35 1HE PHE 35 7.733 0.662 14.403 273 HE2 PHE 35 2HE PHE 35 6.746 3.466 11.289 274 HZ PHE 35 HZ PHE 35 6.168 2.322 13.423 275 H ASN 36 H ASN 36 10.892 -0.645 7.588 276 HA ASN 36 HA ASN 36 13.351 0.632 6.647 277 1HB ASN 36 2HB ASN 36 13.087 -1.013 4.867 278 2HB ASN 36 3HB ASN 36 13.098 -1.779 6.455 279 1HD2 ASN 36 2HD2 ASN 36 10.934 -2.574 7.372 280 2HD2 ASN 36 1HD2 ASN 36 9.617 -2.824 6.243 281 H LYS 37 H LYS 37 11.377 -0.021 4.044 282 HA LYS 37 HA LYS 37 9.786 2.304 3.848 283 1HB LYS 37 2HB LYS 37 12.102 3.333 3.815 284 2HB LYS 37 3HB LYS 37 12.462 2.391 2.362 285 1HG LYS 37 2HG LYS 37 10.789 3.617 1.101 286 2HG LYS 37 3HG LYS 37 10.153 4.370 2.590 287 1HD LYS 37 2HD LYS 37 12.221 5.601 2.947 288 2HD LYS 37 3HD LYS 37 13.032 4.719 1.645 289 1HE LYS 37 2HE LYS 37 12.436 6.962 0.894 290 2HE LYS 37 3HE LYS 37 11.542 5.745 -0.032 291 1HZ LYS 37 1HZ LYS 37 9.647 6.177 1.360 292 2HZ LYS 37 2HZ LYS 37 10.488 7.293 2.235 293 3HZ LYS 37 3HZ LYS 37 10.162 7.567 0.645 294 H VAL 38 H VAL 38 8.748 2.295 1.696 295 HA VAL 38 HA VAL 38 8.916 -0.365 0.361 296 HB VAL 38 HB VAL 38 6.834 0.012 1.502 297 1HG1 VAL 38 1HG1 VAL 38 6.719 2.501 1.513 298 2HG1 VAL 38 2HG1 VAL 38 6.472 2.498 -0.246 299 3HG1 VAL 38 3HG1 VAL 38 5.252 1.801 0.832 300 1HG2 VAL 38 1HG2 VAL 38 6.512 0.168 -1.512 301 2HG2 VAL 38 2HG2 VAL 38 6.657 -1.286 -0.501 302 3HG2 VAL 38 3HG2 VAL 38 5.236 -0.248 -0.368 303 H ILE 39 H ILE 39 9.122 -0.461 -1.881 304 HA ILE 39 HA ILE 39 10.350 1.953 -3.048 305 HB ILE 39 HB ILE 39 10.781 0.609 -4.988 306 1HG1 ILE 39 2HG1 ILE 39 10.087 -2.036 -4.166 307 2HG1 ILE 39 3HG1 ILE 39 8.610 -1.075 -4.029 308 1HG2 ILE 39 1HG2 ILE 39 12.327 0.492 -3.079 309 2HG2 ILE 39 2HG2 ILE 39 11.469 -0.939 -2.464 310 3HG2 ILE 39 3HG2 ILE 39 12.311 -1.005 -4.025 311 1HD1 ILE 39 1HD1 ILE 39 8.912 -0.283 -6.359 312 2HD1 ILE 39 2HD1 ILE 39 10.392 -1.267 -6.489 313 3HD1 ILE 39 3HD1 ILE 39 8.816 -2.053 -6.266 314 H ARG 40 H ARG 40 9.561 2.631 -5.339 315 HA ARG 40 HA ARG 40 6.797 2.244 -5.884 316 1HB ARG 40 2HB ARG 40 7.801 4.756 -4.559 317 2HB ARG 40 3HB ARG 40 6.687 4.987 -5.890 318 1HG ARG 40 2HG ARG 40 4.920 4.527 -4.647 319 2HG ARG 40 3HG ARG 40 5.529 2.942 -4.215 320 1HD ARG 40 2HD ARG 40 5.114 4.261 -2.184 321 2HD ARG 40 3HD ARG 40 6.823 3.871 -2.360 322 HE ARG 40 HE ARG 40 7.334 6.081 -2.487 323 1HH1 ARG 40 1HH2 ARG 40 3.884 5.751 -3.147 324 2HH1 ARG 40 2HH2 ARG 40 3.616 7.458 -3.385 325 1HH2 ARG 40 1HH1 ARG 40 7.000 8.311 -2.731 326 2HH2 ARG 40 2HH1 ARG 40 5.421 8.949 -3.097 327 HA PRO 41 HA PRO 41 5.376 3.662 -7.360 328 1HB PRO 41 2HB PRO 41 4.414 3.153 -9.851 329 2HB PRO 41 3HB PRO 41 5.058 4.748 -9.371 330 1HG PRO 41 2HG PRO 41 6.524 2.537 -10.836 331 2HG PRO 41 3HG PRO 41 6.415 4.265 -11.291 332 1HD PRO 41 2HD PRO 41 8.555 3.259 -9.903 333 2HD PRO 41 3HD PRO 41 7.923 4.893 -9.558 334 H CYS 42 H CYS 42 3.650 2.004 -7.814 335 HA CYS 42 HA CYS 42 4.580 -0.817 -7.739 336 1HB CYS 42 2HB CYS 42 3.260 0.757 -5.513 337 2HB CYS 42 3HB CYS 42 2.918 -0.967 -5.680 338 HG CYS 42 HG CYS 42 4.855 -0.205 -3.874 339 H MET 43 H MET 43 2.083 -2.027 -7.382 340 HA MET 43 HA MET 43 0.364 -0.751 -9.423 341 1HB MET 43 2HB MET 43 2.425 -2.012 -10.442 342 2HB MET 43 3HB MET 43 1.562 -3.485 -9.982 343 1HG MET 43 2HG MET 43 -0.262 -2.890 -11.471 344 2HG MET 43 3HG MET 43 0.350 -1.247 -11.663 345 1HE MET 43 1HE MET 43 2.824 -4.324 -11.828 346 2HE MET 43 2HE MET 43 1.305 -5.030 -12.441 347 3HE MET 43 3HE MET 43 2.676 -4.760 -13.541 348 H LYS 44 H LYS 44 -1.665 -1.903 -9.796 349 HA LYS 44 HA LYS 44 -2.360 -3.868 -7.682 350 1HB LYS 44 2HB LYS 44 -4.057 -2.577 -6.765 351 2HB LYS 44 3HB LYS 44 -2.744 -1.431 -6.924 352 1HG LYS 44 2HG LYS 44 -4.056 -0.070 -8.131 353 2HG LYS 44 3HG LYS 44 -4.337 -1.301 -9.341 354 1HD LYS 44 2HD LYS 44 -6.071 -2.304 -7.555 355 2HD LYS 44 3HD LYS 44 -5.976 -0.712 -6.835 356 1HE LYS 44 2HE LYS 44 -6.795 -1.412 -9.698 357 2HE LYS 44 3HE LYS 44 -7.846 -0.807 -8.410 358 1HZ LYS 44 1HZ LYS 44 -6.684 1.242 -8.438 359 2HZ LYS 44 2HZ LYS 44 -5.640 0.710 -9.600 360 3HZ LYS 44 3HZ LYS 44 -7.239 0.895 -9.950 361 H LYS 45 H LYS 45 -4.777 -4.587 -8.126 362 HA LYS 45 HA LYS 45 -5.710 -4.256 -10.844 363 1HB LYS 45 2HB LYS 45 -5.456 -6.506 -11.600 364 2HB LYS 45 3HB LYS 45 -3.858 -5.923 -11.184 365 1HG LYS 45 2HG LYS 45 -3.481 -7.547 -9.736 366 2HG LYS 45 3HG LYS 45 -4.920 -7.188 -8.801 367 1HD LYS 45 2HD LYS 45 -6.144 -8.799 -9.746 368 2HD LYS 45 3HD LYS 45 -5.487 -8.597 -11.368 369 1HE LYS 45 2HE LYS 45 -3.381 -9.755 -10.605 370 2HE LYS 45 3HE LYS 45 -4.185 -10.099 -9.060 371 1HZ LYS 45 1HZ LYS 45 -5.862 -11.284 -10.306 372 2HZ LYS 45 2HZ LYS 45 -5.093 -10.949 -11.723 373 3HZ LYS 45 3HZ LYS 45 -4.366 -11.909 -10.601 374 H THR 46 H THR 46 -7.650 -5.946 -11.139 375 HA THR 46 HA THR 46 -8.970 -6.272 -8.498 376 HB THR 46 HB THR 46 -10.255 -5.013 -10.139 377 HG1 THR 46 1HG THR 46 -11.035 -6.754 -8.488 378 1HG2 THR 46 1HG2 THR 46 -9.520 -6.377 -12.192 379 2HG2 THR 46 2HG2 THR 46 -10.662 -7.614 -11.644 380 3HG2 THR 46 3HG2 THR 46 -11.254 -6.002 -12.059 381 H ILE 47 H ILE 47 -8.693 -8.206 -7.577 382 HA ILE 47 HA ILE 47 -7.557 -10.420 -9.119 383 HB ILE 47 HB ILE 47 -6.756 -10.242 -6.929 384 1HG1 ILE 47 2HG1 ILE 47 -8.773 -12.540 -6.882 385 2HG1 ILE 47 3HG1 ILE 47 -7.328 -12.538 -7.900 386 1HG2 ILE 47 1HG2 ILE 47 -8.372 -8.965 -5.794 387 2HG2 ILE 47 2HG2 ILE 47 -9.659 -10.132 -6.134 388 3HG2 ILE 47 3HG2 ILE 47 -8.391 -10.525 -4.960 389 1HD1 ILE 47 1HD1 ILE 47 -5.891 -12.371 -5.897 390 2HD1 ILE 47 2HD1 ILE 47 -7.326 -12.433 -4.850 391 3HD1 ILE 47 3HD1 ILE 47 -6.921 -13.810 -5.879 392 H TYR 48 H TYR 48 -8.557 -12.160 -9.832 393 HA TYR 48 HA TYR 48 -11.535 -12.116 -9.858 394 1HB TYR 48 2HB TYR 48 -9.646 -11.808 -11.950 395 2HB TYR 48 3HB TYR 48 -10.288 -13.358 -12.220 396 HD1 TYR 48 1HD TYR 48 -10.740 -9.861 -12.035 397 HD2 TYR 48 2HD TYR 48 -13.104 -13.388 -12.233 398 HE1 TYR 48 1HE TYR 48 -12.629 -8.496 -12.978 399 HE2 TYR 48 2HE TYR 48 -15.071 -12.012 -12.911 400 HH TYR 48 HH TYR 48 -14.833 -8.554 -13.667 401 H GLU 49 H GLU 49 -11.743 -14.507 -11.236 402 HA GLU 49 HA GLU 49 -10.955 -16.759 -9.681 403 1HB GLU 49 2HB GLU 49 -13.195 -15.004 -8.748 404 2HB GLU 49 3HB GLU 49 -13.633 -16.695 -9.014 405 1HG GLU 49 2HG GLU 49 -11.653 -17.368 -7.558 406 2HG GLU 49 3HG GLU 49 -11.477 -15.658 -7.133 407 H ASN 50 H ASN 50 -10.752 -17.535 -11.766 408 HA ASN 50 HA ASN 50 -12.768 -17.363 -13.821 409 1HB ASN 50 2HB ASN 50 -11.513 -19.274 -14.817 410 2HB ASN 50 3HB ASN 50 -10.468 -17.923 -14.357 411 1HD2 ASN 50 2HD2 ASN 50 -10.854 -21.323 -14.063 412 2HD2 ASN 50 1HD2 ASN 50 -9.726 -21.536 -12.737 413 H GLU 51 H GLU 51 -14.366 -18.874 -14.358 414 HA GLU 51 HA GLU 51 -15.858 -20.536 -14.185 415 1HB GLU 51 2HB GLU 51 -13.753 -21.824 -13.265 416 2HB GLU 51 3HB GLU 51 -14.566 -21.735 -11.709 417 1HG GLU 51 2HG GLU 51 -16.152 -22.792 -14.062 418 2HG GLU 51 3HG GLU 51 -14.784 -23.753 -13.513 419 H GLY 52 H GLY 52 -17.405 -21.519 -12.186 420 1HA GLY 52 2HA GLY 52 -19.103 -20.993 -10.770 421 2HA GLY 52 3HA GLY 52 -17.769 -20.360 -9.803 422 H PHE 53 H PHE 53 -19.532 -19.217 -12.701 423 HA PHE 53 HA PHE 53 -20.390 -17.181 -13.269 424 1HB PHE 53 2HB PHE 53 -21.443 -17.749 -10.534 425 2HB PHE 53 3HB PHE 53 -21.591 -16.093 -11.038 426 HD1 PHE 53 1HD PHE 53 -22.679 -19.543 -11.812 427 HD2 PHE 53 2HD PHE 53 -22.999 -15.371 -12.865 428 HE1 PHE 53 1HE PHE 53 -24.736 -20.023 -13.118 429 HE2 PHE 53 2HE PHE 53 -25.058 -15.856 -14.156 430 HZ PHE 53 HZ PHE 53 -25.934 -18.180 -14.281 431 H ARG 54 H ARG 54 -17.576 -17.258 -12.158 432 HA ARG 54 HA ARG 54 -15.995 -15.954 -11.385 433 1HB ARG 54 2HB ARG 54 -15.434 -14.163 -12.871 434 2HB ARG 54 3HB ARG 54 -15.942 -15.587 -13.744 435 1HG ARG 54 2HG ARG 54 -18.091 -13.530 -13.181 436 2HG ARG 54 3HG ARG 54 -16.805 -13.052 -14.269 437 1HD ARG 54 2HD ARG 54 -17.283 -15.342 -15.517 438 2HD ARG 54 3HD ARG 54 -18.773 -15.344 -14.587 439 HE ARG 54 HE ARG 54 -19.633 -13.693 -15.915 440 1HH1 ARG 54 1HH2 ARG 54 -16.142 -13.782 -16.389 441 2HH1 ARG 54 2HH2 ARG 54 -16.164 -12.885 -17.885 442 1HH2 ARG 54 1HH1 ARG 54 -19.693 -12.500 -17.865 443 2HH2 ARG 54 2HH1 ARG 54 -18.224 -12.116 -18.719 444 H GLU 55 H GLU 55 -17.458 -15.788 -9.391 445 HA GLU 55 HA GLU 55 -18.366 -13.283 -8.424 446 1HB GLU 55 2HB GLU 55 -18.612 -15.512 -7.322 447 2HB GLU 55 3HB GLU 55 -16.886 -15.488 -6.923 448 1HG GLU 55 2HG GLU 55 -17.267 -13.373 -5.611 449 2HG GLU 55 3HG GLU 55 -18.996 -13.487 -5.988 450 H ILE 56 H ILE 56 -17.026 -11.536 -9.030 451 HA ILE 56 HA ILE 56 -14.246 -11.213 -8.973 452 HB ILE 56 HB ILE 56 -16.427 -9.252 -8.149 453 1HG1 ILE 56 2HG1 ILE 56 -14.949 -9.282 -10.785 454 2HG1 ILE 56 3HG1 ILE 56 -16.375 -10.303 -10.574 455 1HG2 ILE 56 1HG2 ILE 56 -14.316 -8.400 -7.311 456 2HG2 ILE 56 2HG2 ILE 56 -13.477 -8.824 -8.816 457 3HG2 ILE 56 3HG2 ILE 56 -14.666 -7.509 -8.785 458 1HD1 ILE 56 1HD1 ILE 56 -17.740 -8.341 -9.967 459 2HD1 ILE 56 2HD1 ILE 56 -16.344 -7.277 -10.240 460 3HD1 ILE 56 3HD1 ILE 56 -17.030 -8.200 -11.586 461 H LYS 57 H LYS 57 -12.738 -11.236 -7.309 462 HA LYS 57 HA LYS 57 -13.635 -11.762 -4.579 463 1HB LYS 57 2HB LYS 57 -11.219 -12.099 -6.177 464 2HB LYS 57 3HB LYS 57 -10.821 -11.273 -4.673 465 1HG LYS 57 2HG LYS 57 -12.448 -13.832 -4.725 466 2HG LYS 57 3HG LYS 57 -10.683 -13.799 -4.739 467 1HD LYS 57 2HD LYS 57 -11.158 -12.087 -2.637 468 2HD LYS 57 3HD LYS 57 -12.567 -13.141 -2.500 469 1HE LYS 57 2HE LYS 57 -9.635 -14.028 -2.629 470 2HE LYS 57 3HE LYS 57 -10.603 -13.920 -1.155 471 1HZ LYS 57 1HZ LYS 57 -12.036 -15.600 -2.002 472 2HZ LYS 57 2HZ LYS 57 -11.225 -15.672 -3.433 473 3HZ LYS 57 3HZ LYS 57 -10.482 -16.145 -2.038 474 H GLY 58 H GLY 58 -11.764 -9.198 -6.297 475 1HA GLY 58 2HA GLY 58 -12.978 -6.942 -5.475 476 2HA GLY 58 3HA GLY 58 -12.031 -7.351 -4.031 477 H TYR 59 H TYR 59 -10.751 -5.561 -4.259 478 HA TYR 59 HA TYR 59 -8.915 -5.372 -6.566 479 1HB TYR 59 2HB TYR 59 -9.352 -3.611 -4.116 480 2HB TYR 59 3HB TYR 59 -7.942 -3.453 -5.135 481 HD1 TYR 59 1HD TYR 59 -8.362 -3.395 -7.725 482 HD2 TYR 59 2HD TYR 59 -11.347 -2.400 -4.781 483 HE1 TYR 59 1HE TYR 59 -9.797 -2.396 -9.505 484 HE2 TYR 59 2HE TYR 59 -12.731 -1.338 -6.533 485 HH TYR 59 HH TYR 59 -12.948 -0.883 -8.787 486 H GLU 60 H GLU 60 -6.710 -5.702 -6.407 487 HA GLU 60 HA GLU 60 -5.678 -6.734 -3.870 488 1HB GLU 60 2HB GLU 60 -5.452 -7.990 -6.569 489 2HB GLU 60 3HB GLU 60 -3.917 -7.620 -5.768 490 1HG GLU 60 2HG GLU 60 -4.777 -8.804 -3.696 491 2HG GLU 60 3HG GLU 60 -6.123 -9.386 -4.698 492 H TYR 61 H TYR 61 -3.912 -5.553 -3.320 493 HA TYR 61 HA TYR 61 -2.789 -3.513 -5.205 494 1HB TYR 61 2HB TYR 61 -2.856 -3.398 -2.188 495 2HB TYR 61 3HB TYR 61 -2.278 -2.168 -3.308 496 HD1 TYR 61 1HD TYR 61 -5.057 -3.253 -1.360 497 HD2 TYR 61 2HD TYR 61 -4.051 -1.122 -4.938 498 HE1 TYR 61 1HE TYR 61 -7.127 -1.763 -1.090 499 HE2 TYR 61 2HE TYR 61 -6.210 0.131 -4.786 500 HH TYR 61 HH TYR 61 -8.432 -0.298 -2.047 501 H GLN 62 H GLN 62 -0.652 -4.065 -5.800 502 HA GLN 62 HA GLN 62 0.758 -6.106 -4.133 503 1HB GLN 62 2HB GLN 62 0.054 -6.754 -6.436 504 2HB GLN 62 3HB GLN 62 1.098 -5.478 -7.086 505 1HG GLN 62 2HG GLN 62 2.115 -7.744 -5.309 506 2HG GLN 62 3HG GLN 62 1.997 -7.865 -7.059 507 1HE2 GLN 62 2HE2 GLN 62 3.976 -6.608 -4.412 508 2HE2 GLN 62 1HE2 GLN 62 5.200 -5.981 -5.485 509 H LEU 63 H LEU 63 2.420 -5.238 -2.973 510 HA LEU 63 HA LEU 63 4.086 -3.193 -4.306 511 1HB LEU 63 2HB LEU 63 4.126 -1.835 -2.208 512 2HB LEU 63 3HB LEU 63 2.634 -1.838 -3.138 513 HG LEU 63 HG LEU 63 2.046 -3.833 -1.333 514 1HD1 LEU 63 1HD1 LEU 63 4.198 -3.390 -0.126 515 2HD1 LEU 63 2HD1 LEU 63 3.608 -1.751 0.228 516 3HD1 LEU 63 3HD1 LEU 63 2.738 -3.160 0.861 517 1HD2 LEU 63 1HD2 LEU 63 1.586 -0.855 -0.991 518 2HD2 LEU 63 2HD2 LEU 63 0.609 -1.970 -1.975 519 3HD2 LEU 63 3HD2 LEU 63 0.677 -2.175 -0.219 520 H TYR 64 H TYR 64 6.100 -2.772 -3.130 521 HA TYR 64 HA TYR 64 7.299 -5.359 -2.271 522 1HB TYR 64 2HB TYR 64 7.793 -3.489 -4.564 523 2HB TYR 64 3HB TYR 64 9.197 -4.111 -3.743 524 HD1 TYR 64 1HD TYR 64 9.045 -6.777 -3.184 525 HD2 TYR 64 2HD TYR 64 7.145 -4.739 -6.478 526 HE1 TYR 64 1HE TYR 64 8.884 -8.912 -4.419 527 HE2 TYR 64 2HE TYR 64 6.912 -6.890 -7.671 528 HH TYR 64 HH TYR 64 7.293 -9.167 -7.607 529 H VAL 65 H VAL 65 7.973 -5.132 -0.263 530 HA VAL 65 HA VAL 65 8.578 -2.443 0.811 531 HB VAL 65 HB VAL 65 8.033 -5.077 2.221 532 1HG1 VAL 65 1HG1 VAL 65 9.403 -3.453 3.450 533 2HG1 VAL 65 2HG1 VAL 65 8.112 -2.241 3.300 534 3HG1 VAL 65 3HG1 VAL 65 7.859 -3.766 4.197 535 1HG2 VAL 65 1HG2 VAL 65 6.212 -2.693 1.669 536 2HG2 VAL 65 2HG2 VAL 65 6.056 -4.310 0.948 537 3HG2 VAL 65 3HG2 VAL 65 5.818 -4.102 2.678 538 H TYR 66 H TYR 66 10.706 -1.878 1.291 539 HA TYR 66 HA TYR 66 12.770 -3.799 0.504 540 1HB TYR 66 2HB TYR 66 12.522 -1.333 -0.230 541 2HB TYR 66 3HB TYR 66 13.106 -0.909 1.358 542 HD1 TYR 66 1HD TYR 66 13.980 -3.274 -1.382 543 HD2 TYR 66 2HD TYR 66 15.415 -0.432 1.500 544 HE1 TYR 66 1HE TYR 66 16.326 -3.595 -2.224 545 HE2 TYR 66 2HE TYR 66 17.731 -0.762 0.688 546 HH TYR 66 HH TYR 66 19.054 -2.415 -0.452 547 H ALA 67 H ALA 67 11.975 -5.014 2.555 548 HA ALA 67 HA ALA 67 12.737 -3.744 5.149 549 1HB ALA 67 1HB ALA 67 10.468 -5.017 4.547 550 2HB ALA 67 2HB ALA 67 11.417 -6.428 5.037 551 3HB ALA 67 3HB ALA 67 11.222 -5.062 6.128 552 H SER 68 H SER 68 14.298 -4.741 6.581 553 HA SER 68 HA SER 68 16.337 -5.672 6.927 554 1HB SER 68 2HB SER 68 14.762 -7.746 6.819 555 2HB SER 68 3HB SER 68 15.490 -8.035 5.245 556 HG SER 68 HG SER 68 17.535 -7.936 6.276 557 H ASP 69 H ASP 69 15.931 -4.212 4.184 558 HA ASP 69 HA ASP 69 16.991 -3.828 2.246 559 1HB ASP 69 2HB ASP 69 18.953 -3.571 3.767 560 2HB ASP 69 3HB ASP 69 19.352 -5.271 3.507 561 H LYS 70 H LYS 70 15.241 -6.105 2.402 562 HA LYS 70 HA LYS 70 16.219 -7.500 -0.017 563 1HB LYS 70 2HB LYS 70 14.852 -8.803 2.395 564 2HB LYS 70 3HB LYS 70 14.769 -9.446 0.764 565 1HG LYS 70 2HG LYS 70 16.406 -10.717 1.620 566 2HG LYS 70 3HG LYS 70 17.345 -9.496 0.753 567 1HD LYS 70 2HD LYS 70 17.991 -8.423 2.799 568 2HD LYS 70 3HD LYS 70 16.709 -9.233 3.719 569 1HE LYS 70 2HE LYS 70 17.816 -11.426 3.363 570 2HE LYS 70 3HE LYS 70 19.134 -10.611 2.494 571 1HZ LYS 70 1HZ LYS 70 19.605 -9.402 4.498 572 2HZ LYS 70 2HZ LYS 70 18.356 -10.132 5.289 573 3HZ LYS 70 3HZ LYS 70 19.648 -11.025 4.791 574 H LEU 71 H LEU 71 14.257 -8.238 -1.273 575 HA LEU 71 HA LEU 71 12.148 -6.168 -1.019 576 1HB LEU 71 2HB LEU 71 13.005 -8.034 -3.240 577 2HB LEU 71 3HB LEU 71 11.416 -7.285 -3.231 578 HG LEU 71 HG LEU 71 13.023 -6.049 -4.546 579 1HD1 LEU 71 1HD1 LEU 71 11.124 -4.934 -3.488 580 2HD1 LEU 71 2HD1 LEU 71 12.161 -4.359 -2.176 581 3HD1 LEU 71 3HD1 LEU 71 12.472 -3.840 -3.840 582 1HD2 LEU 71 1HD2 LEU 71 14.511 -5.340 -2.005 583 2HD2 LEU 71 2HD2 LEU 71 15.052 -6.560 -3.156 584 3HD2 LEU 71 3HD2 LEU 71 14.901 -4.863 -3.670 585 H PHE 72 H PHE 72 10.913 -6.807 0.625 586 HA PHE 72 HA PHE 72 9.818 -9.583 0.743 587 1HB PHE 72 2HB PHE 72 9.598 -7.122 2.488 588 2HB PHE 72 3HB PHE 72 8.457 -8.425 2.615 589 HD1 PHE 72 1HD PHE 72 11.921 -7.516 3.089 590 HD2 PHE 72 2HD PHE 72 9.078 -10.701 3.405 591 HE1 PHE 72 1HE PHE 72 13.523 -8.773 4.525 592 HE2 PHE 72 2HE PHE 72 10.672 -11.997 4.801 593 HZ PHE 72 HZ PHE 72 12.898 -11.041 5.368 594 H ARG 73 H ARG 73 8.305 -10.002 -0.758 595 HA ARG 73 HA ARG 73 6.826 -7.940 -2.121 596 1HB ARG 73 2HB ARG 73 7.365 -10.172 -3.126 597 2HB ARG 73 3HB ARG 73 6.307 -10.937 -1.928 598 1HG ARG 73 2HG ARG 73 4.403 -9.599 -2.784 599 2HG ARG 73 3HG ARG 73 5.459 -8.847 -3.997 600 1HD ARG 73 2HD ARG 73 5.771 -10.933 -5.141 601 2HD ARG 73 3HD ARG 73 5.084 -11.862 -3.785 602 HE ARG 73 HE ARG 73 3.077 -10.100 -4.556 603 1HH1 ARG 73 1HH2 ARG 73 4.834 -12.823 -5.954 604 2HH1 ARG 73 2HH2 ARG 73 3.476 -13.423 -6.867 605 1HH2 ARG 73 1HH1 ARG 73 1.277 -10.877 -5.704 606 2HH2 ARG 73 2HH1 ARG 73 1.426 -12.253 -6.767 607 H ALA 74 H ALA 74 4.734 -7.164 -1.519 608 HA ALA 74 HA ALA 74 3.343 -8.618 0.646 609 1HB ALA 74 1HB ALA 74 4.620 -6.994 1.867 610 2HB ALA 74 2HB ALA 74 4.111 -5.693 0.768 611 3HB ALA 74 3HB ALA 74 2.922 -6.487 1.808 612 H ASP 75 H ASP 75 1.287 -8.963 -0.060 613 HA ASP 75 HA ASP 75 0.133 -7.130 -2.110 614 1HB ASP 75 2HB ASP 75 -0.230 -10.123 -1.670 615 2HB ASP 75 3HB ASP 75 -1.263 -9.135 -2.710 616 H ILE 76 H ILE 76 -2.125 -6.578 -1.700 617 HA ILE 76 HA ILE 76 -3.324 -7.648 0.829 618 HB ILE 76 HB ILE 76 -3.067 -4.757 -0.061 619 1HG1 ILE 76 2HG1 ILE 76 -1.269 -5.497 1.440 620 2HG1 ILE 76 3HG1 ILE 76 -2.315 -4.308 2.213 621 1HG2 ILE 76 1HG2 ILE 76 -5.366 -4.950 0.387 622 2HG2 ILE 76 2HG2 ILE 76 -5.128 -5.912 1.850 623 3HG2 ILE 76 3HG2 ILE 76 -4.668 -4.196 1.820 624 1HD1 ILE 76 1HD1 ILE 76 -3.531 -6.226 3.363 625 2HD1 ILE 76 2HD1 ILE 76 -2.254 -7.295 2.747 626 3HD1 ILE 76 3HD1 ILE 76 -1.861 -5.983 3.847 627 H SER 77 H SER 77 -5.485 -8.117 0.585 628 HA SER 77 HA SER 77 -6.696 -7.707 -2.095 629 1HB SER 77 2HB SER 77 -6.819 -9.958 -0.096 630 2HB SER 77 3HB SER 77 -8.200 -9.654 -1.148 631 HG SER 77 HG SER 77 -6.864 -9.911 -2.937 632 H GLU 78 H GLU 78 -8.874 -7.019 -2.133 633 HA GLU 78 HA GLU 78 -9.956 -6.049 0.423 634 1HB GLU 78 2HB GLU 78 -10.010 -4.995 -2.405 635 2HB GLU 78 3HB GLU 78 -11.309 -4.532 -1.325 636 1HG GLU 78 2HG GLU 78 -9.429 -2.879 -1.487 637 2HG GLU 78 3HG GLU 78 -9.903 -3.363 0.145 638 H ASP 79 H ASP 79 -12.317 -5.876 0.386 639 HA ASP 79 HA ASP 79 -13.577 -8.354 -0.717 640 1HB ASP 79 2HB ASP 79 -13.737 -7.978 1.702 641 2HB ASP 79 3HB ASP 79 -14.506 -6.413 1.430 642 H TYR 80 H TYR 80 -14.042 -7.790 -2.832 643 HA TYR 80 HA TYR 80 -14.996 -5.751 -4.197 644 1HB TYR 80 2HB TYR 80 -14.958 -7.974 -5.119 645 2HB TYR 80 3HB TYR 80 -16.164 -8.535 -3.973 646 HD1 TYR 80 1HD TYR 80 -17.963 -9.297 -5.258 647 HD2 TYR 80 2HD TYR 80 -16.147 -5.509 -6.253 648 HE1 TYR 80 1HE TYR 80 -19.807 -8.818 -6.841 649 HE2 TYR 80 2HE TYR 80 -18.002 -5.027 -7.803 650 HH TYR 80 HH TYR 80 -20.017 -5.752 -8.659 651 H LYS 81 H LYS 81 -17.219 -7.526 -1.998 652 HA LYS 81 HA LYS 81 -19.619 -6.310 -2.459 653 1HB LYS 81 2HB LYS 81 -19.122 -8.232 -1.015 654 2HB LYS 81 3HB LYS 81 -18.347 -7.189 0.169 655 1HG LYS 81 2HG LYS 81 -21.311 -7.061 -0.561 656 2HG LYS 81 3HG LYS 81 -20.614 -8.006 0.768 657 1HD LYS 81 2HD LYS 81 -19.499 -5.755 1.488 658 2HD LYS 81 3HD LYS 81 -20.732 -5.018 0.443 659 1HE LYS 81 2HE LYS 81 -21.655 -4.942 2.605 660 2HE LYS 81 3HE LYS 81 -22.496 -6.272 1.795 661 1HZ LYS 81 1HZ LYS 81 -20.988 -7.777 2.930 662 2HZ LYS 81 2HZ LYS 81 -20.226 -6.511 3.659 663 3HZ LYS 81 3HZ LYS 81 -21.801 -6.837 4.013 664 H THR 82 H THR 82 -17.023 -5.108 -0.348 665 HA THR 82 HA THR 82 -18.142 -2.365 -0.429 666 HB THR 82 HB THR 82 -17.478 -3.951 2.091 667 HG1 THR 82 1HG THR 82 -19.619 -3.243 2.563 668 1HG2 THR 82 1HG2 THR 82 -16.562 -1.758 2.533 669 2HG2 THR 82 2HG2 THR 82 -17.907 -0.991 1.649 670 3HG2 THR 82 3HG2 THR 82 -18.180 -1.798 3.223 671 H ARG 83 H ARG 83 -15.491 -3.220 1.691 672 HA ARG 83 HA ARG 83 -13.301 -2.870 -0.021 673 1HB ARG 83 2HB ARG 83 -14.596 -0.423 0.103 674 2HB ARG 83 3HB ARG 83 -13.478 -0.314 1.447 675 1HG ARG 83 2HG ARG 83 -11.633 -1.067 -0.117 676 2HG ARG 83 3HG ARG 83 -12.815 -0.994 -1.445 677 1HD ARG 83 2HD ARG 83 -13.120 1.425 -1.054 678 2HD ARG 83 3HD ARG 83 -12.002 1.339 0.331 679 HE ARG 83 HE ARG 83 -10.821 0.327 -2.116 680 1HH1 ARG 83 1HH2 ARG 83 -11.652 3.349 -0.499 681 2HH1 ARG 83 2HH2 ARG 83 -10.269 4.223 -1.103 682 1HH2 ARG 83 1HH1 ARG 83 -8.934 1.452 -2.867 683 2HH2 ARG 83 2HH1 ARG 83 -8.749 3.143 -2.503 684 H GLY 84 H GLY 84 -14.017 -4.567 2.057 685 1HA GLY 84 2HA GLY 84 -12.636 -3.939 4.525 686 2HA GLY 84 3HA GLY 84 -13.079 -5.552 3.922 687 H ARG 85 H ARG 85 -10.527 -5.215 5.045 688 HA ARG 85 HA ARG 85 -8.695 -5.342 2.695 689 1HB ARG 85 2HB ARG 85 -7.199 -4.366 4.898 690 2HB ARG 85 3HB ARG 85 -7.609 -3.547 3.403 691 1HG ARG 85 2HG ARG 85 -8.197 -2.097 5.160 692 2HG ARG 85 3HG ARG 85 -9.703 -2.675 4.470 693 1HD ARG 85 2HD ARG 85 -9.250 -4.529 6.522 694 2HD ARG 85 3HD ARG 85 -8.512 -3.099 7.195 695 HE ARG 85 HE ARG 85 -11.322 -3.662 6.853 696 1HH1 ARG 85 1HH2 ARG 85 -9.014 -1.002 6.894 697 2HH1 ARG 85 2HH2 ARG 85 -10.188 0.212 7.327 698 1HH2 ARG 85 1HH1 ARG 85 -12.891 -2.092 7.355 699 2HH2 ARG 85 2HH1 ARG 85 -12.439 -0.425 7.582 700 H LYS 86 H LYS 86 -7.685 -7.260 2.620 701 HA LYS 86 HA LYS 86 -7.400 -8.854 5.120 702 1HB LYS 86 2HB LYS 86 -8.096 -9.627 2.290 703 2HB LYS 86 3HB LYS 86 -7.245 -10.774 3.321 704 1HG LYS 86 2HG LYS 86 -9.927 -9.491 4.019 705 2HG LYS 86 3HG LYS 86 -9.662 -11.106 3.366 706 1HD LYS 86 2HD LYS 86 -9.709 -11.751 5.527 707 2HD LYS 86 3HD LYS 86 -8.008 -11.344 5.473 708 1HE LYS 86 2HE LYS 86 -8.344 -9.879 7.194 709 2HE LYS 86 3HE LYS 86 -9.380 -8.899 6.165 710 1HZ LYS 86 1HZ LYS 86 -11.227 -10.266 6.775 711 2HZ LYS 86 2HZ LYS 86 -10.275 -11.182 7.762 712 3HZ LYS 86 3HZ LYS 86 -10.521 -9.588 8.101 713 H LEU 87 H LEU 87 -5.621 -9.741 5.663 714 HA LEU 87 HA LEU 87 -3.207 -8.438 4.804 715 1HB LEU 87 2HB LEU 87 -4.133 -8.972 7.116 716 2HB LEU 87 3HB LEU 87 -3.612 -10.637 6.887 717 HG LEU 87 HG LEU 87 -1.859 -8.140 6.883 718 1HD1 LEU 87 1HD1 LEU 87 -3.026 -8.889 9.077 719 2HD1 LEU 87 2HD1 LEU 87 -1.979 -10.314 9.010 720 3HD1 LEU 87 3HD1 LEU 87 -1.278 -8.689 9.117 721 1HD2 LEU 87 1HD2 LEU 87 -1.103 -11.114 6.878 722 2HD2 LEU 87 2HD2 LEU 87 -0.760 -9.956 5.582 723 3HD2 LEU 87 3HD2 LEU 87 0.035 -9.783 7.155 724 H LEU 88 H LEU 88 -2.713 -9.235 2.724 725 HA LEU 88 HA LEU 88 -1.675 -12.042 2.593 726 1HB LEU 88 2HB LEU 88 -2.765 -10.110 0.557 727 2HB LEU 88 3HB LEU 88 -1.590 -11.310 0.033 728 HG LEU 88 HG LEU 88 -4.177 -12.046 1.446 729 1HD1 LEU 88 1HD1 LEU 88 -5.005 -12.593 -0.811 730 2HD1 LEU 88 2HD1 LEU 88 -4.545 -10.882 -0.714 731 3HD1 LEU 88 3HD1 LEU 88 -3.477 -12.036 -1.530 732 1HD2 LEU 88 1HD2 LEU 88 -2.099 -13.654 -0.133 733 2HD2 LEU 88 2HD2 LEU 88 -2.461 -13.830 1.595 734 3HD2 LEU 88 3HD2 LEU 88 -3.670 -14.285 0.393 735 H ARG 89 H ARG 89 -0.662 -9.110 3.520 736 HA ARG 89 HA ARG 89 1.581 -8.701 1.863 737 1HB ARG 89 2HB ARG 89 2.460 -7.330 3.835 738 2HB ARG 89 3HB ARG 89 0.997 -6.828 2.981 739 1HG ARG 89 2HG ARG 89 -0.393 -7.673 4.811 740 2HG ARG 89 3HG ARG 89 1.079 -8.233 5.645 741 1HD ARG 89 2HD ARG 89 0.241 -6.099 6.506 742 2HD ARG 89 3HD ARG 89 1.867 -5.924 5.848 743 HE ARG 89 HE ARG 89 -0.630 -4.665 4.935 744 1HH1 ARG 89 1HH2 ARG 89 2.715 -5.317 4.033 745 2HH1 ARG 89 2HH2 ARG 89 2.726 -4.144 2.738 746 1HH2 ARG 89 1HH1 ARG 89 -0.608 -3.131 3.312 747 2HH2 ARG 89 2HH1 ARG 89 0.803 -2.889 2.328 748 H PHE 90 H PHE 90 3.888 -8.740 2.664 749 HA PHE 90 HA PHE 90 5.684 -9.783 3.479 750 1HB PHE 90 2HB PHE 90 3.636 -10.157 5.609 751 2HB PHE 90 3HB PHE 90 4.967 -11.301 5.642 752 HD1 PHE 90 1HD PHE 90 3.926 -7.864 6.215 753 HD2 PHE 90 2HD PHE 90 7.312 -10.504 5.743 754 HE1 PHE 90 1HE PHE 90 5.431 -6.206 7.329 755 HE2 PHE 90 2HE PHE 90 8.838 -8.694 6.378 756 HZ PHE 90 HZ PHE 90 7.955 -6.476 7.013 757 H ASN 91 H ASN 91 5.781 -10.949 1.496 758 HA ASN 91 HA ASN 91 5.627 -13.867 1.855 759 1HB ASN 91 2HB ASN 91 3.711 -12.264 0.279 760 2HB ASN 91 3HB ASN 91 4.627 -13.344 -0.763 761 1HD2 ASN 91 2HD2 ASN 91 3.294 -13.684 2.623 762 2HD2 ASN 91 1HD2 ASN 91 2.396 -15.142 2.233 763 H GLY 92 H GLY 92 6.656 -14.955 -0.039 764 1HA GLY 92 2HA GLY 92 8.395 -15.034 -1.637 765 2HA GLY 92 3HA GLY 92 8.898 -13.403 -1.210 766 HA PRO 93 HA PRO 93 10.290 -12.284 0.281 767 1HB PRO 93 2HB PRO 93 12.993 -12.104 0.598 768 2HB PRO 93 3HB PRO 93 11.872 -12.232 1.982 769 1HG PRO 93 2HG PRO 93 13.395 -14.490 0.639 770 2HG PRO 93 3HG PRO 93 13.349 -14.099 2.385 771 1HD PRO 93 2HD PRO 93 11.712 -15.988 1.315 772 2HD PRO 93 3HD PRO 93 11.095 -14.880 2.571 773 H VAL 94 H VAL 94 11.595 -11.100 -1.448 774 HA VAL 94 HA VAL 94 12.141 -12.880 -3.772 775 HB VAL 94 HB VAL 94 10.906 -10.101 -3.679 776 1HG1 VAL 94 1HG1 VAL 94 12.228 -10.468 -5.760 777 2HG1 VAL 94 2HG1 VAL 94 11.276 -11.939 -6.077 778 3HG1 VAL 94 3HG1 VAL 94 10.494 -10.351 -6.058 779 1HG2 VAL 94 1HG2 VAL 94 9.726 -12.861 -4.236 780 2HG2 VAL 94 2HG2 VAL 94 9.283 -11.754 -2.919 781 3HG2 VAL 94 3HG2 VAL 94 8.889 -11.343 -4.592 782 HA PRO 95 HA PRO 95 16.148 -10.919 -3.403 783 1HB PRO 95 2HB PRO 95 17.259 -11.480 -5.861 784 2HB PRO 95 3HB PRO 95 17.005 -12.719 -4.596 785 1HG PRO 95 2HG PRO 95 15.196 -12.064 -6.938 786 2HG PRO 95 3HG PRO 95 15.801 -13.674 -6.445 787 1HD PRO 95 2HD PRO 95 13.351 -12.804 -5.719 788 2HD PRO 95 3HD PRO 95 14.347 -13.723 -4.557 789 HA PRO 96 HA PRO 96 15.554 -6.955 -5.293 790 1HB PRO 96 2HB PRO 96 18.114 -5.962 -5.623 791 2HB PRO 96 3HB PRO 96 17.345 -6.163 -4.023 792 1HG PRO 96 2HG PRO 96 19.215 -8.088 -5.431 793 2HG PRO 96 3HG PRO 96 19.336 -7.480 -3.752 794 1HD PRO 96 2HD PRO 96 18.218 -9.886 -4.300 795 2HD PRO 96 3HD PRO 96 17.494 -8.826 -3.055 796 HA PRO 97 HA PRO 97 15.912 -7.515 -9.689 797 1HB PRO 97 2HB PRO 97 15.547 -4.999 -10.656 798 2HB PRO 97 3HB PRO 97 14.256 -5.867 -9.775 799 1HG PRO 97 2HG PRO 97 16.219 -3.853 -8.630 800 2HG PRO 97 3HG PRO 97 14.435 -3.834 -8.486 801 1HD PRO 97 2HD PRO 97 16.020 -4.887 -6.540 802 2HD PRO 97 3HD PRO 97 14.460 -5.654 -6.963 Start of MODEL 12 1 1H MET 1 1H MET 1 -8.342 -2.612 -19.354 2 2H MET 1 2H MET 1 -7.102 -1.887 -18.536 3 3H MET 1 3H MET 1 -7.819 -1.114 -19.796 4 HA MET 1 HA MET 1 -8.474 -0.173 -17.745 5 1HB MET 1 2HB MET 1 -10.030 -0.342 -19.782 6 2HB MET 1 3HB MET 1 -10.834 -1.680 -18.954 7 1HG MET 1 2HG MET 1 -12.082 0.289 -18.473 8 2HG MET 1 3HG MET 1 -11.194 -0.073 -16.989 9 1HE MET 1 1HE MET 1 -12.631 2.666 -17.432 10 2HE MET 1 2HE MET 1 -11.617 2.331 -15.999 11 3HE MET 1 3HE MET 1 -11.376 3.824 -16.929 12 H GLY 2 H GLY 2 -9.848 -3.484 -18.042 13 1HA GLY 2 2HA GLY 2 -10.337 -3.680 -15.162 14 2HA GLY 2 3HA GLY 2 -10.666 -4.891 -16.404 15 H GLU 3 H GLU 3 -7.539 -4.099 -17.001 16 HA GLU 3 HA GLU 3 -6.423 -6.452 -15.593 17 1HB GLU 3 2HB GLU 3 -4.496 -6.086 -16.973 18 2HB GLU 3 3HB GLU 3 -5.950 -6.045 -17.955 19 1HG GLU 3 2HG GLU 3 -5.863 -3.540 -17.981 20 2HG GLU 3 3HG GLU 3 -4.375 -3.599 -17.032 21 H TRP 4 H TRP 4 -3.838 -5.494 -15.172 22 HA TRP 4 HA TRP 4 -4.136 -4.373 -12.519 23 1HB TRP 4 2HB TRP 4 -1.697 -4.824 -14.277 24 2HB TRP 4 3HB TRP 4 -1.662 -4.316 -12.611 25 HD1 TRP 4 HD TRP 4 -3.432 -7.384 -14.308 26 HE1 TRP 4 1HE TRP 4 -2.749 -9.467 -13.019 27 HE3 TRP 4 3HE TRP 4 -0.581 -5.173 -10.701 28 HZ2 TRP 4 2HZ TRP 4 -1.077 -10.128 -10.720 29 HZ3 TRP 4 3HZ TRP 4 0.579 -6.538 -9.002 30 HH2 TRP 4 HH TRP 4 0.335 -9.021 -8.987 31 H GLU 5 H GLU 5 -2.918 -2.342 -11.896 32 HA GLU 5 HA GLU 5 -2.539 -0.375 -14.027 33 1HB GLU 5 2HB GLU 5 -4.984 -0.438 -13.747 34 2HB GLU 5 3HB GLU 5 -4.831 0.049 -12.054 35 1HG GLU 5 2HG GLU 5 -4.031 2.255 -12.771 36 2HG GLU 5 3HG GLU 5 -3.853 1.676 -14.453 37 H ILE 6 H ILE 6 -2.010 1.731 -13.170 38 HA ILE 6 HA ILE 6 0.193 1.483 -11.339 39 HB ILE 6 HB ILE 6 -1.125 3.996 -12.403 40 1HG1 ILE 6 2HG1 ILE 6 1.221 2.424 -13.577 41 2HG1 ILE 6 3HG1 ILE 6 -0.412 2.459 -14.252 42 1HG2 ILE 6 1HG2 ILE 6 0.404 4.409 -10.482 43 2HG2 ILE 6 2HG2 ILE 6 1.698 3.548 -11.338 44 3HG2 ILE 6 3HG2 ILE 6 1.052 5.081 -11.961 45 1HD1 ILE 6 1HD1 ILE 6 -0.225 4.942 -14.531 46 2HD1 ILE 6 2HD1 ILE 6 1.502 4.802 -14.113 47 3HD1 ILE 6 3HD1 ILE 6 0.865 3.970 -15.536 48 H ILE 7 H ILE 7 0.295 2.058 -9.166 49 HA ILE 7 HA ILE 7 -2.181 2.387 -7.685 50 HB ILE 7 HB ILE 7 -0.139 1.040 -7.095 51 1HG1 ILE 7 2HG1 ILE 7 -0.979 2.881 -4.863 52 2HG1 ILE 7 3HG1 ILE 7 -1.961 1.536 -5.504 53 1HG2 ILE 7 1HG2 ILE 7 1.766 1.993 -6.151 54 2HG2 ILE 7 2HG2 ILE 7 1.491 3.007 -7.567 55 3HG2 ILE 7 3HG2 ILE 7 1.084 3.573 -5.931 56 1HD1 ILE 7 1HD1 ILE 7 -0.071 -0.022 -4.947 57 2HD1 ILE 7 2HD1 ILE 7 0.693 1.345 -4.087 58 3HD1 ILE 7 3HD1 ILE 7 -0.877 0.738 -3.561 59 H ASP 8 H ASP 8 -2.272 4.472 -9.372 60 HA ASP 8 HA ASP 8 -0.781 6.810 -8.492 61 1HB ASP 8 2HB ASP 8 -1.363 6.455 -10.855 62 2HB ASP 8 3HB ASP 8 -3.088 6.524 -10.461 63 H ILE 9 H ILE 9 -1.539 6.470 -6.287 64 HA ILE 9 HA ILE 9 -4.072 7.856 -5.562 65 HB ILE 9 HB ILE 9 -3.024 5.187 -4.487 66 1HG1 ILE 9 2HG1 ILE 9 -3.959 4.872 -6.784 67 2HG1 ILE 9 3HG1 ILE 9 -4.841 4.036 -5.529 68 1HG2 ILE 9 1HG2 ILE 9 -4.265 6.093 -2.714 69 2HG2 ILE 9 2HG2 ILE 9 -5.461 6.851 -3.807 70 3HG2 ILE 9 3HG2 ILE 9 -5.440 5.098 -3.577 71 1HD1 ILE 9 1HD1 ILE 9 -6.633 5.685 -5.549 72 2HD1 ILE 9 2HD1 ILE 9 -5.728 6.727 -6.659 73 3HD1 ILE 9 3HD1 ILE 9 -6.312 5.146 -7.204 74 H GLY 10 H GLY 10 -4.035 8.080 -3.046 75 1HA GLY 10 2HA GLY 10 -1.361 8.811 -1.984 76 2HA GLY 10 3HA GLY 10 -2.665 10.002 -1.975 77 HA PRO 11 HA PRO 11 -4.051 8.566 1.872 78 1HB PRO 11 2HB PRO 11 -6.818 8.263 1.687 79 2HB PRO 11 3HB PRO 11 -5.935 9.802 1.858 80 1HG PRO 11 2HG PRO 11 -6.927 8.518 -0.694 81 2HG PRO 11 3HG PRO 11 -7.095 10.221 -0.181 82 1HD PRO 11 2HD PRO 11 -5.157 9.525 -1.900 83 2HD PRO 11 3HD PRO 11 -4.765 10.646 -0.567 84 H PHE 12 H PHE 12 -5.603 6.552 -0.692 85 HA PHE 12 HA PHE 12 -6.024 4.318 1.023 86 1HB PHE 12 2HB PHE 12 -6.845 4.917 -1.471 87 2HB PHE 12 3HB PHE 12 -5.544 3.796 -1.873 88 HD1 PHE 12 1HD PHE 12 -8.913 4.171 -0.468 89 HD2 PHE 12 2HD PHE 12 -5.683 1.429 -1.265 90 HE1 PHE 12 1HE PHE 12 -10.481 2.264 -0.270 91 HE2 PHE 12 2HE PHE 12 -7.225 -0.481 -0.825 92 HZ PHE 12 HZ PHE 12 -9.623 -0.073 -0.435 93 H THR 13 H THR 13 -3.349 4.930 -1.349 94 HA THR 13 HA THR 13 -1.950 2.532 -0.666 95 HB THR 13 HB THR 13 -1.599 3.679 -2.767 96 HG1 THR 13 1HG THR 13 0.700 3.379 -1.147 97 1HG2 THR 13 1HG2 THR 13 -1.582 6.029 -2.134 98 2HG2 THR 13 2HG2 THR 13 -0.086 5.810 -1.193 99 3HG2 THR 13 3HG2 THR 13 -0.080 5.600 -2.953 100 H GLN 14 H GLN 14 -1.889 5.856 0.691 101 HA GLN 14 HA GLN 14 0.217 5.429 2.548 102 1HB GLN 14 2HB GLN 14 -2.219 7.180 2.393 103 2HB GLN 14 3HB GLN 14 -1.262 7.134 3.845 104 1HG GLN 14 2HG GLN 14 0.741 7.862 2.614 105 2HG GLN 14 3HG GLN 14 -0.084 7.644 1.068 106 1HE2 GLN 14 2HE2 GLN 14 -0.309 9.536 4.137 107 2HE2 GLN 14 1HE2 GLN 14 -0.981 10.960 3.360 108 H ASN 15 H ASN 15 -3.317 4.871 2.907 109 HA ASN 15 HA ASN 15 -3.345 3.849 5.496 110 1HB ASN 15 2HB ASN 15 -5.341 4.227 3.977 111 2HB ASN 15 3HB ASN 15 -5.014 2.663 3.236 112 1HD2 ASN 15 2HD2 ASN 15 -6.437 4.237 5.978 113 2HD2 ASN 15 1HD2 ASN 15 -6.850 2.764 6.840 114 H LEU 16 H LEU 16 -2.961 1.935 2.530 115 HA LEU 16 HA LEU 16 -2.285 -0.611 3.643 116 1HB LEU 16 2HB LEU 16 -1.377 0.740 1.045 117 2HB LEU 16 3HB LEU 16 -0.890 -0.870 1.550 118 HG LEU 16 HG LEU 16 -3.416 -1.394 1.752 119 1HD1 LEU 16 1HD1 LEU 16 -4.374 0.787 1.401 120 2HD1 LEU 16 2HD1 LEU 16 -3.521 0.949 -0.164 121 3HD1 LEU 16 3HD1 LEU 16 -4.778 -0.279 0.042 122 1HD2 LEU 16 1HD2 LEU 16 -2.064 -0.969 -0.957 123 2HD2 LEU 16 2HD2 LEU 16 -1.863 -2.385 0.100 124 3HD2 LEU 16 3HD2 LEU 16 -3.433 -2.053 -0.636 125 H ALA 17 H ALA 17 -0.103 2.110 2.763 126 HA ALA 17 HA ALA 17 2.303 0.805 3.428 127 1HB ALA 17 1HB ALA 17 2.097 2.919 2.162 128 2HB ALA 17 2HB ALA 17 1.621 3.766 3.644 129 3HB ALA 17 3HB ALA 17 3.243 3.058 3.517 130 H LYS 18 H LYS 18 0.187 2.876 5.448 131 HA LYS 18 HA LYS 18 1.529 2.563 7.908 132 1HB LYS 18 2HB LYS 18 -1.091 3.500 6.962 133 2HB LYS 18 3HB LYS 18 -1.300 2.550 8.421 134 1HG LYS 18 2HG LYS 18 0.628 4.892 8.159 135 2HG LYS 18 3HG LYS 18 -1.019 4.974 8.808 136 1HD LYS 18 2HD LYS 18 -0.368 3.197 10.505 137 2HD LYS 18 3HD LYS 18 1.306 3.350 9.956 138 1HE LYS 18 2HE LYS 18 1.122 4.728 11.891 139 2HE LYS 18 3HE LYS 18 1.168 5.839 10.512 140 1HZ LYS 18 1HZ LYS 18 -1.234 5.986 10.672 141 2HZ LYS 18 2HZ LYS 18 -1.242 4.946 11.952 142 3HZ LYS 18 3HZ LYS 18 -0.522 6.422 12.092 143 H PHE 19 H PHE 19 -1.206 0.663 6.601 144 HA PHE 19 HA PHE 19 -1.551 -1.204 8.552 145 1HB PHE 19 2HB PHE 19 -2.808 -0.790 6.368 146 2HB PHE 19 3HB PHE 19 -1.660 -1.858 5.599 147 HD1 PHE 19 1HD PHE 19 -1.617 -4.374 6.399 148 HD2 PHE 19 2HD PHE 19 -4.715 -1.657 7.619 149 HE1 PHE 19 1HE PHE 19 -3.360 -6.045 5.753 150 HE2 PHE 19 2HE PHE 19 -6.410 -3.413 7.154 151 HZ PHE 19 HZ PHE 19 -5.739 -5.302 5.604 152 H ALA 20 H ALA 20 0.829 -1.435 5.843 153 HA ALA 20 HA ALA 20 1.907 -3.926 6.403 154 1HB ALA 20 1HB ALA 20 2.709 -2.318 4.579 155 2HB ALA 20 2HB ALA 20 3.778 -1.630 5.814 156 3HB ALA 20 3HB ALA 20 3.922 -3.341 5.388 157 H VAL 21 H VAL 21 2.699 -0.885 8.071 158 HA VAL 21 HA VAL 21 4.624 -2.228 9.879 159 HB VAL 21 HB VAL 21 3.703 0.683 9.611 160 1HG1 VAL 21 1HG1 VAL 21 4.385 0.208 11.953 161 2HG1 VAL 21 2HG1 VAL 21 5.880 -0.554 11.367 162 3HG1 VAL 21 3HG1 VAL 21 5.608 1.185 11.134 163 1HG2 VAL 21 1HG2 VAL 21 5.127 -0.134 7.728 164 2HG2 VAL 21 2HG2 VAL 21 5.933 1.088 8.722 165 3HG2 VAL 21 3HG2 VAL 21 6.359 -0.620 8.920 166 H ASP 22 H ASP 22 1.823 -0.066 10.243 167 HA ASP 22 HA ASP 22 1.355 -0.428 12.951 168 1HB ASP 22 2HB ASP 22 0.397 1.388 11.701 169 2HB ASP 22 3HB ASP 22 -0.572 0.280 10.705 170 H GLU 23 H GLU 23 -0.293 -2.275 10.192 171 HA GLU 23 HA GLU 23 -1.958 -3.560 12.110 172 1HB GLU 23 2HB GLU 23 -1.971 -3.335 9.382 173 2HB GLU 23 3HB GLU 23 -1.430 -5.011 9.553 174 1HG GLU 23 2HG GLU 23 -3.880 -3.616 10.714 175 2HG GLU 23 3HG GLU 23 -3.871 -4.771 9.369 176 H GLU 24 H GLU 24 1.140 -4.541 10.556 177 HA GLU 24 HA GLU 24 1.345 -7.075 11.853 178 1HB GLU 24 2HB GLU 24 2.985 -6.548 10.137 179 2HB GLU 24 3HB GLU 24 3.601 -5.168 11.004 180 1HG GLU 24 2HG GLU 24 3.584 -7.952 12.247 181 2HG GLU 24 3HG GLU 24 4.840 -7.414 11.156 182 H ASN 25 H ASN 25 2.433 -3.825 12.880 183 HA ASN 25 HA ASN 25 3.582 -4.520 15.297 184 1HB ASN 25 2HB ASN 25 3.165 -2.157 14.016 185 2HB ASN 25 3HB ASN 25 1.925 -1.991 15.244 186 1HD2 ASN 25 2HD2 ASN 25 5.390 -2.937 14.865 187 2HD2 ASN 25 1HD2 ASN 25 5.918 -2.155 16.345 188 H LYS 26 H LYS 26 0.160 -3.804 14.597 189 HA LYS 26 HA LYS 26 -0.532 -4.004 17.402 190 1HB LYS 26 2HB LYS 26 -2.362 -2.938 16.870 191 2HB LYS 26 3HB LYS 26 -1.613 -2.694 15.319 192 1HG LYS 26 2HG LYS 26 -3.791 -3.308 14.861 193 2HG LYS 26 3HG LYS 26 -2.873 -4.763 14.477 194 1HD LYS 26 2HD LYS 26 -3.752 -5.921 16.360 195 2HD LYS 26 3HD LYS 26 -3.937 -4.438 17.293 196 1HE LYS 26 2HE LYS 26 -6.130 -5.289 16.764 197 2HE LYS 26 3HE LYS 26 -5.881 -3.778 15.879 198 1HZ LYS 26 1HZ LYS 26 -5.318 -5.143 13.942 199 2HZ LYS 26 2HZ LYS 26 -5.639 -6.500 14.809 200 3HZ LYS 26 3HZ LYS 26 -6.849 -5.432 14.489 201 H ILE 27 H ILE 27 -0.762 -6.287 14.661 202 HA ILE 27 HA ILE 27 -2.178 -8.244 16.357 203 HB ILE 27 HB ILE 27 -1.416 -8.062 13.445 204 1HG1 ILE 27 2HG1 ILE 27 -3.521 -7.015 14.247 205 2HG1 ILE 27 3HG1 ILE 27 -3.772 -8.288 13.057 206 1HG2 ILE 27 1HG2 ILE 27 -0.867 -10.336 13.846 207 2HG2 ILE 27 2HG2 ILE 27 -2.307 -10.562 14.863 208 3HG2 ILE 27 3HG2 ILE 27 -2.475 -10.319 13.111 209 1HD1 ILE 27 1HD1 ILE 27 -4.420 -9.874 14.892 210 2HD1 ILE 27 2HD1 ILE 27 -4.303 -8.533 16.051 211 3HD1 ILE 27 3HD1 ILE 27 -5.480 -8.483 14.736 212 H GLY 28 H GLY 28 1.039 -8.024 14.866 213 1HA GLY 28 2HA GLY 28 2.996 -9.091 15.287 214 2HA GLY 28 3HA GLY 28 2.376 -9.311 16.930 215 H GLN 29 H GLN 29 1.435 -10.734 13.753 216 HA GLN 29 HA GLN 29 1.605 -13.477 14.913 217 1HB GLN 29 2HB GLN 29 0.132 -12.209 12.668 218 2HB GLN 29 3HB GLN 29 0.900 -13.731 12.252 219 1HG GLN 29 2HG GLN 29 -1.260 -14.299 13.001 220 2HG GLN 29 3HG GLN 29 -0.151 -14.830 14.261 221 1HE2 GLN 29 2HE2 GLN 29 0.204 -12.704 15.983 222 2HE2 GLN 29 1HE2 GLN 29 -1.309 -12.008 16.461 223 H TYR 30 H TYR 30 3.011 -11.689 12.173 224 HA TYR 30 HA TYR 30 4.651 -14.043 11.525 225 1HB TYR 30 2HB TYR 30 5.471 -12.328 9.679 226 2HB TYR 30 3HB TYR 30 4.021 -13.298 9.542 227 HD1 TYR 30 1HD TYR 30 5.210 -10.032 9.038 228 HD2 TYR 30 2HD TYR 30 1.754 -12.276 10.311 229 HE1 TYR 30 1HE TYR 30 3.764 -8.093 8.575 230 HE2 TYR 30 2HE TYR 30 0.348 -10.262 10.049 231 HH TYR 30 HH TYR 30 0.381 -7.970 9.669 232 H GLY 31 H GLY 31 5.667 -10.588 11.669 233 1HA GLY 31 2HA GLY 31 6.999 -10.623 14.071 234 2HA GLY 31 3HA GLY 31 8.192 -11.355 12.990 235 H ARG 32 H ARG 32 8.615 -10.212 11.000 236 HA ARG 32 HA ARG 32 8.974 -8.487 9.626 237 1HB ARG 32 2HB ARG 32 6.573 -8.065 10.239 238 2HB ARG 32 3HB ARG 32 7.164 -6.750 11.301 239 1HG ARG 32 2HG ARG 32 8.258 -5.853 9.122 240 2HG ARG 32 3HG ARG 32 7.230 -7.031 8.307 241 1HD ARG 32 2HD ARG 32 5.234 -5.942 9.234 242 2HD ARG 32 3HD ARG 32 6.195 -4.937 10.326 243 HE ARG 32 HE ARG 32 5.380 -4.284 7.754 244 1HH1 ARG 32 1HH2 ARG 32 8.165 -3.872 9.952 245 2HH1 ARG 32 2HH2 ARG 32 8.844 -2.583 9.006 246 1HH2 ARG 32 1HH1 ARG 32 6.338 -2.585 6.535 247 2HH2 ARG 32 2HH1 ARG 32 7.793 -1.813 7.112 248 H LEU 33 H LEU 33 9.964 -6.372 9.420 249 HA LEU 33 HA LEU 33 11.987 -5.792 11.473 250 1HB LEU 33 2HB LEU 33 11.863 -4.728 8.670 251 2HB LEU 33 3HB LEU 33 13.277 -5.024 9.669 252 HG LEU 33 HG LEU 33 13.302 -6.537 7.881 253 1HD1 LEU 33 1HD1 LEU 33 13.969 -7.442 10.109 254 2HD1 LEU 33 2HD1 LEU 33 12.355 -8.161 10.280 255 3HD1 LEU 33 3HD1 LEU 33 13.419 -8.698 8.972 256 1HD2 LEU 33 1HD2 LEU 33 10.786 -8.032 8.459 257 2HD2 LEU 33 2HD2 LEU 33 10.702 -6.549 7.484 258 3HD2 LEU 33 3HD2 LEU 33 11.731 -7.908 7.003 259 H THR 34 H THR 34 12.390 -3.078 10.066 260 HA THR 34 HA THR 34 10.315 -1.686 11.746 261 HB THR 34 HB THR 34 12.584 -1.478 12.543 262 HG1 THR 34 1HG THR 34 12.454 0.777 12.742 263 1HG2 THR 34 1HG2 THR 34 13.881 -1.510 10.442 264 2HG2 THR 34 2HG2 THR 34 13.161 0.048 9.963 265 3HG2 THR 34 3HG2 THR 34 14.216 -0.053 11.382 266 H PHE 35 H PHE 35 10.552 0.833 10.843 267 HA PHE 35 HA PHE 35 8.816 0.700 8.496 268 1HB PHE 35 2HB PHE 35 8.434 3.118 8.968 269 2HB PHE 35 3HB PHE 35 7.951 1.997 10.227 270 HD1 PHE 35 1HD PHE 35 9.185 1.847 12.383 271 HD2 PHE 35 2HD PHE 35 10.145 4.821 9.402 272 HE1 PHE 35 1HE PHE 35 10.406 3.167 14.082 273 HE2 PHE 35 2HE PHE 35 11.347 6.140 11.112 274 HZ PHE 35 HZ PHE 35 11.490 5.317 13.455 275 H ASN 36 H ASN 36 10.866 -0.113 7.371 276 HA ASN 36 HA ASN 36 12.968 1.731 6.890 277 1HB ASN 36 2HB ASN 36 12.942 -0.509 4.986 278 2HB ASN 36 3HB ASN 36 14.126 0.005 6.156 279 1HD2 ASN 36 2HD2 ASN 36 11.146 -1.888 5.653 280 2HD2 ASN 36 1HD2 ASN 36 11.043 -2.515 7.308 281 H LYS 37 H LYS 37 11.315 0.230 4.010 282 HA LYS 37 HA LYS 37 10.298 2.708 3.051 283 1HB LYS 37 2HB LYS 37 13.126 2.404 2.663 284 2HB LYS 37 3HB LYS 37 12.397 2.112 1.094 285 1HG LYS 37 2HG LYS 37 11.203 4.270 1.215 286 2HG LYS 37 3HG LYS 37 11.803 4.524 2.868 287 1HD LYS 37 2HD LYS 37 14.131 4.522 2.049 288 2HD LYS 37 3HD LYS 37 13.569 4.311 0.383 289 1HE LYS 37 2HE LYS 37 12.852 6.678 2.193 290 2HE LYS 37 3HE LYS 37 14.153 6.685 0.995 291 1HZ LYS 37 1HZ LYS 37 12.537 6.286 -0.706 292 2HZ LYS 37 2HZ LYS 37 11.308 6.291 0.394 293 3HZ LYS 37 3HZ LYS 37 12.183 7.661 0.128 294 H VAL 38 H VAL 38 10.186 2.345 0.401 295 HA VAL 38 HA VAL 38 9.344 -0.377 -0.278 296 HB VAL 38 HB VAL 38 7.444 0.793 0.767 297 1HG1 VAL 38 1HG1 VAL 38 8.020 3.154 0.230 298 2HG1 VAL 38 2HG1 VAL 38 7.645 2.847 -1.478 299 3HG1 VAL 38 3HG1 VAL 38 6.372 2.746 -0.255 300 1HG2 VAL 38 1HG2 VAL 38 7.098 0.393 -2.235 301 2HG2 VAL 38 2HG2 VAL 38 6.839 -0.800 -0.938 302 3HG2 VAL 38 3HG2 VAL 38 5.768 0.588 -1.078 303 H ILE 39 H ILE 39 9.369 -0.585 -2.658 304 HA ILE 39 HA ILE 39 11.414 0.929 -3.898 305 HB ILE 39 HB ILE 39 10.254 0.069 -6.101 306 1HG1 ILE 39 2HG1 ILE 39 9.186 -2.039 -4.221 307 2HG1 ILE 39 3HG1 ILE 39 8.140 -0.704 -4.696 308 1HG2 ILE 39 1HG2 ILE 39 12.403 -0.661 -5.288 309 2HG2 ILE 39 2HG2 ILE 39 11.633 -1.670 -4.047 310 3HG2 ILE 39 3HG2 ILE 39 11.477 -2.089 -5.766 311 1HD1 ILE 39 1HD1 ILE 39 8.505 -1.229 -7.089 312 2HD1 ILE 39 2HD1 ILE 39 9.457 -2.658 -6.619 313 3HD1 ILE 39 3HD1 ILE 39 7.740 -2.550 -6.197 314 H ARG 40 H ARG 40 7.929 1.155 -4.711 315 HA ARG 40 HA ARG 40 6.637 2.828 -5.257 316 1HB ARG 40 2HB ARG 40 7.823 4.106 -3.502 317 2HB ARG 40 3HB ARG 40 8.817 4.861 -4.754 318 1HG ARG 40 2HG ARG 40 6.954 5.944 -5.752 319 2HG ARG 40 3HG ARG 40 5.771 4.932 -4.899 320 1HD ARG 40 2HD ARG 40 7.692 6.801 -3.486 321 2HD ARG 40 3HD ARG 40 6.035 7.257 -3.944 322 HE ARG 40 HE ARG 40 5.577 4.959 -2.603 323 1HH1 ARG 40 1HH2 ARG 40 7.443 7.827 -1.703 324 2HH1 ARG 40 2HH2 ARG 40 7.146 7.650 0.004 325 1HH2 ARG 40 1HH1 ARG 40 5.142 4.749 -0.391 326 2HH2 ARG 40 2HH1 ARG 40 5.807 5.872 0.762 327 HA PRO 41 HA PRO 41 5.237 3.563 -6.879 328 1HB PRO 41 2HB PRO 41 4.098 2.498 -9.128 329 2HB PRO 41 3HB PRO 41 4.723 4.163 -9.028 330 1HG PRO 41 2HG PRO 41 6.158 1.725 -10.109 331 2HG PRO 41 3HG PRO 41 5.937 3.310 -10.912 332 1HD PRO 41 2HD PRO 41 8.217 2.720 -9.542 333 2HD PRO 41 3HD PRO 41 7.505 4.355 -9.451 334 H CYS 42 H CYS 42 3.459 1.784 -7.202 335 HA CYS 42 HA CYS 42 4.279 -0.976 -6.664 336 1HB CYS 42 2HB CYS 42 2.739 0.817 -4.750 337 2HB CYS 42 3HB CYS 42 2.395 -0.905 -4.822 338 HG CYS 42 HG CYS 42 4.081 -0.183 -2.797 339 H MET 43 H MET 43 1.808 -2.191 -6.776 340 HA MET 43 HA MET 43 0.425 -0.798 -9.016 341 1HB MET 43 2HB MET 43 2.493 -2.316 -9.639 342 2HB MET 43 3HB MET 43 1.348 -3.643 -9.405 343 1HG MET 43 2HG MET 43 -0.056 -2.768 -11.202 344 2HG MET 43 3HG MET 43 0.796 -1.217 -11.167 345 1HE MET 43 1HE MET 43 2.412 -4.827 -11.224 346 2HE MET 43 2HE MET 43 1.096 -4.968 -12.425 347 3HE MET 43 3HE MET 43 2.789 -4.963 -12.955 348 H LYS 44 H LYS 44 -1.634 -1.281 -9.391 349 HA LYS 44 HA LYS 44 -3.061 -2.728 -7.261 350 1HB LYS 44 2HB LYS 44 -3.734 -0.410 -7.857 351 2HB LYS 44 3HB LYS 44 -4.064 -0.955 -9.513 352 1HG LYS 44 2HG LYS 44 -5.849 -2.474 -8.671 353 2HG LYS 44 3HG LYS 44 -5.431 -2.048 -7.003 354 1HD LYS 44 2HD LYS 44 -7.441 -0.933 -7.744 355 2HD LYS 44 3HD LYS 44 -6.174 0.259 -7.401 356 1HE LYS 44 2HE LYS 44 -5.738 0.569 -9.789 357 2HE LYS 44 3HE LYS 44 -6.802 -0.791 -10.210 358 1HZ LYS 44 1HZ LYS 44 -8.633 0.472 -9.366 359 2HZ LYS 44 2HZ LYS 44 -7.643 1.725 -8.956 360 3HZ LYS 44 3HZ LYS 44 -7.841 1.315 -10.540 361 H LYS 45 H LYS 45 -4.599 -4.320 -7.713 362 HA LYS 45 HA LYS 45 -4.717 -5.575 -10.389 363 1HB LYS 45 2HB LYS 45 -2.928 -6.705 -9.256 364 2HB LYS 45 3HB LYS 45 -3.814 -6.766 -7.755 365 1HG LYS 45 2HG LYS 45 -5.272 -8.210 -9.907 366 2HG LYS 45 3HG LYS 45 -3.610 -8.753 -9.742 367 1HD LYS 45 2HD LYS 45 -4.104 -8.848 -7.186 368 2HD LYS 45 3HD LYS 45 -5.811 -8.805 -7.682 369 1HE LYS 45 2HE LYS 45 -5.167 -11.102 -7.394 370 2HE LYS 45 3HE LYS 45 -5.199 -10.861 -9.156 371 1HZ LYS 45 1HZ LYS 45 -2.790 -10.569 -9.011 372 2HZ LYS 45 2HZ LYS 45 -2.847 -10.809 -7.381 373 3HZ LYS 45 3HZ LYS 45 -3.250 -12.033 -8.406 374 H THR 46 H THR 46 -6.784 -6.602 -10.672 375 HA THR 46 HA THR 46 -8.602 -6.666 -8.322 376 HB THR 46 HB THR 46 -9.068 -4.775 -9.803 377 HG1 THR 46 1HG THR 46 -11.294 -5.296 -9.979 378 1HG2 THR 46 1HG2 THR 46 -8.386 -5.720 -12.000 379 2HG2 THR 46 2HG2 THR 46 -9.838 -6.743 -11.970 380 3HG2 THR 46 3HG2 THR 46 -9.992 -4.982 -12.007 381 H ILE 47 H ILE 47 -8.915 -8.824 -7.833 382 HA ILE 47 HA ILE 47 -8.239 -10.735 -9.971 383 HB ILE 47 HB ILE 47 -7.380 -11.297 -7.896 384 1HG1 ILE 47 2HG1 ILE 47 -9.775 -13.131 -8.442 385 2HG1 ILE 47 3HG1 ILE 47 -8.298 -13.085 -9.408 386 1HG2 ILE 47 1HG2 ILE 47 -8.683 -10.129 -6.351 387 2HG2 ILE 47 2HG2 ILE 47 -10.175 -10.948 -6.870 388 3HG2 ILE 47 3HG2 ILE 47 -8.919 -11.823 -5.947 389 1HD1 ILE 47 1HD1 ILE 47 -6.989 -13.694 -7.340 390 2HD1 ILE 47 2HD1 ILE 47 -8.536 -13.915 -6.483 391 3HD1 ILE 47 3HD1 ILE 47 -8.145 -14.929 -7.876 392 H TYR 48 H TYR 48 -9.538 -12.120 -10.930 393 HA TYR 48 HA TYR 48 -12.280 -11.143 -11.379 394 1HB TYR 48 2HB TYR 48 -10.587 -13.230 -12.799 395 2HB TYR 48 3HB TYR 48 -12.055 -12.524 -13.447 396 HD1 TYR 48 1HD TYR 48 -11.556 -9.661 -12.764 397 HD2 TYR 48 2HD TYR 48 -9.066 -12.682 -14.538 398 HE1 TYR 48 1HE TYR 48 -10.268 -7.892 -13.968 399 HE2 TYR 48 2HE TYR 48 -7.755 -10.927 -15.706 400 HH TYR 48 HH TYR 48 -8.379 -7.463 -15.180 401 H GLU 49 H GLU 49 -13.633 -12.992 -12.314 402 HA GLU 49 HA GLU 49 -14.395 -14.849 -10.203 403 1HB GLU 49 2HB GLU 49 -16.166 -15.421 -11.901 404 2HB GLU 49 3HB GLU 49 -16.203 -13.753 -11.312 405 1HG GLU 49 2HG GLU 49 -14.789 -14.378 -13.916 406 2HG GLU 49 3HG GLU 49 -16.549 -14.325 -13.851 407 H ASN 50 H ASN 50 -11.953 -15.403 -10.773 408 HA ASN 50 HA ASN 50 -11.479 -17.402 -12.809 409 1HB ASN 50 2HB ASN 50 -10.100 -16.881 -10.137 410 2HB ASN 50 3HB ASN 50 -9.499 -18.001 -11.367 411 1HD2 ASN 50 2HD2 ASN 50 -8.527 -15.244 -10.209 412 2HD2 ASN 50 1HD2 ASN 50 -8.074 -14.414 -11.690 413 H GLU 51 H GLU 51 -10.984 -19.678 -12.296 414 HA GLU 51 HA GLU 51 -11.518 -21.757 -11.553 415 1HB GLU 51 2HB GLU 51 -11.904 -20.674 -9.199 416 2HB GLU 51 3HB GLU 51 -13.617 -20.771 -9.608 417 1HG GLU 51 2HG GLU 51 -13.147 -23.305 -10.081 418 2HG GLU 51 3HG GLU 51 -11.566 -23.016 -9.353 419 H GLY 52 H GLY 52 -14.577 -22.157 -10.928 420 1HA GLY 52 2HA GLY 52 -15.316 -22.574 -13.655 421 2HA GLY 52 3HA GLY 52 -16.367 -22.745 -12.245 422 H PHE 53 H PHE 53 -16.918 -20.552 -11.181 423 HA PHE 53 HA PHE 53 -17.183 -18.235 -12.895 424 1HB PHE 53 2HB PHE 53 -19.631 -19.790 -11.913 425 2HB PHE 53 3HB PHE 53 -19.684 -18.140 -12.509 426 HD1 PHE 53 1HD PHE 53 -19.950 -21.586 -13.473 427 HD2 PHE 53 2HD PHE 53 -18.796 -17.685 -14.919 428 HE1 PHE 53 1HE PHE 53 -20.290 -22.343 -15.808 429 HE2 PHE 53 2HE PHE 53 -19.136 -18.453 -17.249 430 HZ PHE 53 HZ PHE 53 -19.887 -20.780 -17.700 431 H ARG 54 H ARG 54 -18.031 -16.433 -11.540 432 HA ARG 54 HA ARG 54 -18.693 -16.669 -8.835 433 1HB ARG 54 2HB ARG 54 -15.875 -16.823 -9.122 434 2HB ARG 54 3HB ARG 54 -16.167 -15.104 -8.901 435 1HG ARG 54 2HG ARG 54 -16.074 -15.605 -6.704 436 2HG ARG 54 3HG ARG 54 -17.772 -16.037 -6.919 437 1HD ARG 54 2HD ARG 54 -16.852 -18.407 -7.576 438 2HD ARG 54 3HD ARG 54 -15.323 -17.850 -6.882 439 HE ARG 54 HE ARG 54 -17.550 -17.455 -5.071 440 1HH1 ARG 54 1HH2 ARG 54 -15.407 -19.957 -6.395 441 2HH1 ARG 54 2HH2 ARG 54 -15.776 -21.127 -5.173 442 1HH2 ARG 54 1HH1 ARG 54 -18.120 -19.033 -3.496 443 2HH2 ARG 54 2HH1 ARG 54 -17.354 -20.594 -3.502 444 H GLU 55 H GLU 55 -18.321 -14.166 -7.954 445 HA GLU 55 HA GLU 55 -18.977 -12.300 -10.183 446 1HB GLU 55 2HB GLU 55 -20.925 -13.175 -8.727 447 2HB GLU 55 3HB GLU 55 -20.221 -12.243 -7.405 448 1HG GLU 55 2HG GLU 55 -21.970 -10.936 -8.454 449 2HG GLU 55 3HG GLU 55 -20.426 -10.168 -8.833 450 H ILE 56 H ILE 56 -16.526 -12.287 -9.852 451 HA ILE 56 HA ILE 56 -14.622 -11.184 -9.367 452 HB ILE 56 HB ILE 56 -16.520 -9.120 -8.198 453 1HG1 ILE 56 2HG1 ILE 56 -15.685 -7.784 -10.130 454 2HG1 ILE 56 3HG1 ILE 56 -14.839 -9.208 -10.742 455 1HG2 ILE 56 1HG2 ILE 56 -14.447 -8.885 -6.959 456 2HG2 ILE 56 2HG2 ILE 56 -13.504 -8.946 -8.468 457 3HG2 ILE 56 3HG2 ILE 56 -14.589 -7.584 -8.133 458 1HD1 ILE 56 1HD1 ILE 56 -16.967 -10.309 -11.202 459 2HD1 ILE 56 2HD1 ILE 56 -17.857 -9.066 -10.284 460 3HD1 ILE 56 3HD1 ILE 56 -17.065 -8.662 -11.817 461 H LYS 57 H LYS 57 -13.011 -11.429 -7.754 462 HA LYS 57 HA LYS 57 -13.951 -12.721 -5.274 463 1HB LYS 57 2HB LYS 57 -11.644 -13.041 -6.889 464 2HB LYS 57 3HB LYS 57 -11.102 -12.260 -5.394 465 1HG LYS 57 2HG LYS 57 -10.842 -14.500 -5.015 466 2HG LYS 57 3HG LYS 57 -12.252 -14.021 -4.060 467 1HD LYS 57 2HD LYS 57 -13.764 -14.995 -5.748 468 2HD LYS 57 3HD LYS 57 -12.406 -15.340 -6.827 469 1HE LYS 57 2HE LYS 57 -12.778 -16.551 -4.040 470 2HE LYS 57 3HE LYS 57 -13.206 -17.348 -5.561 471 1HZ LYS 57 1HZ LYS 57 -10.908 -17.204 -6.217 472 2HZ LYS 57 2HZ LYS 57 -10.505 -16.521 -4.773 473 3HZ LYS 57 3HZ LYS 57 -11.086 -18.059 -4.821 474 H GLY 58 H GLY 58 -11.902 -9.894 -6.234 475 1HA GLY 58 2HA GLY 58 -12.812 -8.102 -4.267 476 2HA GLY 58 3HA GLY 58 -11.450 -9.023 -3.599 477 H TYR 59 H TYR 59 -11.100 -6.328 -3.939 478 HA TYR 59 HA TYR 59 -9.444 -5.957 -6.369 479 1HB TYR 59 2HB TYR 59 -10.266 -4.146 -4.049 480 2HB TYR 59 3HB TYR 59 -8.885 -3.771 -5.064 481 HD1 TYR 59 1HD TYR 59 -9.136 -3.857 -7.522 482 HD2 TYR 59 2HD TYR 59 -12.403 -3.261 -4.820 483 HE1 TYR 59 1HE TYR 59 -10.354 -2.562 -9.302 484 HE2 TYR 59 2HE TYR 59 -13.635 -1.988 -6.565 485 HH TYR 59 HH TYR 59 -12.257 -1.359 -9.802 486 H GLU 60 H GLU 60 -7.106 -5.297 -5.975 487 HA GLU 60 HA GLU 60 -6.017 -6.085 -3.421 488 1HB GLU 60 2HB GLU 60 -6.267 -8.172 -5.058 489 2HB GLU 60 3HB GLU 60 -4.921 -7.363 -5.891 490 1HG GLU 60 2HG GLU 60 -3.417 -7.758 -4.068 491 2HG GLU 60 3HG GLU 60 -4.757 -8.212 -3.003 492 H TYR 61 H TYR 61 -3.699 -5.683 -3.392 493 HA TYR 61 HA TYR 61 -2.592 -3.862 -5.451 494 1HB TYR 61 2HB TYR 61 -2.605 -3.353 -2.454 495 2HB TYR 61 3HB TYR 61 -1.618 -2.484 -3.622 496 HD1 TYR 61 1HD TYR 61 -5.015 -2.957 -2.299 497 HD2 TYR 61 2HD TYR 61 -2.632 -0.897 -5.238 498 HE1 TYR 61 1HE TYR 61 -6.894 -1.405 -2.753 499 HE2 TYR 61 2HE TYR 61 -4.456 0.764 -5.552 500 HH TYR 61 HH TYR 61 -7.487 0.634 -3.667 501 H GLN 62 H GLN 62 -0.684 -4.596 -6.018 502 HA GLN 62 HA GLN 62 0.864 -6.437 -4.280 503 1HB GLN 62 2HB GLN 62 0.626 -7.077 -6.681 504 2HB GLN 62 3HB GLN 62 1.216 -5.470 -7.158 505 1HG GLN 62 2HG GLN 62 3.011 -7.047 -7.398 506 2HG GLN 62 3HG GLN 62 3.431 -5.982 -6.059 507 1HE2 GLN 62 2HE2 GLN 62 3.496 -6.942 -3.820 508 2HE2 GLN 62 1HE2 GLN 62 3.107 -8.650 -3.632 509 H LEU 63 H LEU 63 2.150 -5.382 -2.883 510 HA LEU 63 HA LEU 63 3.742 -3.164 -3.980 511 1HB LEU 63 2HB LEU 63 3.626 -1.989 -1.775 512 2HB LEU 63 3HB LEU 63 2.173 -1.978 -2.777 513 HG LEU 63 HG LEU 63 1.445 -4.026 -1.238 514 1HD1 LEU 63 1HD1 LEU 63 3.711 -3.834 -0.004 515 2HD1 LEU 63 2HD1 LEU 63 3.108 -2.306 0.665 516 3HD1 LEU 63 3HD1 LEU 63 2.243 -3.824 0.995 517 1HD2 LEU 63 1HD2 LEU 63 0.360 -2.358 0.240 518 2HD2 LEU 63 2HD2 LEU 63 1.341 -1.073 -0.490 519 3HD2 LEU 63 3HD2 LEU 63 0.174 -1.975 -1.484 520 H TYR 64 H TYR 64 5.621 -2.807 -2.431 521 HA TYR 64 HA TYR 64 6.889 -5.440 -1.875 522 1HB TYR 64 2HB TYR 64 7.118 -3.555 -4.176 523 2HB TYR 64 3HB TYR 64 8.641 -4.061 -3.473 524 HD1 TYR 64 1HD TYR 64 9.105 -6.533 -3.120 525 HD2 TYR 64 2HD TYR 64 5.899 -5.127 -5.621 526 HE1 TYR 64 1HE TYR 64 9.085 -8.702 -4.298 527 HE2 TYR 64 2HE TYR 64 5.813 -7.339 -6.746 528 HH TYR 64 HH TYR 64 6.562 -9.572 -6.630 529 H VAL 65 H VAL 65 7.237 -4.934 0.303 530 HA VAL 65 HA VAL 65 8.136 -2.197 0.993 531 HB VAL 65 HB VAL 65 7.424 -4.574 2.758 532 1HG1 VAL 65 1HG1 VAL 65 8.993 -3.046 3.897 533 2HG1 VAL 65 2HG1 VAL 65 8.010 -1.644 3.412 534 3HG1 VAL 65 3HG1 VAL 65 7.364 -2.840 4.547 535 1HG2 VAL 65 1HG2 VAL 65 5.885 -2.041 1.999 536 2HG2 VAL 65 2HG2 VAL 65 5.459 -3.708 1.553 537 3HG2 VAL 65 3HG2 VAL 65 5.388 -3.202 3.245 538 H TYR 66 H TYR 66 10.223 -1.740 1.345 539 HA TYR 66 HA TYR 66 12.296 -3.813 1.108 540 1HB TYR 66 2HB TYR 66 12.491 -1.585 -0.055 541 2HB TYR 66 3HB TYR 66 12.432 -0.800 1.507 542 HD1 TYR 66 1HD TYR 66 14.322 -3.538 -0.145 543 HD2 TYR 66 2HD TYR 66 14.479 -0.047 2.342 544 HE1 TYR 66 1HE TYR 66 16.817 -3.768 0.009 545 HE2 TYR 66 2HE TYR 66 16.953 -0.176 2.385 546 HH TYR 66 HH TYR 66 18.801 -2.860 1.013 547 H ALA 67 H ALA 67 13.227 -4.696 2.913 548 HA ALA 67 HA ALA 67 13.180 -3.211 5.396 549 1HB ALA 67 1HB ALA 67 11.716 -4.548 6.633 550 2HB ALA 67 2HB ALA 67 10.858 -4.506 5.098 551 3HB ALA 67 3HB ALA 67 11.846 -5.916 5.548 552 H SER 68 H SER 68 14.414 -4.257 7.140 553 HA SER 68 HA SER 68 16.495 -4.865 7.681 554 1HB SER 68 2HB SER 68 15.784 -7.359 6.117 555 2HB SER 68 3HB SER 68 17.323 -7.140 6.974 556 HG SER 68 HG SER 68 15.753 -8.105 8.313 557 H ASP 69 H ASP 69 16.574 -6.236 4.467 558 HA ASP 69 HA ASP 69 17.727 -4.242 3.051 559 1HB ASP 69 2HB ASP 69 19.802 -4.628 4.400 560 2HB ASP 69 3HB ASP 69 19.799 -6.321 3.878 561 H LYS 70 H LYS 70 15.622 -5.992 2.756 562 HA LYS 70 HA LYS 70 16.256 -7.332 0.236 563 1HB LYS 70 2HB LYS 70 15.012 -8.802 2.629 564 2HB LYS 70 3HB LYS 70 14.884 -9.326 0.950 565 1HG LYS 70 2HG LYS 70 16.663 -10.594 1.473 566 2HG LYS 70 3HG LYS 70 17.537 -9.140 0.995 567 1HD LYS 70 2HD LYS 70 17.464 -8.513 3.536 568 2HD LYS 70 3HD LYS 70 16.902 -10.167 3.800 569 1HE LYS 70 2HE LYS 70 18.955 -11.029 2.671 570 2HE LYS 70 3HE LYS 70 19.488 -9.362 2.370 571 1HZ LYS 70 1HZ LYS 70 19.593 -9.021 4.718 572 2HZ LYS 70 2HZ LYS 70 19.093 -10.565 5.016 573 3HZ LYS 70 3HZ LYS 70 20.540 -10.293 4.277 574 H LEU 71 H LEU 71 14.127 -7.969 -0.830 575 HA LEU 71 HA LEU 71 12.081 -5.894 -0.213 576 1HB LEU 71 2HB LEU 71 12.782 -7.442 -2.734 577 2HB LEU 71 3HB LEU 71 11.224 -6.675 -2.491 578 HG LEU 71 HG LEU 71 12.610 -5.249 -3.806 579 1HD1 LEU 71 1HD1 LEU 71 11.007 -4.187 -2.276 580 2HD1 LEU 71 2HD1 LEU 71 12.306 -3.959 -1.093 581 3HD1 LEU 71 3HD1 LEU 71 12.418 -3.172 -2.653 582 1HD2 LEU 71 1HD2 LEU 71 14.659 -5.186 -1.582 583 2HD2 LEU 71 2HD2 LEU 71 14.818 -5.972 -3.160 584 3HD2 LEU 71 3HD2 LEU 71 14.661 -4.208 -3.061 585 H PHE 72 H PHE 72 10.567 -6.589 1.108 586 HA PHE 72 HA PHE 72 9.798 -9.467 1.086 587 1HB PHE 72 2HB PHE 72 9.237 -7.145 2.941 588 2HB PHE 72 3HB PHE 72 8.481 -8.709 3.068 589 HD1 PHE 72 1HD PHE 72 11.506 -6.866 3.606 590 HD2 PHE 72 2HD PHE 72 9.896 -10.825 3.431 591 HE1 PHE 72 1HE PHE 72 13.503 -7.730 4.918 592 HE2 PHE 72 2HE PHE 72 11.915 -11.715 4.574 593 HZ PHE 72 HZ PHE 72 13.717 -10.167 5.307 594 H ARG 73 H ARG 73 8.404 -9.905 -0.450 595 HA ARG 73 HA ARG 73 6.887 -7.987 -1.920 596 1HB ARG 73 2HB ARG 73 7.629 -10.212 -2.759 597 2HB ARG 73 3HB ARG 73 6.538 -11.012 -1.614 598 1HG ARG 73 2HG ARG 73 4.587 -10.005 -2.707 599 2HG ARG 73 3HG ARG 73 5.651 -9.055 -3.762 600 1HD ARG 73 2HD ARG 73 6.613 -11.250 -4.605 601 2HD ARG 73 3HD ARG 73 5.336 -12.090 -3.699 602 HE ARG 73 HE ARG 73 3.926 -10.252 -5.161 603 1HH1 ARG 73 1HH2 ARG 73 6.232 -12.778 -6.071 604 2HH1 ARG 73 2HH2 ARG 73 5.590 -12.949 -7.682 605 1HH2 ARG 73 1HH1 ARG 73 3.122 -10.429 -7.142 606 2HH2 ARG 73 2HH1 ARG 73 3.724 -11.578 -8.329 607 H ALA 74 H ALA 74 4.623 -7.359 -1.575 608 HA ALA 74 HA ALA 74 3.267 -8.725 0.659 609 1HB ALA 74 1HB ALA 74 4.509 -7.121 1.898 610 2HB ALA 74 2HB ALA 74 4.195 -5.852 0.719 611 3HB ALA 74 3HB ALA 74 2.866 -6.465 1.721 612 H ASP 75 H ASP 75 1.239 -9.123 0.046 613 HA ASP 75 HA ASP 75 -0.002 -7.373 -2.014 614 1HB ASP 75 2HB ASP 75 -0.286 -10.340 -1.448 615 2HB ASP 75 3HB ASP 75 -1.416 -9.413 -2.448 616 H ILE 76 H ILE 76 -1.876 -6.389 -1.470 617 HA ILE 76 HA ILE 76 -3.270 -7.174 1.074 618 HB ILE 76 HB ILE 76 -2.524 -4.501 -0.128 619 1HG1 ILE 76 2HG1 ILE 76 -1.075 -5.279 1.627 620 2HG1 ILE 76 3HG1 ILE 76 -2.017 -3.901 2.208 621 1HG2 ILE 76 1HG2 ILE 76 -4.723 -3.968 -0.025 622 2HG2 ILE 76 2HG2 ILE 76 -5.089 -4.989 1.380 623 3HG2 ILE 76 3HG2 ILE 76 -4.219 -3.460 1.567 624 1HD1 ILE 76 1HD1 ILE 76 -3.632 -5.654 3.239 625 2HD1 ILE 76 2HD1 ILE 76 -2.319 -6.830 2.953 626 3HD1 ILE 76 3HD1 ILE 76 -2.039 -5.436 3.978 627 H SER 77 H SER 77 -5.347 -7.751 0.804 628 HA SER 77 HA SER 77 -6.563 -7.480 -1.883 629 1HB SER 77 2HB SER 77 -6.939 -9.543 0.286 630 2HB SER 77 3HB SER 77 -7.686 -9.565 -1.311 631 HG SER 77 HG SER 77 -5.690 -10.049 -2.217 632 H GLU 78 H GLU 78 -8.860 -6.899 -1.877 633 HA GLU 78 HA GLU 78 -9.886 -5.989 0.735 634 1HB GLU 78 2HB GLU 78 -10.243 -4.595 -1.933 635 2HB GLU 78 3HB GLU 78 -10.883 -4.066 -0.405 636 1HG GLU 78 2HG GLU 78 -9.033 -2.681 -0.613 637 2HG GLU 78 3HG GLU 78 -8.414 -3.974 0.427 638 H ASP 79 H ASP 79 -11.994 -6.127 1.047 639 HA ASP 79 HA ASP 79 -13.473 -8.092 -0.556 640 1HB ASP 79 2HB ASP 79 -13.693 -8.018 1.925 641 2HB ASP 79 3HB ASP 79 -14.489 -6.440 1.797 642 H TYR 80 H TYR 80 -13.895 -7.263 -2.516 643 HA TYR 80 HA TYR 80 -14.607 -4.776 -3.447 644 1HB TYR 80 2HB TYR 80 -14.233 -6.537 -4.980 645 2HB TYR 80 3HB TYR 80 -15.456 -7.572 -4.242 646 HD1 TYR 80 1HD TYR 80 -17.326 -7.931 -5.593 647 HD2 TYR 80 2HD TYR 80 -15.334 -4.102 -5.756 648 HE1 TYR 80 1HE TYR 80 -18.994 -7.133 -7.222 649 HE2 TYR 80 2HE TYR 80 -17.031 -3.301 -7.378 650 HH TYR 80 HH TYR 80 -19.728 -5.358 -8.497 651 H LYS 81 H LYS 81 -16.749 -7.040 -1.722 652 HA LYS 81 HA LYS 81 -19.247 -5.983 -1.999 653 1HB LYS 81 2HB LYS 81 -18.471 -7.859 -0.435 654 2HB LYS 81 3HB LYS 81 -17.953 -6.581 0.693 655 1HG LYS 81 2HG LYS 81 -20.060 -7.375 1.423 656 2HG LYS 81 3HG LYS 81 -20.340 -5.770 0.775 657 1HD LYS 81 2HD LYS 81 -21.770 -6.544 -0.791 658 2HD LYS 81 3HD LYS 81 -20.611 -7.741 -1.381 659 1HE LYS 81 2HE LYS 81 -22.402 -8.138 1.059 660 2HE LYS 81 3HE LYS 81 -22.706 -8.789 -0.562 661 1HZ LYS 81 1HZ LYS 81 -20.650 -9.991 -0.417 662 2HZ LYS 81 2HZ LYS 81 -20.362 -9.412 1.098 663 3HZ LYS 81 3HZ LYS 81 -21.653 -10.401 0.828 664 H THR 82 H THR 82 -16.544 -4.481 -0.141 665 HA THR 82 HA THR 82 -17.982 -1.907 -0.364 666 HB THR 82 HB THR 82 -17.364 -3.319 2.258 667 HG1 THR 82 1HG THR 82 -19.520 -2.985 0.882 668 1HG2 THR 82 1HG2 THR 82 -16.379 -1.162 2.557 669 2HG2 THR 82 2HG2 THR 82 -17.750 -0.377 1.715 670 3HG2 THR 82 3HG2 THR 82 -17.975 -1.156 3.320 671 H ARG 83 H ARG 83 -15.282 -3.188 1.488 672 HA ARG 83 HA ARG 83 -13.008 -2.433 0.190 673 1HB ARG 83 2HB ARG 83 -14.387 -0.068 1.304 674 2HB ARG 83 3HB ARG 83 -12.677 -0.159 1.699 675 1HG ARG 83 2HG ARG 83 -11.935 0.041 -0.442 676 2HG ARG 83 3HG ARG 83 -13.365 -0.660 -1.165 677 1HD ARG 83 2HD ARG 83 -14.655 1.434 -0.452 678 2HD ARG 83 3HD ARG 83 -13.112 2.125 0.054 679 HE ARG 83 HE ARG 83 -12.609 2.551 -2.148 680 1HH1 ARG 83 1HH2 ARG 83 -15.156 0.047 -2.058 681 2HH1 ARG 83 2HH2 ARG 83 -15.484 0.159 -3.761 682 1HH2 ARG 83 1HH1 ARG 83 -13.008 2.622 -4.384 683 2HH2 ARG 83 2HH1 ARG 83 -14.222 1.605 -5.112 684 H GLY 84 H GLY 84 -13.634 -4.497 1.607 685 1HA GLY 84 2HA GLY 84 -12.768 -4.322 4.394 686 2HA GLY 84 3HA GLY 84 -12.864 -5.802 3.409 687 H ARG 85 H ARG 85 -10.599 -5.577 4.936 688 HA ARG 85 HA ARG 85 -8.535 -5.091 2.872 689 1HB ARG 85 2HB ARG 85 -9.160 -3.025 4.454 690 2HB ARG 85 3HB ARG 85 -8.138 -3.877 5.611 691 1HG ARG 85 2HG ARG 85 -6.316 -3.870 3.876 692 2HG ARG 85 3HG ARG 85 -7.411 -3.045 2.758 693 1HD ARG 85 2HD ARG 85 -6.801 -1.869 5.504 694 2HD ARG 85 3HD ARG 85 -5.739 -1.556 4.154 695 HE ARG 85 HE ARG 85 -8.428 -0.521 4.670 696 1HH1 ARG 85 1HH2 ARG 85 -6.056 -1.188 2.163 697 2HH1 ARG 85 2HH2 ARG 85 -6.495 0.185 1.178 698 1HH2 ARG 85 1HH1 ARG 85 -9.119 1.208 3.301 699 2HH2 ARG 85 2HH1 ARG 85 -8.339 1.474 1.760 700 H LYS 86 H LYS 86 -7.788 -7.135 2.761 701 HA LYS 86 HA LYS 86 -7.340 -8.660 5.261 702 1HB LYS 86 2HB LYS 86 -7.898 -9.610 2.449 703 2HB LYS 86 3HB LYS 86 -7.426 -10.673 3.778 704 1HG LYS 86 2HG LYS 86 -9.941 -8.929 3.754 705 2HG LYS 86 3HG LYS 86 -9.849 -10.630 3.321 706 1HD LYS 86 2HD LYS 86 -10.640 -10.720 5.454 707 2HD LYS 86 3HD LYS 86 -8.936 -11.105 5.678 708 1HE LYS 86 2HE LYS 86 -8.540 -9.068 6.873 709 2HE LYS 86 3HE LYS 86 -9.828 -8.216 6.021 710 1HZ LYS 86 1HZ LYS 86 -11.398 -9.529 7.278 711 2HZ LYS 86 2HZ LYS 86 -10.172 -10.323 8.042 712 3HZ LYS 86 3HZ LYS 86 -10.380 -8.705 8.281 713 H LEU 87 H LEU 87 -5.582 -9.712 5.647 714 HA LEU 87 HA LEU 87 -3.216 -8.301 4.679 715 1HB LEU 87 2HB LEU 87 -4.171 -8.492 7.033 716 2HB LEU 87 3HB LEU 87 -3.589 -10.148 7.086 717 HG LEU 87 HG LEU 87 -1.799 -7.753 6.479 718 1HD1 LEU 87 1HD1 LEU 87 -3.038 -7.433 8.613 719 2HD1 LEU 87 2HD1 LEU 87 -2.333 -8.948 9.219 720 3HD1 LEU 87 3HD1 LEU 87 -1.300 -7.555 8.807 721 1HD2 LEU 87 1HD2 LEU 87 -1.233 -10.556 7.588 722 2HD2 LEU 87 2HD2 LEU 87 -0.809 -9.985 5.963 723 3HD2 LEU 87 3HD2 LEU 87 -0.027 -9.279 7.379 724 H LEU 88 H LEU 88 -2.631 -9.340 2.779 725 HA LEU 88 HA LEU 88 -1.702 -12.175 2.957 726 1HB LEU 88 2HB LEU 88 -2.911 -10.472 0.809 727 2HB LEU 88 3HB LEU 88 -1.603 -11.528 0.300 728 HG LEU 88 HG LEU 88 -3.875 -12.441 -0.017 729 1HD1 LEU 88 1HD1 LEU 88 -1.897 -13.900 0.074 730 2HD1 LEU 88 2HD1 LEU 88 -2.098 -14.099 1.827 731 3HD1 LEU 88 3HD1 LEU 88 -3.337 -14.708 0.717 732 1HD2 LEU 88 1HD2 LEU 88 -3.985 -12.832 3.000 733 2HD2 LEU 88 2HD2 LEU 88 -4.903 -11.594 2.106 734 3HD2 LEU 88 3HD2 LEU 88 -5.184 -13.317 1.799 735 H ARG 89 H ARG 89 -0.588 -9.278 3.679 736 HA ARG 89 HA ARG 89 1.653 -8.999 1.978 737 1HB ARG 89 2HB ARG 89 2.403 -7.324 3.736 738 2HB ARG 89 3HB ARG 89 0.905 -6.995 2.854 739 1HG ARG 89 2HG ARG 89 -0.426 -7.618 4.750 740 2HG ARG 89 3HG ARG 89 1.004 -8.261 5.605 741 1HD ARG 89 2HD ARG 89 0.358 -6.061 6.468 742 2HD ARG 89 3HD ARG 89 1.963 -6.036 5.761 743 HE ARG 89 HE ARG 89 -0.495 -4.681 4.806 744 1HH1 ARG 89 1HH2 ARG 89 2.870 -5.429 4.032 745 2HH1 ARG 89 2HH2 ARG 89 3.010 -4.139 2.875 746 1HH2 ARG 89 1HH1 ARG 89 -0.298 -2.983 3.391 747 2HH2 ARG 89 2HH1 ARG 89 1.166 -2.731 2.494 748 H PHE 90 H PHE 90 3.864 -8.668 2.879 749 HA PHE 90 HA PHE 90 5.800 -9.592 3.409 750 1HB PHE 90 2HB PHE 90 4.187 -10.048 5.868 751 2HB PHE 90 3HB PHE 90 5.781 -10.809 5.730 752 HD1 PHE 90 1HD PHE 90 4.004 -7.636 6.075 753 HD2 PHE 90 2HD PHE 90 7.855 -9.461 5.511 754 HE1 PHE 90 1HE PHE 90 5.058 -5.390 6.002 755 HE2 PHE 90 2HE PHE 90 8.927 -7.227 5.534 756 HZ PHE 90 HZ PHE 90 7.527 -5.176 5.704 757 H ASN 91 H ASN 91 5.816 -10.854 1.650 758 HA ASN 91 HA ASN 91 5.495 -13.770 1.969 759 1HB ASN 91 2HB ASN 91 3.479 -12.332 0.933 760 2HB ASN 91 3HB ASN 91 4.515 -12.335 -0.502 761 1HD2 ASN 91 2HD2 ASN 91 1.895 -13.816 0.708 762 2HD2 ASN 91 1HD2 ASN 91 2.145 -15.453 0.128 763 H GLY 92 H GLY 92 6.377 -14.695 -0.303 764 1HA GLY 92 2HA GLY 92 8.125 -14.743 -1.863 765 2HA GLY 92 3HA GLY 92 8.777 -13.224 -1.263 766 HA PRO 93 HA PRO 93 10.118 -12.359 0.454 767 1HB PRO 93 2HB PRO 93 12.754 -12.258 1.052 768 2HB PRO 93 3HB PRO 93 11.531 -12.688 2.283 769 1HG PRO 93 2HG PRO 93 13.195 -14.609 0.619 770 2HG PRO 93 3HG PRO 93 13.036 -14.577 2.402 771 1HD PRO 93 2HD PRO 93 11.495 -16.211 0.857 772 2HD PRO 93 3HD PRO 93 10.797 -15.402 2.286 773 H VAL 94 H VAL 94 11.609 -10.928 -0.927 774 HA VAL 94 HA VAL 94 12.482 -12.365 -3.388 775 HB VAL 94 HB VAL 94 11.076 -9.713 -3.099 776 1HG1 VAL 94 1HG1 VAL 94 12.851 -9.410 -4.752 777 2HG1 VAL 94 2HG1 VAL 94 12.426 -10.950 -5.536 778 3HG1 VAL 94 3HG1 VAL 94 11.296 -9.578 -5.572 779 1HG2 VAL 94 1HG2 VAL 94 10.455 -12.349 -4.525 780 2HG2 VAL 94 2HG2 VAL 94 9.608 -11.695 -3.110 781 3HG2 VAL 94 3HG2 VAL 94 9.486 -10.881 -4.674 782 HA PRO 95 HA PRO 95 16.311 -10.386 -1.911 783 1HB PRO 95 2HB PRO 95 18.087 -11.738 -3.492 784 2HB PRO 95 3HB PRO 95 17.347 -12.474 -2.040 785 1HG PRO 95 2HG PRO 95 16.480 -12.782 -4.923 786 2HG PRO 95 3HG PRO 95 16.725 -14.073 -3.711 787 1HD PRO 95 2HD PRO 95 14.292 -13.006 -4.309 788 2HD PRO 95 3HD PRO 95 14.666 -13.564 -2.650 789 HA PRO 96 HA PRO 96 16.285 -7.358 -5.121 790 1HB PRO 96 2HB PRO 96 18.847 -6.342 -5.140 791 2HB PRO 96 3HB PRO 96 17.644 -6.027 -3.857 792 1HG PRO 96 2HG PRO 96 19.839 -8.116 -3.860 793 2HG PRO 96 3HG PRO 96 19.440 -6.949 -2.562 794 1HD PRO 96 2HD PRO 96 18.537 -9.503 -2.488 795 2HD PRO 96 3HD PRO 96 17.469 -8.160 -1.979 796 HA PRO 97 HA PRO 97 17.887 -10.101 -8.389 797 1HB PRO 97 2HB PRO 97 16.454 -9.192 -10.525 798 2HB PRO 97 3HB PRO 97 15.724 -10.136 -9.198 799 1HG PRO 97 2HG PRO 97 15.677 -7.139 -9.554 800 2HG PRO 97 3HG PRO 97 14.320 -8.214 -9.153 801 1HD PRO 97 2HD PRO 97 15.732 -6.812 -7.267 802 2HD PRO 97 3HD PRO 97 15.018 -8.407 -6.925 Start of MODEL 13 1 1H MET 1 1H MET 1 -10.355 -1.676 -12.664 2 2H MET 1 2H MET 1 -11.768 -2.229 -13.292 3 3H MET 1 3H MET 1 -11.257 -0.698 -13.652 4 HA MET 1 HA MET 1 -10.921 -2.171 -15.465 5 1HB MET 1 2HB MET 1 -9.339 -0.231 -14.745 6 2HB MET 1 3HB MET 1 -8.177 -1.498 -14.337 7 1HG MET 1 2HG MET 1 -9.518 -1.205 -17.068 8 2HG MET 1 3HG MET 1 -8.020 -0.385 -16.631 9 1HE MET 1 1HE MET 1 -8.476 -2.275 -19.206 10 2HE MET 1 2HE MET 1 -6.996 -1.338 -18.871 11 3HE MET 1 3HE MET 1 -6.889 -3.076 -19.231 12 H GLY 2 H GLY 2 -9.949 -4.110 -16.310 13 1HA GLY 2 2HA GLY 2 -10.184 -6.279 -14.387 14 2HA GLY 2 3HA GLY 2 -9.977 -6.398 -16.142 15 H GLU 3 H GLU 3 -7.687 -5.389 -16.813 16 HA GLU 3 HA GLU 3 -5.607 -7.064 -15.718 17 1HB GLU 3 2HB GLU 3 -5.633 -4.680 -17.627 18 2HB GLU 3 3HB GLU 3 -4.172 -5.574 -17.250 19 1HG GLU 3 2HG GLU 3 -6.625 -6.990 -18.372 20 2HG GLU 3 3HG GLU 3 -5.404 -6.225 -19.395 21 H TRP 4 H TRP 4 -3.515 -5.914 -15.202 22 HA TRP 4 HA TRP 4 -3.863 -4.551 -12.689 23 1HB TRP 4 2HB TRP 4 -1.333 -4.911 -14.357 24 2HB TRP 4 3HB TRP 4 -1.412 -4.363 -12.710 25 HD1 TRP 4 HD TRP 4 -2.561 -7.633 -14.539 26 HE1 TRP 4 1HE TRP 4 -1.875 -9.606 -13.096 27 HE3 TRP 4 3HE TRP 4 -0.617 -5.066 -10.602 28 HZ2 TRP 4 2HZ TRP 4 -0.531 -10.042 -10.542 29 HZ3 TRP 4 3HZ TRP 4 0.313 -6.265 -8.644 30 HH2 TRP 4 HH TRP 4 0.440 -8.756 -8.634 31 H GLU 5 H GLU 5 -2.875 -2.449 -12.178 32 HA GLU 5 HA GLU 5 -2.551 -0.586 -14.401 33 1HB GLU 5 2HB GLU 5 -4.968 -0.563 -14.002 34 2HB GLU 5 3HB GLU 5 -4.709 -0.190 -12.284 35 1HG GLU 5 2HG GLU 5 -5.455 1.759 -13.536 36 2HG GLU 5 3HG GLU 5 -3.830 2.044 -12.941 37 H ILE 6 H ILE 6 -1.808 1.419 -13.726 38 HA ILE 6 HA ILE 6 0.342 1.221 -11.831 39 HB ILE 6 HB ILE 6 0.715 3.611 -12.205 40 1HG1 ILE 6 2HG1 ILE 6 -1.506 3.665 -14.267 41 2HG1 ILE 6 3HG1 ILE 6 -1.815 4.154 -12.599 42 1HG2 ILE 6 1HG2 ILE 6 1.687 1.911 -13.694 43 2HG2 ILE 6 2HG2 ILE 6 0.279 2.024 -14.771 44 3HG2 ILE 6 3HG2 ILE 6 1.366 3.412 -14.568 45 1HD1 ILE 6 1HD1 ILE 6 -0.037 5.848 -12.727 46 2HD1 ILE 6 2HD1 ILE 6 0.262 5.410 -14.425 47 3HD1 ILE 6 3HD1 ILE 6 -1.301 6.093 -13.946 48 H ILE 7 H ILE 7 0.620 2.206 -9.830 49 HA ILE 7 HA ILE 7 -1.848 2.497 -8.282 50 HB ILE 7 HB ILE 7 0.097 1.134 -7.647 51 1HG1 ILE 7 2HG1 ILE 7 -1.659 1.926 -6.071 52 2HG1 ILE 7 3HG1 ILE 7 -0.136 1.378 -5.372 53 1HG2 ILE 7 1HG2 ILE 7 1.891 2.758 -8.340 54 2HG2 ILE 7 2HG2 ILE 7 1.571 3.666 -6.853 55 3HG2 ILE 7 3HG2 ILE 7 2.076 1.992 -6.762 56 1HD1 ILE 7 1HD1 ILE 7 0.519 3.532 -4.716 57 2HD1 ILE 7 2HD1 ILE 7 -0.595 4.340 -5.833 58 3HD1 ILE 7 3HD1 ILE 7 -1.238 3.477 -4.440 59 H ASP 8 H ASP 8 -2.836 4.429 -8.864 60 HA ASP 8 HA ASP 8 -1.230 6.944 -8.693 61 1HB ASP 8 2HB ASP 8 -2.929 7.914 -10.091 62 2HB ASP 8 3HB ASP 8 -2.376 6.418 -10.856 63 H ILE 9 H ILE 9 -1.893 5.680 -6.347 64 HA ILE 9 HA ILE 9 -4.102 7.318 -5.182 65 HB ILE 9 HB ILE 9 -2.786 4.926 -3.876 66 1HG1 ILE 9 2HG1 ILE 9 -3.590 4.080 -6.057 67 2HG1 ILE 9 3HG1 ILE 9 -4.578 3.497 -4.736 68 1HG2 ILE 9 1HG2 ILE 9 -4.154 5.694 -2.249 69 2HG2 ILE 9 2HG2 ILE 9 -5.209 6.599 -3.370 70 3HG2 ILE 9 3HG2 ILE 9 -5.406 4.862 -3.168 71 1HD1 ILE 9 1HD1 ILE 9 -6.241 5.363 -5.198 72 2HD1 ILE 9 2HD1 ILE 9 -5.272 5.795 -6.611 73 3HD1 ILE 9 3HD1 ILE 9 -6.040 4.199 -6.520 74 H GLY 10 H GLY 10 -3.449 7.340 -2.562 75 1HA GLY 10 2HA GLY 10 -0.827 8.580 -2.154 76 2HA GLY 10 3HA GLY 10 -2.183 9.714 -2.165 77 HA PRO 11 HA PRO 11 -3.085 8.680 2.045 78 1HB PRO 11 2HB PRO 11 -5.834 8.272 2.130 79 2HB PRO 11 3HB PRO 11 -5.033 9.865 2.067 80 1HG PRO 11 2HG PRO 11 -6.210 8.300 -0.236 81 2HG PRO 11 3HG PRO 11 -6.383 10.038 0.124 82 1HD PRO 11 2HD PRO 11 -4.596 9.167 -1.710 83 2HD PRO 11 3HD PRO 11 -4.169 10.506 -0.610 84 H PHE 12 H PHE 12 -5.009 6.568 -0.173 85 HA PHE 12 HA PHE 12 -5.133 4.380 1.528 86 1HB PHE 12 2HB PHE 12 -6.128 4.927 -0.913 87 2HB PHE 12 3HB PHE 12 -4.891 3.737 -1.354 88 HD1 PHE 12 1HD PHE 12 -8.285 4.097 -0.590 89 HD2 PHE 12 2HD PHE 12 -4.889 1.554 0.153 90 HE1 PHE 12 1HE PHE 12 -9.788 2.145 -0.359 91 HE2 PHE 12 2HE PHE 12 -6.403 -0.395 0.409 92 HZ PHE 12 HZ PHE 12 -8.856 -0.094 0.159 93 H THR 13 H THR 13 -2.500 5.145 -0.833 94 HA THR 13 HA THR 13 -1.142 2.631 -0.406 95 HB THR 13 HB THR 13 -0.737 3.689 -2.415 96 HG1 THR 13 1HG THR 13 1.375 3.237 -0.731 97 1HG2 THR 13 1HG2 THR 13 -1.011 6.035 -1.907 98 2HG2 THR 13 2HG2 THR 13 0.515 6.062 -0.992 99 3HG2 THR 13 3HG2 THR 13 0.505 5.767 -2.747 100 H GLN 14 H GLN 14 -0.817 5.914 1.095 101 HA GLN 14 HA GLN 14 1.388 5.096 2.773 102 1HB GLN 14 2HB GLN 14 -0.647 7.318 2.695 103 2HB GLN 14 3HB GLN 14 0.161 7.005 4.207 104 1HG GLN 14 2HG GLN 14 1.915 8.207 3.542 105 2HG GLN 14 3HG GLN 14 2.265 7.037 2.278 106 1HE2 GLN 14 2HE2 GLN 14 2.213 7.816 0.182 107 2HE2 GLN 14 1HE2 GLN 14 1.443 9.329 -0.269 108 H ASN 15 H ASN 15 -2.131 5.149 3.283 109 HA ASN 15 HA ASN 15 -2.084 4.144 5.907 110 1HB ASN 15 2HB ASN 15 -4.017 5.145 4.401 111 2HB ASN 15 3HB ASN 15 -4.361 3.461 4.030 112 1HD2 ASN 15 2HD2 ASN 15 -5.892 2.566 5.462 113 2HD2 ASN 15 1HD2 ASN 15 -6.106 3.124 7.114 114 H LEU 16 H LEU 16 -2.030 2.511 2.811 115 HA LEU 16 HA LEU 16 -2.256 -0.214 3.779 116 1HB LEU 16 2HB LEU 16 -1.211 1.099 1.256 117 2HB LEU 16 3HB LEU 16 -0.785 -0.575 1.550 118 HG LEU 16 HG LEU 16 -3.697 0.289 1.602 119 1HD1 LEU 16 1HD1 LEU 16 -2.795 0.909 -0.607 120 2HD1 LEU 16 2HD1 LEU 16 -2.054 -0.686 -0.757 121 3HD1 LEU 16 3HD1 LEU 16 -3.819 -0.535 -0.718 122 1HD2 LEU 16 1HD2 LEU 16 -2.458 -2.389 0.967 123 2HD2 LEU 16 2HD2 LEU 16 -2.899 -1.932 2.625 124 3HD2 LEU 16 3HD2 LEU 16 -4.140 -1.943 1.371 125 H ALA 17 H ALA 17 0.626 1.812 2.992 126 HA ALA 17 HA ALA 17 2.574 -0.089 3.801 127 1HB ALA 17 1HB ALA 17 3.095 1.993 2.620 128 2HB ALA 17 2HB ALA 17 2.656 2.944 4.055 129 3HB ALA 17 3HB ALA 17 4.041 1.833 4.116 130 H LYS 18 H LYS 18 0.849 2.430 5.690 131 HA LYS 18 HA LYS 18 1.950 1.695 8.161 132 1HB LYS 18 2HB LYS 18 -0.120 3.499 7.249 133 2HB LYS 18 3HB LYS 18 -0.747 2.610 8.629 134 1HG LYS 18 2HG LYS 18 1.868 4.178 8.568 135 2HG LYS 18 3HG LYS 18 0.344 4.675 9.314 136 1HD LYS 18 2HD LYS 18 0.513 2.505 10.742 137 2HD LYS 18 3HD LYS 18 2.175 2.376 10.168 138 1HE LYS 18 2HE LYS 18 2.326 3.476 12.250 139 2HE LYS 18 3HE LYS 18 2.588 4.735 11.032 140 1HZ LYS 18 1HZ LYS 18 0.281 5.363 11.326 141 2HZ LYS 18 2HZ LYS 18 0.071 4.177 12.452 142 3HZ LYS 18 3HZ LYS 18 1.094 5.431 12.757 143 H PHE 19 H PHE 19 -1.076 0.502 6.638 144 HA PHE 19 HA PHE 19 -2.024 -1.135 8.674 145 1HB PHE 19 2HB PHE 19 -3.147 -0.712 6.481 146 2HB PHE 19 3HB PHE 19 -2.069 -1.857 5.716 147 HD1 PHE 19 1HD PHE 19 -2.022 -4.330 6.848 148 HD2 PHE 19 2HD PHE 19 -5.281 -1.507 7.136 149 HE1 PHE 19 1HE PHE 19 -3.577 -6.167 7.310 150 HE2 PHE 19 2HE PHE 19 -6.851 -3.387 7.480 151 HZ PHE 19 HZ PHE 19 -6.028 -5.752 7.474 152 H ALA 20 H ALA 20 0.326 -1.997 6.092 153 HA ALA 20 HA ALA 20 0.808 -4.654 6.898 154 1HB ALA 20 1HB ALA 20 1.930 -3.902 4.875 155 2HB ALA 20 2HB ALA 20 2.869 -2.693 5.793 156 3HB ALA 20 3HB ALA 20 3.148 -4.427 6.038 157 H VAL 21 H VAL 21 2.506 -1.688 8.117 158 HA VAL 21 HA VAL 21 4.074 -3.264 9.951 159 HB VAL 21 HB VAL 21 3.431 -0.298 10.035 160 1HG1 VAL 21 1HG1 VAL 21 4.434 -1.141 12.133 161 2HG1 VAL 21 2HG1 VAL 21 5.705 -1.979 11.227 162 3HG1 VAL 21 3HG1 VAL 21 5.651 -0.216 11.253 163 1HG2 VAL 21 1HG2 VAL 21 5.136 -1.819 8.168 164 2HG2 VAL 21 2HG2 VAL 21 4.497 -0.182 8.056 165 3HG2 VAL 21 3HG2 VAL 21 5.976 -0.487 8.970 166 H ASP 22 H ASP 22 1.381 -1.019 10.523 167 HA ASP 22 HA ASP 22 1.020 -1.318 13.219 168 1HB ASP 22 2HB ASP 22 -0.113 0.372 11.886 169 2HB ASP 22 3HB ASP 22 -1.065 -0.862 11.046 170 H GLU 23 H GLU 23 -0.819 -3.253 10.709 171 HA GLU 23 HA GLU 23 -2.304 -4.568 12.749 172 1HB GLU 23 2HB GLU 23 -2.537 -4.169 10.030 173 2HB GLU 23 3HB GLU 23 -2.079 -5.873 10.068 174 1HG GLU 23 2HG GLU 23 -4.337 -4.579 11.673 175 2HG GLU 23 3HG GLU 23 -4.542 -5.268 10.063 176 H GLU 24 H GLU 24 0.555 -5.465 10.765 177 HA GLU 24 HA GLU 24 0.810 -8.092 11.838 178 1HB GLU 24 2HB GLU 24 1.946 -7.016 9.762 179 2HB GLU 24 3HB GLU 24 3.142 -6.387 10.901 180 1HG GLU 24 2HG GLU 24 4.005 -8.436 10.079 181 2HG GLU 24 3HG GLU 24 3.346 -8.876 11.675 182 H ASN 25 H ASN 25 1.894 -4.904 12.972 183 HA ASN 25 HA ASN 25 3.476 -5.809 15.158 184 1HB ASN 25 2HB ASN 25 2.886 -3.293 14.097 185 2HB ASN 25 3HB ASN 25 2.003 -3.256 15.606 186 1HD2 ASN 25 2HD2 ASN 25 5.185 -3.966 14.138 187 2HD2 ASN 25 1HD2 ASN 25 6.127 -3.487 15.542 188 H LYS 26 H LYS 26 0.007 -4.804 14.999 189 HA LYS 26 HA LYS 26 -0.385 -5.256 17.782 190 1HB LYS 26 2HB LYS 26 -2.509 -4.556 17.540 191 2HB LYS 26 3HB LYS 26 -1.762 -3.832 16.129 192 1HG LYS 26 2HG LYS 26 -3.838 -4.601 15.429 193 2HG LYS 26 3HG LYS 26 -2.717 -5.780 14.762 194 1HD LYS 26 2HD LYS 26 -3.535 -7.496 16.095 195 2HD LYS 26 3HD LYS 26 -3.850 -6.427 17.475 196 1HE LYS 26 2HE LYS 26 -5.860 -5.545 16.364 197 2HE LYS 26 3HE LYS 26 -5.535 -6.548 14.935 198 1HZ LYS 26 1HZ LYS 26 -5.790 -8.478 16.295 199 2HZ LYS 26 2HZ LYS 26 -6.055 -7.562 17.640 200 3HZ LYS 26 3HZ LYS 26 -7.138 -7.536 16.398 201 H ILE 27 H ILE 27 -0.757 -7.394 14.963 202 HA ILE 27 HA ILE 27 -1.714 -9.680 16.454 203 HB ILE 27 HB ILE 27 -0.043 -9.489 13.912 204 1HG1 ILE 27 2HG1 ILE 27 -2.967 -10.281 14.117 205 2HG1 ILE 27 3HG1 ILE 27 -2.519 -8.586 13.993 206 1HG2 ILE 27 1HG2 ILE 27 0.265 -11.691 14.986 207 2HG2 ILE 27 2HG2 ILE 27 -1.484 -11.869 15.185 208 3HG2 ILE 27 3HG2 ILE 27 -0.761 -11.879 13.569 209 1HD1 ILE 27 1HD1 ILE 27 -1.638 -10.671 11.952 210 2HD1 ILE 27 2HD1 ILE 27 -3.052 -9.622 11.795 211 3HD1 ILE 27 3HD1 ILE 27 -1.429 -8.914 11.866 212 H GLY 28 H GLY 28 1.537 -8.417 15.620 213 1HA GLY 28 2HA GLY 28 3.557 -8.672 16.653 214 2HA GLY 28 3HA GLY 28 2.783 -9.551 17.983 215 H GLN 29 H GLN 29 2.553 -10.325 14.511 216 HA GLN 29 HA GLN 29 3.417 -13.065 15.057 217 1HB GLN 29 2HB GLN 29 1.687 -11.906 13.175 218 2HB GLN 29 3HB GLN 29 3.119 -12.236 12.225 219 1HG GLN 29 2HG GLN 29 1.921 -14.185 11.982 220 2HG GLN 29 3HG GLN 29 3.012 -14.642 13.291 221 1HE2 GLN 29 2HE2 GLN 29 1.887 -14.000 15.650 222 2HE2 GLN 29 1HE2 GLN 29 0.206 -14.464 15.725 223 H TYR 30 H TYR 30 4.663 -10.304 13.223 224 HA TYR 30 HA TYR 30 7.395 -11.277 13.472 225 1HB TYR 30 2HB TYR 30 7.139 -10.450 10.734 226 2HB TYR 30 3HB TYR 30 7.782 -11.940 11.395 227 HD1 TYR 30 1HD TYR 30 5.098 -10.435 9.499 228 HD2 TYR 30 2HD TYR 30 6.254 -13.942 11.717 229 HE1 TYR 30 1HE TYR 30 3.309 -11.738 8.381 230 HE2 TYR 30 2HE TYR 30 4.374 -15.200 10.699 231 HH TYR 30 HH TYR 30 2.083 -13.688 8.412 232 H GLY 31 H GLY 31 5.350 -8.989 11.692 233 1HA GLY 31 2HA GLY 31 4.998 -6.688 12.205 234 2HA GLY 31 3HA GLY 31 6.407 -6.691 13.279 235 H ARG 32 H ARG 32 6.171 -4.693 11.225 236 HA ARG 32 HA ARG 32 7.612 -5.703 8.924 237 1HB ARG 32 2HB ARG 32 5.734 -4.094 8.810 238 2HB ARG 32 3HB ARG 32 6.812 -2.836 9.459 239 1HG ARG 32 2HG ARG 32 7.856 -4.413 7.163 240 2HG ARG 32 3HG ARG 32 6.377 -3.532 6.805 241 1HD ARG 32 2HD ARG 32 8.449 -1.867 8.174 242 2HD ARG 32 3HD ARG 32 8.947 -2.538 6.611 243 HE ARG 32 HE ARG 32 6.365 -1.412 6.322 244 1HH1 ARG 32 1HH2 ARG 32 9.669 -0.398 6.983 245 2HH1 ARG 32 2HH2 ARG 32 9.563 1.094 6.075 246 1HH2 ARG 32 1HH1 ARG 32 6.171 0.541 5.168 247 2HH2 ARG 32 2HH1 ARG 32 7.508 1.654 5.057 248 H LEU 33 H LEU 33 9.155 -6.254 10.947 249 HA LEU 33 HA LEU 33 11.302 -6.067 11.750 250 1HB LEU 33 2HB LEU 33 11.540 -4.997 8.943 251 2HB LEU 33 3HB LEU 33 12.863 -5.701 9.891 252 HG LEU 33 HG LEU 33 10.438 -7.472 9.643 253 1HD1 LEU 33 1HD1 LEU 33 10.336 -6.474 7.456 254 2HD1 LEU 33 2HD1 LEU 33 12.085 -6.789 7.215 255 3HD1 LEU 33 3HD1 LEU 33 10.927 -8.135 7.342 256 1HD2 LEU 33 1HD2 LEU 33 13.409 -7.849 9.277 257 2HD2 LEU 33 2HD2 LEU 33 12.380 -8.433 10.603 258 3HD2 LEU 33 3HD2 LEU 33 12.213 -9.114 8.965 259 H THR 34 H THR 34 12.645 -3.519 10.107 260 HA THR 34 HA THR 34 11.885 -1.561 12.267 261 HB THR 34 HB THR 34 14.224 -2.292 12.417 262 HG1 THR 34 1HG THR 34 13.764 -0.263 13.121 263 1HG2 THR 34 1HG2 THR 34 14.542 -2.569 9.833 264 2HG2 THR 34 2HG2 THR 34 14.849 -0.806 9.852 265 3HG2 THR 34 3HG2 THR 34 15.872 -1.912 10.813 266 H PHE 35 H PHE 35 11.254 0.535 11.500 267 HA PHE 35 HA PHE 35 10.297 0.908 8.925 268 1HB PHE 35 2HB PHE 35 11.308 2.913 10.944 269 2HB PHE 35 3HB PHE 35 10.544 3.383 9.434 270 HD1 PHE 35 1HD PHE 35 8.278 1.969 8.880 271 HD2 PHE 35 2HD PHE 35 9.772 3.044 12.789 272 HE1 PHE 35 1HE PHE 35 6.017 1.800 9.794 273 HE2 PHE 35 2HE PHE 35 7.460 2.967 13.680 274 HZ PHE 35 HZ PHE 35 5.567 2.357 12.185 275 H ASN 36 H ASN 36 11.866 -0.056 7.607 276 HA ASN 36 HA ASN 36 14.108 1.568 6.640 277 1HB ASN 36 2HB ASN 36 13.758 -0.510 4.817 278 2HB ASN 36 3HB ASN 36 14.814 -0.473 6.198 279 1HD2 ASN 36 2HD2 ASN 36 11.264 -1.221 5.646 280 2HD2 ASN 36 1HD2 ASN 36 11.269 -2.401 6.955 281 H LYS 37 H LYS 37 12.012 0.114 4.112 282 HA LYS 37 HA LYS 37 10.502 2.540 3.721 283 1HB LYS 37 2HB LYS 37 11.733 3.358 1.704 284 2HB LYS 37 3HB LYS 37 12.579 3.565 3.206 285 1HG LYS 37 2HG LYS 37 13.504 1.058 2.219 286 2HG LYS 37 3HG LYS 37 13.382 2.127 0.814 287 1HD LYS 37 2HD LYS 37 14.641 3.888 2.180 288 2HD LYS 37 3HD LYS 37 14.903 2.641 3.414 289 1HE LYS 37 2HE LYS 37 16.130 1.267 1.721 290 2HE LYS 37 3HE LYS 37 15.836 2.523 0.503 291 1HZ LYS 37 1HZ LYS 37 17.082 4.033 1.896 292 2HZ LYS 37 2HZ LYS 37 17.386 2.826 2.978 293 3HZ LYS 37 3HZ LYS 37 17.987 2.731 1.448 294 H VAL 38 H VAL 38 10.007 2.548 1.103 295 HA VAL 38 HA VAL 38 9.233 -0.199 0.319 296 HB VAL 38 HB VAL 38 7.355 0.905 1.389 297 1HG1 VAL 38 1HG1 VAL 38 7.611 3.212 1.309 298 2HG1 VAL 38 2HG1 VAL 38 7.914 3.241 -0.458 299 3HG1 VAL 38 3HG1 VAL 38 6.272 2.938 0.160 300 1HG2 VAL 38 1HG2 VAL 38 6.910 0.778 -1.603 301 2HG2 VAL 38 2HG2 VAL 38 6.789 -0.576 -0.455 302 3HG2 VAL 38 3HG2 VAL 38 5.644 0.766 -0.363 303 H ILE 39 H ILE 39 9.323 -0.550 -1.961 304 HA ILE 39 HA ILE 39 10.933 1.524 -3.382 305 HB ILE 39 HB ILE 39 11.290 -0.059 -5.099 306 1HG1 ILE 39 2HG1 ILE 39 10.330 -2.533 -4.047 307 2HG1 ILE 39 3HG1 ILE 39 8.957 -1.417 -4.036 308 1HG2 ILE 39 1HG2 ILE 39 12.758 -0.127 -3.106 309 2HG2 ILE 39 2HG2 ILE 39 11.750 -1.426 -2.430 310 3HG2 ILE 39 3HG2 ILE 39 12.643 -1.689 -3.938 311 1HD1 ILE 39 1HD1 ILE 39 9.357 -0.885 -6.416 312 2HD1 ILE 39 2HD1 ILE 39 10.734 -2.017 -6.427 313 3HD1 ILE 39 3HD1 ILE 39 9.085 -2.623 -6.163 314 H ARG 40 H ARG 40 10.166 2.067 -5.691 315 HA ARG 40 HA ARG 40 7.312 1.949 -6.039 316 1HB ARG 40 2HB ARG 40 8.706 4.379 -5.006 317 2HB ARG 40 3HB ARG 40 7.851 4.666 -6.499 318 1HG ARG 40 2HG ARG 40 6.180 5.183 -5.171 319 2HG ARG 40 3HG ARG 40 5.798 3.467 -5.255 320 1HD ARG 40 2HD ARG 40 6.537 3.100 -3.014 321 2HD ARG 40 3HD ARG 40 7.569 4.528 -3.038 322 HE ARG 40 HE ARG 40 5.863 5.920 -2.545 323 1HH1 ARG 40 1HH2 ARG 40 4.410 2.710 -3.143 324 2HH1 ARG 40 2HH2 ARG 40 2.813 3.254 -2.652 325 1HH2 ARG 40 1HH1 ARG 40 3.752 6.576 -2.075 326 2HH2 ARG 40 2HH1 ARG 40 2.451 5.402 -2.064 327 HA PRO 41 HA PRO 41 5.995 3.385 -7.559 328 1HB PRO 41 2HB PRO 41 4.703 2.822 -9.870 329 2HB PRO 41 3HB PRO 41 5.665 4.310 -9.633 330 1HG PRO 41 2HG PRO 41 6.543 1.746 -10.985 331 2HG PRO 41 3HG PRO 41 6.713 3.420 -11.593 332 1HD PRO 41 2HD PRO 41 8.752 2.111 -10.297 333 2HD PRO 41 3HD PRO 41 8.499 3.866 -10.096 334 H CYS 42 H CYS 42 4.270 2.027 -6.941 335 HA CYS 42 HA CYS 42 4.737 -0.927 -6.978 336 1HB CYS 42 2HB CYS 42 3.005 0.882 -5.255 337 2HB CYS 42 3HB CYS 42 2.872 -0.877 -5.263 338 HG CYS 42 HG CYS 42 5.747 0.707 -4.890 339 H MET 43 H MET 43 2.143 -1.938 -7.021 340 HA MET 43 HA MET 43 0.736 -0.643 -9.262 341 1HB MET 43 2HB MET 43 2.733 -2.072 -10.131 342 2HB MET 43 3HB MET 43 1.781 -3.476 -9.640 343 1HG MET 43 2HG MET 43 0.031 -2.867 -11.242 344 2HG MET 43 3HG MET 43 0.771 -1.280 -11.476 345 1HE MET 43 1HE MET 43 2.796 -4.675 -11.430 346 2HE MET 43 2HE MET 43 1.276 -5.139 -12.256 347 3HE MET 43 3HE MET 43 2.791 -5.046 -13.164 348 H LYS 44 H LYS 44 -1.376 -1.662 -9.724 349 HA LYS 44 HA LYS 44 -2.247 -3.613 -7.620 350 1HB LYS 44 2HB LYS 44 -4.179 -2.370 -7.102 351 2HB LYS 44 3HB LYS 44 -2.794 -1.292 -6.891 352 1HG LYS 44 2HG LYS 44 -3.339 -0.028 -8.847 353 2HG LYS 44 3HG LYS 44 -4.418 -1.283 -9.469 354 1HD LYS 44 2HD LYS 44 -5.902 -0.967 -7.441 355 2HD LYS 44 3HD LYS 44 -4.921 0.454 -7.029 356 1HE LYS 44 2HE LYS 44 -5.529 1.535 -9.151 357 2HE LYS 44 3HE LYS 44 -6.337 0.058 -9.713 358 1HZ LYS 44 1HZ LYS 44 -7.901 0.282 -7.944 359 2HZ LYS 44 2HZ LYS 44 -7.183 1.671 -7.419 360 3HZ LYS 44 3HZ LYS 44 -7.903 1.621 -8.901 361 H LYS 45 H LYS 45 -4.556 -4.431 -8.077 362 HA LYS 45 HA LYS 45 -5.496 -4.341 -10.769 363 1HB LYS 45 2HB LYS 45 -5.058 -6.495 -11.562 364 2HB LYS 45 3HB LYS 45 -3.514 -5.950 -10.929 365 1HG LYS 45 2HG LYS 45 -5.388 -7.971 -9.638 366 2HG LYS 45 3HG LYS 45 -3.858 -8.266 -10.443 367 1HD LYS 45 2HD LYS 45 -2.775 -6.754 -8.656 368 2HD LYS 45 3HD LYS 45 -4.303 -6.877 -7.778 369 1HE LYS 45 2HE LYS 45 -2.463 -9.170 -8.624 370 2HE LYS 45 3HE LYS 45 -2.711 -8.587 -6.978 371 1HZ LYS 45 1HZ LYS 45 -4.977 -9.348 -7.140 372 2HZ LYS 45 2HZ LYS 45 -4.746 -9.844 -8.695 373 3HZ LYS 45 3HZ LYS 45 -3.938 -10.574 -7.456 374 H THR 46 H THR 46 -7.182 -6.452 -10.904 375 HA THR 46 HA THR 46 -8.488 -6.677 -8.256 376 HB THR 46 HB THR 46 -9.822 -5.402 -9.858 377 HG1 THR 46 1HG THR 46 -10.631 -7.183 -8.298 378 1HG2 THR 46 1HG2 THR 46 -9.131 -6.381 -11.977 379 2HG2 THR 46 2HG2 THR 46 -9.898 -7.921 -11.535 380 3HG2 THR 46 3HG2 THR 46 -10.887 -6.469 -11.775 381 H ILE 47 H ILE 47 -8.587 -8.652 -7.407 382 HA ILE 47 HA ILE 47 -7.342 -10.846 -8.932 383 HB ILE 47 HB ILE 47 -6.651 -10.719 -6.698 384 1HG1 ILE 47 2HG1 ILE 47 -8.662 -13.009 -6.856 385 2HG1 ILE 47 3HG1 ILE 47 -7.214 -12.975 -7.861 386 1HG2 ILE 47 1HG2 ILE 47 -8.411 -9.518 -5.631 387 2HG2 ILE 47 2HG2 ILE 47 -9.578 -10.816 -5.959 388 3HG2 ILE 47 3HG2 ILE 47 -8.261 -11.070 -4.801 389 1HD1 ILE 47 1HD1 ILE 47 -5.800 -12.903 -5.803 390 2HD1 ILE 47 2HD1 ILE 47 -7.263 -13.024 -4.800 391 3HD1 ILE 47 3HD1 ILE 47 -6.824 -14.347 -5.886 392 H TYR 48 H TYR 48 -8.334 -12.457 -9.801 393 HA TYR 48 HA TYR 48 -11.286 -12.415 -10.089 394 1HB TYR 48 2HB TYR 48 -9.036 -13.731 -11.655 395 2HB TYR 48 3HB TYR 48 -10.727 -13.675 -12.147 396 HD1 TYR 48 1HD TYR 48 -11.327 -10.829 -11.476 397 HD2 TYR 48 2HD TYR 48 -8.051 -12.642 -13.574 398 HE1 TYR 48 1HE TYR 48 -11.456 -9.042 -13.175 399 HE2 TYR 48 2HE TYR 48 -8.081 -10.778 -15.214 400 HH TYR 48 HH TYR 48 -10.730 -8.381 -15.224 401 H GLU 49 H GLU 49 -11.876 -14.878 -10.742 402 HA GLU 49 HA GLU 49 -12.246 -16.985 -10.015 403 1HB GLU 49 2HB GLU 49 -9.753 -16.858 -10.398 404 2HB GLU 49 3HB GLU 49 -9.623 -16.864 -8.627 405 1HG GLU 49 2HG GLU 49 -11.155 -18.997 -8.712 406 2HG GLU 49 3HG GLU 49 -10.851 -19.010 -10.451 407 H ASN 50 H ASN 50 -13.699 -15.326 -8.518 408 HA ASN 50 HA ASN 50 -13.349 -15.860 -5.689 409 1HB ASN 50 2HB ASN 50 -14.779 -13.994 -6.454 410 2HB ASN 50 3HB ASN 50 -15.890 -15.156 -7.201 411 1HD2 ASN 50 2HD2 ASN 50 -17.734 -15.000 -5.872 412 2HD2 ASN 50 1HD2 ASN 50 -17.670 -15.345 -4.154 413 H GLU 51 H GLU 51 -14.004 -17.567 -4.518 414 HA GLU 51 HA GLU 51 -14.450 -20.115 -5.476 415 1HB GLU 51 2HB GLU 51 -13.759 -19.479 -3.177 416 2HB GLU 51 3HB GLU 51 -15.385 -18.845 -2.861 417 1HG GLU 51 2HG GLU 51 -16.322 -21.127 -3.126 418 2HG GLU 51 3HG GLU 51 -14.703 -21.753 -3.500 419 H GLY 52 H GLY 52 -16.285 -21.132 -6.389 420 1HA GLY 52 2HA GLY 52 -18.703 -21.443 -6.167 421 2HA GLY 52 3HA GLY 52 -18.857 -19.684 -6.318 422 H PHE 53 H PHE 53 -17.638 -18.751 -8.238 423 HA PHE 53 HA PHE 53 -17.653 -20.381 -10.686 424 1HB PHE 53 2HB PHE 53 -19.948 -18.550 -9.946 425 2HB PHE 53 3HB PHE 53 -19.522 -18.736 -11.630 426 HD1 PHE 53 1HD PHE 53 -19.194 -21.138 -12.575 427 HD2 PHE 53 2HD PHE 53 -21.618 -20.105 -9.158 428 HE1 PHE 53 1HE PHE 53 -20.619 -23.123 -12.984 429 HE2 PHE 53 2HE PHE 53 -23.049 -22.083 -9.585 430 HZ PHE 53 HZ PHE 53 -22.556 -23.593 -11.498 431 H ARG 54 H ARG 54 -15.808 -18.412 -9.250 432 HA ARG 54 HA ARG 54 -14.331 -16.861 -9.909 433 1HB ARG 54 2HB ARG 54 -13.681 -18.663 -11.365 434 2HB ARG 54 3HB ARG 54 -14.880 -18.226 -12.569 435 1HG ARG 54 2HG ARG 54 -13.121 -15.951 -12.064 436 2HG ARG 54 3HG ARG 54 -12.152 -17.379 -12.410 437 1HD ARG 54 2HD ARG 54 -12.969 -17.612 -14.563 438 2HD ARG 54 3HD ARG 54 -14.504 -16.787 -14.202 439 HE ARG 54 HE ARG 54 -12.607 -14.827 -13.853 440 1HH1 ARG 54 1HH2 ARG 54 -13.644 -16.906 -16.505 441 2HH1 ARG 54 2HH2 ARG 54 -13.567 -15.653 -17.714 442 1HH2 ARG 54 1HH1 ARG 54 -12.553 -13.158 -15.403 443 2HH2 ARG 54 2HH1 ARG 54 -12.934 -13.482 -17.071 444 H GLU 55 H GLU 55 -16.084 -15.317 -9.245 445 HA GLU 55 HA GLU 55 -16.548 -13.358 -11.467 446 1HB GLU 55 2HB GLU 55 -18.538 -14.733 -10.603 447 2HB GLU 55 3HB GLU 55 -18.370 -13.833 -9.093 448 1HG GLU 55 2HG GLU 55 -18.513 -11.695 -10.602 449 2HG GLU 55 3HG GLU 55 -19.055 -12.801 -11.873 450 H ILE 56 H ILE 56 -14.274 -12.746 -10.514 451 HA ILE 56 HA ILE 56 -12.969 -11.103 -9.472 452 HB ILE 56 HB ILE 56 -15.578 -9.625 -9.447 453 1HG1 ILE 56 2HG1 ILE 56 -14.505 -8.602 -11.541 454 2HG1 ILE 56 3HG1 ILE 56 -13.437 -10.001 -11.598 455 1HG2 ILE 56 1HG2 ILE 56 -13.812 -8.590 -8.053 456 2HG2 ILE 56 2HG2 ILE 56 -12.622 -8.861 -9.337 457 3HG2 ILE 56 3HG2 ILE 56 -13.926 -7.690 -9.567 458 1HD1 ILE 56 1HD1 ILE 56 -15.299 -11.454 -12.119 459 2HD1 ILE 56 2HD1 ILE 56 -16.479 -10.205 -11.637 460 3HD1 ILE 56 3HD1 ILE 56 -15.492 -10.007 -13.098 461 H LYS 57 H LYS 57 -12.097 -11.747 -7.572 462 HA LYS 57 HA LYS 57 -13.840 -12.094 -5.229 463 1HB LYS 57 2HB LYS 57 -12.152 -13.777 -5.840 464 2HB LYS 57 3HB LYS 57 -10.875 -12.581 -5.631 465 1HG LYS 57 2HG LYS 57 -11.326 -12.416 -3.247 466 2HG LYS 57 3HG LYS 57 -12.778 -13.437 -3.393 467 1HD LYS 57 2HD LYS 57 -11.570 -15.369 -3.859 468 2HD LYS 57 3HD LYS 57 -10.178 -14.473 -4.480 469 1HE LYS 57 2HE LYS 57 -9.476 -15.452 -2.406 470 2HE LYS 57 3HE LYS 57 -9.617 -13.706 -2.163 471 1HZ LYS 57 1HZ LYS 57 -11.779 -14.124 -1.164 472 2HZ LYS 57 2HZ LYS 57 -11.566 -15.751 -1.350 473 3HZ LYS 57 3HZ LYS 57 -10.565 -14.897 -0.360 474 H GLY 58 H GLY 58 -11.560 -9.702 -6.456 475 1HA GLY 58 2HA GLY 58 -12.787 -7.651 -5.172 476 2HA GLY 58 3HA GLY 58 -11.637 -8.210 -3.936 477 H TYR 59 H TYR 59 -11.020 -5.928 -4.346 478 HA TYR 59 HA TYR 59 -9.151 -5.583 -6.628 479 1HB TYR 59 2HB TYR 59 -10.032 -3.741 -4.400 480 2HB TYR 59 3HB TYR 59 -8.668 -3.383 -5.448 481 HD1 TYR 59 1HD TYR 59 -9.208 -3.881 -8.089 482 HD2 TYR 59 2HD TYR 59 -12.122 -2.791 -5.101 483 HE1 TYR 59 1HE TYR 59 -10.658 -2.928 -9.853 484 HE2 TYR 59 2HE TYR 59 -13.609 -1.926 -6.879 485 HH TYR 59 HH TYR 59 -13.855 -1.506 -9.139 486 H GLU 60 H GLU 60 -6.876 -5.607 -6.337 487 HA GLU 60 HA GLU 60 -5.924 -6.204 -3.619 488 1HB GLU 60 2HB GLU 60 -5.698 -7.937 -6.013 489 2HB GLU 60 3HB GLU 60 -4.142 -7.451 -5.319 490 1HG GLU 60 2HG GLU 60 -5.061 -8.231 -3.052 491 2HG GLU 60 3HG GLU 60 -6.345 -9.037 -3.967 492 H TYR 61 H TYR 61 -4.075 -5.132 -3.166 493 HA TYR 61 HA TYR 61 -2.874 -3.347 -5.276 494 1HB TYR 61 2HB TYR 61 -2.931 -2.922 -2.278 495 2HB TYR 61 3HB TYR 61 -2.292 -1.820 -3.499 496 HD1 TYR 61 1HD TYR 61 -5.190 -2.871 -1.615 497 HD2 TYR 61 2HD TYR 61 -3.916 -0.563 -4.999 498 HE1 TYR 61 1HE TYR 61 -7.429 -1.830 -1.728 499 HE2 TYR 61 2HE TYR 61 -6.142 0.546 -5.064 500 HH TYR 61 HH TYR 61 -8.267 0.641 -4.164 501 H GLN 62 H GLN 62 -0.717 -3.898 -5.729 502 HA GLN 62 HA GLN 62 0.595 -5.836 -3.903 503 1HB GLN 62 2HB GLN 62 0.133 -6.682 -6.222 504 2HB GLN 62 3HB GLN 62 0.975 -5.257 -6.839 505 1HG GLN 62 2HG GLN 62 2.996 -6.261 -5.318 506 2HG GLN 62 3HG GLN 62 2.084 -7.749 -5.538 507 1HE2 GLN 62 2HE2 GLN 62 2.813 -4.948 -7.719 508 2HE2 GLN 62 1HE2 GLN 62 3.533 -5.943 -8.978 509 H LEU 63 H LEU 63 1.820 -4.711 -2.527 510 HA LEU 63 HA LEU 63 3.414 -2.447 -3.621 511 1HB LEU 63 2HB LEU 63 2.563 -2.753 -0.742 512 2HB LEU 63 3HB LEU 63 3.228 -1.346 -1.574 513 HG LEU 63 HG LEU 63 0.921 -1.952 -3.090 514 1HD1 LEU 63 1HD1 LEU 63 0.302 -3.602 -1.294 515 2HD1 LEU 63 2HD1 LEU 63 0.208 -2.247 -0.149 516 3HD1 LEU 63 3HD1 LEU 63 -0.871 -2.322 -1.558 517 1HD2 LEU 63 1HD2 LEU 63 1.167 0.017 -0.781 518 2HD2 LEU 63 2HD2 LEU 63 1.672 0.301 -2.463 519 3HD2 LEU 63 3HD2 LEU 63 -0.041 0.058 -2.087 520 H TYR 64 H TYR 64 5.580 -2.514 -3.337 521 HA TYR 64 HA TYR 64 6.705 -5.041 -2.253 522 1HB TYR 64 2HB TYR 64 7.390 -3.054 -4.424 523 2HB TYR 64 3HB TYR 64 8.637 -4.045 -3.693 524 HD1 TYR 64 1HD TYR 64 8.097 -6.629 -3.504 525 HD2 TYR 64 2HD TYR 64 6.292 -3.945 -6.350 526 HE1 TYR 64 1HE TYR 64 7.549 -8.546 -4.979 527 HE2 TYR 64 2HE TYR 64 5.757 -5.868 -7.814 528 HH TYR 64 HH TYR 64 5.310 -8.247 -7.685 529 H VAL 65 H VAL 65 7.002 -4.597 -0.079 530 HA VAL 65 HA VAL 65 8.101 -1.975 0.714 531 HB VAL 65 HB VAL 65 6.214 -3.006 1.927 532 1HG1 VAL 65 1HG1 VAL 65 7.026 -5.355 2.022 533 2HG1 VAL 65 2HG1 VAL 65 8.314 -4.838 3.144 534 3HG1 VAL 65 3HG1 VAL 65 6.613 -4.696 3.613 535 1HG2 VAL 65 1HG2 VAL 65 8.709 -2.378 3.565 536 2HG2 VAL 65 2HG2 VAL 65 7.595 -1.185 2.863 537 3HG2 VAL 65 3HG2 VAL 65 7.022 -2.297 4.113 538 H TYR 66 H TYR 66 10.207 -1.704 1.506 539 HA TYR 66 HA TYR 66 12.061 -3.946 0.920 540 1HB TYR 66 2HB TYR 66 12.288 -1.608 -0.221 541 2HB TYR 66 3HB TYR 66 12.802 -1.038 1.331 542 HD1 TYR 66 1HD TYR 66 13.530 -4.082 -0.711 543 HD2 TYR 66 2HD TYR 66 15.135 -0.747 1.445 544 HE1 TYR 66 1HE TYR 66 15.823 -4.833 -1.297 545 HE2 TYR 66 2HE TYR 66 17.431 -1.397 0.740 546 HH TYR 66 HH TYR 66 18.105 -4.421 -0.996 547 H ALA 67 H ALA 67 12.473 -5.059 2.790 548 HA ALA 67 HA ALA 67 12.947 -3.491 5.179 549 1HB ALA 67 1HB ALA 67 10.468 -3.966 5.209 550 2HB ALA 67 2HB ALA 67 10.857 -5.682 5.346 551 3HB ALA 67 3HB ALA 67 11.368 -4.554 6.615 552 H SER 68 H SER 68 14.100 -4.532 6.877 553 HA SER 68 HA SER 68 16.117 -5.485 7.259 554 1HB SER 68 2HB SER 68 16.293 -7.990 6.957 555 2HB SER 68 3HB SER 68 14.955 -7.390 7.923 556 HG SER 68 HG SER 68 14.455 -7.761 5.220 557 H ASP 69 H ASP 69 15.870 -4.191 4.593 558 HA ASP 69 HA ASP 69 16.935 -3.920 2.642 559 1HB ASP 69 2HB ASP 69 18.889 -3.944 4.245 560 2HB ASP 69 3HB ASP 69 19.140 -5.641 3.835 561 H LYS 70 H LYS 70 15.155 -6.254 3.002 562 HA LYS 70 HA LYS 70 15.872 -7.816 0.574 563 1HB LYS 70 2HB LYS 70 14.291 -8.618 3.071 564 2HB LYS 70 3HB LYS 70 14.060 -9.395 1.515 565 1HG LYS 70 2HG LYS 70 15.479 -10.818 2.598 566 2HG LYS 70 3HG LYS 70 16.544 -9.951 1.482 567 1HD LYS 70 2HD LYS 70 17.382 -8.551 3.257 568 2HD LYS 70 3HD LYS 70 16.146 -9.110 4.394 569 1HE LYS 70 2HE LYS 70 18.265 -10.943 3.177 570 2HE LYS 70 3HE LYS 70 18.454 -10.103 4.726 571 1HZ LYS 70 1HZ LYS 70 16.515 -11.209 5.529 572 2HZ LYS 70 2HZ LYS 70 16.309 -12.006 4.102 573 3HZ LYS 70 3HZ LYS 70 17.634 -12.312 5.033 574 H LEU 71 H LEU 71 13.950 -8.311 -0.706 575 HA LEU 71 HA LEU 71 12.044 -6.045 -0.758 576 1HB LEU 71 2HB LEU 71 13.687 -7.157 -2.677 577 2HB LEU 71 3HB LEU 71 12.195 -8.021 -2.993 578 HG LEU 71 HG LEU 71 12.241 -4.995 -2.765 579 1HD1 LEU 71 1HD1 LEU 71 13.942 -5.666 -4.453 580 2HD1 LEU 71 2HD1 LEU 71 12.729 -6.686 -5.259 581 3HD1 LEU 71 3HD1 LEU 71 12.530 -4.919 -5.215 582 1HD2 LEU 71 1HD2 LEU 71 10.404 -6.991 -4.104 583 2HD2 LEU 71 2HD2 LEU 71 10.066 -5.944 -2.693 584 3HD2 LEU 71 3HD2 LEU 71 10.330 -5.233 -4.309 585 H PHE 72 H PHE 72 10.094 -6.474 0.229 586 HA PHE 72 HA PHE 72 9.168 -9.318 0.411 587 1HB PHE 72 2HB PHE 72 8.804 -6.882 2.159 588 2HB PHE 72 3HB PHE 72 7.846 -8.327 2.332 589 HD1 PHE 72 1HD PHE 72 10.739 -6.699 3.425 590 HD2 PHE 72 2HD PHE 72 9.210 -10.627 2.560 591 HE1 PHE 72 1HE PHE 72 12.282 -7.681 5.123 592 HE2 PHE 72 2HE PHE 72 10.889 -11.623 4.092 593 HZ PHE 72 HZ PHE 72 12.438 -10.146 5.372 594 H ARG 73 H ARG 73 7.496 -9.771 -0.882 595 HA ARG 73 HA ARG 73 6.034 -7.651 -2.216 596 1HB ARG 73 2HB ARG 73 6.605 -9.833 -3.320 597 2HB ARG 73 3HB ARG 73 5.534 -10.653 -2.171 598 1HG ARG 73 2HG ARG 73 3.664 -9.263 -2.909 599 2HG ARG 73 3HG ARG 73 4.691 -8.393 -4.062 600 1HD ARG 73 2HD ARG 73 4.869 -10.252 -5.495 601 2HD ARG 73 3HD ARG 73 4.476 -11.415 -4.205 602 HE ARG 73 HE ARG 73 2.226 -9.787 -4.461 603 1HH1 ARG 73 1HH2 ARG 73 3.972 -12.060 -6.522 604 2HH1 ARG 73 2HH2 ARG 73 2.532 -12.694 -7.273 605 1HH2 ARG 73 1HH1 ARG 73 0.391 -10.580 -5.352 606 2HH2 ARG 73 2HH1 ARG 73 0.412 -11.812 -6.600 607 H ALA 74 H ALA 74 4.483 -6.558 -1.025 608 HA ALA 74 HA ALA 74 3.089 -8.030 1.123 609 1HB ALA 74 1HB ALA 74 4.834 -6.846 2.156 610 2HB ALA 74 2HB ALA 74 4.404 -5.337 1.311 611 3HB ALA 74 3HB ALA 74 3.326 -6.021 2.541 612 H ASP 75 H ASP 75 1.190 -8.353 0.122 613 HA ASP 75 HA ASP 75 -0.020 -6.164 -1.455 614 1HB ASP 75 2HB ASP 75 -0.603 -9.167 -1.389 615 2HB ASP 75 3HB ASP 75 -1.406 -7.991 -2.433 616 H ILE 76 H ILE 76 -2.461 -5.930 -1.238 617 HA ILE 76 HA ILE 76 -3.612 -7.352 1.077 618 HB ILE 76 HB ILE 76 -3.031 -4.620 1.265 619 1HG1 ILE 76 2HG1 ILE 76 -5.341 -5.909 2.762 620 2HG1 ILE 76 3HG1 ILE 76 -3.661 -6.410 3.072 621 1HG2 ILE 76 1HG2 ILE 76 -4.520 -3.719 0.001 622 2HG2 ILE 76 2HG2 ILE 76 -5.904 -4.808 0.324 623 3HG2 ILE 76 3HG2 ILE 76 -5.429 -3.632 1.505 624 1HD1 ILE 76 1HD1 ILE 76 -3.074 -4.127 3.747 625 2HD1 ILE 76 2HD1 ILE 76 -4.750 -3.592 3.511 626 3HD1 ILE 76 3HD1 ILE 76 -4.392 -4.822 4.707 627 H SER 77 H SER 77 -5.748 -7.838 0.763 628 HA SER 77 HA SER 77 -6.860 -7.365 -1.950 629 1HB SER 77 2HB SER 77 -6.435 -9.770 -1.458 630 2HB SER 77 3HB SER 77 -7.467 -9.620 -0.026 631 HG SER 77 HG SER 77 -9.219 -9.135 -1.461 632 H GLU 78 H GLU 78 -9.034 -6.788 -2.035 633 HA GLU 78 HA GLU 78 -10.178 -5.761 0.462 634 1HB GLU 78 2HB GLU 78 -10.635 -4.998 -2.461 635 2HB GLU 78 3HB GLU 78 -11.671 -4.430 -1.164 636 1HG GLU 78 2HG GLU 78 -9.437 -3.634 -0.023 637 2HG GLU 78 3HG GLU 78 -8.775 -3.762 -1.661 638 H ASP 79 H ASP 79 -12.474 -5.867 0.651 639 HA ASP 79 HA ASP 79 -13.627 -8.476 -0.218 640 1HB ASP 79 2HB ASP 79 -13.809 -7.933 2.144 641 2HB ASP 79 3HB ASP 79 -14.577 -6.389 1.778 642 H TYR 80 H TYR 80 -14.088 -8.085 -2.392 643 HA TYR 80 HA TYR 80 -15.083 -5.992 -3.704 644 1HB TYR 80 2HB TYR 80 -14.662 -8.462 -4.462 645 2HB TYR 80 3HB TYR 80 -16.345 -8.728 -4.095 646 HD1 TYR 80 1HD TYR 80 -17.574 -8.885 -6.098 647 HD2 TYR 80 2HD TYR 80 -14.367 -6.001 -5.858 648 HE1 TYR 80 1HE TYR 80 -17.972 -8.227 -8.449 649 HE2 TYR 80 2HE TYR 80 -14.777 -5.348 -8.191 650 HH TYR 80 HH TYR 80 -15.965 -5.781 -10.111 651 H LYS 81 H LYS 81 -17.176 -8.055 -1.639 652 HA LYS 81 HA LYS 81 -19.682 -7.124 -2.312 653 1HB LYS 81 2HB LYS 81 -19.138 -8.861 -0.577 654 2HB LYS 81 3HB LYS 81 -18.571 -7.577 0.498 655 1HG LYS 81 2HG LYS 81 -20.779 -8.305 1.145 656 2HG LYS 81 3HG LYS 81 -20.837 -6.617 0.626 657 1HD LYS 81 2HD LYS 81 -21.776 -7.250 -1.537 658 2HD LYS 81 3HD LYS 81 -21.533 -8.977 -1.182 659 1HE LYS 81 2HE LYS 81 -23.157 -8.798 0.704 660 2HE LYS 81 3HE LYS 81 -23.380 -7.074 0.344 661 1HZ LYS 81 1HZ LYS 81 -24.216 -7.694 -1.801 662 2HZ LYS 81 2HZ LYS 81 -24.002 -9.295 -1.473 663 3HZ LYS 81 3HZ LYS 81 -25.096 -8.416 -0.610 664 H THR 82 H THR 82 -17.191 -5.513 -0.446 665 HA THR 82 HA THR 82 -18.798 -3.010 -0.270 666 HB THR 82 HB THR 82 -17.451 -4.480 2.046 667 HG1 THR 82 1HG THR 82 -19.633 -4.528 2.769 668 1HG2 THR 82 1HG2 THR 82 -17.240 -2.040 2.313 669 2HG2 THR 82 2HG2 THR 82 -18.950 -1.850 1.857 670 3HG2 THR 82 3HG2 THR 82 -18.502 -2.675 3.384 671 H ARG 83 H ARG 83 -15.813 -3.529 1.432 672 HA ARG 83 HA ARG 83 -13.747 -2.824 -0.196 673 1HB ARG 83 2HB ARG 83 -15.425 -0.460 0.312 674 2HB ARG 83 3HB ARG 83 -13.736 -0.220 0.736 675 1HG ARG 83 2HG ARG 83 -13.005 -0.969 -1.491 676 2HG ARG 83 3HG ARG 83 -14.687 -1.098 -2.006 677 1HD ARG 83 2HD ARG 83 -14.998 1.325 -1.412 678 2HD ARG 83 3HD ARG 83 -13.257 1.403 -1.035 679 HE ARG 83 HE ARG 83 -13.689 0.317 -3.656 680 1HH1 ARG 83 1HH2 ARG 83 -13.764 3.373 -1.893 681 2HH1 ARG 83 2HH2 ARG 83 -13.463 4.363 -3.296 682 1HH2 ARG 83 1HH1 ARG 83 -13.328 1.589 -5.509 683 2HH2 ARG 83 2HH1 ARG 83 -13.221 3.325 -5.397 684 H GLY 84 H GLY 84 -14.114 -4.483 1.858 685 1HA GLY 84 2HA GLY 84 -12.985 -3.403 4.348 686 2HA GLY 84 3HA GLY 84 -13.344 -5.100 3.977 687 H ARG 85 H ARG 85 -10.856 -4.633 5.051 688 HA ARG 85 HA ARG 85 -9.017 -5.077 2.749 689 1HB ARG 85 2HB ARG 85 -7.588 -4.349 5.165 690 2HB ARG 85 3HB ARG 85 -7.493 -3.674 3.559 691 1HG ARG 85 2HG ARG 85 -8.053 -1.890 4.987 692 2HG ARG 85 3HG ARG 85 -9.547 -2.252 4.141 693 1HD ARG 85 2HD ARG 85 -9.383 -3.890 6.561 694 2HD ARG 85 3HD ARG 85 -8.998 -2.213 6.987 695 HE ARG 85 HE ARG 85 -11.265 -1.975 5.449 696 1HH1 ARG 85 1HH2 ARG 85 -10.388 -3.691 8.415 697 2HH1 ARG 85 2HH2 ARG 85 -11.974 -3.574 9.123 698 1HH2 ARG 85 1HH1 ARG 85 -13.345 -1.799 6.373 699 2HH2 ARG 85 2HH1 ARG 85 -13.682 -2.478 7.942 700 H LYS 86 H LYS 86 -7.898 -6.977 2.785 701 HA LYS 86 HA LYS 86 -7.825 -8.521 5.327 702 1HB LYS 86 2HB LYS 86 -8.575 -9.367 2.570 703 2HB LYS 86 3HB LYS 86 -7.489 -10.455 3.434 704 1HG LYS 86 2HG LYS 86 -10.169 -9.492 4.532 705 2HG LYS 86 3HG LYS 86 -9.869 -11.009 3.690 706 1HD LYS 86 2HD LYS 86 -9.729 -11.782 5.798 707 2HD LYS 86 3HD LYS 86 -8.025 -11.444 5.526 708 1HE LYS 86 2HE LYS 86 -7.986 -9.802 7.166 709 2HE LYS 86 3HE LYS 86 -9.577 -9.165 6.725 710 1HZ LYS 86 1HZ LYS 86 -10.566 -11.021 7.829 711 2HZ LYS 86 2HZ LYS 86 -9.087 -11.611 8.261 712 3HZ LYS 86 3HZ LYS 86 -9.605 -10.162 8.856 713 H LEU 87 H LEU 87 -5.943 -8.823 6.114 714 HA LEU 87 HA LEU 87 -3.523 -7.876 5.079 715 1HB LEU 87 2HB LEU 87 -4.176 -8.391 7.461 716 2HB LEU 87 3HB LEU 87 -3.954 -10.102 7.139 717 HG LEU 87 HG LEU 87 -1.747 -8.028 6.768 718 1HD1 LEU 87 1HD1 LEU 87 -2.537 -7.932 9.073 719 2HD1 LEU 87 2HD1 LEU 87 -2.368 -9.693 9.231 720 3HD1 LEU 87 3HD1 LEU 87 -0.932 -8.670 9.000 721 1HD2 LEU 87 1HD2 LEU 87 -1.674 -11.062 7.153 722 2HD2 LEU 87 2HD2 LEU 87 -1.204 -10.190 5.679 723 3HD2 LEU 87 3HD2 LEU 87 -0.247 -10.011 7.145 724 H LEU 88 H LEU 88 -2.818 -8.586 3.118 725 HA LEU 88 HA LEU 88 -2.267 -11.499 2.792 726 1HB LEU 88 2HB LEU 88 -3.940 -9.868 1.239 727 2HB LEU 88 3HB LEU 88 -2.453 -9.909 0.303 728 HG LEU 88 HG LEU 88 -3.859 -12.411 1.400 729 1HD1 LEU 88 1HD1 LEU 88 -5.407 -11.252 -0.026 730 2HD1 LEU 88 2HD1 LEU 88 -4.172 -11.040 -1.293 731 3HD1 LEU 88 3HD1 LEU 88 -4.779 -12.664 -0.889 732 1HD2 LEU 88 1HD2 LEU 88 -1.785 -12.023 -0.813 733 2HD2 LEU 88 2HD2 LEU 88 -1.486 -12.762 0.777 734 3HD2 LEU 88 3HD2 LEU 88 -2.564 -13.559 -0.375 735 H ARG 89 H ARG 89 -0.816 -8.842 3.768 736 HA ARG 89 HA ARG 89 1.357 -8.682 1.995 737 1HB ARG 89 2HB ARG 89 2.389 -7.477 4.180 738 2HB ARG 89 3HB ARG 89 1.338 -6.695 3.028 739 1HG ARG 89 2HG ARG 89 0.136 -8.041 5.407 740 2HG ARG 89 3HG ARG 89 0.999 -6.533 5.622 741 1HD ARG 89 2HD ARG 89 -1.290 -6.743 3.605 742 2HD ARG 89 3HD ARG 89 -1.521 -6.298 5.284 743 HE ARG 89 HE ARG 89 -0.552 -4.253 5.014 744 1HH1 ARG 89 1HH2 ARG 89 -0.398 -6.008 1.956 745 2HH1 ARG 89 2HH2 ARG 89 0.383 -4.709 1.091 746 1HH2 ARG 89 1HH1 ARG 89 0.109 -2.414 3.793 747 2HH2 ARG 89 2HH1 ARG 89 0.453 -2.613 2.097 748 H PHE 90 H PHE 90 3.629 -8.904 2.656 749 HA PHE 90 HA PHE 90 5.434 -9.858 3.512 750 1HB PHE 90 2HB PHE 90 3.502 -10.141 5.640 751 2HB PHE 90 3HB PHE 90 4.527 -11.555 5.607 752 HD1 PHE 90 1HD PHE 90 4.168 -8.170 6.606 753 HD2 PHE 90 2HD PHE 90 7.121 -11.131 5.561 754 HE1 PHE 90 1HE PHE 90 5.743 -7.188 8.221 755 HE2 PHE 90 2HE PHE 90 8.832 -9.878 6.856 756 HZ PHE 90 HZ PHE 90 8.174 -7.890 8.173 757 H ASN 91 H ASN 91 5.089 -10.788 1.310 758 HA ASN 91 HA ASN 91 5.023 -13.758 1.428 759 1HB ASN 91 2HB ASN 91 2.900 -12.454 0.603 760 2HB ASN 91 3HB ASN 91 3.864 -12.169 -0.857 761 1HD2 ASN 91 2HD2 ASN 91 1.362 -13.677 -0.614 762 2HD2 ASN 91 1HD2 ASN 91 1.737 -15.330 -1.071 763 H GLY 92 H GLY 92 5.968 -14.682 -0.610 764 1HA GLY 92 2HA GLY 92 7.626 -14.545 -2.335 765 2HA GLY 92 3HA GLY 92 8.342 -13.132 -1.571 766 HA PRO 93 HA PRO 93 9.745 -12.526 0.180 767 1HB PRO 93 2HB PRO 93 12.419 -12.654 0.651 768 2HB PRO 93 3HB PRO 93 11.221 -13.069 1.909 769 1HG PRO 93 2HG PRO 93 12.666 -14.990 0.054 770 2HG PRO 93 3HG PRO 93 12.563 -15.076 1.839 771 1HD PRO 93 2HD PRO 93 10.860 -16.477 0.241 772 2HD PRO 93 3HD PRO 93 10.264 -15.721 1.745 773 H VAL 94 H VAL 94 11.198 -11.068 -1.197 774 HA VAL 94 HA VAL 94 11.687 -12.338 -3.846 775 HB VAL 94 HB VAL 94 10.639 -9.591 -3.140 776 1HG1 VAL 94 1HG1 VAL 94 12.195 -9.368 -5.035 777 2HG1 VAL 94 2HG1 VAL 94 11.405 -10.731 -5.858 778 3HG1 VAL 94 3HG1 VAL 94 10.522 -9.217 -5.572 779 1HG2 VAL 94 1HG2 VAL 94 9.465 -12.005 -4.562 780 2HG2 VAL 94 2HG2 VAL 94 8.937 -11.293 -3.019 781 3HG2 VAL 94 3HG2 VAL 94 8.727 -10.397 -4.525 782 HA PRO 95 HA PRO 95 15.846 -10.976 -2.719 783 1HB PRO 95 2HB PRO 95 17.242 -11.979 -4.858 784 2HB PRO 95 3HB PRO 95 16.616 -13.008 -3.536 785 1HG PRO 95 2HG PRO 95 15.354 -12.476 -6.234 786 2HG PRO 95 3HG PRO 95 15.600 -14.056 -5.433 787 1HD PRO 95 2HD PRO 95 13.238 -12.692 -5.353 788 2HD PRO 95 3HD PRO 95 13.784 -13.675 -3.958 789 HA PRO 96 HA PRO 96 15.980 -7.238 -5.118 790 1HB PRO 96 2HB PRO 96 18.646 -6.528 -5.100 791 2HB PRO 96 3HB PRO 96 17.606 -6.463 -3.646 792 1HG PRO 96 2HG PRO 96 19.466 -8.705 -4.492 793 2HG PRO 96 3HG PRO 96 19.391 -7.899 -2.896 794 1HD PRO 96 2HD PRO 96 18.114 -10.246 -3.357 795 2HD PRO 96 3HD PRO 96 17.327 -8.978 -2.369 796 HA PRO 97 HA PRO 97 16.932 -8.494 -9.281 797 1HB PRO 97 2HB PRO 97 17.343 -6.129 -10.600 798 2HB PRO 97 3HB PRO 97 15.744 -6.631 -9.983 799 1HG PRO 97 2HG PRO 97 17.745 -4.800 -8.627 800 2HG PRO 97 3HG PRO 97 16.003 -4.498 -8.903 801 1HD PRO 97 2HD PRO 97 16.915 -5.455 -6.533 802 2HD PRO 97 3HD PRO 97 15.387 -6.075 -7.225 Start of MODEL 14 1 1H MET 1 1H MET 1 -13.048 -10.192 -17.016 2 2H MET 1 2H MET 1 -11.846 -10.328 -16.691 3 3H MET 1 3H MET 1 -12.868 -8.982 -17.458 4 HA MET 1 HA MET 1 -11.037 -8.074 -17.720 5 1HB MET 1 2HB MET 1 -11.997 -8.683 -14.898 6 2HB MET 1 3HB MET 1 -11.064 -7.271 -15.394 7 1HG MET 1 2HG MET 1 -12.979 -6.574 -16.864 8 2HG MET 1 3HG MET 1 -13.928 -7.906 -16.169 9 1HE MET 1 1HE MET 1 -15.054 -5.012 -16.121 10 2HE MET 1 2HE MET 1 -15.857 -6.408 -15.358 11 3HE MET 1 3HE MET 1 -15.628 -4.902 -14.440 12 H GLY 2 H GLY 2 -8.953 -7.712 -16.614 13 1HA GLY 2 2HA GLY 2 -7.661 -9.191 -14.754 14 2HA GLY 2 3HA GLY 2 -7.419 -10.181 -16.211 15 H GLU 3 H GLU 3 -7.242 -6.779 -15.105 16 HA GLU 3 HA GLU 3 -4.651 -6.425 -16.491 17 1HB GLU 3 2HB GLU 3 -6.999 -4.463 -16.533 18 2HB GLU 3 3HB GLU 3 -5.337 -4.061 -16.986 19 1HG GLU 3 2HG GLU 3 -5.401 -5.852 -18.740 20 2HG GLU 3 3HG GLU 3 -7.114 -6.113 -18.373 21 H TRP 4 H TRP 4 -3.602 -4.430 -15.536 22 HA TRP 4 HA TRP 4 -4.081 -4.334 -12.607 23 1HB TRP 4 2HB TRP 4 -1.422 -3.995 -14.040 24 2HB TRP 4 3HB TRP 4 -1.742 -3.983 -12.335 25 HD1 TRP 4 HD TRP 4 -2.078 -6.559 -15.228 26 HE1 TRP 4 1HE TRP 4 -1.373 -8.844 -14.357 27 HE3 TRP 4 3HE TRP 4 -1.149 -5.278 -10.402 28 HZ2 TRP 4 2HZ TRP 4 -0.443 -9.990 -11.843 29 HZ3 TRP 4 3HZ TRP 4 -0.366 -6.986 -8.758 30 HH2 TRP 4 HH TRP 4 0.024 -9.330 -9.483 31 H GLU 5 H GLU 5 -3.505 -2.230 -11.661 32 HA GLU 5 HA GLU 5 -3.722 0.100 -13.502 33 1HB GLU 5 2HB GLU 5 -5.479 -0.628 -11.153 34 2HB GLU 5 3HB GLU 5 -5.431 0.983 -11.827 35 1HG GLU 5 2HG GLU 5 -6.475 0.324 -13.845 36 2HG GLU 5 3HG GLU 5 -6.083 -1.383 -13.622 37 H ILE 6 H ILE 6 -3.365 2.091 -12.323 38 HA ILE 6 HA ILE 6 -0.786 1.920 -11.107 39 HB ILE 6 HB ILE 6 -2.624 4.289 -11.528 40 1HG1 ILE 6 2HG1 ILE 6 -0.295 3.489 -13.322 41 2HG1 ILE 6 3HG1 ILE 6 -1.933 2.919 -13.640 42 1HG2 ILE 6 1HG2 ILE 6 -0.929 4.956 -9.998 43 2HG2 ILE 6 2HG2 ILE 6 0.357 4.151 -10.926 44 3HG2 ILE 6 3HG2 ILE 6 -0.439 5.612 -11.539 45 1HD1 ILE 6 1HD1 ILE 6 -2.761 5.251 -13.750 46 2HD1 ILE 6 2HD1 ILE 6 -1.088 5.836 -13.613 47 3HD1 ILE 6 3HD1 ILE 6 -1.566 4.845 -14.995 48 H ILE 7 H ILE 7 -0.171 2.261 -9.030 49 HA ILE 7 HA ILE 7 -1.978 1.877 -6.869 50 HB ILE 7 HB ILE 7 0.240 1.132 -6.622 51 1HG1 ILE 7 2HG1 ILE 7 0.777 3.301 -4.734 52 2HG1 ILE 7 3HG1 ILE 7 -0.910 2.872 -4.676 53 1HG2 ILE 7 1HG2 ILE 7 1.453 2.599 -8.133 54 2HG2 ILE 7 2HG2 ILE 7 1.178 3.984 -7.068 55 3HG2 ILE 7 3HG2 ILE 7 2.191 2.644 -6.532 56 1HD1 ILE 7 1HD1 ILE 7 -0.076 0.395 -4.460 57 2HD1 ILE 7 2HD1 ILE 7 1.431 1.186 -3.919 58 3HD1 ILE 7 3HD1 ILE 7 -0.070 1.495 -3.074 59 H ASP 8 H ASP 8 -0.426 4.857 -8.122 60 HA ASP 8 HA ASP 8 -0.921 7.073 -7.766 61 1HB ASP 8 2HB ASP 8 -3.410 6.117 -7.887 62 2HB ASP 8 3HB ASP 8 -3.413 6.554 -6.175 63 H ILE 9 H ILE 9 -1.894 8.313 -5.437 64 HA ILE 9 HA ILE 9 0.174 7.597 -3.433 65 HB ILE 9 HB ILE 9 -0.030 10.188 -5.023 66 1HG1 ILE 9 2HG1 ILE 9 1.156 8.427 -6.309 67 2HG1 ILE 9 3HG1 ILE 9 2.188 9.770 -5.876 68 1HG2 ILE 9 1HG2 ILE 9 0.607 10.934 -2.902 69 2HG2 ILE 9 2HG2 ILE 9 1.713 9.552 -2.645 70 3HG2 ILE 9 3HG2 ILE 9 2.101 10.829 -3.819 71 1HD1 ILE 9 1HD1 ILE 9 3.231 8.469 -4.063 72 2HD1 ILE 9 2HD1 ILE 9 2.160 7.095 -4.407 73 3HD1 ILE 9 3HD1 ILE 9 3.342 7.621 -5.610 74 H GLY 10 H GLY 10 -0.041 9.346 -1.618 75 1HA GLY 10 2HA GLY 10 -1.352 10.425 -0.065 76 2HA GLY 10 3HA GLY 10 -2.668 10.500 -1.236 77 HA PRO 11 HA PRO 11 -3.984 7.507 1.950 78 1HB PRO 11 2HB PRO 11 -6.670 7.560 1.603 79 2HB PRO 11 3HB PRO 11 -5.778 8.997 2.164 80 1HG PRO 11 2HG PRO 11 -6.591 8.362 -0.692 81 2HG PRO 11 3HG PRO 11 -6.939 9.857 0.224 82 1HD PRO 11 2HD PRO 11 -4.795 9.653 -1.446 83 2HD PRO 11 3HD PRO 11 -4.676 10.560 0.094 84 H PHE 12 H PHE 12 -2.670 6.143 0.208 85 HA PHE 12 HA PHE 12 -4.292 3.807 -0.431 86 1HB PHE 12 2HB PHE 12 -4.506 5.458 -2.337 87 2HB PHE 12 3HB PHE 12 -2.813 5.240 -2.685 88 HD1 PHE 12 1HD PHE 12 -5.824 4.491 -3.953 89 HD2 PHE 12 2HD PHE 12 -2.302 2.371 -2.618 90 HE1 PHE 12 1HE PHE 12 -6.015 2.937 -5.861 91 HE2 PHE 12 2HE PHE 12 -2.505 0.845 -4.512 92 HZ PHE 12 HZ PHE 12 -4.280 1.201 -6.223 93 H THR 13 H THR 13 -1.099 4.957 -1.672 94 HA THR 13 HA THR 13 0.229 2.574 -0.911 95 HB THR 13 HB THR 13 0.994 4.186 -2.646 96 HG1 THR 13 1HG THR 13 2.890 3.524 -0.650 97 1HG2 THR 13 1HG2 THR 13 0.768 6.329 -1.363 98 2HG2 THR 13 2HG2 THR 13 2.173 5.843 -0.379 99 3HG2 THR 13 3HG2 THR 13 2.354 6.087 -2.117 100 H GLN 14 H GLN 14 -0.105 5.742 0.712 101 HA GLN 14 HA GLN 14 1.487 5.017 2.985 102 1HB GLN 14 2HB GLN 14 -0.096 7.309 2.047 103 2HB GLN 14 3HB GLN 14 -0.302 7.039 3.767 104 1HG GLN 14 2HG GLN 14 2.063 7.235 4.169 105 2HG GLN 14 3HG GLN 14 2.450 7.084 2.448 106 1HE2 GLN 14 2HE2 GLN 14 1.879 8.857 0.981 107 2HE2 GLN 14 1HE2 GLN 14 1.747 10.478 1.644 108 H ASN 15 H ASN 15 -2.016 4.872 2.297 109 HA ASN 15 HA ASN 15 -2.893 4.114 4.872 110 1HB ASN 15 2HB ASN 15 -4.391 4.728 3.010 111 2HB ASN 15 3HB ASN 15 -4.018 3.229 2.168 112 1HD2 ASN 15 2HD2 ASN 15 -5.036 1.275 2.836 113 2HD2 ASN 15 1HD2 ASN 15 -6.198 1.257 4.150 114 H LEU 16 H LEU 16 -2.213 2.003 2.119 115 HA LEU 16 HA LEU 16 -2.104 -0.560 3.357 116 1HB LEU 16 2HB LEU 16 -0.544 0.680 1.041 117 2HB LEU 16 3HB LEU 16 -0.496 -1.036 1.427 118 HG LEU 16 HG LEU 16 -3.173 0.327 0.895 119 1HD1 LEU 16 1HD1 LEU 16 -3.033 -0.175 -1.427 120 2HD1 LEU 16 2HD1 LEU 16 -1.595 0.778 -1.031 121 3HD1 LEU 16 3HD1 LEU 16 -1.464 -0.973 -1.243 122 1HD2 LEU 16 1HD2 LEU 16 -2.138 -2.505 0.560 123 2HD2 LEU 16 2HD2 LEU 16 -3.165 -1.936 1.897 124 3HD2 LEU 16 3HD2 LEU 16 -3.799 -1.950 0.249 125 H ALA 17 H ALA 17 0.587 1.802 2.909 126 HA ALA 17 HA ALA 17 2.562 0.172 4.102 127 1HB ALA 17 1HB ALA 17 3.022 2.198 2.803 128 2HB ALA 17 2HB ALA 17 2.288 3.198 4.076 129 3HB ALA 17 3HB ALA 17 3.779 2.295 4.410 130 H LYS 18 H LYS 18 0.317 2.561 5.629 131 HA LYS 18 HA LYS 18 1.410 2.276 8.230 132 1HB LYS 18 2HB LYS 18 -0.770 3.745 6.958 133 2HB LYS 18 3HB LYS 18 -1.413 2.927 8.369 134 1HG LYS 18 2HG LYS 18 1.063 4.705 8.376 135 2HG LYS 18 3HG LYS 18 -0.575 5.210 8.831 136 1HD LYS 18 2HD LYS 18 -0.618 3.414 10.586 137 2HD LYS 18 3HD LYS 18 1.073 3.035 10.229 138 1HE LYS 18 2HE LYS 18 1.701 5.401 10.766 139 2HE LYS 18 3HE LYS 18 0.012 5.729 11.200 140 1HZ LYS 18 1HZ LYS 18 0.194 4.050 12.893 141 2HZ LYS 18 2HZ LYS 18 1.767 3.762 12.494 142 3HZ LYS 18 3HZ LYS 18 1.327 5.226 13.107 143 H PHE 19 H PHE 19 -1.349 0.807 6.519 144 HA PHE 19 HA PHE 19 -2.368 -0.861 8.488 145 1HB PHE 19 2HB PHE 19 -3.277 -0.494 6.182 146 2HB PHE 19 3HB PHE 19 -2.030 -1.541 5.545 147 HD1 PHE 19 1HD PHE 19 -2.551 -3.773 5.152 148 HD2 PHE 19 2HD PHE 19 -4.766 -1.596 8.143 149 HE1 PHE 19 1HE PHE 19 -4.030 -5.743 5.513 150 HE2 PHE 19 2HE PHE 19 -6.295 -3.532 8.408 151 HZ PHE 19 HZ PHE 19 -5.931 -5.597 7.025 152 H ALA 20 H ALA 20 0.319 -1.596 6.187 153 HA ALA 20 HA ALA 20 0.990 -4.117 7.103 154 1HB ALA 20 1HB ALA 20 2.196 -2.672 5.285 155 2HB ALA 20 2HB ALA 20 3.285 -2.222 6.594 156 3HB ALA 20 3HB ALA 20 3.071 -3.927 6.186 157 H VAL 21 H VAL 21 2.439 -1.068 8.430 158 HA VAL 21 HA VAL 21 3.864 -2.551 10.446 159 HB VAL 21 HB VAL 21 3.240 0.432 10.273 160 1HG1 VAL 21 1HG1 VAL 21 4.011 -0.152 12.528 161 2HG1 VAL 21 2HG1 VAL 21 5.286 -1.201 11.864 162 3HG1 VAL 21 3HG1 VAL 21 5.386 0.549 11.671 163 1HG2 VAL 21 1HG2 VAL 21 5.823 -0.884 9.390 164 2HG2 VAL 21 2HG2 VAL 21 4.528 -0.415 8.259 165 3HG2 VAL 21 3HG2 VAL 21 5.349 0.805 9.238 166 H ASP 22 H ASP 22 1.079 -0.354 10.598 167 HA ASP 22 HA ASP 22 0.595 -0.369 13.358 168 1HB ASP 22 2HB ASP 22 -0.500 1.200 11.828 169 2HB ASP 22 3HB ASP 22 -1.342 -0.128 11.009 170 H GLU 23 H GLU 23 -0.778 -2.468 10.756 171 HA GLU 23 HA GLU 23 -2.475 -3.848 12.625 172 1HB GLU 23 2HB GLU 23 -2.680 -3.462 10.073 173 2HB GLU 23 3HB GLU 23 -1.700 -4.929 9.886 174 1HG GLU 23 2HG GLU 23 -4.276 -4.614 11.478 175 2HG GLU 23 3HG GLU 23 -4.200 -5.068 9.764 176 H GLU 24 H GLU 24 0.626 -4.599 10.972 177 HA GLU 24 HA GLU 24 0.938 -7.123 12.161 178 1HB GLU 24 2HB GLU 24 2.252 -6.360 10.210 179 2HB GLU 24 3HB GLU 24 3.117 -5.187 11.233 180 1HG GLU 24 2HG GLU 24 4.424 -7.214 10.770 181 2HG GLU 24 3HG GLU 24 4.113 -6.964 12.500 182 H ASN 25 H ASN 25 1.652 -3.884 13.509 183 HA ASN 25 HA ASN 25 2.949 -4.869 15.892 184 1HB ASN 25 2HB ASN 25 1.697 -2.264 14.987 185 2HB ASN 25 3HB ASN 25 1.932 -2.549 16.695 186 1HD2 ASN 25 2HD2 ASN 25 3.709 -2.623 13.597 187 2HD2 ASN 25 1HD2 ASN 25 5.273 -2.185 14.295 188 H LYS 26 H LYS 26 -0.422 -3.925 15.089 189 HA LYS 26 HA LYS 26 -1.549 -4.279 17.625 190 1HB LYS 26 2HB LYS 26 -2.689 -3.167 15.831 191 2HB LYS 26 3HB LYS 26 -2.763 -4.630 14.851 192 1HG LYS 26 2HG LYS 26 -4.012 -4.725 17.587 193 2HG LYS 26 3HG LYS 26 -4.817 -3.753 16.347 194 1HD LYS 26 2HD LYS 26 -4.977 -5.614 14.816 195 2HD LYS 26 3HD LYS 26 -4.052 -6.670 15.885 196 1HE LYS 26 2HE LYS 26 -6.744 -5.441 16.621 197 2HE LYS 26 3HE LYS 26 -6.512 -7.070 15.966 198 1HZ LYS 26 1HZ LYS 26 -5.127 -7.575 17.847 199 2HZ LYS 26 2HZ LYS 26 -5.392 -6.084 18.490 200 3HZ LYS 26 3HZ LYS 26 -6.646 -7.139 18.318 201 H ILE 27 H ILE 27 -0.934 -6.708 15.076 202 HA ILE 27 HA ILE 27 -1.936 -8.857 16.860 203 HB ILE 27 HB ILE 27 -0.798 -8.957 14.049 204 1HG1 ILE 27 2HG1 ILE 27 -3.607 -9.236 15.226 205 2HG1 ILE 27 3HG1 ILE 27 -3.000 -7.927 14.196 206 1HG2 ILE 27 1HG2 ILE 27 -0.169 -11.013 15.090 207 2HG2 ILE 27 2HG2 ILE 27 -1.689 -11.118 16.003 208 3HG2 ILE 27 3HG2 ILE 27 -1.672 -11.373 14.259 209 1HD1 ILE 27 1HD1 ILE 27 -2.644 -9.615 12.357 210 2HD1 ILE 27 2HD1 ILE 27 -3.536 -10.795 13.358 211 3HD1 ILE 27 3HD1 ILE 27 -4.332 -9.322 12.827 212 H GLY 28 H GLY 28 1.228 -8.241 15.212 213 1HA GLY 28 2HA GLY 28 3.353 -8.670 15.966 214 2HA GLY 28 3HA GLY 28 2.720 -9.271 17.498 215 H GLN 29 H GLN 29 2.748 -10.179 13.989 216 HA GLN 29 HA GLN 29 3.075 -13.061 14.694 217 1HB GLN 29 2HB GLN 29 2.232 -11.577 12.217 218 2HB GLN 29 3HB GLN 29 3.364 -12.897 11.987 219 1HG GLN 29 2HG GLN 29 1.503 -14.042 11.668 220 2HG GLN 29 3HG GLN 29 1.794 -14.384 13.369 221 1HE2 GLN 29 2HE2 GLN 29 0.206 -11.759 11.400 222 2HE2 GLN 29 1HE2 GLN 29 -1.299 -11.821 12.295 223 H TYR 30 H TYR 30 4.580 -10.830 12.386 224 HA TYR 30 HA TYR 30 7.269 -12.035 12.892 225 1HB TYR 30 2HB TYR 30 7.454 -10.762 10.449 226 2HB TYR 30 3HB TYR 30 7.260 -12.475 10.733 227 HD1 TYR 30 1HD TYR 30 5.486 -9.372 9.678 228 HD2 TYR 30 2HD TYR 30 5.242 -13.653 10.195 229 HE1 TYR 30 1HE TYR 30 3.342 -9.416 8.440 230 HE2 TYR 30 2HE TYR 30 3.105 -13.680 8.957 231 HH TYR 30 HH TYR 30 1.519 -12.424 7.841 232 H GLY 31 H GLY 31 5.549 -8.968 12.264 233 1HA GLY 31 2HA GLY 31 6.197 -6.862 13.244 234 2HA GLY 31 3HA GLY 31 7.835 -7.454 13.484 235 H ARG 32 H ARG 32 6.833 -5.036 11.982 236 HA ARG 32 HA ARG 32 7.163 -5.640 9.179 237 1HB ARG 32 2HB ARG 32 5.692 -3.880 10.561 238 2HB ARG 32 3HB ARG 32 7.033 -2.808 10.195 239 1HG ARG 32 2HG ARG 32 5.437 -4.447 8.162 240 2HG ARG 32 3HG ARG 32 5.000 -2.841 8.633 241 1HD ARG 32 2HD ARG 32 6.103 -2.261 6.750 242 2HD ARG 32 3HD ARG 32 7.409 -2.122 7.919 243 HE ARG 32 HE ARG 32 8.521 -3.691 6.697 244 1HH1 ARG 32 1HH2 ARG 32 5.085 -4.119 6.098 245 2HH1 ARG 32 2HH2 ARG 32 5.287 -5.532 5.086 246 1HH2 ARG 32 1HH1 ARG 32 8.802 -5.530 5.410 247 2HH2 ARG 32 2HH1 ARG 32 7.450 -6.333 4.667 248 H LEU 33 H LEU 33 9.388 -6.449 10.363 249 HA LEU 33 HA LEU 33 11.560 -6.091 11.060 250 1HB LEU 33 2HB LEU 33 11.523 -4.897 8.292 251 2HB LEU 33 3HB LEU 33 13.008 -5.202 9.219 252 HG LEU 33 HG LEU 33 12.685 -6.927 7.623 253 1HD1 LEU 33 1HD1 LEU 33 13.735 -7.458 9.829 254 2HD1 LEU 33 2HD1 LEU 33 12.180 -8.131 10.364 255 3HD1 LEU 33 3HD1 LEU 33 13.023 -8.848 8.985 256 1HD2 LEU 33 1HD2 LEU 33 10.185 -7.900 9.013 257 2HD2 LEU 33 2HD2 LEU 33 10.144 -6.837 7.585 258 3HD2 LEU 33 3HD2 LEU 33 10.903 -8.438 7.488 259 H THR 34 H THR 34 12.822 -3.340 9.813 260 HA THR 34 HA THR 34 12.187 -1.930 12.390 261 HB THR 34 HB THR 34 14.832 -1.958 10.958 262 HG1 THR 34 1HG THR 34 15.382 -3.537 12.528 263 1HG2 THR 34 1HG2 THR 34 14.464 -0.122 12.625 264 2HG2 THR 34 2HG2 THR 34 14.022 -1.336 13.844 265 3HG2 THR 34 3HG2 THR 34 15.672 -1.283 13.194 266 H PHE 35 H PHE 35 10.446 -1.038 10.862 267 HA PHE 35 HA PHE 35 9.652 0.560 9.425 268 1HB PHE 35 2HB PHE 35 11.005 1.702 11.763 269 2HB PHE 35 3HB PHE 35 10.879 2.875 10.479 270 HD1 PHE 35 1HD PHE 35 9.068 1.387 13.160 271 HD2 PHE 35 2HD PHE 35 8.622 3.151 9.246 272 HE1 PHE 35 1HE PHE 35 6.743 2.002 13.698 273 HE2 PHE 35 2HE PHE 35 6.283 3.767 9.791 274 HZ PHE 35 HZ PHE 35 5.356 3.256 12.043 275 H ASN 36 H ASN 36 10.898 -0.421 7.586 276 HA ASN 36 HA ASN 36 13.380 0.907 6.899 277 1HB ASN 36 2HB ASN 36 12.499 -1.194 5.082 278 2HB ASN 36 3HB ASN 36 13.952 -1.025 6.030 279 1HD2 ASN 36 2HD2 ASN 36 10.541 -2.122 6.186 280 2HD2 ASN 36 1HD2 ASN 36 10.682 -3.016 7.698 281 H LYS 37 H LYS 37 11.194 -0.032 4.186 282 HA LYS 37 HA LYS 37 9.783 2.351 3.991 283 1HB LYS 37 2HB LYS 37 10.838 3.426 2.015 284 2HB LYS 37 3HB LYS 37 11.798 3.627 3.448 285 1HG LYS 37 2HG LYS 37 12.452 1.196 1.844 286 2HG LYS 37 3HG LYS 37 12.658 2.710 0.980 287 1HD LYS 37 2HD LYS 37 13.802 2.640 3.765 288 2HD LYS 37 3HD LYS 37 14.581 1.571 2.607 289 1HE LYS 37 2HE LYS 37 14.127 4.539 2.083 290 2HE LYS 37 3HE LYS 37 15.600 3.869 2.802 291 1HZ LYS 37 1HZ LYS 37 15.907 2.536 0.857 292 2HZ LYS 37 2HZ LYS 37 14.557 3.164 0.153 293 3HZ LYS 37 3HZ LYS 37 15.852 4.134 0.466 294 H VAL 38 H VAL 38 8.939 2.567 1.578 295 HA VAL 38 HA VAL 38 8.703 -0.120 0.341 296 HB VAL 38 HB VAL 38 6.609 0.632 1.393 297 1HG1 VAL 38 1HG1 VAL 38 6.883 3.088 1.229 298 2HG1 VAL 38 2HG1 VAL 38 6.701 2.994 -0.537 299 3HG1 VAL 38 3HG1 VAL 38 5.352 2.559 0.524 300 1HG2 VAL 38 1HG2 VAL 38 6.396 0.669 -1.638 301 2HG2 VAL 38 2HG2 VAL 38 6.451 -0.774 -0.609 302 3HG2 VAL 38 3HG2 VAL 38 5.092 0.346 -0.486 303 H ILE 39 H ILE 39 8.991 -0.306 -1.881 304 HA ILE 39 HA ILE 39 10.549 1.890 -3.051 305 HB ILE 39 HB ILE 39 10.938 0.504 -4.921 306 1HG1 ILE 39 2HG1 ILE 39 9.954 -1.880 -4.926 307 2HG1 ILE 39 3HG1 ILE 39 8.635 -1.189 -3.954 308 1HG2 ILE 39 1HG2 ILE 39 12.125 -0.025 -2.791 309 2HG2 ILE 39 2HG2 ILE 39 10.949 -1.323 -2.492 310 3HG2 ILE 39 3HG2 ILE 39 12.004 -1.389 -3.911 311 1HD1 ILE 39 1HD1 ILE 39 7.885 0.124 -5.782 312 2HD1 ILE 39 2HD1 ILE 39 9.421 -0.080 -6.673 313 3HD1 ILE 39 3HD1 ILE 39 8.297 -1.435 -6.475 314 H ARG 40 H ARG 40 9.791 2.303 -5.589 315 HA ARG 40 HA ARG 40 6.958 2.545 -5.825 316 1HB ARG 40 2HB ARG 40 7.064 5.082 -6.141 317 2HB ARG 40 3HB ARG 40 7.185 4.484 -4.484 318 1HG ARG 40 2HG ARG 40 9.689 4.752 -4.583 319 2HG ARG 40 3HG ARG 40 9.533 5.376 -6.231 320 1HD ARG 40 2HD ARG 40 9.772 7.196 -4.641 321 2HD ARG 40 3HD ARG 40 8.142 7.246 -5.354 322 HE ARG 40 HE ARG 40 8.089 5.696 -2.957 323 1HH1 ARG 40 1HH2 ARG 40 8.531 9.044 -3.967 324 2HH1 ARG 40 2HH2 ARG 40 7.868 9.732 -2.510 325 1HH2 ARG 40 1HH1 ARG 40 7.204 6.559 -1.051 326 2HH2 ARG 40 2HH1 ARG 40 7.099 8.283 -0.811 327 HA PRO 41 HA PRO 41 5.577 3.474 -7.393 328 1HB PRO 41 2HB PRO 41 4.360 2.803 -9.717 329 2HB PRO 41 3HB PRO 41 5.232 4.349 -9.515 330 1HG PRO 41 2HG PRO 41 6.284 1.796 -10.767 331 2HG PRO 41 3HG PRO 41 6.327 3.449 -11.452 332 1HD PRO 41 2HD PRO 41 8.452 2.352 -10.087 333 2HD PRO 41 3HD PRO 41 8.075 4.093 -9.989 334 H CYS 42 H CYS 42 3.666 1.903 -7.597 335 HA CYS 42 HA CYS 42 4.392 -0.988 -7.374 336 1HB CYS 42 2HB CYS 42 2.532 0.636 -5.635 337 2HB CYS 42 3HB CYS 42 2.631 -1.123 -5.576 338 HG CYS 42 HG CYS 42 3.718 -0.036 -3.468 339 H MET 43 H MET 43 1.839 -2.071 -7.316 340 HA MET 43 HA MET 43 0.171 -0.732 -9.330 341 1HB MET 43 2HB MET 43 2.067 -1.549 -10.642 342 2HB MET 43 3HB MET 43 1.882 -3.171 -9.987 343 1HG MET 43 2HG MET 43 0.150 -3.661 -11.309 344 2HG MET 43 3HG MET 43 -0.541 -2.033 -11.319 345 1HE MET 43 1HE MET 43 1.378 -0.241 -14.160 346 2HE MET 43 2HE MET 43 0.051 -0.149 -12.980 347 3HE MET 43 3HE MET 43 1.743 -0.152 -12.424 348 H LYS 44 H LYS 44 -1.951 -1.491 -9.269 349 HA LYS 44 HA LYS 44 -2.524 -3.761 -7.438 350 1HB LYS 44 2HB LYS 44 -4.353 -2.542 -6.673 351 2HB LYS 44 3HB LYS 44 -3.098 -1.313 -6.884 352 1HG LYS 44 2HG LYS 44 -4.436 -0.113 -8.204 353 2HG LYS 44 3HG LYS 44 -4.560 -1.432 -9.346 354 1HD LYS 44 2HD LYS 44 -6.379 -2.457 -7.822 355 2HD LYS 44 3HD LYS 44 -6.301 -0.964 -6.892 356 1HE LYS 44 2HE LYS 44 -6.741 0.267 -9.145 357 2HE LYS 44 3HE LYS 44 -7.191 -1.344 -9.758 358 1HZ LYS 44 1HZ LYS 44 -8.808 -1.461 -8.003 359 2HZ LYS 44 2HZ LYS 44 -8.410 0.051 -7.487 360 3HZ LYS 44 3HZ LYS 44 -9.075 -0.162 -8.981 361 H LYS 45 H LYS 45 -4.886 -4.612 -7.937 362 HA LYS 45 HA LYS 45 -5.649 -4.647 -10.746 363 1HB LYS 45 2HB LYS 45 -5.288 -6.983 -11.105 364 2HB LYS 45 3HB LYS 45 -3.745 -6.315 -10.617 365 1HG LYS 45 2HG LYS 45 -3.664 -7.576 -8.672 366 2HG LYS 45 3HG LYS 45 -5.351 -7.319 -8.285 367 1HD LYS 45 2HD LYS 45 -5.195 -9.581 -8.692 368 2HD LYS 45 3HD LYS 45 -6.022 -8.867 -10.077 369 1HE LYS 45 2HE LYS 45 -3.831 -8.873 -11.353 370 2HE LYS 45 3HE LYS 45 -3.082 -9.708 -9.982 371 1HZ LYS 45 1HZ LYS 45 -4.631 -11.497 -10.319 372 2HZ LYS 45 2HZ LYS 45 -5.335 -10.703 -11.582 373 3HZ LYS 45 3HZ LYS 45 -3.773 -11.210 -11.697 374 H THR 46 H THR 46 -7.386 -6.569 -10.920 375 HA THR 46 HA THR 46 -9.022 -6.739 -8.453 376 HB THR 46 HB THR 46 -10.066 -5.378 -10.161 377 HG1 THR 46 1HG THR 46 -11.231 -6.944 -8.787 378 1HG2 THR 46 1HG2 THR 46 -9.092 -6.355 -12.230 379 2HG2 THR 46 2HG2 THR 46 -10.062 -7.820 -11.990 380 3HG2 THR 46 3HG2 THR 46 -10.857 -6.271 -12.286 381 H ILE 47 H ILE 47 -9.255 -8.788 -7.656 382 HA ILE 47 HA ILE 47 -8.199 -11.043 -9.267 383 HB ILE 47 HB ILE 47 -7.011 -10.646 -7.262 384 1HG1 ILE 47 2HG1 ILE 47 -8.795 -13.099 -6.841 385 2HG1 ILE 47 3HG1 ILE 47 -7.577 -12.997 -8.111 386 1HG2 ILE 47 1HG2 ILE 47 -8.443 -9.444 -5.869 387 2HG2 ILE 47 2HG2 ILE 47 -9.716 -10.662 -5.938 388 3HG2 ILE 47 3HG2 ILE 47 -8.240 -10.981 -5.018 389 1HD1 ILE 47 1HD1 ILE 47 -5.802 -12.591 -6.409 390 2HD1 ILE 47 2HD1 ILE 47 -7.003 -12.812 -5.117 391 3HD1 ILE 47 3HD1 ILE 47 -6.621 -14.150 -6.207 392 H TYR 48 H TYR 48 -9.274 -13.006 -9.325 393 HA TYR 48 HA TYR 48 -12.228 -12.967 -9.050 394 1HB TYR 48 2HB TYR 48 -10.491 -13.361 -11.527 395 2HB TYR 48 3HB TYR 48 -12.005 -14.224 -11.315 396 HD1 TYR 48 1HD TYR 48 -10.860 -10.772 -11.232 397 HD2 TYR 48 2HD TYR 48 -13.849 -13.578 -12.404 398 HE1 TYR 48 1HE TYR 48 -12.142 -8.913 -12.379 399 HE2 TYR 48 2HE TYR 48 -15.040 -11.829 -13.673 400 HH TYR 48 HH TYR 48 -14.109 -8.401 -13.512 401 H GLU 49 H GLU 49 -12.923 -15.184 -9.826 402 HA GLU 49 HA GLU 49 -11.413 -17.430 -8.607 403 1HB GLU 49 2HB GLU 49 -14.353 -16.952 -9.297 404 2HB GLU 49 3HB GLU 49 -13.744 -18.484 -8.706 405 1HG GLU 49 2HG GLU 49 -12.636 -16.506 -6.934 406 2HG GLU 49 3HG GLU 49 -14.267 -15.936 -7.250 407 H ASN 50 H ASN 50 -10.121 -16.803 -10.550 408 HA ASN 50 HA ASN 50 -10.890 -17.422 -13.195 409 1HB ASN 50 2HB ASN 50 -8.622 -16.446 -12.195 410 2HB ASN 50 3HB ASN 50 -8.097 -18.129 -12.240 411 1HD2 ASN 50 2HD2 ASN 50 -6.937 -18.536 -14.160 412 2HD2 ASN 50 1HD2 ASN 50 -7.296 -17.739 -15.681 413 H GLU 51 H GLU 51 -11.646 -19.286 -13.998 414 HA GLU 51 HA GLU 51 -11.987 -21.481 -14.442 415 1HB GLU 51 2HB GLU 51 -9.558 -21.938 -13.667 416 2HB GLU 51 3HB GLU 51 -10.278 -22.431 -12.127 417 1HG GLU 51 2HG GLU 51 -10.911 -23.630 -14.866 418 2HG GLU 51 3HG GLU 51 -9.834 -24.328 -13.653 419 H GLY 52 H GLY 52 -14.011 -22.111 -13.910 420 1HA GLY 52 2HA GLY 52 -15.787 -22.801 -12.629 421 2HA GLY 52 3HA GLY 52 -14.837 -22.539 -11.168 422 H PHE 53 H PHE 53 -16.950 -21.087 -13.547 423 HA PHE 53 HA PHE 53 -17.052 -18.471 -13.189 424 1HB PHE 53 2HB PHE 53 -19.380 -18.513 -13.765 425 2HB PHE 53 3HB PHE 53 -18.517 -19.725 -14.690 426 HD1 PHE 53 1HD PHE 53 -21.190 -19.087 -12.288 427 HD2 PHE 53 2HD PHE 53 -18.803 -22.205 -14.086 428 HE1 PHE 53 1HE PHE 53 -22.749 -20.793 -11.415 429 HE2 PHE 53 2HE PHE 53 -20.346 -23.905 -13.166 430 HZ PHE 53 HZ PHE 53 -22.319 -23.206 -11.824 431 H ARG 54 H ARG 54 -17.245 -17.080 -11.626 432 HA ARG 54 HA ARG 54 -19.015 -17.423 -9.299 433 1HB ARG 54 2HB ARG 54 -16.279 -18.199 -9.071 434 2HB ARG 54 3HB ARG 54 -16.325 -16.549 -8.457 435 1HG ARG 54 2HG ARG 54 -16.871 -17.537 -6.520 436 2HG ARG 54 3HG ARG 54 -18.509 -17.507 -7.174 437 1HD ARG 54 2HD ARG 54 -18.005 -19.796 -8.231 438 2HD ARG 54 3HD ARG 54 -16.465 -19.789 -7.346 439 HE ARG 54 HE ARG 54 -18.622 -19.354 -5.526 440 1HH1 ARG 54 1HH2 ARG 54 -17.178 -21.852 -7.551 441 2HH1 ARG 54 2HH2 ARG 54 -17.779 -23.191 -6.610 442 1HH2 ARG 54 1HH1 ARG 54 -19.470 -21.090 -4.294 443 2HH2 ARG 54 2HH1 ARG 54 -19.119 -22.743 -4.722 444 H GLU 55 H GLU 55 -18.446 -15.344 -7.845 445 HA GLU 55 HA GLU 55 -18.635 -12.994 -9.558 446 1HB GLU 55 2HB GLU 55 -19.852 -13.621 -7.229 447 2HB GLU 55 3HB GLU 55 -18.438 -12.776 -6.594 448 1HG GLU 55 2HG GLU 55 -20.160 -11.161 -6.839 449 2HG GLU 55 3HG GLU 55 -19.088 -10.843 -8.204 450 H ILE 56 H ILE 56 -17.209 -11.041 -8.749 451 HA ILE 56 HA ILE 56 -14.420 -11.718 -8.941 452 HB ILE 56 HB ILE 56 -15.945 -9.163 -8.303 453 1HG1 ILE 56 2HG1 ILE 56 -14.527 -8.792 -10.681 454 2HG1 ILE 56 3HG1 ILE 56 -15.019 -10.487 -10.769 455 1HG2 ILE 56 1HG2 ILE 56 -13.736 -8.925 -7.260 456 2HG2 ILE 56 2HG2 ILE 56 -12.959 -9.354 -8.808 457 3HG2 ILE 56 3HG2 ILE 56 -13.903 -7.866 -8.651 458 1HD1 ILE 56 1HD1 ILE 56 -17.388 -9.786 -10.411 459 2HD1 ILE 56 2HD1 ILE 56 -16.844 -8.092 -10.325 460 3HD1 ILE 56 3HD1 ILE 56 -16.658 -9.011 -11.830 461 H LYS 57 H LYS 57 -12.787 -11.574 -7.367 462 HA LYS 57 HA LYS 57 -13.800 -12.377 -4.743 463 1HB LYS 57 2HB LYS 57 -12.093 -13.659 -6.063 464 2HB LYS 57 3HB LYS 57 -10.914 -12.413 -5.708 465 1HG LYS 57 2HG LYS 57 -10.676 -13.067 -3.516 466 2HG LYS 57 3HG LYS 57 -12.399 -13.327 -3.312 467 1HD LYS 57 2HD LYS 57 -11.933 -15.467 -4.897 468 2HD LYS 57 3HD LYS 57 -10.287 -15.243 -4.296 469 1HE LYS 57 2HE LYS 57 -11.423 -16.809 -2.854 470 2HE LYS 57 3HE LYS 57 -11.299 -15.298 -1.934 471 1HZ LYS 57 1HZ LYS 57 -13.576 -14.834 -2.595 472 2HZ LYS 57 2HZ LYS 57 -13.653 -16.245 -3.442 473 3HZ LYS 57 3HZ LYS 57 -13.482 -16.273 -1.803 474 H GLY 58 H GLY 58 -11.785 -9.812 -6.274 475 1HA GLY 58 2HA GLY 58 -12.885 -7.691 -4.992 476 2HA GLY 58 3HA GLY 58 -11.710 -8.247 -3.789 477 H TYR 59 H TYR 59 -10.818 -6.146 -4.073 478 HA TYR 59 HA TYR 59 -9.102 -5.795 -6.475 479 1HB TYR 59 2HB TYR 59 -9.568 -4.032 -4.023 480 2HB TYR 59 3HB TYR 59 -8.320 -3.728 -5.200 481 HD1 TYR 59 1HD TYR 59 -9.105 -3.840 -7.722 482 HD2 TYR 59 2HD TYR 59 -11.727 -2.994 -4.429 483 HE1 TYR 59 1HE TYR 59 -10.748 -2.857 -9.305 484 HE2 TYR 59 2HE TYR 59 -13.409 -2.091 -6.009 485 HH TYR 59 HH TYR 59 -13.907 -1.601 -8.224 486 H GLU 60 H GLU 60 -6.811 -5.854 -6.295 487 HA GLU 60 HA GLU 60 -5.744 -6.663 -3.677 488 1HB GLU 60 2HB GLU 60 -5.592 -8.299 -6.138 489 2HB GLU 60 3HB GLU 60 -4.012 -7.745 -5.552 490 1HG GLU 60 2HG GLU 60 -4.567 -8.610 -3.271 491 2HG GLU 60 3HG GLU 60 -6.109 -9.217 -3.921 492 H TYR 61 H TYR 61 -3.951 -5.567 -3.210 493 HA TYR 61 HA TYR 61 -2.753 -3.693 -5.230 494 1HB TYR 61 2HB TYR 61 -2.548 -3.635 -2.196 495 2HB TYR 61 3HB TYR 61 -1.879 -2.465 -3.335 496 HD1 TYR 61 1HD TYR 61 -4.775 -3.389 -1.378 497 HD2 TYR 61 2HD TYR 61 -3.515 -1.170 -4.816 498 HE1 TYR 61 1HE TYR 61 -6.879 -2.109 -1.369 499 HE2 TYR 61 2HE TYR 61 -5.803 -0.140 -4.972 500 HH TYR 61 HH TYR 61 -8.433 -0.998 -2.815 501 H GLN 62 H GLN 62 -0.708 -4.419 -5.934 502 HA GLN 62 HA GLN 62 0.722 -6.395 -4.207 503 1HB GLN 62 2HB GLN 62 0.227 -7.255 -6.417 504 2HB GLN 62 3HB GLN 62 0.877 -5.807 -7.194 505 1HG GLN 62 2HG GLN 62 2.620 -7.502 -5.373 506 2HG GLN 62 3HG GLN 62 2.359 -7.957 -7.058 507 1HE2 GLN 62 2HE2 GLN 62 2.779 -6.188 -8.742 508 2HE2 GLN 62 1HE2 GLN 62 4.152 -5.143 -8.427 509 H LEU 63 H LEU 63 2.409 -5.484 -3.086 510 HA LEU 63 HA LEU 63 3.767 -3.206 -4.330 511 1HB LEU 63 2HB LEU 63 3.604 -1.824 -2.304 512 2HB LEU 63 3HB LEU 63 2.075 -2.095 -3.142 513 HG LEU 63 HG LEU 63 1.818 -4.056 -1.328 514 1HD1 LEU 63 1HD1 LEU 63 4.055 -3.629 -0.257 515 2HD1 LEU 63 2HD1 LEU 63 3.537 -1.970 0.106 516 3HD1 LEU 63 3HD1 LEU 63 2.706 -3.346 0.856 517 1HD2 LEU 63 1HD2 LEU 63 1.297 -1.123 -0.780 518 2HD2 LEU 63 2HD2 LEU 63 0.286 -2.242 -1.729 519 3HD2 LEU 63 3HD2 LEU 63 0.511 -2.520 0.003 520 H TYR 64 H TYR 64 5.641 -2.576 -3.286 521 HA TYR 64 HA TYR 64 7.153 -4.976 -2.388 522 1HB TYR 64 2HB TYR 64 7.360 -2.962 -4.579 523 2HB TYR 64 3HB TYR 64 8.864 -3.515 -3.835 524 HD1 TYR 64 1HD TYR 64 8.661 -6.312 -3.333 525 HD2 TYR 64 2HD TYR 64 6.924 -4.110 -6.616 526 HE1 TYR 64 1HE TYR 64 8.338 -8.407 -4.565 527 HE2 TYR 64 2HE TYR 64 6.673 -6.228 -7.880 528 HH TYR 64 HH TYR 64 7.529 -9.398 -6.480 529 H VAL 65 H VAL 65 6.866 -4.450 -0.259 530 HA VAL 65 HA VAL 65 8.002 -1.982 0.787 531 HB VAL 65 HB VAL 65 6.029 -2.820 1.760 532 1HG1 VAL 65 1HG1 VAL 65 6.270 -5.243 1.403 533 2HG1 VAL 65 2HG1 VAL 65 7.533 -5.299 2.640 534 3HG1 VAL 65 3HG1 VAL 65 5.870 -4.834 3.062 535 1HG2 VAL 65 1HG2 VAL 65 8.342 -3.046 3.710 536 2HG2 VAL 65 2HG2 VAL 65 7.661 -1.527 3.092 537 3HG2 VAL 65 3HG2 VAL 65 6.658 -2.600 4.070 538 H TYR 66 H TYR 66 10.137 -1.740 1.248 539 HA TYR 66 HA TYR 66 11.948 -4.017 0.941 540 1HB TYR 66 2HB TYR 66 12.464 -1.662 0.096 541 2HB TYR 66 3HB TYR 66 12.555 -1.166 1.773 542 HD1 TYR 66 1HD TYR 66 13.904 -4.036 -0.198 543 HD2 TYR 66 2HD TYR 66 14.807 -0.735 2.378 544 HE1 TYR 66 1HE TYR 66 16.315 -4.417 -0.596 545 HE2 TYR 66 2HE TYR 66 17.225 -1.074 1.950 546 HH TYR 66 HH TYR 66 18.823 -3.062 1.020 547 H ALA 67 H ALA 67 12.719 -5.118 2.737 548 HA ALA 67 HA ALA 67 12.525 -3.856 5.391 549 1HB ALA 67 1HB ALA 67 10.653 -4.898 6.051 550 2HB ALA 67 2HB ALA 67 10.454 -5.571 4.424 551 3HB ALA 67 3HB ALA 67 11.357 -6.476 5.653 552 H SER 68 H SER 68 13.999 -4.757 6.835 553 HA SER 68 HA SER 68 15.961 -5.615 7.420 554 1HB SER 68 2HB SER 68 14.702 -7.983 6.185 555 2HB SER 68 3HB SER 68 16.470 -8.027 6.206 556 HG SER 68 HG SER 68 15.641 -8.828 8.143 557 H ASP 69 H ASP 69 15.803 -6.797 4.084 558 HA ASP 69 HA ASP 69 17.182 -4.758 2.908 559 1HB ASP 69 2HB ASP 69 19.174 -5.749 4.218 560 2HB ASP 69 3HB ASP 69 18.981 -7.203 3.235 561 H LYS 70 H LYS 70 14.866 -6.517 2.522 562 HA LYS 70 HA LYS 70 15.441 -7.476 -0.224 563 1HB LYS 70 2HB LYS 70 14.193 -9.085 2.045 564 2HB LYS 70 3HB LYS 70 13.878 -9.439 0.350 565 1HG LYS 70 2HG LYS 70 15.728 -10.626 0.160 566 2HG LYS 70 3HG LYS 70 16.718 -9.228 0.576 567 1HD LYS 70 2HD LYS 70 16.452 -9.758 2.995 568 2HD LYS 70 3HD LYS 70 15.407 -11.128 2.576 569 1HE LYS 70 2HE LYS 70 17.664 -11.941 3.043 570 2HE LYS 70 3HE LYS 70 17.283 -12.192 1.333 571 1HZ LYS 70 1HZ LYS 70 18.551 -10.224 0.833 572 2HZ LYS 70 2HZ LYS 70 18.886 -9.982 2.426 573 3HZ LYS 70 3HZ LYS 70 19.474 -11.312 1.651 574 H LEU 71 H LEU 71 13.652 -7.584 -1.527 575 HA LEU 71 HA LEU 71 11.373 -5.781 -0.941 576 1HB LEU 71 2HB LEU 71 12.559 -7.222 -3.326 577 2HB LEU 71 3HB LEU 71 10.871 -6.774 -3.377 578 HG LEU 71 HG LEU 71 11.262 -4.541 -3.629 579 1HD1 LEU 71 1HD1 LEU 71 12.401 -3.973 -1.661 580 2HD1 LEU 71 2HD1 LEU 71 13.897 -4.829 -2.206 581 3HD1 LEU 71 3HD1 LEU 71 13.345 -3.345 -3.007 582 1HD2 LEU 71 1HD2 LEU 71 13.896 -5.703 -4.540 583 2HD2 LEU 71 2HD2 LEU 71 12.372 -5.858 -5.456 584 3HD2 LEU 71 3HD2 LEU 71 13.105 -4.253 -5.197 585 H PHE 72 H PHE 72 10.805 -7.150 0.892 586 HA PHE 72 HA PHE 72 9.678 -9.808 0.453 587 1HB PHE 72 2HB PHE 72 9.128 -7.594 2.460 588 2HB PHE 72 3HB PHE 72 8.242 -9.091 2.457 589 HD1 PHE 72 1HD PHE 72 11.196 -7.521 3.557 590 HD2 PHE 72 2HD PHE 72 9.476 -11.345 2.695 591 HE1 PHE 72 1HE PHE 72 12.945 -8.607 4.983 592 HE2 PHE 72 2HE PHE 72 11.205 -12.449 4.096 593 HZ PHE 72 HZ PHE 72 12.953 -11.089 5.224 594 H ARG 73 H ARG 73 8.097 -10.147 -1.090 595 HA ARG 73 HA ARG 73 6.626 -7.956 -2.215 596 1HB ARG 73 2HB ARG 73 7.139 -10.110 -3.453 597 2HB ARG 73 3HB ARG 73 5.988 -10.927 -2.379 598 1HG ARG 73 2HG ARG 73 4.240 -9.245 -3.105 599 2HG ARG 73 3HG ARG 73 5.382 -8.590 -4.273 600 1HD ARG 73 2HD ARG 73 5.306 -10.550 -5.614 601 2HD ARG 73 3HD ARG 73 4.742 -11.567 -4.266 602 HE ARG 73 HE ARG 73 2.708 -9.772 -4.556 603 1HH1 ARG 73 1HH2 ARG 73 4.212 -12.249 -6.570 604 2HH1 ARG 73 2HH2 ARG 73 2.733 -12.674 -7.389 605 1HH2 ARG 73 1HH1 ARG 73 0.796 -10.249 -5.652 606 2HH2 ARG 73 2HH1 ARG 73 0.748 -11.517 -6.848 607 H ALA 74 H ALA 74 4.732 -7.047 -1.332 608 HA ALA 74 HA ALA 74 3.251 -8.709 0.658 609 1HB ALA 74 1HB ALA 74 4.531 -7.123 1.940 610 2HB ALA 74 2HB ALA 74 4.001 -5.786 0.891 611 3HB ALA 74 3HB ALA 74 2.826 -6.633 1.902 612 H ASP 75 H ASP 75 1.100 -8.912 0.059 613 HA ASP 75 HA ASP 75 0.098 -6.935 -1.915 614 1HB ASP 75 2HB ASP 75 -0.613 -9.871 -1.549 615 2HB ASP 75 3HB ASP 75 -1.518 -8.742 -2.571 616 H ILE 76 H ILE 76 -2.249 -6.463 -1.584 617 HA ILE 76 HA ILE 76 -3.371 -7.382 1.011 618 HB ILE 76 HB ILE 76 -3.096 -4.490 0.160 619 1HG1 ILE 76 2HG1 ILE 76 -1.339 -5.242 1.682 620 2HG1 ILE 76 3HG1 ILE 76 -2.425 -4.133 2.514 621 1HG2 ILE 76 1HG2 ILE 76 -5.434 -4.617 0.589 622 2HG2 ILE 76 2HG2 ILE 76 -5.218 -5.652 2.002 623 3HG2 ILE 76 3HG2 ILE 76 -4.717 -3.951 2.052 624 1HD1 ILE 76 1HD1 ILE 76 -3.644 -6.243 3.402 625 2HD1 ILE 76 2HD1 ILE 76 -2.201 -7.128 2.898 626 3HD1 ILE 76 3HD1 ILE 76 -2.071 -5.847 4.082 627 H SER 77 H SER 77 -5.263 -8.275 0.607 628 HA SER 77 HA SER 77 -6.589 -7.810 -1.969 629 1HB SER 77 2HB SER 77 -7.156 -9.721 0.299 630 2HB SER 77 3HB SER 77 -7.911 -9.766 -1.294 631 HG SER 77 HG SER 77 -5.912 -10.389 -2.157 632 H GLU 78 H GLU 78 -8.876 -7.222 -1.952 633 HA GLU 78 HA GLU 78 -9.898 -6.125 0.596 634 1HB GLU 78 2HB GLU 78 -10.309 -5.091 -2.250 635 2HB GLU 78 3HB GLU 78 -11.123 -4.468 -0.822 636 1HG GLU 78 2HG GLU 78 -8.692 -4.128 0.137 637 2HG GLU 78 3HG GLU 78 -8.199 -4.249 -1.556 638 H ASP 79 H ASP 79 -12.249 -6.012 0.668 639 HA ASP 79 HA ASP 79 -13.410 -8.600 -0.182 640 1HB ASP 79 2HB ASP 79 -13.707 -7.918 2.144 641 2HB ASP 79 3HB ASP 79 -14.411 -6.376 1.644 642 H TYR 80 H TYR 80 -13.923 -8.402 -2.388 643 HA TYR 80 HA TYR 80 -14.838 -6.449 -3.937 644 1HB TYR 80 2HB TYR 80 -14.684 -8.819 -4.664 645 2HB TYR 80 3HB TYR 80 -16.108 -9.210 -3.728 646 HD1 TYR 80 1HD TYR 80 -18.037 -9.504 -5.034 647 HD2 TYR 80 2HD TYR 80 -15.096 -6.604 -6.288 648 HE1 TYR 80 1HE TYR 80 -19.505 -8.805 -6.908 649 HE2 TYR 80 2HE TYR 80 -16.538 -5.959 -8.184 650 HH TYR 80 HH TYR 80 -18.528 -6.340 -9.293 651 H LYS 81 H LYS 81 -17.044 -8.114 -1.653 652 HA LYS 81 HA LYS 81 -19.487 -7.002 -2.429 653 1HB LYS 81 2HB LYS 81 -19.453 -8.767 -0.885 654 2HB LYS 81 3HB LYS 81 -18.368 -7.932 0.229 655 1HG LYS 81 2HG LYS 81 -21.055 -6.677 -0.280 656 2HG LYS 81 3HG LYS 81 -21.002 -8.155 0.683 657 1HD LYS 81 2HD LYS 81 -19.515 -7.232 2.312 658 2HD LYS 81 3HD LYS 81 -19.162 -5.825 1.329 659 1HE LYS 81 2HE LYS 81 -21.619 -5.169 1.496 660 2HE LYS 81 3HE LYS 81 -21.797 -6.456 2.707 661 1HZ LYS 81 1HZ LYS 81 -20.057 -5.324 3.967 662 2HZ LYS 81 2HZ LYS 81 -19.995 -4.139 2.814 663 3HZ LYS 81 3HZ LYS 81 -21.362 -4.348 3.714 664 H THR 82 H THR 82 -16.916 -5.522 -0.472 665 HA THR 82 HA THR 82 -18.120 -2.910 -1.188 666 HB THR 82 HB THR 82 -17.476 -3.800 1.655 667 HG1 THR 82 1HG THR 82 -19.666 -3.691 0.157 668 1HG2 THR 82 1HG2 THR 82 -16.628 -1.551 1.518 669 2HG2 THR 82 2HG2 THR 82 -17.998 -1.064 0.484 670 3HG2 THR 82 3HG2 THR 82 -18.251 -1.482 2.209 671 H ARG 83 H ARG 83 -15.484 -3.210 1.074 672 HA ARG 83 HA ARG 83 -13.293 -3.028 -0.714 673 1HB ARG 83 2HB ARG 83 -14.866 -0.657 -0.708 674 2HB ARG 83 3HB ARG 83 -13.445 -0.299 0.259 675 1HG ARG 83 2HG ARG 83 -11.991 -1.157 -1.559 676 2HG ARG 83 3HG ARG 83 -13.430 -1.453 -2.552 677 1HD ARG 83 2HD ARG 83 -12.518 1.243 -1.441 678 2HD ARG 83 3HD ARG 83 -12.278 0.718 -3.101 679 HE ARG 83 HE ARG 83 -14.693 1.780 -1.887 680 1HH1 ARG 83 1HH2 ARG 83 -13.540 -0.318 -4.472 681 2HH1 ARG 83 2HH2 ARG 83 -14.945 -0.091 -5.484 682 1HH2 ARG 83 1HH1 ARG 83 -16.540 2.080 -3.184 683 2HH2 ARG 83 2HH1 ARG 83 -16.682 1.289 -4.729 684 H GLY 84 H GLY 84 -13.811 -4.515 1.405 685 1HA GLY 84 2HA GLY 84 -12.726 -3.474 3.888 686 2HA GLY 84 3HA GLY 84 -12.989 -5.180 3.472 687 H ARG 85 H ARG 85 -10.695 -5.119 4.646 688 HA ARG 85 HA ARG 85 -8.697 -5.288 2.488 689 1HB ARG 85 2HB ARG 85 -7.139 -4.544 4.624 690 2HB ARG 85 3HB ARG 85 -7.576 -3.563 3.238 691 1HG ARG 85 2HG ARG 85 -7.838 -2.254 5.130 692 2HG ARG 85 3HG ARG 85 -9.446 -2.542 4.492 693 1HD ARG 85 2HD ARG 85 -8.315 -4.313 6.710 694 2HD ARG 85 3HD ARG 85 -8.848 -2.691 7.129 695 HE ARG 85 HE ARG 85 -10.482 -4.975 6.716 696 1HH1 ARG 85 1HH2 ARG 85 -10.432 -1.497 6.128 697 2HH1 ARG 85 2HH2 ARG 85 -12.160 -1.293 6.222 698 1HH2 ARG 85 1HH1 ARG 85 -12.763 -4.733 6.870 699 2HH2 ARG 85 2HH1 ARG 85 -13.502 -3.172 6.650 700 H LYS 86 H LYS 86 -7.366 -7.053 2.674 701 HA LYS 86 HA LYS 86 -7.491 -8.606 5.163 702 1HB LYS 86 2HB LYS 86 -8.212 -9.506 2.401 703 2HB LYS 86 3HB LYS 86 -7.270 -10.637 3.371 704 1HG LYS 86 2HG LYS 86 -9.883 -9.391 4.337 705 2HG LYS 86 3HG LYS 86 -9.753 -10.910 3.454 706 1HD LYS 86 2HD LYS 86 -9.884 -11.624 5.616 707 2HD LYS 86 3HD LYS 86 -8.161 -11.755 5.287 708 1HE LYS 86 2HE LYS 86 -7.643 -9.962 6.789 709 2HE LYS 86 3HE LYS 86 -9.262 -9.254 6.648 710 1HZ LYS 86 1HZ LYS 86 -10.087 -11.150 7.863 711 2HZ LYS 86 2HZ LYS 86 -8.563 -11.765 7.999 712 3HZ LYS 86 3HZ LYS 86 -8.944 -10.333 8.721 713 H LEU 87 H LEU 87 -5.715 -9.552 5.802 714 HA LEU 87 HA LEU 87 -3.253 -8.374 4.952 715 1HB LEU 87 2HB LEU 87 -4.100 -9.002 7.266 716 2HB LEU 87 3HB LEU 87 -3.700 -10.678 6.906 717 HG LEU 87 HG LEU 87 -1.753 -8.322 6.875 718 1HD1 LEU 87 1HD1 LEU 87 -2.723 -8.769 9.113 719 2HD1 LEU 87 2HD1 LEU 87 -2.185 -10.455 9.008 720 3HD1 LEU 87 3HD1 LEU 87 -0.991 -9.139 9.054 721 1HD2 LEU 87 1HD2 LEU 87 -1.257 -11.346 6.839 722 2HD2 LEU 87 2HD2 LEU 87 -0.901 -10.225 5.512 723 3HD2 LEU 87 3HD2 LEU 87 -0.007 -10.102 7.026 724 H LEU 88 H LEU 88 -2.861 -9.012 2.854 725 HA LEU 88 HA LEU 88 -2.056 -11.844 2.400 726 1HB LEU 88 2HB LEU 88 -3.790 -10.201 0.929 727 2HB LEU 88 3HB LEU 88 -2.279 -10.019 0.068 728 HG LEU 88 HG LEU 88 -3.646 -11.743 -0.903 729 1HD1 LEU 88 1HD1 LEU 88 -1.223 -12.123 -1.001 730 2HD1 LEU 88 2HD1 LEU 88 -1.291 -13.063 0.507 731 3HD1 LEU 88 3HD1 LEU 88 -2.124 -13.645 -0.947 732 1HD2 LEU 88 1HD2 LEU 88 -4.933 -12.329 1.157 733 2HD2 LEU 88 2HD2 LEU 88 -4.396 -13.729 0.213 734 3HD2 LEU 88 3HD2 LEU 88 -3.558 -13.306 1.712 735 H ARG 89 H ARG 89 -0.747 -9.313 3.679 736 HA ARG 89 HA ARG 89 1.478 -8.776 1.934 737 1HB ARG 89 2HB ARG 89 2.303 -7.440 3.930 738 2HB ARG 89 3HB ARG 89 0.861 -6.905 3.057 739 1HG ARG 89 2HG ARG 89 -0.583 -7.691 4.836 740 2HG ARG 89 3HG ARG 89 0.833 -8.324 5.710 741 1HD ARG 89 2HD ARG 89 0.123 -6.155 6.572 742 2HD ARG 89 3HD ARG 89 1.751 -6.055 5.917 743 HE ARG 89 HE ARG 89 -0.681 -4.681 5.003 744 1HH1 ARG 89 1HH2 ARG 89 2.647 -5.449 4.111 745 2HH1 ARG 89 2HH2 ARG 89 2.732 -4.204 2.892 746 1HH2 ARG 89 1HH1 ARG 89 -0.564 -3.076 3.458 747 2HH2 ARG 89 2HH1 ARG 89 0.866 -2.872 2.493 748 H PHE 90 H PHE 90 3.682 -8.786 2.865 749 HA PHE 90 HA PHE 90 5.547 -9.925 3.467 750 1HB PHE 90 2HB PHE 90 3.600 -10.269 5.652 751 2HB PHE 90 3HB PHE 90 4.819 -11.521 5.625 752 HD1 PHE 90 1HD PHE 90 4.184 -7.957 6.126 753 HD2 PHE 90 2HD PHE 90 7.194 -11.031 5.962 754 HE1 PHE 90 1HE PHE 90 5.632 -6.630 7.667 755 HE2 PHE 90 2HE PHE 90 8.737 -9.593 7.256 756 HZ PHE 90 HZ PHE 90 7.985 -7.377 8.058 757 H ASN 91 H ASN 91 5.457 -11.020 1.390 758 HA ASN 91 HA ASN 91 5.357 -13.953 1.698 759 1HB ASN 91 2HB ASN 91 3.134 -13.005 0.866 760 2HB ASN 91 3HB ASN 91 4.018 -12.446 -0.565 761 1HD2 ASN 91 2HD2 ASN 91 2.091 -13.932 -1.371 762 2HD2 ASN 91 1HD2 ASN 91 2.539 -15.610 -1.629 763 H GLY 92 H GLY 92 6.250 -14.910 -0.464 764 1HA GLY 92 2HA GLY 92 7.779 -14.804 -2.252 765 2HA GLY 92 3HA GLY 92 8.404 -13.259 -1.687 766 HA PRO 93 HA PRO 93 9.890 -12.375 -0.117 767 1HB PRO 93 2HB PRO 93 12.611 -12.206 0.050 768 2HB PRO 93 3HB PRO 93 11.589 -12.598 1.459 769 1HG PRO 93 2HG PRO 93 13.030 -14.559 -0.350 770 2HG PRO 93 3HG PRO 93 13.100 -14.471 1.436 771 1HD PRO 93 2HD PRO 93 11.405 -16.177 0.169 772 2HD PRO 93 3HD PRO 93 10.871 -15.312 1.635 773 H VAL 94 H VAL 94 10.953 -10.875 -1.750 774 HA VAL 94 HA VAL 94 11.696 -12.268 -4.271 775 HB VAL 94 HB VAL 94 9.976 -9.890 -3.727 776 1HG1 VAL 94 1HG1 VAL 94 11.707 -8.796 -5.041 777 2HG1 VAL 94 2HG1 VAL 94 11.695 -10.130 -6.220 778 3HG1 VAL 94 3HG1 VAL 94 10.285 -9.070 -6.040 779 1HG2 VAL 94 1HG2 VAL 94 9.931 -12.030 -5.854 780 2HG2 VAL 94 2HG2 VAL 94 9.051 -12.086 -4.306 781 3HG2 VAL 94 3HG2 VAL 94 8.669 -10.834 -5.499 782 HA PRO 95 HA PRO 95 15.544 -10.053 -3.322 783 1HB PRO 95 2HB PRO 95 17.112 -11.024 -5.322 784 2HB PRO 95 3HB PRO 95 16.632 -12.043 -3.932 785 1HG PRO 95 2HG PRO 95 15.354 -11.927 -6.677 786 2HG PRO 95 3HG PRO 95 15.849 -13.382 -5.763 787 1HD PRO 95 2HD PRO 95 13.285 -12.395 -5.791 788 2HD PRO 95 3HD PRO 95 13.957 -13.234 -4.357 789 HA PRO 96 HA PRO 96 14.843 -6.761 -6.232 790 1HB PRO 96 2HB PRO 96 17.282 -5.466 -6.384 791 2HB PRO 96 3HB PRO 96 16.220 -5.388 -4.950 792 1HG PRO 96 2HG PRO 96 18.563 -7.250 -5.412 793 2HG PRO 96 3HG PRO 96 18.234 -6.247 -3.967 794 1HD PRO 96 2HD PRO 96 17.564 -8.879 -4.057 795 2HD PRO 96 3HD PRO 96 16.474 -7.696 -3.274 796 HA PRO 97 HA PRO 97 16.207 -8.529 -10.121 797 1HB PRO 97 2HB PRO 97 15.471 -6.582 -11.891 798 2HB PRO 97 3HB PRO 97 14.279 -7.591 -11.021 799 1HG PRO 97 2HG PRO 97 15.237 -4.814 -10.269 800 2HG PRO 97 3HG PRO 97 13.548 -5.386 -10.403 801 1HD PRO 97 2HD PRO 97 14.851 -5.285 -8.016 802 2HD PRO 97 3HD PRO 97 13.726 -6.629 -8.387 Start of MODEL 15 1 1H MET 1 1H MET 1 -11.217 -4.902 -12.153 2 2H MET 1 2H MET 1 -9.772 -4.399 -11.540 3 3H MET 1 3H MET 1 -11.069 -3.367 -11.552 4 HA MET 1 HA MET 1 -11.055 -3.335 -13.894 5 1HB MET 1 2HB MET 1 -9.322 -2.015 -12.234 6 2HB MET 1 3HB MET 1 -8.158 -2.782 -13.312 7 1HG MET 1 2HG MET 1 -10.550 -1.096 -14.161 8 2HG MET 1 3HG MET 1 -8.905 -0.486 -14.011 9 1HE MET 1 1HE MET 1 -11.025 -0.402 -16.557 10 2HE MET 1 2HE MET 1 -9.525 0.544 -16.393 11 3HE MET 1 3HE MET 1 -9.803 -0.443 -17.848 12 H GLY 2 H GLY 2 -10.442 -4.263 -15.853 13 1HA GLY 2 2HA GLY 2 -10.002 -7.029 -15.775 14 2HA GLY 2 3HA GLY 2 -9.911 -6.019 -17.227 15 H GLU 3 H GLU 3 -7.686 -4.404 -16.319 16 HA GLU 3 HA GLU 3 -5.445 -6.365 -16.228 17 1HB GLU 3 2HB GLU 3 -5.972 -4.470 -18.309 18 2HB GLU 3 3HB GLU 3 -4.660 -3.784 -17.349 19 1HG GLU 3 2HG GLU 3 -3.383 -5.916 -17.595 20 2HG GLU 3 3HG GLU 3 -4.740 -6.618 -18.494 21 H TRP 4 H TRP 4 -3.422 -4.890 -15.536 22 HA TRP 4 HA TRP 4 -4.047 -4.212 -12.787 23 1HB TRP 4 2HB TRP 4 -1.458 -3.974 -14.371 24 2HB TRP 4 3HB TRP 4 -1.656 -3.758 -12.653 25 HD1 TRP 4 HD TRP 4 -2.479 -6.730 -15.053 26 HE1 TRP 4 1HE TRP 4 -1.709 -8.875 -13.942 27 HE3 TRP 4 3HE TRP 4 -0.627 -4.752 -10.735 28 HZ2 TRP 4 2HZ TRP 4 -0.422 -9.669 -11.454 29 HZ3 TRP 4 3HZ TRP 4 0.274 -6.228 -8.965 30 HH2 TRP 4 HH TRP 4 0.365 -8.692 -9.304 31 H GLU 5 H GLU 5 -3.268 -2.115 -11.842 32 HA GLU 5 HA GLU 5 -3.466 0.234 -13.646 33 1HB GLU 5 2HB GLU 5 -5.296 -0.517 -11.372 34 2HB GLU 5 3HB GLU 5 -4.955 1.174 -11.635 35 1HG GLU 5 2HG GLU 5 -6.029 -0.622 -13.849 36 2HG GLU 5 3HG GLU 5 -7.051 0.307 -12.742 37 H ILE 6 H ILE 6 -3.044 2.199 -12.448 38 HA ILE 6 HA ILE 6 -0.479 1.984 -11.165 39 HB ILE 6 HB ILE 6 -0.524 4.430 -11.107 40 1HG1 ILE 6 2HG1 ILE 6 -2.743 5.134 -12.717 41 2HG1 ILE 6 3HG1 ILE 6 -3.436 4.124 -11.449 42 1HG2 ILE 6 1HG2 ILE 6 0.227 3.232 -13.112 43 2HG2 ILE 6 2HG2 ILE 6 -1.416 3.298 -13.786 44 3HG2 ILE 6 3HG2 ILE 6 -0.504 4.794 -13.512 45 1HD1 ILE 6 1HD1 ILE 6 -2.369 5.564 -9.728 46 2HD1 ILE 6 2HD1 ILE 6 -1.648 6.559 -11.017 47 3HD1 ILE 6 3HD1 ILE 6 -3.409 6.503 -10.819 48 H ILE 7 H ILE 7 0.098 2.572 -9.087 49 HA ILE 7 HA ILE 7 -1.880 2.085 -7.008 50 HB ILE 7 HB ILE 7 0.244 1.126 -6.703 51 1HG1 ILE 7 2HG1 ILE 7 0.771 3.309 -4.773 52 2HG1 ILE 7 3HG1 ILE 7 -0.894 2.740 -4.778 53 1HG2 ILE 7 1HG2 ILE 7 1.739 2.306 -8.067 54 2HG2 ILE 7 2HG2 ILE 7 1.432 3.855 -7.291 55 3HG2 ILE 7 3HG2 ILE 7 2.325 2.615 -6.431 56 1HD1 ILE 7 1HD1 ILE 7 -0.043 0.372 -4.528 57 2HD1 ILE 7 2HD1 ILE 7 1.570 1.065 -4.264 58 3HD1 ILE 7 3HD1 ILE 7 0.252 1.447 -3.153 59 H ASP 8 H ASP 8 -3.166 3.681 -6.136 60 HA ASP 8 HA ASP 8 -2.629 6.444 -6.901 61 1HB ASP 8 2HB ASP 8 -4.955 5.213 -6.528 62 2HB ASP 8 3HB ASP 8 -4.703 5.709 -4.842 63 H ILE 9 H ILE 9 -2.665 8.153 -5.095 64 HA ILE 9 HA ILE 9 -0.711 7.356 -2.981 65 HB ILE 9 HB ILE 9 -1.406 10.091 -4.078 66 1HG1 ILE 9 2HG1 ILE 9 -0.302 8.711 -5.821 67 2HG1 ILE 9 3HG1 ILE 9 0.727 10.020 -5.269 68 1HG2 ILE 9 1HG2 ILE 9 -0.511 10.483 -1.935 69 2HG2 ILE 9 2HG2 ILE 9 0.708 9.193 -2.103 70 3HG2 ILE 9 3HG2 ILE 9 0.843 10.698 -3.036 71 1HD1 ILE 9 1HD1 ILE 9 2.021 8.448 -3.849 72 2HD1 ILE 9 2HD1 ILE 9 0.976 7.108 -4.379 73 3HD1 ILE 9 3HD1 ILE 9 2.000 7.948 -5.546 74 H GLY 10 H GLY 10 -0.969 8.683 -0.879 75 1HA GLY 10 2HA GLY 10 -2.214 9.289 0.930 76 2HA GLY 10 3HA GLY 10 -3.563 9.627 -0.149 77 HA PRO 11 HA PRO 11 -5.063 6.039 2.223 78 1HB PRO 11 2HB PRO 11 -7.687 6.024 1.518 79 2HB PRO 11 3HB PRO 11 -6.972 7.315 2.517 80 1HG PRO 11 2HG PRO 11 -7.444 7.354 -0.477 81 2HG PRO 11 3HG PRO 11 -7.915 8.595 0.720 82 1HD PRO 11 2HD PRO 11 -5.625 8.773 -0.762 83 2HD PRO 11 3HD PRO 11 -5.692 9.363 0.927 84 H PHE 12 H PHE 12 -3.471 5.117 0.509 85 HA PHE 12 HA PHE 12 -4.606 2.768 -0.685 86 1HB PHE 12 2HB PHE 12 -5.058 4.661 -2.325 87 2HB PHE 12 3HB PHE 12 -3.349 4.829 -2.545 88 HD1 PHE 12 1HD PHE 12 -2.369 2.034 -2.898 89 HD2 PHE 12 2HD PHE 12 -6.112 3.801 -4.155 90 HE1 PHE 12 1HE PHE 12 -2.422 0.561 -4.871 91 HE2 PHE 12 2HE PHE 12 -6.086 2.393 -6.179 92 HZ PHE 12 HZ PHE 12 -4.216 0.812 -6.563 93 H THR 13 H THR 13 -1.614 4.609 -1.623 94 HA THR 13 HA THR 13 0.067 2.442 -0.977 95 HB THR 13 HB THR 13 0.599 4.283 -2.538 96 HG1 THR 13 1HG THR 13 2.784 4.332 -1.962 97 1HG2 THR 13 1HG2 THR 13 -0.110 6.224 -1.045 98 2HG2 THR 13 2HG2 THR 13 1.394 5.969 -0.131 99 3HG2 THR 13 3HG2 THR 13 1.464 6.399 -1.841 100 H GLN 14 H GLN 14 -0.731 5.374 0.887 101 HA GLN 14 HA GLN 14 1.012 4.643 3.079 102 1HB GLN 14 2HB GLN 14 -0.508 6.948 2.272 103 2HB GLN 14 3HB GLN 14 -0.980 6.546 3.922 104 1HG GLN 14 2HG GLN 14 1.248 6.731 4.735 105 2HG GLN 14 3HG GLN 14 1.951 6.667 3.111 106 1HE2 GLN 14 2HE2 GLN 14 1.960 8.516 1.767 107 2HE2 GLN 14 1HE2 GLN 14 1.564 10.099 2.414 108 H ASN 15 H ASN 15 -2.437 4.328 2.411 109 HA ASN 15 HA ASN 15 -3.322 3.481 4.919 110 1HB ASN 15 2HB ASN 15 -4.598 3.845 2.622 111 2HB ASN 15 3HB ASN 15 -4.394 2.108 2.428 112 1HD2 ASN 15 2HD2 ASN 15 -6.270 1.029 3.151 113 2HD2 ASN 15 1HD2 ASN 15 -7.257 1.611 4.478 114 H LEU 16 H LEU 16 -2.022 1.494 2.249 115 HA LEU 16 HA LEU 16 -2.076 -1.016 3.774 116 1HB LEU 16 2HB LEU 16 -0.631 -0.304 1.224 117 2HB LEU 16 3HB LEU 16 -0.998 -1.922 1.858 118 HG LEU 16 HG LEU 16 -3.001 0.160 0.834 119 1HD1 LEU 16 1HD1 LEU 16 -1.911 -0.929 -0.928 120 2HD1 LEU 16 2HD1 LEU 16 -2.101 -2.526 -0.168 121 3HD1 LEU 16 3HD1 LEU 16 -3.519 -1.609 -0.744 122 1HD2 LEU 16 1HD2 LEU 16 -3.648 -2.393 2.251 123 2HD2 LEU 16 2HD2 LEU 16 -4.125 -0.757 2.700 124 3HD2 LEU 16 3HD2 LEU 16 -4.772 -1.489 1.231 125 H ALA 17 H ALA 17 0.538 1.366 2.934 126 HA ALA 17 HA ALA 17 2.643 -0.096 4.095 127 1HB ALA 17 1HB ALA 17 3.093 1.911 2.824 128 2HB ALA 17 2HB ALA 17 2.176 2.906 3.979 129 3HB ALA 17 3HB ALA 17 3.702 2.156 4.475 130 H LYS 18 H LYS 18 0.440 2.287 5.682 131 HA LYS 18 HA LYS 18 1.499 1.755 8.291 132 1HB LYS 18 2HB LYS 18 -0.883 3.216 7.261 133 2HB LYS 18 3HB LYS 18 -1.009 2.586 8.904 134 1HG LYS 18 2HG LYS 18 1.324 4.269 7.940 135 2HG LYS 18 3HG LYS 18 -0.091 4.906 8.780 136 1HD LYS 18 2HD LYS 18 0.973 2.644 10.317 137 2HD LYS 18 3HD LYS 18 2.282 3.763 9.942 138 1HE LYS 18 2HE LYS 18 0.831 5.642 10.847 139 2HE LYS 18 3HE LYS 18 -0.353 4.409 11.331 140 1HZ LYS 18 1HZ LYS 18 1.380 3.418 12.681 141 2HZ LYS 18 2HZ LYS 18 2.431 4.611 12.247 142 3HZ LYS 18 3HZ LYS 18 1.085 4.978 13.121 143 H PHE 19 H PHE 19 -1.565 0.551 6.734 144 HA PHE 19 HA PHE 19 -2.479 -1.106 8.686 145 1HB PHE 19 2HB PHE 19 -3.505 -0.849 6.445 146 2HB PHE 19 3HB PHE 19 -2.200 -1.814 5.761 147 HD1 PHE 19 1HD PHE 19 -3.337 -3.598 4.767 148 HD2 PHE 19 2HD PHE 19 -4.298 -2.517 8.835 149 HE1 PHE 19 1HE PHE 19 -4.831 -5.570 4.949 150 HE2 PHE 19 2HE PHE 19 -5.811 -4.468 8.985 151 HZ PHE 19 HZ PHE 19 -6.120 -5.973 7.018 152 H ALA 20 H ALA 20 0.095 -1.965 6.364 153 HA ALA 20 HA ALA 20 0.752 -4.492 7.462 154 1HB ALA 20 1HB ALA 20 1.570 -3.566 5.260 155 2HB ALA 20 2HB ALA 20 2.699 -2.583 6.200 156 3HB ALA 20 3HB ALA 20 2.788 -4.366 6.271 157 H VAL 21 H VAL 21 2.583 -1.438 8.169 158 HA VAL 21 HA VAL 21 4.048 -2.845 10.196 159 HB VAL 21 HB VAL 21 3.670 0.145 9.781 160 1HG1 VAL 21 1HG1 VAL 21 4.481 -0.312 12.086 161 2HG1 VAL 21 2HG1 VAL 21 5.688 -1.452 11.454 162 3HG1 VAL 21 3HG1 VAL 21 5.828 0.280 11.111 163 1HG2 VAL 21 1HG2 VAL 21 5.789 -1.838 8.909 164 2HG2 VAL 21 2HG2 VAL 21 4.702 -0.906 7.846 165 3HG2 VAL 21 3HG2 VAL 21 5.987 -0.104 8.747 166 H ASP 22 H ASP 22 1.449 -0.427 10.444 167 HA ASP 22 HA ASP 22 0.931 -0.346 13.159 168 1HB ASP 22 2HB ASP 22 -0.276 1.098 11.606 169 2HB ASP 22 3HB ASP 22 -1.040 -0.302 10.828 170 H GLU 23 H GLU 23 -0.994 -2.552 10.873 171 HA GLU 23 HA GLU 23 -2.117 -3.863 13.058 172 1HB GLU 23 2HB GLU 23 -2.758 -3.876 10.548 173 2HB GLU 23 3HB GLU 23 -1.553 -5.154 10.371 174 1HG GLU 23 2HG GLU 23 -3.100 -5.871 12.633 175 2HG GLU 23 3HG GLU 23 -4.262 -5.157 11.502 176 H GLU 24 H GLU 24 0.784 -4.758 11.095 177 HA GLU 24 HA GLU 24 1.149 -7.207 12.419 178 1HB GLU 24 2HB GLU 24 2.353 -6.562 10.242 179 2HB GLU 24 3HB GLU 24 3.486 -5.612 11.204 180 1HG GLU 24 2HG GLU 24 4.364 -7.808 10.734 181 2HG GLU 24 3HG GLU 24 4.046 -7.670 12.476 182 H ASN 25 H ASN 25 2.085 -3.953 13.434 183 HA ASN 25 HA ASN 25 3.632 -4.835 15.709 184 1HB ASN 25 2HB ASN 25 3.450 -2.449 14.393 185 2HB ASN 25 3HB ASN 25 2.362 -2.108 15.723 186 1HD2 ASN 25 2HD2 ASN 25 5.626 -3.370 14.919 187 2HD2 ASN 25 1HD2 ASN 25 6.401 -2.745 16.365 188 H LYS 26 H LYS 26 0.311 -3.609 15.238 189 HA LYS 26 HA LYS 26 -0.514 -3.424 17.924 190 1HB LYS 26 2HB LYS 26 -1.740 -2.464 16.057 191 2HB LYS 26 3HB LYS 26 -2.088 -4.055 15.376 192 1HG LYS 26 2HG LYS 26 -2.995 -3.407 18.181 193 2HG LYS 26 3HG LYS 26 -3.889 -2.739 16.810 194 1HD LYS 26 2HD LYS 26 -4.475 -4.874 15.937 195 2HD LYS 26 3HD LYS 26 -3.322 -5.718 16.958 196 1HE LYS 26 2HE LYS 26 -4.656 -4.802 18.984 197 2HE LYS 26 3HE LYS 26 -5.945 -4.488 17.804 198 1HZ LYS 26 1HZ LYS 26 -5.838 -6.829 17.235 199 2HZ LYS 26 2HZ LYS 26 -4.617 -7.064 18.317 200 3HZ LYS 26 3HZ LYS 26 -6.115 -6.639 18.850 201 H ILE 27 H ILE 27 -0.677 -6.117 15.596 202 HA ILE 27 HA ILE 27 -1.728 -8.006 17.561 203 HB ILE 27 HB ILE 27 -0.545 -8.370 14.778 204 1HG1 ILE 27 2HG1 ILE 27 -3.446 -8.319 15.764 205 2HG1 ILE 27 3HG1 ILE 27 -2.657 -7.026 14.852 206 1HG2 ILE 27 1HG2 ILE 27 -0.404 -10.411 16.213 207 2HG2 ILE 27 2HG2 ILE 27 -2.154 -10.329 16.479 208 3HG2 ILE 27 3HG2 ILE 27 -1.493 -10.623 14.852 209 1HD1 ILE 27 1HD1 ILE 27 -2.249 -8.656 12.983 210 2HD1 ILE 27 2HD1 ILE 27 -3.284 -9.822 13.840 211 3HD1 ILE 27 3HD1 ILE 27 -3.960 -8.283 13.305 212 H GLY 28 H GLY 28 1.474 -7.390 15.985 213 1HA GLY 28 2HA GLY 28 3.585 -7.868 16.675 214 2HA GLY 28 3HA GLY 28 2.959 -8.162 18.301 215 H GLN 29 H GLN 29 1.750 -9.946 15.471 216 HA GLN 29 HA GLN 29 2.513 -12.459 16.730 217 1HB GLN 29 2HB GLN 29 0.651 -11.682 14.622 218 2HB GLN 29 3HB GLN 29 1.743 -12.891 13.998 219 1HG GLN 29 2HG GLN 29 0.240 -14.314 14.805 220 2HG GLN 29 3HG GLN 29 1.193 -14.189 16.275 221 1HE2 GLN 29 2HE2 GLN 29 0.303 -12.564 17.974 222 2HE2 GLN 29 1HE2 GLN 29 -1.438 -12.364 17.998 223 H TYR 30 H TYR 30 3.339 -10.903 13.591 224 HA TYR 30 HA TYR 30 5.759 -12.649 13.403 225 1HB TYR 30 2HB TYR 30 4.482 -12.970 11.518 226 2HB TYR 30 3HB TYR 30 3.950 -11.314 11.417 227 HD1 TYR 30 1HD TYR 30 4.640 -10.272 9.453 228 HD2 TYR 30 2HD TYR 30 7.317 -13.013 11.460 229 HE1 TYR 30 1HE TYR 30 6.490 -9.626 7.929 230 HE2 TYR 30 2HE TYR 30 9.100 -12.457 9.844 231 HH TYR 30 HH TYR 30 9.662 -11.255 7.965 232 H GLY 31 H GLY 31 5.398 -9.459 11.888 233 1HA GLY 31 2HA GLY 31 6.182 -7.510 13.423 234 2HA GLY 31 3HA GLY 31 7.667 -8.443 13.587 235 H ARG 32 H ARG 32 6.343 -5.950 11.865 236 HA ARG 32 HA ARG 32 7.587 -6.633 9.299 237 1HB ARG 32 2HB ARG 32 5.358 -5.679 9.210 238 2HB ARG 32 3HB ARG 32 5.898 -4.240 10.088 239 1HG ARG 32 2HG ARG 32 7.132 -3.423 8.301 240 2HG ARG 32 3HG ARG 32 7.342 -4.997 7.564 241 1HD ARG 32 2HD ARG 32 5.312 -4.843 6.412 242 2HD ARG 32 3HD ARG 32 4.556 -3.887 7.698 243 HE ARG 32 HE ARG 32 6.215 -2.080 6.807 244 1HH1 ARG 32 1HH2 ARG 32 4.600 -4.383 4.637 245 2HH1 ARG 32 2HH2 ARG 32 4.032 -3.147 3.559 246 1HH2 ARG 32 1HH1 ARG 32 5.405 -0.483 5.448 247 2HH2 ARG 32 2HH1 ARG 32 4.607 -0.906 3.961 248 H LEU 33 H LEU 33 9.589 -6.700 10.993 249 HA LEU 33 HA LEU 33 11.642 -5.735 11.465 250 1HB LEU 33 2HB LEU 33 11.046 -4.411 8.812 251 2HB LEU 33 3HB LEU 33 12.633 -4.798 9.513 252 HG LEU 33 HG LEU 33 12.218 -6.275 7.748 253 1HD1 LEU 33 1HD1 LEU 33 13.294 -7.246 9.742 254 2HD1 LEU 33 2HD1 LEU 33 11.717 -7.916 10.232 255 3HD1 LEU 33 3HD1 LEU 33 12.472 -8.440 8.713 256 1HD2 LEU 33 1HD2 LEU 33 9.727 -7.519 8.863 257 2HD2 LEU 33 2HD2 LEU 33 9.673 -6.160 7.715 258 3HD2 LEU 33 3HD2 LEU 33 10.465 -7.679 7.276 259 H THR 34 H THR 34 12.033 -2.852 9.988 260 HA THR 34 HA THR 34 10.208 -1.242 11.617 261 HB THR 34 HB THR 34 12.233 -1.669 13.064 262 HG1 THR 34 1HG THR 34 12.330 0.524 13.652 263 1HG2 THR 34 1HG2 THR 34 13.960 -1.550 11.219 264 2HG2 THR 34 2HG2 THR 34 13.703 0.208 11.170 265 3HG2 THR 34 3HG2 THR 34 14.319 -0.558 12.643 266 H PHE 35 H PHE 35 9.650 0.591 10.494 267 HA PHE 35 HA PHE 35 9.529 1.008 7.932 268 1HB PHE 35 2HB PHE 35 9.603 2.804 10.218 269 2HB PHE 35 3HB PHE 35 10.270 3.617 8.833 270 HD1 PHE 35 1HD PHE 35 7.295 1.521 9.743 271 HD2 PHE 35 2HD PHE 35 8.825 4.854 7.485 272 HE1 PHE 35 1HE PHE 35 4.986 2.073 8.974 273 HE2 PHE 35 2HE PHE 35 6.528 5.422 6.767 274 HZ PHE 35 HZ PHE 35 4.608 4.008 7.472 275 H ASN 36 H ASN 36 11.204 0.128 6.655 276 HA ASN 36 HA ASN 36 13.826 1.406 6.655 277 1HB ASN 36 2HB ASN 36 13.092 -0.801 4.733 278 2HB ASN 36 3HB ASN 36 14.617 -0.386 5.486 279 1HD2 ASN 36 2HD2 ASN 36 11.339 -1.733 6.087 280 2HD2 ASN 36 1HD2 ASN 36 11.759 -2.476 7.624 281 H LYS 37 H LYS 37 11.908 0.374 3.723 282 HA LYS 37 HA LYS 37 11.411 3.015 2.834 283 1HB LYS 37 2HB LYS 37 13.902 2.884 2.410 284 2HB LYS 37 3HB LYS 37 13.628 1.485 1.365 285 1HG LYS 37 2HG LYS 37 12.442 2.855 -0.248 286 2HG LYS 37 3HG LYS 37 12.258 4.169 0.930 287 1HD LYS 37 2HD LYS 37 13.885 4.795 -0.689 288 2HD LYS 37 3HD LYS 37 14.685 4.605 0.869 289 1HE LYS 37 2HE LYS 37 14.685 2.138 -0.836 290 2HE LYS 37 3HE LYS 37 15.515 3.522 -1.556 291 1HZ LYS 37 1HZ LYS 37 16.846 3.715 0.386 292 2HZ LYS 37 2HZ LYS 37 16.091 2.434 1.101 293 3HZ LYS 37 3HZ LYS 37 16.991 2.210 -0.263 294 H VAL 38 H VAL 38 10.351 2.813 0.582 295 HA VAL 38 HA VAL 38 9.467 0.065 -0.056 296 HB VAL 38 HB VAL 38 7.717 1.183 1.124 297 1HG1 VAL 38 1HG1 VAL 38 8.283 3.551 0.838 298 2HG1 VAL 38 2HG1 VAL 38 7.863 3.464 -0.888 299 3HG1 VAL 38 3HG1 VAL 38 6.615 3.243 0.349 300 1HG2 VAL 38 1HG2 VAL 38 6.947 1.326 -1.815 301 2HG2 VAL 38 2HG2 VAL 38 7.137 -0.204 -0.940 302 3HG2 VAL 38 3HG2 VAL 38 5.902 0.961 -0.436 303 H ILE 39 H ILE 39 9.696 -0.466 -2.204 304 HA ILE 39 HA ILE 39 11.177 1.469 -3.850 305 HB ILE 39 HB ILE 39 11.430 -0.243 -5.439 306 1HG1 ILE 39 2HG1 ILE 39 10.125 -2.520 -4.841 307 2HG1 ILE 39 3HG1 ILE 39 8.927 -1.356 -4.253 308 1HG2 ILE 39 1HG2 ILE 39 12.639 -0.562 -3.245 309 2HG2 ILE 39 2HG2 ILE 39 11.392 -1.745 -2.789 310 3HG2 ILE 39 3HG2 ILE 39 12.419 -2.034 -4.202 311 1HD1 ILE 39 1HD1 ILE 39 9.352 -0.296 -6.699 312 2HD1 ILE 39 2HD1 ILE 39 9.859 -1.958 -7.025 313 3HD1 ILE 39 3HD1 ILE 39 8.222 -1.627 -6.420 314 H ARG 40 H ARG 40 10.254 2.098 -6.083 315 HA ARG 40 HA ARG 40 7.436 1.840 -6.386 316 1HB ARG 40 2HB ARG 40 8.594 4.365 -5.269 317 2HB ARG 40 3HB ARG 40 7.621 4.608 -6.712 318 1HG ARG 40 2HG ARG 40 5.790 3.194 -5.581 319 2HG ARG 40 3HG ARG 40 6.728 3.304 -4.100 320 1HD ARG 40 2HD ARG 40 6.169 5.875 -5.573 321 2HD ARG 40 3HD ARG 40 4.793 5.061 -4.809 322 HE ARG 40 HE ARG 40 6.731 5.076 -2.845 323 1HH1 ARG 40 1HH2 ARG 40 5.122 7.546 -4.793 324 2HH1 ARG 40 2HH2 ARG 40 5.089 8.735 -3.523 325 1HH2 ARG 40 1HH1 ARG 40 6.632 6.592 -1.150 326 2HH2 ARG 40 2HH1 ARG 40 5.959 8.179 -1.406 327 HA PRO 41 HA PRO 41 6.009 3.365 -7.793 328 1HB PRO 41 2HB PRO 41 4.688 2.940 -10.112 329 2HB PRO 41 3HB PRO 41 5.586 4.438 -9.742 330 1HG PRO 41 2HG PRO 41 6.463 2.124 -11.456 331 2HG PRO 41 3HG PRO 41 6.682 3.875 -11.743 332 1HD PRO 41 2HD PRO 41 8.622 2.167 -10.656 333 2HD PRO 41 3HD PRO 41 8.594 3.932 -10.392 334 H CYS 42 H CYS 42 4.087 1.976 -7.687 335 HA CYS 42 HA CYS 42 4.716 -0.959 -7.621 336 1HB CYS 42 2HB CYS 42 3.239 0.852 -5.702 337 2HB CYS 42 3HB CYS 42 2.997 -0.893 -5.681 338 HG CYS 42 HG CYS 42 4.799 0.140 -3.798 339 H MET 43 H MET 43 2.156 -2.031 -7.466 340 HA MET 43 HA MET 43 0.527 -0.693 -9.513 341 1HB MET 43 2HB MET 43 2.512 -1.854 -10.718 342 2HB MET 43 3HB MET 43 1.779 -3.377 -10.199 343 1HG MET 43 2HG MET 43 -0.341 -2.597 -11.334 344 2HG MET 43 3HG MET 43 0.539 -1.229 -11.985 345 1HE MET 43 1HE MET 43 1.617 -1.289 -14.284 346 2HE MET 43 2HE MET 43 3.032 -1.849 -13.350 347 3HE MET 43 3HE MET 43 2.570 -2.672 -14.861 348 H LYS 44 H LYS 44 -1.583 -1.458 -9.553 349 HA LYS 44 HA LYS 44 -2.221 -3.619 -7.565 350 1HB LYS 44 2HB LYS 44 -3.995 -2.490 -6.823 351 2HB LYS 44 3HB LYS 44 -2.880 -1.152 -7.079 352 1HG LYS 44 2HG LYS 44 -4.392 -0.151 -8.477 353 2HG LYS 44 3HG LYS 44 -4.496 -1.550 -9.489 354 1HD LYS 44 2HD LYS 44 -6.040 -2.617 -7.640 355 2HD LYS 44 3HD LYS 44 -6.133 -1.008 -6.966 356 1HE LYS 44 2HE LYS 44 -6.861 -1.775 -9.849 357 2HE LYS 44 3HE LYS 44 -8.010 -1.506 -8.535 358 1HZ LYS 44 1HZ LYS 44 -7.268 0.740 -8.379 359 2HZ LYS 44 2HZ LYS 44 -6.188 0.523 -9.606 360 3HZ LYS 44 3HZ LYS 44 -7.805 0.412 -9.902 361 H LYS 45 H LYS 45 -4.406 -4.683 -7.998 362 HA LYS 45 HA LYS 45 -5.487 -4.489 -10.630 363 1HB LYS 45 2HB LYS 45 -4.936 -6.530 -11.597 364 2HB LYS 45 3HB LYS 45 -3.427 -5.918 -11.001 365 1HG LYS 45 2HG LYS 45 -3.036 -7.778 -9.845 366 2HG LYS 45 3HG LYS 45 -4.415 -7.475 -8.815 367 1HD LYS 45 2HD LYS 45 -5.616 -9.091 -9.738 368 2HD LYS 45 3HD LYS 45 -5.319 -8.565 -11.390 369 1HE LYS 45 2HE LYS 45 -2.962 -9.697 -11.089 370 2HE LYS 45 3HE LYS 45 -3.702 -10.489 -9.687 371 1HZ LYS 45 1HZ LYS 45 -5.408 -11.291 -11.238 372 2HZ LYS 45 2HZ LYS 45 -4.589 -10.597 -12.488 373 3HZ LYS 45 3HZ LYS 45 -3.894 -11.817 -11.631 374 H THR 46 H THR 46 -6.864 -6.949 -10.721 375 HA THR 46 HA THR 46 -8.434 -6.940 -8.184 376 HB THR 46 HB THR 46 -9.380 -5.723 -10.192 377 HG1 THR 46 1HG THR 46 -11.447 -6.626 -9.747 378 1HG2 THR 46 1HG2 THR 46 -8.835 -7.515 -11.916 379 2HG2 THR 46 2HG2 THR 46 -10.101 -8.513 -11.182 380 3HG2 THR 46 3HG2 THR 46 -10.521 -6.969 -11.922 381 H ILE 47 H ILE 47 -7.981 -8.889 -7.152 382 HA ILE 47 HA ILE 47 -7.036 -11.107 -8.689 383 HB ILE 47 HB ILE 47 -6.615 -10.801 -6.279 384 1HG1 ILE 47 2HG1 ILE 47 -7.913 -13.498 -6.802 385 2HG1 ILE 47 3HG1 ILE 47 -6.379 -13.027 -7.532 386 1HG2 ILE 47 1HG2 ILE 47 -8.932 -10.166 -5.620 387 2HG2 ILE 47 2HG2 ILE 47 -9.499 -11.795 -5.999 388 3HG2 ILE 47 3HG2 ILE 47 -8.395 -11.537 -4.653 389 1HD1 ILE 47 1HD1 ILE 47 -5.415 -12.696 -5.250 390 2HD1 ILE 47 2HD1 ILE 47 -6.952 -13.238 -4.535 391 3HD1 ILE 47 3HD1 ILE 47 -5.993 -14.352 -5.514 392 H TYR 48 H TYR 48 -7.871 -13.045 -9.237 393 HA TYR 48 HA TYR 48 -10.717 -13.056 -10.090 394 1HB TYR 48 2HB TYR 48 -8.342 -14.787 -10.827 395 2HB TYR 48 3HB TYR 48 -9.894 -14.787 -11.659 396 HD1 TYR 48 1HD TYR 48 -9.888 -11.528 -11.487 397 HD2 TYR 48 2HD TYR 48 -7.147 -14.514 -12.910 398 HE1 TYR 48 1HE TYR 48 -8.969 -9.903 -13.122 399 HE2 TYR 48 2HE TYR 48 -6.334 -12.951 -14.643 400 HH TYR 48 HH TYR 48 -6.536 -10.822 -15.564 401 H GLU 49 H GLU 49 -11.392 -15.570 -10.286 402 HA GLU 49 HA GLU 49 -10.997 -16.792 -7.585 403 1HB GLU 49 2HB GLU 49 -13.305 -15.564 -8.687 404 2HB GLU 49 3HB GLU 49 -13.642 -17.262 -8.873 405 1HG GLU 49 2HG GLU 49 -12.636 -16.099 -6.245 406 2HG GLU 49 3HG GLU 49 -14.345 -16.022 -6.693 407 H ASN 50 H ASN 50 -9.411 -17.397 -9.750 408 HA ASN 50 HA ASN 50 -9.544 -20.199 -9.726 409 1HB ASN 50 2HB ASN 50 -11.451 -19.427 -11.491 410 2HB ASN 50 3HB ASN 50 -10.066 -19.263 -12.560 411 1HD2 ASN 50 2HD2 ASN 50 -12.497 -21.300 -11.862 412 2HD2 ASN 50 1HD2 ASN 50 -11.698 -22.847 -12.085 413 H GLU 51 H GLU 51 -7.844 -21.080 -11.352 414 HA GLU 51 HA GLU 51 -5.519 -19.407 -11.233 415 1HB GLU 51 2HB GLU 51 -5.782 -22.020 -10.878 416 2HB GLU 51 3HB GLU 51 -5.679 -22.101 -12.633 417 1HG GLU 51 2HG GLU 51 -3.468 -22.420 -11.793 418 2HG GLU 51 3HG GLU 51 -3.480 -20.766 -12.420 419 H GLY 52 H GLY 52 -6.934 -17.820 -12.683 420 1HA GLY 52 2HA GLY 52 -6.041 -17.685 -15.328 421 2HA GLY 52 3HA GLY 52 -7.485 -18.724 -15.353 422 H PHE 53 H PHE 53 -9.539 -17.802 -14.574 423 HA PHE 53 HA PHE 53 -9.827 -14.958 -14.233 424 1HB PHE 53 2HB PHE 53 -9.590 -15.594 -16.867 425 2HB PHE 53 3HB PHE 53 -11.294 -15.948 -16.672 426 HD1 PHE 53 1HD PHE 53 -9.011 -13.480 -17.617 427 HD2 PHE 53 2HD PHE 53 -12.702 -13.937 -15.420 428 HE1 PHE 53 1HE PHE 53 -9.451 -11.053 -17.809 429 HE2 PHE 53 2HE PHE 53 -13.002 -11.496 -15.418 430 HZ PHE 53 HZ PHE 53 -11.405 -10.043 -16.655 431 H ARG 54 H ARG 54 -11.980 -14.531 -13.418 432 HA ARG 54 HA ARG 54 -14.195 -16.257 -13.683 433 1HB ARG 54 2HB ARG 54 -12.386 -17.305 -11.788 434 2HB ARG 54 3HB ARG 54 -13.373 -16.228 -10.836 435 1HG ARG 54 2HG ARG 54 -14.370 -18.332 -10.669 436 2HG ARG 54 3HG ARG 54 -15.439 -17.447 -11.755 437 1HD ARG 54 2HD ARG 54 -14.796 -18.713 -13.619 438 2HD ARG 54 3HD ARG 54 -13.204 -19.100 -12.952 439 HE ARG 54 HE ARG 54 -15.070 -20.307 -11.249 440 1HH1 ARG 54 1HH2 ARG 54 -14.005 -20.573 -14.601 441 2HH1 ARG 54 2HH2 ARG 54 -14.336 -22.278 -14.728 442 1HH2 ARG 54 1HH1 ARG 54 -15.474 -22.545 -11.372 443 2HH2 ARG 54 2HH1 ARG 54 -15.187 -23.422 -12.848 444 H GLU 55 H GLU 55 -15.693 -15.511 -11.608 445 HA GLU 55 HA GLU 55 -16.230 -12.770 -11.752 446 1HB GLU 55 2HB GLU 55 -17.715 -14.631 -10.811 447 2HB GLU 55 3HB GLU 55 -16.675 -14.643 -9.378 448 1HG GLU 55 2HG GLU 55 -18.570 -13.365 -8.793 449 2HG GLU 55 3HG GLU 55 -17.309 -12.163 -9.063 450 H ILE 56 H ILE 56 -15.341 -10.996 -10.854 451 HA ILE 56 HA ILE 56 -12.791 -11.017 -9.629 452 HB ILE 56 HB ILE 56 -15.029 -8.964 -9.791 453 1HG1 ILE 56 2HG1 ILE 56 -12.305 -9.113 -11.162 454 2HG1 ILE 56 3HG1 ILE 56 -13.784 -9.755 -11.874 455 1HG2 ILE 56 1HG2 ILE 56 -13.803 -8.377 -7.790 456 2HG2 ILE 56 2HG2 ILE 56 -12.253 -8.689 -8.586 457 3HG2 ILE 56 3HG2 ILE 56 -13.267 -7.299 -9.062 458 1HD1 ILE 56 1HD1 ILE 56 -14.827 -7.501 -11.774 459 2HD1 ILE 56 2HD1 ILE 56 -13.270 -6.828 -11.237 460 3HD1 ILE 56 3HD1 ILE 56 -13.402 -7.600 -12.824 461 H LYS 57 H LYS 57 -12.186 -11.551 -7.588 462 HA LYS 57 HA LYS 57 -14.296 -11.930 -5.587 463 1HB LYS 57 2HB LYS 57 -12.319 -13.533 -6.213 464 2HB LYS 57 3HB LYS 57 -11.396 -12.573 -5.058 465 1HG LYS 57 2HG LYS 57 -14.109 -13.569 -4.170 466 2HG LYS 57 3HG LYS 57 -12.871 -14.783 -4.460 467 1HD LYS 57 2HD LYS 57 -11.362 -13.826 -2.871 468 2HD LYS 57 3HD LYS 57 -12.430 -12.429 -2.596 469 1HE LYS 57 2HE LYS 57 -14.152 -13.816 -1.631 470 2HE LYS 57 3HE LYS 57 -13.348 -15.313 -2.140 471 1HZ LYS 57 1HZ LYS 57 -11.636 -14.933 -0.616 472 2HZ LYS 57 2HZ LYS 57 -12.191 -13.431 -0.217 473 3HZ LYS 57 3HZ LYS 57 -13.061 -14.771 0.191 474 H GLY 58 H GLY 58 -11.549 -9.738 -6.247 475 1HA GLY 58 2HA GLY 58 -12.589 -7.645 -4.677 476 2HA GLY 58 3HA GLY 58 -11.438 -8.557 -3.684 477 H TYR 59 H TYR 59 -10.770 -6.040 -4.050 478 HA TYR 59 HA TYR 59 -8.929 -5.793 -6.332 479 1HB TYR 59 2HB TYR 59 -9.743 -3.892 -4.039 480 2HB TYR 59 3HB TYR 59 -8.338 -3.578 -5.000 481 HD1 TYR 59 1HD TYR 59 -8.537 -3.766 -7.528 482 HD2 TYR 59 2HD TYR 59 -11.913 -3.105 -4.960 483 HE1 TYR 59 1HE TYR 59 -9.973 -3.231 -9.535 484 HE2 TYR 59 2HE TYR 59 -13.301 -2.464 -6.907 485 HH TYR 59 HH TYR 59 -13.390 -2.241 -9.210 486 H GLU 60 H GLU 60 -6.737 -5.951 -6.266 487 HA GLU 60 HA GLU 60 -5.524 -6.615 -3.642 488 1HB GLU 60 2HB GLU 60 -5.562 -8.218 -6.135 489 2HB GLU 60 3HB GLU 60 -3.944 -7.761 -5.597 490 1HG GLU 60 2HG GLU 60 -4.289 -9.790 -4.535 491 2HG GLU 60 3HG GLU 60 -4.569 -8.589 -3.266 492 H TYR 61 H TYR 61 -3.613 -5.606 -3.266 493 HA TYR 61 HA TYR 61 -2.711 -3.520 -5.252 494 1HB TYR 61 2HB TYR 61 -2.784 -3.409 -2.243 495 2HB TYR 61 3HB TYR 61 -2.290 -2.110 -3.330 496 HD1 TYR 61 1HD TYR 61 -4.919 -3.389 -1.381 497 HD2 TYR 61 2HD TYR 61 -4.115 -1.279 -5.019 498 HE1 TYR 61 1HE TYR 61 -6.904 -2.011 -1.055 499 HE2 TYR 61 2HE TYR 61 -6.389 -0.254 -4.922 500 HH TYR 61 HH TYR 61 -8.790 -1.074 -2.521 501 H GLN 62 H GLN 62 -0.789 -4.510 -6.102 502 HA GLN 62 HA GLN 62 0.892 -6.012 -4.224 503 1HB GLN 62 2HB GLN 62 0.393 -6.875 -6.478 504 2HB GLN 62 3HB GLN 62 1.295 -5.514 -7.184 505 1HG GLN 62 2HG GLN 62 3.355 -6.313 -6.506 506 2HG GLN 62 3HG GLN 62 2.697 -7.134 -5.086 507 1HE2 GLN 62 2HE2 GLN 62 3.022 -7.417 -8.652 508 2HE2 GLN 62 1HE2 GLN 62 2.783 -9.155 -8.649 509 H LEU 63 H LEU 63 2.283 -4.895 -2.973 510 HA LEU 63 HA LEU 63 3.838 -2.720 -4.229 511 1HB LEU 63 2HB LEU 63 3.603 -1.404 -2.101 512 2HB LEU 63 3HB LEU 63 2.221 -1.505 -3.192 513 HG LEU 63 HG LEU 63 1.402 -3.456 -1.593 514 1HD1 LEU 63 1HD1 LEU 63 3.539 -3.329 -0.173 515 2HD1 LEU 63 2HD1 LEU 63 2.969 -1.738 0.367 516 3HD1 LEU 63 3HD1 LEU 63 2.006 -3.194 0.703 517 1HD2 LEU 63 1HD2 LEU 63 1.220 -0.508 -0.950 518 2HD2 LEU 63 2HD2 LEU 63 0.176 -1.454 -2.043 519 3HD2 LEU 63 3HD2 LEU 63 0.193 -1.812 -0.307 520 H TYR 64 H TYR 64 5.875 -2.602 -3.741 521 HA TYR 64 HA TYR 64 7.017 -5.009 -2.413 522 1HB TYR 64 2HB TYR 64 7.699 -3.202 -4.715 523 2HB TYR 64 3HB TYR 64 8.963 -4.080 -3.867 524 HD1 TYR 64 1HD TYR 64 8.966 -6.584 -3.800 525 HD2 TYR 64 2HD TYR 64 6.203 -4.347 -6.250 526 HE1 TYR 64 1HE TYR 64 8.787 -8.482 -5.373 527 HE2 TYR 64 2HE TYR 64 5.925 -6.326 -7.728 528 HH TYR 64 HH TYR 64 7.833 -9.311 -7.266 529 H VAL 65 H VAL 65 6.866 -4.200 -0.294 530 HA VAL 65 HA VAL 65 8.279 -1.695 0.365 531 HB VAL 65 HB VAL 65 6.872 -3.752 2.070 532 1HG1 VAL 65 1HG1 VAL 65 8.781 -2.841 3.340 533 2HG1 VAL 65 2HG1 VAL 65 8.368 -1.188 2.831 534 3HG1 VAL 65 3HG1 VAL 65 7.308 -2.089 3.918 535 1HG2 VAL 65 1HG2 VAL 65 6.267 -0.802 1.548 536 2HG2 VAL 65 2HG2 VAL 65 5.561 -2.095 0.565 537 3HG2 VAL 65 3HG2 VAL 65 5.204 -2.008 2.281 538 H TYR 66 H TYR 66 10.374 -1.597 1.073 539 HA TYR 66 HA TYR 66 11.967 -4.062 0.812 540 1HB TYR 66 2HB TYR 66 12.654 -1.817 -0.255 541 2HB TYR 66 3HB TYR 66 12.850 -1.201 1.371 542 HD1 TYR 66 1HD TYR 66 13.838 -4.428 -0.215 543 HD2 TYR 66 2HD TYR 66 15.150 -0.839 1.742 544 HE1 TYR 66 1HE TYR 66 16.182 -5.214 -0.382 545 HE2 TYR 66 2HE TYR 66 17.491 -1.646 1.635 546 HH TYR 66 HH TYR 66 18.827 -3.632 1.255 547 H ALA 67 H ALA 67 12.442 -5.176 2.731 548 HA ALA 67 HA ALA 67 12.452 -3.558 5.162 549 1HB ALA 67 1HB ALA 67 10.056 -4.540 4.816 550 2HB ALA 67 2HB ALA 67 10.799 -6.079 5.305 551 3HB ALA 67 3HB ALA 67 10.841 -4.683 6.392 552 H SER 68 H SER 68 13.545 -4.409 6.955 553 HA SER 68 HA SER 68 15.330 -5.354 7.825 554 1HB SER 68 2HB SER 68 13.949 -7.575 6.889 555 2HB SER 68 3HB SER 68 15.570 -7.851 6.256 556 HG SER 68 HG SER 68 15.237 -8.615 8.414 557 H ASP 69 H ASP 69 15.674 -6.630 4.558 558 HA ASP 69 HA ASP 69 17.088 -4.669 3.373 559 1HB ASP 69 2HB ASP 69 18.943 -5.531 5.093 560 2HB ASP 69 3HB ASP 69 18.995 -6.960 4.070 561 H LYS 70 H LYS 70 14.943 -6.481 2.866 562 HA LYS 70 HA LYS 70 15.863 -7.697 0.349 563 1HB LYS 70 2HB LYS 70 14.355 -9.227 2.526 564 2HB LYS 70 3HB LYS 70 14.454 -9.701 0.839 565 1HG LYS 70 2HG LYS 70 16.088 -10.996 1.557 566 2HG LYS 70 3HG LYS 70 17.092 -9.583 1.221 567 1HD LYS 70 2HD LYS 70 17.161 -9.027 3.615 568 2HD LYS 70 3HD LYS 70 15.874 -10.188 3.954 569 1HE LYS 70 2HE LYS 70 17.517 -11.598 4.546 570 2HE LYS 70 3HE LYS 70 17.743 -11.868 2.817 571 1HZ LYS 70 1HZ LYS 70 19.426 -10.146 2.862 572 2HZ LYS 70 2HZ LYS 70 19.202 -9.941 4.483 573 3HZ LYS 70 3HZ LYS 70 19.774 -11.372 3.908 574 H LEU 71 H LEU 71 14.070 -8.182 -1.035 575 HA LEU 71 HA LEU 71 11.860 -6.231 -0.860 576 1HB LEU 71 2HB LEU 71 13.113 -7.985 -2.967 577 2HB LEU 71 3HB LEU 71 11.409 -7.580 -3.128 578 HG LEU 71 HG LEU 71 13.031 -5.206 -2.524 579 1HD1 LEU 71 1HD1 LEU 71 14.757 -6.077 -3.860 580 2HD1 LEU 71 2HD1 LEU 71 13.634 -6.888 -4.983 581 3HD1 LEU 71 3HD1 LEU 71 13.792 -5.120 -4.997 582 1HD2 LEU 71 1HD2 LEU 71 11.087 -5.905 -4.741 583 2HD2 LEU 71 2HD2 LEU 71 10.689 -5.204 -3.141 584 3HD2 LEU 71 3HD2 LEU 71 11.663 -4.287 -4.307 585 H PHE 72 H PHE 72 10.049 -6.802 0.185 586 HA PHE 72 HA PHE 72 9.202 -9.670 0.233 587 1HB PHE 72 2HB PHE 72 8.737 -7.314 2.094 588 2HB PHE 72 3HB PHE 72 7.886 -8.828 2.218 589 HD1 PHE 72 1HD PHE 72 10.700 -7.079 3.293 590 HD2 PHE 72 2HD PHE 72 9.432 -11.039 2.283 591 HE1 PHE 72 1HE PHE 72 12.425 -8.045 4.894 592 HE2 PHE 72 2HE PHE 72 11.258 -11.995 3.668 593 HZ PHE 72 HZ PHE 72 12.744 -10.497 4.976 594 H ARG 73 H ARG 73 7.527 -10.056 -1.159 595 HA ARG 73 HA ARG 73 6.278 -7.824 -2.503 596 1HB ARG 73 2HB ARG 73 6.764 -10.315 -3.328 597 2HB ARG 73 3HB ARG 73 5.200 -10.665 -2.632 598 1HG ARG 73 2HG ARG 73 4.111 -9.030 -4.075 599 2HG ARG 73 3HG ARG 73 5.671 -8.383 -4.592 600 1HD ARG 73 2HD ARG 73 4.933 -9.793 -6.375 601 2HD ARG 73 3HD ARG 73 6.258 -10.629 -5.550 602 HE ARG 73 HE ARG 73 3.526 -11.265 -4.646 603 1HH1 ARG 73 1HH2 ARG 73 6.104 -12.155 -6.904 604 2HH1 ARG 73 2HH2 ARG 73 5.449 -13.732 -7.242 605 1HH2 ARG 73 1HH1 ARG 73 2.646 -13.303 -5.120 606 2HH2 ARG 73 2HH1 ARG 73 3.446 -14.388 -6.224 607 H ALA 74 H ALA 74 4.743 -6.606 -1.280 608 HA ALA 74 HA ALA 74 3.059 -8.204 0.571 609 1HB ALA 74 1HB ALA 74 4.466 -6.764 1.845 610 2HB ALA 74 2HB ALA 74 4.013 -5.359 0.863 611 3HB ALA 74 3HB ALA 74 2.805 -6.154 1.900 612 H ASP 75 H ASP 75 1.108 -8.573 -0.153 613 HA ASP 75 HA ASP 75 -0.118 -6.655 -2.071 614 1HB ASP 75 2HB ASP 75 0.472 -8.631 -3.200 615 2HB ASP 75 3HB ASP 75 -0.145 -9.644 -1.857 616 H ILE 76 H ILE 76 -1.488 -5.499 -0.634 617 HA ILE 76 HA ILE 76 -3.243 -7.121 1.138 618 HB ILE 76 HB ILE 76 -3.375 -4.191 0.451 619 1HG1 ILE 76 2HG1 ILE 76 -1.266 -4.763 1.567 620 2HG1 ILE 76 3HG1 ILE 76 -2.300 -3.932 2.702 621 1HG2 ILE 76 1HG2 ILE 76 -5.528 -4.727 1.169 622 2HG2 ILE 76 2HG2 ILE 76 -4.972 -5.949 2.325 623 3HG2 ILE 76 3HG2 ILE 76 -4.749 -4.235 2.677 624 1HD1 ILE 76 1HD1 ILE 76 -2.997 -6.198 3.629 625 2HD1 ILE 76 2HD1 ILE 76 -1.696 -6.900 2.638 626 3HD1 ILE 76 3HD1 ILE 76 -1.316 -5.693 3.862 627 H SER 77 H SER 77 -5.157 -7.868 0.805 628 HA SER 77 HA SER 77 -6.476 -7.722 -1.848 629 1HB SER 77 2HB SER 77 -6.188 -9.965 -1.219 630 2HB SER 77 3HB SER 77 -6.439 -9.613 0.478 631 HG SER 77 HG SER 77 -8.506 -9.514 -1.470 632 H GLU 78 H GLU 78 -8.728 -7.112 -1.899 633 HA GLU 78 HA GLU 78 -9.948 -6.189 0.624 634 1HB GLU 78 2HB GLU 78 -10.219 -5.032 -2.198 635 2HB GLU 78 3HB GLU 78 -11.107 -4.472 -0.785 636 1HG GLU 78 2HG GLU 78 -8.636 -4.184 0.229 637 2HG GLU 78 3HG GLU 78 -8.219 -4.098 -1.483 638 H ASP 79 H ASP 79 -12.360 -5.871 0.229 639 HA ASP 79 HA ASP 79 -13.489 -8.424 -0.846 640 1HB ASP 79 2HB ASP 79 -13.670 -7.948 1.614 641 2HB ASP 79 3HB ASP 79 -14.671 -6.540 1.235 642 H TYR 80 H TYR 80 -14.260 -8.052 -2.871 643 HA TYR 80 HA TYR 80 -14.816 -5.745 -4.129 644 1HB TYR 80 2HB TYR 80 -14.760 -8.156 -5.014 645 2HB TYR 80 3HB TYR 80 -16.453 -8.271 -4.573 646 HD1 TYR 80 1HD TYR 80 -17.616 -8.405 -6.619 647 HD2 TYR 80 2HD TYR 80 -14.321 -5.632 -6.295 648 HE1 TYR 80 1HE TYR 80 -17.952 -7.721 -8.961 649 HE2 TYR 80 2HE TYR 80 -14.706 -4.914 -8.624 650 HH TYR 80 HH TYR 80 -17.209 -6.399 -10.694 651 H LYS 81 H LYS 81 -17.359 -7.567 -2.379 652 HA LYS 81 HA LYS 81 -19.645 -6.219 -2.518 653 1HB LYS 81 2HB LYS 81 -19.179 -8.074 -1.029 654 2HB LYS 81 3HB LYS 81 -18.094 -7.090 -0.056 655 1HG LYS 81 2HG LYS 81 -20.852 -5.991 -0.203 656 2HG LYS 81 3HG LYS 81 -20.747 -7.612 0.514 657 1HD LYS 81 2HD LYS 81 -19.040 -6.920 2.075 658 2HD LYS 81 3HD LYS 81 -18.953 -5.331 1.335 659 1HE LYS 81 2HE LYS 81 -20.704 -4.524 2.547 660 2HE LYS 81 3HE LYS 81 -21.720 -5.908 2.137 661 1HZ LYS 81 1HZ LYS 81 -20.643 -7.137 3.879 662 2HZ LYS 81 2HZ LYS 81 -19.720 -5.830 4.282 663 3HZ LYS 81 3HZ LYS 81 -21.356 -5.772 4.462 664 H THR 82 H THR 82 -16.790 -4.919 -1.013 665 HA THR 82 HA THR 82 -17.862 -2.198 -0.858 666 HB THR 82 HB THR 82 -17.293 -3.805 1.658 667 HG1 THR 82 1HG THR 82 -19.458 -2.243 0.687 668 1HG2 THR 82 1HG2 THR 82 -16.205 -1.813 2.257 669 2HG2 THR 82 2HG2 THR 82 -17.341 -0.824 1.285 670 3HG2 THR 82 3HG2 THR 82 -17.856 -1.606 2.810 671 H ARG 83 H ARG 83 -15.222 -3.170 1.238 672 HA ARG 83 HA ARG 83 -12.993 -2.779 -0.423 673 1HB ARG 83 2HB ARG 83 -12.287 -0.519 0.215 674 2HB ARG 83 3HB ARG 83 -13.724 -0.482 -0.797 675 1HG ARG 83 2HG ARG 83 -15.145 -0.043 1.126 676 2HG ARG 83 3HG ARG 83 -13.788 -0.167 2.250 677 1HD ARG 83 2HD ARG 83 -13.071 1.951 1.814 678 2HD ARG 83 3HD ARG 83 -13.268 1.752 0.079 679 HE ARG 83 HE ARG 83 -15.293 2.743 0.133 680 1HH1 ARG 83 1HH2 ARG 83 -14.509 1.772 3.433 681 2HH1 ARG 83 2HH2 ARG 83 -15.918 2.513 4.143 682 1HH2 ARG 83 1HH1 ARG 83 -17.158 3.669 1.022 683 2HH2 ARG 83 2HH1 ARG 83 -17.465 3.604 2.736 684 H GLY 84 H GLY 84 -13.691 -4.573 1.545 685 1HA GLY 84 2HA GLY 84 -12.596 -3.960 4.136 686 2HA GLY 84 3HA GLY 84 -12.800 -5.577 3.429 687 H ARG 85 H ARG 85 -10.471 -5.418 4.810 688 HA ARG 85 HA ARG 85 -8.470 -5.338 2.658 689 1HB ARG 85 2HB ARG 85 -7.090 -4.371 4.875 690 2HB ARG 85 3HB ARG 85 -7.428 -3.571 3.352 691 1HG ARG 85 2HG ARG 85 -7.964 -2.152 5.182 692 2HG ARG 85 3HG ARG 85 -9.453 -2.530 4.317 693 1HD ARG 85 2HD ARG 85 -10.347 -3.648 6.131 694 2HD ARG 85 3HD ARG 85 -8.783 -4.389 6.563 695 HE ARG 85 HE ARG 85 -8.671 -1.620 7.140 696 1HH1 ARG 85 1HH2 ARG 85 -10.244 -4.576 8.242 697 2HH1 ARG 85 2HH2 ARG 85 -10.334 -4.090 9.912 698 1HH2 ARG 85 1HH1 ARG 85 -8.737 -0.971 9.327 699 2HH2 ARG 85 2HH1 ARG 85 -9.452 -1.996 10.542 700 H LYS 86 H LYS 86 -7.722 -7.375 2.585 701 HA LYS 86 HA LYS 86 -7.587 -8.988 5.090 702 1HB LYS 86 2HB LYS 86 -7.843 -9.783 2.176 703 2HB LYS 86 3HB LYS 86 -7.371 -10.916 3.441 704 1HG LYS 86 2HG LYS 86 -10.034 -9.461 3.194 705 2HG LYS 86 3HG LYS 86 -9.679 -11.163 2.940 706 1HD LYS 86 2HD LYS 86 -10.527 -11.315 5.043 707 2HD LYS 86 3HD LYS 86 -8.826 -11.146 5.443 708 1HE LYS 86 2HE LYS 86 -9.256 -9.205 6.614 709 2HE LYS 86 3HE LYS 86 -10.066 -8.492 5.220 710 1HZ LYS 86 1HZ LYS 86 -12.031 -9.766 5.838 711 2HZ LYS 86 2HZ LYS 86 -11.275 -10.236 7.226 712 3HZ LYS 86 3HZ LYS 86 -11.581 -8.639 6.954 713 H LEU 87 H LEU 87 -5.815 -9.968 5.710 714 HA LEU 87 HA LEU 87 -3.322 -8.734 5.031 715 1HB LEU 87 2HB LEU 87 -4.228 -9.611 7.269 716 2HB LEU 87 3HB LEU 87 -3.757 -11.225 6.744 717 HG LEU 87 HG LEU 87 -1.972 -8.786 7.005 718 1HD1 LEU 87 1HD1 LEU 87 -2.834 -9.640 9.181 719 2HD1 LEU 87 2HD1 LEU 87 -2.168 -11.241 8.804 720 3HD1 LEU 87 3HD1 LEU 87 -1.081 -9.858 9.039 721 1HD2 LEU 87 1HD2 LEU 87 -1.220 -11.685 6.439 722 2HD2 LEU 87 2HD2 LEU 87 -0.937 -10.284 5.382 723 3HD2 LEU 87 3HD2 LEU 87 -0.064 -10.423 6.908 724 H LEU 88 H LEU 88 -2.839 -9.210 2.881 725 HA LEU 88 HA LEU 88 -1.743 -11.956 2.443 726 1HB LEU 88 2HB LEU 88 -3.397 -10.181 0.694 727 2HB LEU 88 3HB LEU 88 -2.081 -11.059 -0.102 728 HG LEU 88 HG LEU 88 -4.104 -12.479 1.650 729 1HD1 LEU 88 1HD1 LEU 88 -5.615 -11.800 0.088 730 2HD1 LEU 88 2HD1 LEU 88 -4.370 -11.385 -1.121 731 3HD1 LEU 88 3HD1 LEU 88 -4.888 -13.063 -0.911 732 1HD2 LEU 88 1HD2 LEU 88 -2.374 -13.436 -0.680 733 2HD2 LEU 88 2HD2 LEU 88 -1.929 -13.647 1.024 734 3HD2 LEU 88 3HD2 LEU 88 -3.381 -14.435 0.393 735 H ARG 89 H ARG 89 -0.889 -9.032 3.377 736 HA ARG 89 HA ARG 89 1.328 -8.388 1.762 737 1HB ARG 89 2HB ARG 89 2.238 -7.322 3.896 738 2HB ARG 89 3HB ARG 89 0.771 -6.691 3.172 739 1HG ARG 89 2HG ARG 89 -0.588 -7.932 4.871 740 2HG ARG 89 3HG ARG 89 0.920 -8.548 5.587 741 1HD ARG 89 2HD ARG 89 1.333 -6.529 6.600 742 2HD ARG 89 3HD ARG 89 0.926 -5.640 5.142 743 HE ARG 89 HE ARG 89 -1.184 -5.226 5.815 744 1HH1 ARG 89 1HH2 ARG 89 0.329 -7.525 8.086 745 2HH1 ARG 89 2HH2 ARG 89 -0.962 -7.381 9.254 746 1HH2 ARG 89 1HH1 ARG 89 -2.905 -5.188 7.298 747 2HH2 ARG 89 2HH1 ARG 89 -2.829 -6.105 8.762 748 H PHE 90 H PHE 90 3.552 -8.591 2.422 749 HA PHE 90 HA PHE 90 5.437 -9.759 2.777 750 1HB PHE 90 2HB PHE 90 3.720 -10.587 5.062 751 2HB PHE 90 3HB PHE 90 5.165 -11.547 4.738 752 HD1 PHE 90 1HD PHE 90 3.863 -8.462 6.001 753 HD2 PHE 90 2HD PHE 90 7.444 -10.491 4.696 754 HE1 PHE 90 1HE PHE 90 5.331 -6.771 7.130 755 HE2 PHE 90 2HE PHE 90 8.797 -8.513 5.324 756 HZ PHE 90 HZ PHE 90 7.493 -6.393 5.856 757 H ASN 91 H ASN 91 5.473 -10.810 0.732 758 HA ASN 91 HA ASN 91 5.194 -13.737 0.964 759 1HB ASN 91 2HB ASN 91 3.097 -12.386 0.051 760 2HB ASN 91 3HB ASN 91 4.064 -12.282 -1.423 761 1HD2 ASN 91 2HD2 ASN 91 1.523 -13.608 -1.120 762 2HD2 ASN 91 1HD2 ASN 91 1.794 -15.321 -1.397 763 H GLY 92 H GLY 92 6.041 -14.796 -1.029 764 1HA GLY 92 2HA GLY 92 7.587 -14.848 -2.826 765 2HA GLY 92 3HA GLY 92 8.408 -13.418 -2.225 766 HA PRO 93 HA PRO 93 9.723 -12.727 -0.431 767 1HB PRO 93 2HB PRO 93 12.370 -12.713 0.174 768 2HB PRO 93 3HB PRO 93 11.117 -13.143 1.370 769 1HG PRO 93 2HG PRO 93 12.836 -15.024 -0.261 770 2HG PRO 93 3HG PRO 93 12.480 -15.093 1.490 771 1HD PRO 93 2HD PRO 93 11.117 -16.567 -0.412 772 2HD PRO 93 3HD PRO 93 10.347 -16.021 1.102 773 H VAL 94 H VAL 94 11.262 -11.230 -1.687 774 HA VAL 94 HA VAL 94 11.601 -12.373 -4.425 775 HB VAL 94 HB VAL 94 10.875 -9.675 -3.358 776 1HG1 VAL 94 1HG1 VAL 94 12.410 -9.673 -5.535 777 2HG1 VAL 94 2HG1 VAL 94 10.903 -10.106 -6.336 778 3HG1 VAL 94 3HG1 VAL 94 11.028 -8.617 -5.383 779 1HG2 VAL 94 1HG2 VAL 94 9.175 -11.110 -5.357 780 2HG2 VAL 94 2HG2 VAL 94 9.202 -11.751 -3.716 781 3HG2 VAL 94 3HG2 VAL 94 8.766 -10.074 -3.970 782 HA PRO 95 HA PRO 95 15.901 -11.406 -3.502 783 1HB PRO 95 2HB PRO 95 17.065 -12.052 -5.915 784 2HB PRO 95 3HB PRO 95 16.483 -13.261 -4.733 785 1HG PRO 95 2HG PRO 95 15.078 -12.244 -7.208 786 2HG PRO 95 3HG PRO 95 15.227 -13.930 -6.633 787 1HD PRO 95 2HD PRO 95 13.010 -12.354 -6.205 788 2HD PRO 95 3HD PRO 95 13.514 -13.632 -5.056 789 HA PRO 96 HA PRO 96 16.246 -7.301 -5.020 790 1HB PRO 96 2HB PRO 96 18.957 -6.765 -4.951 791 2HB PRO 96 3HB PRO 96 17.926 -6.929 -3.501 792 1HG PRO 96 2HG PRO 96 19.711 -9.015 -4.766 793 2HG PRO 96 3HG PRO 96 19.544 -8.607 -3.032 794 1HD PRO 96 2HD PRO 96 18.258 -10.732 -4.197 795 2HD PRO 96 3HD PRO 96 17.523 -9.801 -2.858 796 HA PRO 97 HA PRO 97 16.997 -7.573 -9.390 797 1HB PRO 97 2HB PRO 97 17.008 -4.963 -10.172 798 2HB PRO 97 3HB PRO 97 15.544 -5.766 -9.532 799 1HG PRO 97 2HG PRO 97 17.484 -3.990 -8.027 800 2HG PRO 97 3HG PRO 97 15.699 -3.908 -8.039 801 1HD PRO 97 2HD PRO 97 17.114 -5.192 -6.065 802 2HD PRO 97 3HD PRO 97 15.511 -5.769 -6.617 Start of MODEL 16 1 1H MET 1 1H MET 1 -11.071 -3.031 -13.163 2 2H MET 1 2H MET 1 -10.627 -2.082 -14.422 3 3H MET 1 3H MET 1 -12.205 -2.092 -13.923 4 HA MET 1 HA MET 1 -12.446 -4.364 -14.570 5 1HB MET 1 2HB MET 1 -11.307 -2.528 -16.726 6 2HB MET 1 3HB MET 1 -12.119 -4.059 -17.077 7 1HG MET 1 2HG MET 1 -14.135 -3.284 -15.877 8 2HG MET 1 3HG MET 1 -13.394 -1.681 -15.711 9 1HE MET 1 1HE MET 1 -16.269 -2.438 -17.033 10 2HE MET 1 2HE MET 1 -15.681 -0.771 -16.804 11 3HE MET 1 3HE MET 1 -16.270 -1.299 -18.399 12 H GLY 2 H GLY 2 -11.160 -5.681 -16.644 13 1HA GLY 2 2HA GLY 2 -9.158 -7.141 -15.222 14 2HA GLY 2 3HA GLY 2 -9.559 -7.292 -16.946 15 H GLU 3 H GLU 3 -6.999 -7.593 -16.144 16 HA GLU 3 HA GLU 3 -4.903 -7.030 -16.681 17 1HB GLU 3 2HB GLU 3 -6.005 -5.500 -18.516 18 2HB GLU 3 3HB GLU 3 -5.580 -4.169 -17.437 19 1HG GLU 3 2HG GLU 3 -3.212 -4.651 -17.701 20 2HG GLU 3 3HG GLU 3 -3.551 -6.249 -18.390 21 H TRP 4 H TRP 4 -3.487 -4.815 -15.855 22 HA TRP 4 HA TRP 4 -4.301 -4.398 -13.019 23 1HB TRP 4 2HB TRP 4 -1.463 -4.547 -14.086 24 2HB TRP 4 3HB TRP 4 -1.997 -4.367 -12.437 25 HD1 TRP 4 HD TRP 4 -2.476 -7.129 -15.146 26 HE1 TRP 4 1HE TRP 4 -2.123 -9.397 -14.055 27 HE3 TRP 4 3HE TRP 4 -1.436 -5.559 -10.412 28 HZ2 TRP 4 2HZ TRP 4 -1.464 -10.431 -11.415 29 HZ3 TRP 4 3HZ TRP 4 -0.929 -7.192 -8.616 30 HH2 TRP 4 HH TRP 4 -0.958 -9.638 -9.105 31 H GLU 5 H GLU 5 -3.646 -2.282 -12.227 32 HA GLU 5 HA GLU 5 -3.042 -0.274 -14.337 33 1HB GLU 5 2HB GLU 5 -4.567 1.214 -13.280 34 2HB GLU 5 3HB GLU 5 -5.422 -0.222 -13.834 35 1HG GLU 5 2HG GLU 5 -4.477 -0.203 -10.991 36 2HG GLU 5 3HG GLU 5 -5.709 0.984 -11.387 37 H ILE 6 H ILE 6 -2.393 1.768 -13.415 38 HA ILE 6 HA ILE 6 -0.090 1.378 -11.718 39 HB ILE 6 HB ILE 6 -1.179 4.031 -12.690 40 1HG1 ILE 6 2HG1 ILE 6 0.554 2.042 -14.228 41 2HG1 ILE 6 3HG1 ILE 6 -1.064 2.607 -14.672 42 1HG2 ILE 6 1HG2 ILE 6 0.685 4.045 -11.002 43 2HG2 ILE 6 2HG2 ILE 6 1.669 3.086 -12.126 44 3HG2 ILE 6 3HG2 ILE 6 1.167 4.739 -12.539 45 1HD1 ILE 6 1HD1 ILE 6 -0.157 4.943 -14.862 46 2HD1 ILE 6 2HD1 ILE 6 1.477 4.243 -14.718 47 3HD1 ILE 6 3HD1 ILE 6 0.429 3.773 -16.060 48 H ILE 7 H ILE 7 0.158 2.117 -9.640 49 HA ILE 7 HA ILE 7 -2.100 2.401 -7.898 50 HB ILE 7 HB ILE 7 -0.199 1.317 -7.132 51 1HG1 ILE 7 2HG1 ILE 7 -0.089 3.958 -5.652 52 2HG1 ILE 7 3HG1 ILE 7 -1.314 2.680 -5.451 53 1HG2 ILE 7 1HG2 ILE 7 1.676 1.723 -8.135 54 2HG2 ILE 7 2HG2 ILE 7 1.353 3.388 -8.526 55 3HG2 ILE 7 3HG2 ILE 7 2.007 2.979 -6.935 56 1HD1 ILE 7 1HD1 ILE 7 0.571 1.098 -4.862 57 2HD1 ILE 7 2HD1 ILE 7 1.638 2.526 -4.787 58 3HD1 ILE 7 3HD1 ILE 7 0.253 2.401 -3.708 59 H ASP 8 H ASP 8 0.484 4.854 -7.711 60 HA ASP 8 HA ASP 8 0.472 7.073 -7.596 61 1HB ASP 8 2HB ASP 8 -0.014 6.734 -10.033 62 2HB ASP 8 3HB ASP 8 -1.739 6.939 -9.688 63 H ILE 9 H ILE 9 -0.631 6.316 -5.376 64 HA ILE 9 HA ILE 9 -3.077 7.957 -4.953 65 HB ILE 9 HB ILE 9 -2.273 5.402 -3.494 66 1HG1 ILE 9 2HG1 ILE 9 -2.790 4.790 -5.825 67 2HG1 ILE 9 3HG1 ILE 9 -3.956 4.162 -4.689 68 1HG2 ILE 9 1HG2 ILE 9 -3.796 6.415 -2.075 69 2HG2 ILE 9 2HG2 ILE 9 -4.652 7.257 -3.402 70 3HG2 ILE 9 3HG2 ILE 9 -4.898 5.535 -3.139 71 1HD1 ILE 9 1HD1 ILE 9 -5.582 5.905 -5.255 72 2HD1 ILE 9 2HD1 ILE 9 -4.406 6.720 -6.293 73 3HD1 ILE 9 3HD1 ILE 9 -5.009 5.114 -6.734 74 H GLY 10 H GLY 10 -3.191 8.219 -2.309 75 1HA GLY 10 2HA GLY 10 -0.558 9.084 -1.289 76 2HA GLY 10 3HA GLY 10 -1.901 10.236 -1.365 77 HA PRO 11 HA PRO 11 -3.465 8.695 2.417 78 1HB PRO 11 2HB PRO 11 -6.198 8.358 2.094 79 2HB PRO 11 3HB PRO 11 -5.371 9.927 2.274 80 1HG PRO 11 2HG PRO 11 -6.218 8.579 -0.297 81 2HG PRO 11 3HG PRO 11 -6.455 10.280 0.187 82 1HD PRO 11 2HD PRO 11 -4.423 9.591 -1.439 83 2HD PRO 11 3HD PRO 11 -4.151 10.791 -0.150 84 H PHE 12 H PHE 12 -5.037 6.794 -0.234 85 HA PHE 12 HA PHE 12 -5.493 4.498 1.282 86 1HB PHE 12 2HB PHE 12 -6.027 5.284 -1.249 87 2HB PHE 12 3HB PHE 12 -4.820 4.027 -1.569 88 HD1 PHE 12 1HD PHE 12 -8.167 4.618 -1.632 89 HD2 PHE 12 2HD PHE 12 -5.355 1.786 0.029 90 HE1 PHE 12 1HE PHE 12 -9.910 2.878 -1.642 91 HE2 PHE 12 2HE PHE 12 -7.139 0.064 0.069 92 HZ PHE 12 HZ PHE 12 -9.426 0.624 -0.752 93 H THR 13 H THR 13 -2.622 5.296 -0.738 94 HA THR 13 HA THR 13 -1.314 2.772 -0.259 95 HB THR 13 HB THR 13 -0.807 4.022 -2.230 96 HG1 THR 13 1HG THR 13 1.451 3.888 -0.530 97 1HG2 THR 13 1HG2 THR 13 -1.007 6.328 -1.400 98 2HG2 THR 13 2HG2 THR 13 0.504 6.150 -0.485 99 3HG2 THR 13 3HG2 THR 13 0.508 6.059 -2.249 100 H GLN 14 H GLN 14 -1.100 6.047 1.330 101 HA GLN 14 HA GLN 14 0.863 5.212 3.228 102 1HB GLN 14 2HB GLN 14 -1.113 7.440 2.965 103 2HB GLN 14 3HB GLN 14 -0.772 6.954 4.598 104 1HG GLN 14 2HG GLN 14 0.769 8.680 4.115 105 2HG GLN 14 3HG GLN 14 1.704 7.187 4.127 106 1HE2 GLN 14 2HE2 GLN 14 1.093 10.038 2.384 107 2HE2 GLN 14 1HE2 GLN 14 1.784 9.524 0.856 108 H ASN 15 H ASN 15 -2.680 4.934 3.206 109 HA ASN 15 HA ASN 15 -2.983 3.928 5.812 110 1HB ASN 15 2HB ASN 15 -4.773 4.734 4.171 111 2HB ASN 15 3HB ASN 15 -4.765 3.120 3.477 112 1HD2 ASN 15 2HD2 ASN 15 -5.626 1.338 4.729 113 2HD2 ASN 15 1HD2 ASN 15 -6.489 1.644 6.228 114 H LEU 16 H LEU 16 -2.468 2.231 2.718 115 HA LEU 16 HA LEU 16 -2.437 -0.466 3.832 116 1HB LEU 16 2HB LEU 16 -1.090 0.761 1.384 117 2HB LEU 16 3HB LEU 16 -0.981 -0.946 1.809 118 HG LEU 16 HG LEU 16 -3.587 0.513 1.125 119 1HD1 LEU 16 1HD1 LEU 16 -2.010 0.142 -0.761 120 2HD1 LEU 16 2HD1 LEU 16 -2.040 -1.599 -0.395 121 3HD1 LEU 16 3HD1 LEU 16 -3.531 -0.748 -0.865 122 1HD2 LEU 16 1HD2 LEU 16 -2.999 -2.313 1.996 123 2HD2 LEU 16 2HD2 LEU 16 -4.189 -1.188 2.683 124 3HD2 LEU 16 3HD2 LEU 16 -4.455 -1.870 1.075 125 H ALA 17 H ALA 17 0.229 1.895 3.221 126 HA ALA 17 HA ALA 17 2.318 0.276 4.188 127 1HB ALA 17 1HB ALA 17 2.609 2.426 2.996 128 2HB ALA 17 2HB ALA 17 2.033 3.300 4.429 129 3HB ALA 17 3HB ALA 17 3.535 2.365 4.513 130 H LYS 18 H LYS 18 0.177 2.527 5.969 131 HA LYS 18 HA LYS 18 1.288 1.988 8.524 132 1HB LYS 18 2HB LYS 18 -0.851 3.610 7.470 133 2HB LYS 18 3HB LYS 18 -1.552 2.622 8.739 134 1HG LYS 18 2HG LYS 18 0.876 4.447 9.008 135 2HG LYS 18 3HG LYS 18 -0.768 4.746 9.596 136 1HD LYS 18 2HD LYS 18 -0.501 2.533 10.936 137 2HD LYS 18 3HD LYS 18 1.234 2.680 10.602 138 1HE LYS 18 2HE LYS 18 1.196 4.984 11.620 139 2HE LYS 18 3HE LYS 18 -0.512 4.735 12.032 140 1HZ LYS 18 1HZ LYS 18 0.162 2.846 13.348 141 2HZ LYS 18 2HZ LYS 18 1.748 3.134 12.999 142 3HZ LYS 18 3HZ LYS 18 0.881 4.234 13.866 143 H PHE 19 H PHE 19 -1.645 0.632 6.966 144 HA PHE 19 HA PHE 19 -2.540 -1.004 8.974 145 1HB PHE 19 2HB PHE 19 -3.681 -0.598 6.775 146 2HB PHE 19 3HB PHE 19 -2.563 -1.719 6.014 147 HD1 PHE 19 1HD PHE 19 -4.070 -3.459 5.249 148 HD2 PHE 19 2HD PHE 19 -4.486 -1.973 9.281 149 HE1 PHE 19 1HE PHE 19 -5.585 -5.341 5.803 150 HE2 PHE 19 2HE PHE 19 -6.085 -3.769 9.777 151 HZ PHE 19 HZ PHE 19 -6.599 -5.517 8.163 152 H ALA 20 H ALA 20 -0.161 -1.780 6.461 153 HA ALA 20 HA ALA 20 0.616 -4.362 7.093 154 1HB ALA 20 1HB ALA 20 1.516 -3.034 5.229 155 2HB ALA 20 2HB ALA 20 2.500 -2.115 6.391 156 3HB ALA 20 3HB ALA 20 2.764 -3.857 6.191 157 H VAL 21 H VAL 21 1.974 -1.392 8.679 158 HA VAL 21 HA VAL 21 3.564 -3.052 10.452 159 HB VAL 21 HB VAL 21 2.942 -0.071 10.593 160 1HG1 VAL 21 1HG1 VAL 21 3.908 -1.030 12.700 161 2HG1 VAL 21 2HG1 VAL 21 5.183 -1.828 11.757 162 3HG1 VAL 21 3HG1 VAL 21 5.126 -0.064 11.870 163 1HG2 VAL 21 1HG2 VAL 21 4.974 -1.662 9.052 164 2HG2 VAL 21 2HG2 VAL 21 3.930 -0.365 8.469 165 3HG2 VAL 21 3HG2 VAL 21 5.308 0.015 9.505 166 H ASP 22 H ASP 22 0.676 -1.037 10.768 167 HA ASP 22 HA ASP 22 0.189 -1.130 13.506 168 1HB ASP 22 2HB ASP 22 -1.019 0.385 12.106 169 2HB ASP 22 3HB ASP 22 -1.614 -0.919 11.072 170 H GLU 23 H GLU 23 -1.465 -3.192 11.055 171 HA GLU 23 HA GLU 23 -2.725 -4.834 12.981 172 1HB GLU 23 2HB GLU 23 -2.790 -4.519 10.213 173 2HB GLU 23 3HB GLU 23 -2.109 -6.148 10.409 174 1HG GLU 23 2HG GLU 23 -4.671 -5.179 11.757 175 2HG GLU 23 3HG GLU 23 -4.634 -5.857 10.126 176 H GLU 24 H GLU 24 0.454 -5.136 11.300 177 HA GLU 24 HA GLU 24 1.051 -7.712 12.315 178 1HB GLU 24 2HB GLU 24 2.397 -6.350 10.576 179 2HB GLU 24 3HB GLU 24 3.199 -5.570 11.947 180 1HG GLU 24 2HG GLU 24 3.031 -8.490 11.183 181 2HG GLU 24 3HG GLU 24 4.463 -7.444 11.112 182 H ASN 25 H ASN 25 1.772 -4.465 13.693 183 HA ASN 25 HA ASN 25 2.956 -5.304 16.103 184 1HB ASN 25 2HB ASN 25 1.882 -2.789 14.981 185 2HB ASN 25 3HB ASN 25 1.519 -2.930 16.687 186 1HD2 ASN 25 2HD2 ASN 25 4.290 -3.509 14.447 187 2HD2 ASN 25 1HD2 ASN 25 5.490 -2.847 15.553 188 H LYS 26 H LYS 26 -0.482 -4.763 15.328 189 HA LYS 26 HA LYS 26 -1.555 -5.134 17.896 190 1HB LYS 26 2HB LYS 26 -2.769 -4.237 16.040 191 2HB LYS 26 3HB LYS 26 -2.679 -5.743 15.139 192 1HG LYS 26 2HG LYS 26 -4.055 -5.714 17.838 193 2HG LYS 26 3HG LYS 26 -4.844 -5.012 16.416 194 1HD LYS 26 2HD LYS 26 -4.451 -7.187 15.178 195 2HD LYS 26 3HD LYS 26 -3.886 -7.894 16.692 196 1HE LYS 26 2HE LYS 26 -6.177 -8.516 16.346 197 2HE LYS 26 3HE LYS 26 -6.109 -7.403 17.725 198 1HZ LYS 26 1HZ LYS 26 -6.843 -5.662 16.264 199 2HZ LYS 26 2HZ LYS 26 -6.819 -6.672 14.961 200 3HZ LYS 26 3HZ LYS 26 -7.896 -6.925 16.183 201 H ILE 27 H ILE 27 -0.220 -7.550 15.667 202 HA ILE 27 HA ILE 27 -1.195 -9.740 17.461 203 HB ILE 27 HB ILE 27 -0.199 -9.847 14.595 204 1HG1 ILE 27 2HG1 ILE 27 -2.972 -10.374 15.757 205 2HG1 ILE 27 3HG1 ILE 27 -2.496 -8.876 14.942 206 1HG2 ILE 27 1HG2 ILE 27 0.492 -11.871 15.685 207 2HG2 ILE 27 2HG2 ILE 27 -1.002 -11.964 16.639 208 3HG2 ILE 27 3HG2 ILE 27 -1.036 -12.279 14.909 209 1HD1 ILE 27 1HD1 ILE 27 -1.962 -10.147 12.879 210 2HD1 ILE 27 2HD1 ILE 27 -2.639 -11.612 13.631 211 3HD1 ILE 27 3HD1 ILE 27 -3.668 -10.207 13.359 212 H GLY 28 H GLY 28 1.741 -9.007 15.516 213 1HA GLY 28 2HA GLY 28 3.955 -9.093 16.179 214 2HA GLY 28 3HA GLY 28 3.506 -9.777 17.740 215 H GLN 29 H GLN 29 3.102 -10.752 14.306 216 HA GLN 29 HA GLN 29 4.099 -13.505 14.848 217 1HB GLN 29 2HB GLN 29 2.773 -12.146 12.488 218 2HB GLN 29 3HB GLN 29 3.966 -13.394 12.182 219 1HG GLN 29 2HG GLN 29 2.237 -14.745 12.141 220 2HG GLN 29 3HG GLN 29 2.652 -14.897 13.842 221 1HE2 GLN 29 2HE2 GLN 29 0.757 -12.517 11.841 222 2HE2 GLN 29 1HE2 GLN 29 -0.697 -12.666 12.811 223 H TYR 30 H TYR 30 4.938 -10.743 12.708 224 HA TYR 30 HA TYR 30 7.754 -11.786 12.541 225 1HB TYR 30 2HB TYR 30 7.610 -10.664 10.171 226 2HB TYR 30 3HB TYR 30 7.127 -12.317 10.467 227 HD1 TYR 30 1HD TYR 30 5.850 -8.934 9.569 228 HD2 TYR 30 2HD TYR 30 4.921 -13.108 10.117 229 HE1 TYR 30 1HE TYR 30 3.603 -8.562 8.635 230 HE2 TYR 30 2HE TYR 30 2.689 -12.737 9.128 231 HH TYR 30 HH TYR 30 1.240 -11.192 8.199 232 H GLY 31 H GLY 31 5.920 -8.844 11.732 233 1HA GLY 31 2HA GLY 31 6.357 -6.663 12.718 234 2HA GLY 31 3HA GLY 31 7.999 -7.167 13.103 235 H ARG 32 H ARG 32 6.870 -4.900 11.441 236 HA ARG 32 HA ARG 32 7.761 -5.342 8.724 237 1HB ARG 32 2HB ARG 32 5.898 -3.831 9.324 238 2HB ARG 32 3HB ARG 32 7.033 -2.849 10.256 239 1HG ARG 32 2HG ARG 32 7.161 -1.613 8.432 240 2HG ARG 32 3HG ARG 32 8.301 -2.812 7.842 241 1HD ARG 32 2HD ARG 32 6.652 -3.875 6.466 242 2HD ARG 32 3HD ARG 32 5.341 -2.935 7.210 243 HE ARG 32 HE ARG 32 7.426 -1.283 6.034 244 1HH1 ARG 32 1HH2 ARG 32 4.513 -3.091 5.221 245 2HH1 ARG 32 2HH2 ARG 32 3.987 -1.972 3.993 246 1HH2 ARG 32 1HH1 ARG 32 6.778 0.172 4.423 247 2HH2 ARG 32 2HH1 ARG 32 5.325 -0.107 3.502 248 H LEU 33 H LEU 33 9.775 -6.298 10.008 249 HA LEU 33 HA LEU 33 11.866 -6.089 10.983 250 1HB LEU 33 2HB LEU 33 12.039 -4.435 8.466 251 2HB LEU 33 3HB LEU 33 13.407 -5.181 9.301 252 HG LEU 33 HG LEU 33 12.801 -6.412 7.325 253 1HD1 LEU 33 1HD1 LEU 33 13.803 -7.599 9.286 254 2HD1 LEU 33 2HD1 LEU 33 12.170 -8.101 9.762 255 3HD1 LEU 33 3HD1 LEU 33 12.841 -8.634 8.209 256 1HD2 LEU 33 1HD2 LEU 33 10.296 -7.538 8.516 257 2HD2 LEU 33 2HD2 LEU 33 10.210 -6.081 7.506 258 3HD2 LEU 33 3HD2 LEU 33 10.878 -7.587 6.858 259 H THR 34 H THR 34 13.167 -3.277 9.962 260 HA THR 34 HA THR 34 12.177 -1.664 12.300 261 HB THR 34 HB THR 34 14.937 -1.691 11.074 262 HG1 THR 34 1HG THR 34 15.458 -2.568 13.145 263 1HG2 THR 34 1HG2 THR 34 14.367 0.548 11.920 264 2HG2 THR 34 2HG2 THR 34 13.794 -0.152 13.453 265 3HG2 THR 34 3HG2 THR 34 15.513 -0.234 13.018 266 H PHE 35 H PHE 35 10.633 -0.430 11.261 267 HA PHE 35 HA PHE 35 9.741 0.554 9.265 268 1HB PHE 35 2HB PHE 35 11.156 2.334 11.234 269 2HB PHE 35 3HB PHE 35 10.290 3.044 9.885 270 HD1 PHE 35 1HD PHE 35 7.868 2.007 9.411 271 HD2 PHE 35 2HD PHE 35 9.826 2.284 13.249 272 HE1 PHE 35 1HE PHE 35 5.681 2.101 10.524 273 HE2 PHE 35 2HE PHE 35 7.613 2.431 14.355 274 HZ PHE 35 HZ PHE 35 5.532 2.356 12.998 275 H ASN 36 H ASN 36 10.673 -0.113 7.320 276 HA ASN 36 HA ASN 36 13.058 1.253 6.316 277 1HB ASN 36 2HB ASN 36 12.885 -0.526 4.626 278 2HB ASN 36 3HB ASN 36 12.991 -1.164 6.263 279 1HD2 ASN 36 2HD2 ASN 36 11.011 -2.073 7.306 280 2HD2 ASN 36 1HD2 ASN 36 9.682 -2.567 6.266 281 H LYS 37 H LYS 37 11.124 0.241 3.752 282 HA LYS 37 HA LYS 37 9.374 2.405 3.461 283 1HB LYS 37 2HB LYS 37 11.707 3.536 3.238 284 2HB LYS 37 3HB LYS 37 11.868 2.685 1.701 285 1HG LYS 37 2HG LYS 37 10.009 3.895 0.758 286 2HG LYS 37 3HG LYS 37 9.429 4.364 2.375 287 1HD LYS 37 2HD LYS 37 11.639 5.674 2.628 288 2HD LYS 37 3HD LYS 37 11.824 5.473 0.875 289 1HE LYS 37 2HE LYS 37 9.627 6.603 0.537 290 2HE LYS 37 3HE LYS 37 9.395 6.690 2.295 291 1HZ LYS 37 1HZ LYS 37 11.338 8.062 2.434 292 2HZ LYS 37 2HZ LYS 37 11.510 8.046 0.795 293 3HZ LYS 37 3HZ LYS 37 10.181 8.739 1.480 294 H VAL 38 H VAL 38 8.441 2.342 1.204 295 HA VAL 38 HA VAL 38 8.579 -0.411 0.078 296 HB VAL 38 HB VAL 38 6.442 0.174 1.020 297 1HG1 VAL 38 1HG1 VAL 38 6.479 2.652 0.857 298 2HG1 VAL 38 2HG1 VAL 38 6.388 2.545 -0.914 299 3HG1 VAL 38 3HG1 VAL 38 5.035 2.001 0.089 300 1HG2 VAL 38 1HG2 VAL 38 6.360 0.102 -2.013 301 2HG2 VAL 38 2HG2 VAL 38 6.302 -1.264 -0.872 302 3HG2 VAL 38 3HG2 VAL 38 4.964 -0.120 -0.949 303 H ILE 39 H ILE 39 8.984 -0.670 -2.139 304 HA ILE 39 HA ILE 39 10.427 1.594 -3.332 305 HB ILE 39 HB ILE 39 11.104 0.143 -5.063 306 1HG1 ILE 39 2HG1 ILE 39 10.290 -2.344 -4.922 307 2HG1 ILE 39 3HG1 ILE 39 8.836 -1.644 -4.188 308 1HG2 ILE 39 1HG2 ILE 39 12.105 -0.151 -2.770 309 2HG2 ILE 39 2HG2 ILE 39 11.044 -1.566 -2.559 310 3HG2 ILE 39 3HG2 ILE 39 12.265 -1.549 -3.843 311 1HD1 ILE 39 1HD1 ILE 39 8.306 -0.496 -6.256 312 2HD1 ILE 39 2HD1 ILE 39 9.942 -0.784 -6.900 313 3HD1 ILE 39 3HD1 ILE 39 8.802 -2.124 -6.696 314 H ARG 40 H ARG 40 9.908 2.008 -5.819 315 HA ARG 40 HA ARG 40 7.120 1.804 -6.429 316 1HB ARG 40 2HB ARG 40 8.420 4.441 -5.725 317 2HB ARG 40 3HB ARG 40 7.374 4.422 -7.133 318 1HG ARG 40 2HG ARG 40 5.627 3.219 -5.571 319 2HG ARG 40 3HG ARG 40 6.637 3.839 -4.254 320 1HD ARG 40 2HD ARG 40 6.353 6.142 -5.164 321 2HD ARG 40 3HD ARG 40 5.402 5.481 -6.519 322 HE ARG 40 HE ARG 40 4.250 4.681 -4.027 323 1HH1 ARG 40 1HH2 ARG 40 4.615 7.502 -6.120 324 2HH1 ARG 40 2HH2 ARG 40 3.147 8.274 -5.587 325 1HH2 ARG 40 1HH1 ARG 40 2.338 5.688 -3.300 326 2HH2 ARG 40 2HH1 ARG 40 1.812 7.221 -3.945 327 HA PRO 41 HA PRO 41 5.913 3.073 -8.163 328 1HB PRO 41 2HB PRO 41 4.806 2.328 -10.505 329 2HB PRO 41 3HB PRO 41 5.803 3.802 -10.344 330 1HG PRO 41 2HG PRO 41 6.683 1.089 -11.355 331 2HG PRO 41 3HG PRO 41 6.958 2.684 -12.115 332 1HD PRO 41 2HD PRO 41 8.835 1.441 -10.517 333 2HD PRO 41 3HD PRO 41 8.667 3.216 -10.563 334 H CYS 42 H CYS 42 3.918 1.754 -8.122 335 HA CYS 42 HA CYS 42 4.407 -1.140 -7.481 336 1HB CYS 42 2HB CYS 42 2.803 1.029 -6.106 337 2HB CYS 42 3HB CYS 42 2.347 -0.659 -5.903 338 HG CYS 42 HG CYS 42 5.416 0.533 -5.548 339 H MET 43 H MET 43 1.827 -2.114 -7.480 340 HA MET 43 HA MET 43 0.427 -1.019 -9.811 341 1HB MET 43 2HB MET 43 2.305 -2.366 -10.769 342 2HB MET 43 3HB MET 43 1.704 -3.795 -9.909 343 1HG MET 43 2HG MET 43 -0.284 -3.814 -11.231 344 2HG MET 43 3HG MET 43 0.004 -2.182 -11.844 345 1HE MET 43 1HE MET 43 2.653 -5.137 -11.690 346 2HE MET 43 2HE MET 43 1.109 -5.937 -12.090 347 3HE MET 43 3HE MET 43 2.401 -5.830 -13.308 348 H LYS 44 H LYS 44 -1.693 -1.921 -10.083 349 HA LYS 44 HA LYS 44 -2.572 -3.743 -7.879 350 1HB LYS 44 2HB LYS 44 -4.227 -2.388 -6.999 351 2HB LYS 44 3HB LYS 44 -2.768 -1.383 -7.028 352 1HG LYS 44 2HG LYS 44 -3.613 -0.104 -8.868 353 2HG LYS 44 3HG LYS 44 -4.970 -1.242 -9.141 354 1HD LYS 44 2HD LYS 44 -6.050 -0.684 -7.097 355 2HD LYS 44 3HD LYS 44 -4.620 0.188 -6.538 356 1HE LYS 44 2HE LYS 44 -5.704 2.040 -7.166 357 2HE LYS 44 3HE LYS 44 -5.148 1.641 -8.793 358 1HZ LYS 44 1HZ LYS 44 -7.279 0.561 -9.153 359 2HZ LYS 44 2HZ LYS 44 -7.747 0.919 -7.608 360 3HZ LYS 44 3HZ LYS 44 -7.476 2.130 -8.685 361 H LYS 45 H LYS 45 -4.920 -4.427 -8.081 362 HA LYS 45 HA LYS 45 -5.939 -4.475 -10.841 363 1HB LYS 45 2HB LYS 45 -3.939 -5.810 -11.043 364 2HB LYS 45 3HB LYS 45 -4.316 -6.705 -9.569 365 1HG LYS 45 2HG LYS 45 -6.522 -7.076 -11.422 366 2HG LYS 45 3HG LYS 45 -5.011 -7.218 -12.311 367 1HD LYS 45 2HD LYS 45 -4.206 -8.769 -10.426 368 2HD LYS 45 3HD LYS 45 -5.873 -8.741 -9.834 369 1HE LYS 45 2HE LYS 45 -6.643 -9.637 -12.058 370 2HE LYS 45 3HE LYS 45 -4.974 -9.580 -12.653 371 1HZ LYS 45 1HZ LYS 45 -4.372 -11.168 -10.977 372 2HZ LYS 45 2HZ LYS 45 -5.932 -11.275 -10.462 373 3HZ LYS 45 3HZ LYS 45 -5.531 -11.763 -11.985 374 H THR 46 H THR 46 -8.011 -5.291 -10.892 375 HA THR 46 HA THR 46 -9.212 -6.283 -8.402 376 HB THR 46 HB THR 46 -10.396 -4.694 -9.839 377 HG1 THR 46 1HG THR 46 -11.447 -6.116 -8.397 378 1HG2 THR 46 1HG2 THR 46 -9.722 -5.773 -12.066 379 2HG2 THR 46 2HG2 THR 46 -10.964 -6.984 -11.723 380 3HG2 THR 46 3HG2 THR 46 -11.425 -5.289 -11.888 381 H ILE 47 H ILE 47 -8.344 -8.214 -7.881 382 HA ILE 47 HA ILE 47 -7.663 -10.229 -9.845 383 HB ILE 47 HB ILE 47 -6.362 -10.298 -7.890 384 1HG1 ILE 47 2HG1 ILE 47 -8.396 -12.582 -7.594 385 2HG1 ILE 47 3HG1 ILE 47 -7.147 -12.528 -8.837 386 1HG2 ILE 47 1HG2 ILE 47 -7.706 -9.108 -6.341 387 2HG2 ILE 47 2HG2 ILE 47 -8.970 -10.372 -6.374 388 3HG2 ILE 47 3HG2 ILE 47 -7.380 -10.676 -5.633 389 1HD1 ILE 47 1HD1 ILE 47 -5.423 -12.377 -6.943 390 2HD1 ILE 47 2HD1 ILE 47 -6.748 -12.728 -5.810 391 3HD1 ILE 47 3HD1 ILE 47 -6.324 -13.903 -7.050 392 H TYR 48 H TYR 48 -8.741 -11.909 -10.575 393 HA TYR 48 HA TYR 48 -11.613 -12.235 -9.764 394 1HB TYR 48 2HB TYR 48 -9.984 -13.089 -12.187 395 2HB TYR 48 3HB TYR 48 -11.710 -13.342 -12.069 396 HD1 TYR 48 1HD TYR 48 -12.489 -10.668 -10.926 397 HD2 TYR 48 2HD TYR 48 -9.772 -11.698 -14.078 398 HE1 TYR 48 1HE TYR 48 -12.958 -8.489 -12.013 399 HE2 TYR 48 2HE TYR 48 -10.204 -9.522 -15.167 400 HH TYR 48 HH TYR 48 -11.350 -7.530 -15.050 401 H GLU 49 H GLU 49 -12.389 -14.425 -10.259 402 HA GLU 49 HA GLU 49 -11.266 -16.007 -8.068 403 1HB GLU 49 2HB GLU 49 -13.414 -17.094 -8.158 404 2HB GLU 49 3HB GLU 49 -13.561 -15.324 -8.045 405 1HG GLU 49 2HG GLU 49 -13.816 -16.603 -10.778 406 2HG GLU 49 3HG GLU 49 -15.104 -16.745 -9.601 407 H ASN 50 H ASN 50 -9.572 -16.159 -9.959 408 HA ASN 50 HA ASN 50 -9.901 -18.153 -11.986 409 1HB ASN 50 2HB ASN 50 -7.446 -16.914 -10.693 410 2HB ASN 50 3HB ASN 50 -7.338 -18.136 -11.969 411 1HD2 ASN 50 2HD2 ASN 50 -6.396 -16.789 -13.529 412 2HD2 ASN 50 1HD2 ASN 50 -7.320 -15.508 -14.295 413 H GLU 51 H GLU 51 -11.076 -19.605 -10.397 414 HA GLU 51 HA GLU 51 -9.611 -21.974 -10.120 415 1HB GLU 51 2HB GLU 51 -8.987 -20.624 -7.965 416 2HB GLU 51 3HB GLU 51 -10.675 -20.830 -7.493 417 1HG GLU 51 2HG GLU 51 -9.294 -22.514 -6.413 418 2HG GLU 51 3HG GLU 51 -10.309 -23.342 -7.595 419 H GLY 52 H GLY 52 -11.733 -21.199 -11.641 420 1HA GLY 52 2HA GLY 52 -13.847 -21.772 -12.309 421 2HA GLY 52 3HA GLY 52 -13.456 -23.296 -11.508 422 H PHE 53 H PHE 53 -14.563 -19.985 -10.624 423 HA PHE 53 HA PHE 53 -16.884 -21.056 -9.253 424 1HB PHE 53 2HB PHE 53 -14.788 -21.209 -7.667 425 2HB PHE 53 3HB PHE 53 -14.905 -19.461 -7.576 426 HD1 PHE 53 1HD PHE 53 -15.944 -18.809 -5.539 427 HD2 PHE 53 2HD PHE 53 -17.147 -22.503 -7.398 428 HE1 PHE 53 1HE PHE 53 -17.587 -19.195 -3.714 429 HE2 PHE 53 2HE PHE 53 -18.784 -22.886 -5.578 430 HZ PHE 53 HZ PHE 53 -19.016 -21.227 -3.740 431 H ARG 54 H ARG 54 -17.512 -18.690 -7.775 432 HA ARG 54 HA ARG 54 -17.228 -16.456 -9.687 433 1HB ARG 54 2HB ARG 54 -19.357 -17.872 -10.186 434 2HB ARG 54 3HB ARG 54 -19.996 -17.128 -8.731 435 1HG ARG 54 2HG ARG 54 -20.579 -15.356 -9.986 436 2HG ARG 54 3HG ARG 54 -18.885 -14.930 -10.086 437 1HD ARG 54 2HD ARG 54 -18.940 -15.195 -12.309 438 2HD ARG 54 3HD ARG 54 -19.286 -16.914 -12.115 439 HE ARG 54 HE ARG 54 -21.611 -15.171 -11.794 440 1HH1 ARG 54 1HH2 ARG 54 -19.658 -16.895 -14.190 441 2HH1 ARG 54 2HH2 ARG 54 -20.915 -16.911 -15.395 442 1HH2 ARG 54 1HH1 ARG 54 -23.230 -15.157 -13.362 443 2HH2 ARG 54 2HH1 ARG 54 -22.979 -15.893 -14.919 444 H GLU 55 H GLU 55 -15.878 -16.590 -7.365 445 HA GLU 55 HA GLU 55 -17.165 -14.481 -5.690 446 1HB GLU 55 2HB GLU 55 -17.231 -16.896 -4.800 447 2HB GLU 55 3HB GLU 55 -15.492 -16.734 -4.528 448 1HG GLU 55 2HG GLU 55 -17.687 -14.949 -3.360 449 2HG GLU 55 3HG GLU 55 -16.883 -16.272 -2.512 450 H ILE 56 H ILE 56 -15.916 -13.022 -7.031 451 HA ILE 56 HA ILE 56 -13.168 -13.089 -7.494 452 HB ILE 56 HB ILE 56 -13.318 -10.723 -7.855 453 1HG1 ILE 56 2HG1 ILE 56 -14.453 -9.857 -6.039 454 2HG1 ILE 56 3HG1 ILE 56 -15.309 -9.439 -7.529 455 1HG2 ILE 56 1HG2 ILE 56 -14.240 -12.093 -9.591 456 2HG2 ILE 56 2HG2 ILE 56 -15.869 -11.994 -8.867 457 3HG2 ILE 56 3HG2 ILE 56 -15.071 -10.545 -9.496 458 1HD1 ILE 56 1HD1 ILE 56 -17.039 -11.192 -7.014 459 2HD1 ILE 56 2HD1 ILE 56 -16.254 -11.441 -5.432 460 3HD1 ILE 56 3HD1 ILE 56 -16.959 -9.881 -5.835 461 H LYS 57 H LYS 57 -11.331 -12.305 -6.395 462 HA LYS 57 HA LYS 57 -11.636 -12.193 -3.485 463 1HB LYS 57 2HB LYS 57 -9.916 -13.627 -4.909 464 2HB LYS 57 3HB LYS 57 -8.970 -12.147 -4.824 465 1HG LYS 57 2HG LYS 57 -8.229 -13.213 -2.903 466 2HG LYS 57 3HG LYS 57 -9.531 -12.236 -2.245 467 1HD LYS 57 2HD LYS 57 -9.858 -14.358 -1.287 468 2HD LYS 57 3HD LYS 57 -11.065 -14.318 -2.581 469 1HE LYS 57 2HE LYS 57 -9.587 -15.680 -4.026 470 2HE LYS 57 3HE LYS 57 -8.282 -15.576 -2.831 471 1HZ LYS 57 1HZ LYS 57 -9.662 -16.780 -1.308 472 2HZ LYS 57 2HZ LYS 57 -10.867 -16.898 -2.428 473 3HZ LYS 57 3HZ LYS 57 -9.417 -17.636 -2.692 474 H GLY 58 H GLY 58 -12.180 -9.906 -5.539 475 1HA GLY 58 2HA GLY 58 -12.502 -7.683 -5.016 476 2HA GLY 58 3HA GLY 58 -11.472 -7.865 -3.618 477 H TYR 59 H TYR 59 -10.787 -5.712 -4.239 478 HA TYR 59 HA TYR 59 -8.895 -5.467 -6.463 479 1HB TYR 59 2HB TYR 59 -9.969 -3.678 -4.286 480 2HB TYR 59 3HB TYR 59 -8.337 -3.371 -4.853 481 HD1 TYR 59 1HD TYR 59 -8.072 -3.578 -7.488 482 HD2 TYR 59 2HD TYR 59 -11.615 -2.333 -5.408 483 HE1 TYR 59 1HE TYR 59 -8.813 -2.325 -9.517 484 HE2 TYR 59 2HE TYR 59 -12.347 -1.060 -7.401 485 HH TYR 59 HH TYR 59 -11.848 -0.435 -9.566 486 H GLU 60 H GLU 60 -6.811 -6.109 -6.351 487 HA GLU 60 HA GLU 60 -5.605 -6.515 -3.692 488 1HB GLU 60 2HB GLU 60 -5.308 -8.020 -6.244 489 2HB GLU 60 3HB GLU 60 -3.818 -7.525 -5.434 490 1HG GLU 60 2HG GLU 60 -4.684 -8.517 -3.280 491 2HG GLU 60 3HG GLU 60 -6.022 -9.210 -4.212 492 H TYR 61 H TYR 61 -3.962 -5.240 -3.224 493 HA TYR 61 HA TYR 61 -2.775 -3.385 -5.282 494 1HB TYR 61 2HB TYR 61 -2.611 -3.289 -2.239 495 2HB TYR 61 3HB TYR 61 -1.902 -2.139 -3.366 496 HD1 TYR 61 1HD TYR 61 -4.915 -3.141 -1.550 497 HD2 TYR 61 2HD TYR 61 -3.310 -0.461 -4.510 498 HE1 TYR 61 1HE TYR 61 -7.071 -1.983 -1.670 499 HE2 TYR 61 2HE TYR 61 -5.463 0.806 -4.494 500 HH TYR 61 HH TYR 61 -8.400 -0.578 -3.017 501 H GLN 62 H GLN 62 -0.826 -4.262 -6.068 502 HA GLN 62 HA GLN 62 0.660 -6.155 -4.304 503 1HB GLN 62 2HB GLN 62 0.119 -7.038 -6.485 504 2HB GLN 62 3HB GLN 62 0.834 -5.641 -7.304 505 1HG GLN 62 2HG GLN 62 2.456 -7.384 -5.395 506 2HG GLN 62 3HG GLN 62 2.205 -7.863 -7.072 507 1HE2 GLN 62 2HE2 GLN 62 2.856 -6.266 -8.802 508 2HE2 GLN 62 1HE2 GLN 62 4.265 -5.273 -8.467 509 H LEU 63 H LEU 63 2.290 -5.242 -3.166 510 HA LEU 63 HA LEU 63 3.817 -3.093 -4.405 511 1HB LEU 63 2HB LEU 63 3.678 -1.652 -2.413 512 2HB LEU 63 3HB LEU 63 2.180 -1.826 -3.328 513 HG LEU 63 HG LEU 63 1.472 -3.571 -1.547 514 1HD1 LEU 63 1HD1 LEU 63 3.734 -3.715 -0.452 515 2HD1 LEU 63 2HD1 LEU 63 3.593 -2.014 0.021 516 3HD1 LEU 63 3HD1 LEU 63 2.465 -3.218 0.678 517 1HD2 LEU 63 1HD2 LEU 63 1.711 -0.607 -0.902 518 2HD2 LEU 63 2HD2 LEU 63 0.400 -1.402 -1.802 519 3HD2 LEU 63 3HD2 LEU 63 0.633 -1.757 -0.082 520 H TYR 64 H TYR 64 5.801 -2.694 -3.337 521 HA TYR 64 HA TYR 64 6.959 -5.280 -2.410 522 1HB TYR 64 2HB TYR 64 7.468 -3.376 -4.658 523 2HB TYR 64 3HB TYR 64 8.896 -3.979 -3.855 524 HD1 TYR 64 1HD TYR 64 8.686 -6.689 -3.298 525 HD2 TYR 64 2HD TYR 64 6.880 -4.569 -6.595 526 HE1 TYR 64 1HE TYR 64 8.687 -8.766 -4.639 527 HE2 TYR 64 2HE TYR 64 6.826 -6.661 -7.906 528 HH TYR 64 HH TYR 64 7.308 -8.916 -7.931 529 H VAL 65 H VAL 65 7.434 -5.055 -0.323 530 HA VAL 65 HA VAL 65 8.126 -2.406 0.787 531 HB VAL 65 HB VAL 65 7.516 -5.092 2.053 532 1HG1 VAL 65 1HG1 VAL 65 9.015 -3.757 3.480 533 2HG1 VAL 65 2HG1 VAL 65 7.947 -2.353 3.323 534 3HG1 VAL 65 3HG1 VAL 65 7.387 -3.826 4.158 535 1HG2 VAL 65 1HG2 VAL 65 5.887 -2.518 1.847 536 2HG2 VAL 65 2HG2 VAL 65 5.582 -4.007 0.935 537 3HG2 VAL 65 3HG2 VAL 65 5.404 -4.005 2.693 538 H TYR 66 H TYR 66 10.264 -1.835 1.215 539 HA TYR 66 HA TYR 66 12.311 -3.828 0.553 540 1HB TYR 66 2HB TYR 66 12.076 -1.469 -0.506 541 2HB TYR 66 3HB TYR 66 12.668 -0.854 1.002 542 HD1 TYR 66 1HD TYR 66 13.723 -3.791 -1.049 543 HD2 TYR 66 2HD TYR 66 14.837 -0.004 0.624 544 HE1 TYR 66 1HE TYR 66 16.102 -4.241 -1.646 545 HE2 TYR 66 2HE TYR 66 17.161 -0.339 -0.182 546 HH TYR 66 HH TYR 66 18.456 -3.301 -1.029 547 H ALA 67 H ALA 67 11.766 -4.837 2.716 548 HA ALA 67 HA ALA 67 12.664 -3.253 5.111 549 1HB ALA 67 1HB ALA 67 10.361 -4.373 5.060 550 2HB ALA 67 2HB ALA 67 11.230 -5.913 5.144 551 3HB ALA 67 3HB ALA 67 11.434 -4.686 6.414 552 H SER 68 H SER 68 14.149 -4.298 6.607 553 HA SER 68 HA SER 68 16.293 -4.976 6.796 554 1HB SER 68 2HB SER 68 16.515 -7.485 6.790 555 2HB SER 68 3HB SER 68 15.221 -6.773 7.763 556 HG SER 68 HG SER 68 14.521 -8.580 6.581 557 H ASP 69 H ASP 69 15.967 -3.922 4.091 558 HA ASP 69 HA ASP 69 17.018 -3.795 2.115 559 1HB ASP 69 2HB ASP 69 19.031 -3.607 3.531 560 2HB ASP 69 3HB ASP 69 19.226 -5.362 3.497 561 H LYS 70 H LYS 70 15.044 -5.803 2.347 562 HA LYS 70 HA LYS 70 15.845 -7.674 0.198 563 1HB LYS 70 2HB LYS 70 14.619 -8.311 2.924 564 2HB LYS 70 3HB LYS 70 14.164 -9.236 1.504 565 1HG LYS 70 2HG LYS 70 15.757 -10.570 2.324 566 2HG LYS 70 3HG LYS 70 16.727 -9.647 1.171 567 1HD LYS 70 2HD LYS 70 17.713 -8.335 2.916 568 2HD LYS 70 3HD LYS 70 16.503 -8.834 4.107 569 1HE LYS 70 2HE LYS 70 18.528 -10.727 2.834 570 2HE LYS 70 3HE LYS 70 18.761 -9.896 4.381 571 1HZ LYS 70 1HZ LYS 70 16.815 -10.970 5.216 572 2HZ LYS 70 2HZ LYS 70 16.577 -11.765 3.794 573 3HZ LYS 70 3HZ LYS 70 17.912 -12.087 4.703 574 H LEU 71 H LEU 71 13.868 -8.307 -1.045 575 HA LEU 71 HA LEU 71 11.738 -6.242 -0.809 576 1HB LEU 71 2HB LEU 71 12.652 -8.042 -3.059 577 2HB LEU 71 3HB LEU 71 10.982 -7.508 -2.971 578 HG LEU 71 HG LEU 71 12.175 -6.054 -4.412 579 1HD1 LEU 71 1HD1 LEU 71 10.437 -5.128 -2.821 580 2HD1 LEU 71 2HD1 LEU 71 11.761 -4.382 -1.923 581 3HD1 LEU 71 3HD1 LEU 71 11.518 -3.968 -3.622 582 1HD2 LEU 71 1HD2 LEU 71 14.144 -5.596 -2.167 583 2HD2 LEU 71 2HD2 LEU 71 14.425 -6.340 -3.735 584 3HD2 LEU 71 3HD2 LEU 71 14.044 -4.610 -3.644 585 H PHE 72 H PHE 72 10.132 -6.742 0.483 586 HA PHE 72 HA PHE 72 9.236 -9.584 0.722 587 1HB PHE 72 2HB PHE 72 8.762 -7.067 2.342 588 2HB PHE 72 3HB PHE 72 7.868 -8.541 2.575 589 HD1 PHE 72 1HD PHE 72 11.082 -6.950 2.936 590 HD2 PHE 72 2HD PHE 72 8.976 -10.648 3.398 591 HE1 PHE 72 1HE PHE 72 12.905 -7.788 4.458 592 HE2 PHE 72 2HE PHE 72 10.821 -11.539 4.803 593 HZ PHE 72 HZ PHE 72 12.793 -10.109 5.322 594 H ARG 73 H ARG 73 7.609 -10.138 -0.617 595 HA ARG 73 HA ARG 73 6.241 -8.167 -2.241 596 1HB ARG 73 2HB ARG 73 6.712 -10.925 -2.479 597 2HB ARG 73 3HB ARG 73 5.017 -10.871 -1.985 598 1HG ARG 73 2HG ARG 73 4.676 -9.130 -3.867 599 2HG ARG 73 3HG ARG 73 6.325 -9.530 -4.363 600 1HD ARG 73 2HD ARG 73 5.175 -10.986 -5.704 601 2HD ARG 73 3HD ARG 73 5.436 -12.032 -4.293 602 HE ARG 73 HE ARG 73 2.973 -10.538 -4.049 603 1HH1 ARG 73 1HH2 ARG 73 4.375 -13.344 -5.672 604 2HH1 ARG 73 2HH2 ARG 73 2.840 -14.015 -6.152 605 1HH2 ARG 73 1HH1 ARG 73 0.973 -11.321 -4.786 606 2HH2 ARG 73 2HH1 ARG 73 0.860 -12.855 -5.605 607 H ALA 74 H ALA 74 4.420 -7.009 -1.375 608 HA ALA 74 HA ALA 74 2.984 -8.375 0.847 609 1HB ALA 74 1HB ALA 74 4.615 -6.777 1.768 610 2HB ALA 74 2HB ALA 74 3.779 -5.473 0.902 611 3HB ALA 74 3HB ALA 74 2.947 -6.387 2.163 612 H ASP 75 H ASP 75 1.044 -8.851 -0.035 613 HA ASP 75 HA ASP 75 -0.104 -7.000 -2.048 614 1HB ASP 75 2HB ASP 75 -0.393 -9.994 -1.619 615 2HB ASP 75 3HB ASP 75 -1.467 -9.041 -2.649 616 H ILE 76 H ILE 76 -2.126 -6.104 -1.513 617 HA ILE 76 HA ILE 76 -3.459 -7.183 0.977 618 HB ILE 76 HB ILE 76 -3.253 -4.270 0.128 619 1HG1 ILE 76 2HG1 ILE 76 -2.335 -4.424 2.698 620 2HG1 ILE 76 3HG1 ILE 76 -1.849 -6.017 2.135 621 1HG2 ILE 76 1HG2 ILE 76 -5.469 -4.681 0.979 622 2HG2 ILE 76 2HG2 ILE 76 -4.850 -5.703 2.293 623 3HG2 ILE 76 3HG2 ILE 76 -4.562 -3.962 2.302 624 1HD1 ILE 76 1HD1 ILE 76 -0.630 -4.874 0.203 625 2HD1 ILE 76 2HD1 ILE 76 -1.082 -3.325 0.927 626 3HD1 ILE 76 3HD1 ILE 76 -0.022 -4.439 1.803 627 H SER 77 H SER 77 -5.354 -8.008 0.601 628 HA SER 77 HA SER 77 -6.722 -7.564 -1.987 629 1HB SER 77 2HB SER 77 -6.559 -9.783 -0.046 630 2HB SER 77 3HB SER 77 -8.227 -9.387 -0.447 631 HG SER 77 HG SER 77 -7.905 -9.863 -2.526 632 H GLU 78 H GLU 78 -8.897 -6.831 -1.991 633 HA GLU 78 HA GLU 78 -9.972 -5.765 0.557 634 1HB GLU 78 2HB GLU 78 -10.371 -4.857 -2.340 635 2HB GLU 78 3HB GLU 78 -11.253 -4.200 -0.958 636 1HG GLU 78 2HG GLU 78 -8.835 -3.753 0.023 637 2HG GLU 78 3HG GLU 78 -8.348 -3.893 -1.669 638 H ASP 79 H ASP 79 -12.390 -5.555 0.468 639 HA ASP 79 HA ASP 79 -13.635 -8.059 -0.585 640 1HB ASP 79 2HB ASP 79 -13.957 -7.539 1.804 641 2HB ASP 79 3HB ASP 79 -14.747 -6.016 1.378 642 H TYR 80 H TYR 80 -14.107 -7.675 -2.700 643 HA TYR 80 HA TYR 80 -14.678 -5.393 -4.094 644 1HB TYR 80 2HB TYR 80 -14.628 -7.973 -4.755 645 2HB TYR 80 3HB TYR 80 -16.359 -7.849 -4.616 646 HD1 TYR 80 1HD TYR 80 -13.647 -7.586 -6.865 647 HD2 TYR 80 2HD TYR 80 -17.510 -5.853 -6.003 648 HE1 TYR 80 1HE TYR 80 -13.933 -7.029 -9.219 649 HE2 TYR 80 2HE TYR 80 -17.641 -5.033 -8.328 650 HH TYR 80 HH TYR 80 -15.121 -5.787 -10.752 651 H LYS 81 H LYS 81 -16.938 -7.204 -2.021 652 HA LYS 81 HA LYS 81 -19.396 -6.171 -2.755 653 1HB LYS 81 2HB LYS 81 -18.858 -7.938 -0.991 654 2HB LYS 81 3HB LYS 81 -18.377 -6.615 0.081 655 1HG LYS 81 2HG LYS 81 -20.556 -7.321 0.702 656 2HG LYS 81 3HG LYS 81 -20.714 -5.713 -0.014 657 1HD LYS 81 2HD LYS 81 -21.486 -6.736 -2.146 658 2HD LYS 81 3HD LYS 81 -21.224 -8.359 -1.469 659 1HE LYS 81 2HE LYS 81 -22.932 -7.857 0.298 660 2HE LYS 81 3HE LYS 81 -23.199 -6.265 -0.442 661 1HZ LYS 81 1HZ LYS 81 -23.875 -7.396 -2.443 662 2HZ LYS 81 2HZ LYS 81 -23.647 -8.866 -1.731 663 3HZ LYS 81 3HZ LYS 81 -24.812 -7.846 -1.165 664 H THR 82 H THR 82 -16.748 -4.549 -1.101 665 HA THR 82 HA THR 82 -18.282 -2.049 -0.805 666 HB THR 82 HB THR 82 -17.294 -3.802 1.491 667 HG1 THR 82 1HG THR 82 -19.435 -3.362 2.183 668 1HG2 THR 82 1HG2 THR 82 -16.459 -1.694 2.151 669 2HG2 THR 82 2HG2 THR 82 -17.835 -0.838 1.403 670 3HG2 THR 82 3HG2 THR 82 -18.055 -1.805 2.893 671 H ARG 83 H ARG 83 -15.407 -3.096 0.889 672 HA ARG 83 HA ARG 83 -13.231 -2.418 -0.554 673 1HB ARG 83 2HB ARG 83 -14.707 0.040 0.028 674 2HB ARG 83 3HB ARG 83 -13.071 0.101 0.668 675 1HG ARG 83 2HG ARG 83 -12.119 -0.540 -1.475 676 2HG ARG 83 3HG ARG 83 -13.717 -0.587 -2.219 677 1HD ARG 83 2HD ARG 83 -12.541 1.914 -0.896 678 2HD ARG 83 3HD ARG 83 -12.322 1.496 -2.588 679 HE ARG 83 HE ARG 83 -14.512 1.894 -3.113 680 1HH1 ARG 83 1HH2 ARG 83 -14.122 2.275 0.381 681 2HH1 ARG 83 2HH2 ARG 83 -15.597 3.183 0.580 682 1HH2 ARG 83 1HH1 ARG 83 -16.427 3.041 -2.864 683 2HH2 ARG 83 2HH1 ARG 83 -16.943 3.607 -1.300 684 H GLY 84 H GLY 84 -13.746 -4.240 1.217 685 1HA GLY 84 2HA GLY 84 -12.881 -3.596 3.922 686 2HA GLY 84 3HA GLY 84 -13.047 -5.210 3.211 687 H ARG 85 H ARG 85 -10.856 -5.219 4.584 688 HA ARG 85 HA ARG 85 -8.663 -5.050 2.640 689 1HB ARG 85 2HB ARG 85 -7.743 -4.399 5.354 690 2HB ARG 85 3HB ARG 85 -7.271 -3.711 3.818 691 1HG ARG 85 2HG ARG 85 -8.203 -1.906 4.989 692 2HG ARG 85 3HG ARG 85 -9.566 -2.407 4.012 693 1HD ARG 85 2HD ARG 85 -10.602 -2.340 6.103 694 2HD ARG 85 3HD ARG 85 -10.003 -4.012 6.181 695 HE ARG 85 HE ARG 85 -8.011 -2.199 7.146 696 1HH1 ARG 85 1HH2 ARG 85 -11.021 -3.796 8.053 697 2HH1 ARG 85 2HH2 ARG 85 -10.830 -3.520 9.762 698 1HH2 ARG 85 1HH1 ARG 85 -7.775 -1.751 9.366 699 2HH2 ARG 85 2HH1 ARG 85 -8.946 -2.324 10.525 700 H LYS 86 H LYS 86 -7.627 -7.024 2.633 701 HA LYS 86 HA LYS 86 -7.793 -8.693 5.083 702 1HB LYS 86 2HB LYS 86 -8.204 -9.480 2.198 703 2HB LYS 86 3HB LYS 86 -7.577 -10.643 3.368 704 1HG LYS 86 2HG LYS 86 -10.233 -9.169 3.663 705 2HG LYS 86 3HG LYS 86 -9.990 -10.807 3.062 706 1HD LYS 86 2HD LYS 86 -10.518 -11.314 5.179 707 2HD LYS 86 3HD LYS 86 -8.775 -11.264 5.361 708 1HE LYS 86 2HE LYS 86 -8.885 -9.384 6.811 709 2HE LYS 86 3HE LYS 86 -10.237 -8.679 5.932 710 1HZ LYS 86 1HZ LYS 86 -11.665 -10.325 6.879 711 2HZ LYS 86 2HZ LYS 86 -10.417 -10.959 7.748 712 3HZ LYS 86 3HZ LYS 86 -10.923 -9.414 8.032 713 H LEU 87 H LEU 87 -6.091 -9.702 5.731 714 HA LEU 87 HA LEU 87 -3.555 -8.541 5.040 715 1HB LEU 87 2HB LEU 87 -4.575 -9.198 7.313 716 2HB LEU 87 3HB LEU 87 -4.138 -10.863 6.938 717 HG LEU 87 HG LEU 87 -2.411 -8.413 7.222 718 1HD1 LEU 87 1HD1 LEU 87 -3.196 -9.469 9.327 719 2HD1 LEU 87 2HD1 LEU 87 -2.412 -10.987 8.857 720 3HD1 LEU 87 3HD1 LEU 87 -1.433 -9.539 9.172 721 1HD2 LEU 87 1HD2 LEU 87 -1.470 -11.277 6.586 722 2HD2 LEU 87 2HD2 LEU 87 -1.343 -9.898 5.486 723 3HD2 LEU 87 3HD2 LEU 87 -0.398 -9.914 6.967 724 H LEU 88 H LEU 88 -2.982 -9.202 2.948 725 HA LEU 88 HA LEU 88 -2.123 -12.048 2.720 726 1HB LEU 88 2HB LEU 88 -3.641 -10.318 0.855 727 2HB LEU 88 3HB LEU 88 -2.206 -10.992 0.102 728 HG LEU 88 HG LEU 88 -4.357 -12.639 1.502 729 1HD1 LEU 88 1HD1 LEU 88 -5.086 -11.558 -0.633 730 2HD1 LEU 88 2HD1 LEU 88 -3.682 -12.263 -1.457 731 3HD1 LEU 88 3HD1 LEU 88 -4.952 -13.316 -0.800 732 1HD2 LEU 88 1HD2 LEU 88 -1.827 -13.401 -0.051 733 2HD2 LEU 88 2HD2 LEU 88 -2.242 -13.880 1.606 734 3HD2 LEU 88 3HD2 LEU 88 -3.159 -14.532 0.253 735 H ARG 89 H ARG 89 -1.007 -9.246 3.586 736 HA ARG 89 HA ARG 89 1.140 -8.764 1.845 737 1HB ARG 89 2HB ARG 89 1.853 -7.497 4.230 738 2HB ARG 89 3HB ARG 89 0.971 -6.809 2.870 739 1HG ARG 89 2HG ARG 89 -1.176 -7.374 3.901 740 2HG ARG 89 3HG ARG 89 -0.260 -7.949 5.325 741 1HD ARG 89 2HD ARG 89 0.794 -5.662 5.421 742 2HD ARG 89 3HD ARG 89 -0.209 -5.157 4.068 743 HE ARG 89 HE ARG 89 -1.952 -4.784 5.457 744 1HH1 ARG 89 1HH2 ARG 89 0.347 -6.889 7.131 745 2HH1 ARG 89 2HH2 ARG 89 -0.615 -7.047 8.572 746 1HH2 ARG 89 1HH1 ARG 89 -3.261 -5.049 7.350 747 2HH2 ARG 89 2HH1 ARG 89 -2.783 -6.142 8.599 748 H PHE 90 H PHE 90 3.410 -8.484 3.149 749 HA PHE 90 HA PHE 90 5.306 -9.564 3.691 750 1HB PHE 90 2HB PHE 90 3.316 -9.646 5.767 751 2HB PHE 90 3HB PHE 90 4.273 -11.096 5.928 752 HD1 PHE 90 1HD PHE 90 4.229 -7.470 6.180 753 HD2 PHE 90 2HD PHE 90 6.757 -10.963 6.225 754 HE1 PHE 90 1HE PHE 90 6.037 -6.143 7.228 755 HE2 PHE 90 2HE PHE 90 8.586 -9.618 7.234 756 HZ PHE 90 HZ PHE 90 8.203 -7.238 7.763 757 H ASN 91 H ASN 91 5.255 -10.789 1.643 758 HA ASN 91 HA ASN 91 5.270 -13.721 2.114 759 1HB ASN 91 2HB ASN 91 3.522 -12.088 0.321 760 2HB ASN 91 3HB ASN 91 4.321 -13.452 -0.448 761 1HD2 ASN 91 2HD2 ASN 91 2.259 -12.666 2.497 762 2HD2 ASN 91 1HD2 ASN 91 1.539 -14.258 2.485 763 H GLY 92 H GLY 92 6.435 -14.891 0.521 764 1HA GLY 92 2HA GLY 92 8.059 -14.984 -1.254 765 2HA GLY 92 3HA GLY 92 8.678 -13.411 -0.772 766 HA PRO 93 HA PRO 93 10.081 -12.440 0.744 767 1HB PRO 93 2HB PRO 93 12.766 -12.333 1.147 768 2HB PRO 93 3HB PRO 93 11.608 -12.522 2.493 769 1HG PRO 93 2HG PRO 93 13.134 -14.726 1.073 770 2HG PRO 93 3HG PRO 93 13.039 -14.430 2.835 771 1HD PRO 93 2HD PRO 93 11.405 -16.226 1.587 772 2HD PRO 93 3HD PRO 93 10.784 -15.210 2.917 773 H VAL 94 H VAL 94 11.304 -11.235 -0.958 774 HA VAL 94 HA VAL 94 11.937 -12.940 -3.312 775 HB VAL 94 HB VAL 94 10.654 -10.197 -3.120 776 1HG1 VAL 94 1HG1 VAL 94 12.154 -10.151 -5.026 777 2HG1 VAL 94 2HG1 VAL 94 11.581 -11.746 -5.570 778 3HG1 VAL 94 3HG1 VAL 94 10.496 -10.341 -5.600 779 1HG2 VAL 94 1HG2 VAL 94 9.666 -12.878 -4.192 780 2HG2 VAL 94 2HG2 VAL 94 9.115 -12.087 -2.701 781 3HG2 VAL 94 3HG2 VAL 94 8.779 -11.343 -4.267 782 HA PRO 95 HA PRO 95 15.915 -10.922 -2.527 783 1HB PRO 95 2HB PRO 95 17.418 -12.050 -4.517 784 2HB PRO 95 3HB PRO 95 16.921 -12.951 -3.053 785 1HG PRO 95 2HG PRO 95 15.590 -12.961 -5.774 786 2HG PRO 95 3HG PRO 95 16.038 -14.372 -4.772 787 1HD PRO 95 2HD PRO 95 13.521 -13.313 -4.813 788 2HD PRO 95 3HD PRO 95 14.203 -14.011 -3.311 789 HA PRO 96 HA PRO 96 15.348 -7.555 -5.332 790 1HB PRO 96 2HB PRO 96 17.839 -6.368 -5.450 791 2HB PRO 96 3HB PRO 96 16.752 -6.276 -4.039 792 1HG PRO 96 2HG PRO 96 19.042 -8.201 -4.475 793 2HG PRO 96 3HG PRO 96 18.692 -7.223 -3.019 794 1HD PRO 96 2HD PRO 96 17.953 -9.824 -3.182 795 2HD PRO 96 3HD PRO 96 16.859 -8.626 -2.425 796 HA PRO 97 HA PRO 97 16.826 -9.622 -9.115 797 1HB PRO 97 2HB PRO 97 15.077 -8.613 -10.918 798 2HB PRO 97 3HB PRO 97 14.562 -9.777 -9.662 799 1HG PRO 97 2HG PRO 97 14.317 -6.756 -9.581 800 2HG PRO 97 3HG PRO 97 13.041 -7.965 -9.253 801 1HD PRO 97 2HD PRO 97 14.525 -6.782 -7.275 802 2HD PRO 97 3HD PRO 97 13.947 -8.472 -7.138 Start of MODEL 17 1 1H MET 1 1H MET 1 -13.239 -8.681 -18.590 2 2H MET 1 2H MET 1 -11.713 -8.555 -19.202 3 3H MET 1 3H MET 1 -12.549 -9.967 -19.368 4 HA MET 1 HA MET 1 -12.587 -10.276 -16.998 5 1HB MET 1 2HB MET 1 -9.783 -9.941 -18.176 6 2HB MET 1 3HB MET 1 -10.206 -10.826 -16.704 7 1HG MET 1 2HG MET 1 -9.944 -12.429 -18.398 8 2HG MET 1 3HG MET 1 -11.687 -12.306 -18.125 9 1HE MET 1 1HE MET 1 -10.300 -13.816 -20.555 10 2HE MET 1 2HE MET 1 -12.064 -13.717 -20.321 11 3HE MET 1 3HE MET 1 -11.348 -13.299 -21.897 12 H GLY 2 H GLY 2 -9.988 -7.921 -17.754 13 1HA GLY 2 2HA GLY 2 -10.463 -5.664 -16.390 14 2HA GLY 2 3HA GLY 2 -10.054 -6.805 -15.081 15 H GLU 3 H GLU 3 -8.078 -5.211 -15.008 16 HA GLU 3 HA GLU 3 -5.823 -6.595 -16.073 17 1HB GLU 3 2HB GLU 3 -4.867 -4.691 -17.317 18 2HB GLU 3 3HB GLU 3 -6.310 -5.295 -18.109 19 1HG GLU 3 2HG GLU 3 -6.812 -3.061 -16.174 20 2HG GLU 3 3HG GLU 3 -5.763 -2.655 -17.527 21 H TRP 4 H TRP 4 -3.850 -4.916 -15.511 22 HA TRP 4 HA TRP 4 -4.175 -4.323 -12.663 23 1HB TRP 4 2HB TRP 4 -1.803 -4.012 -14.537 24 2HB TRP 4 3HB TRP 4 -1.803 -3.654 -12.832 25 HD1 TRP 4 HD TRP 4 -2.726 -6.846 -14.896 26 HE1 TRP 4 1HE TRP 4 -1.781 -8.867 -13.672 27 HE3 TRP 4 3HE TRP 4 -0.610 -4.437 -10.950 28 HZ2 TRP 4 2HZ TRP 4 -0.274 -9.394 -11.232 29 HZ3 TRP 4 3HZ TRP 4 0.522 -5.707 -9.150 30 HH2 TRP 4 HH TRP 4 0.733 -8.187 -9.295 31 H GLU 5 H GLU 5 -3.482 -2.207 -11.847 32 HA GLU 5 HA GLU 5 -4.050 0.127 -13.573 33 1HB GLU 5 2HB GLU 5 -5.384 -0.631 -10.949 34 2HB GLU 5 3HB GLU 5 -5.418 0.992 -11.611 35 1HG GLU 5 2HG GLU 5 -6.665 0.247 -13.573 36 2HG GLU 5 3HG GLU 5 -6.509 -1.447 -13.087 37 H ILE 6 H ILE 6 -3.456 2.092 -12.375 38 HA ILE 6 HA ILE 6 -0.856 1.773 -11.109 39 HB ILE 6 HB ILE 6 -0.745 4.217 -11.211 40 1HG1 ILE 6 2HG1 ILE 6 -2.851 5.046 -12.853 41 2HG1 ILE 6 3HG1 ILE 6 -3.680 4.051 -11.656 42 1HG2 ILE 6 1HG2 ILE 6 -0.080 2.839 -13.144 43 2HG2 ILE 6 2HG2 ILE 6 -1.705 3.024 -13.839 44 3HG2 ILE 6 3HG2 ILE 6 -0.662 4.442 -13.621 45 1HD1 ILE 6 1HD1 ILE 6 -2.649 5.396 -9.841 46 2HD1 ILE 6 2HD1 ILE 6 -1.794 6.373 -11.059 47 3HD1 ILE 6 3HD1 ILE 6 -3.565 6.409 -10.970 48 H ILE 7 H ILE 7 -0.305 2.644 -9.104 49 HA ILE 7 HA ILE 7 -2.348 2.405 -7.026 50 HB ILE 7 HB ILE 7 -0.204 1.341 -6.670 51 1HG1 ILE 7 2HG1 ILE 7 0.445 3.294 -4.679 52 2HG1 ILE 7 3HG1 ILE 7 -1.300 3.291 -4.844 53 1HG2 ILE 7 1HG2 ILE 7 1.267 2.678 -8.067 54 2HG2 ILE 7 2HG2 ILE 7 1.059 4.090 -7.017 55 3HG2 ILE 7 3HG2 ILE 7 1.879 2.660 -6.425 56 1HD1 ILE 7 1HD1 ILE 7 -1.255 0.760 -4.565 57 2HD1 ILE 7 2HD1 ILE 7 0.443 0.922 -4.117 58 3HD1 ILE 7 3HD1 ILE 7 -0.784 1.721 -3.152 59 H ASP 8 H ASP 8 -3.316 4.198 -6.013 60 HA ASP 8 HA ASP 8 -2.637 6.850 -7.139 61 1HB ASP 8 2HB ASP 8 -5.043 5.799 -6.805 62 2HB ASP 8 3HB ASP 8 -4.860 6.452 -5.166 63 H ILE 9 H ILE 9 -2.949 8.645 -5.359 64 HA ILE 9 HA ILE 9 -0.785 8.214 -3.370 65 HB ILE 9 HB ILE 9 -2.058 10.733 -4.515 66 1HG1 ILE 9 2HG1 ILE 9 -0.889 9.565 -6.307 67 2HG1 ILE 9 3HG1 ILE 9 0.009 10.993 -5.834 68 1HG2 ILE 9 1HG2 ILE 9 -1.097 11.438 -2.480 69 2HG2 ILE 9 2HG2 ILE 9 0.337 10.401 -2.684 70 3HG2 ILE 9 3HG2 ILE 9 0.097 11.832 -3.703 71 1HD1 ILE 9 1HD1 ILE 9 1.542 9.547 -4.456 72 2HD1 ILE 9 2HD1 ILE 9 0.669 8.116 -5.054 73 3HD1 ILE 9 3HD1 ILE 9 1.545 9.155 -6.183 74 H GLY 10 H GLY 10 -1.140 9.633 -1.335 75 1HA GLY 10 2HA GLY 10 -2.336 10.142 0.544 76 2HA GLY 10 3HA GLY 10 -3.747 10.321 -0.497 77 HA PRO 11 HA PRO 11 -4.772 6.810 2.210 78 1HB PRO 11 2HB PRO 11 -7.459 6.681 1.893 79 2HB PRO 11 3HB PRO 11 -6.673 8.081 2.671 80 1HG PRO 11 2HG PRO 11 -7.499 7.840 -0.240 81 2HG PRO 11 3HG PRO 11 -7.931 9.144 0.905 82 1HD PRO 11 2HD PRO 11 -5.820 9.359 -0.812 83 2HD PRO 11 3HD PRO 11 -5.731 10.033 0.845 84 H PHE 12 H PHE 12 -3.387 5.836 0.311 85 HA PHE 12 HA PHE 12 -4.745 3.488 -0.722 86 1HB PHE 12 2HB PHE 12 -5.110 5.510 -2.292 87 2HB PHE 12 3HB PHE 12 -3.435 5.391 -2.711 88 HD1 PHE 12 1HD PHE 12 -6.492 4.840 -3.986 89 HD2 PHE 12 2HD PHE 12 -2.974 2.494 -3.143 90 HE1 PHE 12 1HE PHE 12 -6.789 3.629 -6.117 91 HE2 PHE 12 2HE PHE 12 -3.310 1.263 -5.271 92 HZ PHE 12 HZ PHE 12 -5.115 1.935 -6.832 93 H THR 13 H THR 13 -1.705 5.125 -1.833 94 HA THR 13 HA THR 13 -0.089 2.872 -1.257 95 HB THR 13 HB THR 13 0.456 4.639 -2.891 96 HG1 THR 13 1HG THR 13 2.113 3.327 -2.096 97 1HG2 THR 13 1HG2 THR 13 -0.168 6.667 -1.519 98 2HG2 THR 13 2HG2 THR 13 1.342 6.420 -0.602 99 3HG2 THR 13 3HG2 THR 13 1.402 6.736 -2.333 100 H GLN 14 H GLN 14 -0.603 5.911 0.567 101 HA GLN 14 HA GLN 14 1.150 5.151 2.710 102 1HB GLN 14 2HB GLN 14 -0.617 7.409 1.997 103 2HB GLN 14 3HB GLN 14 -0.598 7.069 3.717 104 1HG GLN 14 2HG GLN 14 1.832 7.337 3.786 105 2HG GLN 14 3HG GLN 14 1.921 7.341 2.016 106 1HE2 GLN 14 2HE2 GLN 14 0.446 9.206 4.751 107 2HE2 GLN 14 1HE2 GLN 14 0.579 10.747 3.924 108 H ASN 15 H ASN 15 -2.368 4.963 2.223 109 HA ASN 15 HA ASN 15 -3.151 4.040 4.747 110 1HB ASN 15 2HB ASN 15 -4.657 4.573 2.830 111 2HB ASN 15 3HB ASN 15 -4.248 3.042 2.070 112 1HD2 ASN 15 2HD2 ASN 15 -5.201 1.093 2.900 113 2HD2 ASN 15 1HD2 ASN 15 -6.370 1.146 4.206 114 H LEU 16 H LEU 16 -2.151 2.100 1.926 115 HA LEU 16 HA LEU 16 -2.164 -0.489 3.271 116 1HB LEU 16 2HB LEU 16 -0.680 0.537 0.823 117 2HB LEU 16 3HB LEU 16 -0.823 -1.154 1.336 118 HG LEU 16 HG LEU 16 -3.365 0.456 0.877 119 1HD1 LEU 16 1HD1 LEU 16 -1.884 0.752 -1.154 120 2HD1 LEU 16 2HD1 LEU 16 -1.921 -1.003 -1.342 121 3HD1 LEU 16 3HD1 LEU 16 -3.428 -0.063 -1.422 122 1HD2 LEU 16 1HD2 LEU 16 -2.695 -2.448 0.458 123 2HD2 LEU 16 2HD2 LEU 16 -3.415 -1.804 1.948 124 3HD2 LEU 16 3HD2 LEU 16 -4.306 -1.689 0.429 125 H ALA 17 H ALA 17 0.506 1.874 2.618 126 HA ALA 17 HA ALA 17 2.541 0.295 3.743 127 1HB ALA 17 1HB ALA 17 2.916 2.376 2.468 128 2HB ALA 17 2HB ALA 17 2.232 3.327 3.803 129 3HB ALA 17 3HB ALA 17 3.743 2.425 4.041 130 H LYS 18 H LYS 18 0.386 2.682 5.361 131 HA LYS 18 HA LYS 18 1.466 2.239 7.952 132 1HB LYS 18 2HB LYS 18 -0.778 3.750 6.812 133 2HB LYS 18 3HB LYS 18 -1.286 2.930 8.276 134 1HG LYS 18 2HG LYS 18 1.127 4.774 8.053 135 2HG LYS 18 3HG LYS 18 -0.460 5.169 8.726 136 1HD LYS 18 2HD LYS 18 -0.035 3.095 10.323 137 2HD LYS 18 3HD LYS 18 1.654 3.278 9.850 138 1HE LYS 18 2HE LYS 18 1.416 4.520 11.852 139 2HE LYS 18 3HE LYS 18 1.500 5.726 10.557 140 1HZ LYS 18 1HZ LYS 18 -0.905 5.857 10.658 141 2HZ LYS 18 2HZ LYS 18 -0.946 4.730 11.857 142 3HZ LYS 18 3HZ LYS 18 -0.239 6.193 12.127 143 H PHE 19 H PHE 19 -1.377 0.818 6.290 144 HA PHE 19 HA PHE 19 -2.315 -0.835 8.295 145 1HB PHE 19 2HB PHE 19 -3.298 -0.534 5.998 146 2HB PHE 19 3HB PHE 19 -2.061 -1.605 5.365 147 HD1 PHE 19 1HD PHE 19 -3.028 -3.638 4.703 148 HD2 PHE 19 2HD PHE 19 -4.434 -1.754 8.321 149 HE1 PHE 19 1HE PHE 19 -4.575 -5.532 5.097 150 HE2 PHE 19 2HE PHE 19 -5.969 -3.650 8.704 151 HZ PHE 19 HZ PHE 19 -6.051 -5.549 7.101 152 H ALA 20 H ALA 20 0.338 -1.511 5.996 153 HA ALA 20 HA ALA 20 1.103 -4.047 6.869 154 1HB ALA 20 1HB ALA 20 2.217 -2.524 5.025 155 2HB ALA 20 2HB ALA 20 3.290 -2.016 6.309 156 3HB ALA 20 3HB ALA 20 3.191 -3.723 5.912 157 H VAL 21 H VAL 21 2.624 -1.021 8.063 158 HA VAL 21 HA VAL 21 4.125 -2.451 10.005 159 HB VAL 21 HB VAL 21 3.462 0.520 9.858 160 1HG1 VAL 21 1HG1 VAL 21 4.474 -0.126 12.042 161 2HG1 VAL 21 2HG1 VAL 21 5.775 -0.983 11.190 162 3HG1 VAL 21 3HG1 VAL 21 5.639 0.782 11.071 163 1HG2 VAL 21 1HG2 VAL 21 5.709 -1.079 8.576 164 2HG2 VAL 21 2HG2 VAL 21 4.457 -0.153 7.740 165 3HG2 VAL 21 3HG2 VAL 21 5.676 0.692 8.689 166 H ASP 22 H ASP 22 1.228 -0.381 10.283 167 HA ASP 22 HA ASP 22 1.019 -0.430 13.081 168 1HB ASP 22 2HB ASP 22 -0.206 1.218 11.801 169 2HB ASP 22 3HB ASP 22 -1.084 -0.028 10.897 170 H GLU 23 H GLU 23 -1.194 -2.231 10.793 171 HA GLU 23 HA GLU 23 -2.279 -3.881 12.672 172 1HB GLU 23 2HB GLU 23 -2.704 -3.459 10.110 173 2HB GLU 23 3HB GLU 23 -1.710 -4.892 9.859 174 1HG GLU 23 2HG GLU 23 -4.181 -4.714 11.647 175 2HG GLU 23 3HG GLU 23 -4.223 -5.145 9.931 176 H GLU 24 H GLU 24 0.692 -4.563 10.723 177 HA GLU 24 HA GLU 24 1.150 -7.148 11.738 178 1HB GLU 24 2HB GLU 24 2.359 -6.225 9.832 179 2HB GLU 24 3HB GLU 24 3.190 -5.061 10.902 180 1HG GLU 24 2HG GLU 24 4.305 -6.927 12.052 181 2HG GLU 24 3HG GLU 24 3.445 -8.080 11.009 182 H ASN 25 H ASN 25 2.138 -3.949 13.169 183 HA ASN 25 HA ASN 25 3.501 -5.141 15.410 184 1HB ASN 25 2HB ASN 25 2.443 -2.385 14.713 185 2HB ASN 25 3HB ASN 25 2.873 -2.774 16.362 186 1HD2 ASN 25 2HD2 ASN 25 4.200 -2.711 13.051 187 2HD2 ASN 25 1HD2 ASN 25 5.878 -2.506 13.570 188 H LYS 26 H LYS 26 0.160 -3.962 14.871 189 HA LYS 26 HA LYS 26 -0.726 -4.126 17.541 190 1HB LYS 26 2HB LYS 26 -1.850 -2.831 15.880 191 2HB LYS 26 3HB LYS 26 -2.164 -4.241 14.872 192 1HG LYS 26 2HG LYS 26 -3.293 -4.374 17.635 193 2HG LYS 26 3HG LYS 26 -3.966 -3.120 16.583 194 1HD LYS 26 2HD LYS 26 -4.466 -4.734 14.821 195 2HD LYS 26 3HD LYS 26 -3.762 -6.051 15.765 196 1HE LYS 26 2HE LYS 26 -6.164 -4.380 16.645 197 2HE LYS 26 3HE LYS 26 -6.269 -5.951 15.833 198 1HZ LYS 26 1HZ LYS 26 -5.071 -6.924 17.644 199 2HZ LYS 26 2HZ LYS 26 -4.976 -5.475 18.423 200 3HZ LYS 26 3HZ LYS 26 -6.443 -6.186 18.182 201 H ILE 27 H ILE 27 -0.847 -6.571 14.913 202 HA ILE 27 HA ILE 27 -1.966 -8.601 16.740 203 HB ILE 27 HB ILE 27 -0.805 -8.863 13.944 204 1HG1 ILE 27 2HG1 ILE 27 -2.804 -7.408 13.954 205 2HG1 ILE 27 3HG1 ILE 27 -3.044 -8.930 13.102 206 1HG2 ILE 27 1HG2 ILE 27 -0.756 -11.020 15.045 207 2HG2 ILE 27 2HG2 ILE 27 -2.394 -10.807 15.671 208 3HG2 ILE 27 3HG2 ILE 27 -2.131 -11.001 13.925 209 1HD1 ILE 27 1HD1 ILE 27 -4.358 -9.840 14.950 210 2HD1 ILE 27 2HD1 ILE 27 -4.052 -8.392 15.932 211 3HD1 ILE 27 3HD1 ILE 27 -5.008 -8.275 14.447 212 H GLY 28 H GLY 28 1.228 -7.773 15.336 213 1HA GLY 28 2HA GLY 28 3.327 -8.326 16.025 214 2HA GLY 28 3HA GLY 28 2.662 -9.149 17.440 215 H GLN 29 H GLN 29 1.406 -10.070 14.305 216 HA GLN 29 HA GLN 29 1.868 -12.731 14.734 217 1HB GLN 29 2HB GLN 29 0.309 -11.549 13.020 218 2HB GLN 29 3HB GLN 29 1.680 -11.572 11.926 219 1HG GLN 29 2HG GLN 29 0.260 -13.510 11.492 220 2HG GLN 29 3HG GLN 29 1.799 -14.074 12.162 221 1HE2 GLN 29 2HE2 GLN 29 -1.291 -12.812 13.573 222 2HE2 GLN 29 1HE2 GLN 29 -1.469 -14.136 14.711 223 H TYR 30 H TYR 30 3.834 -10.693 12.546 224 HA TYR 30 HA TYR 30 6.058 -12.687 12.743 225 1HB TYR 30 2HB TYR 30 6.422 -10.928 10.480 226 2HB TYR 30 3HB TYR 30 6.442 -12.673 10.572 227 HD1 TYR 30 1HD TYR 30 4.659 -9.811 9.322 228 HD2 TYR 30 2HD TYR 30 4.227 -13.942 10.455 229 HE1 TYR 30 1HE TYR 30 2.262 -9.763 8.617 230 HE2 TYR 30 2HE TYR 30 1.925 -13.958 9.536 231 HH TYR 30 HH TYR 30 0.239 -10.945 8.694 232 H GLY 31 H GLY 31 5.687 -9.247 11.803 233 1HA GLY 31 2HA GLY 31 6.183 -7.569 13.617 234 2HA GLY 31 3HA GLY 31 7.628 -8.511 14.011 235 H ARG 32 H ARG 32 7.308 -5.692 12.861 236 HA ARG 32 HA ARG 32 7.915 -6.060 10.056 237 1HB ARG 32 2HB ARG 32 6.281 -4.329 11.095 238 2HB ARG 32 3HB ARG 32 7.718 -3.372 11.461 239 1HG ARG 32 2HG ARG 32 7.522 -4.454 8.666 240 2HG ARG 32 3HG ARG 32 6.238 -3.347 9.136 241 1HD ARG 32 2HD ARG 32 7.828 -1.614 9.706 242 2HD ARG 32 3HD ARG 32 9.195 -2.681 9.385 243 HE ARG 32 HE ARG 32 8.146 -2.835 6.999 244 1HH1 ARG 32 1HH2 ARG 32 8.247 0.140 8.937 245 2HH1 ARG 32 2HH2 ARG 32 8.482 1.172 7.558 246 1HH2 ARG 32 1HH1 ARG 32 8.521 -1.466 5.217 247 2HH2 ARG 32 2HH1 ARG 32 8.640 0.253 5.434 248 H LEU 33 H LEU 33 9.864 -5.297 9.103 249 HA LEU 33 HA LEU 33 12.190 -5.604 10.810 250 1HB LEU 33 2HB LEU 33 11.850 -4.865 7.883 251 2HB LEU 33 3HB LEU 33 13.412 -5.074 8.662 252 HG LEU 33 HG LEU 33 12.904 -7.049 7.472 253 1HD1 LEU 33 1HD1 LEU 33 13.993 -7.151 9.793 254 2HD1 LEU 33 2HD1 LEU 33 12.464 -7.849 10.352 255 3HD1 LEU 33 3HD1 LEU 33 13.386 -8.667 9.077 256 1HD2 LEU 33 1HD2 LEU 33 10.467 -7.668 9.161 257 2HD2 LEU 33 2HD2 LEU 33 10.380 -6.919 7.558 258 3HD2 LEU 33 3HD2 LEU 33 11.109 -8.521 7.750 259 H THR 34 H THR 34 14.024 -3.726 10.048 260 HA THR 34 HA THR 34 13.268 -1.778 11.972 261 HB THR 34 HB THR 34 15.760 -1.884 10.271 262 HG1 THR 34 1HG THR 34 14.953 -3.457 12.481 263 1HG2 THR 34 1HG2 THR 34 15.647 0.044 11.796 264 2HG2 THR 34 2HG2 THR 34 15.235 -1.013 13.163 265 3HG2 THR 34 3HG2 THR 34 16.833 -1.124 12.394 266 H PHE 35 H PHE 35 11.448 -0.957 10.661 267 HA PHE 35 HA PHE 35 10.442 0.691 9.372 268 1HB PHE 35 2HB PHE 35 11.323 2.989 10.326 269 2HB PHE 35 3HB PHE 35 10.395 1.850 11.275 270 HD1 PHE 35 1HD PHE 35 11.295 0.699 13.186 271 HD2 PHE 35 2HD PHE 35 13.848 3.129 10.699 272 HE1 PHE 35 1HE PHE 35 13.041 0.660 14.941 273 HE2 PHE 35 2HE PHE 35 15.580 3.117 12.476 274 HZ PHE 35 HZ PHE 35 15.178 1.887 14.602 275 H ASN 36 H ASN 36 11.511 -0.262 7.469 276 HA ASN 36 HA ASN 36 13.831 1.171 6.459 277 1HB ASN 36 2HB ASN 36 13.096 -0.992 4.721 278 2HB ASN 36 3HB ASN 36 14.459 -0.783 5.785 279 1HD2 ASN 36 2HD2 ASN 36 10.976 -1.754 5.941 280 2HD2 ASN 36 1HD2 ASN 36 11.198 -2.877 7.262 281 H LYS 37 H LYS 37 11.494 -0.089 4.054 282 HA LYS 37 HA LYS 37 10.316 2.405 3.390 283 1HB LYS 37 2HB LYS 37 11.649 2.913 1.317 284 2HB LYS 37 3HB LYS 37 12.457 3.255 2.815 285 1HG LYS 37 2HG LYS 37 13.100 0.535 1.981 286 2HG LYS 37 3HG LYS 37 13.377 1.652 0.644 287 1HD LYS 37 2HD LYS 37 14.462 2.078 3.464 288 2HD LYS 37 3HD LYS 37 15.359 1.244 2.189 289 1HE LYS 37 2HE LYS 37 15.439 3.223 0.807 290 2HE LYS 37 3HE LYS 37 14.326 4.100 1.868 291 1HZ LYS 37 1HZ LYS 37 15.944 4.003 3.593 292 2HZ LYS 37 2HZ LYS 37 16.998 3.175 2.636 293 3HZ LYS 37 3HZ LYS 37 16.578 4.722 2.255 294 H VAL 38 H VAL 38 9.869 2.198 0.753 295 HA VAL 38 HA VAL 38 9.037 -0.544 0.103 296 HB VAL 38 HB VAL 38 7.220 0.655 1.335 297 1HG1 VAL 38 1HG1 VAL 38 7.741 2.982 0.627 298 2HG1 VAL 38 2HG1 VAL 38 7.162 2.601 -1.008 299 3HG1 VAL 38 3HG1 VAL 38 6.047 2.555 0.366 300 1HG2 VAL 38 1HG2 VAL 38 6.594 0.070 -1.587 301 2HG2 VAL 38 2HG2 VAL 38 6.447 -1.029 -0.208 302 3HG2 VAL 38 3HG2 VAL 38 5.378 0.361 -0.335 303 H ILE 39 H ILE 39 8.901 -0.864 -2.205 304 HA ILE 39 HA ILE 39 10.462 1.070 -3.761 305 HB ILE 39 HB ILE 39 10.100 -0.284 -5.666 306 1HG1 ILE 39 2HG1 ILE 39 8.749 -2.451 -5.412 307 2HG1 ILE 39 3HG1 ILE 39 7.867 -1.602 -4.117 308 1HG2 ILE 39 1HG2 ILE 39 11.703 -1.064 -3.982 309 2HG2 ILE 39 2HG2 ILE 39 10.472 -2.139 -3.283 310 3HG2 ILE 39 3HG2 ILE 39 11.039 -2.388 -4.945 311 1HD1 ILE 39 1HD1 ILE 39 6.947 -0.053 -5.735 312 2HD1 ILE 39 2HD1 ILE 39 8.126 -0.558 -6.972 313 3HD1 ILE 39 3HD1 ILE 39 6.839 -1.654 -6.448 314 H ARG 40 H ARG 40 9.438 2.080 -5.800 315 HA ARG 40 HA ARG 40 6.633 2.488 -5.713 316 1HB ARG 40 2HB ARG 40 6.735 4.976 -5.325 317 2HB ARG 40 3HB ARG 40 7.083 3.968 -3.929 318 1HG ARG 40 2HG ARG 40 9.648 4.351 -4.850 319 2HG ARG 40 3HG ARG 40 8.876 5.823 -5.433 320 1HD ARG 40 2HD ARG 40 8.927 4.721 -2.580 321 2HD ARG 40 3HD ARG 40 9.840 6.113 -3.144 322 HE ARG 40 HE ARG 40 7.046 5.985 -2.346 323 1HH1 ARG 40 1HH2 ARG 40 9.317 7.777 -4.360 324 2HH1 ARG 40 2HH2 ARG 40 8.397 9.258 -4.346 325 1HH2 ARG 40 1HH1 ARG 40 5.810 7.890 -2.330 326 2HH2 ARG 40 2HH1 ARG 40 6.351 9.316 -3.172 327 HA PRO 41 HA PRO 41 5.168 3.751 -6.977 328 1HB PRO 41 2HB PRO 41 3.794 3.307 -9.270 329 2HB PRO 41 3HB PRO 41 4.607 4.861 -8.922 330 1HG PRO 41 2HG PRO 41 5.667 2.558 -10.584 331 2HG PRO 41 3HG PRO 41 5.601 4.288 -11.034 332 1HD PRO 41 2HD PRO 41 7.860 3.128 -9.990 333 2HD PRO 41 3HD PRO 41 7.417 4.811 -9.592 334 H CYS 42 H CYS 42 3.819 2.155 -6.273 335 HA CYS 42 HA CYS 42 4.379 -0.700 -6.632 336 1HB CYS 42 2HB CYS 42 2.234 0.912 -5.239 337 2HB CYS 42 3HB CYS 42 2.264 -0.844 -5.176 338 HG CYS 42 HG CYS 42 3.064 0.141 -2.953 339 H MET 43 H MET 43 1.931 -1.934 -6.960 340 HA MET 43 HA MET 43 0.554 -0.638 -9.231 341 1HB MET 43 2HB MET 43 2.618 -2.311 -9.833 342 2HB MET 43 3HB MET 43 1.336 -3.506 -9.643 343 1HG MET 43 2HG MET 43 -0.020 -2.165 -11.324 344 2HG MET 43 3HG MET 43 1.351 -1.054 -11.455 345 1HE MET 43 1HE MET 43 0.088 -2.232 -14.016 346 2HE MET 43 2HE MET 43 1.558 -1.224 -14.023 347 3HE MET 43 3HE MET 43 1.531 -2.762 -14.916 348 H LYS 44 H LYS 44 -1.486 -1.513 -9.668 349 HA LYS 44 HA LYS 44 -2.668 -3.018 -7.363 350 1HB LYS 44 2HB LYS 44 -3.126 -0.449 -7.796 351 2HB LYS 44 3HB LYS 44 -4.249 -1.029 -9.011 352 1HG LYS 44 2HG LYS 44 -4.324 -2.169 -6.203 353 2HG LYS 44 3HG LYS 44 -4.893 -0.517 -6.449 354 1HD LYS 44 2HD LYS 44 -6.052 -2.940 -7.852 355 2HD LYS 44 3HD LYS 44 -6.651 -2.276 -6.340 356 1HE LYS 44 2HE LYS 44 -6.439 -0.514 -8.818 357 2HE LYS 44 3HE LYS 44 -7.847 -1.529 -8.513 358 1HZ LYS 44 1HZ LYS 44 -8.173 -0.426 -6.453 359 2HZ LYS 44 2HZ LYS 44 -6.834 0.511 -6.671 360 3HZ LYS 44 3HZ LYS 44 -8.128 0.671 -7.681 361 H LYS 45 H LYS 45 -4.313 -4.556 -7.849 362 HA LYS 45 HA LYS 45 -4.784 -5.207 -10.690 363 1HB LYS 45 2HB LYS 45 -3.958 -7.396 -10.544 364 2HB LYS 45 3HB LYS 45 -2.710 -6.414 -9.793 365 1HG LYS 45 2HG LYS 45 -2.790 -7.702 -7.950 366 2HG LYS 45 3HG LYS 45 -4.417 -7.129 -7.653 367 1HD LYS 45 2HD LYS 45 -4.678 -9.471 -7.736 368 2HD LYS 45 3HD LYS 45 -5.178 -8.957 -9.347 369 1HE LYS 45 2HE LYS 45 -2.835 -9.469 -10.166 370 2HE LYS 45 3HE LYS 45 -2.446 -10.065 -8.540 371 1HZ LYS 45 1HZ LYS 45 -4.174 -11.693 -8.796 372 2HZ LYS 45 2HZ LYS 45 -4.525 -11.142 -10.312 373 3HZ LYS 45 3HZ LYS 45 -3.059 -11.829 -10.000 374 H THR 46 H THR 46 -6.376 -7.136 -10.769 375 HA THR 46 HA THR 46 -8.191 -7.140 -8.427 376 HB THR 46 HB THR 46 -9.030 -5.769 -10.302 377 HG1 THR 46 1HG THR 46 -10.298 -7.196 -8.741 378 1HG2 THR 46 1HG2 THR 46 -8.179 -7.143 -12.226 379 2HG2 THR 46 2HG2 THR 46 -9.395 -8.379 -11.822 380 3HG2 THR 46 3HG2 THR 46 -9.909 -6.761 -12.313 381 H ILE 47 H ILE 47 -8.174 -9.044 -7.538 382 HA ILE 47 HA ILE 47 -6.984 -11.361 -8.705 383 HB ILE 47 HB ILE 47 -7.080 -11.186 -6.329 384 1HG1 ILE 47 2HG1 ILE 47 -8.989 -13.443 -7.106 385 2HG1 ILE 47 3HG1 ILE 47 -7.261 -13.480 -7.471 386 1HG2 ILE 47 1HG2 ILE 47 -9.148 -9.891 -6.078 387 2HG2 ILE 47 2HG2 ILE 47 -10.105 -11.284 -6.628 388 3HG2 ILE 47 3HG2 ILE 47 -9.221 -11.336 -5.084 389 1HD1 ILE 47 1HD1 ILE 47 -6.800 -13.211 -4.988 390 2HD1 ILE 47 2HD1 ILE 47 -8.544 -13.396 -4.696 391 3HD1 ILE 47 3HD1 ILE 47 -7.631 -14.716 -5.431 392 H TYR 48 H TYR 48 -7.792 -13.226 -9.586 393 HA TYR 48 HA TYR 48 -10.541 -13.131 -10.723 394 1HB TYR 48 2HB TYR 48 -8.312 -14.958 -11.602 395 2HB TYR 48 3HB TYR 48 -9.756 -14.489 -12.492 396 HD1 TYR 48 1HD TYR 48 -9.769 -11.689 -12.563 397 HD2 TYR 48 2HD TYR 48 -6.318 -14.230 -12.567 398 HE1 TYR 48 1HE TYR 48 -8.438 -9.873 -13.677 399 HE2 TYR 48 2HE TYR 48 -4.988 -12.456 -13.650 400 HH TYR 48 HH TYR 48 -5.018 -10.360 -14.598 401 H GLU 49 H GLU 49 -11.565 -15.294 -10.853 402 HA GLU 49 HA GLU 49 -11.532 -16.412 -8.156 403 1HB GLU 49 2HB GLU 49 -13.508 -15.519 -9.705 404 2HB GLU 49 3HB GLU 49 -13.505 -17.190 -10.293 405 1HG GLU 49 2HG GLU 49 -13.753 -16.323 -7.363 406 2HG GLU 49 3HG GLU 49 -15.124 -16.635 -8.424 407 H ASN 50 H ASN 50 -9.314 -17.145 -9.288 408 HA ASN 50 HA ASN 50 -7.900 -18.899 -9.721 409 1HB ASN 50 2HB ASN 50 -8.885 -19.896 -7.735 410 2HB ASN 50 3HB ASN 50 -10.214 -20.582 -8.682 411 1HD2 ASN 50 2HD2 ASN 50 -9.902 -22.770 -8.936 412 2HD2 ASN 50 1HD2 ASN 50 -8.346 -23.519 -9.259 413 H GLU 51 H GLU 51 -7.996 -18.335 -11.984 414 HA GLU 51 HA GLU 51 -8.389 -18.633 -14.197 415 1HB GLU 51 2HB GLU 51 -8.346 -21.447 -13.171 416 2HB GLU 51 3HB GLU 51 -9.160 -21.254 -14.708 417 1HG GLU 51 2HG GLU 51 -7.172 -20.042 -15.610 418 2HG GLU 51 3HG GLU 51 -6.335 -20.340 -14.074 419 H GLY 52 H GLY 52 -10.463 -20.052 -15.588 420 1HA GLY 52 2HA GLY 52 -12.704 -20.116 -15.954 421 2HA GLY 52 3HA GLY 52 -12.972 -19.732 -14.254 422 H PHE 53 H PHE 53 -11.438 -17.196 -14.401 423 HA PHE 53 HA PHE 53 -11.844 -14.991 -14.634 424 1HB PHE 53 2HB PHE 53 -13.171 -15.645 -17.269 425 2HB PHE 53 3HB PHE 53 -12.473 -14.116 -16.754 426 HD1 PHE 53 1HD PHE 53 -11.849 -17.266 -18.419 427 HD2 PHE 53 2HD PHE 53 -9.896 -14.069 -16.278 428 HE1 PHE 53 1HE PHE 53 -9.664 -17.965 -19.361 429 HE2 PHE 53 2HE PHE 53 -7.718 -14.757 -17.246 430 HZ PHE 53 HZ PHE 53 -7.597 -16.707 -18.784 431 H ARG 54 H ARG 54 -13.532 -16.306 -13.042 432 HA ARG 54 HA ARG 54 -16.336 -15.681 -13.657 433 1HB ARG 54 2HB ARG 54 -15.200 -17.513 -12.001 434 2HB ARG 54 3HB ARG 54 -15.439 -16.188 -10.858 435 1HG ARG 54 2HG ARG 54 -17.493 -16.960 -10.547 436 2HG ARG 54 3HG ARG 54 -17.925 -16.329 -12.139 437 1HD ARG 54 2HD ARG 54 -17.341 -18.460 -13.194 438 2HD ARG 54 3HD ARG 54 -16.829 -19.141 -11.648 439 HE ARG 54 HE ARG 54 -19.530 -18.821 -12.647 440 1HH1 ARG 54 1HH2 ARG 54 -17.607 -19.032 -9.681 441 2HH1 ARG 54 2HH2 ARG 54 -18.936 -19.564 -8.690 442 1HH2 ARG 54 1HH1 ARG 54 -21.271 -19.517 -11.363 443 2HH2 ARG 54 2HH1 ARG 54 -21.057 -19.847 -9.666 444 H GLU 55 H GLU 55 -17.384 -14.516 -11.493 445 HA GLU 55 HA GLU 55 -16.910 -11.780 -11.705 446 1HB GLU 55 2HB GLU 55 -18.931 -12.844 -10.695 447 2HB GLU 55 3HB GLU 55 -17.969 -13.269 -9.263 448 1HG GLU 55 2HG GLU 55 -17.559 -10.847 -8.837 449 2HG GLU 55 3HG GLU 55 -18.482 -10.435 -10.292 450 H ILE 56 H ILE 56 -15.534 -10.387 -10.804 451 HA ILE 56 HA ILE 56 -13.048 -11.050 -9.680 452 HB ILE 56 HB ILE 56 -14.785 -8.559 -9.760 453 1HG1 ILE 56 2HG1 ILE 56 -12.104 -9.058 -11.114 454 2HG1 ILE 56 3HG1 ILE 56 -13.602 -9.655 -11.832 455 1HG2 ILE 56 1HG2 ILE 56 -13.442 -8.261 -7.764 456 2HG2 ILE 56 2HG2 ILE 56 -11.986 -8.803 -8.627 457 3HG2 ILE 56 3HG2 ILE 56 -12.783 -7.257 -9.038 458 1HD1 ILE 56 1HD1 ILE 56 -14.541 -7.382 -11.887 459 2HD1 ILE 56 2HD1 ILE 56 -13.024 -6.731 -11.223 460 3HD1 ILE 56 3HD1 ILE 56 -13.034 -7.515 -12.811 461 H LYS 57 H LYS 57 -12.430 -11.600 -7.633 462 HA LYS 57 HA LYS 57 -14.442 -11.735 -5.531 463 1HB LYS 57 2HB LYS 57 -12.354 -13.335 -6.034 464 2HB LYS 57 3HB LYS 57 -11.522 -12.176 -4.991 465 1HG LYS 57 2HG LYS 57 -12.236 -13.772 -3.472 466 2HG LYS 57 3HG LYS 57 -13.517 -12.558 -3.335 467 1HD LYS 57 2HD LYS 57 -14.884 -13.936 -4.990 468 2HD LYS 57 3HD LYS 57 -13.574 -15.130 -4.995 469 1HE LYS 57 2HE LYS 57 -13.875 -15.395 -2.502 470 2HE LYS 57 3HE LYS 57 -15.272 -14.305 -2.597 471 1HZ LYS 57 1HZ LYS 57 -16.285 -15.867 -4.110 472 2HZ LYS 57 2HZ LYS 57 -14.985 -16.875 -3.992 473 3HZ LYS 57 3HZ LYS 57 -15.925 -16.586 -2.671 474 H GLY 58 H GLY 58 -11.788 -9.560 -6.460 475 1HA GLY 58 2HA GLY 58 -12.824 -7.336 -5.204 476 2HA GLY 58 3HA GLY 58 -11.732 -8.059 -4.008 477 H TYR 59 H TYR 59 -10.618 -6.087 -4.232 478 HA TYR 59 HA TYR 59 -8.813 -5.868 -6.595 479 1HB TYR 59 2HB TYR 59 -9.366 -4.036 -4.168 480 2HB TYR 59 3HB TYR 59 -8.014 -3.761 -5.191 481 HD1 TYR 59 1HD TYR 59 -8.889 -4.099 -7.931 482 HD2 TYR 59 2HD TYR 59 -11.242 -2.625 -4.635 483 HE1 TYR 59 1HE TYR 59 -10.330 -2.914 -9.515 484 HE2 TYR 59 2HE TYR 59 -12.748 -1.494 -6.246 485 HH TYR 59 HH TYR 59 -12.207 -1.619 -9.780 486 H GLU 60 H GLU 60 -6.532 -5.820 -6.260 487 HA GLU 60 HA GLU 60 -5.633 -6.623 -3.600 488 1HB GLU 60 2HB GLU 60 -5.429 -8.283 -6.012 489 2HB GLU 60 3HB GLU 60 -3.844 -7.811 -5.349 490 1HG GLU 60 2HG GLU 60 -4.530 -8.726 -3.139 491 2HG GLU 60 3HG GLU 60 -6.104 -9.183 -3.833 492 H TYR 61 H TYR 61 -3.771 -5.551 -3.099 493 HA TYR 61 HA TYR 61 -2.646 -3.617 -5.122 494 1HB TYR 61 2HB TYR 61 -2.497 -3.481 -2.094 495 2HB TYR 61 3HB TYR 61 -1.945 -2.276 -3.263 496 HD1 TYR 61 1HD TYR 61 -4.692 -3.497 -1.244 497 HD2 TYR 61 2HD TYR 61 -3.609 -0.858 -4.439 498 HE1 TYR 61 1HE TYR 61 -6.844 -2.329 -0.996 499 HE2 TYR 61 2HE TYR 61 -5.834 0.269 -4.255 500 HH TYR 61 HH TYR 61 -7.784 0.432 -3.067 501 H GLN 62 H GLN 62 -0.708 -4.324 -5.880 502 HA GLN 62 HA GLN 62 0.883 -6.248 -4.236 503 1HB GLN 62 2HB GLN 62 0.361 -6.905 -6.589 504 2HB GLN 62 3HB GLN 62 1.112 -5.401 -7.136 505 1HG GLN 62 2HG GLN 62 2.989 -6.767 -5.382 506 2HG GLN 62 3HG GLN 62 2.340 -7.949 -6.513 507 1HE2 GLN 62 2HE2 GLN 62 3.192 -4.426 -6.869 508 2HE2 GLN 62 1HE2 GLN 62 4.292 -4.711 -8.213 509 H LEU 63 H LEU 63 1.871 -4.985 -2.797 510 HA LEU 63 HA LEU 63 3.322 -2.569 -3.759 511 1HB LEU 63 2HB LEU 63 2.879 -1.514 -1.590 512 2HB LEU 63 3HB LEU 63 1.415 -1.810 -2.533 513 HG LEU 63 HG LEU 63 1.628 -4.169 -1.001 514 1HD1 LEU 63 1HD1 LEU 63 3.509 -3.013 0.289 515 2HD1 LEU 63 2HD1 LEU 63 2.299 -1.825 0.826 516 3HD1 LEU 63 3HD1 LEU 63 2.112 -3.554 1.215 517 1HD2 LEU 63 1HD2 LEU 63 0.143 -1.602 -0.528 518 2HD2 LEU 63 2HD2 LEU 63 -0.378 -2.998 -1.490 519 3HD2 LEU 63 3HD2 LEU 63 -0.239 -3.164 0.271 520 H TYR 64 H TYR 64 5.384 -2.528 -3.220 521 HA TYR 64 HA TYR 64 6.295 -5.129 -2.130 522 1HB TYR 64 2HB TYR 64 6.662 -3.507 -4.525 523 2HB TYR 64 3HB TYR 64 8.211 -3.875 -3.787 524 HD1 TYR 64 1HD TYR 64 7.836 -6.648 -2.787 525 HD2 TYR 64 2HD TYR 64 6.538 -4.840 -6.475 526 HE1 TYR 64 1HE TYR 64 8.049 -8.830 -3.936 527 HE2 TYR 64 2HE TYR 64 6.644 -7.044 -7.588 528 HH TYR 64 HH TYR 64 7.111 -9.294 -7.346 529 H VAL 65 H VAL 65 6.727 -4.756 -0.025 530 HA VAL 65 HA VAL 65 7.954 -2.241 0.824 531 HB VAL 65 HB VAL 65 5.982 -3.130 1.932 532 1HG1 VAL 65 1HG1 VAL 65 6.536 -5.561 1.943 533 2HG1 VAL 65 2HG1 VAL 65 7.793 -5.239 3.162 534 3HG1 VAL 65 3HG1 VAL 65 6.089 -4.921 3.531 535 1HG2 VAL 65 1HG2 VAL 65 8.432 -2.796 3.686 536 2HG2 VAL 65 2HG2 VAL 65 7.429 -1.492 3.005 537 3HG2 VAL 65 3HG2 VAL 65 6.736 -2.603 4.195 538 H TYR 66 H TYR 66 10.070 -1.945 1.323 539 HA TYR 66 HA TYR 66 11.902 -4.226 0.981 540 1HB TYR 66 2HB TYR 66 12.091 -1.222 0.962 541 2HB TYR 66 3HB TYR 66 13.481 -2.104 1.553 542 HD1 TYR 66 1HD TYR 66 13.655 -4.390 -0.217 543 HD2 TYR 66 2HD TYR 66 12.851 -0.259 -1.063 544 HE1 TYR 66 1HE TYR 66 14.866 -4.604 -2.384 545 HE2 TYR 66 2HE TYR 66 14.053 -0.457 -3.210 546 HH TYR 66 HH TYR 66 15.139 -1.875 -4.676 547 H ALA 67 H ALA 67 12.742 -5.227 2.735 548 HA ALA 67 HA ALA 67 12.643 -3.931 5.367 549 1HB ALA 67 1HB ALA 67 10.613 -4.740 5.890 550 2HB ALA 67 2HB ALA 67 10.496 -5.626 4.371 551 3HB ALA 67 3HB ALA 67 11.311 -6.376 5.746 552 H SER 68 H SER 68 14.306 -4.699 6.663 553 HA SER 68 HA SER 68 16.352 -5.593 6.957 554 1HB SER 68 2HB SER 68 14.779 -8.060 6.331 555 2HB SER 68 3HB SER 68 16.537 -8.190 6.390 556 HG SER 68 HG SER 68 15.748 -8.489 8.430 557 H ASP 69 H ASP 69 15.676 -4.397 4.323 558 HA ASP 69 HA ASP 69 16.531 -4.057 2.275 559 1HB ASP 69 2HB ASP 69 18.630 -3.722 3.573 560 2HB ASP 69 3HB ASP 69 19.029 -5.427 3.325 561 H LYS 70 H LYS 70 15.113 -6.626 2.965 562 HA LYS 70 HA LYS 70 15.838 -8.170 0.529 563 1HB LYS 70 2HB LYS 70 13.772 -9.166 2.442 564 2HB LYS 70 3HB LYS 70 14.856 -10.072 1.411 565 1HG LYS 70 2HG LYS 70 15.409 -8.770 4.091 566 2HG LYS 70 3HG LYS 70 15.320 -10.494 3.753 567 1HD LYS 70 2HD LYS 70 17.507 -8.579 2.805 568 2HD LYS 70 3HD LYS 70 17.575 -9.672 4.169 569 1HE LYS 70 2HE LYS 70 18.733 -10.848 2.505 570 2HE LYS 70 3HE LYS 70 17.126 -11.589 2.435 571 1HZ LYS 70 1HZ LYS 70 16.664 -10.169 0.553 572 2HZ LYS 70 2HZ LYS 70 18.140 -9.452 0.679 573 3HZ LYS 70 3HZ LYS 70 18.028 -11.046 0.277 574 H LEU 71 H LEU 71 13.978 -8.560 -0.858 575 HA LEU 71 HA LEU 71 12.019 -6.339 -0.659 576 1HB LEU 71 2HB LEU 71 13.696 -6.893 -2.624 577 2HB LEU 71 3HB LEU 71 12.437 -8.005 -3.128 578 HG LEU 71 HG LEU 71 11.925 -5.038 -2.470 579 1HD1 LEU 71 1HD1 LEU 71 13.582 -5.291 -4.362 580 2HD1 LEU 71 2HD1 LEU 71 12.431 -6.365 -5.181 581 3HD1 LEU 71 3HD1 LEU 71 12.023 -4.656 -4.906 582 1HD2 LEU 71 1HD2 LEU 71 10.317 -7.108 -3.907 583 2HD2 LEU 71 2HD2 LEU 71 10.001 -6.357 -2.312 584 3HD2 LEU 71 3HD2 LEU 71 9.958 -5.362 -3.785 585 H PHE 72 H PHE 72 10.847 -7.305 1.034 586 HA PHE 72 HA PHE 72 9.667 -9.957 0.796 587 1HB PHE 72 2HB PHE 72 9.158 -7.543 2.565 588 2HB PHE 72 3HB PHE 72 8.154 -8.957 2.624 589 HD1 PHE 72 1HD PHE 72 11.339 -7.623 3.499 590 HD2 PHE 72 2HD PHE 72 8.957 -11.164 3.451 591 HE1 PHE 72 1HE PHE 72 13.019 -8.750 5.048 592 HE2 PHE 72 2HE PHE 72 10.503 -12.254 5.057 593 HZ PHE 72 HZ PHE 72 12.539 -11.059 5.838 594 H ARG 73 H ARG 73 7.877 -10.468 -0.447 595 HA ARG 73 HA ARG 73 6.607 -8.365 -1.982 596 1HB ARG 73 2HB ARG 73 6.909 -10.702 -2.859 597 2HB ARG 73 3HB ARG 73 5.738 -11.255 -1.650 598 1HG ARG 73 2HG ARG 73 4.021 -9.773 -2.627 599 2HG ARG 73 3HG ARG 73 5.193 -9.117 -3.779 600 1HD ARG 73 2HD ARG 73 5.395 -11.255 -4.906 601 2HD ARG 73 3HD ARG 73 4.492 -12.077 -3.605 602 HE ARG 73 HE ARG 73 2.853 -10.029 -4.652 603 1HH1 ARG 73 1HH2 ARG 73 4.143 -13.173 -5.602 604 2HH1 ARG 73 2HH2 ARG 73 2.686 -13.681 -6.412 605 1HH2 ARG 73 1HH1 ARG 73 0.952 -10.678 -5.628 606 2HH2 ARG 73 2HH1 ARG 73 0.843 -12.192 -6.497 607 H ALA 74 H ALA 74 4.472 -7.509 -1.578 608 HA ALA 74 HA ALA 74 3.042 -8.749 0.631 609 1HB ALA 74 1HB ALA 74 4.200 -7.107 1.899 610 2HB ALA 74 2HB ALA 74 3.855 -5.830 0.722 611 3HB ALA 74 3HB ALA 74 2.535 -6.537 1.665 612 H ASP 75 H ASP 75 1.018 -9.085 0.045 613 HA ASP 75 HA ASP 75 -0.177 -7.434 -2.122 614 1HB ASP 75 2HB ASP 75 -0.707 -10.335 -1.412 615 2HB ASP 75 3HB ASP 75 -1.516 -9.395 -2.675 616 H ILE 76 H ILE 76 -1.977 -6.297 -1.357 617 HA ILE 76 HA ILE 76 -3.347 -7.407 1.107 618 HB ILE 76 HB ILE 76 -3.035 -4.562 0.147 619 1HG1 ILE 76 2HG1 ILE 76 -1.232 -5.250 1.609 620 2HG1 ILE 76 3HG1 ILE 76 -2.309 -4.171 2.495 621 1HG2 ILE 76 1HG2 ILE 76 -5.376 -4.715 0.661 622 2HG2 ILE 76 2HG2 ILE 76 -5.087 -5.678 2.109 623 3HG2 ILE 76 3HG2 ILE 76 -4.613 -3.971 2.064 624 1HD1 ILE 76 1HD1 ILE 76 -1.997 -5.871 4.072 625 2HD1 ILE 76 2HD1 ILE 76 -3.438 -6.470 3.293 626 3HD1 ILE 76 3HD1 ILE 76 -1.858 -7.132 2.842 627 H SER 77 H SER 77 -5.216 -8.283 0.678 628 HA SER 77 HA SER 77 -6.460 -7.838 -1.978 629 1HB SER 77 2HB SER 77 -6.088 -10.189 -1.211 630 2HB SER 77 3HB SER 77 -7.198 -9.860 0.130 631 HG SER 77 HG SER 77 -8.834 -9.432 -1.466 632 H GLU 78 H GLU 78 -8.671 -7.251 -2.053 633 HA GLU 78 HA GLU 78 -9.879 -6.215 0.432 634 1HB GLU 78 2HB GLU 78 -10.166 -5.178 -2.436 635 2HB GLU 78 3HB GLU 78 -11.087 -4.603 -1.052 636 1HG GLU 78 2HG GLU 78 -8.706 -4.124 0.001 637 2HG GLU 78 3HG GLU 78 -8.173 -4.185 -1.685 638 H ASP 79 H ASP 79 -12.277 -6.104 0.092 639 HA ASP 79 HA ASP 79 -13.312 -8.612 -1.155 640 1HB ASP 79 2HB ASP 79 -13.644 -8.312 1.278 641 2HB ASP 79 3HB ASP 79 -14.485 -6.785 0.989 642 H TYR 80 H TYR 80 -14.088 -8.206 -3.175 643 HA TYR 80 HA TYR 80 -14.834 -5.921 -4.486 644 1HB TYR 80 2HB TYR 80 -14.867 -8.169 -5.517 645 2HB TYR 80 3HB TYR 80 -16.255 -8.619 -4.539 646 HD1 TYR 80 1HD TYR 80 -15.035 -6.551 -7.365 647 HD2 TYR 80 2HD TYR 80 -18.508 -7.780 -5.122 648 HE1 TYR 80 1HE TYR 80 -16.508 -5.553 -9.090 649 HE2 TYR 80 2HE TYR 80 -19.969 -6.704 -6.795 650 HH TYR 80 HH TYR 80 -20.063 -5.482 -8.748 651 H LYS 81 H LYS 81 -16.775 -7.671 -2.073 652 HA LYS 81 HA LYS 81 -19.284 -6.631 -2.427 653 1HB LYS 81 2HB LYS 81 -18.382 -8.285 -0.650 654 2HB LYS 81 3HB LYS 81 -17.958 -6.851 0.297 655 1HG LYS 81 2HG LYS 81 -20.022 -7.748 1.081 656 2HG LYS 81 3HG LYS 81 -20.397 -6.207 0.295 657 1HD LYS 81 2HD LYS 81 -21.402 -7.286 -1.580 658 2HD LYS 81 3HD LYS 81 -20.538 -8.802 -1.289 659 1HE LYS 81 2HE LYS 81 -22.890 -9.076 -0.734 660 2HE LYS 81 3HE LYS 81 -21.885 -9.261 0.709 661 1HZ LYS 81 1HZ LYS 81 -22.444 -7.007 1.302 662 2HZ LYS 81 2HZ LYS 81 -23.382 -6.846 -0.045 663 3HZ LYS 81 3HZ LYS 81 -23.803 -7.924 1.128 664 H THR 82 H THR 82 -16.417 -4.883 -1.147 665 HA THR 82 HA THR 82 -18.063 -2.424 -0.925 666 HB THR 82 HB THR 82 -16.799 -3.864 1.454 667 HG1 THR 82 1HG THR 82 -18.978 -3.523 2.230 668 1HG2 THR 82 1HG2 THR 82 -16.211 -1.559 1.667 669 2HG2 THR 82 2HG2 THR 82 -17.833 -1.049 1.119 670 3HG2 THR 82 3HG2 THR 82 -17.615 -1.856 2.707 671 H ARG 83 H ARG 83 -14.987 -3.709 0.164 672 HA ARG 83 HA ARG 83 -12.829 -2.760 -0.761 673 1HB ARG 83 2HB ARG 83 -14.244 -0.218 -0.084 674 2HB ARG 83 3HB ARG 83 -12.500 -0.320 0.049 675 1HG ARG 83 2HG ARG 83 -12.154 -0.850 -2.232 676 2HG ARG 83 3HG ARG 83 -13.875 -1.011 -2.554 677 1HD ARG 83 2HD ARG 83 -13.186 1.141 -3.347 678 2HD ARG 83 3HD ARG 83 -14.175 1.399 -1.894 679 HE ARG 83 HE ARG 83 -11.408 1.214 -1.175 680 1HH1 ARG 83 1HH2 ARG 83 -13.669 3.403 -2.765 681 2HH1 ARG 83 2HH2 ARG 83 -12.736 4.842 -2.452 682 1HH2 ARG 83 1HH1 ARG 83 -10.158 3.082 -0.758 683 2HH2 ARG 83 2HH1 ARG 83 -10.697 4.650 -1.286 684 H GLY 84 H GLY 84 -13.573 -4.465 1.206 685 1HA GLY 84 2HA GLY 84 -12.692 -3.459 3.819 686 2HA GLY 84 3HA GLY 84 -12.989 -5.146 3.353 687 H ARG 85 H ARG 85 -10.601 -4.890 4.654 688 HA ARG 85 HA ARG 85 -8.651 -5.246 2.450 689 1HB ARG 85 2HB ARG 85 -6.981 -4.565 4.433 690 2HB ARG 85 3HB ARG 85 -7.554 -3.457 3.199 691 1HG ARG 85 2HG ARG 85 -7.574 -2.385 5.302 692 2HG ARG 85 3HG ARG 85 -9.232 -2.513 4.734 693 1HD ARG 85 2HD ARG 85 -8.258 -4.740 6.489 694 2HD ARG 85 3HD ARG 85 -8.321 -3.148 7.258 695 HE ARG 85 HE ARG 85 -10.764 -3.273 6.097 696 1HH1 ARG 85 1HH2 ARG 85 -9.000 -5.377 8.317 697 2HH1 ARG 85 2HH2 ARG 85 -10.420 -5.922 9.165 698 1HH2 ARG 85 1HH1 ARG 85 -12.643 -4.012 7.165 699 2HH2 ARG 85 2HH1 ARG 85 -12.526 -5.146 8.481 700 H LYS 86 H LYS 86 -7.372 -7.048 2.656 701 HA LYS 86 HA LYS 86 -7.541 -8.578 5.171 702 1HB LYS 86 2HB LYS 86 -8.077 -9.550 2.369 703 2HB LYS 86 3HB LYS 86 -7.352 -10.654 3.536 704 1HG LYS 86 2HG LYS 86 -9.978 -9.187 4.054 705 2HG LYS 86 3HG LYS 86 -9.837 -10.773 3.298 706 1HD LYS 86 2HD LYS 86 -10.296 -11.328 5.455 707 2HD LYS 86 3HD LYS 86 -8.555 -11.566 5.386 708 1HE LYS 86 2HE LYS 86 -8.147 -9.726 6.851 709 2HE LYS 86 3HE LYS 86 -9.658 -8.916 6.405 710 1HZ LYS 86 1HZ LYS 86 -10.832 -10.628 7.578 711 2HZ LYS 86 2HZ LYS 86 -9.418 -11.356 8.010 712 3HZ LYS 86 3HZ LYS 86 -9.771 -9.844 8.563 713 H LEU 87 H LEU 87 -5.769 -9.398 5.887 714 HA LEU 87 HA LEU 87 -3.256 -8.386 4.946 715 1HB LEU 87 2HB LEU 87 -4.116 -8.775 7.315 716 2HB LEU 87 3HB LEU 87 -3.814 -10.494 7.083 717 HG LEU 87 HG LEU 87 -1.797 -8.212 7.006 718 1HD1 LEU 87 1HD1 LEU 87 -2.764 -8.843 9.232 719 2HD1 LEU 87 2HD1 LEU 87 -2.149 -10.487 9.010 720 3HD1 LEU 87 3HD1 LEU 87 -1.015 -9.121 9.130 721 1HD2 LEU 87 1HD2 LEU 87 -1.308 -11.234 6.794 722 2HD2 LEU 87 2HD2 LEU 87 -0.998 -10.047 5.518 723 3HD2 LEU 87 3HD2 LEU 87 -0.046 -9.995 6.987 724 H LEU 88 H LEU 88 -2.745 -9.271 2.926 725 HA LEU 88 HA LEU 88 -1.979 -12.160 2.964 726 1HB LEU 88 2HB LEU 88 -3.608 -10.731 1.092 727 2HB LEU 88 3HB LEU 88 -2.051 -10.923 0.310 728 HG LEU 88 HG LEU 88 -3.563 -12.674 -0.297 729 1HD1 LEU 88 1HD1 LEU 88 -1.145 -13.149 -0.228 730 2HD1 LEU 88 2HD1 LEU 88 -1.303 -13.775 1.425 731 3HD1 LEU 88 3HD1 LEU 88 -2.119 -14.597 0.082 732 1HD2 LEU 88 1HD2 LEU 88 -3.598 -13.624 2.600 733 2HD2 LEU 88 2HD2 LEU 88 -4.909 -12.731 1.803 734 3HD2 LEU 88 3HD2 LEU 88 -4.432 -14.332 1.209 735 H ARG 89 H ARG 89 -0.831 -9.239 3.628 736 HA ARG 89 HA ARG 89 1.409 -8.976 1.969 737 1HB ARG 89 2HB ARG 89 2.245 -7.424 3.790 738 2HB ARG 89 3HB ARG 89 0.739 -6.994 2.982 739 1HG ARG 89 2HG ARG 89 -0.560 -7.738 4.907 740 2HG ARG 89 3HG ARG 89 0.927 -8.313 5.693 741 1HD ARG 89 2HD ARG 89 0.164 -6.146 6.556 742 2HD ARG 89 3HD ARG 89 1.776 -6.049 5.869 743 HE ARG 89 HE ARG 89 -0.668 -4.667 4.978 744 1HH1 ARG 89 1HH2 ARG 89 2.640 -5.504 4.083 745 2HH1 ARG 89 2HH2 ARG 89 2.773 -4.219 2.922 746 1HH2 ARG 89 1HH1 ARG 89 -0.519 -3.035 3.527 747 2HH2 ARG 89 2HH1 ARG 89 0.913 -2.790 2.588 748 H PHE 90 H PHE 90 3.583 -8.905 2.670 749 HA PHE 90 HA PHE 90 5.537 -9.786 3.382 750 1HB PHE 90 2HB PHE 90 3.811 -9.882 5.714 751 2HB PHE 90 3HB PHE 90 4.938 -11.222 5.735 752 HD1 PHE 90 1HD PHE 90 4.569 -7.585 5.852 753 HD2 PHE 90 2HD PHE 90 7.355 -10.856 6.028 754 HE1 PHE 90 1HE PHE 90 6.167 -6.134 7.057 755 HE2 PHE 90 2HE PHE 90 8.925 -9.436 7.304 756 HZ PHE 90 HZ PHE 90 8.256 -7.114 7.945 757 H ASN 91 H ASN 91 5.521 -11.054 1.529 758 HA ASN 91 HA ASN 91 5.336 -13.981 1.958 759 1HB ASN 91 2HB ASN 91 3.764 -12.262 0.080 760 2HB ASN 91 3HB ASN 91 4.582 -13.622 -0.678 761 1HD2 ASN 91 2HD2 ASN 91 1.728 -12.754 1.211 762 2HD2 ASN 91 1HD2 ASN 91 1.280 -14.415 1.497 763 H GLY 92 H GLY 92 6.615 -15.138 0.330 764 1HA GLY 92 2HA GLY 92 8.440 -15.311 -1.143 765 2HA GLY 92 3HA GLY 92 8.824 -13.609 -0.923 766 HA PRO 93 HA PRO 93 10.104 -12.206 0.477 767 1HB PRO 93 2HB PRO 93 12.803 -11.827 0.769 768 2HB PRO 93 3HB PRO 93 11.685 -11.857 2.156 769 1HG PRO 93 2HG PRO 93 13.345 -14.161 1.089 770 2HG PRO 93 3HG PRO 93 13.252 -13.577 2.778 771 1HD PRO 93 2HD PRO 93 11.750 -15.671 1.923 772 2HD PRO 93 3HD PRO 93 11.047 -14.466 3.037 773 H VAL 94 H VAL 94 11.318 -11.101 -1.382 774 HA VAL 94 HA VAL 94 12.183 -13.103 -3.395 775 HB VAL 94 HB VAL 94 10.943 -12.253 -5.010 776 1HG1 VAL 94 1HG1 VAL 94 9.321 -12.809 -3.204 777 2HG1 VAL 94 2HG1 VAL 94 9.297 -11.091 -2.731 778 3HG1 VAL 94 3HG1 VAL 94 8.721 -11.580 -4.331 779 1HG2 VAL 94 1HG2 VAL 94 10.898 -9.461 -3.829 780 2HG2 VAL 94 2HG2 VAL 94 11.918 -10.013 -5.167 781 3HG2 VAL 94 3HG2 VAL 94 10.172 -9.966 -5.352 782 HA PRO 95 HA PRO 95 15.919 -10.676 -3.354 783 1HB PRO 95 2HB PRO 95 17.139 -11.488 -5.660 784 2HB PRO 95 3HB PRO 95 16.910 -12.590 -4.269 785 1HG PRO 95 2HG PRO 95 15.162 -12.329 -6.734 786 2HG PRO 95 3HG PRO 95 15.841 -13.828 -6.032 787 1HD PRO 95 2HD PRO 95 13.296 -12.975 -5.496 788 2HD PRO 95 3HD PRO 95 14.288 -13.792 -4.250 789 HA PRO 96 HA PRO 96 14.823 -7.118 -5.740 790 1HB PRO 96 2HB PRO 96 17.230 -5.868 -6.283 791 2HB PRO 96 3HB PRO 96 16.482 -5.917 -4.660 792 1HG PRO 96 2HG PRO 96 18.597 -7.782 -5.780 793 2HG PRO 96 3HG PRO 96 18.633 -6.908 -4.218 794 1HD PRO 96 2HD PRO 96 17.835 -9.492 -4.360 795 2HD PRO 96 3HD PRO 96 16.962 -8.351 -3.295 796 HA PRO 97 HA PRO 97 15.144 -8.416 -9.986 797 1HB PRO 97 2HB PRO 97 14.538 -6.140 -11.380 798 2HB PRO 97 3HB PRO 97 13.336 -7.012 -10.385 799 1HG PRO 97 2HG PRO 97 14.997 -4.608 -9.570 800 2HG PRO 97 3HG PRO 97 13.225 -4.806 -9.424 801 1HD PRO 97 2HD PRO 97 14.879 -5.304 -7.332 802 2HD PRO 97 3HD PRO 97 13.472 -6.368 -7.639 Start of MODEL 18 1 1H MET 1 1H MET 1 -10.765 -2.560 -11.290 2 2H MET 1 2H MET 1 -9.439 -1.654 -11.638 3 3H MET 1 3H MET 1 -10.871 -0.907 -11.247 4 HA MET 1 HA MET 1 -11.880 -1.837 -13.215 5 1HB MET 1 2HB MET 1 -9.489 -0.006 -13.359 6 2HB MET 1 3HB MET 1 -10.206 -0.544 -14.879 7 1HG MET 1 2HG MET 1 -12.430 0.216 -14.141 8 2HG MET 1 3HG MET 1 -11.722 0.875 -12.661 9 1HE MET 1 1HE MET 1 -10.179 3.006 -12.606 10 2HE MET 1 2HE MET 1 -9.012 2.240 -13.718 11 3HE MET 1 3HE MET 1 -9.626 3.872 -14.059 12 H GLY 2 H GLY 2 -11.166 -2.471 -15.554 13 1HA GLY 2 2HA GLY 2 -10.198 -5.178 -15.370 14 2HA GLY 2 3HA GLY 2 -10.604 -4.282 -16.843 15 H GLU 3 H GLU 3 -8.177 -5.913 -15.601 16 HA GLU 3 HA GLU 3 -6.041 -6.174 -16.277 17 1HB GLU 3 2HB GLU 3 -6.634 -4.314 -18.138 18 2HB GLU 3 3HB GLU 3 -5.566 -3.339 -17.130 19 1HG GLU 3 2HG GLU 3 -3.812 -5.201 -17.442 20 2HG GLU 3 3HG GLU 3 -4.991 -6.053 -18.441 21 H TRP 4 H TRP 4 -4.000 -4.274 -15.765 22 HA TRP 4 HA TRP 4 -4.282 -3.869 -12.816 23 1HB TRP 4 2HB TRP 4 -1.736 -4.093 -14.442 24 2HB TRP 4 3HB TRP 4 -1.868 -3.799 -12.732 25 HD1 TRP 4 HD TRP 4 -3.059 -6.709 -15.041 26 HE1 TRP 4 1HE TRP 4 -2.476 -8.905 -13.891 27 HE3 TRP 4 3HE TRP 4 -0.951 -4.823 -10.809 28 HZ2 TRP 4 2HZ TRP 4 -1.236 -9.760 -11.392 29 HZ3 TRP 4 3HZ TRP 4 -0.111 -6.331 -9.038 30 HH2 TRP 4 HH TRP 4 -0.237 -8.806 -9.317 31 H GLU 5 H GLU 5 -3.533 -1.868 -12.043 32 HA GLU 5 HA GLU 5 -3.112 0.331 -13.994 33 1HB GLU 5 2HB GLU 5 -5.129 0.241 -11.699 34 2HB GLU 5 3HB GLU 5 -4.571 1.713 -12.457 35 1HG GLU 5 2HG GLU 5 -6.603 1.283 -13.531 36 2HG GLU 5 3HG GLU 5 -5.372 0.801 -14.702 37 H ILE 6 H ILE 6 -2.410 2.268 -12.862 38 HA ILE 6 HA ILE 6 -0.161 1.859 -11.174 39 HB ILE 6 HB ILE 6 -0.085 4.288 -11.011 40 1HG1 ILE 6 2HG1 ILE 6 -1.979 5.416 -12.613 41 2HG1 ILE 6 3HG1 ILE 6 -2.964 4.154 -11.874 42 1HG2 ILE 6 1HG2 ILE 6 0.718 3.126 -13.056 43 2HG2 ILE 6 2HG2 ILE 6 -0.842 3.461 -13.839 44 3HG2 ILE 6 3HG2 ILE 6 0.212 4.797 -13.342 45 1HD1 ILE 6 1HD1 ILE 6 -2.288 5.038 -9.609 46 2HD1 ILE 6 2HD1 ILE 6 -1.321 6.284 -10.424 47 3HD1 ILE 6 3HD1 ILE 6 -3.082 6.258 -10.614 48 H ILE 7 H ILE 7 0.123 2.302 -9.040 49 HA ILE 7 HA ILE 7 -2.168 1.974 -7.235 50 HB ILE 7 HB ILE 7 -0.075 0.665 -7.077 51 1HG1 ILE 7 2HG1 ILE 7 -0.464 2.382 -4.608 52 2HG1 ILE 7 3HG1 ILE 7 -1.500 1.006 -5.088 53 1HG2 ILE 7 1HG2 ILE 7 1.455 2.614 -7.752 54 2HG2 ILE 7 2HG2 ILE 7 1.285 3.183 -6.078 55 3HG2 ILE 7 3HG2 ILE 7 1.975 1.595 -6.430 56 1HD1 ILE 7 1HD1 ILE 7 0.039 0.270 -3.421 57 2HD1 ILE 7 2HD1 ILE 7 0.479 -0.489 -4.965 58 3HD1 ILE 7 3HD1 ILE 7 1.427 0.882 -4.321 59 H ASP 8 H ASP 8 -3.131 3.744 -6.227 60 HA ASP 8 HA ASP 8 -2.241 6.368 -6.984 61 1HB ASP 8 2HB ASP 8 -4.641 5.580 -6.766 62 2HB ASP 8 3HB ASP 8 -4.449 5.670 -5.013 63 H ILE 9 H ILE 9 -1.999 8.140 -5.406 64 HA ILE 9 HA ILE 9 0.027 7.380 -3.370 65 HB ILE 9 HB ILE 9 -0.492 9.983 -4.848 66 1HG1 ILE 9 2HG1 ILE 9 0.225 8.297 -6.451 67 2HG1 ILE 9 3HG1 ILE 9 1.545 9.410 -6.147 68 1HG2 ILE 9 1HG2 ILE 9 0.698 10.640 -2.922 69 2HG2 ILE 9 2HG2 ILE 9 1.743 9.197 -2.953 70 3HG2 ILE 9 3HG2 ILE 9 1.923 10.477 -4.167 71 1HD1 ILE 9 1HD1 ILE 9 2.528 7.722 -4.527 72 2HD1 ILE 9 2HD1 ILE 9 1.254 6.585 -5.030 73 3HD1 ILE 9 3HD1 ILE 9 2.429 7.171 -6.207 74 H GLY 10 H GLY 10 0.173 9.195 -1.520 75 1HA GLY 10 2HA GLY 10 -0.828 10.076 0.327 76 2HA GLY 10 3HA GLY 10 -2.203 10.485 -0.700 77 HA PRO 11 HA PRO 11 -3.886 7.462 2.273 78 1HB PRO 11 2HB PRO 11 -6.547 7.860 1.960 79 2HB PRO 11 3HB PRO 11 -5.485 9.130 2.620 80 1HG PRO 11 2HG PRO 11 -6.373 8.818 -0.267 81 2HG PRO 11 3HG PRO 11 -6.536 10.270 0.764 82 1HD PRO 11 2HD PRO 11 -4.437 9.945 -0.941 83 2HD PRO 11 3HD PRO 11 -4.200 10.700 0.667 84 H PHE 12 H PHE 12 -2.746 6.108 0.362 85 HA PHE 12 HA PHE 12 -4.541 3.954 -0.307 86 1HB PHE 12 2HB PHE 12 -4.833 5.825 -2.064 87 2HB PHE 12 3HB PHE 12 -3.242 5.448 -2.608 88 HD1 PHE 12 1HD PHE 12 -6.751 4.434 -2.342 89 HD2 PHE 12 2HD PHE 12 -2.884 3.176 -3.776 90 HE1 PHE 12 1HE PHE 12 -7.845 3.165 -4.168 91 HE2 PHE 12 2HE PHE 12 -3.998 1.854 -5.568 92 HZ PHE 12 HZ PHE 12 -6.463 2.007 -5.874 93 H THR 13 H THR 13 -1.421 4.904 -1.982 94 HA THR 13 HA THR 13 -0.198 2.458 -1.319 95 HB THR 13 HB THR 13 0.541 4.038 -3.102 96 HG1 THR 13 1HG THR 13 2.473 3.120 -1.253 97 1HG2 THR 13 1HG2 THR 13 0.569 6.135 -1.627 98 2HG2 THR 13 2HG2 THR 13 2.092 5.530 -0.945 99 3HG2 THR 13 3HG2 THR 13 1.982 5.880 -2.672 100 H GLN 14 H GLN 14 -0.143 5.607 0.374 101 HA GLN 14 HA GLN 14 1.744 4.694 2.383 102 1HB GLN 14 2HB GLN 14 0.399 7.186 1.620 103 2HB GLN 14 3HB GLN 14 0.447 6.975 3.360 104 1HG GLN 14 2HG GLN 14 2.869 6.881 3.317 105 2HG GLN 14 3HG GLN 14 2.886 6.535 1.580 106 1HE2 GLN 14 2HE2 GLN 14 2.639 9.138 3.967 107 2HE2 GLN 14 1HE2 GLN 14 2.725 10.423 2.776 108 H ASN 15 H ASN 15 -1.797 5.084 2.222 109 HA ASN 15 HA ASN 15 -2.442 4.303 4.850 110 1HB ASN 15 2HB ASN 15 -3.989 5.035 2.933 111 2HB ASN 15 3HB ASN 15 -4.007 3.356 2.414 112 1HD2 ASN 15 2HD2 ASN 15 -3.978 2.228 5.284 113 2HD2 ASN 15 1HD2 ASN 15 -5.592 2.601 5.839 114 H LEU 16 H LEU 16 -1.830 2.294 1.972 115 HA LEU 16 HA LEU 16 -2.186 -0.262 3.276 116 1HB LEU 16 2HB LEU 16 -0.779 0.622 0.726 117 2HB LEU 16 3HB LEU 16 -0.954 -1.061 1.201 118 HG LEU 16 HG LEU 16 -3.358 0.791 0.747 119 1HD1 LEU 16 1HD1 LEU 16 -2.046 0.549 -1.284 120 2HD1 LEU 16 2HD1 LEU 16 -2.119 -1.212 -1.141 121 3HD1 LEU 16 3HD1 LEU 16 -3.609 -0.257 -1.373 122 1HD2 LEU 16 1HD2 LEU 16 -3.057 -2.014 1.628 123 2HD2 LEU 16 2HD2 LEU 16 -4.229 -0.789 2.096 124 3HD2 LEU 16 3HD2 LEU 16 -4.396 -1.601 0.535 125 H ALA 17 H ALA 17 0.770 1.619 2.479 126 HA ALA 17 HA ALA 17 2.690 -0.127 3.612 127 1HB ALA 17 1HB ALA 17 3.186 1.905 2.279 128 2HB ALA 17 2HB ALA 17 2.704 2.910 3.664 129 3HB ALA 17 3HB ALA 17 4.098 1.819 3.798 130 H LYS 18 H LYS 18 0.721 2.460 5.184 131 HA LYS 18 HA LYS 18 1.747 1.921 7.772 132 1HB LYS 18 2HB LYS 18 -0.310 3.684 6.677 133 2HB LYS 18 3HB LYS 18 -0.938 2.858 8.091 134 1HG LYS 18 2HG LYS 18 1.536 4.603 7.962 135 2HG LYS 18 3HG LYS 18 0.010 4.902 8.800 136 1HD LYS 18 2HD LYS 18 0.638 2.633 10.098 137 2HD LYS 18 3HD LYS 18 2.272 3.029 9.551 138 1HE LYS 18 2HE LYS 18 2.163 4.009 11.657 139 2HE LYS 18 3HE LYS 18 1.897 5.371 10.558 140 1HZ LYS 18 1HZ LYS 18 -0.478 5.078 10.967 141 2HZ LYS 18 2HZ LYS 18 -0.159 3.846 12.013 142 3HZ LYS 18 3HZ LYS 18 0.349 5.372 12.363 143 H PHE 19 H PHE 19 -1.235 0.739 6.143 144 HA PHE 19 HA PHE 19 -2.358 -0.710 8.184 145 1HB PHE 19 2HB PHE 19 -3.361 -0.524 5.945 146 2HB PHE 19 3HB PHE 19 -2.117 -1.563 5.278 147 HD1 PHE 19 1HD PHE 19 -3.111 -3.540 4.522 148 HD2 PHE 19 2HD PHE 19 -4.261 -1.970 8.379 149 HE1 PHE 19 1HE PHE 19 -4.653 -5.444 4.844 150 HE2 PHE 19 2HE PHE 19 -5.800 -3.884 8.687 151 HZ PHE 19 HZ PHE 19 -6.050 -5.598 6.894 152 H ALA 20 H ALA 20 0.152 -1.883 5.941 153 HA ALA 20 HA ALA 20 0.669 -4.423 7.053 154 1HB ALA 20 1HB ALA 20 2.648 -2.397 5.921 155 2HB ALA 20 2HB ALA 20 3.078 -4.052 6.377 156 3HB ALA 20 3HB ALA 20 1.909 -3.770 5.092 157 H VAL 21 H VAL 21 2.477 -1.427 7.984 158 HA VAL 21 HA VAL 21 3.924 -2.761 10.019 159 HB VAL 21 HB VAL 21 3.284 0.206 9.693 160 1HG1 VAL 21 1HG1 VAL 21 4.158 -0.256 11.978 161 2HG1 VAL 21 2HG1 VAL 21 5.465 -1.241 11.293 162 3HG1 VAL 21 3HG1 VAL 21 5.425 0.509 11.010 163 1HG2 VAL 21 1HG2 VAL 21 5.745 -1.339 8.862 164 2HG2 VAL 21 2HG2 VAL 21 4.483 -0.839 7.720 165 3HG2 VAL 21 3HG2 VAL 21 5.446 0.375 8.576 166 H ASP 22 H ASP 22 1.054 -0.695 10.161 167 HA ASP 22 HA ASP 22 0.633 -0.524 12.932 168 1HB ASP 22 2HB ASP 22 -0.526 0.933 11.370 169 2HB ASP 22 3HB ASP 22 -1.285 -0.444 10.558 170 H GLU 23 H GLU 23 -1.124 -2.714 10.593 171 HA GLU 23 HA GLU 23 -2.445 -4.113 12.597 172 1HB GLU 23 2HB GLU 23 -2.637 -4.033 9.967 173 2HB GLU 23 3HB GLU 23 -1.615 -5.468 10.008 174 1HG GLU 23 2HG GLU 23 -4.234 -5.058 11.535 175 2HG GLU 23 3HG GLU 23 -4.145 -5.717 9.897 176 H GLU 24 H GLU 24 0.741 -4.758 11.057 177 HA GLU 24 HA GLU 24 1.299 -7.148 12.431 178 1HB GLU 24 2HB GLU 24 2.655 -5.846 10.576 179 2HB GLU 24 3HB GLU 24 3.469 -5.089 11.948 180 1HG GLU 24 2HG GLU 24 3.293 -7.972 11.078 181 2HG GLU 24 3HG GLU 24 4.764 -7.005 11.267 182 H ASN 25 H ASN 25 1.987 -3.738 13.421 183 HA ASN 25 HA ASN 25 3.173 -4.386 15.923 184 1HB ASN 25 2HB ASN 25 2.289 -1.942 14.534 185 2HB ASN 25 3HB ASN 25 1.851 -1.889 16.229 186 1HD2 ASN 25 2HD2 ASN 25 4.678 -2.982 14.257 187 2HD2 ASN 25 1HD2 ASN 25 5.871 -2.235 15.318 188 H LYS 26 H LYS 26 -0.253 -4.002 14.977 189 HA LYS 26 HA LYS 26 -1.288 -4.046 17.636 190 1HB LYS 26 2HB LYS 26 -2.659 -3.155 16.042 191 2HB LYS 26 3HB LYS 26 -2.308 -4.366 14.830 192 1HG LYS 26 2HG LYS 26 -4.629 -4.299 15.748 193 2HG LYS 26 3HG LYS 26 -3.864 -5.885 15.627 194 1HD LYS 26 2HD LYS 26 -3.641 -6.141 17.905 195 2HD LYS 26 3HD LYS 26 -3.628 -4.393 18.231 196 1HE LYS 26 2HE LYS 26 -6.012 -4.233 17.893 197 2HE LYS 26 3HE LYS 26 -6.093 -5.843 17.149 198 1HZ LYS 26 1HZ LYS 26 -5.562 -6.811 19.228 199 2HZ LYS 26 2HZ LYS 26 -5.412 -5.339 19.956 200 3HZ LYS 26 3HZ LYS 26 -6.882 -5.839 19.397 201 H ILE 27 H ILE 27 -1.113 -6.703 15.167 202 HA ILE 27 HA ILE 27 -1.792 -8.644 17.217 203 HB ILE 27 HB ILE 27 -0.915 -8.896 14.327 204 1HG1 ILE 27 2HG1 ILE 27 -3.089 -7.863 14.535 205 2HG1 ILE 27 3HG1 ILE 27 -3.267 -9.508 13.939 206 1HG2 ILE 27 1HG2 ILE 27 -0.241 -10.934 15.297 207 2HG2 ILE 27 2HG2 ILE 27 -1.716 -11.084 16.272 208 3HG2 ILE 27 3HG2 ILE 27 -1.780 -11.261 14.502 209 1HD1 ILE 27 1HD1 ILE 27 -3.881 -10.228 16.304 210 2HD1 ILE 27 2HD1 ILE 27 -3.907 -8.505 16.749 211 3HD1 ILE 27 3HD1 ILE 27 -5.018 -9.117 15.526 212 H GLY 28 H GLY 28 1.306 -8.103 15.496 213 1HA GLY 28 2HA GLY 28 3.446 -8.623 16.153 214 2HA GLY 28 3HA GLY 28 2.838 -9.114 17.736 215 H GLN 29 H GLN 29 2.614 -10.231 14.319 216 HA GLN 29 HA GLN 29 3.191 -13.031 15.207 217 1HB GLN 29 2HB GLN 29 1.431 -11.959 13.123 218 2HB GLN 29 3HB GLN 29 2.644 -13.072 12.486 219 1HG GLN 29 2HG GLN 29 0.811 -14.401 13.004 220 2HG GLN 29 3HG GLN 29 2.023 -14.759 14.229 221 1HE2 GLN 29 2HE2 GLN 29 1.649 -13.059 16.358 222 2HE2 GLN 29 1HE2 GLN 29 -0.031 -13.082 16.827 223 H TYR 30 H TYR 30 4.309 -10.618 12.799 224 HA TYR 30 HA TYR 30 6.823 -12.255 12.569 225 1HB TYR 30 2HB TYR 30 6.809 -10.574 10.358 226 2HB TYR 30 3HB TYR 30 6.534 -12.295 10.415 227 HD1 TYR 30 1HD TYR 30 5.060 -9.149 9.505 228 HD2 TYR 30 2HD TYR 30 4.185 -13.219 10.603 229 HE1 TYR 30 1HE TYR 30 2.695 -8.834 8.816 230 HE2 TYR 30 2HE TYR 30 1.805 -12.871 10.004 231 HH TYR 30 HH TYR 30 0.193 -11.285 9.523 232 H GLY 31 H GLY 31 5.952 -8.869 11.901 233 1HA GLY 31 2HA GLY 31 6.861 -7.042 13.377 234 2HA GLY 31 3HA GLY 31 8.350 -7.976 13.499 235 H ARG 32 H ARG 32 7.445 -5.261 12.099 236 HA ARG 32 HA ARG 32 7.960 -5.957 9.315 237 1HB ARG 32 2HB ARG 32 6.092 -4.436 10.224 238 2HB ARG 32 3HB ARG 32 7.313 -3.175 10.361 239 1HG ARG 32 2HG ARG 32 6.895 -4.730 7.769 240 2HG ARG 32 3HG ARG 32 5.755 -3.492 8.273 241 1HD ARG 32 2HD ARG 32 7.918 -1.982 8.481 242 2HD ARG 32 3HD ARG 32 8.617 -3.164 7.364 243 HE ARG 32 HE ARG 32 6.282 -2.624 6.129 244 1HH1 ARG 32 1HH2 ARG 32 8.653 -0.382 7.453 245 2HH1 ARG 32 2HH2 ARG 32 8.212 0.942 6.409 246 1HH2 ARG 32 1HH1 ARG 32 5.584 -0.866 4.867 247 2HH2 ARG 32 2HH1 ARG 32 6.414 0.662 4.941 248 H LEU 33 H LEU 33 10.119 -6.534 10.758 249 HA LEU 33 HA LEU 33 12.282 -6.097 11.263 250 1HB LEU 33 2HB LEU 33 12.060 -4.712 8.587 251 2HB LEU 33 3HB LEU 33 13.545 -5.311 9.340 252 HG LEU 33 HG LEU 33 12.827 -6.759 7.557 253 1HD1 LEU 33 1HD1 LEU 33 13.960 -7.745 9.595 254 2HD1 LEU 33 2HD1 LEU 33 12.359 -8.211 10.195 255 3HD1 LEU 33 3HD1 LEU 33 12.967 -8.896 8.679 256 1HD2 LEU 33 1HD2 LEU 33 10.372 -7.720 8.971 257 2HD2 LEU 33 2HD2 LEU 33 10.297 -6.404 7.783 258 3HD2 LEU 33 3HD2 LEU 33 10.914 -7.997 7.325 259 H THR 34 H THR 34 13.330 -3.308 9.967 260 HA THR 34 HA THR 34 12.409 -1.678 12.312 261 HB THR 34 HB THR 34 14.692 -2.395 12.488 262 HG1 THR 34 1HG THR 34 13.923 -0.364 13.290 263 1HG2 THR 34 1HG2 THR 34 15.254 -2.389 10.007 264 2HG2 THR 34 2HG2 THR 34 15.390 -0.622 10.130 265 3HG2 THR 34 3HG2 THR 34 16.448 -1.655 11.099 266 H PHE 35 H PHE 35 10.656 -1.199 11.187 267 HA PHE 35 HA PHE 35 9.363 -0.104 9.431 268 1HB PHE 35 2HB PHE 35 9.478 2.341 10.611 269 2HB PHE 35 3HB PHE 35 8.600 0.950 11.201 270 HD1 PHE 35 1HD PHE 35 12.079 2.399 11.411 271 HD2 PHE 35 2HD PHE 35 8.920 0.249 13.423 272 HE1 PHE 35 1HE PHE 35 13.469 2.257 13.454 273 HE2 PHE 35 2HE PHE 35 10.308 0.128 15.464 274 HZ PHE 35 HZ PHE 35 12.583 1.129 15.492 275 H ASN 36 H ASN 36 10.624 -0.372 7.540 276 HA ASN 36 HA ASN 36 12.587 1.638 6.837 277 1HB ASN 36 2HB ASN 36 12.010 -0.710 5.049 278 2HB ASN 36 3HB ASN 36 13.530 0.054 5.484 279 1HD2 ASN 36 2HD2 ASN 36 10.823 -1.984 6.605 280 2HD2 ASN 36 1HD2 ASN 36 11.688 -2.841 7.861 281 H LYS 37 H LYS 37 10.767 0.216 4.093 282 HA LYS 37 HA LYS 37 8.909 2.312 3.768 283 1HB LYS 37 2HB LYS 37 11.161 3.541 3.392 284 2HB LYS 37 3HB LYS 37 11.387 2.502 1.981 285 1HG LYS 37 2HG LYS 37 9.340 3.456 0.974 286 2HG LYS 37 3HG LYS 37 9.026 4.384 2.463 287 1HD LYS 37 2HD LYS 37 11.135 5.651 2.038 288 2HD LYS 37 3HD LYS 37 11.425 4.652 0.596 289 1HE LYS 37 2HE LYS 37 9.178 5.442 -0.311 290 2HE LYS 37 3HE LYS 37 9.089 6.570 1.055 291 1HZ LYS 37 1HZ LYS 37 11.118 7.565 0.265 292 2HZ LYS 37 2HZ LYS 37 11.197 6.496 -0.989 293 3HZ LYS 37 3HZ LYS 37 9.964 7.585 -0.912 294 H VAL 38 H VAL 38 8.044 2.087 1.449 295 HA VAL 38 HA VAL 38 8.378 -0.652 0.362 296 HB VAL 38 HB VAL 38 6.118 -0.121 1.135 297 1HG1 VAL 38 1HG1 VAL 38 6.098 2.345 0.929 298 2HG1 VAL 38 2HG1 VAL 38 6.158 2.205 -0.839 299 3HG1 VAL 38 3HG1 VAL 38 4.745 1.631 0.056 300 1HG2 VAL 38 1HG2 VAL 38 6.373 -0.310 -1.881 301 2HG2 VAL 38 2HG2 VAL 38 6.138 -1.611 -0.695 302 3HG2 VAL 38 3HG2 VAL 38 4.853 -0.436 -0.994 303 H ILE 39 H ILE 39 9.060 -0.885 -1.785 304 HA ILE 39 HA ILE 39 10.437 1.433 -2.901 305 HB ILE 39 HB ILE 39 11.057 0.049 -4.738 306 1HG1 ILE 39 2HG1 ILE 39 10.171 -2.481 -4.519 307 2HG1 ILE 39 3HG1 ILE 39 8.743 -1.647 -3.881 308 1HG2 ILE 39 1HG2 ILE 39 12.135 -0.338 -2.480 309 2HG2 ILE 39 2HG2 ILE 39 11.089 -1.773 -2.321 310 3HG2 ILE 39 3HG2 ILE 39 12.268 -1.675 -3.636 311 1HD1 ILE 39 1HD1 ILE 39 8.479 -0.448 -6.011 312 2HD1 ILE 39 2HD1 ILE 39 10.048 -1.064 -6.579 313 3HD1 ILE 39 3HD1 ILE 39 8.681 -2.167 -6.340 314 H ARG 40 H ARG 40 9.899 2.123 -5.293 315 HA ARG 40 HA ARG 40 7.137 1.850 -5.993 316 1HB ARG 40 2HB ARG 40 8.242 4.425 -4.894 317 2HB ARG 40 3HB ARG 40 7.382 4.571 -6.406 318 1HG ARG 40 2HG ARG 40 5.615 4.879 -5.079 319 2HG ARG 40 3HG ARG 40 5.490 3.140 -5.232 320 1HD ARG 40 2HD ARG 40 5.592 2.922 -3.021 321 2HD ARG 40 3HD ARG 40 7.182 3.654 -2.934 322 HE ARG 40 HE ARG 40 4.590 4.836 -2.323 323 1HH1 ARG 40 1HH2 ARG 40 7.879 5.616 -3.299 324 2HH1 ARG 40 2HH2 ARG 40 7.755 7.319 -2.945 325 1HH2 ARG 40 1HH1 ARG 40 4.398 7.061 -1.813 326 2HH2 ARG 40 2HH1 ARG 40 5.741 8.143 -2.051 327 HA PRO 41 HA PRO 41 5.926 3.299 -7.675 328 1HB PRO 41 2HB PRO 41 4.981 2.671 -10.134 329 2HB PRO 41 3HB PRO 41 5.860 4.191 -9.800 330 1HG PRO 41 2HG PRO 41 6.997 1.629 -10.952 331 2HG PRO 41 3HG PRO 41 7.178 3.291 -11.593 332 1HD PRO 41 2HD PRO 41 9.085 2.125 -10.007 333 2HD PRO 41 3HD PRO 41 8.717 3.866 -9.872 334 H CYS 42 H CYS 42 4.045 1.878 -7.596 335 HA CYS 42 HA CYS 42 4.615 -1.050 -7.604 336 1HB CYS 42 2HB CYS 42 3.470 0.633 -5.350 337 2HB CYS 42 3HB CYS 42 2.935 -1.029 -5.594 338 HG CYS 42 HG CYS 42 5.824 0.302 -4.797 339 H MET 43 H MET 43 2.100 -2.112 -7.332 340 HA MET 43 HA MET 43 0.491 -0.722 -9.417 341 1HB MET 43 2HB MET 43 2.427 -2.428 -10.215 342 2HB MET 43 3HB MET 43 1.190 -3.628 -9.826 343 1HG MET 43 2HG MET 43 -0.371 -2.394 -11.375 344 2HG MET 43 3HG MET 43 0.929 -1.230 -11.687 345 1HE MET 43 1HE MET 43 -0.455 -2.184 -14.055 346 2HE MET 43 2HE MET 43 1.115 -1.379 -14.252 347 3HE MET 43 3HE MET 43 0.782 -2.893 -15.123 348 H LYS 44 H LYS 44 -1.695 -1.782 -9.792 349 HA LYS 44 HA LYS 44 -2.446 -3.733 -7.748 350 1HB LYS 44 2HB LYS 44 -3.964 -2.426 -6.589 351 2HB LYS 44 3HB LYS 44 -2.569 -1.351 -6.787 352 1HG LYS 44 2HG LYS 44 -4.105 0.170 -7.442 353 2HG LYS 44 3HG LYS 44 -4.016 -0.652 -8.987 354 1HD LYS 44 2HD LYS 44 -5.912 -2.217 -7.606 355 2HD LYS 44 3HD LYS 44 -6.164 -0.654 -6.864 356 1HE LYS 44 2HE LYS 44 -6.425 0.387 -9.137 357 2HE LYS 44 3HE LYS 44 -6.153 -1.201 -9.886 358 1HZ LYS 44 1HZ LYS 44 -8.097 -2.001 -8.821 359 2HZ LYS 44 2HZ LYS 44 -8.371 -0.551 -8.085 360 3HZ LYS 44 3HZ LYS 44 -8.456 -0.675 -9.727 361 H LYS 45 H LYS 45 -4.748 -4.450 -8.062 362 HA LYS 45 HA LYS 45 -5.881 -3.979 -10.724 363 1HB LYS 45 2HB LYS 45 -5.544 -6.217 -11.540 364 2HB LYS 45 3HB LYS 45 -3.983 -5.606 -11.042 365 1HG LYS 45 2HG LYS 45 -3.700 -7.429 -9.743 366 2HG LYS 45 3HG LYS 45 -4.956 -6.828 -8.684 367 1HD LYS 45 2HD LYS 45 -5.996 -8.765 -9.150 368 2HD LYS 45 3HD LYS 45 -6.508 -7.963 -10.637 369 1HE LYS 45 2HE LYS 45 -4.447 -8.861 -11.789 370 2HE LYS 45 3HE LYS 45 -4.053 -9.752 -10.304 371 1HZ LYS 45 1HZ LYS 45 -6.159 -10.888 -10.532 372 2HZ LYS 45 2HZ LYS 45 -6.455 -10.101 -11.951 373 3HZ LYS 45 3HZ LYS 45 -5.180 -11.138 -11.832 374 H THR 46 H THR 46 -7.772 -5.716 -10.947 375 HA THR 46 HA THR 46 -8.926 -6.312 -8.270 376 HB THR 46 HB THR 46 -10.074 -4.467 -9.527 377 HG1 THR 46 1HG THR 46 -11.488 -6.827 -8.826 378 1HG2 THR 46 1HG2 THR 46 -9.948 -5.591 -11.806 379 2HG2 THR 46 2HG2 THR 46 -11.215 -6.684 -11.234 380 3HG2 THR 46 3HG2 THR 46 -11.540 -4.947 -11.347 381 H ILE 47 H ILE 47 -8.820 -8.406 -7.913 382 HA ILE 47 HA ILE 47 -8.449 -10.273 -10.187 383 HB ILE 47 HB ILE 47 -7.168 -10.776 -8.286 384 1HG1 ILE 47 2HG1 ILE 47 -9.502 -12.752 -8.217 385 2HG1 ILE 47 3HG1 ILE 47 -8.333 -12.683 -9.539 386 1HG2 ILE 47 1HG2 ILE 47 -8.174 -9.660 -6.523 387 2HG2 ILE 47 2HG2 ILE 47 -9.744 -10.427 -6.803 388 3HG2 ILE 47 3HG2 ILE 47 -8.408 -11.353 -6.077 389 1HD1 ILE 47 1HD1 ILE 47 -6.478 -13.087 -7.880 390 2HD1 ILE 47 2HD1 ILE 47 -7.705 -13.347 -6.623 391 3HD1 ILE 47 3HD1 ILE 47 -7.640 -14.421 -8.021 392 H TYR 48 H TYR 48 -9.828 -11.885 -10.844 393 HA TYR 48 HA TYR 48 -12.711 -11.568 -10.260 394 1HB TYR 48 2HB TYR 48 -11.184 -12.427 -12.751 395 2HB TYR 48 3HB TYR 48 -12.932 -12.300 -12.674 396 HD1 TYR 48 1HD TYR 48 -13.326 -9.789 -11.329 397 HD2 TYR 48 2HD TYR 48 -10.459 -10.843 -14.337 398 HE1 TYR 48 1HE TYR 48 -13.440 -7.460 -12.240 399 HE2 TYR 48 2HE TYR 48 -10.485 -8.516 -15.198 400 HH TYR 48 HH TYR 48 -12.576 -5.988 -13.781 401 H GLU 49 H GLU 49 -13.680 -13.626 -11.331 402 HA GLU 49 HA GLU 49 -13.087 -15.834 -9.546 403 1HB GLU 49 2HB GLU 49 -15.094 -16.755 -10.621 404 2HB GLU 49 3HB GLU 49 -15.373 -15.192 -9.829 405 1HG GLU 49 2HG GLU 49 -14.802 -15.214 -12.807 406 2HG GLU 49 3HG GLU 49 -16.362 -15.797 -12.247 407 H ASN 50 H ASN 50 -10.939 -15.555 -11.005 408 HA ASN 50 HA ASN 50 -10.869 -17.170 -13.431 409 1HB ASN 50 2HB ASN 50 -8.645 -16.252 -11.541 410 2HB ASN 50 3HB ASN 50 -8.368 -17.128 -13.054 411 1HD2 ASN 50 2HD2 ASN 50 -7.002 -15.226 -13.550 412 2HD2 ASN 50 1HD2 ASN 50 -7.803 -13.852 -14.298 413 H GLU 51 H GLU 51 -12.292 -18.857 -12.100 414 HA GLU 51 HA GLU 51 -10.752 -21.169 -11.825 415 1HB GLU 51 2HB GLU 51 -10.446 -19.846 -9.538 416 2HB GLU 51 3HB GLU 51 -12.101 -20.329 -9.217 417 1HG GLU 51 2HG GLU 51 -11.394 -22.418 -8.591 418 2HG GLU 51 3HG GLU 51 -10.487 -22.641 -10.095 419 H GLY 52 H GLY 52 -12.454 -22.969 -10.921 420 1HA GLY 52 2HA GLY 52 -14.765 -22.689 -12.641 421 2HA GLY 52 3HA GLY 52 -14.279 -24.110 -11.714 422 H PHE 53 H PHE 53 -14.973 -20.791 -10.660 423 HA PHE 53 HA PHE 53 -17.525 -21.376 -9.459 424 1HB PHE 53 2HB PHE 53 -15.123 -21.803 -7.820 425 2HB PHE 53 3HB PHE 53 -16.080 -20.497 -7.165 426 HD1 PHE 53 1HD PHE 53 -18.585 -20.855 -6.727 427 HD2 PHE 53 2HD PHE 53 -15.833 -24.092 -7.489 428 HE1 PHE 53 1HE PHE 53 -20.185 -22.459 -5.722 429 HE2 PHE 53 2HE PHE 53 -17.416 -25.679 -6.437 430 HZ PHE 53 HZ PHE 53 -19.598 -24.870 -5.561 431 H ARG 54 H ARG 54 -18.603 -19.490 -9.633 432 HA ARG 54 HA ARG 54 -17.238 -17.035 -10.328 433 1HB ARG 54 2HB ARG 54 -19.263 -17.708 -11.408 434 2HB ARG 54 3HB ARG 54 -20.160 -17.667 -9.883 435 1HG ARG 54 2HG ARG 54 -20.492 -15.454 -10.006 436 2HG ARG 54 3HG ARG 54 -18.806 -15.099 -10.374 437 1HD ARG 54 2HD ARG 54 -19.087 -15.400 -12.699 438 2HD ARG 54 3HD ARG 54 -20.646 -16.200 -12.537 439 HE ARG 54 HE ARG 54 -20.070 -13.335 -12.495 440 1HH1 ARG 54 1HH2 ARG 54 -22.375 -15.804 -11.481 441 2HH1 ARG 54 2HH2 ARG 54 -23.768 -14.758 -11.540 442 1HH2 ARG 54 1HH1 ARG 54 -21.877 -11.923 -12.538 443 2HH2 ARG 54 2HH1 ARG 54 -23.468 -12.499 -12.120 444 H GLU 55 H GLU 55 -16.002 -17.282 -8.164 445 HA GLU 55 HA GLU 55 -17.403 -15.748 -6.001 446 1HB GLU 55 2HB GLU 55 -16.580 -18.218 -5.640 447 2HB GLU 55 3HB GLU 55 -14.969 -17.508 -5.609 448 1HG GLU 55 2HG GLU 55 -15.565 -17.546 -3.361 449 2HG GLU 55 3HG GLU 55 -15.989 -15.885 -3.791 450 H ILE 56 H ILE 56 -16.930 -13.753 -7.048 451 HA ILE 56 HA ILE 56 -14.294 -12.887 -7.800 452 HB ILE 56 HB ILE 56 -16.687 -11.278 -6.856 453 1HG1 ILE 56 2HG1 ILE 56 -16.183 -11.117 -9.707 454 2HG1 ILE 56 3HG1 ILE 56 -16.286 -12.820 -9.267 455 1HG2 ILE 56 1HG2 ILE 56 -14.598 -9.962 -6.770 456 2HG2 ILE 56 2HG2 ILE 56 -14.216 -10.429 -8.434 457 3HG2 ILE 56 3HG2 ILE 56 -15.632 -9.411 -8.089 458 1HD1 ILE 56 1HD1 ILE 56 -18.470 -12.423 -8.173 459 2HD1 ILE 56 2HD1 ILE 56 -18.358 -10.694 -8.588 460 3HD1 ILE 56 3HD1 ILE 56 -18.488 -11.911 -9.874 461 H LYS 57 H LYS 57 -12.637 -12.160 -6.536 462 HA LYS 57 HA LYS 57 -12.844 -12.146 -3.610 463 1HB LYS 57 2HB LYS 57 -10.695 -11.966 -5.684 464 2HB LYS 57 3HB LYS 57 -10.328 -11.359 -4.062 465 1HG LYS 57 2HG LYS 57 -11.574 -14.099 -4.312 466 2HG LYS 57 3HG LYS 57 -9.908 -13.896 -4.873 467 1HD LYS 57 2HD LYS 57 -9.214 -12.952 -2.720 468 2HD LYS 57 3HD LYS 57 -10.867 -13.099 -2.090 469 1HE LYS 57 2HE LYS 57 -10.769 -15.545 -2.307 470 2HE LYS 57 3HE LYS 57 -9.183 -15.447 -3.097 471 1HZ LYS 57 1HZ LYS 57 -8.283 -14.549 -1.099 472 2HZ LYS 57 2HZ LYS 57 -9.749 -14.596 -0.348 473 3HZ LYS 57 3HZ LYS 57 -9.003 -15.998 -0.791 474 H GLY 58 H GLY 58 -11.470 -9.727 -5.949 475 1HA GLY 58 2HA GLY 58 -12.859 -7.504 -5.841 476 2HA GLY 58 3HA GLY 58 -12.376 -7.540 -4.156 477 H TYR 59 H TYR 59 -11.046 -5.806 -4.188 478 HA TYR 59 HA TYR 59 -9.089 -5.404 -6.333 479 1HB TYR 59 2HB TYR 59 -9.415 -3.863 -3.666 480 2HB TYR 59 3HB TYR 59 -8.228 -3.472 -4.833 481 HD1 TYR 59 1HD TYR 59 -8.950 -3.019 -7.256 482 HD2 TYR 59 2HD TYR 59 -11.756 -3.123 -3.995 483 HE1 TYR 59 1HE TYR 59 -10.771 -2.195 -8.776 484 HE2 TYR 59 2HE TYR 59 -13.541 -2.286 -5.484 485 HH TYR 59 HH TYR 59 -14.129 -1.778 -7.664 486 H GLU 60 H GLU 60 -6.864 -5.750 -6.279 487 HA GLU 60 HA GLU 60 -5.755 -6.733 -3.758 488 1HB GLU 60 2HB GLU 60 -5.741 -8.071 -6.461 489 2HB GLU 60 3HB GLU 60 -4.285 -8.089 -5.461 490 1HG GLU 60 2HG GLU 60 -5.499 -9.107 -3.595 491 2HG GLU 60 3HG GLU 60 -7.031 -9.004 -4.477 492 H TYR 61 H TYR 61 -3.897 -5.764 -3.340 493 HA TYR 61 HA TYR 61 -2.768 -3.821 -5.335 494 1HB TYR 61 2HB TYR 61 -2.493 -3.848 -2.340 495 2HB TYR 61 3HB TYR 61 -1.793 -2.662 -3.435 496 HD1 TYR 61 1HD TYR 61 -4.596 -3.321 -1.310 497 HD2 TYR 61 2HD TYR 61 -3.361 -1.128 -4.769 498 HE1 TYR 61 1HE TYR 61 -6.379 -1.734 -1.004 499 HE2 TYR 61 2HE TYR 61 -5.588 -0.028 -4.833 500 HH TYR 61 HH TYR 61 -8.126 -0.765 -2.475 501 H GLN 62 H GLN 62 -0.586 -4.139 -5.902 502 HA GLN 62 HA GLN 62 0.884 -6.289 -4.455 503 1HB GLN 62 2HB GLN 62 0.191 -6.942 -6.773 504 2HB GLN 62 3HB GLN 62 1.067 -5.520 -7.377 505 1HG GLN 62 2HG GLN 62 2.898 -6.939 -5.676 506 2HG GLN 62 3HG GLN 62 2.105 -8.157 -6.669 507 1HE2 GLN 62 2HE2 GLN 62 1.992 -7.561 -9.132 508 2HE2 GLN 62 1HE2 GLN 62 3.439 -6.797 -9.765 509 H LEU 63 H LEU 63 2.339 -5.293 -3.220 510 HA LEU 63 HA LEU 63 4.014 -3.257 -4.465 511 1HB LEU 63 2HB LEU 63 3.854 -1.778 -2.486 512 2HB LEU 63 3HB LEU 63 2.369 -1.920 -3.418 513 HG LEU 63 HG LEU 63 1.642 -3.694 -1.663 514 1HD1 LEU 63 1HD1 LEU 63 3.945 -3.714 -0.488 515 2HD1 LEU 63 2HD1 LEU 63 3.594 -2.060 0.038 516 3HD1 LEU 63 3HD1 LEU 63 2.574 -3.400 0.565 517 1HD2 LEU 63 1HD2 LEU 63 1.760 -0.723 -1.068 518 2HD2 LEU 63 2HD2 LEU 63 0.506 -1.606 -1.969 519 3HD2 LEU 63 3HD2 LEU 63 0.717 -1.900 -0.239 520 H TYR 64 H TYR 64 6.003 -2.911 -3.230 521 HA TYR 64 HA TYR 64 6.975 -5.551 -2.231 522 1HB TYR 64 2HB TYR 64 7.867 -3.556 -4.300 523 2HB TYR 64 3HB TYR 64 9.062 -4.526 -3.465 524 HD1 TYR 64 1HD TYR 64 8.372 -7.173 -3.402 525 HD2 TYR 64 2HD TYR 64 7.154 -4.318 -6.392 526 HE1 TYR 64 1HE TYR 64 8.136 -8.997 -5.052 527 HE2 TYR 64 2HE TYR 64 6.962 -6.145 -8.048 528 HH TYR 64 HH TYR 64 7.625 -9.560 -7.225 529 H VAL 65 H VAL 65 7.258 -5.273 -0.079 530 HA VAL 65 HA VAL 65 7.898 -2.589 0.912 531 HB VAL 65 HB VAL 65 6.048 -3.890 1.845 532 1HG1 VAL 65 1HG1 VAL 65 7.113 -6.109 2.075 533 2HG1 VAL 65 2HG1 VAL 65 8.183 -5.446 3.342 534 3HG1 VAL 65 3HG1 VAL 65 6.431 -5.512 3.593 535 1HG2 VAL 65 1HG2 VAL 65 8.177 -2.929 3.788 536 2HG2 VAL 65 2HG2 VAL 65 7.003 -1.911 2.924 537 3HG2 VAL 65 3HG2 VAL 65 6.433 -3.102 4.098 538 H TYR 66 H TYR 66 9.933 -1.969 1.490 539 HA TYR 66 HA TYR 66 12.040 -3.900 0.808 540 1HB TYR 66 2HB TYR 66 11.623 -1.480 -0.182 541 2HB TYR 66 3HB TYR 66 12.394 -0.917 1.251 542 HD1 TYR 66 1HD TYR 66 13.006 -3.715 -1.138 543 HD2 TYR 66 2HD TYR 66 14.686 -0.367 0.950 544 HE1 TYR 66 1HE TYR 66 15.255 -4.321 -2.014 545 HE2 TYR 66 2HE TYR 66 16.930 -0.950 0.078 546 HH TYR 66 HH TYR 66 18.150 -2.816 -0.761 547 H ALA 67 H ALA 67 11.726 -5.012 2.880 548 HA ALA 67 HA ALA 67 12.444 -3.348 5.230 549 1HB ALA 67 1HB ALA 67 10.151 -4.454 5.136 550 2HB ALA 67 2HB ALA 67 11.003 -5.984 5.443 551 3HB ALA 67 3HB ALA 67 11.113 -4.665 6.598 552 H SER 68 H SER 68 14.114 -3.954 6.620 553 HA SER 68 HA SER 68 16.147 -4.775 7.059 554 1HB SER 68 2HB SER 68 14.990 -6.718 7.822 555 2HB SER 68 3HB SER 68 14.999 -7.435 6.195 556 HG SER 68 HG SER 68 17.383 -7.191 6.453 557 H ASP 69 H ASP 69 15.592 -3.746 4.271 558 HA ASP 69 HA ASP 69 16.482 -3.629 2.202 559 1HB ASP 69 2HB ASP 69 18.488 -3.029 3.587 560 2HB ASP 69 3HB ASP 69 18.993 -4.722 3.544 561 H LYS 70 H LYS 70 14.986 -6.005 2.865 562 HA LYS 70 HA LYS 70 15.985 -7.760 0.674 563 1HB LYS 70 2HB LYS 70 14.334 -8.489 3.137 564 2HB LYS 70 3HB LYS 70 14.300 -9.408 1.641 565 1HG LYS 70 2HG LYS 70 15.730 -10.587 2.990 566 2HG LYS 70 3HG LYS 70 16.794 -9.777 1.832 567 1HD LYS 70 2HD LYS 70 17.566 -8.228 3.473 568 2HD LYS 70 3HD LYS 70 16.189 -8.555 4.545 569 1HE LYS 70 2HE LYS 70 17.037 -10.877 4.921 570 2HE LYS 70 3HE LYS 70 18.463 -10.491 3.936 571 1HZ LYS 70 1HZ LYS 70 18.999 -8.787 5.520 572 2HZ LYS 70 2HZ LYS 70 17.655 -9.123 6.413 573 3HZ LYS 70 3HZ LYS 70 18.857 -10.244 6.280 574 H LEU 71 H LEU 71 14.166 -8.440 -0.671 575 HA LEU 71 HA LEU 71 12.192 -6.244 -0.932 576 1HB LEU 71 2HB LEU 71 14.003 -7.376 -2.680 577 2HB LEU 71 3HB LEU 71 12.567 -8.291 -3.083 578 HG LEU 71 HG LEU 71 12.412 -5.265 -2.897 579 1HD1 LEU 71 1HD1 LEU 71 14.400 -5.652 -4.256 580 2HD1 LEU 71 2HD1 LEU 71 13.529 -6.854 -5.240 581 3HD1 LEU 71 3HD1 LEU 71 13.058 -5.139 -5.289 582 1HD2 LEU 71 1HD2 LEU 71 11.050 -7.362 -4.629 583 2HD2 LEU 71 2HD2 LEU 71 10.408 -6.555 -3.172 584 3HD2 LEU 71 3HD2 LEU 71 10.737 -5.614 -4.653 585 H PHE 72 H PHE 72 10.493 -6.811 0.504 586 HA PHE 72 HA PHE 72 9.593 -9.661 0.511 587 1HB PHE 72 2HB PHE 72 9.076 -7.283 2.281 588 2HB PHE 72 3HB PHE 72 8.201 -8.782 2.417 589 HD1 PHE 72 1HD PHE 72 10.989 -7.015 3.536 590 HD2 PHE 72 2HD PHE 72 9.634 -10.994 2.732 591 HE1 PHE 72 1HE PHE 72 12.697 -7.910 5.176 592 HE2 PHE 72 2HE PHE 72 11.326 -11.898 4.313 593 HZ PHE 72 HZ PHE 72 12.863 -10.360 5.513 594 H ARG 73 H ARG 73 8.036 -10.167 -0.934 595 HA ARG 73 HA ARG 73 6.564 -8.133 -2.362 596 1HB ARG 73 2HB ARG 73 7.265 -10.356 -3.313 597 2HB ARG 73 3HB ARG 73 6.090 -11.137 -2.244 598 1HG ARG 73 2HG ARG 73 4.257 -9.862 -3.314 599 2HG ARG 73 3HG ARG 73 5.424 -8.995 -4.328 600 1HD ARG 73 2HD ARG 73 6.135 -11.088 -5.387 601 2HD ARG 73 3HD ARG 73 5.072 -12.030 -4.314 602 HE ARG 73 HE ARG 73 3.425 -10.184 -5.610 603 1HH1 ARG 73 1HH2 ARG 73 5.499 -12.911 -6.478 604 2HH1 ARG 73 2HH2 ARG 73 4.540 -13.395 -7.849 605 1HH2 ARG 73 1HH1 ARG 73 2.134 -10.832 -7.385 606 2HH2 ARG 73 2HH1 ARG 73 2.600 -12.184 -8.380 607 H ALA 74 H ALA 74 4.688 -7.160 -1.581 608 HA ALA 74 HA ALA 74 3.299 -8.520 0.633 609 1HB ALA 74 1HB ALA 74 4.945 -7.255 1.767 610 2HB ALA 74 2HB ALA 74 4.712 -5.844 0.706 611 3HB ALA 74 3HB ALA 74 3.473 -6.283 1.883 612 H ASP 75 H ASP 75 1.325 -8.836 -0.086 613 HA ASP 75 HA ASP 75 0.192 -6.801 -1.935 614 1HB ASP 75 2HB ASP 75 -0.422 -9.764 -1.518 615 2HB ASP 75 3HB ASP 75 -1.314 -8.700 -2.609 616 H ILE 76 H ILE 76 -2.332 -6.961 -1.730 617 HA ILE 76 HA ILE 76 -3.348 -7.478 0.997 618 HB ILE 76 HB ILE 76 -3.707 -4.932 -0.543 619 1HG1 ILE 76 2HG1 ILE 76 -2.973 -4.112 2.017 620 2HG1 ILE 76 3HG1 ILE 76 -1.977 -5.500 1.756 621 1HG2 ILE 76 1HG2 ILE 76 -5.859 -5.371 0.487 622 2HG2 ILE 76 2HG2 ILE 76 -5.079 -5.676 2.062 623 3HG2 ILE 76 3HG2 ILE 76 -5.100 -4.055 1.348 624 1HD1 ILE 76 1HD1 ILE 76 -1.127 -4.517 -0.386 625 2HD1 ILE 76 2HD1 ILE 76 -2.311 -3.204 -0.231 626 3HD1 ILE 76 3HD1 ILE 76 -0.983 -3.305 0.899 627 H SER 77 H SER 77 -5.733 -7.710 0.784 628 HA SER 77 HA SER 77 -6.780 -7.668 -1.935 629 1HB SER 77 2HB SER 77 -6.307 -10.063 -1.551 630 2HB SER 77 3HB SER 77 -7.116 -9.960 0.018 631 HG SER 77 HG SER 77 -8.413 -9.480 -2.466 632 H GLU 78 H GLU 78 -9.048 -7.062 -1.986 633 HA GLU 78 HA GLU 78 -10.215 -6.283 0.610 634 1HB GLU 78 2HB GLU 78 -10.432 -4.852 -2.073 635 2HB GLU 78 3HB GLU 78 -11.201 -4.353 -0.577 636 1HG GLU 78 2HG GLU 78 -8.836 -4.290 0.454 637 2HG GLU 78 3HG GLU 78 -8.229 -4.364 -1.207 638 H ASP 79 H ASP 79 -12.494 -6.247 0.581 639 HA ASP 79 HA ASP 79 -13.574 -8.632 -0.780 640 1HB ASP 79 2HB ASP 79 -13.880 -8.406 1.625 641 2HB ASP 79 3HB ASP 79 -14.757 -6.884 1.405 642 H TYR 80 H TYR 80 -14.202 -8.219 -2.838 643 HA TYR 80 HA TYR 80 -15.260 -6.272 -4.253 644 1HB TYR 80 2HB TYR 80 -15.016 -8.422 -5.188 645 2HB TYR 80 3HB TYR 80 -16.164 -9.148 -4.066 646 HD1 TYR 80 1HD TYR 80 -18.118 -9.881 -5.123 647 HD2 TYR 80 2HD TYR 80 -16.293 -6.197 -6.440 648 HE1 TYR 80 1HE TYR 80 -20.063 -9.429 -6.587 649 HE2 TYR 80 2HE TYR 80 -18.259 -5.729 -7.852 650 HH TYR 80 HH TYR 80 -20.352 -6.436 -8.513 651 H LYS 81 H LYS 81 -17.564 -8.235 -2.268 652 HA LYS 81 HA LYS 81 -19.960 -7.041 -2.643 653 1HB LYS 81 2HB LYS 81 -19.751 -8.852 -1.173 654 2HB LYS 81 3HB LYS 81 -18.555 -8.055 -0.160 655 1HG LYS 81 2HG LYS 81 -21.306 -6.834 -0.247 656 2HG LYS 81 3HG LYS 81 -21.097 -8.375 0.595 657 1HD LYS 81 2HD LYS 81 -19.333 -7.496 2.015 658 2HD LYS 81 3HD LYS 81 -19.351 -5.959 1.161 659 1HE LYS 81 2HE LYS 81 -21.779 -5.664 1.861 660 2HE LYS 81 3HE LYS 81 -21.576 -7.095 2.896 661 1HZ LYS 81 1HZ LYS 81 -19.779 -5.895 3.991 662 2HZ LYS 81 2HZ LYS 81 -20.069 -4.577 3.038 663 3HZ LYS 81 3HZ LYS 81 -21.214 -5.093 4.104 664 H THR 82 H THR 82 -17.324 -5.645 -0.904 665 HA THR 82 HA THR 82 -18.432 -2.954 -1.238 666 HB THR 82 HB THR 82 -17.913 -4.124 1.522 667 HG1 THR 82 1HG THR 82 -20.075 -3.792 0.042 668 1HG2 THR 82 1HG2 THR 82 -16.952 -1.987 1.731 669 2HG2 THR 82 2HG2 THR 82 -18.121 -1.274 0.582 670 3HG2 THR 82 3HG2 THR 82 -18.635 -1.776 2.224 671 H ARG 83 H ARG 83 -15.851 -3.732 1.056 672 HA ARG 83 HA ARG 83 -13.567 -3.198 -0.492 673 1HB ARG 83 2HB ARG 83 -15.160 -0.832 -0.066 674 2HB ARG 83 3HB ARG 83 -13.679 -0.676 0.861 675 1HG ARG 83 2HG ARG 83 -12.340 -1.246 -1.158 676 2HG ARG 83 3HG ARG 83 -13.843 -1.272 -2.099 677 1HD ARG 83 2HD ARG 83 -14.244 1.140 -1.268 678 2HD ARG 83 3HD ARG 83 -12.637 1.071 -0.554 679 HE ARG 83 HE ARG 83 -11.679 1.375 -2.601 680 1HH1 ARG 83 1HH2 ARG 83 -15.011 0.332 -3.094 681 2HH1 ARG 83 2HH2 ARG 83 -15.068 0.783 -4.776 682 1HH2 ARG 83 1HH1 ARG 83 -11.697 1.910 -4.817 683 2HH2 ARG 83 2HH1 ARG 83 -13.123 1.656 -5.786 684 H GLY 84 H GLY 84 -14.022 -5.056 1.267 685 1HA GLY 84 2HA GLY 84 -13.252 -4.446 3.995 686 2HA GLY 84 3HA GLY 84 -13.160 -6.032 3.203 687 H ARG 85 H ARG 85 -11.021 -5.648 4.759 688 HA ARG 85 HA ARG 85 -8.898 -5.306 2.754 689 1HB ARG 85 2HB ARG 85 -9.419 -3.294 4.691 690 2HB ARG 85 3HB ARG 85 -8.090 -4.221 5.388 691 1HG ARG 85 2HG ARG 85 -6.679 -3.796 3.499 692 2HG ARG 85 3HG ARG 85 -8.045 -3.230 2.511 693 1HD ARG 85 2HD ARG 85 -6.654 -1.344 3.315 694 2HD ARG 85 3HD ARG 85 -8.356 -1.278 3.816 695 HE ARG 85 HE ARG 85 -6.577 -2.537 5.770 696 1HH1 ARG 85 1HH2 ARG 85 -7.770 0.585 4.611 697 2HH1 ARG 85 2HH2 ARG 85 -7.790 1.328 6.186 698 1HH2 ARG 85 1HH1 ARG 85 -6.541 -1.561 7.820 699 2HH2 ARG 85 2HH1 ARG 85 -6.991 0.110 8.039 700 H LYS 86 H LYS 86 -7.814 -7.166 2.770 701 HA LYS 86 HA LYS 86 -7.487 -8.585 5.350 702 1HB LYS 86 2HB LYS 86 -7.882 -9.641 2.554 703 2HB LYS 86 3HB LYS 86 -7.022 -10.610 3.753 704 1HG LYS 86 2HG LYS 86 -9.800 -9.483 4.303 705 2HG LYS 86 3HG LYS 86 -9.521 -11.009 3.467 706 1HD LYS 86 2HD LYS 86 -9.930 -11.612 5.667 707 2HD LYS 86 3HD LYS 86 -8.199 -11.849 5.446 708 1HE LYS 86 2HE LYS 86 -7.666 -10.008 6.889 709 2HE LYS 86 3HE LYS 86 -9.281 -9.286 6.709 710 1HZ LYS 86 1HZ LYS 86 -10.131 -11.171 7.937 711 2HZ LYS 86 2HZ LYS 86 -8.606 -11.770 8.120 712 3HZ LYS 86 3HZ LYS 86 -9.014 -10.327 8.802 713 H LEU 87 H LEU 87 -5.591 -8.971 6.062 714 HA LEU 87 HA LEU 87 -3.256 -7.747 4.944 715 1HB LEU 87 2HB LEU 87 -3.852 -8.130 7.353 716 2HB LEU 87 3HB LEU 87 -3.559 -9.857 7.154 717 HG LEU 87 HG LEU 87 -1.494 -7.697 6.599 718 1HD1 LEU 87 1HD1 LEU 87 -2.238 -7.465 8.872 719 2HD1 LEU 87 2HD1 LEU 87 -1.975 -9.195 9.189 720 3HD1 LEU 87 3HD1 LEU 87 -0.597 -8.123 8.848 721 1HD2 LEU 87 1HD2 LEU 87 -1.205 -10.686 7.246 722 2HD2 LEU 87 2HD2 LEU 87 -0.900 -9.967 5.656 723 3HD2 LEU 87 3HD2 LEU 87 0.142 -9.555 7.010 724 H LEU 88 H LEU 88 -2.826 -8.561 2.920 725 HA LEU 88 HA LEU 88 -2.057 -11.435 2.750 726 1HB LEU 88 2HB LEU 88 -3.809 -9.973 1.081 727 2HB LEU 88 3HB LEU 88 -2.299 -9.998 0.184 728 HG LEU 88 HG LEU 88 -3.673 -11.847 -0.470 729 1HD1 LEU 88 1HD1 LEU 88 -1.238 -12.307 -0.351 730 2HD1 LEU 88 2HD1 LEU 88 -1.445 -12.995 1.273 731 3HD1 LEU 88 3HD1 LEU 88 -2.224 -13.759 -0.118 732 1HD2 LEU 88 1HD2 LEU 88 -3.745 -12.807 2.426 733 2HD2 LEU 88 2HD2 LEU 88 -5.065 -11.975 1.583 734 3HD2 LEU 88 3HD2 LEU 88 -4.509 -13.562 1.021 735 H ARG 89 H ARG 89 -0.709 -8.732 3.619 736 HA ARG 89 HA ARG 89 1.543 -8.595 1.904 737 1HB ARG 89 2HB ARG 89 2.557 -7.738 4.298 738 2HB ARG 89 3HB ARG 89 1.854 -6.722 3.097 739 1HG ARG 89 2HG ARG 89 0.270 -7.988 5.250 740 2HG ARG 89 3HG ARG 89 1.182 -6.501 5.509 741 1HD ARG 89 2HD ARG 89 -0.967 -6.688 3.336 742 2HD ARG 89 3HD ARG 89 -1.304 -6.145 4.971 743 HE ARG 89 HE ARG 89 -0.295 -4.164 4.658 744 1HH1 ARG 89 1HH2 ARG 89 0.234 -6.091 1.723 745 2HH1 ARG 89 2HH2 ARG 89 1.151 -4.861 0.909 746 1HH2 ARG 89 1HH1 ARG 89 0.629 -2.455 3.520 747 2HH2 ARG 89 2HH1 ARG 89 1.305 -2.721 1.939 748 H PHE 90 H PHE 90 3.327 -9.509 2.097 749 HA PHE 90 HA PHE 90 5.393 -9.987 3.214 750 1HB PHE 90 2HB PHE 90 3.574 -10.108 5.440 751 2HB PHE 90 3HB PHE 90 4.528 -11.560 5.440 752 HD1 PHE 90 1HD PHE 90 4.371 -7.959 5.971 753 HD2 PHE 90 2HD PHE 90 7.003 -11.377 5.802 754 HE1 PHE 90 1HE PHE 90 5.929 -6.830 7.519 755 HE2 PHE 90 2HE PHE 90 8.613 -10.195 7.273 756 HZ PHE 90 HZ PHE 90 8.062 -7.948 8.149 757 H ASN 91 H ASN 91 5.452 -11.134 1.257 758 HA ASN 91 HA ASN 91 5.309 -14.068 1.551 759 1HB ASN 91 2HB ASN 91 3.193 -12.927 0.488 760 2HB ASN 91 3HB ASN 91 4.243 -12.683 -0.914 761 1HD2 ASN 91 2HD2 ASN 91 4.953 -14.629 -2.107 762 2HD2 ASN 91 1HD2 ASN 91 4.164 -16.168 -1.791 763 H GLY 92 H GLY 92 6.407 -15.078 -0.408 764 1HA GLY 92 2HA GLY 92 8.139 -15.009 -2.042 765 2HA GLY 92 3HA GLY 92 8.708 -13.466 -1.420 766 HA PRO 93 HA PRO 93 10.075 -12.574 0.222 767 1HB PRO 93 2HB PRO 93 12.742 -12.500 0.754 768 2HB PRO 93 3HB PRO 93 11.528 -12.811 2.026 769 1HG PRO 93 2HG PRO 93 13.110 -14.885 0.477 770 2HG PRO 93 3HG PRO 93 12.970 -14.731 2.255 771 1HD PRO 93 2HD PRO 93 11.368 -16.422 0.853 772 2HD PRO 93 3HD PRO 93 10.701 -15.478 2.213 773 H VAL 94 H VAL 94 11.582 -11.233 -1.232 774 HA VAL 94 HA VAL 94 12.276 -12.731 -3.704 775 HB VAL 94 HB VAL 94 11.031 -9.982 -3.350 776 1HG1 VAL 94 1HG1 VAL 94 12.660 -9.729 -5.093 777 2HG1 VAL 94 2HG1 VAL 94 12.111 -11.224 -5.889 778 3HG1 VAL 94 3HG1 VAL 94 11.049 -9.803 -5.790 779 1HG2 VAL 94 1HG2 VAL 94 10.088 -12.537 -4.671 780 2HG2 VAL 94 2HG2 VAL 94 9.435 -11.788 -3.195 781 3HG2 VAL 94 3HG2 VAL 94 9.261 -10.971 -4.753 782 HA PRO 95 HA PRO 95 16.305 -10.986 -2.654 783 1HB PRO 95 2HB PRO 95 17.757 -11.799 -4.829 784 2HB PRO 95 3HB PRO 95 17.200 -12.939 -3.568 785 1HG PRO 95 2HG PRO 95 15.877 -12.322 -6.225 786 2HG PRO 95 3HG PRO 95 16.268 -13.933 -5.551 787 1HD PRO 95 2HD PRO 95 13.799 -12.820 -5.324 788 2HD PRO 95 3HD PRO 95 14.485 -13.796 -3.989 789 HA PRO 96 HA PRO 96 16.118 -7.164 -4.876 790 1HB PRO 96 2HB PRO 96 18.734 -6.279 -4.983 791 2HB PRO 96 3HB PRO 96 17.761 -6.317 -3.482 792 1HG PRO 96 2HG PRO 96 19.706 -8.423 -4.477 793 2HG PRO 96 3HG PRO 96 19.662 -7.661 -2.857 794 1HD PRO 96 2HD PRO 96 18.505 -10.064 -3.292 795 2HD PRO 96 3HD PRO 96 17.666 -8.852 -2.279 796 HA PRO 97 HA PRO 97 16.948 -8.176 -9.133 797 1HB PRO 97 2HB PRO 97 16.670 -5.796 -10.405 798 2HB PRO 97 3HB PRO 97 15.309 -6.545 -9.520 799 1HG PRO 97 2HG PRO 97 17.226 -4.431 -8.474 800 2HG PRO 97 3HG PRO 97 15.438 -4.365 -8.482 801 1HD PRO 97 2HD PRO 97 16.822 -5.214 -6.296 802 2HD PRO 97 3HD PRO 97 15.286 -5.999 -6.776 Start of MODEL 19 1 1H MET 1 1H MET 1 -12.932 -7.036 -19.812 2 2H MET 1 2H MET 1 -13.766 -6.485 -18.510 3 3H MET 1 3H MET 1 -13.721 -5.583 -19.898 4 HA MET 1 HA MET 1 -11.346 -5.309 -19.635 5 1HB MET 1 2HB MET 1 -13.232 -4.394 -17.436 6 2HB MET 1 3HB MET 1 -11.517 -3.964 -17.393 7 1HG MET 1 2HG MET 1 -11.626 -2.921 -19.558 8 2HG MET 1 3HG MET 1 -13.344 -3.315 -19.734 9 1HE MET 1 1HE MET 1 -11.204 -0.487 -19.404 10 2HE MET 1 2HE MET 1 -12.715 -0.497 -20.352 11 3HE MET 1 3HE MET 1 -12.498 0.666 -19.019 12 H GLY 2 H GLY 2 -9.462 -5.583 -18.353 13 1HA GLY 2 2HA GLY 2 -9.301 -6.907 -15.890 14 2HA GLY 2 3HA GLY 2 -9.202 -8.154 -17.157 15 H GLU 3 H GLU 3 -7.507 -5.557 -15.540 16 HA GLU 3 HA GLU 3 -5.006 -6.390 -16.612 17 1HB GLU 3 2HB GLU 3 -6.227 -4.448 -18.208 18 2HB GLU 3 3HB GLU 3 -5.299 -3.451 -17.085 19 1HG GLU 3 2HG GLU 3 -3.247 -4.815 -17.694 20 2HG GLU 3 3HG GLU 3 -4.248 -5.728 -18.833 21 H TRP 4 H TRP 4 -3.400 -4.422 -15.689 22 HA TRP 4 HA TRP 4 -4.169 -4.140 -12.829 23 1HB TRP 4 2HB TRP 4 -1.402 -3.919 -14.086 24 2HB TRP 4 3HB TRP 4 -1.848 -3.832 -12.404 25 HD1 TRP 4 HD TRP 4 -2.231 -6.536 -15.176 26 HE1 TRP 4 1HE TRP 4 -1.599 -8.792 -14.189 27 HE3 TRP 4 3HE TRP 4 -1.158 -5.033 -10.431 28 HZ2 TRP 4 2HZ TRP 4 -0.684 -9.838 -11.635 29 HZ3 TRP 4 3HZ TRP 4 -0.371 -6.672 -8.732 30 HH2 TRP 4 HH TRP 4 -0.147 -9.078 -9.324 31 H GLU 5 H GLU 5 -3.493 -2.068 -11.831 32 HA GLU 5 HA GLU 5 -3.327 0.233 -13.690 33 1HB GLU 5 2HB GLU 5 -5.394 -0.313 -11.559 34 2HB GLU 5 3HB GLU 5 -4.912 1.337 -11.824 35 1HG GLU 5 2HG GLU 5 -5.872 -0.405 -14.128 36 2HG GLU 5 3HG GLU 5 -6.969 0.546 -13.117 37 H ILE 6 H ILE 6 -2.811 2.163 -12.557 38 HA ILE 6 HA ILE 6 -0.418 1.762 -11.026 39 HB ILE 6 HB ILE 6 -0.336 4.226 -10.844 40 1HG1 ILE 6 2HG1 ILE 6 -2.751 4.373 -12.687 41 2HG1 ILE 6 3HG1 ILE 6 -2.917 4.520 -10.933 42 1HG2 ILE 6 1HG2 ILE 6 0.680 3.005 -12.731 43 2HG2 ILE 6 2HG2 ILE 6 -0.822 3.171 -13.663 44 3HG2 ILE 6 3HG2 ILE 6 0.126 4.604 -13.228 45 1HD1 ILE 6 1HD1 ILE 6 -1.360 6.420 -10.891 46 2HD1 ILE 6 2HD1 ILE 6 -1.205 6.345 -12.661 47 3HD1 ILE 6 3HD1 ILE 6 -2.770 6.725 -11.922 48 H ILE 7 H ILE 7 0.021 2.196 -8.973 49 HA ILE 7 HA ILE 7 -2.000 2.009 -6.916 50 HB ILE 7 HB ILE 7 0.126 1.038 -6.506 51 1HG1 ILE 7 2HG1 ILE 7 0.650 3.433 -4.810 52 2HG1 ILE 7 3HG1 ILE 7 -0.981 2.785 -4.696 53 1HG2 ILE 7 1HG2 ILE 7 1.551 2.269 -8.043 54 2HG2 ILE 7 2HG2 ILE 7 1.341 3.752 -7.126 55 3HG2 ILE 7 3HG2 ILE 7 2.211 2.379 -6.422 56 1HD1 ILE 7 1HD1 ILE 7 0.107 0.480 -4.287 57 2HD1 ILE 7 2HD1 ILE 7 1.589 1.417 -3.966 58 3HD1 ILE 7 3HD1 ILE 7 0.145 1.686 -2.998 59 H ASP 8 H ASP 8 -2.957 3.729 -5.753 60 HA ASP 8 HA ASP 8 -2.493 6.430 -6.871 61 1HB ASP 8 2HB ASP 8 -4.823 5.328 -6.590 62 2HB ASP 8 3HB ASP 8 -4.624 5.699 -4.866 63 H ILE 9 H ILE 9 -2.496 8.220 -5.298 64 HA ILE 9 HA ILE 9 -0.499 7.704 -3.169 65 HB ILE 9 HB ILE 9 -1.434 10.281 -4.463 66 1HG1 ILE 9 2HG1 ILE 9 -0.356 8.893 -6.167 67 2HG1 ILE 9 3HG1 ILE 9 0.691 10.231 -5.728 68 1HG2 ILE 9 1HG2 ILE 9 -0.462 10.939 -2.421 69 2HG2 ILE 9 2HG2 ILE 9 0.853 9.744 -2.548 70 3HG2 ILE 9 3HG2 ILE 9 0.802 11.158 -3.620 71 1HD1 ILE 9 1HD1 ILE 9 2.009 8.689 -4.241 72 2HD1 ILE 9 2HD1 ILE 9 0.987 7.340 -4.788 73 3HD1 ILE 9 3HD1 ILE 9 2.004 8.205 -5.944 74 H GLY 10 H GLY 10 -0.740 9.126 -1.200 75 1HA GLY 10 2HA GLY 10 -1.883 9.908 0.614 76 2HA GLY 10 3HA GLY 10 -3.242 10.239 -0.454 77 HA PRO 11 HA PRO 11 -4.863 6.945 2.236 78 1HB PRO 11 2HB PRO 11 -7.507 7.057 1.637 79 2HB PRO 11 3HB PRO 11 -6.669 8.405 2.449 80 1HG PRO 11 2HG PRO 11 -7.212 8.125 -0.524 81 2HG PRO 11 3HG PRO 11 -7.631 9.508 0.531 82 1HD PRO 11 2HD PRO 11 -5.351 9.467 -0.955 83 2HD PRO 11 3HD PRO 11 -5.360 10.179 0.687 84 H PHE 12 H PHE 12 -3.382 5.821 0.441 85 HA PHE 12 HA PHE 12 -4.735 3.420 -0.379 86 1HB PHE 12 2HB PHE 12 -5.255 5.033 -2.196 87 2HB PHE 12 3HB PHE 12 -3.564 5.241 -2.522 88 HD1 PHE 12 1HD PHE 12 -6.299 3.995 -3.960 89 HD2 PHE 12 2HD PHE 12 -2.497 2.405 -2.631 90 HE1 PHE 12 1HE PHE 12 -6.135 2.618 -6.000 91 HE2 PHE 12 2HE PHE 12 -2.486 0.876 -4.540 92 HZ PHE 12 HZ PHE 12 -4.162 1.139 -6.346 93 H THR 13 H THR 13 -1.722 4.976 -1.715 94 HA THR 13 HA THR 13 -0.156 2.746 -1.005 95 HB THR 13 HB THR 13 0.391 4.458 -2.747 96 HG1 THR 13 1HG THR 13 1.956 3.001 -2.009 97 1HG2 THR 13 1HG2 THR 13 0.024 6.519 -1.302 98 2HG2 THR 13 2HG2 THR 13 1.572 6.142 -0.509 99 3HG2 THR 13 3HG2 THR 13 1.532 6.486 -2.240 100 H GLN 14 H GLN 14 -0.652 5.849 0.670 101 HA GLN 14 HA GLN 14 1.151 5.188 2.821 102 1HB GLN 14 2HB GLN 14 -0.287 7.483 2.006 103 2HB GLN 14 3HB GLN 14 -0.929 7.080 3.600 104 1HG GLN 14 2HG GLN 14 1.355 7.024 4.532 105 2HG GLN 14 3HG GLN 14 2.034 7.401 2.940 106 1HE2 GLN 14 2HE2 GLN 14 1.764 9.564 2.070 107 2HE2 GLN 14 1HE2 GLN 14 1.259 10.872 3.125 108 H ASN 15 H ASN 15 -2.335 4.889 2.333 109 HA ASN 15 HA ASN 15 -3.072 4.013 4.894 110 1HB ASN 15 2HB ASN 15 -4.574 4.495 2.852 111 2HB ASN 15 3HB ASN 15 -4.311 2.820 2.380 112 1HD2 ASN 15 2HD2 ASN 15 -5.635 4.971 4.894 113 2HD2 ASN 15 1HD2 ASN 15 -6.661 3.764 5.636 114 H LEU 16 H LEU 16 -2.205 1.925 2.103 115 HA LEU 16 HA LEU 16 -2.098 -0.534 3.577 116 1HB LEU 16 2HB LEU 16 -0.710 0.264 0.994 117 2HB LEU 16 3HB LEU 16 -0.929 -1.379 1.614 118 HG LEU 16 HG LEU 16 -3.147 0.500 0.660 119 1HD1 LEU 16 1HD1 LEU 16 -1.718 -0.617 -1.047 120 2HD1 LEU 16 2HD1 LEU 16 -2.206 -2.183 -0.352 121 3HD1 LEU 16 3HD1 LEU 16 -3.422 -1.086 -1.063 122 1HD2 LEU 16 1HD2 LEU 16 -3.359 -2.215 1.981 123 2HD2 LEU 16 2HD2 LEU 16 -4.088 -0.688 2.525 124 3HD2 LEU 16 3HD2 LEU 16 -4.651 -1.447 1.033 125 H ALA 17 H ALA 17 0.500 1.891 2.809 126 HA ALA 17 HA ALA 17 2.604 0.279 3.890 127 1HB ALA 17 1HB ALA 17 2.933 2.318 2.507 128 2HB ALA 17 2HB ALA 17 2.256 3.318 3.809 129 3HB ALA 17 3HB ALA 17 3.789 2.456 4.061 130 H LYS 18 H LYS 18 0.485 2.732 5.464 131 HA LYS 18 HA LYS 18 1.588 2.407 8.065 132 1HB LYS 18 2HB LYS 18 -0.768 3.728 6.888 133 2HB LYS 18 3HB LYS 18 -1.229 2.891 8.353 134 1HG LYS 18 2HG LYS 18 1.042 4.909 8.149 135 2HG LYS 18 3HG LYS 18 -0.592 5.207 8.759 136 1HD LYS 18 2HD LYS 18 -0.132 3.245 10.423 137 2HD LYS 18 3HD LYS 18 1.569 3.433 9.985 138 1HE LYS 18 2HE LYS 18 1.266 4.728 11.949 139 2HE LYS 18 3HE LYS 18 1.366 5.898 10.622 140 1HZ LYS 18 1HZ LYS 18 -1.040 6.002 10.660 141 2HZ LYS 18 2HZ LYS 18 -1.100 4.906 11.888 142 3HZ LYS 18 3HZ LYS 18 -0.416 6.382 12.136 143 H PHE 19 H PHE 19 -1.232 0.832 6.494 144 HA PHE 19 HA PHE 19 -1.976 -0.941 8.478 145 1HB PHE 19 2HB PHE 19 -2.972 -0.580 6.161 146 2HB PHE 19 3HB PHE 19 -1.759 -1.685 5.545 147 HD1 PHE 19 1HD PHE 19 -1.747 -4.110 6.327 148 HD2 PHE 19 2HD PHE 19 -4.955 -1.374 7.250 149 HE1 PHE 19 1HE PHE 19 -3.332 -6.008 6.470 150 HE2 PHE 19 2HE PHE 19 -6.516 -3.287 7.451 151 HZ PHE 19 HZ PHE 19 -5.738 -5.583 6.922 152 H ALA 20 H ALA 20 0.636 -1.413 6.042 153 HA ALA 20 HA ALA 20 1.550 -3.909 6.756 154 1HB ALA 20 1HB ALA 20 2.478 -2.248 4.955 155 2HB ALA 20 2HB ALA 20 3.587 -1.734 6.232 156 3HB ALA 20 3HB ALA 20 3.564 -3.414 5.727 157 H VAL 21 H VAL 21 2.706 -0.809 8.223 158 HA VAL 21 HA VAL 21 4.326 -2.330 10.107 159 HB VAL 21 HB VAL 21 3.747 0.656 9.988 160 1HG1 VAL 21 1HG1 VAL 21 4.748 -0.156 12.152 161 2HG1 VAL 21 2HG1 VAL 21 5.995 -1.035 11.245 162 3HG1 VAL 21 3HG1 VAL 21 5.963 0.731 11.232 163 1HG2 VAL 21 1HG2 VAL 21 5.759 -1.085 8.552 164 2HG2 VAL 21 2HG2 VAL 21 4.667 0.121 7.866 165 3HG2 VAL 21 3HG2 VAL 21 6.053 0.641 8.826 166 H ASP 22 H ASP 22 1.599 -0.059 10.433 167 HA ASP 22 HA ASP 22 1.156 -0.215 13.204 168 1HB ASP 22 2HB ASP 22 0.078 1.494 11.879 169 2HB ASP 22 3HB ASP 22 -0.795 0.289 10.913 170 H GLU 23 H GLU 23 -0.630 -1.920 10.564 171 HA GLU 23 HA GLU 23 -2.131 -3.433 12.423 172 1HB GLU 23 2HB GLU 23 -2.448 -2.937 9.853 173 2HB GLU 23 3HB GLU 23 -1.638 -4.495 9.619 174 1HG GLU 23 2HG GLU 23 -3.963 -4.250 11.526 175 2HG GLU 23 3HG GLU 23 -4.236 -4.181 9.779 176 H GLU 24 H GLU 24 0.792 -4.387 10.526 177 HA GLU 24 HA GLU 24 0.891 -6.998 11.545 178 1HB GLU 24 2HB GLU 24 2.335 -6.209 9.643 179 2HB GLU 24 3HB GLU 24 3.330 -5.320 10.809 180 1HG GLU 24 2HG GLU 24 4.352 -7.446 10.225 181 2HG GLU 24 3HG GLU 24 3.884 -7.466 11.931 182 H ASN 25 H ASN 25 2.185 -3.962 13.033 183 HA ASN 25 HA ASN 25 3.314 -5.286 15.324 184 1HB ASN 25 2HB ASN 25 2.651 -2.475 14.538 185 2HB ASN 25 3HB ASN 25 2.509 -2.815 16.244 186 1HD2 ASN 25 2HD2 ASN 25 4.791 -3.252 13.513 187 2HD2 ASN 25 1HD2 ASN 25 6.236 -3.137 14.523 188 H LYS 26 H LYS 26 0.112 -3.751 14.770 189 HA LYS 26 HA LYS 26 -0.851 -3.964 17.383 190 1HB LYS 26 2HB LYS 26 -1.765 -2.551 15.629 191 2HB LYS 26 3HB LYS 26 -2.321 -3.946 14.709 192 1HG LYS 26 2HG LYS 26 -3.322 -3.342 17.526 193 2HG LYS 26 3HG LYS 26 -4.008 -2.596 16.075 194 1HD LYS 26 2HD LYS 26 -4.391 -4.930 15.138 195 2HD LYS 26 3HD LYS 26 -4.008 -5.560 16.754 196 1HE LYS 26 2HE LYS 26 -5.819 -4.162 17.728 197 2HE LYS 26 3HE LYS 26 -6.240 -3.594 16.098 198 1HZ LYS 26 1HZ LYS 26 -6.699 -5.860 15.500 199 2HZ LYS 26 2HZ LYS 26 -6.319 -6.381 17.016 200 3HZ LYS 26 3HZ LYS 26 -7.621 -5.398 16.786 201 H ILE 27 H ILE 27 -1.297 -6.212 14.621 202 HA ILE 27 HA ILE 27 -2.645 -8.193 16.328 203 HB ILE 27 HB ILE 27 -1.569 -8.368 13.495 204 1HG1 ILE 27 2HG1 ILE 27 -3.438 -6.769 13.687 205 2HG1 ILE 27 3HG1 ILE 27 -3.861 -8.202 12.753 206 1HG2 ILE 27 1HG2 ILE 27 -1.639 -10.573 14.461 207 2HG2 ILE 27 2HG2 ILE 27 -3.271 -10.329 15.090 208 3HG2 ILE 27 3HG2 ILE 27 -2.998 -10.408 13.331 209 1HD1 ILE 27 1HD1 ILE 27 -5.142 -9.122 14.637 210 2HD1 ILE 27 2HD1 ILE 27 -4.706 -7.720 15.640 211 3HD1 ILE 27 3HD1 ILE 27 -5.702 -7.508 14.194 212 H GLY 28 H GLY 28 0.669 -7.698 15.011 213 1HA GLY 28 2HA GLY 28 2.658 -8.588 15.682 214 2HA GLY 28 3HA GLY 28 1.860 -9.134 17.162 215 H GLN 29 H GLN 29 1.071 -10.020 13.763 216 HA GLN 29 HA GLN 29 0.950 -12.806 14.597 217 1HB GLN 29 2HB GLN 29 -0.487 -11.527 12.754 218 2HB GLN 29 3HB GLN 29 0.839 -11.939 11.687 219 1HG GLN 29 2HG GLN 29 -0.884 -13.662 11.544 220 2HG GLN 29 3HG GLN 29 0.574 -14.352 12.272 221 1HE2 GLN 29 2HE2 GLN 29 -2.087 -12.353 13.667 222 2HE2 GLN 29 1HE2 GLN 29 -2.466 -13.490 14.946 223 H TYR 30 H TYR 30 2.906 -10.958 12.323 224 HA TYR 30 HA TYR 30 5.051 -13.054 12.266 225 1HB TYR 30 2HB TYR 30 4.439 -12.758 10.065 226 2HB TYR 30 3HB TYR 30 3.924 -11.103 10.282 227 HD1 TYR 30 1HD TYR 30 5.144 -9.526 9.029 228 HD2 TYR 30 2HD TYR 30 7.176 -12.959 10.718 229 HE1 TYR 30 1HE TYR 30 7.229 -8.857 7.909 230 HE2 TYR 30 2HE TYR 30 9.287 -12.219 9.649 231 HH TYR 30 HH TYR 30 9.390 -9.476 7.379 232 H GLY 31 H GLY 31 4.942 -9.544 11.720 233 1HA GLY 31 2HA GLY 31 5.588 -8.051 13.683 234 2HA GLY 31 3HA GLY 31 6.975 -9.126 13.902 235 H ARG 32 H ARG 32 5.973 -6.288 12.367 236 HA ARG 32 HA ARG 32 7.385 -6.636 9.912 237 1HB ARG 32 2HB ARG 32 5.497 -4.984 10.504 238 2HB ARG 32 3HB ARG 32 6.756 -3.920 11.127 239 1HG ARG 32 2HG ARG 32 7.063 -5.099 8.342 240 2HG ARG 32 3HG ARG 32 5.783 -3.919 8.612 241 1HD ARG 32 2HD ARG 32 7.423 -2.299 9.489 242 2HD ARG 32 3HD ARG 32 8.750 -3.369 9.073 243 HE ARG 32 HE ARG 32 7.392 -3.201 6.702 244 1HH1 ARG 32 1HH2 ARG 32 8.885 -0.851 8.892 245 2HH1 ARG 32 2HH2 ARG 32 8.803 0.455 7.739 246 1HH2 ARG 32 1HH1 ARG 32 7.657 -1.598 5.111 247 2HH2 ARG 32 2HH1 ARG 32 8.283 -0.025 5.520 248 H LEU 33 H LEU 33 9.238 -5.414 9.288 249 HA LEU 33 HA LEU 33 11.488 -5.611 11.122 250 1HB LEU 33 2HB LEU 33 11.330 -4.426 8.336 251 2HB LEU 33 3HB LEU 33 12.767 -5.030 9.147 252 HG LEU 33 HG LEU 33 12.160 -6.550 7.463 253 1HD1 LEU 33 1HD1 LEU 33 13.076 -7.465 9.588 254 2HD1 LEU 33 2HD1 LEU 33 11.420 -7.830 10.118 255 3HD1 LEU 33 3HD1 LEU 33 12.089 -8.640 8.690 256 1HD2 LEU 33 1HD2 LEU 33 9.540 -7.419 8.620 257 2HD2 LEU 33 2HD2 LEU 33 9.609 -6.095 7.438 258 3HD2 LEU 33 3HD2 LEU 33 10.252 -7.685 7.027 259 H THR 34 H THR 34 12.956 -3.276 10.149 260 HA THR 34 HA THR 34 11.790 -1.306 12.002 261 HB THR 34 HB THR 34 14.301 -1.116 10.330 262 HG1 THR 34 1HG THR 34 13.870 -2.330 12.855 263 1HG2 THR 34 1HG2 THR 34 13.851 1.008 11.426 264 2HG2 THR 34 2HG2 THR 34 13.445 0.192 12.957 265 3HG2 THR 34 3HG2 THR 34 15.108 0.186 12.348 266 H PHE 35 H PHE 35 11.643 1.096 11.179 267 HA PHE 35 HA PHE 35 10.267 1.359 8.744 268 1HB PHE 35 2HB PHE 35 10.913 3.015 10.950 269 2HB PHE 35 3HB PHE 35 11.556 3.849 9.558 270 HD1 PHE 35 1HD PHE 35 8.528 2.036 10.782 271 HD2 PHE 35 2HD PHE 35 10.060 5.089 8.145 272 HE1 PHE 35 1HE PHE 35 6.247 2.653 10.176 273 HE2 PHE 35 2HE PHE 35 7.739 5.709 7.525 274 HZ PHE 35 HZ PHE 35 5.814 4.484 8.519 275 H ASN 36 H ASN 36 11.673 0.016 7.347 276 HA ASN 36 HA ASN 36 14.064 1.343 6.323 277 1HB ASN 36 2HB ASN 36 13.268 -0.767 4.557 278 2HB ASN 36 3HB ASN 36 14.589 -0.661 5.695 279 1HD2 ASN 36 2HD2 ASN 36 11.127 -1.603 5.424 280 2HD2 ASN 36 1HD2 ASN 36 11.075 -2.386 7.004 281 H LYS 37 H LYS 37 11.717 0.203 3.896 282 HA LYS 37 HA LYS 37 10.496 2.621 3.212 283 1HB LYS 37 2HB LYS 37 11.884 3.360 1.255 284 2HB LYS 37 3HB LYS 37 12.564 3.697 2.799 285 1HG LYS 37 2HG LYS 37 13.587 1.110 1.914 286 2HG LYS 37 3HG LYS 37 13.720 2.294 0.607 287 1HD LYS 37 2HD LYS 37 14.789 3.903 2.251 288 2HD LYS 37 3HD LYS 37 14.802 2.595 3.444 289 1HE LYS 37 2HE LYS 37 16.194 1.225 1.844 290 2HE LYS 37 3HE LYS 37 16.200 2.605 0.726 291 1HZ LYS 37 1HZ LYS 37 17.267 3.895 2.446 292 2HZ LYS 37 2HZ LYS 37 17.305 2.585 3.445 293 3HZ LYS 37 3HZ LYS 37 18.162 2.574 2.039 294 H VAL 38 H VAL 38 10.345 2.494 0.500 295 HA VAL 38 HA VAL 38 9.598 -0.257 -0.269 296 HB VAL 38 HB VAL 38 7.631 0.898 0.557 297 1HG1 VAL 38 1HG1 VAL 38 8.239 3.231 0.451 298 2HG1 VAL 38 2HG1 VAL 38 8.342 3.182 -1.320 299 3HG1 VAL 38 3HG1 VAL 38 6.777 2.996 -0.505 300 1HG2 VAL 38 1HG2 VAL 38 7.308 -0.499 -1.468 301 2HG2 VAL 38 2HG2 VAL 38 6.157 0.838 -1.394 302 3HG2 VAL 38 3HG2 VAL 38 7.540 0.935 -2.493 303 H ILE 39 H ILE 39 9.755 -0.567 -2.615 304 HA ILE 39 HA ILE 39 11.852 0.953 -3.847 305 HB ILE 39 HB ILE 39 11.052 -0.113 -5.984 306 1HG1 ILE 39 2HG1 ILE 39 9.624 -2.312 -4.893 307 2HG1 ILE 39 3HG1 ILE 39 8.711 -0.903 -4.407 308 1HG2 ILE 39 1HG2 ILE 39 12.870 -1.034 -4.785 309 2HG2 ILE 39 2HG2 ILE 39 11.785 -1.861 -3.632 310 3HG2 ILE 39 3HG2 ILE 39 11.858 -2.363 -5.340 311 1HD1 ILE 39 1HD1 ILE 39 8.833 -0.134 -6.844 312 2HD1 ILE 39 2HD1 ILE 39 9.528 -1.723 -7.219 313 3HD1 ILE 39 3HD1 ILE 39 7.887 -1.608 -6.550 314 H ARG 40 H ARG 40 8.385 0.919 -4.597 315 HA ARG 40 HA ARG 40 7.024 2.165 -5.621 316 1HB ARG 40 2HB ARG 40 8.603 4.370 -4.336 317 2HB ARG 40 3HB ARG 40 7.549 4.802 -5.672 318 1HG ARG 40 2HG ARG 40 5.771 3.275 -4.331 319 2HG ARG 40 3HG ARG 40 6.792 3.727 -2.970 320 1HD ARG 40 2HD ARG 40 5.620 5.730 -4.965 321 2HD ARG 40 3HD ARG 40 4.729 5.195 -3.560 322 HE ARG 40 HE ARG 40 7.044 6.996 -3.650 323 1HH1 ARG 40 1HH2 ARG 40 5.052 4.944 -1.563 324 2HH1 ARG 40 2HH2 ARG 40 5.321 5.895 -0.132 325 1HH2 ARG 40 1HH1 ARG 40 7.376 8.266 -1.790 326 2HH2 ARG 40 2HH1 ARG 40 6.676 7.811 -0.261 327 HA PRO 41 HA PRO 41 5.688 3.481 -6.968 328 1HB PRO 41 2HB PRO 41 4.443 3.125 -9.351 329 2HB PRO 41 3HB PRO 41 5.347 4.613 -8.959 330 1HG PRO 41 2HG PRO 41 6.348 2.215 -10.519 331 2HG PRO 41 3HG PRO 41 6.413 3.939 -11.001 332 1HD PRO 41 2HD PRO 41 8.532 2.668 -9.802 333 2HD PRO 41 3HD PRO 41 8.168 4.382 -9.461 334 H CYS 42 H CYS 42 3.706 1.875 -7.687 335 HA CYS 42 HA CYS 42 4.534 -0.970 -7.392 336 1HB CYS 42 2HB CYS 42 3.050 0.723 -5.372 337 2HB CYS 42 3HB CYS 42 2.780 -1.010 -5.458 338 HG CYS 42 HG CYS 42 4.435 -0.607 -3.522 339 H MET 43 H MET 43 1.951 -2.082 -7.161 340 HA MET 43 HA MET 43 0.346 -0.762 -9.237 341 1HB MET 43 2HB MET 43 2.332 -1.870 -10.390 342 2HB MET 43 3HB MET 43 1.689 -3.435 -9.883 343 1HG MET 43 2HG MET 43 -0.146 -3.212 -11.325 344 2HG MET 43 3HG MET 43 -0.043 -1.449 -11.363 345 1HE MET 43 1HE MET 43 2.870 -4.020 -12.162 346 2HE MET 43 2HE MET 43 1.423 -4.752 -12.911 347 3HE MET 43 3HE MET 43 2.711 -4.071 -13.933 348 H LYS 44 H LYS 44 -1.720 -1.907 -9.705 349 HA LYS 44 HA LYS 44 -2.528 -3.777 -7.543 350 1HB LYS 44 2HB LYS 44 -4.266 -2.439 -6.809 351 2HB LYS 44 3HB LYS 44 -2.893 -1.337 -6.855 352 1HG LYS 44 2HG LYS 44 -3.927 0.040 -8.363 353 2HG LYS 44 3HG LYS 44 -4.461 -1.269 -9.375 354 1HD LYS 44 2HD LYS 44 -6.253 -1.784 -7.497 355 2HD LYS 44 3HD LYS 44 -5.868 -0.172 -6.926 356 1HE LYS 44 2HE LYS 44 -6.352 0.729 -9.242 357 2HE LYS 44 3HE LYS 44 -6.827 -0.914 -9.725 358 1HZ LYS 44 1HZ LYS 44 -8.506 -0.847 -8.020 359 2HZ LYS 44 2HZ LYS 44 -8.108 0.709 -7.649 360 3HZ LYS 44 3HZ LYS 44 -8.715 0.342 -9.138 361 H LYS 45 H LYS 45 -4.795 -4.636 -7.941 362 HA LYS 45 HA LYS 45 -5.970 -4.196 -10.519 363 1HB LYS 45 2HB LYS 45 -5.666 -6.328 -11.510 364 2HB LYS 45 3HB LYS 45 -4.056 -5.707 -11.199 365 1HG LYS 45 2HG LYS 45 -3.539 -7.310 -9.634 366 2HG LYS 45 3HG LYS 45 -5.180 -7.491 -9.012 367 1HD LYS 45 2HD LYS 45 -5.960 -8.588 -10.935 368 2HD LYS 45 3HD LYS 45 -4.447 -8.283 -11.815 369 1HE LYS 45 2HE LYS 45 -3.231 -9.741 -10.167 370 2HE LYS 45 3HE LYS 45 -4.773 -10.080 -9.359 371 1HZ LYS 45 1HZ LYS 45 -5.553 -11.021 -11.424 372 2HZ LYS 45 2HZ LYS 45 -4.107 -10.716 -12.150 373 3HZ LYS 45 3HZ LYS 45 -4.191 -11.794 -10.906 374 H THR 46 H THR 46 -7.804 -5.831 -10.887 375 HA THR 46 HA THR 46 -9.059 -6.678 -8.333 376 HB THR 46 HB THR 46 -10.496 -5.348 -9.615 377 HG1 THR 46 1HG THR 46 -11.321 -7.381 -8.796 378 1HG2 THR 46 1HG2 THR 46 -9.811 -6.991 -12.073 379 2HG2 THR 46 2HG2 THR 46 -11.185 -5.887 -11.951 380 3HG2 THR 46 3HG2 THR 46 -9.544 -5.258 -11.810 381 H ILE 47 H ILE 47 -8.758 -8.811 -7.733 382 HA ILE 47 HA ILE 47 -7.480 -10.594 -9.687 383 HB ILE 47 HB ILE 47 -6.536 -10.656 -7.540 384 1HG1 ILE 47 2HG1 ILE 47 -8.346 -13.105 -7.617 385 2HG1 ILE 47 3HG1 ILE 47 -7.041 -12.881 -8.790 386 1HG2 ILE 47 1HG2 ILE 47 -8.232 -9.725 -6.155 387 2HG2 ILE 47 2HG2 ILE 47 -9.359 -11.047 -6.538 388 3HG2 ILE 47 3HG2 ILE 47 -7.931 -11.347 -5.529 389 1HD1 ILE 47 1HD1 ILE 47 -5.397 -12.782 -6.898 390 2HD1 ILE 47 2HD1 ILE 47 -6.713 -13.133 -5.756 391 3HD1 ILE 47 3HD1 ILE 47 -6.278 -14.319 -6.986 392 H TYR 48 H TYR 48 -8.407 -12.306 -10.635 393 HA TYR 48 HA TYR 48 -11.344 -12.646 -10.478 394 1HB TYR 48 2HB TYR 48 -9.297 -14.126 -12.127 395 2HB TYR 48 3HB TYR 48 -11.024 -14.060 -12.454 396 HD1 TYR 48 1HD TYR 48 -11.155 -10.949 -12.031 397 HD2 TYR 48 2HD TYR 48 -8.491 -13.471 -14.265 398 HE1 TYR 48 1HE TYR 48 -10.247 -8.952 -13.199 399 HE2 TYR 48 2HE TYR 48 -7.565 -11.494 -15.412 400 HH TYR 48 HH TYR 48 -7.424 -9.219 -15.393 401 H GLU 49 H GLU 49 -12.158 -14.803 -10.372 402 HA GLU 49 HA GLU 49 -11.343 -16.068 -7.996 403 1HB GLU 49 2HB GLU 49 -13.317 -17.546 -8.609 404 2HB GLU 49 3HB GLU 49 -13.649 -15.804 -8.595 405 1HG GLU 49 2HG GLU 49 -12.877 -17.034 -11.237 406 2HG GLU 49 3HG GLU 49 -14.434 -17.500 -10.557 407 H ASN 50 H ASN 50 -9.389 -16.376 -10.078 408 HA ASN 50 HA ASN 50 -9.425 -19.273 -10.847 409 1HB ASN 50 2HB ASN 50 -7.545 -16.995 -11.611 410 2HB ASN 50 3HB ASN 50 -7.479 -18.641 -12.263 411 1HD2 ASN 50 2HD2 ASN 50 -8.173 -15.803 -13.433 412 2HD2 ASN 50 1HD2 ASN 50 -9.632 -16.154 -14.348 413 H GLU 51 H GLU 51 -9.288 -19.046 -8.198 414 HA GLU 51 HA GLU 51 -7.013 -20.521 -7.564 415 1HB GLU 51 2HB GLU 51 -5.834 -18.335 -7.677 416 2HB GLU 51 3HB GLU 51 -6.911 -17.680 -6.439 417 1HG GLU 51 2HG GLU 51 -5.900 -19.028 -4.743 418 2HG GLU 51 3HG GLU 51 -5.291 -20.204 -5.916 419 H GLY 52 H GLY 52 -9.399 -21.284 -7.322 420 1HA GLY 52 2HA GLY 52 -10.954 -22.200 -5.908 421 2HA GLY 52 3HA GLY 52 -9.628 -22.180 -4.739 422 H PHE 53 H PHE 53 -11.736 -19.651 -6.186 423 HA PHE 53 HA PHE 53 -12.895 -19.063 -3.553 424 1HB PHE 53 2HB PHE 53 -11.352 -17.078 -5.266 425 2HB PHE 53 3HB PHE 53 -12.648 -16.546 -4.214 426 HD1 PHE 53 1HD PHE 53 -12.548 -17.515 -1.699 427 HD2 PHE 53 2HD PHE 53 -9.157 -16.994 -4.320 428 HE1 PHE 53 1HE PHE 53 -11.055 -17.319 0.264 429 HE2 PHE 53 2HE PHE 53 -7.680 -16.759 -2.353 430 HZ PHE 53 HZ PHE 53 -8.621 -16.914 -0.055 431 H ARG 54 H ARG 54 -14.747 -17.707 -3.761 432 HA ARG 54 HA ARG 54 -16.512 -18.434 -5.928 433 1HB ARG 54 2HB ARG 54 -17.229 -18.109 -3.600 434 2HB ARG 54 3HB ARG 54 -16.755 -16.402 -3.661 435 1HG ARG 54 2HG ARG 54 -18.509 -15.876 -5.199 436 2HG ARG 54 3HG ARG 54 -18.853 -17.597 -5.515 437 1HD ARG 54 2HD ARG 54 -19.683 -17.886 -3.215 438 2HD ARG 54 3HD ARG 54 -19.131 -16.266 -2.789 439 HE ARG 54 HE ARG 54 -21.001 -15.347 -3.654 440 1HH1 ARG 54 1HH2 ARG 54 -20.726 -18.605 -4.994 441 2HH1 ARG 54 2HH2 ARG 54 -22.285 -18.568 -5.773 442 1HH2 ARG 54 1HH1 ARG 54 -23.038 -15.292 -4.639 443 2HH2 ARG 54 2HH1 ARG 54 -23.625 -16.647 -5.561 444 H GLU 55 H GLU 55 -17.650 -16.719 -7.310 445 HA GLU 55 HA GLU 55 -16.049 -15.464 -9.021 446 1HB GLU 55 2HB GLU 55 -18.212 -14.305 -9.509 447 2HB GLU 55 3HB GLU 55 -18.245 -16.052 -9.576 448 1HG GLU 55 2HG GLU 55 -19.501 -16.154 -7.487 449 2HG GLU 55 3HG GLU 55 -19.230 -14.432 -7.174 450 H ILE 56 H ILE 56 -14.811 -13.707 -8.979 451 HA ILE 56 HA ILE 56 -13.778 -11.840 -8.400 452 HB ILE 56 HB ILE 56 -16.576 -10.824 -7.844 453 1HG1 ILE 56 2HG1 ILE 56 -16.248 -9.797 -10.164 454 2HG1 ILE 56 3HG1 ILE 56 -14.927 -10.941 -10.412 455 1HG2 ILE 56 1HG2 ILE 56 -14.774 -9.323 -6.961 456 2HG2 ILE 56 2HG2 ILE 56 -13.988 -9.354 -8.547 457 3HG2 ILE 56 3HG2 ILE 56 -15.583 -8.606 -8.350 458 1HD1 ILE 56 1HD1 ILE 56 -17.788 -11.761 -9.717 459 2HD1 ILE 56 2HD1 ILE 56 -17.214 -11.522 -11.377 460 3HD1 ILE 56 3HD1 ILE 56 -16.499 -12.795 -10.395 461 H LYS 57 H LYS 57 -12.447 -12.238 -6.701 462 HA LYS 57 HA LYS 57 -13.445 -12.521 -3.996 463 1HB LYS 57 2HB LYS 57 -11.358 -13.603 -4.939 464 2HB LYS 57 3HB LYS 57 -10.612 -12.008 -4.974 465 1HG LYS 57 2HG LYS 57 -9.829 -13.131 -3.047 466 2HG LYS 57 3HG LYS 57 -10.887 -11.841 -2.486 467 1HD LYS 57 2HD LYS 57 -12.317 -14.411 -2.952 468 2HD LYS 57 3HD LYS 57 -10.983 -14.587 -1.819 469 1HE LYS 57 2HE LYS 57 -13.168 -12.474 -1.523 470 2HE LYS 57 3HE LYS 57 -13.196 -14.068 -0.751 471 1HZ LYS 57 1HZ LYS 57 -11.150 -13.532 0.339 472 2HZ LYS 57 2HZ LYS 57 -11.124 -12.034 -0.346 473 3HZ LYS 57 3HZ LYS 57 -12.321 -12.434 0.714 474 H GLY 58 H GLY 58 -11.742 -9.952 -5.850 475 1HA GLY 58 2HA GLY 58 -13.032 -7.736 -5.254 476 2HA GLY 58 3HA GLY 58 -12.191 -7.960 -3.713 477 H TYR 59 H TYR 59 -10.978 -6.136 -3.969 478 HA TYR 59 HA TYR 59 -9.189 -5.906 -6.284 479 1HB TYR 59 2HB TYR 59 -9.932 -4.065 -3.967 480 2HB TYR 59 3HB TYR 59 -8.348 -3.879 -4.669 481 HD1 TYR 59 1HD TYR 59 -8.321 -4.140 -7.280 482 HD2 TYR 59 2HD TYR 59 -11.675 -2.724 -5.029 483 HE1 TYR 59 1HE TYR 59 -9.217 -2.999 -9.347 484 HE2 TYR 59 2HE TYR 59 -12.603 -1.640 -7.053 485 HH TYR 59 HH TYR 59 -12.324 -1.241 -9.317 486 H GLU 60 H GLU 60 -6.889 -5.746 -6.120 487 HA GLU 60 HA GLU 60 -5.720 -6.671 -3.639 488 1HB GLU 60 2HB GLU 60 -5.541 -7.919 -6.368 489 2HB GLU 60 3HB GLU 60 -4.037 -7.710 -5.477 490 1HG GLU 60 2HG GLU 60 -5.033 -8.917 -3.519 491 2HG GLU 60 3HG GLU 60 -6.507 -9.189 -4.462 492 H TYR 61 H TYR 61 -3.828 -5.597 -3.203 493 HA TYR 61 HA TYR 61 -2.837 -3.561 -5.174 494 1HB TYR 61 2HB TYR 61 -2.908 -3.341 -2.174 495 2HB TYR 61 3HB TYR 61 -2.350 -2.118 -3.312 496 HD1 TYR 61 1HD TYR 61 -5.051 -3.224 -1.341 497 HD2 TYR 61 2HD TYR 61 -4.123 -1.103 -4.937 498 HE1 TYR 61 1HE TYR 61 -7.173 -1.926 -1.154 499 HE2 TYR 61 2HE TYR 61 -6.377 -0.010 -4.858 500 HH TYR 61 HH TYR 61 -8.845 -0.872 -2.501 501 H GLN 62 H GLN 62 -0.804 -4.201 -5.831 502 HA GLN 62 HA GLN 62 0.775 -6.048 -4.114 503 1HB GLN 62 2HB GLN 62 0.151 -6.815 -6.416 504 2HB GLN 62 3HB GLN 62 0.981 -5.396 -7.075 505 1HG GLN 62 2HG GLN 62 2.991 -6.458 -5.518 506 2HG GLN 62 3HG GLN 62 2.107 -7.920 -5.948 507 1HE2 GLN 62 2HE2 GLN 62 1.921 -8.492 -8.239 508 2HE2 GLN 62 1HE2 GLN 62 3.041 -7.786 -9.392 509 H LEU 63 H LEU 63 2.251 -5.041 -2.941 510 HA LEU 63 HA LEU 63 3.767 -2.816 -4.139 511 1HB LEU 63 2HB LEU 63 3.746 -1.653 -1.940 512 2HB LEU 63 3HB LEU 63 2.209 -1.688 -2.798 513 HG LEU 63 HG LEU 63 2.187 -3.992 -1.104 514 1HD1 LEU 63 1HD1 LEU 63 4.064 -2.926 0.132 515 2HD1 LEU 63 2HD1 LEU 63 3.046 -1.491 0.406 516 3HD1 LEU 63 3HD1 LEU 63 2.584 -3.062 1.092 517 1HD2 LEU 63 1HD2 LEU 63 0.801 -1.308 -0.779 518 2HD2 LEU 63 2HD2 LEU 63 0.236 -2.661 -1.785 519 3HD2 LEU 63 3HD2 LEU 63 0.326 -2.848 -0.026 520 H TYR 64 H TYR 64 5.837 -2.975 -4.010 521 HA TYR 64 HA TYR 64 7.045 -5.319 -2.662 522 1HB TYR 64 2HB TYR 64 7.638 -3.507 -4.990 523 2HB TYR 64 3HB TYR 64 8.971 -4.280 -4.155 524 HD1 TYR 64 1HD TYR 64 8.996 -6.794 -3.826 525 HD2 TYR 64 2HD TYR 64 6.403 -4.781 -6.635 526 HE1 TYR 64 1HE TYR 64 8.801 -8.862 -5.166 527 HE2 TYR 64 2HE TYR 64 6.253 -6.849 -7.979 528 HH TYR 64 HH TYR 64 6.888 -9.059 -8.167 529 H VAL 65 H VAL 65 7.100 -4.637 -0.526 530 HA VAL 65 HA VAL 65 8.282 -2.018 0.114 531 HB VAL 65 HB VAL 65 6.256 -2.831 1.244 532 1HG1 VAL 65 1HG1 VAL 65 6.850 -5.238 1.494 533 2HG1 VAL 65 2HG1 VAL 65 8.036 -4.776 2.738 534 3HG1 VAL 65 3HG1 VAL 65 6.303 -4.455 2.977 535 1HG2 VAL 65 1HG2 VAL 65 8.565 -2.315 3.133 536 2HG2 VAL 65 2HG2 VAL 65 7.685 -1.078 2.203 537 3HG2 VAL 65 3HG2 VAL 65 6.822 -2.042 3.407 538 H TYR 66 H TYR 66 10.335 -1.738 1.110 539 HA TYR 66 HA TYR 66 12.207 -4.004 0.854 540 1HB TYR 66 2HB TYR 66 12.443 -0.988 1.080 541 2HB TYR 66 3HB TYR 66 13.736 -2.002 1.647 542 HD1 TYR 66 1HD TYR 66 14.297 -3.983 -0.097 543 HD2 TYR 66 2HD TYR 66 12.991 0.003 -0.992 544 HE1 TYR 66 1HE TYR 66 15.477 -4.105 -2.287 545 HE2 TYR 66 2HE TYR 66 14.278 -0.049 -3.107 546 HH TYR 66 HH TYR 66 15.978 -2.984 -4.240 547 H ALA 67 H ALA 67 12.736 -5.098 2.714 548 HA ALA 67 HA ALA 67 12.663 -3.686 5.236 549 1HB ALA 67 1HB ALA 67 10.228 -4.592 4.644 550 2HB ALA 67 2HB ALA 67 10.923 -6.133 5.192 551 3HB ALA 67 3HB ALA 67 10.887 -4.720 6.264 552 H SER 68 H SER 68 13.917 -4.676 6.878 553 HA SER 68 HA SER 68 15.806 -5.757 7.444 554 1HB SER 68 2HB SER 68 14.039 -7.670 7.413 555 2HB SER 68 3HB SER 68 14.917 -8.245 5.995 556 HG SER 68 HG SER 68 15.718 -9.132 7.958 557 H ASP 69 H ASP 69 15.757 -4.375 4.794 558 HA ASP 69 HA ASP 69 16.838 -4.101 2.870 559 1HB ASP 69 2HB ASP 69 18.749 -3.918 4.456 560 2HB ASP 69 3HB ASP 69 19.102 -5.632 4.187 561 H LYS 70 H LYS 70 15.082 -6.387 3.007 562 HA LYS 70 HA LYS 70 16.043 -7.770 0.554 563 1HB LYS 70 2HB LYS 70 14.347 -8.916 2.833 564 2HB LYS 70 3HB LYS 70 14.379 -9.572 1.204 565 1HG LYS 70 2HG LYS 70 15.783 -10.951 2.341 566 2HG LYS 70 3HG LYS 70 16.880 -9.919 1.421 567 1HD LYS 70 2HD LYS 70 17.601 -8.751 3.336 568 2HD LYS 70 3HD LYS 70 16.164 -9.173 4.272 569 1HE LYS 70 2HE LYS 70 18.307 -11.177 3.450 570 2HE LYS 70 3HE LYS 70 18.236 -10.347 5.014 571 1HZ LYS 70 1HZ LYS 70 16.097 -11.326 5.392 572 2HZ LYS 70 2HZ LYS 70 16.162 -12.136 3.960 573 3HZ LYS 70 3HZ LYS 70 17.239 -12.487 5.152 574 H LEU 71 H LEU 71 14.042 -8.371 -0.764 575 HA LEU 71 HA LEU 71 11.976 -6.221 -0.589 576 1HB LEU 71 2HB LEU 71 13.167 -7.895 -2.762 577 2HB LEU 71 3HB LEU 71 11.421 -7.641 -2.860 578 HG LEU 71 HG LEU 71 12.964 -5.193 -2.241 579 1HD1 LEU 71 1HD1 LEU 71 14.521 -6.185 -3.829 580 2HD1 LEU 71 2HD1 LEU 71 13.198 -6.522 -4.969 581 3HD1 LEU 71 3HD1 LEU 71 13.650 -4.841 -4.596 582 1HD2 LEU 71 1HD2 LEU 71 10.901 -5.730 -4.358 583 2HD2 LEU 71 2HD2 LEU 71 10.511 -5.318 -2.658 584 3HD2 LEU 71 3HD2 LEU 71 11.389 -4.168 -3.683 585 H PHE 72 H PHE 72 9.999 -6.707 0.134 586 HA PHE 72 HA PHE 72 9.229 -9.595 0.404 587 1HB PHE 72 2HB PHE 72 8.830 -7.167 2.170 588 2HB PHE 72 3HB PHE 72 7.787 -8.548 2.257 589 HD1 PHE 72 1HD PHE 72 10.992 -7.262 3.156 590 HD2 PHE 72 2HD PHE 72 8.726 -10.878 2.810 591 HE1 PHE 72 1HE PHE 72 12.444 -8.335 4.935 592 HE2 PHE 72 2HE PHE 72 10.156 -11.957 4.527 593 HZ PHE 72 HZ PHE 72 12.000 -10.683 5.598 594 H ARG 73 H ARG 73 7.629 -10.085 -0.997 595 HA ARG 73 HA ARG 73 6.404 -7.956 -2.557 596 1HB ARG 73 2HB ARG 73 7.156 -10.185 -3.517 597 2HB ARG 73 3HB ARG 73 5.821 -10.945 -2.639 598 1HG ARG 73 2HG ARG 73 4.274 -9.235 -3.840 599 2HG ARG 73 3HG ARG 73 5.682 -8.810 -4.809 600 1HD ARG 73 2HD ARG 73 4.648 -10.422 -6.141 601 2HD ARG 73 3HD ARG 73 5.849 -11.392 -5.269 602 HE ARG 73 HE ARG 73 3.165 -11.114 -4.041 603 1HH1 ARG 73 1HH2 ARG 73 5.175 -13.168 -6.116 604 2HH1 ARG 73 2HH2 ARG 73 4.080 -14.521 -6.034 605 1HH2 ARG 73 1HH1 ARG 73 1.745 -12.771 -3.999 606 2HH2 ARG 73 2HH1 ARG 73 2.076 -14.309 -4.768 607 H ALA 74 H ALA 74 4.797 -6.820 -1.379 608 HA ALA 74 HA ALA 74 3.122 -8.443 0.448 609 1HB ALA 74 1HB ALA 74 4.276 -6.704 1.606 610 2HB ALA 74 2HB ALA 74 3.793 -5.491 0.409 611 3HB ALA 74 3HB ALA 74 2.569 -6.232 1.441 612 H ASP 75 H ASP 75 1.101 -8.953 -0.186 613 HA ASP 75 HA ASP 75 -0.166 -7.352 -2.377 614 1HB ASP 75 2HB ASP 75 -0.508 -10.307 -1.730 615 2HB ASP 75 3HB ASP 75 -1.201 -9.412 -3.089 616 H ILE 76 H ILE 76 -1.755 -6.102 -1.267 617 HA ILE 76 HA ILE 76 -3.230 -7.479 0.994 618 HB ILE 76 HB ILE 76 -2.928 -4.604 0.202 619 1HG1 ILE 76 2HG1 ILE 76 -2.936 -4.344 2.644 620 2HG1 ILE 76 3HG1 ILE 76 -3.510 -5.998 2.865 621 1HG2 ILE 76 1HG2 ILE 76 -5.419 -4.950 -0.033 622 2HG2 ILE 76 2HG2 ILE 76 -5.443 -5.666 1.586 623 3HG2 ILE 76 3HG2 ILE 76 -4.993 -3.969 1.367 624 1HD1 ILE 76 1HD1 ILE 76 -1.351 -6.879 2.007 625 2HD1 ILE 76 2HD1 ILE 76 -0.790 -5.204 1.766 626 3HD1 ILE 76 3HD1 ILE 76 -1.210 -5.821 3.390 627 H SER 77 H SER 77 -5.392 -7.911 0.795 628 HA SER 77 HA SER 77 -6.550 -7.730 -1.915 629 1HB SER 77 2HB SER 77 -5.889 -10.148 -0.914 630 2HB SER 77 3HB SER 77 -7.426 -9.910 -0.072 631 HG SER 77 HG SER 77 -8.187 -9.343 -2.351 632 H GLU 78 H GLU 78 -8.773 -7.078 -1.888 633 HA GLU 78 HA GLU 78 -9.850 -6.266 0.740 634 1HB GLU 78 2HB GLU 78 -10.352 -5.096 -2.040 635 2HB GLU 78 3HB GLU 78 -11.182 -4.608 -0.568 636 1HG GLU 78 2HG GLU 78 -8.725 -4.187 0.346 637 2HG GLU 78 3HG GLU 78 -8.331 -4.110 -1.372 638 H ASP 79 H ASP 79 -12.163 -6.346 0.873 639 HA ASP 79 HA ASP 79 -13.302 -8.788 -0.307 640 1HB ASP 79 2HB ASP 79 -13.602 -8.185 2.101 641 2HB ASP 79 3HB ASP 79 -14.569 -6.787 1.610 642 H TYR 80 H TYR 80 -13.981 -8.572 -2.376 643 HA TYR 80 HA TYR 80 -14.890 -6.604 -3.951 644 1HB TYR 80 2HB TYR 80 -14.869 -8.938 -4.632 645 2HB TYR 80 3HB TYR 80 -16.103 -9.344 -3.450 646 HD1 TYR 80 1HD TYR 80 -17.748 -10.313 -4.842 647 HD2 TYR 80 2HD TYR 80 -16.079 -6.480 -5.924 648 HE1 TYR 80 1HE TYR 80 -19.462 -10.057 -6.597 649 HE2 TYR 80 2HE TYR 80 -17.820 -6.217 -7.655 650 HH TYR 80 HH TYR 80 -20.308 -8.709 -8.263 651 H LYS 81 H LYS 81 -16.825 -7.986 -1.290 652 HA LYS 81 HA LYS 81 -19.339 -7.041 -1.866 653 1HB LYS 81 2HB LYS 81 -18.570 -8.494 0.075 654 2HB LYS 81 3HB LYS 81 -17.979 -7.013 0.852 655 1HG LYS 81 2HG LYS 81 -20.091 -7.701 1.808 656 2HG LYS 81 3HG LYS 81 -20.339 -6.169 0.964 657 1HD LYS 81 2HD LYS 81 -21.374 -7.331 -0.934 658 2HD LYS 81 3HD LYS 81 -20.939 -8.911 -0.245 659 1HE LYS 81 2HE LYS 81 -22.420 -8.416 1.721 660 2HE LYS 81 3HE LYS 81 -22.884 -6.884 0.955 661 1HZ LYS 81 1HZ LYS 81 -23.750 -8.159 -0.882 662 2HZ LYS 81 2HZ LYS 81 -23.326 -9.572 -0.147 663 3HZ LYS 81 3HZ LYS 81 -24.469 -8.601 0.533 664 H THR 82 H THR 82 -16.564 -5.068 -0.861 665 HA THR 82 HA THR 82 -17.965 -2.577 -0.944 666 HB THR 82 HB THR 82 -17.567 -4.025 1.691 667 HG1 THR 82 1HG THR 82 -19.641 -3.585 0.391 668 1HG2 THR 82 1HG2 THR 82 -16.421 -2.078 2.294 669 2HG2 THR 82 2HG2 THR 82 -17.422 -1.061 1.208 670 3HG2 THR 82 3HG2 THR 82 -18.096 -1.741 2.722 671 H ARG 83 H ARG 83 -15.327 -3.496 1.294 672 HA ARG 83 HA ARG 83 -13.085 -3.030 -0.289 673 1HB ARG 83 2HB ARG 83 -12.379 -0.808 0.334 674 2HB ARG 83 3HB ARG 83 -13.773 -0.725 -0.708 675 1HG ARG 83 2HG ARG 83 -15.104 0.257 0.844 676 2HG ARG 83 3HG ARG 83 -14.515 -0.738 2.167 677 1HD ARG 83 2HD ARG 83 -13.198 0.844 2.941 678 2HD ARG 83 3HD ARG 83 -12.355 1.036 1.398 679 HE ARG 83 HE ARG 83 -14.840 2.353 1.180 680 1HH1 ARG 83 1HH2 ARG 83 -11.763 2.625 2.884 681 2HH1 ARG 83 2HH2 ARG 83 -11.858 4.352 3.096 682 1HH2 ARG 83 1HH1 ARG 83 -14.964 4.625 1.401 683 2HH2 ARG 83 2HH1 ARG 83 -13.703 5.511 2.213 684 H GLY 84 H GLY 84 -13.649 -4.831 1.584 685 1HA GLY 84 2HA GLY 84 -12.658 -4.247 4.232 686 2HA GLY 84 3HA GLY 84 -12.768 -5.851 3.471 687 H ARG 85 H ARG 85 -10.530 -5.692 4.910 688 HA ARG 85 HA ARG 85 -8.437 -5.433 2.859 689 1HB ARG 85 2HB ARG 85 -8.966 -3.321 4.614 690 2HB ARG 85 3HB ARG 85 -7.650 -4.142 5.423 691 1HG ARG 85 2HG ARG 85 -6.139 -3.753 3.678 692 2HG ARG 85 3HG ARG 85 -7.411 -3.574 2.452 693 1HD ARG 85 2HD ARG 85 -6.937 -1.576 4.675 694 2HD ARG 85 3HD ARG 85 -6.372 -1.391 3.003 695 HE ARG 85 HE ARG 85 -8.974 -1.883 2.560 696 1HH1 ARG 85 1HH2 ARG 85 -7.403 0.680 4.427 697 2HH1 ARG 85 2HH2 ARG 85 -8.902 1.389 4.952 698 1HH2 ARG 85 1HH1 ARG 85 -10.944 -0.960 3.187 699 2HH2 ARG 85 2HH1 ARG 85 -10.951 0.490 4.161 700 H LYS 86 H LYS 86 -7.690 -7.445 2.854 701 HA LYS 86 HA LYS 86 -7.239 -8.840 5.446 702 1HB LYS 86 2HB LYS 86 -7.605 -9.859 2.622 703 2HB LYS 86 3HB LYS 86 -7.006 -10.868 3.942 704 1HG LYS 86 2HG LYS 86 -9.717 -9.460 3.954 705 2HG LYS 86 3HG LYS 86 -9.410 -11.132 3.502 706 1HD LYS 86 2HD LYS 86 -10.101 -11.393 5.652 707 2HD LYS 86 3HD LYS 86 -8.356 -11.455 5.849 708 1HE LYS 86 2HE LYS 86 -8.343 -9.544 7.177 709 2HE LYS 86 3HE LYS 86 -9.519 -8.708 6.161 710 1HZ LYS 86 1HZ LYS 86 -11.233 -10.025 7.161 711 2HZ LYS 86 2HZ LYS 86 -10.138 -10.808 8.112 712 3HZ LYS 86 3HZ LYS 86 -10.389 -9.190 8.303 713 H LEU 87 H LEU 87 -5.348 -9.363 6.123 714 HA LEU 87 HA LEU 87 -2.992 -8.193 4.928 715 1HB LEU 87 2HB LEU 87 -3.581 -8.407 7.371 716 2HB LEU 87 3HB LEU 87 -3.282 -10.139 7.273 717 HG LEU 87 HG LEU 87 -1.275 -7.933 6.672 718 1HD1 LEU 87 1HD1 LEU 87 -1.942 -7.878 8.984 719 2HD1 LEU 87 2HD1 LEU 87 -1.600 -9.611 9.178 720 3HD1 LEU 87 3HD1 LEU 87 -0.280 -8.461 8.856 721 1HD2 LEU 87 1HD2 LEU 87 -0.931 -10.964 7.047 722 2HD2 LEU 87 2HD2 LEU 87 -0.534 -10.044 5.581 723 3HD2 LEU 87 3HD2 LEU 87 0.424 -9.827 7.045 724 H LEU 88 H LEU 88 -2.797 -9.201 2.905 725 HA LEU 88 HA LEU 88 -1.748 -12.009 2.953 726 1HB LEU 88 2HB LEU 88 -3.234 -10.386 0.911 727 2HB LEU 88 3HB LEU 88 -2.032 -11.543 0.334 728 HG LEU 88 HG LEU 88 -4.284 -12.381 0.248 729 1HD1 LEU 88 1HD1 LEU 88 -2.414 -13.962 0.573 730 2HD1 LEU 88 2HD1 LEU 88 -2.697 -13.935 2.328 731 3HD1 LEU 88 3HD1 LEU 88 -3.946 -14.555 1.237 732 1HD2 LEU 88 1HD2 LEU 88 -4.419 -12.338 3.276 733 2HD2 LEU 88 2HD2 LEU 88 -5.205 -11.144 2.215 734 3HD2 LEU 88 3HD2 LEU 88 -5.666 -12.854 2.135 735 H ARG 89 H ARG 89 -0.649 -9.075 3.534 736 HA ARG 89 HA ARG 89 1.447 -8.713 1.704 737 1HB ARG 89 2HB ARG 89 2.447 -7.243 3.537 738 2HB ARG 89 3HB ARG 89 0.906 -6.774 2.846 739 1HG ARG 89 2HG ARG 89 -0.287 -7.564 4.766 740 2HG ARG 89 3HG ARG 89 1.204 -8.239 5.470 741 1HD ARG 89 2HD ARG 89 0.552 -6.076 6.473 742 2HD ARG 89 3HD ARG 89 2.139 -5.995 5.738 743 HE ARG 89 HE ARG 89 -0.329 -4.608 4.903 744 1HH1 ARG 89 1HH2 ARG 89 3.019 -5.341 3.992 745 2HH1 ARG 89 2HH2 ARG 89 3.085 -4.076 2.800 746 1HH2 ARG 89 1HH1 ARG 89 -0.205 -2.945 3.457 747 2HH2 ARG 89 2HH1 ARG 89 1.194 -2.712 2.462 748 H PHE 90 H PHE 90 3.728 -8.536 2.355 749 HA PHE 90 HA PHE 90 5.700 -9.348 2.811 750 1HB PHE 90 2HB PHE 90 4.222 -9.905 5.331 751 2HB PHE 90 3HB PHE 90 5.876 -10.491 5.147 752 HD1 PHE 90 1HD PHE 90 3.846 -7.537 5.688 753 HD2 PHE 90 2HD PHE 90 7.791 -8.968 4.839 754 HE1 PHE 90 1HE PHE 90 4.744 -5.227 5.955 755 HE2 PHE 90 2HE PHE 90 8.659 -6.651 4.891 756 HZ PHE 90 HZ PHE 90 7.093 -4.734 5.310 757 H ASN 91 H ASN 91 4.878 -10.750 0.886 758 HA ASN 91 HA ASN 91 5.252 -13.630 1.541 759 1HB ASN 91 2HB ASN 91 3.134 -12.702 0.330 760 2HB ASN 91 3HB ASN 91 4.200 -12.561 -1.074 761 1HD2 ASN 91 2HD2 ASN 91 4.925 -14.555 -2.110 762 2HD2 ASN 91 1HD2 ASN 91 4.261 -16.104 -1.609 763 H GLY 92 H GLY 92 6.409 -14.808 -0.254 764 1HA GLY 92 2HA GLY 92 8.097 -14.819 -1.954 765 2HA GLY 92 3HA GLY 92 8.747 -13.306 -1.338 766 HA PRO 93 HA PRO 93 10.028 -12.466 0.383 767 1HB PRO 93 2HB PRO 93 12.667 -12.410 1.017 768 2HB PRO 93 3HB PRO 93 11.409 -12.732 2.241 769 1HG PRO 93 2HG PRO 93 13.049 -14.785 0.723 770 2HG PRO 93 3HG PRO 93 12.826 -14.667 2.495 771 1HD PRO 93 2HD PRO 93 11.295 -16.326 0.963 772 2HD PRO 93 3HD PRO 93 10.574 -15.442 2.336 773 H VAL 94 H VAL 94 11.660 -11.152 -0.951 774 HA VAL 94 HA VAL 94 12.207 -12.573 -3.504 775 HB VAL 94 HB VAL 94 10.953 -9.910 -2.876 776 1HG1 VAL 94 1HG1 VAL 94 12.697 -9.310 -4.497 777 2HG1 VAL 94 2HG1 VAL 94 12.196 -10.635 -5.563 778 3HG1 VAL 94 3HG1 VAL 94 11.112 -9.268 -5.244 779 1HG2 VAL 94 1HG2 VAL 94 10.287 -12.228 -4.735 780 2HG2 VAL 94 2HG2 VAL 94 9.539 -11.897 -3.154 781 3HG2 VAL 94 3HG2 VAL 94 9.294 -10.790 -4.500 782 HA PRO 95 HA PRO 95 16.365 -11.304 -2.590 783 1HB PRO 95 2HB PRO 95 17.601 -11.897 -4.981 784 2HB PRO 95 3HB PRO 95 17.027 -13.154 -3.843 785 1HG PRO 95 2HG PRO 95 15.585 -12.054 -6.272 786 2HG PRO 95 3HG PRO 95 15.871 -13.772 -5.859 787 1HD PRO 95 2HD PRO 95 13.541 -12.534 -5.277 788 2HD PRO 95 3HD PRO 95 14.248 -13.702 -4.122 789 HA PRO 96 HA PRO 96 16.551 -7.187 -4.174 790 1HB PRO 96 2HB PRO 96 19.246 -6.604 -4.286 791 2HB PRO 96 3HB PRO 96 18.334 -6.783 -2.758 792 1HG PRO 96 2HG PRO 96 19.981 -8.893 -4.181 793 2HG PRO 96 3HG PRO 96 20.072 -8.418 -2.457 794 1HD PRO 96 2HD PRO 96 18.630 -10.568 -3.247 795 2HD PRO 96 3HD PRO 96 17.988 -9.481 -1.981 796 HA PRO 97 HA PRO 97 17.017 -7.607 -8.588 797 1HB PRO 97 2HB PRO 97 17.227 -5.016 -9.439 798 2HB PRO 97 3HB PRO 97 15.722 -5.681 -8.740 799 1HG PRO 97 2HG PRO 97 17.875 -4.099 -7.299 800 2HG PRO 97 3HG PRO 97 16.112 -3.790 -7.300 801 1HD PRO 97 2HD PRO 97 17.295 -5.184 -5.294 802 2HD PRO 97 3HD PRO 97 15.700 -5.692 -5.932 Start of MODEL 20 1 1H MET 1 1H MET 1 -12.714 -5.112 -13.705 2 2H MET 1 2H MET 1 -12.038 -3.886 -14.578 3 3H MET 1 3H MET 1 -13.675 -3.938 -14.355 4 HA MET 1 HA MET 1 -13.786 -6.002 -15.546 5 1HB MET 1 2HB MET 1 -14.088 -3.647 -16.517 6 2HB MET 1 3HB MET 1 -12.505 -3.831 -17.269 7 1HG MET 1 2HG MET 1 -13.343 -5.291 -18.855 8 2HG MET 1 3HG MET 1 -14.395 -6.106 -17.693 9 1HE MET 1 1HE MET 1 -15.475 -5.797 -20.556 10 2HE MET 1 2HE MET 1 -16.418 -6.444 -19.186 11 3HE MET 1 3HE MET 1 -17.115 -5.180 -20.226 12 H GLY 2 H GLY 2 -11.743 -6.756 -14.073 13 1HA GLY 2 2HA GLY 2 -9.720 -7.837 -13.951 14 2HA GLY 2 3HA GLY 2 -9.806 -8.090 -15.708 15 H GLU 3 H GLU 3 -7.552 -7.619 -15.891 16 HA GLU 3 HA GLU 3 -5.754 -6.422 -16.345 17 1HB GLU 3 2HB GLU 3 -7.571 -3.986 -16.477 18 2HB GLU 3 3HB GLU 3 -5.962 -4.178 -17.188 19 1HG GLU 3 2HG GLU 3 -6.861 -6.089 -18.576 20 2HG GLU 3 3HG GLU 3 -8.485 -5.687 -17.987 21 H TRP 4 H TRP 4 -4.346 -4.535 -15.668 22 HA TRP 4 HA TRP 4 -4.480 -4.249 -12.705 23 1HB TRP 4 2HB TRP 4 -2.021 -4.149 -14.481 24 2HB TRP 4 3HB TRP 4 -2.074 -3.984 -12.759 25 HD1 TRP 4 HD TRP 4 -3.101 -6.766 -15.292 26 HE1 TRP 4 1HE TRP 4 -2.376 -9.014 -14.344 27 HE3 TRP 4 3HE TRP 4 -1.278 -5.165 -10.839 28 HZ2 TRP 4 2HZ TRP 4 -1.027 -10.003 -11.956 29 HZ3 TRP 4 3HZ TRP 4 -0.228 -6.758 -9.234 30 HH2 TRP 4 HH TRP 4 -0.034 -9.173 -9.826 31 H GLU 5 H GLU 5 -3.647 -2.242 -11.849 32 HA GLU 5 HA GLU 5 -3.923 0.151 -13.568 33 1HB GLU 5 2HB GLU 5 -5.546 -0.599 -11.110 34 2HB GLU 5 3HB GLU 5 -5.374 1.061 -11.644 35 1HG GLU 5 2HG GLU 5 -6.463 0.593 -13.762 36 2HG GLU 5 3HG GLU 5 -6.500 -1.145 -13.424 37 H ILE 6 H ILE 6 -3.391 2.068 -12.285 38 HA ILE 6 HA ILE 6 -0.781 1.684 -11.099 39 HB ILE 6 HB ILE 6 -2.301 4.271 -11.480 40 1HG1 ILE 6 2HG1 ILE 6 -0.485 2.883 -13.513 41 2HG1 ILE 6 3HG1 ILE 6 -2.239 3.060 -13.657 42 1HG2 ILE 6 1HG2 ILE 6 -0.291 4.426 -10.065 43 2HG2 ILE 6 2HG2 ILE 6 0.683 3.649 -11.327 44 3HG2 ILE 6 3HG2 ILE 6 -0.018 5.260 -11.584 45 1HD1 ILE 6 1HD1 ILE 6 -1.911 5.582 -13.517 46 2HD1 ILE 6 2HD1 ILE 6 -0.188 5.258 -13.836 47 3HD1 ILE 6 3HD1 ILE 6 -1.415 4.753 -15.004 48 H ILE 7 H ILE 7 -0.310 1.855 -8.954 49 HA ILE 7 HA ILE 7 -2.292 1.679 -6.946 50 HB ILE 7 HB ILE 7 -0.075 0.752 -6.749 51 1HG1 ILE 7 2HG1 ILE 7 -0.163 2.862 -4.577 52 2HG1 ILE 7 3HG1 ILE 7 -1.442 1.632 -4.710 53 1HG2 ILE 7 1HG2 ILE 7 1.148 2.663 -7.942 54 2HG2 ILE 7 2HG2 ILE 7 1.044 3.570 -6.429 55 3HG2 ILE 7 3HG2 ILE 7 1.919 2.042 -6.494 56 1HD1 ILE 7 1HD1 ILE 7 0.201 -0.157 -4.493 57 2HD1 ILE 7 2HD1 ILE 7 1.500 1.054 -4.324 58 3HD1 ILE 7 3HD1 ILE 7 0.228 0.956 -3.107 59 H ASP 8 H ASP 8 -0.362 4.419 -8.029 60 HA ASP 8 HA ASP 8 -0.527 6.603 -7.909 61 1HB ASP 8 2HB ASP 8 -2.985 6.334 -8.268 62 2HB ASP 8 3HB ASP 8 -3.217 6.379 -6.511 63 H ILE 9 H ILE 9 0.558 7.987 -6.635 64 HA ILE 9 HA ILE 9 1.192 7.212 -3.878 65 HB ILE 9 HB ILE 9 2.035 9.633 -5.515 66 1HG1 ILE 9 2HG1 ILE 9 2.797 7.644 -6.689 67 2HG1 ILE 9 3HG1 ILE 9 4.165 8.420 -5.907 68 1HG2 ILE 9 1HG2 ILE 9 2.538 10.186 -3.277 69 2HG2 ILE 9 2HG2 ILE 9 3.104 8.543 -2.895 70 3HG2 ILE 9 3HG2 ILE 9 4.048 9.607 -3.953 71 1HD1 ILE 9 1HD1 ILE 9 3.984 6.745 -4.019 72 2HD1 ILE 9 2HD1 ILE 9 2.708 5.919 -4.943 73 3HD1 ILE 9 3HD1 ILE 9 4.347 6.035 -5.599 74 H GLY 10 H GLY 10 1.122 9.014 -2.178 75 1HA GLY 10 2HA GLY 10 -0.081 10.941 -1.343 76 2HA GLY 10 3HA GLY 10 -1.481 10.490 -2.311 77 HA PRO 11 HA PRO 11 -2.231 8.769 1.857 78 1HB PRO 11 2HB PRO 11 -4.913 8.234 1.670 79 2HB PRO 11 3HB PRO 11 -4.246 9.872 1.911 80 1HG PRO 11 2HG PRO 11 -5.155 8.614 -0.683 81 2HG PRO 11 3HG PRO 11 -5.521 10.246 -0.063 82 1HD PRO 11 2HD PRO 11 -3.541 9.782 -1.882 83 2HD PRO 11 3HD PRO 11 -3.365 11.046 -0.626 84 H PHE 12 H PHE 12 -3.486 7.247 -1.124 85 HA PHE 12 HA PHE 12 -4.153 4.761 -0.157 86 1HB PHE 12 2HB PHE 12 -4.295 5.926 -2.552 87 2HB PHE 12 3HB PHE 12 -2.861 4.983 -2.890 88 HD1 PHE 12 1HD PHE 12 -6.465 4.932 -2.030 89 HD2 PHE 12 2HD PHE 12 -3.049 2.537 -3.131 90 HE1 PHE 12 1HE PHE 12 -7.977 3.108 -2.755 91 HE2 PHE 12 2HE PHE 12 -4.561 0.720 -3.844 92 HZ PHE 12 HZ PHE 12 -7.047 1.046 -3.732 93 H THR 13 H THR 13 -0.940 5.511 -1.582 94 HA THR 13 HA THR 13 0.164 2.958 -1.061 95 HB THR 13 HB THR 13 1.054 4.798 -2.572 96 HG1 THR 13 1HG THR 13 2.790 3.355 -0.871 97 1HG2 THR 13 1HG2 THR 13 1.241 6.622 -0.857 98 2HG2 THR 13 2HG2 THR 13 2.542 5.702 -0.064 99 3HG2 THR 13 3HG2 THR 13 2.755 6.288 -1.716 100 H GLN 14 H GLN 14 -0.117 5.870 0.942 101 HA GLN 14 HA GLN 14 1.498 4.935 3.120 102 1HB GLN 14 2HB GLN 14 -0.046 7.302 2.430 103 2HB GLN 14 3HB GLN 14 -0.461 6.794 4.065 104 1HG GLN 14 2HG GLN 14 1.849 6.850 4.765 105 2HG GLN 14 3HG GLN 14 2.421 7.060 3.101 106 1HE2 GLN 14 2HE2 GLN 14 1.632 9.077 1.925 107 2HE2 GLN 14 1HE2 GLN 14 1.575 10.535 2.904 108 H ASN 15 H ASN 15 -1.962 4.712 2.347 109 HA ASN 15 HA ASN 15 -2.916 3.679 4.774 110 1HB ASN 15 2HB ASN 15 -3.945 4.134 2.165 111 2HB ASN 15 3HB ASN 15 -4.212 2.419 2.439 112 1HD2 ASN 15 2HD2 ASN 15 -5.604 1.789 4.286 113 2HD2 ASN 15 1HD2 ASN 15 -6.704 2.992 4.939 114 H LEU 16 H LEU 16 -1.706 1.967 1.900 115 HA LEU 16 HA LEU 16 -1.775 -0.726 3.065 116 1HB LEU 16 2HB LEU 16 -0.109 0.459 0.810 117 2HB LEU 16 3HB LEU 16 -0.295 -1.263 1.146 118 HG LEU 16 HG LEU 16 -2.867 0.286 0.771 119 1HD1 LEU 16 1HD1 LEU 16 -1.384 1.234 -0.998 120 2HD1 LEU 16 2HD1 LEU 16 -1.152 -0.411 -1.622 121 3HD1 LEU 16 3HD1 LEU 16 -2.765 0.317 -1.609 122 1HD2 LEU 16 1HD2 LEU 16 -1.919 -2.427 -0.160 123 2HD2 LEU 16 2HD2 LEU 16 -3.029 -2.049 1.191 124 3HD2 LEU 16 3HD2 LEU 16 -3.494 -1.670 -0.464 125 H ALA 17 H ALA 17 0.891 1.703 2.734 126 HA ALA 17 HA ALA 17 2.902 0.168 3.943 127 1HB ALA 17 1HB ALA 17 3.239 2.351 2.797 128 2HB ALA 17 2HB ALA 17 2.489 3.172 4.184 129 3HB ALA 17 3HB ALA 17 4.011 2.293 4.396 130 H LYS 18 H LYS 18 0.436 2.247 5.497 131 HA LYS 18 HA LYS 18 1.475 1.830 8.165 132 1HB LYS 18 2HB LYS 18 -0.624 3.447 6.927 133 2HB LYS 18 3HB LYS 18 -1.313 2.553 8.261 134 1HG LYS 18 2HG LYS 18 1.216 4.259 8.472 135 2HG LYS 18 3HG LYS 18 -0.430 4.801 8.841 136 1HD LYS 18 2HD LYS 18 -0.631 2.838 10.432 137 2HD LYS 18 3HD LYS 18 1.111 2.579 10.269 138 1HE LYS 18 2HE LYS 18 -0.066 5.286 11.074 139 2HE LYS 18 3HE LYS 18 0.214 4.022 12.273 140 1HZ LYS 18 1HZ LYS 18 2.463 4.093 11.918 141 2HZ LYS 18 2HZ LYS 18 2.354 4.940 10.508 142 3HZ LYS 18 3HZ LYS 18 2.011 5.672 11.943 143 H PHE 19 H PHE 19 -1.347 0.521 6.327 144 HA PHE 19 HA PHE 19 -2.379 -1.239 8.192 145 1HB PHE 19 2HB PHE 19 -3.269 -0.814 5.922 146 2HB PHE 19 3HB PHE 19 -1.942 -1.723 5.230 147 HD1 PHE 19 1HD PHE 19 -4.339 -2.532 8.077 148 HD2 PHE 19 2HD PHE 19 -2.908 -3.539 4.139 149 HE1 PHE 19 1HE PHE 19 -5.818 -4.556 8.025 150 HE2 PHE 19 2HE PHE 19 -4.328 -5.577 4.155 151 HZ PHE 19 HZ PHE 19 -5.883 -5.998 6.040 152 H ALA 20 H ALA 20 0.354 -1.817 5.964 153 HA ALA 20 HA ALA 20 1.112 -4.368 6.693 154 1HB ALA 20 1HB ALA 20 2.188 -3.094 4.889 155 2HB ALA 20 2HB ALA 20 3.080 -2.154 6.107 156 3HB ALA 20 3HB ALA 20 3.336 -3.896 5.974 157 H VAL 21 H VAL 21 2.447 -1.419 8.287 158 HA VAL 21 HA VAL 21 3.784 -3.111 10.227 159 HB VAL 21 HB VAL 21 3.347 -0.092 10.226 160 1HG1 VAL 21 1HG1 VAL 21 4.092 -1.052 12.464 161 2HG1 VAL 21 2HG1 VAL 21 5.409 -1.904 11.632 162 3HG1 VAL 21 3HG1 VAL 21 5.399 -0.136 11.706 163 1HG2 VAL 21 1HG2 VAL 21 5.312 -1.955 8.954 164 2HG2 VAL 21 2HG2 VAL 21 4.542 -0.520 8.258 165 3HG2 VAL 21 3HG2 VAL 21 5.879 -0.353 9.419 166 H ASP 22 H ASP 22 1.039 -0.859 10.359 167 HA ASP 22 HA ASP 22 0.266 -0.910 13.002 168 1HB ASP 22 2HB ASP 22 -0.724 0.462 11.195 169 2HB ASP 22 3HB ASP 22 -1.533 -0.957 10.528 170 H GLU 23 H GLU 23 -1.239 -3.083 10.467 171 HA GLU 23 HA GLU 23 -2.486 -4.602 12.478 172 1HB GLU 23 2HB GLU 23 -2.458 -4.441 9.605 173 2HB GLU 23 3HB GLU 23 -2.118 -6.121 10.058 174 1HG GLU 23 2HG GLU 23 -4.501 -5.704 9.779 175 2HG GLU 23 3HG GLU 23 -4.113 -6.112 11.474 176 H GLU 24 H GLU 24 0.629 -5.079 10.739 177 HA GLU 24 HA GLU 24 1.047 -7.677 11.771 178 1HB GLU 24 2HB GLU 24 2.430 -6.828 9.980 179 2HB GLU 24 3HB GLU 24 3.056 -5.518 11.003 180 1HG GLU 24 2HG GLU 24 4.607 -7.492 10.681 181 2HG GLU 24 3HG GLU 24 4.292 -7.007 12.357 182 H ASN 25 H ASN 25 1.651 -4.471 13.231 183 HA ASN 25 HA ASN 25 3.012 -5.481 15.546 184 1HB ASN 25 2HB ASN 25 2.764 -3.027 14.526 185 2HB ASN 25 3HB ASN 25 1.392 -2.923 15.616 186 1HD2 ASN 25 2HD2 ASN 25 4.835 -2.799 15.318 187 2HD2 ASN 25 1HD2 ASN 25 5.194 -2.653 17.030 188 H LYS 26 H LYS 26 -0.329 -4.473 14.886 189 HA LYS 26 HA LYS 26 -1.463 -4.930 17.417 190 1HB LYS 26 2HB LYS 26 -2.510 -3.622 15.688 191 2HB LYS 26 3HB LYS 26 -2.659 -5.020 14.626 192 1HG LYS 26 2HG LYS 26 -3.972 -5.256 17.306 193 2HG LYS 26 3HG LYS 26 -4.662 -4.071 16.187 194 1HD LYS 26 2HD LYS 26 -4.954 -5.709 14.434 195 2HD LYS 26 3HD LYS 26 -4.157 -6.969 15.387 196 1HE LYS 26 2HE LYS 26 -6.737 -5.569 16.218 197 2HE LYS 26 3HE LYS 26 -6.657 -7.120 15.368 198 1HZ LYS 26 1HZ LYS 26 -5.394 -8.002 17.191 199 2HZ LYS 26 2HZ LYS 26 -5.501 -6.578 18.009 200 3HZ LYS 26 3HZ LYS 26 -6.863 -7.452 17.698 201 H ILE 27 H ILE 27 -1.060 -7.195 14.682 202 HA ILE 27 HA ILE 27 -2.359 -9.390 16.154 203 HB ILE 27 HB ILE 27 -0.932 -9.276 13.476 204 1HG1 ILE 27 2HG1 ILE 27 -3.088 -7.999 13.551 205 2HG1 ILE 27 3HG1 ILE 27 -3.061 -9.341 12.417 206 1HG2 ILE 27 1HG2 ILE 27 -0.764 -11.512 14.362 207 2HG2 ILE 27 2HG2 ILE 27 -2.477 -11.554 14.777 208 3HG2 ILE 27 3HG2 ILE 27 -1.975 -11.504 13.068 209 1HD1 ILE 27 1HD1 ILE 27 -4.425 -10.718 13.905 210 2HD1 ILE 27 2HD1 ILE 27 -4.377 -9.468 15.169 211 3HD1 ILE 27 3HD1 ILE 27 -5.204 -9.156 13.636 212 H GLY 28 H GLY 28 0.960 -8.716 14.933 213 1HA GLY 28 2HA GLY 28 2.994 -9.352 15.734 214 2HA GLY 28 3HA GLY 28 2.221 -10.068 17.150 215 H GLN 29 H GLN 29 2.224 -10.692 13.588 216 HA GLN 29 HA GLN 29 2.545 -13.622 14.048 217 1HB GLN 29 2HB GLN 29 1.982 -11.922 11.611 218 2HB GLN 29 3HB GLN 29 2.572 -13.585 11.471 219 1HG GLN 29 2HG GLN 29 0.718 -14.531 12.567 220 2HG GLN 29 3HG GLN 29 0.102 -12.964 13.078 221 1HE2 GLN 29 2HE2 GLN 29 -0.113 -11.342 11.044 222 2HE2 GLN 29 1HE2 GLN 29 -0.915 -12.072 9.660 223 H TYR 30 H TYR 30 4.121 -11.266 11.860 224 HA TYR 30 HA TYR 30 6.681 -12.776 12.171 225 1HB TYR 30 2HB TYR 30 6.856 -11.044 9.921 226 2HB TYR 30 3HB TYR 30 6.839 -12.783 9.991 227 HD1 TYR 30 1HD TYR 30 4.954 -9.838 8.991 228 HD2 TYR 30 2HD TYR 30 4.675 -14.063 9.805 229 HE1 TYR 30 1HE TYR 30 2.750 -9.901 7.892 230 HE2 TYR 30 2HE TYR 30 2.438 -14.113 8.724 231 HH TYR 30 HH TYR 30 1.009 -11.271 7.161 232 H GLY 31 H GLY 31 5.928 -9.439 11.183 233 1HA GLY 31 2HA GLY 31 6.384 -7.638 12.954 234 2HA GLY 31 3HA GLY 31 7.959 -8.411 13.136 235 H ARG 32 H ARG 32 6.466 -5.893 11.520 236 HA ARG 32 HA ARG 32 7.804 -6.196 8.980 237 1HB ARG 32 2HB ARG 32 5.562 -5.080 9.488 238 2HB ARG 32 3HB ARG 32 6.469 -3.677 10.036 239 1HG ARG 32 2HG ARG 32 6.928 -4.907 7.276 240 2HG ARG 32 3HG ARG 32 5.501 -3.936 7.623 241 1HD ARG 32 2HD ARG 32 7.482 -2.238 8.499 242 2HD ARG 32 3HD ARG 32 8.315 -3.068 7.184 243 HE ARG 32 HE ARG 32 5.850 -2.422 6.111 244 1HH1 ARG 32 1HH2 ARG 32 8.462 -0.539 7.556 245 2HH1 ARG 32 2HH2 ARG 32 7.920 0.979 6.883 246 1HH2 ARG 32 1HH1 ARG 32 5.102 -0.453 5.283 247 2HH2 ARG 32 2HH1 ARG 32 6.029 1.005 5.493 248 H LEU 33 H LEU 33 9.775 -6.532 10.686 249 HA LEU 33 HA LEU 33 11.809 -5.756 11.464 250 1HB LEU 33 2HB LEU 33 11.572 -4.325 8.838 251 2HB LEU 33 3HB LEU 33 13.077 -4.763 9.660 252 HG LEU 33 HG LEU 33 12.753 -6.203 7.814 253 1HD1 LEU 33 1HD1 LEU 33 13.736 -7.147 9.934 254 2HD1 LEU 33 2HD1 LEU 33 12.141 -7.818 10.325 255 3HD1 LEU 33 3HD1 LEU 33 13.001 -8.368 8.876 256 1HD2 LEU 33 1HD2 LEU 33 10.251 -7.474 8.864 257 2HD2 LEU 33 2HD2 LEU 33 10.194 -6.110 7.728 258 3HD2 LEU 33 3HD2 LEU 33 11.013 -7.620 7.297 259 H THR 34 H THR 34 12.371 -2.836 10.065 260 HA THR 34 HA THR 34 11.028 -1.287 12.255 261 HB THR 34 HB THR 34 13.438 -1.465 12.686 262 HG1 THR 34 1HG THR 34 13.665 0.730 13.025 263 1HG2 THR 34 1HG2 THR 34 14.280 -1.571 10.329 264 2HG2 THR 34 2HG2 THR 34 13.820 0.131 10.112 265 3HG2 THR 34 3HG2 THR 34 15.069 -0.314 11.290 266 H PHE 35 H PHE 35 10.558 0.999 11.565 267 HA PHE 35 HA PHE 35 9.276 1.127 9.098 268 1HB PHE 35 2HB PHE 35 9.295 2.596 11.439 269 2HB PHE 35 3HB PHE 35 9.985 3.751 10.330 270 HD1 PHE 35 1HD PHE 35 7.224 1.344 10.859 271 HD2 PHE 35 2HD PHE 35 8.480 4.879 8.738 272 HE1 PHE 35 1HE PHE 35 4.950 1.699 10.149 273 HE2 PHE 35 2HE PHE 35 6.143 5.240 7.968 274 HZ PHE 35 HZ PHE 35 4.348 3.647 8.648 275 H ASN 36 H ASN 36 11.083 0.355 7.710 276 HA ASN 36 HA ASN 36 12.983 2.326 6.782 277 1HB ASN 36 2HB ASN 36 12.692 0.188 4.856 278 2HB ASN 36 3HB ASN 36 14.008 0.608 5.924 279 1HD2 ASN 36 2HD2 ASN 36 10.910 -1.231 5.781 280 2HD2 ASN 36 1HD2 ASN 36 11.135 -1.955 7.389 281 H LYS 37 H LYS 37 10.881 0.734 4.316 282 HA LYS 37 HA LYS 37 9.298 2.989 3.637 283 1HB LYS 37 2HB LYS 37 10.641 3.701 1.586 284 2HB LYS 37 3HB LYS 37 11.265 4.243 3.112 285 1HG LYS 37 2HG LYS 37 12.374 1.644 2.486 286 2HG LYS 37 3HG LYS 37 12.582 2.683 1.091 287 1HD LYS 37 2HD LYS 37 13.325 3.818 3.804 288 2HD LYS 37 3HD LYS 37 14.366 2.563 3.148 289 1HE LYS 37 2HE LYS 37 14.754 3.820 1.101 290 2HE LYS 37 3HE LYS 37 13.613 5.081 1.614 291 1HZ LYS 37 1HZ LYS 37 15.050 5.570 3.436 292 2HZ LYS 37 2HZ LYS 37 16.087 4.357 3.027 293 3HZ LYS 37 3HZ LYS 37 15.904 5.656 2.030 294 H VAL 38 H VAL 38 9.020 2.719 0.983 295 HA VAL 38 HA VAL 38 8.631 -0.149 0.359 296 HB VAL 38 HB VAL 38 6.609 0.790 1.333 297 1HG1 VAL 38 1HG1 VAL 38 5.516 2.705 0.711 298 2HG1 VAL 38 2HG1 VAL 38 7.130 3.225 0.218 299 3HG1 VAL 38 3HG1 VAL 38 6.007 2.591 -0.988 300 1HG2 VAL 38 1HG2 VAL 38 6.322 0.225 -1.644 301 2HG2 VAL 38 2HG2 VAL 38 6.254 -0.941 -0.305 302 3HG2 VAL 38 3HG2 VAL 38 4.985 0.272 -0.481 303 H ILE 39 H ILE 39 8.821 -0.596 -1.902 304 HA ILE 39 HA ILE 39 10.404 1.436 -3.323 305 HB ILE 39 HB ILE 39 10.676 -0.158 -5.076 306 1HG1 ILE 39 2HG1 ILE 39 9.603 -2.537 -4.398 307 2HG1 ILE 39 3HG1 ILE 39 8.278 -1.469 -3.881 308 1HG2 ILE 39 1HG2 ILE 39 12.035 -0.385 -3.016 309 2HG2 ILE 39 2HG2 ILE 39 10.887 -1.599 -2.405 310 3HG2 ILE 39 3HG2 ILE 39 11.810 -1.906 -3.888 311 1HD1 ILE 39 1HD1 ILE 39 8.278 -0.526 -6.242 312 2HD1 ILE 39 2HD1 ILE 39 9.537 -1.714 -6.646 313 3HD1 ILE 39 3HD1 ILE 39 7.920 -2.251 -6.156 314 H ARG 40 H ARG 40 9.717 1.739 -5.802 315 HA ARG 40 HA ARG 40 6.927 2.098 -6.192 316 1HB ARG 40 2HB ARG 40 7.126 4.654 -6.333 317 2HB ARG 40 3HB ARG 40 7.039 3.914 -4.742 318 1HG ARG 40 2HG ARG 40 9.845 4.058 -5.359 319 2HG ARG 40 3HG ARG 40 9.141 5.563 -5.917 320 1HD ARG 40 2HD ARG 40 8.674 4.346 -3.145 321 2HD ARG 40 3HD ARG 40 9.921 5.535 -3.466 322 HE ARG 40 HE ARG 40 7.060 5.975 -3.187 323 1HH1 ARG 40 1HH2 ARG 40 10.000 7.251 -4.654 324 2HH1 ARG 40 2HH2 ARG 40 9.414 8.887 -4.791 325 1HH2 ARG 40 1HH1 ARG 40 6.243 8.100 -3.392 326 2HH2 ARG 40 2HH1 ARG 40 7.226 9.371 -4.067 327 HA PRO 41 HA PRO 41 5.707 3.371 -7.784 328 1HB PRO 41 2HB PRO 41 4.569 2.703 -10.159 329 2HB PRO 41 3HB PRO 41 5.442 4.241 -9.905 330 1HG PRO 41 2HG PRO 41 6.512 1.701 -11.156 331 2HG PRO 41 3HG PRO 41 6.635 3.371 -11.784 332 1HD PRO 41 2HD PRO 41 8.653 2.164 -10.349 333 2HD PRO 41 3HD PRO 41 8.336 3.917 -10.224 334 H CYS 42 H CYS 42 3.756 1.857 -7.895 335 HA CYS 42 HA CYS 42 4.463 -1.012 -7.590 336 1HB CYS 42 2HB CYS 42 3.355 0.866 -5.487 337 2HB CYS 42 3HB CYS 42 2.835 -0.820 -5.535 338 HG CYS 42 HG CYS 42 5.907 0.510 -5.164 339 H MET 43 H MET 43 2.147 -2.273 -7.498 340 HA MET 43 HA MET 43 0.343 -0.915 -9.470 341 1HB MET 43 2HB MET 43 2.245 -1.878 -10.646 342 2HB MET 43 3HB MET 43 1.933 -3.450 -9.914 343 1HG MET 43 2HG MET 43 0.431 -3.952 -11.424 344 2HG MET 43 3HG MET 43 -0.466 -2.443 -11.306 345 1HE MET 43 1HE MET 43 -0.654 -0.846 -13.251 346 2HE MET 43 2HE MET 43 0.768 -0.158 -12.423 347 3HE MET 43 3HE MET 43 0.766 -0.350 -14.195 348 H LYS 44 H LYS 44 -1.750 -1.767 -9.631 349 HA LYS 44 HA LYS 44 -2.440 -3.917 -7.666 350 1HB LYS 44 2HB LYS 44 -4.280 -2.720 -6.900 351 2HB LYS 44 3HB LYS 44 -2.889 -1.640 -6.732 352 1HG LYS 44 2HG LYS 44 -3.706 -0.205 -8.449 353 2HG LYS 44 3HG LYS 44 -4.773 -1.456 -9.106 354 1HD LYS 44 2HD LYS 44 -6.101 -1.439 -6.960 355 2HD LYS 44 3HD LYS 44 -5.156 -0.038 -6.430 356 1HE LYS 44 2HE LYS 44 -5.918 1.214 -8.467 357 2HE LYS 44 3HE LYS 44 -6.832 -0.215 -8.996 358 1HZ LYS 44 1HZ LYS 44 -8.136 -0.052 -7.006 359 2HZ LYS 44 2HZ LYS 44 -7.322 1.308 -6.542 360 3HZ LYS 44 3HZ LYS 44 -8.239 1.319 -7.911 361 H LYS 45 H LYS 45 -4.800 -4.660 -8.048 362 HA LYS 45 HA LYS 45 -5.893 -4.292 -10.664 363 1HB LYS 45 2HB LYS 45 -5.693 -6.471 -11.590 364 2HB LYS 45 3HB LYS 45 -4.065 -5.948 -11.195 365 1HG LYS 45 2HG LYS 45 -5.779 -7.990 -9.715 366 2HG LYS 45 3HG LYS 45 -4.388 -8.284 -10.761 367 1HD LYS 45 2HD LYS 45 -3.033 -6.824 -9.110 368 2HD LYS 45 3HD LYS 45 -4.408 -6.992 -8.027 369 1HE LYS 45 2HE LYS 45 -2.738 -9.259 -9.250 370 2HE LYS 45 3HE LYS 45 -2.644 -8.704 -7.579 371 1HZ LYS 45 1HZ LYS 45 -4.942 -9.426 -7.334 372 2HZ LYS 45 2HZ LYS 45 -4.957 -9.964 -8.889 373 3HZ LYS 45 3HZ LYS 45 -3.959 -10.665 -7.780 374 H THR 46 H THR 46 -7.804 -6.042 -10.881 375 HA THR 46 HA THR 46 -8.929 -6.546 -8.172 376 HB THR 46 HB THR 46 -10.218 -4.913 -9.525 377 HG1 THR 46 1HG THR 46 -11.119 -6.405 -7.937 378 1HG2 THR 46 1HG2 THR 46 -9.898 -5.890 -11.799 379 2HG2 THR 46 2HG2 THR 46 -10.882 -7.285 -11.307 380 3HG2 THR 46 3HG2 THR 46 -11.607 -5.673 -11.367 381 H ILE 47 H ILE 47 -9.026 -8.627 -7.599 382 HA ILE 47 HA ILE 47 -8.477 -10.623 -9.736 383 HB ILE 47 HB ILE 47 -6.934 -10.624 -7.900 384 1HG1 ILE 47 2HG1 ILE 47 -8.714 -13.112 -7.850 385 2HG1 ILE 47 3HG1 ILE 47 -7.693 -12.692 -9.219 386 1HG2 ILE 47 1HG2 ILE 47 -8.337 -9.843 -6.063 387 2HG2 ILE 47 2HG2 ILE 47 -9.308 -11.330 -6.144 388 3HG2 ILE 47 3HG2 ILE 47 -7.607 -11.389 -5.642 389 1HD1 ILE 47 1HD1 ILE 47 -5.685 -12.696 -7.709 390 2HD1 ILE 47 2HD1 ILE 47 -6.716 -13.298 -6.394 391 3HD1 ILE 47 3HD1 ILE 47 -6.487 -14.270 -7.859 392 H TYR 48 H TYR 48 -9.682 -12.431 -9.963 393 HA TYR 48 HA TYR 48 -12.513 -12.352 -9.049 394 1HB TYR 48 2HB TYR 48 -11.229 -12.898 -11.755 395 2HB TYR 48 3HB TYR 48 -12.926 -13.122 -11.424 396 HD1 TYR 48 1HD TYR 48 -13.149 -10.435 -9.783 397 HD2 TYR 48 2HD TYR 48 -11.579 -11.455 -13.651 398 HE1 TYR 48 1HE TYR 48 -13.683 -8.161 -10.582 399 HE2 TYR 48 2HE TYR 48 -12.163 -9.205 -14.481 400 HH TYR 48 HH TYR 48 -13.725 -6.759 -12.382 401 H GLU 49 H GLU 49 -13.515 -14.432 -9.068 402 HA GLU 49 HA GLU 49 -13.591 -16.497 -8.217 403 1HB GLU 49 2HB GLU 49 -13.022 -18.122 -9.878 404 2HB GLU 49 3HB GLU 49 -13.901 -16.765 -10.569 405 1HG GLU 49 2HG GLU 49 -11.862 -15.902 -11.602 406 2HG GLU 49 3HG GLU 49 -10.870 -17.112 -10.777 407 H ASN 50 H ASN 50 -11.910 -15.517 -6.555 408 HA ASN 50 HA ASN 50 -9.790 -17.566 -6.205 409 1HB ASN 50 2HB ASN 50 -8.769 -15.672 -7.514 410 2HB ASN 50 3HB ASN 50 -9.099 -14.604 -6.141 411 1HD2 ASN 50 2HD2 ASN 50 -8.115 -15.377 -3.984 412 2HD2 ASN 50 1HD2 ASN 50 -6.495 -16.077 -4.087 413 H GLU 51 H GLU 51 -11.788 -17.893 -4.811 414 HA GLU 51 HA GLU 51 -10.881 -17.485 -2.202 415 1HB GLU 51 2HB GLU 51 -12.012 -15.277 -2.483 416 2HB GLU 51 3HB GLU 51 -13.494 -16.083 -2.946 417 1HG GLU 51 2HG GLU 51 -13.645 -15.364 -0.632 418 2HG GLU 51 3HG GLU 51 -13.576 -17.127 -0.635 419 H GLY 52 H GLY 52 -11.245 -19.464 -1.419 420 1HA GLY 52 2HA GLY 52 -12.255 -21.380 -0.764 421 2HA GLY 52 3HA GLY 52 -13.760 -20.856 -1.530 422 H PHE 53 H PHE 53 -13.157 -20.550 -4.068 423 HA PHE 53 HA PHE 53 -11.627 -22.597 -5.320 424 1HB PHE 53 2HB PHE 53 -13.365 -24.101 -4.375 425 2HB PHE 53 3HB PHE 53 -14.616 -23.160 -5.174 426 HD1 PHE 53 1HD PHE 53 -15.499 -24.218 -7.101 427 HD2 PHE 53 2HD PHE 53 -11.356 -24.863 -6.065 428 HE1 PHE 53 1HE PHE 53 -15.282 -25.846 -8.950 429 HE2 PHE 53 2HE PHE 53 -11.143 -26.463 -7.942 430 HZ PHE 53 HZ PHE 53 -13.109 -26.975 -9.375 431 H ARG 54 H ARG 54 -14.659 -20.896 -5.728 432 HA ARG 54 HA ARG 54 -13.599 -19.430 -8.048 433 1HB ARG 54 2HB ARG 54 -14.520 -21.743 -8.821 434 2HB ARG 54 3HB ARG 54 -16.124 -21.082 -8.469 435 1HG ARG 54 2HG ARG 54 -15.462 -19.114 -10.017 436 2HG ARG 54 3HG ARG 54 -14.015 -20.065 -10.406 437 1HD ARG 54 2HD ARG 54 -15.708 -21.972 -10.988 438 2HD ARG 54 3HD ARG 54 -16.907 -20.678 -11.097 439 HE ARG 54 HE ARG 54 -14.837 -21.386 -12.964 440 1HH1 ARG 54 1HH2 ARG 54 -16.530 -18.538 -11.749 441 2HH1 ARG 54 2HH2 ARG 54 -16.080 -17.523 -13.098 442 1HH2 ARG 54 1HH1 ARG 54 -14.234 -20.087 -14.708 443 2HH2 ARG 54 2HH1 ARG 54 -14.712 -18.416 -14.789 444 H GLU 55 H GLU 55 -14.129 -18.206 -5.760 445 HA GLU 55 HA GLU 55 -16.734 -16.830 -6.236 446 1HB GLU 55 2HB GLU 55 -16.311 -18.288 -4.063 447 2HB GLU 55 3HB GLU 55 -15.361 -16.901 -3.558 448 1HG GLU 55 2HG GLU 55 -17.541 -16.620 -2.654 449 2HG GLU 55 3HG GLU 55 -17.441 -15.463 -3.987 450 H ILE 56 H ILE 56 -16.750 -14.597 -6.208 451 HA ILE 56 HA ILE 56 -14.318 -13.314 -7.081 452 HB ILE 56 HB ILE 56 -16.986 -12.112 -6.228 453 1HG1 ILE 56 2HG1 ILE 56 -16.659 -11.916 -9.037 454 2HG1 ILE 56 3HG1 ILE 56 -16.158 -13.562 -8.659 455 1HG2 ILE 56 1HG2 ILE 56 -15.223 -10.417 -6.169 456 2HG2 ILE 56 2HG2 ILE 56 -14.669 -10.896 -7.787 457 3HG2 ILE 56 3HG2 ILE 56 -16.265 -10.148 -7.564 458 1HD1 ILE 56 1HD1 ILE 56 -18.328 -13.906 -7.445 459 2HD1 ILE 56 2HD1 ILE 56 -18.794 -12.241 -7.862 460 3HD1 ILE 56 3HD1 ILE 56 -18.565 -13.449 -9.142 461 H LYS 57 H LYS 57 -12.811 -12.248 -5.873 462 HA LYS 57 HA LYS 57 -13.227 -12.181 -2.960 463 1HB LYS 57 2HB LYS 57 -11.259 -13.343 -4.244 464 2HB LYS 57 3HB LYS 57 -10.535 -11.733 -4.238 465 1HG LYS 57 2HG LYS 57 -11.610 -13.158 -1.754 466 2HG LYS 57 3HG LYS 57 -9.939 -13.310 -2.298 467 1HD LYS 57 2HD LYS 57 -9.442 -11.049 -1.898 468 2HD LYS 57 3HD LYS 57 -11.141 -10.573 -1.837 469 1HE LYS 57 2HE LYS 57 -11.449 -11.971 0.220 470 2HE LYS 57 3HE LYS 57 -9.685 -12.140 0.308 471 1HZ LYS 57 1HZ LYS 57 -9.506 -9.840 0.610 472 2HZ LYS 57 2HZ LYS 57 -11.035 -9.545 0.073 473 3HZ LYS 57 3HZ LYS 57 -10.806 -10.258 1.536 474 H GLY 58 H GLY 58 -11.590 -10.015 -5.428 475 1HA GLY 58 2HA GLY 58 -12.970 -7.751 -5.346 476 2HA GLY 58 3HA GLY 58 -12.292 -7.703 -3.715 477 H TYR 59 H TYR 59 -11.086 -5.911 -4.071 478 HA TYR 59 HA TYR 59 -9.233 -5.669 -6.297 479 1HB TYR 59 2HB TYR 59 -9.671 -3.982 -3.802 480 2HB TYR 59 3HB TYR 59 -8.260 -3.772 -4.782 481 HD1 TYR 59 1HD TYR 59 -8.592 -3.588 -7.346 482 HD2 TYR 59 2HD TYR 59 -11.763 -2.905 -4.529 483 HE1 TYR 59 1HE TYR 59 -9.799 -2.261 -9.057 484 HE2 TYR 59 2HE TYR 59 -13.022 -1.652 -6.266 485 HH TYR 59 HH TYR 59 -11.722 -1.089 -9.549 486 H GLU 60 H GLU 60 -6.908 -5.578 -6.125 487 HA GLU 60 HA GLU 60 -5.741 -6.684 -3.713 488 1HB GLU 60 2HB GLU 60 -6.022 -8.308 -6.067 489 2HB GLU 60 3HB GLU 60 -4.358 -7.694 -6.005 490 1HG GLU 60 2HG GLU 60 -4.631 -8.596 -3.424 491 2HG GLU 60 3HG GLU 60 -5.616 -9.751 -4.345 492 H TYR 61 H TYR 61 -3.700 -5.868 -3.389 493 HA TYR 61 HA TYR 61 -2.682 -3.779 -5.280 494 1HB TYR 61 2HB TYR 61 -2.539 -3.687 -2.262 495 2HB TYR 61 3HB TYR 61 -2.171 -2.406 -3.409 496 HD1 TYR 61 1HD TYR 61 -4.548 -3.625 -1.177 497 HD2 TYR 61 2HD TYR 61 -4.227 -1.695 -4.963 498 HE1 TYR 61 1HE TYR 61 -6.772 -2.556 -0.820 499 HE2 TYR 61 2HE TYR 61 -6.614 -0.986 -4.812 500 HH TYR 61 HH TYR 61 -8.291 -0.976 -1.720 501 H GLN 62 H GLN 62 -0.748 -4.578 -6.114 502 HA GLN 62 HA GLN 62 0.774 -6.492 -4.430 503 1HB GLN 62 2HB GLN 62 -0.166 -7.240 -6.615 504 2HB GLN 62 3HB GLN 62 0.929 -6.105 -7.428 505 1HG GLN 62 2HG GLN 62 2.868 -7.259 -6.703 506 2HG GLN 62 3HG GLN 62 2.019 -8.095 -5.397 507 1HE2 GLN 62 2HE2 GLN 62 0.019 -9.480 -6.267 508 2HE2 GLN 62 1HE2 GLN 62 0.489 -10.555 -7.571 509 H LEU 63 H LEU 63 2.218 -5.387 -3.285 510 HA LEU 63 HA LEU 63 3.997 -3.451 -4.662 511 1HB LEU 63 2HB LEU 63 3.764 -1.884 -2.748 512 2HB LEU 63 3HB LEU 63 2.313 -2.129 -3.712 513 HG LEU 63 HG LEU 63 1.635 -3.864 -1.850 514 1HD1 LEU 63 1HD1 LEU 63 3.831 -3.784 -0.637 515 2HD1 LEU 63 2HD1 LEU 63 3.567 -2.068 -0.308 516 3HD1 LEU 63 3HD1 LEU 63 2.471 -3.285 0.383 517 1HD2 LEU 63 1HD2 LEU 63 1.480 -1.082 -0.786 518 2HD2 LEU 63 2HD2 LEU 63 0.795 -1.375 -2.391 519 3HD2 LEU 63 3HD2 LEU 63 0.236 -2.329 -1.018 520 H TYR 64 H TYR 64 5.770 -2.831 -2.985 521 HA TYR 64 HA TYR 64 6.883 -5.346 -1.854 522 1HB TYR 64 2HB TYR 64 7.652 -3.654 -4.191 523 2HB TYR 64 3HB TYR 64 8.954 -4.199 -3.133 524 HD1 TYR 64 1HD TYR 64 8.855 -6.798 -2.510 525 HD2 TYR 64 2HD TYR 64 7.090 -5.023 -6.022 526 HE1 TYR 64 1HE TYR 64 8.908 -8.984 -3.642 527 HE2 TYR 64 2HE TYR 64 7.204 -7.214 -7.178 528 HH TYR 64 HH TYR 64 8.402 -10.163 -5.589 529 H VAL 65 H VAL 65 7.143 -4.856 0.207 530 HA VAL 65 HA VAL 65 7.715 -2.081 1.107 531 HB VAL 65 HB VAL 65 7.047 -4.702 2.482 532 1HG1 VAL 65 1HG1 VAL 65 8.731 -3.573 3.880 533 2HG1 VAL 65 2HG1 VAL 65 7.802 -2.059 3.804 534 3HG1 VAL 65 3HG1 VAL 65 7.131 -3.504 4.604 535 1HG2 VAL 65 1HG2 VAL 65 5.684 -1.964 2.396 536 2HG2 VAL 65 2HG2 VAL 65 5.167 -3.403 1.493 537 3HG2 VAL 65 3HG2 VAL 65 5.090 -3.394 3.262 538 H TYR 66 H TYR 66 9.806 -1.438 1.590 539 HA TYR 66 HA TYR 66 11.965 -3.383 1.166 540 1HB TYR 66 2HB TYR 66 12.022 -1.024 0.169 541 2HB TYR 66 3HB TYR 66 12.080 -0.430 1.806 542 HD1 TYR 66 1HD TYR 66 14.039 -3.372 0.612 543 HD2 TYR 66 2HD TYR 66 14.193 0.692 1.896 544 HE1 TYR 66 1HE TYR 66 16.343 -3.197 -0.289 545 HE2 TYR 66 2HE TYR 66 16.550 0.835 1.195 546 HH TYR 66 HH TYR 66 18.331 -1.867 -0.050 547 H ALA 67 H ALA 67 12.661 -4.459 3.022 548 HA ALA 67 HA ALA 67 12.852 -2.941 5.486 549 1HB ALA 67 1HB ALA 67 10.422 -3.944 5.330 550 2HB ALA 67 2HB ALA 67 11.222 -5.492 5.660 551 3HB ALA 67 3HB ALA 67 11.347 -4.154 6.801 552 H SER 68 H SER 68 14.254 -3.904 7.038 553 HA SER 68 HA SER 68 16.372 -4.696 7.273 554 1HB SER 68 2HB SER 68 14.905 -6.584 7.958 555 2HB SER 68 3HB SER 68 15.163 -7.324 6.366 556 HG SER 68 HG SER 68 17.191 -6.659 8.262 557 H ASP 69 H ASP 69 15.980 -3.551 4.601 558 HA ASP 69 HA ASP 69 16.857 -3.389 2.565 559 1HB ASP 69 2HB ASP 69 18.942 -3.198 3.857 560 2HB ASP 69 3HB ASP 69 19.189 -4.944 3.715 561 H LYS 70 H LYS 70 15.020 -5.589 2.937 562 HA LYS 70 HA LYS 70 15.684 -7.030 0.430 563 1HB LYS 70 2HB LYS 70 14.216 -8.191 2.848 564 2HB LYS 70 3HB LYS 70 14.181 -8.858 1.223 565 1HG LYS 70 2HG LYS 70 15.706 -10.192 2.229 566 2HG LYS 70 3HG LYS 70 16.746 -9.062 1.345 567 1HD LYS 70 2HD LYS 70 17.365 -7.923 3.328 568 2HD LYS 70 3HD LYS 70 15.968 -8.530 4.234 569 1HE LYS 70 2HE LYS 70 17.075 -10.887 3.920 570 2HE LYS 70 3HE LYS 70 18.534 -9.963 3.508 571 1HZ LYS 70 1HZ LYS 70 18.267 -8.841 5.644 572 2HZ LYS 70 2HZ LYS 70 16.963 -9.780 5.987 573 3HZ LYS 70 3HZ LYS 70 18.448 -10.474 5.824 574 H LEU 71 H LEU 71 13.732 -7.499 -0.790 575 HA LEU 71 HA LEU 71 11.614 -5.418 -0.444 576 1HB LEU 71 2HB LEU 71 12.951 -6.865 -2.712 577 2HB LEU 71 3HB LEU 71 11.238 -6.509 -2.888 578 HG LEU 71 HG LEU 71 11.571 -4.163 -2.796 579 1HD1 LEU 71 1HD1 LEU 71 12.811 -3.667 -1.043 580 2HD1 LEU 71 2HD1 LEU 71 14.255 -4.591 -1.590 581 3HD1 LEU 71 3HD1 LEU 71 13.757 -3.086 -2.408 582 1HD2 LEU 71 1HD2 LEU 71 14.135 -4.835 -4.109 583 2HD2 LEU 71 2HD2 LEU 71 12.649 -5.570 -4.784 584 3HD2 LEU 71 3HD2 LEU 71 12.824 -3.795 -4.675 585 H PHE 72 H PHE 72 10.327 -6.364 1.122 586 HA PHE 72 HA PHE 72 9.582 -9.214 0.895 587 1HB PHE 72 2HB PHE 72 8.787 -6.947 2.742 588 2HB PHE 72 3HB PHE 72 8.078 -8.534 2.823 589 HD1 PHE 72 1HD PHE 72 10.880 -6.574 3.749 590 HD2 PHE 72 2HD PHE 72 9.552 -10.606 3.230 591 HE1 PHE 72 1HE PHE 72 12.739 -7.394 5.288 592 HE2 PHE 72 2HE PHE 72 11.406 -11.416 4.688 593 HZ PHE 72 HZ PHE 72 13.028 -9.809 5.645 594 H ARG 73 H ARG 73 8.014 -9.869 -0.502 595 HA ARG 73 HA ARG 73 6.537 -7.984 -2.073 596 1HB ARG 73 2HB ARG 73 7.235 -10.415 -2.684 597 2HB ARG 73 3HB ARG 73 5.852 -10.918 -1.702 598 1HG ARG 73 2HG ARG 73 4.363 -9.491 -3.166 599 2HG ARG 73 3HG ARG 73 5.780 -9.104 -4.152 600 1HD ARG 73 2HD ARG 73 6.104 -11.621 -4.481 601 2HD ARG 73 3HD ARG 73 4.532 -11.850 -3.676 602 HE ARG 73 HE ARG 73 4.258 -9.999 -5.840 603 1HH1 ARG 73 1HH2 ARG 73 4.830 -13.433 -5.235 604 2HH1 ARG 73 2HH2 ARG 73 4.226 -13.955 -6.784 605 1HH2 ARG 73 1HH1 ARG 73 3.417 -10.686 -7.888 606 2HH2 ARG 73 2HH1 ARG 73 3.451 -12.374 -8.312 607 H ALA 74 H ALA 74 4.354 -7.299 -1.789 608 HA ALA 74 HA ALA 74 2.854 -8.597 0.369 609 1HB ALA 74 1HB ALA 74 3.865 -6.955 1.678 610 2HB ALA 74 2HB ALA 74 3.759 -5.731 0.411 611 3HB ALA 74 3HB ALA 74 2.291 -6.239 1.259 612 H ASP 75 H ASP 75 1.027 -9.200 -0.481 613 HA ASP 75 HA ASP 75 -0.254 -7.654 -2.673 614 1HB ASP 75 2HB ASP 75 -1.221 -9.884 -3.230 615 2HB ASP 75 3HB ASP 75 0.501 -9.674 -3.574 616 H ILE 76 H ILE 76 -1.550 -6.358 -1.301 617 HA ILE 76 HA ILE 76 -3.158 -7.714 0.834 618 HB ILE 76 HB ILE 76 -2.716 -4.835 0.014 619 1HG1 ILE 76 2HG1 ILE 76 -2.333 -5.984 2.782 620 2HG1 ILE 76 3HG1 ILE 76 -1.187 -6.441 1.526 621 1HG2 ILE 76 1HG2 ILE 76 -5.070 -4.910 0.634 622 2HG2 ILE 76 2HG2 ILE 76 -4.724 -5.955 2.010 623 3HG2 ILE 76 3HG2 ILE 76 -4.180 -4.259 2.009 624 1HD1 ILE 76 1HD1 ILE 76 -0.586 -4.149 1.072 625 2HD1 ILE 76 2HD1 ILE 76 -1.808 -3.555 2.215 626 3HD1 ILE 76 3HD1 ILE 76 -0.418 -4.462 2.807 627 H SER 77 H SER 77 -5.351 -8.178 0.610 628 HA SER 77 HA SER 77 -6.588 -7.669 -2.046 629 1HB SER 77 2HB SER 77 -6.907 -9.802 0.032 630 2HB SER 77 3HB SER 77 -8.232 -9.404 -1.058 631 HG SER 77 HG SER 77 -6.902 -9.796 -2.819 632 H GLU 78 H GLU 78 -8.943 -7.147 -2.010 633 HA GLU 78 HA GLU 78 -9.855 -6.108 0.577 634 1HB GLU 78 2HB GLU 78 -10.557 -5.107 -2.214 635 2HB GLU 78 3HB GLU 78 -11.353 -4.586 -0.740 636 1HG GLU 78 2HG GLU 78 -8.974 -3.953 0.115 637 2HG GLU 78 3HG GLU 78 -8.530 -4.020 -1.604 638 H ASP 79 H ASP 79 -12.171 -6.011 0.805 639 HA ASP 79 HA ASP 79 -13.448 -8.548 -0.033 640 1HB ASP 79 2HB ASP 79 -13.389 -7.759 2.372 641 2HB ASP 79 3HB ASP 79 -14.446 -6.422 1.917 642 H TYR 80 H TYR 80 -14.117 -8.196 -2.170 643 HA TYR 80 HA TYR 80 -15.330 -6.158 -3.447 644 1HB TYR 80 2HB TYR 80 -14.959 -8.317 -4.485 645 2HB TYR 80 3HB TYR 80 -16.105 -9.088 -3.393 646 HD1 TYR 80 1HD TYR 80 -17.891 -9.905 -4.667 647 HD2 TYR 80 2HD TYR 80 -16.351 -5.964 -5.528 648 HE1 TYR 80 1HE TYR 80 -19.806 -9.474 -6.180 649 HE2 TYR 80 2HE TYR 80 -18.298 -5.517 -6.967 650 HH TYR 80 HH TYR 80 -20.292 -6.325 -7.793 651 H LYS 81 H LYS 81 -16.959 -8.014 -0.860 652 HA LYS 81 HA LYS 81 -19.630 -7.312 -1.186 653 1HB LYS 81 2HB LYS 81 -18.532 -8.708 0.660 654 2HB LYS 81 3HB LYS 81 -18.016 -7.194 1.407 655 1HG LYS 81 2HG LYS 81 -19.923 -7.982 2.557 656 2HG LYS 81 3HG LYS 81 -20.445 -6.541 1.675 657 1HD LYS 81 2HD LYS 81 -21.498 -7.914 -0.056 658 2HD LYS 81 3HD LYS 81 -20.740 -9.376 0.609 659 1HE LYS 81 2HE LYS 81 -22.087 -8.743 2.808 660 2HE LYS 81 3HE LYS 81 -23.066 -7.771 1.696 661 1HZ LYS 81 1HZ LYS 81 -23.403 -9.808 0.420 662 2HZ LYS 81 2HZ LYS 81 -22.526 -10.656 1.526 663 3HZ LYS 81 3HZ LYS 81 -23.949 -9.959 1.969 664 H THR 82 H THR 82 -16.973 -5.417 -0.261 665 HA THR 82 HA THR 82 -18.330 -2.829 -0.341 666 HB THR 82 HB THR 82 -17.278 -4.029 2.259 667 HG1 THR 82 1HG THR 82 -19.662 -3.852 1.186 668 1HG2 THR 82 1HG2 THR 82 -16.482 -1.818 2.467 669 2HG2 THR 82 2HG2 THR 82 -17.823 -1.175 1.478 670 3HG2 THR 82 3HG2 THR 82 -18.106 -1.758 3.149 671 H ARG 83 H ARG 83 -15.389 -3.091 1.556 672 HA ARG 83 HA ARG 83 -13.387 -2.884 -0.381 673 1HB ARG 83 2HB ARG 83 -14.972 -0.440 0.034 674 2HB ARG 83 3HB ARG 83 -13.281 -0.164 0.346 675 1HG ARG 83 2HG ARG 83 -13.456 -1.662 -2.120 676 2HG ARG 83 3HG ARG 83 -14.633 -0.363 -2.184 677 1HD ARG 83 2HD ARG 83 -11.741 0.096 -1.318 678 2HD ARG 83 3HD ARG 83 -12.200 0.110 -3.006 679 HE ARG 83 HE ARG 83 -12.753 2.142 -0.983 680 1HH1 ARG 83 1HH2 ARG 83 -13.817 0.838 -4.083 681 2HH1 ARG 83 2HH2 ARG 83 -14.475 2.343 -4.667 682 1HH2 ARG 83 1HH1 ARG 83 -13.649 4.118 -1.705 683 2HH2 ARG 83 2HH1 ARG 83 -14.402 4.233 -3.272 684 H GLY 84 H GLY 84 -13.950 -4.116 2.156 685 1HA GLY 84 2HA GLY 84 -12.223 -2.857 4.160 686 2HA GLY 84 3HA GLY 84 -12.952 -4.477 4.219 687 H ARG 85 H ARG 85 -10.132 -4.035 4.705 688 HA ARG 85 HA ARG 85 -8.844 -5.217 2.288 689 1HB ARG 85 2HB ARG 85 -6.748 -4.472 3.768 690 2HB ARG 85 3HB ARG 85 -7.443 -3.474 2.509 691 1HG ARG 85 2HG ARG 85 -8.397 -3.236 5.382 692 2HG ARG 85 3HG ARG 85 -6.923 -2.448 4.830 693 1HD ARG 85 2HD ARG 85 -8.005 -0.888 3.528 694 2HD ARG 85 3HD ARG 85 -9.248 -2.011 3.012 695 HE ARG 85 HE ARG 85 -10.640 -1.156 4.523 696 1HH1 ARG 85 1HH2 ARG 85 -7.381 -0.619 5.751 697 2HH1 ARG 85 2HH2 ARG 85 -7.891 0.330 7.124 698 1HH2 ARG 85 1HH1 ARG 85 -11.338 0.048 6.315 699 2HH2 ARG 85 2HH1 ARG 85 -10.194 0.710 7.449 700 H LYS 86 H LYS 86 -7.744 -7.153 2.495 701 HA LYS 86 HA LYS 86 -7.792 -8.460 5.180 702 1HB LYS 86 2HB LYS 86 -8.057 -9.686 2.430 703 2HB LYS 86 3HB LYS 86 -7.681 -10.617 3.877 704 1HG LYS 86 2HG LYS 86 -10.240 -8.996 3.496 705 2HG LYS 86 3HG LYS 86 -10.022 -10.732 3.230 706 1HD LYS 86 2HD LYS 86 -11.034 -10.699 5.236 707 2HD LYS 86 3HD LYS 86 -9.349 -11.001 5.652 708 1HE LYS 86 2HE LYS 86 -9.152 -8.926 6.751 709 2HE LYS 86 3HE LYS 86 -10.352 -8.141 5.703 710 1HZ LYS 86 1HZ LYS 86 -12.044 -9.330 6.844 711 2HZ LYS 86 2HZ LYS 86 -10.942 -10.115 7.787 712 3HZ LYS 86 3HZ LYS 86 -11.129 -8.483 7.919 713 H LEU 87 H LEU 87 -5.993 -9.020 6.016 714 HA LEU 87 HA LEU 87 -3.443 -8.372 5.038 715 1HB LEU 87 2HB LEU 87 -4.373 -8.933 7.409 716 2HB LEU 87 3HB LEU 87 -4.016 -10.615 7.032 717 HG LEU 87 HG LEU 87 -2.115 -8.266 7.027 718 1HD1 LEU 87 1HD1 LEU 87 -2.849 -8.884 9.283 719 2HD1 LEU 87 2HD1 LEU 87 -2.397 -10.574 8.984 720 3HD1 LEU 87 3HD1 LEU 87 -1.144 -9.316 9.063 721 1HD2 LEU 87 1HD2 LEU 87 -1.393 -11.195 6.667 722 2HD2 LEU 87 2HD2 LEU 87 -1.269 -9.929 5.424 723 3HD2 LEU 87 3HD2 LEU 87 -0.264 -9.828 6.859 724 H LEU 88 H LEU 88 -3.074 -9.187 2.942 725 HA LEU 88 HA LEU 88 -2.198 -12.046 2.933 726 1HB LEU 88 2HB LEU 88 -3.626 -10.488 0.786 727 2HB LEU 88 3HB LEU 88 -2.665 -11.925 0.403 728 HG LEU 88 HG LEU 88 -5.106 -11.821 2.226 729 1HD1 LEU 88 1HD1 LEU 88 -6.262 -12.925 0.419 730 2HD1 LEU 88 2HD1 LEU 88 -5.431 -11.518 -0.269 731 3HD1 LEU 88 3HD1 LEU 88 -4.754 -13.130 -0.505 732 1HD2 LEU 88 1HD2 LEU 88 -3.369 -14.166 1.310 733 2HD2 LEU 88 2HD2 LEU 88 -3.671 -13.665 2.989 734 3HD2 LEU 88 3HD2 LEU 88 -4.983 -14.343 2.027 735 H ARG 89 H ARG 89 -1.141 -8.975 3.083 736 HA ARG 89 HA ARG 89 1.063 -8.952 1.386 737 1HB ARG 89 2HB ARG 89 2.120 -7.494 3.229 738 2HB ARG 89 3HB ARG 89 0.627 -6.925 2.530 739 1HG ARG 89 2HG ARG 89 -0.634 -7.785 4.473 740 2HG ARG 89 3HG ARG 89 0.892 -8.339 5.193 741 1HD ARG 89 2HD ARG 89 1.526 -6.214 5.708 742 2HD ARG 89 3HD ARG 89 0.952 -5.518 4.217 743 HE ARG 89 HE ARG 89 -1.075 -4.966 5.104 744 1HH1 ARG 89 1HH2 ARG 89 0.760 -6.957 7.392 745 2HH1 ARG 89 2HH2 ARG 89 -0.457 -6.918 8.629 746 1HH2 ARG 89 1HH1 ARG 89 -2.769 -5.089 6.677 747 2HH2 ARG 89 2HH1 ARG 89 -2.548 -5.953 8.156 748 H PHE 90 H PHE 90 3.345 -8.999 2.172 749 HA PHE 90 HA PHE 90 5.135 -9.762 3.216 750 1HB PHE 90 2HB PHE 90 3.184 -9.765 5.182 751 2HB PHE 90 3HB PHE 90 3.812 -11.382 5.316 752 HD1 PHE 90 1HD PHE 90 4.290 -7.818 5.731 753 HD2 PHE 90 2HD PHE 90 6.366 -11.589 5.798 754 HE1 PHE 90 1HE PHE 90 5.870 -6.915 7.420 755 HE2 PHE 90 2HE PHE 90 8.146 -10.581 7.215 756 HZ PHE 90 HZ PHE 90 7.896 -8.273 8.053 757 H ASN 91 H ASN 91 5.427 -10.919 1.229 758 HA ASN 91 HA ASN 91 5.429 -13.869 1.584 759 1HB ASN 91 2HB ASN 91 3.591 -12.437 -0.059 760 2HB ASN 91 3HB ASN 91 4.788 -13.088 -1.172 761 1HD2 ASN 91 2HD2 ASN 91 5.088 -15.472 -1.252 762 2HD2 ASN 91 1HD2 ASN 91 3.826 -16.491 -0.582 763 H GLY 92 H GLY 92 6.783 -14.972 0.084 764 1HA GLY 92 2HA GLY 92 8.505 -15.001 -1.588 765 2HA GLY 92 3HA GLY 92 9.058 -13.415 -1.080 766 HA PRO 93 HA PRO 93 10.091 -12.377 0.699 767 1HB PRO 93 2HB PRO 93 12.617 -11.949 1.577 768 2HB PRO 93 3HB PRO 93 11.296 -12.464 2.668 769 1HG PRO 93 2HG PRO 93 13.358 -14.261 1.368 770 2HG PRO 93 3HG PRO 93 12.950 -14.150 3.107 771 1HD PRO 93 2HD PRO 93 11.805 -16.021 1.473 772 2HD PRO 93 3HD PRO 93 10.860 -15.237 2.768 773 H VAL 94 H VAL 94 11.492 -10.867 -0.647 774 HA VAL 94 HA VAL 94 12.610 -12.287 -3.004 775 HB VAL 94 HB VAL 94 10.641 -10.101 -2.701 776 1HG1 VAL 94 1HG1 VAL 94 12.331 -8.791 -3.871 777 2HG1 VAL 94 2HG1 VAL 94 12.601 -10.109 -5.029 778 3HG1 VAL 94 3HG1 VAL 94 11.057 -9.237 -4.990 779 1HG2 VAL 94 1HG2 VAL 94 10.972 -12.183 -4.820 780 2HG2 VAL 94 2HG2 VAL 94 10.070 -12.391 -3.291 781 3HG2 VAL 94 3HG2 VAL 94 9.555 -11.172 -4.458 782 HA PRO 95 HA PRO 95 16.228 -9.917 -1.780 783 1HB PRO 95 2HB PRO 95 17.951 -10.640 -3.777 784 2HB PRO 95 3HB PRO 95 17.483 -11.759 -2.463 785 1HG PRO 95 2HG PRO 95 16.307 -11.576 -5.248 786 2HG PRO 95 3HG PRO 95 16.860 -13.044 -4.390 787 1HD PRO 95 2HD PRO 95 14.248 -12.264 -4.470 788 2HD PRO 95 3HD PRO 95 14.930 -13.062 -3.018 789 HA PRO 96 HA PRO 96 15.470 -6.466 -4.406 790 1HB PRO 96 2HB PRO 96 17.639 -4.812 -3.978 791 2HB PRO 96 3HB PRO 96 16.425 -5.166 -2.713 792 1HG PRO 96 2HG PRO 96 19.097 -6.528 -3.138 793 2HG PRO 96 3HG PRO 96 18.438 -5.866 -1.611 794 1HD PRO 96 2HD PRO 96 18.249 -8.518 -2.261 795 2HD PRO 96 3HD PRO 96 16.937 -7.678 -1.383 796 HA PRO 97 HA PRO 97 17.465 -7.285 -8.272 797 1HB PRO 97 2HB PRO 97 17.086 -4.982 -9.701 798 2HB PRO 97 3HB PRO 97 15.743 -6.071 -9.244 799 1HG PRO 97 2HG PRO 97 16.643 -3.556 -7.808 800 2HG PRO 97 3HG PRO 97 14.981 -3.997 -8.305 801 1HD PRO 97 2HD PRO 97 15.892 -4.442 -5.780 802 2HD PRO 97 3HD PRO 97 14.814 -5.625 -6.585
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