NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
17198 | 2bjc | 7354 | cing | 1-original | 8 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 -2.265 14.526 3.283 2 H2 MET 1 H2 MET 1 -2.587 14.301 4.932 3 H3 MET 1 H3 MET 1 -3.079 15.723 4.157 4 HA MET 1 HA MET 1 -0.813 16.389 3.802 5 1HB MET 1 1HB MET 1 -1.745 17.157 5.862 6 2HB MET 1 2HB MET 1 -1.540 15.584 6.619 7 1HG MET 1 1HG MET 1 0.991 16.006 6.158 8 2HG MET 1 2HG MET 1 0.491 17.691 6.044 9 1HE MET 1 1HE MET 1 2.158 18.284 7.974 10 2HE MET 1 2HE MET 1 2.131 17.556 9.577 11 3HE MET 1 3HE MET 1 2.644 16.605 8.183 12 H LYS 2 H LYS 2 1.226 15.798 3.428 13 HA LYS 2 HA LYS 2 2.122 13.180 4.435 14 1HB LYS 2 1HB LYS 2 1.650 12.910 2.081 15 2HB LYS 2 2HB LYS 2 2.556 14.366 1.690 16 1HG LYS 2 1HG LYS 2 4.513 13.042 2.860 17 2HG LYS 2 2HG LYS 2 3.533 11.651 2.393 18 1HD LYS 2 1HD LYS 2 3.794 12.054 0.141 19 2HD LYS 2 2HD LYS 2 4.104 13.776 0.377 20 1HE LYS 2 1HE LYS 2 5.989 11.560 1.172 21 2HE LYS 2 2HE LYS 2 6.117 12.501 -0.313 22 1HZ LYS 2 1HZ LYS 2 6.271 13.595 2.448 23 2HZ LYS 2 2HZ LYS 2 7.587 13.352 1.409 24 3HZ LYS 2 3HZ LYS 2 6.401 14.497 1.022 25 HA PRO 3 HA PRO 3 5.337 16.021 5.912 26 1HB PRO 3 1HB PRO 3 6.136 13.826 7.621 27 2HB PRO 3 2HB PRO 3 5.445 15.376 8.080 28 1HG PRO 3 1HG PRO 3 4.127 13.015 8.360 29 2HG PRO 3 2HG PRO 3 3.300 14.562 8.098 30 1HD PRO 3 1HD PRO 3 3.918 12.378 6.142 31 2HD PRO 3 2HD PRO 3 2.449 13.374 6.305 32 H VAL 4 H VAL 4 7.758 15.016 6.773 33 HA VAL 4 HA VAL 4 9.067 14.341 4.360 34 HB VAL 4 HB VAL 4 10.191 13.747 7.071 35 H THR 5 H THR 5 9.913 12.352 3.715 36 HA THR 5 HA THR 5 9.165 9.997 5.273 37 HB THR 5 HB THR 5 8.111 8.960 3.184 38 HG1 THR 5 HG1 THR 5 8.421 11.627 2.398 39 H LEU 6 H LEU 6 9.658 8.004 3.649 40 HA LEU 6 HA LEU 6 12.513 8.177 3.369 41 1HB LEU 6 1HB LEU 6 11.788 5.888 1.978 42 2HB LEU 6 2HB LEU 6 12.374 5.978 3.626 43 HG LEU 6 HG LEU 6 9.819 6.330 4.166 44 H TYR 7 H TYR 7 9.798 8.660 1.294 45 HA TYR 7 HA TYR 7 11.043 8.258 -1.195 46 1HB TYR 7 1HB TYR 7 8.702 9.915 -0.273 47 2HB TYR 7 2HB TYR 7 9.242 9.938 -1.944 48 HD1 TYR 7 HD1 TYR 7 8.856 8.049 -3.404 49 HD2 TYR 7 HD2 TYR 7 7.647 7.944 0.667 50 HE1 TYR 7 HE1 TYR 7 7.446 6.091 -3.885 51 HE2 TYR 7 HE2 TYR 7 6.235 5.985 0.206 52 HH TYR 7 HH TYR 7 5.062 4.999 -1.836 53 H ASP 8 H ASP 8 10.740 10.966 0.987 54 HA ASP 8 HA ASP 8 11.828 12.968 -0.650 55 1HB ASP 8 1HB ASP 8 11.514 12.639 2.344 56 2HB ASP 8 2HB ASP 8 12.115 14.119 1.612 57 H VAL 9 H VAL 9 13.235 11.224 2.104 58 HA VAL 9 HA VAL 9 15.781 12.279 1.576 59 HB VAL 9 HB VAL 9 16.320 11.516 3.551 60 H ALA 10 H ALA 10 14.096 9.583 0.257 61 HA ALA 10 HA ALA 10 16.397 8.239 -0.795 62 1HB ALA 10 1HB ALA 10 13.528 8.148 -1.718 63 2HB ALA 10 2HB ALA 10 14.809 7.055 -2.244 64 3HB ALA 10 3HB ALA 10 14.284 7.051 -0.559 65 H GLU 11 H GLU 11 14.264 10.774 -1.774 66 HA GLU 11 HA GLU 11 15.091 11.040 -4.481 67 1HB GLU 11 1HB GLU 11 13.188 12.163 -2.744 68 2HB GLU 11 2HB GLU 11 14.162 13.504 -3.308 69 1HG GLU 11 1HG GLU 11 12.615 11.536 -4.973 70 2HG GLU 11 2HG GLU 11 12.321 13.258 -4.783 71 H TYR 12 H TYR 12 15.827 12.563 -1.469 72 HA TYR 12 HA TYR 12 17.690 14.501 -2.215 73 1HB TYR 12 1HB TYR 12 16.458 13.582 0.034 74 2HB TYR 12 2HB TYR 12 18.107 13.088 0.298 75 HD1 TYR 12 HD1 TYR 12 16.281 16.140 -0.836 76 HD2 TYR 12 HD2 TYR 12 19.415 14.482 1.493 77 HE1 TYR 12 HE1 TYR 12 16.809 18.377 0.034 78 HE2 TYR 12 HE2 TYR 12 19.953 16.687 2.368 79 HH TYR 12 HH TYR 12 19.597 18.900 2.158 80 H ALA 13 H ALA 13 18.173 11.401 -0.746 81 HA ALA 13 HA ALA 13 20.944 11.255 -0.974 82 1HB ALA 13 1HB ALA 13 18.915 9.070 -0.648 83 2HB ALA 13 2HB ALA 13 19.826 9.899 0.616 84 3HB ALA 13 3HB ALA 13 20.656 8.825 -0.513 85 H GLY 14 H GLY 14 18.556 10.742 -3.378 86 1HA GLY 14 1HA GLY 14 20.580 10.256 -5.357 87 2HA GLY 14 2HA GLY 14 18.844 10.363 -5.635 88 H VAL 15 H VAL 15 17.968 8.397 -3.896 89 HA VAL 15 HA VAL 15 18.898 5.964 -5.209 90 HB VAL 15 HB VAL 15 18.754 4.738 -3.061 91 H SER 16 H SER 16 17.199 4.248 -3.782 92 HA SER 16 HA SER 16 14.578 5.321 -4.560 93 1HB SER 16 1HB SER 16 13.867 3.085 -5.037 94 2HB SER 16 2HB SER 16 15.438 3.289 -5.806 95 HG SER 16 HG SER 16 16.329 1.957 -4.387 96 H VAL 17 H VAL 17 12.820 3.898 -3.301 97 HA VAL 17 HA VAL 17 13.156 4.662 -0.572 98 HB VAL 17 HB VAL 17 10.894 3.821 -0.281 99 H ALA 18 H ALA 18 13.883 1.967 -2.443 100 HA ALA 18 HA ALA 18 13.609 -0.051 -0.456 101 1HB ALA 18 1HB ALA 18 15.290 -0.047 -2.962 102 2HB ALA 18 2HB ALA 18 14.817 -1.459 -2.015 103 3HB ALA 18 3HB ALA 18 13.596 -0.525 -2.882 104 H THR 19 H THR 19 16.153 2.156 -1.572 105 HA THR 19 HA THR 19 18.249 0.958 -0.102 106 HB THR 19 HB THR 19 18.493 3.817 -0.614 107 HG1 THR 19 HG1 THR 19 18.365 2.244 -2.934 108 H VAL 20 H VAL 20 16.227 3.773 0.412 109 HA VAL 20 HA VAL 20 17.278 4.515 2.902 110 HB VAL 20 HB VAL 20 14.618 5.108 1.627 111 H SER 21 H SER 21 14.492 2.440 2.121 112 HA SER 21 HA SER 21 13.603 2.063 4.727 113 1HB SER 21 1HB SER 21 12.196 1.334 2.953 114 2HB SER 21 2HB SER 21 13.456 0.311 2.270 115 HG SER 21 HG SER 21 11.859 -0.094 4.543 116 H ARG 22 H ARG 22 16.268 0.654 2.917 117 HA ARG 22 HA ARG 22 16.819 -1.446 4.716 118 1HB ARG 22 1HB ARG 22 18.572 0.070 2.823 119 2HB ARG 22 2HB ARG 22 19.141 -1.272 3.779 120 1HG ARG 22 1HG ARG 22 16.747 -1.662 2.068 121 2HG ARG 22 2HG ARG 22 18.345 -1.652 1.328 122 1HD ARG 22 1HD ARG 22 18.112 -3.887 1.800 123 2HD ARG 22 2HD ARG 22 18.908 -3.327 3.266 124 HE ARG 22 HE ARG 22 16.031 -3.905 3.017 125 1HH1 ARG 22 1HH1 ARG 22 18.904 -3.521 4.987 126 1HH2 ARG 22 1HH2 ARG 22 15.060 -4.749 4.918 127 2HH1 ARG 22 2HH1 ARG 22 18.161 -4.160 6.418 128 2HH2 ARG 22 2HH2 ARG 22 15.981 -4.841 6.383 129 H VAL 23 H VAL 23 18.037 1.837 4.436 130 HA VAL 23 HA VAL 23 19.809 1.664 6.653 131 HB VAL 23 HB VAL 23 18.512 4.147 5.532 132 H VAL 24 H VAL 24 16.511 2.779 6.214 133 HA VAL 24 HA VAL 24 15.939 3.576 8.828 134 HB VAL 24 HB VAL 24 14.388 2.628 6.445 135 H ASN 25 H ASN 25 16.147 0.547 7.241 136 HA ASN 25 HA ASN 25 15.166 -0.976 9.556 137 1HB ASN 25 1HB ASN 25 15.617 -1.548 6.679 138 2HB ASN 25 2HB ASN 25 15.895 -2.882 7.787 139 1HD2 ASN 25 1HD2 ASN 25 13.633 -1.067 6.076 140 1HD2 ASN 25 1HD2 ASN 25 12.194 -1.795 6.730 141 H GLN 26 H GLN 26 17.771 0.509 9.396 142 HA GLN 26 HA GLN 26 19.829 0.277 10.271 143 1HB GLN 26 1HB GLN 26 19.696 -2.569 10.964 144 2HB GLN 26 2HB GLN 26 20.267 -1.211 11.907 145 1HG GLN 26 1HG GLN 26 17.446 -2.114 11.516 146 2HG GLN 26 2HG GLN 26 18.375 -2.136 13.010 147 H ALA 27 H ALA 27 19.841 0.359 7.857 148 HA ALA 27 HA ALA 27 20.346 -0.430 5.764 149 1HB ALA 27 1HB ALA 27 22.835 -0.075 7.385 150 2HB ALA 27 2HB ALA 27 21.920 1.149 6.505 151 3HB ALA 27 3HB ALA 27 22.796 -0.108 5.622 152 H SER 28 H SER 28 22.896 -2.161 7.561 153 HA SER 28 HA SER 28 23.725 -4.226 7.345 154 1HB SER 28 1HB SER 28 20.941 -4.870 6.472 155 2HB SER 28 2HB SER 28 22.158 -6.076 6.866 156 HG SER 28 HG SER 28 21.262 -4.043 8.656 157 H HIS 29 H HIS 29 21.492 -4.674 4.673 158 HA HIS 29 HA HIS 29 23.648 -5.279 2.925 159 1HB HIS 29 1HB HIS 29 20.701 -5.214 2.613 160 2HB HIS 29 2HB HIS 29 21.669 -5.087 1.148 161 HD1 HIS 29 HD1 HIS 29 20.675 -7.496 0.525 162 HD2 HIS 29 HD2 HIS 29 23.213 -7.358 3.813 163 HE1 HIS 29 HE1 HIS 29 21.393 -9.871 0.931 164 HE2 HIS 29 HE2 HIS 29 22.776 -9.779 3.030 165 H VAL 30 H VAL 30 22.516 -2.305 3.869 166 HA VAL 30 HA VAL 30 23.085 -0.995 1.370 167 HB VAL 30 HB VAL 30 21.791 -0.205 3.882 168 H SER 31 H SER 31 24.983 -0.004 0.889 169 HA SER 31 HA SER 31 27.256 -0.729 2.360 170 1HB SER 31 1HB SER 31 28.108 1.301 0.715 171 2HB SER 31 2HB SER 31 27.938 -0.388 0.221 172 HG SER 31 HG SER 31 26.836 1.054 -1.189 173 H ALA 32 H ALA 32 28.730 0.613 3.518 174 HA ALA 32 HA ALA 32 27.693 2.260 5.450 175 1HB ALA 32 1HB ALA 32 30.486 2.314 4.319 176 2HB ALA 32 2HB ALA 32 29.901 1.286 5.627 177 3HB ALA 32 3HB ALA 32 29.992 3.031 5.851 178 H LYS 33 H LYS 33 29.190 3.266 2.389 179 HA LYS 33 HA LYS 33 29.021 6.013 2.718 180 1HB LYS 33 1HB LYS 33 29.562 4.202 0.593 181 2HB LYS 33 2HB LYS 33 28.494 5.466 0.003 182 1HG LYS 33 1HG LYS 33 30.984 6.079 1.548 183 2HG LYS 33 2HG LYS 33 30.985 5.856 -0.195 184 1HD LYS 33 1HD LYS 33 29.620 7.729 -0.553 185 2HD LYS 33 2HD LYS 33 29.112 7.784 1.134 186 1HE LYS 33 1HE LYS 33 31.966 8.206 0.312 187 2HE LYS 33 2HE LYS 33 30.800 9.527 0.360 188 1HZ LYS 33 1HZ LYS 33 31.157 7.792 2.715 189 2HZ LYS 33 2HZ LYS 33 32.246 9.053 2.422 190 3HZ LYS 33 3HZ LYS 33 30.605 9.390 2.638 191 H THR 34 H THR 34 26.672 3.801 1.358 192 HA THR 34 HA THR 34 24.727 5.724 0.715 193 HB THR 34 HB THR 34 24.255 2.867 1.370 194 HG1 THR 34 HG1 THR 34 24.888 2.378 -0.652 195 H ARG 35 H ARG 35 25.140 3.651 3.534 196 HA ARG 35 HA ARG 35 22.886 4.337 4.943 197 1HB ARG 35 1HB ARG 35 24.398 2.638 5.765 198 2HB ARG 35 2HB ARG 35 25.676 3.820 5.990 199 1HG ARG 35 1HG ARG 35 23.135 4.220 7.463 200 2HG ARG 35 2HG ARG 35 24.212 2.948 8.001 201 1HD ARG 35 1HD ARG 35 26.001 4.527 8.223 202 2HD ARG 35 2HD ARG 35 24.973 5.807 7.607 203 HE ARG 35 HE ARG 35 23.550 5.384 9.630 204 1HH1 ARG 35 1HH1 ARG 35 26.987 4.698 9.641 205 1HH2 ARG 35 1HH2 ARG 35 23.738 5.611 11.871 206 2HH1 ARG 35 2HH1 ARG 35 27.142 4.878 11.360 207 2HH2 ARG 35 2HH2 ARG 35 25.284 5.394 12.635 208 H GLU 36 H GLU 36 25.918 6.046 4.737 209 HA GLU 36 HA GLU 36 25.171 8.170 6.487 210 1HB GLU 36 1HB GLU 36 27.397 7.746 4.564 211 2HB GLU 36 2HB GLU 36 27.170 9.304 5.315 212 1HG GLU 36 1HG GLU 36 27.649 8.483 7.417 213 2HG GLU 36 2HG GLU 36 27.385 6.815 6.922 214 H LYS 37 H LYS 37 25.153 7.590 3.077 215 HA LYS 37 HA LYS 37 24.562 10.029 1.955 216 1HB LYS 37 1HB LYS 37 25.055 7.961 0.699 217 2HB LYS 37 2HB LYS 37 23.513 7.302 1.207 218 1HG LYS 37 1HG LYS 37 22.511 9.377 0.092 219 2HG LYS 37 2HG LYS 37 24.058 9.471 -0.752 220 1HD LYS 37 1HD LYS 37 22.295 7.024 -0.670 221 2HD LYS 37 2HD LYS 37 22.293 8.201 -1.986 222 1HE LYS 37 1HE LYS 37 24.520 6.376 -1.134 223 2HE LYS 37 2HE LYS 37 23.661 6.386 -2.666 224 1HZ LYS 37 1HZ LYS 37 25.446 8.551 -1.694 225 2HZ LYS 37 2HZ LYS 37 25.855 7.388 -2.850 226 3HZ LYS 37 3HZ LYS 37 24.648 8.522 -3.184 227 H VAL 38 H VAL 38 22.362 7.671 3.207 228 HA VAL 38 HA VAL 38 20.077 9.326 2.615 229 HB VAL 38 HB VAL 38 18.729 7.575 2.810 230 H GLU 39 H GLU 39 21.911 8.392 5.495 231 HA GLU 39 HA GLU 39 20.070 9.320 7.371 232 1HB GLU 39 1HB GLU 39 23.047 8.953 7.371 233 2HB GLU 39 2HB GLU 39 22.193 9.566 8.766 234 1HG GLU 39 1HG GLU 39 20.797 7.296 7.930 235 2HG GLU 39 2HG GLU 39 22.508 6.883 7.873 236 H ALA 40 H ALA 40 22.648 10.840 5.566 237 HA ALA 40 HA ALA 40 22.524 13.357 6.758 238 1HB ALA 40 1HB ALA 40 24.378 12.799 5.337 239 2HB ALA 40 2HB ALA 40 23.306 12.563 3.959 240 3HB ALA 40 3HB ALA 40 23.542 14.178 4.626 241 H ALA 41 H ALA 41 20.776 11.929 4.108 242 HA ALA 41 HA ALA 41 19.287 14.179 3.330 243 1HB ALA 41 1HB ALA 41 18.652 11.241 3.057 244 2HB ALA 41 2HB ALA 41 17.807 12.542 2.224 245 3HB ALA 41 3HB ALA 41 19.510 12.241 1.884 246 H MET 42 H MET 42 18.599 11.464 5.475 247 HA MET 42 HA MET 42 16.037 12.084 6.253 248 1HB MET 42 1HB MET 42 18.306 10.830 7.784 249 2HB MET 42 2HB MET 42 16.675 10.924 8.406 250 1HG MET 42 1HG MET 42 15.869 9.534 6.597 251 2HG MET 42 2HG MET 42 17.491 9.501 5.894 252 1HE MET 42 1HE MET 42 17.144 6.823 5.849 253 2HE MET 42 2HE MET 42 16.926 5.841 7.298 254 3HE MET 42 3HE MET 42 15.624 6.892 6.743 255 H ALA 43 H ALA 43 19.080 13.161 7.416 256 HA ALA 43 HA ALA 43 18.280 14.522 9.728 257 1HB ALA 43 1HB ALA 43 20.493 15.599 9.625 258 2HB ALA 43 2HB ALA 43 20.552 13.847 9.435 259 3HB ALA 43 3HB ALA 43 20.720 14.895 8.023 260 H GLU 44 H GLU 44 18.946 15.819 6.498 261 HA GLU 44 HA GLU 44 18.615 18.496 7.149 262 1HB GLU 44 1HB GLU 44 18.081 17.197 4.526 263 2HB GLU 44 2HB GLU 44 18.425 18.890 4.800 264 1HG GLU 44 1HG GLU 44 20.528 17.558 5.990 265 2HG GLU 44 2HG GLU 44 20.188 16.664 4.516 266 H LEU 45 H LEU 45 16.378 16.206 5.754 267 HA LEU 45 HA LEU 45 14.204 18.039 5.663 268 1HB LEU 45 1HB LEU 45 13.927 15.070 5.535 269 2HB LEU 45 2HB LEU 45 13.043 16.301 4.675 270 HG LEU 45 HG LEU 45 15.928 16.056 4.048 271 H ASN 46 H ASN 46 15.438 15.798 7.968 272 HA ASN 46 HA ASN 46 14.901 15.307 10.106 273 1HB ASN 46 1HB ASN 46 14.194 17.646 10.382 274 2HB ASN 46 2HB ASN 46 12.625 17.213 9.757 275 1HD2 ASN 46 1HD2 ASN 46 14.790 16.972 12.406 276 1HD2 ASN 46 1HD2 ASN 46 13.621 16.451 13.566 277 H TYR 47 H TYR 47 14.573 13.468 8.635 278 HA TYR 47 HA TYR 47 11.981 12.546 7.973 279 1HB TYR 47 1HB TYR 47 13.876 11.753 6.718 280 2HB TYR 47 2HB TYR 47 14.632 11.130 8.179 281 HD1 TYR 47 HD1 TYR 47 14.581 8.838 8.412 282 HD2 TYR 47 HD2 TYR 47 11.312 10.767 6.490 283 HE1 TYR 47 HE1 TYR 47 13.488 6.671 8.099 284 HE2 TYR 47 HE2 TYR 47 10.219 8.589 6.164 285 HH TYR 47 HH TYR 47 10.695 6.280 6.101 286 H ILE 48 H ILE 48 10.512 11.517 9.118 287 HA ILE 48 HA ILE 48 11.327 9.978 11.482 288 HB ILE 48 HB ILE 48 8.771 11.565 11.394 289 HA PRO 49 HA PRO 49 8.987 7.142 8.828 290 1HB PRO 49 1HB PRO 49 9.550 4.907 10.286 291 2HB PRO 49 2HB PRO 49 10.644 5.585 9.072 292 1HG PRO 49 1HG PRO 49 10.701 5.862 12.044 293 2HG PRO 49 2HG PRO 49 12.039 5.628 10.904 294 1HD PRO 49 1HD PRO 49 11.434 8.043 11.975 295 2HD PRO 49 2HD PRO 49 12.130 7.868 10.352 296 H ASN 50 H ASN 50 7.204 5.466 9.328 297 HA ASN 50 HA ASN 50 5.713 6.366 11.671 298 1HB ASN 50 1HB ASN 50 4.969 5.843 8.835 299 2HB ASN 50 2HB ASN 50 3.819 5.311 10.068 300 1HD2 ASN 50 1HD2 ASN 50 4.242 7.624 8.013 301 1HD2 ASN 50 1HD2 ASN 50 3.641 8.977 8.902 302 H ARG 51 H ARG 51 5.373 4.838 13.136 303 HA ARG 51 HA ARG 51 6.552 2.319 12.996 304 1HB ARG 51 1HB ARG 51 5.107 3.834 14.906 305 2HB ARG 51 2HB ARG 51 4.421 2.218 14.868 306 1HG ARG 51 1HG ARG 51 6.076 2.079 16.487 307 2HG ARG 51 2HG ARG 51 6.832 1.390 15.051 308 1HD ARG 51 1HD ARG 51 7.196 4.278 15.286 309 2HD ARG 51 2HD ARG 51 7.883 3.377 16.635 310 HE ARG 51 HE ARG 51 8.581 2.332 14.036 311 1HH1 ARG 51 1HH1 ARG 51 9.427 4.604 16.557 312 1HH2 ARG 51 1HH2 ARG 51 10.776 2.484 13.393 313 2HH1 ARG 51 2HH1 ARG 51 11.101 4.692 16.102 314 2HH2 ARG 51 2HH2 ARG 51 11.861 3.500 14.295 315 H CYS 52 H CYS 52 3.367 3.297 11.945 316 HA CYS 52 HA CYS 52 2.249 0.644 12.020 317 1HB CYS 52 1HB CYS 52 1.124 3.082 12.010 318 2HB CYS 52 2HB CYS 52 1.097 2.743 10.282 319 H ALA 53 H ALA 53 3.154 2.861 9.461 320 HA ALA 53 HA ALA 53 2.987 1.204 7.318 321 1HB ALA 53 1HB ALA 53 3.608 3.614 7.273 322 2HB ALA 53 2HB ALA 53 5.247 3.151 7.731 323 3HB ALA 53 3HB ALA 53 4.572 2.605 6.197 324 H GLN 54 H GLN 54 5.575 1.381 9.675 325 HA GLN 54 HA GLN 54 7.319 -0.463 8.411 326 1HB GLN 54 1HB GLN 54 7.131 0.485 11.270 327 2HB GLN 54 2HB GLN 54 8.470 -0.425 10.594 328 1HG GLN 54 1HG GLN 54 8.601 1.500 8.879 329 2HG GLN 54 2HG GLN 54 7.659 2.388 10.066 330 H GLN 55 H GLN 55 4.858 -0.633 10.916 331 HA GLN 55 HA GLN 55 5.248 -3.330 11.633 332 1HB GLN 55 1HB GLN 55 2.995 -1.398 11.942 333 2HB GLN 55 2HB GLN 55 2.769 -3.074 12.392 334 1HG GLN 55 1HG GLN 55 4.259 -0.926 13.706 335 2HG GLN 55 2HG GLN 55 3.462 -2.335 14.402 336 H LEU 56 H LEU 56 2.958 -1.785 9.418 337 HA LEU 56 HA LEU 56 1.640 -4.093 8.535 338 1HB LEU 56 1HB LEU 56 1.168 -1.559 8.198 339 2HB LEU 56 2HB LEU 56 2.200 -1.720 6.785 340 HG LEU 56 HG LEU 56 0.686 -3.361 5.829 341 H ALA 57 H ALA 57 3.960 -2.212 6.762 342 HA ALA 57 HA ALA 57 4.598 -4.049 4.790 343 1HB ALA 57 1HB ALA 57 5.323 -1.557 5.079 344 2HB ALA 57 2HB ALA 57 6.778 -2.264 5.779 345 3HB ALA 57 3HB ALA 57 6.313 -2.662 4.125 346 H GLY 58 H GLY 58 5.796 -3.911 8.052 347 1HA GLY 58 1HA GLY 58 7.321 -5.203 9.193 348 2HA GLY 58 2HA GLY 58 7.973 -5.721 7.641 349 H LYS 59 H LYS 59 4.622 -6.111 7.853 350 HA LYS 59 HA LYS 59 4.690 -8.713 9.062 351 1HB LYS 59 1HB LYS 59 2.773 -6.922 9.089 352 2HB LYS 59 2HB LYS 59 2.329 -7.707 7.584 353 1HG LYS 59 1HG LYS 59 2.590 -9.882 9.090 354 2HG LYS 59 2HG LYS 59 2.185 -8.721 10.358 355 1HD LYS 59 1HD LYS 59 0.121 -9.606 9.647 356 2HD LYS 59 2HD LYS 59 0.242 -8.026 8.869 357 1HE LYS 59 1HE LYS 59 -0.558 -9.643 7.266 358 2HE LYS 59 2HE LYS 59 1.070 -9.132 6.824 359 1HZ LYS 59 1HZ LYS 59 0.632 -11.567 8.430 360 2HZ LYS 59 2HZ LYS 59 0.524 -11.614 6.745 361 3HZ LYS 59 3HZ LYS 59 1.974 -11.150 7.488 362 H GLN 60 H GLN 60 5.545 -7.603 6.088 363 HA GLN 60 HA GLN 60 4.353 -9.433 4.334 364 1HB GLN 60 1HB GLN 60 6.743 -7.703 4.259 365 2HB GLN 60 2HB GLN 60 6.585 -8.932 3.036 366 1HG GLN 60 1HG GLN 60 4.354 -8.006 2.520 367 2HG GLN 60 2HG GLN 60 4.716 -6.696 3.621 368 H SER 61 H SER 61 7.209 -9.597 6.323 369 HA SER 61 HA SER 61 8.074 -12.139 5.307 370 1HB SER 61 1HB SER 61 9.070 -11.258 7.921 371 2HB SER 61 2HB SER 61 9.961 -11.751 6.487 372 HG SER 61 HG SER 61 10.074 -9.735 5.844 373 H LEU 62 H LEU 62 5.640 -11.183 7.358 374 HA LEU 62 HA LEU 62 5.775 -13.544 9.059 375 1HB LEU 62 1HB LEU 62 4.312 -10.975 9.168 376 2HB LEU 62 2HB LEU 62 3.594 -12.357 9.961 377 HG LEU 62 HG LEU 62 4.796 -11.131 11.609 378 H1 MET 101 H1 MET 101 2.070 -14.461 4.610 379 H2 MET 101 H2 MET 101 2.433 -14.167 6.237 380 H3 MET 101 H3 MET 101 2.857 -15.642 5.518 381 HA MET 101 HA MET 101 0.622 -16.302 5.277 382 1HB MET 101 1HB MET 101 1.489 -16.861 7.424 383 2HB MET 101 2HB MET 101 1.319 -15.212 8.004 384 1HG MET 101 1HG MET 101 -1.154 -15.480 7.773 385 2HG MET 101 2HG MET 101 -0.874 -17.186 7.435 386 1HE MET 101 1HE MET 101 -2.518 -17.776 9.346 387 2HE MET 101 2HE MET 101 -2.302 -17.356 11.045 388 3HE MET 101 3HE MET 101 -2.765 -16.115 9.881 389 H LYS 102 H LYS 102 -1.471 -15.802 4.951 390 HA LYS 102 HA LYS 102 -2.331 -13.057 5.557 391 1HB LYS 102 1HB LYS 102 -1.917 -13.137 3.174 392 2HB LYS 102 2HB LYS 102 -2.855 -14.616 3.018 393 1HG LYS 102 1HG LYS 102 -4.795 -13.162 3.978 394 2HG LYS 102 2HG LYS 102 -3.794 -11.815 3.434 395 1HD LYS 102 1HD LYS 102 -3.986 -12.403 1.206 396 2HD LYS 102 2HD LYS 102 -4.374 -14.084 1.577 397 1HE LYS 102 1HE LYS 102 -6.187 -11.746 2.159 398 2HE LYS 102 2HE LYS 102 -6.301 -12.756 0.719 399 1HZ LYS 102 1HZ LYS 102 -6.580 -13.735 3.515 400 2HZ LYS 102 2HZ LYS 102 -7.868 -13.437 2.458 401 3HZ LYS 102 3HZ LYS 102 -6.752 -14.663 2.111 402 HA PRO 103 HA PRO 103 -5.539 -15.621 7.463 403 1HB PRO 103 1HB PRO 103 -6.306 -13.237 8.890 404 2HB PRO 103 2HB PRO 103 -5.555 -14.695 9.526 405 1HG PRO 103 1HG PRO 103 -4.301 -12.268 9.415 406 2HG PRO 103 2HG PRO 103 -3.446 -13.824 9.392 407 1HD PRO 103 1HD PRO 103 -4.118 -11.991 7.124 408 2HD PRO 103 2HD PRO 103 -2.643 -12.943 7.416 409 H VAL 104 H VAL 104 -7.947 -14.576 8.175 410 HA VAL 104 HA VAL 104 -9.253 -14.107 5.714 411 HB VAL 104 HB VAL 104 -10.407 -13.243 8.337 412 H THR 105 H THR 105 -10.148 -12.181 4.907 413 HA THR 105 HA THR 105 -9.346 -9.706 6.227 414 HB THR 105 HB THR 105 -8.343 -8.885 4.008 415 HG1 THR 105 HG1 THR 105 -8.624 -11.626 3.540 416 H LEU 106 H LEU 106 -9.867 -7.867 4.407 417 HA LEU 106 HA LEU 106 -12.735 -8.051 4.241 418 1HB LEU 106 1HB LEU 106 -12.027 -5.889 2.639 419 2HB LEU 106 2HB LEU 106 -12.590 -5.838 4.295 420 HG LEU 106 HG LEU 106 -10.035 -6.170 4.831 421 H TYR 107 H TYR 107 -10.090 -8.722 2.128 422 HA TYR 107 HA TYR 107 -11.404 -8.510 -0.353 423 1HB TYR 107 1HB TYR 107 -9.054 -10.113 0.643 424 2HB TYR 107 2HB TYR 107 -9.636 -10.258 -1.008 425 HD1 TYR 107 HD1 TYR 107 -9.261 -8.496 -2.619 426 HD2 TYR 107 HD2 TYR 107 -7.965 -8.077 1.407 427 HE1 TYR 107 HE1 TYR 107 -7.846 -6.594 -3.283 428 HE2 TYR 107 HE2 TYR 107 -6.548 -6.175 0.762 429 HH TYR 107 HH TYR 107 -5.388 -5.463 -1.570 430 H ASP 108 H ASP 108 -11.023 -11.046 2.012 431 HA ASP 108 HA ASP 108 -12.160 -13.161 0.573 432 1HB ASP 108 1HB ASP 108 -11.793 -12.625 3.536 433 2HB ASP 108 2HB ASP 108 -12.303 -14.175 2.888 434 H VAL 109 H VAL 109 -13.487 -11.231 3.239 435 HA VAL 109 HA VAL 109 -16.056 -12.301 2.871 436 HB VAL 109 HB VAL 109 -16.543 -11.370 4.790 437 H ALA 110 H ALA 110 -14.410 -9.720 1.299 438 HA ALA 110 HA ALA 110 -16.734 -8.435 0.238 439 1HB ALA 110 1HB ALA 110 -13.897 -8.461 -0.791 440 2HB ALA 110 2HB ALA 110 -15.182 -7.397 -1.365 441 3HB ALA 110 3HB ALA 110 -14.600 -7.260 0.296 442 H GLU 111 H GLU 111 -14.639 -11.045 -0.662 443 HA GLU 111 HA GLU 111 -15.623 -11.453 -3.303 444 1HB GLU 111 1HB GLU 111 -13.577 -12.421 -1.654 445 2HB GLU 111 2HB GLU 111 -14.553 -13.822 -2.024 446 1HG GLU 111 1HG GLU 111 -13.264 -11.962 -4.005 447 2HG GLU 111 2HG GLU 111 -12.796 -13.616 -3.641 448 H TYR 112 H TYR 112 -16.162 -12.808 -0.172 449 HA TYR 112 HA TYR 112 -18.030 -14.811 -0.693 450 1HB TYR 112 1HB TYR 112 -16.757 -13.712 1.446 451 2HB TYR 112 2HB TYR 112 -18.398 -13.191 1.703 452 HD1 TYR 112 HD1 TYR 112 -16.572 -16.327 0.823 453 HD2 TYR 112 HD2 TYR 112 -19.722 -14.483 2.991 454 HE1 TYR 112 HE1 TYR 112 -17.103 -18.479 1.880 455 HE2 TYR 112 HE2 TYR 112 -20.263 -16.605 4.049 456 HH TYR 112 HH TYR 112 -19.933 -18.866 3.944 457 H ALA 113 H ALA 113 -18.450 -11.579 0.432 458 HA ALA 113 HA ALA 113 -21.249 -11.452 0.190 459 1HB ALA 113 1HB ALA 113 -20.168 -9.981 1.697 460 2HB ALA 113 2HB ALA 113 -20.928 -8.985 0.454 461 3HB ALA 113 3HB ALA 113 -19.190 -9.282 0.407 462 H GLY 114 H GLY 114 -18.758 -11.205 -2.149 463 1HA GLY 114 1HA GLY 114 -20.745 -10.441 -4.170 464 2HA GLY 114 2HA GLY 114 -19.287 -11.378 -4.468 465 H VAL 115 H VAL 115 -20.163 -8.340 -2.998 466 HA VAL 115 HA VAL 115 -19.203 -6.434 -4.465 467 HB VAL 115 HB VAL 115 -19.063 -5.064 -2.493 468 H SER 116 H SER 116 -17.496 -4.837 -3.252 469 HA SER 116 HA SER 116 -14.875 -6.035 -3.855 470 1HB SER 116 1HB SER 116 -14.137 -3.831 -4.509 471 2HB SER 116 2HB SER 116 -15.670 -4.146 -5.317 472 HG SER 116 HG SER 116 -16.698 -2.885 -3.722 473 H VAL 117 H VAL 117 -13.131 -4.418 -2.746 474 HA VAL 117 HA VAL 117 -13.442 -4.942 0.054 475 HB VAL 117 HB VAL 117 -11.178 -4.077 0.241 476 H ALA 118 H ALA 118 -14.110 -2.411 -2.083 477 HA ALA 118 HA ALA 118 -13.824 -0.228 -0.281 478 1HB ALA 118 1HB ALA 118 -15.535 -0.407 -2.759 479 2HB ALA 118 2HB ALA 118 -14.984 1.063 -1.953 480 3HB ALA 118 3HB ALA 118 -13.822 0.005 -2.752 481 H THR 119 H THR 119 -16.382 -2.504 -1.156 482 HA THR 119 HA THR 119 -18.447 -1.123 0.183 483 HB THR 119 HB THR 119 -18.681 -4.036 -0.109 484 HG1 THR 119 HG1 THR 119 -18.769 -2.671 -2.528 485 H VAL 120 H VAL 120 -16.481 -3.919 0.964 486 HA VAL 120 HA VAL 120 -17.521 -4.406 3.520 487 HB VAL 120 HB VAL 120 -14.863 -5.130 2.310 488 H SER 121 H SER 121 -14.722 -2.444 2.551 489 HA SER 121 HA SER 121 -13.802 -1.855 5.109 490 1HB SER 121 1HB SER 121 -12.403 -1.297 3.265 491 2HB SER 121 2HB SER 121 -13.658 -0.307 2.522 492 HG SER 121 HG SER 121 -11.998 0.248 4.715 493 H ARG 122 H ARG 122 -16.458 -0.564 3.208 494 HA ARG 122 HA ARG 122 -16.984 1.679 4.828 495 1HB ARG 122 1HB ARG 122 -18.764 0.007 3.096 496 2HB ARG 122 2HB ARG 122 -19.319 1.427 3.944 497 1HG ARG 122 1HG ARG 122 -16.947 1.673 2.185 498 2HG ARG 122 2HG ARG 122 -18.550 1.586 1.457 499 1HD ARG 122 1HD ARG 122 -18.325 3.862 1.729 500 2HD ARG 122 2HD ARG 122 -19.121 3.425 3.238 501 HE ARG 122 HE ARG 122 -16.236 3.967 2.951 502 1HH1 ARG 122 1HH1 ARG 122 -19.123 3.870 4.938 503 1HH2 ARG 122 1HH2 ARG 122 -15.269 5.035 4.716 504 2HH1 ARG 122 2HH1 ARG 122 -18.377 4.688 6.269 505 2HH2 ARG 122 2HH2 ARG 122 -16.195 5.351 6.143 506 H VAL 123 H VAL 123 -18.205 -1.615 4.856 507 HA VAL 123 HA VAL 123 -19.942 -1.255 7.071 508 HB VAL 123 HB VAL 123 -18.653 -3.821 6.147 509 H VAL 124 H VAL 124 -16.655 -2.404 6.692 510 HA VAL 124 HA VAL 124 -16.038 -2.944 9.365 511 HB VAL 124 HB VAL 124 -14.515 -2.217 6.888 512 H ASN 125 H ASN 125 -16.295 -0.084 7.502 513 HA ASN 125 HA ASN 125 -15.231 1.668 9.621 514 1HB ASN 125 1HB ASN 125 -15.744 1.931 6.712 515 2HB ASN 125 2HB ASN 125 -16.025 3.375 7.671 516 1HD2 ASN 125 1HD2 ASN 125 -13.742 1.313 6.230 517 1HD2 ASN 125 1HD2 ASN 125 -12.315 2.170 6.738 518 H GLN 126 H GLN 126 -17.870 0.184 9.642 519 HA GLN 126 HA GLN 126 -19.905 0.520 10.543 520 1HB GLN 126 1HB GLN 126 -19.737 3.427 10.922 521 2HB GLN 126 2HB GLN 126 -20.311 2.185 12.014 522 1HG GLN 126 1HG GLN 126 -17.482 2.994 11.486 523 2HG GLN 126 2HG GLN 126 -18.383 3.206 12.983 524 H ALA 127 H ALA 127 -19.960 0.182 8.142 525 HA ALA 127 HA ALA 127 -20.503 0.763 5.992 526 1HB ALA 127 1HB ALA 127 -22.981 0.605 7.667 527 2HB ALA 127 2HB ALA 127 -22.939 0.419 5.914 528 3HB ALA 127 3HB ALA 127 -22.070 -0.721 6.944 529 H SER 128 H SER 128 -23.000 2.655 7.651 530 HA SER 128 HA SER 128 -23.795 4.725 7.296 531 1HB SER 128 1HB SER 128 -21.024 5.201 6.282 532 2HB SER 128 2HB SER 128 -22.203 6.482 6.519 533 HG SER 128 HG SER 128 -21.489 4.698 8.604 534 H HIS 129 H HIS 129 -21.677 4.889 4.501 535 HA HIS 129 HA HIS 129 -23.906 5.341 2.792 536 1HB HIS 129 1HB HIS 129 -20.971 5.241 2.360 537 2HB HIS 129 2HB HIS 129 -22.002 4.980 0.959 538 HD1 HIS 129 HD1 HIS 129 -20.975 7.322 0.103 539 HD2 HIS 129 HD2 HIS 129 -23.493 7.500 3.407 540 HE1 HIS 129 HE1 HIS 129 -21.704 9.722 0.276 541 HE2 HIS 129 HE2 HIS 129 -23.290 9.787 2.224 542 H VAL 130 H VAL 130 -22.668 2.455 3.921 543 HA VAL 130 HA VAL 130 -23.316 0.921 1.582 544 HB VAL 130 HB VAL 130 -22.000 0.375 4.146 545 H SER 131 H SER 131 -25.231 -0.077 1.209 546 HA SER 131 HA SER 131 -27.471 0.780 2.649 547 1HB SER 131 1HB SER 131 -28.350 -1.407 1.220 548 2HB SER 131 2HB SER 131 -28.209 0.230 0.568 549 HG SER 131 HG SER 131 -27.014 -0.943 -0.812 550 H ALA 132 H ALA 132 -28.943 -0.450 3.932 551 HA ALA 132 HA ALA 132 -27.888 -1.907 6.003 552 1HB ALA 132 1HB ALA 132 -30.092 -0.910 6.121 553 2HB ALA 132 2HB ALA 132 -30.699 -2.046 4.918 554 3HB ALA 132 3HB ALA 132 -30.189 -2.628 6.501 555 H LYS 133 H LYS 133 -29.444 -3.189 3.074 556 HA LYS 133 HA LYS 133 -29.268 -5.891 3.663 557 1HB LYS 133 1HB LYS 133 -29.874 -4.285 1.403 558 2HB LYS 133 2HB LYS 133 -28.799 -5.581 0.895 559 1HG LYS 133 1HG LYS 133 -31.235 -6.097 2.558 560 2HG LYS 133 2HG LYS 133 -31.297 -6.022 0.802 561 1HD LYS 133 1HD LYS 133 -29.890 -7.894 0.565 562 2HD LYS 133 2HD LYS 133 -29.371 -7.812 2.248 563 1HE LYS 133 1HE LYS 133 -32.146 -8.503 1.296 564 2HE LYS 133 2HE LYS 133 -30.939 -9.657 1.859 565 1HZ LYS 133 1HZ LYS 133 -30.967 -8.134 3.958 566 2HZ LYS 133 2HZ LYS 133 -32.501 -7.706 3.396 567 3HZ LYS 133 3HZ LYS 133 -32.155 -9.320 3.749 568 H THR 134 H THR 134 -26.942 -3.822 2.060 569 HA THR 134 HA THR 134 -25.025 -5.812 1.565 570 HB THR 134 HB THR 134 -24.564 -2.889 1.855 571 HG1 THR 134 HG1 THR 134 -25.417 -2.688 -0.085 572 H ARG 135 H ARG 135 -25.355 -3.485 4.181 573 HA ARG 135 HA ARG 135 -23.062 -4.021 5.575 574 1HB ARG 135 1HB ARG 135 -24.549 -2.281 6.308 575 2HB ARG 135 2HB ARG 135 -25.839 -3.431 6.621 576 1HG ARG 135 1HG ARG 135 -23.283 -3.715 8.118 577 2HG ARG 135 2HG ARG 135 -24.390 -2.434 8.570 578 1HD ARG 135 1HD ARG 135 -26.156 -4.086 8.833 579 2HD ARG 135 2HD ARG 135 -25.018 -5.351 8.412 580 HE ARG 135 HE ARG 135 -23.800 -4.848 10.449 581 1HH1 ARG 135 1HH1 ARG 135 -27.038 -3.515 10.188 582 1HH2 ARG 135 1HH2 ARG 135 -24.075 -4.631 12.702 583 2HH1 ARG 135 2HH1 ARG 135 -27.242 -3.350 11.902 584 2HH2 ARG 135 2HH2 ARG 135 -25.557 -3.993 13.333 585 H GLU 136 H GLU 136 -26.046 -5.818 5.554 586 HA GLU 136 HA GLU 136 -25.208 -7.769 7.471 587 1HB GLU 136 1HB GLU 136 -27.477 -7.688 5.534 588 2HB GLU 136 2HB GLU 136 -27.218 -9.021 6.625 589 1HG GLU 136 1HG GLU 136 -27.717 -7.760 8.473 590 2HG GLU 136 2HG GLU 136 -27.460 -6.241 7.628 591 H LYS 137 H LYS 137 -25.317 -7.450 4.033 592 HA LYS 137 HA LYS 137 -24.758 -9.965 3.080 593 1HB LYS 137 1HB LYS 137 -25.297 -8.024 1.677 594 2HB LYS 137 2HB LYS 137 -23.764 -7.290 2.109 595 1HG LYS 137 1HG LYS 137 -22.747 -9.453 1.144 596 2HG LYS 137 2HG LYS 137 -24.293 -9.581 0.297 597 1HD LYS 137 1HD LYS 137 -22.477 -7.166 0.236 598 2HD LYS 137 2HD LYS 137 -22.541 -8.407 -1.020 599 1HE LYS 137 1HE LYS 137 -24.818 -6.630 -0.168 600 2HE LYS 137 2HE LYS 137 -23.855 -6.436 -1.623 601 1HZ LYS 137 1HZ LYS 137 -25.501 -8.828 -1.028 602 2HZ LYS 137 2HZ LYS 137 -26.004 -7.545 -2.007 603 3HZ LYS 137 3HZ LYS 137 -24.684 -8.494 -2.465 604 H VAL 138 H VAL 138 -22.547 -7.537 4.176 605 HA VAL 138 HA VAL 138 -20.268 -9.237 3.683 606 HB VAL 138 HB VAL 138 -18.924 -7.480 3.692 607 H GLU 139 H GLU 139 -22.083 -8.048 6.493 608 HA GLU 139 HA GLU 139 -20.225 -8.798 8.427 609 1HB GLU 139 1HB GLU 139 -23.202 -8.438 8.402 610 2HB GLU 139 2HB GLU 139 -22.346 -8.933 9.843 611 1HG GLU 139 1HG GLU 139 -20.952 -6.734 8.845 612 2HG GLU 139 2HG GLU 139 -22.664 -6.331 8.728 613 H ALA 140 H ALA 140 -22.843 -10.485 6.822 614 HA ALA 140 HA ALA 140 -22.657 -12.878 8.253 615 1HB ALA 140 1HB ALA 140 -24.578 -12.446 6.876 616 2HB ALA 140 2HB ALA 140 -23.572 -12.368 5.430 617 3HB ALA 140 3HB ALA 140 -23.782 -13.902 6.277 618 H ALA 141 H ALA 141 -21.012 -11.676 5.439 619 HA ALA 141 HA ALA 141 -19.549 -13.977 4.777 620 1HB ALA 141 1HB ALA 141 -19.784 -12.163 3.201 621 2HB ALA 141 2HB ALA 141 -18.074 -12.408 3.558 622 3HB ALA 141 3HB ALA 141 -18.943 -11.064 4.296 623 H MET 142 H MET 142 -18.794 -11.123 6.704 624 HA MET 142 HA MET 142 -16.215 -11.688 7.468 625 1HB MET 142 1HB MET 142 -18.450 -10.336 8.959 626 2HB MET 142 2HB MET 142 -16.805 -10.384 9.547 627 1HG MET 142 1HG MET 142 -16.046 -9.111 7.644 628 2HG MET 142 2HG MET 142 -17.676 -9.142 6.958 629 1HE MET 142 1HE MET 142 -17.334 -6.449 6.749 630 2HE MET 142 2HE MET 142 -17.098 -5.392 8.143 631 3HE MET 142 3HE MET 142 -15.808 -6.480 7.630 632 H ALA 143 H ALA 143 -19.222 -12.636 8.816 633 HA ALA 143 HA ALA 143 -18.387 -13.818 11.202 634 1HB ALA 143 1HB ALA 143 -20.600 -14.825 11.268 635 2HB ALA 143 2HB ALA 143 -20.838 -14.396 9.574 636 3HB ALA 143 3HB ALA 143 -20.672 -13.129 10.790 637 H GLU 144 H GLU 144 -19.106 -15.362 8.091 638 HA GLU 144 HA GLU 144 -18.776 -17.983 8.930 639 1HB GLU 144 1HB GLU 144 -18.263 -16.853 6.232 640 2HB GLU 144 2HB GLU 144 -18.595 -18.534 6.606 641 1HG GLU 144 1HG GLU 144 -20.668 -17.044 7.727 642 2HG GLU 144 2HG GLU 144 -20.374 -16.395 6.122 643 H LEU 145 H LEU 145 -16.549 -15.846 7.294 644 HA LEU 145 HA LEU 145 -14.402 -17.700 7.296 645 1HB LEU 145 1HB LEU 145 -14.101 -14.749 6.964 646 2HB LEU 145 2HB LEU 145 -13.238 -16.044 6.176 647 HG LEU 145 HG LEU 145 -16.134 -15.862 5.589 648 H ASN 146 H ASN 146 -15.550 -15.292 9.465 649 HA ASN 146 HA ASN 146 -14.973 -14.699 11.563 650 1HB ASN 146 1HB ASN 146 -14.175 -17.008 11.935 651 2HB ASN 146 2HB ASN 146 -12.631 -16.530 11.270 652 1HD2 ASN 146 1HD2 ASN 146 -14.776 -16.288 13.927 653 1HD2 ASN 146 1HD2 ASN 146 -13.635 -15.634 15.045 654 H TYR 147 H TYR 147 -14.753 -12.906 10.039 655 HA TYR 147 HA TYR 147 -12.196 -11.993 9.207 656 1HB TYR 147 1HB TYR 147 -14.208 -11.330 7.995 657 2HB TYR 147 2HB TYR 147 -14.832 -10.555 9.443 658 HD1 TYR 147 HD1 TYR 147 -14.765 -8.264 9.395 659 HD2 TYR 147 HD2 TYR 147 -11.585 -10.423 7.574 660 HE1 TYR 147 HE1 TYR 147 -13.651 -6.152 8.841 661 HE2 TYR 147 HE2 TYR 147 -10.475 -8.306 7.007 662 HH TYR 147 HH TYR 147 -10.845 -6.028 6.788 663 H ILE 148 H ILE 148 -10.729 -10.907 10.253 664 HA ILE 148 HA ILE 148 -11.488 -9.144 12.470 665 HB ILE 148 HB ILE 148 -8.913 -10.687 12.522 666 HA PRO 149 HA PRO 149 -9.062 -6.639 9.599 667 1HB PRO 149 1HB PRO 149 -9.636 -4.242 10.710 668 2HB PRO 149 2HB PRO 149 -10.764 -5.095 9.645 669 1HG PRO 149 1HG PRO 149 -10.743 -4.905 12.625 670 2HG PRO 149 2HG PRO 149 -12.108 -4.857 11.498 671 1HD PRO 149 1HD PRO 149 -11.397 -7.087 12.926 672 2HD PRO 149 2HD PRO 149 -12.240 -7.151 11.364 673 H ASN 150 H ASN 150 -7.249 -5.016 9.891 674 HA ASN 150 HA ASN 150 -5.794 -5.643 12.340 675 1HB ASN 150 1HB ASN 150 -5.002 -5.333 9.478 676 2HB ASN 150 2HB ASN 150 -3.867 -4.749 10.703 677 1HD2 ASN 150 1HD2 ASN 150 -3.823 -7.004 8.784 678 1HD2 ASN 150 1HD2 ASN 150 -3.469 -8.389 9.755 679 H ARG 151 H ARG 151 -5.451 -4.009 13.668 680 HA ARG 151 HA ARG 151 -6.652 -1.514 13.353 681 1HB ARG 151 1HB ARG 151 -5.194 -2.873 15.354 682 2HB ARG 151 2HB ARG 151 -4.462 -1.288 15.161 683 1HG ARG 151 1HG ARG 151 -6.077 -0.986 16.812 684 2HG ARG 151 2HG ARG 151 -6.830 -0.354 15.345 685 1HD ARG 151 1HD ARG 151 -7.290 -3.220 15.884 686 2HD ARG 151 2HD ARG 151 -8.008 -2.106 17.046 687 HE ARG 151 HE ARG 151 -8.519 -1.506 14.255 688 1HH1 ARG 151 1HH1 ARG 151 -9.658 -3.053 17.186 689 1HH2 ARG 151 1HH2 ARG 151 -10.683 -1.636 13.542 690 2HH1 ARG 151 2HH1 ARG 151 -11.308 -3.134 16.656 691 2HH2 ARG 151 2HH2 ARG 151 -11.898 -2.306 14.587 692 H CYS 152 H CYS 152 -3.471 -2.550 12.370 693 HA CYS 152 HA CYS 152 -2.379 0.105 12.177 694 1HB CYS 152 1HB CYS 152 -1.214 -2.308 12.359 695 2HB CYS 152 2HB CYS 152 -1.235 -2.131 10.609 696 H ALA 153 H ALA 153 -3.252 -2.325 9.790 697 HA ALA 153 HA ALA 153 -3.068 -0.829 7.537 698 1HB ALA 153 1HB ALA 153 -5.305 -2.784 8.062 699 2HB ALA 153 2HB ALA 153 -4.645 -2.320 6.493 700 3HB ALA 153 3HB ALA 153 -3.658 -3.240 7.629 701 H GLN 154 H GLN 154 -5.664 -0.830 9.884 702 HA GLN 154 HA GLN 154 -7.419 0.874 8.464 703 1HB GLN 154 1HB GLN 154 -7.209 0.217 11.402 704 2HB GLN 154 2HB GLN 154 -8.551 1.060 10.648 705 1HG GLN 154 1HG GLN 154 -8.691 -1.020 9.125 706 2HG GLN 154 2HG GLN 154 -7.746 -1.790 10.392 707 H GLN 155 H GLN 155 -5.004 1.330 11.003 708 HA GLN 155 HA GLN 155 -5.379 4.081 11.423 709 1HB GLN 155 1HB GLN 155 -3.096 2.198 11.880 710 2HB GLN 155 2HB GLN 155 -2.896 3.911 12.181 711 1HG GLN 155 1HG GLN 155 -4.282 1.865 13.716 712 2HG GLN 155 2HG GLN 155 -3.578 3.390 14.248 713 H LEU 156 H LEU 156 -3.043 2.350 9.400 714 HA LEU 156 HA LEU 156 -1.776 4.566 8.269 715 1HB LEU 156 1HB LEU 156 -1.244 2.025 8.231 716 2HB LEU 156 2HB LEU 156 -2.265 1.989 6.807 717 HG LEU 156 HG LEU 156 -0.752 3.428 5.606 718 H ALA 157 H ALA 157 -4.071 2.467 6.695 719 HA ALA 157 HA ALA 157 -4.707 4.042 4.521 720 1HB ALA 157 1HB ALA 157 -6.839 2.355 5.777 721 2HB ALA 157 2HB ALA 157 -6.513 2.646 4.069 722 3HB ALA 157 3HB ALA 157 -5.426 1.629 5.015 723 H GLY 158 H GLY 158 -5.955 4.314 7.761 724 1HA GLY 158 1HA GLY 158 -7.548 5.709 8.685 725 2HA GLY 158 2HA GLY 158 -8.132 6.047 7.061 726 H LYS 159 H LYS 159 -4.788 6.486 7.388 727 HA LYS 159 HA LYS 159 -4.874 9.176 8.366 728 1HB LYS 159 1HB LYS 159 -2.941 7.392 8.464 729 2HB LYS 159 2HB LYS 159 -2.520 8.109 6.920 730 1HG LYS 159 1HG LYS 159 -2.756 10.351 8.289 731 2HG LYS 159 2HG LYS 159 -2.402 9.273 9.640 732 1HD LYS 159 1HD LYS 159 -0.298 10.025 8.976 733 2HD LYS 159 2HD LYS 159 -0.440 8.453 8.186 734 1HE LYS 159 1HE LYS 159 0.455 10.057 6.625 735 2HE LYS 159 2HE LYS 159 -1.167 9.592 6.119 736 1HZ LYS 159 1HZ LYS 159 -0.602 12.052 7.685 737 2HZ LYS 159 2HZ LYS 159 -0.654 12.027 5.995 738 3HZ LYS 159 3HZ LYS 159 -2.039 11.645 6.887 739 H GLN 160 H GLN 160 -5.733 7.852 5.478 740 HA GLN 160 HA GLN 160 -4.600 9.586 3.586 741 1HB GLN 160 1HB GLN 160 -6.968 7.815 3.651 742 2HB GLN 160 2HB GLN 160 -6.814 8.948 2.338 743 1HG GLN 160 1HG GLN 160 -4.641 8.008 1.811 744 2HG GLN 160 2HG GLN 160 -4.849 6.837 3.095 745 H SER 161 H SER 161 -7.377 9.813 5.655 746 HA SER 161 HA SER 161 -8.366 12.243 4.479 747 1HB SER 161 1HB SER 161 -9.222 11.412 7.181 748 2HB SER 161 2HB SER 161 -10.188 11.975 5.823 749 HG SER 161 HG SER 161 -10.360 9.993 5.093 750 H LEU 162 H LEU 162 -5.761 11.611 6.348 751 HA LEU 162 HA LEU 162 -5.938 14.130 7.838 752 1HB LEU 162 1HB LEU 162 -4.460 11.598 8.265 753 2HB LEU 162 2HB LEU 162 -3.749 13.069 8.876 754 HG LEU 162 HG LEU 162 -4.919 12.032 10.669 No H/Q in entry = 754 Start of MODEL 2 1 H1 MET 1 H1 MET 1 -0.107 17.855 1.036 2 H2 MET 1 H2 MET 1 -1.253 16.703 0.570 3 H3 MET 1 H3 MET 1 -1.652 17.880 1.717 4 HA MET 1 HA MET 1 -0.114 16.970 3.282 5 1HB MET 1 1HB MET 1 -2.387 16.046 3.250 6 2HB MET 1 2HB MET 1 -1.894 14.850 2.059 7 1HG MET 1 1HG MET 1 -0.161 14.141 3.831 8 2HG MET 1 2HG MET 1 -1.184 15.035 4.953 9 1HE MET 1 1HE MET 1 -3.714 14.525 5.353 10 2HE MET 1 2HE MET 1 -4.139 14.440 3.644 11 3HE MET 1 3HE MET 1 -4.576 13.119 4.727 12 H LYS 2 H LYS 2 2.037 16.713 2.936 13 HA LYS 2 HA LYS 2 2.988 14.131 2.200 14 1HB LYS 2 1HB LYS 2 2.529 15.610 -0.001 15 2HB LYS 2 2HB LYS 2 4.147 16.174 0.382 16 1HG LYS 2 1HG LYS 2 3.412 13.274 0.058 17 2HG LYS 2 2HG LYS 2 4.050 14.283 -1.240 18 1HD LYS 2 1HD LYS 2 5.476 13.874 1.380 19 2HD LYS 2 2HD LYS 2 5.729 12.838 -0.025 20 1HE LYS 2 1HE LYS 2 6.878 14.427 -1.162 21 2HE LYS 2 2HE LYS 2 5.934 15.750 -0.480 22 1HZ LYS 2 1HZ LYS 2 7.158 15.305 1.655 23 2HZ LYS 2 2HZ LYS 2 8.196 14.293 0.778 24 3HZ LYS 2 3HZ LYS 2 8.090 15.940 0.397 25 HA PRO 3 HA PRO 3 5.814 16.493 4.941 26 1HB PRO 3 1HB PRO 3 5.965 14.123 6.561 27 2HB PRO 3 2HB PRO 3 5.250 15.679 6.973 28 1HG PRO 3 1HG PRO 3 3.807 13.371 6.634 29 2HG PRO 3 2HG PRO 3 3.144 15.002 6.409 30 1HD PRO 3 1HD PRO 3 4.101 13.041 4.360 31 2HD PRO 3 2HD PRO 3 2.696 14.131 4.313 32 H VAL 4 H VAL 4 7.908 15.232 6.124 33 HA VAL 4 HA VAL 4 9.503 14.432 3.898 34 HB VAL 4 HB VAL 4 10.285 13.874 6.722 35 H THR 5 H THR 5 10.229 12.448 3.379 36 HA THR 5 HA THR 5 9.336 10.128 4.907 37 HB THR 5 HB THR 5 8.366 9.123 2.730 38 HG1 THR 5 HG1 THR 5 8.515 11.878 2.098 39 H LEU 6 H LEU 6 9.837 8.107 3.367 40 HA LEU 6 HA LEU 6 12.694 8.161 3.167 41 1HB LEU 6 1HB LEU 6 11.844 5.900 1.747 42 2HB LEU 6 2HB LEU 6 12.458 5.964 3.383 43 HG LEU 6 HG LEU 6 9.899 6.519 3.894 44 H TYR 7 H TYR 7 10.089 8.739 0.989 45 HA TYR 7 HA TYR 7 11.435 8.307 -1.448 46 1HB TYR 7 1HB TYR 7 9.063 9.951 -0.615 47 2HB TYR 7 2HB TYR 7 9.677 10.026 -2.258 48 HD1 TYR 7 HD1 TYR 7 7.894 8.024 0.200 49 HD2 TYR 7 HD2 TYR 7 9.479 8.096 -3.744 50 HE1 TYR 7 HE1 TYR 7 6.537 6.061 -0.378 51 HE2 TYR 7 HE2 TYR 7 8.138 6.123 -4.331 52 HH TYR 7 HH TYR 7 5.569 5.112 -2.726 53 H ASP 8 H ASP 8 11.095 11.041 0.703 54 HA ASP 8 HA ASP 8 12.295 12.997 -0.932 55 1HB ASP 8 1HB ASP 8 11.742 12.704 2.028 56 2HB ASP 8 2HB ASP 8 12.600 14.107 1.409 57 H VAL 9 H VAL 9 13.522 11.228 1.906 58 HA VAL 9 HA VAL 9 16.115 12.225 1.488 59 HB VAL 9 HB VAL 9 16.570 11.462 3.484 60 H ALA 10 H ALA 10 14.441 9.534 0.138 61 HA ALA 10 HA ALA 10 16.774 8.167 -0.813 62 1HB ALA 10 1HB ALA 10 13.974 8.047 -1.923 63 2HB ALA 10 2HB ALA 10 15.272 6.885 -2.200 64 3HB ALA 10 3HB ALA 10 14.567 7.054 -0.590 65 H GLU 11 H GLU 11 14.664 10.686 -1.896 66 HA GLU 11 HA GLU 11 15.580 10.914 -4.577 67 1HB GLU 11 1HB GLU 11 13.672 12.130 -2.846 68 2HB GLU 11 2HB GLU 11 14.637 13.411 -3.547 69 1HG GLU 11 1HG GLU 11 14.087 12.717 -5.749 70 2HG GLU 11 2HG GLU 11 13.304 11.259 -5.161 71 H TYR 12 H TYR 12 16.266 12.434 -1.559 72 HA TYR 12 HA TYR 12 18.190 14.323 -2.281 73 1HB TYR 12 1HB TYR 12 16.854 13.518 -0.055 74 2HB TYR 12 2HB TYR 12 18.475 12.976 0.287 75 HD1 TYR 12 HD1 TYR 12 16.878 16.063 -1.106 76 HD2 TYR 12 HD2 TYR 12 19.724 14.364 1.543 77 HE1 TYR 12 HE1 TYR 12 17.474 18.310 -0.308 78 HE2 TYR 12 HE2 TYR 12 20.323 16.576 2.350 79 HH TYR 12 HH TYR 12 20.207 18.840 1.803 80 H ALA 13 H ALA 13 18.556 11.256 -0.705 81 HA ALA 13 HA ALA 13 21.335 11.075 -0.837 82 1HB ALA 13 1HB ALA 13 19.230 8.983 -0.463 83 2HB ALA 13 2HB ALA 13 20.229 9.771 0.760 84 3HB ALA 13 3HB ALA 13 20.956 8.628 -0.371 85 H GLY 14 H GLY 14 19.036 10.561 -3.312 86 1HA GLY 14 1HA GLY 14 21.129 9.949 -5.188 87 2HA GLY 14 2HA GLY 14 19.417 10.118 -5.556 88 H VAL 15 H VAL 15 18.378 8.231 -3.817 89 HA VAL 15 HA VAL 15 19.260 5.746 -5.060 90 HB VAL 15 HB VAL 15 19.026 4.550 -2.898 91 H SER 16 H SER 16 17.481 4.121 -3.643 92 HA SER 16 HA SER 16 14.892 5.224 -4.500 93 1HB SER 16 1HB SER 16 14.155 3.008 -4.959 94 2HB SER 16 2HB SER 16 15.768 3.128 -5.653 95 HG SER 16 HG SER 16 16.580 1.935 -3.988 96 H VAL 17 H VAL 17 13.064 3.901 -3.209 97 HA VAL 17 HA VAL 17 13.436 4.710 -0.489 98 HB VAL 17 HB VAL 17 11.155 3.943 -0.159 99 H ALA 18 H ALA 18 14.061 1.959 -2.303 100 HA ALA 18 HA ALA 18 13.699 0.002 -0.265 101 1HB ALA 18 1HB ALA 18 15.203 -0.019 -2.874 102 2HB ALA 18 2HB ALA 18 15.091 -1.418 -1.804 103 3HB ALA 18 3HB ALA 18 13.632 -0.737 -2.527 104 H THR 19 H THR 19 16.327 2.076 -1.428 105 HA THR 19 HA THR 19 18.361 0.857 0.106 106 HB THR 19 HB THR 19 18.550 3.739 -0.523 107 HG1 THR 19 HG1 THR 19 18.951 2.210 -2.760 108 H VAL 20 H VAL 20 16.299 3.636 0.546 109 HA VAL 20 HA VAL 20 17.285 4.410 3.067 110 HB VAL 20 HB VAL 20 14.682 5.035 1.692 111 H SER 21 H SER 21 14.431 2.416 2.218 112 HA SER 21 HA SER 21 13.525 2.087 4.831 113 1HB SER 21 1HB SER 21 12.499 -0.057 3.939 114 2HB SER 21 2HB SER 21 12.060 1.416 3.073 115 HG SER 21 HG SER 21 13.337 0.845 1.413 116 H ARG 22 H ARG 22 16.118 0.569 3.004 117 HA ARG 22 HA ARG 22 16.619 -1.563 4.772 118 1HB ARG 22 1HB ARG 22 18.412 -0.029 2.928 119 2HB ARG 22 2HB ARG 22 18.991 -1.351 3.905 120 1HG ARG 22 1HG ARG 22 16.636 -1.850 2.186 121 2HG ARG 22 2HG ARG 22 18.219 -1.718 1.423 122 1HD ARG 22 1HD ARG 22 18.098 -3.982 1.862 123 2HD ARG 22 2HD ARG 22 18.952 -3.387 3.284 124 HE ARG 22 HE ARG 22 16.112 -4.155 3.189 125 1HH1 ARG 22 1HH1 ARG 22 19.043 -3.560 5.024 126 1HH2 ARG 22 1HH2 ARG 22 15.251 -4.954 5.167 127 2HH1 ARG 22 2HH1 ARG 22 18.376 -4.146 6.511 128 2HH2 ARG 22 2HH2 ARG 22 16.237 -4.947 6.593 129 H VAL 23 H VAL 23 17.893 1.707 4.582 130 HA VAL 23 HA VAL 23 19.644 1.462 6.810 131 HB VAL 23 HB VAL 23 18.431 3.964 5.642 132 H VAL 24 H VAL 24 16.388 2.709 6.345 133 HA VAL 24 HA VAL 24 15.808 3.453 8.969 134 HB VAL 24 HB VAL 24 14.231 2.577 6.571 135 H ASN 25 H ASN 25 15.955 0.456 7.328 136 HA ASN 25 HA ASN 25 14.893 -1.089 9.605 137 1HB ASN 25 1HB ASN 25 15.275 -1.589 6.711 138 2HB ASN 25 2HB ASN 25 15.518 -2.966 7.775 139 1HD2 ASN 25 1HD2 ASN 25 13.312 -0.973 6.188 140 1HD2 ASN 25 1HD2 ASN 25 11.851 -1.671 6.827 141 H GLN 26 H GLN 26 17.606 0.232 9.447 142 HA GLN 26 HA GLN 26 19.638 -0.199 10.341 143 1HB GLN 26 1HB GLN 26 19.232 -3.083 10.787 144 2HB GLN 26 2HB GLN 26 20.011 -1.895 11.810 145 1HG GLN 26 1HG GLN 26 17.092 -2.423 11.477 146 2HG GLN 26 2HG GLN 26 18.060 -2.611 12.935 147 H ALA 27 H ALA 27 19.702 0.085 7.962 148 HA ALA 27 HA ALA 27 20.167 -0.759 5.792 149 1HB ALA 27 1HB ALA 27 22.453 0.131 7.474 150 2HB ALA 27 2HB ALA 27 22.661 -0.195 5.757 151 3HB ALA 27 3HB ALA 27 21.510 1.031 6.291 152 H SER 28 H SER 28 22.783 -2.115 7.829 153 HA SER 28 HA SER 28 23.984 -3.991 7.658 154 1HB SER 28 1HB SER 28 21.394 -5.031 6.605 155 2HB SER 28 2HB SER 28 22.757 -6.066 7.008 156 HG SER 28 HG SER 28 21.304 -4.345 8.753 157 H HIS 29 H HIS 29 22.069 -4.561 4.746 158 HA HIS 29 HA HIS 29 24.442 -5.094 3.246 159 1HB HIS 29 1HB HIS 29 21.535 -5.181 2.647 160 2HB HIS 29 2HB HIS 29 22.642 -5.033 1.286 161 HD1 HIS 29 HD1 HIS 29 21.701 -7.466 0.655 162 HD2 HIS 29 HD2 HIS 29 24.068 -7.240 4.053 163 HE1 HIS 29 HE1 HIS 29 22.423 -9.821 1.130 164 HE2 HIS 29 HE2 HIS 29 24.036 -9.616 3.050 165 H VAL 30 H VAL 30 22.600 -2.285 3.775 166 HA VAL 30 HA VAL 30 23.088 -0.890 1.392 167 HB VAL 30 HB VAL 30 21.991 -0.267 3.977 168 H SER 31 H SER 31 24.808 -0.681 4.444 169 HA SER 31 HA SER 31 27.131 -0.936 4.762 170 1HB SER 31 1HB SER 31 27.605 0.378 2.077 171 2HB SER 31 2HB SER 31 28.786 -0.420 3.116 172 HG SER 31 HG SER 31 26.692 -1.598 1.609 173 H ALA 32 H ALA 32 28.681 0.663 5.418 174 HA ALA 32 HA ALA 32 27.578 2.796 6.726 175 1HB ALA 32 1HB ALA 32 29.832 3.589 7.112 176 2HB ALA 32 2HB ALA 32 30.430 2.574 5.803 177 3HB ALA 32 3HB ALA 32 29.751 1.833 7.251 178 H LYS 33 H LYS 33 29.304 2.997 3.591 179 HA LYS 33 HA LYS 33 29.231 5.747 3.328 180 1HB LYS 33 1HB LYS 33 29.724 3.489 1.606 181 2HB LYS 33 2HB LYS 33 28.958 4.808 0.736 182 1HG LYS 33 1HG LYS 33 31.449 4.823 0.685 183 2HG LYS 33 2HG LYS 33 30.717 6.308 1.293 184 1HD LYS 33 1HD LYS 33 31.184 4.451 3.443 185 2HD LYS 33 2HD LYS 33 32.672 4.733 2.539 186 1HE LYS 33 1HE LYS 33 32.689 6.996 3.032 187 2HE LYS 33 2HE LYS 33 30.959 7.045 3.355 188 1HZ LYS 33 1HZ LYS 33 32.591 5.384 5.106 189 2HZ LYS 33 2HZ LYS 33 32.758 7.059 5.271 190 3HZ LYS 33 3HZ LYS 33 31.237 6.336 5.472 191 H THR 34 H THR 34 26.938 3.442 2.001 192 HA THR 34 HA THR 34 25.154 5.407 1.038 193 HB THR 34 HB THR 34 24.565 2.578 1.765 194 HG1 THR 34 HG1 THR 34 24.816 2.321 -0.596 195 H ARG 35 H ARG 35 25.233 3.497 4.002 196 HA ARG 35 HA ARG 35 22.896 4.326 5.172 197 1HB ARG 35 1HB ARG 35 24.219 2.623 6.214 198 2HB ARG 35 2HB ARG 35 25.585 3.711 6.401 199 1HG ARG 35 1HG ARG 35 23.081 4.487 7.747 200 2HG ARG 35 2HG ARG 35 23.944 3.101 8.392 201 1HD ARG 35 1HD ARG 35 25.979 4.485 8.444 202 2HD ARG 35 2HD ARG 35 24.994 5.849 7.950 203 HE ARG 35 HE ARG 35 23.703 5.458 10.061 204 1HH1 ARG 35 1HH1 ARG 35 27.088 4.545 9.800 205 1HH2 ARG 35 1HH2 ARG 35 24.077 5.517 12.303 206 2HH1 ARG 35 2HH1 ARG 35 27.353 4.604 11.514 207 2HH2 ARG 35 2HH2 ARG 35 25.655 5.161 12.927 208 H GLU 36 H GLU 36 25.993 5.906 5.111 209 HA GLU 36 HA GLU 36 25.266 8.164 6.691 210 1HB GLU 36 1HB GLU 36 27.507 7.626 4.804 211 2HB GLU 36 2HB GLU 36 27.297 9.207 5.511 212 1HG GLU 36 1HG GLU 36 27.612 8.360 7.675 213 2HG GLU 36 2HG GLU 36 27.554 6.702 7.094 214 H LYS 37 H LYS 37 25.293 7.389 3.322 215 HA LYS 37 HA LYS 37 24.757 9.793 2.091 216 1HB LYS 37 1HB LYS 37 25.277 7.661 0.944 217 2HB LYS 37 2HB LYS 37 23.711 7.043 1.426 218 1HG LYS 37 1HG LYS 37 22.806 9.119 0.175 219 2HG LYS 37 2HG LYS 37 24.366 9.052 -0.655 220 1HD LYS 37 1HD LYS 37 22.508 6.693 -0.379 221 2HD LYS 37 2HD LYS 37 22.492 7.785 -1.767 222 1HE LYS 37 1HE LYS 37 24.777 6.056 -0.845 223 2HE LYS 37 2HE LYS 37 23.779 5.805 -2.266 224 1HZ LYS 37 1HZ LYS 37 24.627 8.062 -3.010 225 2HZ LYS 37 2HZ LYS 37 25.812 7.897 -1.811 226 3HZ LYS 37 3HZ LYS 37 25.715 6.771 -3.069 227 H VAL 38 H VAL 38 22.495 7.455 3.309 228 HA VAL 38 HA VAL 38 20.227 9.106 2.667 229 HB VAL 38 HB VAL 38 18.874 7.354 2.909 230 H GLU 39 H GLU 39 21.984 8.202 5.613 231 HA GLU 39 HA GLU 39 20.125 9.175 7.443 232 1HB GLU 39 1HB GLU 39 23.100 8.765 7.489 233 2HB GLU 39 2HB GLU 39 22.242 9.417 8.865 234 1HG GLU 39 1HG GLU 39 20.831 7.138 8.035 235 2HG GLU 39 2HG GLU 39 22.543 6.717 8.052 236 H ALA 40 H ALA 40 22.748 10.650 5.670 237 HA ALA 40 HA ALA 40 22.634 13.159 6.880 238 1HB ALA 40 1HB ALA 40 24.483 12.388 5.405 239 2HB ALA 40 2HB ALA 40 23.411 12.598 4.020 240 3HB ALA 40 3HB ALA 40 23.880 13.992 4.994 241 H ALA 41 H ALA 41 20.944 11.769 4.168 242 HA ALA 41 HA ALA 41 19.533 14.059 3.364 243 1HB ALA 41 1HB ALA 41 18.831 11.140 3.064 244 2HB ALA 41 2HB ALA 41 18.061 12.470 2.199 245 3HB ALA 41 3HB ALA 41 19.766 12.113 1.928 246 H MET 42 H MET 42 18.733 11.360 5.493 247 HA MET 42 HA MET 42 16.165 12.027 6.214 248 1HB MET 42 1HB MET 42 18.385 10.771 7.814 249 2HB MET 42 2HB MET 42 16.741 10.887 8.395 250 1HG MET 42 1HG MET 42 15.982 9.484 6.552 251 2HG MET 42 2HG MET 42 17.643 9.383 5.955 252 1HE MET 42 1HE MET 42 15.739 6.962 6.563 253 2HE MET 42 2HE MET 42 17.389 6.556 6.094 254 3HE MET 42 3HE MET 42 16.675 5.825 7.534 255 H ALA 43 H ALA 43 19.205 13.044 7.447 256 HA ALA 43 HA ALA 43 18.359 14.467 9.713 257 1HB ALA 43 1HB ALA 43 20.602 15.464 9.693 258 2HB ALA 43 2HB ALA 43 20.634 13.714 9.483 259 3HB ALA 43 3HB ALA 43 20.869 14.773 8.093 260 H GLU 44 H GLU 44 19.194 15.679 6.482 261 HA GLU 44 HA GLU 44 18.934 18.386 7.056 262 1HB GLU 44 1HB GLU 44 18.405 17.034 4.456 263 2HB GLU 44 2HB GLU 44 18.829 18.716 4.696 264 1HG GLU 44 1HG GLU 44 20.850 17.364 5.958 265 2HG GLU 44 2HG GLU 44 20.484 16.377 4.551 266 H LEU 45 H LEU 45 16.661 16.137 5.641 267 HA LEU 45 HA LEU 45 14.546 18.023 5.442 268 1HB LEU 45 1HB LEU 45 14.278 15.042 5.358 269 2HB LEU 45 2HB LEU 45 13.355 16.251 4.499 270 HG LEU 45 HG LEU 45 16.262 16.022 3.888 271 H ASN 46 H ASN 46 15.639 15.812 7.845 272 HA ASN 46 HA ASN 46 15.008 15.415 9.976 273 1HB ASN 46 1HB ASN 46 14.371 17.748 10.207 274 2HB ASN 46 2HB ASN 46 12.842 17.402 9.440 275 1HD2 ASN 46 1HD2 ASN 46 14.773 16.900 12.255 276 1HD2 ASN 46 1HD2 ASN 46 13.462 16.529 13.313 277 H TYR 47 H TYR 47 14.685 13.556 8.495 278 HA TYR 47 HA TYR 47 12.088 12.678 7.783 279 1HB TYR 47 1HB TYR 47 13.986 11.856 6.554 280 2HB TYR 47 2HB TYR 47 14.724 11.234 8.022 281 HD1 TYR 47 HD1 TYR 47 14.632 8.943 8.310 282 HD2 TYR 47 HD2 TYR 47 11.446 10.861 6.238 283 HE1 TYR 47 HE1 TYR 47 13.541 6.779 7.986 284 HE2 TYR 47 HE2 TYR 47 10.355 8.679 5.903 285 HH TYR 47 HH TYR 47 10.608 6.455 6.060 286 H ILE 48 H ILE 48 10.609 11.583 8.861 287 HA ILE 48 HA ILE 48 11.379 9.983 11.182 288 HB ILE 48 HB ILE 48 9.067 11.940 11.132 289 HA PRO 49 HA PRO 49 8.844 7.356 8.585 290 1HB PRO 49 1HB PRO 49 9.289 5.034 9.887 291 2HB PRO 49 2HB PRO 49 10.507 5.773 8.836 292 1HG PRO 49 1HG PRO 49 10.327 5.743 11.810 293 2HG PRO 49 2HG PRO 49 11.752 5.656 10.758 294 1HD PRO 49 1HD PRO 49 10.881 7.946 12.067 295 2HD PRO 49 2HD PRO 49 11.949 7.929 10.645 296 H ASN 50 H ASN 50 6.987 5.711 9.013 297 HA ASN 50 HA ASN 50 5.453 6.712 11.280 298 1HB ASN 50 1HB ASN 50 4.817 6.100 8.471 299 2HB ASN 50 2HB ASN 50 3.688 5.402 9.632 300 1HD2 ASN 50 1HD2 ASN 50 4.615 8.131 7.954 301 1HD2 ASN 50 1HD2 ASN 50 3.532 9.239 8.715 302 H ARG 51 H ARG 51 5.079 5.316 12.838 303 HA ARG 51 HA ARG 51 6.297 2.831 12.995 304 1HB ARG 51 1HB ARG 51 5.390 4.380 14.836 305 2HB ARG 51 2HB ARG 51 3.898 3.489 14.620 306 1HG ARG 51 1HG ARG 51 5.108 2.528 16.432 307 2HG ARG 51 2HG ARG 51 5.130 1.394 15.092 308 1HD ARG 51 1HD ARG 51 7.379 2.705 14.573 309 2HD ARG 51 2HD ARG 51 7.306 2.957 16.307 310 HE ARG 51 HE ARG 51 7.027 0.419 16.382 311 1HH1 ARG 51 1HH1 ARG 51 8.976 2.126 14.032 312 1HH2 ARG 51 1HH2 ARG 51 8.428 -1.339 16.033 313 2HH1 ARG 51 2HH1 ARG 51 10.051 0.790 13.774 314 2HH2 ARG 51 2HH2 ARG 51 9.729 -1.187 14.893 315 H CYS 52 H CYS 52 3.145 3.596 11.700 316 HA CYS 52 HA CYS 52 2.225 0.851 11.893 317 1HB CYS 52 1HB CYS 52 0.877 3.177 11.898 318 2HB CYS 52 2HB CYS 52 0.821 2.801 10.179 319 H ALA 53 H ALA 53 3.044 3.124 9.335 320 HA ALA 53 HA ALA 53 2.867 1.461 7.165 321 1HB ALA 53 1HB ALA 53 3.457 3.871 7.076 322 2HB ALA 53 2HB ALA 53 5.084 3.462 7.615 323 3HB ALA 53 3HB ALA 53 4.496 2.870 6.063 324 H GLN 54 H GLN 54 5.453 1.703 9.534 325 HA GLN 54 HA GLN 54 7.236 -0.140 8.346 326 1HB GLN 54 1HB GLN 54 6.919 0.811 11.193 327 2HB GLN 54 2HB GLN 54 8.274 -0.129 10.595 328 1HG GLN 54 1HG GLN 54 8.538 1.769 8.874 329 2HG GLN 54 2HG GLN 54 7.542 2.691 9.993 330 H GLN 55 H GLN 55 4.776 -0.356 10.857 331 HA GLN 55 HA GLN 55 5.155 -3.051 11.539 332 1HB GLN 55 1HB GLN 55 2.886 -1.135 11.827 333 2HB GLN 55 2HB GLN 55 2.637 -2.825 12.218 334 1HG GLN 55 1HG GLN 55 4.034 -0.730 13.662 335 2HG GLN 55 2HG GLN 55 3.305 -2.224 14.264 336 H LEU 56 H LEU 56 2.929 -1.534 9.253 337 HA LEU 56 HA LEU 56 1.689 -3.889 8.356 338 1HB LEU 56 1HB LEU 56 1.104 -1.382 8.040 339 2HB LEU 56 2HB LEU 56 2.152 -1.482 6.634 340 HG LEU 56 HG LEU 56 0.720 -3.205 5.665 341 H ALA 57 H ALA 57 4.014 -1.924 6.643 342 HA ALA 57 HA ALA 57 4.646 -3.730 4.637 343 1HB ALA 57 1HB ALA 57 5.283 -1.287 4.765 344 2HB ALA 57 2HB ALA 57 6.668 -1.792 5.729 345 3HB ALA 57 3HB ALA 57 6.487 -2.371 4.071 346 H GLY 58 H GLY 58 5.932 -3.555 7.877 347 1HA GLY 58 1HA GLY 58 7.594 -4.767 8.932 348 2HA GLY 58 2HA GLY 58 8.071 -5.412 7.371 349 H LYS 59 H LYS 59 4.831 -5.840 7.575 350 HA LYS 59 HA LYS 59 4.747 -8.184 9.224 351 1HB LYS 59 1HB LYS 59 2.847 -6.498 8.696 352 2HB LYS 59 2HB LYS 59 2.650 -7.456 7.240 353 1HG LYS 59 1HG LYS 59 2.672 -9.405 9.103 354 2HG LYS 59 2HG LYS 59 1.938 -8.082 10.011 355 1HD LYS 59 1HD LYS 59 0.101 -9.116 9.035 356 2HD LYS 59 2HD LYS 59 0.443 -7.792 7.920 357 1HE LYS 59 1HE LYS 59 0.016 -9.818 6.671 358 2HE LYS 59 2HE LYS 59 1.706 -9.353 6.492 359 1HZ LYS 59 1HZ LYS 59 2.295 -11.004 8.160 360 2HZ LYS 59 2HZ LYS 59 0.673 -11.457 8.321 361 3HZ LYS 59 3HZ LYS 59 1.488 -11.718 6.859 362 H GLN 60 H GLN 60 5.877 -7.581 6.162 363 HA GLN 60 HA GLN 60 5.018 -9.934 4.837 364 1HB GLN 60 1HB GLN 60 7.172 -7.958 4.277 365 2HB GLN 60 2HB GLN 60 6.862 -9.323 3.250 366 1HG GLN 60 1HG GLN 60 4.637 -8.539 2.843 367 2HG GLN 60 2HG GLN 60 4.908 -7.182 3.913 368 H SER 61 H SER 61 6.839 -11.361 3.863 369 HA SER 61 HA SER 61 9.021 -11.905 5.668 370 1HB SER 61 1HB SER 61 6.909 -13.973 5.159 371 2HB SER 61 2HB SER 61 8.415 -14.251 6.019 372 HG SER 61 HG SER 61 7.048 -12.135 7.035 373 H LEU 62 H LEU 62 7.210 -13.555 3.133 374 HA LEU 62 HA LEU 62 9.470 -13.365 1.325 375 1HB LEU 62 1HB LEU 62 8.368 -15.939 2.354 376 2HB LEU 62 2HB LEU 62 9.142 -15.855 0.789 377 HG LEU 62 HG LEU 62 10.494 -15.028 3.355 378 H1 MET 101 H1 MET 101 -0.081 -17.818 2.634 379 H2 MET 101 H2 MET 101 0.956 -16.671 1.950 380 H3 MET 101 H3 MET 101 1.517 -17.685 3.180 381 HA MET 101 HA MET 101 0.001 -16.687 4.747 382 1HB MET 101 1HB MET 101 2.267 -15.743 4.470 383 2HB MET 101 2HB MET 101 1.652 -14.647 3.242 384 1HG MET 101 1HG MET 101 0.042 -13.836 5.076 385 2HG MET 101 2HG MET 101 1.143 -14.645 6.187 386 1HE MET 101 1HE MET 101 3.710 -14.088 6.347 387 2HE MET 101 2HE MET 101 3.985 -14.093 4.605 388 3HE MET 101 3HE MET 101 4.490 -12.709 5.576 389 H LYS 102 H LYS 102 -2.196 -16.576 4.365 390 HA LYS 102 HA LYS 102 -3.206 -14.050 3.496 391 1HB LYS 102 1HB LYS 102 -2.787 -15.666 1.390 392 2HB LYS 102 2HB LYS 102 -4.385 -16.224 1.857 393 1HG LYS 102 1HG LYS 102 -3.740 -13.326 1.363 394 2HG LYS 102 2HG LYS 102 -4.321 -14.417 0.105 395 1HD LYS 102 1HD LYS 102 -5.782 -13.900 2.691 396 2HD LYS 102 2HD LYS 102 -6.089 -13.012 1.195 397 1HE LYS 102 1HE LYS 102 -7.303 -14.687 0.336 398 2HE LYS 102 2HE LYS 102 -6.111 -15.898 0.809 399 1HZ LYS 102 1HZ LYS 102 -7.056 -15.656 3.118 400 2HZ LYS 102 2HZ LYS 102 -8.344 -14.800 2.422 401 3HZ LYS 102 3HZ LYS 102 -8.053 -16.413 1.983 402 HA PRO 103 HA PRO 103 -5.968 -16.177 6.480 403 1HB PRO 103 1HB PRO 103 -6.115 -13.681 7.884 404 2HB PRO 103 2HB PRO 103 -5.367 -15.183 8.416 405 1HG PRO 103 1HG PRO 103 -3.975 -12.883 7.835 406 2HG PRO 103 2HG PRO 103 -3.285 -14.516 7.782 407 1HD PRO 103 1HD PRO 103 -4.260 -12.792 5.537 408 2HD PRO 103 2HD PRO 103 -2.859 -13.889 5.595 409 H VAL 104 H VAL 104 -8.036 -14.811 7.583 410 HA VAL 104 HA VAL 104 -9.681 -14.224 5.334 411 HB VAL 104 HB VAL 104 -10.405 -13.375 8.099 412 H THR 105 H THR 105 -10.386 -12.295 4.621 413 HA THR 105 HA THR 105 -9.475 -9.839 5.920 414 HB THR 105 HB THR 105 -8.556 -9.039 3.639 415 HG1 THR 105 HG1 THR 105 -8.352 -11.873 3.335 416 H LEU 106 H LEU 106 -10.013 -7.971 4.211 417 HA LEU 106 HA LEU 106 -12.878 -8.055 4.051 418 1HB LEU 106 1HB LEU 106 -12.045 -5.914 2.441 419 2HB LEU 106 2HB LEU 106 -12.649 -5.847 4.082 420 HG LEU 106 HG LEU 106 -10.089 -6.358 4.623 421 H TYR 107 H TYR 107 -10.276 -8.799 1.909 422 HA TYR 107 HA TYR 107 -11.633 -8.587 -0.548 423 1HB TYR 107 1HB TYR 107 -9.252 -10.159 0.409 424 2HB TYR 107 2HB TYR 107 -9.872 -10.354 -1.222 425 HD1 TYR 107 HD1 TYR 107 -8.059 -8.178 1.064 426 HD2 TYR 107 HD2 TYR 107 -9.695 -8.528 -2.840 427 HE1 TYR 107 HE1 TYR 107 -6.684 -6.284 0.325 428 HE2 TYR 107 HE2 TYR 107 -8.335 -6.625 -3.594 429 HH TYR 107 HH TYR 107 -5.742 -5.545 -2.180 430 H ASP 108 H ASP 108 -11.265 -11.131 1.824 431 HA ASP 108 HA ASP 108 -12.475 -13.201 0.347 432 1HB ASP 108 1HB ASP 108 -11.796 -12.742 3.251 433 2HB ASP 108 2HB ASP 108 -12.714 -14.158 2.763 434 H VAL 109 H VAL 109 -13.680 -11.226 3.056 435 HA VAL 109 HA VAL 109 -16.266 -12.291 2.764 436 HB VAL 109 HB VAL 109 -16.702 -11.369 4.699 437 H ALA 110 H ALA 110 -14.648 -9.721 1.156 438 HA ALA 110 HA ALA 110 -17.014 -8.464 0.136 439 1HB ALA 110 1HB ALA 110 -14.233 -8.392 -1.023 440 2HB ALA 110 2HB ALA 110 -15.554 -7.277 -1.370 441 3HB ALA 110 3HB ALA 110 -14.825 -7.306 0.237 442 H GLU 111 H GLU 111 -14.871 -11.013 -0.787 443 HA GLU 111 HA GLU 111 -15.798 -11.473 -3.428 444 1HB GLU 111 1HB GLU 111 -13.870 -12.520 -1.636 445 2HB GLU 111 2HB GLU 111 -14.859 -13.870 -2.149 446 1HG GLU 111 1HG GLU 111 -14.242 -13.666 -4.352 447 2HG GLU 111 2HG GLU 111 -13.790 -11.975 -4.180 448 H TYR 112 H TYR 112 -16.479 -12.733 -0.293 449 HA TYR 112 HA TYR 112 -18.404 -14.674 -0.865 450 1HB TYR 112 1HB TYR 112 -17.068 -13.712 1.291 451 2HB TYR 112 2HB TYR 112 -18.677 -13.112 1.580 452 HD1 TYR 112 HD1 TYR 112 -17.202 -16.356 0.420 453 HD2 TYR 112 HD2 TYR 112 -19.889 -14.342 3.018 454 HE1 TYR 112 HE1 TYR 112 -17.850 -18.508 1.421 455 HE2 TYR 112 HE2 TYR 112 -20.536 -16.462 4.024 456 HH TYR 112 HH TYR 112 -20.409 -18.690 3.883 457 H ALA 113 H ALA 113 -18.803 -11.510 0.518 458 HA ALA 113 HA ALA 113 -21.561 -11.331 0.406 459 1HB ALA 113 1HB ALA 113 -20.377 -9.880 1.834 460 2HB ALA 113 2HB ALA 113 -21.199 -8.861 0.655 461 3HB ALA 113 3HB ALA 113 -19.473 -9.184 0.492 462 H GLY 114 H GLY 114 -19.319 -10.990 -2.149 463 1HA GLY 114 1HA GLY 114 -21.451 -10.582 -4.040 464 2HA GLY 114 2HA GLY 114 -19.741 -10.776 -4.418 465 H VAL 115 H VAL 115 -18.687 -8.758 -2.861 466 HA VAL 115 HA VAL 115 -19.574 -6.379 -4.294 467 HB VAL 115 HB VAL 115 -19.319 -5.018 -2.241 468 H SER 116 H SER 116 -17.786 -4.643 -3.065 469 HA SER 116 HA SER 116 -15.202 -5.818 -3.846 470 1HB SER 116 1HB SER 116 -14.482 -3.659 -4.527 471 2HB SER 116 2HB SER 116 -16.116 -3.831 -5.164 472 HG SER 116 HG SER 116 -16.878 -2.516 -3.559 473 H VAL 117 H VAL 117 -13.359 -4.402 -2.698 474 HA VAL 117 HA VAL 117 -13.685 -4.971 0.086 475 HB VAL 117 HB VAL 117 -11.398 -4.155 0.301 476 H ALA 118 H ALA 118 -14.349 -2.390 -1.950 477 HA ALA 118 HA ALA 118 -13.962 -0.268 -0.086 478 1HB ALA 118 1HB ALA 118 -15.414 -0.506 -2.703 479 2HB ALA 118 2HB ALA 118 -15.476 0.965 -1.730 480 3HB ALA 118 3HB ALA 118 -13.931 0.373 -2.339 481 H THR 119 H THR 119 -16.596 -2.437 -1.023 482 HA THR 119 HA THR 119 -18.619 -1.094 0.416 483 HB THR 119 HB THR 119 -18.782 -4.024 0.056 484 HG1 THR 119 HG1 THR 119 -19.150 -2.531 -2.269 485 H VAL 120 H VAL 120 -16.530 -3.808 1.087 486 HA VAL 120 HA VAL 120 -17.495 -4.348 3.674 487 HB VAL 120 HB VAL 120 -14.909 -5.098 2.336 488 H SER 121 H SER 121 -14.646 -2.450 2.620 489 HA SER 121 HA SER 121 -13.718 -1.875 5.174 490 1HB SER 121 1HB SER 121 -12.718 0.194 4.086 491 2HB SER 121 2HB SER 121 -12.271 -1.345 3.355 492 HG SER 121 HG SER 121 -13.528 -0.932 1.647 493 H ARG 122 H ARG 122 -16.350 -0.546 3.259 494 HA ARG 122 HA ARG 122 -16.853 1.727 4.843 495 1HB ARG 122 1HB ARG 122 -18.630 0.016 3.145 496 2HB ARG 122 2HB ARG 122 -19.233 1.400 4.016 497 1HG ARG 122 1HG ARG 122 -16.895 1.785 2.240 498 2HG ARG 122 2HG ARG 122 -18.492 1.605 1.514 499 1HD ARG 122 1HD ARG 122 -18.390 3.889 1.793 500 2HD ARG 122 2HD ARG 122 -19.171 3.404 3.297 501 HE ARG 122 HE ARG 122 -16.323 4.102 3.014 502 1HH1 ARG 122 1HH1 ARG 122 -19.224 3.850 4.988 503 1HH2 ARG 122 1HH2 ARG 122 -15.372 5.066 4.864 504 2HH1 ARG 122 2HH1 ARG 122 -18.477 4.575 6.377 505 2HH2 ARG 122 2HH2 ARG 122 -16.315 5.270 6.302 506 H VAL 123 H VAL 123 -18.097 -1.561 4.949 507 HA VAL 123 HA VAL 123 -19.812 -1.128 7.172 508 HB VAL 123 HB VAL 123 -18.616 -3.725 6.210 509 H VAL 124 H VAL 124 -16.551 -2.346 6.765 510 HA VAL 124 HA VAL 124 -15.921 -2.874 9.434 511 HB VAL 124 HB VAL 124 -14.379 -2.163 6.954 512 H ASN 125 H ASN 125 -16.126 -0.027 7.537 513 HA ASN 125 HA ASN 125 -15.046 1.728 9.644 514 1HB ASN 125 1HB ASN 125 -15.505 1.964 6.725 515 2HB ASN 125 2HB ASN 125 -15.774 3.425 7.667 516 1HD2 ASN 125 1HD2 ASN 125 -13.514 1.274 6.310 517 1HD2 ASN 125 1HD2 ASN 125 -12.072 2.110 6.815 518 H GLN 126 H GLN 126 -17.721 0.337 9.674 519 HA GLN 126 HA GLN 126 -19.753 0.767 10.542 520 1HB GLN 126 1HB GLN 126 -19.472 3.679 10.823 521 2HB GLN 126 2HB GLN 126 -20.147 2.506 11.934 522 1HG GLN 126 1HG GLN 126 -17.274 3.179 11.482 523 2HG GLN 126 2HG GLN 126 -18.209 3.423 12.952 524 H ALA 127 H ALA 127 -19.871 0.331 8.198 525 HA ALA 127 HA ALA 127 -20.373 0.978 5.988 526 1HB ALA 127 1HB ALA 127 -22.651 0.283 7.774 527 2HB ALA 127 2HB ALA 127 -22.862 0.435 6.030 528 3HB ALA 127 3HB ALA 127 -21.721 -0.740 6.684 529 H SER 128 H SER 128 -22.902 2.564 7.950 530 HA SER 128 HA SER 128 -24.066 4.444 7.642 531 1HB SER 128 1HB SER 128 -21.528 5.328 6.339 532 2HB SER 128 2HB SER 128 -22.840 6.418 6.773 533 HG SER 128 HG SER 128 -21.464 4.712 8.592 534 H HIS 129 H HIS 129 -22.290 4.733 4.609 535 HA HIS 129 HA HIS 129 -24.743 5.099 3.176 536 1HB HIS 129 1HB HIS 129 -21.866 5.196 2.444 537 2HB HIS 129 2HB HIS 129 -23.033 4.939 1.152 538 HD1 HIS 129 HD1 HIS 129 -21.991 7.376 0.427 539 HD2 HIS 129 HD2 HIS 129 -24.546 7.285 3.704 540 HE1 HIS 129 HE1 HIS 129 -22.802 9.733 0.730 541 HE2 HIS 129 HE2 HIS 129 -24.281 9.672 2.757 542 H VAL 130 H VAL 130 -22.848 2.380 3.884 543 HA VAL 130 HA VAL 130 -23.353 0.790 1.630 544 HB VAL 130 HB VAL 130 -22.209 0.379 4.236 545 H SER 131 H SER 131 -25.031 0.835 4.706 546 HA SER 131 HA SER 131 -27.345 1.094 5.051 547 1HB SER 131 1HB SER 131 -27.864 -0.393 2.465 548 2HB SER 131 2HB SER 131 -29.031 0.457 3.475 549 HG SER 131 HG SER 131 -26.929 1.593 1.944 550 H ALA 132 H ALA 132 -28.889 -0.441 5.829 551 HA ALA 132 HA ALA 132 -27.781 -2.457 7.299 552 1HB ALA 132 1HB ALA 132 -30.644 -2.384 6.368 553 2HB ALA 132 2HB ALA 132 -30.015 -3.193 7.803 554 3HB ALA 132 3HB ALA 132 -29.987 -1.432 7.699 555 H LYS 133 H LYS 133 -29.532 -2.930 4.203 556 HA LYS 133 HA LYS 133 -29.466 -5.689 4.167 557 1HB LYS 133 1HB LYS 133 -29.976 -3.576 2.278 558 2HB LYS 133 2HB LYS 133 -29.166 -4.926 1.500 559 1HG LYS 133 1HG LYS 133 -31.648 -5.009 1.420 560 2HG LYS 133 2HG LYS 133 -30.892 -6.430 2.145 561 1HD LYS 133 1HD LYS 133 -31.416 -4.484 4.184 562 2HD LYS 133 2HD LYS 133 -32.881 -4.763 3.252 563 1HE LYS 133 1HE LYS 133 -33.053 -6.939 3.883 564 2HE LYS 133 2HE LYS 133 -31.316 -7.118 4.086 565 1HZ LYS 133 1HZ LYS 133 -32.582 -5.289 5.930 566 2HZ LYS 133 2HZ LYS 133 -33.037 -6.907 6.109 567 3HZ LYS 133 3HZ LYS 133 -31.404 -6.473 6.217 568 H THR 134 H THR 134 -27.174 -3.506 2.651 569 HA THR 134 HA THR 134 -25.398 -5.554 1.851 570 HB THR 134 HB THR 134 -24.830 -2.663 2.276 571 HG1 THR 134 HG1 THR 134 -25.275 -2.477 0.058 572 H ARG 135 H ARG 135 -25.426 -3.362 4.612 573 HA ARG 135 HA ARG 135 -23.062 -4.069 5.810 574 1HB ARG 135 1HB ARG 135 -24.398 -2.296 6.729 575 2HB ARG 135 2HB ARG 135 -25.737 -3.389 7.025 576 1HG ARG 135 1HG ARG 135 -23.217 -4.025 8.410 577 2HG ARG 135 2HG ARG 135 -24.074 -2.585 8.940 578 1HD ARG 135 1HD ARG 135 -26.102 -3.927 9.171 579 2HD ARG 135 2HD ARG 135 -25.179 -5.347 8.714 580 HE ARG 135 HE ARG 135 -23.796 -4.869 10.759 581 1HH1 ARG 135 1HH1 ARG 135 -27.159 -3.901 10.523 582 1HH2 ARG 135 1HH2 ARG 135 -24.129 -4.882 13.009 583 2HH1 ARG 135 2HH1 ARG 135 -27.415 -3.909 12.236 584 2HH2 ARG 135 2HH2 ARG 135 -25.684 -4.464 13.658 585 H GLU 136 H GLU 136 -26.144 -5.661 5.946 586 HA GLU 136 HA GLU 136 -25.349 -7.750 7.724 587 1HB GLU 136 1HB GLU 136 -27.669 -7.429 5.882 588 2HB GLU 136 2HB GLU 136 -27.442 -8.875 6.829 589 1HG GLU 136 1HG GLU 136 -27.570 -7.600 8.849 590 2HG GLU 136 2HG GLU 136 -27.702 -6.113 7.927 591 H LYS 137 H LYS 137 -25.494 -7.293 4.305 592 HA LYS 137 HA LYS 137 -25.000 -9.806 3.285 593 1HB LYS 137 1HB LYS 137 -25.551 -7.817 1.935 594 2HB LYS 137 2HB LYS 137 -23.994 -7.123 2.341 595 1HG LYS 137 1HG LYS 137 -23.075 -9.323 1.289 596 2HG LYS 137 2HG LYS 137 -24.633 -9.310 0.451 597 1HD LYS 137 1HD LYS 137 -22.777 -6.935 0.526 598 2HD LYS 137 2HD LYS 137 -22.718 -8.160 -0.745 599 1HE LYS 137 1HE LYS 137 -25.080 -6.430 -0.050 600 2HE LYS 137 2HE LYS 137 -24.019 -6.213 -1.434 601 1HZ LYS 137 1HZ LYS 137 -24.713 -8.472 -2.172 602 2HZ LYS 137 2HZ LYS 137 -25.874 -8.475 -0.939 603 3HZ LYS 137 3HZ LYS 137 -25.957 -7.329 -2.172 604 H VAL 138 H VAL 138 -22.712 -7.376 4.243 605 HA VAL 138 HA VAL 138 -20.462 -9.089 3.706 606 HB VAL 138 HB VAL 138 -19.101 -7.341 3.724 607 H GLU 139 H GLU 139 -22.156 -7.909 6.600 608 HA GLU 139 HA GLU 139 -20.266 -8.747 8.464 609 1HB GLU 139 1HB GLU 139 -23.236 -8.325 8.549 610 2HB GLU 139 2HB GLU 139 -22.341 -8.868 9.944 611 1HG GLU 139 1HG GLU 139 -20.939 -6.674 8.935 612 2HG GLU 139 2HG GLU 139 -22.645 -6.233 8.902 613 H ALA 140 H ALA 140 -22.928 -10.352 6.861 614 HA ALA 140 HA ALA 140 -22.805 -12.751 8.282 615 1HB ALA 140 1HB ALA 140 -23.649 -12.349 5.415 616 2HB ALA 140 2HB ALA 140 -24.691 -12.172 6.828 617 3HB ALA 140 3HB ALA 140 -24.024 -13.750 6.418 618 H ALA 141 H ALA 141 -21.145 -11.602 5.450 619 HA ALA 141 HA ALA 141 -19.746 -13.955 4.825 620 1HB ALA 141 1HB ALA 141 -19.998 -12.147 3.221 621 2HB ALA 141 2HB ALA 141 -18.288 -12.480 3.502 622 3HB ALA 141 3HB ALA 141 -19.049 -11.079 4.255 623 H MET 142 H MET 142 -18.916 -11.076 6.695 624 HA MET 142 HA MET 142 -16.338 -11.685 7.417 625 1HB MET 142 1HB MET 142 -18.527 -10.287 8.946 626 2HB MET 142 2HB MET 142 -16.875 -10.366 9.509 627 1HG MET 142 1HG MET 142 -16.121 -9.111 7.584 628 2HG MET 142 2HG MET 142 -17.767 -9.091 6.940 629 1HE MET 142 1HE MET 142 -15.861 -6.594 7.413 630 2HE MET 142 2HE MET 142 -17.488 -6.252 6.822 631 3HE MET 142 3HE MET 142 -16.852 -5.382 8.223 632 H ALA 143 H ALA 143 -19.340 -12.590 8.781 633 HA ALA 143 HA ALA 143 -18.496 -13.811 11.157 634 1HB ALA 143 1HB ALA 143 -20.731 -14.760 11.258 635 2HB ALA 143 2HB ALA 143 -20.993 -14.326 9.568 636 3HB ALA 143 3HB ALA 143 -20.775 -13.063 10.780 637 H GLU 144 H GLU 144 -19.312 -15.303 8.047 638 HA GLU 144 HA GLU 144 -19.041 -17.948 8.852 639 1HB GLU 144 1HB GLU 144 -18.548 -16.795 6.156 640 2HB GLU 144 2HB GLU 144 -18.902 -18.473 6.521 641 1HG GLU 144 1HG GLU 144 -20.939 -17.004 7.699 642 2HG GLU 144 2HG GLU 144 -20.651 -16.278 6.126 643 H LEU 145 H LEU 145 -16.793 -15.802 7.266 644 HA LEU 145 HA LEU 145 -14.666 -17.688 7.198 645 1HB LEU 145 1HB LEU 145 -14.435 -14.722 6.855 646 2HB LEU 145 2HB LEU 145 -13.507 -15.991 6.094 647 HG LEU 145 HG LEU 145 -16.419 -15.856 5.497 648 H ASN 146 H ASN 146 -15.783 -15.318 9.426 649 HA ASN 146 HA ASN 146 -15.140 -14.700 11.504 650 1HB ASN 146 1HB ASN 146 -14.456 -17.007 11.927 651 2HB ASN 146 2HB ASN 146 -12.926 -16.683 11.153 652 1HD2 ASN 146 1HD2 ASN 146 -14.918 -15.974 13.887 653 1HD2 ASN 146 1HD2 ASN 146 -13.629 -15.500 14.931 654 H TYR 147 H TYR 147 -14.870 -12.969 9.915 655 HA TYR 147 HA TYR 147 -12.302 -12.113 9.074 656 1HB TYR 147 1HB TYR 147 -14.311 -11.413 7.880 657 2HB TYR 147 2HB TYR 147 -14.915 -10.622 9.328 658 HD1 TYR 147 HD1 TYR 147 -14.806 -8.331 9.276 659 HD2 TYR 147 HD2 TYR 147 -11.684 -10.549 7.422 660 HE1 TYR 147 HE1 TYR 147 -13.667 -6.244 8.705 661 HE2 TYR 147 HE2 TYR 147 -10.543 -8.449 6.838 662 HH TYR 147 HH TYR 147 -10.644 -6.228 6.862 663 H ILE 148 H ILE 148 -10.806 -11.000 10.085 664 HA ILE 148 HA ILE 148 -11.526 -9.189 12.259 665 HB ILE 148 HB ILE 148 -9.257 -11.195 12.364 666 HA PRO 149 HA PRO 149 -8.997 -6.856 9.387 667 1HB PRO 149 1HB PRO 149 -9.443 -4.419 10.459 668 2HB PRO 149 2HB PRO 149 -10.642 -5.254 9.462 669 1HG PRO 149 1HG PRO 149 -10.522 -4.924 12.416 670 2HG PRO 149 2HG PRO 149 -11.928 -4.967 11.338 671 1HD PRO 149 1HD PRO 149 -11.036 -7.088 12.903 672 2HD PRO 149 2HD PRO 149 -12.103 -7.238 11.491 673 H ASN 150 H ASN 150 -7.140 -5.191 9.631 674 HA ASN 150 HA ASN 150 -5.623 -5.941 12.004 675 1HB ASN 150 1HB ASN 150 -4.923 -5.548 9.131 676 2HB ASN 150 2HB ASN 150 -3.742 -5.008 10.326 677 1HD2 ASN 150 1HD2 ASN 150 -5.086 -7.619 8.670 678 1HD2 ASN 150 1HD2 ASN 150 -4.166 -8.864 9.458 679 H ARG 151 H ARG 151 -5.241 -4.387 13.390 680 HA ARG 151 HA ARG 151 -6.436 -1.897 13.270 681 1HB ARG 151 1HB ARG 151 -5.475 -3.259 15.257 682 2HB ARG 151 2HB ARG 151 -4.016 -2.346 14.929 683 1HG ARG 151 1HG ARG 151 -5.205 -1.223 16.642 684 2HG ARG 151 2HG ARG 151 -5.353 -0.258 15.180 685 1HD ARG 151 1HD ARG 151 -7.529 -1.729 14.905 686 2HD ARG 151 2HD ARG 151 -7.375 -1.813 16.652 687 HE ARG 151 HE ARG 151 -7.332 0.680 16.587 688 1HH1 ARG 151 1HH1 ARG 151 -8.983 -1.174 14.108 689 1HH2 ARG 151 1HH2 ARG 151 -8.733 2.379 16.010 690 2HH1 ARG 151 2HH1 ARG 151 -10.031 0.133 13.661 691 2HH2 ARG 151 2HH2 ARG 151 -9.899 2.141 14.745 692 H CYS 152 H CYS 152 -3.284 -2.825 12.083 693 HA CYS 152 HA CYS 152 -2.310 -0.098 12.002 694 1HB CYS 152 1HB CYS 152 -0.987 -2.407 12.153 695 2HB CYS 152 2HB CYS 152 -1.040 -2.236 10.401 696 H ALA 153 H ALA 153 -3.159 -2.514 9.592 697 HA ALA 153 HA ALA 153 -2.995 -0.970 7.349 698 1HB ALA 153 1HB ALA 153 -5.177 -2.980 7.900 699 2HB ALA 153 2HB ALA 153 -4.610 -2.452 6.317 700 3HB ALA 153 3HB ALA 153 -3.545 -3.382 7.371 701 H GLN 154 H GLN 154 -5.582 -1.098 9.718 702 HA GLN 154 HA GLN 154 -7.394 0.619 8.398 703 1HB GLN 154 1HB GLN 154 -7.033 -0.095 11.308 704 2HB GLN 154 2HB GLN 154 -8.403 0.795 10.664 705 1HG GLN 154 1HG GLN 154 -8.677 -1.237 9.094 706 2HG GLN 154 2HG GLN 154 -7.676 -2.064 10.281 707 H GLN 155 H GLN 155 -4.954 1.087 10.912 708 HA GLN 155 HA GLN 155 -5.331 3.832 11.322 709 1HB GLN 155 1HB GLN 155 -3.030 1.978 11.758 710 2HB GLN 155 2HB GLN 155 -2.833 3.697 12.031 711 1HG GLN 155 1HG GLN 155 -4.188 1.671 13.621 712 2HG GLN 155 2HG GLN 155 -3.485 3.218 14.110 713 H LEU 156 H LEU 156 -3.003 2.149 9.238 714 HA LEU 156 HA LEU 156 -1.803 4.417 8.123 715 1HB LEU 156 1HB LEU 156 -1.177 1.911 8.080 716 2HB LEU 156 2HB LEU 156 -2.205 1.833 6.660 717 HG LEU 156 HG LEU 156 -0.774 3.371 5.476 718 H ALA 157 H ALA 157 -4.084 2.268 6.556 719 HA ALA 157 HA ALA 157 -4.706 3.881 4.388 720 1HB ALA 157 1HB ALA 157 -6.669 2.001 5.684 721 2HB ALA 157 2HB ALA 157 -6.639 2.525 3.999 722 3HB ALA 157 3HB ALA 157 -5.353 1.493 4.627 723 H GLY 158 H GLY 158 -6.007 4.015 7.624 724 1HA GLY 158 1HA GLY 158 -7.670 5.324 8.551 725 2HA GLY 158 2HA GLY 158 -8.159 5.798 6.930 726 H LYS 159 H LYS 159 -4.915 6.271 7.110 727 HA LYS 159 HA LYS 159 -4.850 8.767 8.503 728 1HB LYS 159 1HB LYS 159 -2.931 7.033 8.035 729 2HB LYS 159 2HB LYS 159 -2.745 7.972 6.567 730 1HG LYS 159 1HG LYS 159 -2.806 9.947 8.399 731 2HG LYS 159 2HG LYS 159 -2.062 8.650 9.337 732 1HD LYS 159 1HD LYS 159 -0.252 9.752 8.343 733 2HD LYS 159 2HD LYS 159 -0.514 8.345 7.313 734 1HE LYS 159 1HE LYS 159 -0.157 10.301 5.938 735 2HE LYS 159 2HE LYS 159 -1.823 9.747 5.770 736 1HZ LYS 159 1HZ LYS 159 -2.489 11.472 7.355 737 2HZ LYS 159 2HZ LYS 159 -0.894 12.034 7.419 738 3HZ LYS 159 3HZ LYS 159 -1.764 12.124 5.973 739 H GLN 160 H GLN 160 -5.974 7.842 5.512 740 HA GLN 160 HA GLN 160 -5.204 10.063 3.941 741 1HB GLN 160 1HB GLN 160 -7.335 8.004 3.661 742 2HB GLN 160 2HB GLN 160 -7.137 9.282 2.506 743 1HG GLN 160 1HG GLN 160 -4.918 8.540 2.019 744 2HG GLN 160 2HG GLN 160 -5.059 7.286 3.233 745 H SER 161 H SER 161 -7.029 11.401 2.900 746 HA SER 161 HA SER 161 -9.169 12.125 4.696 747 1HB SER 161 1HB SER 161 -7.132 14.189 3.941 748 2HB SER 161 2HB SER 161 -8.555 14.444 4.941 749 HG SER 161 HG SER 161 -7.197 12.445 6.005 750 H LEU 162 H LEU 162 -7.401 13.480 1.959 751 HA LEU 162 HA LEU 162 -9.714 13.186 0.246 752 1HB LEU 162 1HB LEU 162 -8.560 15.835 1.013 753 2HB LEU 162 2HB LEU 162 -9.444 15.624 -0.481 754 HG LEU 162 HG LEU 162 -10.615 15.027 2.237 No H/Q in entry = 754 Start of MODEL 3 1 H1 MET 1 H1 MET 1 -0.512 19.236 4.369 2 H2 MET 1 H2 MET 1 0.873 20.162 4.644 3 H3 MET 1 H3 MET 1 -0.194 20.589 3.407 4 HA MET 1 HA MET 1 0.316 18.587 2.208 5 1HB MET 1 1HB MET 1 2.468 19.206 1.431 6 2HB MET 1 2HB MET 1 1.719 20.700 1.977 7 1HG MET 1 1HG MET 1 2.983 20.601 4.047 8 2HG MET 1 2HG MET 1 3.701 19.070 3.551 9 1HE MET 1 1HE MET 1 6.128 19.960 3.955 10 2HE MET 1 2HE MET 1 6.768 21.456 3.275 11 3HE MET 1 3HE MET 1 5.500 21.514 4.498 12 H LYS 2 H LYS 2 1.793 16.741 1.982 13 HA LYS 2 HA LYS 2 1.822 15.169 4.317 14 1HB LYS 2 1HB LYS 2 2.994 13.501 2.977 15 2HB LYS 2 2HB LYS 2 1.663 14.197 2.067 16 1HG LYS 2 1HG LYS 2 3.067 14.632 0.419 17 2HG LYS 2 2HG LYS 2 3.920 15.758 1.476 18 1HD LYS 2 1HD LYS 2 5.279 13.873 2.321 19 2HD LYS 2 2HD LYS 2 4.472 12.809 1.168 20 1HE LYS 2 1HE LYS 2 5.286 14.272 -0.663 21 2HE LYS 2 2HE LYS 2 6.189 15.203 0.530 22 1HZ LYS 2 1HZ LYS 2 6.565 12.290 0.208 23 2HZ LYS 2 2HZ LYS 2 7.437 13.410 -0.708 24 3HZ LYS 2 3HZ LYS 2 7.590 13.399 0.975 25 HA PRO 3 HA PRO 3 5.701 16.349 6.098 26 1HB PRO 3 1HB PRO 3 6.013 13.755 7.311 27 2HB PRO 3 2HB PRO 3 5.523 15.268 8.067 28 1HG PRO 3 1HG PRO 3 3.859 13.120 7.749 29 2HG PRO 3 2HG PRO 3 3.297 14.800 7.854 30 1HD PRO 3 1HD PRO 3 3.685 13.069 5.444 31 2HD PRO 3 2HD PRO 3 2.388 14.230 5.808 32 H VAL 4 H VAL 4 7.933 15.221 6.602 33 HA VAL 4 HA VAL 4 9.097 14.538 4.112 34 HB VAL 4 HB VAL 4 10.336 13.922 6.763 35 H THR 5 H THR 5 9.931 12.532 3.450 36 HA THR 5 HA THR 5 9.140 10.204 5.029 37 HB THR 5 HB THR 5 8.104 9.175 2.906 38 HG1 THR 5 HG1 THR 5 8.325 11.882 2.198 39 H LEU 6 H LEU 6 9.659 8.179 3.541 40 HA LEU 6 HA LEU 6 12.505 8.317 3.236 41 1HB LEU 6 1HB LEU 6 11.762 5.990 1.920 42 2HB LEU 6 2HB LEU 6 12.339 6.131 3.565 43 HG LEU 6 HG LEU 6 9.772 6.557 4.038 44 H TYR 7 H TYR 7 9.804 8.729 1.128 45 HA TYR 7 HA TYR 7 11.054 8.236 -1.340 46 1HB TYR 7 1HB TYR 7 8.712 9.906 -0.456 47 2HB TYR 7 2HB TYR 7 9.257 9.928 -2.128 48 HD1 TYR 7 HD1 TYR 7 7.597 7.992 0.471 49 HD2 TYR 7 HD2 TYR 7 8.977 7.974 -3.545 50 HE1 TYR 7 HE1 TYR 7 6.207 6.012 0.011 51 HE2 TYR 7 HE2 TYR 7 7.602 5.996 -4.015 52 HH TYR 7 HH TYR 7 5.120 5.021 -2.263 53 H ASP 8 H ASP 8 10.745 11.033 0.720 54 HA ASP 8 HA ASP 8 11.856 12.953 -1.012 55 1HB ASP 8 1HB ASP 8 11.520 12.786 1.998 56 2HB ASP 8 2HB ASP 8 12.080 14.234 1.176 57 H VAL 9 H VAL 9 13.218 11.317 1.839 58 HA VAL 9 HA VAL 9 15.776 12.352 1.304 59 HB VAL 9 HB VAL 9 16.306 11.655 3.315 60 H ALA 10 H ALA 10 14.110 9.591 0.106 61 HA ALA 10 HA ALA 10 16.424 8.202 -0.843 62 1HB ALA 10 1HB ALA 10 13.655 8.020 -2.011 63 2HB ALA 10 2HB ALA 10 14.128 7.180 -0.533 64 3HB ALA 10 3HB ALA 10 14.932 6.807 -2.057 65 H GLU 11 H GLU 11 14.240 10.617 -2.017 66 HA GLU 11 HA GLU 11 15.172 10.689 -4.702 67 1HB GLU 11 1HB GLU 11 13.180 11.940 -3.071 68 2HB GLU 11 2HB GLU 11 14.040 13.189 -3.945 69 1HG GLU 11 1HG GLU 11 12.565 10.829 -5.082 70 2HG GLU 11 2HG GLU 11 12.177 12.532 -5.257 71 H TYR 12 H TYR 12 15.762 12.460 -1.785 72 HA TYR 12 HA TYR 12 17.568 14.409 -2.622 73 1HB TYR 12 1HB TYR 12 16.387 13.622 -0.319 74 2HB TYR 12 2HB TYR 12 18.015 13.079 -0.052 75 HD1 TYR 12 HD1 TYR 12 19.376 14.464 1.109 76 HD2 TYR 12 HD2 TYR 12 16.320 16.170 -1.297 77 HE1 TYR 12 HE1 TYR 12 20.012 16.681 1.898 78 HE2 TYR 12 HE2 TYR 12 16.954 18.417 -0.520 79 HH TYR 12 HH TYR 12 19.768 18.894 1.589 80 H ALA 13 H ALA 13 18.103 11.374 -1.073 81 HA ALA 13 HA ALA 13 20.883 11.244 -1.380 82 1HB ALA 13 1HB ALA 13 18.880 9.058 -0.889 83 2HB ALA 13 2HB ALA 13 19.827 9.937 0.311 84 3HB ALA 13 3HB ALA 13 20.625 8.827 -0.806 85 H GLY 14 H GLY 14 18.343 10.636 -3.603 86 1HA GLY 14 1HA GLY 14 20.297 9.644 -5.557 87 2HA GLY 14 2HA GLY 14 18.829 10.535 -5.939 88 H VAL 15 H VAL 15 19.747 7.694 -4.117 89 HA VAL 15 HA VAL 15 18.736 5.630 -5.318 90 HB VAL 15 HB VAL 15 18.666 4.510 -3.203 91 H SER 16 H SER 16 17.043 4.213 -3.844 92 HA SER 16 HA SER 16 14.425 5.403 -4.463 93 1HB SER 16 1HB SER 16 13.592 3.182 -4.892 94 2HB SER 16 2HB SER 16 15.088 3.386 -5.802 95 HG SER 16 HG SER 16 16.031 1.923 -4.598 96 H VAL 17 H VAL 17 12.711 3.898 -3.149 97 HA VAL 17 HA VAL 17 13.148 4.685 -0.426 98 HB VAL 17 HB VAL 17 10.879 3.835 -0.069 99 H ALA 18 H ALA 18 13.686 1.970 -2.345 100 HA ALA 18 HA ALA 18 13.434 -0.051 -0.365 101 1HB ALA 18 1HB ALA 18 14.993 -0.006 -2.949 102 2HB ALA 18 2HB ALA 18 14.676 -1.440 -1.971 103 3HB ALA 18 3HB ALA 18 13.339 -0.580 -2.738 104 H THR 19 H THR 19 15.969 2.139 -1.493 105 HA THR 19 HA THR 19 18.052 0.901 -0.047 106 HB THR 19 HB THR 19 18.334 3.746 -0.628 107 HG1 THR 19 HG1 THR 19 18.103 2.061 -2.883 108 H VAL 20 H VAL 20 16.094 3.769 0.436 109 HA VAL 20 HA VAL 20 17.175 4.567 2.884 110 HB VAL 20 HB VAL 20 14.470 5.113 1.688 111 H SER 21 H SER 21 14.348 2.463 2.273 112 HA SER 21 HA SER 21 13.584 2.239 4.946 113 1HB SER 21 1HB SER 21 13.141 0.575 2.504 114 2HB SER 21 2HB SER 21 12.720 -0.089 4.083 115 HG SER 21 HG SER 21 11.499 1.892 4.405 116 H ARG 22 H ARG 22 16.164 0.736 3.100 117 HA ARG 22 HA ARG 22 16.725 -1.311 4.956 118 1HB ARG 22 1HB ARG 22 18.398 0.136 2.943 119 2HB ARG 22 2HB ARG 22 19.058 -1.109 3.973 120 1HG ARG 22 1HG ARG 22 16.696 -1.582 2.201 121 2HG ARG 22 2HG ARG 22 18.362 -1.812 1.680 122 1HD ARG 22 1HD ARG 22 17.857 -3.934 2.384 123 2HD ARG 22 2HD ARG 22 18.521 -3.252 3.866 124 HE ARG 22 HE ARG 22 15.632 -3.499 3.320 125 1HH1 ARG 22 1HH1 ARG 22 18.331 -3.566 5.556 126 1HH2 ARG 22 1HH2 ARG 22 14.360 -4.128 5.114 127 2HH1 ARG 22 2HH1 ARG 22 17.359 -4.047 6.906 128 2HH2 ARG 22 2HH2 ARG 22 15.110 -4.371 6.657 129 H VAL 23 H VAL 23 18.080 1.906 4.464 130 HA VAL 23 HA VAL 23 19.850 1.858 6.664 131 HB VAL 23 HB VAL 23 18.556 4.296 5.453 132 H VAL 24 H VAL 24 16.565 3.001 6.258 133 HA VAL 24 HA VAL 24 16.069 3.957 8.823 134 HB VAL 24 HB VAL 24 14.438 2.859 6.574 135 H ASN 25 H ASN 25 16.177 0.797 7.454 136 HA ASN 25 HA ASN 25 15.317 -0.488 9.957 137 1HB ASN 25 1HB ASN 25 15.600 -1.367 7.121 138 2HB ASN 25 2HB ASN 25 15.805 -2.579 8.374 139 1HD2 ASN 25 1HD2 ASN 25 13.637 -0.703 6.570 140 1HD2 ASN 25 1HD2 ASN 25 12.170 -1.266 7.315 141 H GLN 26 H GLN 26 17.932 0.904 9.546 142 HA GLN 26 HA GLN 26 20.038 0.670 10.334 143 1HB GLN 26 1HB GLN 26 19.858 -2.139 11.173 144 2HB GLN 26 2HB GLN 26 20.541 -0.763 12.009 145 1HG GLN 26 1HG GLN 26 17.670 -1.579 11.852 146 2HG GLN 26 2HG GLN 26 18.695 -1.547 13.281 147 H ALA 27 H ALA 27 19.791 0.538 7.851 148 HA ALA 27 HA ALA 27 20.224 -0.368 5.809 149 1HB ALA 27 1HB ALA 27 22.811 -0.376 7.309 150 2HB ALA 27 2HB ALA 27 22.673 -0.467 5.552 151 3HB ALA 27 3HB ALA 27 22.072 0.951 6.414 152 H SER 28 H SER 28 22.716 -2.313 7.221 153 HA SER 28 HA SER 28 23.132 -4.537 7.308 154 1HB SER 28 1HB SER 28 20.191 -4.797 6.864 155 2HB SER 28 2HB SER 28 21.250 -6.143 7.264 156 HG SER 28 HG SER 28 21.013 -3.808 8.873 157 H HIS 29 H HIS 29 21.133 -3.454 4.658 158 HA HIS 29 HA HIS 29 22.799 -5.028 2.823 159 1HB HIS 29 1HB HIS 29 19.822 -4.957 2.936 160 2HB HIS 29 2HB HIS 29 20.573 -4.968 1.350 161 HD1 HIS 29 HD1 HIS 29 19.823 -7.358 0.759 162 HD2 HIS 29 HD2 HIS 29 22.055 -7.124 4.258 163 HE1 HIS 29 HE1 HIS 29 20.459 -9.721 1.322 164 HE2 HIS 29 HE2 HIS 29 21.984 -9.522 3.305 165 H VAL 30 H VAL 30 23.041 -2.367 3.726 166 HA VAL 30 HA VAL 30 22.849 -0.931 1.201 167 HB VAL 30 HB VAL 30 21.727 -0.146 3.795 168 H SER 31 H SER 31 24.778 0.011 0.594 169 HA SER 31 HA SER 31 27.139 -0.643 1.927 170 1HB SER 31 1HB SER 31 27.679 1.603 0.331 171 2HB SER 31 2HB SER 31 27.816 -0.093 -0.148 172 HG SER 31 HG SER 31 26.312 0.443 -1.540 173 H ALA 32 H ALA 32 28.581 0.622 3.166 174 HA ALA 32 HA ALA 32 27.547 2.191 5.170 175 1HB ALA 32 1HB ALA 32 30.348 2.363 4.075 176 2HB ALA 32 2HB ALA 32 29.771 1.153 5.223 177 3HB ALA 32 3HB ALA 32 29.815 2.854 5.682 178 H LYS 33 H LYS 33 29.049 3.302 2.143 179 HA LYS 33 HA LYS 33 28.839 6.032 2.629 180 1HB LYS 33 1HB LYS 33 30.084 4.836 0.755 181 2HB LYS 33 2HB LYS 33 28.544 4.816 -0.081 182 1HG LYS 33 1HG LYS 33 29.930 6.678 -0.809 183 2HG LYS 33 2HG LYS 33 28.446 7.235 -0.036 184 1HD LYS 33 1HD LYS 33 30.577 6.910 1.890 185 2HD LYS 33 2HD LYS 33 31.052 7.997 0.588 186 1HE LYS 33 1HE LYS 33 29.201 9.430 0.994 187 2HE LYS 33 2HE LYS 33 28.457 8.264 2.087 188 1HZ LYS 33 1HZ LYS 33 31.108 9.437 2.662 189 2HZ LYS 33 2HZ LYS 33 29.682 10.223 3.114 190 3HZ LYS 33 3HZ LYS 33 30.029 8.686 3.732 191 H THR 34 H THR 34 26.553 3.818 1.158 192 HA THR 34 HA THR 34 24.613 5.724 0.463 193 HB THR 34 HB THR 34 24.144 2.867 1.132 194 HG1 THR 34 HG1 THR 34 25.114 2.401 -0.697 195 H ARG 35 H ARG 35 25.011 3.697 3.300 196 HA ARG 35 HA ARG 35 22.758 4.371 4.710 197 1HB ARG 35 1HB ARG 35 24.218 2.706 5.606 198 2HB ARG 35 2HB ARG 35 25.570 3.826 5.675 199 1HG ARG 35 1HG ARG 35 23.163 4.447 7.294 200 2HG ARG 35 2HG ARG 35 24.208 3.144 7.828 201 1HD ARG 35 1HD ARG 35 26.079 4.613 7.884 202 2HD ARG 35 2HD ARG 35 25.135 5.911 7.184 203 HE ARG 35 HE ARG 35 23.750 5.728 9.295 204 1HH1 ARG 35 1HH1 ARG 35 27.175 4.984 9.204 205 1HH2 ARG 35 1HH2 ARG 35 24.077 6.232 11.478 206 2HH1 ARG 35 2HH1 ARG 35 27.424 5.373 10.875 207 2HH2 ARG 35 2HH2 ARG 35 25.662 6.078 12.173 208 H GLU 36 H GLU 36 25.782 6.095 4.504 209 HA GLU 36 HA GLU 36 25.010 8.236 6.224 210 1HB GLU 36 1HB GLU 36 27.236 7.976 4.251 211 2HB GLU 36 2HB GLU 36 27.056 9.342 5.319 212 1HG GLU 36 1HG GLU 36 27.402 7.981 7.212 213 2HG GLU 36 2HG GLU 36 27.335 6.522 6.241 214 H LYS 37 H LYS 37 25.032 7.627 2.820 215 HA LYS 37 HA LYS 37 24.449 10.060 1.687 216 1HB LYS 37 1HB LYS 37 24.946 7.965 0.461 217 2HB LYS 37 2HB LYS 37 23.384 7.334 0.947 218 1HG LYS 37 1HG LYS 37 22.457 9.439 -0.208 219 2HG LYS 37 2HG LYS 37 24.013 9.441 -1.049 220 1HD LYS 37 1HD LYS 37 22.192 7.042 -0.893 221 2HD LYS 37 2HD LYS 37 22.155 8.205 -2.222 222 1HE LYS 37 1HE LYS 37 24.430 6.411 -1.410 223 2HE LYS 37 2HE LYS 37 23.483 6.331 -2.891 224 1HZ LYS 37 1HZ LYS 37 24.388 8.477 -3.543 225 2HZ LYS 37 2HZ LYS 37 25.311 8.544 -2.127 226 3HZ LYS 37 3HZ LYS 37 25.624 7.353 -3.282 227 H VAL 38 H VAL 38 22.239 7.689 2.902 228 HA VAL 38 HA VAL 38 19.948 9.344 2.329 229 HB VAL 38 HB VAL 38 18.605 7.599 2.524 230 H GLU 39 H GLU 39 21.813 8.427 5.195 231 HA GLU 39 HA GLU 39 19.978 9.361 7.078 232 1HB GLU 39 1HB GLU 39 22.947 8.942 7.059 233 2HB GLU 39 2HB GLU 39 22.117 9.577 8.461 234 1HG GLU 39 1HG GLU 39 20.684 7.321 7.596 235 2HG GLU 39 2HG GLU 39 22.391 6.888 7.607 236 H ALA 40 H ALA 40 22.592 10.850 5.284 237 HA ALA 40 HA ALA 40 22.481 13.369 6.456 238 1HB ALA 40 1HB ALA 40 24.325 12.752 5.033 239 2HB ALA 40 2HB ALA 40 23.246 12.594 3.650 240 3HB ALA 40 3HB ALA 40 23.539 14.180 4.360 241 H ALA 41 H ALA 41 20.754 11.982 3.761 242 HA ALA 41 HA ALA 41 19.296 14.234 2.966 243 1HB ALA 41 1HB ALA 41 18.621 11.300 2.745 244 2HB ALA 41 2HB ALA 41 17.780 12.598 1.899 245 3HB ALA 41 3HB ALA 41 19.477 12.274 1.552 246 H MET 42 H MET 42 18.598 11.598 5.191 247 HA MET 42 HA MET 42 16.041 12.241 5.968 248 1HB MET 42 1HB MET 42 18.320 11.035 7.520 249 2HB MET 42 2HB MET 42 16.696 11.154 8.156 250 1HG MET 42 1HG MET 42 15.874 9.703 6.406 251 2HG MET 42 2HG MET 42 17.492 9.630 5.694 252 1HE MET 42 1HE MET 42 15.671 7.125 6.523 253 2HE MET 42 2HE MET 42 17.266 6.885 5.812 254 3HE MET 42 3HE MET 42 16.831 6.054 7.306 255 H ALA 43 H ALA 43 19.099 13.345 7.104 256 HA ALA 43 HA ALA 43 18.310 14.766 9.379 257 1HB ALA 43 1HB ALA 43 20.522 15.805 9.256 258 2HB ALA 43 2HB ALA 43 20.587 14.056 9.017 259 3HB ALA 43 3HB ALA 43 20.721 15.141 7.632 260 H GLU 44 H GLU 44 18.981 15.990 6.116 261 HA GLU 44 HA GLU 44 18.663 18.679 6.684 262 1HB GLU 44 1HB GLU 44 18.047 17.309 4.120 263 2HB GLU 44 2HB GLU 44 18.449 19.002 4.334 264 1HG GLU 44 1HG GLU 44 20.511 17.576 5.534 265 2HG GLU 44 2HG GLU 44 20.144 16.751 4.031 266 H LEU 45 H LEU 45 16.402 16.397 5.344 267 HA LEU 45 HA LEU 45 14.229 18.215 5.264 268 1HB LEU 45 1HB LEU 45 13.996 15.236 5.201 269 2HB LEU 45 2HB LEU 45 13.042 16.432 4.365 270 HG LEU 45 HG LEU 45 15.915 16.248 3.650 271 H ASN 46 H ASN 46 15.510 16.054 7.622 272 HA ASN 46 HA ASN 46 14.994 15.610 9.770 273 1HB ASN 46 1HB ASN 46 14.299 17.930 10.052 274 2HB ASN 46 2HB ASN 46 12.737 17.536 9.383 275 1HD2 ASN 46 1HD2 ASN 46 14.848 17.147 12.080 276 1HD2 ASN 46 1HD2 ASN 46 13.620 16.703 13.209 277 H TYR 47 H TYR 47 14.652 13.714 8.391 278 HA TYR 47 HA TYR 47 12.022 12.793 7.814 279 1HB TYR 47 1HB TYR 47 13.871 11.994 6.487 280 2HB TYR 47 2HB TYR 47 14.676 11.370 7.920 281 HD1 TYR 47 HD1 TYR 47 14.541 9.099 8.302 282 HD2 TYR 47 HD2 TYR 47 11.356 11.016 6.233 283 HE1 TYR 47 HE1 TYR 47 13.405 6.944 8.061 284 HE2 TYR 47 HE2 TYR 47 10.220 8.852 5.979 285 HH TYR 47 HH TYR 47 10.594 6.554 6.062 286 H ILE 48 H ILE 48 10.661 11.648 8.933 287 HA ILE 48 HA ILE 48 11.514 10.060 11.220 288 HB ILE 48 HB ILE 48 9.304 12.128 11.351 289 HA PRO 49 HA PRO 49 8.790 7.513 8.783 290 1HB PRO 49 1HB PRO 49 9.280 5.185 10.042 291 2HB PRO 49 2HB PRO 49 10.435 5.928 8.930 292 1HG PRO 49 1HG PRO 49 10.449 5.842 11.900 293 2HG PRO 49 2HG PRO 49 11.808 5.817 10.762 294 1HD PRO 49 1HD PRO 49 10.908 8.032 12.200 295 2HD PRO 49 2HD PRO 49 11.977 8.087 10.786 296 H ASN 50 H ASN 50 6.994 5.846 9.265 297 HA ASN 50 HA ASN 50 5.501 6.766 11.594 298 1HB ASN 50 1HB ASN 50 4.790 6.170 8.763 299 2HB ASN 50 2HB ASN 50 3.628 5.661 9.993 300 1HD2 ASN 50 1HD2 ASN 50 3.831 7.824 7.867 301 1HD2 ASN 50 1HD2 ASN 50 3.300 9.244 8.707 302 H ARG 51 H ARG 51 5.157 5.277 13.094 303 HA ARG 51 HA ARG 51 6.382 2.785 13.016 304 1HB ARG 51 1HB ARG 51 5.515 4.243 15.000 305 2HB ARG 51 2HB ARG 51 4.093 3.233 14.834 306 1HG ARG 51 1HG ARG 51 5.492 2.268 16.497 307 2HG ARG 51 2HG ARG 51 5.556 1.232 15.082 308 1HD ARG 51 1HD ARG 51 7.633 2.647 14.482 309 2HD ARG 51 2HD ARG 51 7.613 3.060 16.185 310 HE ARG 51 HE ARG 51 7.572 0.480 16.449 311 1HH1 ARG 51 1HH1 ARG 51 9.348 2.286 14.021 312 1HH2 ARG 51 1HH2 ARG 51 9.242 -1.075 16.269 313 2HH1 ARG 51 2HH1 ARG 51 10.607 1.098 13.886 314 2HH2 ARG 51 2HH2 ARG 51 10.552 -0.801 15.163 315 H CYS 52 H CYS 52 3.165 3.617 11.913 316 HA CYS 52 HA CYS 52 2.205 0.889 12.077 317 1HB CYS 52 1HB CYS 52 0.874 3.204 12.071 318 2HB CYS 52 2HB CYS 52 0.890 2.904 10.338 319 H ALA 53 H ALA 53 3.029 3.121 9.490 320 HA ALA 53 HA ALA 53 2.896 1.416 7.363 321 1HB ALA 53 1HB ALA 53 3.429 3.836 7.242 322 2HB ALA 53 2HB ALA 53 5.070 3.470 7.773 323 3HB ALA 53 3HB ALA 53 4.481 2.843 6.234 324 H GLN 54 H GLN 54 5.478 1.742 9.727 325 HA GLN 54 HA GLN 54 7.305 -0.072 8.547 326 1HB GLN 54 1HB GLN 54 6.974 0.820 11.415 327 2HB GLN 54 2HB GLN 54 8.374 -0.002 10.752 328 1HG GLN 54 1HG GLN 54 8.512 1.944 9.109 329 2HG GLN 54 2HG GLN 54 7.414 2.762 10.211 330 H GLN 55 H GLN 55 4.834 -0.304 11.046 331 HA GLN 55 HA GLN 55 5.260 -2.977 11.793 332 1HB GLN 55 1HB GLN 55 2.936 -1.115 12.015 333 2HB GLN 55 2HB GLN 55 2.751 -2.794 12.476 334 1HG GLN 55 1HG GLN 55 4.092 -0.595 13.829 335 2HG GLN 55 2HG GLN 55 3.396 -2.075 14.491 336 H LEU 56 H LEU 56 2.926 -1.577 9.534 337 HA LEU 56 HA LEU 56 1.754 -3.951 8.655 338 1HB LEU 56 1HB LEU 56 1.157 -1.454 8.286 339 2HB LEU 56 2HB LEU 56 2.215 -1.569 6.888 340 HG LEU 56 HG LEU 56 0.784 -3.303 5.927 341 H ALA 57 H ALA 57 4.069 -2.009 6.923 342 HA ALA 57 HA ALA 57 4.734 -3.828 4.940 343 1HB ALA 57 1HB ALA 57 5.339 -1.364 5.085 344 2HB ALA 57 2HB ALA 57 6.757 -1.878 5.997 345 3HB ALA 57 3HB ALA 57 6.521 -2.437 4.341 346 H GLY 58 H GLY 58 5.983 -3.684 8.194 347 1HA GLY 58 1HA GLY 58 7.670 -4.904 9.221 348 2HA GLY 58 2HA GLY 58 8.126 -5.536 7.643 349 H LYS 59 H LYS 59 4.876 -5.854 7.944 350 HA LYS 59 HA LYS 59 5.017 -8.499 9.177 351 1HB LYS 59 1HB LYS 59 3.519 -6.730 10.179 352 2HB LYS 59 2HB LYS 59 2.572 -6.834 8.710 353 1HG LYS 59 1HG LYS 59 2.450 -9.355 9.269 354 2HG LYS 59 2HG LYS 59 2.866 -8.826 10.901 355 1HD LYS 59 1HD LYS 59 0.531 -8.850 10.882 356 2HD LYS 59 2HD LYS 59 0.936 -7.152 10.607 357 1HE LYS 59 1HE LYS 59 -0.841 -7.978 9.099 358 2HE LYS 59 2HE LYS 59 0.589 -7.402 8.246 359 1HZ LYS 59 1HZ LYS 59 0.560 -10.234 8.888 360 2HZ LYS 59 2HZ LYS 59 -0.582 -9.729 7.742 361 3HZ LYS 59 3HZ LYS 59 1.065 -9.438 7.476 362 H GLN 60 H GLN 60 5.955 -8.497 6.668 363 HA GLN 60 HA GLN 60 4.116 -8.735 4.589 364 1HB GLN 60 1HB GLN 60 6.671 -10.260 4.678 365 2HB GLN 60 2HB GLN 60 5.861 -9.584 3.290 366 1HG GLN 60 1HG GLN 60 7.292 -7.902 3.432 367 2HG GLN 60 2HG GLN 60 6.376 -7.382 4.846 368 H SER 61 H SER 61 5.975 -11.490 5.755 369 HA SER 61 HA SER 61 3.755 -13.241 5.067 370 1HB SER 61 1HB SER 61 6.037 -14.662 6.028 371 2HB SER 61 2HB SER 61 5.378 -14.611 4.394 372 HG SER 61 HG SER 61 6.751 -13.032 3.860 373 H LEU 62 H LEU 62 3.634 -11.577 7.483 374 HA LEU 62 HA LEU 62 3.622 -13.679 9.531 375 1HB LEU 62 1HB LEU 62 3.674 -10.709 9.908 376 2HB LEU 62 2HB LEU 62 3.645 -11.884 11.197 377 HG LEU 62 HG LEU 62 5.889 -11.387 9.243 378 H1 MET 101 H1 MET 101 -1.688 -20.027 6.641 379 H2 MET 101 H2 MET 101 -0.595 -20.750 5.568 380 H3 MET 101 H3 MET 101 -0.127 -19.403 6.475 381 HA MET 101 HA MET 101 -0.543 -18.696 4.261 382 1HB MET 101 1HB MET 101 -2.681 -19.017 3.185 383 2HB MET 101 2HB MET 101 -2.064 -20.584 3.692 384 1HG MET 101 1HG MET 101 -3.523 -20.443 5.698 385 2HG MET 101 2HG MET 101 -4.213 -18.964 5.035 386 1HE MET 101 1HE MET 101 -6.621 -19.941 5.203 387 2HE MET 101 2HE MET 101 -7.122 -21.486 4.513 388 3HE MET 101 3HE MET 101 -6.002 -21.451 5.876 389 H LYS 102 H LYS 102 -1.979 -16.804 3.673 390 HA LYS 102 HA LYS 102 -2.074 -15.001 5.817 391 1HB LYS 102 1HB LYS 102 -3.143 -13.447 4.285 392 2HB LYS 102 2HB LYS 102 -1.843 -14.294 3.464 393 1HG LYS 102 1HG LYS 102 -3.257 -14.842 1.858 394 2HG LYS 102 2HG LYS 102 -4.177 -15.800 3.022 395 1HD LYS 102 1HD LYS 102 -5.416 -13.729 3.652 396 2HD LYS 102 2HD LYS 102 -4.573 -12.881 2.352 397 1HE LYS 102 1HE LYS 102 -5.520 -14.443 0.728 398 2HE LYS 102 2HE LYS 102 -6.361 -15.286 2.025 399 1HZ LYS 102 1HZ LYS 102 -6.781 -12.421 1.387 400 2HZ LYS 102 2HZ LYS 102 -7.744 -13.671 0.780 401 3HZ LYS 102 3HZ LYS 102 -7.694 -13.381 2.443 402 HA PRO 103 HA PRO 103 -5.954 -16.001 7.686 403 1HB PRO 103 1HB PRO 103 -6.157 -13.288 8.682 404 2HB PRO 103 2HB PRO 103 -5.835 -14.771 9.576 405 1HG PRO 103 1HG PRO 103 -3.966 -12.837 9.217 406 2HG PRO 103 2HG PRO 103 -3.556 -14.556 9.371 407 1HD PRO 103 1HD PRO 103 -3.754 -12.862 6.909 408 2HD PRO 103 2HD PRO 103 -2.557 -14.105 7.339 409 H VAL 104 H VAL 104 -8.173 -14.889 8.059 410 HA VAL 104 HA VAL 104 -9.330 -14.347 5.545 411 HB VAL 104 HB VAL 104 -10.557 -13.504 8.139 412 H THR 105 H THR 105 -10.129 -12.418 4.719 413 HA THR 105 HA THR 105 -9.352 -9.952 6.094 414 HB THR 105 HB THR 105 -8.326 -9.100 3.899 415 HG1 THR 105 HG1 THR 105 -8.604 -11.839 3.390 416 H LEU 106 H LEU 106 -9.887 -8.057 4.437 417 HA LEU 106 HA LEU 106 -12.733 -8.242 4.149 418 1HB LEU 106 1HB LEU 106 -12.014 -6.037 2.641 419 2HB LEU 106 2HB LEU 106 -12.579 -6.041 4.297 420 HG LEU 106 HG LEU 106 -10.017 -6.394 4.814 421 H TYR 107 H TYR 107 -10.028 -8.810 2.072 422 HA TYR 107 HA TYR 107 -11.287 -8.544 -0.428 423 1HB TYR 107 1HB TYR 107 -8.945 -10.151 0.572 424 2HB TYR 107 2HB TYR 107 -9.494 -10.274 -1.091 425 HD1 TYR 107 HD1 TYR 107 -7.836 -8.173 1.380 426 HD2 TYR 107 HD2 TYR 107 -9.176 -8.430 -2.644 427 HE1 TYR 107 HE1 TYR 107 -6.426 -6.244 0.795 428 HE2 TYR 107 HE2 TYR 107 -7.778 -6.500 -3.242 429 HH TYR 107 HH TYR 107 -5.313 -5.378 -1.386 430 H ASP 108 H ASP 108 -10.982 -11.138 1.886 431 HA ASP 108 HA ASP 108 -12.065 -13.221 0.337 432 1HB ASP 108 1HB ASP 108 -11.765 -12.768 3.321 433 2HB ASP 108 2HB ASP 108 -12.308 -14.289 2.633 434 H VAL 109 H VAL 109 -13.448 -11.322 3.013 435 HA VAL 109 HA VAL 109 -15.998 -12.421 2.573 436 HB VAL 109 HB VAL 109 -16.537 -11.545 4.511 437 H ALA 110 H ALA 110 -14.347 -9.761 1.127 438 HA ALA 110 HA ALA 110 -16.677 -8.505 0.034 439 1HB ALA 110 1HB ALA 110 -13.763 -8.343 -0.669 440 2HB ALA 110 2HB ALA 110 -15.006 -7.460 -1.554 441 3HB ALA 110 3HB ALA 110 -14.749 -7.144 0.165 442 H GLU 111 H GLU 111 -14.474 -11.015 -0.861 443 HA GLU 111 HA GLU 111 -15.318 -11.358 -3.559 444 1HB GLU 111 1HB GLU 111 -13.381 -12.411 -1.772 445 2HB GLU 111 2HB GLU 111 -14.267 -13.765 -2.438 446 1HG GLU 111 1HG GLU 111 -12.836 -11.620 -3.978 447 2HG GLU 111 2HG GLU 111 -12.348 -13.298 -3.792 448 H TYR 112 H TYR 112 -15.990 -12.796 -0.490 449 HA TYR 112 HA TYR 112 -17.801 -14.814 -1.153 450 1HB TYR 112 1HB TYR 112 -16.583 -13.836 1.063 451 2HB TYR 112 2HB TYR 112 -18.218 -13.300 1.316 452 HD1 TYR 112 HD1 TYR 112 -19.457 -14.606 2.682 453 HD2 TYR 112 HD2 TYR 112 -16.555 -16.454 0.196 454 HE1 TYR 112 HE1 TYR 112 -20.037 -16.768 3.645 455 HE2 TYR 112 HE2 TYR 112 -17.133 -18.646 1.146 456 HH TYR 112 HH TYR 112 -19.881 -19.060 3.256 457 H ALA 113 H ALA 113 -18.379 -11.699 0.243 458 HA ALA 113 HA ALA 113 -21.140 -11.617 0.012 459 1HB ALA 113 1HB ALA 113 -20.125 -10.139 1.527 460 2HB ALA 113 2HB ALA 113 -20.863 -9.121 0.290 461 3HB ALA 113 3HB ALA 113 -19.126 -9.415 0.268 462 H GLY 114 H GLY 114 -18.749 -11.042 -2.399 463 1HA GLY 114 1HA GLY 114 -20.821 -10.724 -4.384 464 2HA GLY 114 2HA GLY 114 -19.090 -10.826 -4.687 465 H VAL 115 H VAL 115 -18.209 -8.788 -3.044 466 HA VAL 115 HA VAL 115 -19.160 -6.423 -4.469 467 HB VAL 115 HB VAL 115 -18.996 -5.073 -2.390 468 H SER 116 H SER 116 -17.438 -4.651 -3.142 469 HA SER 116 HA SER 116 -14.826 -5.780 -3.867 470 1HB SER 116 1HB SER 116 -14.085 -3.571 -4.436 471 2HB SER 116 2HB SER 116 -15.637 -3.817 -5.231 472 HG SER 116 HG SER 116 -16.563 -2.417 -3.905 473 H VAL 117 H VAL 117 -13.037 -4.344 -2.665 474 HA VAL 117 HA VAL 117 -13.410 -4.945 0.104 475 HB VAL 117 HB VAL 117 -11.130 -4.071 0.361 476 H ALA 118 H ALA 118 -14.012 -2.357 -1.946 477 HA ALA 118 HA ALA 118 -13.721 -0.217 -0.098 478 1HB ALA 118 1HB ALA 118 -15.356 -0.371 -2.634 479 2HB ALA 118 2HB ALA 118 -14.940 1.101 -1.755 480 3HB ALA 118 3HB ALA 118 -13.674 0.146 -2.525 481 H THR 119 H THR 119 -16.291 -2.447 -1.077 482 HA THR 119 HA THR 119 -18.367 -1.140 0.324 483 HB THR 119 HB THR 119 -18.548 -4.051 -0.076 484 HG1 THR 119 HG1 THR 119 -18.551 -2.450 -2.401 485 H VAL 120 H VAL 120 -16.353 -3.931 0.998 486 HA VAL 120 HA VAL 120 -17.411 -4.521 3.521 487 HB VAL 120 HB VAL 120 -14.728 -5.194 2.335 488 H SER 121 H SER 121 -14.570 -2.514 2.688 489 HA SER 121 HA SER 121 -13.763 -2.042 5.307 490 1HB SER 121 1HB SER 121 -13.393 -0.602 2.713 491 2HB SER 121 2HB SER 121 -12.932 0.208 4.213 492 HG SER 121 HG SER 121 -11.700 -1.759 4.669 493 H ARG 122 H ARG 122 -16.374 -0.693 3.381 494 HA ARG 122 HA ARG 122 -16.905 1.509 5.063 495 1HB ARG 122 1HB ARG 122 -18.620 -0.097 3.216 496 2HB ARG 122 2HB ARG 122 -19.247 1.244 4.138 497 1HG ARG 122 1HG ARG 122 -16.909 1.535 2.294 498 2HG ARG 122 2HG ARG 122 -18.581 1.722 1.774 499 1HD ARG 122 1HD ARG 122 -18.060 3.903 2.278 500 2HD ARG 122 2HD ARG 122 -18.712 3.359 3.821 501 HE ARG 122 HE ARG 122 -15.832 3.569 3.220 502 1HH1 ARG 122 1HH1 ARG 122 -18.504 3.726 5.492 503 1HH2 ARG 122 1HH2 ARG 122 -14.543 4.340 4.956 504 2HH1 ARG 122 2HH1 ARG 122 -17.520 4.314 6.792 505 2HH2 ARG 122 2HH2 ARG 122 -15.282 4.658 6.491 506 H VAL 123 H VAL 123 -18.254 -1.740 4.871 507 HA VAL 123 HA VAL 123 -20.011 -1.499 7.071 508 HB VAL 123 HB VAL 123 -18.711 -4.029 6.074 509 H VAL 124 H VAL 124 -16.727 -2.677 6.745 510 HA VAL 124 HA VAL 124 -16.213 -3.404 9.384 511 HB VAL 124 HB VAL 124 -14.603 -2.519 7.027 512 H ASN 125 H ASN 125 -16.319 -0.383 7.739 513 HA ASN 125 HA ASN 125 -15.389 1.120 10.094 514 1HB ASN 125 1HB ASN 125 -15.766 1.729 7.198 515 2HB ASN 125 2HB ASN 125 -15.941 3.055 8.332 516 1HD2 ASN 125 1HD2 ASN 125 -13.812 0.997 6.669 517 1HD2 ASN 125 1HD2 ASN 125 -12.327 1.651 7.301 518 H GLN 126 H GLN 126 -18.045 -0.287 9.816 519 HA GLN 126 HA GLN 126 -20.126 0.013 10.632 520 1HB GLN 126 1HB GLN 126 -19.870 2.886 11.237 521 2HB GLN 126 2HB GLN 126 -20.632 1.613 12.168 522 1HG GLN 126 1HG GLN 126 -17.733 2.306 11.999 523 2HG GLN 126 2HG GLN 126 -18.772 2.350 13.421 524 H ALA 127 H ALA 127 -19.938 -0.088 8.171 525 HA ALA 127 HA ALA 127 -20.412 0.632 6.064 526 1HB ALA 127 1HB ALA 127 -22.240 -0.644 6.855 527 2HB ALA 127 2HB ALA 127 -22.991 0.776 7.583 528 3HB ALA 127 3HB ALA 127 -22.851 0.653 5.829 529 H SER 128 H SER 128 -22.898 2.687 7.362 530 HA SER 128 HA SER 128 -23.349 4.893 7.200 531 1HB SER 128 1HB SER 128 -20.402 5.080 6.773 532 2HB SER 128 2HB SER 128 -21.442 6.491 6.912 533 HG SER 128 HG SER 128 -21.224 4.431 8.865 534 H HIS 129 H HIS 129 -21.343 3.594 4.652 535 HA HIS 129 HA HIS 129 -23.012 5.002 2.695 536 1HB HIS 129 1HB HIS 129 -20.022 4.891 2.764 537 2HB HIS 129 2HB HIS 129 -20.833 4.880 1.207 538 HD1 HIS 129 HD1 HIS 129 -20.036 7.213 0.525 539 HD2 HIS 129 HD2 HIS 129 -22.160 7.155 4.097 540 HE1 HIS 129 HE1 HIS 129 -20.565 9.614 1.037 541 HE2 HIS 129 HE2 HIS 129 -21.805 9.563 3.228 542 H VAL 130 H VAL 130 -23.238 2.426 3.826 543 HA VAL 130 HA VAL 130 -23.041 0.781 1.438 544 HB VAL 130 HB VAL 130 -21.907 0.213 4.082 545 H SER 131 H SER 131 -24.951 -0.164 0.889 546 HA SER 131 HA SER 131 -27.336 0.549 2.129 547 1HB SER 131 1HB SER 131 -27.704 -1.895 0.715 548 2HB SER 131 2HB SER 131 -28.063 -0.254 0.168 549 HG SER 131 HG SER 131 -26.451 -0.447 -1.152 550 H ALA 132 H ALA 132 -28.772 -0.601 3.469 551 HA ALA 132 HA ALA 132 -27.756 -1.972 5.616 552 1HB ALA 132 1HB ALA 132 -29.993 -0.925 5.500 553 2HB ALA 132 2HB ALA 132 -30.013 -2.543 6.201 554 3HB ALA 132 3HB ALA 132 -30.549 -2.293 4.540 555 H LYS 133 H LYS 133 -29.282 -3.386 2.733 556 HA LYS 133 HA LYS 133 -29.063 -6.046 3.514 557 1HB LYS 133 1HB LYS 133 -30.360 -5.095 1.548 558 2HB LYS 133 2HB LYS 133 -28.837 -5.136 0.681 559 1HG LYS 133 1HG LYS 133 -30.188 -7.089 0.166 560 2HG LYS 133 2HG LYS 133 -28.698 -7.549 0.991 561 1HD LYS 133 1HD LYS 133 -30.857 -7.042 2.857 562 2HD LYS 133 2HD LYS 133 -31.279 -8.287 1.692 563 1HE LYS 133 1HE LYS 133 -29.481 -9.643 2.309 564 2HE LYS 133 2HE LYS 133 -28.685 -8.327 3.158 565 1HZ LYS 133 1HZ LYS 133 -31.307 -9.339 4.044 566 2HZ LYS 133 2HZ LYS 133 -29.875 -10.085 4.541 567 3HZ LYS 133 3HZ LYS 133 -30.162 -8.460 4.931 568 H THR 134 H THR 134 -26.804 -3.949 1.881 569 HA THR 134 HA THR 134 -24.851 -5.897 1.314 570 HB THR 134 HB THR 134 -24.348 -3.004 1.766 571 HG1 THR 134 HG1 THR 134 -25.069 -2.613 -0.254 572 H ARG 135 H ARG 135 -25.222 -3.610 3.954 573 HA ARG 135 HA ARG 135 -22.955 -4.152 5.398 574 1HB ARG 135 1HB ARG 135 -24.417 -2.416 6.146 575 2HB ARG 135 2HB ARG 135 -25.761 -3.532 6.336 576 1HG ARG 135 1HG ARG 135 -23.326 -3.979 7.983 577 2HG ARG 135 2HG ARG 135 -24.389 -2.648 8.403 578 1HD ARG 135 1HD ARG 135 -26.234 -4.138 8.624 579 2HD ARG 135 2HD ARG 135 -25.267 -5.477 8.041 580 HE ARG 135 HE ARG 135 -23.851 -4.977 10.129 581 1HH1 ARG 135 1HH1 ARG 135 -27.338 -4.618 9.935 582 1HH2 ARG 135 1HH2 ARG 135 -24.181 -5.421 12.337 583 2HH1 ARG 135 2HH1 ARG 135 -27.589 -4.947 11.621 584 2HH2 ARG 135 2HH2 ARG 135 -25.790 -5.392 12.992 585 H GLU 136 H GLU 136 -25.956 -5.911 5.344 586 HA GLU 136 HA GLU 136 -25.177 -7.891 7.250 587 1HB GLU 136 1HB GLU 136 -27.399 -7.792 5.263 588 2HB GLU 136 2HB GLU 136 -27.222 -9.067 6.434 589 1HG GLU 136 1HG GLU 136 -27.395 -7.368 8.196 590 2HG GLU 136 2HG GLU 136 -27.730 -6.176 6.950 591 H LYS 137 H LYS 137 -25.243 -7.569 3.807 592 HA LYS 137 HA LYS 137 -24.688 -10.086 2.866 593 1HB LYS 137 1HB LYS 137 -25.195 -8.117 1.467 594 2HB LYS 137 2HB LYS 137 -23.639 -7.429 1.894 595 1HG LYS 137 1HG LYS 137 -22.681 -9.604 0.927 596 2HG LYS 137 2HG LYS 137 -24.240 -9.725 0.108 597 1HD LYS 137 1HD LYS 137 -22.457 -7.295 -0.001 598 2HD LYS 137 2HD LYS 137 -22.447 -8.574 -1.217 599 1HE LYS 137 1HE LYS 137 -24.697 -6.710 -0.515 600 2HE LYS 137 2HE LYS 137 -23.812 -6.795 -2.030 601 1HZ LYS 137 1HZ LYS 137 -25.558 -8.954 -0.978 602 2HZ LYS 137 2HZ LYS 137 -26.011 -7.834 -2.158 603 3HZ LYS 137 3HZ LYS 137 -24.771 -8.938 -2.471 604 H VAL 138 H VAL 138 -22.465 -7.654 3.911 605 HA VAL 138 HA VAL 138 -20.187 -9.354 3.437 606 HB VAL 138 HB VAL 138 -18.837 -7.607 3.468 607 H GLU 139 H GLU 139 -22.007 -8.166 6.255 608 HA GLU 139 HA GLU 139 -20.157 -8.965 8.182 609 1HB GLU 139 1HB GLU 139 -23.119 -8.526 8.145 610 2HB GLU 139 2HB GLU 139 -22.312 -9.112 9.579 611 1HG GLU 139 1HG GLU 139 -20.858 -6.902 8.579 612 2HG GLU 139 2HG GLU 139 -22.565 -6.470 8.663 613 H ALA 140 H ALA 140 -22.768 -10.610 6.519 614 HA ALA 140 HA ALA 140 -22.633 -13.010 7.928 615 1HB ALA 140 1HB ALA 140 -23.443 -12.523 5.068 616 2HB ALA 140 2HB ALA 140 -24.507 -12.509 6.474 617 3HB ALA 140 3HB ALA 140 -23.744 -14.014 5.961 618 H ALA 141 H ALA 141 -20.952 -11.852 5.098 619 HA ALA 141 HA ALA 141 -19.507 -14.174 4.492 620 1HB ALA 141 1HB ALA 141 -19.714 -12.351 2.900 621 2HB ALA 141 2HB ALA 141 -18.012 -12.666 3.235 622 3HB ALA 141 3HB ALA 141 -18.815 -11.285 3.980 623 H MET 142 H MET 142 -18.788 -11.339 6.450 624 HA MET 142 HA MET 142 -16.220 -11.910 7.261 625 1HB MET 142 1HB MET 142 -18.508 -10.576 8.691 626 2HB MET 142 2HB MET 142 -16.903 -10.665 9.371 627 1HG MET 142 1HG MET 142 -16.047 -9.391 7.442 628 2HG MET 142 2HG MET 142 -17.708 -9.250 6.848 629 1HE MET 142 1HE MET 142 -15.998 -6.796 7.172 630 2HE MET 142 2HE MET 142 -17.711 -6.507 6.896 631 3HE MET 142 3HE MET 142 -16.873 -5.650 8.187 632 H ALA 143 H ALA 143 -19.258 -12.898 8.508 633 HA ALA 143 HA ALA 143 -18.458 -14.123 10.890 634 1HB ALA 143 1HB ALA 143 -20.686 -15.122 10.900 635 2HB ALA 143 2HB ALA 143 -20.903 -14.612 9.223 636 3HB ALA 143 3HB ALA 143 -20.728 -13.406 10.500 637 H GLU 144 H GLU 144 -19.209 -15.609 7.757 638 HA GLU 144 HA GLU 144 -18.912 -18.249 8.521 639 1HB GLU 144 1HB GLU 144 -18.277 -17.062 5.864 640 2HB GLU 144 2HB GLU 144 -18.668 -18.738 6.188 641 1HG GLU 144 1HG GLU 144 -20.778 -17.306 7.252 642 2HG GLU 144 2HG GLU 144 -20.375 -16.498 5.746 643 H LEU 145 H LEU 145 -16.630 -16.075 7.038 644 HA LEU 145 HA LEU 145 -14.459 -17.912 7.099 645 1HB LEU 145 1HB LEU 145 -14.222 -14.947 6.772 646 2HB LEU 145 2HB LEU 145 -13.270 -16.215 6.050 647 HG LEU 145 HG LEU 145 -16.147 -16.078 5.320 648 H ASN 146 H ASN 146 -15.701 -15.567 9.295 649 HA ASN 146 HA ASN 146 -15.143 -14.957 11.398 650 1HB ASN 146 1HB ASN 146 -14.413 -17.271 11.801 651 2HB ASN 146 2HB ASN 146 -12.853 -16.861 11.135 652 1HD2 ASN 146 1HD2 ASN 146 -15.049 -16.308 13.735 653 1HD2 ASN 146 1HD2 ASN 146 -13.867 -15.775 14.873 654 H TYR 147 H TYR 147 -14.843 -13.201 9.819 655 HA TYR 147 HA TYR 147 -12.262 -12.305 9.076 656 1HB TYR 147 1HB TYR 147 -14.213 -11.623 7.799 657 2HB TYR 147 2HB TYR 147 -14.900 -10.860 9.225 658 HD1 TYR 147 HD1 TYR 147 -14.747 -8.567 9.345 659 HD2 TYR 147 HD2 TYR 147 -11.662 -10.708 7.351 660 HE1 TYR 147 HE1 TYR 147 -13.589 -6.461 8.879 661 HE2 TYR 147 HE2 TYR 147 -10.509 -8.590 6.866 662 HH TYR 147 HH TYR 147 -10.818 -6.299 6.779 663 H ILE 148 H ILE 148 -10.833 -11.103 10.070 664 HA ILE 148 HA ILE 148 -11.648 -9.342 12.243 665 HB ILE 148 HB ILE 148 -9.321 -11.278 12.415 666 HA PRO 149 HA PRO 149 -9.081 -6.913 9.532 667 1HB PRO 149 1HB PRO 149 -9.530 -4.510 10.686 668 2HB PRO 149 2HB PRO 149 -10.717 -5.316 9.654 669 1HG PRO 149 1HG PRO 149 -10.653 -5.037 12.606 670 2HG PRO 149 2HG PRO 149 -12.043 -5.141 11.511 671 1HD PRO 149 1HD PRO 149 -10.995 -7.218 13.080 672 2HD PRO 149 2HD PRO 149 -12.153 -7.404 11.752 673 H ASN 150 H ASN 150 -7.285 -5.135 9.888 674 HA ASN 150 HA ASN 150 -5.712 -5.944 12.207 675 1HB ASN 150 1HB ASN 150 -5.073 -5.514 9.322 676 2HB ASN 150 2HB ASN 150 -3.877 -4.964 10.499 677 1HD2 ASN 150 1HD2 ASN 150 -4.382 -7.315 8.504 678 1HD2 ASN 150 1HD2 ASN 150 -3.769 -8.666 9.402 679 H ARG 151 H ARG 151 -5.361 -4.359 13.603 680 HA ARG 151 HA ARG 151 -6.586 -1.878 13.429 681 1HB ARG 151 1HB ARG 151 -5.640 -3.247 15.443 682 2HB ARG 151 2HB ARG 151 -4.229 -2.239 15.177 683 1HG ARG 151 1HG ARG 151 -5.577 -1.206 16.842 684 2HG ARG 151 2HG ARG 151 -5.680 -0.240 15.384 685 1HD ARG 151 1HD ARG 151 -7.787 -1.651 14.914 686 2HD ARG 151 2HD ARG 151 -7.717 -2.004 16.628 687 HE ARG 151 HE ARG 151 -7.755 0.480 16.949 688 1HH1 ARG 151 1HH1 ARG 151 -9.212 -1.020 14.137 689 1HH2 ARG 151 1HH2 ARG 151 -9.214 2.203 16.576 690 2HH1 ARG 151 2HH1 ARG 151 -10.309 0.295 13.854 691 2HH2 ARG 151 2HH2 ARG 151 -10.309 2.118 15.229 692 H CYS 152 H CYS 152 -3.388 -2.769 12.329 693 HA CYS 152 HA CYS 152 -2.415 -0.042 12.264 694 1HB CYS 152 1HB CYS 152 -1.063 -2.304 12.414 695 2HB CYS 152 2HB CYS 152 -1.196 -2.235 10.658 696 H ALA 153 H ALA 153 -3.238 -2.442 9.832 697 HA ALA 153 HA ALA 153 -3.116 -0.864 7.609 698 1HB ALA 153 1HB ALA 153 -5.226 -2.958 8.114 699 2HB ALA 153 2HB ALA 153 -4.669 -2.381 6.545 700 3HB ALA 153 3HB ALA 153 -3.577 -3.288 7.590 701 H GLN 154 H GLN 154 -5.696 -1.098 9.975 702 HA GLN 154 HA GLN 154 -7.574 0.572 8.693 703 1HB GLN 154 1HB GLN 154 -7.141 -0.068 11.608 704 2HB GLN 154 2HB GLN 154 -8.560 0.725 10.948 705 1HG GLN 154 1HG GLN 154 -8.777 -1.365 9.469 706 2HG GLN 154 2HG GLN 154 -7.673 -2.100 10.622 707 H GLN 155 H GLN 155 -5.121 1.103 11.182 708 HA GLN 155 HA GLN 155 -5.560 3.844 11.589 709 1HB GLN 155 1HB GLN 155 -3.222 2.035 12.035 710 2HB GLN 155 2HB GLN 155 -3.072 3.755 12.330 711 1HG GLN 155 1HG GLN 155 -4.312 1.684 13.913 712 2HG GLN 155 2HG GLN 155 -3.786 3.303 14.390 713 H LEU 156 H LEU 156 -3.126 2.229 9.562 714 HA LEU 156 HA LEU 156 -1.942 4.499 8.466 715 1HB LEU 156 1HB LEU 156 -1.308 2.000 8.410 716 2HB LEU 156 2HB LEU 156 -2.336 1.912 6.991 717 HG LEU 156 HG LEU 156 -0.902 3.460 5.800 718 H ALA 157 H ALA 157 -4.185 2.365 6.849 719 HA ALA 157 HA ALA 157 -4.825 3.980 4.695 720 1HB ALA 157 1HB ALA 157 -6.846 2.115 5.906 721 2HB ALA 157 2HB ALA 157 -6.640 2.561 4.215 722 3HB ALA 157 3HB ALA 157 -5.436 1.549 5.012 723 H GLY 158 H GLY 158 -6.121 4.149 7.933 724 1HA GLY 158 1HA GLY 158 -7.845 5.442 8.809 725 2HA GLY 158 2HA GLY 158 -8.274 5.918 7.169 726 H LYS 159 H LYS 159 -5.019 6.265 7.612 727 HA LYS 159 HA LYS 159 -5.198 9.023 8.543 728 1HB LYS 159 1HB LYS 159 -3.723 7.372 9.730 729 2HB LYS 159 2HB LYS 159 -2.767 7.297 8.268 730 1HG LYS 159 1HG LYS 159 -2.612 9.874 8.565 731 2HG LYS 159 2HG LYS 159 -3.009 9.504 10.246 732 1HD LYS 159 1HD LYS 159 -0.649 9.519 10.130 733 2HD LYS 159 2HD LYS 159 -1.110 7.816 10.140 734 1HE LYS 159 1HE LYS 159 0.628 8.310 8.459 735 2HE LYS 159 2HE LYS 159 -0.861 7.690 7.749 736 1HZ LYS 159 1HZ LYS 159 -0.838 10.548 7.933 737 2HZ LYS 159 2HZ LYS 159 0.431 9.945 6.982 738 3HZ LYS 159 3HZ LYS 159 -1.173 9.544 6.608 739 H GLN 160 H GLN 160 -6.126 8.840 6.078 740 HA GLN 160 HA GLN 160 -4.300 8.840 3.969 741 1HB GLN 160 1HB GLN 160 -6.840 10.392 3.926 742 2HB GLN 160 2HB GLN 160 -6.038 9.587 2.603 743 1HG GLN 160 1HG GLN 160 -7.530 7.984 2.896 744 2HG GLN 160 2HG GLN 160 -6.553 7.512 4.283 745 H SER 161 H SER 161 -6.104 11.689 5.000 746 HA SER 161 HA SER 161 -3.957 13.380 3.990 747 1HB SER 161 1HB SER 161 -6.164 14.874 5.006 748 2HB SER 161 2HB SER 161 -5.643 14.675 3.333 749 HG SER 161 HG SER 161 -6.872 12.767 3.230 750 H LEU 162 H LEU 162 -4.086 11.911 6.733 751 HA LEU 162 HA LEU 162 -3.752 14.250 8.449 752 1HB LEU 162 1HB LEU 162 -3.993 11.350 9.138 753 2HB LEU 162 2HB LEU 162 -3.747 12.622 10.313 754 HG LEU 162 HG LEU 162 -6.147 12.374 8.500 No H/Q in entry = 754 Start of MODEL 4 1 H1 MET 1 H1 MET 1 0.532 21.062 3.386 2 H2 MET 1 H2 MET 1 1.115 22.047 2.142 3 H3 MET 1 H3 MET 1 0.647 20.460 1.812 4 HA MET 1 HA MET 1 2.986 20.491 1.851 5 1HB MET 1 1HB MET 1 3.261 22.571 3.124 6 2HB MET 1 2HB MET 1 2.692 21.767 4.579 7 1HG MET 1 1HG MET 1 5.024 21.847 4.773 8 2HG MET 1 2HG MET 1 4.652 20.187 4.312 9 1HE MET 1 1HE MET 1 7.047 19.693 3.686 10 2HE MET 1 2HE MET 1 7.994 20.528 2.454 11 3HE MET 1 3HE MET 1 7.671 21.312 4.001 12 H LYS 2 H LYS 2 3.525 18.439 2.039 13 HA LYS 2 HA LYS 2 2.312 16.833 4.156 14 1HB LYS 2 1HB LYS 2 3.140 14.889 2.857 15 2HB LYS 2 2HB LYS 2 2.098 15.933 1.902 16 1HG LYS 2 1HG LYS 2 3.677 16.063 0.359 17 2HG LYS 2 2HG LYS 2 4.745 16.835 1.534 18 1HD LYS 2 1HD LYS 2 5.531 14.659 2.281 19 2HD LYS 2 2HD LYS 2 4.427 13.858 1.160 20 1HE LYS 2 1HE LYS 2 5.589 14.844 -0.726 21 2HE LYS 2 2HE LYS 2 6.651 15.731 0.366 22 1HZ LYS 2 1HZ LYS 2 6.492 12.781 0.434 23 2HZ LYS 2 2HZ LYS 2 7.514 13.584 -0.646 24 3HZ LYS 2 3HZ LYS 2 7.726 13.788 1.021 25 HA PRO 3 HA PRO 3 6.043 16.651 6.489 26 1HB PRO 3 1HB PRO 3 5.591 13.863 7.162 27 2HB PRO 3 2HB PRO 3 5.508 15.283 8.203 28 1HG PRO 3 1HG PRO 3 3.316 13.868 7.482 29 2HG PRO 3 2HG PRO 3 3.269 15.616 7.784 30 1HD PRO 3 1HD PRO 3 3.359 14.132 5.182 31 2HD PRO 3 2HD PRO 3 2.419 15.576 5.627 32 H VAL 4 H VAL 4 8.019 15.276 6.884 33 HA VAL 4 HA VAL 4 9.228 14.618 4.395 34 HB VAL 4 HB VAL 4 10.327 13.695 7.015 35 H THR 5 H THR 5 9.956 12.574 3.687 36 HA THR 5 HA THR 5 8.968 10.220 5.088 37 HB THR 5 HB THR 5 7.986 9.375 2.850 38 HG1 THR 5 HG1 THR 5 8.286 12.132 2.404 39 H LEU 6 H LEU 6 9.480 8.232 3.594 40 HA LEU 6 HA LEU 6 12.335 8.313 3.324 41 1HB LEU 6 1HB LEU 6 11.578 6.030 1.949 42 2HB LEU 6 2HB LEU 6 12.122 6.125 3.609 43 HG LEU 6 HG LEU 6 9.540 6.580 4.028 44 H TYR 7 H TYR 7 9.685 8.848 1.193 45 HA TYR 7 HA TYR 7 10.980 8.367 -1.261 46 1HB TYR 7 1HB TYR 7 8.634 10.044 -0.410 47 2HB TYR 7 2HB TYR 7 9.213 10.067 -2.067 48 HD1 TYR 7 HD1 TYR 7 7.420 8.176 0.460 49 HD2 TYR 7 HD2 TYR 7 8.998 8.066 -3.481 50 HE1 TYR 7 HE1 TYR 7 6.004 6.235 -0.046 51 HE2 TYR 7 HE2 TYR 7 7.599 6.110 -3.997 52 HH TYR 7 HH TYR 7 6.479 4.250 -2.697 53 H ASP 8 H ASP 8 10.668 11.127 0.866 54 HA ASP 8 HA ASP 8 11.823 13.069 -0.790 55 1HB ASP 8 1HB ASP 8 11.436 12.800 2.196 56 2HB ASP 8 2HB ASP 8 12.111 14.247 1.466 57 H VAL 9 H VAL 9 13.154 11.363 2.033 58 HA VAL 9 HA VAL 9 15.736 12.332 1.510 59 HB VAL 9 HB VAL 9 16.237 11.587 3.505 60 H ALA 10 H ALA 10 13.989 9.675 0.197 61 HA ALA 10 HA ALA 10 16.266 8.262 -0.818 62 1HB ALA 10 1HB ALA 10 13.435 8.201 -1.852 63 2HB ALA 10 2HB ALA 10 14.704 7.023 -2.186 64 3HB ALA 10 3HB ALA 10 14.055 7.183 -0.553 65 H GLU 11 H GLU 11 14.197 10.826 -1.879 66 HA GLU 11 HA GLU 11 15.076 10.997 -4.582 67 1HB GLU 11 1HB GLU 11 13.138 12.167 -2.961 68 2HB GLU 11 2HB GLU 11 14.175 13.496 -3.425 69 1HG GLU 11 1HG GLU 11 12.824 11.577 -5.301 70 2HG GLU 11 2HG GLU 11 12.329 13.228 -4.973 71 H TYR 12 H TYR 12 15.759 12.591 -1.612 72 HA TYR 12 HA TYR 12 17.680 14.470 -2.354 73 1HB TYR 12 1HB TYR 12 16.368 13.639 -0.111 74 2HB TYR 12 2HB TYR 12 18.001 13.129 0.214 75 HD1 TYR 12 HD1 TYR 12 16.264 16.179 -1.075 76 HD2 TYR 12 HD2 TYR 12 19.287 14.546 1.420 77 HE1 TYR 12 HE1 TYR 12 16.794 18.432 -0.254 78 HE2 TYR 12 HE2 TYR 12 19.830 16.772 2.249 79 HH TYR 12 HH TYR 12 19.380 18.977 2.136 80 H ALA 13 H ALA 13 18.063 11.408 -0.789 81 HA ALA 13 HA ALA 13 20.837 11.219 -0.921 82 1HB ALA 13 1HB ALA 13 19.458 9.929 0.623 83 2HB ALA 13 2HB ALA 13 18.880 8.954 -0.726 84 3HB ALA 13 3HB ALA 13 20.582 8.904 -0.273 85 H GLY 14 H GLY 14 18.462 10.554 -3.324 86 1HA GLY 14 1HA GLY 14 20.547 10.040 -5.258 87 2HA GLY 14 2HA GLY 14 18.824 10.188 -5.587 88 H VAL 15 H VAL 15 17.811 8.310 -3.871 89 HA VAL 15 HA VAL 15 18.670 5.821 -5.121 90 HB VAL 15 HB VAL 15 18.482 4.624 -2.962 91 H SER 16 H SER 16 16.909 4.195 -3.676 92 HA SER 16 HA SER 16 14.314 5.333 -4.472 93 1HB SER 16 1HB SER 16 13.529 3.107 -4.887 94 2HB SER 16 2HB SER 16 15.100 3.239 -5.672 95 HG SER 16 HG SER 16 15.927 1.865 -4.280 96 H VAL 17 H VAL 17 12.528 3.943 -3.135 97 HA VAL 17 HA VAL 17 12.944 4.805 -0.435 98 HB VAL 17 HB VAL 17 10.681 4.006 -0.057 99 H ALA 18 H ALA 18 13.562 2.051 -2.242 100 HA ALA 18 HA ALA 18 13.264 0.122 -0.181 101 1HB ALA 18 1HB ALA 18 14.766 0.032 -2.786 102 2HB ALA 18 2HB ALA 18 14.572 -1.346 -1.701 103 3HB ALA 18 3HB ALA 18 13.159 -0.615 -2.460 104 H THR 19 H THR 19 15.876 2.187 -1.412 105 HA THR 19 HA THR 19 17.916 0.941 0.089 106 HB THR 19 HB THR 19 18.295 3.762 -0.533 107 HG1 THR 19 HG1 THR 19 18.154 2.244 -2.849 108 H VAL 20 H VAL 20 16.000 3.845 0.517 109 HA VAL 20 HA VAL 20 17.074 4.636 2.976 110 HB VAL 20 HB VAL 20 14.397 5.207 1.720 111 H SER 21 H SER 21 14.265 2.552 2.307 112 HA SER 21 HA SER 21 13.447 2.283 4.959 113 1HB SER 21 1HB SER 21 13.152 0.382 2.627 114 2HB SER 21 2HB SER 21 12.324 0.204 4.179 115 HG SER 21 HG SER 21 12.010 2.184 2.201 116 H ARG 22 H ARG 22 16.029 0.774 3.088 117 HA ARG 22 HA ARG 22 16.595 -1.320 4.870 118 1HB ARG 22 1HB ARG 22 18.343 0.261 3.017 119 2HB ARG 22 2HB ARG 22 18.932 -1.078 3.966 120 1HG ARG 22 1HG ARG 22 16.700 -1.305 1.985 121 2HG ARG 22 2HG ARG 22 18.393 -1.640 1.635 122 1HD ARG 22 1HD ARG 22 18.360 -3.299 3.515 123 2HD ARG 22 2HD ARG 22 16.619 -3.053 3.616 124 HE ARG 22 HE ARG 22 17.274 -3.712 0.975 125 1HH1 ARG 22 1HH1 ARG 22 17.216 -5.165 4.154 126 1HH2 ARG 22 1HH2 ARG 22 16.945 -5.834 0.176 127 2HH1 ARG 22 2HH1 ARG 22 16.955 -6.772 3.556 128 2HH2 ARG 22 2HH2 ARG 22 16.826 -7.157 1.287 129 H VAL 23 H VAL 23 17.882 1.940 4.568 130 HA VAL 23 HA VAL 23 19.641 1.776 6.779 131 HB VAL 23 HB VAL 23 18.435 4.247 5.548 132 H VAL 24 H VAL 24 16.378 3.002 6.364 133 HA VAL 24 HA VAL 24 15.883 3.849 8.985 134 HB VAL 24 HB VAL 24 14.269 2.973 6.634 135 H ASN 25 H ASN 25 15.994 0.778 7.458 136 HA ASN 25 HA ASN 25 15.005 -0.676 9.826 137 1HB ASN 25 1HB ASN 25 15.376 -1.321 6.950 138 2HB ASN 25 2HB ASN 25 15.658 -2.635 8.080 139 1HD2 ASN 25 1HD2 ASN 25 13.374 -0.627 6.545 140 1HD2 ASN 25 1HD2 ASN 25 11.945 -1.397 7.172 141 H GLN 26 H GLN 26 17.676 0.716 9.571 142 HA GLN 26 HA GLN 26 19.749 0.416 10.428 143 1HB GLN 26 1HB GLN 26 19.459 -2.455 11.051 144 2HB GLN 26 2HB GLN 26 20.244 -1.192 11.975 145 1HG GLN 26 1HG GLN 26 17.349 -1.875 11.820 146 2HG GLN 26 2HG GLN 26 18.385 -1.855 13.242 147 H ALA 27 H ALA 27 19.639 0.487 7.963 148 HA ALA 27 HA ALA 27 20.082 -0.305 5.862 149 1HB ALA 27 1HB ALA 27 22.691 -0.241 7.333 150 2HB ALA 27 2HB ALA 27 21.798 1.144 6.707 151 3HB ALA 27 3HB ALA 27 22.470 -0.047 5.594 152 H SER 28 H SER 28 22.668 -2.142 7.372 153 HA SER 28 HA SER 28 23.302 -4.291 7.212 154 1HB SER 28 1HB SER 28 20.447 -4.763 6.474 155 2HB SER 28 2HB SER 28 21.598 -6.038 6.851 156 HG SER 28 HG SER 28 21.311 -3.983 8.718 157 H HIS 29 H HIS 29 20.908 -4.573 4.655 158 HA HIS 29 HA HIS 29 23.014 -5.165 2.774 159 1HB HIS 29 1HB HIS 29 20.028 -5.266 2.608 160 2HB HIS 29 2HB HIS 29 20.973 -5.267 1.129 161 HD1 HIS 29 HD1 HIS 29 19.828 -7.710 0.906 162 HD2 HIS 29 HD2 HIS 29 22.766 -7.273 3.806 163 HE1 HIS 29 HE1 HIS 29 20.608 -10.037 1.430 164 HE2 HIS 29 HE2 HIS 29 22.527 -9.725 3.023 165 H VAL 30 H VAL 30 23.066 -2.509 3.735 166 HA VAL 30 HA VAL 30 22.838 -1.045 1.231 167 HB VAL 30 HB VAL 30 21.715 -0.337 3.839 168 H SER 31 H SER 31 24.754 -0.234 0.565 169 HA SER 31 HA SER 31 27.161 -0.766 1.810 170 1HB SER 31 1HB SER 31 26.828 1.639 0.039 171 2HB SER 31 2HB SER 31 28.155 0.475 0.093 172 HG SER 31 HG SER 31 26.230 0.453 -1.607 173 H ALA 32 H ALA 32 28.585 0.449 3.070 174 HA ALA 32 HA ALA 32 27.601 2.002 5.103 175 1HB ALA 32 1HB ALA 32 30.387 2.242 3.981 176 2HB ALA 32 2HB ALA 32 29.847 0.950 5.053 177 3HB ALA 32 3HB ALA 32 29.863 2.618 5.623 178 H LYS 33 H LYS 33 29.051 3.143 2.060 179 HA LYS 33 HA LYS 33 28.855 5.872 2.590 180 1HB LYS 33 1HB LYS 33 29.686 4.299 0.456 181 2HB LYS 33 2HB LYS 33 28.401 5.312 -0.188 182 1HG LYS 33 1HG LYS 33 30.684 6.429 1.409 183 2HG LYS 33 2HG LYS 33 30.747 6.228 -0.340 184 1HD LYS 33 1HD LYS 33 29.199 7.867 -0.729 185 2HD LYS 33 2HD LYS 33 28.413 7.646 0.837 186 1HE LYS 33 1HE LYS 33 31.214 8.667 0.739 187 2HE LYS 33 2HE LYS 33 29.888 9.765 0.359 188 1HZ LYS 33 1HZ LYS 33 30.028 8.166 2.864 189 2HZ LYS 33 2HZ LYS 33 30.590 9.756 2.730 190 3HZ LYS 33 3HZ LYS 33 28.953 9.421 2.500 191 H THR 34 H THR 34 26.534 3.665 1.153 192 HA THR 34 HA THR 34 24.583 5.573 0.489 193 HB THR 34 HB THR 34 24.102 2.744 1.249 194 HG1 THR 34 HG1 THR 34 24.254 2.492 -1.149 195 H ARG 35 H ARG 35 25.040 3.548 3.319 196 HA ARG 35 HA ARG 35 22.840 4.258 4.794 197 1HB ARG 35 1HB ARG 35 24.301 2.567 5.628 198 2HB ARG 35 2HB ARG 35 25.673 3.663 5.668 199 1HG ARG 35 1HG ARG 35 23.305 4.270 7.364 200 2HG ARG 35 2HG ARG 35 24.398 2.989 7.854 201 1HD ARG 35 1HD ARG 35 26.234 4.495 7.857 202 2HD ARG 35 2HD ARG 35 25.237 5.771 7.193 203 HE ARG 35 HE ARG 35 23.987 5.782 9.292 204 1HH1 ARG 35 1HH1 ARG 35 27.166 4.285 9.331 205 1HH2 ARG 35 1HH2 ARG 35 24.248 6.044 11.496 206 2HH1 ARG 35 2HH1 ARG 35 27.364 4.481 11.043 207 2HH2 ARG 35 2HH2 ARG 35 25.695 5.498 12.286 208 H GLU 36 H GLU 36 25.912 5.898 4.551 209 HA GLU 36 HA GLU 36 25.286 8.083 6.249 210 1HB GLU 36 1HB GLU 36 27.321 7.780 4.080 211 2HB GLU 36 2HB GLU 36 27.266 9.142 5.163 212 1HG GLU 36 1HG GLU 36 27.826 7.796 6.999 213 2HG GLU 36 2HG GLU 36 27.573 6.323 6.077 214 H LYS 37 H LYS 37 25.096 7.472 2.849 215 HA LYS 37 HA LYS 37 24.499 9.906 1.728 216 1HB LYS 37 1HB LYS 37 24.954 7.837 0.474 217 2HB LYS 37 2HB LYS 37 23.436 7.170 1.040 218 1HG LYS 37 1HG LYS 37 22.484 9.361 -0.066 219 2HG LYS 37 2HG LYS 37 23.930 9.171 -1.066 220 1HD LYS 37 1HD LYS 37 21.978 6.939 -0.545 221 2HD LYS 37 2HD LYS 37 21.820 8.047 -1.907 222 1HE LYS 37 1HE LYS 37 24.252 6.365 -1.363 223 2HE LYS 37 2HE LYS 37 22.949 5.889 -2.443 224 1HZ LYS 37 1HZ LYS 37 23.405 7.845 -3.788 225 2HZ LYS 37 2HZ LYS 37 24.666 8.288 -2.757 226 3HZ LYS 37 3HZ LYS 37 24.776 6.866 -3.660 227 H VAL 38 H VAL 38 22.278 7.559 2.999 228 HA VAL 38 HA VAL 38 20.019 9.258 2.465 229 HB VAL 38 HB VAL 38 18.644 7.539 2.658 230 H GLU 39 H GLU 39 21.910 8.296 5.291 231 HA GLU 39 HA GLU 39 20.128 9.224 7.226 232 1HB GLU 39 1HB GLU 39 23.103 8.841 7.130 233 2HB GLU 39 2HB GLU 39 22.300 9.452 8.554 234 1HG GLU 39 1HG GLU 39 20.893 7.162 7.722 235 2HG GLU 39 2HG GLU 39 22.615 6.776 7.699 236 H ALA 40 H ALA 40 22.691 10.718 5.377 237 HA ALA 40 HA ALA 40 22.631 13.224 6.560 238 1HB ALA 40 1HB ALA 40 24.405 12.543 5.037 239 2HB ALA 40 2HB ALA 40 23.255 12.519 3.699 240 3HB ALA 40 3HB ALA 40 23.659 14.044 4.487 241 H ALA 41 H ALA 41 20.798 11.873 3.915 242 HA ALA 41 HA ALA 41 19.327 14.161 3.230 243 1HB ALA 41 1HB ALA 41 18.643 11.240 2.907 244 2HB ALA 41 2HB ALA 41 17.779 12.567 2.141 245 3HB ALA 41 3HB ALA 41 19.468 12.264 1.732 246 H MET 42 H MET 42 18.648 11.429 5.363 247 HA MET 42 HA MET 42 16.112 12.091 6.190 248 1HB MET 42 1HB MET 42 18.379 10.773 7.669 249 2HB MET 42 2HB MET 42 16.771 10.928 8.337 250 1HG MET 42 1HG MET 42 15.974 9.678 6.263 251 2HG MET 42 2HG MET 42 17.676 9.278 6.015 252 1HE MET 42 1HE MET 42 16.210 6.910 6.016 253 2HE MET 42 2HE MET 42 17.866 6.602 6.535 254 3HE MET 42 3HE MET 42 16.519 5.883 7.417 255 H ALA 43 H ALA 43 19.210 13.085 7.331 256 HA ALA 43 HA ALA 43 18.466 14.432 9.662 257 1HB ALA 43 1HB ALA 43 20.874 14.858 7.914 258 2HB ALA 43 2HB ALA 43 20.735 13.700 9.239 259 3HB ALA 43 3HB ALA 43 20.694 15.428 9.576 260 H GLU 44 H GLU 44 19.147 15.759 6.448 261 HA GLU 44 HA GLU 44 18.881 18.441 7.094 262 1HB GLU 44 1HB GLU 44 18.200 17.145 4.499 263 2HB GLU 44 2HB GLU 44 18.636 18.821 4.747 264 1HG GLU 44 1HG GLU 44 20.780 17.604 5.809 265 2HG GLU 44 2HG GLU 44 20.297 16.431 4.590 266 H LEU 45 H LEU 45 16.561 16.197 5.776 267 HA LEU 45 HA LEU 45 14.418 18.059 5.731 268 1HB LEU 45 1HB LEU 45 14.147 15.081 5.609 269 2HB LEU 45 2HB LEU 45 13.193 16.305 4.820 270 HG LEU 45 HG LEU 45 16.060 16.062 4.059 271 H ASN 46 H ASN 46 15.701 15.878 8.059 272 HA ASN 46 HA ASN 46 15.185 15.402 10.199 273 1HB ASN 46 1HB ASN 46 14.575 17.761 10.475 274 2HB ASN 46 2HB ASN 46 12.984 17.404 9.855 275 1HD2 ASN 46 1HD2 ASN 46 15.160 16.959 12.492 276 1HD2 ASN 46 1HD2 ASN 46 13.949 16.576 13.659 277 H TYR 47 H TYR 47 14.748 13.562 8.705 278 HA TYR 47 HA TYR 47 12.073 12.783 8.191 279 1HB TYR 47 1HB TYR 47 13.983 12.021 6.826 280 2HB TYR 47 2HB TYR 47 14.578 11.096 8.201 281 HD1 TYR 47 HD1 TYR 47 14.459 8.903 7.210 282 HD2 TYR 47 HD2 TYR 47 11.025 11.413 7.279 283 HE1 TYR 47 HE1 TYR 47 13.066 7.022 6.496 284 HE2 TYR 47 HE2 TYR 47 9.633 9.526 6.598 285 HH TYR 47 HH TYR 47 10.558 6.408 6.713 286 H ILE 48 H ILE 48 10.717 11.595 9.244 287 HA ILE 48 HA ILE 48 11.550 10.000 11.541 288 HB ILE 48 HB ILE 48 9.180 11.888 11.580 289 HA PRO 49 HA PRO 49 9.003 7.341 8.996 290 1HB PRO 49 1HB PRO 49 9.362 5.068 10.426 291 2HB PRO 49 2HB PRO 49 10.591 5.712 9.333 292 1HG PRO 49 1HG PRO 49 10.427 5.855 12.295 293 2HG PRO 49 2HG PRO 49 11.844 5.666 11.250 294 1HD PRO 49 1HD PRO 49 11.084 8.034 12.434 295 2HD PRO 49 2HD PRO 49 12.091 7.926 10.983 296 H ASN 50 H ASN 50 7.094 5.775 9.426 297 HA ASN 50 HA ASN 50 5.546 6.861 11.642 298 1HB ASN 50 1HB ASN 50 4.970 6.228 8.815 299 2HB ASN 50 2HB ASN 50 3.754 5.656 9.963 300 1HD2 ASN 50 1HD2 ASN 50 4.189 7.935 7.915 301 1HD2 ASN 50 1HD2 ASN 50 3.488 9.292 8.737 302 H ARG 51 H ARG 51 5.034 5.499 13.184 303 HA ARG 51 HA ARG 51 6.182 3.002 13.462 304 1HB ARG 51 1HB ARG 51 5.107 4.654 15.176 305 2HB ARG 51 2HB ARG 51 3.694 3.644 14.932 306 1HG ARG 51 1HG ARG 51 4.908 2.883 16.856 307 2HG ARG 51 2HG ARG 51 5.012 1.672 15.585 308 1HD ARG 51 1HD ARG 51 7.202 3.300 15.150 309 2HD ARG 51 2HD ARG 51 7.103 3.168 16.901 310 HE ARG 51 HE ARG 51 6.817 0.615 16.114 311 1HH1 ARG 51 1HH1 ARG 51 9.205 3.066 15.386 312 1HH2 ARG 51 1HH2 ARG 51 8.505 -0.893 15.743 313 2HH1 ARG 51 2HH1 ARG 51 10.473 1.922 15.098 314 2HH2 ARG 51 2HH2 ARG 51 10.078 -0.315 15.300 315 H CYS 52 H CYS 52 3.081 3.742 11.975 316 HA CYS 52 HA CYS 52 2.210 0.971 12.206 317 1HB CYS 52 1HB CYS 52 0.813 3.287 12.180 318 2HB CYS 52 2HB CYS 52 0.728 2.832 10.483 319 H ALA 53 H ALA 53 2.979 3.250 9.642 320 HA ALA 53 HA ALA 53 2.796 1.556 7.486 321 1HB ALA 53 1HB ALA 53 4.926 3.656 7.910 322 2HB ALA 53 2HB ALA 53 4.422 2.974 6.364 323 3HB ALA 53 3HB ALA 53 3.298 3.952 7.302 324 H GLN 54 H GLN 54 5.429 1.902 9.799 325 HA GLN 54 HA GLN 54 7.233 0.098 8.591 326 1HB GLN 54 1HB GLN 54 6.916 1.033 11.442 327 2HB GLN 54 2HB GLN 54 8.273 0.094 10.854 328 1HG GLN 54 1HG GLN 54 8.503 2.010 9.119 329 2HG GLN 54 2HG GLN 54 7.562 2.919 10.292 330 H GLN 55 H GLN 55 4.829 -0.183 11.140 331 HA GLN 55 HA GLN 55 5.271 -2.869 11.799 332 1HB GLN 55 1HB GLN 55 2.943 -1.030 12.106 333 2HB GLN 55 2HB GLN 55 2.757 -2.729 12.497 334 1HG GLN 55 1HG GLN 55 4.107 -0.586 13.928 335 2HG GLN 55 2HG GLN 55 3.417 -2.092 14.542 336 H LEU 56 H LEU 56 2.989 -1.406 9.548 337 HA LEU 56 HA LEU 56 1.847 -3.793 8.633 338 1HB LEU 56 1HB LEU 56 1.161 -1.313 8.320 339 2HB LEU 56 2HB LEU 56 2.206 -1.374 6.910 340 HG LEU 56 HG LEU 56 0.846 -3.112 5.920 341 H ALA 57 H ALA 57 4.162 -1.741 6.984 342 HA ALA 57 HA ALA 57 4.836 -3.464 4.916 343 1HB ALA 57 1HB ALA 57 5.477 -1.021 5.184 344 2HB ALA 57 2HB ALA 57 6.852 -1.592 6.124 345 3HB ALA 57 3HB ALA 57 6.675 -2.078 4.440 346 H GLY 58 H GLY 58 6.090 -3.385 8.179 347 1HA GLY 58 1HA GLY 58 7.705 -4.624 9.236 348 2HA GLY 58 2HA GLY 58 8.244 -5.217 7.675 349 H LYS 59 H LYS 59 5.219 -5.905 7.355 350 HA LYS 59 HA LYS 59 4.691 -8.008 9.160 351 1HB LYS 59 1HB LYS 59 3.273 -6.641 7.249 352 2HB LYS 59 2HB LYS 59 3.486 -8.211 6.517 353 1HG LYS 59 1HG LYS 59 2.105 -7.574 9.089 354 2HG LYS 59 2HG LYS 59 1.408 -8.236 7.634 355 1HD LYS 59 1HD LYS 59 3.591 -9.805 8.821 356 2HD LYS 59 2HD LYS 59 2.108 -9.704 9.781 357 1HE LYS 59 1HE LYS 59 1.132 -11.170 8.440 358 2HE LYS 59 2HE LYS 59 1.387 -10.047 7.104 359 1HZ LYS 59 1HZ LYS 59 3.623 -11.035 6.824 360 2HZ LYS 59 2HZ LYS 59 3.242 -12.181 8.006 361 3HZ LYS 59 3HZ LYS 59 2.375 -12.143 6.555 362 H GLN 60 H GLN 60 6.538 -7.730 6.252 363 HA GLN 60 HA GLN 60 6.642 -10.527 5.698 364 1HB GLN 60 1HB GLN 60 8.362 -8.311 4.678 365 2HB GLN 60 2HB GLN 60 8.246 -9.907 4.006 366 1HG GLN 60 1HG GLN 60 6.165 -9.549 3.143 367 2HG GLN 60 2HG GLN 60 5.839 -8.218 4.238 368 H SER 61 H SER 61 8.834 -11.628 5.598 369 HA SER 61 HA SER 61 10.684 -10.706 7.622 370 1HB SER 61 1HB SER 61 9.376 -13.389 7.818 371 2HB SER 61 2HB SER 61 10.632 -12.787 8.890 372 HG SER 61 HG SER 61 8.797 -10.952 8.917 373 H LEU 62 H LEU 62 10.078 -13.743 5.907 374 HA LEU 62 HA LEU 62 12.793 -13.520 4.794 375 1HB LEU 62 1HB LEU 62 12.295 -15.312 6.613 376 2HB LEU 62 2HB LEU 62 11.466 -16.152 5.316 377 HG LEU 62 HG LEU 62 13.588 -16.107 4.000 378 H1 MET 101 H1 MET 101 -0.740 -20.798 5.067 379 H2 MET 101 H2 MET 101 -1.353 -21.818 3.868 380 H3 MET 101 H3 MET 101 -0.935 -20.226 3.488 381 HA MET 101 HA MET 101 -3.281 -20.357 3.629 382 1HB MET 101 1HB MET 101 -3.333 -22.377 5.081 383 2HB MET 101 2HB MET 101 -2.871 -21.378 6.449 384 1HG MET 101 1HG MET 101 -5.276 -21.849 6.394 385 2HG MET 101 2HG MET 101 -4.925 -20.126 6.284 386 1HE MET 101 1HE MET 101 -7.418 -19.819 5.602 387 2HE MET 101 2HE MET 101 -8.149 -20.428 4.119 388 3HE MET 101 3HE MET 101 -7.817 -21.531 5.457 389 H LYS 102 H LYS 102 -3.852 -18.320 3.701 390 HA LYS 102 HA LYS 102 -2.566 -16.545 5.631 391 1HB LYS 102 1HB LYS 102 -3.547 -14.728 4.190 392 2HB LYS 102 2HB LYS 102 -2.391 -15.770 3.374 393 1HG LYS 102 1HG LYS 102 -3.883 -16.124 1.790 394 2HG LYS 102 2HG LYS 102 -4.923 -16.924 2.972 395 1HD LYS 102 1HD LYS 102 -5.973 -14.813 3.523 396 2HD LYS 102 2HD LYS 102 -4.869 -13.951 2.449 397 1HE LYS 102 1HE LYS 102 -5.777 -15.219 0.544 398 2HE LYS 102 2HE LYS 102 -6.916 -16.008 1.633 399 1HZ LYS 102 1HZ LYS 102 -6.797 -13.070 1.335 400 2HZ LYS 102 2HZ LYS 102 -7.765 -14.038 0.342 401 3HZ LYS 102 3HZ LYS 102 -8.039 -14.000 2.016 402 HA PRO 103 HA PRO 103 -6.201 -16.163 8.103 403 1HB PRO 103 1HB PRO 103 -5.713 -13.319 8.471 404 2HB PRO 103 2HB PRO 103 -5.631 -14.623 9.652 405 1HG PRO 103 1HG PRO 103 -3.430 -13.329 8.756 406 2HG PRO 103 2HG PRO 103 -3.411 -15.035 9.246 407 1HD PRO 103 1HD PRO 103 -3.473 -13.848 6.497 408 2HD PRO 103 2HD PRO 103 -2.596 -15.278 7.093 409 H VAL 104 H VAL 104 -8.174 -14.754 8.386 410 HA VAL 104 HA VAL 104 -9.378 -14.352 5.831 411 HB VAL 104 HB VAL 104 -10.535 -13.278 8.368 412 H THR 105 H THR 105 -10.089 -12.423 4.914 413 HA THR 105 HA THR 105 -9.195 -9.936 6.150 414 HB THR 105 HB THR 105 -8.204 -9.224 3.882 415 HG1 THR 105 HG1 THR 105 -8.459 -12.004 3.597 416 H LEU 106 H LEU 106 -9.731 -8.071 4.570 417 HA LEU 106 HA LEU 106 -12.566 -8.183 4.238 418 1HB LEU 106 1HB LEU 106 -11.792 -6.022 2.690 419 2HB LEU 106 2HB LEU 106 -12.342 -5.977 4.349 420 HG LEU 106 HG LEU 106 -9.780 -6.392 4.836 421 H TYR 107 H TYR 107 -9.886 -8.861 2.187 422 HA TYR 107 HA TYR 107 -11.136 -8.611 -0.324 423 1HB TYR 107 1HB TYR 107 -8.803 -10.185 0.731 424 2HB TYR 107 2HB TYR 107 -9.351 -10.385 -0.925 425 HD1 TYR 107 HD1 TYR 107 -7.605 -8.245 1.419 426 HD2 TYR 107 HD2 TYR 107 -9.121 -8.542 -2.538 427 HE1 TYR 107 HE1 TYR 107 -6.179 -6.363 0.742 428 HE2 TYR 107 HE2 TYR 107 -7.713 -6.649 -3.228 429 HH TYR 107 HH TYR 107 -6.514 -4.844 -2.382 430 H ASP 108 H ASP 108 -10.889 -11.170 2.041 431 HA ASP 108 HA ASP 108 -12.015 -13.259 0.514 432 1HB ASP 108 1HB ASP 108 -11.588 -12.761 3.470 433 2HB ASP 108 2HB ASP 108 -12.323 -14.243 2.879 434 H VAL 109 H VAL 109 -13.345 -11.297 3.178 435 HA VAL 109 HA VAL 109 -15.915 -12.358 2.757 436 HB VAL 109 HB VAL 109 -16.429 -11.471 4.688 437 H ALA 110 H ALA 110 -14.203 -9.783 1.255 438 HA ALA 110 HA ALA 110 -16.491 -8.476 0.136 439 1HB ALA 110 1HB ALA 110 -13.633 -8.462 -0.835 440 2HB ALA 110 2HB ALA 110 -14.917 -7.375 -1.370 441 3HB ALA 110 3HB ALA 110 -14.347 -7.313 0.300 442 H GLU 111 H GLU 111 -14.398 -11.089 -0.722 443 HA GLU 111 HA GLU 111 -15.309 -11.446 -3.402 444 1HB GLU 111 1HB GLU 111 -13.342 -12.500 -1.665 445 2HB GLU 111 2HB GLU 111 -14.286 -13.856 -2.243 446 1HG GLU 111 1HG GLU 111 -12.847 -11.807 -3.906 447 2HG GLU 111 2HG GLU 111 -12.438 -13.504 -3.721 448 H TYR 112 H TYR 112 -15.953 -12.786 -0.290 449 HA TYR 112 HA TYR 112 -17.818 -14.774 -0.885 450 1HB TYR 112 1HB TYR 112 -16.552 -13.741 1.300 451 2HB TYR 112 2HB TYR 112 -18.198 -13.233 1.561 452 HD1 TYR 112 HD1 TYR 112 -16.409 -16.345 0.522 453 HD2 TYR 112 HD2 TYR 112 -19.470 -14.568 2.867 454 HE1 TYR 112 HE1 TYR 112 -16.933 -18.538 1.493 455 HE2 TYR 112 HE2 TYR 112 -20.005 -16.735 3.838 456 HH TYR 112 HH TYR 112 -19.760 -19.087 3.363 457 H ALA 113 H ALA 113 -18.293 -11.613 0.445 458 HA ALA 113 HA ALA 113 -21.060 -11.493 0.252 459 1HB ALA 113 1HB ALA 113 -19.789 -10.063 1.727 460 2HB ALA 113 2HB ALA 113 -20.836 -9.099 0.683 461 3HB ALA 113 3HB ALA 113 -19.112 -9.212 0.338 462 H GLY 114 H GLY 114 -18.690 -10.997 -2.188 463 1HA GLY 114 1HA GLY 114 -20.774 -10.635 -4.157 464 2HA GLY 114 2HA GLY 114 -19.050 -10.798 -4.475 465 H VAL 115 H VAL 115 -18.072 -8.784 -2.881 466 HA VAL 115 HA VAL 115 -18.960 -6.400 -4.309 467 HB VAL 115 HB VAL 115 -18.727 -5.051 -2.239 468 H SER 116 H SER 116 -17.192 -4.665 -3.028 469 HA SER 116 HA SER 116 -14.600 -5.833 -3.773 470 1HB SER 116 1HB SER 116 -13.839 -3.627 -4.334 471 2HB SER 116 2HB SER 116 -15.405 -3.843 -5.110 472 HG SER 116 HG SER 116 -16.307 -2.466 -3.716 473 H VAL 117 H VAL 117 -12.774 -4.453 -2.564 474 HA VAL 117 HA VAL 117 -13.154 -5.054 0.200 475 HB VAL 117 HB VAL 117 -10.880 -4.246 0.473 476 H ALA 118 H ALA 118 -13.820 -2.457 -1.797 477 HA ALA 118 HA ALA 118 -13.465 -0.359 0.097 478 1HB ALA 118 1HB ALA 118 -15.059 -0.455 -2.462 479 2HB ALA 118 2HB ALA 118 -14.752 0.999 -1.510 480 3HB ALA 118 3HB ALA 118 -13.411 0.144 -2.273 481 H THR 119 H THR 119 -16.114 -2.474 -0.975 482 HA THR 119 HA THR 119 -18.136 -1.133 0.461 483 HB THR 119 HB THR 119 -18.492 -4.004 0.035 484 HG1 THR 119 HG1 THR 119 -18.474 -2.656 -2.374 485 H VAL 120 H VAL 120 -16.179 -3.970 1.096 486 HA VAL 120 HA VAL 120 -17.253 -4.571 3.619 487 HB VAL 120 HB VAL 120 -14.605 -5.286 2.386 488 H SER 121 H SER 121 -14.409 -2.597 2.760 489 HA SER 121 HA SER 121 -13.563 -2.119 5.370 490 1HB SER 121 1HB SER 121 -13.287 -0.408 2.889 491 2HB SER 121 2HB SER 121 -12.442 -0.105 4.410 492 HG SER 121 HG SER 121 -12.160 -2.270 2.624 493 H ARG 122 H ARG 122 -16.142 -0.774 3.421 494 HA ARG 122 HA ARG 122 -16.670 1.473 5.034 495 1HB ARG 122 1HB ARG 122 -18.379 -0.163 3.210 496 2HB ARG 122 2HB ARG 122 -18.989 1.238 4.055 497 1HG ARG 122 1HG ARG 122 -16.570 1.417 2.313 498 2HG ARG 122 2HG ARG 122 -18.197 1.537 1.654 499 1HD ARG 122 1HD ARG 122 -18.616 3.341 3.382 500 2HD ARG 122 2HD ARG 122 -16.882 3.321 3.684 501 HE ARG 122 HE ARG 122 -17.475 3.673 0.920 502 1HH1 ARG 122 1HH1 ARG 122 -17.241 5.313 3.997 503 1HH2 ARG 122 1HH2 ARG 122 -17.166 5.752 -0.027 504 2HH1 ARG 122 2HH1 ARG 122 -17.016 6.884 3.299 505 2HH2 ARG 122 2HH2 ARG 122 -16.983 7.137 1.003 506 H VAL 123 H VAL 123 -18.037 -1.776 4.949 507 HA VAL 123 HA VAL 123 -19.785 -1.395 7.147 508 HB VAL 123 HB VAL 123 -18.635 -3.991 6.146 509 H VAL 124 H VAL 124 -16.534 -2.676 6.809 510 HA VAL 124 HA VAL 124 -16.044 -3.356 9.471 511 HB VAL 124 HB VAL 124 -14.424 -2.645 7.075 512 H ASN 125 H ASN 125 -16.067 -0.392 7.723 513 HA ASN 125 HA ASN 125 -15.125 1.238 9.966 514 1HB ASN 125 1HB ASN 125 -15.632 1.673 7.082 515 2HB ASN 125 2HB ASN 125 -15.933 3.053 8.130 516 1HD2 ASN 125 1HD2 ASN 125 -13.592 0.995 6.705 517 1HD2 ASN 125 1HD2 ASN 125 -12.184 1.869 7.248 518 H GLN 126 H GLN 126 -17.772 -0.288 9.769 519 HA GLN 126 HA GLN 126 -19.595 0.016 11.166 520 1HB GLN 126 1HB GLN 126 -19.116 2.909 10.724 521 2HB GLN 126 2HB GLN 126 -20.652 2.345 11.351 522 1HG GLN 126 1HG GLN 126 -18.354 2.918 12.786 523 2HG GLN 126 2HG GLN 126 -19.807 2.142 13.396 524 H ALA 127 H ALA 127 -19.163 1.396 8.051 525 HA ALA 127 HA ALA 127 -20.195 0.496 6.154 526 1HB ALA 127 1HB ALA 127 -22.717 0.366 7.804 527 2HB ALA 127 2HB ALA 127 -22.592 -0.025 6.090 528 3HB ALA 127 3HB ALA 127 -21.722 -0.996 7.280 529 H SER 128 H SER 128 -22.531 2.506 7.937 530 HA SER 128 HA SER 128 -23.418 4.534 7.496 531 1HB SER 128 1HB SER 128 -20.720 5.054 6.331 532 2HB SER 128 2HB SER 128 -21.874 6.292 6.808 533 HG SER 128 HG SER 128 -21.585 4.700 8.880 534 H HIS 129 H HIS 129 -21.407 4.844 4.641 535 HA HIS 129 HA HIS 129 -23.682 5.337 3.019 536 1HB HIS 129 1HB HIS 129 -20.750 5.198 2.455 537 2HB HIS 129 2HB HIS 129 -21.882 5.131 1.112 538 HD1 HIS 129 HD1 HIS 129 -20.193 7.525 0.998 539 HD2 HIS 129 HD2 HIS 129 -23.651 7.428 3.300 540 HE1 HIS 129 HE1 HIS 129 -20.910 9.918 1.248 541 HE2 HIS 129 HE2 HIS 129 -23.088 9.818 2.504 542 H VAL 130 H VAL 130 -22.498 2.430 4.048 543 HA VAL 130 HA VAL 130 -23.009 0.953 1.646 544 HB VAL 130 HB VAL 130 -21.905 0.350 4.300 545 H SER 131 H SER 131 -24.918 0.029 1.086 546 HA SER 131 HA SER 131 -27.242 0.808 2.393 547 1HB SER 131 1HB SER 131 -27.509 -1.614 0.765 548 2HB SER 131 2HB SER 131 -28.230 -0.016 0.528 549 HG SER 131 HG SER 131 -26.845 0.020 -1.084 550 H ALA 132 H ALA 132 -28.771 -0.409 3.580 551 HA ALA 132 HA ALA 132 -27.840 -1.867 5.710 552 1HB ALA 132 1HB ALA 132 -30.081 -0.809 5.531 553 2HB ALA 132 2HB ALA 132 -30.118 -2.442 6.195 554 3HB ALA 132 3HB ALA 132 -30.592 -2.160 4.520 555 H LYS 133 H LYS 133 -29.255 -3.180 2.716 556 HA LYS 133 HA LYS 133 -29.042 -5.866 3.431 557 1HB LYS 133 1HB LYS 133 -29.882 -4.459 1.176 558 2HB LYS 133 2HB LYS 133 -28.610 -5.540 0.622 559 1HG LYS 133 1HG LYS 133 -30.889 -6.487 2.326 560 2HG LYS 133 2HG LYS 133 -30.968 -6.450 0.567 561 1HD LYS 133 1HD LYS 133 -29.444 -8.147 0.326 562 2HD LYS 133 2HD LYS 133 -28.623 -7.762 1.841 563 1HE LYS 133 1HE LYS 133 -31.425 -8.745 1.964 564 2HE LYS 133 2HE LYS 133 -30.153 -9.901 1.592 565 1HZ LYS 133 1HZ LYS 133 -30.095 -8.111 3.965 566 2HZ LYS 133 2HZ LYS 133 -30.704 -9.690 3.990 567 3HZ LYS 133 3HZ LYS 133 -29.077 -9.425 3.634 568 H THR 134 H THR 134 -26.730 -3.766 1.823 569 HA THR 134 HA THR 134 -24.786 -5.728 1.298 570 HB THR 134 HB THR 134 -24.302 -2.840 1.812 571 HG1 THR 134 HG1 THR 134 -24.405 -2.841 -0.620 572 H ARG 135 H ARG 135 -25.223 -3.494 3.977 573 HA ARG 135 HA ARG 135 -23.017 -4.098 5.490 574 1HB ARG 135 1HB ARG 135 -24.487 -2.362 6.227 575 2HB ARG 135 2HB ARG 135 -25.847 -3.465 6.336 576 1HG ARG 135 1HG ARG 135 -23.484 -3.979 8.061 577 2HG ARG 135 2HG ARG 135 -24.555 -2.658 8.480 578 1HD ARG 135 1HD ARG 135 -26.415 -4.141 8.589 579 2HD ARG 135 2HD ARG 135 -25.445 -5.467 7.983 580 HE ARG 135 HE ARG 135 -24.214 -5.434 10.074 581 1HH1 ARG 135 1HH1 ARG 135 -27.258 -3.692 10.031 582 1HH2 ARG 135 1HH2 ARG 135 -24.470 -5.532 12.301 583 2HH1 ARG 135 2HH1 ARG 135 -27.456 -3.769 11.753 584 2HH2 ARG 135 2HH2 ARG 135 -25.873 -4.830 13.049 585 H GLU 136 H GLU 136 -26.081 -5.762 5.363 586 HA GLU 136 HA GLU 136 -25.425 -7.802 7.226 587 1HB GLU 136 1HB GLU 136 -27.490 -7.712 5.070 588 2HB GLU 136 2HB GLU 136 -27.417 -8.946 6.298 589 1HG GLU 136 1HG GLU 136 -27.893 -7.364 7.982 590 2HG GLU 136 2HG GLU 136 -27.743 -6.036 6.845 591 H LYS 137 H LYS 137 -25.291 -7.447 3.790 592 HA LYS 137 HA LYS 137 -24.706 -9.961 2.857 593 1HB LYS 137 1HB LYS 137 -25.147 -7.968 1.464 594 2HB LYS 137 2HB LYS 137 -23.602 -7.301 1.955 595 1HG LYS 137 1HG LYS 137 -22.709 -9.576 1.003 596 2HG LYS 137 2HG LYS 137 -24.181 -9.463 0.031 597 1HD LYS 137 1HD LYS 137 -22.247 -7.174 0.294 598 2HD LYS 137 2HD LYS 137 -22.051 -8.430 -0.931 599 1HE LYS 137 1HE LYS 137 -24.472 -6.676 -0.593 600 2HE LYS 137 2HE LYS 137 -23.206 -6.442 -1.790 601 1HZ LYS 137 1HZ LYS 137 -23.759 -8.606 -2.732 602 2HZ LYS 137 2HZ LYS 137 -24.998 -8.799 -1.599 603 3HZ LYS 137 3HZ LYS 137 -25.095 -7.569 -2.752 604 H VAL 138 H VAL 138 -22.481 -7.525 3.940 605 HA VAL 138 HA VAL 138 -20.220 -9.264 3.569 606 HB VAL 138 HB VAL 138 -18.847 -7.533 3.586 607 H GLU 139 H GLU 139 -22.105 -8.035 6.312 608 HA GLU 139 HA GLU 139 -20.316 -8.802 8.308 609 1HB GLU 139 1HB GLU 139 -23.294 -8.435 8.210 610 2HB GLU 139 2HB GLU 139 -22.473 -8.931 9.668 611 1HG GLU 139 1HG GLU 139 -21.066 -6.727 8.682 612 2HG GLU 139 2HG GLU 139 -22.780 -6.332 8.561 613 H ALA 140 H ALA 140 -22.868 -10.467 6.595 614 HA ALA 140 HA ALA 140 -22.740 -12.857 8.039 615 1HB ALA 140 1HB ALA 140 -23.507 -12.444 5.154 616 2HB ALA 140 2HB ALA 140 -24.595 -12.352 6.538 617 3HB ALA 140 3HB ALA 140 -23.847 -13.890 6.105 618 H ALA 141 H ALA 141 -21.003 -11.703 5.233 619 HA ALA 141 HA ALA 141 -19.551 -14.035 4.674 620 1HB ALA 141 1HB ALA 141 -19.718 -12.262 3.042 621 2HB ALA 141 2HB ALA 141 -18.021 -12.513 3.452 622 3HB ALA 141 3HB ALA 141 -18.896 -11.141 4.129 623 H MET 142 H MET 142 -18.830 -11.152 6.572 624 HA MET 142 HA MET 142 -16.290 -11.743 7.431 625 1HB MET 142 1HB MET 142 -18.550 -10.316 8.808 626 2HB MET 142 2HB MET 142 -16.945 -10.422 9.494 627 1HG MET 142 1HG MET 142 -16.160 -9.348 7.300 628 2HG MET 142 2HG MET 142 -17.865 -8.930 7.081 629 1HE MET 142 1HE MET 142 -16.416 -6.590 6.875 630 2HE MET 142 2HE MET 142 -18.045 -6.247 7.453 631 3HE MET 142 3HE MET 142 -16.659 -5.471 8.218 632 H ALA 143 H ALA 143 -19.363 -12.668 8.646 633 HA ALA 143 HA ALA 143 -18.615 -13.831 11.083 634 1HB ALA 143 1HB ALA 143 -20.838 -14.786 11.113 635 2HB ALA 143 2HB ALA 143 -21.026 -14.431 9.395 636 3HB ALA 143 3HB ALA 143 -20.890 -13.114 10.558 637 H GLU 144 H GLU 144 -19.321 -15.387 7.971 638 HA GLU 144 HA GLU 144 -19.060 -18.022 8.799 639 1HB GLU 144 1HB GLU 144 -18.388 -16.897 6.125 640 2HB GLU 144 2HB GLU 144 -18.832 -18.553 6.481 641 1HG GLU 144 1HG GLU 144 -20.962 -17.283 7.482 642 2HG GLU 144 2HG GLU 144 -20.478 -16.156 6.220 643 H LEU 145 H LEU 145 -16.733 -15.873 7.352 644 HA LEU 145 HA LEU 145 -14.592 -17.748 7.457 645 1HB LEU 145 1HB LEU 145 -14.267 -14.800 7.093 646 2HB LEU 145 2HB LEU 145 -13.364 -16.110 6.381 647 HG LEU 145 HG LEU 145 -16.232 -15.882 5.642 648 H ASN 146 H ASN 146 -15.887 -15.376 9.569 649 HA ASN 146 HA ASN 146 -15.395 -14.710 11.663 650 1HB ASN 146 1HB ASN 146 -14.738 -17.020 12.148 651 2HB ASN 146 2HB ASN 146 -13.148 -16.678 11.512 652 1HD2 ASN 146 1HD2 ASN 146 -15.382 -15.996 14.053 653 1HD2 ASN 146 1HD2 ASN 146 -14.203 -15.483 15.203 654 H TYR 147 H TYR 147 -14.987 -12.971 10.080 655 HA TYR 147 HA TYR 147 -12.332 -12.187 9.478 656 1HB TYR 147 1HB TYR 147 -14.327 -11.548 8.112 657 2HB TYR 147 2HB TYR 147 -14.804 -10.464 9.416 658 HD1 TYR 147 HD1 TYR 147 -14.657 -8.427 8.062 659 HD2 TYR 147 HD2 TYR 147 -11.280 -10.976 8.528 660 HE1 TYR 147 HE1 TYR 147 -13.200 -6.669 7.170 661 HE2 TYR 147 HE2 TYR 147 -9.827 -9.213 7.668 662 HH TYR 147 HH TYR 147 -10.700 -6.067 7.373 663 H ILE 148 H ILE 148 -10.953 -10.995 10.460 664 HA ILE 148 HA ILE 148 -11.747 -9.151 12.572 665 HB ILE 148 HB ILE 148 -9.516 -11.181 12.824 666 HA PRO 149 HA PRO 149 -9.091 -6.854 9.822 667 1HB PRO 149 1HB PRO 149 -9.453 -4.426 10.949 668 2HB PRO 149 2HB PRO 149 -10.689 -5.202 9.952 669 1HG PRO 149 1HG PRO 149 -10.518 -4.948 12.905 670 2HG PRO 149 2HG PRO 149 -11.938 -4.916 11.848 671 1HD PRO 149 1HD PRO 149 -11.102 -7.096 13.348 672 2HD PRO 149 2HD PRO 149 -12.191 -7.180 11.953 673 H ASN 150 H ASN 150 -7.195 -5.233 10.085 674 HA ASN 150 HA ASN 150 -5.631 -6.048 12.399 675 1HB ASN 150 1HB ASN 150 -5.072 -5.623 9.524 676 2HB ASN 150 2HB ASN 150 -3.870 -4.943 10.627 677 1HD2 ASN 150 1HD2 ASN 150 -4.010 -7.275 8.724 678 1HD2 ASN 150 1HD2 ASN 150 -3.403 -8.601 9.662 679 H ARG 151 H ARG 151 -5.183 -4.525 13.825 680 HA ARG 151 HA ARG 151 -6.374 -2.031 13.839 681 1HB ARG 151 1HB ARG 151 -5.294 -3.462 15.726 682 2HB ARG 151 2HB ARG 151 -3.881 -2.486 15.375 683 1HG ARG 151 1HG ARG 151 -5.062 -1.487 17.183 684 2HG ARG 151 2HG ARG 151 -5.240 -0.455 15.771 685 1HD ARG 151 1HD ARG 151 -7.395 -2.103 15.558 686 2HD ARG 151 2HD ARG 151 -7.235 -1.923 17.298 687 HE ARG 151 HE ARG 151 -7.043 0.620 16.340 688 1HH1 ARG 151 1HH1 ARG 151 -9.414 -1.947 16.066 689 1HH2 ARG 151 1HH2 ARG 151 -8.818 2.054 16.131 690 2HH1 ARG 151 2HH1 ARG 151 -10.759 -0.859 15.914 691 2HH2 ARG 151 2HH2 ARG 151 -10.419 1.410 15.947 692 H CYS 152 H CYS 152 -3.254 -2.870 12.490 693 HA CYS 152 HA CYS 152 -2.364 -0.104 12.437 694 1HB CYS 152 1HB CYS 152 -0.980 -2.389 12.581 695 2HB CYS 152 2HB CYS 152 -1.017 -2.181 10.833 696 H ALA 153 H ALA 153 -3.158 -2.557 10.026 697 HA ALA 153 HA ALA 153 -3.000 -0.992 7.780 698 1HB ALA 153 1HB ALA 153 -5.089 -3.108 8.306 699 2HB ALA 153 2HB ALA 153 -4.610 -2.494 6.725 700 3HB ALA 153 3HB ALA 153 -3.458 -3.401 7.705 701 H GLN 154 H GLN 154 -5.625 -1.209 10.111 702 HA GLN 154 HA GLN 154 -7.455 0.468 8.769 703 1HB GLN 154 1HB GLN 154 -7.105 -0.257 11.677 704 2HB GLN 154 2HB GLN 154 -8.468 0.652 11.048 705 1HG GLN 154 1HG GLN 154 -8.717 -1.385 9.442 706 2HG GLN 154 2HG GLN 154 -7.792 -2.215 10.686 707 H GLN 155 H GLN 155 -5.072 0.992 11.325 708 HA GLN 155 HA GLN 155 -5.511 3.725 11.712 709 1HB GLN 155 1HB GLN 155 -3.154 1.950 12.190 710 2HB GLN 155 2HB GLN 155 -3.044 3.672 12.488 711 1HG GLN 155 1HG GLN 155 -4.288 1.580 14.046 712 2HG GLN 155 2HG GLN 155 -3.776 3.195 14.536 713 H LEU 156 H LEU 156 -3.158 2.085 9.629 714 HA LEU 156 HA LEU 156 -2.013 4.388 8.522 715 1HB LEU 156 1HB LEU 156 -1.283 1.919 8.465 716 2HB LEU 156 2HB LEU 156 -2.336 1.787 7.065 717 HG LEU 156 HG LEU 156 -0.999 3.382 5.843 718 H ALA 157 H ALA 157 -4.271 2.188 6.982 719 HA ALA 157 HA ALA 157 -4.937 3.759 4.796 720 1HB ALA 157 1HB ALA 157 -6.908 1.925 6.127 721 2HB ALA 157 2HB ALA 157 -6.795 2.344 4.417 722 3HB ALA 157 3HB ALA 157 -5.547 1.350 5.169 723 H GLY 158 H GLY 158 -6.238 3.890 8.038 724 1HA GLY 158 1HA GLY 158 -7.878 5.190 8.983 725 2HA GLY 158 2HA GLY 158 -8.417 5.631 7.376 726 H LYS 159 H LYS 159 -5.396 6.339 7.032 727 HA LYS 159 HA LYS 159 -4.895 8.603 8.619 728 1HB LYS 159 1HB LYS 159 -3.532 7.091 6.758 729 2HB LYS 159 2HB LYS 159 -3.740 8.628 5.958 730 1HG LYS 159 1HG LYS 159 -2.336 8.107 8.542 731 2HG LYS 159 2HG LYS 159 -1.636 8.657 7.047 732 1HD LYS 159 1HD LYS 159 -3.770 10.351 8.135 733 2HD LYS 159 2HD LYS 159 -2.294 10.265 9.107 734 1HE LYS 159 1HE LYS 159 -1.240 11.580 7.679 735 2HE LYS 159 2HE LYS 159 -1.597 10.431 6.391 736 1HZ LYS 159 1HZ LYS 159 -3.432 12.588 7.286 737 2HZ LYS 159 2HZ LYS 159 -2.437 12.679 5.921 738 3HZ LYS 159 3HZ LYS 159 -3.682 11.537 5.985 739 H GLN 160 H GLN 160 -6.729 8.049 5.729 740 HA GLN 160 HA GLN 160 -6.912 10.786 4.957 741 1HB GLN 160 1HB GLN 160 -8.544 8.438 4.101 742 2HB GLN 160 2HB GLN 160 -8.506 9.987 3.322 743 1HG GLN 160 1HG GLN 160 -6.379 9.665 2.501 744 2HG GLN 160 2HG GLN 160 -6.047 8.371 3.633 745 H SER 161 H SER 161 -9.136 11.801 4.730 746 HA SER 161 HA SER 161 -11.065 10.967 6.708 747 1HB SER 161 1HB SER 161 -9.784 13.670 6.925 748 2HB SER 161 2HB SER 161 -11.071 13.057 7.951 749 HG SER 161 HG SER 161 -9.158 11.275 8.066 750 H LEU 162 H LEU 162 -10.365 14.013 5.072 751 HA LEU 162 HA LEU 162 -12.988 13.779 3.751 752 1HB LEU 162 1HB LEU 162 -12.458 15.622 5.606 753 2HB LEU 162 2HB LEU 162 -11.776 16.453 4.220 754 HG LEU 162 HG LEU 162 -13.993 16.171 3.070 No H/Q in entry = 754 Start of MODEL 5 1 H1 MET 1 H1 MET 1 -1.998 17.421 3.873 2 H2 MET 1 H2 MET 1 -2.069 18.439 2.527 3 H3 MET 1 H3 MET 1 -1.811 16.779 2.317 4 HA MET 1 HA MET 1 0.251 17.834 2.012 5 1HB MET 1 1HB MET 1 -0.656 19.842 3.470 6 2HB MET 1 2HB MET 1 0.176 19.000 4.768 7 1HG MET 1 1HG MET 1 1.518 19.765 2.193 8 2HG MET 1 2HG MET 1 1.462 20.824 3.598 9 1HE MET 1 1HE MET 1 2.708 20.420 5.823 10 2HE MET 1 2HE MET 1 1.855 18.898 6.086 11 3HE MET 1 3HE MET 1 3.610 18.957 6.219 12 H LYS 2 H LYS 2 1.566 16.122 2.179 13 HA LYS 2 HA LYS 2 1.409 14.476 4.586 14 1HB LYS 2 1HB LYS 2 2.402 12.720 3.349 15 2HB LYS 2 2HB LYS 2 1.273 13.487 2.242 16 1HG LYS 2 1HG LYS 2 2.892 14.059 0.813 17 2HG LYS 2 2HG LYS 2 3.963 14.609 2.102 18 1HD LYS 2 1HD LYS 2 4.388 12.155 2.598 19 2HD LYS 2 2HD LYS 2 3.571 11.806 1.077 20 1HE LYS 2 1HE LYS 2 5.995 11.859 0.795 21 2HE LYS 2 2HE LYS 2 5.214 13.143 -0.127 22 1HZ LYS 2 1HZ LYS 2 6.126 13.787 2.576 23 2HZ LYS 2 2HZ LYS 2 7.316 13.586 1.384 24 3HZ LYS 2 3HZ LYS 2 6.101 14.750 1.184 25 HA PRO 3 HA PRO 3 5.191 16.140 6.247 26 1HB PRO 3 1HB PRO 3 5.543 13.531 7.538 27 2HB PRO 3 2HB PRO 3 5.337 15.119 8.271 28 1HG PRO 3 1HG PRO 3 3.404 13.277 8.368 29 2HG PRO 3 2HG PRO 3 3.036 15.006 8.191 30 1HD PRO 3 1HD PRO 3 3.072 12.849 6.105 31 2HD PRO 3 2HD PRO 3 1.907 14.171 6.345 32 H VAL 4 H VAL 4 7.514 15.126 6.773 33 HA VAL 4 HA VAL 4 8.688 14.429 4.301 34 HB VAL 4 HB VAL 4 9.974 13.794 6.928 35 H THR 5 H THR 5 9.668 12.422 3.673 36 HA THR 5 HA THR 5 8.903 10.071 5.230 37 HB THR 5 HB THR 5 7.894 9.039 3.088 38 HG1 THR 5 HG1 THR 5 8.159 11.721 2.385 39 H LEU 6 H LEU 6 9.367 8.114 3.544 40 HA LEU 6 HA LEU 6 12.245 8.252 3.305 41 1HB LEU 6 1HB LEU 6 11.393 5.938 1.946 42 2HB LEU 6 2HB LEU 6 12.153 6.052 3.516 43 HG LEU 6 HG LEU 6 9.662 6.480 4.293 44 H TYR 7 H TYR 7 9.546 8.771 1.249 45 HA TYR 7 HA TYR 7 10.782 8.281 -1.239 46 1HB TYR 7 1HB TYR 7 8.435 9.941 -0.347 47 2HB TYR 7 2HB TYR 7 8.986 9.972 -2.014 48 HD1 TYR 7 HD1 TYR 7 7.492 7.879 0.613 49 HD2 TYR 7 HD2 TYR 7 8.516 8.163 -3.505 50 HE1 TYR 7 HE1 TYR 7 6.091 5.922 0.133 51 HE2 TYR 7 HE2 TYR 7 7.126 6.193 -3.996 52 HH TYR 7 HH TYR 7 6.054 4.389 -3.012 53 H ASP 8 H ASP 8 10.521 11.039 0.886 54 HA ASP 8 HA ASP 8 11.575 12.992 -0.810 55 1HB ASP 8 1HB ASP 8 11.286 12.718 2.194 56 2HB ASP 8 2HB ASP 8 11.847 14.196 1.431 57 H VAL 9 H VAL 9 13.012 11.321 1.976 58 HA VAL 9 HA VAL 9 15.568 12.329 1.395 59 HB VAL 9 HB VAL 9 16.113 11.598 3.386 60 H ALA 10 H ALA 10 13.837 9.630 0.156 61 HA ALA 10 HA ALA 10 16.137 8.244 -0.873 62 1HB ALA 10 1HB ALA 10 13.275 8.060 -1.808 63 2HB ALA 10 2HB ALA 10 14.576 6.929 -2.177 64 3HB ALA 10 3HB ALA 10 13.986 7.082 -0.521 65 H GLU 11 H GLU 11 13.934 10.699 -1.905 66 HA GLU 11 HA GLU 11 14.668 10.874 -4.640 67 1HB GLU 11 1HB GLU 11 12.851 12.079 -2.860 68 2HB GLU 11 2HB GLU 11 13.848 13.389 -3.455 69 1HG GLU 11 1HG GLU 11 12.838 11.513 -5.484 70 2HG GLU 11 2HG GLU 11 11.639 12.523 -4.687 71 H TYR 12 H TYR 12 15.534 12.471 -1.712 72 HA TYR 12 HA TYR 12 17.425 14.326 -2.605 73 1HB TYR 12 1HB TYR 12 16.187 13.672 -0.290 74 2HB TYR 12 2HB TYR 12 17.791 13.074 0.016 75 HD1 TYR 12 HD1 TYR 12 16.449 16.170 -1.601 76 HD2 TYR 12 HD2 TYR 12 18.972 14.435 1.327 77 HE1 TYR 12 HE1 TYR 12 17.192 18.411 -0.923 78 HE2 TYR 12 HE2 TYR 12 19.714 16.643 2.023 79 HH TYR 12 HH TYR 12 19.783 18.838 1.424 80 H ALA 13 H ALA 13 17.891 11.343 -0.887 81 HA ALA 13 HA ALA 13 20.637 11.142 -1.095 82 1HB ALA 13 1HB ALA 13 18.582 8.985 -0.733 83 2HB ALA 13 2HB ALA 13 19.496 9.833 0.517 84 3HB ALA 13 3HB ALA 13 20.316 8.718 -0.574 85 H GLY 14 H GLY 14 18.244 10.426 -3.456 86 1HA GLY 14 1HA GLY 14 20.310 9.891 -5.412 87 2HA GLY 14 2HA GLY 14 18.585 10.061 -5.727 88 H VAL 15 H VAL 15 17.612 8.197 -3.923 89 HA VAL 15 HA VAL 15 18.436 5.680 -5.145 90 HB VAL 15 HB VAL 15 18.274 4.526 -2.952 91 H SER 16 H SER 16 16.666 4.124 -3.565 92 HA SER 16 HA SER 16 14.078 5.297 -4.340 93 1HB SER 16 1HB SER 16 13.255 3.090 -4.780 94 2HB SER 16 2HB SER 16 14.808 3.215 -5.597 95 HG SER 16 HG SER 16 15.543 1.683 -4.374 96 H VAL 17 H VAL 17 12.288 3.939 -2.977 97 HA VAL 17 HA VAL 17 12.804 4.738 -0.278 98 HB VAL 17 HB VAL 17 10.547 4.010 0.188 99 H ALA 18 H ALA 18 13.367 2.037 -2.140 100 HA ALA 18 HA ALA 18 13.077 0.033 -0.141 101 1HB ALA 18 1HB ALA 18 14.526 0.051 -2.781 102 2HB ALA 18 2HB ALA 18 14.393 -1.365 -1.736 103 3HB ALA 18 3HB ALA 18 12.943 -0.639 -2.427 104 H THR 19 H THR 19 15.701 2.124 -1.348 105 HA THR 19 HA THR 19 17.740 0.806 0.104 106 HB THR 19 HB THR 19 18.177 3.631 -0.432 107 HG1 THR 19 HG1 THR 19 17.888 2.151 -2.785 108 H VAL 20 H VAL 20 15.853 3.703 0.577 109 HA VAL 20 HA VAL 20 16.917 4.487 3.041 110 HB VAL 20 HB VAL 20 14.200 5.020 1.850 111 H SER 21 H SER 21 14.122 2.400 2.329 112 HA SER 21 HA SER 21 13.257 2.032 4.938 113 1HB SER 21 1HB SER 21 11.916 1.273 3.066 114 2HB SER 21 2HB SER 21 13.175 0.140 2.577 115 HG SER 21 HG SER 21 11.510 0.053 4.861 116 H ARG 22 H ARG 22 15.922 0.586 3.126 117 HA ARG 22 HA ARG 22 16.454 -1.470 4.986 118 1HB ARG 22 1HB ARG 22 18.417 -0.053 3.214 119 2HB ARG 22 2HB ARG 22 18.633 -1.606 3.978 120 1HG ARG 22 1HG ARG 22 16.578 -0.999 1.885 121 2HG ARG 22 2HG ARG 22 18.119 -1.797 1.603 122 1HD ARG 22 1HD ARG 22 17.377 -3.518 3.320 123 2HD ARG 22 2HD ARG 22 15.775 -2.790 3.203 124 HE ARG 22 HE ARG 22 16.464 -3.338 0.621 125 1HH1 ARG 22 1HH1 ARG 22 16.182 -5.206 3.554 126 1HH2 ARG 22 1HH2 ARG 22 15.971 -5.298 -0.476 127 2HH1 ARG 22 2HH1 ARG 22 15.808 -6.687 2.737 128 2HH2 ARG 22 2HH2 ARG 22 15.710 -6.743 0.445 129 H VAL 23 H VAL 23 17.825 1.748 4.506 130 HA VAL 23 HA VAL 23 19.571 1.683 6.717 131 HB VAL 23 HB VAL 23 18.316 4.136 5.507 132 H VAL 24 H VAL 24 16.264 2.801 6.319 133 HA VAL 24 HA VAL 24 15.754 3.712 8.903 134 HB VAL 24 HB VAL 24 14.097 2.613 6.656 135 H ASN 25 H ASN 25 15.770 0.554 7.471 136 HA ASN 25 HA ASN 25 14.984 -0.828 9.924 137 1HB ASN 25 1HB ASN 25 15.478 -1.616 7.084 138 2HB ASN 25 2HB ASN 25 15.663 -2.849 8.322 139 1HD2 ASN 25 1HD2 ASN 25 13.499 -0.958 6.483 140 1HD2 ASN 25 1HD2 ASN 25 12.030 -1.653 7.104 141 H GLN 26 H GLN 26 17.650 0.668 9.246 142 HA GLN 26 HA GLN 26 19.616 0.639 10.452 143 1HB GLN 26 1HB GLN 26 18.867 -2.169 10.909 144 2HB GLN 26 2HB GLN 26 20.569 -1.753 11.011 145 1HG GLN 26 1HG GLN 26 19.033 -1.676 13.107 146 2HG GLN 26 2HG GLN 26 20.288 -0.472 12.880 147 H ALA 27 H ALA 27 18.915 -1.744 8.040 148 HA ALA 27 HA ALA 27 19.875 -2.442 6.142 149 1HB ALA 27 1HB ALA 27 19.828 0.106 5.877 150 2HB ALA 27 2HB ALA 27 21.581 -0.019 6.039 151 3HB ALA 27 3HB ALA 27 20.743 -0.884 4.749 152 H SER 28 H SER 28 21.178 -4.167 6.244 153 HA SER 28 HA SER 28 23.870 -3.798 7.217 154 1HB SER 28 1HB SER 28 22.230 -6.221 6.607 155 2HB SER 28 2HB SER 28 23.888 -6.290 7.194 156 HG SER 28 HG SER 28 23.003 -4.956 9.010 157 H HIS 29 H HIS 29 21.978 -4.841 4.468 158 HA HIS 29 HA HIS 29 24.239 -5.401 2.823 159 1HB HIS 29 1HB HIS 29 21.302 -5.431 2.439 160 2HB HIS 29 2HB HIS 29 22.292 -5.238 0.997 161 HD1 HIS 29 HD1 HIS 29 21.184 -7.644 0.424 162 HD2 HIS 29 HD2 HIS 29 23.992 -7.566 3.487 163 HE1 HIS 29 HE1 HIS 29 21.966 -10.018 0.689 164 HE2 HIS 29 HE2 HIS 29 23.510 -9.974 2.672 165 H VAL 30 H VAL 30 22.704 -2.506 3.638 166 HA VAL 30 HA VAL 30 23.087 -1.047 1.254 167 HB VAL 30 HB VAL 30 22.337 -0.440 4.047 168 H SER 31 H SER 31 24.947 -0.236 0.461 169 HA SER 31 HA SER 31 27.370 -0.764 1.674 170 1HB SER 31 1HB SER 31 27.913 1.351 -0.024 171 2HB SER 31 2HB SER 31 27.817 -0.342 -0.520 172 HG SER 31 HG SER 31 26.405 0.696 -1.830 173 H ALA 32 H ALA 32 28.807 0.539 2.831 174 HA ALA 32 HA ALA 32 27.890 2.148 4.824 175 1HB ALA 32 1HB ALA 32 30.135 2.848 5.229 176 2HB ALA 32 2HB ALA 32 30.597 2.518 3.560 177 3HB ALA 32 3HB ALA 32 30.180 1.186 4.639 178 H LYS 33 H LYS 33 29.061 3.280 1.671 179 HA LYS 33 HA LYS 33 28.809 6.014 2.157 180 1HB LYS 33 1HB LYS 33 29.478 4.387 -0.023 181 2HB LYS 33 2HB LYS 33 28.167 5.428 -0.562 182 1HG LYS 33 1HG LYS 33 30.592 6.491 0.853 183 2HG LYS 33 2HG LYS 33 30.517 6.300 -0.894 184 1HD LYS 33 1HD LYS 33 29.234 8.117 -1.147 185 2HD LYS 33 2HD LYS 33 28.196 7.673 0.210 186 1HE LYS 33 1HE LYS 33 30.911 8.586 0.907 187 2HE LYS 33 2HE LYS 33 29.848 9.806 0.209 188 1HZ LYS 33 1HZ LYS 33 28.188 9.180 1.925 189 2HZ LYS 33 2HZ LYS 33 29.345 8.179 2.652 190 3HZ LYS 33 3HZ LYS 33 29.603 9.852 2.562 191 H THR 34 H THR 34 26.427 3.690 0.988 192 HA THR 34 HA THR 34 24.381 5.621 0.507 193 HB THR 34 HB THR 34 24.173 2.656 0.790 194 HG1 THR 34 HG1 THR 34 24.747 2.503 -1.267 195 H ARG 35 H ARG 35 25.642 4.470 3.221 196 HA ARG 35 HA ARG 35 23.220 3.842 4.698 197 1HB ARG 35 1HB ARG 35 25.156 2.428 5.201 198 2HB ARG 35 2HB ARG 35 26.130 3.842 5.561 199 1HG ARG 35 1HG ARG 35 23.639 3.451 7.114 200 2HG ARG 35 2HG ARG 35 24.998 2.396 7.460 201 1HD ARG 35 1HD ARG 35 26.352 4.557 7.584 202 2HD ARG 35 2HD ARG 35 24.793 5.353 7.715 203 HE ARG 35 HE ARG 35 25.596 3.227 9.594 204 1HH1 ARG 35 1HH1 ARG 35 24.491 6.496 9.001 205 1HH2 ARG 35 1HH2 ARG 35 25.105 3.631 11.778 206 2HH1 ARG 35 2HH1 ARG 35 24.113 6.808 10.664 207 2HH2 ARG 35 2HH2 ARG 35 24.468 5.175 12.245 208 H GLU 36 H GLU 36 25.860 6.039 4.381 209 HA GLU 36 HA GLU 36 24.879 7.947 6.299 210 1HB GLU 36 1HB GLU 36 27.046 8.344 4.287 211 2HB GLU 36 2HB GLU 36 26.803 9.244 5.756 212 1HG GLU 36 1HG GLU 36 27.765 7.672 7.034 213 2HG GLU 36 2HG GLU 36 27.246 6.351 5.996 214 H LYS 37 H LYS 37 24.812 7.331 2.910 215 HA LYS 37 HA LYS 37 24.242 9.775 1.772 216 1HB LYS 37 1HB LYS 37 24.709 7.720 0.508 217 2HB LYS 37 2HB LYS 37 23.166 7.056 1.030 218 1HG LYS 37 1HG LYS 37 22.213 9.222 -0.054 219 2HG LYS 37 2HG LYS 37 23.726 9.179 -0.968 220 1HD LYS 37 1HD LYS 37 21.895 6.798 -0.757 221 2HD LYS 37 2HD LYS 37 21.704 8.027 -2.006 222 1HE LYS 37 1HE LYS 37 24.084 6.244 -1.552 223 2HE LYS 37 2HE LYS 37 22.956 6.192 -2.898 224 1HZ LYS 37 1HZ LYS 37 23.714 8.522 -3.408 225 2HZ LYS 37 2HZ LYS 37 24.978 8.269 -2.314 226 3HZ LYS 37 3HZ LYS 37 24.844 7.298 -3.689 227 H VAL 38 H VAL 38 21.996 7.430 3.018 228 HA VAL 38 HA VAL 38 19.767 9.157 2.447 229 HB VAL 38 HB VAL 38 18.372 7.463 2.668 230 H GLU 39 H GLU 39 21.603 8.192 5.302 231 HA GLU 39 HA GLU 39 19.832 9.191 7.213 232 1HB GLU 39 1HB GLU 39 22.789 8.697 7.139 233 2HB GLU 39 2HB GLU 39 21.991 9.326 8.561 234 1HG GLU 39 1HG GLU 39 20.526 7.084 7.664 235 2HG GLU 39 2HG GLU 39 22.232 6.648 7.703 236 H ALA 40 H ALA 40 22.473 10.600 5.387 237 HA ALA 40 HA ALA 40 22.444 13.114 6.588 238 1HB ALA 40 1HB ALA 40 24.240 12.326 5.088 239 2HB ALA 40 2HB ALA 40 23.134 12.465 3.724 240 3HB ALA 40 3HB ALA 40 23.620 13.906 4.617 241 H ALA 41 H ALA 41 20.687 11.781 3.892 242 HA ALA 41 HA ALA 41 19.332 14.092 3.087 243 1HB ALA 41 1HB ALA 41 18.559 11.188 2.835 244 2HB ALA 41 2HB ALA 41 17.739 12.514 2.016 245 3HB ALA 41 3HB ALA 41 19.425 12.156 1.643 246 H MET 42 H MET 42 18.485 11.450 5.281 247 HA MET 42 HA MET 42 15.933 12.149 6.002 248 1HB MET 42 1HB MET 42 18.149 10.901 7.599 249 2HB MET 42 2HB MET 42 16.524 11.096 8.218 250 1HG MET 42 1HG MET 42 15.658 9.664 6.472 251 2HG MET 42 2HG MET 42 17.279 9.512 5.780 252 1HE MET 42 1HE MET 42 15.406 7.110 6.531 253 2HE MET 42 2HE MET 42 17.035 6.721 5.983 254 3HE MET 42 3HE MET 42 16.406 5.995 7.462 255 H ALA 43 H ALA 43 18.922 13.448 6.999 256 HA ALA 43 HA ALA 43 18.016 14.796 9.327 257 1HB ALA 43 1HB ALA 43 20.213 15.893 9.303 258 2HB ALA 43 2HB ALA 43 20.324 14.142 9.123 259 3HB ALA 43 3HB ALA 43 20.521 15.186 7.716 260 H GLU 44 H GLU 44 18.571 15.856 6.009 261 HA GLU 44 HA GLU 44 18.273 18.562 6.510 262 1HB GLU 44 1HB GLU 44 17.736 17.143 3.958 263 2HB GLU 44 2HB GLU 44 18.131 18.842 4.160 264 1HG GLU 44 1HG GLU 44 20.144 17.447 5.464 265 2HG GLU 44 2HG GLU 44 19.840 16.584 3.970 266 H LEU 45 H LEU 45 15.952 16.370 4.981 267 HA LEU 45 HA LEU 45 13.921 18.340 5.077 268 1HB LEU 45 1HB LEU 45 12.480 16.204 4.721 269 2HB LEU 45 2HB LEU 45 13.364 16.948 3.436 270 HG LEU 45 HG LEU 45 13.279 14.396 3.680 271 H ASN 46 H ASN 46 15.036 15.981 7.247 272 HA ASN 46 HA ASN 46 14.633 15.655 9.454 273 1HB ASN 46 1HB ASN 46 13.827 17.922 9.744 274 2HB ASN 46 2HB ASN 46 12.287 17.463 9.064 275 1HD2 ASN 46 1HD2 ASN 46 14.378 17.241 11.784 276 1HD2 ASN 46 1HD2 ASN 46 13.175 16.724 12.907 277 H TYR 47 H TYR 47 14.420 13.642 8.377 278 HA TYR 47 HA TYR 47 11.816 12.619 7.767 279 1HB TYR 47 1HB TYR 47 13.712 11.836 6.475 280 2HB TYR 47 2HB TYR 47 14.529 11.310 7.939 281 HD1 TYR 47 HD1 TYR 47 11.260 10.745 6.217 282 HD2 TYR 47 HD2 TYR 47 14.452 9.056 8.461 283 HE1 TYR 47 HE1 TYR 47 10.205 8.536 6.059 284 HE2 TYR 47 HE2 TYR 47 13.403 6.852 8.305 285 HH TYR 47 HH TYR 47 10.688 6.254 6.253 286 H ILE 48 H ILE 48 10.547 11.387 8.938 287 HA ILE 48 HA ILE 48 11.528 9.943 11.256 288 HB ILE 48 HB ILE 48 9.272 11.960 11.343 289 HA PRO 49 HA PRO 49 8.888 7.162 8.993 290 1HB PRO 49 1HB PRO 49 9.370 4.940 10.457 291 2HB PRO 49 2HB PRO 49 10.526 5.589 9.287 292 1HG PRO 49 1HG PRO 49 10.561 5.701 12.243 293 2HG PRO 49 2HG PRO 49 11.908 5.676 11.095 294 1HD PRO 49 1HD PRO 49 10.883 7.931 12.428 295 2HD PRO 49 2HD PRO 49 12.011 7.952 11.061 296 H ASN 50 H ASN 50 7.081 5.512 9.585 297 HA ASN 50 HA ASN 50 5.590 6.626 11.829 298 1HB ASN 50 1HB ASN 50 4.885 5.968 9.054 299 2HB ASN 50 2HB ASN 50 3.780 5.278 10.241 300 1HD2 ASN 50 1HD2 ASN 50 4.860 8.071 8.664 301 1HD2 ASN 50 1HD2 ASN 50 3.712 9.153 9.372 302 H ARG 51 H ARG 51 5.156 5.286 13.429 303 HA ARG 51 HA ARG 51 6.341 2.795 13.665 304 1HB ARG 51 1HB ARG 51 5.320 4.468 15.419 305 2HB ARG 51 2HB ARG 51 3.926 3.419 15.254 306 1HG ARG 51 1HG ARG 51 5.367 2.795 17.135 307 2HG ARG 51 2HG ARG 51 5.198 1.506 15.941 308 1HD ARG 51 1HD ARG 51 7.439 3.198 15.293 309 2HD ARG 51 2HD ARG 51 7.574 2.597 16.945 310 HE ARG 51 HE ARG 51 6.867 0.456 15.281 311 1HH1 ARG 51 1HH1 ARG 51 9.573 2.598 15.853 312 1HH2 ARG 51 1HH2 ARG 51 8.427 -1.074 14.604 313 2HH1 ARG 51 2HH1 ARG 51 10.763 1.447 15.330 314 2HH2 ARG 51 2HH2 ARG 51 10.109 -0.647 14.632 315 H CYS 52 H CYS 52 3.187 3.587 12.375 316 HA CYS 52 HA CYS 52 2.226 0.865 12.596 317 1HB CYS 52 1HB CYS 52 0.968 3.252 12.491 318 2HB CYS 52 2HB CYS 52 0.895 2.773 10.800 319 H ALA 53 H ALA 53 3.094 3.066 9.998 320 HA ALA 53 HA ALA 53 2.901 1.377 7.858 321 1HB ALA 53 1HB ALA 53 3.498 3.754 7.687 322 2HB ALA 53 2HB ALA 53 5.105 3.389 8.317 323 3HB ALA 53 3HB ALA 53 4.600 2.736 6.761 324 H GLN 54 H GLN 54 5.495 1.620 10.210 325 HA GLN 54 HA GLN 54 7.270 -0.219 9.020 326 1HB GLN 54 1HB GLN 54 6.904 0.786 11.836 327 2HB GLN 54 2HB GLN 54 8.217 -0.280 11.359 328 1HG GLN 54 1HG GLN 54 8.583 1.597 9.534 329 2HG GLN 54 2HG GLN 54 7.757 2.582 10.731 330 H GLN 55 H GLN 55 4.859 -0.449 11.578 331 HA GLN 55 HA GLN 55 5.285 -3.158 12.167 332 1HB GLN 55 1HB GLN 55 2.862 -1.454 12.608 333 2HB GLN 55 2HB GLN 55 2.996 -3.092 13.181 334 1HG GLN 55 1HG GLN 55 4.226 -0.622 14.191 335 2HG GLN 55 2HG GLN 55 3.640 -2.035 15.058 336 H LEU 56 H LEU 56 2.922 -1.615 10.050 337 HA LEU 56 HA LEU 56 1.624 -3.932 9.194 338 1HB LEU 56 1HB LEU 56 1.094 -1.434 8.837 339 2HB LEU 56 2HB LEU 56 2.143 -1.557 7.434 340 HG LEU 56 HG LEU 56 0.673 -3.285 6.490 341 H ALA 57 H ALA 57 3.971 -2.072 7.415 342 HA ALA 57 HA ALA 57 4.534 -3.857 5.398 343 1HB ALA 57 1HB ALA 57 5.292 -1.511 5.438 344 2HB ALA 57 2HB ALA 57 6.563 -1.967 6.573 345 3HB ALA 57 3HB ALA 57 6.553 -2.634 4.941 346 H GLY 58 H GLY 58 5.759 -3.946 8.646 347 1HA GLY 58 1HA GLY 58 7.425 -5.276 9.599 348 2HA GLY 58 2HA GLY 58 7.759 -5.941 8.007 349 H LYS 59 H LYS 59 4.482 -5.984 8.545 350 HA LYS 59 HA LYS 59 4.501 -8.614 9.796 351 1HB LYS 59 1HB LYS 59 3.088 -6.713 10.712 352 2HB LYS 59 2HB LYS 59 2.099 -6.919 9.282 353 1HG LYS 59 1HG LYS 59 2.052 -9.419 10.074 354 2HG LYS 59 2HG LYS 59 2.403 -8.691 11.644 355 1HD LYS 59 1HD LYS 59 0.047 -8.855 11.506 356 2HD LYS 59 2HD LYS 59 0.427 -7.157 11.195 357 1HE LYS 59 1HE LYS 59 -1.255 -8.022 9.627 358 2HE LYS 59 2HE LYS 59 0.225 -7.527 8.811 359 1HZ LYS 59 1HZ LYS 59 0.161 -10.301 9.585 360 2HZ LYS 59 2HZ LYS 59 -1.006 -9.875 8.434 361 3HZ LYS 59 3HZ LYS 59 0.635 -9.592 8.124 362 H GLN 60 H GLN 60 5.415 -8.827 7.322 363 HA GLN 60 HA GLN 60 3.475 -9.096 5.311 364 1HB GLN 60 1HB GLN 60 6.231 -10.190 5.592 365 2HB GLN 60 2HB GLN 60 5.270 -10.401 4.159 366 1HG GLN 60 1HG GLN 60 5.471 -8.249 3.527 367 2HG GLN 60 2HG GLN 60 5.639 -7.666 5.175 368 H SER 61 H SER 61 5.436 -11.856 6.144 369 HA SER 61 HA SER 61 4.971 -14.062 6.425 370 1HB SER 61 1HB SER 61 3.890 -12.966 8.514 371 2HB SER 61 2HB SER 61 2.358 -13.289 7.709 372 HG SER 61 HG SER 61 3.134 -15.529 7.552 373 H LEU 62 H LEU 62 4.091 -12.747 4.005 374 HA LEU 62 HA LEU 62 1.535 -13.843 3.282 375 1HB LEU 62 1HB LEU 62 2.388 -11.704 2.362 376 2HB LEU 62 2HB LEU 62 3.670 -12.586 1.557 377 HG LEU 62 HG LEU 62 1.982 -13.778 0.206 378 H1 MET 101 H1 MET 101 1.761 -16.981 5.285 379 H2 MET 101 H2 MET 101 1.881 -18.239 4.161 380 H3 MET 101 H3 MET 101 1.553 -16.665 3.634 381 HA MET 101 HA MET 101 -0.490 -17.736 3.543 382 1HB MET 101 1HB MET 101 0.586 -19.524 5.252 383 2HB MET 101 2HB MET 101 -0.447 -18.642 6.369 384 1HG MET 101 1HG MET 101 -1.410 -19.866 3.801 385 2HG MET 101 2HG MET 101 -1.483 -20.668 5.367 386 1HE MET 101 1HE MET 101 -2.918 -19.953 7.334 387 2HE MET 101 2HE MET 101 -2.350 -18.284 7.389 388 3HE MET 101 3HE MET 101 -4.077 -18.626 7.344 389 H LYS 102 H LYS 102 -1.759 -15.981 3.558 390 HA LYS 102 HA LYS 102 -1.673 -14.195 5.861 391 1HB LYS 102 1HB LYS 102 -2.680 -12.546 4.504 392 2HB LYS 102 2HB LYS 102 -1.542 -13.371 3.449 393 1HG LYS 102 1HG LYS 102 -3.151 -14.038 2.060 394 2HG LYS 102 2HG LYS 102 -4.203 -14.545 3.383 395 1HD LYS 102 1HD LYS 102 -4.727 -12.109 3.755 396 2HD LYS 102 2HD LYS 102 -3.880 -11.771 2.247 397 1HE LYS 102 1HE LYS 102 -6.274 -11.925 1.865 398 2HE LYS 102 2HE LYS 102 -5.432 -13.241 1.049 399 1HZ LYS 102 1HZ LYS 102 -6.333 -13.846 3.733 400 2HZ LYS 102 2HZ LYS 102 -7.578 -13.562 2.619 401 3HZ LYS 102 3HZ LYS 102 -6.435 -14.772 2.319 402 HA PRO 103 HA PRO 103 -5.449 -15.791 7.589 403 1HB PRO 103 1HB PRO 103 -5.825 -13.140 8.766 404 2HB PRO 103 2HB PRO 103 -5.559 -14.683 9.569 405 1HG PRO 103 1HG PRO 103 -3.676 -12.779 9.547 406 2HG PRO 103 2HG PRO 103 -3.252 -14.500 9.444 407 1HD PRO 103 1HD PRO 103 -3.421 -12.455 7.256 408 2HD PRO 103 2HD PRO 103 -2.186 -13.703 7.540 409 H VAL 104 H VAL 104 -7.744 -14.589 8.188 410 HA VAL 104 HA VAL 104 -8.997 -14.106 5.704 411 HB VAL 104 HB VAL 104 -10.177 -13.080 8.247 412 H THR 105 H THR 105 -9.915 -12.130 4.922 413 HA THR 105 HA THR 105 -9.035 -9.692 6.233 414 HB THR 105 HB THR 105 -8.056 -8.853 4.017 415 HG1 THR 105 HG1 THR 105 -8.364 -11.590 3.493 416 H LEU 106 H LEU 106 -9.550 -7.899 4.322 417 HA LEU 106 HA LEU 106 -12.447 -8.077 4.229 418 1HB LEU 106 1HB LEU 106 -11.648 -5.896 2.627 419 2HB LEU 106 2HB LEU 106 -12.377 -5.863 4.216 420 HG LEU 106 HG LEU 106 -9.863 -6.192 4.983 421 H TYR 107 H TYR 107 -9.817 -8.817 2.166 422 HA TYR 107 HA TYR 107 -11.124 -8.559 -0.324 423 1HB TYR 107 1HB TYR 107 -8.742 -10.121 0.652 424 2HB TYR 107 2HB TYR 107 -9.330 -10.277 -0.995 425 HD1 TYR 107 HD1 TYR 107 -7.787 -7.988 1.429 426 HD2 TYR 107 HD2 TYR 107 -8.902 -8.584 -2.625 427 HE1 TYR 107 HE1 TYR 107 -6.391 -6.076 0.768 428 HE2 TYR 107 HE2 TYR 107 -7.519 -6.665 -3.295 429 HH TYR 107 HH TYR 107 -6.460 -4.785 -2.477 430 H ASP 108 H ASP 108 -10.738 -11.131 2.030 431 HA ASP 108 HA ASP 108 -11.856 -13.227 0.581 432 1HB ASP 108 1HB ASP 108 -11.553 -12.632 3.539 433 2HB ASP 108 2HB ASP 108 -12.125 -14.178 2.944 434 H VAL 109 H VAL 109 -13.245 -11.302 3.206 435 HA VAL 109 HA VAL 109 -15.811 -12.321 2.730 436 HB VAL 109 HB VAL 109 -16.334 -11.420 4.651 437 H ALA 110 H ALA 110 -14.089 -9.761 1.205 438 HA ALA 110 HA ALA 110 -16.407 -8.463 0.101 439 1HB ALA 110 1HB ALA 110 -13.563 -8.371 -0.896 440 2HB ALA 110 2HB ALA 110 -14.867 -7.276 -1.347 441 3HB ALA 110 3HB ALA 110 -14.250 -7.277 0.306 442 H GLU 111 H GLU 111 -14.221 -11.008 -0.752 443 HA GLU 111 HA GLU 111 -15.004 -11.404 -3.449 444 1HB GLU 111 1HB GLU 111 -13.152 -12.449 -1.627 445 2HB GLU 111 2HB GLU 111 -14.154 -13.813 -2.077 446 1HG GLU 111 1HG GLU 111 -12.918 -11.995 -4.119 447 2HG GLU 111 2HG GLU 111 -12.074 -13.388 -3.459 448 H TYR 112 H TYR 112 -15.821 -12.779 -0.394 449 HA TYR 112 HA TYR 112 -17.753 -14.668 -1.098 450 1HB TYR 112 1HB TYR 112 -16.461 -13.825 1.122 451 2HB TYR 112 2HB TYR 112 -18.051 -13.178 1.407 452 HD1 TYR 112 HD1 TYR 112 -16.733 -16.426 0.089 453 HD2 TYR 112 HD2 TYR 112 -19.272 -14.394 2.811 454 HE1 TYR 112 HE1 TYR 112 -17.491 -18.584 0.992 455 HE2 TYR 112 HE2 TYR 112 -20.033 -16.514 3.721 456 HH TYR 112 HH TYR 112 -20.140 -18.779 3.285 457 H ALA 113 H ALA 113 -18.138 -11.542 0.349 458 HA ALA 113 HA ALA 113 -20.889 -11.311 0.187 459 1HB ALA 113 1HB ALA 113 -19.604 -9.894 1.619 460 2HB ALA 113 2HB ALA 113 -20.552 -8.894 0.523 461 3HB ALA 113 3HB ALA 113 -18.829 -9.131 0.230 462 H GLY 114 H GLY 114 -18.535 -10.835 -2.290 463 1HA GLY 114 1HA GLY 114 -20.647 -10.461 -4.239 464 2HA GLY 114 2HA GLY 114 -18.931 -10.667 -4.583 465 H VAL 115 H VAL 115 -17.919 -8.667 -2.953 466 HA VAL 115 HA VAL 115 -18.752 -6.262 -4.375 467 HB VAL 115 HB VAL 115 -18.586 -4.926 -2.293 468 H SER 116 H SER 116 -16.975 -4.565 -2.993 469 HA SER 116 HA SER 116 -14.386 -5.791 -3.665 470 1HB SER 116 1HB SER 116 -13.579 -3.632 -4.306 471 2HB SER 116 2HB SER 116 -15.159 -3.799 -5.065 472 HG SER 116 HG SER 116 -15.924 -2.252 -3.830 473 H VAL 117 H VAL 117 -12.619 -4.272 -2.412 474 HA VAL 117 HA VAL 117 -13.126 -4.892 0.344 475 HB VAL 117 HB VAL 117 -10.861 -4.099 0.725 476 H ALA 118 H ALA 118 -13.671 -2.334 -1.741 477 HA ALA 118 HA ALA 118 -13.400 -0.199 0.119 478 1HB ALA 118 1HB ALA 118 -14.857 -0.361 -2.515 479 2HB ALA 118 2HB ALA 118 -14.624 1.116 -1.576 480 3HB ALA 118 3HB ALA 118 -13.231 0.263 -2.236 481 H THR 119 H THR 119 -16.010 -2.380 -0.946 482 HA THR 119 HA THR 119 -18.059 -0.962 0.398 483 HB THR 119 HB THR 119 -18.451 -3.836 0.070 484 HG1 THR 119 HG1 THR 119 -18.379 -2.649 -2.403 485 H VAL 120 H VAL 120 -16.178 -3.824 1.099 486 HA VAL 120 HA VAL 120 -17.221 -4.386 3.626 487 HB VAL 120 HB VAL 120 -14.514 -5.020 2.465 488 H SER 121 H SER 121 -14.494 -2.329 2.692 489 HA SER 121 HA SER 121 -13.559 -1.734 5.234 490 1HB SER 121 1HB SER 121 -12.351 -1.133 3.180 491 2HB SER 121 2HB SER 121 -13.605 0.034 2.772 492 HG SER 121 HG SER 121 -11.825 0.093 4.977 493 H ARG 122 H ARG 122 -16.291 -0.437 3.360 494 HA ARG 122 HA ARG 122 -16.833 1.742 5.056 495 1HB ARG 122 1HB ARG 122 -18.804 0.085 3.524 496 2HB ARG 122 2HB ARG 122 -19.078 1.683 4.160 497 1HG ARG 122 1HG ARG 122 -17.221 0.931 1.932 498 2HG ARG 122 2HG ARG 122 -18.745 1.814 1.821 499 1HD ARG 122 1HD ARG 122 -17.730 3.589 3.266 500 2HD ARG 122 2HD ARG 122 -16.196 2.734 3.147 501 HE ARG 122 HE ARG 122 -16.943 3.119 0.560 502 1HH1 ARG 122 1HH1 ARG 122 -16.415 5.200 3.319 503 1HH2 ARG 122 1HH2 ARG 122 -16.376 4.956 -0.714 504 2HH1 ARG 122 2HH1 ARG 122 -15.999 6.589 2.364 505 2HH2 ARG 122 2HH2 ARG 122 -15.993 6.451 0.072 506 H VAL 123 H VAL 123 -18.119 -1.537 4.930 507 HA VAL 123 HA VAL 123 -19.817 -1.283 7.178 508 HB VAL 123 HB VAL 123 -18.598 -3.820 6.118 509 H VAL 124 H VAL 124 -16.523 -2.436 6.749 510 HA VAL 124 HA VAL 124 -15.948 -3.173 9.375 511 HB VAL 124 HB VAL 124 -14.365 -2.267 7.000 512 H ASN 125 H ASN 125 -16.001 -0.122 7.724 513 HA ASN 125 HA ASN 125 -15.114 1.410 10.041 514 1HB ASN 125 1HB ASN 125 -15.735 2.026 7.186 515 2HB ASN 125 2HB ASN 125 -15.871 3.332 8.357 516 1HD2 ASN 125 1HD2 ASN 125 -13.791 1.365 6.517 517 1HD2 ASN 125 1HD2 ASN 125 -12.292 2.066 7.047 518 H GLN 126 H GLN 126 -17.764 -0.154 9.707 519 HA GLN 126 HA GLN 126 -19.611 -0.030 11.077 520 1HB GLN 126 1HB GLN 126 -18.890 2.813 11.184 521 2HB GLN 126 2HB GLN 126 -20.564 2.384 11.496 522 1HG GLN 126 1HG GLN 126 -18.738 2.515 13.386 523 2HG GLN 126 2HG GLN 126 -20.078 1.381 13.463 524 H ALA 127 H ALA 127 -19.172 1.940 8.285 525 HA ALA 127 HA ALA 127 -20.264 1.897 6.302 526 1HB ALA 127 1HB ALA 127 -21.369 -0.031 6.075 527 2HB ALA 127 2HB ALA 127 -22.790 0.902 6.540 528 3HB ALA 127 3HB ALA 127 -21.915 -0.036 7.751 529 H SER 128 H SER 128 -22.409 2.758 5.447 530 HA SER 128 HA SER 128 -24.083 4.482 6.703 531 1HB SER 128 1HB SER 128 -21.447 5.753 6.133 532 2HB SER 128 2HB SER 128 -22.908 6.704 5.907 533 HG SER 128 HG SER 128 -22.507 5.266 8.293 534 H HIS 129 H HIS 129 -21.811 4.863 4.049 535 HA HIS 129 HA HIS 129 -23.965 5.186 2.142 536 1HB HIS 129 1HB HIS 129 -20.995 5.473 2.046 537 2HB HIS 129 2HB HIS 129 -21.847 5.158 0.539 538 HD1 HIS 129 HD1 HIS 129 -21.031 7.584 -0.180 539 HD2 HIS 129 HD2 HIS 129 -23.791 7.458 2.930 540 HE1 HIS 129 HE1 HIS 129 -21.983 9.902 -0.021 541 HE2 HIS 129 HE2 HIS 129 -23.614 9.820 1.894 542 H VAL 130 H VAL 130 -23.661 2.687 3.545 543 HA VAL 130 HA VAL 130 -23.240 0.822 1.341 544 HB VAL 130 HB VAL 130 -22.428 0.687 4.186 545 H SER 131 H SER 131 -25.161 0.010 0.635 546 HA SER 131 HA SER 131 -27.609 0.553 1.792 547 1HB SER 131 1HB SER 131 -28.013 -1.830 0.427 548 2HB SER 131 2HB SER 131 -28.079 -0.210 -0.276 549 HG SER 131 HG SER 131 -26.634 -1.580 -1.413 550 H ALA 132 H ALA 132 -28.969 -0.554 3.168 551 HA ALA 132 HA ALA 132 -28.008 -1.920 5.323 552 1HB ALA 132 1HB ALA 132 -30.286 -0.973 5.139 553 2HB ALA 132 2HB ALA 132 -30.268 -2.600 5.822 554 3HB ALA 132 3HB ALA 132 -30.747 -2.354 4.144 555 H LYS 133 H LYS 133 -29.239 -3.336 2.317 556 HA LYS 133 HA LYS 133 -29.028 -6.012 3.038 557 1HB LYS 133 1HB LYS 133 -29.724 -4.604 0.753 558 2HB LYS 133 2HB LYS 133 -28.360 -5.600 0.271 559 1HG LYS 133 1HG LYS 133 -30.722 -6.715 1.745 560 2HG LYS 133 2HG LYS 133 -30.660 -6.611 -0.011 561 1HD LYS 133 1HD LYS 133 -29.353 -8.415 -0.155 562 2HD LYS 133 2HD LYS 133 -28.249 -7.793 1.074 563 1HE LYS 133 1HE LYS 133 -30.890 -8.891 1.920 564 2HE LYS 133 2HE LYS 133 -29.609 -10.011 1.462 565 1HZ LYS 133 1HZ LYS 133 -28.180 -8.776 3.099 566 2HZ LYS 133 2HZ LYS 133 -29.590 -8.023 3.661 567 3HZ LYS 133 3HZ LYS 133 -29.424 -9.705 3.759 568 H THR 134 H THR 134 -26.615 -3.829 1.693 569 HA THR 134 HA THR 134 -24.598 -5.781 1.342 570 HB THR 134 HB THR 134 -24.308 -2.832 1.641 571 HG1 THR 134 HG1 THR 134 -25.051 -2.670 -0.334 572 H ARG 135 H ARG 135 -25.290 -3.390 3.813 573 HA ARG 135 HA ARG 135 -23.225 -3.753 5.542 574 1HB ARG 135 1HB ARG 135 -25.035 -2.128 5.874 575 2HB ARG 135 2HB ARG 135 -26.151 -3.428 6.254 576 1HG ARG 135 1HG ARG 135 -23.701 -3.202 7.901 577 2HG ARG 135 2HG ARG 135 -24.952 -1.996 8.127 578 1HD ARG 135 1HD ARG 135 -26.539 -3.976 8.312 579 2HD ARG 135 2HD ARG 135 -25.087 -4.940 8.520 580 HE ARG 135 HE ARG 135 -25.791 -2.700 10.304 581 1HH1 ARG 135 1HH1 ARG 135 -24.676 -5.988 9.814 582 1HH2 ARG 135 1HH2 ARG 135 -25.307 -3.033 12.497 583 2HH1 ARG 135 2HH1 ARG 135 -24.288 -6.235 11.483 584 2HH2 ARG 135 2HH2 ARG 135 -24.653 -4.554 13.017 585 H GLU 136 H GLU 136 -26.098 -5.727 5.245 586 HA GLU 136 HA GLU 136 -25.344 -7.591 7.279 587 1HB GLU 136 1HB GLU 136 -27.372 -7.793 5.099 588 2HB GLU 136 2HB GLU 136 -27.245 -8.900 6.438 589 1HG GLU 136 1HG GLU 136 -27.976 -7.287 7.953 590 2HG GLU 136 2HG GLU 136 -27.740 -5.988 6.791 591 H LYS 137 H LYS 137 -25.113 -7.318 3.848 592 HA LYS 137 HA LYS 137 -24.521 -9.867 2.992 593 1HB LYS 137 1HB LYS 137 -24.974 -7.960 1.513 594 2HB LYS 137 2HB LYS 137 -23.457 -7.230 2.003 595 1HG LYS 137 1HG LYS 137 -22.445 -9.471 1.142 596 2HG LYS 137 2HG LYS 137 -23.932 -9.526 0.189 597 1HD LYS 137 1HD LYS 137 -22.139 -7.111 0.271 598 2HD LYS 137 2HD LYS 137 -21.909 -8.420 -0.887 599 1HE LYS 137 1HE LYS 137 -24.363 -6.708 -0.585 600 2HE LYS 137 2HE LYS 137 -23.181 -6.627 -1.883 601 1HZ LYS 137 1HZ LYS 137 -23.779 -9.012 -2.360 602 2HZ LYS 137 2HZ LYS 137 -25.102 -8.811 -1.323 603 3HZ LYS 137 3HZ LYS 137 -24.972 -7.864 -2.718 604 H VAL 138 H VAL 138 -22.280 -7.382 3.981 605 HA VAL 138 HA VAL 138 -20.035 -9.125 3.572 606 HB VAL 138 HB VAL 138 -18.654 -7.395 3.677 607 H GLU 139 H GLU 139 -21.868 -7.956 6.368 608 HA GLU 139 HA GLU 139 -20.075 -8.843 8.311 609 1HB GLU 139 1HB GLU 139 -23.020 -8.306 8.234 610 2HB GLU 139 2HB GLU 139 -22.242 -8.918 9.679 611 1HG GLU 139 1HG GLU 139 -20.737 -6.734 8.667 612 2HG GLU 139 2HG GLU 139 -22.432 -6.272 8.794 613 H ALA 140 H ALA 140 -22.736 -10.351 6.603 614 HA ALA 140 HA ALA 140 -22.698 -12.791 7.955 615 1HB ALA 140 1HB ALA 140 -23.403 -12.333 5.059 616 2HB ALA 140 2HB ALA 140 -24.502 -12.100 6.417 617 3HB ALA 140 3HB ALA 140 -23.886 -13.710 6.051 618 H ALA 141 H ALA 141 -20.930 -11.602 5.208 619 HA ALA 141 HA ALA 141 -19.567 -13.945 4.547 620 1HB ALA 141 1HB ALA 141 -19.708 -12.107 2.980 621 2HB ALA 141 2HB ALA 141 -18.013 -12.435 3.339 622 3HB ALA 141 3HB ALA 141 -18.820 -11.059 4.088 623 H MET 142 H MET 142 -18.690 -11.152 6.547 624 HA MET 142 HA MET 142 -16.130 -11.829 7.269 625 1HB MET 142 1HB MET 142 -18.283 -10.441 8.839 626 2HB MET 142 2HB MET 142 -16.628 -10.587 9.389 627 1HG MET 142 1HG MET 142 -15.857 -9.284 7.490 628 2HG MET 142 2HG MET 142 -17.515 -9.190 6.882 629 1HE MET 142 1HE MET 142 -15.598 -6.693 7.385 630 2HE MET 142 2HE MET 142 -17.246 -6.451 6.808 631 3HE MET 142 3HE MET 142 -16.655 -5.538 8.195 632 H ALA 143 H ALA 143 -19.126 -12.951 8.437 633 HA ALA 143 HA ALA 143 -18.213 -14.140 10.839 634 1HB ALA 143 1HB ALA 143 -20.440 -15.234 10.865 635 2HB ALA 143 2HB ALA 143 -20.746 -14.543 9.271 636 3HB ALA 143 3HB ALA 143 -20.500 -13.483 10.659 637 H GLU 144 H GLU 144 -18.828 -15.455 7.616 638 HA GLU 144 HA GLU 144 -18.545 -18.124 8.325 639 1HB GLU 144 1HB GLU 144 -18.059 -16.913 5.658 640 2HB GLU 144 2HB GLU 144 -18.466 -18.584 6.002 641 1HG GLU 144 1HG GLU 144 -20.467 -17.148 7.231 642 2HG GLU 144 2HG GLU 144 -20.156 -16.284 5.735 643 H LEU 145 H LEU 145 -16.227 -16.051 6.622 644 HA LEU 145 HA LEU 145 -14.225 -18.050 6.829 645 1HB LEU 145 1HB LEU 145 -12.745 -15.958 6.355 646 2HB LEU 145 2HB LEU 145 -13.610 -16.788 5.108 647 HG LEU 145 HG LEU 145 -13.512 -14.227 5.161 648 H ASN 146 H ASN 146 -15.317 -15.578 8.862 649 HA ASN 146 HA ASN 146 -14.868 -15.041 11.007 650 1HB ASN 146 1HB ASN 146 -14.351 -17.359 11.481 651 2HB ASN 146 2HB ASN 146 -12.756 -17.146 10.807 652 1HD2 ASN 146 1HD2 ASN 146 -14.862 -16.263 13.413 653 1HD2 ASN 146 1HD2 ASN 146 -13.602 -15.892 14.534 654 H TYR 147 H TYR 147 -14.425 -13.242 9.702 655 HA TYR 147 HA TYR 147 -12.062 -12.290 8.712 656 1HB TYR 147 1HB TYR 147 -14.305 -11.342 8.344 657 2HB TYR 147 2HB TYR 147 -14.316 -10.729 9.988 658 HD1 TYR 147 HD1 TYR 147 -11.512 -10.577 7.526 659 HD2 TYR 147 HD2 TYR 147 -14.480 -8.417 9.683 660 HE1 TYR 147 HE1 TYR 147 -10.515 -8.455 6.790 661 HE2 TYR 147 HE2 TYR 147 -13.487 -6.310 8.947 662 HH TYR 147 HH TYR 147 -10.465 -6.212 7.196 663 H ILE 148 H ILE 148 -12.462 -9.783 10.482 664 HA ILE 148 HA ILE 148 -11.804 -8.894 12.526 665 HB ILE 148 HB ILE 148 -10.011 -11.295 12.623 666 HA PRO 149 HA PRO 149 -8.986 -6.803 9.793 667 1HB PRO 149 1HB PRO 149 -9.339 -4.339 10.842 668 2HB PRO 149 2HB PRO 149 -10.535 -5.114 9.800 669 1HG PRO 149 1HG PRO 149 -10.579 -4.675 12.724 670 2HG PRO 149 2HG PRO 149 -11.927 -4.835 11.584 671 1HD PRO 149 1HD PRO 149 -10.907 -6.827 13.328 672 2HD PRO 149 2HD PRO 149 -12.130 -7.042 12.060 673 H ASN 150 H ASN 150 -7.172 -4.993 10.228 674 HA ASN 150 HA ASN 150 -5.683 -5.874 12.575 675 1HB ASN 150 1HB ASN 150 -4.979 -5.508 9.755 676 2HB ASN 150 2HB ASN 150 -3.914 -4.622 10.844 677 1HD2 ASN 150 1HD2 ASN 150 -4.791 -7.625 9.583 678 1HD2 ASN 150 1HD2 ASN 150 -3.620 -8.557 10.447 679 H ARG 151 H ARG 151 -5.316 -4.375 14.035 680 HA ARG 151 HA ARG 151 -6.497 -1.884 14.056 681 1HB ARG 151 1HB ARG 151 -5.494 -3.352 15.953 682 2HB ARG 151 2HB ARG 151 -4.052 -2.403 15.654 683 1HG ARG 151 1HG ARG 151 -5.386 -1.484 17.481 684 2HG ARG 151 2HG ARG 151 -5.253 -0.357 16.131 685 1HD ARG 151 1HD ARG 151 -7.544 -2.018 15.748 686 2HD ARG 151 2HD ARG 151 -7.597 -1.328 17.365 687 HE ARG 151 HE ARG 151 -6.950 0.758 15.691 688 1HH1 ARG 151 1HH1 ARG 151 -9.620 -1.492 15.968 689 1HH2 ARG 151 1HH2 ARG 151 -8.462 2.220 14.887 690 2HH1 ARG 151 2HH1 ARG 151 -10.786 -0.365 15.352 691 2HH2 ARG 151 2HH2 ARG 151 -10.129 1.753 14.735 692 H CYS 152 H CYS 152 -3.318 -2.750 12.850 693 HA CYS 152 HA CYS 152 -2.392 -0.014 12.811 694 1HB CYS 152 1HB CYS 152 -1.101 -2.382 12.884 695 2HB CYS 152 2HB CYS 152 -1.065 -2.040 11.158 696 H ALA 153 H ALA 153 -3.256 -2.404 10.383 697 HA ALA 153 HA ALA 153 -3.037 -0.875 8.127 698 1HB ALA 153 1HB ALA 153 -5.215 -2.881 8.716 699 2HB ALA 153 2HB ALA 153 -4.759 -2.301 7.117 700 3HB ALA 153 3HB ALA 153 -3.617 -3.246 8.072 701 H GLN 154 H GLN 154 -5.667 -0.962 10.449 702 HA GLN 154 HA GLN 154 -7.436 0.779 9.124 703 1HB GLN 154 1HB GLN 154 -7.048 0.018 12.011 704 2HB GLN 154 2HB GLN 154 -8.360 1.043 11.454 705 1HG GLN 154 1HG GLN 154 -8.780 -0.949 9.791 706 2HG GLN 154 2HG GLN 154 -7.887 -1.858 11.000 707 H GLN 155 H GLN 155 -5.065 1.247 11.699 708 HA GLN 155 HA GLN 155 -5.465 3.993 12.004 709 1HB GLN 155 1HB GLN 155 -3.043 2.333 12.600 710 2HB GLN 155 2HB GLN 155 -3.198 4.008 13.049 711 1HG GLN 155 1HG GLN 155 -4.515 1.612 14.177 712 2HG GLN 155 2HG GLN 155 -3.813 3.007 14.983 713 H LEU 156 H LEU 156 -3.100 2.244 10.044 714 HA LEU 156 HA LEU 156 -1.771 4.477 9.008 715 1HB LEU 156 1HB LEU 156 -1.227 1.950 8.923 716 2HB LEU 156 2HB LEU 156 -2.238 1.929 7.488 717 HG LEU 156 HG LEU 156 -0.730 3.445 6.347 718 H ALA 157 H ALA 157 -4.087 2.451 7.352 719 HA ALA 157 HA ALA 157 -4.622 4.056 5.170 720 1HB ALA 157 1HB ALA 157 -6.638 2.241 6.485 721 2HB ALA 157 2HB ALA 157 -6.648 2.793 4.811 722 3HB ALA 157 3HB ALA 157 -5.369 1.720 5.375 723 H GLY 158 H GLY 158 -5.908 4.392 8.386 724 1HA GLY 158 1HA GLY 158 -7.613 5.768 9.189 725 2HA GLY 158 2HA GLY 158 -7.915 6.304 7.541 726 H LYS 159 H LYS 159 -4.642 6.421 8.182 727 HA LYS 159 HA LYS 159 -4.728 9.133 9.246 728 1HB LYS 159 1HB LYS 159 -3.289 7.305 10.283 729 2HB LYS 159 2HB LYS 159 -2.289 7.449 8.854 730 1HG LYS 159 1HG LYS 159 -2.278 9.986 9.501 731 2HG LYS 159 2HG LYS 159 -2.652 9.348 11.103 732 1HD LYS 159 1HD LYS 159 -0.309 9.501 11.041 733 2HD LYS 159 2HD LYS 159 -0.650 7.796 10.736 734 1HE LYS 159 1HE LYS 159 1.067 8.684 9.213 735 2HE LYS 159 2HE LYS 159 -0.371 8.136 8.356 736 1HZ LYS 159 1HZ LYS 159 -0.240 10.950 9.125 737 2HZ LYS 159 2HZ LYS 159 0.733 10.446 7.838 738 3HZ LYS 159 3HZ LYS 159 -0.946 10.233 7.764 739 H GLN 160 H GLN 160 -5.620 9.155 6.754 740 HA GLN 160 HA GLN 160 -3.718 9.309 4.712 741 1HB GLN 160 1HB GLN 160 -6.461 10.444 4.988 742 2HB GLN 160 2HB GLN 160 -5.520 10.611 3.533 743 1HG GLN 160 1HG GLN 160 -5.783 8.464 2.946 744 2HG GLN 160 2HG GLN 160 -5.803 7.900 4.606 745 H SER 161 H SER 161 -5.593 12.183 5.272 746 HA SER 161 HA SER 161 -5.049 14.383 5.462 747 1HB SER 161 1HB SER 161 -4.139 13.669 7.645 748 2HB SER 161 2HB SER 161 -2.593 13.314 6.883 749 HG SER 161 HG SER 161 -2.810 15.674 6.190 750 H LEU 162 H LEU 162 -4.112 12.733 3.193 751 HA LEU 162 HA LEU 162 -1.582 13.744 2.342 752 1HB LEU 162 1HB LEU 162 -2.384 11.575 1.595 753 2HB LEU 162 2HB LEU 162 -3.791 12.314 0.856 754 HG LEU 162 HG LEU 162 -2.287 13.484 -0.741 No H/Q in entry = 754 Start of MODEL 6 1 H1 MET 1 H1 MET 1 5.021 22.335 6.672 2 H2 MET 1 H2 MET 1 5.985 22.373 5.291 3 H3 MET 1 H3 MET 1 5.255 23.791 5.851 4 HA MET 1 HA MET 1 3.074 22.889 5.404 5 1HB MET 1 1HB MET 1 5.114 23.169 3.249 6 2HB MET 1 2HB MET 1 3.533 22.548 2.800 7 1HG MET 1 1HG MET 1 4.097 25.168 4.162 8 2HG MET 1 2HG MET 1 3.649 24.942 2.474 9 1HE MET 1 1HE MET 1 1.268 24.029 1.694 10 2HE MET 1 2HE MET 1 1.418 22.629 2.755 11 3HE MET 1 3HE MET 1 -0.039 23.623 2.806 12 H LYS 2 H LYS 2 5.531 20.802 3.860 13 HA LYS 2 HA LYS 2 3.659 18.560 4.186 14 1HB LYS 2 1HB LYS 2 5.132 17.486 2.380 15 2HB LYS 2 2HB LYS 2 4.052 18.778 1.883 16 1HG LYS 2 1HG LYS 2 5.775 20.279 1.557 17 2HG LYS 2 2HG LYS 2 6.878 19.399 2.614 18 1HD LYS 2 1HD LYS 2 5.879 18.270 0.010 19 2HD LYS 2 2HD LYS 2 7.339 19.259 0.123 20 1HE LYS 2 1HE LYS 2 8.275 17.664 1.741 21 2HE LYS 2 2HE LYS 2 6.829 16.669 1.591 22 1HZ LYS 2 1HZ LYS 2 8.575 17.329 -0.711 23 2HZ LYS 2 2HZ LYS 2 8.789 15.946 0.246 24 3HZ LYS 2 3HZ LYS 2 7.354 16.158 -0.637 25 HA PRO 3 HA PRO 3 6.604 16.857 7.052 26 1HB PRO 3 1HB PRO 3 5.485 14.230 6.572 27 2HB PRO 3 2HB PRO 3 5.378 15.231 8.021 28 1HG PRO 3 1HG PRO 3 3.247 14.710 6.419 29 2HG PRO 3 2HG PRO 3 3.415 16.209 7.353 30 1HD PRO 3 1HD PRO 3 3.923 15.715 4.444 31 2HD PRO 3 2HD PRO 3 3.167 17.115 5.239 32 H VAL 4 H VAL 4 8.129 14.997 7.206 33 HA VAL 4 HA VAL 4 9.416 14.622 4.617 34 HB VAL 4 HB VAL 4 10.608 13.803 7.225 35 H THR 5 H THR 5 10.170 12.585 3.969 36 HA THR 5 HA THR 5 9.195 10.239 5.406 37 HB THR 5 HB THR 5 8.317 9.348 3.127 38 HG1 THR 5 HG1 THR 5 7.293 11.604 2.274 39 H LEU 6 H LEU 6 9.775 8.273 3.796 40 HA LEU 6 HA LEU 6 12.651 8.436 3.650 41 1HB LEU 6 1HB LEU 6 11.940 6.153 2.229 42 2HB LEU 6 2HB LEU 6 12.505 6.227 3.884 43 HG LEU 6 HG LEU 6 9.970 6.567 4.429 44 H TYR 7 H TYR 7 10.022 9.025 1.557 45 HA TYR 7 HA TYR 7 11.253 8.572 -0.930 46 1HB TYR 7 1HB TYR 7 8.891 10.096 0.063 47 2HB TYR 7 2HB TYR 7 9.495 10.464 -1.548 48 HD1 TYR 7 HD1 TYR 7 9.354 8.815 -3.332 49 HD2 TYR 7 HD2 TYR 7 7.811 7.988 0.546 50 HE1 TYR 7 HE1 TYR 7 8.092 6.918 -4.245 51 HE2 TYR 7 HE2 TYR 7 6.543 6.086 -0.361 52 HH TYR 7 HH TYR 7 5.611 5.388 -2.603 53 H ASP 8 H ASP 8 10.992 11.357 1.188 54 HA ASP 8 HA ASP 8 12.219 13.217 -0.554 55 1HB ASP 8 1HB ASP 8 11.179 13.179 2.189 56 2HB ASP 8 2HB ASP 8 12.639 14.152 2.046 57 H VAL 9 H VAL 9 13.462 11.505 2.320 58 HA VAL 9 HA VAL 9 16.063 12.472 1.862 59 HB VAL 9 HB VAL 9 16.544 11.672 3.840 60 H ALA 10 H ALA 10 14.340 9.821 0.505 61 HA ALA 10 HA ALA 10 16.620 8.401 -0.469 62 1HB ALA 10 1HB ALA 10 13.843 8.424 -1.643 63 2HB ALA 10 2HB ALA 10 15.084 7.190 -1.860 64 3HB ALA 10 3HB ALA 10 14.330 7.417 -0.280 65 H GLU 11 H GLU 11 14.602 10.987 -1.574 66 HA GLU 11 HA GLU 11 15.596 11.140 -4.243 67 1HB GLU 11 1HB GLU 11 13.577 12.321 -2.654 68 2HB GLU 11 2HB GLU 11 14.560 13.639 -3.254 69 1HG GLU 11 1HG GLU 11 13.512 11.496 -5.066 70 2HG GLU 11 2HG GLU 11 12.563 12.915 -4.654 71 H TYR 12 H TYR 12 16.147 12.742 -1.234 72 HA TYR 12 HA TYR 12 18.053 14.662 -1.888 73 1HB TYR 12 1HB TYR 12 16.745 13.728 0.314 74 2HB TYR 12 2HB TYR 12 18.382 13.217 0.623 75 HD1 TYR 12 HD1 TYR 12 16.603 16.280 -0.532 76 HD2 TYR 12 HD2 TYR 12 19.690 14.606 1.848 77 HE1 TYR 12 HE1 TYR 12 17.140 18.513 0.330 78 HE2 TYR 12 HE2 TYR 12 20.238 16.812 2.718 79 HH TYR 12 HH TYR 12 19.877 19.035 2.530 80 H ALA 13 H ALA 13 18.406 11.505 -0.544 81 HA ALA 13 HA ALA 13 21.204 11.327 -0.708 82 1HB ALA 13 1HB ALA 13 19.100 9.214 -0.378 83 2HB ALA 13 2HB ALA 13 20.105 9.960 0.866 84 3HB ALA 13 3HB ALA 13 20.828 8.868 -0.319 85 H GLY 14 H GLY 14 18.720 10.841 -3.037 86 1HA GLY 14 1HA GLY 14 20.728 9.953 -4.997 87 2HA GLY 14 2HA GLY 14 19.294 10.904 -5.365 88 H VAL 15 H VAL 15 20.036 7.971 -3.646 89 HA VAL 15 HA VAL 15 19.024 5.989 -5.032 90 HB VAL 15 HB VAL 15 18.854 4.754 -2.973 91 H SER 16 H SER 16 17.280 4.542 -3.753 92 HA SER 16 HA SER 16 14.689 5.808 -4.356 93 1HB SER 16 1HB SER 16 13.827 3.654 -4.893 94 2HB SER 16 2HB SER 16 15.402 3.746 -5.668 95 HG SER 16 HG SER 16 16.246 2.430 -4.099 96 H VAL 17 H VAL 17 12.909 4.284 -3.096 97 HA VAL 17 HA VAL 17 13.311 5.070 -0.361 98 HB VAL 17 HB VAL 17 11.031 4.359 -0.019 99 H ALA 18 H ALA 18 13.790 2.335 -2.305 100 HA ALA 18 HA ALA 18 13.493 0.345 -0.313 101 1HB ALA 18 1HB ALA 18 15.015 0.289 -2.910 102 2HB ALA 18 2HB ALA 18 14.677 -1.115 -1.899 103 3HB ALA 18 3HB ALA 18 13.351 -0.240 -2.663 104 H THR 19 H THR 19 16.117 2.368 -1.502 105 HA THR 19 HA THR 19 18.161 1.049 -0.079 106 HB THR 19 HB THR 19 18.444 3.930 -0.632 107 HG1 THR 19 HG1 THR 19 18.574 2.319 -2.899 108 H VAL 20 H VAL 20 16.300 3.958 0.519 109 HA VAL 20 HA VAL 20 17.393 4.596 3.017 110 HB VAL 20 HB VAL 20 14.713 5.285 1.835 111 H SER 21 H SER 21 14.572 2.620 2.194 112 HA SER 21 HA SER 21 13.635 2.242 4.792 113 1HB SER 21 1HB SER 21 12.469 1.590 2.636 114 2HB SER 21 2HB SER 21 13.516 0.174 2.595 115 HG SER 21 HG SER 21 11.896 0.827 4.823 116 H ARG 22 H ARG 22 16.209 0.669 2.953 117 HA ARG 22 HA ARG 22 16.674 -1.411 4.780 118 1HB ARG 22 1HB ARG 22 18.533 0.043 2.932 119 2HB ARG 22 2HB ARG 22 18.973 -1.396 3.822 120 1HG ARG 22 1HG ARG 22 16.779 -1.223 1.779 121 2HG ARG 22 2HG ARG 22 18.381 -1.912 1.533 122 1HD ARG 22 1HD ARG 22 17.816 -3.428 3.528 123 2HD ARG 22 2HD ARG 22 16.151 -2.916 3.267 124 HE ARG 22 HE ARG 22 17.210 -3.828 0.833 125 1HH1 ARG 22 1HH1 ARG 22 16.215 -5.035 3.963 126 1HH2 ARG 22 1HH2 ARG 22 16.728 -5.946 0.052 127 2HH1 ARG 22 2HH1 ARG 22 15.843 -6.627 3.376 128 2HH2 ARG 22 2HH2 ARG 22 16.139 -7.147 1.159 129 H VAL 23 H VAL 23 18.003 1.835 4.515 130 HA VAL 23 HA VAL 23 19.766 1.586 6.744 131 HB VAL 23 HB VAL 23 18.646 4.111 5.537 132 H VAL 24 H VAL 24 16.537 2.841 6.250 133 HA VAL 24 HA VAL 24 15.958 3.733 8.828 134 HB VAL 24 HB VAL 24 14.407 2.787 6.461 135 H ASN 25 H ASN 25 16.109 0.636 7.360 136 HA ASN 25 HA ASN 25 15.045 -0.754 9.718 137 1HB ASN 25 1HB ASN 25 15.675 -1.531 6.908 138 2HB ASN 25 2HB ASN 25 15.772 -2.782 8.138 139 1HD2 ASN 25 1HD2 ASN 25 13.746 -0.797 6.237 140 1HD2 ASN 25 1HD2 ASN 25 12.229 -1.460 6.765 141 H GLN 26 H GLN 26 17.673 0.728 9.517 142 HA GLN 26 HA GLN 26 19.711 0.605 10.444 143 1HB GLN 26 1HB GLN 26 19.549 -2.058 11.604 144 2HB GLN 26 2HB GLN 26 20.000 -0.541 12.346 145 1HG GLN 26 1HG GLN 26 17.245 -1.612 11.909 146 2HG GLN 26 2HG GLN 26 18.072 -1.405 13.446 147 H ALA 27 H ALA 27 19.592 0.028 7.914 148 HA ALA 27 HA ALA 27 20.168 -1.187 6.101 149 1HB ALA 27 1HB ALA 27 22.692 -1.077 7.709 150 2HB ALA 27 2HB ALA 27 22.580 -1.275 5.960 151 3HB ALA 27 3HB ALA 27 22.003 0.212 6.717 152 H SER 28 H SER 28 20.927 -3.009 5.045 153 HA SER 28 HA SER 28 21.573 -5.408 6.484 154 1HB SER 28 1HB SER 28 19.134 -5.426 4.747 155 2HB SER 28 2HB SER 28 19.703 -6.719 5.792 156 HG SER 28 HG SER 28 19.396 -4.875 7.466 157 H HIS 29 H HIS 29 20.770 -3.787 3.525 158 HA HIS 29 HA HIS 29 22.921 -5.172 2.132 159 1HB HIS 29 1HB HIS 29 20.042 -5.292 1.403 160 2HB HIS 29 2HB HIS 29 21.159 -4.963 0.085 161 HD1 HIS 29 HD1 HIS 29 20.263 -7.363 -0.776 162 HD2 HIS 29 HD2 HIS 29 22.670 -7.401 2.613 163 HE1 HIS 29 HE1 HIS 29 21.074 -9.729 -0.548 164 HE2 HIS 29 HE2 HIS 29 22.400 -9.761 1.593 165 H VAL 30 H VAL 30 23.169 -2.756 3.201 166 HA VAL 30 HA VAL 30 23.073 -0.907 0.956 167 HB VAL 30 HB VAL 30 21.965 -0.517 3.670 168 H SER 31 H SER 31 25.048 -0.009 0.547 169 HA SER 31 HA SER 31 27.340 -0.885 1.911 170 1HB SER 31 1HB SER 31 28.024 1.433 0.498 171 2HB SER 31 2HB SER 31 28.094 -0.226 -0.111 172 HG SER 31 HG SER 31 26.717 0.581 -1.513 173 H ALA 32 H ALA 32 28.788 0.294 3.243 174 HA ALA 32 HA ALA 32 27.729 1.725 5.334 175 1HB ALA 32 1HB ALA 32 30.552 1.951 4.291 176 2HB ALA 32 2HB ALA 32 29.952 0.678 5.352 177 3HB ALA 32 3HB ALA 32 30.000 2.347 5.918 178 H LYS 33 H LYS 33 29.276 3.003 2.412 179 HA LYS 33 HA LYS 33 29.109 5.694 3.056 180 1HB LYS 33 1HB LYS 33 29.828 4.142 0.802 181 2HB LYS 33 2HB LYS 33 28.758 5.431 0.264 182 1HG LYS 33 1HG LYS 33 31.164 5.896 2.004 183 2HG LYS 33 2HG LYS 33 31.206 5.968 0.247 184 1HD LYS 33 1HD LYS 33 29.978 7.903 0.157 185 2HD LYS 33 2HD LYS 33 29.158 7.582 1.686 186 1HE LYS 33 1HE LYS 33 32.027 8.434 1.326 187 2HE LYS 33 2HE LYS 33 30.704 9.439 1.913 188 1HZ LYS 33 1HZ LYS 33 30.484 7.906 3.819 189 2HZ LYS 33 2HZ LYS 33 31.835 7.048 3.269 190 3HZ LYS 33 3HZ LYS 33 31.998 8.657 3.757 191 H THR 34 H THR 34 26.825 3.644 1.348 192 HA THR 34 HA THR 34 24.939 5.630 0.746 193 HB THR 34 HB THR 34 24.411 2.743 1.197 194 HG1 THR 34 HG1 THR 34 25.391 2.391 -0.654 195 H ARG 35 H ARG 35 25.240 3.432 3.460 196 HA ARG 35 HA ARG 35 22.961 4.040 4.846 197 1HB ARG 35 1HB ARG 35 24.384 2.343 5.715 198 2HB ARG 35 2HB ARG 35 25.755 3.434 5.817 199 1HG ARG 35 1HG ARG 35 23.369 4.056 7.472 200 2HG ARG 35 2HG ARG 35 24.381 2.706 7.950 201 1HD ARG 35 1HD ARG 35 26.288 4.106 8.069 202 2HD ARG 35 2HD ARG 35 25.398 5.453 7.384 203 HE ARG 35 HE ARG 35 23.969 4.949 9.588 204 1HH1 ARG 35 1HH1 ARG 35 27.423 5.285 9.121 205 1HH2 ARG 35 1HH2 ARG 35 24.331 5.824 11.670 206 2HH1 ARG 35 2HH1 ARG 35 27.699 5.958 10.695 207 2HH2 ARG 35 2HH2 ARG 35 25.946 6.253 12.148 208 H GLU 36 H GLU 36 25.978 5.796 4.774 209 HA GLU 36 HA GLU 36 25.162 7.836 6.595 210 1HB GLU 36 1HB GLU 36 27.411 7.682 4.642 211 2HB GLU 36 2HB GLU 36 27.196 9.013 5.746 212 1HG GLU 36 1HG GLU 36 27.736 7.755 7.567 213 2HG GLU 36 2HG GLU 36 27.350 6.239 6.765 214 H LYS 37 H LYS 37 25.238 7.388 3.168 215 HA LYS 37 HA LYS 37 24.715 9.875 2.132 216 1HB LYS 37 1HB LYS 37 25.180 7.870 0.787 217 2HB LYS 37 2HB LYS 37 23.637 7.196 1.270 218 1HG LYS 37 1HG LYS 37 22.675 9.370 0.258 219 2HG LYS 37 2HG LYS 37 24.196 9.391 -0.642 220 1HD LYS 37 1HD LYS 37 22.387 6.982 -0.515 221 2HD LYS 37 2HD LYS 37 22.236 8.230 -1.757 222 1HE LYS 37 1HE LYS 37 24.644 6.503 -1.232 223 2HE LYS 37 2HE LYS 37 23.538 6.374 -2.595 224 1HZ LYS 37 1HZ LYS 37 24.225 8.820 -2.996 225 2HZ LYS 37 2HZ LYS 37 25.578 8.423 -2.061 226 3HZ LYS 37 3HZ LYS 37 25.255 7.577 -3.487 227 H VAL 38 H VAL 38 22.474 7.549 3.346 228 HA VAL 38 HA VAL 38 20.219 9.264 2.787 229 HB VAL 38 HB VAL 38 18.844 7.551 2.871 230 H GLU 39 H GLU 39 22.050 8.186 5.610 231 HA GLU 39 HA GLU 39 20.234 9.032 7.557 232 1HB GLU 39 1HB GLU 39 23.223 8.672 7.515 233 2HB GLU 39 2HB GLU 39 22.346 9.138 8.952 234 1HG GLU 39 1HG GLU 39 20.951 6.954 8.061 235 2HG GLU 39 2HG GLU 39 22.625 6.542 7.701 236 H ALA 40 H ALA 40 22.871 10.593 5.850 237 HA ALA 40 HA ALA 40 22.754 13.044 7.172 238 1HB ALA 40 1HB ALA 40 24.628 12.427 5.738 239 2HB ALA 40 2HB ALA 40 23.574 12.486 4.326 240 3HB ALA 40 3HB ALA 40 23.929 13.962 5.223 241 H ALA 41 H ALA 41 21.090 11.815 4.361 242 HA ALA 41 HA ALA 41 19.693 14.128 3.636 243 1HB ALA 41 1HB ALA 41 19.005 11.215 3.261 244 2HB ALA 41 2HB ALA 41 18.153 12.551 2.483 245 3HB ALA 41 3HB ALA 41 19.854 12.260 2.121 246 H MET 42 H MET 42 18.905 11.408 5.722 247 HA MET 42 HA MET 42 16.339 12.057 6.472 248 1HB MET 42 1HB MET 42 18.566 10.738 8.003 249 2HB MET 42 2HB MET 42 16.937 10.872 8.623 250 1HG MET 42 1HG MET 42 16.096 9.519 6.798 251 2HG MET 42 2HG MET 42 17.724 9.429 6.111 252 1HE MET 42 1HE MET 42 15.806 6.924 6.865 253 2HE MET 42 2HE MET 42 17.379 6.732 6.095 254 3HE MET 42 3HE MET 42 16.989 5.805 7.546 255 H ALA 43 H ALA 43 19.388 13.029 7.749 256 HA ALA 43 HA ALA 43 18.558 14.378 10.050 257 1HB ALA 43 1HB ALA 43 21.036 14.815 8.413 258 2HB ALA 43 2HB ALA 43 20.835 13.602 9.680 259 3HB ALA 43 3HB ALA 43 20.793 15.317 10.089 260 H GLU 44 H GLU 44 19.370 15.711 6.864 261 HA GLU 44 HA GLU 44 19.116 18.393 7.520 262 1HB GLU 44 1HB GLU 44 18.495 17.142 4.886 263 2HB GLU 44 2HB GLU 44 18.975 18.798 5.177 264 1HG GLU 44 1HG GLU 44 21.041 17.528 6.299 265 2HG GLU 44 2HG GLU 44 20.566 16.351 5.081 266 H LEU 45 H LEU 45 16.806 16.185 6.151 267 HA LEU 45 HA LEU 45 14.672 18.070 6.102 268 1HB LEU 45 1HB LEU 45 14.339 15.106 5.918 269 2HB LEU 45 2HB LEU 45 13.453 16.375 5.116 270 HG LEU 45 HG LEU 45 16.326 16.106 4.429 271 H ASN 46 H ASN 46 15.883 15.806 8.401 272 HA ASN 46 HA ASN 46 15.316 15.286 10.525 273 1HB ASN 46 1HB ASN 46 14.709 17.593 10.917 274 2HB ASN 46 2HB ASN 46 13.169 17.329 10.143 275 1HD2 ASN 46 1HD2 ASN 46 15.116 16.553 12.891 276 1HD2 ASN 46 1HD2 ASN 46 13.802 16.178 13.943 277 H TYR 47 H TYR 47 14.917 13.486 8.996 278 HA TYR 47 HA TYR 47 12.280 12.676 8.348 279 1HB TYR 47 1HB TYR 47 14.119 11.876 7.007 280 2HB TYR 47 2HB TYR 47 14.886 11.161 8.418 281 HD1 TYR 47 HD1 TYR 47 11.608 10.979 6.628 282 HD2 TYR 47 HD2 TYR 47 14.657 8.882 8.723 283 HE1 TYR 47 HE1 TYR 47 10.408 8.868 6.260 284 HE2 TYR 47 HE2 TYR 47 13.462 6.778 8.358 285 HH TYR 47 HH TYR 47 10.676 6.576 6.279 286 H ILE 48 H ILE 48 10.862 11.465 9.345 287 HA ILE 48 HA ILE 48 11.636 9.779 11.588 288 HB ILE 48 HB ILE 48 9.369 11.790 11.684 289 HA PRO 49 HA PRO 49 9.017 7.314 8.940 290 1HB PRO 49 1HB PRO 49 9.393 4.941 10.181 291 2HB PRO 49 2HB PRO 49 10.608 5.678 9.127 292 1HG PRO 49 1HG PRO 49 10.506 5.521 12.082 293 2HG PRO 49 2HG PRO 49 11.907 5.515 11.003 294 1HD PRO 49 1HD PRO 49 10.969 7.699 12.471 295 2HD PRO 49 2HD PRO 49 12.100 7.781 11.114 296 H ASN 50 H ASN 50 7.138 5.644 9.340 297 HA ASN 50 HA ASN 50 5.606 6.679 11.593 298 1HB ASN 50 1HB ASN 50 4.963 6.055 8.769 299 2HB ASN 50 2HB ASN 50 3.759 5.545 9.957 300 1HD2 ASN 50 1HD2 ASN 50 4.254 7.810 7.865 301 1HD2 ASN 50 1HD2 ASN 50 3.633 9.194 8.701 302 H ARG 51 H ARG 51 5.077 5.284 13.115 303 HA ARG 51 HA ARG 51 6.227 2.779 13.326 304 1HB ARG 51 1HB ARG 51 5.128 4.400 15.078 305 2HB ARG 51 2HB ARG 51 3.744 3.353 14.825 306 1HG ARG 51 1HG ARG 51 4.970 2.568 16.725 307 2HG ARG 51 2HG ARG 51 5.157 1.408 15.415 308 1HD ARG 51 1HD ARG 51 7.252 3.153 15.052 309 2HD ARG 51 2HD ARG 51 7.144 2.987 16.798 310 HE ARG 51 HE ARG 51 7.052 0.444 16.074 311 1HH1 ARG 51 1HH1 ARG 51 9.175 2.997 14.963 312 1HH2 ARG 51 1HH2 ARG 51 8.800 -0.963 15.632 313 2HH1 ARG 51 2HH1 ARG 51 10.491 1.922 14.619 314 2HH2 ARG 51 2HH2 ARG 51 10.280 -0.315 15.001 315 H CYS 52 H CYS 52 3.158 3.595 11.861 316 HA CYS 52 HA CYS 52 2.181 0.873 12.021 317 1HB CYS 52 1HB CYS 52 0.888 3.226 11.942 318 2HB CYS 52 2HB CYS 52 0.905 2.836 10.225 319 H ALA 53 H ALA 53 3.099 3.098 9.462 320 HA ALA 53 HA ALA 53 2.978 1.406 7.321 321 1HB ALA 53 1HB ALA 53 3.539 3.786 7.157 322 2HB ALA 53 2HB ALA 53 5.139 3.455 7.821 323 3HB ALA 53 3HB ALA 53 4.677 2.787 6.255 324 H GLN 54 H GLN 54 5.519 1.658 9.739 325 HA GLN 54 HA GLN 54 7.305 -0.198 8.575 326 1HB GLN 54 1HB GLN 54 6.981 0.743 11.425 327 2HB GLN 54 2HB GLN 54 8.348 -0.169 10.811 328 1HG GLN 54 1HG GLN 54 8.552 1.761 9.099 329 2HG GLN 54 2HG GLN 54 7.576 2.648 10.261 330 H GLN 55 H GLN 55 4.782 -0.391 11.008 331 HA GLN 55 HA GLN 55 5.153 -3.087 11.727 332 1HB GLN 55 1HB GLN 55 2.891 -1.159 11.962 333 2HB GLN 55 2HB GLN 55 2.630 -2.844 12.364 334 1HG GLN 55 1HG GLN 55 4.006 -0.747 13.817 335 2HG GLN 55 2HG GLN 55 3.287 -2.250 14.409 336 H LEU 56 H LEU 56 2.910 -1.576 9.448 337 HA LEU 56 HA LEU 56 1.698 -3.927 8.526 338 1HB LEU 56 1HB LEU 56 1.148 -1.408 8.195 339 2HB LEU 56 2HB LEU 56 2.182 -1.545 6.784 340 HG LEU 56 HG LEU 56 0.714 -3.266 5.857 341 H ALA 57 H ALA 57 4.054 -1.976 6.857 342 HA ALA 57 HA ALA 57 4.707 -3.762 4.842 343 1HB ALA 57 1HB ALA 57 5.353 -1.376 4.857 344 2HB ALA 57 2HB ALA 57 6.630 -1.759 6.009 345 3HB ALA 57 3HB ALA 57 6.670 -2.450 4.388 346 H GLY 58 H GLY 58 5.903 -3.710 8.116 347 1HA GLY 58 1HA GLY 58 7.522 -5.004 9.160 348 2HA GLY 58 2HA GLY 58 8.031 -5.581 7.576 349 H LYS 59 H LYS 59 4.711 -5.833 7.936 350 HA LYS 59 HA LYS 59 4.834 -8.535 9.028 351 1HB LYS 59 1HB LYS 59 3.205 -6.620 9.800 352 2HB LYS 59 2HB LYS 59 2.284 -7.153 8.408 353 1HG LYS 59 1HG LYS 59 2.440 -9.489 9.401 354 2HG LYS 59 2HG LYS 59 2.973 -8.687 10.880 355 1HD LYS 59 1HD LYS 59 0.649 -8.938 11.137 356 2HD LYS 59 2HD LYS 59 0.871 -7.256 10.652 357 1HE LYS 59 1HE LYS 59 -0.971 -8.219 9.423 358 2HE LYS 59 2HE LYS 59 0.370 -7.886 8.328 359 1HZ LYS 59 1HZ LYS 59 -0.074 -10.549 9.528 360 2HZ LYS 59 2HZ LYS 59 -0.767 -10.092 8.057 361 3HZ LYS 59 3HZ LYS 59 0.914 -10.151 8.213 362 H GLN 60 H GLN 60 5.716 -7.891 6.332 363 HA GLN 60 HA GLN 60 3.733 -8.556 4.455 364 1HB GLN 60 1HB GLN 60 6.650 -8.261 4.400 365 2HB GLN 60 2HB GLN 60 5.906 -9.122 3.087 366 1HG GLN 60 1HG GLN 60 4.500 -7.222 2.629 367 2HG GLN 60 2HG GLN 60 5.235 -6.361 3.969 368 H SER 61 H SER 61 4.279 -10.365 2.837 369 HA SER 61 HA SER 61 5.100 -12.863 4.003 370 1HB SER 61 1HB SER 61 2.250 -12.515 3.116 371 2HB SER 61 2HB SER 61 2.975 -14.012 3.677 372 HG SER 61 HG SER 61 3.407 -12.148 5.516 373 H LEU 62 H LEU 62 6.080 -11.330 1.897 374 HA LEU 62 HA LEU 62 5.075 -12.399 -0.591 375 1HB LEU 62 1HB LEU 62 6.149 -10.045 -0.085 376 2HB LEU 62 2HB LEU 62 7.651 -10.903 -0.359 377 HG LEU 62 HG LEU 62 6.734 -11.595 -2.612 378 H1 MET 101 H1 MET 101 -5.218 -21.629 8.920 379 H2 MET 101 H2 MET 101 -6.149 -22.017 7.564 380 H3 MET 101 H3 MET 101 -5.370 -23.239 8.426 381 HA MET 101 HA MET 101 -3.230 -22.449 7.780 382 1HB MET 101 1HB MET 101 -5.284 -23.001 5.699 383 2HB MET 101 2HB MET 101 -3.707 -22.446 5.154 384 1HG MET 101 1HG MET 101 -4.287 -24.880 6.821 385 2HG MET 101 2HG MET 101 -3.777 -24.843 5.135 386 1HE MET 101 1HE MET 101 -1.370 -24.246 4.314 387 2HE MET 101 2HE MET 101 -1.537 -22.648 5.042 388 3HE MET 101 3HE MET 101 -0.100 -23.620 5.362 389 H LYS 102 H LYS 102 -5.688 -20.566 6.004 390 HA LYS 102 HA LYS 102 -3.804 -18.308 6.008 391 1HB LYS 102 1HB LYS 102 -5.237 -17.453 4.106 392 2HB LYS 102 2HB LYS 102 -4.296 -18.897 3.763 393 1HG LYS 102 1HG LYS 102 -6.155 -20.258 3.701 394 2HG LYS 102 2HG LYS 102 -7.118 -19.164 4.693 395 1HD LYS 102 1HD LYS 102 -6.207 -18.498 1.900 396 2HD LYS 102 2HD LYS 102 -7.750 -19.275 2.253 397 1HE LYS 102 1HE LYS 102 -8.299 -17.354 3.736 398 2HE LYS 102 2HE LYS 102 -6.819 -16.569 3.191 399 1HZ LYS 102 1HZ LYS 102 -8.984 -17.435 1.362 400 2HZ LYS 102 2HZ LYS 102 -8.878 -15.875 2.013 401 3HZ LYS 102 3HZ LYS 102 -7.655 -16.453 0.989 402 HA PRO 103 HA PRO 103 -6.620 -16.267 8.756 403 1HB PRO 103 1HB PRO 103 -5.549 -13.718 7.867 404 2HB PRO 103 2HB PRO 103 -5.392 -14.500 9.440 405 1HG PRO 103 1HG PRO 103 -3.310 -14.219 7.722 406 2HG PRO 103 2HG PRO 103 -3.449 -15.578 8.854 407 1HD PRO 103 1HD PRO 103 -4.036 -15.475 5.924 408 2HD PRO 103 2HD PRO 103 -3.269 -16.761 6.880 409 H VAL 104 H VAL 104 -8.146 -14.361 8.732 410 HA VAL 104 HA VAL 104 -9.546 -14.340 6.168 411 HB VAL 104 HB VAL 104 -10.682 -13.225 8.687 412 H THR 105 H THR 105 -10.311 -12.421 5.289 413 HA THR 105 HA THR 105 -9.378 -9.900 6.439 414 HB THR 105 HB THR 105 -8.481 -9.275 4.085 415 HG1 THR 105 HG1 THR 105 -7.435 -11.489 3.364 416 H LEU 106 H LEU 106 -9.974 -8.102 4.717 417 HA LEU 106 HA LEU 106 -12.837 -8.286 4.510 418 1HB LEU 106 1HB LEU 106 -12.137 -6.155 2.883 419 2HB LEU 106 2HB LEU 106 -12.675 -6.071 4.546 420 HG LEU 106 HG LEU 106 -10.154 -6.351 5.103 421 H TYR 107 H TYR 107 -10.190 -9.041 2.509 422 HA TYR 107 HA TYR 107 -11.400 -8.888 -0.026 423 1HB TYR 107 1HB TYR 107 -9.024 -10.273 1.144 424 2HB TYR 107 2HB TYR 107 -9.595 -10.781 -0.439 425 HD1 TYR 107 HD1 TYR 107 -9.486 -9.256 -2.347 426 HD2 TYR 107 HD2 TYR 107 -7.933 -8.153 1.455 427 HE1 TYR 107 HE1 TYR 107 -8.220 -7.430 -3.399 428 HE2 TYR 107 HE2 TYR 107 -6.669 -6.326 0.413 429 HH TYR 107 HH TYR 107 -5.771 -6.059 -2.352 430 H ASP 108 H ASP 108 -11.176 -11.370 2.425 431 HA ASP 108 HA ASP 108 -12.332 -13.449 0.884 432 1HB ASP 108 1HB ASP 108 -11.390 -13.053 3.651 433 2HB ASP 108 2HB ASP 108 -12.751 -14.166 3.511 434 H VAL 109 H VAL 109 -13.635 -11.410 3.498 435 HA VAL 109 HA VAL 109 -16.215 -12.486 3.145 436 HB VAL 109 HB VAL 109 -16.709 -11.504 5.036 437 H ALA 110 H ALA 110 -14.528 -9.953 1.525 438 HA ALA 110 HA ALA 110 -16.845 -8.725 0.373 439 1HB ALA 110 1HB ALA 110 -14.011 -8.715 -0.670 440 2HB ALA 110 2HB ALA 110 -15.310 -7.623 -1.150 441 3HB ALA 110 3HB ALA 110 -14.669 -7.562 0.492 442 H GLU 111 H GLU 111 -14.716 -11.334 -0.377 443 HA GLU 111 HA GLU 111 -15.575 -11.867 -3.034 444 1HB GLU 111 1HB GLU 111 -13.695 -12.865 -1.141 445 2HB GLU 111 2HB GLU 111 -14.630 -14.224 -1.734 446 1HG GLU 111 1HG GLU 111 -13.371 -12.224 -3.581 447 2HG GLU 111 2HG GLU 111 -12.508 -13.633 -2.985 448 H TYR 112 H TYR 112 -16.298 -13.047 0.135 449 HA TYR 112 HA TYR 112 -18.180 -15.045 -0.397 450 1HB TYR 112 1HB TYR 112 -16.891 -13.923 1.736 451 2HB TYR 112 2HB TYR 112 -18.543 -13.433 1.995 452 HD1 TYR 112 HD1 TYR 112 -16.812 -16.574 0.938 453 HD2 TYR 112 HD2 TYR 112 -19.696 -14.722 3.441 454 HE1 TYR 112 HE1 TYR 112 -17.314 -18.753 1.960 455 HE2 TYR 112 HE2 TYR 112 -20.207 -16.865 4.466 456 HH TYR 112 HH TYR 112 -19.825 -19.068 4.481 457 H ALA 113 H ALA 113 -18.619 -11.812 0.795 458 HA ALA 113 HA ALA 113 -21.386 -11.694 0.620 459 1HB ALA 113 1HB ALA 113 -20.336 -10.166 2.034 460 2HB ALA 113 2HB ALA 113 -21.039 -9.194 0.741 461 3HB ALA 113 3HB ALA 113 -19.312 -9.547 0.738 462 H GLY 114 H GLY 114 -19.044 -11.392 -1.855 463 1HA GLY 114 1HA GLY 114 -21.111 -11.114 -3.845 464 2HA GLY 114 2HA GLY 114 -19.388 -11.313 -4.140 465 H VAL 115 H VAL 115 -18.412 -9.180 -2.660 466 HA VAL 115 HA VAL 115 -19.301 -6.916 -4.266 467 HB VAL 115 HB VAL 115 -19.114 -5.418 -2.294 468 H SER 116 H SER 116 -17.567 -5.066 -3.106 469 HA SER 116 HA SER 116 -14.957 -6.250 -3.764 470 1HB SER 116 1HB SER 116 -14.215 -4.076 -4.431 471 2HB SER 116 2HB SER 116 -15.802 -4.301 -5.161 472 HG SER 116 HG SER 116 -16.685 -2.938 -3.684 473 H VAL 117 H VAL 117 -13.156 -4.798 -2.629 474 HA VAL 117 HA VAL 117 -13.500 -5.296 0.160 475 HB VAL 117 HB VAL 117 -11.214 -4.499 0.370 476 H ALA 118 H ALA 118 -14.156 -2.777 -1.952 477 HA ALA 118 HA ALA 118 -13.816 -0.623 -0.126 478 1HB ALA 118 1HB ALA 118 -15.383 -0.770 -2.686 479 2HB ALA 118 2HB ALA 118 -15.042 0.704 -1.780 480 3HB ALA 118 3HB ALA 118 -13.721 -0.208 -2.512 481 H THR 119 H THR 119 -16.433 -2.784 -1.092 482 HA THR 119 HA THR 119 -18.482 -1.374 0.244 483 HB THR 119 HB THR 119 -18.700 -4.306 -0.035 484 HG1 THR 119 HG1 THR 119 -19.005 -3.004 -2.440 485 H VAL 120 H VAL 120 -16.509 -4.144 1.075 486 HA VAL 120 HA VAL 120 -17.561 -4.579 3.649 487 HB VAL 120 HB VAL 120 -14.909 -5.371 2.463 488 H SER 121 H SER 121 -14.702 -2.728 2.613 489 HA SER 121 HA SER 121 -13.732 -2.110 5.131 490 1HB SER 121 1HB SER 121 -12.616 -1.655 2.913 491 2HB SER 121 2HB SER 121 -13.676 -0.257 2.749 492 HG SER 121 HG SER 121 -12.014 -0.679 4.997 493 H ARG 122 H ARG 122 -16.378 -0.702 3.255 494 HA ARG 122 HA ARG 122 -16.721 1.525 4.965 495 1HB ARG 122 1HB ARG 122 -18.738 0.156 3.230 496 2HB ARG 122 2HB ARG 122 -18.941 1.710 3.986 497 1HG ARG 122 1HG ARG 122 -16.733 1.142 2.044 498 2HG ARG 122 2HG ARG 122 -18.298 1.790 1.569 499 1HD ARG 122 1HD ARG 122 -17.827 3.554 3.423 500 2HD ARG 122 2HD ARG 122 -16.152 3.041 3.234 501 HE ARG 122 HE ARG 122 -17.052 3.599 0.694 502 1HH1 ARG 122 1HH1 ARG 122 -16.705 5.329 3.713 503 1HH2 ARG 122 1HH2 ARG 122 -16.803 5.664 -0.314 504 2HH1 ARG 122 2HH1 ARG 122 -16.523 6.880 2.956 505 2HH2 ARG 122 2HH2 ARG 122 -16.567 7.070 0.674 506 H VAL 123 H VAL 123 -18.159 -1.687 4.854 507 HA VAL 123 HA VAL 123 -19.940 -1.257 7.029 508 HB VAL 123 HB VAL 123 -18.810 -3.868 6.035 509 H VAL 124 H VAL 124 -16.697 -2.537 6.688 510 HA VAL 124 HA VAL 124 -16.155 -3.172 9.352 511 HB VAL 124 HB VAL 124 -14.577 -2.495 6.915 512 H ASN 125 H ASN 125 -16.122 -0.248 7.521 513 HA ASN 125 HA ASN 125 -15.080 1.423 9.655 514 1HB ASN 125 1HB ASN 125 -15.856 1.809 6.819 515 2HB ASN 125 2HB ASN 125 -16.040 3.209 7.867 516 1HD2 ASN 125 1HD2 ASN 125 -13.850 1.027 6.346 517 1HD2 ASN 125 1HD2 ASN 125 -12.396 1.918 6.694 518 H GLN 126 H GLN 126 -17.751 -0.132 9.537 519 HA GLN 126 HA GLN 126 -19.516 0.009 10.971 520 1HB GLN 126 1HB GLN 126 -18.816 2.884 11.049 521 2HB GLN 126 2HB GLN 126 -20.409 2.369 11.565 522 1HG GLN 126 1HG GLN 126 -18.245 2.534 13.155 523 2HG GLN 126 2HG GLN 126 -19.644 1.528 13.490 524 H ALA 127 H ALA 127 -19.127 2.003 8.178 525 HA ALA 127 HA ALA 127 -20.253 1.618 6.192 526 1HB ALA 127 1HB ALA 127 -21.798 -0.059 6.966 527 2HB ALA 127 2HB ALA 127 -22.699 1.150 7.883 528 3HB ALA 127 3HB ALA 127 -22.671 1.221 6.121 529 H SER 128 H SER 128 -21.413 3.229 5.054 530 HA SER 128 HA SER 128 -22.254 5.601 6.396 531 1HB SER 128 1HB SER 128 -19.752 5.767 4.747 532 2HB SER 128 2HB SER 128 -20.544 7.109 5.560 533 HG SER 128 HG SER 128 -20.120 5.332 7.421 534 H HIS 129 H HIS 129 -21.448 3.873 3.527 535 HA HIS 129 HA HIS 129 -23.559 5.302 2.105 536 1HB HIS 129 1HB HIS 129 -20.721 5.060 1.281 537 2HB HIS 129 2HB HIS 129 -21.906 4.708 0.028 538 HD1 HIS 129 HD1 HIS 129 -20.708 6.972 -0.977 539 HD2 HIS 129 HD2 HIS 129 -23.259 7.448 2.263 540 HE1 HIS 129 HE1 HIS 129 -21.379 9.391 -0.994 541 HE2 HIS 129 HE2 HIS 129 -22.801 9.684 1.058 542 H VAL 130 H VAL 130 -22.592 2.509 3.379 543 HA VAL 130 HA VAL 130 -23.234 0.664 1.306 544 HB VAL 130 HB VAL 130 -22.348 0.546 4.149 545 H SER 131 H SER 131 -25.225 -0.311 0.991 546 HA SER 131 HA SER 131 -27.460 0.866 2.254 547 1HB SER 131 1HB SER 131 -28.345 -1.483 1.021 548 2HB SER 131 2HB SER 131 -28.264 0.115 0.270 549 HG SER 131 HG SER 131 -26.992 -0.977 -1.051 550 H ALA 132 H ALA 132 -28.983 -0.199 3.672 551 HA ALA 132 HA ALA 132 -27.909 -1.465 5.870 552 1HB ALA 132 1HB ALA 132 -30.105 -0.394 5.853 553 2HB ALA 132 2HB ALA 132 -30.187 -2.023 6.522 554 3HB ALA 132 3HB ALA 132 -30.743 -1.719 4.879 555 H LYS 133 H LYS 133 -29.490 -2.997 3.079 556 HA LYS 133 HA LYS 133 -29.315 -5.618 3.998 557 1HB LYS 133 1HB LYS 133 -30.057 -4.317 1.585 558 2HB LYS 133 2HB LYS 133 -29.022 -5.683 1.199 559 1HG LYS 133 1HG LYS 133 -31.418 -5.879 2.999 560 2HG LYS 133 2HG LYS 133 -31.473 -6.167 1.264 561 1HD LYS 133 1HD LYS 133 -30.278 -8.122 1.407 562 2HD LYS 133 2HD LYS 133 -29.453 -7.638 2.886 563 1HE LYS 133 1HE LYS 133 -32.346 -8.457 2.642 564 2HE LYS 133 2HE LYS 133 -31.043 -9.437 3.316 565 1HZ LYS 133 1HZ LYS 133 -31.943 -6.827 4.419 566 2HZ LYS 133 2HZ LYS 133 -32.403 -8.336 5.023 567 3HZ LYS 133 3HZ LYS 133 -30.783 -7.858 5.103 568 H THR 134 H THR 134 -27.061 -3.765 2.036 569 HA THR 134 HA THR 134 -25.190 -5.801 1.611 570 HB THR 134 HB THR 134 -24.641 -2.888 1.793 571 HG1 THR 134 HG1 THR 134 -25.618 -2.711 -0.083 572 H ARG 135 H ARG 135 -25.462 -3.383 4.126 573 HA ARG 135 HA ARG 135 -23.190 -3.878 5.557 574 1HB ARG 135 1HB ARG 135 -24.577 -2.103 6.286 575 2HB ARG 135 2HB ARG 135 -25.974 -3.155 6.448 576 1HG ARG 135 1HG ARG 135 -23.622 -3.688 8.181 577 2HG ARG 135 2HG ARG 135 -24.634 -2.301 8.547 578 1HD ARG 135 1HD ARG 135 -26.556 -3.682 8.733 579 2HD ARG 135 2HD ARG 135 -25.663 -5.071 8.144 580 HE ARG 135 HE ARG 135 -24.265 -4.573 10.309 581 1HH1 ARG 135 1HH1 ARG 135 -27.755 -4.476 9.917 582 1HH2 ARG 135 1HH2 ARG 135 -24.689 -5.197 12.452 583 2HH1 ARG 135 2HH1 ARG 135 -28.073 -4.951 11.553 584 2HH2 ARG 135 2HH2 ARG 135 -26.326 -5.365 13.004 585 H GLU 136 H GLU 136 -26.174 -5.670 5.557 586 HA GLU 136 HA GLU 136 -25.361 -7.536 7.572 587 1HB GLU 136 1HB GLU 136 -27.633 -7.559 5.634 588 2HB GLU 136 2HB GLU 136 -27.386 -8.804 6.830 589 1HG GLU 136 1HG GLU 136 -27.870 -7.398 8.569 590 2HG GLU 136 2HG GLU 136 -27.588 -5.954 7.611 591 H LYS 137 H LYS 137 -25.444 -7.371 4.124 592 HA LYS 137 HA LYS 137 -24.918 -9.929 3.277 593 1HB LYS 137 1HB LYS 137 -25.413 -8.011 1.807 594 2HB LYS 137 2HB LYS 137 -23.855 -7.313 2.207 595 1HG LYS 137 1HG LYS 137 -22.929 -9.559 1.322 596 2HG LYS 137 2HG LYS 137 -24.476 -9.630 0.464 597 1HD LYS 137 1HD LYS 137 -22.589 -7.275 0.375 598 2HD LYS 137 2HD LYS 137 -22.597 -8.571 -0.825 599 1HE LYS 137 1HE LYS 137 -24.872 -6.703 -0.183 600 2HE LYS 137 2HE LYS 137 -23.854 -6.647 -1.613 601 1HZ LYS 137 1HZ LYS 137 -24.685 -8.853 -2.219 602 2HZ LYS 137 2HZ LYS 137 -25.727 -8.832 -0.886 603 3HZ LYS 137 3HZ LYS 137 -25.924 -7.709 -2.131 604 H VAL 138 H VAL 138 -22.672 -7.501 4.279 605 HA VAL 138 HA VAL 138 -20.426 -9.264 3.846 606 HB VAL 138 HB VAL 138 -19.047 -7.550 3.754 607 H GLU 139 H GLU 139 -22.198 -7.929 6.604 608 HA GLU 139 HA GLU 139 -20.365 -8.614 8.584 609 1HB GLU 139 1HB GLU 139 -23.353 -8.260 8.545 610 2HB GLU 139 2HB GLU 139 -22.477 -8.641 10.008 611 1HG GLU 139 1HG GLU 139 -21.069 -6.531 8.996 612 2HG GLU 139 2HG GLU 139 -22.736 -6.130 8.585 613 H ALA 140 H ALA 140 -22.996 -10.322 7.031 614 HA ALA 140 HA ALA 140 -22.877 -12.652 8.564 615 1HB ALA 140 1HB ALA 140 -23.673 -12.412 5.670 616 2HB ALA 140 2HB ALA 140 -24.738 -12.124 7.045 617 3HB ALA 140 3HB ALA 140 -24.085 -13.736 6.757 618 H ALA 141 H ALA 141 -21.207 -11.675 5.664 619 HA ALA 141 HA ALA 141 -19.805 -14.050 5.168 620 1HB ALA 141 1HB ALA 141 -20.006 -12.343 3.469 621 2HB ALA 141 2HB ALA 141 -18.300 -12.618 3.824 622 3HB ALA 141 3HB ALA 141 -19.115 -11.197 4.473 623 H MET 142 H MET 142 -18.992 -11.113 6.939 624 HA MET 142 HA MET 142 -16.412 -11.670 7.704 625 1HB MET 142 1HB MET 142 -18.626 -10.248 9.166 626 2HB MET 142 2HB MET 142 -16.976 -10.279 9.733 627 1HG MET 142 1HG MET 142 -16.230 -9.026 7.830 628 2HG MET 142 2HG MET 142 -17.836 -9.137 7.091 629 1HE MET 142 1HE MET 142 -15.987 -6.459 7.804 630 2HE MET 142 2HE MET 142 -17.460 -6.387 6.840 631 3HE MET 142 3HE MET 142 -17.273 -5.331 8.241 632 H ALA 143 H ALA 143 -19.408 -12.475 9.142 633 HA ALA 143 HA ALA 143 -18.582 -13.580 11.561 634 1HB ALA 143 1HB ALA 143 -20.828 -14.555 11.671 635 2HB ALA 143 2HB ALA 143 -21.079 -14.106 9.983 636 3HB ALA 143 3HB ALA 143 -20.843 -12.853 11.204 637 H GLU 144 H GLU 144 -19.415 -15.238 8.543 638 HA GLU 144 HA GLU 144 -19.169 -17.847 9.467 639 1HB GLU 144 1HB GLU 144 -18.578 -16.833 6.727 640 2HB GLU 144 2HB GLU 144 -19.004 -18.473 7.160 641 1HG GLU 144 1HG GLU 144 -21.114 -17.176 8.160 642 2HG GLU 144 2HG GLU 144 -20.669 -16.101 6.837 643 H LEU 145 H LEU 145 -16.878 -15.801 7.824 644 HA LEU 145 HA LEU 145 -14.761 -17.699 7.879 645 1HB LEU 145 1HB LEU 145 -14.446 -14.751 7.452 646 2HB LEU 145 2HB LEU 145 -13.552 -16.071 6.742 647 HG LEU 145 HG LEU 145 -16.443 -15.867 6.090 648 H ASN 146 H ASN 146 -15.878 -15.217 9.979 649 HA ASN 146 HA ASN 146 -15.295 -14.577 12.072 650 1HB ASN 146 1HB ASN 146 -14.577 -16.886 12.520 651 2HB ASN 146 2HB ASN 146 -13.030 -16.511 11.806 652 1HD2 ASN 146 1HD2 ASN 146 -15.098 -16.048 14.504 653 1HD2 ASN 146 1HD2 ASN 146 -13.883 -15.464 15.581 654 H TYR 147 H TYR 147 -14.973 -12.916 10.315 655 HA TYR 147 HA TYR 147 -12.392 -12.085 9.542 656 1HB TYR 147 1HB TYR 147 -14.339 -11.427 8.248 657 2HB TYR 147 2HB TYR 147 -15.008 -10.598 9.648 658 HD1 TYR 147 HD1 TYR 147 -11.781 -10.577 7.749 659 HD2 TYR 147 HD2 TYR 147 -14.804 -8.308 9.698 660 HE1 TYR 147 HE1 TYR 147 -10.586 -8.501 7.186 661 HE2 TYR 147 HE2 TYR 147 -13.620 -6.245 9.138 662 HH TYR 147 HH TYR 147 -10.847 -6.217 7.024 663 H ILE 148 H ILE 148 -10.930 -10.860 10.487 664 HA ILE 148 HA ILE 148 -11.719 -8.988 12.577 665 HB ILE 148 HB ILE 148 -9.378 -10.899 12.802 666 HA PRO 149 HA PRO 149 -9.139 -6.707 9.730 667 1HB PRO 149 1HB PRO 149 -9.538 -4.248 10.768 668 2HB PRO 149 2HB PRO 149 -10.764 -5.092 9.812 669 1HG PRO 149 1HG PRO 149 -10.606 -4.666 12.740 670 2HG PRO 149 2HG PRO 149 -12.026 -4.792 11.689 671 1HD PRO 149 1HD PRO 149 -10.982 -6.815 13.328 672 2HD PRO 149 2HD PRO 149 -12.176 -7.037 12.041 673 H ASN 150 H ASN 150 -7.277 -4.993 9.971 674 HA ASN 150 HA ASN 150 -5.700 -5.801 12.279 675 1HB ASN 150 1HB ASN 150 -5.137 -5.442 9.399 676 2HB ASN 150 2HB ASN 150 -3.941 -4.726 10.477 677 1HD2 ASN 150 1HD2 ASN 150 -4.567 -7.319 8.729 678 1HD2 ASN 150 1HD2 ASN 150 -3.724 -8.520 9.653 679 H ARG 151 H ARG 151 -5.235 -4.259 13.678 680 HA ARG 151 HA ARG 151 -6.418 -1.751 13.661 681 1HB ARG 151 1HB ARG 151 -5.300 -3.164 15.560 682 2HB ARG 151 2HB ARG 151 -3.904 -2.180 15.170 683 1HG ARG 151 1HG ARG 151 -5.056 -1.158 16.985 684 2HG ARG 151 2HG ARG 151 -5.287 -0.156 15.557 685 1HD ARG 151 1HD ARG 151 -7.404 -1.926 15.483 686 2HD ARG 151 2HD ARG 151 -7.228 -1.545 17.189 687 HE ARG 151 HE ARG 151 -7.220 0.885 16.279 688 1HH1 ARG 151 1HH1 ARG 151 -9.191 -1.782 15.139 689 1HH2 ARG 151 1HH2 ARG 151 -8.906 2.227 15.543 690 2HH1 ARG 151 2HH1 ARG 151 -10.471 -0.759 14.577 691 2HH2 ARG 151 2HH2 ARG 151 -10.308 1.520 14.802 692 H CYS 152 H CYS 152 -3.317 -2.705 12.356 693 HA CYS 152 HA CYS 152 -2.326 0.006 12.197 694 1HB CYS 152 1HB CYS 152 -1.017 -2.293 12.336 695 2HB CYS 152 2HB CYS 152 -1.174 -2.206 10.583 696 H ALA 153 H ALA 153 -3.275 -2.412 9.826 697 HA ALA 153 HA ALA 153 -3.173 -0.863 7.589 698 1HB ALA 153 1HB ALA 153 -5.300 -2.911 8.215 699 2HB ALA 153 2HB ALA 153 -4.884 -2.313 6.609 700 3HB ALA 153 3HB ALA 153 -3.707 -3.245 7.535 701 H GLN 154 H GLN 154 -5.691 -0.953 10.031 702 HA GLN 154 HA GLN 154 -7.503 0.783 8.718 703 1HB GLN 154 1HB GLN 154 -7.172 0.078 11.639 704 2HB GLN 154 2HB GLN 154 -8.536 0.942 10.955 705 1HG GLN 154 1HG GLN 154 -8.717 -1.135 9.397 706 2HG GLN 154 2HG GLN 154 -7.794 -1.916 10.673 707 H GLN 155 H GLN 155 -4.989 1.205 11.165 708 HA GLN 155 HA GLN 155 -5.338 3.953 11.612 709 1HB GLN 155 1HB GLN 155 -3.025 2.081 11.957 710 2HB GLN 155 2HB GLN 155 -2.832 3.794 12.268 711 1HG GLN 155 1HG GLN 155 -4.060 1.724 13.865 712 2HG GLN 155 2HG GLN 155 -3.470 3.318 14.347 713 H LEU 156 H LEU 156 -3.084 2.253 9.467 714 HA LEU 156 HA LEU 156 -1.889 4.513 8.325 715 1HB LEU 156 1HB LEU 156 -1.307 1.978 8.274 716 2HB LEU 156 2HB LEU 156 -2.330 1.944 6.851 717 HG LEU 156 HG LEU 156 -0.860 3.483 5.699 718 H ALA 157 H ALA 157 -4.190 2.360 6.805 719 HA ALA 157 HA ALA 157 -4.850 3.952 4.637 720 1HB ALA 157 1HB ALA 157 -5.468 1.587 4.793 721 2HB ALA 157 2HB ALA 157 -6.719 1.996 5.966 722 3HB ALA 157 3HB ALA 157 -6.830 2.596 4.311 723 H GLY 158 H GLY 158 -6.097 4.173 7.894 724 1HA GLY 158 1HA GLY 158 -7.741 5.527 8.792 725 2HA GLY 158 2HA GLY 158 -8.270 5.909 7.162 726 H LYS 159 H LYS 159 -4.958 6.329 7.536 727 HA LYS 159 HA LYS 159 -5.206 9.131 8.296 728 1HB LYS 159 1HB LYS 159 -3.572 7.397 9.386 729 2HB LYS 159 2HB LYS 159 -2.600 7.748 7.969 730 1HG LYS 159 1HG LYS 159 -2.902 10.214 8.633 731 2HG LYS 159 2HG LYS 159 -3.378 9.566 10.204 732 1HD LYS 159 1HD LYS 159 -1.081 9.935 10.438 733 2HD LYS 159 2HD LYS 159 -1.188 8.213 10.065 734 1HE LYS 159 1HE LYS 159 0.591 9.257 8.778 735 2HE LYS 159 2HE LYS 159 -0.697 8.702 7.710 736 1HZ LYS 159 1HZ LYS 159 -0.596 11.489 8.685 737 2HZ LYS 159 2HZ LYS 159 0.261 11.006 7.309 738 3HZ LYS 159 3HZ LYS 159 -1.423 10.871 7.344 739 H GLN 160 H GLN 160 -6.038 8.327 5.719 740 HA GLN 160 HA GLN 160 -4.008 8.740 3.799 741 1HB GLN 160 1HB GLN 160 -6.955 8.564 3.716 742 2HB GLN 160 2HB GLN 160 -6.088 9.105 2.312 743 1HG GLN 160 1HG GLN 160 -4.828 7.045 2.304 744 2HG GLN 160 2HG GLN 160 -5.720 6.506 3.713 745 H SER 161 H SER 161 -4.606 10.389 1.991 746 HA SER 161 HA SER 161 -5.488 12.967 2.890 747 1HB SER 161 1HB SER 161 -2.598 12.529 2.199 748 2HB SER 161 2HB SER 161 -3.350 14.112 2.330 749 HG SER 161 HG SER 161 -3.828 12.518 4.500 750 H LEU 162 H LEU 162 -6.536 11.349 0.977 751 HA LEU 162 HA LEU 162 -5.528 12.151 -1.626 752 1HB LEU 162 1HB LEU 162 -6.645 9.861 -0.820 753 2HB LEU 162 2HB LEU 162 -8.105 10.699 -1.314 754 HG LEU 162 HG LEU 162 -6.991 11.064 -3.563 No H/Q in entry = 754 Start of MODEL 7 1 H1 MET 1 H1 MET 1 -2.247 16.373 4.060 2 H2 MET 1 H2 MET 1 -2.256 16.109 5.735 3 H3 MET 1 H3 MET 1 -2.824 17.573 5.102 4 HA MET 1 HA MET 1 -0.710 18.289 4.481 5 1HB MET 1 1HB MET 1 -1.164 18.433 6.916 6 2HB MET 1 2HB MET 1 -0.427 16.852 7.136 7 1HG MET 1 1HG MET 1 1.682 17.831 6.164 8 2HG MET 1 2HG MET 1 0.909 19.408 6.294 9 1HE MET 1 1HE MET 1 1.182 16.160 8.402 10 2HE MET 1 2HE MET 1 2.879 16.611 8.254 11 3HE MET 1 3HE MET 1 2.079 16.689 9.823 12 H LYS 2 H LYS 2 0.989 17.757 3.286 13 HA LYS 2 HA LYS 2 1.799 14.963 3.161 14 1HB LYS 2 1HB LYS 2 1.285 16.341 1.093 15 2HB LYS 2 2HB LYS 2 2.753 17.249 1.427 16 1HG LYS 2 1HG LYS 2 2.992 14.303 1.287 17 2HG LYS 2 2HG LYS 2 2.696 15.171 -0.223 18 1HD LYS 2 1HD LYS 2 4.663 16.458 0.022 19 2HD LYS 2 2HD LYS 2 4.869 15.954 1.702 20 1HE LYS 2 1HE LYS 2 5.008 13.562 0.667 21 2HE LYS 2 2HE LYS 2 5.402 14.440 -0.816 22 1HZ LYS 2 1HZ LYS 2 6.837 14.717 1.769 23 2HZ LYS 2 2HZ LYS 2 7.391 13.821 0.445 24 3HZ LYS 2 3HZ LYS 2 7.232 15.502 0.324 25 HA PRO 3 HA PRO 3 5.287 16.287 5.742 26 1HB PRO 3 1HB PRO 3 5.530 13.573 6.600 27 2HB PRO 3 2HB PRO 3 4.885 14.938 7.507 28 1HG PRO 3 1HG PRO 3 3.394 12.788 6.670 29 2HG PRO 3 2HG PRO 3 2.728 14.390 7.032 30 1HD PRO 3 1HD PRO 3 3.417 13.180 4.380 31 2HD PRO 3 2HD PRO 3 2.016 14.172 4.844 32 H VAL 4 H VAL 4 7.401 14.814 6.230 33 HA VAL 4 HA VAL 4 8.584 14.352 3.640 34 HB VAL 4 HB VAL 4 9.899 13.852 6.288 35 H THR 5 H THR 5 9.622 12.329 3.084 36 HA THR 5 HA THR 5 8.836 10.019 4.689 37 HB THR 5 HB THR 5 7.924 8.919 2.521 38 HG1 THR 5 HG1 THR 5 8.114 11.606 1.817 39 H LEU 6 H LEU 6 9.419 7.972 3.205 40 HA LEU 6 HA LEU 6 12.283 8.140 3.022 41 1HB LEU 6 1HB LEU 6 11.519 5.754 1.752 42 2HB LEU 6 2HB LEU 6 12.158 5.951 3.369 43 HG LEU 6 HG LEU 6 9.586 6.445 3.881 44 H TYR 7 H TYR 7 9.640 8.438 0.801 45 HA TYR 7 HA TYR 7 11.026 7.910 -1.595 46 1HB TYR 7 1HB TYR 7 8.568 9.506 -0.915 47 2HB TYR 7 2HB TYR 7 9.197 9.449 -2.555 48 HD1 TYR 7 HD1 TYR 7 7.599 7.541 0.121 49 HD2 TYR 7 HD2 TYR 7 8.998 7.446 -3.894 50 HE1 TYR 7 HE1 TYR 7 6.342 5.460 -0.268 51 HE2 TYR 7 HE2 TYR 7 7.751 5.366 -4.289 52 HH TYR 7 HH TYR 7 6.879 3.447 -2.871 53 H ASP 8 H ASP 8 10.615 10.743 0.400 54 HA ASP 8 HA ASP 8 11.665 12.644 -1.376 55 1HB ASP 8 1HB ASP 8 11.283 12.534 1.628 56 2HB ASP 8 2HB ASP 8 11.810 13.983 0.787 57 H VAL 9 H VAL 9 13.047 11.113 1.526 58 HA VAL 9 HA VAL 9 15.598 12.182 0.980 59 HB VAL 9 HB VAL 9 16.092 11.557 3.025 60 H ALA 10 H ALA 10 13.971 9.376 -0.174 61 HA ALA 10 HA ALA 10 16.311 7.997 -1.089 62 1HB ALA 10 1HB ALA 10 13.501 7.740 -2.157 63 2HB ALA 10 2HB ALA 10 14.820 6.584 -2.341 64 3HB ALA 10 3HB ALA 10 14.113 6.869 -0.748 65 H GLU 11 H GLU 11 14.115 10.377 -2.318 66 HA GLU 11 HA GLU 11 14.985 10.420 -5.026 67 1HB GLU 11 1HB GLU 11 13.026 11.634 -3.427 68 2HB GLU 11 2HB GLU 11 13.981 12.947 -4.071 69 1HG GLU 11 1HG GLU 11 12.801 10.774 -5.772 70 2HG GLU 11 2HG GLU 11 11.999 12.300 -5.436 71 H TYR 12 H TYR 12 15.669 12.117 -2.121 72 HA TYR 12 HA TYR 12 17.516 14.026 -2.982 73 1HB TYR 12 1HB TYR 12 16.246 13.311 -0.695 74 2HB TYR 12 2HB TYR 12 17.882 12.824 -0.346 75 HD1 TYR 12 HD1 TYR 12 16.163 15.778 -1.859 76 HD2 TYR 12 HD2 TYR 12 19.135 14.309 0.790 77 HE1 TYR 12 HE1 TYR 12 16.723 18.086 -1.218 78 HE2 TYR 12 HE2 TYR 12 19.704 16.583 1.436 79 HH TYR 12 HH TYR 12 19.443 18.762 0.978 80 H ALA 13 H ALA 13 18.052 11.090 -1.205 81 HA ALA 13 HA ALA 13 20.819 10.981 -1.412 82 1HB ALA 13 1HB ALA 13 18.789 8.860 -0.841 83 2HB ALA 13 2HB ALA 13 19.816 9.734 0.292 84 3HB ALA 13 3HB ALA 13 20.523 8.541 -0.800 85 H GLY 14 H GLY 14 18.469 10.162 -3.766 86 1HA GLY 14 1HA GLY 14 20.543 9.514 -5.661 87 2HA GLY 14 2HA GLY 14 18.816 9.602 -5.991 88 H VAL 15 H VAL 15 17.891 7.824 -4.085 89 HA VAL 15 HA VAL 15 18.809 5.270 -5.153 90 HB VAL 15 HB VAL 15 18.631 4.232 -2.911 91 H SER 16 H SER 16 17.069 3.734 -3.581 92 HA SER 16 HA SER 16 14.456 4.786 -4.433 93 1HB SER 16 1HB SER 16 13.706 2.579 -4.845 94 2HB SER 16 2HB SER 16 15.327 2.640 -5.536 95 HG SER 16 HG SER 16 16.103 1.484 -3.839 96 H VAL 17 H VAL 17 12.685 3.467 -3.053 97 HA VAL 17 HA VAL 17 13.092 4.391 -0.385 98 HB VAL 17 HB VAL 17 10.833 3.595 0.018 99 H ALA 18 H ALA 18 13.779 1.603 -2.095 100 HA ALA 18 HA ALA 18 13.492 -0.276 0.019 101 1HB ALA 18 1HB ALA 18 15.015 -0.393 -2.570 102 2HB ALA 18 2HB ALA 18 14.874 -1.744 -1.443 103 3HB ALA 18 3HB ALA 18 13.436 -1.093 -2.224 104 H THR 19 H THR 19 16.058 1.806 -1.260 105 HA THR 19 HA THR 19 18.097 0.688 0.344 106 HB THR 19 HB THR 19 18.448 3.477 -0.406 107 HG1 THR 19 HG1 THR 19 18.380 1.936 -2.685 108 H VAL 20 H VAL 20 16.015 3.477 0.568 109 HA VAL 20 HA VAL 20 17.013 4.481 2.995 110 HB VAL 20 HB VAL 20 14.361 4.912 1.645 111 H SER 21 H SER 21 14.163 2.373 2.396 112 HA SER 21 HA SER 21 13.342 2.235 5.050 113 1HB SER 21 1HB SER 21 12.963 0.508 2.643 114 2HB SER 21 2HB SER 21 12.520 -0.141 4.224 115 HG SER 21 HG SER 21 11.257 1.819 4.495 116 H ARG 22 H ARG 22 15.935 0.627 3.320 117 HA ARG 22 HA ARG 22 16.403 -1.355 5.278 118 1HB ARG 22 1HB ARG 22 18.131 -0.092 3.194 119 2HB ARG 22 2HB ARG 22 18.738 -1.317 4.285 120 1HG ARG 22 1HG ARG 22 16.285 -1.823 2.662 121 2HG ARG 22 2HG ARG 22 17.891 -2.052 1.976 122 1HD ARG 22 1HD ARG 22 18.376 -3.501 4.016 123 2HD ARG 22 2HD ARG 22 16.643 -3.452 4.325 124 HE ARG 22 HE ARG 22 17.325 -4.314 1.665 125 1HH1 ARG 22 1HH1 ARG 22 16.786 -5.313 4.975 126 1HH2 ARG 22 1HH2 ARG 22 16.911 -6.503 1.115 127 2HH1 ARG 22 2HH1 ARG 22 16.464 -6.967 4.561 128 2HH2 ARG 22 2HH2 ARG 22 16.541 -7.643 2.368 129 H VAL 23 H VAL 23 17.803 1.819 4.661 130 HA VAL 23 HA VAL 23 19.532 1.823 6.910 131 HB VAL 23 HB VAL 23 18.375 4.199 5.457 132 H VAL 24 H VAL 24 16.268 2.960 6.332 133 HA VAL 24 HA VAL 24 15.701 4.105 8.802 134 HB VAL 24 HB VAL 24 14.117 2.797 6.620 135 H ASN 25 H ASN 25 15.878 0.849 7.677 136 HA ASN 25 HA ASN 25 14.941 -0.250 10.231 137 1HB ASN 25 1HB ASN 25 15.458 -1.354 7.506 138 2HB ASN 25 2HB ASN 25 15.608 -2.451 8.870 139 1HD2 ASN 25 1HD2 ASN 25 13.491 -0.612 6.889 140 1HD2 ASN 25 1HD2 ASN 25 12.005 -1.243 7.539 141 H GLN 26 H GLN 26 17.522 1.226 9.802 142 HA GLN 26 HA GLN 26 19.624 1.193 10.597 143 1HB GLN 26 1HB GLN 26 19.509 -1.327 12.064 144 2HB GLN 26 2HB GLN 26 20.002 0.261 12.611 145 1HG GLN 26 1HG GLN 26 17.224 -0.818 12.404 146 2HG GLN 26 2HG GLN 26 18.107 -0.448 13.880 147 H ALA 27 H ALA 27 19.367 0.394 8.163 148 HA ALA 27 HA ALA 27 19.901 -0.933 6.437 149 1HB ALA 27 1HB ALA 27 22.416 -1.092 8.046 150 2HB ALA 27 2HB ALA 27 22.261 -1.249 6.295 151 3HB ALA 27 3HB ALA 27 21.885 0.285 7.080 152 H SER 28 H SER 28 21.296 -2.961 5.833 153 HA SER 28 HA SER 28 21.144 -5.254 7.459 154 1HB SER 28 1HB SER 28 19.367 -5.664 5.142 155 2HB SER 28 2HB SER 28 19.282 -6.374 6.744 156 HG SER 28 HG SER 28 18.631 -4.059 7.327 157 H HIS 29 H HIS 29 21.145 -3.875 4.270 158 HA HIS 29 HA HIS 29 23.531 -5.390 3.570 159 1HB HIS 29 1HB HIS 29 20.880 -5.703 2.304 160 2HB HIS 29 2HB HIS 29 22.216 -5.466 1.183 161 HD1 HIS 29 HD1 HIS 29 21.019 -8.088 0.849 162 HD2 HIS 29 HD2 HIS 29 23.845 -7.416 3.818 163 HE1 HIS 29 HE1 HIS 29 21.998 -10.336 1.373 164 HE2 HIS 29 HE2 HIS 29 23.587 -9.928 3.277 165 H VAL 30 H VAL 30 22.400 -2.499 4.070 166 HA VAL 30 HA VAL 30 23.047 -1.184 1.605 167 HB VAL 30 HB VAL 30 21.793 -0.411 4.157 168 H SER 31 H SER 31 24.959 -0.243 1.133 169 HA SER 31 HA SER 31 27.199 -0.913 2.684 170 1HB SER 31 1HB SER 31 27.830 1.234 0.910 171 2HB SER 31 2HB SER 31 28.162 -0.489 0.689 172 HG SER 31 HG SER 31 26.830 0.467 -0.982 173 H ALA 32 H ALA 32 28.573 0.449 3.886 174 HA ALA 32 HA ALA 32 27.407 2.155 5.686 175 1HB ALA 32 1HB ALA 32 30.270 2.176 4.750 176 2HB ALA 32 2HB ALA 32 29.594 1.204 6.057 177 3HB ALA 32 3HB ALA 32 29.674 2.959 6.212 178 H LYS 33 H LYS 33 29.022 3.047 2.649 179 HA LYS 33 HA LYS 33 28.852 5.798 2.919 180 1HB LYS 33 1HB LYS 33 29.404 3.933 0.813 181 2HB LYS 33 2HB LYS 33 28.477 5.297 0.211 182 1HG LYS 33 1HG LYS 33 30.943 5.638 1.877 183 2HG LYS 33 2HG LYS 33 30.995 5.485 0.127 184 1HD LYS 33 1HD LYS 33 29.943 7.513 -0.218 185 2HD LYS 33 2HD LYS 33 29.200 7.518 1.379 186 1HE LYS 33 1HE LYS 33 32.140 7.885 0.818 187 2HE LYS 33 2HE LYS 33 31.004 9.184 1.166 188 1HZ LYS 33 1HZ LYS 33 30.563 8.027 3.335 189 2HZ LYS 33 2HZ LYS 33 31.879 7.018 2.994 190 3HZ LYS 33 3HZ LYS 33 32.118 8.678 3.171 191 H THR 34 H THR 34 26.558 3.559 1.479 192 HA THR 34 HA THR 34 24.643 5.443 0.706 193 HB THR 34 HB THR 34 24.149 2.619 1.483 194 HG1 THR 34 HG1 THR 34 24.333 2.413 -0.946 195 H ARG 35 H ARG 35 24.965 3.549 3.647 196 HA ARG 35 HA ARG 35 22.687 4.307 4.964 197 1HB ARG 35 1HB ARG 35 24.145 2.693 5.965 198 2HB ARG 35 2HB ARG 35 25.479 3.835 6.029 199 1HG ARG 35 1HG ARG 35 22.974 4.372 7.563 200 2HG ARG 35 2HG ARG 35 24.175 3.256 8.185 201 1HD ARG 35 1HD ARG 35 25.854 4.992 8.028 202 2HD ARG 35 2HD ARG 35 24.644 6.095 7.408 203 HE ARG 35 HE ARG 35 23.573 6.101 9.546 204 1HH1 ARG 35 1HH1 ARG 35 26.705 4.518 9.499 205 1HH2 ARG 35 1HH2 ARG 35 23.878 6.303 11.774 206 2HH1 ARG 35 2HH1 ARG 35 26.948 4.681 11.210 207 2HH2 ARG 35 2HH2 ARG 35 25.322 5.690 12.515 208 H GLU 36 H GLU 36 25.710 6.015 4.678 209 HA GLU 36 HA GLU 36 24.985 8.265 6.273 210 1HB GLU 36 1HB GLU 36 27.060 8.068 4.131 211 2HB GLU 36 2HB GLU 36 26.950 9.346 5.309 212 1HG GLU 36 1HG GLU 36 27.738 8.039 6.986 213 2HG GLU 36 2HG GLU 36 27.243 6.544 6.198 214 H LYS 37 H LYS 37 24.938 7.456 2.920 215 HA LYS 37 HA LYS 37 24.344 9.810 1.630 216 1HB LYS 37 1HB LYS 37 24.867 7.648 0.547 217 2HB LYS 37 2HB LYS 37 23.310 7.030 1.062 218 1HG LYS 37 1HG LYS 37 22.369 9.054 -0.228 219 2HG LYS 37 2HG LYS 37 23.928 9.011 -1.062 220 1HD LYS 37 1HD LYS 37 22.071 6.648 -0.768 221 2HD LYS 37 2HD LYS 37 22.128 7.695 -2.192 222 1HE LYS 37 1HE LYS 37 24.277 5.875 -1.137 223 2HE LYS 37 2HE LYS 37 23.429 5.769 -2.672 224 1HZ LYS 37 1HZ LYS 37 24.486 7.863 -3.328 225 2HZ LYS 37 2HZ LYS 37 25.357 7.884 -1.883 226 3HZ LYS 37 3HZ LYS 37 25.618 6.652 -3.011 227 H VAL 38 H VAL 38 22.134 7.502 2.986 228 HA VAL 38 HA VAL 38 19.864 9.143 2.307 229 HB VAL 38 HB VAL 38 18.513 7.411 2.500 230 H GLU 39 H GLU 39 21.636 8.280 5.265 231 HA GLU 39 HA GLU 39 19.760 9.306 7.063 232 1HB GLU 39 1HB GLU 39 22.727 8.873 7.157 233 2HB GLU 39 2HB GLU 39 21.851 9.543 8.508 234 1HG GLU 39 1HG GLU 39 20.431 7.275 7.700 235 2HG GLU 39 2HG GLU 39 22.137 6.828 7.713 236 H ALA 40 H ALA 40 22.440 10.698 5.291 237 HA ALA 40 HA ALA 40 22.303 13.258 6.401 238 1HB ALA 40 1HB ALA 40 24.192 12.426 5.017 239 2HB ALA 40 2HB ALA 40 23.158 12.566 3.596 240 3HB ALA 40 3HB ALA 40 23.597 14.008 4.509 241 H ALA 41 H ALA 41 20.733 11.785 3.657 242 HA ALA 41 HA ALA 41 19.372 14.008 2.685 243 1HB ALA 41 1HB ALA 41 18.659 11.082 2.562 244 2HB ALA 41 2HB ALA 41 17.845 12.348 1.645 245 3HB ALA 41 3HB ALA 41 19.551 12.007 1.355 246 H MET 42 H MET 42 18.485 11.499 4.999 247 HA MET 42 HA MET 42 15.881 12.193 5.574 248 1HB MET 42 1HB MET 42 18.038 11.041 7.310 249 2HB MET 42 2HB MET 42 16.393 11.259 7.861 250 1HG MET 42 1HG MET 42 15.631 9.765 6.045 251 2HG MET 42 2HG MET 42 17.325 9.486 5.621 252 1HE MET 42 1HE MET 42 15.742 7.142 5.944 253 2HE MET 42 2HE MET 42 17.436 6.714 6.177 254 3HE MET 42 3HE MET 42 16.219 6.138 7.312 255 H ALA 43 H ALA 43 18.798 13.624 6.542 256 HA ALA 43 HA ALA 43 17.798 15.033 8.809 257 1HB ALA 43 1HB ALA 43 20.368 15.356 7.284 258 2HB ALA 43 2HB ALA 43 19.991 16.142 8.820 259 3HB ALA 43 3HB ALA 43 20.114 14.386 8.738 260 H GLU 44 H GLU 44 18.500 15.910 5.475 261 HA GLU 44 HA GLU 44 18.184 18.638 5.777 262 1HB GLU 44 1HB GLU 44 17.701 17.073 3.306 263 2HB GLU 44 2HB GLU 44 18.185 18.759 3.428 264 1HG GLU 44 1HG GLU 44 20.040 17.254 4.902 265 2HG GLU 44 2HG GLU 44 19.791 16.436 3.374 266 H LEU 45 H LEU 45 15.924 16.347 4.329 267 HA LEU 45 HA LEU 45 13.869 18.294 4.265 268 1HB LEU 45 1HB LEU 45 12.448 16.128 4.021 269 2HB LEU 45 2HB LEU 45 13.342 16.797 2.701 270 HG LEU 45 HG LEU 45 13.276 14.268 3.092 271 H ASN 46 H ASN 46 14.975 16.091 6.593 272 HA ASN 46 HA ASN 46 14.546 15.884 8.807 273 1HB ASN 46 1HB ASN 46 13.813 18.180 8.969 274 2HB ASN 46 2HB ASN 46 12.265 17.745 8.288 275 1HD2 ASN 46 1HD2 ASN 46 14.303 17.589 11.057 276 1HD2 ASN 46 1HD2 ASN 46 13.057 17.185 12.184 277 H TYR 47 H TYR 47 14.294 13.853 7.828 278 HA TYR 47 HA TYR 47 11.694 12.790 7.266 279 1HB TYR 47 1HB TYR 47 13.609 11.966 6.025 280 2HB TYR 47 2HB TYR 47 14.379 11.455 7.521 281 HD1 TYR 47 HD1 TYR 47 11.077 10.956 5.840 282 HD2 TYR 47 HD2 TYR 47 14.303 9.213 7.988 283 HE1 TYR 47 HE1 TYR 47 9.970 8.765 5.722 284 HE2 TYR 47 HE2 TYR 47 13.205 7.033 7.874 285 HH TYR 47 HH TYR 47 10.281 6.538 6.001 286 H ILE 48 H ILE 48 10.374 11.753 8.495 287 HA ILE 48 HA ILE 48 11.268 10.288 10.832 288 HB ILE 48 HB ILE 48 9.202 12.491 10.908 289 HA PRO 49 HA PRO 49 8.383 7.735 8.593 290 1HB PRO 49 1HB PRO 49 8.894 5.424 9.881 291 2HB PRO 49 2HB PRO 49 10.021 6.136 8.721 292 1HG PRO 49 1HG PRO 49 10.156 6.044 11.676 293 2HG PRO 49 2HG PRO 49 11.468 6.085 10.487 294 1HD PRO 49 1HD PRO 49 10.470 8.250 12.003 295 2HD PRO 49 2HD PRO 49 11.615 8.342 10.651 296 H ASN 50 H ASN 50 6.605 6.077 9.192 297 HA ASN 50 HA ASN 50 5.203 7.072 11.537 298 1HB ASN 50 1HB ASN 50 4.408 6.282 8.789 299 2HB ASN 50 2HB ASN 50 3.327 5.751 10.083 300 1HD2 ASN 50 1HD2 ASN 50 2.925 7.674 7.943 301 1HD2 ASN 50 1HD2 ASN 50 2.554 9.181 8.713 302 H ARG 51 H ARG 51 4.928 5.700 13.152 303 HA ARG 51 HA ARG 51 6.259 3.273 13.283 304 1HB ARG 51 1HB ARG 51 4.722 4.889 15.043 305 2HB ARG 51 2HB ARG 51 4.200 3.219 15.218 306 1HG ARG 51 1HG ARG 51 5.937 3.578 16.789 307 2HG ARG 51 2HG ARG 51 6.604 2.590 15.487 308 1HD ARG 51 1HD ARG 51 6.947 5.372 14.881 309 2HD ARG 51 2HD ARG 51 7.591 5.029 16.484 310 HE ARG 51 HE ARG 51 8.452 3.102 14.563 311 1HH1 ARG 51 1HH1 ARG 51 9.064 6.346 15.725 312 1HH2 ARG 51 1HH2 ARG 51 10.632 3.120 13.887 313 2HH1 ARG 51 2HH1 ARG 51 10.722 6.354 15.206 314 2HH2 ARG 51 2HH2 ARG 51 11.607 4.528 14.164 315 H CYS 52 H CYS 52 2.984 3.852 12.179 316 HA CYS 52 HA CYS 52 2.235 1.067 12.509 317 1HB CYS 52 1HB CYS 52 0.726 3.269 12.470 318 2HB CYS 52 2HB CYS 52 0.677 2.879 10.754 319 H ALA 53 H ALA 53 2.906 3.248 9.844 320 HA ALA 53 HA ALA 53 2.750 1.474 7.751 321 1HB ALA 53 1HB ALA 53 4.844 3.625 8.063 322 2HB ALA 53 2HB ALA 53 4.296 2.905 6.550 323 3HB ALA 53 3HB ALA 53 3.192 3.891 7.508 324 H GLN 54 H GLN 54 5.369 1.964 10.041 325 HA GLN 54 HA GLN 54 7.177 0.115 8.882 326 1HB GLN 54 1HB GLN 54 6.984 1.345 11.625 327 2HB GLN 54 2HB GLN 54 8.329 0.362 11.073 328 1HG GLN 54 1HG GLN 54 8.417 2.082 9.120 329 2HG GLN 54 2HG GLN 54 7.544 3.104 10.253 330 H GLN 55 H GLN 55 4.857 0.035 11.521 331 HA GLN 55 HA GLN 55 5.361 -2.567 12.448 332 1HB GLN 55 1HB GLN 55 3.105 -0.686 12.620 333 2HB GLN 55 2HB GLN 55 2.792 -2.347 13.069 334 1HG GLN 55 1HG GLN 55 4.690 -0.377 14.291 335 2HG GLN 55 2HG GLN 55 3.345 -1.218 15.046 336 H LEU 56 H LEU 56 3.137 -1.361 10.008 337 HA LEU 56 HA LEU 56 2.001 -3.831 9.290 338 1HB LEU 56 1HB LEU 56 1.321 -1.381 8.793 339 2HB LEU 56 2HB LEU 56 2.393 -1.533 7.408 340 HG LEU 56 HG LEU 56 1.036 -3.345 6.524 341 H ALA 57 H ALA 57 4.287 -1.887 7.475 342 HA ALA 57 HA ALA 57 5.027 -3.800 5.607 343 1HB ALA 57 1HB ALA 57 5.540 -1.383 5.442 344 2HB ALA 57 2HB ALA 57 6.829 -1.607 6.621 345 3HB ALA 57 3HB ALA 57 6.915 -2.416 5.057 346 H GLY 58 H GLY 58 6.291 -3.326 8.837 347 1HA GLY 58 1HA GLY 58 7.984 -4.414 9.978 348 2HA GLY 58 2HA GLY 58 8.498 -5.132 8.456 349 H LYS 59 H LYS 59 5.251 -5.612 8.758 350 HA LYS 59 HA LYS 59 5.419 -7.998 10.384 351 1HB LYS 59 1HB LYS 59 3.504 -6.229 10.361 352 2HB LYS 59 2HB LYS 59 2.964 -7.128 8.956 353 1HG LYS 59 1HG LYS 59 3.331 -9.152 10.695 354 2HG LYS 59 2HG LYS 59 2.886 -7.851 11.802 355 1HD LYS 59 1HD LYS 59 0.841 -8.842 11.222 356 2HD LYS 59 2HD LYS 59 0.931 -7.408 10.199 357 1HE LYS 59 1HE LYS 59 0.177 -9.227 8.845 358 2HE LYS 59 2HE LYS 59 1.837 -8.852 8.382 359 1HZ LYS 59 1HZ LYS 59 2.523 -10.684 9.920 360 2HZ LYS 59 2HZ LYS 59 0.894 -11.120 10.033 361 3HZ LYS 59 3HZ LYS 59 1.684 -11.188 8.539 362 H GLN 60 H GLN 60 6.352 -7.464 7.383 363 HA GLN 60 HA GLN 60 4.923 -9.351 5.862 364 1HB GLN 60 1HB GLN 60 7.591 -8.102 5.512 365 2HB GLN 60 2HB GLN 60 6.979 -9.270 4.393 366 1HG GLN 60 1HG GLN 60 5.119 -7.880 3.887 367 2HG GLN 60 2HG GLN 60 5.626 -6.720 5.096 368 H SER 61 H SER 61 6.037 -11.240 4.844 369 HA SER 61 HA SER 61 6.768 -13.367 5.033 370 1HB SER 61 1HB SER 61 8.733 -12.098 6.899 371 2HB SER 61 2HB SER 61 8.892 -13.723 6.244 372 HG SER 61 HG SER 61 8.904 -11.261 4.826 373 H LEU 62 H LEU 62 4.827 -12.155 7.030 374 HA LEU 62 HA LEU 62 4.909 -14.352 8.971 375 1HB LEU 62 1HB LEU 62 4.120 -11.506 9.487 376 2HB LEU 62 2HB LEU 62 3.893 -12.812 10.627 377 HG LEU 62 HG LEU 62 6.610 -12.015 9.592 378 H1 MET 101 H1 MET 101 2.059 -16.402 5.623 379 H2 MET 101 H2 MET 101 2.034 -15.826 7.216 380 H3 MET 101 H3 MET 101 2.589 -17.394 6.887 381 HA MET 101 HA MET 101 0.448 -18.146 6.278 382 1HB MET 101 1HB MET 101 0.975 -18.008 8.705 383 2HB MET 101 2HB MET 101 0.219 -16.424 8.755 384 1HG MET 101 1HG MET 101 -1.898 -17.507 7.988 385 2HG MET 101 2HG MET 101 -1.104 -19.066 8.204 386 1HE MET 101 1HE MET 101 -1.589 -15.661 9.973 387 2HE MET 101 2HE MET 101 -3.220 -16.324 9.988 388 3HE MET 101 3HE MET 101 -2.341 -16.113 11.502 389 H LYS 102 H LYS 102 -1.250 -17.705 5.047 390 HA LYS 102 HA LYS 102 -1.996 -14.925 4.594 391 1HB LYS 102 1HB LYS 102 -1.576 -16.569 2.706 392 2HB LYS 102 2HB LYS 102 -3.061 -17.373 3.181 393 1HG LYS 102 1HG LYS 102 -3.225 -14.461 2.689 394 2HG LYS 102 2HG LYS 102 -2.962 -15.500 1.290 395 1HD LYS 102 1HD LYS 102 -4.973 -16.684 1.667 396 2HD LYS 102 2HD LYS 102 -5.139 -16.032 3.298 397 1HE LYS 102 1HE LYS 102 -5.256 -13.741 2.086 398 2HE LYS 102 2HE LYS 102 -5.642 -14.711 0.663 399 1HZ LYS 102 1HZ LYS 102 -7.111 -14.805 3.238 400 2HZ LYS 102 2HZ LYS 102 -7.635 -13.969 1.863 401 3HZ LYS 102 3HZ LYS 102 -7.510 -15.658 1.835 402 HA PRO 103 HA PRO 103 -5.472 -15.809 7.363 403 1HB PRO 103 1HB PRO 103 -5.648 -13.009 7.876 404 2HB PRO 103 2HB PRO 103 -4.999 -14.257 8.936 405 1HG PRO 103 1HG PRO 103 -3.498 -12.251 7.791 406 2HG PRO 103 2HG PRO 103 -2.844 -13.808 8.342 407 1HD PRO 103 1HD PRO 103 -3.600 -12.941 5.572 408 2HD PRO 103 2HD PRO 103 -2.186 -13.879 6.120 409 H VAL 104 H VAL 104 -7.560 -14.281 7.684 410 HA VAL 104 HA VAL 104 -8.785 -14.133 5.076 411 HB VAL 104 HB VAL 104 -10.071 -13.161 7.598 412 H THR 105 H THR 105 -9.778 -12.174 4.253 413 HA THR 105 HA THR 105 -8.950 -9.707 5.576 414 HB THR 105 HB THR 105 -8.060 -8.842 3.323 415 HG1 THR 105 HG1 THR 105 -8.249 -11.604 2.854 416 H LEU 106 H LEU 106 -9.588 -7.832 3.966 417 HA LEU 106 HA LEU 106 -12.450 -8.031 3.833 418 1HB LEU 106 1HB LEU 106 -11.737 -5.771 2.331 419 2HB LEU 106 2HB LEU 106 -12.336 -5.822 3.973 420 HG LEU 106 HG LEU 106 -9.749 -6.236 4.479 421 H TYR 107 H TYR 107 -9.849 -8.512 1.601 422 HA TYR 107 HA TYR 107 -11.283 -8.213 -0.807 423 1HB TYR 107 1HB TYR 107 -8.809 -9.740 -0.028 424 2HB TYR 107 2HB TYR 107 -9.456 -9.808 -1.660 425 HD1 TYR 107 HD1 TYR 107 -7.780 -7.729 0.825 426 HD2 TYR 107 HD2 TYR 107 -9.328 -7.880 -3.128 427 HE1 TYR 107 HE1 TYR 107 -6.533 -5.686 0.263 428 HE2 TYR 107 HE2 TYR 107 -8.096 -5.832 -3.702 429 HH TYR 107 HH TYR 107 -7.132 -3.874 -2.530 430 H ASP 108 H ASP 108 -10.863 -10.823 1.460 431 HA ASP 108 HA ASP 108 -11.921 -12.901 -0.111 432 1HB ASP 108 1HB ASP 108 -11.484 -12.466 2.854 433 2HB ASP 108 2HB ASP 108 -12.084 -13.986 2.210 434 H VAL 109 H VAL 109 -13.267 -11.094 2.636 435 HA VAL 109 HA VAL 109 -15.820 -12.210 2.223 436 HB VAL 109 HB VAL 109 -16.279 -11.436 4.218 437 H ALA 110 H ALA 110 -14.220 -9.501 0.824 438 HA ALA 110 HA ALA 110 -16.583 -8.217 -0.164 439 1HB ALA 110 1HB ALA 110 -13.784 -8.061 -1.277 440 2HB ALA 110 2HB ALA 110 -15.107 -6.934 -1.580 441 3HB ALA 110 3HB ALA 110 -14.398 -7.051 0.031 442 H GLU 111 H GLU 111 -14.390 -10.684 -1.211 443 HA GLU 111 HA GLU 111 -15.296 -10.989 -3.886 444 1HB GLU 111 1HB GLU 111 -13.356 -12.092 -2.145 445 2HB GLU 111 2HB GLU 111 -14.295 -13.433 -2.758 446 1HG GLU 111 1HG GLU 111 -13.143 -11.337 -4.559 447 2HG GLU 111 2HG GLU 111 -12.238 -12.758 -4.063 448 H TYR 112 H TYR 112 -15.960 -12.409 -0.830 449 HA TYR 112 HA TYR 112 -17.805 -14.400 -1.491 450 1HB TYR 112 1HB TYR 112 -16.487 -13.437 0.700 451 2HB TYR 112 2HB TYR 112 -18.139 -13.003 1.041 452 HD1 TYR 112 HD1 TYR 112 -16.178 -15.968 -0.104 453 HD2 TYR 112 HD2 TYR 112 -19.424 -14.459 2.184 454 HE1 TYR 112 HE1 TYR 112 -16.615 -18.227 0.760 455 HE2 TYR 112 HE2 TYR 112 -19.867 -16.689 3.042 456 HH TYR 112 HH TYR 112 -19.408 -18.865 2.860 457 H ALA 113 H ALA 113 -18.310 -11.309 0.018 458 HA ALA 113 HA ALA 113 -21.080 -11.244 -0.127 459 1HB ALA 113 1HB ALA 113 -19.989 -9.866 1.432 460 2HB ALA 113 2HB ALA 113 -20.807 -8.786 0.300 461 3HB ALA 113 3HB ALA 113 -19.068 -9.045 0.172 462 H GLY 114 H GLY 114 -18.796 -10.679 -2.603 463 1HA GLY 114 1HA GLY 114 -20.909 -10.177 -4.495 464 2HA GLY 114 2HA GLY 114 -19.191 -10.315 -4.858 465 H VAL 115 H VAL 115 -18.203 -8.371 -3.151 466 HA VAL 115 HA VAL 115 -19.110 -5.928 -4.450 467 HB VAL 115 HB VAL 115 -18.925 -4.682 -2.312 468 H SER 116 H SER 116 -17.377 -4.243 -3.053 469 HA SER 116 HA SER 116 -14.770 -5.360 -3.826 470 1HB SER 116 1HB SER 116 -14.041 -3.153 -4.391 471 2HB SER 116 2HB SER 116 -15.640 -3.332 -5.113 472 HG SER 116 HG SER 116 -16.497 -2.072 -3.524 473 H VAL 117 H VAL 117 -12.983 -3.963 -2.573 474 HA VAL 117 HA VAL 117 -13.373 -4.638 0.173 475 HB VAL 117 HB VAL 117 -11.114 -3.798 0.486 476 H ALA 118 H ALA 118 -14.084 -2.016 -1.769 477 HA ALA 118 HA ALA 118 -13.765 0.053 0.157 478 1HB ALA 118 1HB ALA 118 -15.350 -0.067 -2.395 479 2HB ALA 118 2HB ALA 118 -15.167 1.382 -1.404 480 3HB ALA 118 3HB ALA 118 -13.757 0.648 -2.162 481 H THR 119 H THR 119 -16.356 -2.135 -0.893 482 HA THR 119 HA THR 119 -18.374 -0.864 0.624 483 HB THR 119 HB THR 119 -18.738 -3.713 0.130 484 HG1 THR 119 HG1 THR 119 -18.758 -2.413 -2.277 485 H VAL 120 H VAL 120 -16.267 -3.599 1.076 486 HA VAL 120 HA VAL 120 -17.244 -4.394 3.589 487 HB VAL 120 HB VAL 120 -14.607 -4.934 2.243 488 H SER 121 H SER 121 -14.392 -2.351 2.783 489 HA SER 121 HA SER 121 -13.540 -2.004 5.404 490 1HB SER 121 1HB SER 121 -13.215 -0.425 2.885 491 2HB SER 121 2HB SER 121 -12.691 0.273 4.419 492 HG SER 121 HG SER 121 -11.409 -1.617 4.724 493 H ARG 122 H ARG 122 -16.167 -0.552 3.612 494 HA ARG 122 HA ARG 122 -16.597 1.600 5.396 495 1HB ARG 122 1HB ARG 122 -18.363 0.158 3.464 496 2HB ARG 122 2HB ARG 122 -18.942 1.486 4.442 497 1HG ARG 122 1HG ARG 122 -16.527 1.806 2.721 498 2HG ARG 122 2HG ARG 122 -18.151 1.996 2.065 499 1HD ARG 122 1HD ARG 122 -18.590 3.653 3.896 500 2HD ARG 122 2HD ARG 122 -16.886 3.541 4.319 501 HE ARG 122 HE ARG 122 -17.278 4.211 1.570 502 1HH1 ARG 122 1HH1 ARG 122 -17.211 5.500 4.826 503 1HH2 ARG 122 1HH2 ARG 122 -16.805 6.371 0.902 504 2HH1 ARG 122 2HH1 ARG 122 -16.835 7.115 4.313 505 2HH2 ARG 122 2HH2 ARG 122 -16.613 7.610 2.098 506 H VAL 123 H VAL 123 -18.059 -1.587 5.052 507 HA VAL 123 HA VAL 123 -19.739 -1.396 7.322 508 HB VAL 123 HB VAL 123 -18.637 -3.899 6.054 509 H VAL 124 H VAL 124 -16.504 -2.617 6.786 510 HA VAL 124 HA VAL 124 -15.913 -3.585 9.318 511 HB VAL 124 HB VAL 124 -14.369 -2.469 7.016 512 H ASN 125 H ASN 125 -15.984 -0.381 7.961 513 HA ASN 125 HA ASN 125 -15.050 0.848 10.444 514 1HB ASN 125 1HB ASN 125 -15.600 1.791 7.662 515 2HB ASN 125 2HB ASN 125 -15.694 2.968 8.962 516 1HD2 ASN 125 1HD2 ASN 125 -13.675 1.005 7.015 517 1HD2 ASN 125 1HD2 ASN 125 -12.155 1.619 7.596 518 H GLN 126 H GLN 126 -17.680 -0.596 10.142 519 HA GLN 126 HA GLN 126 -19.760 -0.448 10.991 520 1HB GLN 126 1HB GLN 126 -19.573 2.192 12.215 521 2HB GLN 126 2HB GLN 126 -20.073 0.669 12.919 522 1HG GLN 126 1HG GLN 126 -17.277 1.670 12.551 523 2HG GLN 126 2HG GLN 126 -18.140 1.498 14.073 524 H ALA 127 H ALA 127 -19.499 0.152 8.488 525 HA ALA 127 HA ALA 127 -20.011 1.356 6.666 526 1HB ALA 127 1HB ALA 127 -21.971 0.120 7.410 527 2HB ALA 127 2HB ALA 127 -22.578 1.586 8.182 528 3HB ALA 127 3HB ALA 127 -22.353 1.536 6.432 529 H SER 128 H SER 128 -21.464 3.269 5.868 530 HA SER 128 HA SER 128 -21.386 5.697 7.310 531 1HB SER 128 1HB SER 128 -19.736 6.178 5.005 532 2HB SER 128 2HB SER 128 -19.416 6.601 6.680 533 HG SER 128 HG SER 128 -18.396 4.680 6.978 534 H HIS 129 H HIS 129 -21.399 4.032 4.250 535 HA HIS 129 HA HIS 129 -23.787 5.482 3.417 536 1HB HIS 129 1HB HIS 129 -21.146 5.644 2.102 537 2HB HIS 129 2HB HIS 129 -22.492 5.293 1.021 538 HD1 HIS 129 HD1 HIS 129 -21.281 7.856 0.405 539 HD2 HIS 129 HD2 HIS 129 -24.101 7.539 3.441 540 HE1 HIS 129 HE1 HIS 129 -22.232 10.164 0.685 541 HE2 HIS 129 HE2 HIS 129 -24.055 9.906 2.409 542 H VAL 130 H VAL 130 -22.656 2.646 4.191 543 HA VAL 130 HA VAL 130 -23.336 1.104 1.869 544 HB VAL 130 HB VAL 130 -22.047 0.560 4.469 545 H SER 131 H SER 131 -25.245 0.183 1.501 546 HA SER 131 HA SER 131 -27.464 0.959 3.028 547 1HB SER 131 1HB SER 131 -28.069 -1.314 1.375 548 2HB SER 131 2HB SER 131 -28.489 0.383 1.106 549 HG SER 131 HG SER 131 -27.217 -0.254 -0.598 550 H ALA 132 H ALA 132 -28.861 -0.339 4.306 551 HA ALA 132 HA ALA 132 -27.740 -1.900 6.241 552 1HB ALA 132 1HB ALA 132 -29.959 -0.934 6.437 553 2HB ALA 132 2HB ALA 132 -30.574 -2.058 5.224 554 3HB ALA 132 3HB ALA 132 -30.006 -2.663 6.780 555 H LYS 133 H LYS 133 -29.268 -3.036 3.241 556 HA LYS 133 HA LYS 133 -29.077 -5.752 3.706 557 1HB LYS 133 1HB LYS 133 -29.584 -4.049 1.450 558 2HB LYS 133 2HB LYS 133 -28.650 -5.463 0.974 559 1HG LYS 133 1HG LYS 133 -31.168 -5.632 2.607 560 2HG LYS 133 2HG LYS 133 -31.152 -5.679 0.849 561 1HD LYS 133 1HD LYS 133 -30.246 -7.749 0.762 562 2HD LYS 133 2HD LYS 133 -29.313 -7.528 2.244 563 1HE LYS 133 1HE LYS 133 -32.262 -8.088 2.011 564 2HE LYS 133 2HE LYS 133 -31.026 -9.176 2.623 565 1HZ LYS 133 1HZ LYS 133 -30.641 -7.622 4.458 566 2HZ LYS 133 2HZ LYS 133 -31.877 -6.623 3.879 567 3HZ LYS 133 3HZ LYS 133 -32.240 -8.176 4.431 568 H THR 134 H THR 134 -26.776 -3.636 2.088 569 HA THR 134 HA THR 134 -24.850 -5.574 1.523 570 HB THR 134 HB THR 134 -24.392 -2.679 2.006 571 HG1 THR 134 HG1 THR 134 -24.720 -2.500 -0.281 572 H ARG 135 H ARG 135 -25.194 -3.407 4.271 573 HA ARG 135 HA ARG 135 -22.918 -4.018 5.666 574 1HB ARG 135 1HB ARG 135 -24.436 -2.332 6.480 575 2HB ARG 135 2HB ARG 135 -25.714 -3.514 6.706 576 1HG ARG 135 1HG ARG 135 -23.160 -3.783 8.222 577 2HG ARG 135 2HG ARG 135 -24.373 -2.634 8.744 578 1HD ARG 135 1HD ARG 135 -26.005 -4.418 8.854 579 2HD ARG 135 2HD ARG 135 -24.789 -5.560 8.319 580 HE ARG 135 HE ARG 135 -23.618 -5.229 10.392 581 1HH1 ARG 135 1HH1 ARG 135 -26.884 -3.954 10.285 582 1HH2 ARG 135 1HH2 ARG 135 -23.845 -5.173 12.643 583 2HH1 ARG 135 2HH1 ARG 135 -27.048 -3.897 12.009 584 2HH2 ARG 135 2HH2 ARG 135 -25.319 -4.600 13.357 585 H GLU 136 H GLU 136 -25.895 -5.813 5.487 586 HA GLU 136 HA GLU 136 -25.083 -7.856 7.316 587 1HB GLU 136 1HB GLU 136 -27.283 -7.850 5.299 588 2HB GLU 136 2HB GLU 136 -27.103 -9.016 6.582 589 1HG GLU 136 1HG GLU 136 -27.779 -7.553 8.175 590 2HG GLU 136 2HG GLU 136 -27.294 -6.146 7.241 591 H LYS 137 H LYS 137 -25.140 -7.354 3.903 592 HA LYS 137 HA LYS 137 -24.575 -9.824 2.842 593 1HB LYS 137 1HB LYS 137 -25.126 -7.799 1.549 594 2HB LYS 137 2HB LYS 137 -23.575 -7.106 1.984 595 1HG LYS 137 1HG LYS 137 -22.633 -9.268 0.897 596 2HG LYS 137 2HG LYS 137 -24.185 -9.272 0.052 597 1HD LYS 137 1HD LYS 137 -22.347 -6.882 0.158 598 2HD LYS 137 2HD LYS 137 -22.289 -8.092 -1.126 599 1HE LYS 137 1HE LYS 137 -24.661 -6.388 -0.407 600 2HE LYS 137 2HE LYS 137 -23.595 -6.135 -1.786 601 1HZ LYS 137 1HZ LYS 137 -24.267 -8.413 -2.541 602 2HZ LYS 137 2HZ LYS 137 -25.455 -8.401 -1.336 603 3HZ LYS 137 3HZ LYS 137 -25.500 -7.256 -2.580 604 H VAL 138 H VAL 138 -22.335 -7.406 3.929 605 HA VAL 138 HA VAL 138 -20.065 -9.084 3.359 606 HB VAL 138 HB VAL 138 -18.722 -7.326 3.424 607 H GLU 139 H GLU 139 -21.805 -8.003 6.263 608 HA GLU 139 HA GLU 139 -19.900 -8.898 8.096 609 1HB GLU 139 1HB GLU 139 -22.862 -8.423 8.211 610 2HB GLU 139 2HB GLU 139 -21.969 -9.014 9.592 611 1HG GLU 139 1HG GLU 139 -20.545 -6.818 8.581 612 2HG GLU 139 2HG GLU 139 -22.246 -6.356 8.639 613 H ALA 140 H ALA 140 -22.619 -10.423 6.496 614 HA ALA 140 HA ALA 140 -22.442 -12.874 7.832 615 1HB ALA 140 1HB ALA 140 -23.396 -12.409 5.011 616 2HB ALA 140 2HB ALA 140 -24.379 -12.179 6.458 617 3HB ALA 140 3HB ALA 140 -23.789 -13.786 6.042 618 H ALA 141 H ALA 141 -20.921 -11.623 4.964 619 HA ALA 141 HA ALA 141 -19.567 -13.923 4.142 620 1HB ALA 141 1HB ALA 141 -19.783 -12.058 2.648 621 2HB ALA 141 2HB ALA 141 -18.066 -12.315 2.954 622 3HB ALA 141 3HB ALA 141 -18.919 -11.002 3.764 623 H MET 142 H MET 142 -18.650 -11.229 6.250 624 HA MET 142 HA MET 142 -16.035 -11.888 6.801 625 1HB MET 142 1HB MET 142 -18.126 -10.616 8.538 626 2HB MET 142 2HB MET 142 -16.448 -10.780 9.011 627 1HG MET 142 1HG MET 142 -15.809 -9.422 7.041 628 2HG MET 142 2HG MET 142 -17.531 -9.178 6.709 629 1HE MET 142 1HE MET 142 -16.048 -6.789 6.736 630 2HE MET 142 2HE MET 142 -17.725 -6.399 7.107 631 3HE MET 142 3HE MET 142 -16.424 -5.702 8.072 632 H ALA 143 H ALA 143 -18.920 -13.248 7.913 633 HA ALA 143 HA ALA 143 -17.914 -14.485 10.270 634 1HB ALA 143 1HB ALA 143 -20.470 -14.953 8.768 635 2HB ALA 143 2HB ALA 143 -20.236 -13.852 10.126 636 3HB ALA 143 3HB ALA 143 -20.096 -15.594 10.370 637 H GLU 144 H GLU 144 -18.610 -15.650 7.014 638 HA GLU 144 HA GLU 144 -18.265 -18.341 7.548 639 1HB GLU 144 1HB GLU 144 -17.817 -16.970 4.957 640 2HB GLU 144 2HB GLU 144 -18.246 -18.653 5.210 641 1HG GLU 144 1HG GLU 144 -20.139 -17.053 6.557 642 2HG GLU 144 2HG GLU 144 -19.929 -16.430 4.935 643 H LEU 145 H LEU 145 -16.030 -16.134 5.931 644 HA LEU 145 HA LEU 145 -13.950 -18.058 5.983 645 1HB LEU 145 1HB LEU 145 -12.561 -15.875 5.614 646 2HB LEU 145 2HB LEU 145 -13.431 -16.649 4.336 647 HG LEU 145 HG LEU 145 -13.436 -14.102 4.541 648 H ASN 146 H ASN 146 -15.094 -15.749 8.174 649 HA ASN 146 HA ASN 146 -14.644 -15.305 10.341 650 1HB ASN 146 1HB ASN 146 -14.066 -17.687 10.615 651 2HB ASN 146 2HB ASN 146 -12.443 -17.311 10.094 652 1HD2 ASN 146 1HD2 ASN 146 -14.785 -16.902 12.589 653 1HD2 ASN 146 1HD2 ASN 146 -13.662 -16.486 13.833 654 H TYR 147 H TYR 147 -14.187 -13.508 8.972 655 HA TYR 147 HA TYR 147 -11.863 -12.493 8.047 656 1HB TYR 147 1HB TYR 147 -14.092 -11.505 7.767 657 2HB TYR 147 2HB TYR 147 -14.068 -10.978 9.443 658 HD1 TYR 147 HD1 TYR 147 -11.246 -10.731 7.018 659 HD2 TYR 147 HD2 TYR 147 -14.252 -8.662 9.204 660 HE1 TYR 147 HE1 TYR 147 -10.217 -8.582 6.411 661 HE2 TYR 147 HE2 TYR 147 -13.230 -6.521 8.594 662 HH TYR 147 HH TYR 147 -10.305 -6.380 6.595 663 H ILE 148 H ILE 148 -12.242 -10.060 10.026 664 HA ILE 148 HA ILE 148 -11.464 -9.303 12.067 665 HB ILE 148 HB ILE 148 -9.826 -11.811 12.008 666 HA PRO 149 HA PRO 149 -8.541 -7.302 9.361 667 1HB PRO 149 1HB PRO 149 -8.960 -4.816 10.275 668 2HB PRO 149 2HB PRO 149 -10.163 -5.658 9.289 669 1HG PRO 149 1HG PRO 149 -10.164 -5.088 12.194 670 2HG PRO 149 2HG PRO 149 -11.529 -5.282 11.078 671 1HD PRO 149 1HD PRO 149 -10.469 -7.218 12.870 672 2HD PRO 149 2HD PRO 149 -11.734 -7.468 11.655 673 H ASN 150 H ASN 150 -6.732 -5.582 9.745 674 HA ASN 150 HA ASN 150 -5.296 -6.328 12.174 675 1HB ASN 150 1HB ASN 150 -4.544 -5.798 9.348 676 2HB ASN 150 2HB ASN 150 -3.458 -5.119 10.571 677 1HD2 ASN 150 1HD2 ASN 150 -3.255 -7.333 8.594 678 1HD2 ASN 150 1HD2 ASN 150 -2.736 -8.698 9.524 679 H ARG 151 H ARG 151 -5.049 -4.795 13.654 680 HA ARG 151 HA ARG 151 -6.397 -2.362 13.551 681 1HB ARG 151 1HB ARG 151 -4.831 -3.798 15.444 682 2HB ARG 151 2HB ARG 151 -4.330 -2.111 15.457 683 1HG ARG 151 1HG ARG 151 -6.053 -2.324 17.064 684 2HG ARG 151 2HG ARG 151 -6.746 -1.492 15.671 685 1HD ARG 151 1HD ARG 151 -7.043 -4.332 15.372 686 2HD ARG 151 2HD ARG 151 -7.679 -3.827 16.934 687 HE ARG 151 HE ARG 151 -8.583 -2.161 14.787 688 1HH1 ARG 151 1HH1 ARG 151 -9.129 -5.199 16.436 689 1HH2 ARG 151 1HH2 ARG 151 -10.817 -2.268 14.222 690 2HH1 ARG 151 2HH1 ARG 151 -10.809 -5.277 16.015 691 2HH2 ARG 151 2HH2 ARG 151 -11.770 -3.608 14.780 692 H CYS 152 H CYS 152 -3.149 -3.055 12.496 693 HA CYS 152 HA CYS 152 -2.353 -0.269 12.583 694 1HB CYS 152 1HB CYS 152 -0.873 -2.476 12.697 695 2HB CYS 152 2HB CYS 152 -0.874 -2.250 10.953 696 H ALA 153 H ALA 153 -3.039 -2.631 10.063 697 HA ALA 153 HA ALA 153 -2.907 -0.982 7.878 698 1HB ALA 153 1HB ALA 153 -4.937 -3.166 8.367 699 2HB ALA 153 2HB ALA 153 -4.540 -2.471 6.798 700 3HB ALA 153 3HB ALA 153 -3.321 -3.376 7.689 701 H GLN 154 H GLN 154 -5.482 -1.305 10.238 702 HA GLN 154 HA GLN 154 -7.328 0.441 8.978 703 1HB GLN 154 1HB GLN 154 -7.054 -0.516 11.825 704 2HB GLN 154 2HB GLN 154 -8.424 0.384 11.200 705 1HG GLN 154 1HG GLN 154 -8.548 -1.518 9.447 706 2HG GLN 154 2HG GLN 154 -7.608 -2.413 10.635 707 H GLN 155 H GLN 155 -4.997 0.753 11.622 708 HA GLN 155 HA GLN 155 -5.472 3.419 12.298 709 1HB GLN 155 1HB GLN 155 -3.254 1.520 12.648 710 2HB GLN 155 2HB GLN 155 -2.883 3.211 12.916 711 1HG GLN 155 1HG GLN 155 -4.854 1.462 14.345 712 2HG GLN 155 2HG GLN 155 -3.445 2.285 15.000 713 H LEU 156 H LEU 156 -3.278 2.009 9.949 714 HA LEU 156 HA LEU 156 -2.122 4.410 9.044 715 1HB LEU 156 1HB LEU 156 -1.452 1.914 8.772 716 2HB LEU 156 2HB LEU 156 -2.494 1.958 7.362 717 HG LEU 156 HG LEU 156 -1.093 3.611 6.312 718 H ALA 157 H ALA 157 -4.395 2.318 7.363 719 HA ALA 157 HA ALA 157 -5.127 4.071 5.352 720 1HB ALA 157 1HB ALA 157 -5.654 1.659 5.367 721 2HB ALA 157 2HB ALA 157 -7.032 2.660 4.911 722 3HB ALA 157 3HB ALA 157 -6.939 1.969 6.532 723 H GLY 158 H GLY 158 -6.399 3.901 8.609 724 1HA GLY 158 1HA GLY 158 -8.104 5.080 9.638 725 2HA GLY 158 2HA GLY 158 -8.612 5.666 8.059 726 H LYS 159 H LYS 159 -5.383 6.183 8.284 727 HA LYS 159 HA LYS 159 -5.489 8.670 9.749 728 1HB LYS 159 1HB LYS 159 -3.599 6.894 9.772 729 2HB LYS 159 2HB LYS 159 -3.112 7.659 8.274 730 1HG LYS 159 1HG LYS 159 -3.381 9.819 9.878 731 2HG LYS 159 2HG LYS 159 -2.843 8.594 11.030 732 1HD LYS 159 1HD LYS 159 -0.837 9.470 10.261 733 2HD LYS 159 2HD LYS 159 -1.049 8.059 9.224 734 1HE LYS 159 1HE LYS 159 -0.406 9.848 7.811 735 2HE LYS 159 2HE LYS 159 -2.130 9.594 7.550 736 1HZ LYS 159 1HZ LYS 159 -2.423 11.418 9.286 737 2HZ LYS 159 2HZ LYS 159 -0.798 11.779 9.013 738 3HZ LYS 159 3HZ LYS 159 -1.911 11.890 7.742 739 H GLN 160 H GLN 160 -6.502 7.938 6.791 740 HA GLN 160 HA GLN 160 -5.121 9.732 5.125 741 1HB GLN 160 1HB GLN 160 -7.808 8.489 4.905 742 2HB GLN 160 2HB GLN 160 -7.169 9.537 3.689 743 1HG GLN 160 1HG GLN 160 -5.351 8.060 3.297 744 2HG GLN 160 2HG GLN 160 -5.882 7.021 4.601 745 H SER 161 H SER 161 -6.175 11.567 4.041 746 HA SER 161 HA SER 161 -6.927 13.696 4.079 747 1HB SER 161 1HB SER 161 -8.915 12.501 5.969 748 2HB SER 161 2HB SER 161 -9.054 14.121 5.302 749 HG SER 161 HG SER 161 -9.970 11.969 4.235 750 H LEU 162 H LEU 162 -4.934 12.717 6.086 751 HA LEU 162 HA LEU 162 -5.087 15.020 7.895 752 1HB LEU 162 1HB LEU 162 -4.236 12.244 8.640 753 2HB LEU 162 2HB LEU 162 -4.084 13.642 9.680 754 HG LEU 162 HG LEU 162 -6.752 12.724 8.631 No H/Q in entry = 754 Start of MODEL 8 1 H1 MET 1 H1 MET 1 -2.193 14.586 5.163 2 H2 MET 1 H2 MET 1 -3.004 15.599 4.075 3 H3 MET 1 H3 MET 1 -2.382 14.121 3.547 4 HA MET 1 HA MET 1 -0.980 15.884 2.796 5 1HB MET 1 1HB MET 1 0.101 17.405 4.278 6 2HB MET 1 2HB MET 1 -1.603 17.424 4.709 7 1HG MET 1 1HG MET 1 -1.238 16.231 6.681 8 2HG MET 1 2HG MET 1 0.351 15.676 6.159 9 1HE MET 1 1HE MET 1 1.214 16.180 8.440 10 2HE MET 1 2HE MET 1 1.517 17.784 9.110 11 3HE MET 1 3HE MET 1 -0.104 17.092 9.172 12 H LYS 2 H LYS 2 1.395 15.693 2.814 13 HA LYS 2 HA LYS 2 2.286 13.266 4.218 14 1HB LYS 2 1HB LYS 2 1.898 12.767 1.836 15 2HB LYS 2 2HB LYS 2 3.019 14.047 1.394 16 1HG LYS 2 1HG LYS 2 4.694 12.724 2.879 17 2HG LYS 2 2HG LYS 2 3.572 11.388 2.620 18 1HD LYS 2 1HD LYS 2 5.220 11.215 0.938 19 2HD LYS 2 2HD LYS 2 3.776 11.855 0.150 20 1HE LYS 2 1HE LYS 2 5.759 13.039 -0.607 21 2HE LYS 2 2HE LYS 2 4.711 14.124 0.303 22 1HZ LYS 2 1HZ LYS 2 7.148 12.781 1.352 23 2HZ LYS 2 2HZ LYS 2 7.025 14.410 0.919 24 3HZ LYS 2 3HZ LYS 2 6.144 13.821 2.236 25 HA PRO 3 HA PRO 3 5.374 16.315 5.519 26 1HB PRO 3 1HB PRO 3 6.125 14.223 7.401 27 2HB PRO 3 2HB PRO 3 5.516 15.838 7.733 28 1HG PRO 3 1HG PRO 3 4.055 13.625 8.218 29 2HG PRO 3 2HG PRO 3 3.315 15.160 7.713 30 1HD PRO 3 1HD PRO 3 3.930 12.721 6.083 31 2HD PRO 3 2HD PRO 3 2.486 13.763 6.067 32 H VAL 4 H VAL 4 7.789 15.360 6.559 33 HA VAL 4 HA VAL 4 9.198 14.599 4.234 34 HB VAL 4 HB VAL 4 10.220 13.976 6.968 35 H THR 5 H THR 5 9.956 12.611 3.593 36 HA THR 5 HA THR 5 9.202 10.288 5.173 37 HB THR 5 HB THR 5 8.089 9.282 3.025 38 HG1 THR 5 HG1 THR 5 8.463 11.863 2.303 39 H LEU 6 H LEU 6 9.599 8.284 3.429 40 HA LEU 6 HA LEU 6 12.467 8.417 3.194 41 1HB LEU 6 1HB LEU 6 11.707 6.179 1.721 42 2HB LEU 6 2HB LEU 6 12.352 6.224 3.344 43 HG LEU 6 HG LEU 6 9.861 6.487 4.051 44 H TYR 7 H TYR 7 9.805 9.017 1.097 45 HA TYR 7 HA TYR 7 11.087 8.626 -1.370 46 1HB TYR 7 1HB TYR 7 8.998 10.729 -0.857 47 2HB TYR 7 2HB TYR 7 9.289 9.808 -2.323 48 HD1 TYR 7 HD1 TYR 7 9.117 7.091 -1.747 49 HD2 TYR 7 HD2 TYR 7 6.998 10.251 0.140 50 HE1 TYR 7 HE1 TYR 7 7.325 5.525 -1.154 51 HE2 TYR 7 HE2 TYR 7 5.203 8.691 0.753 52 HH TYR 7 HH TYR 7 4.301 6.546 -0.005 53 H ASP 8 H ASP 8 10.818 11.314 0.845 54 HA ASP 8 HA ASP 8 12.006 13.297 -0.742 55 1HB ASP 8 1HB ASP 8 11.776 13.007 2.276 56 2HB ASP 8 2HB ASP 8 12.189 14.490 1.442 57 H VAL 9 H VAL 9 13.310 11.471 2.008 58 HA VAL 9 HA VAL 9 15.902 12.444 1.536 59 HB VAL 9 HB VAL 9 16.372 11.651 3.516 60 H ALA 10 H ALA 10 14.170 9.810 0.145 61 HA ALA 10 HA ALA 10 16.473 8.431 -0.855 62 1HB ALA 10 1HB ALA 10 13.604 8.358 -1.795 63 2HB ALA 10 2HB ALA 10 14.886 7.299 -2.385 64 3HB ALA 10 3HB ALA 10 14.381 7.220 -0.694 65 H GLU 11 H GLU 11 14.400 11.006 -1.894 66 HA GLU 11 HA GLU 11 15.305 11.244 -4.581 67 1HB GLU 11 1HB GLU 11 13.368 12.380 -2.950 68 2HB GLU 11 2HB GLU 11 14.431 13.714 -3.326 69 1HG GLU 11 1HG GLU 11 13.069 11.920 -5.316 70 2HG GLU 11 2HG GLU 11 12.625 13.573 -4.928 71 H TYR 12 H TYR 12 16.010 12.717 -1.555 72 HA TYR 12 HA TYR 12 17.951 14.605 -2.250 73 1HB TYR 12 1HB TYR 12 16.611 13.783 -0.037 74 2HB TYR 12 2HB TYR 12 18.218 13.202 0.296 75 HD1 TYR 12 HD1 TYR 12 16.630 16.348 -0.964 76 HD2 TYR 12 HD2 TYR 12 19.542 14.533 1.536 77 HE1 TYR 12 HE1 TYR 12 17.268 18.563 -0.103 78 HE2 TYR 12 HE2 TYR 12 20.187 16.715 2.402 79 HH TYR 12 HH TYR 12 19.976 18.926 2.173 80 H ALA 13 H ALA 13 18.298 11.506 -0.731 81 HA ALA 13 HA ALA 13 21.070 11.290 -0.852 82 1HB ALA 13 1HB ALA 13 18.980 9.146 -0.598 83 2HB ALA 13 2HB ALA 13 19.813 9.988 0.707 84 3HB ALA 13 3HB ALA 13 20.705 8.887 -0.343 85 H GLY 14 H GLY 14 18.740 10.806 -3.318 86 1HA GLY 14 1HA GLY 14 20.813 10.240 -5.229 87 2HA GLY 14 2HA GLY 14 19.093 10.398 -5.569 88 H VAL 15 H VAL 15 18.093 8.482 -3.845 89 HA VAL 15 HA VAL 15 18.961 6.026 -5.158 90 HB VAL 15 HB VAL 15 18.748 4.774 -3.027 91 H SER 16 H SER 16 17.206 4.343 -3.850 92 HA SER 16 HA SER 16 14.604 5.491 -4.603 93 1HB SER 16 1HB SER 16 13.860 3.253 -5.085 94 2HB SER 16 2HB SER 16 15.426 3.454 -5.867 95 HG SER 16 HG SER 16 16.369 2.352 -4.112 96 H VAL 17 H VAL 17 12.817 4.086 -3.340 97 HA VAL 17 HA VAL 17 13.221 4.777 -0.587 98 HB VAL 17 HB VAL 17 10.940 3.990 -0.268 99 H ALA 18 H ALA 18 13.736 2.132 -2.598 100 HA ALA 18 HA ALA 18 13.481 0.039 -0.710 101 1HB ALA 18 1HB ALA 18 15.006 0.167 -3.306 102 2HB ALA 18 2HB ALA 18 14.711 -1.300 -2.369 103 3HB ALA 18 3HB ALA 18 13.358 -0.420 -3.084 104 H THR 19 H THR 19 16.002 2.309 -1.622 105 HA THR 19 HA THR 19 18.066 0.953 -0.214 106 HB THR 19 HB THR 19 18.239 3.848 -0.809 107 HG1 THR 19 HG1 THR 19 18.666 2.168 -2.981 108 H VAL 20 H VAL 20 16.164 3.849 0.321 109 HA VAL 20 HA VAL 20 17.250 4.577 2.789 110 HB VAL 20 HB VAL 20 14.638 5.232 1.462 111 H SER 21 H SER 21 14.376 2.588 2.108 112 HA SER 21 HA SER 21 13.478 2.346 4.706 113 1HB SER 21 1HB SER 21 12.004 1.541 3.122 114 2HB SER 21 2HB SER 21 13.253 0.650 2.262 115 HG SER 21 HG SER 21 11.809 -0.040 4.554 116 H ARG 22 H ARG 22 16.188 0.767 3.053 117 HA ARG 22 HA ARG 22 16.560 -1.292 4.969 118 1HB ARG 22 1HB ARG 22 18.810 -0.010 3.483 119 2HB ARG 22 2HB ARG 22 18.677 -1.652 4.047 120 1HG ARG 22 1HG ARG 22 17.022 -0.492 1.841 121 2HG ARG 22 2HG ARG 22 18.506 -1.417 1.616 122 1HD ARG 22 1HD ARG 22 17.454 -3.322 2.779 123 2HD ARG 22 2HD ARG 22 15.962 -2.393 2.910 124 HE ARG 22 HE ARG 22 16.194 -2.315 0.336 125 1HH1 ARG 22 1HH1 ARG 22 17.031 -5.013 2.409 126 1HH2 ARG 22 1HH2 ARG 22 15.827 -3.907 -1.288 127 2HH1 ARG 22 2HH1 ARG 22 16.754 -6.209 1.184 128 2HH2 ARG 22 2HH2 ARG 22 16.051 -5.584 -0.905 129 H VAL 23 H VAL 23 17.818 1.966 4.632 130 HA VAL 23 HA VAL 23 19.511 1.853 6.912 131 HB VAL 23 HB VAL 23 18.304 4.294 5.617 132 H VAL 24 H VAL 24 16.240 2.934 6.276 133 HA VAL 24 HA VAL 24 15.517 3.834 8.810 134 HB VAL 24 HB VAL 24 14.055 2.615 6.479 135 H ASN 25 H ASN 25 15.720 0.728 7.343 136 HA ASN 25 HA ASN 25 14.641 -0.744 9.590 137 1HB ASN 25 1HB ASN 25 15.587 -1.411 6.861 138 2HB ASN 25 2HB ASN 25 15.747 -2.678 8.073 139 1HD2 ASN 25 1HD2 ASN 25 13.658 -1.020 5.972 140 1HD2 ASN 25 1HD2 ASN 25 12.190 -1.833 6.426 141 H GLN 26 H GLN 26 17.281 0.905 9.500 142 HA GLN 26 HA GLN 26 18.944 0.925 11.083 143 1HB GLN 26 1HB GLN 26 18.220 -1.919 11.352 144 2HB GLN 26 2HB GLN 26 19.820 -1.420 11.868 145 1HG GLN 26 1HG GLN 26 17.806 -1.448 13.504 146 2HG GLN 26 2HG GLN 26 19.025 -0.191 13.611 147 H ALA 27 H ALA 27 18.794 -1.265 8.443 148 HA ALA 27 HA ALA 27 20.053 -1.173 6.542 149 1HB ALA 27 1HB ALA 27 22.419 -0.208 8.137 150 2HB ALA 27 2HB ALA 27 21.265 0.859 7.337 151 3HB ALA 27 3HB ALA 27 22.236 -0.263 6.385 152 H SER 28 H SER 28 21.663 -2.598 5.719 153 HA SER 28 HA SER 28 23.062 -4.551 7.025 154 1HB SER 28 1HB SER 28 20.164 -5.191 6.780 155 2HB SER 28 2HB SER 28 21.330 -6.488 6.561 156 HG SER 28 HG SER 28 21.174 -4.775 8.828 157 H HIS 29 H HIS 29 21.117 -3.459 4.462 158 HA HIS 29 HA HIS 29 22.764 -4.889 2.513 159 1HB HIS 29 1HB HIS 29 19.766 -4.744 2.600 160 2HB HIS 29 2HB HIS 29 20.570 -4.728 1.035 161 HD1 HIS 29 HD1 HIS 29 19.912 -7.051 0.256 162 HD2 HIS 29 HD2 HIS 29 21.732 -7.045 3.989 163 HE1 HIS 29 HE1 HIS 29 20.426 -9.462 0.764 164 HE2 HIS 29 HE2 HIS 29 21.629 -9.421 2.972 165 H VAL 30 H VAL 30 23.086 -2.415 3.695 166 HA VAL 30 HA VAL 30 22.797 -0.580 1.434 167 HB VAL 30 HB VAL 30 22.013 -0.208 4.274 168 H SER 31 H SER 31 24.800 0.152 0.759 169 HA SER 31 HA SER 31 27.162 -0.606 2.025 170 1HB SER 31 1HB SER 31 27.079 1.846 0.307 171 2HB SER 31 2HB SER 31 28.226 0.500 0.289 172 HG SER 31 HG SER 31 26.790 -0.731 -0.821 173 H ALA 32 H ALA 32 28.645 0.576 3.281 174 HA ALA 32 HA ALA 32 27.702 2.070 5.375 175 1HB ALA 32 1HB ALA 32 30.484 2.282 4.231 176 2HB ALA 32 2HB ALA 32 29.928 0.967 5.263 177 3HB ALA 32 3HB ALA 32 29.986 2.615 5.889 178 H LYS 33 H LYS 33 29.142 3.251 2.349 179 HA LYS 33 HA LYS 33 28.993 5.970 2.925 180 1HB LYS 33 1HB LYS 33 29.771 4.408 0.749 181 2HB LYS 33 2HB LYS 33 28.511 5.473 0.140 182 1HG LYS 33 1HG LYS 33 30.876 6.439 1.717 183 2HG LYS 33 2HG LYS 33 30.835 6.371 -0.039 184 1HD LYS 33 1HD LYS 33 29.294 8.072 -0.208 185 2HD LYS 33 2HD LYS 33 28.629 7.768 1.396 186 1HE LYS 33 1HE LYS 33 31.324 8.988 0.811 187 2HE LYS 33 2HE LYS 33 29.884 9.878 1.292 188 1HZ LYS 33 1HZ LYS 33 29.968 8.211 3.296 189 2HZ LYS 33 2HZ LYS 33 31.610 8.140 2.892 190 3HZ LYS 33 3HZ LYS 33 30.902 9.620 3.292 191 H THR 34 H THR 34 26.641 3.813 1.451 192 HA THR 34 HA THR 34 24.690 5.711 0.797 193 HB THR 34 HB THR 34 24.213 2.888 1.600 194 HG1 THR 34 HG1 THR 34 24.315 2.774 -0.899 195 H ARG 35 H ARG 35 25.158 3.710 3.640 196 HA ARG 35 HA ARG 35 22.974 4.428 5.117 197 1HB ARG 35 1HB ARG 35 24.520 2.725 5.871 198 2HB ARG 35 2HB ARG 35 25.803 3.906 6.076 199 1HG ARG 35 1HG ARG 35 23.251 4.153 7.626 200 2HG ARG 35 2HG ARG 35 24.495 3.036 8.142 201 1HD ARG 35 1HD ARG 35 26.082 4.905 8.164 202 2HD ARG 35 2HD ARG 35 24.759 5.987 7.782 203 HE ARG 35 HE ARG 35 23.837 5.606 9.928 204 1HH1 ARG 35 1HH1 ARG 35 26.940 4.058 9.434 205 1HH2 ARG 35 1HH2 ARG 35 24.253 5.332 12.167 206 2HH1 ARG 35 2HH1 ARG 35 27.253 3.846 11.126 207 2HH2 ARG 35 2HH2 ARG 35 25.725 4.574 12.680 208 H GLU 36 H GLU 36 25.981 6.179 4.738 209 HA GLU 36 HA GLU 36 25.229 8.307 6.505 210 1HB GLU 36 1HB GLU 36 27.418 8.071 4.483 211 2HB GLU 36 2HB GLU 36 27.206 9.471 5.502 212 1HG GLU 36 1HG GLU 36 28.005 8.442 7.315 213 2HG GLU 36 2HG GLU 36 27.342 6.877 6.852 214 H LYS 37 H LYS 37 25.156 7.634 3.127 215 HA LYS 37 HA LYS 37 24.579 10.052 1.948 216 1HB LYS 37 1HB LYS 37 25.064 7.951 0.741 217 2HB LYS 37 2HB LYS 37 23.528 7.303 1.282 218 1HG LYS 37 1HG LYS 37 22.560 9.419 0.120 219 2HG LYS 37 2HG LYS 37 24.069 9.343 -0.798 220 1HD LYS 37 1HD LYS 37 22.312 6.929 -0.445 221 2HD LYS 37 2HD LYS 37 22.014 8.106 -1.725 222 1HE LYS 37 1HE LYS 37 24.534 6.514 -1.308 223 2HE LYS 37 2HE LYS 37 23.332 6.258 -2.567 224 1HZ LYS 37 1HZ LYS 37 23.830 8.560 -3.336 225 2HZ LYS 37 2HZ LYS 37 25.138 8.591 -2.264 226 3HZ LYS 37 3HZ LYS 37 25.103 7.466 -3.524 227 H VAL 38 H VAL 38 22.353 7.685 3.200 228 HA VAL 38 HA VAL 38 20.094 9.373 2.621 229 HB VAL 38 HB VAL 38 18.737 7.639 2.764 230 H GLU 39 H GLU 39 21.871 8.368 5.524 231 HA GLU 39 HA GLU 39 20.030 9.330 7.380 232 1HB GLU 39 1HB GLU 39 22.993 8.867 7.391 233 2HB GLU 39 2HB GLU 39 22.170 9.524 8.783 234 1HG GLU 39 1HG GLU 39 20.698 7.282 7.925 235 2HG GLU 39 2HG GLU 39 22.401 6.829 7.949 236 H ALA 40 H ALA 40 22.643 10.813 5.596 237 HA ALA 40 HA ALA 40 22.543 13.307 6.846 238 1HB ALA 40 1HB ALA 40 24.396 12.606 5.369 239 2HB ALA 40 2HB ALA 40 23.314 12.741 3.982 240 3HB ALA 40 3HB ALA 40 23.736 14.177 4.914 241 H ALA 41 H ALA 41 20.819 11.938 4.148 242 HA ALA 41 HA ALA 41 19.396 14.231 3.368 243 1HB ALA 41 1HB ALA 41 18.711 11.310 3.049 244 2HB ALA 41 2HB ALA 41 17.901 12.637 2.218 245 3HB ALA 41 3HB ALA 41 19.605 12.308 1.903 246 H MET 42 H MET 42 18.601 11.504 5.461 247 HA MET 42 HA MET 42 16.047 12.187 6.214 248 1HB MET 42 1HB MET 42 18.258 10.863 7.773 249 2HB MET 42 2HB MET 42 16.610 10.974 8.346 250 1HG MET 42 1HG MET 42 15.834 9.611 6.518 251 2HG MET 42 2HG MET 42 17.462 9.588 5.827 252 1HE MET 42 1HE MET 42 15.477 7.090 6.663 253 2HE MET 42 2HE MET 42 16.994 6.833 5.803 254 3HE MET 42 3HE MET 42 16.658 5.935 7.284 255 H ALA 43 H ALA 43 19.107 13.136 7.447 256 HA ALA 43 HA ALA 43 18.329 14.489 9.770 257 1HB ALA 43 1HB ALA 43 20.788 14.843 8.085 258 2HB ALA 43 2HB ALA 43 20.573 15.485 9.714 259 3HB ALA 43 3HB ALA 43 20.591 13.743 9.450 260 H GLU 44 H GLU 44 19.037 15.804 6.550 261 HA GLU 44 HA GLU 44 18.789 18.490 7.217 262 1HB GLU 44 1HB GLU 44 18.187 17.236 4.591 263 2HB GLU 44 2HB GLU 44 18.644 18.901 4.887 264 1HG GLU 44 1HG GLU 44 20.609 17.259 6.048 265 2HG GLU 44 2HG GLU 44 20.274 16.661 4.436 266 H LEU 45 H LEU 45 16.486 16.303 5.747 267 HA LEU 45 HA LEU 45 14.377 18.200 5.660 268 1HB LEU 45 1HB LEU 45 14.046 15.231 5.483 269 2HB LEU 45 2HB LEU 45 13.173 16.489 4.651 270 HG LEU 45 HG LEU 45 16.053 16.257 4.022 271 H ASN 46 H ASN 46 15.513 15.916 7.972 272 HA ASN 46 HA ASN 46 14.927 15.453 10.105 273 1HB ASN 46 1HB ASN 46 14.282 17.781 10.422 274 2HB ASN 46 2HB ASN 46 12.739 17.446 9.679 275 1HD2 ASN 46 1HD2 ASN 46 14.717 16.945 12.449 276 1HD2 ASN 46 1HD2 ASN 46 13.438 16.498 13.518 277 H TYR 47 H TYR 47 14.585 13.628 8.601 278 HA TYR 47 HA TYR 47 11.970 12.766 7.914 279 1HB TYR 47 1HB TYR 47 13.839 11.981 6.617 280 2HB TYR 47 2HB TYR 47 14.627 11.350 8.054 281 HD1 TYR 47 HD1 TYR 47 11.323 10.948 6.340 282 HD2 TYR 47 HD2 TYR 47 14.574 9.078 8.340 283 HE1 TYR 47 HE1 TYR 47 10.259 8.754 6.013 284 HE2 TYR 47 HE2 TYR 47 13.520 6.893 8.019 285 HH TYR 47 HH TYR 47 10.591 6.525 6.106 286 H ILE 48 H ILE 48 10.533 11.626 9.002 287 HA ILE 48 HA ILE 48 11.377 9.998 11.281 288 HB ILE 48 HB ILE 48 9.068 11.955 11.326 289 HA PRO 49 HA PRO 49 8.749 7.393 8.773 290 1HB PRO 49 1HB PRO 49 9.387 5.050 9.949 291 2HB PRO 49 2HB PRO 49 10.475 5.876 8.825 292 1HG PRO 49 1HG PRO 49 10.590 5.686 11.782 293 2HG PRO 49 2HG PRO 49 11.904 5.790 10.602 294 1HD PRO 49 1HD PRO 49 10.905 7.893 12.160 295 2HD PRO 49 2HD PRO 49 11.957 8.061 10.742 296 H ASN 50 H ASN 50 6.983 5.754 9.215 297 HA ASN 50 HA ASN 50 5.627 6.449 11.700 298 1HB ASN 50 1HB ASN 50 4.721 5.987 8.887 299 2HB ASN 50 2HB ASN 50 3.645 5.471 10.193 300 1HD2 ASN 50 1HD2 ASN 50 3.240 7.511 8.237 301 1HD2 ASN 50 1HD2 ASN 50 3.044 8.997 9.099 302 H ARG 51 H ARG 51 5.397 4.873 13.108 303 HA ARG 51 HA ARG 51 6.585 2.378 12.814 304 1HB ARG 51 1HB ARG 51 5.425 3.832 14.875 305 2HB ARG 51 2HB ARG 51 4.496 2.343 14.799 306 1HG ARG 51 1HG ARG 51 6.295 2.063 16.349 307 2HG ARG 51 2HG ARG 51 6.606 1.064 14.942 308 1HD ARG 51 1HD ARG 51 7.921 3.194 14.163 309 2HD ARG 51 2HD ARG 51 7.987 3.494 15.892 310 HE ARG 51 HE ARG 51 8.768 0.893 15.620 311 1HH1 ARG 51 1HH1 ARG 51 9.902 3.954 14.340 312 1HH2 ARG 51 1HH2 ARG 51 10.934 0.199 15.403 313 2HH1 ARG 51 2HH1 ARG 51 11.543 3.418 14.180 314 2HH2 ARG 51 2HH2 ARG 51 12.129 1.287 14.778 315 H CYS 52 H CYS 52 3.361 3.328 11.885 316 HA CYS 52 HA CYS 52 2.284 0.653 11.949 317 1HB CYS 52 1HB CYS 52 1.126 3.084 11.995 318 2HB CYS 52 2HB CYS 52 1.063 2.758 10.266 319 H ALA 53 H ALA 53 3.158 2.930 9.425 320 HA ALA 53 HA ALA 53 2.936 1.322 7.235 321 1HB ALA 53 1HB ALA 53 3.575 3.742 7.271 322 2HB ALA 53 2HB ALA 53 5.219 3.247 7.670 323 3HB ALA 53 3HB ALA 53 4.501 2.763 6.135 324 H GLN 54 H GLN 54 5.564 1.461 9.547 325 HA GLN 54 HA GLN 54 7.308 -0.359 8.266 326 1HB GLN 54 1HB GLN 54 7.069 0.437 11.163 327 2HB GLN 54 2HB GLN 54 8.439 -0.378 10.431 328 1HG GLN 54 1HG GLN 54 8.546 1.639 8.858 329 2HG GLN 54 2HG GLN 54 7.506 2.422 10.037 330 H GLN 55 H GLN 55 4.890 -0.621 10.803 331 HA GLN 55 HA GLN 55 5.266 -3.340 11.418 332 1HB GLN 55 1HB GLN 55 3.039 -1.401 11.810 333 2HB GLN 55 2HB GLN 55 2.772 -3.096 12.171 334 1HG GLN 55 1HG GLN 55 4.270 -1.055 13.613 335 2HG GLN 55 2HG GLN 55 3.506 -2.532 14.214 336 H LEU 56 H LEU 56 2.933 -1.754 9.283 337 HA LEU 56 HA LEU 56 1.642 -4.053 8.348 338 1HB LEU 56 1HB LEU 56 1.151 -1.512 8.070 339 2HB LEU 56 2HB LEU 56 2.155 -1.647 6.635 340 HG LEU 56 HG LEU 56 0.622 -3.263 5.668 341 H ALA 57 H ALA 57 3.981 -2.134 6.639 342 HA ALA 57 HA ALA 57 4.550 -3.855 4.552 343 1HB ALA 57 1HB ALA 57 5.290 -1.445 4.826 344 2HB ALA 57 2HB ALA 57 6.674 -2.077 5.718 345 3HB ALA 57 3HB ALA 57 6.424 -2.538 4.033 346 H GLY 58 H GLY 58 5.819 -3.976 7.797 347 1HA GLY 58 1HA GLY 58 7.417 -5.345 8.755 348 2HA GLY 58 2HA GLY 58 7.919 -5.824 7.142 349 H LYS 59 H LYS 59 4.616 -6.167 7.412 350 HA LYS 59 HA LYS 59 4.727 -8.836 8.538 351 1HB LYS 59 1HB LYS 59 2.940 -7.042 9.072 352 2HB LYS 59 2HB LYS 59 2.246 -7.525 7.539 353 1HG LYS 59 1HG LYS 59 2.503 -9.939 8.627 354 2HG LYS 59 2HG LYS 59 2.364 -8.983 10.102 355 1HD LYS 59 1HD LYS 59 0.162 -9.600 9.568 356 2HD LYS 59 2HD LYS 59 0.306 -7.929 9.025 357 1HE LYS 59 1HE LYS 59 -0.807 -9.081 7.289 358 2HE LYS 59 2HE LYS 59 0.850 -8.851 6.737 359 1HZ LYS 59 1HZ LYS 59 1.292 -11.165 7.575 360 2HZ LYS 59 2HZ LYS 59 -0.380 -11.341 7.768 361 3HZ LYS 59 3HZ LYS 59 0.266 -11.060 6.230 362 H GLN 60 H GLN 60 5.536 -7.772 5.698 363 HA GLN 60 HA GLN 60 3.919 -8.994 3.817 364 1HB GLN 60 1HB GLN 60 6.687 -8.039 3.875 365 2HB GLN 60 2HB GLN 60 6.278 -9.140 2.590 366 1HG GLN 60 1HG GLN 60 4.445 -7.677 1.953 367 2HG GLN 60 2HG GLN 60 4.922 -6.565 3.220 368 H SER 61 H SER 61 6.740 -10.317 5.461 369 HA SER 61 HA SER 61 6.162 -12.935 4.283 370 1HB SER 61 1HB SER 61 8.478 -13.143 5.839 371 2HB SER 61 2HB SER 61 8.401 -12.969 4.085 372 HG SER 61 HG SER 61 8.915 -10.907 4.239 373 H LEU 62 H LEU 62 4.767 -11.504 6.611 374 HA LEU 62 HA LEU 62 5.117 -13.611 8.630 375 1HB LEU 62 1HB LEU 62 4.528 -10.733 8.805 376 2HB LEU 62 2HB LEU 62 3.696 -11.760 9.946 377 HG LEU 62 HG LEU 62 5.683 -10.864 10.970 378 H1 MET 101 H1 MET 101 2.082 -14.020 4.589 379 H2 MET 101 H2 MET 101 2.104 -14.545 6.200 380 H3 MET 101 H3 MET 101 2.765 -15.517 4.978 381 HA MET 101 HA MET 101 0.657 -15.898 4.001 382 1HB MET 101 1HB MET 101 -0.269 -17.319 5.612 383 2HB MET 101 2HB MET 101 1.414 -17.189 6.099 384 1HG MET 101 1HG MET 101 0.921 -16.060 8.006 385 2HG MET 101 2HG MET 101 -0.486 -15.267 7.303 386 1HE MET 101 1HE MET 101 -1.391 -15.564 9.656 387 2HE MET 101 2HE MET 101 -2.190 -17.022 10.245 388 3HE MET 101 3HE MET 101 -0.446 -16.836 10.429 389 H LYS 102 H LYS 102 -1.689 -15.667 4.151 390 HA LYS 102 HA LYS 102 -2.506 -13.124 5.372 391 1HB LYS 102 1HB LYS 102 -2.185 -12.825 2.948 392 2HB LYS 102 2HB LYS 102 -3.319 -14.134 2.646 393 1HG LYS 102 1HG LYS 102 -4.965 -12.689 4.040 394 2HG LYS 102 2HG LYS 102 -3.842 -11.379 3.671 395 1HD LYS 102 1HD LYS 102 -5.512 -11.326 1.996 396 2HD LYS 102 2HD LYS 102 -4.078 -12.021 1.244 397 1HE LYS 102 1HE LYS 102 -6.080 -13.244 0.596 398 2HE LYS 102 2HE LYS 102 -5.001 -14.262 1.542 399 1HZ LYS 102 1HZ LYS 102 -6.394 -13.844 3.493 400 2HZ LYS 102 2HZ LYS 102 -7.440 -12.898 2.555 401 3HZ LYS 102 3HZ LYS 102 -7.283 -14.551 2.244 402 HA PRO 103 HA PRO 103 -5.591 -16.010 6.997 403 1HB PRO 103 1HB PRO 103 -6.370 -13.791 8.689 404 2HB PRO 103 2HB PRO 103 -5.646 -15.326 9.152 405 1HG PRO 103 1HG PRO 103 -4.332 -12.965 9.354 406 2HG PRO 103 2HG PRO 103 -3.508 -14.507 9.054 407 1HD PRO 103 1HD PRO 103 -4.237 -12.337 7.125 408 2HD PRO 103 2HD PRO 103 -2.752 -13.314 7.225 409 H VAL 104 H VAL 104 -7.990 -14.958 7.986 410 HA VAL 104 HA VAL 104 -9.451 -14.431 5.628 411 HB VAL 104 HB VAL 104 -10.413 -13.530 8.310 412 H THR 105 H THR 105 -10.233 -12.492 4.828 413 HA THR 105 HA THR 105 -9.391 -10.045 6.165 414 HB THR 105 HB THR 105 -8.351 -9.265 3.893 415 HG1 THR 105 HG1 THR 105 -8.724 -11.955 3.512 416 H LEU 106 H LEU 106 -9.832 -8.195 4.292 417 HA LEU 106 HA LEU 106 -12.702 -8.326 4.118 418 1HB LEU 106 1HB LEU 106 -11.924 -6.242 2.433 419 2HB LEU 106 2HB LEU 106 -12.565 -6.121 4.053 420 HG LEU 106 HG LEU 106 -10.063 -6.386 4.758 421 H TYR 107 H TYR 107 -10.082 -9.141 2.040 422 HA TYR 107 HA TYR 107 -11.387 -8.959 -0.441 423 1HB TYR 107 1HB TYR 107 -9.303 -11.015 0.276 424 2HB TYR 107 2HB TYR 107 -9.607 -10.273 -1.284 425 HD1 TYR 107 HD1 TYR 107 -9.455 -7.483 -0.963 426 HD2 TYR 107 HD2 TYR 107 -7.263 -10.464 1.124 427 HE1 TYR 107 HE1 TYR 107 -7.644 -5.870 -0.579 428 HE2 TYR 107 HE2 TYR 107 -5.450 -8.858 1.531 429 HH TYR 107 HH TYR 107 -4.592 -6.746 0.418 430 H ASP 108 H ASP 108 -11.097 -11.459 1.991 431 HA ASP 108 HA ASP 108 -12.311 -13.569 0.604 432 1HB ASP 108 1HB ASP 108 -11.974 -12.973 3.563 433 2HB ASP 108 2HB ASP 108 -12.536 -14.511 2.941 434 H VAL 109 H VAL 109 -13.562 -11.507 3.203 435 HA VAL 109 HA VAL 109 -16.167 -12.493 2.863 436 HB VAL 109 HB VAL 109 -16.603 -11.512 4.766 437 H ALA 110 H ALA 110 -14.446 -10.014 1.201 438 HA ALA 110 HA ALA 110 -16.758 -8.721 0.111 439 1HB ALA 110 1HB ALA 110 -13.928 -8.777 -0.930 440 2HB ALA 110 2HB ALA 110 -15.210 -7.705 -1.492 441 3HB ALA 110 3HB ALA 110 -14.605 -7.569 0.161 442 H GLU 111 H GLU 111 -14.707 -11.397 -0.728 443 HA GLU 111 HA GLU 111 -15.656 -11.879 -3.369 444 1HB GLU 111 1HB GLU 111 -13.686 -12.864 -1.693 445 2HB GLU 111 2HB GLU 111 -14.771 -14.222 -1.875 446 1HG GLU 111 1HG GLU 111 -13.547 -12.677 -4.144 447 2HG GLU 111 2HG GLU 111 -12.973 -14.219 -3.533 448 H TYR 112 H TYR 112 -16.316 -13.070 -0.217 449 HA TYR 112 HA TYR 112 -18.288 -14.989 -0.687 450 1HB TYR 112 1HB TYR 112 -16.894 -13.954 1.407 451 2HB TYR 112 2HB TYR 112 -18.502 -13.355 1.708 452 HD1 TYR 112 HD1 TYR 112 -16.933 -16.607 0.721 453 HD2 TYR 112 HD2 TYR 112 -19.772 -14.556 3.118 454 HE1 TYR 112 HE1 TYR 112 -17.531 -18.728 1.820 455 HE2 TYR 112 HE2 TYR 112 -20.374 -16.640 4.218 456 HH TYR 112 HH TYR 112 -20.188 -18.873 4.184 457 H ALA 113 H ALA 113 -18.585 -11.760 0.544 458 HA ALA 113 HA ALA 113 -21.353 -11.542 0.472 459 1HB ALA 113 1HB ALA 113 -20.082 -10.099 1.858 460 2HB ALA 113 2HB ALA 113 -20.956 -9.097 0.699 461 3HB ALA 113 3HB ALA 113 -19.239 -9.420 0.465 462 H GLY 114 H GLY 114 -19.077 -11.230 -2.077 463 1HA GLY 114 1HA GLY 114 -21.212 -10.882 -3.987 464 2HA GLY 114 2HA GLY 114 -19.502 -11.081 -4.352 465 H VAL 115 H VAL 115 -18.439 -9.033 -2.868 466 HA VAL 115 HA VAL 115 -19.290 -6.688 -4.376 467 HB VAL 115 HB VAL 115 -19.060 -5.256 -2.364 468 H SER 116 H SER 116 -17.520 -4.903 -3.300 469 HA SER 116 HA SER 116 -14.933 -6.162 -3.918 470 1HB SER 116 1HB SER 116 -14.160 -4.010 -4.647 471 2HB SER 116 2HB SER 116 -15.748 -4.249 -5.377 472 HG SER 116 HG SER 116 -16.636 -2.902 -3.821 473 H VAL 117 H VAL 117 -13.135 -4.581 -2.806 474 HA VAL 117 HA VAL 117 -13.533 -5.034 0.002 475 HB VAL 117 HB VAL 117 -11.255 -4.245 0.251 476 H ALA 118 H ALA 118 -14.034 -2.580 -2.254 477 HA ALA 118 HA ALA 118 -13.754 -0.329 -0.562 478 1HB ALA 118 1HB ALA 118 -15.300 -0.694 -3.124 479 2HB ALA 118 2HB ALA 118 -15.024 0.856 -2.323 480 3HB ALA 118 3HB ALA 118 -13.662 -0.063 -2.960 481 H THR 119 H THR 119 -16.290 -2.661 -1.246 482 HA THR 119 HA THR 119 -18.348 -1.200 0.056 483 HB THR 119 HB THR 119 -18.553 -4.129 -0.210 484 HG1 THR 119 HG1 THR 119 -18.833 -2.733 -2.605 485 H VAL 120 H VAL 120 -16.452 -4.050 0.847 486 HA VAL 120 HA VAL 120 -17.503 -4.532 3.388 487 HB VAL 120 HB VAL 120 -14.897 -5.309 2.120 488 H SER 121 H SER 121 -14.644 -2.611 2.492 489 HA SER 121 HA SER 121 -13.692 -2.140 5.040 490 1HB SER 121 1HB SER 121 -12.248 -1.496 3.351 491 2HB SER 121 2HB SER 121 -13.508 -0.665 2.445 492 HG SER 121 HG SER 121 -12.034 0.197 4.675 493 H ARG 122 H ARG 122 -16.424 -0.720 3.295 494 HA ARG 122 HA ARG 122 -16.780 1.494 5.019 495 1HB ARG 122 1HB ARG 122 -19.035 0.075 3.671 496 2HB ARG 122 2HB ARG 122 -18.918 1.757 4.104 497 1HG ARG 122 1HG ARG 122 -17.250 0.459 1.983 498 2HG ARG 122 2HG ARG 122 -18.754 1.331 1.691 499 1HD ARG 122 1HD ARG 122 -17.738 3.347 2.693 500 2HD ARG 122 2HD ARG 122 -16.225 2.463 2.885 501 HE ARG 122 HE ARG 122 -16.522 2.166 0.318 502 1HH1 ARG 122 1HH1 ARG 122 -17.197 5.028 2.221 503 1HH2 ARG 122 1HH2 ARG 122 -16.179 3.618 -1.428 504 2HH1 ARG 122 2HH1 ARG 122 -16.940 6.128 0.902 505 2HH2 ARG 122 2HH2 ARG 122 -16.352 5.326 -1.167 506 H VAL 123 H VAL 123 -18.040 -1.782 5.021 507 HA VAL 123 HA VAL 123 -19.699 -1.428 7.308 508 HB VAL 123 HB VAL 123 -18.556 -4.003 6.238 509 H VAL 124 H VAL 124 -16.454 -2.599 6.703 510 HA VAL 124 HA VAL 124 -15.668 -3.265 9.291 511 HB VAL 124 HB VAL 124 -14.247 -2.248 6.841 512 H ASN 125 H ASN 125 -15.897 -0.289 7.563 513 HA ASN 125 HA ASN 125 -14.775 1.380 9.655 514 1HB ASN 125 1HB ASN 125 -15.778 1.797 6.900 515 2HB ASN 125 2HB ASN 125 -15.946 3.162 7.998 516 1HD2 ASN 125 1HD2 ASN 125 -13.845 1.289 6.081 517 1HD2 ASN 125 1HD2 ASN 125 -12.389 2.181 6.416 518 H GLN 126 H GLN 126 -17.391 -0.289 9.750 519 HA GLN 126 HA GLN 126 -19.034 -0.198 11.357 520 1HB GLN 126 1HB GLN 126 -18.358 2.674 11.358 521 2HB GLN 126 2HB GLN 126 -19.935 2.183 11.955 522 1HG GLN 126 1HG GLN 126 -17.874 2.398 13.532 523 2HG GLN 126 2HG GLN 126 -19.071 1.140 13.782 524 H ALA 127 H ALA 127 -18.936 1.755 8.528 525 HA ALA 127 HA ALA 127 -20.232 1.480 6.651 526 1HB ALA 127 1HB ALA 127 -22.496 0.633 8.464 527 2HB ALA 127 2HB ALA 127 -22.540 0.710 6.702 528 3HB ALA 127 3HB ALA 127 -21.477 -0.443 7.510 529 H SER 128 H SER 128 -21.787 2.873 5.716 530 HA SER 128 HA SER 128 -23.161 4.953 6.862 531 1HB SER 128 1HB SER 128 -20.264 5.563 6.464 532 2HB SER 128 2HB SER 128 -21.451 6.835 6.217 533 HG SER 128 HG SER 128 -21.345 5.267 8.577 534 H HIS 129 H HIS 129 -21.250 3.622 4.389 535 HA HIS 129 HA HIS 129 -22.933 4.863 2.338 536 1HB HIS 129 1HB HIS 129 -19.938 4.692 2.382 537 2HB HIS 129 2HB HIS 129 -20.773 4.539 0.837 538 HD1 HIS 129 HD1 HIS 129 -20.052 6.798 -0.131 539 HD2 HIS 129 HD2 HIS 129 -21.927 7.101 3.564 540 HE1 HIS 129 HE1 HIS 129 -20.569 9.241 0.174 541 HE2 HIS 129 HE2 HIS 129 -21.497 9.416 2.509 542 H VAL 130 H VAL 130 -23.275 2.550 3.762 543 HA VAL 130 HA VAL 130 -23.067 0.485 1.710 544 HB VAL 130 HB VAL 130 -22.222 0.377 4.558 545 H SER 131 H SER 131 -25.075 -0.273 1.179 546 HA SER 131 HA SER 131 -27.400 0.614 2.455 547 1HB SER 131 1HB SER 131 -27.291 -1.928 0.850 548 2HB SER 131 2HB SER 131 -28.554 -0.691 0.889 549 HG SER 131 HG SER 131 -27.142 0.701 -0.228 550 H ALA 132 H ALA 132 -28.884 -0.511 3.794 551 HA ALA 132 HA ALA 132 -27.904 -1.890 5.942 552 1HB ALA 132 1HB ALA 132 -30.111 -0.861 5.892 553 2HB ALA 132 2HB ALA 132 -30.203 -2.536 6.437 554 3HB ALA 132 3HB ALA 132 -30.680 -2.116 4.791 555 H LYS 133 H LYS 133 -29.343 -3.268 3.001 556 HA LYS 133 HA LYS 133 -29.159 -5.945 3.731 557 1HB LYS 133 1HB LYS 133 -29.956 -4.525 1.472 558 2HB LYS 133 2HB LYS 133 -28.685 -5.608 0.923 559 1HG LYS 133 1HG LYS 133 -31.036 -6.511 2.557 560 2HG LYS 133 2HG LYS 133 -30.995 -6.536 0.799 561 1HD LYS 133 1HD LYS 133 -29.418 -8.213 0.722 562 2HD LYS 133 2HD LYS 133 -28.781 -7.825 2.319 563 1HE LYS 133 1HE LYS 133 -31.434 -9.124 1.725 564 2HE LYS 133 2HE LYS 133 -29.997 -9.941 2.336 565 1HZ LYS 133 1HZ LYS 133 -30.252 -8.078 4.193 566 2HZ LYS 133 2HZ LYS 133 -31.877 -8.200 3.731 567 3HZ LYS 133 3HZ LYS 133 -31.055 -9.563 4.284 568 H THR 134 H THR 134 -26.820 -3.869 2.128 569 HA THR 134 HA THR 134 -24.871 -5.825 1.622 570 HB THR 134 HB THR 134 -24.411 -2.931 2.146 571 HG1 THR 134 HG1 THR 134 -24.502 -2.926 -0.284 572 H ARG 135 H ARG 135 -25.339 -3.592 4.298 573 HA ARG 135 HA ARG 135 -23.149 -4.211 5.832 574 1HB ARG 135 1HB ARG 135 -24.669 -2.441 6.476 575 2HB ARG 135 2HB ARG 135 -25.982 -3.583 6.718 576 1HG ARG 135 1HG ARG 135 -23.486 -3.843 8.341 577 2HG ARG 135 2HG ARG 135 -24.670 -2.621 8.760 578 1HD ARG 135 1HD ARG 135 -26.370 -4.378 8.864 579 2HD ARG 135 2HD ARG 135 -25.121 -5.564 8.541 580 HE ARG 135 HE ARG 135 -24.189 -5.161 10.675 581 1HH1 ARG 135 1HH1 ARG 135 -27.169 -3.392 10.106 582 1HH2 ARG 135 1HH2 ARG 135 -24.578 -4.767 12.888 583 2HH1 ARG 135 2HH1 ARG 135 -27.462 -3.097 11.789 584 2HH2 ARG 135 2HH2 ARG 135 -25.989 -3.877 13.374 585 H GLU 136 H GLU 136 -26.229 -5.884 5.677 586 HA GLU 136 HA GLU 136 -25.562 -7.908 7.563 587 1HB GLU 136 1HB GLU 136 -27.648 -7.869 5.420 588 2HB GLU 136 2HB GLU 136 -27.565 -9.056 6.690 589 1HG GLU 136 1HG GLU 136 -28.180 -7.533 8.306 590 2HG GLU 136 2HG GLU 136 -27.798 -6.154 7.282 591 H LYS 137 H LYS 137 -25.398 -7.539 4.135 592 HA LYS 137 HA LYS 137 -24.807 -10.063 3.199 593 1HB LYS 137 1HB LYS 137 -25.270 -8.066 1.805 594 2HB LYS 137 2HB LYS 137 -23.722 -7.402 2.283 595 1HG LYS 137 1HG LYS 137 -22.786 -9.617 1.312 596 2HG LYS 137 2HG LYS 137 -24.309 -9.622 0.414 597 1HD LYS 137 1HD LYS 137 -22.611 -7.156 0.495 598 2HD LYS 137 2HD LYS 137 -22.209 -8.470 -0.610 599 1HE LYS 137 1HE LYS 137 -24.868 -7.079 -0.489 600 2HE LYS 137 2HE LYS 137 -23.598 -6.716 -1.648 601 1HZ LYS 137 1HZ LYS 137 -23.759 -9.155 -2.279 602 2HZ LYS 137 2HZ LYS 137 -25.216 -9.181 -1.422 603 3HZ LYS 137 3HZ LYS 137 -25.038 -8.155 -2.758 604 H VAL 138 H VAL 138 -22.571 -7.596 4.232 605 HA VAL 138 HA VAL 138 -20.321 -9.334 3.797 606 HB VAL 138 HB VAL 138 -18.948 -7.599 3.803 607 H GLU 139 H GLU 139 -22.073 -8.078 6.615 608 HA GLU 139 HA GLU 139 -20.221 -8.858 8.543 609 1HB GLU 139 1HB GLU 139 -23.202 -8.468 8.543 610 2HB GLU 139 2HB GLU 139 -22.333 -8.960 9.977 611 1HG GLU 139 1HG GLU 139 -20.934 -6.777 8.935 612 2HG GLU 139 2HG GLU 139 -22.648 -6.360 8.855 613 H ALA 140 H ALA 140 -22.832 -10.519 6.914 614 HA ALA 140 HA ALA 140 -22.688 -12.910 8.359 615 1HB ALA 140 1HB ALA 140 -23.498 -12.580 5.477 616 2HB ALA 140 2HB ALA 140 -24.564 -12.333 6.858 617 3HB ALA 140 3HB ALA 140 -23.901 -13.936 6.529 618 H ALA 141 H ALA 141 -21.027 -11.760 5.514 619 HA ALA 141 HA ALA 141 -19.622 -14.113 4.893 620 1HB ALA 141 1HB ALA 141 -19.874 -12.323 3.278 621 2HB ALA 141 2HB ALA 141 -18.163 -12.627 3.576 622 3HB ALA 141 3HB ALA 141 -18.950 -11.232 4.313 623 H MET 142 H MET 142 -18.785 -11.216 6.724 624 HA MET 142 HA MET 142 -16.212 -11.803 7.473 625 1HB MET 142 1HB MET 142 -18.429 -10.403 8.944 626 2HB MET 142 2HB MET 142 -16.788 -10.464 9.545 627 1HG MET 142 1HG MET 142 -15.994 -9.221 7.647 628 2HG MET 142 2HG MET 142 -17.607 -9.262 6.920 629 1HE MET 142 1HE MET 142 -15.671 -6.695 7.605 630 2HE MET 142 2HE MET 142 -17.179 -6.505 6.709 631 3HE MET 142 3HE MET 142 -16.862 -5.505 8.130 632 H ALA 143 H ALA 143 -19.211 -12.697 8.853 633 HA ALA 143 HA ALA 143 -18.345 -13.856 11.255 634 1HB ALA 143 1HB ALA 143 -20.596 -14.785 11.399 635 2HB ALA 143 2HB ALA 143 -20.872 -14.343 9.710 636 3HB ALA 143 3HB ALA 143 -20.609 -13.087 10.923 637 H GLU 144 H GLU 144 -19.188 -15.426 8.182 638 HA GLU 144 HA GLU 144 -18.936 -18.046 9.079 639 1HB GLU 144 1HB GLU 144 -18.445 -17.003 6.339 640 2HB GLU 144 2HB GLU 144 -18.850 -18.654 6.770 641 1HG GLU 144 1HG GLU 144 -20.844 -17.099 7.899 642 2HG GLU 144 2HG GLU 144 -20.527 -16.398 6.320 643 H LEU 145 H LEU 145 -16.682 -15.982 7.373 644 HA LEU 145 HA LEU 145 -14.579 -17.884 7.346 645 1HB LEU 145 1HB LEU 145 -14.279 -14.933 6.959 646 2HB LEU 145 2HB LEU 145 -13.393 -16.234 6.207 647 HG LEU 145 HG LEU 145 -16.293 -16.052 5.630 648 H ASN 146 H ASN 146 -15.626 -15.418 9.528 649 HA ASN 146 HA ASN 146 -14.958 -14.836 11.620 650 1HB ASN 146 1HB ASN 146 -14.245 -17.108 12.077 651 2HB ASN 146 2HB ASN 146 -12.760 -16.827 11.202 652 1HD2 ASN 146 1HD2 ASN 146 -14.527 -16.222 14.078 653 1HD2 ASN 146 1HD2 ASN 146 -13.196 -15.641 15.013 654 H TYR 147 H TYR 147 -14.754 -13.071 10.065 655 HA TYR 147 HA TYR 147 -12.191 -12.222 9.167 656 1HB TYR 147 1HB TYR 147 -14.187 -11.553 7.949 657 2HB TYR 147 2HB TYR 147 -14.831 -10.775 9.387 658 HD1 TYR 147 HD1 TYR 147 -11.630 -10.627 7.447 659 HD2 TYR 147 HD2 TYR 147 -14.735 -8.482 9.408 660 HE1 TYR 147 HE1 TYR 147 -10.536 -8.504 6.857 661 HE2 TYR 147 HE2 TYR 147 -13.648 -6.366 8.825 662 HH TYR 147 HH TYR 147 -10.857 -6.236 6.716 663 H ILE 148 H ILE 148 -10.714 -10.992 10.129 664 HA ILE 148 HA ILE 148 -11.494 -9.214 12.313 665 HB ILE 148 HB ILE 148 -9.132 -11.106 12.429 666 HA PRO 149 HA PRO 149 -8.989 -6.783 9.523 667 1HB PRO 149 1HB PRO 149 -9.632 -4.368 10.554 668 2HB PRO 149 2HB PRO 149 -10.721 -5.278 9.498 669 1HG PRO 149 1HG PRO 149 -10.817 -4.879 12.430 670 2HG PRO 149 2HG PRO 149 -12.136 -5.112 11.274 671 1HD PRO 149 1HD PRO 149 -11.059 -7.053 12.988 672 2HD PRO 149 2HD PRO 149 -12.134 -7.360 11.613 673 H ASN 150 H ASN 150 -7.242 -5.069 9.812 674 HA ASN 150 HA ASN 150 -5.833 -5.582 12.310 675 1HB ASN 150 1HB ASN 150 -5.014 -5.464 9.452 676 2HB ASN 150 2HB ASN 150 -3.905 -4.742 10.625 677 1HD2 ASN 150 1HD2 ASN 150 -3.858 -7.187 8.908 678 1HD2 ASN 150 1HD2 ASN 150 -3.453 -8.462 10.005 679 H ARG 151 H ARG 151 -5.538 -3.892 13.570 680 HA ARG 151 HA ARG 151 -6.706 -1.410 13.133 681 1HB ARG 151 1HB ARG 151 -5.341 -2.710 15.228 682 2HB ARG 151 2HB ARG 151 -4.574 -1.146 15.010 683 1HG ARG 151 1HG ARG 151 -6.326 -0.974 16.642 684 2HG ARG 151 2HG ARG 151 -6.771 -0.066 15.207 685 1HD ARG 151 1HD ARG 151 -7.861 -2.442 14.623 686 2HD ARG 151 2HD ARG 151 -7.964 -2.473 16.376 687 HE ARG 151 HE ARG 151 -8.908 -0.006 15.634 688 1HH1 ARG 151 1HH1 ARG 151 -9.787 -3.330 14.966 689 1HH2 ARG 151 1HH2 ARG 151 -11.134 0.460 15.378 690 2HH1 ARG 151 2HH1 ARG 151 -11.475 -2.982 14.780 691 2HH2 ARG 151 2HH2 ARG 151 -12.238 -0.825 15.010 692 H CYS 152 H CYS 152 -3.522 -2.484 12.245 693 HA CYS 152 HA CYS 152 -2.378 0.151 12.032 694 1HB CYS 152 1HB CYS 152 -1.220 -2.217 12.270 695 2HB CYS 152 2HB CYS 152 -1.344 -2.191 10.511 696 H ALA 153 H ALA 153 -3.309 -2.285 9.684 697 HA ALA 153 HA ALA 153 -3.104 -0.804 7.411 698 1HB ALA 153 1HB ALA 153 -5.296 -2.791 8.017 699 2HB ALA 153 2HB ALA 153 -4.787 -2.266 6.412 700 3HB ALA 153 3HB ALA 153 -3.680 -3.186 7.427 701 H GLN 154 H GLN 154 -5.727 -0.815 9.746 702 HA GLN 154 HA GLN 154 -7.491 0.886 8.343 703 1HB GLN 154 1HB GLN 154 -7.215 0.321 11.294 704 2HB GLN 154 2HB GLN 154 -8.585 1.108 10.528 705 1HG GLN 154 1HG GLN 154 -8.744 -1.029 9.107 706 2HG GLN 154 2HG GLN 154 -7.729 -1.740 10.354 707 H GLN 155 H GLN 155 -5.088 1.392 10.878 708 HA GLN 155 HA GLN 155 -5.450 4.159 11.199 709 1HB GLN 155 1HB GLN 155 -3.261 2.244 11.825 710 2HB GLN 155 2HB GLN 155 -2.948 3.962 11.979 711 1HG GLN 155 1HG GLN 155 -4.564 2.159 13.623 712 2HG GLN 155 2HG GLN 155 -3.669 3.613 14.075 713 H LEU 156 H LEU 156 -3.095 2.372 9.239 714 HA LEU 156 HA LEU 156 -1.783 4.578 8.121 715 1HB LEU 156 1HB LEU 156 -1.264 2.035 8.139 716 2HB LEU 156 2HB LEU 156 -2.234 1.989 6.677 717 HG LEU 156 HG LEU 156 -0.681 3.445 5.535 718 H ALA 157 H ALA 157 -4.066 2.473 6.530 719 HA ALA 157 HA ALA 157 -4.609 4.018 4.305 720 1HB ALA 157 1HB ALA 157 -6.666 2.244 5.604 721 2HB ALA 157 2HB ALA 157 -6.539 2.679 3.900 722 3HB ALA 157 3HB ALA 157 -5.314 1.650 4.640 723 H GLY 158 H GLY 158 -5.950 4.367 7.506 724 1HA GLY 158 1HA GLY 158 -7.575 5.778 8.348 725 2HA GLY 158 2HA GLY 158 -8.102 6.084 6.699 726 H LYS 159 H LYS 159 -4.811 6.555 6.937 727 HA LYS 159 HA LYS 159 -4.978 9.317 7.790 728 1HB LYS 159 1HB LYS 159 -3.143 7.615 8.446 729 2HB LYS 159 2HB LYS 159 -2.497 7.960 6.856 730 1HG LYS 159 1HG LYS 159 -2.739 10.456 7.698 731 2HG LYS 159 2HG LYS 159 -2.588 9.663 9.268 732 1HD LYS 159 1HD LYS 159 -0.387 10.210 8.654 733 2HD LYS 159 2HD LYS 159 -0.542 8.492 8.286 734 1HE LYS 159 1HE LYS 159 0.568 9.522 6.445 735 2HE LYS 159 2HE LYS 159 -1.071 9.131 5.926 736 1HZ LYS 159 1HZ LYS 159 -1.697 11.444 6.296 737 2HZ LYS 159 2HZ LYS 159 -0.123 11.809 6.789 738 3HZ LYS 159 3HZ LYS 159 -0.418 11.335 5.196 739 H GLN 160 H GLN 160 -5.726 7.916 5.035 740 HA GLN 160 HA GLN 160 -4.168 9.030 3.039 741 1HB GLN 160 1HB GLN 160 -6.876 7.931 3.219 742 2HB GLN 160 2HB GLN 160 -6.534 8.905 1.815 743 1HG GLN 160 1HG GLN 160 -4.575 7.465 1.400 744 2HG GLN 160 2HG GLN 160 -5.130 6.438 2.708 745 H SER 161 H SER 161 -6.998 10.356 4.639 746 HA SER 161 HA SER 161 -6.663 12.858 3.159 747 1HB SER 161 1HB SER 161 -8.920 12.602 5.018 748 2HB SER 161 2HB SER 161 -8.898 13.184 3.359 749 HG SER 161 HG SER 161 -9.085 11.143 2.616 750 H LEU 162 H LEU 162 -5.069 11.791 5.546 751 HA LEU 162 HA LEU 162 -5.526 14.037 7.382 752 1HB LEU 162 1HB LEU 162 -4.627 11.261 7.768 753 2HB LEU 162 2HB LEU 162 -3.853 12.468 8.768 754 HG LEU 162 HG LEU 162 -5.710 11.415 9.940 No H/Q in entry = 754 Start of MODEL 9 1 H1 MET 1 H1 MET 1 -2.201 15.348 6.151 2 H2 MET 1 H2 MET 1 -2.916 16.699 5.423 3 H3 MET 1 H3 MET 1 -2.478 15.368 4.480 4 HA MET 1 HA MET 1 -0.901 17.122 4.171 5 1HB MET 1 1HB MET 1 -0.715 16.941 7.174 6 2HB MET 1 2HB MET 1 0.574 17.640 6.206 7 1HG MET 1 1HG MET 1 -2.277 18.605 6.302 8 2HG MET 1 2HG MET 1 -0.899 19.352 7.111 9 1HE MET 1 1HE MET 1 -1.652 21.619 6.000 10 2HE MET 1 2HE MET 1 -1.748 21.895 4.260 11 3HE MET 1 3HE MET 1 -2.939 20.870 5.058 12 H LYS 2 H LYS 2 1.302 16.624 3.778 13 HA LYS 2 HA LYS 2 2.043 13.864 4.491 14 1HB LYS 2 1HB LYS 2 1.381 14.139 2.103 15 2HB LYS 2 2HB LYS 2 2.689 15.298 1.914 16 1HG LYS 2 1HG LYS 2 4.080 13.249 2.912 17 2HG LYS 2 2HG LYS 2 2.777 12.358 2.122 18 1HD LYS 2 1HD LYS 2 4.224 12.531 0.370 19 2HD LYS 2 2HD LYS 2 3.333 14.035 0.145 20 1HE LYS 2 1HE LYS 2 5.637 14.574 -0.038 21 2HE LYS 2 2HE LYS 2 5.101 15.161 1.535 22 1HZ LYS 2 1HZ LYS 2 6.318 12.489 1.285 23 2HZ LYS 2 2HZ LYS 2 7.302 13.863 1.371 24 3HZ LYS 2 3HZ LYS 2 6.238 13.503 2.639 25 HA PRO 3 HA PRO 3 5.517 16.286 6.124 26 1HB PRO 3 1HB PRO 3 6.166 13.903 7.619 27 2HB PRO 3 2HB PRO 3 5.602 15.455 8.225 28 1HG PRO 3 1HG PRO 3 4.122 13.173 8.329 29 2HG PRO 3 2HG PRO 3 3.410 14.796 8.245 30 1HD PRO 3 1HD PRO 3 3.784 12.772 6.073 31 2HD PRO 3 2HD PRO 3 2.421 13.875 6.374 32 H VAL 4 H VAL 4 7.872 15.274 6.735 33 HA VAL 4 HA VAL 4 9.081 14.572 4.298 34 HB VAL 4 HB VAL 4 10.268 13.834 6.940 35 H THR 5 H THR 5 9.886 12.573 3.583 36 HA THR 5 HA THR 5 9.073 10.207 5.082 37 HB THR 5 HB THR 5 7.981 9.256 2.959 38 HG1 THR 5 HG1 THR 5 8.357 11.922 2.268 39 H LEU 6 H LEU 6 9.552 8.195 3.549 40 HA LEU 6 HA LEU 6 12.388 8.313 3.204 41 1HB LEU 6 1HB LEU 6 11.699 6.043 1.832 42 2HB LEU 6 2HB LEU 6 12.178 6.132 3.511 43 HG LEU 6 HG LEU 6 9.568 6.514 3.836 44 H TYR 7 H TYR 7 9.690 8.816 1.112 45 HA TYR 7 HA TYR 7 10.953 8.417 -1.364 46 1HB TYR 7 1HB TYR 7 8.636 10.099 -0.438 47 2HB TYR 7 2HB TYR 7 9.185 10.137 -2.105 48 HD1 TYR 7 HD1 TYR 7 7.514 8.150 0.467 49 HD2 TYR 7 HD2 TYR 7 8.806 8.245 -3.584 50 HE1 TYR 7 HE1 TYR 7 6.060 6.235 -0.038 51 HE2 TYR 7 HE2 TYR 7 7.359 6.325 -4.097 52 HH TYR 7 HH TYR 7 4.886 5.369 -2.287 53 H ASP 8 H ASP 8 10.649 11.142 0.804 54 HA ASP 8 HA ASP 8 11.796 13.113 -0.845 55 1HB ASP 8 1HB ASP 8 11.370 12.850 2.136 56 2HB ASP 8 2HB ASP 8 12.051 14.297 1.408 57 H VAL 9 H VAL 9 13.103 11.362 1.963 58 HA VAL 9 HA VAL 9 15.675 12.398 1.494 59 HB VAL 9 HB VAL 9 16.167 11.640 3.485 60 H ALA 10 H ALA 10 14.006 9.702 0.147 61 HA ALA 10 HA ALA 10 16.329 8.359 -0.851 62 1HB ALA 10 1HB ALA 10 13.492 8.230 -1.865 63 2HB ALA 10 2HB ALA 10 14.797 7.120 -2.288 64 3HB ALA 10 3HB ALA 10 14.189 7.179 -0.629 65 H GLU 11 H GLU 11 14.175 10.840 -1.920 66 HA GLU 11 HA GLU 11 15.078 11.054 -4.605 67 1HB GLU 11 1HB GLU 11 13.119 12.215 -2.935 68 2HB GLU 11 2HB GLU 11 14.078 13.538 -3.565 69 1HG GLU 11 1HG GLU 11 12.396 11.559 -5.030 70 2HG GLU 11 2HG GLU 11 12.442 13.312 -5.171 71 H TYR 12 H TYR 12 15.733 12.623 -1.610 72 HA TYR 12 HA TYR 12 17.595 14.566 -2.341 73 1HB TYR 12 1HB TYR 12 16.337 13.708 -0.096 74 2HB TYR 12 2HB TYR 12 17.962 13.145 0.186 75 HD1 TYR 12 HD1 TYR 12 16.256 16.272 -0.938 76 HD2 TYR 12 HD2 TYR 12 19.338 14.483 1.368 77 HE1 TYR 12 HE1 TYR 12 16.884 18.481 -0.069 78 HE2 TYR 12 HE2 TYR 12 19.968 16.668 2.239 79 HH TYR 12 HH TYR 12 19.701 18.884 2.040 80 H ALA 13 H ALA 13 18.056 11.490 -0.842 81 HA ALA 13 HA ALA 13 20.813 11.324 -0.969 82 1HB ALA 13 1HB ALA 13 18.748 9.163 -0.797 83 2HB ALA 13 2HB ALA 13 19.632 9.925 0.524 84 3HB ALA 13 3HB ALA 13 20.478 8.875 -0.613 85 H GLY 14 H GLY 14 18.442 10.568 -3.391 86 1HA GLY 14 1HA GLY 14 20.575 10.204 -5.333 87 2HA GLY 14 2HA GLY 14 18.853 10.343 -5.681 88 H VAL 15 H VAL 15 17.879 8.407 -3.965 89 HA VAL 15 HA VAL 15 18.790 5.956 -5.254 90 HB VAL 15 HB VAL 15 18.606 4.720 -3.117 91 H SER 16 H SER 16 17.076 4.220 -3.995 92 HA SER 16 HA SER 16 14.463 5.297 -4.798 93 1HB SER 16 1HB SER 16 13.753 3.028 -5.173 94 2HB SER 16 2HB SER 16 15.332 3.203 -5.930 95 HG SER 16 HG SER 16 16.255 2.177 -4.150 96 H VAL 17 H VAL 17 12.645 3.984 -3.476 97 HA VAL 17 HA VAL 17 13.020 4.836 -0.770 98 HB VAL 17 HB VAL 17 10.749 4.071 -0.412 99 H ALA 18 H ALA 18 13.672 2.078 -2.554 100 HA ALA 18 HA ALA 18 13.343 0.140 -0.491 101 1HB ALA 18 1HB ALA 18 14.965 -0.042 -3.021 102 2HB ALA 18 2HB ALA 18 14.445 -1.388 -2.004 103 3HB ALA 18 3HB ALA 18 13.253 -0.437 -2.889 104 H THR 19 H THR 19 15.896 2.277 -1.614 105 HA THR 19 HA THR 19 17.978 1.019 -0.162 106 HB THR 19 HB THR 19 18.085 3.903 -0.857 107 HG1 THR 19 HG1 THR 19 18.440 2.012 -2.920 108 H VAL 20 H VAL 20 16.053 3.915 0.357 109 HA VAL 20 HA VAL 20 17.163 4.695 2.792 110 HB VAL 20 HB VAL 20 14.463 5.242 1.596 111 H SER 21 H SER 21 14.360 2.581 2.209 112 HA SER 21 HA SER 21 13.575 2.372 4.880 113 1HB SER 21 1HB SER 21 12.702 0.057 4.009 114 2HB SER 21 2HB SER 21 11.991 1.550 3.389 115 HG SER 21 HG SER 21 12.978 1.275 1.509 116 H ARG 22 H ARG 22 16.142 0.857 3.021 117 HA ARG 22 HA ARG 22 16.708 -1.228 4.819 118 1HB ARG 22 1HB ARG 22 18.492 0.300 2.949 119 2HB ARG 22 2HB ARG 22 18.992 -1.123 3.830 120 1HG ARG 22 1HG ARG 22 16.717 -1.090 1.883 121 2HG ARG 22 2HG ARG 22 18.374 -1.516 1.472 122 1HD ARG 22 1HD ARG 22 17.475 -3.595 1.871 123 2HD ARG 22 2HD ARG 22 18.126 -3.196 3.459 124 HE ARG 22 HE ARG 22 15.287 -2.920 2.715 125 1HH1 ARG 22 1HH1 ARG 22 17.787 -3.598 5.067 126 1HH2 ARG 22 1HH2 ARG 22 13.811 -3.473 4.370 127 2HH1 ARG 22 2HH1 ARG 22 16.671 -4.028 6.319 128 2HH2 ARG 22 2HH2 ARG 22 14.408 -3.960 5.924 129 H VAL 23 H VAL 23 18.074 1.991 4.419 130 HA VAL 23 HA VAL 23 19.854 1.846 6.615 131 HB VAL 23 HB VAL 23 18.649 4.343 5.445 132 H VAL 24 H VAL 24 16.603 3.124 6.235 133 HA VAL 24 HA VAL 24 16.165 4.046 8.826 134 HB VAL 24 HB VAL 24 14.527 3.182 6.524 135 H ASN 25 H ASN 25 16.158 0.913 7.405 136 HA ASN 25 HA ASN 25 15.274 -0.401 9.887 137 1HB ASN 25 1HB ASN 25 15.588 -1.247 7.043 138 2HB ASN 25 2HB ASN 25 15.756 -2.478 8.285 139 1HD2 ASN 25 1HD2 ASN 25 13.653 -0.670 6.406 140 1HD2 ASN 25 1HD2 ASN 25 12.166 -1.171 7.158 141 H GLN 26 H GLN 26 17.909 0.965 9.546 142 HA GLN 26 HA GLN 26 20.008 0.673 10.338 143 1HB GLN 26 1HB GLN 26 19.734 -2.150 11.117 144 2HB GLN 26 2HB GLN 26 20.475 -0.818 11.979 145 1HG GLN 26 1HG GLN 26 17.580 -1.532 11.824 146 2HG GLN 26 2HG GLN 26 18.610 -1.514 13.251 147 H ALA 27 H ALA 27 19.739 0.581 7.857 148 HA ALA 27 HA ALA 27 20.157 -0.291 5.803 149 1HB ALA 27 1HB ALA 27 22.744 -0.364 7.306 150 2HB ALA 27 2HB ALA 27 22.616 -0.482 5.550 151 3HB ALA 27 3HB ALA 27 22.048 0.966 6.385 152 H SER 28 H SER 28 22.616 -2.285 7.126 153 HA SER 28 HA SER 28 23.024 -4.514 7.162 154 1HB SER 28 1HB SER 28 20.068 -4.724 6.807 155 2HB SER 28 2HB SER 28 21.117 -6.108 7.082 156 HG SER 28 HG SER 28 20.878 -3.865 8.820 157 H HIS 29 H HIS 29 20.975 -3.330 4.593 158 HA HIS 29 HA HIS 29 22.563 -4.896 2.679 159 1HB HIS 29 1HB HIS 29 19.598 -4.654 2.838 160 2HB HIS 29 2HB HIS 29 20.325 -4.653 1.241 161 HD1 HIS 29 HD1 HIS 29 19.465 -6.964 0.559 162 HD2 HIS 29 HD2 HIS 29 21.660 -6.980 4.085 163 HE1 HIS 29 HE1 HIS 29 19.992 -9.380 1.023 164 HE2 HIS 29 HE2 HIS 29 21.395 -9.354 3.108 165 H VAL 30 H VAL 30 22.956 -2.249 3.658 166 HA VAL 30 HA VAL 30 22.780 -0.770 1.159 167 HB VAL 30 HB VAL 30 21.682 0.021 3.760 168 H SER 31 H SER 31 24.686 0.106 0.530 169 HA SER 31 HA SER 31 27.084 -0.515 1.790 170 1HB SER 31 1HB SER 31 27.423 1.812 0.186 171 2HB SER 31 2HB SER 31 27.766 0.133 -0.248 172 HG SER 31 HG SER 31 26.264 0.765 -1.698 173 H ALA 32 H ALA 32 28.557 0.746 2.968 174 HA ALA 32 HA ALA 32 27.614 2.262 5.052 175 1HB ALA 32 1HB ALA 32 30.345 2.261 3.791 176 2HB ALA 32 2HB ALA 32 29.786 1.270 5.139 177 3HB ALA 32 3HB ALA 32 29.968 3.013 5.341 178 H LYS 33 H LYS 33 29.060 3.475 2.032 179 HA LYS 33 HA LYS 33 28.820 6.187 2.646 180 1HB LYS 33 1HB LYS 33 29.913 4.802 0.591 181 2HB LYS 33 2HB LYS 33 28.488 5.480 -0.177 182 1HG LYS 33 1HG LYS 33 30.299 6.977 -0.536 183 2HG LYS 33 2HG LYS 33 29.193 7.726 0.616 184 1HD LYS 33 1HD LYS 33 30.738 6.648 2.406 185 2HD LYS 33 2HD LYS 33 31.902 6.539 1.087 186 1HE LYS 33 1HE LYS 33 32.354 8.572 2.212 187 2HE LYS 33 2HE LYS 33 31.537 9.000 0.709 188 1HZ LYS 33 1HZ LYS 33 30.122 8.739 3.308 189 2HZ LYS 33 2HZ LYS 33 30.754 10.203 2.733 190 3HZ LYS 33 3HZ LYS 33 29.536 9.418 1.868 191 H THR 34 H THR 34 26.565 3.961 1.173 192 HA THR 34 HA THR 34 24.607 5.859 0.477 193 HB THR 34 HB THR 34 24.145 2.999 1.145 194 HG1 THR 34 HG1 THR 34 24.957 2.489 -0.782 195 H ARG 35 H ARG 35 25.042 3.793 3.285 196 HA ARG 35 HA ARG 35 22.809 4.452 4.736 197 1HB ARG 35 1HB ARG 35 24.275 2.785 5.612 198 2HB ARG 35 2HB ARG 35 25.636 3.891 5.638 199 1HG ARG 35 1HG ARG 35 23.290 4.545 7.340 200 2HG ARG 35 2HG ARG 35 24.343 3.233 7.837 201 1HD ARG 35 1HD ARG 35 26.227 4.673 7.835 202 2HD ARG 35 2HD ARG 35 25.287 5.975 7.134 203 HE ARG 35 HE ARG 35 23.989 5.950 9.274 204 1HH1 ARG 35 1HH1 ARG 35 27.285 4.727 9.197 205 1HH2 ARG 35 1HH2 ARG 35 24.426 6.530 11.415 206 2HH1 ARG 35 2HH1 ARG 35 27.616 5.181 10.839 207 2HH2 ARG 35 2HH2 ARG 35 25.992 6.209 12.099 208 H GLU 36 H GLU 36 25.835 6.182 4.487 209 HA GLU 36 HA GLU 36 25.104 8.300 6.243 210 1HB GLU 36 1HB GLU 36 27.257 8.048 4.192 211 2HB GLU 36 2HB GLU 36 27.082 9.454 5.204 212 1HG GLU 36 1HG GLU 36 27.579 8.237 7.132 213 2HG GLU 36 2HG GLU 36 27.414 6.703 6.288 214 H LYS 37 H LYS 37 25.003 7.713 2.840 215 HA LYS 37 HA LYS 37 24.369 10.165 1.768 216 1HB LYS 37 1HB LYS 37 24.871 8.114 0.477 217 2HB LYS 37 2HB LYS 37 23.336 7.442 0.992 218 1HG LYS 37 1HG LYS 37 22.339 9.571 -0.081 219 2HG LYS 37 2HG LYS 37 23.860 9.600 -0.978 220 1HD LYS 37 1HD LYS 37 22.098 7.159 -0.812 221 2HD LYS 37 2HD LYS 37 21.929 8.378 -2.080 222 1HE LYS 37 1HE LYS 37 24.317 6.646 -1.511 223 2HE LYS 37 2HE LYS 37 23.269 6.584 -2.919 224 1HZ LYS 37 1HZ LYS 37 24.035 8.794 -3.545 225 2HZ LYS 37 2HZ LYS 37 25.062 8.841 -2.201 226 3HZ LYS 37 3HZ LYS 37 25.329 7.714 -3.427 227 H VAL 38 H VAL 38 22.205 7.721 2.962 228 HA VAL 38 HA VAL 38 19.914 9.393 2.468 229 HB VAL 38 HB VAL 38 18.592 7.636 2.547 230 H GLU 39 H GLU 39 21.785 8.377 5.314 231 HA GLU 39 HA GLU 39 19.961 9.262 7.227 232 1HB GLU 39 1HB GLU 39 22.938 8.906 7.178 233 2HB GLU 39 2HB GLU 39 22.105 9.504 8.592 234 1HG GLU 39 1HG GLU 39 20.720 7.219 7.720 235 2HG GLU 39 2HG GLU 39 22.441 6.837 7.717 236 H ALA 40 H ALA 40 22.539 10.833 5.444 237 HA ALA 40 HA ALA 40 22.381 13.307 6.730 238 1HB ALA 40 1HB ALA 40 24.249 12.695 5.274 239 2HB ALA 40 2HB ALA 40 23.170 12.750 3.881 240 3HB ALA 40 3HB ALA 40 23.526 14.226 4.781 241 H ALA 41 H ALA 41 20.698 11.945 4.005 242 HA ALA 41 HA ALA 41 19.227 14.209 3.235 243 1HB ALA 41 1HB ALA 41 18.586 11.273 2.939 244 2HB ALA 41 2HB ALA 41 17.727 12.580 2.127 245 3HB ALA 41 3HB ALA 41 19.429 12.289 1.769 246 H MET 42 H MET 42 18.534 11.479 5.352 247 HA MET 42 HA MET 42 15.982 12.121 6.162 248 1HB MET 42 1HB MET 42 18.245 10.833 7.668 249 2HB MET 42 2HB MET 42 16.624 10.960 8.307 250 1HG MET 42 1HG MET 42 15.935 9.721 6.152 251 2HG MET 42 2HG MET 42 17.645 9.285 6.073 252 1HE MET 42 1HE MET 42 16.678 6.861 6.014 253 2HE MET 42 2HE MET 42 18.166 6.799 6.958 254 3HE MET 42 3HE MET 42 16.730 5.928 7.510 255 H ALA 43 H ALA 43 19.073 13.117 7.325 256 HA ALA 43 HA ALA 43 18.324 14.461 9.649 257 1HB ALA 43 1HB ALA 43 20.724 14.921 7.907 258 2HB ALA 43 2HB ALA 43 20.597 13.736 9.208 259 3HB ALA 43 3HB ALA 43 20.539 15.457 9.579 260 H GLU 44 H GLU 44 19.022 15.819 6.445 261 HA GLU 44 HA GLU 44 18.733 18.489 7.129 262 1HB GLU 44 1HB GLU 44 18.109 17.238 4.504 263 2HB GLU 44 2HB GLU 44 18.525 18.914 4.793 264 1HG GLU 44 1HG GLU 44 20.592 17.456 5.921 265 2HG GLU 44 2HG GLU 44 20.200 16.642 4.416 266 H LEU 45 H LEU 45 16.444 16.269 5.716 267 HA LEU 45 HA LEU 45 14.281 18.116 5.734 268 1HB LEU 45 1HB LEU 45 13.998 15.148 5.513 269 2HB LEU 45 2HB LEU 45 13.081 16.409 4.737 270 HG LEU 45 HG LEU 45 15.951 16.190 4.009 271 H ASN 46 H ASN 46 15.601 15.909 7.984 272 HA ASN 46 HA ASN 46 15.128 15.325 10.088 273 1HB ASN 46 1HB ASN 46 14.418 17.756 10.226 274 2HB ASN 46 2HB ASN 46 12.787 17.157 10.008 275 1HD2 ASN 46 1HD2 ASN 46 14.453 18.403 12.232 276 1HD2 ASN 46 1HD2 ASN 46 14.067 17.437 13.619 277 H TYR 47 H TYR 47 14.626 13.523 8.564 278 HA TYR 47 HA TYR 47 11.952 12.722 8.090 279 1HB TYR 47 1HB TYR 47 13.867 11.977 6.718 280 2HB TYR 47 2HB TYR 47 14.481 11.069 8.096 281 HD1 TYR 47 HD1 TYR 47 14.446 8.922 7.027 282 HD2 TYR 47 HD2 TYR 47 10.899 11.255 7.260 283 HE1 TYR 47 HE1 TYR 47 13.131 6.984 6.333 284 HE2 TYR 47 HE2 TYR 47 9.574 9.304 6.591 285 HH TYR 47 HH TYR 47 10.645 6.244 6.644 286 H ILE 48 H ILE 48 10.593 11.608 9.217 287 HA ILE 48 HA ILE 48 11.463 10.077 11.565 288 HB ILE 48 HB ILE 48 8.901 11.664 11.557 289 HA PRO 49 HA PRO 49 9.054 7.246 8.993 290 1HB PRO 49 1HB PRO 49 9.510 5.013 10.475 291 2HB PRO 49 2HB PRO 49 10.690 5.672 9.334 292 1HG PRO 49 1HG PRO 49 10.557 5.963 12.306 293 2HG PRO 49 2HG PRO 49 11.961 5.672 11.262 294 1HD PRO 49 1HD PRO 49 11.360 8.125 12.263 295 2HD PRO 49 2HD PRO 49 12.164 7.902 10.695 296 H ASN 50 H ASN 50 7.209 5.652 9.415 297 HA ASN 50 HA ASN 50 5.627 6.552 11.694 298 1HB ASN 50 1HB ASN 50 5.067 6.060 8.825 299 2HB ASN 50 2HB ASN 50 3.861 5.436 9.953 300 1HD2 ASN 50 1HD2 ASN 50 4.217 7.776 7.979 301 1HD2 ASN 50 1HD2 ASN 50 3.534 9.101 8.863 302 H ARG 51 H ARG 51 5.267 5.037 13.146 303 HA ARG 51 HA ARG 51 6.453 2.524 13.054 304 1HB ARG 51 1HB ARG 51 5.560 3.965 15.050 305 2HB ARG 51 2HB ARG 51 4.135 2.964 14.835 306 1HG ARG 51 1HG ARG 51 5.518 1.984 16.507 307 2HG ARG 51 2HG ARG 51 5.559 0.957 15.084 308 1HD ARG 51 1HD ARG 51 7.660 2.534 14.581 309 2HD ARG 51 2HD ARG 51 7.669 2.563 16.336 310 HE ARG 51 HE ARG 51 7.519 -0.026 15.970 311 1HH1 ARG 51 1HH1 ARG 51 9.473 2.292 14.220 312 1HH2 ARG 51 1HH2 ARG 51 9.166 -1.541 15.469 313 2HH1 ARG 51 2HH1 ARG 51 10.712 1.143 13.831 314 2HH2 ARG 51 2HH2 ARG 51 10.544 -1.033 14.551 315 H CYS 52 H CYS 52 3.288 3.437 11.889 316 HA CYS 52 HA CYS 52 2.254 0.737 12.004 317 1HB CYS 52 1HB CYS 52 1.037 3.149 11.946 318 2HB CYS 52 2HB CYS 52 1.008 2.747 10.235 319 H ALA 53 H ALA 53 3.147 2.977 9.459 320 HA ALA 53 HA ALA 53 3.005 1.321 7.298 321 1HB ALA 53 1HB ALA 53 3.566 3.729 7.195 322 2HB ALA 53 2HB ALA 53 5.190 3.354 7.770 323 3HB ALA 53 3HB ALA 53 4.646 2.741 6.210 324 H GLN 54 H GLN 54 5.580 1.574 9.667 325 HA GLN 54 HA GLN 54 7.390 -0.235 8.462 326 1HB GLN 54 1HB GLN 54 7.061 0.638 11.328 327 2HB GLN 54 2HB GLN 54 8.448 -0.216 10.679 328 1HG GLN 54 1HG GLN 54 8.655 1.727 9.042 329 2HG GLN 54 2HG GLN 54 7.560 2.574 10.125 330 H GLN 55 H GLN 55 4.904 -0.499 10.932 331 HA GLN 55 HA GLN 55 5.312 -3.193 11.625 332 1HB GLN 55 1HB GLN 55 3.021 -1.305 11.893 333 2HB GLN 55 2HB GLN 55 2.792 -2.995 12.290 334 1HG GLN 55 1HG GLN 55 4.216 -0.879 13.715 335 2HG GLN 55 2HG GLN 55 3.407 -2.320 14.335 336 H LEU 56 H LEU 56 3.021 -1.698 9.400 337 HA LEU 56 HA LEU 56 1.813 -4.042 8.467 338 1HB LEU 56 1HB LEU 56 1.238 -1.519 8.189 339 2HB LEU 56 2HB LEU 56 2.255 -1.619 6.762 340 HG LEU 56 HG LEU 56 0.779 -3.298 5.799 341 H ALA 57 H ALA 57 4.106 -2.040 6.775 342 HA ALA 57 HA ALA 57 4.733 -3.797 4.721 343 1HB ALA 57 1HB ALA 57 5.309 -1.336 4.877 344 2HB ALA 57 2HB ALA 57 6.739 -1.824 5.784 345 3HB ALA 57 3HB ALA 57 6.513 -2.379 4.124 346 H GLY 58 H GLY 58 6.027 -3.727 7.955 347 1HA GLY 58 1HA GLY 58 7.735 -4.952 8.916 348 2HA GLY 58 2HA GLY 58 8.175 -5.540 7.320 349 H LYS 59 H LYS 59 5.026 -6.026 7.387 350 HA LYS 59 HA LYS 59 5.228 -8.674 8.605 351 1HB LYS 59 1HB LYS 59 3.707 -6.931 9.694 352 2HB LYS 59 2HB LYS 59 2.693 -7.135 8.281 353 1HG LYS 59 1HG LYS 59 2.834 -9.664 8.905 354 2HG LYS 59 2HG LYS 59 3.221 -9.029 10.505 355 1HD LYS 59 1HD LYS 59 0.895 -9.298 10.509 356 2HD LYS 59 2HD LYS 59 1.139 -7.576 10.215 357 1HE LYS 59 1HE LYS 59 -0.577 -8.509 8.732 358 2HE LYS 59 2HE LYS 59 0.817 -7.911 7.837 359 1HZ LYS 59 1HZ LYS 59 1.047 -10.687 8.539 360 2HZ LYS 59 2HZ LYS 59 -0.292 -10.364 7.549 361 3HZ LYS 59 3HZ LYS 59 1.262 -9.920 7.042 362 H GLN 60 H GLN 60 6.028 -8.332 5.984 363 HA GLN 60 HA GLN 60 4.072 -8.604 4.034 364 1HB GLN 60 1HB GLN 60 6.569 -10.094 3.612 365 2HB GLN 60 2HB GLN 60 5.739 -8.974 2.556 366 1HG GLN 60 1HG GLN 60 7.649 -7.819 3.044 367 2HG GLN 60 2HG GLN 60 6.530 -7.184 4.250 368 H SER 61 H SER 61 6.188 -11.280 4.913 369 HA SER 61 HA SER 61 4.010 -13.122 4.305 370 1HB SER 61 1HB SER 61 6.723 -14.103 4.933 371 2HB SER 61 2HB SER 61 5.593 -14.650 3.701 372 HG SER 61 HG SER 61 6.064 -12.571 2.645 373 H LEU 62 H LEU 62 4.165 -11.612 6.858 374 HA LEU 62 HA LEU 62 4.563 -13.827 8.730 375 1HB LEU 62 1HB LEU 62 4.402 -10.876 9.185 376 2HB LEU 62 2HB LEU 62 4.455 -12.043 10.483 377 HG LEU 62 HG LEU 62 6.618 -11.562 8.431 378 H1 MET 101 H1 MET 101 2.121 -15.021 5.929 379 H2 MET 101 H2 MET 101 1.865 -15.045 7.601 380 H3 MET 101 H3 MET 101 2.609 -16.361 6.834 381 HA MET 101 HA MET 101 0.612 -16.891 5.652 382 1HB MET 101 1HB MET 101 0.376 -16.511 8.627 383 2HB MET 101 2HB MET 101 -0.927 -17.235 7.695 384 1HG MET 101 1HG MET 101 1.896 -18.271 7.855 385 2HG MET 101 2HG MET 101 0.511 -18.909 8.738 386 1HE MET 101 1HE MET 101 1.134 -21.291 7.837 387 2HE MET 101 2HE MET 101 1.214 -21.723 6.131 388 3HE MET 101 3HE MET 101 2.454 -20.689 6.838 389 H LYS 102 H LYS 102 -1.565 -16.422 5.130 390 HA LYS 102 HA LYS 102 -2.350 -13.639 5.695 391 1HB LYS 102 1HB LYS 102 -1.713 -14.102 3.301 392 2HB LYS 102 2HB LYS 102 -3.079 -15.207 3.218 393 1HG LYS 102 1HG LYS 102 -4.371 -13.063 4.109 394 2HG LYS 102 2HG LYS 102 -3.032 -12.245 3.301 395 1HD LYS 102 1HD LYS 102 -4.617 -12.404 1.615 396 2HD LYS 102 2HD LYS 102 -3.595 -13.810 1.318 397 1HE LYS 102 1HE LYS 102 -5.849 -14.536 1.131 398 2HE LYS 102 2HE LYS 102 -5.225 -15.164 2.654 399 1HZ LYS 102 1HZ LYS 102 -6.749 -12.630 2.538 400 2HZ LYS 102 2HZ LYS 102 -7.526 -14.125 2.677 401 3HZ LYS 102 3HZ LYS 102 -6.446 -13.623 3.876 402 HA PRO 103 HA PRO 103 -5.758 -15.991 7.532 403 1HB PRO 103 1HB PRO 103 -6.351 -13.543 8.950 404 2HB PRO 103 2HB PRO 103 -5.794 -15.080 9.599 405 1HG PRO 103 1HG PRO 103 -4.270 -12.823 9.581 406 2HG PRO 103 2HG PRO 103 -3.591 -14.461 9.537 407 1HD PRO 103 1HD PRO 103 -3.990 -12.508 7.305 408 2HD PRO 103 2HD PRO 103 -2.635 -13.620 7.613 409 H VAL 104 H VAL 104 -8.087 -14.883 8.169 410 HA VAL 104 HA VAL 104 -9.368 -14.328 5.733 411 HB VAL 104 HB VAL 104 -10.456 -13.344 8.334 412 H THR 105 H THR 105 -10.081 -12.404 4.852 413 HA THR 105 HA THR 105 -9.277 -9.933 6.168 414 HB THR 105 HB THR 105 -8.143 -9.140 4.001 415 HG1 THR 105 HG1 THR 105 -8.558 -11.823 3.474 416 H LEU 106 H LEU 106 -9.737 -8.054 4.447 417 HA LEU 106 HA LEU 106 -12.575 -8.200 4.125 418 1HB LEU 106 1HB LEU 106 -11.868 -6.078 2.518 419 2HB LEU 106 2HB LEU 106 -12.377 -5.992 4.188 420 HG LEU 106 HG LEU 106 -9.772 -6.348 4.596 421 H TYR 107 H TYR 107 -9.894 -8.920 2.073 422 HA TYR 107 HA TYR 107 -11.158 -8.735 -0.429 423 1HB TYR 107 1HB TYR 107 -8.860 -10.364 0.640 424 2HB TYR 107 2HB TYR 107 -9.406 -10.524 -1.021 425 HD1 TYR 107 HD1 TYR 107 -7.748 -8.347 1.401 426 HD2 TYR 107 HD2 TYR 107 -8.962 -8.796 -2.645 427 HE1 TYR 107 HE1 TYR 107 -6.260 -6.497 0.758 428 HE2 TYR 107 HE2 TYR 107 -7.486 -6.943 -3.303 429 HH TYR 107 HH TYR 107 -5.033 -5.831 -1.512 430 H ASP 108 H ASP 108 -10.893 -11.245 1.993 431 HA ASP 108 HA ASP 108 -12.048 -13.358 0.544 432 1HB ASP 108 1HB ASP 108 -11.718 -12.785 3.503 433 2HB ASP 108 2HB ASP 108 -12.303 -14.321 2.886 434 H VAL 109 H VAL 109 -13.350 -11.343 3.167 435 HA VAL 109 HA VAL 109 -15.929 -12.389 2.794 436 HB VAL 109 HB VAL 109 -16.396 -11.470 4.717 437 H ALA 110 H ALA 110 -14.237 -9.827 1.221 438 HA ALA 110 HA ALA 110 -16.554 -8.571 0.094 439 1HB ALA 110 1HB ALA 110 -13.729 -8.537 -0.955 440 2HB ALA 110 2HB ALA 110 -15.028 -7.425 -1.388 441 3HB ALA 110 3HB ALA 110 -14.372 -7.418 0.250 442 H GLU 111 H GLU 111 -14.425 -11.166 -0.720 443 HA GLU 111 HA GLU 111 -15.280 -11.597 -3.399 444 1HB GLU 111 1HB GLU 111 -13.382 -12.647 -1.556 445 2HB GLU 111 2HB GLU 111 -14.298 -13.993 -2.200 446 1HG GLU 111 1HG GLU 111 -12.649 -11.978 -3.688 447 2HG GLU 111 2HG GLU 111 -12.454 -13.725 -3.622 448 H TYR 112 H TYR 112 -15.977 -12.915 -0.285 449 HA TYR 112 HA TYR 112 -17.856 -14.896 -0.860 450 1HB TYR 112 1HB TYR 112 -16.587 -13.848 1.301 451 2HB TYR 112 2HB TYR 112 -18.215 -13.267 1.539 452 HD1 TYR 112 HD1 TYR 112 -16.539 -16.491 0.639 453 HD2 TYR 112 HD2 TYR 112 -19.545 -14.496 2.880 454 HE1 TYR 112 HE1 TYR 112 -17.151 -18.615 1.713 455 HE2 TYR 112 HE2 TYR 112 -20.162 -16.591 3.952 456 HH TYR 112 HH TYR 112 -19.952 -18.842 3.844 457 H ALA 113 H ALA 113 -18.306 -11.703 0.395 458 HA ALA 113 HA ALA 113 -21.068 -11.559 0.243 459 1HB ALA 113 1HB ALA 113 -19.996 -10.033 1.640 460 2HB ALA 113 2HB ALA 113 -20.700 -9.053 0.354 461 3HB ALA 113 3HB ALA 113 -18.976 -9.427 0.340 462 H GLY 114 H GLY 114 -18.722 -11.082 -2.247 463 1HA GLY 114 1HA GLY 114 -20.844 -10.821 -4.196 464 2HA GLY 114 2HA GLY 114 -19.123 -10.969 -4.534 465 H VAL 115 H VAL 115 -18.155 -8.916 -2.979 466 HA VAL 115 HA VAL 115 -19.088 -6.567 -4.425 467 HB VAL 115 HB VAL 115 -18.847 -5.195 -2.369 468 H SER 116 H SER 116 -17.335 -4.779 -3.263 469 HA SER 116 HA SER 116 -14.735 -5.925 -4.025 470 1HB SER 116 1HB SER 116 -14.012 -3.691 -4.573 471 2HB SER 116 2HB SER 116 -15.589 -3.928 -5.326 472 HG SER 116 HG SER 116 -16.518 -2.775 -3.613 473 H VAL 117 H VAL 117 -12.905 -4.535 -2.846 474 HA VAL 117 HA VAL 117 -13.237 -5.147 -0.071 475 HB VAL 117 HB VAL 117 -10.952 -4.328 0.168 476 H ALA 118 H ALA 118 -13.880 -2.549 -2.088 477 HA ALA 118 HA ALA 118 -13.520 -0.447 -0.205 478 1HB ALA 118 1HB ALA 118 -15.198 -0.452 -2.708 479 2HB ALA 118 2HB ALA 118 -14.605 0.959 -1.831 480 3HB ALA 118 3HB ALA 118 -13.469 -0.105 -2.661 481 H THR 119 H THR 119 -16.114 -2.646 -1.134 482 HA THR 119 HA THR 119 -18.177 -1.248 0.212 483 HB THR 119 HB THR 119 -18.340 -4.174 -0.216 484 HG1 THR 119 HG1 THR 119 -18.683 -2.591 -2.490 485 H VAL 120 H VAL 120 -16.273 -4.095 0.960 486 HA VAL 120 HA VAL 120 -17.373 -4.674 3.454 487 HB VAL 120 HB VAL 120 -14.691 -5.326 2.280 488 H SER 121 H SER 121 -14.561 -2.643 2.682 489 HA SER 121 HA SER 121 -13.756 -2.209 5.319 490 1HB SER 121 1HB SER 121 -12.866 0.010 4.267 491 2HB SER 121 2HB SER 121 -12.182 -1.530 3.741 492 HG SER 121 HG SER 121 -13.186 -1.366 1.856 493 H ARG 122 H ARG 122 -16.339 -0.845 3.355 494 HA ARG 122 HA ARG 122 -16.881 1.391 4.973 495 1HB ARG 122 1HB ARG 122 -18.702 -0.274 3.258 496 2HB ARG 122 2HB ARG 122 -19.153 1.245 3.993 497 1HG ARG 122 1HG ARG 122 -16.919 0.924 2.014 498 2HG ARG 122 2HG ARG 122 -18.562 1.418 1.617 499 1HD ARG 122 1HD ARG 122 -17.496 3.463 1.801 500 2HD ARG 122 2HD ARG 122 -18.157 3.252 3.421 501 HE ARG 122 HE ARG 122 -15.358 2.665 2.716 502 1HH1 ARG 122 1HH1 ARG 122 -17.760 3.888 4.947 503 1HH2 ARG 122 1HH2 ARG 122 -13.821 3.295 4.308 504 2HH1 ARG 122 2HH1 ARG 122 -16.596 4.361 6.137 505 2HH2 ARG 122 2HH2 ARG 122 -14.372 4.035 5.775 506 H VAL 123 H VAL 123 -18.259 -1.841 4.856 507 HA VAL 123 HA VAL 123 -20.025 -1.514 7.039 508 HB VAL 123 HB VAL 123 -18.820 -4.097 6.057 509 H VAL 124 H VAL 124 -16.769 -2.797 6.758 510 HA VAL 124 HA VAL 124 -16.323 -3.490 9.427 511 HB VAL 124 HB VAL 124 -14.709 -2.839 7.037 512 H ASN 125 H ASN 125 -16.316 -0.506 7.708 513 HA ASN 125 HA ASN 125 -15.409 1.041 10.038 514 1HB ASN 125 1HB ASN 125 -15.776 1.605 7.132 515 2HB ASN 125 2HB ASN 125 -15.973 2.948 8.249 516 1HD2 ASN 125 1HD2 ASN 125 -13.805 0.839 6.689 517 1HD2 ASN 125 1HD2 ASN 125 -12.338 1.539 7.313 518 H GLN 126 H GLN 126 -18.050 -0.375 9.835 519 HA GLN 126 HA GLN 126 -20.144 -0.062 10.611 520 1HB GLN 126 1HB GLN 126 -19.940 2.795 11.242 521 2HB GLN 126 2HB GLN 126 -20.589 1.481 12.201 522 1HG GLN 126 1HG GLN 126 -17.728 2.285 11.882 523 2HG GLN 126 2HG GLN 126 -18.702 2.372 13.343 524 H ALA 127 H ALA 127 -19.919 -0.147 8.156 525 HA ALA 127 HA ALA 127 -20.347 0.563 6.040 526 1HB ALA 127 1HB ALA 127 -22.215 -0.668 6.711 527 2HB ALA 127 2HB ALA 127 -22.924 0.712 7.548 528 3HB ALA 127 3HB ALA 127 -22.814 0.712 5.787 529 H SER 128 H SER 128 -22.805 2.648 7.268 530 HA SER 128 HA SER 128 -23.231 4.867 7.088 531 1HB SER 128 1HB SER 128 -20.286 5.082 6.639 532 2HB SER 128 2HB SER 128 -21.345 6.462 6.901 533 HG SER 128 HG SER 128 -20.931 4.297 8.702 534 H HIS 129 H HIS 129 -21.179 3.519 4.589 535 HA HIS 129 HA HIS 129 -22.800 4.935 2.583 536 1HB HIS 129 1HB HIS 129 -19.819 4.714 2.692 537 2HB HIS 129 2HB HIS 129 -20.606 4.672 1.122 538 HD1 HIS 129 HD1 HIS 129 -19.755 6.952 0.348 539 HD2 HIS 129 HD2 HIS 129 -21.863 7.096 3.926 540 HE1 HIS 129 HE1 HIS 129 -20.191 9.393 0.772 541 HE2 HIS 129 HE2 HIS 129 -21.260 9.461 3.056 542 H VAL 130 H VAL 130 -23.156 2.375 3.742 543 HA VAL 130 HA VAL 130 -22.992 0.711 1.364 544 HB VAL 130 HB VAL 130 -21.896 0.130 4.019 545 H SER 131 H SER 131 -24.933 -0.256 0.847 546 HA SER 131 HA SER 131 -27.309 0.523 2.077 547 1HB SER 131 1HB SER 131 -27.762 -1.911 0.716 548 2HB SER 131 2HB SER 131 -27.980 -0.272 0.081 549 HG SER 131 HG SER 131 -26.417 -0.798 -1.222 550 H ALA 132 H ALA 132 -28.793 -0.631 3.370 551 HA ALA 132 HA ALA 132 -27.803 -1.946 5.579 552 1HB ALA 132 1HB ALA 132 -29.992 -0.926 5.565 553 2HB ALA 132 2HB ALA 132 -30.135 -2.622 6.031 554 3HB ALA 132 3HB ALA 132 -30.572 -2.117 4.400 555 H LYS 133 H LYS 133 -29.307 -3.451 2.698 556 HA LYS 133 HA LYS 133 -29.025 -6.085 3.609 557 1HB LYS 133 1HB LYS 133 -30.238 -4.972 1.466 558 2HB LYS 133 2HB LYS 133 -28.824 -5.691 0.711 559 1HG LYS 133 1HG LYS 133 -30.608 -7.276 0.613 560 2HG LYS 133 2HG LYS 133 -29.418 -7.852 1.782 561 1HD LYS 133 1HD LYS 133 -30.876 -6.704 3.551 562 2HD LYS 133 2HD LYS 133 -32.115 -6.630 2.300 563 1HE LYS 133 1HE LYS 133 -32.555 -8.592 3.542 564 2HE LYS 133 2HE LYS 133 -31.824 -9.124 2.029 565 1HZ LYS 133 1HZ LYS 133 -30.339 -8.801 4.592 566 2HZ LYS 133 2HZ LYS 133 -30.937 -10.272 4.002 567 3HZ LYS 133 3HZ LYS 133 -29.737 -9.448 3.144 568 H THR 134 H THR 134 -26.839 -3.999 1.867 569 HA THR 134 HA THR 134 -24.903 -5.963 1.262 570 HB THR 134 HB THR 134 -24.407 -3.063 1.670 571 HG1 THR 134 HG1 THR 134 -25.287 -2.700 -0.244 572 H ARG 135 H ARG 135 -25.260 -3.673 3.898 573 HA ARG 135 HA ARG 135 -22.997 -4.208 5.344 574 1HB ARG 135 1HB ARG 135 -24.427 -2.478 6.131 575 2HB ARG 135 2HB ARG 135 -25.808 -3.556 6.229 576 1HG ARG 135 1HG ARG 135 -23.499 -4.210 7.950 577 2HG ARG 135 2HG ARG 135 -24.422 -2.776 8.366 578 1HD ARG 135 1HD ARG 135 -26.426 -4.039 8.503 579 2HD ARG 135 2HD ARG 135 -25.624 -5.461 7.870 580 HE ARG 135 HE ARG 135 -24.229 -5.273 10.012 581 1HH1 ARG 135 1HH1 ARG 135 -27.626 -4.417 9.767 582 1HH2 ARG 135 1HH2 ARG 135 -24.667 -5.749 12.165 583 2HH1 ARG 135 2HH1 ARG 135 -27.956 -4.787 11.428 584 2HH2 ARG 135 2HH2 ARG 135 -26.272 -5.547 12.795 585 H GLU 136 H GLU 136 -26.023 -5.931 5.330 586 HA GLU 136 HA GLU 136 -25.278 -7.915 7.226 587 1HB GLU 136 1HB GLU 136 -27.460 -7.733 5.207 588 2HB GLU 136 2HB GLU 136 -27.261 -9.144 6.211 589 1HG GLU 136 1HG GLU 136 -27.639 -7.876 8.166 590 2HG GLU 136 2HG GLU 136 -27.630 -6.377 7.248 591 H LYS 137 H LYS 137 -25.241 -7.626 3.784 592 HA LYS 137 HA LYS 137 -24.635 -10.154 2.889 593 1HB LYS 137 1HB LYS 137 -25.143 -8.217 1.449 594 2HB LYS 137 2HB LYS 137 -23.607 -7.499 1.897 595 1HG LYS 137 1HG LYS 137 -22.616 -9.713 0.985 596 2HG LYS 137 2HG LYS 137 -24.143 -9.799 0.099 597 1HD LYS 137 1HD LYS 137 -22.349 -7.379 0.089 598 2HD LYS 137 2HD LYS 137 -22.232 -8.671 -1.110 599 1HE LYS 137 1HE LYS 137 -24.595 -6.889 -0.576 600 2HE LYS 137 2HE LYS 137 -23.556 -6.865 -1.991 601 1HZ LYS 137 1HZ LYS 137 -24.317 -9.144 -2.490 602 2HZ LYS 137 2HZ LYS 137 -25.405 -9.045 -1.199 603 3HZ LYS 137 3HZ LYS 137 -25.570 -8.009 -2.522 604 H VAL 138 H VAL 138 -22.444 -7.650 3.867 605 HA VAL 138 HA VAL 138 -20.153 -9.358 3.492 606 HB VAL 138 HB VAL 138 -18.838 -7.594 3.393 607 H GLU 139 H GLU 139 -22.021 -8.117 6.242 608 HA GLU 139 HA GLU 139 -20.187 -8.823 8.225 609 1HB GLU 139 1HB GLU 139 -23.172 -8.474 8.175 610 2HB GLU 139 2HB GLU 139 -22.315 -8.924 9.627 611 1HG GLU 139 1HG GLU 139 -20.936 -6.742 8.561 612 2HG GLU 139 2HG GLU 139 -22.655 -6.354 8.454 613 H ALA 140 H ALA 140 -22.792 -10.521 6.614 614 HA ALA 140 HA ALA 140 -22.640 -12.888 8.086 615 1HB ALA 140 1HB ALA 140 -23.392 -12.635 5.181 616 2HB ALA 140 2HB ALA 140 -24.486 -12.325 6.529 617 3HB ALA 140 3HB ALA 140 -23.834 -13.944 6.275 618 H ALA 141 H ALA 141 -20.955 -11.760 5.260 619 HA ALA 141 HA ALA 141 -19.494 -14.074 4.682 620 1HB ALA 141 1HB ALA 141 -19.704 -12.286 3.058 621 2HB ALA 141 2HB ALA 141 -18.000 -12.550 3.429 622 3HB ALA 141 3HB ALA 141 -18.853 -11.174 4.130 623 H MET 142 H MET 142 -18.762 -11.192 6.578 624 HA MET 142 HA MET 142 -16.197 -11.779 7.385 625 1HB MET 142 1HB MET 142 -18.419 -10.375 8.855 626 2HB MET 142 2HB MET 142 -16.770 -10.435 9.427 627 1HG MET 142 1HG MET 142 -16.170 -9.352 7.177 628 2HG MET 142 2HG MET 142 -17.893 -8.968 7.084 629 1HE MET 142 1HE MET 142 -16.822 -6.546 6.783 630 2HE MET 142 2HE MET 142 -18.354 -6.386 7.642 631 3HE MET 142 3HE MET 142 -16.943 -5.465 8.173 632 H ALA 143 H ALA 143 -19.259 -12.675 8.660 633 HA ALA 143 HA ALA 143 -18.487 -13.837 11.078 634 1HB ALA 143 1HB ALA 143 -20.713 -14.816 11.112 635 2HB ALA 143 2HB ALA 143 -20.920 -14.406 9.409 636 3HB ALA 143 3HB ALA 143 -20.761 -13.125 10.613 637 H GLU 144 H GLU 144 -19.238 -15.424 7.993 638 HA GLU 144 HA GLU 144 -18.944 -18.039 8.868 639 1HB GLU 144 1HB GLU 144 -18.358 -16.962 6.156 640 2HB GLU 144 2HB GLU 144 -18.745 -18.624 6.557 641 1HG GLU 144 1HG GLU 144 -20.827 -17.151 7.619 642 2HG GLU 144 2HG GLU 144 -20.457 -16.386 6.082 643 H LEU 145 H LEU 145 -16.670 -15.920 7.292 644 HA LEU 145 HA LEU 145 -14.504 -17.758 7.385 645 1HB LEU 145 1HB LEU 145 -14.247 -14.808 6.988 646 2HB LEU 145 2HB LEU 145 -13.321 -16.101 6.279 647 HG LEU 145 HG LEU 145 -16.204 -15.933 5.573 648 H ASN 146 H ASN 146 -15.758 -15.404 9.539 649 HA ASN 146 HA ASN 146 -15.213 -14.699 11.595 650 1HB ASN 146 1HB ASN 146 -14.452 -17.101 11.861 651 2HB ASN 146 2HB ASN 146 -12.846 -16.495 11.516 652 1HD2 ASN 146 1HD2 ASN 146 -14.374 -17.624 13.901 653 1HD2 ASN 146 1HD2 ASN 146 -13.930 -16.572 15.202 654 H TYR 147 H TYR 147 -14.823 -12.985 9.956 655 HA TYR 147 HA TYR 147 -12.195 -12.176 9.305 656 1HB TYR 147 1HB TYR 147 -14.245 -11.515 8.036 657 2HB TYR 147 2HB TYR 147 -14.689 -10.485 9.391 658 HD1 TYR 147 HD1 TYR 147 -14.701 -8.477 7.989 659 HD2 TYR 147 HD2 TYR 147 -11.168 -10.802 8.445 660 HE1 TYR 147 HE1 TYR 147 -13.369 -6.637 7.078 661 HE2 TYR 147 HE2 TYR 147 -9.835 -8.948 7.556 662 HH TYR 147 HH TYR 147 -10.841 -5.901 7.320 663 H ILE 148 H ILE 148 -10.752 -11.075 10.382 664 HA ILE 148 HA ILE 148 -11.556 -9.328 12.602 665 HB ILE 148 HB ILE 148 -9.023 -10.950 12.686 666 HA PRO 149 HA PRO 149 -9.123 -6.757 9.784 667 1HB PRO 149 1HB PRO 149 -9.608 -4.397 11.026 668 2HB PRO 149 2HB PRO 149 -10.782 -5.174 9.954 669 1HG PRO 149 1HG PRO 149 -10.653 -5.179 12.940 670 2HG PRO 149 2HG PRO 149 -12.056 -4.982 11.877 671 1HD PRO 149 1HD PRO 149 -11.464 -7.329 13.096 672 2HD PRO 149 2HD PRO 149 -12.255 -7.253 11.508 673 H ASN 150 H ASN 150 -7.300 -5.118 10.079 674 HA ASN 150 HA ASN 150 -5.764 -5.769 12.473 675 1HB ASN 150 1HB ASN 150 -5.082 -5.548 9.576 676 2HB ASN 150 2HB ASN 150 -3.902 -4.911 10.727 677 1HD2 ASN 150 1HD2 ASN 150 -4.148 -7.305 8.882 678 1HD2 ASN 150 1HD2 ASN 150 -3.659 -8.626 9.889 679 H ARG 151 H ARG 151 -5.441 -4.095 13.757 680 HA ARG 151 HA ARG 151 -6.643 -1.614 13.367 681 1HB ARG 151 1HB ARG 151 -5.733 -2.850 15.516 682 2HB ARG 151 2HB ARG 151 -4.370 -1.783 15.239 683 1HG ARG 151 1HG ARG 151 -5.846 -0.724 16.775 684 2HG ARG 151 2HG ARG 151 -5.948 0.138 15.248 685 1HD ARG 151 1HD ARG 151 -7.921 -1.486 14.810 686 2HD ARG 151 2HD ARG 151 -7.915 -1.651 16.553 687 HE ARG 151 HE ARG 151 -8.005 0.971 16.373 688 1HH1 ARG 151 1HH1 ARG 151 -9.752 -1.399 14.465 689 1HH2 ARG 151 1HH2 ARG 151 -9.818 2.323 16.040 690 2HH1 ARG 151 2HH1 ARG 151 -11.131 -0.375 14.227 691 2HH2 ARG 151 2HH2 ARG 151 -11.168 1.738 15.114 692 H CYS 152 H CYS 152 -3.467 -2.614 12.391 693 HA CYS 152 HA CYS 152 -2.386 0.057 12.234 694 1HB CYS 152 1HB CYS 152 -1.141 -2.273 12.410 695 2HB CYS 152 2HB CYS 152 -1.289 -2.215 10.655 696 H ALA 153 H ALA 153 -3.285 -2.345 9.831 697 HA ALA 153 HA ALA 153 -3.152 -0.801 7.598 698 1HB ALA 153 1HB ALA 153 -5.302 -2.841 8.175 699 2HB ALA 153 2HB ALA 153 -4.780 -2.295 6.586 700 3HB ALA 153 3HB ALA 153 -3.673 -3.208 7.608 701 H GLN 154 H GLN 154 -5.732 -0.933 9.981 702 HA GLN 154 HA GLN 154 -7.581 0.744 8.664 703 1HB GLN 154 1HB GLN 154 -7.192 0.134 11.592 704 2HB GLN 154 2HB GLN 154 -8.607 0.903 10.894 705 1HG GLN 154 1HG GLN 154 -8.773 -1.194 9.429 706 2HG GLN 154 2HG GLN 154 -7.677 -1.913 10.597 707 H GLN 155 H GLN 155 -5.090 1.255 11.102 708 HA GLN 155 HA GLN 155 -5.471 4.008 11.506 709 1HB GLN 155 1HB GLN 155 -3.166 2.151 11.929 710 2HB GLN 155 2HB GLN 155 -2.962 3.870 12.188 711 1HG GLN 155 1HG GLN 155 -4.263 1.855 13.818 712 2HG GLN 155 2HG GLN 155 -3.586 3.416 14.283 713 H LEU 156 H LEU 156 -3.130 2.306 9.462 714 HA LEU 156 HA LEU 156 -1.928 4.548 8.306 715 1HB LEU 156 1HB LEU 156 -1.315 2.028 8.316 716 2HB LEU 156 2HB LEU 156 -2.326 1.939 6.883 717 HG LEU 156 HG LEU 156 -0.848 3.433 5.683 718 H ALA 157 H ALA 157 -4.180 2.368 6.749 719 HA ALA 157 HA ALA 157 -4.793 3.946 4.543 720 1HB ALA 157 1HB ALA 157 -6.786 2.056 5.770 721 2HB ALA 157 2HB ALA 157 -6.623 2.516 4.076 722 3HB ALA 157 3HB ALA 157 -5.385 1.525 4.845 723 H GLY 158 H GLY 158 -6.100 4.173 7.762 724 1HA GLY 158 1HA GLY 158 -7.779 5.500 8.626 725 2HA GLY 158 2HA GLY 158 -8.264 5.904 6.987 726 H LYS 159 H LYS 159 -5.059 6.389 7.066 727 HA LYS 159 HA LYS 159 -5.308 9.157 7.960 728 1HB LYS 159 1HB LYS 159 -3.747 7.568 9.193 729 2HB LYS 159 2HB LYS 159 -2.756 7.623 7.751 730 1HG LYS 159 1HG LYS 159 -2.886 10.195 8.085 731 2HG LYS 159 2HG LYS 159 -3.287 9.760 9.750 732 1HD LYS 159 1HD LYS 159 -0.945 10.053 9.698 733 2HD LYS 159 2HD LYS 159 -1.199 8.305 9.683 734 1HE LYS 159 1HE LYS 159 0.513 9.026 8.058 735 2HE LYS 159 2HE LYS 159 -0.869 8.235 7.305 736 1HZ LYS 159 1HZ LYS 159 -1.165 11.089 7.508 737 2HZ LYS 159 2HZ LYS 159 0.148 10.615 6.544 738 3HZ LYS 159 3HZ LYS 159 -1.411 10.059 6.184 739 H GLN 160 H GLN 160 -6.166 8.557 5.422 740 HA GLN 160 HA GLN 160 -4.303 8.636 3.371 741 1HB GLN 160 1HB GLN 160 -6.832 10.091 2.963 742 2HB GLN 160 2HB GLN 160 -6.033 8.931 1.931 743 1HG GLN 160 1HG GLN 160 -7.862 7.743 2.560 744 2HG GLN 160 2HG GLN 160 -6.713 7.243 3.799 745 H SER 161 H SER 161 -6.361 11.406 4.087 746 HA SER 161 HA SER 161 -4.196 13.158 3.219 747 1HB SER 161 1HB SER 161 -6.939 14.120 3.824 748 2HB SER 161 2HB SER 161 -5.793 14.717 2.633 749 HG SER 161 HG SER 161 -6.138 12.601 1.573 750 H LEU 162 H LEU 162 -4.466 11.867 5.955 751 HA LEU 162 HA LEU 162 -4.699 14.255 7.614 752 1HB LEU 162 1HB LEU 162 -4.468 11.360 8.333 753 2HB LEU 162 2HB LEU 162 -4.506 12.648 9.513 754 HG LEU 162 HG LEU 162 -6.727 11.910 7.601 No H/Q in entry = 754 Start of MODEL 10 1 H1 MET 1 H1 MET 1 -1.715 17.482 2.862 2 H2 MET 1 H2 MET 1 -1.185 18.623 3.987 3 H3 MET 1 H3 MET 1 -1.447 19.081 2.381 4 HA MET 1 HA MET 1 0.367 17.755 1.618 5 1HB MET 1 1HB MET 1 1.028 19.478 4.011 6 2HB MET 1 2HB MET 1 2.254 18.803 2.953 7 1HG MET 1 1HG MET 1 1.175 19.993 1.055 8 2HG MET 1 2HG MET 1 0.112 20.778 2.219 9 1HE MET 1 1HE MET 1 1.057 22.163 4.291 10 2HE MET 1 2HE MET 1 2.366 21.049 4.682 11 3HE MET 1 3HE MET 1 2.712 22.757 4.417 12 H LYS 2 H LYS 2 2.515 16.768 2.535 13 HA LYS 2 HA LYS 2 1.861 14.912 4.720 14 1HB LYS 2 1HB LYS 2 2.863 13.083 3.577 15 2HB LYS 2 2HB LYS 2 1.784 13.842 2.416 16 1HG LYS 2 1HG LYS 2 3.492 14.574 1.094 17 2HG LYS 2 2HG LYS 2 4.627 14.701 2.438 18 1HD LYS 2 1HD LYS 2 4.614 12.180 2.531 19 2HD LYS 2 2HD LYS 2 3.712 12.211 1.015 20 1HE LYS 2 1HE LYS 2 6.175 11.898 0.746 21 2HE LYS 2 2HE LYS 2 5.515 13.282 -0.122 22 1HZ LYS 2 1HZ LYS 2 6.536 13.759 2.575 23 2HZ LYS 2 2HZ LYS 2 7.680 13.455 1.359 24 3HZ LYS 2 3HZ LYS 2 6.591 14.744 1.200 25 HA PRO 3 HA PRO 3 5.764 16.248 6.370 26 1HB PRO 3 1HB PRO 3 6.234 13.692 7.622 27 2HB PRO 3 2HB PRO 3 5.729 15.201 8.370 28 1HG PRO 3 1HG PRO 3 4.113 13.017 8.195 29 2HG PRO 3 2HG PRO 3 3.504 14.681 8.236 30 1HD PRO 3 1HD PRO 3 3.884 12.856 5.894 31 2HD PRO 3 2HD PRO 3 2.546 13.972 6.251 32 H VAL 4 H VAL 4 8.041 15.017 6.927 33 HA VAL 4 HA VAL 4 9.192 14.437 4.391 34 HB VAL 4 HB VAL 4 10.448 13.768 7.027 35 H THR 5 H THR 5 10.069 12.423 3.712 36 HA THR 5 HA THR 5 9.262 10.076 5.238 37 HB THR 5 HB THR 5 8.209 9.071 3.143 38 HG1 THR 5 HG1 THR 5 8.545 11.725 2.356 39 H LEU 6 H LEU 6 9.721 8.091 3.561 40 HA LEU 6 HA LEU 6 12.587 8.236 3.295 41 1HB LEU 6 1HB LEU 6 11.818 5.954 1.898 42 2HB LEU 6 2HB LEU 6 12.450 6.034 3.529 43 HG LEU 6 HG LEU 6 9.886 6.444 4.081 44 H TYR 7 H TYR 7 9.878 8.761 1.224 45 HA TYR 7 HA TYR 7 11.129 8.329 -1.259 46 1HB TYR 7 1HB TYR 7 8.813 10.047 -0.375 47 2HB TYR 7 2HB TYR 7 9.350 9.997 -2.045 48 HD1 TYR 7 HD1 TYR 7 8.808 8.138 -3.464 49 HD2 TYR 7 HD2 TYR 7 7.806 8.061 0.664 50 HE1 TYR 7 HE1 TYR 7 7.327 6.218 -3.867 51 HE2 TYR 7 HE2 TYR 7 6.324 6.141 0.278 52 HH TYR 7 HH TYR 7 5.994 4.699 -2.955 53 H ASP 8 H ASP 8 10.862 11.038 0.927 54 HA ASP 8 HA ASP 8 12.004 13.011 -0.717 55 1HB ASP 8 1HB ASP 8 11.681 12.734 2.284 56 2HB ASP 8 2HB ASP 8 12.219 14.209 1.500 57 H VAL 9 H VAL 9 13.344 11.277 2.088 58 HA VAL 9 HA VAL 9 15.908 12.301 1.581 59 HB VAL 9 HB VAL 9 16.429 11.554 3.564 60 H ALA 10 H ALA 10 14.231 9.606 0.263 61 HA ALA 10 HA ALA 10 16.561 8.261 -0.733 62 1HB ALA 10 1HB ALA 10 13.740 8.111 -1.789 63 2HB ALA 10 2HB ALA 10 15.050 6.976 -2.119 64 3HB ALA 10 3HB ALA 10 14.382 7.105 -0.489 65 H GLU 11 H GLU 11 14.400 10.747 -1.765 66 HA GLU 11 HA GLU 11 15.256 10.998 -4.459 67 1HB GLU 11 1HB GLU 11 13.394 12.214 -2.653 68 2HB GLU 11 2HB GLU 11 14.274 13.476 -3.485 69 1HG GLU 11 1HG GLU 11 12.685 11.244 -4.720 70 2HG GLU 11 2HG GLU 11 12.292 12.955 -4.713 71 H TYR 12 H TYR 12 15.972 12.556 -1.450 72 HA TYR 12 HA TYR 12 17.839 14.477 -2.192 73 1HB TYR 12 1HB TYR 12 16.562 13.573 0.054 74 2HB TYR 12 2HB TYR 12 18.223 13.145 0.360 75 HD1 TYR 12 HD1 TYR 12 16.364 16.095 -0.956 76 HD2 TYR 12 HD2 TYR 12 19.405 14.623 1.613 77 HE1 TYR 12 HE1 TYR 12 16.798 18.380 -0.172 78 HE2 TYR 12 HE2 TYR 12 19.853 16.881 2.405 79 HH TYR 12 HH TYR 12 19.430 19.072 2.120 80 H ALA 13 H ALA 13 18.335 11.450 -0.591 81 HA ALA 13 HA ALA 13 21.104 11.317 -0.754 82 1HB ALA 13 1HB ALA 13 19.093 9.117 -0.436 83 2HB ALA 13 2HB ALA 13 19.937 10.002 0.835 84 3HB ALA 13 3HB ALA 13 20.831 8.905 -0.222 85 H GLY 14 H GLY 14 18.811 10.761 -3.224 86 1HA GLY 14 1HA GLY 14 20.916 10.204 -5.108 87 2HA GLY 14 2HA GLY 14 19.200 10.355 -5.472 88 H VAL 15 H VAL 15 18.183 8.451 -3.745 89 HA VAL 15 HA VAL 15 19.065 5.975 -5.008 90 HB VAL 15 HB VAL 15 18.858 4.746 -2.869 91 H SER 16 H SER 16 17.291 4.341 -3.614 92 HA SER 16 HA SER 16 14.702 5.467 -4.419 93 1HB SER 16 1HB SER 16 13.964 3.223 -4.913 94 2HB SER 16 2HB SER 16 15.504 3.474 -5.727 95 HG SER 16 HG SER 16 16.519 2.287 -4.115 96 H VAL 17 H VAL 17 12.911 4.018 -3.218 97 HA VAL 17 HA VAL 17 13.227 4.712 -0.465 98 HB VAL 17 HB VAL 17 10.959 3.867 -0.204 99 H ALA 18 H ALA 18 13.879 2.048 -2.418 100 HA ALA 18 HA ALA 18 13.597 -0.018 -0.496 101 1HB ALA 18 1HB ALA 18 15.291 0.076 -2.996 102 2HB ALA 18 2HB ALA 18 14.882 -1.371 -2.074 103 3HB ALA 18 3HB ALA 18 13.618 -0.469 -2.908 104 H THR 19 H THR 19 16.199 2.141 -1.556 105 HA THR 19 HA THR 19 18.247 0.907 -0.064 106 HB THR 19 HB THR 19 18.389 3.804 -0.640 107 HG1 THR 19 HG1 THR 19 18.791 2.181 -2.848 108 H VAL 20 H VAL 20 16.300 3.775 0.481 109 HA VAL 20 HA VAL 20 17.347 4.462 2.987 110 HB VAL 20 HB VAL 20 14.684 5.072 1.723 111 H SER 21 H SER 21 14.620 2.387 2.128 112 HA SER 21 HA SER 21 13.642 1.906 4.666 113 1HB SER 21 1HB SER 21 12.375 1.140 2.806 114 2HB SER 21 2HB SER 21 13.719 0.183 2.189 115 HG SER 21 HG SER 21 12.037 -0.307 4.400 116 H ARG 22 H ARG 22 16.445 0.537 2.969 117 HA ARG 22 HA ARG 22 16.935 -1.544 4.809 118 1HB ARG 22 1HB ARG 22 19.073 -0.048 3.360 119 2HB ARG 22 2HB ARG 22 19.106 -1.696 3.911 120 1HG ARG 22 1HG ARG 22 17.367 -0.676 1.692 121 2HG ARG 22 2HG ARG 22 18.908 -1.505 1.485 122 1HD ARG 22 1HD ARG 22 17.299 -3.180 1.181 123 2HD ARG 22 2HD ARG 22 17.858 -3.410 2.835 124 HE ARG 22 HE ARG 22 15.402 -1.914 2.228 125 1HH1 ARG 22 1HH1 ARG 22 17.039 -4.537 3.866 126 1HH2 ARG 22 1HH2 ARG 22 13.673 -2.305 3.684 127 2HH1 ARG 22 2HH1 ARG 22 15.720 -4.864 4.943 128 2HH2 ARG 22 2HH2 ARG 22 13.809 -3.592 4.838 129 H VAL 23 H VAL 23 18.091 1.765 4.607 130 HA VAL 23 HA VAL 23 19.749 1.608 6.913 131 HB VAL 23 HB VAL 23 18.563 4.078 5.670 132 H VAL 24 H VAL 24 16.477 2.725 6.278 133 HA VAL 24 HA VAL 24 15.808 3.574 8.847 134 HB VAL 24 HB VAL 24 14.314 2.580 6.446 135 H ASN 25 H ASN 25 15.961 0.484 7.315 136 HA ASN 25 HA ASN 25 14.848 -1.000 9.555 137 1HB ASN 25 1HB ASN 25 15.745 -1.648 6.808 138 2HB ASN 25 2HB ASN 25 15.921 -2.931 7.998 139 1HD2 ASN 25 1HD2 ASN 25 13.751 -1.013 6.150 140 1HD2 ASN 25 1HD2 ASN 25 12.298 -1.886 6.557 141 H GLN 26 H GLN 26 17.499 0.597 9.505 142 HA GLN 26 HA GLN 26 19.124 0.519 11.165 143 1HB GLN 26 1HB GLN 26 18.490 -2.353 11.130 144 2HB GLN 26 2HB GLN 26 20.087 -1.875 11.678 145 1HG GLN 26 1HG GLN 26 17.999 -2.109 13.284 146 2HG GLN 26 2HG GLN 26 19.303 -0.975 13.587 147 H ALA 27 H ALA 27 19.056 -1.411 8.315 148 HA ALA 27 HA ALA 27 20.335 -1.120 6.444 149 1HB ALA 27 1HB ALA 27 22.669 -0.232 8.125 150 2HB ALA 27 2HB ALA 27 21.480 0.879 7.445 151 3HB ALA 27 3HB ALA 27 22.471 -0.112 6.377 152 H SER 28 H SER 28 21.904 -2.409 5.497 153 HA SER 28 HA SER 28 23.422 -4.385 6.692 154 1HB SER 28 1HB SER 28 20.643 -5.243 5.965 155 2HB SER 28 2HB SER 28 21.979 -6.380 5.951 156 HG SER 28 HG SER 28 21.465 -4.788 8.219 157 H HIS 29 H HIS 29 21.089 -4.574 4.075 158 HA HIS 29 HA HIS 29 23.159 -4.979 2.123 159 1HB HIS 29 1HB HIS 29 20.158 -4.846 2.009 160 2HB HIS 29 2HB HIS 29 21.099 -4.764 0.521 161 HD1 HIS 29 HD1 HIS 29 20.336 -7.072 -0.343 162 HD2 HIS 29 HD2 HIS 29 22.170 -7.187 3.382 163 HE1 HIS 29 HE1 HIS 29 20.824 -9.499 0.101 164 HE2 HIS 29 HE2 HIS 29 21.768 -9.558 2.430 165 H VAL 30 H VAL 30 23.496 -2.623 3.456 166 HA VAL 30 HA VAL 30 23.221 -0.614 1.362 167 HB VAL 30 HB VAL 30 22.348 -0.453 4.193 168 H SER 31 H SER 31 25.201 0.235 0.837 169 HA SER 31 HA SER 31 27.540 -0.576 2.171 170 1HB SER 31 1HB SER 31 28.085 1.739 0.642 171 2HB SER 31 2HB SER 31 28.297 0.054 0.148 172 HG SER 31 HG SER 31 26.922 0.957 -1.324 173 H ALA 32 H ALA 32 28.978 0.665 3.449 174 HA ALA 32 HA ALA 32 27.964 2.179 5.490 175 1HB ALA 32 1HB ALA 32 30.744 2.457 4.352 176 2HB ALA 32 2HB ALA 32 30.222 1.199 5.471 177 3HB ALA 32 3HB ALA 32 30.226 2.885 5.983 178 H LYS 33 H LYS 33 29.359 3.379 2.456 179 HA LYS 33 HA LYS 33 29.126 6.097 3.015 180 1HB LYS 33 1HB LYS 33 30.397 5.016 1.119 181 2HB LYS 33 2HB LYS 33 28.856 4.897 0.295 182 1HG LYS 33 1HG LYS 33 30.035 6.838 -0.497 183 2HG LYS 33 2HG LYS 33 28.615 7.342 0.419 184 1HD LYS 33 1HD LYS 33 31.049 7.055 2.026 185 2HD LYS 33 2HD LYS 33 31.143 8.303 0.784 186 1HE LYS 33 1HE LYS 33 29.273 9.454 1.660 187 2HE LYS 33 2HE LYS 33 28.829 8.093 2.691 188 1HZ LYS 33 1HZ LYS 33 31.475 9.165 3.151 189 2HZ LYS 33 2HZ LYS 33 30.208 10.223 3.520 190 3HZ LYS 33 3HZ LYS 33 30.283 8.702 4.265 191 H THR 34 H THR 34 26.824 3.837 1.637 192 HA THR 34 HA THR 34 24.853 5.751 0.992 193 HB THR 34 HB THR 34 24.492 2.843 1.517 194 HG1 THR 34 HG1 THR 34 25.058 2.510 -0.569 195 H ARG 35 H ARG 35 25.328 3.606 3.731 196 HA ARG 35 HA ARG 35 23.128 4.204 5.228 197 1HB ARG 35 1HB ARG 35 24.724 2.548 5.963 198 2HB ARG 35 2HB ARG 35 25.976 3.764 6.156 199 1HG ARG 35 1HG ARG 35 23.468 3.979 7.753 200 2HG ARG 35 2HG ARG 35 24.702 2.829 8.228 201 1HD ARG 35 1HD ARG 35 26.296 4.538 8.496 202 2HD ARG 35 2HD ARG 35 25.247 5.720 7.740 203 HE ARG 35 HE ARG 35 23.744 5.406 9.715 204 1HH1 ARG 35 1HH1 ARG 35 27.187 4.795 9.966 205 1HH2 ARG 35 1HH2 ARG 35 23.807 5.783 11.944 206 2HH1 ARG 35 2HH1 ARG 35 27.235 5.084 11.672 207 2HH2 ARG 35 2HH2 ARG 35 25.307 5.645 12.807 208 H GLU 36 H GLU 36 26.076 6.028 4.922 209 HA GLU 36 HA GLU 36 25.308 8.105 6.734 210 1HB GLU 36 1HB GLU 36 27.508 7.791 4.757 211 2HB GLU 36 2HB GLU 36 27.275 9.298 5.606 212 1HG GLU 36 1HG GLU 36 27.909 8.409 7.606 213 2HG GLU 36 2HG GLU 36 27.501 6.768 7.121 214 H LYS 37 H LYS 37 25.228 7.536 3.336 215 HA LYS 37 HA LYS 37 24.637 9.991 2.234 216 1HB LYS 37 1HB LYS 37 25.163 7.939 0.976 217 2HB LYS 37 2HB LYS 37 23.622 7.260 1.467 218 1HG LYS 37 1HG LYS 37 22.632 9.371 0.344 219 2HG LYS 37 2HG LYS 37 24.175 9.407 -0.511 220 1HD LYS 37 1HD LYS 37 22.371 6.994 -0.374 221 2HD LYS 37 2HD LYS 37 22.349 8.162 -1.698 222 1HE LYS 37 1HE LYS 37 24.490 6.215 -0.925 223 2HE LYS 37 2HE LYS 37 23.701 6.429 -2.481 224 1HZ LYS 37 1HZ LYS 37 24.846 8.559 -2.718 225 2HZ LYS 37 2HZ LYS 37 25.629 8.317 -1.240 226 3HZ LYS 37 3HZ LYS 37 25.947 7.284 -2.539 227 H VAL 38 H VAL 38 22.415 7.567 3.364 228 HA VAL 38 HA VAL 38 20.141 9.230 2.802 229 HB VAL 38 HB VAL 38 18.785 7.484 3.028 230 H GLU 39 H GLU 39 21.952 8.286 5.687 231 HA GLU 39 HA GLU 39 20.138 9.249 7.566 232 1HB GLU 39 1HB GLU 39 23.111 8.836 7.521 233 2HB GLU 39 2HB GLU 39 22.299 9.484 8.925 234 1HG GLU 39 1HG GLU 39 20.835 7.231 8.201 235 2HG GLU 39 2HG GLU 39 22.528 6.775 8.033 236 H ALA 40 H ALA 40 22.723 10.739 5.729 237 HA ALA 40 HA ALA 40 22.618 13.258 6.920 238 1HB ALA 40 1HB ALA 40 24.461 12.652 5.489 239 2HB ALA 40 2HB ALA 40 23.376 12.507 4.107 240 3HB ALA 40 3HB ALA 40 23.671 14.086 4.836 241 H ALA 41 H ALA 41 20.866 11.877 4.234 242 HA ALA 41 HA ALA 41 19.418 14.168 3.498 243 1HB ALA 41 1HB ALA 41 18.720 11.254 3.146 244 2HB ALA 41 2HB ALA 41 17.938 12.602 2.324 245 3HB ALA 41 3HB ALA 41 19.637 12.251 2.015 246 H MET 42 H MET 42 18.684 11.417 5.593 247 HA MET 42 HA MET 42 16.134 12.075 6.390 248 1HB MET 42 1HB MET 42 18.379 10.765 7.907 249 2HB MET 42 2HB MET 42 16.750 10.878 8.526 250 1HG MET 42 1HG MET 42 15.918 9.484 6.760 251 2HG MET 42 2HG MET 42 17.502 9.485 5.976 252 1HE MET 42 1HE MET 42 15.652 6.922 6.874 253 2HE MET 42 2HE MET 42 17.142 6.738 5.949 254 3HE MET 42 3HE MET 42 16.901 5.804 7.428 255 H ALA 43 H ALA 43 19.202 13.144 7.494 256 HA ALA 43 HA ALA 43 18.422 14.481 9.841 257 1HB ALA 43 1HB ALA 43 20.864 14.862 8.135 258 2HB ALA 43 2HB ALA 43 20.691 13.755 9.496 259 3HB ALA 43 3HB ALA 43 20.651 15.497 9.769 260 H GLU 44 H GLU 44 19.103 15.789 6.609 261 HA GLU 44 HA GLU 44 18.815 18.471 7.276 262 1HB GLU 44 1HB GLU 44 18.210 17.227 4.643 263 2HB GLU 44 2HB GLU 44 18.686 18.884 4.945 264 1HG GLU 44 1HG GLU 44 20.724 17.523 6.090 265 2HG GLU 44 2HG GLU 44 20.281 16.467 4.757 266 H LEU 45 H LEU 45 16.533 16.226 5.885 267 HA LEU 45 HA LEU 45 14.385 18.094 5.832 268 1HB LEU 45 1HB LEU 45 14.064 15.133 5.624 269 2HB LEU 45 2HB LEU 45 13.208 16.403 4.793 270 HG LEU 45 HG LEU 45 16.090 16.145 4.164 271 H ASN 46 H ASN 46 15.611 15.783 8.071 272 HA ASN 46 HA ASN 46 15.066 15.215 10.181 273 1HB ASN 46 1HB ASN 46 14.426 17.540 10.585 274 2HB ASN 46 2HB ASN 46 12.854 17.208 9.910 275 1HD2 ASN 46 1HD2 ASN 46 14.988 16.644 12.550 276 1HD2 ASN 46 1HD2 ASN 46 13.777 16.121 13.666 277 H TYR 47 H TYR 47 14.706 13.431 8.695 278 HA TYR 47 HA TYR 47 12.098 12.585 7.988 279 1HB TYR 47 1HB TYR 47 13.967 11.775 6.718 280 2HB TYR 47 2HB TYR 47 14.725 11.120 8.163 281 HD1 TYR 47 HD1 TYR 47 11.439 10.814 6.390 282 HD2 TYR 47 HD2 TYR 47 14.576 8.839 8.480 283 HE1 TYR 47 HE1 TYR 47 10.296 8.655 6.072 284 HE2 TYR 47 HE2 TYR 47 13.441 6.694 8.162 285 HH TYR 47 HH TYR 47 10.673 6.349 6.102 286 H ILE 48 H ILE 48 10.633 11.464 9.048 287 HA ILE 48 HA ILE 48 11.418 9.871 11.372 288 HB ILE 48 HB ILE 48 9.063 11.775 11.269 289 HA PRO 49 HA PRO 49 8.966 7.184 8.769 290 1HB PRO 49 1HB PRO 49 9.487 4.882 10.076 291 2HB PRO 49 2HB PRO 49 10.653 5.646 8.987 292 1HG PRO 49 1HG PRO 49 10.583 5.595 11.957 293 2HG PRO 49 2HG PRO 49 11.968 5.606 10.853 294 1HD PRO 49 1HD PRO 49 10.977 7.809 12.238 295 2HD PRO 49 2HD PRO 49 12.058 7.882 10.835 296 H ASN 50 H ASN 50 7.135 5.560 9.160 297 HA ASN 50 HA ASN 50 5.637 6.419 11.512 298 1HB ASN 50 1HB ASN 50 4.922 5.880 8.676 299 2HB ASN 50 2HB ASN 50 3.777 5.326 9.896 300 1HD2 ASN 50 1HD2 ASN 50 4.174 7.648 7.835 301 1HD2 ASN 50 1HD2 ASN 50 3.535 8.995 8.715 302 H ARG 51 H ARG 51 5.317 4.916 12.975 303 HA ARG 51 HA ARG 51 6.502 2.403 12.869 304 1HB ARG 51 1HB ARG 51 5.132 3.956 14.778 305 2HB ARG 51 2HB ARG 51 4.357 2.380 14.755 306 1HG ARG 51 1HG ARG 51 6.000 2.123 16.352 307 2HG ARG 51 2HG ARG 51 6.750 1.442 14.907 308 1HD ARG 51 1HD ARG 51 7.161 4.338 15.413 309 2HD ARG 51 2HD ARG 51 7.977 3.217 16.498 310 HE ARG 51 HE ARG 51 8.366 2.590 13.721 311 1HH1 ARG 51 1HH1 ARG 51 9.518 4.578 16.374 312 1HH2 ARG 51 1HH2 ARG 51 10.475 2.843 12.854 313 2HH1 ARG 51 2HH1 ARG 51 11.109 4.756 15.710 314 2HH2 ARG 51 2HH2 ARG 51 11.656 3.765 13.733 315 H CYS 52 H CYS 52 3.333 3.345 11.753 316 HA CYS 52 HA CYS 52 2.250 0.670 11.878 317 1HB CYS 52 1HB CYS 52 1.081 3.100 11.849 318 2HB CYS 52 2HB CYS 52 1.035 2.720 10.131 319 H ALA 53 H ALA 53 3.119 2.888 9.297 320 HA ALA 53 HA ALA 53 2.912 1.231 7.153 321 1HB ALA 53 1HB ALA 53 3.586 3.646 7.114 322 2HB ALA 53 2HB ALA 53 5.222 3.133 7.522 323 3HB ALA 53 3HB ALA 53 4.488 2.613 6.007 324 H GLN 54 H GLN 54 5.496 1.364 9.508 325 HA GLN 54 HA GLN 54 7.231 -0.495 8.252 326 1HB GLN 54 1HB GLN 54 7.000 0.368 11.125 327 2HB GLN 54 2HB GLN 54 8.352 -0.496 10.416 328 1HG GLN 54 1HG GLN 54 8.519 1.468 8.792 329 2HG GLN 54 2HG GLN 54 7.488 2.314 9.941 330 H GLN 55 H GLN 55 4.780 -0.662 10.773 331 HA GLN 55 HA GLN 55 5.150 -3.367 11.461 332 1HB GLN 55 1HB GLN 55 2.883 -1.441 11.799 333 2HB GLN 55 2HB GLN 55 2.708 -3.115 12.283 334 1HG GLN 55 1HG GLN 55 4.127 -0.907 13.551 335 2HG GLN 55 2HG GLN 55 3.447 -2.368 14.267 336 H LEU 56 H LEU 56 2.910 -1.777 9.237 337 HA LEU 56 HA LEU 56 1.590 -4.094 8.341 338 1HB LEU 56 1HB LEU 56 1.083 -1.562 8.030 339 2HB LEU 56 2HB LEU 56 2.115 -1.696 6.613 340 HG LEU 56 HG LEU 56 0.622 -3.326 5.630 341 H ALA 57 H ALA 57 3.919 -2.176 6.604 342 HA ALA 57 HA ALA 57 4.529 -3.964 4.583 343 1HB ALA 57 1HB ALA 57 5.206 -1.550 4.686 344 2HB ALA 57 2HB ALA 57 6.559 -2.048 5.700 345 3HB ALA 57 3HB ALA 57 6.427 -2.651 4.047 346 H GLY 58 H GLY 58 5.736 -3.945 7.847 347 1HA GLY 58 1HA GLY 58 7.303 -5.256 8.901 348 2HA GLY 58 2HA GLY 58 7.894 -5.748 7.318 349 H LYS 59 H LYS 59 4.583 -6.160 7.510 350 HA LYS 59 HA LYS 59 4.810 -8.887 8.503 351 1HB LYS 59 1HB LYS 59 3.131 -7.228 9.480 352 2HB LYS 59 2HB LYS 59 2.257 -7.433 7.974 353 1HG LYS 59 1HG LYS 59 2.510 -9.979 8.569 354 2HG LYS 59 2HG LYS 59 2.636 -9.336 10.209 355 1HD LYS 59 1HD LYS 59 0.358 -9.750 9.942 356 2HD LYS 59 2HD LYS 59 0.499 -8.024 9.597 357 1HE LYS 59 1HE LYS 59 -0.928 -9.232 7.972 358 2HE LYS 59 2HE LYS 59 0.460 -8.437 7.234 359 1HZ LYS 59 1HZ LYS 59 0.956 -11.173 8.017 360 2HZ LYS 59 2HZ LYS 59 -0.233 -11.007 6.820 361 3HZ LYS 59 3HZ LYS 59 1.314 -10.370 6.568 362 H GLN 60 H GLN 60 5.857 -8.612 6.005 363 HA GLN 60 HA GLN 60 4.114 -8.880 3.854 364 1HB GLN 60 1HB GLN 60 6.732 -10.284 3.952 365 2HB GLN 60 2HB GLN 60 5.948 -9.539 2.585 366 1HG GLN 60 1HG GLN 60 7.339 -7.845 2.901 367 2HG GLN 60 2HG GLN 60 6.321 -7.423 4.278 368 H SER 61 H SER 61 6.014 -11.522 5.219 369 HA SER 61 HA SER 61 3.844 -13.360 4.478 370 1HB SER 61 1HB SER 61 6.304 -14.702 5.090 371 2HB SER 61 2HB SER 61 5.409 -14.673 3.574 372 HG SER 61 HG SER 61 6.635 -13.083 2.844 373 H LEU 62 H LEU 62 4.196 -11.766 7.011 374 HA LEU 62 HA LEU 62 4.626 -13.881 8.968 375 1HB LEU 62 1HB LEU 62 5.703 -11.718 9.368 376 2HB LEU 62 2HB LEU 62 4.138 -10.929 9.348 377 HG LEU 62 HG LEU 62 3.507 -12.306 11.353 378 H1 MET 101 H1 MET 101 1.297 -17.437 4.114 379 H2 MET 101 H2 MET 101 1.045 -18.206 5.597 380 H3 MET 101 H3 MET 101 1.078 -19.109 4.167 381 HA MET 101 HA MET 101 -0.903 -17.999 3.383 382 1HB MET 101 1HB MET 101 -1.030 -19.312 6.096 383 2HB MET 101 2HB MET 101 -2.473 -18.858 5.204 384 1HG MET 101 1HG MET 101 -1.501 -20.263 3.297 385 2HG MET 101 2HG MET 101 -0.424 -20.928 4.523 386 1HE MET 101 1HE MET 101 -1.313 -21.995 6.775 387 2HE MET 101 2HE MET 101 -2.562 -20.791 7.093 388 3HE MET 101 3HE MET 101 -2.981 -22.504 7.052 389 H LYS 102 H LYS 102 -2.960 -16.944 4.430 390 HA LYS 102 HA LYS 102 -2.176 -14.770 6.222 391 1HB LYS 102 1HB LYS 102 -3.158 -13.072 4.849 392 2HB LYS 102 2HB LYS 102 -2.071 -13.993 3.816 393 1HG LYS 102 1HG LYS 102 -3.743 -14.770 2.518 394 2HG LYS 102 2HG LYS 102 -4.872 -14.907 3.868 395 1HD LYS 102 1HD LYS 102 -4.981 -12.369 3.847 396 2HD LYS 102 2HD LYS 102 -4.134 -12.444 2.301 397 1HE LYS 102 1HE LYS 102 -6.584 -12.275 2.050 398 2HE LYS 102 2HE LYS 102 -5.921 -13.741 1.332 399 1HZ LYS 102 1HZ LYS 102 -6.831 -13.929 4.098 400 2HZ LYS 102 2HZ LYS 102 -8.032 -13.753 2.915 401 3HZ LYS 102 3HZ LYS 102 -6.948 -15.053 2.836 402 HA PRO 103 HA PRO 103 -6.068 -15.741 8.101 403 1HB PRO 103 1HB PRO 103 -6.377 -12.991 8.971 404 2HB PRO 103 2HB PRO 103 -6.029 -14.424 9.934 405 1HG PRO 103 1HG PRO 103 -4.209 -12.454 9.529 406 2HG PRO 103 2HG PRO 103 -3.756 -14.152 9.770 407 1HD PRO 103 1HD PRO 103 -3.942 -12.577 7.228 408 2HD PRO 103 2HD PRO 103 -2.729 -13.777 7.731 409 H VAL 104 H VAL 104 -8.346 -14.648 8.383 410 HA VAL 104 HA VAL 104 -9.434 -14.215 5.807 411 HB VAL 104 HB VAL 104 -10.726 -13.334 8.368 412 H THR 105 H THR 105 -10.284 -12.268 4.925 413 HA THR 105 HA THR 105 -9.480 -9.802 6.256 414 HB THR 105 HB THR 105 -8.431 -8.982 4.056 415 HG1 THR 105 HG1 THR 105 -8.762 -11.691 3.540 416 H LEU 106 H LEU 106 -9.949 -7.964 4.447 417 HA LEU 106 HA LEU 106 -12.813 -8.111 4.226 418 1HB LEU 106 1HB LEU 106 -12.058 -5.979 2.612 419 2HB LEU 106 2HB LEU 106 -12.648 -5.901 4.257 420 HG LEU 106 HG LEU 106 -10.083 -6.295 4.793 421 H TYR 107 H TYR 107 -10.157 -8.834 2.137 422 HA TYR 107 HA TYR 107 -11.469 -8.618 -0.343 423 1HB TYR 107 1HB TYR 107 -9.124 -10.238 0.646 424 2HB TYR 107 2HB TYR 107 -9.707 -10.361 -1.007 425 HD1 TYR 107 HD1 TYR 107 -9.324 -8.591 -2.600 426 HD2 TYR 107 HD2 TYR 107 -8.038 -8.210 1.434 427 HE1 TYR 107 HE1 TYR 107 -7.895 -6.700 -3.242 428 HE2 TYR 107 HE2 TYR 107 -6.607 -6.312 0.803 429 HH TYR 107 HH TYR 107 -5.445 -5.556 -1.391 430 H ASP 108 H ASP 108 -11.110 -11.158 2.022 431 HA ASP 108 HA ASP 108 -12.272 -13.270 0.587 432 1HB ASP 108 1HB ASP 108 -11.916 -12.729 3.547 433 2HB ASP 108 2HB ASP 108 -12.411 -14.281 2.894 434 H VAL 109 H VAL 109 -13.555 -11.299 3.260 435 HA VAL 109 HA VAL 109 -16.127 -12.363 2.924 436 HB VAL 109 HB VAL 109 -16.616 -11.408 4.827 437 H ALA 110 H ALA 110 -14.488 -9.808 1.307 438 HA ALA 110 HA ALA 110 -16.841 -8.568 0.238 439 1HB ALA 110 1HB ALA 110 -14.053 -8.502 -0.898 440 2HB ALA 110 2HB ALA 110 -15.375 -7.392 -1.263 441 3HB ALA 110 3HB ALA 110 -14.652 -7.404 0.348 442 H GLU 111 H GLU 111 -14.711 -11.154 -0.603 443 HA GLU 111 HA GLU 111 -15.628 -11.624 -3.252 444 1HB GLU 111 1HB GLU 111 -13.666 -12.629 -1.486 445 2HB GLU 111 2HB GLU 111 -14.637 -13.997 -1.988 446 1HG GLU 111 1HG GLU 111 -13.174 -12.063 -3.768 447 2HG GLU 111 2HG GLU 111 -12.798 -13.758 -3.493 448 H TYR 112 H TYR 112 -16.248 -12.900 -0.108 449 HA TYR 112 HA TYR 112 -18.158 -14.868 -0.620 450 1HB TYR 112 1HB TYR 112 -16.818 -13.804 1.497 451 2HB TYR 112 2HB TYR 112 -18.449 -13.263 1.790 452 HD1 TYR 112 HD1 TYR 112 -16.756 -16.439 0.771 453 HD2 TYR 112 HD2 TYR 112 -19.678 -14.536 3.196 454 HE1 TYR 112 HE1 TYR 112 -17.273 -18.595 1.834 455 HE2 TYR 112 HE2 TYR 112 -20.205 -16.663 4.255 456 HH TYR 112 HH TYR 112 -19.941 -18.915 4.120 457 H ALA 113 H ALA 113 -18.571 -11.682 0.671 458 HA ALA 113 HA ALA 113 -21.334 -11.521 0.584 459 1HB ALA 113 1HB ALA 113 -20.125 -10.021 1.957 460 2HB ALA 113 2HB ALA 113 -21.015 -9.055 0.778 461 3HB ALA 113 3HB ALA 113 -19.287 -9.333 0.567 462 H GLY 114 H GLY 114 -19.063 -11.101 -1.963 463 1HA GLY 114 1HA GLY 114 -21.227 -10.806 -3.867 464 2HA GLY 114 2HA GLY 114 -19.521 -11.029 -4.247 465 H VAL 115 H VAL 115 -18.465 -8.951 -2.724 466 HA VAL 115 HA VAL 115 -19.358 -6.615 -4.222 467 HB VAL 115 HB VAL 115 -19.138 -5.193 -2.205 468 H SER 116 H SER 116 -17.586 -4.840 -3.014 469 HA SER 116 HA SER 116 -14.987 -6.002 -3.746 470 1HB SER 116 1HB SER 116 -14.290 -3.762 -4.374 471 2HB SER 116 2HB SER 116 -15.815 -4.122 -5.184 472 HG SER 116 HG SER 116 -16.883 -2.902 -3.616 473 H VAL 117 H VAL 117 -13.199 -4.465 -2.661 474 HA VAL 117 HA VAL 117 -13.504 -4.942 0.148 475 HB VAL 117 HB VAL 117 -11.230 -4.085 0.320 476 H ALA 118 H ALA 118 -14.150 -2.449 -2.028 477 HA ALA 118 HA ALA 118 -13.869 -0.239 -0.286 478 1HB ALA 118 1HB ALA 118 -15.577 -0.532 -2.759 479 2HB ALA 118 2HB ALA 118 -15.140 0.984 -1.968 480 3HB ALA 118 3HB ALA 118 -13.894 -0.005 -2.729 481 H THR 119 H THR 119 -16.478 -2.480 -1.155 482 HA THR 119 HA THR 119 -18.511 -1.128 0.247 483 HB THR 119 HB THR 119 -18.651 -4.068 -0.050 484 HG1 THR 119 HG1 THR 119 -19.076 -2.649 -2.396 485 H VAL 120 H VAL 120 -16.548 -3.926 1.035 486 HA VAL 120 HA VAL 120 -17.554 -4.388 3.603 487 HB VAL 120 HB VAL 120 -14.888 -5.079 2.389 488 H SER 121 H SER 121 -14.843 -2.388 2.538 489 HA SER 121 HA SER 121 -13.830 -1.699 5.006 490 1HB SER 121 1HB SER 121 -12.592 -1.092 3.081 491 2HB SER 121 2HB SER 121 -13.948 -0.206 2.390 492 HG SER 121 HG SER 121 -12.194 0.513 4.464 493 H ARG 122 H ARG 122 -16.651 -0.457 3.240 494 HA ARG 122 HA ARG 122 -17.121 1.770 4.909 495 1HB ARG 122 1HB ARG 122 -19.286 0.175 3.603 496 2HB ARG 122 2HB ARG 122 -19.295 1.868 4.010 497 1HG ARG 122 1HG ARG 122 -17.578 0.643 1.880 498 2HG ARG 122 2HG ARG 122 -19.122 1.442 1.601 499 1HD ARG 122 1HD ARG 122 -17.546 3.099 1.137 500 2HD ARG 122 2HD ARG 122 -18.065 3.463 2.782 501 HE ARG 122 HE ARG 122 -15.624 1.919 2.261 502 1HH1 ARG 122 1HH1 ARG 122 -17.206 4.729 3.616 503 1HH2 ARG 122 1HH2 ARG 122 -13.893 2.405 3.676 504 2HH1 ARG 122 2HH1 ARG 122 -15.883 5.125 4.671 505 2HH2 ARG 122 2HH2 ARG 122 -13.999 3.801 4.700 506 H VAL 123 H VAL 123 -18.281 -1.538 4.987 507 HA VAL 123 HA VAL 123 -19.936 -1.188 7.278 508 HB VAL 123 HB VAL 123 -18.739 -3.757 6.269 509 H VAL 124 H VAL 124 -16.676 -2.372 6.733 510 HA VAL 124 HA VAL 124 -15.981 -2.996 9.359 511 HB VAL 124 HB VAL 124 -14.508 -2.223 6.863 512 H ASN 125 H ASN 125 -16.135 -0.057 7.561 513 HA ASN 125 HA ASN 125 -14.968 1.623 9.618 514 1HB ASN 125 1HB ASN 125 -15.953 2.002 6.856 515 2HB ASN 125 2HB ASN 125 -16.145 3.388 7.920 516 1HD2 ASN 125 1HD2 ASN 125 -13.934 1.310 6.282 517 1HD2 ASN 125 1HD2 ASN 125 -12.507 2.273 6.552 518 H GLN 126 H GLN 126 -17.683 0.030 9.687 519 HA GLN 126 HA GLN 126 -19.259 0.232 11.398 520 1HB GLN 126 1HB GLN 126 -18.668 3.108 11.138 521 2HB GLN 126 2HB GLN 126 -20.248 2.646 11.748 522 1HG GLN 126 1HG GLN 126 -18.162 3.038 13.303 523 2HG GLN 126 2HG GLN 126 -19.413 1.873 13.700 524 H ALA 127 H ALA 127 -19.249 1.880 8.400 525 HA ALA 127 HA ALA 127 -20.542 1.411 6.583 526 1HB ALA 127 1HB ALA 127 -22.865 0.670 8.344 527 2HB ALA 127 2HB ALA 127 -22.646 0.356 6.625 528 3HB ALA 127 3HB ALA 127 -21.653 -0.491 7.809 529 H SER 128 H SER 128 -22.071 2.628 5.517 530 HA SER 128 HA SER 128 -23.559 4.734 6.554 531 1HB SER 128 1HB SER 128 -20.817 5.497 5.589 532 2HB SER 128 2HB SER 128 -22.146 6.640 5.676 533 HG SER 128 HG SER 128 -21.649 5.176 7.982 534 H HIS 129 H HIS 129 -21.303 4.695 3.869 535 HA HIS 129 HA HIS 129 -23.427 4.925 1.950 536 1HB HIS 129 1HB HIS 129 -20.432 4.827 1.784 537 2HB HIS 129 2HB HIS 129 -21.391 4.597 0.325 538 HD1 HIS 129 HD1 HIS 129 -20.586 6.840 -0.701 539 HD2 HIS 129 HD2 HIS 129 -22.546 7.232 2.943 540 HE1 HIS 129 HE1 HIS 129 -21.135 9.279 -0.478 541 HE2 HIS 129 HE2 HIS 129 -22.111 9.518 1.824 542 H VAL 130 H VAL 130 -23.705 2.676 3.474 543 HA VAL 130 HA VAL 130 -23.442 0.507 1.546 544 HB VAL 130 HB VAL 130 -22.524 0.588 4.372 545 H SER 131 H SER 131 -25.439 -0.359 1.112 546 HA SER 131 HA SER 131 -27.750 0.550 2.428 547 1HB SER 131 1HB SER 131 -28.368 -1.875 1.146 548 2HB SER 131 2HB SER 131 -28.523 -0.249 0.466 549 HG SER 131 HG SER 131 -27.104 -1.014 -0.915 550 H ALA 132 H ALA 132 -29.137 -0.547 3.872 551 HA ALA 132 HA ALA 132 -28.066 -1.877 6.009 552 1HB ALA 132 1HB ALA 132 -30.287 -0.880 6.051 553 2HB ALA 132 2HB ALA 132 -30.346 -2.555 6.600 554 3HB ALA 132 3HB ALA 132 -30.886 -2.141 4.976 555 H LYS 133 H LYS 133 -29.549 -3.334 3.123 556 HA LYS 133 HA LYS 133 -29.324 -5.999 3.902 557 1HB LYS 133 1HB LYS 133 -30.617 -5.128 1.936 558 2HB LYS 133 2HB LYS 133 -29.085 -4.992 1.097 559 1HG LYS 133 1HG LYS 133 -30.088 -7.018 0.386 560 2HG LYS 133 2HG LYS 133 -28.753 -7.446 1.458 561 1HD LYS 133 1HD LYS 133 -31.391 -7.100 2.748 562 2HD LYS 133 2HD LYS 133 -31.222 -8.479 1.672 563 1HE LYS 133 1HE LYS 133 -29.575 -9.463 2.957 564 2HE LYS 133 2HE LYS 133 -29.147 -7.945 3.729 565 1HZ LYS 133 1HZ LYS 133 -31.818 -8.549 4.318 566 2HZ LYS 133 2HZ LYS 133 -30.873 -9.902 4.670 567 3HZ LYS 133 3HZ LYS 133 -30.513 -8.411 5.387 568 H THR 134 H THR 134 -27.021 -3.889 2.307 569 HA THR 134 HA THR 134 -25.062 -5.860 1.813 570 HB THR 134 HB THR 134 -24.687 -2.921 2.079 571 HG1 THR 134 HG1 THR 134 -25.609 -2.756 0.168 572 H ARG 135 H ARG 135 -25.472 -3.460 4.358 573 HA ARG 135 HA ARG 135 -23.231 -3.939 5.847 574 1HB ARG 135 1HB ARG 135 -24.775 -2.206 6.496 575 2HB ARG 135 2HB ARG 135 -26.052 -3.377 6.791 576 1HG ARG 135 1HG ARG 135 -23.535 -3.564 8.377 577 2HG ARG 135 2HG ARG 135 -24.704 -2.317 8.768 578 1HD ARG 135 1HD ARG 135 -26.403 -3.961 9.101 579 2HD ARG 135 2HD ARG 135 -25.314 -5.234 8.582 580 HE ARG 135 HE ARG 135 -23.969 -4.756 10.585 581 1HH1 ARG 135 1HH1 ARG 135 -27.300 -3.648 10.528 582 1HH2 ARG 135 1HH2 ARG 135 -24.184 -4.755 12.850 583 2HH1 ARG 135 2HH1 ARG 135 -27.450 -3.615 12.256 584 2HH2 ARG 135 2HH2 ARG 135 -25.673 -4.252 13.584 585 H GLU 136 H GLU 136 -26.203 -5.751 5.781 586 HA GLU 136 HA GLU 136 -25.422 -7.655 7.764 587 1HB GLU 136 1HB GLU 136 -27.633 -7.583 5.763 588 2HB GLU 136 2HB GLU 136 -27.423 -8.912 6.872 589 1HG GLU 136 1HG GLU 136 -28.009 -7.651 8.686 590 2HG GLU 136 2HG GLU 136 -27.632 -6.134 7.880 591 H LYS 137 H LYS 137 -25.385 -7.419 4.318 592 HA LYS 137 HA LYS 137 -24.813 -9.976 3.466 593 1HB LYS 137 1HB LYS 137 -25.334 -8.056 2.009 594 2HB LYS 137 2HB LYS 137 -23.786 -7.345 2.420 595 1HG LYS 137 1HG LYS 137 -22.798 -9.542 1.508 596 2HG LYS 137 2HG LYS 137 -24.355 -9.699 0.690 597 1HD LYS 137 1HD LYS 137 -22.638 -7.225 0.528 598 2HD LYS 137 2HD LYS 137 -22.530 -8.555 -0.632 599 1HE LYS 137 1HE LYS 137 -24.849 -6.727 -0.099 600 2HE LYS 137 2HE LYS 137 -23.955 -6.934 -1.599 601 1HZ LYS 137 1HZ LYS 137 -24.838 -9.190 -1.759 602 2HZ LYS 137 2HZ LYS 137 -25.732 -8.960 -0.342 603 3HZ LYS 137 3HZ LYS 137 -26.083 -8.047 -1.719 604 H VAL 138 H VAL 138 -22.583 -7.455 4.321 605 HA VAL 138 HA VAL 138 -20.301 -9.152 3.899 606 HB VAL 138 HB VAL 138 -18.952 -7.377 3.995 607 H GLU 139 H GLU 139 -22.105 -7.962 6.697 608 HA GLU 139 HA GLU 139 -20.288 -8.742 8.657 609 1HB GLU 139 1HB GLU 139 -23.271 -8.362 8.587 610 2HB GLU 139 2HB GLU 139 -22.443 -8.871 10.038 611 1HG GLU 139 1HG GLU 139 -20.996 -6.691 9.146 612 2HG GLU 139 2HG GLU 139 -22.682 -6.259 8.871 613 H ALA 140 H ALA 140 -22.863 -10.400 6.961 614 HA ALA 140 HA ALA 140 -22.763 -12.801 8.371 615 1HB ALA 140 1HB ALA 140 -24.623 -12.422 6.943 616 2HB ALA 140 2HB ALA 140 -23.578 -12.192 5.542 617 3HB ALA 140 3HB ALA 140 -23.744 -13.791 6.265 618 H ALA 141 H ALA 141 -21.038 -11.674 5.537 619 HA ALA 141 HA ALA 141 -19.600 -14.025 4.998 620 1HB ALA 141 1HB ALA 141 -19.833 -12.238 3.356 621 2HB ALA 141 2HB ALA 141 -18.130 -12.567 3.672 622 3HB ALA 141 3HB ALA 141 -18.902 -11.153 4.387 623 H MET 142 H MET 142 -18.838 -11.100 6.821 624 HA MET 142 HA MET 142 -16.279 -11.663 7.640 625 1HB MET 142 1HB MET 142 -18.534 -10.243 9.028 626 2HB MET 142 2HB MET 142 -16.919 -10.317 9.695 627 1HG MET 142 1HG MET 142 -16.048 -9.102 7.779 628 2HG MET 142 2HG MET 142 -17.660 -9.085 7.057 629 1HE MET 142 1HE MET 142 -15.812 -6.509 7.596 630 2HE MET 142 2HE MET 142 -17.396 -6.381 6.832 631 3HE MET 142 3HE MET 142 -16.992 -5.351 8.207 632 H ALA 143 H ALA 143 -19.307 -12.591 8.934 633 HA ALA 143 HA ALA 143 -18.494 -13.750 11.355 634 1HB ALA 143 1HB ALA 143 -20.729 -14.702 11.452 635 2HB ALA 143 2HB ALA 143 -20.969 -14.311 9.748 636 3HB ALA 143 3HB ALA 143 -20.777 -13.016 10.931 637 H GLU 144 H GLU 144 -19.287 -15.319 8.264 638 HA GLU 144 HA GLU 144 -19.033 -17.945 9.122 639 1HB GLU 144 1HB GLU 144 -18.468 -16.851 6.416 640 2HB GLU 144 2HB GLU 144 -18.836 -18.519 6.804 641 1HG GLU 144 1HG GLU 144 -20.912 -17.048 7.893 642 2HG GLU 144 2HG GLU 144 -20.570 -16.321 6.330 643 H LEU 145 H LEU 145 -16.745 -15.863 7.509 644 HA LEU 145 HA LEU 145 -14.625 -17.759 7.560 645 1HB LEU 145 1HB LEU 145 -14.270 -14.824 7.163 646 2HB LEU 145 2HB LEU 145 -13.422 -16.152 6.414 647 HG LEU 145 HG LEU 145 -16.308 -15.896 5.792 648 H ASN 146 H ASN 146 -15.722 -15.237 9.650 649 HA ASN 146 HA ASN 146 -15.139 -14.602 11.734 650 1HB ASN 146 1HB ASN 146 -14.421 -16.900 12.212 651 2HB ASN 146 2HB ASN 146 -12.868 -16.527 11.508 652 1HD2 ASN 146 1HD2 ASN 146 -15.055 -15.700 14.057 653 1HD2 ASN 146 1HD2 ASN 146 -13.848 -15.191 15.179 654 H TYR 147 H TYR 147 -14.846 -12.890 10.106 655 HA TYR 147 HA TYR 147 -12.281 -12.050 9.262 656 1HB TYR 147 1HB TYR 147 -14.285 -11.356 8.058 657 2HB TYR 147 2HB TYR 147 -14.887 -10.555 9.503 658 HD1 TYR 147 HD1 TYR 147 -11.684 -10.498 7.560 659 HD2 TYR 147 HD2 TYR 147 -14.751 -8.261 9.480 660 HE1 TYR 147 HE1 TYR 147 -10.532 -8.408 6.975 661 HE2 TYR 147 HE2 TYR 147 -13.598 -6.179 8.895 662 HH TYR 147 HH TYR 147 -10.791 -6.150 6.803 663 H ILE 148 H ILE 148 -10.783 -10.885 10.236 664 HA ILE 148 HA ILE 148 -11.532 -9.102 12.421 665 HB ILE 148 HB ILE 148 -9.213 -11.047 12.483 666 HA PRO 149 HA PRO 149 -9.069 -6.701 9.567 667 1HB PRO 149 1HB PRO 149 -9.570 -4.272 10.663 668 2HB PRO 149 2HB PRO 149 -10.730 -5.115 9.627 669 1HG PRO 149 1HG PRO 149 -10.709 -4.780 12.571 670 2HG PRO 149 2HG PRO 149 -12.078 -4.924 11.462 671 1HD PRO 149 1HD PRO 149 -11.058 -6.955 13.090 672 2HD PRO 149 2HD PRO 149 -12.156 -7.191 11.717 673 H ASN 150 H ASN 150 -7.264 -4.963 9.852 674 HA ASN 150 HA ASN 150 -5.769 -5.620 12.270 675 1HB ASN 150 1HB ASN 150 -5.014 -5.312 9.389 676 2HB ASN 150 2HB ASN 150 -3.848 -4.797 10.612 677 1HD2 ASN 150 1HD2 ASN 150 -3.926 -7.012 8.635 678 1HD2 ASN 150 1HD2 ASN 150 -3.602 -8.435 9.572 679 H ARG 151 H ARG 151 -5.474 -3.950 13.573 680 HA ARG 151 HA ARG 151 -6.637 -1.458 13.192 681 1HB ARG 151 1HB ARG 151 -5.142 -2.768 15.222 682 2HB ARG 151 2HB ARG 151 -4.477 -1.158 15.003 683 1HG ARG 151 1HG ARG 151 -6.097 -0.861 16.632 684 2HG ARG 151 2HG ARG 151 -6.897 -0.336 15.150 685 1HD ARG 151 1HD ARG 151 -7.198 -3.199 15.798 686 2HD ARG 151 2HD ARG 151 -7.950 -2.095 16.946 687 HE ARG 151 HE ARG 151 -8.639 -1.388 14.286 688 1HH1 ARG 151 1HH1 ARG 151 -9.312 -3.783 16.751 689 1HH2 ARG 151 1HH2 ARG 151 -10.748 -1.813 13.533 690 2HH1 ARG 151 2HH1 ARG 151 -10.918 -4.103 16.188 691 2HH2 ARG 151 2HH2 ARG 151 -11.743 -2.976 14.360 692 H CYS 152 H CYS 152 -3.450 -2.532 12.257 693 HA CYS 152 HA CYS 152 -2.342 0.104 12.016 694 1HB CYS 152 1HB CYS 152 -1.197 -2.289 12.259 695 2HB CYS 152 2HB CYS 152 -1.231 -2.184 10.500 696 H ALA 153 H ALA 153 -3.258 -2.347 9.667 697 HA ALA 153 HA ALA 153 -3.039 -0.858 7.398 698 1HB ALA 153 1HB ALA 153 -5.303 -2.787 7.892 699 2HB ALA 153 2HB ALA 153 -4.605 -2.333 6.335 700 3HB ALA 153 3HB ALA 153 -3.655 -3.270 7.490 701 H GLN 154 H GLN 154 -5.646 -0.855 9.732 702 HA GLN 154 HA GLN 154 -7.407 0.865 8.332 703 1HB GLN 154 1HB GLN 154 -7.128 0.261 11.273 704 2HB GLN 154 2HB GLN 154 -8.489 1.076 10.525 705 1HG GLN 154 1HG GLN 154 -8.682 -1.019 9.063 706 2HG GLN 154 2HG GLN 154 -7.665 -1.774 10.283 707 H GLN 155 H GLN 155 -4.966 1.320 10.848 708 HA GLN 155 HA GLN 155 -5.300 4.081 11.223 709 1HB GLN 155 1HB GLN 155 -3.042 2.181 11.736 710 2HB GLN 155 2HB GLN 155 -2.843 3.896 12.034 711 1HG GLN 155 1HG GLN 155 -4.277 1.858 13.544 712 2HG GLN 155 2HG GLN 155 -3.557 3.370 14.090 713 H LEU 156 H LEU 156 -2.999 2.291 9.200 714 HA LEU 156 HA LEU 156 -1.701 4.493 8.060 715 1HB LEU 156 1HB LEU 156 -1.166 1.963 8.041 716 2HB LEU 156 2HB LEU 156 -2.223 1.893 6.643 717 HG LEU 156 HG LEU 156 -0.750 3.299 5.373 718 H ALA 157 H ALA 157 -4.035 2.412 6.527 719 HA ALA 157 HA ALA 157 -4.656 3.996 4.344 720 1HB ALA 157 1HB ALA 157 -6.699 2.212 5.638 721 2HB ALA 157 2HB ALA 157 -6.534 2.627 3.932 722 3HB ALA 157 3HB ALA 157 -5.332 1.597 4.708 723 H GLY 158 H GLY 158 -5.872 4.289 7.592 724 1HA GLY 158 1HA GLY 158 -7.451 5.688 8.505 725 2HA GLY 158 2HA GLY 158 -8.023 6.043 6.880 726 H LYS 159 H LYS 159 -4.734 6.465 6.975 727 HA LYS 159 HA LYS 159 -4.942 9.266 7.761 728 1HB LYS 159 1HB LYS 159 -3.290 7.657 8.875 729 2HB LYS 159 2HB LYS 159 -2.400 7.755 7.370 730 1HG LYS 159 1HG LYS 159 -2.577 10.332 7.778 731 2HG LYS 159 2HG LYS 159 -2.816 9.830 9.454 732 1HD LYS 159 1HD LYS 159 -0.490 10.203 9.194 733 2HD LYS 159 2HD LYS 159 -0.710 8.452 9.197 734 1HE LYS 159 1HE LYS 159 0.826 9.038 7.445 735 2HE LYS 159 2HE LYS 159 -0.684 8.485 6.726 736 1HZ LYS 159 1HZ LYS 159 -0.947 11.222 7.020 737 2HZ LYS 159 2HZ LYS 159 0.620 10.975 6.420 738 3HZ LYS 159 3HZ LYS 159 -0.712 10.357 5.582 739 H GLN 160 H GLN 160 -5.985 8.743 5.302 740 HA GLN 160 HA GLN 160 -4.217 8.814 3.145 741 1HB GLN 160 1HB GLN 160 -6.843 10.184 2.983 742 2HB GLN 160 2HB GLN 160 -6.027 9.214 1.785 743 1HG GLN 160 1HG GLN 160 -7.550 7.680 2.333 744 2HG GLN 160 2HG GLN 160 -6.461 7.362 3.682 745 H SER 161 H SER 161 -6.161 11.495 4.360 746 HA SER 161 HA SER 161 -4.149 13.346 3.297 747 1HB SER 161 1HB SER 161 -6.868 14.233 4.083 748 2HB SER 161 2HB SER 161 -5.813 14.855 2.819 749 HG SER 161 HG SER 161 -6.196 12.604 1.895 750 H LEU 162 H LEU 162 -4.675 11.907 6.060 751 HA LEU 162 HA LEU 162 -4.698 14.212 7.829 752 1HB LEU 162 1HB LEU 162 -5.948 12.180 8.439 753 2HB LEU 162 2HB LEU 162 -4.454 11.265 8.449 754 HG LEU 162 HG LEU 162 -3.654 12.833 10.279 No H/Q in entry = 754 Start of MODEL 11 1 H1 MET 1 H1 MET 1 0.166 16.188 6.234 2 H2 MET 1 H2 MET 1 -1.397 16.804 6.054 3 H3 MET 1 H3 MET 1 -1.155 15.364 6.908 4 HA MET 1 HA MET 1 -1.889 14.565 4.936 5 1HB MET 1 1HB MET 1 -1.899 16.857 3.899 6 2HB MET 1 2HB MET 1 -0.215 16.606 3.467 7 1HG MET 1 1HG MET 1 -0.816 14.724 2.067 8 2HG MET 1 2HG MET 1 -2.500 14.862 2.566 9 1HE MET 1 1HE MET 1 -1.571 14.719 -0.469 10 2HE MET 1 2HE MET 1 -3.260 14.877 0.017 11 3HE MET 1 3HE MET 1 -2.584 15.967 -1.193 12 H LYS 2 H LYS 2 1.304 15.740 3.918 13 HA LYS 2 HA LYS 2 2.408 13.081 4.462 14 1HB LYS 2 1HB LYS 2 1.746 13.018 2.117 15 2HB LYS 2 2HB LYS 2 2.608 14.523 1.813 16 1HG LYS 2 1HG LYS 2 4.606 13.030 2.840 17 2HG LYS 2 2HG LYS 2 3.633 11.776 2.070 18 1HD LYS 2 1HD LYS 2 3.894 12.704 -0.051 19 2HD LYS 2 2HD LYS 2 4.332 14.286 0.593 20 1HE LYS 2 1HE LYS 2 6.055 11.851 0.971 21 2HE LYS 2 2HE LYS 2 6.210 12.918 -0.423 22 1HZ LYS 2 1HZ LYS 2 6.654 14.751 1.083 23 2HZ LYS 2 2HZ LYS 2 6.512 13.725 2.420 24 3HZ LYS 2 3HZ LYS 2 7.778 13.507 1.314 25 HA PRO 3 HA PRO 3 5.510 16.049 5.884 26 1HB PRO 3 1HB PRO 3 6.479 13.962 7.599 27 2HB PRO 3 2HB PRO 3 5.616 15.428 8.052 28 1HG PRO 3 1HG PRO 3 4.593 12.889 8.298 29 2HG PRO 3 2HG PRO 3 3.612 14.363 8.165 30 1HD PRO 3 1HD PRO 3 4.293 12.340 6.072 31 2HD PRO 3 2HD PRO 3 2.776 13.229 6.342 32 H VAL 4 H VAL 4 7.991 15.166 6.638 33 HA VAL 4 HA VAL 4 9.248 14.464 4.210 34 HB VAL 4 HB VAL 4 10.465 13.867 6.873 35 H THR 5 H THR 5 10.086 12.464 3.545 36 HA THR 5 HA THR 5 9.381 10.147 5.175 37 HB THR 5 HB THR 5 8.272 9.067 3.120 38 HG1 THR 5 HG1 THR 5 8.541 11.710 2.301 39 H LEU 6 H LEU 6 9.814 8.116 3.609 40 HA LEU 6 HA LEU 6 12.663 8.226 3.266 41 1HB LEU 6 1HB LEU 6 11.850 5.929 1.922 42 2HB LEU 6 2HB LEU 6 12.494 6.034 3.545 43 HG LEU 6 HG LEU 6 9.967 6.467 4.159 44 H TYR 7 H TYR 7 9.942 8.711 1.198 45 HA TYR 7 HA TYR 7 11.143 8.229 -1.297 46 1HB TYR 7 1HB TYR 7 8.870 9.957 -0.347 47 2HB TYR 7 2HB TYR 7 9.385 9.979 -2.026 48 HD1 TYR 7 HD1 TYR 7 8.927 8.120 -3.490 49 HD2 TYR 7 HD2 TYR 7 7.787 8.002 0.602 50 HE1 TYR 7 HE1 TYR 7 7.446 6.219 -3.970 51 HE2 TYR 7 HE2 TYR 7 6.300 6.096 0.136 52 HH TYR 7 HH TYR 7 5.581 5.078 -3.101 53 H ASP 8 H ASP 8 10.923 10.992 0.813 54 HA ASP 8 HA ASP 8 12.052 12.917 -0.907 55 1HB ASP 8 1HB ASP 8 11.712 12.779 2.107 56 2HB ASP 8 2HB ASP 8 12.138 14.237 1.227 57 H VAL 9 H VAL 9 13.367 11.266 1.973 58 HA VAL 9 HA VAL 9 15.926 12.324 1.490 59 HB VAL 9 HB VAL 9 16.440 11.608 3.494 60 H ALA 10 H ALA 10 14.311 9.580 0.212 61 HA ALA 10 HA ALA 10 16.666 8.238 -0.730 62 1HB ALA 10 1HB ALA 10 13.821 8.036 -1.718 63 2HB ALA 10 2HB ALA 10 15.139 6.936 -2.125 64 3HB ALA 10 3HB ALA 10 14.547 7.028 -0.463 65 H GLU 11 H GLU 11 14.447 10.642 -1.852 66 HA GLU 11 HA GLU 11 15.318 10.816 -4.542 67 1HB GLU 11 1HB GLU 11 13.455 12.116 -2.775 68 2HB GLU 11 2HB GLU 11 14.290 13.313 -3.742 69 1HG GLU 11 1HG GLU 11 12.485 11.108 -4.580 70 2HG GLU 11 2HG GLU 11 12.493 12.797 -5.073 71 H TYR 12 H TYR 12 16.035 12.466 -1.582 72 HA TYR 12 HA TYR 12 17.873 14.386 -2.425 73 1HB TYR 12 1HB TYR 12 16.658 13.642 -0.121 74 2HB TYR 12 2HB TYR 12 18.279 13.077 0.163 75 HD1 TYR 12 HD1 TYR 12 16.865 16.174 -1.382 76 HD2 TYR 12 HD2 TYR 12 19.415 14.449 1.541 77 HE1 TYR 12 HE1 TYR 12 17.515 18.421 -0.635 78 HE2 TYR 12 HE2 TYR 12 20.072 16.669 2.302 79 HH TYR 12 HH TYR 12 19.958 18.867 1.917 80 H ALA 13 H ALA 13 18.392 11.395 -0.766 81 HA ALA 13 HA ALA 13 21.144 11.224 -0.941 82 1HB ALA 13 1HB ALA 13 19.111 9.035 -0.681 83 2HB ALA 13 2HB ALA 13 19.958 9.881 0.615 84 3HB ALA 13 3HB ALA 13 20.844 8.802 -0.464 85 H GLY 14 H GLY 14 18.832 10.636 -3.401 86 1HA GLY 14 1HA GLY 14 20.940 10.123 -5.308 87 2HA GLY 14 2HA GLY 14 19.227 10.306 -5.665 88 H VAL 15 H VAL 15 18.189 8.395 -3.960 89 HA VAL 15 HA VAL 15 19.033 5.927 -5.251 90 HB VAL 15 HB VAL 15 18.859 4.692 -3.118 91 H SER 16 H SER 16 17.285 4.279 -3.847 92 HA SER 16 HA SER 16 14.691 5.435 -4.598 93 1HB SER 16 1HB SER 16 13.913 3.287 -5.161 94 2HB SER 16 2HB SER 16 15.557 3.324 -5.794 95 HG SER 16 HG SER 16 16.193 1.946 -4.261 96 H VAL 17 H VAL 17 12.883 4.101 -3.313 97 HA VAL 17 HA VAL 17 13.252 4.893 -0.592 98 HB VAL 17 HB VAL 17 10.976 4.056 -0.272 99 H ALA 18 H ALA 18 13.860 2.140 -2.435 100 HA ALA 18 HA ALA 18 13.541 0.188 -0.382 101 1HB ALA 18 1HB ALA 18 15.094 0.036 -2.961 102 2HB ALA 18 2HB ALA 18 14.635 -1.328 -1.938 103 3HB ALA 18 3HB ALA 18 13.394 -0.384 -2.763 104 H THR 19 H THR 19 16.095 2.342 -1.480 105 HA THR 19 HA THR 19 18.181 1.018 -0.092 106 HB THR 19 HB THR 19 18.318 3.931 -0.651 107 HG1 THR 19 HG1 THR 19 18.705 2.266 -2.854 108 H VAL 20 H VAL 20 16.217 3.852 0.507 109 HA VAL 20 HA VAL 20 17.293 4.530 2.995 110 HB VAL 20 HB VAL 20 14.635 5.184 1.757 111 H SER 21 H SER 21 14.450 2.495 2.270 112 HA SER 21 HA SER 21 13.582 2.162 4.884 113 1HB SER 21 1HB SER 21 12.795 -0.150 3.925 114 2HB SER 21 2HB SER 21 12.069 1.339 3.321 115 HG SER 21 HG SER 21 13.175 1.152 1.463 116 H ARG 22 H ARG 22 16.243 0.735 3.108 117 HA ARG 22 HA ARG 22 16.776 -1.354 4.942 118 1HB ARG 22 1HB ARG 22 18.283 -0.041 2.796 119 2HB ARG 22 2HB ARG 22 19.241 -0.772 4.046 120 1HG ARG 22 1HG ARG 22 18.936 -2.789 3.219 121 2HG ARG 22 2HG ARG 22 17.191 -2.590 3.288 122 1HD ARG 22 1HD ARG 22 17.249 -1.455 1.111 123 2HD ARG 22 2HD ARG 22 18.993 -1.705 1.039 124 HE ARG 22 HE ARG 22 18.113 -4.207 1.364 125 1HH1 ARG 22 1HH1 ARG 22 17.027 -1.676 -0.779 126 1HH2 ARG 22 1HH2 ARG 22 17.431 -5.666 -0.251 127 2HH1 ARG 22 2HH1 ARG 22 16.532 -2.765 -2.034 128 2HH2 ARG 22 2HH2 ARG 22 16.755 -5.053 -1.727 129 H VAL 23 H VAL 23 18.008 1.923 4.618 130 HA VAL 23 HA VAL 23 19.752 1.800 6.846 131 HB VAL 23 HB VAL 23 18.435 4.233 5.646 132 H VAL 24 H VAL 24 16.444 2.845 6.378 133 HA VAL 24 HA VAL 24 15.825 3.614 8.991 134 HB VAL 24 HB VAL 24 14.272 2.577 6.631 135 H ASN 25 H ASN 25 16.137 0.603 7.380 136 HA ASN 25 HA ASN 25 15.140 -0.959 9.684 137 1HB ASN 25 1HB ASN 25 15.556 -1.493 6.793 138 2HB ASN 25 2HB ASN 25 15.840 -2.839 7.886 139 1HD2 ASN 25 1HD2 ASN 25 13.562 -0.956 6.248 140 1HD2 ASN 25 1HD2 ASN 25 12.131 -1.694 6.906 141 H GLN 26 H GLN 26 17.748 0.526 9.489 142 HA GLN 26 HA GLN 26 19.822 0.291 10.315 143 1HB GLN 26 1HB GLN 26 19.680 -2.557 11.010 144 2HB GLN 26 2HB GLN 26 20.297 -1.206 11.936 145 1HG GLN 26 1HG GLN 26 17.461 -2.079 11.617 146 2HG GLN 26 2HG GLN 26 18.418 -2.070 13.095 147 H ALA 27 H ALA 27 19.846 0.387 7.898 148 HA ALA 27 HA ALA 27 20.335 -0.411 5.801 149 1HB ALA 27 1HB ALA 27 22.837 -0.052 7.399 150 2HB ALA 27 2HB ALA 27 21.886 1.184 6.575 151 3HB ALA 27 3HB ALA 27 22.753 -0.033 5.636 152 H SER 28 H SER 28 22.884 -2.105 7.616 153 HA SER 28 HA SER 28 23.732 -4.156 7.424 154 1HB SER 28 1HB SER 28 20.996 -4.791 6.404 155 2HB SER 28 2HB SER 28 22.207 -6.012 6.775 156 HG SER 28 HG SER 28 21.237 -4.074 8.630 157 H HIS 29 H HIS 29 21.681 -4.534 4.590 158 HA HIS 29 HA HIS 29 24.007 -5.042 3.000 159 1HB HIS 29 1HB HIS 29 21.087 -5.182 2.482 160 2HB HIS 29 2HB HIS 29 22.165 -5.048 1.098 161 HD1 HIS 29 HD1 HIS 29 21.157 -7.514 0.594 162 HD2 HIS 29 HD2 HIS 29 23.751 -7.175 3.824 163 HE1 HIS 29 HE1 HIS 29 21.954 -9.847 1.069 164 HE2 HIS 29 HE2 HIS 29 23.572 -9.615 2.979 165 H VAL 30 H VAL 30 22.254 -2.210 3.656 166 HA VAL 30 HA VAL 30 22.615 -0.842 1.230 167 HB VAL 30 HB VAL 30 21.660 -0.160 3.838 168 H SER 31 H SER 31 24.522 -0.657 4.147 169 HA SER 31 HA SER 31 26.864 -0.996 4.311 170 1HB SER 31 1HB SER 31 27.207 0.476 1.693 171 2HB SER 31 2HB SER 31 28.432 -0.390 2.617 172 HG SER 31 HG SER 31 26.197 -1.535 1.282 173 H ALA 32 H ALA 32 28.493 0.550 4.913 174 HA ALA 32 HA ALA 32 27.507 2.616 6.419 175 1HB ALA 32 1HB ALA 32 29.830 3.377 6.644 176 2HB ALA 32 2HB ALA 32 30.290 2.332 5.299 177 3HB ALA 32 3HB ALA 32 29.683 1.629 6.798 178 H LYS 33 H LYS 33 29.121 3.010 3.229 179 HA LYS 33 HA LYS 33 29.023 5.773 3.144 180 1HB LYS 33 1HB LYS 33 29.906 3.812 1.449 181 2HB LYS 33 2HB LYS 33 28.582 4.537 0.551 182 1HG LYS 33 1HG LYS 33 30.696 5.594 -0.007 183 2HG LYS 33 2HG LYS 33 29.597 6.735 0.773 184 1HD LYS 33 1HD LYS 33 31.183 5.396 2.755 185 2HD LYS 33 2HD LYS 33 32.235 6.088 1.520 186 1HE LYS 33 1HE LYS 33 31.459 8.262 1.910 187 2HE LYS 33 2HE LYS 33 30.021 7.695 2.759 188 1HZ LYS 33 1HZ LYS 33 32.650 7.054 3.883 189 2HZ LYS 33 2HZ LYS 33 32.075 8.635 4.054 190 3HZ LYS 33 3HZ LYS 33 31.177 7.338 4.677 191 H THR 34 H THR 34 26.726 3.523 1.736 192 HA THR 34 HA THR 34 24.914 5.486 0.874 193 HB THR 34 HB THR 34 24.302 2.677 1.642 194 HG1 THR 34 HG1 THR 34 24.566 2.340 -0.690 195 H ARG 35 H ARG 35 25.060 3.563 3.827 196 HA ARG 35 HA ARG 35 22.745 4.387 5.064 197 1HB ARG 35 1HB ARG 35 24.040 2.716 6.154 198 2HB ARG 35 2HB ARG 35 25.471 3.726 6.163 199 1HG ARG 35 1HG ARG 35 23.164 4.746 7.689 200 2HG ARG 35 2HG ARG 35 23.969 3.320 8.323 201 1HD ARG 35 1HD ARG 35 26.072 4.453 8.277 202 2HD ARG 35 2HD ARG 35 25.324 5.854 7.538 203 HE ARG 35 HE ARG 35 23.949 5.879 9.721 204 1HH1 ARG 35 1HH1 ARG 35 27.318 4.935 9.481 205 1HH2 ARG 35 1HH2 ARG 35 24.463 6.585 11.809 206 2HH1 ARG 35 2HH1 ARG 35 27.711 5.496 11.074 207 2HH2 ARG 35 2HH2 ARG 35 26.088 6.430 12.402 208 H GLU 36 H GLU 36 25.864 5.935 4.996 209 HA GLU 36 HA GLU 36 25.167 8.192 6.575 210 1HB GLU 36 1HB GLU 36 27.360 7.702 4.614 211 2HB GLU 36 2HB GLU 36 27.239 9.188 5.519 212 1HG GLU 36 1HG GLU 36 27.352 7.843 7.581 213 2HG GLU 36 2HG GLU 36 27.635 6.427 6.576 214 H LYS 37 H LYS 37 25.202 7.469 3.187 215 HA LYS 37 HA LYS 37 24.688 9.884 1.977 216 1HB LYS 37 1HB LYS 37 25.154 7.765 0.792 217 2HB LYS 37 2HB LYS 37 23.590 7.157 1.299 218 1HG LYS 37 1HG LYS 37 22.680 9.266 0.110 219 2HG LYS 37 2HG LYS 37 24.218 9.201 -0.756 220 1HD LYS 37 1HD LYS 37 22.395 6.820 -0.499 221 2HD LYS 37 2HD LYS 37 22.248 7.986 -1.816 222 1HE LYS 37 1HE LYS 37 24.612 6.243 -1.171 223 2HE LYS 37 2HE LYS 37 23.542 6.109 -2.561 224 1HZ LYS 37 1HZ LYS 37 25.262 8.464 -2.023 225 2HZ LYS 37 2HZ LYS 37 25.688 7.200 -3.058 226 3HZ LYS 37 3HZ LYS 37 24.352 8.172 -3.413 227 H VAL 38 H VAL 38 22.421 7.610 3.265 228 HA VAL 38 HA VAL 38 20.182 9.313 2.612 229 HB VAL 38 HB VAL 38 18.800 7.605 2.724 230 H GLU 39 H GLU 39 21.932 8.313 5.539 231 HA GLU 39 HA GLU 39 20.077 9.268 7.387 232 1HB GLU 39 1HB GLU 39 23.049 8.838 7.438 233 2HB GLU 39 2HB GLU 39 22.186 9.475 8.818 234 1HG GLU 39 1HG GLU 39 20.747 7.239 7.978 235 2HG GLU 39 2HG GLU 39 22.448 6.780 7.928 236 H ALA 40 H ALA 40 22.718 10.741 5.638 237 HA ALA 40 HA ALA 40 22.608 13.247 6.855 238 1HB ALA 40 1HB ALA 40 24.485 12.581 5.457 239 2HB ALA 40 2HB ALA 40 23.435 12.579 4.039 240 3HB ALA 40 3HB ALA 40 23.781 14.091 4.879 241 H ALA 41 H ALA 41 20.921 11.878 4.138 242 HA ALA 41 HA ALA 41 19.515 14.171 3.336 243 1HB ALA 41 1HB ALA 41 18.789 11.256 3.036 244 2HB ALA 41 2HB ALA 41 18.028 12.590 2.173 245 3HB ALA 41 3HB ALA 41 19.729 12.220 1.896 246 H MET 42 H MET 42 18.712 11.484 5.482 247 HA MET 42 HA MET 42 16.147 12.168 6.202 248 1HB MET 42 1HB MET 42 18.360 10.890 7.788 249 2HB MET 42 2HB MET 42 16.720 11.026 8.380 250 1HG MET 42 1HG MET 42 15.935 9.646 6.522 251 2HG MET 42 2HG MET 42 17.600 9.504 5.947 252 1HE MET 42 1HE MET 42 15.813 7.177 6.333 253 2HE MET 42 2HE MET 42 17.469 6.577 6.224 254 3HE MET 42 3HE MET 42 16.416 6.032 7.531 255 H ALA 43 H ALA 43 19.195 13.192 7.408 256 HA ALA 43 HA ALA 43 18.362 14.610 9.681 257 1HB ALA 43 1HB ALA 43 20.607 15.578 9.664 258 2HB ALA 43 2HB ALA 43 20.626 13.833 9.410 259 3HB ALA 43 3HB ALA 43 20.858 14.924 8.045 260 H GLU 44 H GLU 44 19.135 15.823 6.437 261 HA GLU 44 HA GLU 44 18.869 18.524 7.011 262 1HB GLU 44 1HB GLU 44 18.299 17.186 4.417 263 2HB GLU 44 2HB GLU 44 18.746 18.860 4.668 264 1HG GLU 44 1HG GLU 44 20.714 17.305 5.903 265 2HG GLU 44 2HG GLU 44 20.391 16.597 4.334 266 H LEU 45 H LEU 45 16.591 16.271 5.611 267 HA LEU 45 HA LEU 45 14.469 18.152 5.455 268 1HB LEU 45 1HB LEU 45 14.130 15.186 5.376 269 2HB LEU 45 2HB LEU 45 13.271 16.419 4.494 270 HG LEU 45 HG LEU 45 16.156 16.143 3.894 271 H ASN 46 H ASN 46 15.584 15.919 7.838 272 HA ASN 46 HA ASN 46 14.984 15.551 9.993 273 1HB ASN 46 1HB ASN 46 14.307 17.869 10.213 274 2HB ASN 46 2HB ASN 46 12.789 17.508 9.432 275 1HD2 ASN 46 1HD2 ASN 46 14.686 17.085 12.286 276 1HD2 ASN 46 1HD2 ASN 46 13.359 16.710 13.330 277 H TYR 47 H TYR 47 14.700 13.635 8.602 278 HA TYR 47 HA TYR 47 12.084 12.712 7.945 279 1HB TYR 47 1HB TYR 47 13.961 11.917 6.654 280 2HB TYR 47 2HB TYR 47 14.736 11.288 8.101 281 HD1 TYR 47 HD1 TYR 47 14.633 8.998 8.410 282 HD2 TYR 47 HD2 TYR 47 11.429 10.925 6.379 283 HE1 TYR 47 HE1 TYR 47 13.521 6.836 8.117 284 HE2 TYR 47 HE2 TYR 47 10.318 8.751 6.081 285 HH TYR 47 HH TYR 47 10.661 6.486 6.144 286 H ILE 48 H ILE 48 10.684 11.579 9.043 287 HA ILE 48 HA ILE 48 11.522 9.992 11.342 288 HB ILE 48 HB ILE 48 9.221 11.962 11.388 289 HA PRO 49 HA PRO 49 8.919 7.366 8.836 290 1HB PRO 49 1HB PRO 49 9.442 5.048 10.125 291 2HB PRO 49 2HB PRO 49 10.582 5.801 9.004 292 1HG PRO 49 1HG PRO 49 10.618 5.715 11.966 293 2HG PRO 49 2HG PRO 49 11.965 5.756 10.817 294 1HD PRO 49 1HD PRO 49 10.974 7.923 12.284 295 2HD PRO 49 2HD PRO 49 12.061 8.026 10.887 296 H ASN 50 H ASN 50 7.143 5.644 9.302 297 HA ASN 50 HA ASN 50 5.658 6.497 11.665 298 1HB ASN 50 1HB ASN 50 4.882 5.952 8.824 299 2HB ASN 50 2HB ASN 50 3.722 5.557 10.098 300 1HD2 ASN 50 1HD2 ASN 50 3.861 7.613 7.924 301 1HD2 ASN 50 1HD2 ASN 50 3.533 9.104 8.741 302 H ARG 51 H ARG 51 5.356 4.940 13.100 303 HA ARG 51 HA ARG 51 6.527 2.427 12.900 304 1HB ARG 51 1HB ARG 51 5.144 3.918 14.863 305 2HB ARG 51 2HB ARG 51 4.432 2.310 14.818 306 1HG ARG 51 1HG ARG 51 6.195 2.325 16.426 307 2HG ARG 51 2HG ARG 51 6.706 1.358 15.049 308 1HD ARG 51 1HD ARG 51 7.585 3.849 14.389 309 2HD ARG 51 2HD ARG 51 7.801 3.820 16.133 310 HE ARG 51 HE ARG 51 8.861 1.451 15.237 311 1HH1 ARG 51 1HH1 ARG 51 9.441 4.845 14.621 312 1HH2 ARG 51 1HH2 ARG 51 11.074 1.152 14.765 313 2HH1 ARG 51 2HH1 ARG 51 11.128 4.630 14.273 314 2HH2 ARG 51 2HH2 ARG 51 12.052 2.521 14.343 315 H CYS 52 H CYS 52 3.335 3.371 11.864 316 HA CYS 52 HA CYS 52 2.244 0.703 11.946 317 1HB CYS 52 1HB CYS 52 1.059 3.090 11.964 318 2HB CYS 52 2HB CYS 52 1.090 2.831 10.225 319 H ALA 53 H ALA 53 3.125 2.932 9.389 320 HA ALA 53 HA ALA 53 2.927 1.282 7.231 321 1HB ALA 53 1HB ALA 53 3.533 3.707 7.204 322 2HB ALA 53 2HB ALA 53 5.179 3.245 7.635 323 3HB ALA 53 3HB ALA 53 4.486 2.715 6.103 324 H GLN 54 H GLN 54 5.539 1.488 9.566 325 HA GLN 54 HA GLN 54 7.303 -0.348 8.329 326 1HB GLN 54 1HB GLN 54 7.031 0.546 11.193 327 2HB GLN 54 2HB GLN 54 8.396 -0.337 10.531 328 1HG GLN 54 1HG GLN 54 8.601 1.608 8.875 329 2HG GLN 54 2HG GLN 54 7.552 2.473 9.992 330 H GLN 55 H GLN 55 4.865 -0.582 10.868 331 HA GLN 55 HA GLN 55 5.270 -3.288 11.535 332 1HB GLN 55 1HB GLN 55 2.979 -1.399 11.874 333 2HB GLN 55 2HB GLN 55 2.799 -3.084 12.315 334 1HG GLN 55 1HG GLN 55 4.175 -0.910 13.663 335 2HG GLN 55 2HG GLN 55 3.509 -2.405 14.319 336 H LEU 56 H LEU 56 2.951 -1.753 9.357 337 HA LEU 56 HA LEU 56 1.663 -4.064 8.456 338 1HB LEU 56 1HB LEU 56 1.155 -1.543 8.129 339 2HB LEU 56 2HB LEU 56 2.201 -1.675 6.723 340 HG LEU 56 HG LEU 56 0.715 -3.337 5.740 341 H ALA 57 H ALA 57 3.994 -2.163 6.716 342 HA ALA 57 HA ALA 57 4.595 -3.932 4.688 343 1HB ALA 57 1HB ALA 57 5.316 -1.550 4.781 344 2HB ALA 57 2HB ALA 57 6.618 -2.036 5.866 345 3HB ALA 57 3HB ALA 57 6.565 -2.662 4.217 346 H GLY 58 H GLY 58 5.791 -4.000 7.956 347 1HA GLY 58 1HA GLY 58 7.360 -5.350 8.984 348 2HA GLY 58 2HA GLY 58 7.916 -5.848 7.391 349 H LYS 59 H LYS 59 4.558 -6.098 7.942 350 HA LYS 59 HA LYS 59 4.719 -8.847 8.837 351 1HB LYS 59 1HB LYS 59 3.063 -7.146 9.772 352 2HB LYS 59 2HB LYS 59 2.210 -7.335 8.252 353 1HG LYS 59 1HG LYS 59 2.365 -9.883 8.860 354 2HG LYS 59 2HG LYS 59 2.509 -9.244 10.498 355 1HD LYS 59 1HD LYS 59 0.210 -9.626 10.170 356 2HD LYS 59 2HD LYS 59 0.415 -7.885 9.949 357 1HE LYS 59 1HE LYS 59 -1.027 -8.896 8.226 358 2HE LYS 59 2HE LYS 59 0.422 -8.151 7.559 359 1HZ LYS 59 1HZ LYS 59 0.804 -10.924 8.170 360 2HZ LYS 59 2HZ LYS 59 -0.445 -10.676 7.052 361 3HZ LYS 59 3HZ LYS 59 1.106 -10.075 6.736 362 H GLN 60 H GLN 60 5.837 -8.819 6.454 363 HA GLN 60 HA GLN 60 4.150 -9.035 4.227 364 1HB GLN 60 1HB GLN 60 6.842 -10.261 4.670 365 2HB GLN 60 2HB GLN 60 6.047 -10.081 3.133 366 1HG GLN 60 1HG GLN 60 6.791 -8.026 2.895 367 2HG GLN 60 2HG GLN 60 6.220 -7.570 4.496 368 H SER 61 H SER 61 6.081 -11.772 5.231 369 HA SER 61 HA SER 61 3.965 -13.592 4.497 370 1HB SER 61 1HB SER 61 6.189 -14.969 5.591 371 2HB SER 61 2HB SER 61 5.729 -14.826 3.895 372 HG SER 61 HG SER 61 7.418 -13.600 3.647 373 H LEU 62 H LEU 62 4.633 -11.943 7.248 374 HA LEU 62 HA LEU 62 4.309 -14.000 9.213 375 1HB LEU 62 1HB LEU 62 5.481 -11.848 9.636 376 2HB LEU 62 2HB LEU 62 3.946 -11.017 9.505 377 HG LEU 62 HG LEU 62 3.135 -12.367 11.465 378 H1 MET 101 H1 MET 101 -0.348 -16.034 7.561 379 H2 MET 101 H2 MET 101 1.237 -16.613 7.457 380 H3 MET 101 H3 MET 101 0.927 -15.136 8.226 381 HA MET 101 HA MET 101 1.715 -14.447 6.217 382 1HB MET 101 1HB MET 101 1.741 -16.776 5.270 383 2HB MET 101 2HB MET 101 0.048 -16.566 4.846 384 1HG MET 101 1HG MET 101 0.588 -14.783 3.333 385 2HG MET 101 2HG MET 101 2.273 -14.805 3.850 386 1HE MET 101 1HE MET 101 3.140 -14.949 1.409 387 2HE MET 101 2HE MET 101 2.630 -16.161 0.234 388 3HE MET 101 3HE MET 101 1.500 -14.913 0.765 389 H LYS 102 H LYS 102 -1.517 -15.675 5.351 390 HA LYS 102 HA LYS 102 -2.601 -12.986 5.718 391 1HB LYS 102 1HB LYS 102 -1.964 -13.039 3.370 392 2HB LYS 102 2HB LYS 102 -2.827 -14.554 3.144 393 1HG LYS 102 1HG LYS 102 -4.813 -13.006 4.117 394 2HG LYS 102 2HG LYS 102 -3.847 -11.796 3.271 395 1HD LYS 102 1HD LYS 102 -4.129 -12.838 1.210 396 2HD LYS 102 2HD LYS 102 -4.567 -14.380 1.942 397 1HE LYS 102 1HE LYS 102 -6.273 -11.933 2.253 398 2HE LYS 102 2HE LYS 102 -6.428 -12.996 0.858 399 1HZ LYS 102 1HZ LYS 102 -6.722 -13.851 3.691 400 2HZ LYS 102 2HZ LYS 102 -8.010 -13.523 2.637 401 3HZ LYS 102 3HZ LYS 102 -6.962 -14.816 2.319 402 HA PRO 103 HA PRO 103 -5.718 -15.841 7.336 403 1HB PRO 103 1HB PRO 103 -6.627 -13.607 8.908 404 2HB PRO 103 2HB PRO 103 -5.820 -15.067 9.461 405 1HG PRO 103 1HG PRO 103 -4.682 -12.588 9.568 406 2HG PRO 103 2HG PRO 103 -3.748 -14.091 9.438 407 1HD PRO 103 1HD PRO 103 -4.507 -12.138 7.295 408 2HD PRO 103 2HD PRO 103 -2.965 -12.989 7.557 409 H VAL 104 H VAL 104 -8.172 -14.798 8.107 410 HA VAL 104 HA VAL 104 -9.465 -14.313 5.642 411 HB VAL 104 HB VAL 104 -10.618 -13.432 8.250 412 H THR 105 H THR 105 -10.303 -12.365 4.819 413 HA THR 105 HA THR 105 -9.543 -9.920 6.207 414 HB THR 105 HB THR 105 -8.437 -9.035 4.059 415 HG1 THR 105 HG1 THR 105 -8.792 -11.692 3.434 416 H LEU 106 H LEU 106 -9.972 -8.032 4.421 417 HA LEU 106 HA LEU 106 -12.831 -8.162 4.164 418 1HB LEU 106 1HB LEU 106 -12.046 -6.014 2.579 419 2HB LEU 106 2HB LEU 106 -12.654 -5.958 4.219 420 HG LEU 106 HG LEU 106 -10.110 -6.333 4.813 421 H TYR 107 H TYR 107 -10.160 -8.873 2.093 422 HA TYR 107 HA TYR 107 -11.422 -8.630 -0.406 423 1HB TYR 107 1HB TYR 107 -9.149 -10.315 0.628 424 2HB TYR 107 2HB TYR 107 -9.702 -10.431 -1.036 425 HD1 TYR 107 HD1 TYR 107 -9.176 -8.718 -2.636 426 HD2 TYR 107 HD2 TYR 107 -8.054 -8.275 1.437 427 HE1 TYR 107 HE1 TYR 107 -7.676 -6.875 -3.259 428 HE2 TYR 107 HE2 TYR 107 -6.549 -6.426 0.828 429 HH TYR 107 HH TYR 107 -5.285 -5.703 -1.274 430 H ASP 108 H ASP 108 -11.165 -11.178 1.955 431 HA ASP 108 HA ASP 108 -12.346 -13.263 0.483 432 1HB ASP 108 1HB ASP 108 -11.993 -12.754 3.459 433 2HB ASP 108 2HB ASP 108 -12.523 -14.284 2.791 434 H VAL 109 H VAL 109 -13.623 -11.306 3.172 435 HA VAL 109 HA VAL 109 -16.201 -12.364 2.818 436 HB VAL 109 HB VAL 109 -16.660 -11.450 4.751 437 H ALA 110 H ALA 110 -14.557 -9.774 1.267 438 HA ALA 110 HA ALA 110 -16.898 -8.492 0.230 439 1HB ALA 110 1HB ALA 110 -14.101 -8.444 -0.891 440 2HB ALA 110 2HB ALA 110 -15.405 -7.316 -1.265 441 3HB ALA 110 3HB ALA 110 -14.704 -7.350 0.354 442 H GLU 111 H GLU 111 -14.763 -11.045 -0.716 443 HA GLU 111 HA GLU 111 -15.726 -11.398 -3.365 444 1HB GLU 111 1HB GLU 111 -13.753 -12.488 -1.627 445 2HB GLU 111 2HB GLU 111 -14.648 -13.818 -2.326 446 1HG GLU 111 1HG GLU 111 -12.966 -11.747 -3.673 447 2HG GLU 111 2HG GLU 111 -12.944 -13.495 -3.853 448 H TYR 112 H TYR 112 -16.326 -12.800 -0.259 449 HA TYR 112 HA TYR 112 -18.204 -14.784 -0.864 450 1HB TYR 112 1HB TYR 112 -16.900 -13.856 1.312 451 2HB TYR 112 2HB TYR 112 -18.498 -13.227 1.599 452 HD1 TYR 112 HD1 TYR 112 -17.101 -16.516 0.438 453 HD2 TYR 112 HD2 TYR 112 -19.724 -14.425 3.038 454 HE1 TYR 112 HE1 TYR 112 -17.800 -18.652 1.451 455 HE2 TYR 112 HE2 TYR 112 -20.426 -16.521 4.053 456 HH TYR 112 HH TYR 112 -20.429 -18.775 3.820 457 H ALA 113 H ALA 113 -18.636 -11.626 0.492 458 HA ALA 113 HA ALA 113 -21.399 -11.461 0.399 459 1HB ALA 113 1HB ALA 113 -20.111 -9.982 1.770 460 2HB ALA 113 2HB ALA 113 -21.101 -9.026 0.668 461 3HB ALA 113 3HB ALA 113 -19.383 -9.240 0.345 462 H GLY 114 H GLY 114 -19.153 -11.125 -2.170 463 1HA GLY 114 1HA GLY 114 -21.309 -10.760 -4.058 464 2HA GLY 114 2HA GLY 114 -19.605 -10.971 -4.442 465 H VAL 115 H VAL 115 -18.527 -8.930 -2.927 466 HA VAL 115 HA VAL 115 -19.401 -6.570 -4.398 467 HB VAL 115 HB VAL 115 -19.165 -5.163 -2.370 468 H SER 116 H SER 116 -17.619 -4.810 -3.264 469 HA SER 116 HA SER 116 -15.035 -6.037 -3.961 470 1HB SER 116 1HB SER 116 -14.281 -3.931 -4.714 471 2HB SER 116 2HB SER 116 -15.945 -4.008 -5.281 472 HG SER 116 HG SER 116 -16.559 -2.626 -3.695 473 H VAL 117 H VAL 117 -13.196 -4.610 -2.816 474 HA VAL 117 HA VAL 117 -13.522 -5.178 -0.033 475 HB VAL 117 HB VAL 117 -11.246 -4.360 0.204 476 H ALA 118 H ALA 118 -14.146 -2.594 -2.091 477 HA ALA 118 HA ALA 118 -13.807 -0.475 -0.214 478 1HB ALA 118 1HB ALA 118 -15.457 -0.460 -2.732 479 2HB ALA 118 2HB ALA 118 -14.813 0.936 -1.865 480 3HB ALA 118 3HB ALA 118 -13.718 -0.176 -2.686 481 H THR 119 H THR 119 -16.372 -2.712 -1.075 482 HA THR 119 HA THR 119 -18.426 -1.238 0.220 483 HB THR 119 HB THR 119 -18.642 -4.177 -0.078 484 HG1 THR 119 HG1 THR 119 -18.982 -2.781 -2.447 485 H VAL 120 H VAL 120 -16.460 -4.019 1.029 486 HA VAL 120 HA VAL 120 -17.495 -4.476 3.590 487 HB VAL 120 HB VAL 120 -14.861 -5.251 2.366 488 H SER 121 H SER 121 -14.664 -2.524 2.628 489 HA SER 121 HA SER 121 -13.755 -1.978 5.195 490 1HB SER 121 1HB SER 121 -12.968 0.241 4.027 491 2HB SER 121 2HB SER 121 -12.250 -1.300 3.559 492 HG SER 121 HG SER 121 -13.371 -1.290 1.706 493 H ARG 122 H ARG 122 -16.438 -0.697 3.347 494 HA ARG 122 HA ARG 122 -16.949 1.543 4.992 495 1HB ARG 122 1HB ARG 122 -18.479 0.027 3.004 496 2HB ARG 122 2HB ARG 122 -19.429 0.858 4.199 497 1HG ARG 122 1HG ARG 122 -19.141 2.807 3.214 498 2HG ARG 122 2HG ARG 122 -17.393 2.602 3.214 499 1HD ARG 122 1HD ARG 122 -17.572 1.269 1.151 500 2HD ARG 122 2HD ARG 122 -19.314 1.547 1.146 501 HE ARG 122 HE ARG 122 -18.530 4.034 1.136 502 1HH1 ARG 122 1HH1 ARG 122 -17.046 1.366 -0.556 503 1HH2 ARG 122 1HH2 ARG 122 -17.755 5.343 -0.581 504 2HH1 ARG 122 2HH1 ARG 122 -16.483 2.339 -1.875 505 2HH2 ARG 122 2HH2 ARG 122 -16.873 4.611 -1.883 506 H VAL 123 H VAL 123 -18.182 -1.747 5.000 507 HA VAL 123 HA VAL 123 -19.883 -1.413 7.243 508 HB VAL 123 HB VAL 123 -18.613 -3.947 6.223 509 H VAL 124 H VAL 124 -16.591 -2.489 6.798 510 HA VAL 124 HA VAL 124 -15.913 -3.024 9.457 511 HB VAL 124 HB VAL 124 -14.416 -2.197 6.979 512 H ASN 125 H ASN 125 -16.247 -0.162 7.589 513 HA ASN 125 HA ASN 125 -15.226 1.596 9.733 514 1HB ASN 125 1HB ASN 125 -15.694 1.876 6.812 515 2HB ASN 125 2HB ASN 125 -15.952 3.313 7.790 516 1HD2 ASN 125 1HD2 ASN 125 -13.715 1.223 6.334 517 1HD2 ASN 125 1HD2 ASN 125 -12.263 2.028 6.857 518 H GLN 126 H GLN 126 -17.854 0.109 9.700 519 HA GLN 126 HA GLN 126 -19.926 0.440 10.523 520 1HB GLN 126 1HB GLN 126 -19.737 3.350 10.912 521 2HB GLN 126 2HB GLN 126 -20.388 2.117 11.971 522 1HG GLN 126 1HG GLN 126 -17.530 2.883 11.575 523 2HG GLN 126 2HG GLN 126 -18.491 3.054 13.041 524 H ALA 127 H ALA 127 -19.967 0.106 8.121 525 HA ALA 127 HA ALA 127 -20.460 0.734 5.956 526 1HB ALA 127 1HB ALA 127 -22.908 0.362 7.618 527 2HB ALA 127 2HB ALA 127 -22.889 0.286 5.856 528 3HB ALA 127 3HB ALA 127 -21.937 -0.862 6.802 529 H SER 128 H SER 128 -23.003 2.507 7.715 530 HA SER 128 HA SER 128 -23.939 4.502 7.364 531 1HB SER 128 1HB SER 128 -21.326 5.199 6.097 532 2HB SER 128 2HB SER 128 -22.526 6.355 6.656 533 HG SER 128 HG SER 128 -21.509 4.421 8.432 534 H HIS 129 H HIS 129 -21.964 4.655 4.457 535 HA HIS 129 HA HIS 129 -24.304 5.029 2.856 536 1HB HIS 129 1HB HIS 129 -21.384 5.142 2.328 537 2HB HIS 129 2HB HIS 129 -22.457 4.904 0.955 538 HD1 HIS 129 HD1 HIS 129 -21.453 7.339 0.276 539 HD2 HIS 129 HD2 HIS 129 -24.039 7.220 3.530 540 HE1 HIS 129 HE1 HIS 129 -22.265 9.698 0.583 541 HE2 HIS 129 HE2 HIS 129 -23.743 9.621 2.621 542 H VAL 130 H VAL 130 -22.454 2.288 3.668 543 HA VAL 130 HA VAL 130 -22.862 0.721 1.391 544 HB VAL 130 HB VAL 130 -21.879 0.267 4.033 545 H SER 131 H SER 131 -24.763 0.784 4.323 546 HA SER 131 HA SER 131 -27.111 1.172 4.422 547 1HB SER 131 1HB SER 131 -27.466 -0.623 2.011 548 2HB SER 131 2HB SER 131 -28.678 0.374 2.815 549 HG SER 131 HG SER 131 -26.446 1.284 1.311 550 H ALA 132 H ALA 132 -28.687 -0.273 5.301 551 HA ALA 132 HA ALA 132 -27.624 -2.148 6.998 552 1HB ALA 132 1HB ALA 132 -30.453 -1.960 5.981 553 2HB ALA 132 2HB ALA 132 -29.944 -2.885 7.392 554 3HB ALA 132 3HB ALA 132 -29.773 -1.132 7.379 555 H LYS 133 H LYS 133 -29.336 -2.872 3.928 556 HA LYS 133 HA LYS 133 -29.269 -5.626 4.121 557 1HB LYS 133 1HB LYS 133 -30.267 -3.910 2.310 558 2HB LYS 133 2HB LYS 133 -28.872 -4.512 1.432 559 1HG LYS 133 1HG LYS 133 -30.865 -5.801 0.907 560 2HG LYS 133 2HG LYS 133 -29.648 -6.799 1.706 561 1HD LYS 133 1HD LYS 133 -31.452 -5.546 3.608 562 2HD LYS 133 2HD LYS 133 -32.303 -6.545 2.437 563 1HE LYS 133 1HE LYS 133 -31.188 -8.474 3.066 564 2HE LYS 133 2HE LYS 133 -29.875 -7.573 3.803 565 1HZ LYS 133 1HZ LYS 133 -32.548 -7.281 4.944 566 2HZ LYS 133 2HZ LYS 133 -31.708 -8.719 5.247 567 3HZ LYS 133 3HZ LYS 133 -31.037 -7.235 5.714 568 H THR 134 H THR 134 -26.982 -3.572 2.423 569 HA THR 134 HA THR 134 -25.214 -5.646 1.742 570 HB THR 134 HB THR 134 -24.583 -2.756 2.103 571 HG1 THR 134 HG1 THR 134 -25.043 -2.608 -0.133 572 H ARG 135 H ARG 135 -25.262 -3.417 4.466 573 HA ARG 135 HA ARG 135 -22.915 -4.101 5.708 574 1HB ARG 135 1HB ARG 135 -24.175 -2.333 6.647 575 2HB ARG 135 2HB ARG 135 -25.608 -3.329 6.805 576 1HG ARG 135 1HG ARG 135 -23.240 -4.159 8.352 577 2HG ARG 135 2HG ARG 135 -24.067 -2.702 8.867 578 1HD ARG 135 1HD ARG 135 -26.125 -3.880 9.038 579 2HD ARG 135 2HD ARG 135 -25.394 -5.325 8.370 580 HE ARG 135 HE ARG 135 -23.891 -5.098 10.489 581 1HH1 ARG 135 1HH1 ARG 135 -27.336 -4.472 10.291 582 1HH2 ARG 135 1HH2 ARG 135 -24.281 -5.668 12.643 583 2HH1 ARG 135 2HH1 ARG 135 -27.632 -4.917 11.941 584 2HH2 ARG 135 2HH2 ARG 135 -25.896 -5.593 13.282 585 H GLU 136 H GLU 136 -26.007 -5.688 5.834 586 HA GLU 136 HA GLU 136 -25.235 -7.746 7.645 587 1HB GLU 136 1HB GLU 136 -27.537 -7.493 5.762 588 2HB GLU 136 2HB GLU 136 -27.337 -8.870 6.809 589 1HG GLU 136 1HG GLU 136 -27.429 -7.386 8.727 590 2HG GLU 136 2HG GLU 136 -27.675 -6.028 7.640 591 H LYS 137 H LYS 137 -25.398 -7.362 4.204 592 HA LYS 137 HA LYS 137 -24.921 -9.884 3.218 593 1HB LYS 137 1HB LYS 137 -25.412 -7.896 1.842 594 2HB LYS 137 2HB LYS 137 -23.838 -7.241 2.243 595 1HG LYS 137 1HG LYS 137 -22.961 -9.464 1.249 596 2HG LYS 137 2HG LYS 137 -24.524 -9.476 0.425 597 1HD LYS 137 1HD LYS 137 -22.699 -7.082 0.397 598 2HD LYS 137 2HD LYS 137 -22.570 -8.373 -0.800 599 1HE LYS 137 1HE LYS 137 -24.903 -6.552 -0.293 600 2HE LYS 137 2HE LYS 137 -23.909 -6.645 -1.740 601 1HZ LYS 137 1HZ LYS 137 -24.764 -8.893 -2.111 602 2HZ LYS 137 2HZ LYS 137 -25.769 -8.740 -0.759 603 3HZ LYS 137 3HZ LYS 137 -26.002 -7.744 -2.102 604 H VAL 138 H VAL 138 -22.629 -7.508 4.232 605 HA VAL 138 HA VAL 138 -20.398 -9.258 3.693 606 HB VAL 138 HB VAL 138 -19.019 -7.547 3.638 607 H GLU 139 H GLU 139 -22.115 -8.015 6.543 608 HA GLU 139 HA GLU 139 -20.239 -8.819 8.434 609 1HB GLU 139 1HB GLU 139 -23.198 -8.359 8.463 610 2HB GLU 139 2HB GLU 139 -22.356 -8.932 9.886 611 1HG GLU 139 1HG GLU 139 -20.903 -6.754 8.843 612 2HG GLU 139 2HG GLU 139 -22.604 -6.300 8.918 613 H ALA 140 H ALA 140 -22.903 -10.440 6.844 614 HA ALA 140 HA ALA 140 -22.770 -12.834 8.277 615 1HB ALA 140 1HB ALA 140 -23.614 -12.430 5.409 616 2HB ALA 140 2HB ALA 140 -24.659 -12.276 6.822 617 3HB ALA 140 3HB ALA 140 -23.969 -13.844 6.400 618 H ALA 141 H ALA 141 -21.115 -11.701 5.423 619 HA ALA 141 HA ALA 141 -19.709 -14.042 4.807 620 1HB ALA 141 1HB ALA 141 -19.944 -12.220 3.207 621 2HB ALA 141 2HB ALA 141 -18.238 -12.568 3.496 622 3HB ALA 141 3HB ALA 141 -18.992 -11.165 4.252 623 H MET 142 H MET 142 -18.882 -11.180 6.691 624 HA MET 142 HA MET 142 -16.309 -11.783 7.436 625 1HB MET 142 1HB MET 142 -18.521 -10.390 8.918 626 2HB MET 142 2HB MET 142 -16.887 -10.466 9.525 627 1HG MET 142 1HG MET 142 -16.102 -9.223 7.578 628 2HG MET 142 2HG MET 142 -17.759 -9.162 6.964 629 1HE MET 142 1HE MET 142 -15.972 -6.801 7.205 630 2HE MET 142 2HE MET 142 -17.618 -6.200 6.996 631 3HE MET 142 3HE MET 142 -16.601 -5.554 8.285 632 H ALA 143 H ALA 143 -19.317 -12.665 8.821 633 HA ALA 143 HA ALA 143 -18.467 -13.873 11.196 634 1HB ALA 143 1HB ALA 143 -20.715 -14.802 11.311 635 2HB ALA 143 2HB ALA 143 -20.982 -14.355 9.626 636 3HB ALA 143 3HB ALA 143 -20.734 -13.103 10.846 637 H GLU 144 H GLU 144 -19.314 -15.381 8.099 638 HA GLU 144 HA GLU 144 -19.058 -18.022 8.911 639 1HB GLU 144 1HB GLU 144 -18.555 -16.904 6.200 640 2HB GLU 144 2HB GLU 144 -18.967 -18.562 6.584 641 1HG GLU 144 1HG GLU 144 -20.962 -17.039 7.753 642 2HG GLU 144 2HG GLU 144 -20.642 -16.286 6.200 643 H LEU 145 H LEU 145 -16.793 -15.906 7.323 644 HA LEU 145 HA LEU 145 -14.686 -17.824 7.279 645 1HB LEU 145 1HB LEU 145 -14.329 -14.881 6.920 646 2HB LEU 145 2HB LEU 145 -13.488 -16.200 6.147 647 HG LEU 145 HG LEU 145 -16.383 -15.931 5.574 648 H ASN 146 H ASN 146 -15.741 -15.388 9.472 649 HA ASN 146 HA ASN 146 -15.089 -14.811 11.566 650 1HB ASN 146 1HB ASN 146 -14.362 -17.083 12.009 651 2HB ASN 146 2HB ASN 146 -12.874 -16.778 11.148 652 1HD2 ASN 146 1HD2 ASN 146 -14.702 -16.065 13.983 653 1HD2 ASN 146 1HD2 ASN 146 -13.361 -15.557 14.942 654 H TYR 147 H TYR 147 -14.876 -13.024 10.046 655 HA TYR 147 HA TYR 147 -12.296 -12.145 9.206 656 1HB TYR 147 1HB TYR 147 -14.280 -11.492 7.947 657 2HB TYR 147 2HB TYR 147 -14.937 -10.697 9.370 658 HD1 TYR 147 HD1 TYR 147 -14.819 -8.399 9.368 659 HD2 TYR 147 HD2 TYR 147 -11.691 -10.587 7.490 660 HE1 TYR 147 HE1 TYR 147 -13.688 -6.302 8.814 661 HE2 TYR 147 HE2 TYR 147 -10.563 -8.476 6.922 662 HH TYR 147 HH TYR 147 -10.814 -6.233 6.793 663 H ILE 148 H ILE 148 -10.865 -10.917 10.186 664 HA ILE 148 HA ILE 148 -11.659 -9.144 12.364 665 HB ILE 148 HB ILE 148 -9.297 -11.037 12.496 666 HA PRO 149 HA PRO 149 -9.115 -6.735 9.590 667 1HB PRO 149 1HB PRO 149 -9.643 -4.314 10.670 668 2HB PRO 149 2HB PRO 149 -10.798 -5.172 9.642 669 1HG PRO 149 1HG PRO 149 -10.781 -4.796 12.578 670 2HG PRO 149 2HG PRO 149 -12.148 -4.996 11.473 671 1HD PRO 149 1HD PRO 149 -11.021 -6.972 13.138 672 2HD PRO 149 2HD PRO 149 -12.191 -7.242 11.837 673 H ASN 150 H ASN 150 -7.318 -4.998 9.889 674 HA ASN 150 HA ASN 150 -5.825 -5.666 12.307 675 1HB ASN 150 1HB ASN 150 -5.080 -5.346 9.425 676 2HB ASN 150 2HB ASN 150 -3.912 -4.817 10.641 677 1HD2 ASN 150 1HD2 ASN 150 -4.064 -7.060 8.658 678 1HD2 ASN 150 1HD2 ASN 150 -3.687 -8.472 9.599 679 H ARG 151 H ARG 151 -5.472 -4.031 13.626 680 HA ARG 151 HA ARG 151 -6.645 -1.530 13.336 681 1HB ARG 151 1HB ARG 151 -5.142 -2.895 15.309 682 2HB ARG 151 2HB ARG 151 -4.435 -1.298 15.110 683 1HG ARG 151 1HG ARG 151 -6.099 -1.216 16.834 684 2HG ARG 151 2HG ARG 151 -6.676 -0.307 15.446 685 1HD ARG 151 1HD ARG 151 -7.657 -2.742 14.889 686 2HD ARG 151 2HD ARG 151 -7.685 -2.781 16.642 687 HE ARG 151 HE ARG 151 -8.850 -0.430 16.161 688 1HH1 ARG 151 1HH1 ARG 151 -9.380 -3.565 14.712 689 1HH2 ARG 151 1HH2 ARG 151 -11.077 -0.053 15.762 690 2HH1 ARG 151 2HH1 ARG 151 -11.061 -3.275 14.392 691 2HH2 ARG 151 2HH2 ARG 151 -12.023 -1.286 14.989 692 H CYS 152 H CYS 152 -3.472 -2.566 12.294 693 HA CYS 152 HA CYS 152 -2.411 0.104 12.095 694 1HB CYS 152 1HB CYS 152 -1.233 -2.308 12.278 695 2HB CYS 152 2HB CYS 152 -1.225 -2.091 10.533 696 H ALA 153 H ALA 153 -3.267 -2.359 9.729 697 HA ALA 153 HA ALA 153 -3.070 -0.864 7.459 698 1HB ALA 153 1HB ALA 153 -5.276 -2.854 7.968 699 2HB ALA 153 2HB ALA 153 -4.611 -2.383 6.405 700 3HB ALA 153 3HB ALA 153 -3.621 -3.288 7.548 701 H GLN 154 H GLN 154 -5.706 -0.948 9.767 702 HA GLN 154 HA GLN 154 -7.506 0.720 8.372 703 1HB GLN 154 1HB GLN 154 -7.177 0.108 11.301 704 2HB GLN 154 2HB GLN 154 -8.539 0.970 10.610 705 1HG GLN 154 1HG GLN 154 -8.826 -1.091 9.115 706 2HG GLN 154 2HG GLN 154 -7.789 -1.892 10.287 707 H GLN 155 H GLN 155 -5.148 1.289 10.936 708 HA GLN 155 HA GLN 155 -5.559 4.043 11.243 709 1HB GLN 155 1HB GLN 155 -3.293 2.195 11.852 710 2HB GLN 155 2HB GLN 155 -3.087 3.920 12.074 711 1HG GLN 155 1HG GLN 155 -4.555 1.966 13.663 712 2HG GLN 155 2HG GLN 155 -3.834 3.505 14.139 713 H LEU 156 H LEU 156 -3.101 2.326 9.335 714 HA LEU 156 HA LEU 156 -1.825 4.528 8.217 715 1HB LEU 156 1HB LEU 156 -1.294 1.998 8.194 716 2HB LEU 156 2HB LEU 156 -2.311 1.945 6.764 717 HG LEU 156 HG LEU 156 -0.801 3.389 5.563 718 H ALA 157 H ALA 157 -4.108 2.446 6.605 719 HA ALA 157 HA ALA 157 -4.689 4.024 4.417 720 1HB ALA 157 1HB ALA 157 -6.700 2.208 5.742 721 2HB ALA 157 2HB ALA 157 -6.674 2.717 4.054 722 3HB ALA 157 3HB ALA 157 -5.404 1.666 4.678 723 H GLY 158 H GLY 158 -5.919 4.392 7.642 724 1HA GLY 158 1HA GLY 158 -7.525 5.805 8.519 725 2HA GLY 158 2HA GLY 158 -8.059 6.157 6.882 726 H LYS 159 H LYS 159 -4.726 6.507 7.292 727 HA LYS 159 HA LYS 159 -4.911 9.313 8.008 728 1HB LYS 159 1HB LYS 159 -3.268 7.693 9.089 729 2HB LYS 159 2HB LYS 159 -2.398 7.757 7.568 730 1HG LYS 159 1HG LYS 159 -2.558 10.347 7.975 731 2HG LYS 159 2HG LYS 159 -2.711 9.838 9.658 732 1HD LYS 159 1HD LYS 159 -0.417 10.178 9.334 733 2HD LYS 159 2HD LYS 159 -0.622 8.429 9.207 734 1HE LYS 159 1HE LYS 159 0.842 9.378 7.445 735 2HE LYS 159 2HE LYS 159 -0.575 8.539 6.818 736 1HZ LYS 159 1HZ LYS 159 -0.984 11.366 7.240 737 2HZ LYS 159 2HZ LYS 159 0.184 11.003 6.065 738 3HZ LYS 159 3HZ LYS 159 -1.386 10.389 5.917 739 H GLN 160 H GLN 160 -6.018 8.992 5.605 740 HA GLN 160 HA GLN 160 -4.342 9.025 3.380 741 1HB GLN 160 1HB GLN 160 -6.985 10.393 3.619 742 2HB GLN 160 2HB GLN 160 -6.225 9.819 2.156 743 1HG GLN 160 1HG GLN 160 -7.279 7.894 2.368 744 2HG GLN 160 2HG GLN 160 -6.457 7.619 3.903 745 H SER 161 H SER 161 -6.216 11.818 4.405 746 HA SER 161 HA SER 161 -4.133 13.571 3.379 747 1HB SER 161 1HB SER 161 -6.373 15.020 4.392 748 2HB SER 161 2HB SER 161 -5.867 14.813 2.718 749 HG SER 161 HG SER 161 -7.742 13.823 2.623 750 H LEU 162 H LEU 162 -4.956 12.215 6.291 751 HA LEU 162 HA LEU 162 -4.600 14.401 8.055 752 1HB LEU 162 1HB LEU 162 -5.704 12.227 8.617 753 2HB LEU 162 2HB LEU 162 -4.121 11.475 8.616 754 HG LEU 162 HG LEU 162 -3.452 13.050 10.448 No H/Q in entry = 754 Start of MODEL 12 1 H1 MET 1 H1 MET 1 -1.936 14.193 2.611 2 H2 MET 1 H2 MET 1 -2.425 14.396 4.223 3 H3 MET 1 H3 MET 1 -2.780 15.584 3.070 4 HA MET 1 HA MET 1 -0.471 16.101 2.786 5 1HB MET 1 1HB MET 1 -1.560 17.398 4.471 6 2HB MET 1 2HB MET 1 -1.497 16.074 5.624 7 1HG MET 1 1HG MET 1 0.118 17.756 6.213 8 2HG MET 1 2HG MET 1 0.941 16.282 5.718 9 1HE MET 1 1HE MET 1 2.580 18.799 6.026 10 2HE MET 1 2HE MET 1 3.291 17.377 5.265 11 3HE MET 1 3HE MET 1 3.465 18.961 4.510 12 H LYS 2 H LYS 2 1.603 15.433 2.841 13 HA LYS 2 HA LYS 2 2.240 13.141 4.557 14 1HB LYS 2 1HB LYS 2 3.628 12.181 2.815 15 2HB LYS 2 2HB LYS 2 1.984 12.382 2.234 16 1HG LYS 2 1HG LYS 2 2.564 14.055 0.762 17 2HG LYS 2 2HG LYS 2 4.012 14.495 1.669 18 1HD LYS 2 1HD LYS 2 3.677 11.898 0.175 19 2HD LYS 2 2HD LYS 2 4.454 13.326 -0.502 20 1HE LYS 2 1HE LYS 2 5.349 11.822 1.958 21 2HE LYS 2 2HE LYS 2 6.101 11.746 0.369 22 1HZ LYS 2 1HZ LYS 2 6.231 14.330 0.743 23 2HZ LYS 2 2HZ LYS 2 6.201 13.877 2.371 24 3HZ LYS 2 3HZ LYS 2 7.418 13.291 1.350 25 HA PRO 3 HA PRO 3 5.446 16.015 5.833 26 1HB PRO 3 1HB PRO 3 6.274 13.912 7.658 27 2HB PRO 3 2HB PRO 3 5.577 15.483 8.032 28 1HG PRO 3 1HG PRO 3 4.245 13.161 8.439 29 2HG PRO 3 2HG PRO 3 3.426 14.682 8.032 30 1HD PRO 3 1HD PRO 3 4.103 12.362 6.265 31 2HD PRO 3 2HD PRO 3 2.625 13.347 6.325 32 H VAL 4 H VAL 4 7.872 15.041 6.834 33 HA VAL 4 HA VAL 4 9.274 14.371 4.477 34 HB VAL 4 HB VAL 4 10.319 13.698 7.193 35 H THR 5 H THR 5 10.108 12.393 3.822 36 HA THR 5 HA THR 5 9.296 10.036 5.324 37 HB THR 5 HB THR 5 8.253 9.057 3.179 38 HG1 THR 5 HG1 THR 5 8.476 11.780 2.573 39 H LEU 6 H LEU 6 9.778 8.061 3.653 40 HA LEU 6 HA LEU 6 12.633 8.236 3.387 41 1HB LEU 6 1HB LEU 6 11.893 5.977 1.951 42 2HB LEU 6 2HB LEU 6 12.503 6.032 3.590 43 HG LEU 6 HG LEU 6 9.964 6.380 4.170 44 H TYR 7 H TYR 7 9.939 8.797 1.318 45 HA TYR 7 HA TYR 7 11.178 8.402 -1.182 46 1HB TYR 7 1HB TYR 7 8.846 10.042 -0.206 47 2HB TYR 7 2HB TYR 7 9.388 10.137 -1.875 48 HD1 TYR 7 HD1 TYR 7 7.807 8.018 0.652 49 HD2 TYR 7 HD2 TYR 7 8.994 8.329 -3.416 50 HE1 TYR 7 HE1 TYR 7 6.406 6.076 0.102 51 HE2 TYR 7 HE2 TYR 7 7.603 6.382 -3.981 52 HH TYR 7 HH TYR 7 5.217 5.220 -2.083 53 H ASP 8 H ASP 8 10.838 11.106 1.003 54 HA ASP 8 HA ASP 8 11.973 13.084 -0.622 55 1HB ASP 8 1HB ASP 8 11.600 12.812 2.382 56 2HB ASP 8 2HB ASP 8 12.098 14.301 1.594 57 H VAL 9 H VAL 9 13.307 11.381 2.211 58 HA VAL 9 HA VAL 9 15.864 12.425 1.742 59 HB VAL 9 HB VAL 9 16.392 11.627 3.703 60 H ALA 10 H ALA 10 14.235 9.729 0.355 61 HA ALA 10 HA ALA 10 16.570 8.400 -0.638 62 1HB ALA 10 1HB ALA 10 13.753 8.298 -1.705 63 2HB ALA 10 2HB ALA 10 15.057 7.175 -2.090 64 3HB ALA 10 3HB ALA 10 14.404 7.243 -0.451 65 H GLU 11 H GLU 11 14.440 10.919 -1.685 66 HA GLU 11 HA GLU 11 15.394 11.144 -4.357 67 1HB GLU 11 1HB GLU 11 13.390 12.272 -2.702 68 2HB GLU 11 2HB GLU 11 14.328 13.610 -3.322 69 1HG GLU 11 1HG GLU 11 13.363 11.481 -5.178 70 2HG GLU 11 2HG GLU 11 12.271 12.742 -4.633 71 H TYR 12 H TYR 12 15.977 12.737 -1.328 72 HA TYR 12 HA TYR 12 17.863 14.665 -2.040 73 1HB TYR 12 1HB TYR 12 16.614 13.808 0.203 74 2HB TYR 12 2HB TYR 12 18.225 13.205 0.472 75 HD1 TYR 12 HD1 TYR 12 16.649 16.404 -0.675 76 HD2 TYR 12 HD2 TYR 12 19.597 14.488 1.709 77 HE1 TYR 12 HE1 TYR 12 17.344 18.585 0.221 78 HE2 TYR 12 HE2 TYR 12 20.291 16.637 2.607 79 HH TYR 12 HH TYR 12 20.109 18.850 2.442 80 H ALA 13 H ALA 13 18.225 11.505 -0.699 81 HA ALA 13 HA ALA 13 21.016 11.300 -0.913 82 1HB ALA 13 1HB ALA 13 18.904 9.188 -0.598 83 2HB ALA 13 2HB ALA 13 19.871 9.947 0.662 84 3HB ALA 13 3HB ALA 13 20.635 8.866 -0.502 85 H GLY 14 H GLY 14 18.515 10.928 -3.251 86 1HA GLY 14 1HA GLY 14 20.522 10.077 -5.218 87 2HA GLY 14 2HA GLY 14 19.055 10.978 -5.571 88 H VAL 15 H VAL 15 19.908 8.042 -3.895 89 HA VAL 15 HA VAL 15 18.942 6.060 -5.316 90 HB VAL 15 HB VAL 15 18.860 4.782 -3.288 91 H SER 16 H SER 16 17.252 4.522 -4.022 92 HA SER 16 HA SER 16 14.627 5.727 -4.607 93 1HB SER 16 1HB SER 16 13.820 3.587 -5.201 94 2HB SER 16 2HB SER 16 15.438 3.649 -5.894 95 HG SER 16 HG SER 16 16.134 2.221 -4.452 96 H VAL 17 H VAL 17 12.895 4.178 -3.329 97 HA VAL 17 HA VAL 17 13.273 4.982 -0.600 98 HB VAL 17 HB VAL 17 11.007 4.135 -0.277 99 H ALA 18 H ALA 18 13.830 2.237 -2.502 100 HA ALA 18 HA ALA 18 13.563 0.272 -0.460 101 1HB ALA 18 1HB ALA 18 15.011 0.225 -3.099 102 2HB ALA 18 2HB ALA 18 14.794 -1.176 -2.050 103 3HB ALA 18 3HB ALA 18 13.392 -0.386 -2.769 104 H THR 19 H THR 19 16.121 2.391 -1.665 105 HA THR 19 HA THR 19 18.236 1.080 -0.328 106 HB THR 19 HB THR 19 18.441 3.979 -0.813 107 HG1 THR 19 HG1 THR 19 18.486 2.368 -3.104 108 H VAL 20 H VAL 20 16.338 3.948 0.351 109 HA VAL 20 HA VAL 20 17.438 4.543 2.853 110 HB VAL 20 HB VAL 20 14.740 5.204 1.691 111 H SER 21 H SER 21 14.689 2.528 1.967 112 HA SER 21 HA SER 21 13.709 1.967 4.493 113 1HB SER 21 1HB SER 21 12.546 1.323 2.420 114 2HB SER 21 2HB SER 21 13.814 0.149 2.067 115 HG SER 21 HG SER 21 12.030 0.138 4.276 116 H ARG 22 H ARG 22 16.450 0.606 2.680 117 HA ARG 22 HA ARG 22 17.018 -1.506 4.425 118 1HB ARG 22 1HB ARG 22 18.967 0.194 2.901 119 2HB ARG 22 2HB ARG 22 19.292 -1.383 3.577 120 1HG ARG 22 1HG ARG 22 17.357 -0.790 1.366 121 2HG ARG 22 2HG ARG 22 18.962 -1.501 1.202 122 1HD ARG 22 1HD ARG 22 18.193 -3.365 2.685 123 2HD ARG 22 2HD ARG 22 16.567 -2.692 2.585 124 HE ARG 22 HE ARG 22 17.449 -3.022 -0.015 125 1HH1 ARG 22 1HH1 ARG 22 16.754 -5.028 2.762 126 1HH2 ARG 22 1HH2 ARG 22 16.955 -4.879 -1.276 127 2HH1 ARG 22 2HH1 ARG 22 16.393 -6.440 1.819 128 2HH2 ARG 22 2HH2 ARG 22 16.508 -6.353 -0.477 129 H VAL 23 H VAL 23 18.086 1.832 4.394 130 HA VAL 23 HA VAL 23 19.797 1.593 6.666 131 HB VAL 23 HB VAL 23 18.557 4.097 5.536 132 H VAL 24 H VAL 24 16.519 2.723 6.127 133 HA VAL 24 HA VAL 24 15.861 3.428 8.747 134 HB VAL 24 HB VAL 24 14.367 2.529 6.302 135 H ASN 25 H ASN 25 16.161 0.451 7.073 136 HA ASN 25 HA ASN 25 15.074 -1.156 9.288 137 1HB ASN 25 1HB ASN 25 15.650 -1.629 6.408 138 2HB ASN 25 2HB ASN 25 15.871 -2.997 7.487 139 1HD2 ASN 25 1HD2 ASN 25 13.706 -1.146 5.702 140 1HD2 ASN 25 1HD2 ASN 25 12.229 -1.872 6.267 141 H GLN 26 H GLN 26 17.685 0.334 9.339 142 HA GLN 26 HA GLN 26 19.683 0.037 10.345 143 1HB GLN 26 1HB GLN 26 19.543 -2.868 10.739 144 2HB GLN 26 2HB GLN 26 20.048 -1.614 11.849 145 1HG GLN 26 1HG GLN 26 17.267 -2.499 11.214 146 2HG GLN 26 2HG GLN 26 18.112 -2.661 12.750 147 H ALA 27 H ALA 27 19.782 0.318 7.911 148 HA ALA 27 HA ALA 27 20.376 -0.348 5.785 149 1HB ALA 27 1HB ALA 27 22.848 -0.151 7.466 150 2HB ALA 27 2HB ALA 27 21.941 1.169 6.733 151 3HB ALA 27 3HB ALA 27 22.796 0.011 5.712 152 H SER 28 H SER 28 23.030 -2.077 7.288 153 HA SER 28 HA SER 28 23.832 -4.167 7.023 154 1HB SER 28 1HB SER 28 20.986 -4.817 6.384 155 2HB SER 28 2HB SER 28 22.237 -6.025 6.632 156 HG SER 28 HG SER 28 21.501 -4.055 8.552 157 H HIS 29 H HIS 29 21.367 -4.474 4.540 158 HA HIS 29 HA HIS 29 23.395 -4.997 2.572 159 1HB HIS 29 1HB HIS 29 20.398 -5.064 2.500 160 2HB HIS 29 2HB HIS 29 21.329 -5.137 1.007 161 HD1 HIS 29 HD1 HIS 29 20.426 -7.616 0.678 162 HD2 HIS 29 HD2 HIS 29 22.854 -7.016 4.000 163 HE1 HIS 29 HE1 HIS 29 21.150 -9.906 1.417 164 HE2 HIS 29 HE2 HIS 29 22.468 -9.524 3.527 165 H VAL 30 H VAL 30 23.446 -2.367 3.628 166 HA VAL 30 HA VAL 30 23.199 -0.822 1.177 167 HB VAL 30 HB VAL 30 22.026 -0.220 3.789 168 H SER 31 H SER 31 25.112 0.038 0.562 169 HA SER 31 HA SER 31 27.502 -0.506 1.836 170 1HB SER 31 1HB SER 31 27.914 1.819 0.312 171 2HB SER 31 2HB SER 31 28.112 0.150 -0.231 172 HG SER 31 HG SER 31 26.620 0.849 -1.608 173 H ALA 32 H ALA 32 28.893 0.723 3.124 174 HA ALA 32 HA ALA 32 27.846 2.195 5.193 175 1HB ALA 32 1HB ALA 32 30.644 2.436 4.098 176 2HB ALA 32 2HB ALA 32 30.082 1.178 5.197 177 3HB ALA 32 3HB ALA 32 30.113 2.862 5.723 178 H LYS 33 H LYS 33 29.333 3.449 2.214 179 HA LYS 33 HA LYS 33 29.080 6.156 2.817 180 1HB LYS 33 1HB LYS 33 30.396 5.091 0.931 181 2HB LYS 33 2HB LYS 33 28.876 5.022 0.062 182 1HG LYS 33 1HG LYS 33 30.183 6.961 -0.603 183 2HG LYS 33 2HG LYS 33 28.673 7.445 0.170 184 1HD LYS 33 1HD LYS 33 30.809 7.147 2.099 185 2HD LYS 33 2HD LYS 33 31.241 8.293 0.830 186 1HE LYS 33 1HE LYS 33 29.373 9.663 1.294 187 2HE LYS 33 2HE LYS 33 28.605 8.415 2.275 188 1HZ LYS 33 1HZ LYS 33 31.150 9.755 2.995 189 2HZ LYS 33 2HZ LYS 33 29.635 10.231 3.569 190 3HZ LYS 33 3HZ LYS 33 30.239 8.698 3.963 191 H THR 34 H THR 34 26.828 3.957 1.262 192 HA THR 34 HA THR 34 24.865 5.867 0.632 193 HB THR 34 HB THR 34 24.454 2.975 1.163 194 HG1 THR 34 HG1 THR 34 25.412 2.616 -0.689 195 H ARG 35 H ARG 35 25.279 3.734 3.397 196 HA ARG 35 HA ARG 35 23.018 4.329 4.821 197 1HB ARG 35 1HB ARG 35 24.498 2.663 5.663 198 2HB ARG 35 2HB ARG 35 25.840 3.792 5.749 199 1HG ARG 35 1HG ARG 35 23.425 4.286 7.424 200 2HG ARG 35 2HG ARG 35 24.574 3.052 7.904 201 1HD ARG 35 1HD ARG 35 26.325 4.627 8.029 202 2HD ARG 35 2HD ARG 35 25.346 5.861 7.267 203 HE ARG 35 HE ARG 35 23.909 5.718 9.326 204 1HH1 ARG 35 1HH1 ARG 35 27.328 4.937 9.439 205 1HH2 ARG 35 1HH2 ARG 35 24.121 6.308 11.473 206 2HH1 ARG 35 2HH1 ARG 35 27.490 5.380 11.104 207 2HH2 ARG 35 2HH2 ARG 35 25.658 6.163 12.277 208 H GLU 36 H GLU 36 26.009 6.126 4.649 209 HA GLU 36 HA GLU 36 25.217 8.183 6.460 210 1HB GLU 36 1HB GLU 36 27.396 8.096 4.418 211 2HB GLU 36 2HB GLU 36 27.209 9.374 5.588 212 1HG GLU 36 1HG GLU 36 27.659 7.895 7.365 213 2HG GLU 36 2HG GLU 36 27.609 6.507 6.285 214 H LYS 37 H LYS 37 25.198 7.677 3.046 215 HA LYS 37 HA LYS 37 24.567 10.132 1.984 216 1HB LYS 37 1HB LYS 37 25.065 8.126 0.653 217 2HB LYS 37 2HB LYS 37 23.568 7.397 1.203 218 1HG LYS 37 1HG LYS 37 22.469 9.496 0.180 219 2HG LYS 37 2HG LYS 37 23.964 9.596 -0.752 220 1HD LYS 37 1HD LYS 37 22.380 7.048 -0.572 221 2HD LYS 37 2HD LYS 37 21.998 8.293 -1.763 222 1HE LYS 37 1HE LYS 37 24.647 6.900 -1.462 223 2HE LYS 37 2HE LYS 37 23.442 6.563 -2.701 224 1HZ LYS 37 1HZ LYS 37 23.683 8.967 -3.349 225 2HZ LYS 37 2HZ LYS 37 25.052 9.027 -2.360 226 3HZ LYS 37 3HZ LYS 37 25.014 7.981 -3.689 227 H VAL 38 H VAL 38 22.423 7.716 3.232 228 HA VAL 38 HA VAL 38 20.095 9.325 2.703 229 HB VAL 38 HB VAL 38 18.787 7.552 2.973 230 H GLU 39 H GLU 39 22.041 8.424 5.526 231 HA GLU 39 HA GLU 39 20.241 9.311 7.460 232 1HB GLU 39 1HB GLU 39 23.216 8.960 7.347 233 2HB GLU 39 2HB GLU 39 22.427 9.605 8.769 234 1HG GLU 39 1HG GLU 39 21.000 7.311 7.998 235 2HG GLU 39 2HG GLU 39 22.716 6.910 7.959 236 H ALA 40 H ALA 40 22.784 10.872 5.615 237 HA ALA 40 HA ALA 40 22.651 13.371 6.818 238 1HB ALA 40 1HB ALA 40 24.432 12.722 5.253 239 2HB ALA 40 2HB ALA 40 23.267 12.769 3.928 240 3HB ALA 40 3HB ALA 40 23.682 14.250 4.790 241 H ALA 41 H ALA 41 20.852 11.966 4.188 242 HA ALA 41 HA ALA 41 19.308 14.204 3.496 243 1HB ALA 41 1HB ALA 41 18.690 11.269 3.210 244 2HB ALA 41 2HB ALA 41 17.852 12.578 2.382 245 3HB ALA 41 3HB ALA 41 19.553 12.268 2.040 246 H MET 42 H MET 42 18.701 11.442 5.613 247 HA MET 42 HA MET 42 16.142 12.025 6.436 248 1HB MET 42 1HB MET 42 18.439 10.731 7.882 249 2HB MET 42 2HB MET 42 16.830 10.829 8.562 250 1HG MET 42 1HG MET 42 15.950 9.484 6.756 251 2HG MET 42 2HG MET 42 17.545 9.444 5.996 252 1HE MET 42 1HE MET 42 15.707 6.888 6.771 253 2HE MET 42 2HE MET 42 17.256 6.720 5.943 254 3HE MET 42 3HE MET 42 16.922 5.775 7.396 255 H ALA 43 H ALA 43 19.202 13.055 7.654 256 HA ALA 43 HA ALA 43 18.401 14.342 9.998 257 1HB ALA 43 1HB ALA 43 20.822 14.853 8.293 258 2HB ALA 43 2HB ALA 43 20.685 13.651 9.578 259 3HB ALA 43 3HB ALA 43 20.612 15.369 9.968 260 H GLU 44 H GLU 44 19.082 15.756 6.815 261 HA GLU 44 HA GLU 44 18.738 18.414 7.547 262 1HB GLU 44 1HB GLU 44 18.195 17.190 4.891 263 2HB GLU 44 2HB GLU 44 18.594 18.863 5.216 264 1HG GLU 44 1HG GLU 44 20.625 17.368 6.384 265 2HG GLU 44 2HG GLU 44 20.289 16.623 4.832 266 H LEU 45 H LEU 45 16.519 16.168 6.050 267 HA LEU 45 HA LEU 45 14.345 17.989 6.020 268 1HB LEU 45 1HB LEU 45 14.136 15.017 5.775 269 2HB LEU 45 2HB LEU 45 13.174 16.254 5.015 270 HG LEU 45 HG LEU 45 16.058 16.119 4.306 271 H ASN 46 H ASN 46 15.593 15.751 8.313 272 HA ASN 46 HA ASN 46 15.018 15.212 10.429 273 1HB ASN 46 1HB ASN 46 14.322 17.547 10.729 274 2HB ASN 46 2HB ASN 46 12.764 17.143 10.055 275 1HD2 ASN 46 1HD2 ASN 46 14.919 16.591 12.702 276 1HD2 ASN 46 1HD2 ASN 46 13.696 16.180 13.847 277 H TYR 47 H TYR 47 14.690 13.409 8.867 278 HA TYR 47 HA TYR 47 12.085 12.525 8.194 279 1HB TYR 47 1HB TYR 47 13.960 11.800 6.869 280 2HB TYR 47 2HB TYR 47 14.745 11.111 8.283 281 HD1 TYR 47 HD1 TYR 47 14.689 8.811 8.443 282 HD2 TYR 47 HD2 TYR 47 11.409 10.796 6.596 283 HE1 TYR 47 HE1 TYR 47 13.609 6.652 8.050 284 HE2 TYR 47 HE2 TYR 47 10.330 8.623 6.195 285 HH TYR 47 HH TYR 47 10.739 6.355 6.103 286 H ILE 48 H ILE 48 10.671 11.390 9.271 287 HA ILE 48 HA ILE 48 11.499 9.678 11.481 288 HB ILE 48 HB ILE 48 9.215 11.659 11.646 289 HA PRO 49 HA PRO 49 8.866 7.221 8.824 290 1HB PRO 49 1HB PRO 49 9.371 4.836 10.014 291 2HB PRO 49 2HB PRO 49 10.481 5.603 8.874 292 1HG PRO 49 1HG PRO 49 10.614 5.449 11.838 293 2HG PRO 49 2HG PRO 49 11.925 5.437 10.648 294 1HD PRO 49 1HD PRO 49 11.162 7.632 12.164 295 2HD PRO 49 2HD PRO 49 12.085 7.713 10.650 296 H ASN 50 H ASN 50 7.072 5.520 9.265 297 HA ASN 50 HA ASN 50 5.665 6.314 11.696 298 1HB ASN 50 1HB ASN 50 4.804 5.818 8.870 299 2HB ASN 50 2HB ASN 50 3.682 5.381 10.170 300 1HD2 ASN 50 1HD2 ASN 50 3.498 7.410 8.103 301 1HD2 ASN 50 1HD2 ASN 50 3.294 8.916 8.933 302 H ARG 51 H ARG 51 5.333 4.750 13.121 303 HA ARG 51 HA ARG 51 6.504 2.231 12.884 304 1HB ARG 51 1HB ARG 51 5.115 3.697 14.880 305 2HB ARG 51 2HB ARG 51 4.421 2.083 14.805 306 1HG ARG 51 1HG ARG 51 6.118 1.874 16.367 307 2HG ARG 51 2HG ARG 51 6.844 1.254 14.883 308 1HD ARG 51 1HD ARG 51 7.202 4.126 15.196 309 2HD ARG 51 2HD ARG 51 7.883 3.217 16.540 310 HE ARG 51 HE ARG 51 8.606 2.272 13.897 311 1HH1 ARG 51 1HH1 ARG 51 9.458 4.340 16.590 312 1HH2 ARG 51 1HH2 ARG 51 10.826 2.324 13.365 313 2HH1 ARG 51 2HH1 ARG 51 11.148 4.373 16.199 314 2HH2 ARG 51 2HH2 ARG 51 11.932 3.212 14.368 315 H CYS 52 H CYS 52 3.319 3.274 11.930 316 HA CYS 52 HA CYS 52 2.203 0.608 11.910 317 1HB CYS 52 1HB CYS 52 1.191 3.165 11.974 318 2HB CYS 52 2HB CYS 52 0.889 2.654 10.324 319 H ALA 53 H ALA 53 3.950 2.619 9.798 320 HA ALA 53 HA ALA 53 3.034 1.293 7.390 321 1HB ALA 53 1HB ALA 53 3.732 3.671 7.307 322 2HB ALA 53 2HB ALA 53 5.366 3.180 7.753 323 3HB ALA 53 3HB ALA 53 4.674 2.649 6.220 324 H GLN 54 H GLN 54 5.614 1.297 9.692 325 HA GLN 54 HA GLN 54 7.312 -0.579 8.411 326 1HB GLN 54 1HB GLN 54 7.105 0.279 11.292 327 2HB GLN 54 2HB GLN 54 8.436 -0.618 10.587 328 1HG GLN 54 1HG GLN 54 8.587 1.399 8.965 329 2HG GLN 54 2HG GLN 54 7.689 2.230 10.230 330 H GLN 55 H GLN 55 4.764 -0.696 10.845 331 HA GLN 55 HA GLN 55 5.130 -3.412 11.557 332 1HB GLN 55 1HB GLN 55 2.939 -1.418 11.913 333 2HB GLN 55 2HB GLN 55 2.653 -3.097 12.328 334 1HG GLN 55 1HG GLN 55 4.261 -1.041 13.664 335 2HG GLN 55 2HG GLN 55 3.378 -2.406 14.347 336 H LEU 56 H LEU 56 2.983 -1.771 9.291 337 HA LEU 56 HA LEU 56 1.673 -4.086 8.363 338 1HB LEU 56 1HB LEU 56 1.203 -1.527 8.061 339 2HB LEU 56 2HB LEU 56 2.201 -1.702 6.626 340 HG LEU 56 HG LEU 56 0.651 -3.343 5.719 341 H ALA 57 H ALA 57 4.012 -2.146 6.695 342 HA ALA 57 HA ALA 57 4.658 -3.884 4.653 343 1HB ALA 57 1HB ALA 57 6.554 -1.872 5.848 344 2HB ALA 57 2HB ALA 57 5.291 -1.514 4.672 345 3HB ALA 57 3HB ALA 57 6.635 -2.562 4.227 346 H GLY 58 H GLY 58 5.925 -3.881 7.906 347 1HA GLY 58 1HA GLY 58 7.554 -5.182 8.903 348 2HA GLY 58 2HA GLY 58 8.135 -5.605 7.299 349 H LYS 59 H LYS 59 4.824 -6.141 7.630 350 HA LYS 59 HA LYS 59 5.067 -8.799 8.710 351 1HB LYS 59 1HB LYS 59 3.135 -7.099 9.077 352 2HB LYS 59 2HB LYS 59 2.561 -7.715 7.538 353 1HG LYS 59 1HG LYS 59 2.970 -10.036 8.759 354 2HG LYS 59 2HG LYS 59 2.672 -9.033 10.177 355 1HD LYS 59 1HD LYS 59 0.563 -9.877 9.573 356 2HD LYS 59 2HD LYS 59 0.585 -8.226 8.953 357 1HE LYS 59 1HE LYS 59 -0.346 -9.710 7.287 358 2HE LYS 59 2HE LYS 59 1.207 -9.090 6.732 359 1HZ LYS 59 1HZ LYS 59 0.959 -11.713 8.073 360 2HZ LYS 59 2HZ LYS 59 0.766 -11.544 6.401 361 3HZ LYS 59 3HZ LYS 59 2.239 -11.136 7.127 362 H GLN 60 H GLN 60 5.726 -7.590 5.776 363 HA GLN 60 HA GLN 60 4.327 -9.259 4.001 364 1HB GLN 60 1HB GLN 60 6.831 -7.674 3.815 365 2HB GLN 60 2HB GLN 60 6.331 -8.688 2.493 366 1HG GLN 60 1HG GLN 60 4.258 -7.489 2.347 367 2HG GLN 60 2HG GLN 60 4.735 -6.490 3.704 368 H SER 61 H SER 61 7.232 -9.675 5.839 369 HA SER 61 HA SER 61 7.994 -12.104 4.485 370 1HB SER 61 1HB SER 61 9.388 -11.815 6.939 371 2HB SER 61 2HB SER 61 9.985 -11.522 5.308 372 HG SER 61 HG SER 61 10.160 -9.650 6.589 373 H LEU 62 H LEU 62 5.530 -11.506 6.481 374 HA LEU 62 HA LEU 62 5.825 -13.975 8.041 375 1HB LEU 62 1HB LEU 62 5.269 -11.781 9.188 376 2HB LEU 62 2HB LEU 62 3.722 -11.839 8.372 377 HG LEU 62 HG LEU 62 3.247 -13.995 9.520 378 H1 MET 101 H1 MET 101 1.681 -13.885 3.748 379 H2 MET 101 H2 MET 101 2.253 -14.112 5.328 380 H3 MET 101 H3 MET 101 2.542 -15.287 4.142 381 HA MET 101 HA MET 101 0.258 -15.855 4.011 382 1HB MET 101 1HB MET 101 1.336 -17.063 5.735 383 2HB MET 101 2HB MET 101 1.401 -15.663 6.794 384 1HG MET 101 1HG MET 101 -0.232 -17.266 7.578 385 2HG MET 101 2HG MET 101 -1.017 -15.766 7.089 386 1HE MET 101 1HE MET 101 -2.644 -18.357 7.599 387 2HE MET 101 2HE MET 101 -3.419 -16.907 6.969 388 3HE MET 101 3HE MET 101 -3.701 -18.466 6.192 389 H LYS 102 H LYS 102 -1.827 -15.201 4.057 390 HA LYS 102 HA LYS 102 -2.442 -12.796 5.629 391 1HB LYS 102 1HB LYS 102 -3.956 -12.043 3.858 392 2HB LYS 102 2HB LYS 102 -2.309 -12.185 3.269 393 1HG LYS 102 1HG LYS 102 -2.793 -13.997 1.933 394 2HG LYS 102 2HG LYS 102 -4.206 -14.456 2.884 395 1HD LYS 102 1HD LYS 102 -4.036 -11.965 1.192 396 2HD LYS 102 2HD LYS 102 -4.733 -13.488 0.639 397 1HE LYS 102 1HE LYS 102 -5.694 -11.823 2.968 398 2HE LYS 102 2HE LYS 102 -6.475 -11.961 1.396 399 1HZ LYS 102 1HZ LYS 102 -6.631 -14.415 1.891 400 2HZ LYS 102 2HZ LYS 102 -6.209 -14.045 3.485 401 3HZ LYS 102 3HZ LYS 102 -7.628 -13.411 2.818 402 HA PRO 103 HA PRO 103 -5.555 -15.598 7.252 403 1HB PRO 103 1HB PRO 103 -6.400 -13.393 8.919 404 2HB PRO 103 2HB PRO 103 -5.595 -14.881 9.398 405 1HG PRO 103 1HG PRO 103 -4.417 -12.427 9.520 406 2HG PRO 103 2HG PRO 103 -3.514 -13.939 9.304 407 1HD PRO 103 1HD PRO 103 -4.284 -11.881 7.273 408 2HD PRO 103 2HD PRO 103 -2.788 -12.829 7.419 409 H VAL 104 H VAL 104 -7.984 -14.598 8.220 410 HA VAL 104 HA VAL 104 -9.454 -14.165 5.854 411 HB VAL 104 HB VAL 104 -10.437 -13.235 8.509 412 H THR 105 H THR 105 -10.276 -12.279 4.995 413 HA THR 105 HA THR 105 -9.500 -9.768 6.269 414 HB THR 105 HB THR 105 -8.480 -9.000 4.029 415 HG1 THR 105 HG1 THR 105 -8.654 -11.788 3.707 416 H LEU 106 H LEU 106 -10.024 -7.926 4.534 417 HA LEU 106 HA LEU 106 -12.863 -8.118 4.233 418 1HB LEU 106 1HB LEU 106 -12.148 -5.977 2.633 419 2HB LEU 106 2HB LEU 106 -12.695 -5.909 4.292 420 HG LEU 106 HG LEU 106 -10.145 -6.215 4.818 421 H TYR 107 H TYR 107 -10.159 -8.795 2.208 422 HA TYR 107 HA TYR 107 -11.413 -8.666 -0.303 423 1HB TYR 107 1HB TYR 107 -9.053 -10.195 0.779 424 2HB TYR 107 2HB TYR 107 -9.599 -10.404 -0.876 425 HD1 TYR 107 HD1 TYR 107 -7.927 -8.194 1.481 426 HD2 TYR 107 HD2 TYR 107 -9.316 -8.608 -2.515 427 HE1 TYR 107 HE1 TYR 107 -6.511 -6.306 0.804 428 HE2 TYR 107 HE2 TYR 107 -7.908 -6.713 -3.204 429 HH TYR 107 HH TYR 107 -5.411 -5.569 -1.490 430 H ASP 108 H ASP 108 -11.072 -11.148 2.132 431 HA ASP 108 HA ASP 108 -12.185 -13.272 0.659 432 1HB ASP 108 1HB ASP 108 -11.686 -12.785 3.603 433 2HB ASP 108 2HB ASP 108 -12.343 -14.296 2.991 434 H VAL 109 H VAL 109 -13.510 -11.292 3.310 435 HA VAL 109 HA VAL 109 -16.057 -12.440 2.975 436 HB VAL 109 HB VAL 109 -16.580 -11.474 4.865 437 H ALA 110 H ALA 110 -14.467 -9.855 1.340 438 HA ALA 110 HA ALA 110 -16.832 -8.674 0.233 439 1HB ALA 110 1HB ALA 110 -14.004 -8.594 -0.811 440 2HB ALA 110 2HB ALA 110 -15.339 -7.577 -1.354 441 3HB ALA 110 3HB ALA 110 -14.728 -7.428 0.296 442 H GLU 111 H GLU 111 -14.654 -11.227 -0.557 443 HA GLU 111 HA GLU 111 -15.533 -11.781 -3.194 444 1HB GLU 111 1HB GLU 111 -13.641 -12.745 -1.296 445 2HB GLU 111 2HB GLU 111 -14.545 -14.116 -1.904 446 1HG GLU 111 1HG GLU 111 -13.386 -12.086 -3.765 447 2HG GLU 111 2HG GLU 111 -12.408 -13.397 -3.123 448 H TYR 112 H TYR 112 -16.234 -12.960 -0.017 449 HA TYR 112 HA TYR 112 -18.108 -14.972 -0.533 450 1HB TYR 112 1HB TYR 112 -16.816 -13.901 1.598 451 2HB TYR 112 2HB TYR 112 -18.438 -13.318 1.845 452 HD1 TYR 112 HD1 TYR 112 -16.765 -16.553 0.982 453 HD2 TYR 112 HD2 TYR 112 -19.778 -14.533 3.189 454 HE1 TYR 112 HE1 TYR 112 -17.383 -18.668 2.074 455 HE2 TYR 112 HE2 TYR 112 -20.400 -16.616 4.282 456 HH TYR 112 HH TYR 112 -20.188 -18.884 4.199 457 H ALA 113 H ALA 113 -18.525 -11.728 0.629 458 HA ALA 113 HA ALA 113 -21.299 -11.607 0.508 459 1HB ALA 113 1HB ALA 113 -20.068 -10.088 1.879 460 2HB ALA 113 2HB ALA 113 -20.996 -9.150 0.706 461 3HB ALA 113 3HB ALA 113 -19.267 -9.397 0.470 462 H GLY 114 H GLY 114 -18.970 -11.286 -1.999 463 1HA GLY 114 1HA GLY 114 -21.075 -11.055 -3.959 464 2HA GLY 114 2HA GLY 114 -19.355 -11.219 -4.286 465 H VAL 115 H VAL 115 -18.399 -9.079 -2.807 466 HA VAL 115 HA VAL 115 -19.322 -6.812 -4.392 467 HB VAL 115 HB VAL 115 -19.166 -5.322 -2.427 468 H SER 116 H SER 116 -17.629 -4.939 -3.300 469 HA SER 116 HA SER 116 -15.003 -6.095 -3.934 470 1HB SER 116 1HB SER 116 -14.287 -3.957 -4.648 471 2HB SER 116 2HB SER 116 -15.918 -4.119 -5.291 472 HG SER 116 HG SER 116 -16.659 -2.705 -3.821 473 H VAL 117 H VAL 117 -13.205 -4.652 -2.772 474 HA VAL 117 HA VAL 117 -13.564 -5.194 0.013 475 HB VAL 117 HB VAL 117 -11.281 -4.363 0.246 476 H ALA 118 H ALA 118 -14.181 -2.643 -2.076 477 HA ALA 118 HA ALA 118 -13.855 -0.504 -0.221 478 1HB ALA 118 1HB ALA 118 -15.418 -0.641 -2.796 479 2HB ALA 118 2HB ALA 118 -15.076 0.829 -1.882 480 3HB ALA 118 3HB ALA 118 -13.755 -0.085 -2.610 481 H THR 119 H THR 119 -16.466 -2.662 -1.254 482 HA THR 119 HA THR 119 -18.543 -1.305 0.080 483 HB THR 119 HB THR 119 -18.689 -4.244 -0.252 484 HG1 THR 119 HG1 THR 119 -19.039 -2.854 -2.614 485 H VAL 120 H VAL 120 -16.558 -4.072 0.911 486 HA VAL 120 HA VAL 120 -17.620 -4.523 3.468 487 HB VAL 120 HB VAL 120 -14.946 -5.250 2.285 488 H SER 121 H SER 121 -14.841 -2.594 2.429 489 HA SER 121 HA SER 121 -13.887 -1.846 4.908 490 1HB SER 121 1HB SER 121 -12.693 -1.373 2.822 491 2HB SER 121 2HB SER 121 -13.949 -0.235 2.342 492 HG SER 121 HG SER 121 -12.155 -0.030 4.525 493 H ARG 122 H ARG 122 -16.623 -0.651 3.013 494 HA ARG 122 HA ARG 122 -17.156 1.633 4.555 495 1HB ARG 122 1HB ARG 122 -19.099 -0.146 3.115 496 2HB ARG 122 2HB ARG 122 -19.422 1.473 3.684 497 1HG ARG 122 1HG ARG 122 -17.336 0.807 1.634 498 2HG ARG 122 2HG ARG 122 -18.967 1.351 1.260 499 1HD ARG 122 1HD ARG 122 -18.483 3.381 2.691 500 2HD ARG 122 2HD ARG 122 -16.802 2.852 2.710 501 HE ARG 122 HE ARG 122 -17.619 2.961 0.051 502 1HH1 ARG 122 1HH1 ARG 122 -17.084 5.132 2.731 503 1HH2 ARG 122 1HH2 ARG 122 -17.119 4.771 -1.297 504 2HH1 ARG 122 2HH1 ARG 122 -16.709 6.499 1.730 505 2HH2 ARG 122 2HH2 ARG 122 -16.737 6.293 -0.563 506 H VAL 123 H VAL 123 -18.269 -1.687 4.798 507 HA VAL 123 HA VAL 123 -19.978 -1.231 7.039 508 HB VAL 123 HB VAL 123 -18.762 -3.829 6.112 509 H VAL 124 H VAL 124 -16.696 -2.413 6.586 510 HA VAL 124 HA VAL 124 -16.030 -2.895 9.255 511 HB VAL 124 HB VAL 124 -14.529 -2.167 6.757 512 H ASN 125 H ASN 125 -16.306 -0.080 7.327 513 HA ASN 125 HA ASN 125 -15.248 1.716 9.399 514 1HB ASN 125 1HB ASN 125 -15.847 1.939 6.496 515 2HB ASN 125 2HB ASN 125 -16.043 3.394 7.460 516 1HD2 ASN 125 1HD2 ASN 125 -13.900 1.365 5.830 517 1HD2 ASN 125 1HD2 ASN 125 -12.418 2.129 6.324 518 H GLN 126 H GLN 126 -17.841 0.229 9.583 519 HA GLN 126 HA GLN 126 -19.830 0.577 10.567 520 1HB GLN 126 1HB GLN 126 -19.684 3.502 10.790 521 2HB GLN 126 2HB GLN 126 -20.193 2.314 11.970 522 1HG GLN 126 1HG GLN 126 -17.407 3.137 11.274 523 2HG GLN 126 2HG GLN 126 -18.245 3.393 12.801 524 H ALA 127 H ALA 127 -19.961 0.140 8.158 525 HA ALA 127 HA ALA 127 -20.565 0.667 5.999 526 1HB ALA 127 1HB ALA 127 -22.992 0.491 7.746 527 2HB ALA 127 2HB ALA 127 -23.002 0.293 5.993 528 3HB ALA 127 3HB ALA 127 -22.085 -0.825 7.005 529 H SER 128 H SER 128 -23.143 2.522 7.584 530 HA SER 128 HA SER 128 -24.005 4.526 7.133 531 1HB SER 128 1HB SER 128 -21.190 5.125 6.331 532 2HB SER 128 2HB SER 128 -22.443 6.350 6.468 533 HG SER 128 HG SER 128 -21.491 4.639 8.539 534 H HIS 129 H HIS 129 -21.714 4.722 4.473 535 HA HIS 129 HA HIS 129 -23.845 5.135 2.644 536 1HB HIS 129 1HB HIS 129 -20.882 4.990 2.325 537 2HB HIS 129 2HB HIS 129 -21.909 4.914 0.899 538 HD1 HIS 129 HD1 HIS 129 -20.754 7.277 0.300 539 HD2 HIS 129 HD2 HIS 129 -23.336 7.237 3.556 540 HE1 HIS 129 HE1 HIS 129 -21.384 9.678 0.705 541 HE2 HIS 129 HE2 HIS 129 -22.875 9.637 2.728 542 H VAL 130 H VAL 130 -22.875 2.269 3.928 543 HA VAL 130 HA VAL 130 -23.358 0.738 1.527 544 HB VAL 130 HB VAL 130 -22.114 0.200 4.117 545 H SER 131 H SER 131 -25.249 -0.366 1.132 546 HA SER 131 HA SER 131 -27.562 0.531 2.430 547 1HB SER 131 1HB SER 131 -28.249 -1.811 1.071 548 2HB SER 131 2HB SER 131 -28.272 -0.172 0.408 549 HG SER 131 HG SER 131 -26.967 -1.323 -0.938 550 H ALA 132 H ALA 132 -29.055 -0.639 3.729 551 HA ALA 132 HA ALA 132 -28.029 -1.955 5.917 552 1HB ALA 132 1HB ALA 132 -30.238 -0.963 5.907 553 2HB ALA 132 2HB ALA 132 -30.337 -2.653 6.401 554 3HB ALA 132 3HB ALA 132 -30.809 -2.182 4.768 555 H LYS 133 H LYS 133 -29.559 -3.445 3.060 556 HA LYS 133 HA LYS 133 -29.291 -6.087 3.918 557 1HB LYS 133 1HB LYS 133 -30.705 -5.281 2.011 558 2HB LYS 133 2HB LYS 133 -29.229 -5.175 1.072 559 1HG LYS 133 1HG LYS 133 -30.434 -7.235 0.599 560 2HG LYS 133 2HG LYS 133 -28.860 -7.562 1.324 561 1HD LYS 133 1HD LYS 133 -30.896 -7.285 3.351 562 2HD LYS 133 2HD LYS 133 -31.335 -8.516 2.176 563 1HE LYS 133 1HE LYS 133 -29.364 -9.746 2.569 564 2HE LYS 133 2HE LYS 133 -28.644 -8.418 3.462 565 1HZ LYS 133 1HZ LYS 133 -31.052 -9.889 4.357 566 2HZ LYS 133 2HZ LYS 133 -29.482 -10.241 4.882 567 3HZ LYS 133 3HZ LYS 133 -30.175 -8.736 5.238 568 H THR 134 H THR 134 -27.101 -4.028 2.115 569 HA THR 134 HA THR 134 -25.165 -5.992 1.564 570 HB THR 134 HB THR 134 -24.715 -3.067 1.880 571 HG1 THR 134 HG1 THR 134 -25.662 -2.816 -0.001 572 H ARG 135 H ARG 135 -25.502 -3.666 4.177 573 HA ARG 135 HA ARG 135 -23.214 -4.178 5.593 574 1HB ARG 135 1HB ARG 135 -24.653 -2.442 6.363 575 2HB ARG 135 2HB ARG 135 -26.009 -3.543 6.545 576 1HG ARG 135 1HG ARG 135 -23.587 -4.038 8.189 577 2HG ARG 135 2HG ARG 135 -24.627 -2.692 8.623 578 1HD ARG 135 1HD ARG 135 -26.497 -4.149 8.819 579 2HD ARG 135 2HD ARG 135 -25.562 -5.499 8.214 580 HE ARG 135 HE ARG 135 -24.152 -5.138 10.298 581 1HH1 ARG 135 1HH1 ARG 135 -27.590 -4.439 10.191 582 1HH2 ARG 135 1HH2 ARG 135 -24.468 -5.528 12.514 583 2HH1 ARG 135 2HH1 ARG 135 -27.818 -4.720 11.887 584 2HH2 ARG 135 2HH2 ARG 135 -26.049 -5.336 13.206 585 H GLU 136 H GLU 136 -26.211 -5.939 5.612 586 HA GLU 136 HA GLU 136 -25.420 -7.880 7.543 587 1HB GLU 136 1HB GLU 136 -27.631 -7.846 5.535 588 2HB GLU 136 2HB GLU 136 -27.440 -9.112 6.715 589 1HG GLU 136 1HG GLU 136 -27.878 -7.635 8.481 590 2HG GLU 136 2HG GLU 136 -27.743 -6.237 7.426 591 H LYS 137 H LYS 137 -25.427 -7.613 4.095 592 HA LYS 137 HA LYS 137 -24.808 -10.149 3.227 593 1HB LYS 137 1HB LYS 137 -25.353 -8.245 1.752 594 2HB LYS 137 2HB LYS 137 -23.833 -7.491 2.188 595 1HG LYS 137 1HG LYS 137 -22.806 -9.703 1.308 596 2HG LYS 137 2HG LYS 137 -24.321 -9.806 0.403 597 1HD LYS 137 1HD LYS 137 -22.583 -7.348 0.426 598 2HD LYS 137 2HD LYS 137 -22.379 -8.648 -0.749 599 1HE LYS 137 1HE LYS 137 -24.886 -7.037 -0.323 600 2HE LYS 137 2HE LYS 137 -23.736 -6.805 -1.632 601 1HZ LYS 137 1HZ LYS 137 -24.220 -9.131 -2.317 602 2HZ LYS 137 2HZ LYS 137 -25.466 -9.172 -1.169 603 3HZ LYS 137 3HZ LYS 137 -25.537 -8.079 -2.460 604 H VAL 138 H VAL 138 -22.634 -7.620 4.185 605 HA VAL 138 HA VAL 138 -20.312 -9.272 3.760 606 HB VAL 138 HB VAL 138 -18.999 -7.485 3.822 607 H GLU 139 H GLU 139 -22.150 -8.094 6.549 608 HA GLU 139 HA GLU 139 -20.288 -8.826 8.495 609 1HB GLU 139 1HB GLU 139 -23.267 -8.442 8.494 610 2HB GLU 139 2HB GLU 139 -22.387 -8.892 9.934 611 1HG GLU 139 1HG GLU 139 -21.011 -6.731 8.798 612 2HG GLU 139 2HG GLU 139 -22.728 -6.327 8.765 613 H ALA 140 H ALA 140 -22.904 -10.504 6.893 614 HA ALA 140 HA ALA 140 -22.771 -12.874 8.343 615 1HB ALA 140 1HB ALA 140 -23.479 -12.557 5.432 616 2HB ALA 140 2HB ALA 140 -24.592 -12.330 6.779 617 3HB ALA 140 3HB ALA 140 -23.900 -13.923 6.465 618 H ALA 141 H ALA 141 -21.058 -11.764 5.523 619 HA ALA 141 HA ALA 141 -19.562 -14.080 4.988 620 1HB ALA 141 1HB ALA 141 -19.811 -12.303 3.350 621 2HB ALA 141 2HB ALA 141 -18.101 -12.564 3.702 622 3HB ALA 141 3HB ALA 141 -18.943 -11.184 4.405 623 H MET 142 H MET 142 -18.852 -11.144 6.813 624 HA MET 142 HA MET 142 -16.270 -11.684 7.608 625 1HB MET 142 1HB MET 142 -18.498 -10.259 9.049 626 2HB MET 142 2HB MET 142 -16.844 -10.281 9.613 627 1HG MET 142 1HG MET 142 -16.111 -9.103 7.641 628 2HG MET 142 2HG MET 142 -17.754 -9.155 6.986 629 1HE MET 142 1HE MET 142 -15.862 -6.609 7.394 630 2HE MET 142 2HE MET 142 -17.466 -6.342 6.715 631 3HE MET 142 3HE MET 142 -16.915 -5.373 8.083 632 H ALA 143 H ALA 143 -19.295 -12.594 8.929 633 HA ALA 143 HA ALA 143 -18.493 -13.662 11.388 634 1HB ALA 143 1HB ALA 143 -20.711 -14.645 11.485 635 2HB ALA 143 2HB ALA 143 -20.935 -14.307 9.767 636 3HB ALA 143 3HB ALA 143 -20.773 -12.977 10.914 637 H GLU 144 H GLU 144 -19.208 -15.341 8.346 638 HA GLU 144 HA GLU 144 -18.880 -17.923 9.319 639 1HB GLU 144 1HB GLU 144 -18.389 -16.946 6.552 640 2HB GLU 144 2HB GLU 144 -18.745 -18.593 7.031 641 1HG GLU 144 1HG GLU 144 -20.813 -17.109 8.093 642 2HG GLU 144 2HG GLU 144 -20.493 -16.389 6.524 643 H LEU 145 H LEU 145 -16.672 -15.834 7.606 644 HA LEU 145 HA LEU 145 -14.505 -17.668 7.651 645 1HB LEU 145 1HB LEU 145 -14.313 -14.717 7.186 646 2HB LEU 145 2HB LEU 145 -13.358 -16.002 6.489 647 HG LEU 145 HG LEU 145 -16.262 -15.922 5.845 648 H ASN 146 H ASN 146 -15.687 -15.218 9.749 649 HA ASN 146 HA ASN 146 -15.094 -14.519 11.812 650 1HB ASN 146 1HB ASN 146 -14.443 -16.772 12.390 651 2HB ASN 146 2HB ASN 146 -12.921 -16.555 11.567 652 1HD2 ASN 146 1HD2 ASN 146 -14.829 -15.579 14.275 653 1HD2 ASN 146 1HD2 ASN 146 -13.502 -15.094 15.269 654 H TYR 147 H TYR 147 -14.791 -12.866 10.133 655 HA TYR 147 HA TYR 147 -12.232 -11.984 9.323 656 1HB TYR 147 1HB TYR 147 -14.236 -11.361 8.075 657 2HB TYR 147 2HB TYR 147 -14.882 -10.551 9.492 658 HD1 TYR 147 HD1 TYR 147 -14.850 -8.257 9.373 659 HD2 TYR 147 HD2 TYR 147 -11.621 -10.427 7.643 660 HE1 TYR 147 HE1 TYR 147 -13.763 -6.156 8.768 661 HE2 TYR 147 HE2 TYR 147 -10.537 -8.306 7.028 662 HH TYR 147 HH TYR 147 -10.888 -6.068 6.785 663 H ILE 148 H ILE 148 -10.763 -10.801 10.326 664 HA ILE 148 HA ILE 148 -11.596 -8.925 12.399 665 HB ILE 148 HB ILE 148 -9.325 -10.900 12.686 666 HA PRO 149 HA PRO 149 -9.013 -6.638 9.556 667 1HB PRO 149 1HB PRO 149 -9.570 -4.174 10.519 668 2HB PRO 149 2HB PRO 149 -10.690 -5.066 9.482 669 1HG PRO 149 1HG PRO 149 -10.746 -4.647 12.423 670 2HG PRO 149 2HG PRO 149 -12.086 -4.749 11.270 671 1HD PRO 149 1HD PRO 149 -11.268 -6.805 12.941 672 2HD PRO 149 2HD PRO 149 -12.219 -7.022 11.461 673 H ASN 150 H ASN 150 -7.224 -4.947 9.822 674 HA ASN 150 HA ASN 150 -5.793 -5.532 12.292 675 1HB ASN 150 1HB ASN 150 -4.994 -5.291 9.433 676 2HB ASN 150 2HB ASN 150 -3.871 -4.634 10.632 677 1HD2 ASN 150 1HD2 ASN 150 -3.822 -6.970 8.794 678 1HD2 ASN 150 1HD2 ASN 150 -3.423 -8.311 9.817 679 H ARG 151 H ARG 151 -5.442 -3.886 13.606 680 HA ARG 151 HA ARG 151 -6.671 -1.409 13.278 681 1HB ARG 151 1HB ARG 151 -5.277 -2.751 15.308 682 2HB ARG 151 2HB ARG 151 -4.472 -1.203 15.103 683 1HG ARG 151 1HG ARG 151 -6.095 -0.806 16.727 684 2HG ARG 151 2HG ARG 151 -6.790 -0.156 15.240 685 1HD ARG 151 1HD ARG 151 -7.459 -2.937 15.524 686 2HD ARG 151 2HD ARG 151 -7.907 -2.057 16.981 687 HE ARG 151 HE ARG 151 -8.784 -0.633 14.712 688 1HH1 ARG 151 1HH1 ARG 151 -9.471 -3.554 16.511 689 1HH2 ARG 151 1HH2 ARG 151 -10.999 -0.667 14.130 690 2HH1 ARG 151 2HH1 ARG 151 -11.153 -3.584 16.078 691 2HH2 ARG 151 2HH2 ARG 151 -12.021 -1.937 14.722 692 H CYS 152 H CYS 152 -3.496 -2.435 12.300 693 HA CYS 152 HA CYS 152 -2.398 0.221 12.117 694 1HB CYS 152 1HB CYS 152 -1.329 -2.294 12.248 695 2HB CYS 152 2HB CYS 152 -1.194 -1.929 10.535 696 H ALA 153 H ALA 153 -3.262 -2.234 9.756 697 HA ALA 153 HA ALA 153 -3.108 -0.744 7.489 698 1HB ALA 153 1HB ALA 153 -5.298 -2.750 8.039 699 2HB ALA 153 2HB ALA 153 -4.689 -2.255 6.460 700 3HB ALA 153 3HB ALA 153 -3.650 -3.160 7.561 701 H GLN 154 H GLN 154 -5.689 -0.763 9.860 702 HA GLN 154 HA GLN 154 -7.489 0.904 8.451 703 1HB GLN 154 1HB GLN 154 -7.186 0.300 11.388 704 2HB GLN 154 2HB GLN 154 -8.550 1.140 10.670 705 1HG GLN 154 1HG GLN 154 -8.734 -0.974 9.179 706 2HG GLN 154 2HG GLN 154 -7.782 -1.722 10.457 707 H GLN 155 H GLN 155 -5.038 1.435 10.924 708 HA GLN 155 HA GLN 155 -5.431 4.192 11.284 709 1HB GLN 155 1HB GLN 155 -3.136 2.337 11.772 710 2HB GLN 155 2HB GLN 155 -2.944 4.058 12.027 711 1HG GLN 155 1HG GLN 155 -4.318 2.044 13.625 712 2HG GLN 155 2HG GLN 155 -3.599 3.578 14.109 713 H LEU 156 H LEU 156 -3.077 2.432 9.308 714 HA LEU 156 HA LEU 156 -1.837 4.643 8.129 715 1HB LEU 156 1HB LEU 156 -1.303 2.091 8.156 716 2HB LEU 156 2HB LEU 156 -2.279 2.046 6.698 717 HG LEU 156 HG LEU 156 -0.737 3.510 5.554 718 H ALA 157 H ALA 157 -4.100 2.474 6.611 719 HA ALA 157 HA ALA 157 -4.743 3.980 4.389 720 1HB ALA 157 1HB ALA 157 -6.643 2.104 5.790 721 2HB ALA 157 2HB ALA 157 -6.731 2.624 4.107 722 3HB ALA 157 3HB ALA 157 -5.383 1.625 4.655 723 H GLY 158 H GLY 158 -6.046 4.292 7.607 724 1HA GLY 158 1HA GLY 158 -7.669 5.670 8.486 725 2HA GLY 158 2HA GLY 158 -8.262 5.930 6.850 726 H LYS 159 H LYS 159 -4.953 6.532 7.094 727 HA LYS 159 HA LYS 159 -5.216 9.271 7.933 728 1HB LYS 159 1HB LYS 159 -3.237 7.641 8.371 729 2HB LYS 159 2HB LYS 159 -2.722 8.154 6.772 730 1HG LYS 159 1HG LYS 159 -3.204 10.547 7.886 731 2HG LYS 159 2HG LYS 159 -2.737 9.625 9.316 732 1HD LYS 159 1HD LYS 159 -0.733 10.536 8.508 733 2HD LYS 159 2HD LYS 159 -0.719 8.863 7.952 734 1HE LYS 159 1HE LYS 159 -0.006 10.220 6.134 735 2HE LYS 159 2HE LYS 159 -1.640 9.671 5.769 736 1HZ LYS 159 1HZ LYS 159 -1.179 12.292 7.048 737 2HZ LYS 159 2HZ LYS 159 -1.053 12.117 5.373 738 3HZ LYS 159 3HZ LYS 159 -2.514 11.773 6.149 739 H GLN 160 H GLN 160 -5.909 7.777 5.124 740 HA GLN 160 HA GLN 160 -4.626 9.348 3.182 741 1HB GLN 160 1HB GLN 160 -7.099 7.704 3.196 742 2HB GLN 160 2HB GLN 160 -6.640 8.616 1.786 743 1HG GLN 160 1HG GLN 160 -4.551 7.452 1.690 744 2HG GLN 160 2HG GLN 160 -4.968 6.557 3.136 745 H SER 161 H SER 161 -7.395 9.865 5.156 746 HA SER 161 HA SER 161 -8.327 12.157 3.650 747 1HB SER 161 1HB SER 161 -9.751 12.188 5.976 748 2HB SER 161 2HB SER 161 -10.199 11.253 4.546 749 HG SER 161 HG SER 161 -10.172 9.838 6.254 750 H LEU 162 H LEU 162 -5.735 11.812 5.509 751 HA LEU 162 HA LEU 162 -6.075 14.371 6.914 752 1HB LEU 162 1HB LEU 162 -5.488 12.327 8.258 753 2HB LEU 162 2HB LEU 162 -3.968 12.271 7.390 754 HG LEU 162 HG LEU 162 -3.432 14.538 8.291 No H/Q in entry = 754 Start of MODEL 13 1 H1 MET 1 H1 MET 1 -1.968 15.732 4.427 2 H2 MET 1 H2 MET 1 -1.964 15.543 6.111 3 H3 MET 1 H3 MET 1 -2.536 16.979 5.415 4 HA MET 1 HA MET 1 -0.368 17.531 4.600 5 1HB MET 1 1HB MET 1 -0.734 16.912 7.502 6 2HB MET 1 2HB MET 1 0.849 17.435 6.947 7 1HG MET 1 1HG MET 1 -0.066 19.489 6.104 8 2HG MET 1 2HG MET 1 -1.701 18.958 6.484 9 1HE MET 1 1HE MET 1 1.629 18.597 8.485 10 2HE MET 1 2HE MET 1 1.732 20.289 7.991 11 3HE MET 1 3HE MET 1 1.494 19.876 9.689 12 H LYS 2 H LYS 2 1.590 16.879 3.886 13 HA LYS 2 HA LYS 2 2.361 14.115 4.534 14 1HB LYS 2 1HB LYS 2 1.829 14.350 2.183 15 2HB LYS 2 2HB LYS 2 2.915 15.725 2.040 16 1HG LYS 2 1HG LYS 2 4.671 13.942 2.931 17 2HG LYS 2 2HG LYS 2 3.523 12.829 2.186 18 1HD LYS 2 1HD LYS 2 3.867 13.691 0.063 19 2HD LYS 2 2HD LYS 2 4.475 15.229 0.674 20 1HE LYS 2 1HE LYS 2 5.921 12.599 0.954 21 2HE LYS 2 2HE LYS 2 6.222 13.765 -0.335 22 1HZ LYS 2 1HZ LYS 2 6.549 14.285 2.577 23 2HZ LYS 2 2HZ LYS 2 7.811 14.007 1.480 24 3HZ LYS 2 3HZ LYS 2 6.851 15.395 1.336 25 HA PRO 3 HA PRO 3 5.851 16.286 6.420 26 1HB PRO 3 1HB PRO 3 6.408 13.718 7.643 27 2HB PRO 3 2HB PRO 3 5.927 15.223 8.417 28 1HG PRO 3 1HG PRO 3 4.313 13.055 8.317 29 2HG PRO 3 2HG PRO 3 3.686 14.718 8.317 30 1HD PRO 3 1HD PRO 3 4.072 12.834 6.012 31 2HD PRO 3 2HD PRO 3 2.705 13.918 6.376 32 H VAL 4 H VAL 4 8.162 15.001 6.970 33 HA VAL 4 HA VAL 4 9.323 14.533 4.420 34 HB VAL 4 HB VAL 4 10.521 13.609 7.009 35 H THR 5 H THR 5 10.161 12.480 3.641 36 HA THR 5 HA THR 5 9.149 10.131 5.002 37 HB THR 5 HB THR 5 8.134 9.294 2.790 38 HG1 THR 5 HG1 THR 5 8.575 11.990 2.249 39 H LEU 6 H LEU 6 9.627 8.165 3.421 40 HA LEU 6 HA LEU 6 12.490 8.212 3.199 41 1HB LEU 6 1HB LEU 6 11.745 5.991 1.734 42 2HB LEU 6 2HB LEU 6 12.252 6.016 3.408 43 HG LEU 6 HG LEU 6 9.661 6.469 3.781 44 H TYR 7 H TYR 7 9.881 8.854 1.059 45 HA TYR 7 HA TYR 7 11.207 8.442 -1.395 46 1HB TYR 7 1HB TYR 7 8.869 10.129 -0.520 47 2HB TYR 7 2HB TYR 7 9.472 10.186 -2.168 48 HD1 TYR 7 HD1 TYR 7 9.173 8.291 -3.669 49 HD2 TYR 7 HD2 TYR 7 7.694 8.198 0.313 50 HE1 TYR 7 HE1 TYR 7 7.763 6.359 -4.245 51 HE2 TYR 7 HE2 TYR 7 6.281 6.267 -0.249 52 HH TYR 7 HH TYR 7 5.223 5.380 -2.577 53 H ASP 8 H ASP 8 10.857 11.153 0.793 54 HA ASP 8 HA ASP 8 12.103 13.106 -0.780 55 1HB ASP 8 1HB ASP 8 11.608 12.828 2.190 56 2HB ASP 8 2HB ASP 8 12.258 14.287 1.460 57 H VAL 9 H VAL 9 13.284 11.355 2.097 58 HA VAL 9 HA VAL 9 15.884 12.329 1.717 59 HB VAL 9 HB VAL 9 16.317 11.526 3.703 60 H ALA 10 H ALA 10 14.225 9.704 0.244 61 HA ALA 10 HA ALA 10 16.565 8.331 -0.692 62 1HB ALA 10 1HB ALA 10 13.777 8.275 -1.835 63 2HB ALA 10 2HB ALA 10 15.080 7.144 -2.206 64 3HB ALA 10 3HB ALA 10 14.386 7.194 -0.583 65 H GLU 11 H GLU 11 14.492 10.874 -1.795 66 HA GLU 11 HA GLU 11 15.482 11.134 -4.443 67 1HB GLU 11 1HB GLU 11 13.491 12.285 -2.836 68 2HB GLU 11 2HB GLU 11 14.526 13.616 -3.308 69 1HG GLU 11 1HG GLU 11 13.560 11.669 -5.349 70 2HG GLU 11 2HG GLU 11 12.516 12.971 -4.794 71 H TYR 12 H TYR 12 16.050 12.704 -1.416 72 HA TYR 12 HA TYR 12 17.991 14.597 -2.041 73 1HB TYR 12 1HB TYR 12 16.644 13.715 0.148 74 2HB TYR 12 2HB TYR 12 18.247 13.125 0.471 75 HD1 TYR 12 HD1 TYR 12 16.685 16.318 -0.704 76 HD2 TYR 12 HD2 TYR 12 19.543 14.398 1.782 77 HE1 TYR 12 HE1 TYR 12 17.309 18.494 0.257 78 HE2 TYR 12 HE2 TYR 12 20.173 16.543 2.743 79 HH TYR 12 HH TYR 12 20.049 18.844 2.393 80 H ALA 13 H ALA 13 18.354 11.511 -0.555 81 HA ALA 13 HA ALA 13 21.116 11.271 -0.638 82 1HB ALA 13 1HB ALA 13 19.061 9.079 -0.588 83 2HB ALA 13 2HB ALA 13 19.775 9.889 0.805 84 3HB ALA 13 3HB ALA 13 20.774 8.866 -0.227 85 H GLY 14 H GLY 14 18.767 10.630 -3.105 86 1HA GLY 14 1HA GLY 14 20.894 10.234 -5.038 87 2HA GLY 14 2HA GLY 14 19.175 10.388 -5.386 88 H VAL 15 H VAL 15 18.225 8.439 -3.652 89 HA VAL 15 HA VAL 15 19.090 5.982 -4.986 90 HB VAL 15 HB VAL 15 18.887 4.731 -2.869 91 H SER 16 H SER 16 17.338 4.261 -3.765 92 HA SER 16 HA SER 16 14.760 5.429 -4.539 93 1HB SER 16 1HB SER 16 13.995 3.262 -5.103 94 2HB SER 16 2HB SER 16 15.641 3.328 -5.726 95 HG SER 16 HG SER 16 16.329 2.116 -3.995 96 H VAL 17 H VAL 17 12.928 4.064 -3.300 97 HA VAL 17 HA VAL 17 13.209 4.875 -0.580 98 HB VAL 17 HB VAL 17 10.926 4.007 -0.336 99 H ALA 18 H ALA 18 13.831 2.065 -2.370 100 HA ALA 18 HA ALA 18 13.509 0.167 -0.283 101 1HB ALA 18 1HB ALA 18 15.106 0.030 -2.838 102 2HB ALA 18 2HB ALA 18 14.766 -1.334 -1.774 103 3HB ALA 18 3HB ALA 18 13.446 -0.519 -2.608 104 H THR 19 H THR 19 16.130 2.203 -1.502 105 HA THR 19 HA THR 19 18.178 1.006 0.027 106 HB THR 19 HB THR 19 18.440 3.862 -0.607 107 HG1 THR 19 HG1 THR 19 18.686 2.503 -2.917 108 H VAL 20 H VAL 20 16.115 3.793 0.468 109 HA VAL 20 HA VAL 20 17.144 4.578 2.969 110 HB VAL 20 HB VAL 20 14.516 5.173 1.635 111 H SER 21 H SER 21 14.335 2.522 2.169 112 HA SER 21 HA SER 21 13.450 2.144 4.773 113 1HB SER 21 1HB SER 21 13.250 0.525 2.257 114 2HB SER 21 2HB SER 21 12.730 -0.186 3.783 115 HG SER 21 HG SER 21 11.443 1.812 4.016 116 H ARG 22 H ARG 22 16.084 0.688 2.962 117 HA ARG 22 HA ARG 22 16.719 -1.365 4.781 118 1HB ARG 22 1HB ARG 22 18.103 0.030 2.627 119 2HB ARG 22 2HB ARG 22 19.156 -0.606 3.859 120 1HG ARG 22 1HG ARG 22 19.003 -2.638 3.025 121 2HG ARG 22 2HG ARG 22 17.252 -2.591 3.149 122 1HD ARG 22 1HD ARG 22 17.231 -1.322 0.980 123 2HD ARG 22 2HD ARG 22 18.955 -1.663 0.849 124 HE ARG 22 HE ARG 22 17.783 -4.102 1.253 125 1HH1 ARG 22 1HH1 ARG 22 17.429 -1.536 -1.092 126 1HH2 ARG 22 1HH2 ARG 22 17.152 -5.509 -0.415 127 2HH1 ARG 22 2HH1 ARG 22 16.961 -2.594 -2.381 128 2HH2 ARG 22 2HH2 ARG 22 16.802 -4.874 -1.988 129 H VAL 23 H VAL 23 17.919 1.920 4.465 130 HA VAL 23 HA VAL 23 19.682 1.803 6.689 131 HB VAL 23 HB VAL 23 18.404 4.250 5.474 132 H VAL 24 H VAL 24 16.380 2.900 6.237 133 HA VAL 24 HA VAL 24 15.829 3.756 8.834 134 HB VAL 24 HB VAL 24 14.261 2.784 6.491 135 H ASN 25 H ASN 25 16.009 0.668 7.312 136 HA ASN 25 HA ASN 25 15.092 -0.780 9.699 137 1HB ASN 25 1HB ASN 25 15.580 -1.495 6.851 138 2HB ASN 25 2HB ASN 25 15.778 -2.766 8.050 139 1HD2 ASN 25 1HD2 ASN 25 13.612 -0.904 6.233 140 1HD2 ASN 25 1HD2 ASN 25 12.137 -1.564 6.881 141 H GLN 26 H GLN 26 17.715 0.738 9.372 142 HA GLN 26 HA GLN 26 19.549 0.489 10.804 143 1HB GLN 26 1HB GLN 26 19.128 -2.415 10.370 144 2HB GLN 26 2HB GLN 26 20.679 -1.828 10.935 145 1HG GLN 26 1HG GLN 26 18.444 -2.448 12.455 146 2HG GLN 26 2HG GLN 26 19.919 -1.669 13.010 147 H ALA 27 H ALA 27 19.125 -0.904 7.691 148 HA ALA 27 HA ALA 27 20.176 -0.133 5.768 149 1HB ALA 27 1HB ALA 27 22.621 0.247 7.487 150 2HB ALA 27 2HB ALA 27 21.609 1.509 6.791 151 3HB ALA 27 3HB ALA 27 22.570 0.469 5.739 152 H SER 28 H SER 28 22.547 -1.862 7.752 153 HA SER 28 HA SER 28 23.495 -3.907 7.561 154 1HB SER 28 1HB SER 28 20.872 -4.664 6.364 155 2HB SER 28 2HB SER 28 22.013 -5.756 7.135 156 HG SER 28 HG SER 28 21.686 -4.209 9.015 157 H HIS 29 H HIS 29 21.544 -4.496 4.690 158 HA HIS 29 HA HIS 29 23.871 -5.148 3.187 159 1HB HIS 29 1HB HIS 29 20.963 -5.163 2.614 160 2HB HIS 29 2HB HIS 29 22.040 -5.030 1.233 161 HD1 HIS 29 HD1 HIS 29 20.995 -7.456 0.655 162 HD2 HIS 29 HD2 HIS 29 23.547 -7.250 3.927 163 HE1 HIS 29 HE1 HIS 29 21.752 -9.819 1.070 164 HE2 HIS 29 HE2 HIS 29 23.394 -9.647 2.970 165 H VAL 30 H VAL 30 22.343 -2.225 3.806 166 HA VAL 30 HA VAL 30 23.030 -0.876 1.400 167 HB VAL 30 HB VAL 30 21.842 -0.138 3.982 168 H SER 31 H SER 31 24.961 0.031 0.870 169 HA SER 31 HA SER 31 27.220 -0.763 2.307 170 1HB SER 31 1HB SER 31 28.155 1.223 0.678 171 2HB SER 31 2HB SER 31 27.846 -0.432 0.143 172 HG SER 31 HG SER 31 26.683 0.735 -1.250 173 H ALA 32 H ALA 32 28.773 0.507 3.412 174 HA ALA 32 HA ALA 32 27.864 2.147 5.412 175 1HB ALA 32 1HB ALA 32 30.611 2.122 4.171 176 2HB ALA 32 2HB ALA 32 30.043 1.101 5.493 177 3HB ALA 32 3HB ALA 32 30.208 2.842 5.731 178 H LYS 33 H LYS 33 29.286 3.171 2.315 179 HA LYS 33 HA LYS 33 29.161 5.919 2.772 180 1HB LYS 33 1HB LYS 33 29.952 4.264 0.676 181 2HB LYS 33 2HB LYS 33 28.705 5.308 0.011 182 1HG LYS 33 1HG LYS 33 31.034 6.362 1.580 183 2HG LYS 33 2HG LYS 33 31.069 6.159 -0.169 184 1HD LYS 33 1HD LYS 33 29.621 7.886 -0.537 185 2HD LYS 33 2HD LYS 33 28.773 7.635 0.991 186 1HE LYS 33 1HE LYS 33 31.581 8.699 0.851 187 2HE LYS 33 2HE LYS 33 30.165 9.747 0.790 188 1HZ LYS 33 1HZ LYS 33 29.474 8.774 2.940 189 2HZ LYS 33 2HZ LYS 33 30.941 7.934 3.010 190 3HZ LYS 33 3HZ LYS 33 30.932 9.625 3.026 191 H THR 34 H THR 34 26.790 3.729 1.352 192 HA THR 34 HA THR 34 24.911 5.732 0.703 193 HB THR 34 HB THR 34 24.395 2.850 1.237 194 HG1 THR 34 HG1 THR 34 25.505 2.547 -0.538 195 H ARG 35 H ARG 35 25.263 3.591 3.470 196 HA ARG 35 HA ARG 35 23.056 4.245 4.921 197 1HB ARG 35 1HB ARG 35 24.626 2.570 5.682 198 2HB ARG 35 2HB ARG 35 25.871 3.784 5.926 199 1HG ARG 35 1HG ARG 35 23.320 4.033 7.435 200 2HG ARG 35 2HG ARG 35 24.491 2.828 7.938 201 1HD ARG 35 1HD ARG 35 26.169 4.523 8.179 202 2HD ARG 35 2HD ARG 35 25.061 5.740 7.573 203 HE ARG 35 HE ARG 35 23.846 5.643 9.595 204 1HH1 ARG 35 1HH1 ARG 35 26.681 3.583 9.603 205 1HH2 ARG 35 1HH2 ARG 35 23.896 5.448 11.853 206 2HH1 ARG 35 2HH1 ARG 35 26.730 3.441 11.327 207 2HH2 ARG 35 2HH2 ARG 35 25.134 4.503 12.615 208 H GLU 36 H GLU 36 26.023 6.051 4.662 209 HA GLU 36 HA GLU 36 25.203 8.091 6.507 210 1HB GLU 36 1HB GLU 36 27.511 7.891 4.626 211 2HB GLU 36 2HB GLU 36 27.246 9.278 5.651 212 1HG GLU 36 1HG GLU 36 27.766 8.145 7.547 213 2HG GLU 36 2HG GLU 36 27.340 6.583 6.860 214 H LYS 37 H LYS 37 25.177 7.524 3.117 215 HA LYS 37 HA LYS 37 24.658 10.012 2.040 216 1HB LYS 37 1HB LYS 37 25.157 7.958 0.762 217 2HB LYS 37 2HB LYS 37 23.595 7.311 1.224 218 1HG LYS 37 1HG LYS 37 22.672 9.455 0.116 219 2HG LYS 37 2HG LYS 37 24.226 9.459 -0.723 220 1HD LYS 37 1HD LYS 37 22.405 7.060 -0.616 221 2HD LYS 37 2HD LYS 37 22.339 8.265 -1.907 222 1HE LYS 37 1HE LYS 37 24.592 6.410 -1.199 223 2HE LYS 37 2HE LYS 37 23.684 6.486 -2.706 224 1HZ LYS 37 1HZ LYS 37 25.529 8.586 -1.697 225 2HZ LYS 37 2HZ LYS 37 25.869 7.492 -2.940 226 3HZ LYS 37 3HZ LYS 37 24.660 8.654 -3.144 227 H VAL 38 H VAL 38 22.384 7.600 3.100 228 HA VAL 38 HA VAL 38 20.167 9.363 2.627 229 HB VAL 38 HB VAL 38 18.810 7.638 2.541 230 H GLU 39 H GLU 39 21.902 8.166 5.482 231 HA GLU 39 HA GLU 39 20.067 9.043 7.381 232 1HB GLU 39 1HB GLU 39 23.022 8.564 7.370 233 2HB GLU 39 2HB GLU 39 22.206 9.168 8.790 234 1HG GLU 39 1HG GLU 39 20.700 7.004 7.869 235 2HG GLU 39 2HG GLU 39 22.391 6.510 7.810 236 H ALA 40 H ALA 40 22.669 10.621 5.665 237 HA ALA 40 HA ALA 40 22.590 13.047 7.064 238 1HB ALA 40 1HB ALA 40 24.419 12.357 5.507 239 2HB ALA 40 2HB ALA 40 23.328 12.695 4.165 240 3HB ALA 40 3HB ALA 40 23.833 13.999 5.241 241 H ALA 41 H ALA 41 20.831 11.768 4.353 242 HA ALA 41 HA ALA 41 19.438 14.111 3.634 243 1HB ALA 41 1HB ALA 41 18.697 11.212 3.235 244 2HB ALA 41 2HB ALA 41 17.934 12.582 2.426 245 3HB ALA 41 3HB ALA 41 19.631 12.211 2.120 246 H MET 42 H MET 42 18.633 11.320 5.653 247 HA MET 42 HA MET 42 16.103 12.021 6.473 248 1HB MET 42 1HB MET 42 18.294 10.669 8.043 249 2HB MET 42 2HB MET 42 16.614 10.718 8.521 250 1HG MET 42 1HG MET 42 16.029 9.467 6.481 251 2HG MET 42 2HG MET 42 17.754 9.348 6.107 252 1HE MET 42 1HE MET 42 15.807 6.952 6.293 253 2HE MET 42 2HE MET 42 17.496 6.468 6.151 254 3HE MET 42 3HE MET 42 16.481 5.763 7.407 255 H ALA 43 H ALA 43 19.207 12.896 7.664 256 HA ALA 43 HA ALA 43 18.461 14.244 10.014 257 1HB ALA 43 1HB ALA 43 20.933 14.620 8.353 258 2HB ALA 43 2HB ALA 43 20.712 13.404 9.612 259 3HB ALA 43 3HB ALA 43 20.722 15.119 10.033 260 H GLU 44 H GLU 44 19.178 15.541 6.785 261 HA GLU 44 HA GLU 44 18.999 18.228 7.484 262 1HB GLU 44 1HB GLU 44 18.379 17.002 4.847 263 2HB GLU 44 2HB GLU 44 18.844 18.662 5.147 264 1HG GLU 44 1HG GLU 44 20.840 17.156 6.316 265 2HG GLU 44 2HG GLU 44 20.451 16.326 4.818 266 H LEU 45 H LEU 45 16.642 16.070 6.058 267 HA LEU 45 HA LEU 45 14.568 18.021 6.017 268 1HB LEU 45 1HB LEU 45 14.170 15.070 5.765 269 2HB LEU 45 2HB LEU 45 13.323 16.373 4.975 270 HG LEU 45 HG LEU 45 16.201 16.058 4.318 271 H ASN 46 H ASN 46 15.679 15.671 8.269 272 HA ASN 46 HA ASN 46 15.098 15.144 10.386 273 1HB ASN 46 1HB ASN 46 14.520 17.457 10.798 274 2HB ASN 46 2HB ASN 46 12.972 17.215 10.027 275 1HD2 ASN 46 1HD2 ASN 46 14.926 16.426 12.762 276 1HD2 ASN 46 1HD2 ASN 46 13.616 16.022 13.816 277 H TYR 47 H TYR 47 14.698 13.320 8.935 278 HA TYR 47 HA TYR 47 12.029 12.547 8.290 279 1HB TYR 47 1HB TYR 47 14.007 11.834 6.980 280 2HB TYR 47 2HB TYR 47 14.541 10.875 8.354 281 HD1 TYR 47 HD1 TYR 47 14.501 8.722 7.286 282 HD2 TYR 47 HD2 TYR 47 11.023 11.172 7.289 283 HE1 TYR 47 HE1 TYR 47 13.182 6.847 6.444 284 HE2 TYR 47 HE2 TYR 47 9.696 9.279 6.477 285 HH TYR 47 HH TYR 47 10.684 6.170 6.519 286 H ILE 48 H ILE 48 10.614 11.402 9.355 287 HA ILE 48 HA ILE 48 11.422 9.742 11.633 288 HB ILE 48 HB ILE 48 9.041 11.618 11.585 289 HA PRO 49 HA PRO 49 9.003 7.108 8.935 290 1HB PRO 49 1HB PRO 49 9.589 4.770 10.025 291 2HB PRO 49 2HB PRO 49 10.827 5.705 9.169 292 1HG PRO 49 1HG PRO 49 10.301 5.533 12.111 293 2HG PRO 49 2HG PRO 49 11.827 5.376 11.232 294 1HD PRO 49 1HD PRO 49 11.037 7.691 12.431 295 2HD PRO 49 2HD PRO 49 12.069 7.660 10.985 296 H ASN 50 H ASN 50 7.072 6.302 8.945 297 HA ASN 50 HA ASN 50 5.405 6.481 11.228 298 1HB ASN 50 1HB ASN 50 5.027 5.830 8.341 299 2HB ASN 50 2HB ASN 50 3.793 5.299 9.484 300 1HD2 ASN 50 1HD2 ASN 50 4.773 7.729 7.514 301 1HD2 ASN 50 1HD2 ASN 50 3.825 9.010 8.201 302 H ARG 51 H ARG 51 5.351 5.057 12.717 303 HA ARG 51 HA ARG 51 6.523 2.548 12.689 304 1HB ARG 51 1HB ARG 51 5.802 4.036 14.666 305 2HB ARG 51 2HB ARG 51 4.263 3.207 14.508 306 1HG ARG 51 1HG ARG 51 5.532 2.098 16.187 307 2HG ARG 51 2HG ARG 51 5.463 1.047 14.784 308 1HD ARG 51 1HD ARG 51 7.700 2.244 14.189 309 2HD ARG 51 2HD ARG 51 7.739 2.562 15.911 310 HE ARG 51 HE ARG 51 7.373 0.004 16.048 311 1HH1 ARG 51 1HH1 ARG 51 9.343 1.687 13.683 312 1HH2 ARG 51 1HH2 ARG 51 8.814 -1.734 15.767 313 2HH1 ARG 51 2HH1 ARG 51 10.438 0.361 13.471 314 2HH2 ARG 51 2HH2 ARG 51 10.137 -1.588 14.651 315 H CYS 52 H CYS 52 3.418 3.462 11.486 316 HA CYS 52 HA CYS 52 2.323 0.771 11.732 317 1HB CYS 52 1HB CYS 52 1.105 3.166 11.719 318 2HB CYS 52 2HB CYS 52 1.036 2.792 10.002 319 H ALA 53 H ALA 53 3.229 2.976 9.148 320 HA ALA 53 HA ALA 53 2.979 1.273 7.007 321 1HB ALA 53 1HB ALA 53 3.606 3.640 6.831 322 2HB ALA 53 2HB ALA 53 5.214 3.255 7.440 323 3HB ALA 53 3HB ALA 53 4.679 2.606 5.890 324 H GLN 54 H GLN 54 5.606 1.522 9.332 325 HA GLN 54 HA GLN 54 7.349 -0.373 8.184 326 1HB GLN 54 1HB GLN 54 7.001 0.532 11.041 327 2HB GLN 54 2HB GLN 54 8.374 -0.368 10.421 328 1HG GLN 54 1HG GLN 54 8.615 1.580 8.757 329 2HG GLN 54 2HG GLN 54 7.592 2.453 9.889 330 H GLN 55 H GLN 55 4.879 -0.538 10.682 331 HA GLN 55 HA GLN 55 5.207 -3.248 11.346 332 1HB GLN 55 1HB GLN 55 2.955 -1.311 11.665 333 2HB GLN 55 2HB GLN 55 2.734 -2.995 12.096 334 1HG GLN 55 1HG GLN 55 4.141 -0.865 13.481 335 2HG GLN 55 2HG GLN 55 3.460 -2.368 14.110 336 H LEU 56 H LEU 56 2.979 -1.669 9.115 337 HA LEU 56 HA LEU 56 1.707 -4.001 8.204 338 1HB LEU 56 1HB LEU 56 1.132 -1.495 7.940 339 2HB LEU 56 2HB LEU 56 2.159 -1.570 6.517 340 HG LEU 56 HG LEU 56 0.706 -3.293 5.551 341 H ALA 57 H ALA 57 4.051 -2.034 6.508 342 HA ALA 57 HA ALA 57 4.577 -3.805 4.423 343 1HB ALA 57 1HB ALA 57 5.223 -1.409 4.435 344 2HB ALA 57 2HB ALA 57 6.561 -1.812 5.507 345 3HB ALA 57 3HB ALA 57 6.504 -2.481 3.877 346 H GLY 58 H GLY 58 5.997 -3.731 7.626 347 1HA GLY 58 1HA GLY 58 7.638 -5.040 8.578 348 2HA GLY 58 2HA GLY 58 8.118 -5.538 6.962 349 H LYS 59 H LYS 59 4.826 -5.936 7.436 350 HA LYS 59 HA LYS 59 5.114 -8.649 8.440 351 1HB LYS 59 1HB LYS 59 3.475 -6.969 9.447 352 2HB LYS 59 2HB LYS 59 2.539 -7.210 7.986 353 1HG LYS 59 1HG LYS 59 2.760 -9.731 8.612 354 2HG LYS 59 2HG LYS 59 3.044 -9.086 10.231 355 1HD LYS 59 1HD LYS 59 0.727 -9.489 10.098 356 2HD LYS 59 2HD LYS 59 0.909 -7.745 9.876 357 1HE LYS 59 1HE LYS 59 -0.674 -8.768 8.266 358 2HE LYS 59 2HE LYS 59 0.700 -7.975 7.499 359 1HZ LYS 59 1HZ LYS 59 1.071 -10.796 8.053 360 2HZ LYS 59 2HZ LYS 59 -0.120 -10.437 6.898 361 3HZ LYS 59 3HZ LYS 59 1.468 -9.889 6.675 362 H GLN 60 H GLN 60 6.082 -8.439 5.926 363 HA GLN 60 HA GLN 60 4.284 -8.746 3.823 364 1HB GLN 60 1HB GLN 60 7.074 -9.764 4.133 365 2HB GLN 60 2HB GLN 60 6.193 -9.744 2.632 366 1HG GLN 60 1HG GLN 60 6.579 -7.595 2.287 367 2HG GLN 60 2HG GLN 60 6.309 -7.173 3.972 368 H SER 61 H SER 61 6.393 -11.368 4.794 369 HA SER 61 HA SER 61 4.323 -13.289 4.120 370 1HB SER 61 1HB SER 61 6.772 -14.478 5.030 371 2HB SER 61 2HB SER 61 6.055 -14.518 3.423 372 HG SER 61 HG SER 61 7.225 -12.810 2.822 373 H LEU 62 H LEU 62 4.508 -11.630 6.721 374 HA LEU 62 HA LEU 62 4.689 -13.779 8.678 375 1HB LEU 62 1HB LEU 62 4.528 -10.815 8.886 376 2HB LEU 62 2HB LEU 62 4.187 -11.816 10.278 377 HG LEU 62 HG LEU 62 6.519 -12.856 9.798 378 H1 MET 101 H1 MET 101 1.953 -15.361 5.766 379 H2 MET 101 H2 MET 101 1.877 -15.068 7.435 380 H3 MET 101 H3 MET 101 2.447 -16.556 6.852 381 HA MET 101 HA MET 101 0.307 -17.120 5.988 382 1HB MET 101 1HB MET 101 0.531 -16.271 8.850 383 2HB MET 101 2HB MET 101 -1.013 -16.858 8.247 384 1HG MET 101 1HG MET 101 -0.130 -18.980 7.749 385 2HG MET 101 2HG MET 101 1.531 -18.417 7.930 386 1HE MET 101 1HE MET 101 -1.625 -17.768 10.198 387 2HE MET 101 2HE MET 101 -1.774 -19.470 9.759 388 3HE MET 101 3HE MET 101 -1.422 -19.015 11.428 389 H LYS 102 H LYS 102 -1.888 -16.589 5.619 390 HA LYS 102 HA LYS 102 -2.503 -13.719 5.837 391 1HB LYS 102 1HB LYS 102 -1.940 -14.249 3.505 392 2HB LYS 102 2HB LYS 102 -3.175 -15.502 3.489 393 1HG LYS 102 1HG LYS 102 -4.711 -13.469 4.231 394 2HG LYS 102 2HG LYS 102 -3.459 -12.550 3.395 395 1HD LYS 102 1HD LYS 102 -4.028 -13.378 1.353 396 2HD LYS 102 2HD LYS 102 -4.529 -14.936 2.006 397 1HE LYS 102 1HE LYS 102 -6.081 -12.389 2.390 398 2HE LYS 102 2HE LYS 102 -6.383 -13.523 1.077 399 1HZ LYS 102 1HZ LYS 102 -6.819 -15.245 2.761 400 2HZ LYS 102 2HZ LYS 102 -6.618 -14.096 3.990 401 3HZ LYS 102 3HZ LYS 102 -7.897 -13.941 2.886 402 HA PRO 103 HA PRO 103 -5.964 -15.740 7.954 403 1HB PRO 103 1HB PRO 103 -6.463 -13.050 8.951 404 2HB PRO 103 2HB PRO 103 -6.070 -14.506 9.857 405 1HG PRO 103 1HG PRO 103 -4.345 -12.440 9.618 406 2HG PRO 103 2HG PRO 103 -3.801 -14.126 9.745 407 1HD PRO 103 1HD PRO 103 -4.040 -12.386 7.314 408 2HD PRO 103 2HD PRO 103 -2.763 -13.544 7.760 409 H VAL 104 H VAL 104 -8.290 -14.548 8.376 410 HA VAL 104 HA VAL 104 -9.489 -14.241 5.841 411 HB VAL 104 HB VAL 104 -10.659 -13.060 8.329 412 H THR 105 H THR 105 -10.254 -12.319 4.832 413 HA THR 105 HA THR 105 -9.333 -9.814 5.995 414 HB THR 105 HB THR 105 -8.321 -9.141 3.740 415 HG1 THR 105 HG1 THR 105 -8.690 -11.900 3.397 416 H LEU 106 H LEU 106 -9.860 -7.999 4.324 417 HA LEU 106 HA LEU 106 -12.717 -8.095 4.095 418 1HB LEU 106 1HB LEU 106 -11.993 -5.986 2.465 419 2HB LEU 106 2HB LEU 106 -12.484 -5.889 4.141 420 HG LEU 106 HG LEU 106 -9.909 -6.284 4.553 421 H TYR 107 H TYR 107 -10.095 -8.861 2.008 422 HA TYR 107 HA TYR 107 -11.410 -8.671 -0.475 423 1HB TYR 107 1HB TYR 107 -9.059 -10.236 0.554 424 2HB TYR 107 2HB TYR 107 -9.662 -10.480 -1.078 425 HD1 TYR 107 HD1 TYR 107 -9.430 -8.707 -2.764 426 HD2 TYR 107 HD2 TYR 107 -7.848 -8.267 1.159 427 HE1 TYR 107 HE1 TYR 107 -8.030 -6.846 -3.548 428 HE2 TYR 107 HE2 TYR 107 -6.441 -6.399 0.384 429 HH TYR 107 HH TYR 107 -5.441 -5.749 -2.060 430 H ASP 108 H ASP 108 -11.048 -11.167 1.945 431 HA ASP 108 HA ASP 108 -12.228 -13.290 0.523 432 1HB ASP 108 1HB ASP 108 -11.749 -12.748 3.463 433 2HB ASP 108 2HB ASP 108 -12.386 -14.272 2.867 434 H VAL 109 H VAL 109 -13.466 -11.299 3.209 435 HA VAL 109 HA VAL 109 -16.042 -12.374 2.921 436 HB VAL 109 HB VAL 109 -16.498 -11.423 4.835 437 H ALA 110 H ALA 110 -14.437 -9.851 1.240 438 HA ALA 110 HA ALA 110 -16.812 -8.603 0.208 439 1HB ALA 110 1HB ALA 110 -14.016 -8.563 -0.910 440 2HB ALA 110 2HB ALA 110 -15.339 -7.497 -1.382 441 3HB ALA 110 3HB ALA 110 -14.671 -7.406 0.251 442 H GLU 111 H GLU 111 -14.695 -11.196 -0.651 443 HA GLU 111 HA GLU 111 -15.630 -11.713 -3.282 444 1HB GLU 111 1HB GLU 111 -13.658 -12.660 -1.542 445 2HB GLU 111 2HB GLU 111 -14.692 -14.040 -1.840 446 1HG GLU 111 1HG GLU 111 -13.846 -12.452 -4.185 447 2HG GLU 111 2HG GLU 111 -12.637 -13.452 -3.391 448 H TYR 112 H TYR 112 -16.233 -12.962 -0.121 449 HA TYR 112 HA TYR 112 -18.135 -14.937 -0.616 450 1HB TYR 112 1HB TYR 112 -16.796 -13.873 1.502 451 2HB TYR 112 2HB TYR 112 -18.417 -13.308 1.792 452 HD1 TYR 112 HD1 TYR 112 -16.836 -16.540 0.748 453 HD2 TYR 112 HD2 TYR 112 -19.604 -14.529 3.265 454 HE1 TYR 112 HE1 TYR 112 -17.407 -18.678 1.822 455 HE2 TYR 112 HE2 TYR 112 -20.182 -16.634 4.338 456 HH TYR 112 HH TYR 112 -20.110 -18.995 3.939 457 H ALA 113 H ALA 113 -18.561 -11.752 0.667 458 HA ALA 113 HA ALA 113 -21.316 -11.576 0.557 459 1HB ALA 113 1HB ALA 113 -20.073 -10.080 1.919 460 2HB ALA 113 2HB ALA 113 -20.993 -9.119 0.760 461 3HB ALA 113 3HB ALA 113 -19.268 -9.385 0.512 462 H GLY 114 H GLY 114 -19.023 -11.130 -1.982 463 1HA GLY 114 1HA GLY 114 -21.180 -10.866 -3.896 464 2HA GLY 114 2HA GLY 114 -19.468 -11.047 -4.262 465 H VAL 115 H VAL 115 -18.466 -8.967 -2.727 466 HA VAL 115 HA VAL 115 -19.400 -6.638 -4.219 467 HB VAL 115 HB VAL 115 -19.133 -5.216 -2.213 468 H SER 116 H SER 116 -17.580 -4.863 -3.012 469 HA SER 116 HA SER 116 -15.024 -6.072 -3.809 470 1HB SER 116 1HB SER 116 -14.294 -3.956 -4.594 471 2HB SER 116 2HB SER 116 -15.944 -4.110 -5.189 472 HG SER 116 HG SER 116 -16.531 -2.497 -3.969 473 H VAL 117 H VAL 117 -13.176 -4.630 -2.727 474 HA VAL 117 HA VAL 117 -13.433 -5.120 0.065 475 HB VAL 117 HB VAL 117 -11.155 -4.229 0.193 476 H ALA 118 H ALA 118 -14.207 -2.577 -1.989 477 HA ALA 118 HA ALA 118 -13.819 -0.430 -0.151 478 1HB ALA 118 1HB ALA 118 -15.473 -0.581 -2.664 479 2HB ALA 118 2HB ALA 118 -15.093 0.892 -1.770 480 3HB ALA 118 3HB ALA 118 -13.803 -0.031 -2.543 481 H THR 119 H THR 119 -16.463 -2.638 -1.036 482 HA THR 119 HA THR 119 -18.438 -1.240 0.422 483 HB THR 119 HB THR 119 -18.803 -4.125 0.108 484 HG1 THR 119 HG1 THR 119 -18.945 -2.967 -2.352 485 H VAL 120 H VAL 120 -16.406 -4.011 1.058 486 HA VAL 120 HA VAL 120 -17.353 -4.568 3.637 487 HB VAL 120 HB VAL 120 -14.725 -5.237 2.332 488 H SER 121 H SER 121 -14.594 -2.548 2.597 489 HA SER 121 HA SER 121 -13.677 -1.938 5.144 490 1HB SER 121 1HB SER 121 -13.481 -0.606 2.476 491 2HB SER 121 2HB SER 121 -13.002 0.302 3.910 492 HG SER 121 HG SER 121 -11.691 -1.634 4.412 493 H ARG 122 H ARG 122 -16.384 -0.752 3.275 494 HA ARG 122 HA ARG 122 -16.976 1.530 4.839 495 1HB ARG 122 1HB ARG 122 -18.381 -0.082 2.868 496 2HB ARG 122 2HB ARG 122 -19.430 0.630 4.060 497 1HG ARG 122 1HG ARG 122 -19.306 2.619 3.112 498 2HG ARG 122 2HG ARG 122 -17.550 2.557 3.089 499 1HD ARG 122 1HD ARG 122 -17.702 1.140 1.036 500 2HD ARG 122 2HD ARG 122 -19.440 1.453 1.033 501 HE ARG 122 HE ARG 122 -18.448 3.938 1.104 502 1HH1 ARG 122 1HH1 ARG 122 -17.644 1.190 -0.899 503 1HH2 ARG 122 1HH2 ARG 122 -17.808 5.222 -0.674 504 2HH1 ARG 122 2HH1 ARG 122 -17.161 2.151 -2.259 505 2HH2 ARG 122 2HH2 ARG 122 -17.246 4.459 -2.128 506 H VAL 123 H VAL 123 -18.263 -1.740 4.863 507 HA VAL 123 HA VAL 123 -19.918 -1.400 7.111 508 HB VAL 123 HB VAL 123 -18.699 -3.965 6.112 509 H VAL 124 H VAL 124 -16.631 -2.568 6.715 510 HA VAL 124 HA VAL 124 -16.047 -3.152 9.377 511 HB VAL 124 HB VAL 124 -14.508 -2.441 6.928 512 H ASN 125 H ASN 125 -16.177 -0.220 7.543 513 HA ASN 125 HA ASN 125 -15.238 1.455 9.762 514 1HB ASN 125 1HB ASN 125 -15.800 1.877 6.871 515 2HB ASN 125 2HB ASN 125 -15.986 3.260 7.934 516 1HD2 ASN 125 1HD2 ASN 125 -13.801 1.106 6.403 517 1HD2 ASN 125 1HD2 ASN 125 -12.339 1.922 6.877 518 H GLN 126 H GLN 126 -17.872 -0.088 9.631 519 HA GLN 126 HA GLN 126 -19.669 0.287 11.068 520 1HB GLN 126 1HB GLN 126 -19.249 3.146 10.399 521 2HB GLN 126 2HB GLN 126 -20.781 2.610 11.061 522 1HG GLN 126 1HG GLN 126 -18.470 3.314 12.441 523 2HG GLN 126 2HG GLN 126 -19.943 2.631 13.115 524 H ALA 127 H ALA 127 -19.308 1.395 7.836 525 HA ALA 127 HA ALA 127 -20.405 0.435 6.032 526 1HB ALA 127 1HB ALA 127 -22.858 0.284 7.774 527 2HB ALA 127 2HB ALA 127 -22.753 -0.222 6.091 528 3HB ALA 127 3HB ALA 127 -21.814 -1.065 7.323 529 H SER 128 H SER 128 -22.668 2.441 7.909 530 HA SER 128 HA SER 128 -23.679 4.405 7.445 531 1HB SER 128 1HB SER 128 -21.020 4.988 6.217 532 2HB SER 128 2HB SER 128 -22.217 6.204 6.644 533 HG SER 128 HG SER 128 -21.914 4.775 8.791 534 H HIS 129 H HIS 129 -21.771 4.698 4.526 535 HA HIS 129 HA HIS 129 -24.098 5.188 2.974 536 1HB HIS 129 1HB HIS 129 -21.187 5.128 2.399 537 2HB HIS 129 2HB HIS 129 -22.286 4.912 1.040 538 HD1 HIS 129 HD1 HIS 129 -21.228 7.295 0.290 539 HD2 HIS 129 HD2 HIS 129 -23.734 7.311 3.602 540 HE1 HIS 129 HE1 HIS 129 -21.985 9.677 0.556 541 HE2 HIS 129 HE2 HIS 129 -23.629 9.622 2.459 542 H VAL 130 H VAL 130 -22.648 2.331 3.909 543 HA VAL 130 HA VAL 130 -23.290 0.750 1.626 544 HB VAL 130 HB VAL 130 -22.141 0.263 4.271 545 H SER 131 H SER 131 -25.241 -0.138 1.119 546 HA SER 131 HA SER 131 -27.504 0.714 2.498 547 1HB SER 131 1HB SER 131 -28.364 -1.432 0.986 548 2HB SER 131 2HB SER 131 -28.195 0.225 0.394 549 HG SER 131 HG SER 131 -27.075 -1.336 -0.901 550 H ALA 132 H ALA 132 -29.051 -0.508 3.680 551 HA ALA 132 HA ALA 132 -28.112 -1.962 5.800 552 1HB ALA 132 1HB ALA 132 -30.303 -0.980 5.816 553 2HB ALA 132 2HB ALA 132 -30.854 -2.098 4.568 554 3HB ALA 132 3HB ALA 132 -30.432 -2.702 6.170 555 H LYS 133 H LYS 133 -29.533 -3.321 2.822 556 HA LYS 133 HA LYS 133 -29.320 -5.998 3.556 557 1HB LYS 133 1HB LYS 133 -30.170 -4.603 1.319 558 2HB LYS 133 2HB LYS 133 -28.859 -5.622 0.740 559 1HG LYS 133 1HG LYS 133 -31.123 -6.677 2.398 560 2HG LYS 133 2HG LYS 133 -31.171 -6.608 0.641 561 1HD LYS 133 1HD LYS 133 -29.661 -8.290 0.393 562 2HD LYS 133 2HD LYS 133 -28.787 -7.860 1.865 563 1HE LYS 133 1HE LYS 133 -31.531 -9.091 1.901 564 2HE LYS 133 2HE LYS 133 -30.057 -10.056 1.899 565 1HZ LYS 133 1HZ LYS 133 -30.744 -8.014 3.948 566 2HZ LYS 133 2HZ LYS 133 -30.931 -9.685 4.138 567 3HZ LYS 133 3HZ LYS 133 -29.385 -9.022 3.953 568 H THR 134 H THR 134 -26.999 -3.884 1.998 569 HA THR 134 HA THR 134 -25.038 -5.913 1.587 570 HB THR 134 HB THR 134 -24.769 -2.942 1.491 571 HG1 THR 134 HG1 THR 134 -25.389 -3.076 -0.573 572 H ARG 135 H ARG 135 -26.050 -4.500 4.269 573 HA ARG 135 HA ARG 135 -23.497 -3.801 5.470 574 1HB ARG 135 1HB ARG 135 -25.333 -2.284 6.033 575 2HB ARG 135 2HB ARG 135 -26.328 -3.631 6.547 576 1HG ARG 135 1HG ARG 135 -23.722 -3.150 7.912 577 2HG ARG 135 2HG ARG 135 -25.108 -2.158 8.318 578 1HD ARG 135 1HD ARG 135 -26.372 -4.101 8.905 579 2HD ARG 135 2HD ARG 135 -25.071 -5.143 8.369 580 HE ARG 135 HE ARG 135 -23.791 -4.525 10.259 581 1HH1 ARG 135 1HH1 ARG 135 -27.019 -3.148 10.260 582 1HH2 ARG 135 1HH2 ARG 135 -23.776 -4.070 12.491 583 2HH1 ARG 135 2HH1 ARG 135 -27.006 -2.799 11.958 584 2HH2 ARG 135 2HH2 ARG 135 -25.159 -3.327 13.232 585 H GLU 136 H GLU 136 -26.225 -5.881 5.545 586 HA GLU 136 HA GLU 136 -25.231 -7.667 7.561 587 1HB GLU 136 1HB GLU 136 -27.576 -7.894 5.717 588 2HB GLU 136 2HB GLU 136 -27.254 -8.967 7.053 589 1HG GLU 136 1HG GLU 136 -27.837 -7.418 8.606 590 2HG GLU 136 2HG GLU 136 -27.482 -6.067 7.545 591 H LYS 137 H LYS 137 -25.328 -7.362 4.136 592 HA LYS 137 HA LYS 137 -24.816 -9.911 3.220 593 1HB LYS 137 1HB LYS 137 -25.327 -7.994 1.777 594 2HB LYS 137 2HB LYS 137 -23.764 -7.290 2.170 595 1HG LYS 137 1HG LYS 137 -22.838 -9.536 1.266 596 2HG LYS 137 2HG LYS 137 -24.398 -9.621 0.442 597 1HD LYS 137 1HD LYS 137 -22.569 -7.235 0.293 598 2HD LYS 137 2HD LYS 137 -22.517 -8.562 -0.866 599 1HE LYS 137 1HE LYS 137 -24.783 -6.665 -0.334 600 2HE LYS 137 2HE LYS 137 -23.842 -6.826 -1.811 601 1HZ LYS 137 1HZ LYS 137 -24.753 -9.106 -2.028 602 2HZ LYS 137 2HZ LYS 137 -25.765 -8.798 -0.710 603 3HZ LYS 137 3HZ LYS 137 -25.931 -7.896 -2.130 604 H VAL 138 H VAL 138 -22.518 -7.460 4.110 605 HA VAL 138 HA VAL 138 -20.322 -9.266 3.677 606 HB VAL 138 HB VAL 138 -18.920 -7.564 3.545 607 H GLU 139 H GLU 139 -22.069 -7.916 6.428 608 HA GLU 139 HA GLU 139 -20.240 -8.633 8.404 609 1HB GLU 139 1HB GLU 139 -23.213 -8.202 8.372 610 2HB GLU 139 2HB GLU 139 -22.352 -8.636 9.828 611 1HG GLU 139 1HG GLU 139 -20.926 -6.524 8.685 612 2HG GLU 139 2HG GLU 139 -22.631 -6.089 8.586 613 H ALA 140 H ALA 140 -22.894 -10.312 6.856 614 HA ALA 140 HA ALA 140 -22.784 -12.639 8.388 615 1HB ALA 140 1HB ALA 140 -23.528 -12.518 5.472 616 2HB ALA 140 2HB ALA 140 -24.608 -12.033 6.778 617 3HB ALA 140 3HB ALA 140 -24.056 -13.704 6.666 618 H ALA 141 H ALA 141 -21.066 -11.627 5.535 619 HA ALA 141 HA ALA 141 -19.656 -14.006 5.042 620 1HB ALA 141 1HB ALA 141 -19.844 -12.262 3.352 621 2HB ALA 141 2HB ALA 141 -18.146 -12.589 3.704 622 3HB ALA 141 3HB ALA 141 -18.925 -11.154 4.369 623 H MET 142 H MET 142 -18.853 -11.048 6.799 624 HA MET 142 HA MET 142 -16.300 -11.642 7.615 625 1HB MET 142 1HB MET 142 -18.483 -10.186 9.101 626 2HB MET 142 2HB MET 142 -16.802 -10.181 9.573 627 1HG MET 142 1HG MET 142 -16.218 -9.054 7.490 628 2HG MET 142 2HG MET 142 -17.923 -9.056 7.028 629 1HE MET 142 1HE MET 142 -15.959 -6.613 7.181 630 2HE MET 142 2HE MET 142 -17.619 -6.138 6.826 631 3HE MET 142 3HE MET 142 -16.733 -5.335 8.121 632 H ALA 143 H ALA 143 -19.357 -12.452 8.953 633 HA ALA 143 HA ALA 143 -18.572 -13.546 11.402 634 1HB ALA 143 1HB ALA 143 -20.808 -14.457 11.521 635 2HB ALA 143 2HB ALA 143 -21.032 -14.172 9.793 636 3HB ALA 143 3HB ALA 143 -20.846 -12.809 10.899 637 H GLU 144 H GLU 144 -19.344 -15.202 8.360 638 HA GLU 144 HA GLU 144 -19.073 -17.799 9.286 639 1HB GLU 144 1HB GLU 144 -18.485 -16.783 6.550 640 2HB GLU 144 2HB GLU 144 -18.878 -18.434 6.983 641 1HG GLU 144 1HG GLU 144 -20.967 -16.994 8.008 642 2HG GLU 144 2HG GLU 144 -20.578 -16.172 6.506 643 H LEU 145 H LEU 145 -16.779 -15.740 7.639 644 HA LEU 145 HA LEU 145 -14.654 -17.624 7.767 645 1HB LEU 145 1HB LEU 145 -14.330 -14.697 7.270 646 2HB LEU 145 2HB LEU 145 -13.453 -16.041 6.590 647 HG LEU 145 HG LEU 145 -16.338 -15.844 5.917 648 H ASN 146 H ASN 146 -15.825 -15.133 9.830 649 HA ASN 146 HA ASN 146 -15.243 -14.418 11.889 650 1HB ASN 146 1HB ASN 146 -14.600 -16.690 12.466 651 2HB ASN 146 2HB ASN 146 -13.054 -16.447 11.693 652 1HD2 ASN 146 1HD2 ASN 146 -15.076 -15.420 14.308 653 1HD2 ASN 146 1HD2 ASN 146 -13.789 -14.954 15.356 654 H TYR 147 H TYR 147 -14.908 -12.718 10.277 655 HA TYR 147 HA TYR 147 -12.299 -11.969 9.463 656 1HB TYR 147 1HB TYR 147 -14.376 -11.323 8.245 657 2HB TYR 147 2HB TYR 147 -14.773 -10.250 9.582 658 HD1 TYR 147 HD1 TYR 147 -14.759 -8.204 8.275 659 HD2 TYR 147 HD2 TYR 147 -11.323 -10.710 8.389 660 HE1 TYR 147 HE1 TYR 147 -13.427 -6.432 7.245 661 HE2 TYR 147 HE2 TYR 147 -9.991 -8.918 7.389 662 HH TYR 147 HH TYR 147 -10.841 -5.835 7.264 663 H ILE 148 H ILE 148 -10.813 -10.819 10.396 664 HA ILE 148 HA ILE 148 -11.507 -8.998 12.578 665 HB ILE 148 HB ILE 148 -9.113 -10.853 12.540 666 HA PRO 149 HA PRO 149 -9.269 -6.544 9.556 667 1HB PRO 149 1HB PRO 149 -9.618 -4.152 10.778 668 2HB PRO 149 2HB PRO 149 -10.892 -4.934 9.834 669 1HG PRO 149 1HG PRO 149 -10.511 -4.852 12.796 670 2HG PRO 149 2HG PRO 149 -11.996 -4.690 11.845 671 1HD PRO 149 1HD PRO 149 -11.275 -6.991 13.101 672 2HD PRO 149 2HD PRO 149 -12.248 -6.967 11.617 673 H ASN 150 H ASN 150 -7.363 -4.948 9.690 674 HA ASN 150 HA ASN 150 -5.701 -5.682 11.971 675 1HB ASN 150 1HB ASN 150 -5.208 -5.320 9.048 676 2HB ASN 150 2HB ASN 150 -3.956 -4.750 10.155 677 1HD2 ASN 150 1HD2 ASN 150 -4.616 -7.156 8.245 678 1HD2 ASN 150 1HD2 ASN 150 -3.928 -8.482 9.132 679 H ARG 151 H ARG 151 -5.368 -4.063 13.322 680 HA ARG 151 HA ARG 151 -6.540 -1.556 13.044 681 1HB ARG 151 1HB ARG 151 -5.766 -2.826 15.152 682 2HB ARG 151 2HB ARG 151 -4.243 -2.005 14.870 683 1HG ARG 151 1HG ARG 151 -5.509 -0.735 16.443 684 2HG ARG 151 2HG ARG 151 -5.449 0.158 14.934 685 1HD ARG 151 1HD ARG 151 -7.689 -1.136 14.503 686 2HD ARG 151 2HD ARG 151 -7.712 -1.195 16.254 687 HE ARG 151 HE ARG 151 -7.311 1.368 15.951 688 1HH1 ARG 151 1HH1 ARG 151 -9.430 -0.693 14.067 689 1HH2 ARG 151 1HH2 ARG 151 -8.808 3.038 15.501 690 2HH1 ARG 151 2HH1 ARG 151 -10.568 0.573 13.731 691 2HH2 ARG 151 2HH2 ARG 151 -10.215 2.694 14.542 692 H CYS 152 H CYS 152 -3.393 -2.604 11.991 693 HA CYS 152 HA CYS 152 -2.310 0.074 11.864 694 1HB CYS 152 1HB CYS 152 -1.112 -2.306 12.023 695 2HB CYS 152 2HB CYS 152 -1.156 -2.135 10.271 696 H ALA 153 H ALA 153 -3.242 -2.348 9.490 697 HA ALA 153 HA ALA 153 -3.081 -0.825 7.230 698 1HB ALA 153 1HB ALA 153 -5.239 -2.839 7.860 699 2HB ALA 153 2HB ALA 153 -4.806 -2.263 6.252 700 3HB ALA 153 3HB ALA 153 -3.648 -3.200 7.194 701 H GLN 154 H GLN 154 -5.623 -0.873 9.637 702 HA GLN 154 HA GLN 154 -7.434 0.855 8.315 703 1HB GLN 154 1HB GLN 154 -7.087 0.205 11.240 704 2HB GLN 154 2HB GLN 154 -8.465 1.030 10.536 705 1HG GLN 154 1HG GLN 154 -8.677 -1.048 9.044 706 2HG GLN 154 2HG GLN 154 -7.644 -1.812 10.244 707 H GLN 155 H GLN 155 -4.970 1.294 10.819 708 HA GLN 155 HA GLN 155 -5.315 4.050 11.209 709 1HB GLN 155 1HB GLN 155 -3.073 2.140 11.693 710 2HB GLN 155 2HB GLN 155 -2.808 3.857 11.927 711 1HG GLN 155 1HG GLN 155 -4.275 1.923 13.545 712 2HG GLN 155 2HG GLN 155 -3.480 3.427 14.019 713 H LEU 156 H LEU 156 -3.092 2.281 9.108 714 HA LEU 156 HA LEU 156 -1.820 4.520 7.988 715 1HB LEU 156 1HB LEU 156 -1.270 1.978 7.971 716 2HB LEU 156 2HB LEU 156 -2.266 1.945 6.529 717 HG LEU 156 HG LEU 156 -0.754 3.448 5.386 718 H ALA 157 H ALA 157 -4.131 2.385 6.440 719 HA ALA 157 HA ALA 157 -4.723 3.956 4.234 720 1HB ALA 157 1HB ALA 157 -6.670 2.066 5.537 721 2HB ALA 157 2HB ALA 157 -6.657 2.585 3.850 722 3HB ALA 157 3HB ALA 157 -5.352 1.578 4.473 723 H GLY 158 H GLY 158 -6.028 4.219 7.450 724 1HA GLY 158 1HA GLY 158 -7.691 5.572 8.316 725 2HA GLY 158 2HA GLY 158 -8.206 5.926 6.672 726 H LYS 159 H LYS 159 -4.912 6.414 7.003 727 HA LYS 159 HA LYS 159 -5.235 9.199 7.789 728 1HB LYS 159 1HB LYS 159 -3.542 7.637 8.910 729 2HB LYS 159 2HB LYS 159 -2.637 7.781 7.416 730 1HG LYS 159 1HG LYS 159 -2.890 10.336 7.830 731 2HG LYS 159 2HG LYS 159 -3.162 9.835 9.501 732 1HD LYS 159 1HD LYS 159 -0.852 10.267 9.324 733 2HD LYS 159 2HD LYS 159 -1.006 8.507 9.269 734 1HE LYS 159 1HE LYS 159 0.562 9.421 7.568 735 2HE LYS 159 2HE LYS 159 -0.780 8.499 6.895 736 1HZ LYS 159 1HZ LYS 159 -1.290 11.336 7.134 737 2HZ LYS 159 2HZ LYS 159 -0.053 10.926 6.044 738 3HZ LYS 159 3HZ LYS 159 -1.602 10.270 5.851 739 H GLN 160 H GLN 160 -6.226 8.715 5.323 740 HA GLN 160 HA GLN 160 -4.465 8.860 3.171 741 1HB GLN 160 1HB GLN 160 -7.287 9.770 3.458 742 2HB GLN 160 2HB GLN 160 -6.440 9.726 1.942 743 1HG GLN 160 1HG GLN 160 -6.556 7.488 1.778 744 2HG GLN 160 2HG GLN 160 -6.495 7.249 3.515 745 H SER 161 H SER 161 -6.616 11.517 3.982 746 HA SER 161 HA SER 161 -4.602 13.402 3.046 747 1HB SER 161 1HB SER 161 -7.166 14.501 3.860 748 2HB SER 161 2HB SER 161 -6.322 14.634 2.319 749 HG SER 161 HG SER 161 -7.172 12.665 1.697 750 H LEU 162 H LEU 162 -4.669 12.039 5.781 751 HA LEU 162 HA LEU 162 -4.894 14.382 7.501 752 1HB LEU 162 1HB LEU 162 -4.730 11.456 8.029 753 2HB LEU 162 2HB LEU 162 -4.402 12.604 9.305 754 HG LEU 162 HG LEU 162 -6.747 13.574 8.660 No H/Q in entry = 754 Start of MODEL 14 1 H1 MET 1 H1 MET 1 2.380 21.039 7.513 2 H2 MET 1 H2 MET 1 3.987 21.469 7.239 3 H3 MET 1 H3 MET 1 2.811 22.670 7.433 4 HA MET 1 HA MET 1 1.757 22.109 5.410 5 1HB MET 1 1HB MET 1 3.747 23.585 5.280 6 2HB MET 1 2HB MET 1 4.753 22.174 4.984 7 1HG MET 1 1HG MET 1 3.618 21.746 2.902 8 2HG MET 1 2HG MET 1 2.486 23.060 3.211 9 1HE MET 1 1HE MET 1 5.993 21.972 2.112 10 2HE MET 1 2HE MET 1 6.908 23.476 2.007 11 3HE MET 1 3HE MET 1 6.476 22.815 3.583 12 H LYS 2 H LYS 2 4.745 20.160 5.500 13 HA LYS 2 HA LYS 2 3.239 17.789 4.768 14 1HB LYS 2 1HB LYS 2 3.689 18.691 2.584 15 2HB LYS 2 2HB LYS 2 5.371 18.994 2.997 16 1HG LYS 2 1HG LYS 2 5.531 16.455 3.347 17 2HG LYS 2 2HG LYS 2 4.012 16.382 2.455 18 1HD LYS 2 1HD LYS 2 4.984 17.181 0.496 19 2HD LYS 2 2HD LYS 2 6.359 17.883 1.351 20 1HE LYS 2 1HE LYS 2 5.817 14.931 1.092 21 2HE LYS 2 2HE LYS 2 6.939 15.838 0.079 22 1HZ LYS 2 1HZ LYS 2 8.154 16.442 2.121 23 2HZ LYS 2 2HZ LYS 2 7.133 15.431 3.017 24 3HZ LYS 2 3HZ LYS 2 8.151 14.772 1.832 25 HA PRO 3 HA PRO 3 6.412 16.426 7.628 26 1HB PRO 3 1HB PRO 3 5.313 13.767 7.212 27 2HB PRO 3 2HB PRO 3 5.399 14.722 8.692 28 1HG PRO 3 1HG PRO 3 3.067 14.228 7.393 29 2HG PRO 3 2HG PRO 3 3.353 15.698 8.346 30 1HD PRO 3 1HD PRO 3 3.383 15.312 5.384 31 2HD PRO 3 2HD PRO 3 2.833 16.708 6.339 32 H VAL 4 H VAL 4 8.016 14.618 7.622 33 HA VAL 4 HA VAL 4 9.196 14.433 4.981 34 HB VAL 4 HB VAL 4 10.380 13.198 7.413 35 H THR 5 H THR 5 9.865 12.469 4.047 36 HA THR 5 HA THR 5 8.896 9.999 5.287 37 HB THR 5 HB THR 5 7.953 9.304 2.976 38 HG1 THR 5 HG1 THR 5 8.371 12.028 2.630 39 H LEU 6 H LEU 6 9.506 8.095 3.761 40 HA LEU 6 HA LEU 6 12.357 8.265 3.506 41 1HB LEU 6 1HB LEU 6 11.683 6.002 2.070 42 2HB LEU 6 2HB LEU 6 12.192 6.069 3.743 43 HG LEU 6 HG LEU 6 9.630 6.399 4.188 44 H TYR 7 H TYR 7 9.702 8.751 1.366 45 HA TYR 7 HA TYR 7 11.004 8.411 -1.102 46 1HB TYR 7 1HB TYR 7 8.643 10.021 -0.169 47 2HB TYR 7 2HB TYR 7 9.235 10.173 -1.816 48 HD1 TYR 7 HD1 TYR 7 7.489 8.054 0.567 49 HD2 TYR 7 HD2 TYR 7 9.007 8.319 -3.394 50 HE1 TYR 7 HE1 TYR 7 6.101 6.130 -0.088 51 HE2 TYR 7 HE2 TYR 7 7.634 6.389 -4.060 52 HH TYR 7 HH TYR 7 6.525 4.485 -3.064 53 H ASP 8 H ASP 8 10.730 11.048 1.157 54 HA ASP 8 HA ASP 8 11.826 13.104 -0.432 55 1HB ASP 8 1HB ASP 8 11.453 12.668 2.540 56 2HB ASP 8 2HB ASP 8 12.137 14.153 1.899 57 H VAL 9 H VAL 9 13.190 11.242 2.281 58 HA VAL 9 HA VAL 9 15.747 12.322 1.812 59 HB VAL 9 HB VAL 9 16.259 11.522 3.786 60 H ALA 10 H ALA 10 14.073 9.649 0.439 61 HA ALA 10 HA ALA 10 16.372 8.326 -0.635 62 1HB ALA 10 1HB ALA 10 13.534 8.260 -1.649 63 2HB ALA 10 2HB ALA 10 14.817 7.121 -2.052 64 3HB ALA 10 3HB ALA 10 14.189 7.193 -0.407 65 H GLU 11 H GLU 11 14.206 10.841 -1.603 66 HA GLU 11 HA GLU 11 15.086 11.132 -4.291 67 1HB GLU 11 1HB GLU 11 13.175 12.279 -2.492 68 2HB GLU 11 2HB GLU 11 14.033 13.568 -3.310 69 1HG GLU 11 1HG GLU 11 12.451 11.329 -4.536 70 2HG GLU 11 2HG GLU 11 12.130 13.056 -4.615 71 H TYR 12 H TYR 12 15.780 12.601 -1.235 72 HA TYR 12 HA TYR 12 17.618 14.569 -1.990 73 1HB TYR 12 1HB TYR 12 16.385 13.746 0.273 74 2HB TYR 12 2HB TYR 12 18.005 13.179 0.549 75 HD1 TYR 12 HD1 TYR 12 16.614 16.318 -0.925 76 HD2 TYR 12 HD2 TYR 12 19.119 14.519 1.994 77 HE1 TYR 12 HE1 TYR 12 17.288 18.545 -0.134 78 HE2 TYR 12 HE2 TYR 12 19.799 16.715 2.789 79 HH TYR 12 HH TYR 12 19.670 18.922 2.490 80 H ALA 13 H ALA 13 18.127 11.488 -0.473 81 HA ALA 13 HA ALA 13 20.882 11.367 -0.667 82 1HB ALA 13 1HB ALA 13 18.879 9.150 -0.446 83 2HB ALA 13 2HB ALA 13 19.713 9.982 0.866 84 3HB ALA 13 3HB ALA 13 20.614 8.938 -0.234 85 H GLY 14 H GLY 14 18.561 10.838 -3.129 86 1HA GLY 14 1HA GLY 14 20.664 10.387 -5.053 87 2HA GLY 14 2HA GLY 14 18.948 10.565 -5.401 88 H VAL 15 H VAL 15 17.919 8.585 -3.764 89 HA VAL 15 HA VAL 15 18.779 6.168 -5.134 90 HB VAL 15 HB VAL 15 18.629 4.853 -3.044 91 H SER 16 H SER 16 17.035 4.488 -3.739 92 HA SER 16 HA SER 16 14.431 5.685 -4.411 93 1HB SER 16 1HB SER 16 13.627 3.547 -5.066 94 2HB SER 16 2HB SER 16 15.226 3.687 -5.794 95 HG SER 16 HG SER 16 16.026 2.286 -4.327 96 H VAL 17 H VAL 17 12.666 4.167 -3.208 97 HA VAL 17 HA VAL 17 13.080 4.769 -0.438 98 HB VAL 17 HB VAL 17 10.806 3.907 -0.150 99 H ALA 18 H ALA 18 13.697 2.221 -2.521 100 HA ALA 18 HA ALA 18 13.430 0.068 -0.681 101 1HB ALA 18 1HB ALA 18 14.954 0.244 -3.279 102 2HB ALA 18 2HB ALA 18 14.630 -1.238 -2.378 103 3HB ALA 18 3HB ALA 18 13.296 -0.322 -3.079 104 H THR 19 H THR 19 15.918 2.408 -1.522 105 HA THR 19 HA THR 19 18.001 0.987 -0.185 106 HB THR 19 HB THR 19 18.269 3.882 -0.667 107 HG1 THR 19 HG1 THR 19 18.484 2.389 -2.980 108 H VAL 20 H VAL 20 16.121 3.877 0.428 109 HA VAL 20 HA VAL 20 17.222 4.562 2.898 110 HB VAL 20 HB VAL 20 14.535 5.204 1.705 111 H SER 21 H SER 21 14.312 2.592 2.257 112 HA SER 21 HA SER 21 13.501 2.349 4.906 113 1HB SER 21 1HB SER 21 11.942 1.638 3.310 114 2HB SER 21 2HB SER 21 13.122 0.637 2.469 115 HG SER 21 HG SER 21 11.624 0.108 4.753 116 H ARG 22 H ARG 22 16.068 0.793 3.122 117 HA ARG 22 HA ARG 22 16.461 -1.345 4.933 118 1HB ARG 22 1HB ARG 22 18.375 0.012 3.060 119 2HB ARG 22 2HB ARG 22 18.680 -1.502 3.881 120 1HG ARG 22 1HG ARG 22 16.411 -1.059 1.974 121 2HG ARG 22 2HG ARG 22 17.963 -1.757 1.529 122 1HD ARG 22 1HD ARG 22 17.246 -3.253 3.711 123 2HD ARG 22 2HD ARG 22 15.693 -2.946 2.937 124 HE ARG 22 HE ARG 22 17.375 -3.757 0.921 125 1HH1 ARG 22 1HH1 ARG 22 16.196 -5.116 3.930 126 1HH2 ARG 22 1HH2 ARG 22 17.542 -5.926 0.199 127 2HH1 ARG 22 2HH1 ARG 22 16.308 -6.757 3.380 128 2HH2 ARG 22 2HH2 ARG 22 17.068 -7.215 1.253 129 H VAL 23 H VAL 23 18.015 1.795 4.512 130 HA VAL 23 HA VAL 23 19.730 1.569 6.761 131 HB VAL 23 HB VAL 23 18.714 4.107 5.504 132 H VAL 24 H VAL 24 16.556 2.916 6.230 133 HA VAL 24 HA VAL 24 16.035 3.980 8.732 134 HB VAL 24 HB VAL 24 14.436 2.902 6.473 135 H ASN 25 H ASN 25 15.942 0.724 7.483 136 HA ASN 25 HA ASN 25 15.001 -0.394 10.011 137 1HB ASN 25 1HB ASN 25 15.536 -1.434 7.258 138 2HB ASN 25 2HB ASN 25 15.584 -2.575 8.594 139 1HD2 ASN 25 1HD2 ASN 25 13.624 -0.714 6.499 140 1HD2 ASN 25 1HD2 ASN 25 12.090 -1.263 7.107 141 H GLN 26 H GLN 26 17.671 0.977 9.657 142 HA GLN 26 HA GLN 26 19.750 0.809 10.506 143 1HB GLN 26 1HB GLN 26 19.518 -1.798 11.794 144 2HB GLN 26 2HB GLN 26 20.057 -0.271 12.457 145 1HG GLN 26 1HG GLN 26 17.236 -1.210 12.125 146 2HG GLN 26 2HG GLN 26 18.111 -1.041 13.641 147 H ALA 27 H ALA 27 19.431 0.160 8.023 148 HA ALA 27 HA ALA 27 19.939 -1.025 6.209 149 1HB ALA 27 1HB ALA 27 22.460 -1.337 7.782 150 2HB ALA 27 2HB ALA 27 22.291 -1.431 6.027 151 3HB ALA 27 3HB ALA 27 21.957 0.083 6.863 152 H SER 28 H SER 28 21.156 -2.993 5.343 153 HA SER 28 HA SER 28 20.905 -5.436 6.794 154 1HB SER 28 1HB SER 28 19.377 -5.879 4.454 155 2HB SER 28 2HB SER 28 18.828 -6.014 6.124 156 HG SER 28 HG SER 28 17.757 -4.231 5.863 157 H HIS 29 H HIS 29 21.094 -3.824 3.711 158 HA HIS 29 HA HIS 29 23.512 -5.304 3.031 159 1HB HIS 29 1HB HIS 29 20.944 -5.394 1.502 160 2HB HIS 29 2HB HIS 29 22.454 -5.359 0.596 161 HD1 HIS 29 HD1 HIS 29 23.777 -7.181 3.072 162 HD2 HIS 29 HD2 HIS 29 20.618 -8.058 0.522 163 HE1 HIS 29 HE1 HIS 29 23.615 -9.682 3.038 164 HE2 HIS 29 HE2 HIS 29 21.829 -10.196 1.337 165 H VAL 30 H VAL 30 22.422 -2.462 3.681 166 HA VAL 30 HA VAL 30 23.108 -0.980 1.320 167 HB VAL 30 HB VAL 30 21.855 -0.362 3.922 168 H SER 31 H SER 31 25.014 0.037 0.969 169 HA SER 31 HA SER 31 27.241 -0.799 2.480 170 1HB SER 31 1HB SER 31 28.219 1.214 0.937 171 2HB SER 31 2HB SER 31 27.922 -0.418 0.330 172 HG SER 31 HG SER 31 26.805 0.809 -1.060 173 H ALA 32 H ALA 32 28.715 0.533 3.647 174 HA ALA 32 HA ALA 32 27.658 2.084 5.636 175 1HB ALA 32 1HB ALA 32 30.448 2.435 4.561 176 2HB ALA 32 2HB ALA 32 29.944 1.087 5.578 177 3HB ALA 32 3HB ALA 32 29.884 2.734 6.204 178 H LYS 33 H LYS 33 29.140 3.270 2.616 179 HA LYS 33 HA LYS 33 28.830 5.991 3.189 180 1HB LYS 33 1HB LYS 33 29.982 4.575 1.147 181 2HB LYS 33 2HB LYS 33 28.611 5.344 0.360 182 1HG LYS 33 1HG LYS 33 30.623 6.714 0.192 183 2HG LYS 33 2HG LYS 33 29.359 7.527 1.116 184 1HD LYS 33 1HD LYS 33 30.654 6.296 3.123 185 2HD LYS 33 2HD LYS 33 31.990 6.486 1.993 186 1HE LYS 33 1HE LYS 33 31.806 8.825 1.991 187 2HE LYS 33 2HE LYS 33 30.194 8.786 2.701 188 1HZ LYS 33 1HZ LYS 33 32.525 7.755 4.188 189 2HZ LYS 33 2HZ LYS 33 32.164 9.407 4.184 190 3HZ LYS 33 3HZ LYS 33 31.035 8.298 4.792 191 H THR 34 H THR 34 26.652 3.742 1.604 192 HA THR 34 HA THR 34 24.720 5.657 0.862 193 HB THR 34 HB THR 34 24.248 2.789 1.461 194 HG1 THR 34 HG1 THR 34 25.368 2.385 -0.293 195 H ARG 35 H ARG 35 25.060 3.543 3.641 196 HA ARG 35 HA ARG 35 22.792 4.178 5.033 197 1HB ARG 35 1HB ARG 35 24.284 2.478 5.860 198 2HB ARG 35 2HB ARG 35 25.586 3.639 6.052 199 1HG ARG 35 1HG ARG 35 23.090 4.074 7.593 200 2HG ARG 35 2HG ARG 35 24.175 2.795 8.103 201 1HD ARG 35 1HD ARG 35 26.005 4.458 8.099 202 2HD ARG 35 2HD ARG 35 24.802 5.693 7.776 203 HE ARG 35 HE ARG 35 23.821 5.224 9.931 204 1HH1 ARG 35 1HH1 ARG 35 27.008 3.911 9.331 205 1HH2 ARG 35 1HH2 ARG 35 24.322 4.961 12.147 206 2HH1 ARG 35 2HH1 ARG 35 27.388 3.715 11.006 207 2HH2 ARG 35 2HH2 ARG 35 25.854 4.296 12.614 208 H GLU 36 H GLU 36 25.828 5.893 4.938 209 HA GLU 36 HA GLU 36 25.065 7.983 6.715 210 1HB GLU 36 1HB GLU 36 27.251 7.899 4.663 211 2HB GLU 36 2HB GLU 36 27.075 9.145 5.868 212 1HG GLU 36 1HG GLU 36 27.595 7.699 7.599 213 2HG GLU 36 2HG GLU 36 27.360 6.277 6.599 214 H LYS 37 H LYS 37 25.040 7.488 3.290 215 HA LYS 37 HA LYS 37 24.438 9.953 2.242 216 1HB LYS 37 1HB LYS 37 24.925 7.931 0.913 217 2HB LYS 37 2HB LYS 37 23.396 7.244 1.428 218 1HG LYS 37 1HG LYS 37 22.401 9.410 0.393 219 2HG LYS 37 2HG LYS 37 23.904 9.411 -0.532 220 1HD LYS 37 1HD LYS 37 22.129 6.991 -0.331 221 2HD LYS 37 2HD LYS 37 21.908 8.223 -1.574 222 1HE LYS 37 1HE LYS 37 24.361 6.543 -1.117 223 2HE LYS 37 2HE LYS 37 23.218 6.398 -2.447 224 1HZ LYS 37 1HZ LYS 37 23.836 8.780 -2.980 225 2HZ LYS 37 2HZ LYS 37 25.146 8.577 -1.931 226 3HZ LYS 37 3HZ LYS 37 25.003 7.599 -3.300 227 H VAL 38 H VAL 38 22.237 7.528 3.375 228 HA VAL 38 HA VAL 38 19.962 9.216 2.852 229 HB VAL 38 HB VAL 38 18.617 7.480 2.868 230 H GLU 39 H GLU 39 21.743 8.098 5.702 231 HA GLU 39 HA GLU 39 19.872 8.946 7.595 232 1HB GLU 39 1HB GLU 39 22.845 8.544 7.626 233 2HB GLU 39 2HB GLU 39 21.969 9.085 9.035 234 1HG GLU 39 1HG GLU 39 20.579 6.866 8.055 235 2HG GLU 39 2HG GLU 39 22.293 6.450 8.010 236 H ALA 40 H ALA 40 22.515 10.527 5.930 237 HA ALA 40 HA ALA 40 22.370 12.971 7.254 238 1HB ALA 40 1HB ALA 40 24.233 12.345 5.784 239 2HB ALA 40 2HB ALA 40 23.161 12.487 4.390 240 3HB ALA 40 3HB ALA 40 23.555 13.914 5.350 241 H ALA 41 H ALA 41 20.721 11.747 4.436 242 HA ALA 41 HA ALA 41 19.298 14.049 3.755 243 1HB ALA 41 1HB ALA 41 18.582 11.147 3.342 244 2HB ALA 41 2HB ALA 41 17.788 12.510 2.552 245 3HB ALA 41 3HB ALA 41 19.488 12.172 2.230 246 H MET 42 H MET 42 18.540 11.296 5.821 247 HA MET 42 HA MET 42 15.972 11.968 6.567 248 1HB MET 42 1HB MET 42 18.151 10.599 8.118 249 2HB MET 42 2HB MET 42 16.504 10.728 8.683 250 1HG MET 42 1HG MET 42 15.865 9.530 6.514 251 2HG MET 42 2HG MET 42 17.585 9.131 6.402 252 1HE MET 42 1HE MET 42 16.786 6.687 6.269 253 2HE MET 42 2HE MET 42 18.238 6.651 7.269 254 3HE MET 42 3HE MET 42 16.825 5.699 7.731 255 H ALA 43 H ALA 43 19.058 12.894 7.817 256 HA ALA 43 HA ALA 43 18.259 14.205 10.160 257 1HB ALA 43 1HB ALA 43 20.729 14.598 8.492 258 2HB ALA 43 2HB ALA 43 20.523 13.431 9.801 259 3HB ALA 43 3HB ALA 43 20.510 15.159 10.152 260 H GLU 44 H GLU 44 19.103 15.589 6.996 261 HA GLU 44 HA GLU 44 18.830 18.260 7.679 262 1HB GLU 44 1HB GLU 44 18.188 17.043 5.033 263 2HB GLU 44 2HB GLU 44 18.672 18.693 5.341 264 1HG GLU 44 1HG GLU 44 20.787 17.478 6.369 265 2HG GLU 44 2HG GLU 44 20.271 16.230 5.240 266 H LEU 45 H LEU 45 16.534 16.066 6.263 267 HA LEU 45 HA LEU 45 14.382 17.909 6.184 268 1HB LEU 45 1HB LEU 45 14.117 14.925 6.108 269 2HB LEU 45 2HB LEU 45 13.150 16.133 5.306 270 HG LEU 45 HG LEU 45 16.025 15.876 4.563 271 H ASN 46 H ASN 46 15.573 15.719 8.577 272 HA ASN 46 HA ASN 46 14.976 15.272 10.719 273 1HB ASN 46 1HB ASN 46 14.535 17.653 10.998 274 2HB ASN 46 2HB ASN 46 12.950 17.434 10.303 275 1HD2 ASN 46 1HD2 ASN 46 14.964 16.704 13.020 276 1HD2 ASN 46 1HD2 ASN 46 13.674 16.422 14.129 277 H TYR 47 H TYR 47 14.403 13.572 9.065 278 HA TYR 47 HA TYR 47 11.882 12.835 8.332 279 1HB TYR 47 1HB TYR 47 13.958 11.853 7.492 280 2HB TYR 47 2HB TYR 47 14.183 11.014 9.017 281 HD1 TYR 47 HD1 TYR 47 10.784 11.188 7.736 282 HD2 TYR 47 HD2 TYR 47 14.399 8.953 7.693 283 HE1 TYR 47 HE1 TYR 47 9.565 9.232 6.894 284 HE2 TYR 47 HE2 TYR 47 13.191 7.004 6.841 285 HH TYR 47 HH TYR 47 9.698 7.104 6.306 286 H ILE 48 H ILE 48 12.667 10.117 9.917 287 HA ILE 48 HA ILE 48 12.016 9.000 11.802 288 HB ILE 48 HB ILE 48 10.639 11.583 12.462 289 HA PRO 49 HA PRO 49 8.745 7.660 9.120 290 1HB PRO 49 1HB PRO 49 8.929 5.047 9.697 291 2HB PRO 49 2HB PRO 49 10.172 5.891 8.762 292 1HG PRO 49 1HG PRO 49 10.185 5.052 11.620 293 2HG PRO 49 2HG PRO 49 11.514 5.067 10.443 294 1HD PRO 49 1HD PRO 49 11.037 7.000 12.396 295 2HD PRO 49 2HD PRO 49 12.071 7.213 10.974 296 H ASN 50 H ASN 50 6.888 5.924 9.373 297 HA ASN 50 HA ASN 50 5.416 6.632 11.788 298 1HB ASN 50 1HB ASN 50 4.712 6.101 8.941 299 2HB ASN 50 2HB ASN 50 3.588 5.477 10.154 300 1HD2 ASN 50 1HD2 ASN 50 3.445 7.620 8.118 301 1HD2 ASN 50 1HD2 ASN 50 2.920 9.022 8.993 302 H ARG 51 H ARG 51 5.148 5.079 13.243 303 HA ARG 51 HA ARG 51 6.427 2.613 13.028 304 1HB ARG 51 1HB ARG 51 5.712 3.975 15.099 305 2HB ARG 51 2HB ARG 51 4.226 3.055 14.968 306 1HG ARG 51 1HG ARG 51 5.686 1.977 16.528 307 2HG ARG 51 2HG ARG 51 5.543 0.971 15.099 308 1HD ARG 51 1HD ARG 51 7.679 2.125 14.327 309 2HD ARG 51 2HD ARG 51 7.825 2.654 15.992 310 HE ARG 51 HE ARG 51 7.522 0.076 16.381 311 1HH1 ARG 51 1HH1 ARG 51 9.489 1.679 13.954 312 1HH2 ARG 51 1HH2 ARG 51 9.060 -1.597 16.290 313 2HH1 ARG 51 2HH1 ARG 51 10.651 0.394 13.880 314 2HH2 ARG 51 2HH2 ARG 51 10.413 -1.463 15.211 315 H CYS 52 H CYS 52 3.231 3.468 11.989 316 HA CYS 52 HA CYS 52 2.231 0.751 12.143 317 1HB CYS 52 1HB CYS 52 0.950 3.111 12.162 318 2HB CYS 52 2HB CYS 52 0.910 2.782 10.434 319 H ALA 53 H ALA 53 3.016 3.010 9.563 320 HA ALA 53 HA ALA 53 2.874 1.329 7.424 321 1HB ALA 53 1HB ALA 53 3.404 3.751 7.318 322 2HB ALA 53 2HB ALA 53 5.052 3.385 7.827 323 3HB ALA 53 3HB ALA 53 4.445 2.770 6.289 324 H GLN 54 H GLN 54 5.421 1.570 9.814 325 HA GLN 54 HA GLN 54 7.261 -0.201 8.580 326 1HB GLN 54 1HB GLN 54 6.949 0.614 11.468 327 2HB GLN 54 2HB GLN 54 8.343 -0.187 10.772 328 1HG GLN 54 1HG GLN 54 8.402 1.856 9.177 329 2HG GLN 54 2HG GLN 54 7.429 2.621 10.425 330 H GLN 55 H GLN 55 4.798 -0.483 11.079 331 HA GLN 55 HA GLN 55 5.231 -3.183 11.744 332 1HB GLN 55 1HB GLN 55 2.965 -1.276 12.090 333 2HB GLN 55 2HB GLN 55 2.731 -2.970 12.476 334 1HG GLN 55 1HG GLN 55 4.214 -0.884 13.883 335 2HG GLN 55 2HG GLN 55 3.420 -2.329 14.512 336 H LEU 56 H LEU 56 2.979 -1.647 9.504 337 HA LEU 56 HA LEU 56 1.742 -3.995 8.589 338 1HB LEU 56 1HB LEU 56 1.151 -1.486 8.291 339 2HB LEU 56 2HB LEU 56 2.189 -1.580 6.877 340 HG LEU 56 HG LEU 56 0.756 -3.283 5.901 341 H ALA 57 H ALA 57 4.030 -2.004 6.885 342 HA ALA 57 HA ALA 57 4.686 -3.734 4.842 343 1HB ALA 57 1HB ALA 57 5.364 -1.322 5.019 344 2HB ALA 57 2HB ALA 57 6.711 -1.847 6.028 345 3HB ALA 57 3HB ALA 57 6.588 -2.405 4.359 346 H GLY 58 H GLY 58 5.874 -3.817 8.105 347 1HA GLY 58 1HA GLY 58 7.588 -5.096 9.043 348 2HA GLY 58 2HA GLY 58 7.959 -5.726 7.444 349 H LYS 59 H LYS 59 4.757 -6.008 7.651 350 HA LYS 59 HA LYS 59 4.735 -8.540 9.095 351 1HB LYS 59 1HB LYS 59 3.118 -6.589 9.560 352 2HB LYS 59 2HB LYS 59 2.334 -7.098 8.079 353 1HG LYS 59 1HG LYS 59 2.328 -9.438 9.233 354 2HG LYS 59 2HG LYS 59 2.485 -8.475 10.704 355 1HD LYS 59 1HD LYS 59 0.173 -8.796 10.397 356 2HD LYS 59 2HD LYS 59 0.492 -7.149 9.853 357 1HE LYS 59 1HE LYS 59 -0.982 -8.283 8.292 358 2HE LYS 59 2HE LYS 59 0.573 -7.945 7.537 359 1HZ LYS 59 1HZ LYS 59 0.858 -10.442 8.642 360 2HZ LYS 59 2HZ LYS 59 -0.700 -10.448 7.977 361 3HZ LYS 59 3HZ LYS 59 0.631 -10.080 7.002 362 H GLN 60 H GLN 60 5.941 -8.470 6.512 363 HA GLN 60 HA GLN 60 4.204 -9.222 4.450 364 1HB GLN 60 1HB GLN 60 7.074 -9.989 4.791 365 2HB GLN 60 2HB GLN 60 6.167 -10.013 3.309 366 1HG GLN 60 1HG GLN 60 6.427 -7.841 2.952 367 2HG GLN 60 2HG GLN 60 6.226 -7.435 4.651 368 H SER 61 H SER 61 6.331 -11.229 6.416 369 HA SER 61 HA SER 61 4.657 -13.555 5.758 370 1HB SER 61 1HB SER 61 7.156 -14.195 7.058 371 2HB SER 61 2HB SER 61 6.555 -14.716 5.486 372 HG SER 61 HG SER 61 7.369 -12.838 4.575 373 H LEU 62 H LEU 62 4.233 -11.481 7.888 374 HA LEU 62 HA LEU 62 4.397 -13.206 10.255 375 1HB LEU 62 1HB LEU 62 5.453 -10.974 10.394 376 2HB LEU 62 2HB LEU 62 3.901 -10.233 10.083 377 HG LEU 62 HG LEU 62 3.044 -11.156 12.202 378 H1 MET 101 H1 MET 101 -3.936 -20.836 9.405 379 H2 MET 101 H2 MET 101 -2.975 -22.202 9.649 380 H3 MET 101 H3 MET 101 -2.259 -20.679 9.513 381 HA MET 101 HA MET 101 -1.946 -21.888 7.492 382 1HB MET 101 1HB MET 101 -3.988 -23.310 7.807 383 2HB MET 101 2HB MET 101 -4.959 -21.937 7.290 384 1HG MET 101 1HG MET 101 -3.739 -21.939 5.141 385 2HG MET 101 2HG MET 101 -2.887 -23.392 5.663 386 1HE MET 101 1HE MET 101 -6.096 -21.853 4.225 387 2HE MET 101 2HE MET 101 -7.327 -23.086 4.500 388 3HE MET 101 3HE MET 101 -6.682 -22.164 5.858 389 H LYS 102 H LYS 102 -4.916 -19.908 7.615 390 HA LYS 102 HA LYS 102 -3.524 -17.639 6.488 391 1HB LYS 102 1HB LYS 102 -4.029 -18.809 4.437 392 2HB LYS 102 2HB LYS 102 -5.689 -19.081 4.946 393 1HG LYS 102 1HG LYS 102 -5.891 -16.529 5.001 394 2HG LYS 102 2HG LYS 102 -4.393 -16.526 4.070 395 1HD LYS 102 1HD LYS 102 -5.391 -17.641 2.258 396 2HD LYS 102 2HD LYS 102 -6.777 -18.149 3.225 397 1HE LYS 102 1HE LYS 102 -6.128 -15.307 2.461 398 2HE LYS 102 2HE LYS 102 -7.335 -16.325 1.677 399 1HZ LYS 102 1HZ LYS 102 -8.483 -16.481 3.833 400 2HZ LYS 102 2HZ LYS 102 -7.372 -15.392 4.498 401 3HZ LYS 102 3HZ LYS 102 -8.408 -14.893 3.252 402 HA PRO 103 HA PRO 103 -6.716 -15.997 9.185 403 1HB PRO 103 1HB PRO 103 -5.633 -13.387 8.526 404 2HB PRO 103 2HB PRO 103 -5.666 -14.215 10.082 405 1HG PRO 103 1HG PRO 103 -3.379 -13.814 8.698 406 2HG PRO 103 2HG PRO 103 -3.634 -15.225 9.741 407 1HD PRO 103 1HD PRO 103 -3.808 -15.013 6.758 408 2HD PRO 103 2HD PRO 103 -3.126 -16.314 7.764 409 H VAL 104 H VAL 104 -8.296 -14.163 9.017 410 HA VAL 104 HA VAL 104 -9.497 -14.225 6.380 411 HB VAL 104 HB VAL 104 -10.621 -12.741 8.719 412 H THR 105 H THR 105 -10.239 -12.271 5.331 413 HA THR 105 HA THR 105 -9.117 -9.778 6.312 414 HB THR 105 HB THR 105 -8.236 -9.290 3.936 415 HG1 THR 105 HG1 THR 105 -8.662 -12.054 3.844 416 H LEU 106 H LEU 106 -9.734 -8.005 4.633 417 HA LEU 106 HA LEU 106 -12.595 -8.147 4.489 418 1HB LEU 106 1HB LEU 106 -11.956 -6.026 2.854 419 2HB LEU 106 2HB LEU 106 -12.378 -5.939 4.550 420 HG LEU 106 HG LEU 106 -9.801 -6.261 4.899 421 H TYR 107 H TYR 107 -10.021 -8.877 2.318 422 HA TYR 107 HA TYR 107 -11.398 -8.701 -0.127 423 1HB TYR 107 1HB TYR 107 -9.026 -10.272 0.848 424 2HB TYR 107 2HB TYR 107 -9.667 -10.517 -0.769 425 HD1 TYR 107 HD1 TYR 107 -7.772 -8.319 1.411 426 HD2 TYR 107 HD2 TYR 107 -9.509 -8.727 -2.445 427 HE1 TYR 107 HE1 TYR 107 -6.377 -6.469 0.596 428 HE2 TYR 107 HE2 TYR 107 -8.126 -6.869 -3.276 429 HH TYR 107 HH TYR 107 -5.476 -5.658 -1.555 430 H ASP 108 H ASP 108 -10.976 -11.229 2.264 431 HA ASP 108 HA ASP 108 -12.187 -13.352 0.914 432 1HB ASP 108 1HB ASP 108 -11.717 -12.664 3.822 433 2HB ASP 108 2HB ASP 108 -12.484 -14.173 3.356 434 H VAL 109 H VAL 109 -13.457 -11.331 3.527 435 HA VAL 109 HA VAL 109 -16.050 -12.327 3.170 436 HB VAL 109 HB VAL 109 -16.504 -11.351 5.068 437 H ALA 110 H ALA 110 -14.339 -9.837 1.528 438 HA ALA 110 HA ALA 110 -16.628 -8.536 0.422 439 1HB ALA 110 1HB ALA 110 -13.846 -8.683 -0.731 440 2HB ALA 110 2HB ALA 110 -15.098 -7.512 -1.142 441 3HB ALA 110 3HB ALA 110 -14.372 -7.496 0.465 442 H GLU 111 H GLU 111 -14.570 -11.188 -0.408 443 HA GLU 111 HA GLU 111 -15.574 -11.677 -3.021 444 1HB GLU 111 1HB GLU 111 -13.583 -12.671 -1.265 445 2HB GLU 111 2HB GLU 111 -14.537 -14.044 -1.778 446 1HG GLU 111 1HG GLU 111 -13.172 -12.054 -3.580 447 2HG GLU 111 2HG GLU 111 -12.637 -13.691 -3.238 448 H TYR 112 H TYR 112 -16.133 -12.981 0.155 449 HA TYR 112 HA TYR 112 -18.058 -14.926 -0.371 450 1HB TYR 112 1HB TYR 112 -16.758 -13.922 1.777 451 2HB TYR 112 2HB TYR 112 -18.360 -13.298 2.034 452 HD1 TYR 112 HD1 TYR 112 -17.012 -16.579 0.861 453 HD2 TYR 112 HD2 TYR 112 -19.520 -14.483 3.569 454 HE1 TYR 112 HE1 TYR 112 -17.701 -18.711 1.871 455 HE2 TYR 112 HE2 TYR 112 -20.211 -16.577 4.586 456 HH TYR 112 HH TYR 112 -20.048 -18.818 4.562 457 H ALA 113 H ALA 113 -18.392 -11.686 0.743 458 HA ALA 113 HA ALA 113 -21.184 -11.505 0.520 459 1HB ALA 113 1HB ALA 113 -20.047 -10.016 1.981 460 2HB ALA 113 2HB ALA 113 -20.836 -9.048 0.734 461 3HB ALA 113 3HB ALA 113 -19.102 -9.346 0.651 462 H GLY 114 H GLY 114 -18.708 -11.340 -1.848 463 1HA GLY 114 1HA GLY 114 -20.702 -10.624 -3.886 464 2HA GLY 114 2HA GLY 114 -19.254 -11.585 -4.155 465 H VAL 115 H VAL 115 -20.025 -8.507 -2.729 466 HA VAL 115 HA VAL 115 -19.043 -6.675 -4.335 467 HB VAL 115 HB VAL 115 -18.914 -5.213 -2.433 468 H SER 116 H SER 116 -17.321 -5.070 -3.197 469 HA SER 116 HA SER 116 -14.713 -6.372 -3.624 470 1HB SER 116 1HB SER 116 -13.872 -4.320 -4.472 471 2HB SER 116 2HB SER 116 -15.455 -4.521 -5.216 472 HG SER 116 HG SER 116 -16.294 -3.019 -3.803 473 H VAL 117 H VAL 117 -12.989 -4.605 -2.598 474 HA VAL 117 HA VAL 117 -13.372 -5.021 0.226 475 HB VAL 117 HB VAL 117 -11.108 -4.068 0.430 476 H ALA 118 H ALA 118 -13.766 -2.591 -2.125 477 HA ALA 118 HA ALA 118 -13.623 -0.310 -0.495 478 1HB ALA 118 1HB ALA 118 -15.178 -0.748 -3.039 479 2HB ALA 118 2HB ALA 118 -14.795 0.814 -2.315 480 3HB ALA 118 3HB ALA 118 -13.503 -0.213 -2.934 481 H THR 119 H THR 119 -16.071 -2.710 -1.123 482 HA THR 119 HA THR 119 -18.169 -1.195 0.073 483 HB THR 119 HB THR 119 -18.426 -4.123 -0.181 484 HG1 THR 119 HG1 THR 119 -18.757 -2.871 -2.596 485 H VAL 120 H VAL 120 -16.289 -4.028 0.956 486 HA VAL 120 HA VAL 120 -17.435 -4.489 3.464 487 HB VAL 120 HB VAL 120 -14.762 -5.271 2.350 488 H SER 121 H SER 121 -14.517 -2.611 2.662 489 HA SER 121 HA SER 121 -13.691 -2.173 5.290 490 1HB SER 121 1HB SER 121 -12.086 -1.595 3.714 491 2HB SER 121 2HB SER 121 -13.246 -0.755 2.692 492 HG SER 121 HG SER 121 -11.734 0.182 4.765 493 H ARG 122 H ARG 122 -16.145 -0.620 3.301 494 HA ARG 122 HA ARG 122 -16.584 1.589 4.982 495 1HB ARG 122 1HB ARG 122 -18.513 0.138 3.197 496 2HB ARG 122 2HB ARG 122 -18.780 1.716 3.902 497 1HG ARG 122 1HG ARG 122 -16.477 1.131 2.078 498 2HG ARG 122 2HG ARG 122 -18.037 1.711 1.505 499 1HD ARG 122 1HD ARG 122 -17.426 3.451 3.553 500 2HD ARG 122 2HD ARG 122 -15.861 3.147 2.803 501 HE ARG 122 HE ARG 122 -17.587 3.669 0.721 502 1HH1 ARG 122 1HH1 ARG 122 -16.443 5.373 3.557 503 1HH2 ARG 122 1HH2 ARG 122 -17.884 5.771 -0.202 504 2HH1 ARG 122 2HH1 ARG 122 -16.668 6.949 2.863 505 2HH2 ARG 122 2HH2 ARG 122 -17.465 7.171 0.732 506 H VAL 123 H VAL 123 -18.002 -1.618 4.872 507 HA VAL 123 HA VAL 123 -19.832 -1.150 7.025 508 HB VAL 123 HB VAL 123 -18.828 -3.812 6.031 509 H VAL 124 H VAL 124 -16.660 -2.554 6.668 510 HA VAL 124 HA VAL 124 -16.185 -3.381 9.283 511 HB VAL 124 HB VAL 124 -14.571 -2.562 6.922 512 H ASN 125 H ASN 125 -16.170 -0.335 7.692 513 HA ASN 125 HA ASN 125 -15.149 1.150 10.007 514 1HB ASN 125 1HB ASN 125 -15.732 1.763 7.142 515 2HB ASN 125 2HB ASN 125 -15.878 3.089 8.286 516 1HD2 ASN 125 1HD2 ASN 125 -13.759 0.990 6.593 517 1HD2 ASN 125 1HD2 ASN 125 -12.275 1.747 7.096 518 H GLN 126 H GLN 126 -17.787 -0.320 9.891 519 HA GLN 126 HA GLN 126 -19.854 -0.092 10.759 520 1HB GLN 126 1HB GLN 126 -19.684 2.620 11.777 521 2HB GLN 126 2HB GLN 126 -20.091 1.140 12.617 522 1HG GLN 126 1HG GLN 126 -17.347 2.177 12.031 523 2HG GLN 126 2HG GLN 126 -18.150 2.192 13.596 524 H ALA 127 H ALA 127 -19.596 0.361 8.188 525 HA ALA 127 HA ALA 127 -20.108 1.442 6.302 526 1HB ALA 127 1HB ALA 127 -22.053 0.219 7.022 527 2HB ALA 127 2HB ALA 127 -22.687 1.676 7.791 528 3HB ALA 127 3HB ALA 127 -22.467 1.627 6.041 529 H SER 128 H SER 128 -20.609 3.197 5.109 530 HA SER 128 HA SER 128 -20.803 5.753 6.483 531 1HB SER 128 1HB SER 128 -19.360 5.815 3.965 532 2HB SER 128 2HB SER 128 -18.913 6.523 5.511 533 HG SER 128 HG SER 128 -17.610 4.909 5.805 534 H HIS 129 H HIS 129 -21.168 3.936 3.536 535 HA HIS 129 HA HIS 129 -23.625 5.382 2.913 536 1HB HIS 129 1HB HIS 129 -21.156 5.332 1.233 537 2HB HIS 129 2HB HIS 129 -22.714 5.251 0.419 538 HD1 HIS 129 HD1 HIS 129 -23.912 7.279 2.781 539 HD2 HIS 129 HD2 HIS 129 -20.830 7.893 0.062 540 HE1 HIS 129 HE1 HIS 129 -23.711 9.771 2.541 541 HE2 HIS 129 HE2 HIS 129 -21.730 10.121 1.019 542 H VAL 130 H VAL 130 -22.453 2.554 3.645 543 HA VAL 130 HA VAL 130 -23.251 0.923 1.454 544 HB VAL 130 HB VAL 130 -21.977 0.519 4.084 545 H SER 131 H SER 131 -25.149 -0.134 1.228 546 HA SER 131 HA SER 131 -27.362 0.858 2.665 547 1HB SER 131 1HB SER 131 -28.235 -1.407 1.300 548 2HB SER 131 2HB SER 131 -28.210 0.237 0.651 549 HG SER 131 HG SER 131 -27.091 -1.159 -0.730 550 H ALA 132 H ALA 132 -28.792 -0.334 4.032 551 HA ALA 132 HA ALA 132 -27.665 -1.738 6.097 552 1HB ALA 132 1HB ALA 132 -29.935 -0.723 6.069 553 2HB ALA 132 2HB ALA 132 -29.871 -2.327 6.796 554 3HB ALA 132 3HB ALA 132 -30.499 -2.127 5.162 555 H LYS 133 H LYS 133 -29.256 -3.121 3.233 556 HA LYS 133 HA LYS 133 -29.019 -5.805 3.983 557 1HB LYS 133 1HB LYS 133 -30.034 -4.423 1.783 558 2HB LYS 133 2HB LYS 133 -28.786 -5.476 1.135 559 1HG LYS 133 1HG LYS 133 -30.971 -6.558 1.099 560 2HG LYS 133 2HG LYS 133 -29.847 -7.408 2.161 561 1HD LYS 133 1HD LYS 133 -30.931 -5.814 3.982 562 2HD LYS 133 2HD LYS 133 -32.262 -5.819 2.833 563 1HE LYS 133 1HE LYS 133 -32.731 -8.014 3.152 564 2HE LYS 133 2HE LYS 133 -31.059 -8.415 3.521 565 1HZ LYS 133 1HZ LYS 133 -32.845 -6.915 5.348 566 2HZ LYS 133 2HZ LYS 133 -32.559 -8.579 5.450 567 3HZ LYS 133 3HZ LYS 133 -31.288 -7.487 5.696 568 H THR 134 H THR 134 -26.811 -3.727 2.200 569 HA THR 134 HA THR 134 -24.907 -5.720 1.603 570 HB THR 134 HB THR 134 -24.380 -2.818 1.967 571 HG1 THR 134 HG1 THR 134 -25.476 -2.514 0.175 572 H ARG 135 H ARG 135 -25.184 -3.393 4.213 573 HA ARG 135 HA ARG 135 -22.890 -3.950 5.603 574 1HB ARG 135 1HB ARG 135 -24.326 -2.167 6.306 575 2HB ARG 135 2HB ARG 135 -25.656 -3.275 6.606 576 1HG ARG 135 1HG ARG 135 -23.154 -3.652 8.151 577 2HG ARG 135 2HG ARG 135 -24.188 -2.298 8.563 578 1HD ARG 135 1HD ARG 135 -26.069 -3.882 8.753 579 2HD ARG 135 2HD ARG 135 -24.930 -5.186 8.488 580 HE ARG 135 HE ARG 135 -23.829 -4.534 10.568 581 1HH1 ARG 135 1HH1 ARG 135 -27.114 -3.429 10.012 582 1HH2 ARG 135 1HH2 ARG 135 -24.244 -4.154 12.760 583 2HH1 ARG 135 2HH1 ARG 135 -27.430 -3.148 11.692 584 2HH2 ARG 135 2HH2 ARG 135 -25.803 -3.577 13.258 585 H GLU 136 H GLU 136 -25.961 -5.592 5.735 586 HA GLU 136 HA GLU 136 -25.213 -7.557 7.643 587 1HB GLU 136 1HB GLU 136 -27.393 -7.607 5.595 588 2HB GLU 136 2HB GLU 136 -27.244 -8.742 6.910 589 1HG GLU 136 1HG GLU 136 -27.898 -7.226 8.465 590 2HG GLU 136 2HG GLU 136 -27.392 -5.851 7.490 591 H LYS 137 H LYS 137 -25.230 -7.337 4.190 592 HA LYS 137 HA LYS 137 -24.675 -9.890 3.337 593 1HB LYS 137 1HB LYS 137 -25.172 -7.967 1.863 594 2HB LYS 137 2HB LYS 137 -23.613 -7.276 2.268 595 1HG LYS 137 1HG LYS 137 -22.681 -9.519 1.381 596 2HG LYS 137 2HG LYS 137 -24.229 -9.605 0.531 597 1HD LYS 137 1HD LYS 137 -22.409 -7.203 0.414 598 2HD LYS 137 2HD LYS 137 -22.323 -8.535 -0.742 599 1HE LYS 137 1HE LYS 137 -24.728 -6.809 -0.209 600 2HE LYS 137 2HE LYS 137 -23.650 -6.659 -1.590 601 1HZ LYS 137 1HZ LYS 137 -24.276 -9.066 -2.055 602 2HZ LYS 137 2HZ LYS 137 -25.558 -8.826 -0.980 603 3HZ LYS 137 3HZ LYS 137 -25.442 -7.885 -2.375 604 H VAL 138 H VAL 138 -22.453 -7.412 4.268 605 HA VAL 138 HA VAL 138 -20.180 -9.161 3.909 606 HB VAL 138 HB VAL 138 -18.830 -7.442 3.724 607 H GLU 139 H GLU 139 -21.948 -7.736 6.640 608 HA GLU 139 HA GLU 139 -20.053 -8.384 8.597 609 1HB GLU 139 1HB GLU 139 -23.032 -7.975 8.630 610 2HB GLU 139 2HB GLU 139 -22.119 -8.338 10.073 611 1HG GLU 139 1HG GLU 139 -20.778 -6.241 8.776 612 2HG GLU 139 2HG GLU 139 -22.498 -5.843 8.769 613 H ALA 140 H ALA 140 -22.714 -10.110 7.125 614 HA ALA 140 HA ALA 140 -22.577 -12.407 8.715 615 1HB ALA 140 1HB ALA 140 -23.444 -12.155 5.840 616 2HB ALA 140 2HB ALA 140 -24.478 -11.955 7.253 617 3HB ALA 140 3HB ALA 140 -23.777 -13.532 6.892 618 H ALA 141 H ALA 141 -20.946 -11.451 5.778 619 HA ALA 141 HA ALA 141 -19.562 -13.825 5.266 620 1HB ALA 141 1HB ALA 141 -19.769 -12.084 3.585 621 2HB ALA 141 2HB ALA 141 -18.067 -12.420 3.904 622 3HB ALA 141 3HB ALA 141 -18.823 -10.979 4.585 623 H MET 142 H MET 142 -18.743 -10.914 7.089 624 HA MET 142 HA MET 142 -16.163 -11.545 7.847 625 1HB MET 142 1HB MET 142 -18.298 -10.028 9.327 626 2HB MET 142 2HB MET 142 -16.626 -10.103 9.835 627 1HG MET 142 1HG MET 142 -16.105 -9.133 7.510 628 2HG MET 142 2HG MET 142 -17.822 -8.710 7.482 629 1HE MET 142 1HE MET 142 -17.053 -6.261 7.103 630 2HE MET 142 2HE MET 142 -18.447 -6.234 8.185 631 3HE MET 142 3HE MET 142 -17.060 -5.193 8.509 632 H ALA 143 H ALA 143 -19.223 -12.336 9.222 633 HA ALA 143 HA ALA 143 -18.383 -13.442 11.662 634 1HB ALA 143 1HB ALA 143 -20.651 -14.358 11.781 635 2HB ALA 143 2HB ALA 143 -20.901 -13.904 10.091 636 3HB ALA 143 3HB ALA 143 -20.632 -12.658 11.311 637 H GLU 144 H GLU 144 -19.275 -15.041 8.637 638 HA GLU 144 HA GLU 144 -19.070 -17.664 9.528 639 1HB GLU 144 1HB GLU 144 -18.477 -16.670 6.781 640 2HB GLU 144 2HB GLU 144 -19.016 -18.273 7.233 641 1HG GLU 144 1HG GLU 144 -21.015 -16.878 8.271 642 2HG GLU 144 2HG GLU 144 -20.514 -15.754 7.014 643 H LEU 145 H LEU 145 -16.763 -15.622 7.937 644 HA LEU 145 HA LEU 145 -14.658 -17.528 7.926 645 1HB LEU 145 1HB LEU 145 -14.380 -14.555 7.609 646 2HB LEU 145 2HB LEU 145 -13.416 -15.827 6.895 647 HG LEU 145 HG LEU 145 -16.307 -15.622 6.182 648 H ASN 146 H ASN 146 -15.766 -15.121 10.148 649 HA ASN 146 HA ASN 146 -15.155 -14.539 12.238 650 1HB ASN 146 1HB ASN 146 -14.729 -16.890 12.696 651 2HB ASN 146 2HB ASN 146 -13.149 -16.744 11.968 652 1HD2 ASN 146 1HD2 ASN 146 -15.131 -15.614 14.581 653 1HD2 ASN 146 1HD2 ASN 146 -13.829 -15.337 15.679 654 H TYR 147 H TYR 147 -14.614 -12.923 10.536 655 HA TYR 147 HA TYR 147 -12.093 -12.252 9.702 656 1HB TYR 147 1HB TYR 147 -14.240 -11.342 8.868 657 2HB TYR 147 2HB TYR 147 -14.343 -10.348 10.311 658 HD1 TYR 147 HD1 TYR 147 -10.997 -10.725 8.967 659 HD2 TYR 147 HD2 TYR 147 -14.580 -8.450 8.709 660 HE1 TYR 147 HE1 TYR 147 -9.756 -8.899 7.893 661 HE2 TYR 147 HE2 TYR 147 -13.351 -6.632 7.625 662 HH TYR 147 HH TYR 147 -9.852 -6.807 7.146 663 H ILE 148 H ILE 148 -12.807 -9.426 11.027 664 HA ILE 148 HA ILE 148 -12.167 -8.156 12.832 665 HB ILE 148 HB ILE 148 -10.762 -10.664 13.668 666 HA PRO 149 HA PRO 149 -8.869 -7.050 10.066 667 1HB PRO 149 1HB PRO 149 -9.221 -4.440 10.127 668 2HB PRO 149 2HB PRO 149 -10.494 -5.491 9.481 669 1HG PRO 149 1HG PRO 149 -10.288 -4.193 12.168 670 2HG PRO 149 2HG PRO 149 -11.692 -4.334 11.094 671 1HD PRO 149 1HD PRO 149 -11.133 -6.017 13.249 672 2HD PRO 149 2HD PRO 149 -12.232 -6.411 11.911 673 H ASN 150 H ASN 150 -6.943 -5.944 10.008 674 HA ASN 150 HA ASN 150 -5.495 -5.827 12.451 675 1HB ASN 150 1HB ASN 150 -4.878 -5.637 9.557 676 2HB ASN 150 2HB ASN 150 -3.775 -4.796 10.659 677 1HD2 ASN 150 1HD2 ASN 150 -3.478 -7.176 8.934 678 1HD2 ASN 150 1HD2 ASN 150 -2.890 -8.416 9.995 679 H ARG 151 H ARG 151 -5.443 -4.192 13.735 680 HA ARG 151 HA ARG 151 -6.678 -1.743 13.292 681 1HB ARG 151 1HB ARG 151 -5.966 -2.921 15.486 682 2HB ARG 151 2HB ARG 151 -4.489 -1.998 15.278 683 1HG ARG 151 1HG ARG 151 -5.933 -0.777 16.722 684 2HG ARG 151 2HG ARG 151 -5.863 0.070 15.187 685 1HD ARG 151 1HD ARG 151 -7.972 -1.169 14.589 686 2HD ARG 151 2HD ARG 151 -8.054 -1.632 16.275 687 HE ARG 151 HE ARG 151 -7.902 0.950 16.597 688 1HH1 ARG 151 1HH1 ARG 151 -9.717 -0.775 14.147 689 1HH2 ARG 151 1HH2 ARG 151 -9.492 2.566 16.412 690 2HH1 ARG 151 2HH1 ARG 151 -10.937 0.452 14.015 691 2HH2 ARG 151 2HH2 ARG 151 -10.810 2.356 15.300 692 H CYS 152 H CYS 152 -3.522 -2.717 12.337 693 HA CYS 152 HA CYS 152 -2.449 -0.019 12.271 694 1HB CYS 152 1HB CYS 152 -1.210 -2.381 12.483 695 2HB CYS 152 2HB CYS 152 -1.202 -2.218 10.729 696 H ALA 153 H ALA 153 -3.270 -2.458 9.867 697 HA ALA 153 HA ALA 153 -3.059 -0.910 7.621 698 1HB ALA 153 1HB ALA 153 -5.223 -2.955 8.125 699 2HB ALA 153 2HB ALA 153 -4.655 -2.394 6.552 700 3HB ALA 153 3HB ALA 153 -3.580 -3.318 7.598 701 H GLN 154 H GLN 154 -5.709 -1.061 9.931 702 HA GLN 154 HA GLN 154 -7.523 0.643 8.612 703 1HB GLN 154 1HB GLN 154 -7.111 0.108 11.555 704 2HB GLN 154 2HB GLN 154 -8.514 0.884 10.850 705 1HG GLN 154 1HG GLN 154 -8.697 -1.285 9.449 706 2HG GLN 154 2HG GLN 154 -7.682 -1.965 10.715 707 H GLN 155 H GLN 155 -5.068 1.188 11.097 708 HA GLN 155 HA GLN 155 -5.442 3.946 11.423 709 1HB GLN 155 1HB GLN 155 -3.204 2.063 11.970 710 2HB GLN 155 2HB GLN 155 -2.915 3.786 12.124 711 1HG GLN 155 1HG GLN 155 -4.378 1.944 13.829 712 2HG GLN 155 2HG GLN 155 -3.593 3.477 14.229 713 H LEU 156 H LEU 156 -3.050 2.216 9.462 714 HA LEU 156 HA LEU 156 -1.838 4.431 8.292 715 1HB LEU 156 1HB LEU 156 -1.237 1.919 8.305 716 2HB LEU 156 2HB LEU 156 -2.251 1.823 6.873 717 HG LEU 156 HG LEU 156 -0.796 3.316 5.666 718 H ALA 157 H ALA 157 -4.138 2.283 6.785 719 HA ALA 157 HA ALA 157 -4.721 3.800 4.537 720 1HB ALA 157 1HB ALA 157 -6.766 2.042 5.873 721 2HB ALA 157 2HB ALA 157 -6.632 2.441 4.161 722 3HB ALA 157 3HB ALA 157 -5.415 1.422 4.928 723 H GLY 158 H GLY 158 -6.008 4.171 7.758 724 1HA GLY 158 1HA GLY 158 -7.733 5.530 8.539 725 2HA GLY 158 2HA GLY 158 -8.056 6.026 6.884 726 H LYS 159 H LYS 159 -4.881 6.324 7.119 727 HA LYS 159 HA LYS 159 -4.892 8.972 8.340 728 1HB LYS 159 1HB LYS 159 -3.262 7.092 9.031 729 2HB LYS 159 2HB LYS 159 -2.450 7.470 7.526 730 1HG LYS 159 1HG LYS 159 -2.551 9.923 8.497 731 2HG LYS 159 2HG LYS 159 -2.624 9.042 10.025 732 1HD LYS 159 1HD LYS 159 -0.338 9.460 9.619 733 2HD LYS 159 2HD LYS 159 -0.590 7.761 9.217 734 1HE LYS 159 1HE LYS 159 0.767 8.754 7.507 735 2HE LYS 159 2HE LYS 159 -0.826 8.418 6.837 736 1HZ LYS 159 1HZ LYS 159 -1.182 10.914 7.661 737 2HZ LYS 159 2HZ LYS 159 0.474 10.968 7.322 738 3HZ LYS 159 3HZ LYS 159 -0.622 10.521 6.114 739 H GLN 160 H GLN 160 -6.043 8.725 5.780 740 HA GLN 160 HA GLN 160 -4.255 9.270 3.689 741 1HB GLN 160 1HB GLN 160 -7.116 10.101 3.867 742 2HB GLN 160 2HB GLN 160 -6.173 9.885 2.422 743 1HG GLN 160 1HG GLN 160 -6.536 7.709 2.356 744 2HG GLN 160 2HG GLN 160 -6.312 7.522 4.090 745 H SER 161 H SER 161 -6.392 11.409 5.489 746 HA SER 161 HA SER 161 -4.789 13.701 4.587 747 1HB SER 161 1HB SER 161 -7.404 14.178 5.838 748 2HB SER 161 2HB SER 161 -6.700 14.901 4.397 749 HG SER 161 HG SER 161 -7.115 12.808 3.372 750 H LEU 162 H LEU 162 -4.585 11.785 7.029 751 HA LEU 162 HA LEU 162 -4.723 13.761 9.172 752 1HB LEU 162 1HB LEU 162 -5.707 11.563 9.600 753 2HB LEU 162 2HB LEU 162 -4.177 10.792 9.242 754 HG LEU 162 HG LEU 162 -3.178 11.925 11.213 No H/Q in entry = 754 Start of MODEL 15 1 H1 MET 1 H1 MET 1 -0.777 16.557 7.005 2 H2 MET 1 H2 MET 1 -0.116 17.740 5.989 3 H3 MET 1 H3 MET 1 -1.689 17.918 6.574 4 HA MET 1 HA MET 1 -2.447 16.046 5.321 5 1HB MET 1 1HB MET 1 -2.441 18.221 4.191 6 2HB MET 1 2HB MET 1 -0.796 17.939 3.639 7 1HG MET 1 1HG MET 1 -2.226 17.487 1.814 8 2HG MET 1 2HG MET 1 -1.642 15.934 2.406 9 1HE MET 1 1HE MET 1 -4.532 18.332 1.888 10 2HE MET 1 2HE MET 1 -5.918 17.579 2.676 11 3HE MET 1 3HE MET 1 -4.653 18.336 3.646 12 H LYS 2 H LYS 2 0.862 16.763 4.175 13 HA LYS 2 HA LYS 2 1.425 13.893 4.219 14 1HB LYS 2 1HB LYS 2 0.761 14.327 1.924 15 2HB LYS 2 2HB LYS 2 1.845 15.708 1.833 16 1HG LYS 2 1HG LYS 2 3.325 13.373 2.579 17 2HG LYS 2 2HG LYS 2 2.377 13.052 1.125 18 1HD LYS 2 1HD LYS 2 3.352 14.925 -0.008 19 2HD LYS 2 2HD LYS 2 4.131 15.480 1.472 20 1HE LYS 2 1HE LYS 2 4.879 12.761 0.892 21 2HE LYS 2 2HE LYS 2 5.200 13.796 -0.497 22 1HZ LYS 2 1HZ LYS 2 6.140 14.312 2.277 23 2HZ LYS 2 2HZ LYS 2 7.093 13.673 1.030 24 3HZ LYS 2 3HZ LYS 2 6.493 15.254 0.917 25 HA PRO 3 HA PRO 3 4.998 15.953 6.099 26 1HB PRO 3 1HB PRO 3 5.587 13.355 7.224 27 2HB PRO 3 2HB PRO 3 5.127 14.836 8.059 28 1HG PRO 3 1HG PRO 3 3.515 12.649 7.920 29 2HG PRO 3 2HG PRO 3 2.894 14.305 8.044 30 1HD PRO 3 1HD PRO 3 3.144 12.547 5.628 31 2HD PRO 3 2HD PRO 3 1.823 13.642 6.095 32 H VAL 4 H VAL 4 7.348 14.885 6.423 33 HA VAL 4 HA VAL 4 8.289 14.303 3.799 34 HB VAL 4 HB VAL 4 9.837 13.866 6.337 35 H THR 5 H THR 5 9.415 12.283 3.182 36 HA THR 5 HA THR 5 8.662 9.982 4.825 37 HB THR 5 HB THR 5 7.713 8.831 2.745 38 HG1 THR 5 HG1 THR 5 7.940 11.491 1.870 39 H LEU 6 H LEU 6 9.268 7.923 3.418 40 HA LEU 6 HA LEU 6 12.130 8.116 3.202 41 1HB LEU 6 1HB LEU 6 11.447 5.697 1.989 42 2HB LEU 6 2HB LEU 6 12.026 5.939 3.622 43 HG LEU 6 HG LEU 6 9.442 6.345 4.066 44 H TYR 7 H TYR 7 9.477 8.353 1.015 45 HA TYR 7 HA TYR 7 10.804 7.775 -1.397 46 1HB TYR 7 1HB TYR 7 8.395 9.426 -0.673 47 2HB TYR 7 2HB TYR 7 8.988 9.349 -2.327 48 HD1 TYR 7 HD1 TYR 7 7.325 7.530 0.357 49 HD2 TYR 7 HD2 TYR 7 8.777 7.300 -3.631 50 HE1 TYR 7 HE1 TYR 7 5.993 5.498 -0.003 51 HE2 TYR 7 HE2 TYR 7 7.454 5.256 -4.001 52 HH TYR 7 HH TYR 7 4.977 4.349 -2.348 53 H ASP 8 H ASP 8 10.422 10.655 0.537 54 HA ASP 8 HA ASP 8 11.476 12.516 -1.302 55 1HB ASP 8 1HB ASP 8 11.037 12.488 1.705 56 2HB ASP 8 2HB ASP 8 11.582 13.917 0.844 57 H VAL 9 H VAL 9 12.835 11.060 1.672 58 HA VAL 9 HA VAL 9 15.379 12.147 1.139 59 HB VAL 9 HB VAL 9 15.909 11.527 3.174 60 H ALA 10 H ALA 10 13.787 9.315 0.027 61 HA ALA 10 HA ALA 10 16.136 7.932 -0.854 62 1HB ALA 10 1HB ALA 10 13.310 7.697 -1.877 63 2HB ALA 10 2HB ALA 10 14.627 6.567 -2.184 64 3HB ALA 10 3HB ALA 10 13.993 6.758 -0.550 65 H GLU 11 H GLU 11 13.911 10.260 -2.097 66 HA GLU 11 HA GLU 11 14.794 10.297 -4.791 67 1HB GLU 11 1HB GLU 11 12.913 11.690 -3.071 68 2HB GLU 11 2HB GLU 11 13.731 12.832 -4.109 69 1HG GLU 11 1HG GLU 11 13.093 11.095 -5.963 70 2HG GLU 11 2HG GLU 11 11.863 10.632 -4.794 71 H TYR 12 H TYR 12 15.473 12.089 -1.915 72 HA TYR 12 HA TYR 12 17.282 13.999 -2.830 73 1HB TYR 12 1HB TYR 12 16.073 13.247 -0.508 74 2HB TYR 12 2HB TYR 12 17.732 12.815 -0.207 75 HD1 TYR 12 HD1 TYR 12 15.773 15.705 -1.512 76 HD2 TYR 12 HD2 TYR 12 19.079 14.331 0.762 77 HE1 TYR 12 HE1 TYR 12 16.276 18.017 -0.854 78 HE2 TYR 12 HE2 TYR 12 19.591 16.609 1.426 79 HH TYR 12 HH TYR 12 19.177 18.794 1.023 80 H ALA 13 H ALA 13 17.778 10.996 -1.199 81 HA ALA 13 HA ALA 13 20.561 10.873 -1.482 82 1HB ALA 13 1HB ALA 13 18.542 8.729 -0.886 83 2HB ALA 13 2HB ALA 13 19.485 9.671 0.268 84 3HB ALA 13 3HB ALA 13 20.286 8.496 -0.777 85 H GLY 14 H GLY 14 18.033 10.234 -3.690 86 1HA GLY 14 1HA GLY 14 19.981 9.134 -5.590 87 2HA GLY 14 2HA GLY 14 18.543 10.052 -6.016 88 H VAL 15 H VAL 15 19.380 7.253 -4.110 89 HA VAL 15 HA VAL 15 18.296 5.181 -5.250 90 HB VAL 15 HB VAL 15 18.265 4.122 -3.090 91 H SER 16 H SER 16 16.614 3.871 -3.656 92 HA SER 16 HA SER 16 14.008 5.151 -4.157 93 1HB SER 16 1HB SER 16 13.084 3.008 -4.709 94 2HB SER 16 2HB SER 16 14.556 3.199 -5.655 95 HG SER 16 HG SER 16 15.625 1.891 -4.134 96 H VAL 17 H VAL 17 12.352 3.462 -2.851 97 HA VAL 17 HA VAL 17 12.909 4.157 -0.119 98 HB VAL 17 HB VAL 17 10.673 3.273 0.320 99 H ALA 18 H ALA 18 13.381 1.578 -2.220 100 HA ALA 18 HA ALA 18 13.273 -0.577 -0.403 101 1HB ALA 18 1HB ALA 18 14.817 -0.332 -2.979 102 2HB ALA 18 2HB ALA 18 14.446 -1.831 -2.125 103 3HB ALA 18 3HB ALA 18 13.147 -0.875 -2.837 104 H THR 19 H THR 19 15.667 1.852 -1.271 105 HA THR 19 HA THR 19 17.772 0.530 0.124 106 HB THR 19 HB THR 19 18.094 3.359 -0.519 107 HG1 THR 19 HG1 THR 19 18.042 1.859 -2.831 108 H VAL 20 H VAL 20 15.851 3.433 0.537 109 HA VAL 20 HA VAL 20 16.959 4.336 2.915 110 HB VAL 20 HB VAL 20 14.275 4.830 1.680 111 H SER 21 H SER 21 14.110 2.177 2.569 112 HA SER 21 HA SER 21 13.398 2.192 5.256 113 1HB SER 21 1HB SER 21 12.968 0.272 3.004 114 2HB SER 21 2HB SER 21 12.501 -0.187 4.644 115 HG SER 21 HG SER 21 11.068 1.468 4.706 116 H ARG 22 H ARG 22 16.017 0.631 3.592 117 HA ARG 22 HA ARG 22 16.570 -1.351 5.545 118 1HB ARG 22 1HB ARG 22 18.645 0.013 3.882 119 2HB ARG 22 2HB ARG 22 18.656 -1.622 4.493 120 1HG ARG 22 1HG ARG 22 16.759 -0.635 2.397 121 2HG ARG 22 2HG ARG 22 18.295 -1.420 2.048 122 1HD ARG 22 1HD ARG 22 17.478 -3.385 3.388 123 2HD ARG 22 2HD ARG 22 15.900 -2.597 3.445 124 HE ARG 22 HE ARG 22 16.234 -2.601 0.858 125 1HH1 ARG 22 1HH1 ARG 22 16.967 -5.163 3.130 126 1HH2 ARG 22 1HH2 ARG 22 16.106 -4.268 -0.712 127 2HH1 ARG 22 2HH1 ARG 22 16.885 -6.417 1.936 128 2HH2 ARG 22 2HH2 ARG 22 16.385 -5.913 -0.239 129 H VAL 23 H VAL 23 17.910 1.832 4.891 130 HA VAL 23 HA VAL 23 19.585 1.926 7.176 131 HB VAL 23 HB VAL 23 18.468 4.255 5.630 132 H VAL 24 H VAL 24 16.333 3.017 6.489 133 HA VAL 24 HA VAL 24 15.744 4.348 8.833 134 HB VAL 24 HB VAL 24 14.214 2.884 6.751 135 H ASN 25 H ASN 25 15.797 0.940 8.032 136 HA ASN 25 HA ASN 25 14.995 0.218 10.741 137 1HB ASN 25 1HB ASN 25 15.400 -1.269 8.169 138 2HB ASN 25 2HB ASN 25 15.381 -2.147 9.690 139 1HD2 ASN 25 1HD2 ASN 25 13.567 -0.423 7.352 140 1HD2 ASN 25 1HD2 ASN 25 11.997 -0.742 8.026 141 H GLN 26 H GLN 26 17.594 1.522 10.142 142 HA GLN 26 HA GLN 26 19.717 1.443 10.897 143 1HB GLN 26 1HB GLN 26 19.560 -1.020 12.457 144 2HB GLN 26 2HB GLN 26 20.117 0.569 12.937 145 1HG GLN 26 1HG GLN 26 17.287 -0.394 12.808 146 2HG GLN 26 2HG GLN 26 18.223 -0.078 14.266 147 H ALA 27 H ALA 27 19.418 0.610 8.515 148 HA ALA 27 HA ALA 27 20.095 -0.597 6.781 149 1HB ALA 27 1HB ALA 27 22.329 -1.444 8.583 150 2HB ALA 27 2HB ALA 27 22.207 0.141 7.819 151 3HB ALA 27 3HB ALA 27 22.345 -1.310 6.824 152 H SER 28 H SER 28 20.849 -2.675 5.956 153 HA SER 28 HA SER 28 20.271 -5.090 7.332 154 1HB SER 28 1HB SER 28 18.518 -5.020 5.041 155 2HB SER 28 2HB SER 28 18.131 -5.488 6.694 156 HG SER 28 HG SER 28 17.774 -3.305 7.167 157 H HIS 29 H HIS 29 20.155 -3.593 4.179 158 HA HIS 29 HA HIS 29 22.470 -5.110 3.261 159 1HB HIS 29 1HB HIS 29 19.702 -5.396 2.186 160 2HB HIS 29 2HB HIS 29 21.002 -5.279 1.006 161 HD1 HIS 29 HD1 HIS 29 19.797 -7.827 0.710 162 HD2 HIS 29 HD2 HIS 29 22.494 -7.220 3.808 163 HE1 HIS 29 HE1 HIS 29 20.665 -10.105 1.307 164 HE2 HIS 29 HE2 HIS 29 22.443 -9.684 3.033 165 H VAL 30 H VAL 30 22.837 -2.672 3.892 166 HA VAL 30 HA VAL 30 22.666 -1.081 1.450 167 HB VAL 30 HB VAL 30 21.720 -0.404 4.157 168 H SER 31 H SER 31 24.620 -0.347 0.771 169 HA SER 31 HA SER 31 27.015 -0.957 2.062 170 1HB SER 31 1HB SER 31 27.122 1.356 0.262 171 2HB SER 31 2HB SER 31 27.914 -0.220 0.122 172 HG SER 31 HG SER 31 26.455 -0.697 -1.301 173 H ALA 32 H ALA 32 28.563 0.413 3.067 174 HA ALA 32 HA ALA 32 27.686 1.990 5.134 175 1HB ALA 32 1HB ALA 32 29.978 2.767 5.374 176 2HB ALA 32 2HB ALA 32 30.349 2.206 3.743 177 3HB ALA 32 3HB ALA 32 29.933 1.045 5.001 178 H LYS 33 H LYS 33 28.930 3.172 1.992 179 HA LYS 33 HA LYS 33 28.636 5.883 2.544 180 1HB LYS 33 1HB LYS 33 29.410 4.346 0.338 181 2HB LYS 33 2HB LYS 33 28.108 5.390 -0.216 182 1HG LYS 33 1HG LYS 33 30.367 6.518 1.377 183 2HG LYS 33 2HG LYS 33 30.554 6.221 -0.346 184 1HD LYS 33 1HD LYS 33 29.823 8.389 -0.395 185 2HD LYS 33 2HD LYS 33 28.277 7.546 -0.476 186 1HE LYS 33 1HE LYS 33 28.194 9.376 1.132 187 2HE LYS 33 2HE LYS 33 27.993 7.821 1.933 188 1HZ LYS 33 1HZ LYS 33 30.680 8.251 2.030 189 2HZ LYS 33 2HZ LYS 33 30.047 9.796 2.284 190 3HZ LYS 33 3HZ LYS 33 29.596 8.516 3.300 191 H THR 34 H THR 34 26.340 3.611 1.125 192 HA THR 34 HA THR 34 24.325 5.475 0.552 193 HB THR 34 HB THR 34 24.012 2.597 1.235 194 HG1 THR 34 HG1 THR 34 24.141 2.265 -1.033 195 H ARG 35 H ARG 35 24.924 3.462 3.366 196 HA ARG 35 HA ARG 35 22.763 4.069 4.912 197 1HB ARG 35 1HB ARG 35 24.338 2.443 5.659 198 2HB ARG 35 2HB ARG 35 25.646 3.612 5.673 199 1HG ARG 35 1HG ARG 35 23.390 4.241 7.434 200 2HG ARG 35 2HG ARG 35 24.301 2.804 7.861 201 1HD ARG 35 1HD ARG 35 26.358 4.241 7.594 202 2HD ARG 35 2HD ARG 35 25.256 5.604 7.565 203 HE ARG 35 HE ARG 35 25.719 3.815 9.851 204 1HH1 ARG 35 1HH1 ARG 35 24.442 6.772 8.507 205 1HH2 ARG 35 1HH2 ARG 35 25.224 4.706 11.888 206 2HH1 ARG 35 2HH1 ARG 35 24.053 7.470 10.045 207 2HH2 ARG 35 2HH2 ARG 35 24.521 6.292 11.986 208 H GLU 36 H GLU 36 25.668 5.966 4.454 209 HA GLU 36 HA GLU 36 24.850 8.066 6.222 210 1HB GLU 36 1HB GLU 36 27.039 7.901 4.197 211 2HB GLU 36 2HB GLU 36 26.787 9.289 5.226 212 1HG GLU 36 1HG GLU 36 27.610 8.269 7.038 213 2HG GLU 36 2HG GLU 36 27.008 6.687 6.560 214 H LYS 37 H LYS 37 24.785 7.400 2.836 215 HA LYS 37 HA LYS 37 24.171 9.790 1.636 216 1HB LYS 37 1HB LYS 37 24.646 7.695 0.446 217 2HB LYS 37 2HB LYS 37 23.130 7.028 1.020 218 1HG LYS 37 1HG LYS 37 22.104 9.098 -0.157 219 2HG LYS 37 2HG LYS 37 23.604 9.055 -1.091 220 1HD LYS 37 1HD LYS 37 21.836 6.642 -0.705 221 2HD LYS 37 2HD LYS 37 21.639 7.766 -2.053 222 1HE LYS 37 1HE LYS 37 24.159 6.248 -1.426 223 2HE LYS 37 2HE LYS 37 22.971 5.767 -2.630 224 1HZ LYS 37 1HZ LYS 37 24.514 8.304 -2.666 225 2HZ LYS 37 2HZ LYS 37 24.830 6.950 -3.624 226 3HZ LYS 37 3HZ LYS 37 23.387 7.811 -3.829 227 H VAL 38 H VAL 38 21.978 7.505 3.039 228 HA VAL 38 HA VAL 38 19.682 9.089 2.342 229 HB VAL 38 HB VAL 38 18.336 7.376 2.793 230 H GLU 39 H GLU 39 21.573 8.462 5.262 231 HA GLU 39 HA GLU 39 19.768 9.573 7.078 232 1HB GLU 39 1HB GLU 39 22.737 9.169 7.024 233 2HB GLU 39 2HB GLU 39 21.946 9.959 8.369 234 1HG GLU 39 1HG GLU 39 20.524 7.591 7.811 235 2HG GLU 39 2HG GLU 39 22.245 7.206 7.854 236 H ALA 40 H ALA 40 22.392 10.893 5.152 237 HA ALA 40 HA ALA 40 22.277 13.503 6.103 238 1HB ALA 40 1HB ALA 40 24.078 12.617 4.656 239 2HB ALA 40 2HB ALA 40 22.954 12.647 3.297 240 3HB ALA 40 3HB ALA 40 23.433 14.154 4.081 241 H ALA 41 H ALA 41 20.538 11.865 3.588 242 HA ALA 41 HA ALA 41 19.055 14.030 2.620 243 1HB ALA 41 1HB ALA 41 18.479 11.069 2.602 244 2HB ALA 41 2HB ALA 41 17.548 12.270 1.707 245 3HB ALA 41 3HB ALA 41 19.252 12.013 1.327 246 H MET 42 H MET 42 18.315 11.524 5.020 247 HA MET 42 HA MET 42 15.729 12.209 5.651 248 1HB MET 42 1HB MET 42 17.923 11.086 7.360 249 2HB MET 42 2HB MET 42 16.275 11.279 7.920 250 1HG MET 42 1HG MET 42 15.499 9.766 6.173 251 2HG MET 42 2HG MET 42 17.165 9.585 5.608 252 1HE MET 42 1HE MET 42 16.986 7.008 5.758 253 2HE MET 42 2HE MET 42 16.578 6.104 7.218 254 3HE MET 42 3HE MET 42 15.340 7.046 6.389 255 H ALA 43 H ALA 43 18.678 13.602 6.613 256 HA ALA 43 HA ALA 43 17.732 15.047 8.860 257 1HB ALA 43 1HB ALA 43 20.226 15.474 7.242 258 2HB ALA 43 2HB ALA 43 19.897 16.138 8.844 259 3HB ALA 43 3HB ALA 43 20.061 14.399 8.631 260 H GLU 44 H GLU 44 18.335 15.977 5.507 261 HA GLU 44 HA GLU 44 17.975 18.695 5.866 262 1HB GLU 44 1HB GLU 44 17.505 17.177 3.365 263 2HB GLU 44 2HB GLU 44 17.957 18.866 3.524 264 1HG GLU 44 1HG GLU 44 19.854 17.386 4.952 265 2HG GLU 44 2HG GLU 44 19.602 16.573 3.420 266 H LEU 45 H LEU 45 15.728 16.408 4.387 267 HA LEU 45 HA LEU 45 13.656 18.330 4.373 268 1HB LEU 45 1HB LEU 45 12.240 16.189 4.081 269 2HB LEU 45 2HB LEU 45 13.178 16.840 2.782 270 HG LEU 45 HG LEU 45 13.049 14.306 3.214 271 H ASN 46 H ASN 46 14.762 16.109 6.681 272 HA ASN 46 HA ASN 46 14.335 15.886 8.889 273 1HB ASN 46 1HB ASN 46 13.518 18.230 8.896 274 2HB ASN 46 2HB ASN 46 11.938 17.619 8.476 275 1HD2 ASN 46 1HD2 ASN 46 14.281 17.980 10.938 276 1HD2 ASN 46 1HD2 ASN 46 13.268 17.477 12.246 277 H TYR 47 H TYR 47 14.083 13.858 7.838 278 HA TYR 47 HA TYR 47 11.521 12.783 7.250 279 1HB TYR 47 1HB TYR 47 13.505 11.910 6.168 280 2HB TYR 47 2HB TYR 47 14.181 11.458 7.729 281 HD1 TYR 47 HD1 TYR 47 10.888 10.912 6.021 282 HD2 TYR 47 HD2 TYR 47 14.162 9.203 8.130 283 HE1 TYR 47 HE1 TYR 47 9.801 8.709 5.922 284 HE2 TYR 47 HE2 TYR 47 13.079 7.009 8.036 285 HH TYR 47 HH TYR 47 10.258 6.422 6.112 286 H ILE 48 H ILE 48 10.052 11.992 8.551 287 HA ILE 48 HA ILE 48 10.838 10.694 11.065 288 HB ILE 48 HB ILE 48 8.333 12.349 10.805 289 HA PRO 49 HA PRO 49 8.351 7.762 8.626 290 1HB PRO 49 1HB PRO 49 8.953 5.574 10.132 291 2HB PRO 49 2HB PRO 49 10.009 6.200 8.857 292 1HG PRO 49 1HG PRO 49 10.180 6.554 11.810 293 2HG PRO 49 2HG PRO 49 11.478 6.292 10.632 294 1HD PRO 49 1HD PRO 49 10.885 8.731 11.688 295 2HD PRO 49 2HD PRO 49 11.581 8.522 10.069 296 H ASN 50 H ASN 50 6.614 6.124 9.244 297 HA ASN 50 HA ASN 50 5.167 7.142 11.556 298 1HB ASN 50 1HB ASN 50 4.385 6.338 8.808 299 2HB ASN 50 2HB ASN 50 3.306 5.803 10.102 300 1HD2 ASN 50 1HD2 ASN 50 3.315 7.911 7.887 301 1HD2 ASN 50 1HD2 ASN 50 2.721 9.318 8.701 302 H ARG 51 H ARG 51 4.878 5.794 13.171 303 HA ARG 51 HA ARG 51 6.218 3.377 13.381 304 1HB ARG 51 1HB ARG 51 4.695 5.032 15.060 305 2HB ARG 51 2HB ARG 51 3.999 3.424 15.181 306 1HG ARG 51 1HG ARG 51 5.626 3.600 16.884 307 2HG ARG 51 2HG ARG 51 6.300 2.550 15.637 308 1HD ARG 51 1HD ARG 51 6.890 5.446 15.425 309 2HD ARG 51 2HD ARG 51 7.663 4.570 16.741 310 HE ARG 51 HE ARG 51 8.140 4.234 13.886 311 1HH1 ARG 51 1HH1 ARG 51 8.694 3.062 17.133 312 1HH2 ARG 51 1HH2 ARG 51 10.059 3.126 13.332 313 2HH1 ARG 51 2HH1 ARG 51 10.151 2.218 16.722 314 2HH2 ARG 51 2HH2 ARG 51 10.932 2.255 14.559 315 H CYS 52 H CYS 52 2.962 3.921 12.180 316 HA CYS 52 HA CYS 52 2.210 1.140 12.529 317 1HB CYS 52 1HB CYS 52 0.710 3.348 12.483 318 2HB CYS 52 2HB CYS 52 0.660 2.949 10.769 319 H ALA 53 H ALA 53 2.852 3.290 9.823 320 HA ALA 53 HA ALA 53 2.686 1.491 7.763 321 1HB ALA 53 1HB ALA 53 4.781 3.647 8.043 322 2HB ALA 53 2HB ALA 53 4.268 2.879 6.543 323 3HB ALA 53 3HB ALA 53 3.138 3.885 7.448 324 H GLN 54 H GLN 54 5.294 1.983 10.039 325 HA GLN 54 HA GLN 54 7.128 0.159 8.894 326 1HB GLN 54 1HB GLN 54 6.881 1.318 11.666 327 2HB GLN 54 2HB GLN 54 8.260 0.402 11.079 328 1HG GLN 54 1HG GLN 54 8.345 2.158 9.199 329 2HG GLN 54 2HG GLN 54 7.341 3.120 10.275 330 H GLN 55 H GLN 55 4.794 0.022 11.545 331 HA GLN 55 HA GLN 55 5.338 -2.593 12.388 332 1HB GLN 55 1HB GLN 55 2.946 -0.818 12.621 333 2HB GLN 55 2HB GLN 55 2.881 -2.472 13.201 334 1HG GLN 55 1HG GLN 55 4.048 -0.133 14.384 335 2HG GLN 55 2HG GLN 55 3.685 -1.698 15.121 336 H LEU 56 H LEU 56 3.041 -1.362 10.032 337 HA LEU 56 HA LEU 56 1.860 -3.803 9.331 338 1HB LEU 56 1HB LEU 56 1.240 -1.355 8.765 339 2HB LEU 56 2HB LEU 56 2.344 -1.552 7.410 340 HG LEU 56 HG LEU 56 0.984 -3.296 6.476 341 H ALA 57 H ALA 57 4.212 -1.962 7.530 342 HA ALA 57 HA ALA 57 5.004 -3.830 5.672 343 1HB ALA 57 1HB ALA 57 5.694 -1.359 5.873 344 2HB ALA 57 2HB ALA 57 7.048 -1.964 6.830 345 3HB ALA 57 3HB ALA 57 6.842 -2.493 5.160 346 H GLY 58 H GLY 58 5.996 -3.623 9.005 347 1HA GLY 58 1HA GLY 58 7.594 -4.810 10.182 348 2HA GLY 58 2HA GLY 58 8.113 -5.558 8.681 349 H LYS 59 H LYS 59 4.863 -5.921 8.752 350 HA LYS 59 HA LYS 59 4.898 -8.313 10.409 351 1HB LYS 59 1HB LYS 59 3.157 -6.457 10.651 352 2HB LYS 59 2HB LYS 59 2.480 -7.094 9.166 353 1HG LYS 59 1HG LYS 59 2.468 -9.351 10.411 354 2HG LYS 59 2HG LYS 59 2.609 -8.360 11.864 355 1HD LYS 59 1HD LYS 59 0.295 -8.739 11.535 356 2HD LYS 59 2HD LYS 59 0.594 -7.083 10.999 357 1HE LYS 59 1HE LYS 59 -0.851 -8.287 9.434 358 2HE LYS 59 2HE LYS 59 0.681 -7.824 8.696 359 1HZ LYS 59 1HZ LYS 59 0.202 -10.521 9.828 360 2HZ LYS 59 2HZ LYS 59 -0.098 -10.135 8.209 361 3HZ LYS 59 3HZ LYS 59 1.474 -10.019 8.827 362 H GLN 60 H GLN 60 6.198 -8.448 7.837 363 HA GLN 60 HA GLN 60 4.452 -9.672 5.968 364 1HB GLN 60 1HB GLN 60 7.244 -10.452 5.752 365 2HB GLN 60 2HB GLN 60 6.182 -9.732 4.565 366 1HG GLN 60 1HG GLN 60 7.656 -8.048 4.784 367 2HG GLN 60 2HG GLN 60 6.530 -7.606 6.064 368 H SER 61 H SER 61 4.342 -11.848 5.350 369 HA SER 61 HA SER 61 3.903 -14.023 5.837 370 1HB SER 61 1HB SER 61 6.720 -13.802 6.833 371 2HB SER 61 2HB SER 61 5.898 -15.318 6.492 372 HG SER 61 HG SER 61 5.664 -14.598 4.318 373 H LEU 62 H LEU 62 2.550 -12.722 7.654 374 HA LEU 62 HA LEU 62 2.918 -14.307 10.076 375 1HB LEU 62 1HB LEU 62 3.796 -11.735 10.023 376 2HB LEU 62 2HB LEU 62 2.142 -11.504 10.550 377 HG LEU 62 HG LEU 62 2.580 -13.130 12.411 378 H1 MET 101 H1 MET 101 -0.201 -17.104 7.430 379 H2 MET 101 H2 MET 101 1.375 -17.430 7.947 380 H3 MET 101 H3 MET 101 0.626 -15.974 8.387 381 HA MET 101 HA MET 101 2.186 -15.540 6.669 382 1HB MET 101 1HB MET 101 2.177 -17.858 5.748 383 2HB MET 101 2HB MET 101 0.623 -17.525 5.004 384 1HG MET 101 1HG MET 101 2.103 -17.197 3.266 385 2HG MET 101 2HG MET 101 1.836 -15.560 3.865 386 1HE MET 101 1HE MET 101 4.145 -18.554 3.502 387 2HE MET 101 2HE MET 101 5.634 -18.102 4.335 388 3HE MET 101 3HE MET 101 4.195 -18.527 5.264 389 H LYS 102 H LYS 102 -1.014 -16.425 5.364 390 HA LYS 102 HA LYS 102 -1.665 -13.562 5.202 391 1HB LYS 102 1HB LYS 102 -0.982 -14.254 2.959 392 2HB LYS 102 2HB LYS 102 -2.096 -15.615 3.018 393 1HG LYS 102 1HG LYS 102 -3.605 -13.292 3.556 394 2HG LYS 102 2HG LYS 102 -2.578 -12.938 2.165 395 1HD LYS 102 1HD LYS 102 -3.459 -14.755 0.929 396 2HD LYS 102 2HD LYS 102 -4.227 -15.447 2.360 397 1HE LYS 102 1HE LYS 102 -5.109 -12.724 1.810 398 2HE LYS 102 2HE LYS 102 -5.444 -13.832 0.480 399 1HZ LYS 102 1HZ LYS 102 -6.224 -14.307 3.307 400 2HZ LYS 102 2HZ LYS 102 -7.263 -13.707 2.110 401 3HZ LYS 102 3HZ LYS 102 -6.625 -15.272 1.973 402 HA PRO 103 HA PRO 103 -5.109 -15.609 7.347 403 1HB PRO 103 1HB PRO 103 -5.702 -12.927 8.279 404 2HB PRO 103 2HB PRO 103 -5.253 -14.345 9.221 405 1HG PRO 103 1HG PRO 103 -3.627 -12.196 8.924 406 2HG PRO 103 2HG PRO 103 -3.016 -13.849 9.143 407 1HD PRO 103 1HD PRO 103 -3.250 -12.230 6.638 408 2HD PRO 103 2HD PRO 103 -1.959 -13.336 7.153 409 H VAL 104 H VAL 104 -7.454 -14.405 7.732 410 HA VAL 104 HA VAL 104 -8.504 -14.099 5.093 411 HB VAL 104 HB VAL 104 -9.951 -13.445 7.644 412 H THR 105 H THR 105 -9.601 -12.171 4.333 413 HA THR 105 HA THR 105 -8.823 -9.714 5.719 414 HB THR 105 HB THR 105 -7.930 -8.784 3.520 415 HG1 THR 105 HG1 THR 105 -8.162 -11.527 2.897 416 H LEU 106 H LEU 106 -9.496 -7.800 4.229 417 HA LEU 106 HA LEU 106 -12.348 -8.004 4.034 418 1HB LEU 106 1HB LEU 106 -11.659 -5.707 2.600 419 2HB LEU 106 2HB LEU 106 -12.235 -5.794 4.249 420 HG LEU 106 HG LEU 106 -9.632 -6.189 4.704 421 H TYR 107 H TYR 107 -9.710 -8.432 1.868 422 HA TYR 107 HA TYR 107 -11.055 -8.112 -0.586 423 1HB TYR 107 1HB TYR 107 -8.583 -9.561 0.302 424 2HB TYR 107 2HB TYR 107 -9.198 -9.775 -1.330 425 HD1 TYR 107 HD1 TYR 107 -7.543 -7.519 0.983 426 HD2 TYR 107 HD2 TYR 107 -9.180 -7.918 -2.919 427 HE1 TYR 107 HE1 TYR 107 -6.347 -5.487 0.271 428 HE2 TYR 107 HE2 TYR 107 -8.002 -5.884 -3.640 429 HH TYR 107 HH TYR 107 -5.499 -4.538 -2.043 430 H ASP 108 H ASP 108 -10.652 -10.768 1.635 431 HA ASP 108 HA ASP 108 -11.658 -12.818 -0.021 432 1HB ASP 108 1HB ASP 108 -11.224 -12.444 2.953 433 2HB ASP 108 2HB ASP 108 -11.884 -13.938 2.305 434 H VAL 109 H VAL 109 -13.058 -11.051 2.747 435 HA VAL 109 HA VAL 109 -15.592 -12.194 2.298 436 HB VAL 109 HB VAL 109 -16.112 -11.412 4.280 437 H ALA 110 H ALA 110 -13.977 -9.477 0.943 438 HA ALA 110 HA ALA 110 -16.318 -8.198 -0.101 439 1HB ALA 110 1HB ALA 110 -13.503 -8.027 -1.167 440 2HB ALA 110 2HB ALA 110 -14.827 -6.905 -1.484 441 3HB ALA 110 3HB ALA 110 -14.139 -7.025 0.140 442 H GLU 111 H GLU 111 -14.095 -10.649 -1.065 443 HA GLU 111 HA GLU 111 -14.940 -10.994 -3.749 444 1HB GLU 111 1HB GLU 111 -13.074 -12.167 -1.879 445 2HB GLU 111 2HB GLU 111 -13.911 -13.435 -2.745 446 1HG GLU 111 1HG GLU 111 -13.290 -11.934 -4.820 447 2HG GLU 111 2HG GLU 111 -12.026 -11.372 -3.737 448 H TYR 112 H TYR 112 -15.663 -12.413 -0.685 449 HA TYR 112 HA TYR 112 -17.491 -14.409 -1.393 450 1HB TYR 112 1HB TYR 112 -16.242 -13.480 0.831 451 2HB TYR 112 2HB TYR 112 -17.886 -12.984 1.117 452 HD1 TYR 112 HD1 TYR 112 -15.988 -16.023 0.075 453 HD2 TYR 112 HD2 TYR 112 -19.284 -14.400 2.199 454 HE1 TYR 112 HE1 TYR 112 -16.523 -18.261 0.948 455 HE2 TYR 112 HE2 TYR 112 -19.822 -16.603 3.073 456 HH TYR 112 HH TYR 112 -19.452 -18.830 2.829 457 H ALA 113 H ALA 113 -17.992 -11.276 0.016 458 HA ALA 113 HA ALA 113 -20.775 -11.223 -0.186 459 1HB ALA 113 1HB ALA 113 -19.684 -9.837 1.394 460 2HB ALA 113 2HB ALA 113 -20.549 -8.790 0.269 461 3HB ALA 113 3HB ALA 113 -18.802 -8.987 0.124 462 H GLY 114 H GLY 114 -18.415 -10.713 -2.598 463 1HA GLY 114 1HA GLY 114 -20.469 -10.239 -4.558 464 2HA GLY 114 2HA GLY 114 -18.744 -10.387 -4.870 465 H VAL 115 H VAL 115 -17.804 -8.414 -3.162 466 HA VAL 115 HA VAL 115 -18.669 -5.993 -4.514 467 HB VAL 115 HB VAL 115 -18.557 -4.709 -2.399 468 H SER 116 H SER 116 -16.954 -4.332 -2.994 469 HA SER 116 HA SER 116 -14.323 -5.498 -3.614 470 1HB SER 116 1HB SER 116 -13.551 -3.287 -4.242 471 2HB SER 116 2HB SER 116 -15.022 -3.639 -5.148 472 HG SER 116 HG SER 116 -16.164 -2.416 -3.552 473 H VAL 117 H VAL 117 -12.629 -3.844 -2.405 474 HA VAL 117 HA VAL 117 -13.179 -4.330 0.374 475 HB VAL 117 HB VAL 117 -10.949 -3.471 0.768 476 H ALA 118 H ALA 118 -13.691 -1.933 -1.898 477 HA ALA 118 HA ALA 118 -13.575 0.367 -0.261 478 1HB ALA 118 1HB ALA 118 -15.159 -0.055 -2.788 479 2HB ALA 118 2HB ALA 118 -14.716 1.490 -2.066 480 3HB ALA 118 3HB ALA 118 -13.468 0.435 -2.728 481 H THR 119 H THR 119 -15.968 -2.132 -0.930 482 HA THR 119 HA THR 119 -18.076 -0.729 0.380 483 HB THR 119 HB THR 119 -18.377 -3.599 0.002 484 HG1 THR 119 HG1 THR 119 -18.356 -2.365 -2.452 485 H VAL 120 H VAL 120 -16.109 -3.559 1.013 486 HA VAL 120 HA VAL 120 -17.186 -4.269 3.473 487 HB VAL 120 HB VAL 120 -14.500 -4.844 2.263 488 H SER 121 H SER 121 -14.322 -2.172 2.902 489 HA SER 121 HA SER 121 -13.611 -1.929 5.574 490 1HB SER 121 1HB SER 121 -13.186 -0.231 3.161 491 2HB SER 121 2HB SER 121 -12.713 0.374 4.749 492 HG SER 121 HG SER 121 -11.269 -1.237 4.948 493 H ARG 122 H ARG 122 -16.241 -0.516 3.797 494 HA ARG 122 HA ARG 122 -16.757 1.643 5.561 495 1HB ARG 122 1HB ARG 122 -18.868 0.141 4.063 496 2HB ARG 122 2HB ARG 122 -18.867 1.822 4.538 497 1HG ARG 122 1HG ARG 122 -16.988 0.685 2.503 498 2HG ARG 122 2HG ARG 122 -18.549 1.400 2.109 499 1HD ARG 122 1HD ARG 122 -17.809 3.507 3.177 500 2HD ARG 122 2HD ARG 122 -16.222 2.777 3.441 501 HE ARG 122 HE ARG 122 -16.398 2.445 0.854 502 1HH1 ARG 122 1HH1 ARG 122 -17.312 5.254 2.737 503 1HH2 ARG 122 1HH2 ARG 122 -16.166 3.906 -0.895 504 2HH1 ARG 122 2HH1 ARG 122 -17.142 6.357 1.410 505 2HH2 ARG 122 2HH2 ARG 122 -16.482 5.594 -0.652 506 H VAL 123 H VAL 123 -18.110 -1.586 5.233 507 HA VAL 123 HA VAL 123 -19.765 -1.466 7.530 508 HB VAL 123 HB VAL 123 -18.639 -3.923 6.215 509 H VAL 124 H VAL 124 -16.518 -2.639 6.909 510 HA VAL 124 HA VAL 124 -15.910 -3.715 9.377 511 HB VAL 124 HB VAL 124 -14.390 -2.491 7.140 512 H ASN 125 H ASN 125 -15.938 -0.403 8.229 513 HA ASN 125 HA ASN 125 -15.113 0.604 10.842 514 1HB ASN 125 1HB ASN 125 -15.561 1.803 8.128 515 2HB ASN 125 2HB ASN 125 -15.513 2.842 9.543 516 1HD2 ASN 125 1HD2 ASN 125 -13.730 0.746 7.459 517 1HD2 ASN 125 1HD2 ASN 125 -12.150 1.206 8.019 518 H GLN 126 H GLN 126 -17.719 -0.756 10.403 519 HA GLN 126 HA GLN 126 -19.833 -0.599 11.176 520 1HB GLN 126 1HB GLN 126 -19.640 2.006 12.490 521 2HB GLN 126 2HB GLN 126 -20.207 0.476 13.120 522 1HG GLN 126 1HG GLN 126 -17.376 1.409 12.897 523 2HG GLN 126 2HG GLN 126 -18.304 1.202 14.378 524 H ALA 127 H ALA 127 -19.569 0.002 8.718 525 HA ALA 127 HA ALA 127 -20.265 1.058 6.893 526 1HB ALA 127 1HB ALA 127 -22.368 0.395 8.008 527 2HB ALA 127 2HB ALA 127 -22.499 2.044 8.620 528 3HB ALA 127 3HB ALA 127 -22.517 1.745 6.882 529 H SER 128 H SER 128 -20.964 3.028 5.876 530 HA SER 128 HA SER 128 -20.404 5.564 7.047 531 1HB SER 128 1HB SER 128 -18.685 5.255 4.734 532 2HB SER 128 2HB SER 128 -18.295 5.943 6.305 533 HG SER 128 HG SER 128 -18.009 3.769 7.055 534 H HIS 129 H HIS 129 -20.356 3.795 4.046 535 HA HIS 129 HA HIS 129 -22.683 5.222 3.025 536 1HB HIS 129 1HB HIS 129 -19.927 5.424 1.911 537 2HB HIS 129 2HB HIS 129 -21.219 5.153 0.747 538 HD1 HIS 129 HD1 HIS 129 -20.355 7.609 -0.046 539 HD2 HIS 129 HD2 HIS 129 -22.457 7.432 3.528 540 HE1 HIS 129 HE1 HIS 129 -21.160 9.948 0.376 541 HE2 HIS 129 HE2 HIS 129 -22.329 9.844 2.601 542 H VAL 130 H VAL 130 -23.048 2.857 3.884 543 HA VAL 130 HA VAL 130 -22.896 1.038 1.605 544 HB VAL 130 HB VAL 130 -21.901 0.618 4.349 545 H SER 131 H SER 131 -24.838 0.184 1.038 546 HA SER 131 HA SER 131 -27.216 0.922 2.308 547 1HB SER 131 1HB SER 131 -27.237 -1.559 0.682 548 2HB SER 131 2HB SER 131 -28.233 -0.105 0.541 549 HG SER 131 HG SER 131 -26.981 0.352 -1.075 550 H ALA 132 H ALA 132 -28.723 -0.319 3.492 551 HA ALA 132 HA ALA 132 -27.793 -1.732 5.652 552 1HB ALA 132 1HB ALA 132 -30.034 -0.786 5.542 553 2HB ALA 132 2HB ALA 132 -30.086 -2.483 6.017 554 3HB ALA 132 3HB ALA 132 -30.506 -2.014 4.370 555 H LYS 133 H LYS 133 -29.117 -3.127 2.645 556 HA LYS 133 HA LYS 133 -28.863 -5.800 3.354 557 1HB LYS 133 1HB LYS 133 -29.545 -4.349 1.043 558 2HB LYS 133 2HB LYS 133 -28.318 -5.519 0.578 559 1HG LYS 133 1HG LYS 133 -30.664 -6.360 2.225 560 2HG LYS 133 2HG LYS 133 -30.811 -6.182 0.481 561 1HD LYS 133 1HD LYS 133 -30.261 -8.413 0.666 562 2HD LYS 133 2HD LYS 133 -28.673 -7.685 0.434 563 1HE LYS 133 1HE LYS 133 -28.703 -9.372 2.236 564 2HE LYS 133 2HE LYS 133 -28.237 -7.772 2.805 565 1HZ LYS 133 1HZ LYS 133 -30.953 -7.860 3.114 566 2HZ LYS 133 2HZ LYS 133 -30.441 -9.397 3.586 567 3HZ LYS 133 3HZ LYS 133 -29.797 -8.025 4.343 568 H THR 134 H THR 134 -26.536 -3.674 1.776 569 HA THR 134 HA THR 134 -24.533 -5.597 1.359 570 HB THR 134 HB THR 134 -24.214 -2.669 1.755 571 HG1 THR 134 HG1 THR 134 -24.105 -3.092 -0.760 572 H ARG 135 H ARG 135 -25.091 -3.318 3.964 573 HA ARG 135 HA ARG 135 -22.918 -3.788 5.544 574 1HB ARG 135 1HB ARG 135 -24.484 -2.084 6.132 575 2HB ARG 135 2HB ARG 135 -25.791 -3.249 6.278 576 1HG ARG 135 1HG ARG 135 -23.536 -3.717 8.079 577 2HG ARG 135 2HG ARG 135 -24.407 -2.219 8.360 578 1HD ARG 135 1HD ARG 135 -26.502 -3.585 8.311 579 2HD ARG 135 2HD ARG 135 -25.466 -5.000 8.334 580 HE ARG 135 HE ARG 135 -25.808 -3.065 10.503 581 1HH1 ARG 135 1HH1 ARG 135 -24.480 -6.059 9.298 582 1HH2 ARG 135 1HH2 ARG 135 -25.121 -3.791 12.572 583 2HH1 ARG 135 2HH1 ARG 135 -23.925 -6.606 10.851 584 2HH2 ARG 135 2HH2 ARG 135 -24.326 -5.326 12.717 585 H GLU 136 H GLU 136 -25.839 -5.698 5.300 586 HA GLU 136 HA GLU 136 -25.014 -7.633 7.252 587 1HB GLU 136 1HB GLU 136 -27.256 -7.564 5.283 588 2HB GLU 136 2HB GLU 136 -26.996 -8.912 6.360 589 1HG GLU 136 1HG GLU 136 -27.752 -7.801 8.149 590 2HG GLU 136 2HG GLU 136 -27.111 -6.259 7.596 591 H LYS 137 H LYS 137 -25.000 -7.284 3.819 592 HA LYS 137 HA LYS 137 -24.423 -9.779 2.833 593 1HB LYS 137 1HB LYS 137 -24.902 -7.791 1.467 594 2HB LYS 137 2HB LYS 137 -23.367 -7.093 1.948 595 1HG LYS 137 1HG LYS 137 -22.397 -9.288 0.942 596 2HG LYS 137 2HG LYS 137 -23.915 -9.291 0.036 597 1HD LYS 137 1HD LYS 137 -22.063 -6.917 0.177 598 2HD LYS 137 2HD LYS 137 -21.960 -8.144 -1.086 599 1HE LYS 137 1HE LYS 137 -24.372 -6.446 -0.491 600 2HE LYS 137 2HE LYS 137 -23.227 -6.162 -1.792 601 1HZ LYS 137 1HZ LYS 137 -23.835 -8.309 -2.742 602 2HZ LYS 137 2HZ LYS 137 -24.961 -8.559 -1.505 603 3HZ LYS 137 3HZ LYS 137 -25.180 -7.297 -2.606 604 H VAL 138 H VAL 138 -22.190 -7.393 3.958 605 HA VAL 138 HA VAL 138 -19.903 -9.039 3.376 606 HB VAL 138 HB VAL 138 -18.545 -7.290 3.664 607 H GLU 139 H GLU 139 -21.739 -8.149 6.273 608 HA GLU 139 HA GLU 139 -19.903 -9.112 8.135 609 1HB GLU 139 1HB GLU 139 -22.875 -8.715 8.117 610 2HB GLU 139 2HB GLU 139 -22.054 -9.401 9.501 611 1HG GLU 139 1HG GLU 139 -20.642 -7.090 8.715 612 2HG GLU 139 2HG GLU 139 -22.357 -6.692 8.798 613 H ALA 140 H ALA 140 -22.532 -10.589 6.348 614 HA ALA 140 HA ALA 140 -22.406 -13.108 7.523 615 1HB ALA 140 1HB ALA 140 -23.157 -12.449 4.677 616 2HB ALA 140 2HB ALA 140 -24.246 -12.390 6.063 617 3HB ALA 140 3HB ALA 140 -23.564 -13.931 5.542 618 H ALA 141 H ALA 141 -20.703 -11.699 4.848 619 HA ALA 141 HA ALA 141 -19.248 -13.954 4.051 620 1HB ALA 141 1HB ALA 141 -19.428 -12.087 2.566 621 2HB ALA 141 2HB ALA 141 -17.727 -12.275 2.987 622 3HB ALA 141 3HB ALA 141 -18.687 -11.008 3.746 623 H MET 142 H MET 142 -18.468 -11.247 6.212 624 HA MET 142 HA MET 142 -15.876 -11.884 6.871 625 1HB MET 142 1HB MET 142 -18.047 -10.624 8.513 626 2HB MET 142 2HB MET 142 -16.386 -10.755 9.050 627 1HG MET 142 1HG MET 142 -15.659 -9.376 7.183 628 2HG MET 142 2HG MET 142 -17.330 -9.276 6.614 629 1HE MET 142 1HE MET 142 -17.225 -6.656 6.573 630 2HE MET 142 2HE MET 142 -16.744 -5.658 7.947 631 3HE MET 142 3HE MET 142 -15.555 -6.678 7.136 632 H ALA 143 H ALA 143 -18.812 -13.124 8.005 633 HA ALA 143 HA ALA 143 -17.890 -14.409 10.347 634 1HB ALA 143 1HB ALA 143 -20.366 -15.048 8.777 635 2HB ALA 143 2HB ALA 143 -20.233 -13.736 9.947 636 3HB ALA 143 3HB ALA 143 -20.056 -15.410 10.475 637 H GLU 144 H GLU 144 -18.487 -15.621 7.080 638 HA GLU 144 HA GLU 144 -18.129 -18.297 7.683 639 1HB GLU 144 1HB GLU 144 -17.696 -16.972 5.065 640 2HB GLU 144 2HB GLU 144 -18.068 -18.665 5.343 641 1HG GLU 144 1HG GLU 144 -20.034 -17.145 6.652 642 2HG GLU 144 2HG GLU 144 -19.815 -16.479 5.047 643 H LEU 145 H LEU 145 -15.895 -16.177 5.942 644 HA LEU 145 HA LEU 145 -13.835 -18.098 6.092 645 1HB LEU 145 1HB LEU 145 -12.404 -15.994 5.628 646 2HB LEU 145 2HB LEU 145 -13.338 -16.752 4.387 647 HG LEU 145 HG LEU 145 -13.217 -14.196 4.582 648 H ASN 146 H ASN 146 -14.916 -15.677 8.197 649 HA ASN 146 HA ASN 146 -14.487 -15.275 10.385 650 1HB ASN 146 1HB ASN 146 -13.674 -17.609 10.590 651 2HB ASN 146 2HB ASN 146 -12.096 -17.034 10.113 652 1HD2 ASN 146 1HD2 ASN 146 -14.427 -17.219 12.600 653 1HD2 ASN 146 1HD2 ASN 146 -13.422 -16.597 13.863 654 H TYR 147 H TYR 147 -14.252 -13.361 9.186 655 HA TYR 147 HA TYR 147 -11.743 -12.293 8.427 656 1HB TYR 147 1HB TYR 147 -13.832 -11.538 7.400 657 2HB TYR 147 2HB TYR 147 -14.374 -10.930 8.960 658 HD1 TYR 147 HD1 TYR 147 -11.170 -10.618 7.053 659 HD2 TYR 147 HD2 TYR 147 -14.347 -8.639 9.070 660 HE1 TYR 147 HE1 TYR 147 -10.051 -8.457 6.693 661 HE2 TYR 147 HE2 TYR 147 -13.234 -6.489 8.713 662 HH TYR 147 HH TYR 147 -10.443 -6.166 6.677 663 H ILE 148 H ILE 148 -10.208 -11.477 9.644 664 HA ILE 148 HA ILE 148 -10.928 -9.935 12.032 665 HB ILE 148 HB ILE 148 -8.446 -11.637 11.846 666 HA PRO 149 HA PRO 149 -8.521 -7.216 9.292 667 1HB PRO 149 1HB PRO 149 -9.056 -4.916 10.657 668 2HB PRO 149 2HB PRO 149 -10.150 -5.619 9.455 669 1HG PRO 149 1HG PRO 149 -10.255 -5.753 12.427 670 2HG PRO 149 2HG PRO 149 -11.577 -5.573 11.261 671 1HD PRO 149 1HD PRO 149 -10.977 -7.929 12.479 672 2HD PRO 149 2HD PRO 149 -11.698 -7.832 10.858 673 H ASN 150 H ASN 150 -6.762 -5.475 9.791 674 HA ASN 150 HA ASN 150 -5.247 -6.398 12.103 675 1HB ASN 150 1HB ASN 150 -4.546 -5.830 9.302 676 2HB ASN 150 2HB ASN 150 -3.471 -5.071 10.476 677 1HD2 ASN 150 1HD2 ASN 150 -4.110 -7.803 8.745 678 1HD2 ASN 150 1HD2 ASN 150 -3.095 -8.894 9.626 679 H ARG 151 H ARG 151 -4.886 -4.964 13.637 680 HA ARG 151 HA ARG 151 -6.222 -2.548 13.786 681 1HB ARG 151 1HB ARG 151 -4.602 -4.101 15.469 682 2HB ARG 151 2HB ARG 151 -3.923 -2.479 15.479 683 1HG ARG 151 1HG ARG 151 -5.501 -2.646 17.257 684 2HG ARG 151 2HG ARG 151 -6.178 -1.596 16.011 685 1HD ARG 151 1HD ARG 151 -6.825 -4.475 15.813 686 2HD ARG 151 2HD ARG 151 -7.541 -3.606 17.166 687 HE ARG 151 HE ARG 151 -8.171 -3.307 14.358 688 1HH1 ARG 151 1HH1 ARG 151 -8.393 -1.906 17.553 689 1HH2 ARG 151 1HH2 ARG 151 -9.976 -2.013 13.828 690 2HH1 ARG 151 2HH1 ARG 151 -9.767 -0.921 17.172 691 2HH2 ARG 151 2HH2 ARG 151 -10.679 -0.981 15.038 692 H CYS 152 H CYS 152 -2.988 -3.115 12.510 693 HA CYS 152 HA CYS 152 -2.332 -0.291 12.674 694 1HB CYS 152 1HB CYS 152 -0.761 -2.456 12.729 695 2HB CYS 152 2HB CYS 152 -0.735 -2.120 11.003 696 H ALA 153 H ALA 153 -2.968 -2.640 10.131 697 HA ALA 153 HA ALA 153 -2.840 -0.982 7.946 698 1HB ALA 153 1HB ALA 153 -4.886 -3.161 8.401 699 2HB ALA 153 2HB ALA 153 -4.429 -2.478 6.845 700 3HB ALA 153 3HB ALA 153 -3.253 -3.395 7.782 701 H GLN 154 H GLN 154 -5.426 -1.354 10.282 702 HA GLN 154 HA GLN 154 -7.311 0.346 9.046 703 1HB GLN 154 1HB GLN 154 -6.965 -0.557 11.901 704 2HB GLN 154 2HB GLN 154 -8.369 0.303 11.290 705 1HG GLN 154 1HG GLN 154 -8.527 -1.602 9.580 706 2HG GLN 154 2HG GLN 154 -7.468 -2.466 10.685 707 H GLN 155 H GLN 155 -4.989 0.764 11.675 708 HA GLN 155 HA GLN 155 -5.507 3.440 12.260 709 1HB GLN 155 1HB GLN 155 -3.073 1.722 12.584 710 2HB GLN 155 2HB GLN 155 -3.052 3.408 13.053 711 1HG GLN 155 1HG GLN 155 -4.156 1.107 14.402 712 2HG GLN 155 2HG GLN 155 -3.750 2.697 15.043 713 H LEU 156 H LEU 156 -3.133 2.023 10.035 714 HA LEU 156 HA LEU 156 -2.000 4.393 9.090 715 1HB LEU 156 1HB LEU 156 -1.341 1.911 8.786 716 2HB LEU 156 2HB LEU 156 -2.445 1.934 7.422 717 HG LEU 156 HG LEU 156 -1.105 3.541 6.267 718 H ALA 157 H ALA 157 -4.318 2.354 7.439 719 HA ALA 157 HA ALA 157 -5.089 4.031 5.407 720 1HB ALA 157 1HB ALA 157 -7.122 2.276 6.742 721 2HB ALA 157 2HB ALA 157 -6.955 2.671 5.034 722 3HB ALA 157 3HB ALA 157 -5.782 1.607 5.811 723 H GLY 158 H GLY 158 -6.137 4.165 8.728 724 1HA GLY 158 1HA GLY 158 -7.794 5.449 9.729 725 2HA GLY 158 2HA GLY 158 -8.213 6.103 8.158 726 H LYS 159 H LYS 159 -5.108 6.526 8.025 727 HA LYS 159 HA LYS 159 -5.041 8.972 9.622 728 1HB LYS 159 1HB LYS 159 -3.335 7.132 10.018 729 2HB LYS 159 2HB LYS 159 -2.672 7.578 8.460 730 1HG LYS 159 1HG LYS 159 -2.620 9.972 9.499 731 2HG LYS 159 2HG LYS 159 -2.644 9.081 11.022 732 1HD LYS 159 1HD LYS 159 -0.369 9.449 10.495 733 2HD LYS 159 2HD LYS 159 -0.691 7.755 10.113 734 1HE LYS 159 1HE LYS 159 0.624 8.806 8.347 735 2HE LYS 159 2HE LYS 159 -0.967 8.331 7.763 736 1HZ LYS 159 1HZ LYS 159 -0.372 11.092 8.665 737 2HZ LYS 159 2HZ LYS 159 -0.171 10.591 7.062 738 3HZ LYS 159 3HZ LYS 159 -1.705 10.545 7.773 739 H GLN 160 H GLN 160 -6.345 8.888 7.042 740 HA GLN 160 HA GLN 160 -4.600 9.935 5.070 741 1HB GLN 160 1HB GLN 160 -7.395 10.688 4.782 742 2HB GLN 160 2HB GLN 160 -6.324 9.871 3.666 743 1HG GLN 160 1HG GLN 160 -7.833 8.235 4.036 744 2HG GLN 160 2HG GLN 160 -6.658 7.871 5.300 745 H SER 161 H SER 161 -4.492 12.022 4.232 746 HA SER 161 HA SER 161 -4.098 14.246 4.431 747 1HB SER 161 1HB SER 161 -6.858 14.091 5.584 748 2HB SER 161 2HB SER 161 -6.085 15.587 5.080 749 HG SER 161 HG SER 161 -6.016 14.795 2.974 750 H LEU 162 H LEU 162 -2.872 12.862 6.504 751 HA LEU 162 HA LEU 162 -3.070 14.825 8.684 752 1HB LEU 162 1HB LEU 162 -3.782 12.191 8.930 753 2HB LEU 162 2HB LEU 162 -2.103 12.160 9.437 754 HG LEU 162 HG LEU 162 -2.672 14.013 11.064 No H/Q in entry = 754 Start of MODEL 16 1 H1 MET 1 H1 MET 1 -1.084 16.176 3.165 2 H2 MET 1 H2 MET 1 -1.055 15.467 4.704 3 H3 MET 1 H3 MET 1 -1.880 16.928 4.450 4 HA MET 1 HA MET 1 0.141 18.089 4.015 5 1HB MET 1 1HB MET 1 -0.434 18.060 6.326 6 2HB MET 1 2HB MET 1 0.112 16.400 6.516 7 1HG MET 1 1HG MET 1 2.432 17.363 5.854 8 2HG MET 1 2HG MET 1 1.719 18.909 6.318 9 1HE MET 1 1HE MET 1 4.250 17.843 7.434 10 2HE MET 1 2HE MET 1 3.702 19.133 8.504 11 3HE MET 1 3HE MET 1 4.190 17.579 9.177 12 H LYS 2 H LYS 2 0.821 14.723 4.962 13 HA LYS 2 HA LYS 2 2.483 13.284 4.443 14 1HB LYS 2 1HB LYS 2 1.819 13.601 2.124 15 2HB LYS 2 2HB LYS 2 2.810 15.051 2.009 16 1HG LYS 2 1HG LYS 2 4.651 13.221 2.817 17 2HG LYS 2 2HG LYS 2 3.577 12.221 1.836 18 1HD LYS 2 1HD LYS 2 4.059 13.370 -0.099 19 2HD LYS 2 2HD LYS 2 4.462 14.857 0.759 20 1HE LYS 2 1HE LYS 2 6.142 12.361 0.843 21 2HE LYS 2 2HE LYS 2 6.405 13.683 -0.295 22 1HZ LYS 2 1HZ LYS 2 6.469 13.949 2.668 23 2HZ LYS 2 2HZ LYS 2 7.839 13.844 1.673 24 3HZ LYS 2 3HZ LYS 2 6.796 15.172 1.543 25 HA PRO 3 HA PRO 3 5.685 15.911 6.410 26 1HB PRO 3 1HB PRO 3 6.220 13.406 7.830 27 2HB PRO 3 2HB PRO 3 5.857 14.998 8.485 28 1HG PRO 3 1HG PRO 3 4.087 12.990 8.638 29 2HG PRO 3 2HG PRO 3 3.568 14.669 8.384 30 1HD PRO 3 1HD PRO 3 3.842 12.447 6.389 31 2HD PRO 3 2HD PRO 3 2.552 13.661 6.555 32 H VAL 4 H VAL 4 8.064 14.903 7.061 33 HA VAL 4 HA VAL 4 9.346 14.358 4.624 34 HB VAL 4 HB VAL 4 10.489 13.405 7.206 35 H THR 5 H THR 5 10.154 12.415 3.776 36 HA THR 5 HA THR 5 9.277 9.967 5.118 37 HB THR 5 HB THR 5 8.282 9.139 2.908 38 HG1 THR 5 HG1 THR 5 8.612 11.884 2.390 39 H LEU 6 H LEU 6 9.855 8.039 3.605 40 HA LEU 6 HA LEU 6 12.699 8.181 3.351 41 1HB LEU 6 1HB LEU 6 12.005 5.923 1.919 42 2HB LEU 6 2HB LEU 6 12.487 5.987 3.598 43 HG LEU 6 HG LEU 6 9.865 6.434 3.881 44 H TYR 7 H TYR 7 10.048 8.686 1.210 45 HA TYR 7 HA TYR 7 11.345 8.351 -1.259 46 1HB TYR 7 1HB TYR 7 8.981 9.959 -0.321 47 2HB TYR 7 2HB TYR 7 9.565 10.094 -1.971 48 HD1 TYR 7 HD1 TYR 7 7.816 8.003 0.435 49 HD2 TYR 7 HD2 TYR 7 9.345 8.219 -3.526 50 HE1 TYR 7 HE1 TYR 7 6.427 6.076 -0.200 51 HE2 TYR 7 HE2 TYR 7 7.967 6.287 -4.172 52 HH TYR 7 HH TYR 7 5.410 5.197 -2.437 53 H ASP 8 H ASP 8 11.010 11.011 0.968 54 HA ASP 8 HA ASP 8 12.127 13.027 -0.651 55 1HB ASP 8 1HB ASP 8 11.655 12.720 2.321 56 2HB ASP 8 2HB ASP 8 12.284 14.200 1.609 57 H VAL 9 H VAL 9 13.436 11.243 2.140 58 HA VAL 9 HA VAL 9 15.989 12.358 1.739 59 HB VAL 9 HB VAL 9 16.482 11.559 3.719 60 H ALA 10 H ALA 10 14.394 9.658 0.323 61 HA ALA 10 HA ALA 10 16.753 8.374 -0.669 62 1HB ALA 10 1HB ALA 10 13.925 8.217 -1.717 63 2HB ALA 10 2HB ALA 10 15.252 7.129 -2.133 64 3HB ALA 10 3HB ALA 10 14.622 7.165 -0.483 65 H GLU 11 H GLU 11 14.587 10.860 -1.707 66 HA GLU 11 HA GLU 11 15.506 11.167 -4.379 67 1HB GLU 11 1HB GLU 11 13.524 12.245 -2.685 68 2HB GLU 11 2HB GLU 11 14.486 13.604 -3.225 69 1HG GLU 11 1HG GLU 11 13.595 11.629 -5.249 70 2HG GLU 11 2HG GLU 11 12.414 12.753 -4.590 71 H TYR 12 H TYR 12 16.136 12.609 -1.312 72 HA TYR 12 HA TYR 12 17.991 14.592 -1.969 73 1HB TYR 12 1HB TYR 12 16.696 13.624 0.236 74 2HB TYR 12 2HB TYR 12 18.354 13.184 0.549 75 HD1 TYR 12 HD1 TYR 12 16.484 16.175 -0.676 76 HD2 TYR 12 HD2 TYR 12 19.561 14.619 1.800 77 HE1 TYR 12 HE1 TYR 12 16.926 18.432 0.185 78 HE2 TYR 12 HE2 TYR 12 20.018 16.845 2.665 79 HH TYR 12 HH TYR 12 19.565 19.039 2.500 80 H ALA 13 H ALA 13 18.455 11.474 -0.540 81 HA ALA 13 HA ALA 13 21.236 11.384 -0.692 82 1HB ALA 13 1HB ALA 13 19.198 9.216 -0.361 83 2HB ALA 13 2HB ALA 13 20.161 10.016 0.882 84 3HB ALA 13 3HB ALA 13 20.935 8.925 -0.267 85 H GLY 14 H GLY 14 18.900 10.799 -3.146 86 1HA GLY 14 1HA GLY 14 21.001 10.326 -5.063 87 2HA GLY 14 2HA GLY 14 19.277 10.428 -5.408 88 H VAL 15 H VAL 15 18.335 8.488 -3.680 89 HA VAL 15 HA VAL 15 19.296 6.039 -4.935 90 HB VAL 15 HB VAL 15 19.073 4.821 -2.788 91 H SER 16 H SER 16 17.558 4.353 -3.579 92 HA SER 16 HA SER 16 14.946 5.391 -4.441 93 1HB SER 16 1HB SER 16 14.279 3.109 -4.848 94 2HB SER 16 2HB SER 16 15.841 3.349 -5.625 95 HG SER 16 HG SER 16 16.790 2.387 -3.731 96 H VAL 17 H VAL 17 13.135 4.084 -3.172 97 HA VAL 17 HA VAL 17 13.461 4.848 -0.439 98 HB VAL 17 HB VAL 17 11.173 4.072 -0.173 99 H ALA 18 H ALA 18 14.155 2.147 -2.288 100 HA ALA 18 HA ALA 18 13.793 0.144 -0.296 101 1HB ALA 18 1HB ALA 18 15.507 0.079 -2.773 102 2HB ALA 18 2HB ALA 18 15.010 -1.309 -1.806 103 3HB ALA 18 3HB ALA 18 13.806 -0.378 -2.697 104 H THR 19 H THR 19 16.430 2.219 -1.441 105 HA THR 19 HA THR 19 18.455 1.012 0.106 106 HB THR 19 HB THR 19 18.683 3.881 -0.490 107 HG1 THR 19 HG1 THR 19 18.848 2.275 -2.753 108 H VAL 20 H VAL 20 16.360 3.767 0.558 109 HA VAL 20 HA VAL 20 17.374 4.564 3.048 110 HB VAL 20 HB VAL 20 14.711 5.116 1.763 111 H SER 21 H SER 21 14.554 2.454 2.320 112 HA SER 21 HA SER 21 13.774 2.133 4.981 113 1HB SER 21 1HB SER 21 13.418 0.467 2.511 114 2HB SER 21 2HB SER 21 12.884 -0.136 4.082 115 HG SER 21 HG SER 21 11.597 1.730 4.279 116 H ARG 22 H ARG 22 16.309 0.719 3.066 117 HA ARG 22 HA ARG 22 17.028 -1.420 4.784 118 1HB ARG 22 1HB ARG 22 18.303 0.184 2.641 119 2HB ARG 22 2HB ARG 22 19.299 -0.903 3.577 120 1HG ARG 22 1HG ARG 22 16.805 -1.787 2.161 121 2HG ARG 22 2HG ARG 22 18.398 -1.794 1.417 122 1HD ARG 22 1HD ARG 22 19.198 -3.246 3.271 123 2HD ARG 22 2HD ARG 22 17.549 -3.305 3.883 124 HE ARG 22 HE ARG 22 18.207 -4.289 1.187 125 1HH1 ARG 22 1HH1 ARG 22 16.844 -4.807 4.376 126 1HH2 ARG 22 1HH2 ARG 22 17.428 -6.390 0.711 127 2HH1 ARG 22 2HH1 ARG 22 16.263 -6.398 4.003 128 2HH2 ARG 22 2HH2 ARG 22 16.583 -7.292 1.931 129 H VAL 23 H VAL 23 18.353 1.850 4.390 130 HA VAL 23 HA VAL 23 20.147 1.655 6.566 131 HB VAL 23 HB VAL 23 18.941 4.164 5.422 132 H VAL 24 H VAL 24 16.870 2.825 6.225 133 HA VAL 24 HA VAL 24 16.418 3.802 8.782 134 HB VAL 24 HB VAL 24 14.751 2.764 6.553 135 H ASN 25 H ASN 25 16.293 0.578 7.429 136 HA ASN 25 HA ASN 25 15.604 -0.593 10.021 137 1HB ASN 25 1HB ASN 25 15.795 -1.604 7.212 138 2HB ASN 25 2HB ASN 25 15.889 -2.751 8.540 139 1HD2 ASN 25 1HD2 ASN 25 13.891 -0.680 6.683 140 1HD2 ASN 25 1HD2 ASN 25 12.380 -1.107 7.435 141 H GLN 26 H GLN 26 18.289 0.696 9.231 142 HA GLN 26 HA GLN 26 20.511 0.375 9.604 143 1HB GLN 26 1HB GLN 26 19.195 -1.339 11.605 144 2HB GLN 26 2HB GLN 26 20.934 -1.498 11.409 145 1HG GLN 26 1HG GLN 26 20.594 0.072 13.094 146 2HG GLN 26 2HG GLN 26 21.077 0.994 11.689 147 H ALA 27 H ALA 27 19.918 -0.611 7.362 148 HA ALA 27 HA ALA 27 20.092 -3.250 6.684 149 1HB ALA 27 1HB ALA 27 19.623 -2.064 4.875 150 2HB ALA 27 2HB ALA 27 20.698 -0.738 5.312 151 3HB ALA 27 3HB ALA 27 21.357 -2.208 4.600 152 H SER 28 H SER 28 21.664 -4.695 6.239 153 HA SER 28 HA SER 28 24.349 -4.083 7.137 154 1HB SER 28 1HB SER 28 23.420 -6.768 6.229 155 2HB SER 28 2HB SER 28 24.674 -6.384 7.402 156 HG SER 28 HG SER 28 22.963 -5.576 8.763 157 H HIS 29 H HIS 29 22.495 -4.980 4.341 158 HA HIS 29 HA HIS 29 24.702 -5.356 2.610 159 1HB HIS 29 1HB HIS 29 21.756 -5.170 2.216 160 2HB HIS 29 2HB HIS 29 22.804 -4.982 0.813 161 HD1 HIS 29 HD1 HIS 29 21.648 -7.263 -0.011 162 HD2 HIS 29 HD2 HIS 29 24.113 -7.568 3.319 163 HE1 HIS 29 HE1 HIS 29 22.216 -9.701 0.191 164 HE2 HIS 29 HE2 HIS 29 23.839 -9.830 2.106 165 H VAL 30 H VAL 30 22.949 -2.564 3.576 166 HA VAL 30 HA VAL 30 23.674 -0.913 1.393 167 HB VAL 30 HB VAL 30 22.351 -0.483 3.988 168 H SER 31 H SER 31 25.550 0.054 1.000 169 HA SER 31 HA SER 31 27.790 -0.646 2.523 170 1HB SER 31 1HB SER 31 27.874 1.675 0.635 171 2HB SER 31 2HB SER 31 29.020 0.342 0.825 172 HG SER 31 HG SER 31 27.887 -0.848 -0.523 173 H ALA 32 H ALA 32 29.159 0.682 3.765 174 HA ALA 32 HA ALA 32 28.033 2.244 5.695 175 1HB ALA 32 1HB ALA 32 30.848 2.362 4.634 176 2HB ALA 32 2HB ALA 32 30.243 1.370 5.962 177 3HB ALA 32 3HB ALA 32 30.313 3.124 6.134 178 H LYS 33 H LYS 33 29.523 3.391 2.679 179 HA LYS 33 HA LYS 33 29.254 6.108 3.167 180 1HB LYS 33 1HB LYS 33 29.940 4.453 0.956 181 2HB LYS 33 2HB LYS 33 28.874 5.739 0.417 182 1HG LYS 33 1HG LYS 33 31.342 6.205 2.069 183 2HG LYS 33 2HG LYS 33 31.323 6.239 0.311 184 1HD LYS 33 1HD LYS 33 30.146 8.204 0.219 185 2HD LYS 33 2HD LYS 33 29.339 7.919 1.758 186 1HE LYS 33 1HE LYS 33 32.193 8.778 1.324 187 2HE LYS 33 2HE LYS 33 30.888 9.736 2.017 188 1HZ LYS 33 1HZ LYS 33 30.793 7.961 3.808 189 2HZ LYS 33 2HZ LYS 33 32.282 7.416 3.210 190 3HZ LYS 33 3HZ LYS 33 32.146 8.981 3.823 191 H THR 34 H THR 34 27.014 3.877 1.602 192 HA THR 34 HA THR 34 25.045 5.765 0.951 193 HB THR 34 HB THR 34 24.625 2.885 1.529 194 HG1 THR 34 HG1 THR 34 24.765 3.055 -1.000 195 H ARG 35 H ARG 35 25.433 3.647 3.720 196 HA ARG 35 HA ARG 35 23.170 4.252 5.128 197 1HB ARG 35 1HB ARG 35 24.715 2.596 5.945 198 2HB ARG 35 2HB ARG 35 25.984 3.793 6.130 199 1HG ARG 35 1HG ARG 35 23.470 4.115 7.678 200 2HG ARG 35 2HG ARG 35 24.645 2.924 8.197 201 1HD ARG 35 1HD ARG 35 26.344 4.655 8.278 202 2HD ARG 35 2HD ARG 35 25.156 5.832 7.755 203 HE ARG 35 HE ARG 35 23.953 5.414 9.853 204 1HH1 ARG 35 1HH1 ARG 35 27.342 4.492 9.667 205 1HH2 ARG 35 1HH2 ARG 35 24.273 5.507 12.094 206 2HH1 ARG 35 2HH1 ARG 35 27.577 4.574 11.385 207 2HH2 ARG 35 2HH2 ARG 35 25.836 5.157 12.763 208 H GLU 36 H GLU 36 26.156 6.038 4.967 209 HA GLU 36 HA GLU 36 25.370 8.126 6.744 210 1HB GLU 36 1HB GLU 36 27.501 8.062 4.655 211 2HB GLU 36 2HB GLU 36 27.342 9.306 5.860 212 1HG GLU 36 1HG GLU 36 27.865 7.794 7.582 213 2HG GLU 36 2HG GLU 36 27.782 6.425 6.479 214 H LYS 37 H LYS 37 25.334 7.594 3.334 215 HA LYS 37 HA LYS 37 24.730 10.052 2.258 216 1HB LYS 37 1HB LYS 37 25.283 7.998 0.987 217 2HB LYS 37 2HB LYS 37 23.720 7.336 1.428 218 1HG LYS 37 1HG LYS 37 22.783 9.461 0.310 219 2HG LYS 37 2HG LYS 37 24.352 9.506 -0.499 220 1HD LYS 37 1HD LYS 37 22.563 7.081 -0.445 221 2HD LYS 37 2HD LYS 37 22.537 8.280 -1.741 222 1HE LYS 37 1HE LYS 37 24.726 6.388 -0.965 223 2HE LYS 37 2HE LYS 37 23.919 6.553 -2.518 224 1HZ LYS 37 1HZ LYS 37 24.953 8.787 -2.689 225 2HZ LYS 37 2HZ LYS 37 25.851 8.442 -1.302 226 3HZ LYS 37 3HZ LYS 37 26.067 7.517 -2.699 227 H VAL 38 H VAL 38 22.520 7.598 3.313 228 HA VAL 38 HA VAL 38 20.264 9.294 2.767 229 HB VAL 38 HB VAL 38 18.927 7.551 2.730 230 H GLU 39 H GLU 39 21.995 8.199 5.659 231 HA GLU 39 HA GLU 39 20.112 9.045 7.532 232 1HB GLU 39 1HB GLU 39 23.094 8.691 7.562 233 2HB GLU 39 2HB GLU 39 22.223 9.258 8.968 234 1HG GLU 39 1HG GLU 39 20.835 7.016 8.091 235 2HG GLU 39 2HG GLU 39 22.543 6.598 7.972 236 H ALA 40 H ALA 40 22.758 10.636 5.867 237 HA ALA 40 HA ALA 40 22.593 13.094 7.170 238 1HB ALA 40 1HB ALA 40 24.498 12.519 5.771 239 2HB ALA 40 2HB ALA 40 23.466 12.517 4.340 240 3HB ALA 40 3HB ALA 40 23.767 14.020 5.212 241 H ALA 41 H ALA 41 20.979 11.828 4.349 242 HA ALA 41 HA ALA 41 19.551 14.113 3.618 243 1HB ALA 41 1HB ALA 41 18.896 11.198 3.224 244 2HB ALA 41 2HB ALA 41 18.059 12.532 2.435 245 3HB ALA 41 3HB ALA 41 19.767 12.246 2.103 246 H MET 42 H MET 42 18.766 11.361 5.672 247 HA MET 42 HA MET 42 16.181 11.984 6.381 248 1HB MET 42 1HB MET 42 18.400 10.689 7.947 249 2HB MET 42 2HB MET 42 16.765 10.811 8.551 250 1HG MET 42 1HG MET 42 16.051 9.529 6.496 251 2HG MET 42 2HG MET 42 17.772 9.211 6.233 252 1HE MET 42 1HE MET 42 16.731 6.784 6.174 253 2HE MET 42 2HE MET 42 18.316 6.575 6.919 254 3HE MET 42 3HE MET 42 16.907 5.760 7.600 255 H ALA 43 H ALA 43 19.206 12.981 7.675 256 HA ALA 43 HA ALA 43 18.360 14.297 9.988 257 1HB ALA 43 1HB ALA 43 20.841 14.772 8.368 258 2HB ALA 43 2HB ALA 43 20.637 13.534 9.609 259 3HB ALA 43 3HB ALA 43 20.587 15.241 10.049 260 H GLU 44 H GLU 44 19.196 15.690 6.832 261 HA GLU 44 HA GLU 44 18.888 18.360 7.529 262 1HB GLU 44 1HB GLU 44 18.318 17.153 4.858 263 2HB GLU 44 2HB GLU 44 18.792 18.805 5.188 264 1HG GLU 44 1HG GLU 44 20.867 17.609 6.283 265 2HG GLU 44 2HG GLU 44 20.395 16.333 5.168 266 H LEU 45 H LEU 45 16.628 16.146 6.068 267 HA LEU 45 HA LEU 45 14.462 17.983 5.988 268 1HB LEU 45 1HB LEU 45 14.200 15.012 5.837 269 2HB LEU 45 2HB LEU 45 13.292 16.243 4.998 270 HG LEU 45 HG LEU 45 16.188 15.990 4.369 271 H ASN 46 H ASN 46 15.665 15.745 8.308 272 HA ASN 46 HA ASN 46 15.095 15.249 10.437 273 1HB ASN 46 1HB ASN 46 14.394 17.577 10.736 274 2HB ASN 46 2HB ASN 46 12.843 17.181 10.043 275 1HD2 ASN 46 1HD2 ASN 46 14.934 16.734 12.745 276 1HD2 ASN 46 1HD2 ASN 46 13.700 16.281 13.861 277 H TYR 47 H TYR 47 14.766 13.437 8.874 278 HA TYR 47 HA TYR 47 12.128 12.553 8.285 279 1HB TYR 47 1HB TYR 47 13.956 11.863 6.861 280 2HB TYR 47 2HB TYR 47 14.776 11.116 8.226 281 HD1 TYR 47 HD1 TYR 47 11.461 10.912 6.490 282 HD2 TYR 47 HD2 TYR 47 14.586 8.832 8.491 283 HE1 TYR 47 HE1 TYR 47 10.308 8.775 6.087 284 HE2 TYR 47 HE2 TYR 47 13.438 6.710 8.087 285 HH TYR 47 HH TYR 47 10.695 6.462 6.003 286 H ILE 48 H ILE 48 10.832 11.258 9.277 287 HA ILE 48 HA ILE 48 11.715 9.497 11.401 288 HB ILE 48 HB ILE 48 9.581 11.613 11.778 289 HA PRO 49 HA PRO 49 8.933 7.248 8.770 290 1HB PRO 49 1HB PRO 49 9.301 4.804 9.822 291 2HB PRO 49 2HB PRO 49 10.545 5.608 8.854 292 1HG PRO 49 1HG PRO 49 10.368 5.256 11.803 293 2HG PRO 49 2HG PRO 49 11.792 5.262 10.745 294 1HD PRO 49 1HD PRO 49 10.899 7.398 12.311 295 2HD PRO 49 2HD PRO 49 12.055 7.515 10.971 296 H ASN 50 H ASN 50 7.046 5.680 9.037 297 HA ASN 50 HA ASN 50 5.493 6.519 11.354 298 1HB ASN 50 1HB ASN 50 4.901 5.945 8.502 299 2HB ASN 50 2HB ASN 50 3.721 5.338 9.665 300 1HD2 ASN 50 1HD2 ASN 50 4.147 7.693 7.645 301 1HD2 ASN 50 1HD2 ASN 50 3.400 9.004 8.498 302 H ARG 51 H ARG 51 5.112 5.028 12.847 303 HA ARG 51 HA ARG 51 6.353 2.528 12.767 304 1HB ARG 51 1HB ARG 51 5.508 3.996 14.763 305 2HB ARG 51 2HB ARG 51 4.082 2.990 14.605 306 1HG ARG 51 1HG ARG 51 5.519 2.035 16.262 307 2HG ARG 51 2HG ARG 51 5.509 0.987 14.856 308 1HD ARG 51 1HD ARG 51 7.602 2.355 14.180 309 2HD ARG 51 2HD ARG 51 7.654 2.754 15.885 310 HE ARG 51 HE ARG 51 7.488 0.132 16.054 311 1HH1 ARG 51 1HH1 ARG 51 9.447 2.043 13.853 312 1HH2 ARG 51 1HH2 ARG 51 9.122 -1.428 15.891 313 2HH1 ARG 51 2HH1 ARG 51 10.690 0.836 13.732 314 2HH2 ARG 51 2HH2 ARG 51 10.504 -1.133 14.878 315 H CYS 52 H CYS 52 3.220 3.436 11.592 316 HA CYS 52 HA CYS 52 2.138 0.755 11.740 317 1HB CYS 52 1HB CYS 52 0.917 3.126 11.670 318 2HB CYS 52 2HB CYS 52 0.992 2.821 9.938 319 H ALA 53 H ALA 53 3.047 2.937 9.145 320 HA ALA 53 HA ALA 53 2.960 1.224 7.032 321 1HB ALA 53 1HB ALA 53 3.498 3.611 6.845 322 2HB ALA 53 2HB ALA 53 5.098 3.298 7.513 323 3HB ALA 53 3HB ALA 53 4.646 2.615 5.950 324 H GLN 54 H GLN 54 5.451 1.494 9.481 325 HA GLN 54 HA GLN 54 7.300 -0.306 8.320 326 1HB GLN 54 1HB GLN 54 6.911 0.593 11.173 327 2HB GLN 54 2HB GLN 54 8.305 -0.285 10.566 328 1HG GLN 54 1HG GLN 54 8.518 1.670 8.897 329 2HG GLN 54 2HG GLN 54 7.485 2.525 10.031 330 H GLN 55 H GLN 55 4.745 -0.563 10.744 331 HA GLN 55 HA GLN 55 5.151 -3.270 11.415 332 1HB GLN 55 1HB GLN 55 2.835 -1.399 11.680 333 2HB GLN 55 2HB GLN 55 2.657 -3.090 12.102 334 1HG GLN 55 1HG GLN 55 3.906 -0.920 13.535 335 2HG GLN 55 2HG GLN 55 3.331 -2.481 14.132 336 H LEU 56 H LEU 56 2.874 -1.743 9.184 337 HA LEU 56 HA LEU 56 1.627 -4.068 8.258 338 1HB LEU 56 1HB LEU 56 1.123 -1.547 7.935 339 2HB LEU 56 2HB LEU 56 2.183 -1.675 6.542 340 HG LEU 56 HG LEU 56 0.698 -3.321 5.533 341 H ALA 57 H ALA 57 3.947 -2.145 6.528 342 HA ALA 57 HA ALA 57 4.620 -3.955 4.551 343 1HB ALA 57 1HB ALA 57 5.251 -1.533 4.604 344 2HB ALA 57 2HB ALA 57 6.595 -1.971 5.656 345 3HB ALA 57 3HB ALA 57 6.510 -2.617 4.017 346 H GLY 58 H GLY 58 5.774 -3.902 7.825 347 1HA GLY 58 1HA GLY 58 7.408 -5.155 8.886 348 2HA GLY 58 2HA GLY 58 7.948 -5.725 7.309 349 H LYS 59 H LYS 59 4.665 -6.093 7.495 350 HA LYS 59 HA LYS 59 4.851 -8.782 8.618 351 1HB LYS 59 1HB LYS 59 3.268 -7.110 9.656 352 2HB LYS 59 2HB LYS 59 2.359 -7.191 8.161 353 1HG LYS 59 1HG LYS 59 2.297 -9.723 8.594 354 2HG LYS 59 2HG LYS 59 2.719 -9.288 10.252 355 1HD LYS 59 1HD LYS 59 0.353 -9.447 10.167 356 2HD LYS 59 2HD LYS 59 0.727 -7.719 10.185 357 1HE LYS 59 1HE LYS 59 -1.010 -8.314 8.523 358 2HE LYS 59 2HE LYS 59 0.426 -7.584 7.810 359 1HZ LYS 59 1HZ LYS 59 0.204 -10.514 7.967 360 2HZ LYS 59 2HZ LYS 59 -0.587 -9.670 6.729 361 3HZ LYS 59 3HZ LYS 59 1.096 -9.557 6.885 362 H GLN 60 H GLN 60 5.853 -8.661 6.139 363 HA GLN 60 HA GLN 60 4.034 -8.898 4.024 364 1HB GLN 60 1HB GLN 60 6.617 -10.336 3.930 365 2HB GLN 60 2HB GLN 60 5.808 -9.426 2.683 366 1HG GLN 60 1HG GLN 60 7.533 -8.026 3.117 367 2HG GLN 60 2HG GLN 60 6.353 -7.402 4.268 368 H SER 61 H SER 61 6.072 -11.575 5.064 369 HA SER 61 HA SER 61 4.091 -13.473 4.183 370 1HB SER 61 1HB SER 61 6.118 -14.934 5.344 371 2HB SER 61 2HB SER 61 6.045 -14.468 3.645 372 HG SER 61 HG SER 61 7.888 -13.540 4.128 373 H LEU 62 H LEU 62 2.829 -12.249 6.075 374 HA LEU 62 HA LEU 62 2.672 -14.219 8.209 375 1HB LEU 62 1HB LEU 62 3.619 -11.502 8.543 376 2HB LEU 62 2HB LEU 62 2.231 -11.841 9.554 377 HG LEU 62 HG LEU 62 4.784 -13.460 9.530 378 H1 MET 101 H1 MET 101 0.917 -15.984 4.915 379 H2 MET 101 H2 MET 101 0.804 -15.110 6.362 380 H3 MET 101 H3 MET 101 1.688 -16.555 6.303 381 HA MET 101 HA MET 101 -0.274 -17.827 5.915 382 1HB MET 101 1HB MET 101 0.224 -17.591 8.214 383 2HB MET 101 2HB MET 101 -0.346 -15.927 8.248 384 1HG MET 101 1HG MET 101 -2.636 -16.721 7.888 385 2HG MET 101 2HG MET 101 -2.049 -18.384 7.893 386 1HE MET 101 1HE MET 101 -4.198 -18.169 9.376 387 2HE MET 101 2HE MET 101 -4.017 -18.260 11.125 388 3HE MET 101 3HE MET 101 -4.292 -16.701 10.349 389 H LYS 102 H LYS 102 -1.048 -14.419 6.425 390 HA LYS 102 HA LYS 102 -2.752 -13.105 5.755 391 1HB LYS 102 1HB LYS 102 -2.054 -13.679 3.490 392 2HB LYS 102 2HB LYS 102 -3.018 -15.147 3.541 393 1HG LYS 102 1HG LYS 102 -4.859 -13.184 4.127 394 2HG LYS 102 2HG LYS 102 -3.812 -12.414 2.933 395 1HD LYS 102 1HD LYS 102 -4.403 -13.870 1.276 396 2HD LYS 102 2HD LYS 102 -4.718 -15.191 2.400 397 1HE LYS 102 1HE LYS 102 -6.474 -12.756 2.236 398 2HE LYS 102 2HE LYS 102 -6.735 -14.176 1.228 399 1HZ LYS 102 1HZ LYS 102 -6.684 -14.193 4.198 400 2HZ LYS 102 2HZ LYS 102 -8.092 -14.176 3.255 401 3HZ LYS 102 3HZ LYS 102 -7.043 -15.504 3.189 402 HA PRO 103 HA PRO 103 -5.898 -15.596 7.988 403 1HB PRO 103 1HB PRO 103 -6.427 -12.985 9.203 404 2HB PRO 103 2HB PRO 103 -6.040 -14.516 9.979 405 1HG PRO 103 1HG PRO 103 -4.286 -12.496 9.936 406 2HG PRO 103 2HG PRO 103 -3.759 -14.187 9.804 407 1HD PRO 103 1HD PRO 103 -4.106 -12.134 7.639 408 2HD PRO 103 2HD PRO 103 -2.787 -13.306 7.885 409 H VAL 104 H VAL 104 -8.266 -14.390 8.649 410 HA VAL 104 HA VAL 104 -9.592 -14.111 6.178 411 HB VAL 104 HB VAL 104 -10.651 -12.784 8.626 412 H THR 105 H THR 105 -10.405 -12.195 5.163 413 HA THR 105 HA THR 105 -9.395 -9.687 6.220 414 HB THR 105 HB THR 105 -8.418 -9.102 3.917 415 HG1 THR 105 HG1 THR 105 -8.788 -11.887 3.696 416 H LEU 106 H LEU 106 -9.977 -7.938 4.408 417 HA LEU 106 HA LEU 106 -12.847 -8.115 4.305 418 1HB LEU 106 1HB LEU 106 -12.206 -6.010 2.632 419 2HB LEU 106 2HB LEU 106 -12.661 -5.904 4.319 420 HG LEU 106 HG LEU 106 -10.032 -6.291 4.613 421 H TYR 107 H TYR 107 -10.261 -8.875 2.178 422 HA TYR 107 HA TYR 107 -11.618 -8.740 -0.284 423 1HB TYR 107 1HB TYR 107 -9.238 -10.263 0.741 424 2HB TYR 107 2HB TYR 107 -9.858 -10.550 -0.878 425 HD1 TYR 107 HD1 TYR 107 -8.089 -8.214 1.299 426 HD2 TYR 107 HD2 TYR 107 -9.640 -8.862 -2.606 427 HE1 TYR 107 HE1 TYR 107 -6.726 -6.350 0.451 428 HE2 TYR 107 HE2 TYR 107 -8.292 -6.997 -3.461 429 HH TYR 107 HH TYR 107 -5.740 -5.671 -1.829 430 H ASP 108 H ASP 108 -11.185 -11.221 2.143 431 HA ASP 108 HA ASP 108 -12.374 -13.360 0.807 432 1HB ASP 108 1HB ASP 108 -11.897 -12.693 3.726 433 2HB ASP 108 2HB ASP 108 -12.547 -14.242 3.210 434 H VAL 109 H VAL 109 -13.647 -11.337 3.430 435 HA VAL 109 HA VAL 109 -16.226 -12.395 3.131 436 HB VAL 109 HB VAL 109 -16.675 -11.402 5.020 437 H ALA 110 H ALA 110 -14.608 -9.881 1.428 438 HA ALA 110 HA ALA 110 -16.966 -8.672 0.337 439 1HB ALA 110 1HB ALA 110 -14.160 -8.652 -0.765 440 2HB ALA 110 2HB ALA 110 -15.479 -7.579 -1.235 441 3HB ALA 110 3HB ALA 110 -14.806 -7.489 0.393 442 H GLU 111 H GLU 111 -14.838 -11.278 -0.456 443 HA GLU 111 HA GLU 111 -15.742 -11.824 -3.092 444 1HB GLU 111 1HB GLU 111 -13.783 -12.756 -1.315 445 2HB GLU 111 2HB GLU 111 -14.796 -14.145 -1.638 446 1HG GLU 111 1HG GLU 111 -13.844 -12.500 -3.927 447 2HG GLU 111 2HG GLU 111 -12.729 -13.609 -3.139 448 H TYR 112 H TYR 112 -16.372 -13.048 0.074 449 HA TYR 112 HA TYR 112 -18.289 -15.010 -0.383 450 1HB TYR 112 1HB TYR 112 -16.948 -13.860 1.702 451 2HB TYR 112 2HB TYR 112 -18.589 -13.348 1.987 452 HD1 TYR 112 HD1 TYR 112 -16.807 -16.487 1.060 453 HD2 TYR 112 HD2 TYR 112 -19.805 -14.623 3.418 454 HE1 TYR 112 HE1 TYR 112 -17.255 -18.625 2.178 455 HE2 TYR 112 HE2 TYR 112 -20.265 -16.736 4.535 456 HH TYR 112 HH TYR 112 -19.955 -19.026 4.381 457 H ALA 113 H ALA 113 -18.697 -11.794 0.801 458 HA ALA 113 HA ALA 113 -21.480 -11.652 0.703 459 1HB ALA 113 1HB ALA 113 -20.288 -10.147 2.089 460 2HB ALA 113 2HB ALA 113 -21.179 -9.189 0.906 461 3HB ALA 113 3HB ALA 113 -19.445 -9.450 0.706 462 H GLY 114 H GLY 114 -19.181 -11.268 -1.825 463 1HA GLY 114 1HA GLY 114 -21.307 -11.014 -3.759 464 2HA GLY 114 2HA GLY 114 -19.588 -11.152 -4.105 465 H VAL 115 H VAL 115 -18.631 -9.054 -2.598 466 HA VAL 115 HA VAL 115 -19.603 -6.748 -4.105 467 HB VAL 115 HB VAL 115 -19.357 -5.309 -2.104 468 H SER 116 H SER 116 -17.869 -4.903 -3.032 469 HA SER 116 HA SER 116 -15.264 -6.007 -3.828 470 1HB SER 116 1HB SER 116 -14.598 -3.783 -4.419 471 2HB SER 116 2HB SER 116 -16.209 -4.013 -5.091 472 HG SER 116 HG SER 116 -17.043 -2.877 -3.294 473 H VAL 117 H VAL 117 -13.442 -4.544 -2.680 474 HA VAL 117 HA VAL 117 -13.695 -5.192 0.093 475 HB VAL 117 HB VAL 117 -11.412 -4.318 0.269 476 H ALA 118 H ALA 118 -14.337 -2.541 -1.905 477 HA ALA 118 HA ALA 118 -14.007 -0.478 0.010 478 1HB ALA 118 1HB ALA 118 -15.682 -0.518 -2.494 479 2HB ALA 118 2HB ALA 118 -15.225 0.916 -1.575 480 3HB ALA 118 3HB ALA 118 -13.990 -0.035 -2.402 481 H THR 119 H THR 119 -16.635 -2.582 -1.051 482 HA THR 119 HA THR 119 -18.687 -1.292 0.394 483 HB THR 119 HB THR 119 -18.886 -4.205 0.013 484 HG1 THR 119 HG1 THR 119 -19.162 -2.833 -2.364 485 H VAL 120 H VAL 120 -16.574 -3.984 1.091 486 HA VAL 120 HA VAL 120 -17.591 -4.547 3.652 487 HB VAL 120 HB VAL 120 -14.941 -5.229 2.407 488 H SER 121 H SER 121 -14.798 -2.519 2.679 489 HA SER 121 HA SER 121 -13.953 -1.930 5.283 490 1HB SER 121 1HB SER 121 -13.706 -0.478 2.660 491 2HB SER 121 2HB SER 121 -13.121 0.255 4.152 492 HG SER 121 HG SER 121 -11.795 -1.588 4.444 493 H ARG 122 H ARG 122 -16.491 -0.663 3.247 494 HA ARG 122 HA ARG 122 -17.268 1.564 4.797 495 1HB ARG 122 1HB ARG 122 -18.566 -0.272 2.850 496 2HB ARG 122 2HB ARG 122 -19.544 0.899 3.696 497 1HG ARG 122 1HG ARG 122 -17.098 1.656 2.140 498 2HG ARG 122 2HG ARG 122 -18.704 1.568 1.429 499 1HD ARG 122 1HD ARG 122 -19.506 3.203 3.086 500 2HD ARG 122 2HD ARG 122 -17.879 3.301 3.747 501 HE ARG 122 HE ARG 122 -18.495 4.083 0.977 502 1HH1 ARG 122 1HH1 ARG 122 -16.999 4.720 4.085 503 1HH2 ARG 122 1HH2 ARG 122 -17.593 6.080 0.324 504 2HH1 ARG 122 2HH1 ARG 122 -16.316 6.236 3.587 505 2HH2 ARG 122 2HH2 ARG 122 -16.659 7.007 1.454 506 H VAL 123 H VAL 123 -18.456 -1.765 4.764 507 HA VAL 123 HA VAL 123 -20.289 -1.362 6.902 508 HB VAL 123 HB VAL 123 -19.078 -3.962 5.980 509 H VAL 124 H VAL 124 -17.005 -2.538 6.651 510 HA VAL 124 HA VAL 124 -16.503 -3.253 9.294 511 HB VAL 124 HB VAL 124 -14.912 -2.454 6.921 512 H ASN 125 H ASN 125 -16.499 -0.219 7.616 513 HA ASN 125 HA ASN 125 -15.692 1.267 10.012 514 1HB ASN 125 1HB ASN 125 -16.017 1.936 7.119 515 2HB ASN 125 2HB ASN 125 -16.119 3.233 8.303 516 1HD2 ASN 125 1HD2 ASN 125 -14.088 1.080 6.613 517 1HD2 ASN 125 1HD2 ASN 125 -12.582 1.639 7.277 518 H GLN 126 H GLN 126 -18.404 -0.128 9.387 519 HA GLN 126 HA GLN 126 -20.599 0.199 9.827 520 1HB GLN 126 1HB GLN 126 -19.264 2.115 11.629 521 2HB GLN 126 2HB GLN 126 -21.014 2.192 11.481 522 1HG GLN 126 1HG GLN 126 -20.526 0.780 13.283 523 2HG GLN 126 2HG GLN 126 -21.067 -0.258 11.984 524 H ALA 127 H ALA 127 -20.075 0.980 7.499 525 HA ALA 127 HA ALA 127 -20.322 3.538 6.576 526 1HB ALA 127 1HB ALA 127 -20.887 0.888 5.476 527 2HB ALA 127 2HB ALA 127 -21.627 2.260 4.644 528 3HB ALA 127 3HB ALA 127 -19.879 2.202 4.870 529 H SER 128 H SER 128 -21.940 4.907 6.080 530 HA SER 128 HA SER 128 -24.591 4.287 7.076 531 1HB SER 128 1HB SER 128 -23.607 6.914 6.036 532 2HB SER 128 2HB SER 128 -25.007 6.632 7.061 533 HG SER 128 HG SER 128 -22.948 7.418 8.070 534 H HIS 129 H HIS 129 -22.789 4.987 4.211 535 HA HIS 129 HA HIS 129 -25.032 5.251 2.498 536 1HB HIS 129 1HB HIS 129 -22.089 5.032 2.056 537 2HB HIS 129 2HB HIS 129 -23.182 4.797 0.693 538 HD1 HIS 129 HD1 HIS 129 -21.813 7.064 -0.080 539 HD2 HIS 129 HD2 HIS 129 -24.631 7.451 2.947 540 HE1 HIS 129 HE1 HIS 129 -22.416 9.502 -0.021 541 HE2 HIS 129 HE2 HIS 129 -24.250 9.674 1.687 542 H VAL 130 H VAL 130 -23.203 2.531 3.589 543 HA VAL 130 HA VAL 130 -23.982 0.730 1.570 544 HB VAL 130 HB VAL 130 -22.602 0.531 4.160 545 H SER 131 H SER 131 -25.873 -0.219 1.267 546 HA SER 131 HA SER 131 -28.084 0.576 2.778 547 1HB SER 131 1HB SER 131 -28.201 -1.921 1.126 548 2HB SER 131 2HB SER 131 -29.365 -0.593 1.230 549 HG SER 131 HG SER 131 -28.302 0.475 -0.264 550 H ALA 132 H ALA 132 -29.383 -0.614 4.213 551 HA ALA 132 HA ALA 132 -28.171 -2.018 6.214 552 1HB ALA 132 1HB ALA 132 -30.400 -1.057 6.394 553 2HB ALA 132 2HB ALA 132 -30.389 -2.741 6.916 554 3HB ALA 132 3HB ALA 132 -31.037 -2.314 5.332 555 H LYS 133 H LYS 133 -29.708 -3.370 3.324 556 HA LYS 133 HA LYS 133 -29.484 -6.049 4.036 557 1HB LYS 133 1HB LYS 133 -30.237 -4.573 1.735 558 2HB LYS 133 2HB LYS 133 -29.140 -5.855 1.242 559 1HG LYS 133 1HG LYS 133 -31.553 -6.310 2.976 560 2HG LYS 133 2HG LYS 133 -31.568 -6.448 1.224 561 1HD LYS 133 1HD LYS 133 -30.352 -8.377 1.221 562 2HD LYS 133 2HD LYS 133 -29.483 -7.965 2.697 563 1HE LYS 133 1HE LYS 133 -32.344 -8.901 2.487 564 2HE LYS 133 2HE LYS 133 -30.979 -9.832 3.100 565 1HZ LYS 133 1HZ LYS 133 -30.761 -7.978 4.817 566 2HZ LYS 133 2HZ LYS 133 -32.312 -7.505 4.333 567 3HZ LYS 133 3HZ LYS 133 -32.069 -9.043 4.987 568 H THR 134 H THR 134 -27.239 -3.974 2.284 569 HA THR 134 HA THR 134 -25.306 -5.944 1.754 570 HB THR 134 HB THR 134 -24.820 -3.034 2.086 571 HG1 THR 134 HG1 THR 134 -25.047 -3.506 -0.448 572 H ARG 135 H ARG 135 -25.648 -3.584 4.322 573 HA ARG 135 HA ARG 135 -23.372 -4.056 5.755 574 1HB ARG 135 1HB ARG 135 -24.941 -2.330 6.415 575 2HB ARG 135 2HB ARG 135 -26.166 -3.530 6.802 576 1HG ARG 135 1HG ARG 135 -23.568 -3.612 8.249 577 2HG ARG 135 2HG ARG 135 -24.745 -2.388 8.682 578 1HD ARG 135 1HD ARG 135 -26.401 -4.188 8.970 579 2HD ARG 135 2HD ARG 135 -25.115 -5.346 8.689 580 HE ARG 135 HE ARG 135 -24.021 -4.483 10.704 581 1HH1 ARG 135 1HH1 ARG 135 -27.436 -3.806 10.274 582 1HH2 ARG 135 1HH2 ARG 135 -24.415 -4.186 12.924 583 2HH1 ARG 135 2HH1 ARG 135 -27.736 -3.607 11.970 584 2HH2 ARG 135 2HH2 ARG 135 -26.013 -3.792 13.472 585 H GLU 136 H GLU 136 -26.339 -5.882 5.767 586 HA GLU 136 HA GLU 136 -25.493 -7.763 7.749 587 1HB GLU 136 1HB GLU 136 -27.725 -7.903 5.771 588 2HB GLU 136 2HB GLU 136 -27.502 -9.019 7.087 589 1HG GLU 136 1HG GLU 136 -27.974 -7.376 8.673 590 2HG GLU 136 2HG GLU 136 -27.875 -6.093 7.472 591 H LYS 137 H LYS 137 -25.531 -7.545 4.308 592 HA LYS 137 HA LYS 137 -24.968 -10.104 3.458 593 1HB LYS 137 1HB LYS 137 -25.521 -8.177 2.011 594 2HB LYS 137 2HB LYS 137 -23.957 -7.479 2.375 595 1HG LYS 137 1HG LYS 137 -23.041 -9.713 1.446 596 2HG LYS 137 2HG LYS 137 -24.612 -9.802 0.648 597 1HD LYS 137 1HD LYS 137 -22.781 -7.410 0.488 598 2HD LYS 137 2HD LYS 137 -22.786 -8.715 -0.703 599 1HE LYS 137 1HE LYS 137 -24.968 -6.760 -0.054 600 2HE LYS 137 2HE LYS 137 -24.131 -6.980 -1.583 601 1HZ LYS 137 1HZ LYS 137 -25.176 -9.177 -1.764 602 2HZ LYS 137 2HZ LYS 137 -26.031 -8.896 -0.336 603 3HZ LYS 137 3HZ LYS 137 -26.317 -7.936 -1.698 604 H VAL 138 H VAL 138 -22.738 -7.582 4.265 605 HA VAL 138 HA VAL 138 -20.480 -9.331 3.876 606 HB VAL 138 HB VAL 138 -19.156 -7.604 3.603 607 H GLU 139 H GLU 139 -22.173 -7.933 6.653 608 HA GLU 139 HA GLU 139 -20.256 -8.571 8.580 609 1HB GLU 139 1HB GLU 139 -23.241 -8.223 8.644 610 2HB GLU 139 2HB GLU 139 -22.318 -8.596 10.077 611 1HG GLU 139 1HG GLU 139 -20.966 -6.477 8.928 612 2HG GLU 139 2HG GLU 139 -22.672 -6.088 8.715 613 H ALA 140 H ALA 140 -22.898 -10.333 7.128 614 HA ALA 140 HA ALA 140 -22.716 -12.628 8.722 615 1HB ALA 140 1HB ALA 140 -23.705 -12.346 5.887 616 2HB ALA 140 2HB ALA 140 -24.678 -12.244 7.355 617 3HB ALA 140 3HB ALA 140 -23.934 -13.777 6.893 618 H ALA 141 H ALA 141 -21.137 -11.632 5.783 619 HA ALA 141 HA ALA 141 -19.752 -14.004 5.229 620 1HB ALA 141 1HB ALA 141 -19.990 -12.269 3.550 621 2HB ALA 141 2HB ALA 141 -18.280 -12.570 3.855 622 3HB ALA 141 3HB ALA 141 -19.059 -11.145 4.541 623 H MET 142 H MET 142 -18.913 -11.074 7.008 624 HA MET 142 HA MET 142 -16.323 -11.656 7.749 625 1HB MET 142 1HB MET 142 -18.494 -10.202 9.240 626 2HB MET 142 2HB MET 142 -16.829 -10.250 9.770 627 1HG MET 142 1HG MET 142 -16.199 -9.150 7.613 628 2HG MET 142 2HG MET 142 -17.930 -8.945 7.297 629 1HE MET 142 1HE MET 142 -16.774 -6.538 6.959 630 2HE MET 142 2HE MET 142 -18.383 -6.150 7.569 631 3HE MET 142 3HE MET 142 -16.968 -5.333 8.230 632 H ALA 143 H ALA 143 -19.352 -12.536 9.118 633 HA ALA 143 HA ALA 143 -18.512 -13.631 11.559 634 1HB ALA 143 1HB ALA 143 -20.736 -14.518 11.744 635 2HB ALA 143 2HB ALA 143 -20.996 -14.303 10.011 636 3HB ALA 143 3HB ALA 143 -20.807 -12.896 11.056 637 H GLU 144 H GLU 144 -19.325 -15.261 8.522 638 HA GLU 144 HA GLU 144 -19.049 -17.877 9.435 639 1HB GLU 144 1HB GLU 144 -18.509 -16.864 6.687 640 2HB GLU 144 2HB GLU 144 -18.958 -18.494 7.140 641 1HG GLU 144 1HG GLU 144 -21.014 -17.150 8.187 642 2HG GLU 144 2HG GLU 144 -20.581 -16.088 6.852 643 H LEU 145 H LEU 145 -16.797 -15.765 7.820 644 HA LEU 145 HA LEU 145 -14.657 -17.634 7.799 645 1HB LEU 145 1HB LEU 145 -14.422 -14.671 7.442 646 2HB LEU 145 2HB LEU 145 -13.484 -15.942 6.700 647 HG LEU 145 HG LEU 145 -16.385 -15.794 6.056 648 H ASN 146 H ASN 146 -15.812 -15.224 9.984 649 HA ASN 146 HA ASN 146 -15.170 -14.545 12.041 650 1HB ASN 146 1HB ASN 146 -14.694 -16.872 12.570 651 2HB ASN 146 2HB ASN 146 -13.127 -16.718 11.816 652 1HD2 ASN 146 1HD2 ASN 146 -15.095 -15.779 14.493 653 1HD2 ASN 146 1HD2 ASN 146 -13.785 -15.350 15.539 654 H TYR 147 H TYR 147 -14.704 -12.957 10.328 655 HA TYR 147 HA TYR 147 -12.312 -12.188 9.306 656 1HB TYR 147 1HB TYR 147 -14.476 -11.230 8.713 657 2HB TYR 147 2HB TYR 147 -14.568 -10.431 10.271 658 HD1 TYR 147 HD1 TYR 147 -11.707 -10.600 7.855 659 HD2 TYR 147 HD2 TYR 147 -14.599 -8.171 9.820 660 HE1 TYR 147 HE1 TYR 147 -10.625 -8.577 6.970 661 HE2 TYR 147 HE2 TYR 147 -13.518 -6.159 8.932 662 HH TYR 147 HH TYR 147 -10.721 -6.376 6.768 663 H ILE 148 H ILE 148 -12.733 -9.431 10.803 664 HA ILE 148 HA ILE 148 -11.987 -8.319 12.687 665 HB ILE 148 HB ILE 148 -10.355 -10.794 13.113 666 HA PRO 149 HA PRO 149 -9.017 -6.816 9.723 667 1HB PRO 149 1HB PRO 149 -9.470 -4.239 10.090 668 2HB PRO 149 2HB PRO 149 -10.727 -5.279 9.396 669 1HG PRO 149 1HG PRO 149 -10.450 -4.225 12.182 670 2HG PRO 149 2HG PRO 149 -11.903 -4.398 11.181 671 1HD PRO 149 1HD PRO 149 -11.045 -6.194 13.155 672 2HD PRO 149 2HD PRO 149 -12.244 -6.545 11.895 673 H ASN 150 H ASN 150 -7.101 -5.701 9.676 674 HA ASN 150 HA ASN 150 -5.594 -5.674 12.097 675 1HB ASN 150 1HB ASN 150 -5.025 -5.405 9.193 676 2HB ASN 150 2HB ASN 150 -3.881 -4.646 10.312 677 1HD2 ASN 150 1HD2 ASN 150 -3.758 -7.006 8.500 678 1HD2 ASN 150 1HD2 ASN 150 -3.188 -8.295 9.520 679 H ARG 151 H ARG 151 -5.475 -4.072 13.404 680 HA ARG 151 HA ARG 151 -6.702 -1.606 13.093 681 1HB ARG 151 1HB ARG 151 -5.873 -2.877 15.206 682 2HB ARG 151 2HB ARG 151 -4.418 -1.934 14.956 683 1HG ARG 151 1HG ARG 151 -5.765 -0.775 16.517 684 2HG ARG 151 2HG ARG 151 -5.821 0.119 15.011 685 1HD ARG 151 1HD ARG 151 -7.950 -1.272 14.577 686 2HD ARG 151 2HD ARG 151 -7.913 -1.537 16.309 687 HE ARG 151 HE ARG 151 -7.825 1.014 16.398 688 1HH1 ARG 151 1HH1 ARG 151 -9.571 -0.834 13.976 689 1HH2 ARG 151 1HH2 ARG 151 -9.375 2.638 16.031 690 2HH1 ARG 151 2HH1 ARG 151 -10.744 0.413 13.708 691 2HH2 ARG 151 2HH2 ARG 151 -10.635 2.374 14.869 692 H CYS 152 H CYS 152 -3.595 -2.605 12.004 693 HA CYS 152 HA CYS 152 -2.477 0.075 11.948 694 1HB CYS 152 1HB CYS 152 -1.258 -2.292 12.098 695 2HB CYS 152 2HB CYS 152 -1.325 -2.140 10.344 696 H ALA 153 H ALA 153 -3.356 -2.312 9.508 697 HA ALA 153 HA ALA 153 -3.183 -0.740 7.284 698 1HB ALA 153 1HB ALA 153 -5.352 -2.780 7.807 699 2HB ALA 153 2HB ALA 153 -4.828 -2.196 6.229 700 3HB ALA 153 3HB ALA 153 -3.726 -3.139 7.231 701 H GLN 154 H GLN 154 -5.769 -0.865 9.649 702 HA GLN 154 HA GLN 154 -7.580 0.871 8.359 703 1HB GLN 154 1HB GLN 154 -7.209 0.266 11.289 704 2HB GLN 154 2HB GLN 154 -8.612 1.029 10.570 705 1HG GLN 154 1HG GLN 154 -8.736 -1.108 9.125 706 2HG GLN 154 2HG GLN 154 -7.714 -1.795 10.378 707 H GLN 155 H GLN 155 -5.101 1.344 10.826 708 HA GLN 155 HA GLN 155 -5.462 4.104 11.197 709 1HB GLN 155 1HB GLN 155 -3.171 2.241 11.692 710 2HB GLN 155 2HB GLN 155 -3.000 3.961 11.975 711 1HG GLN 155 1HG GLN 155 -4.276 1.924 13.563 712 2HG GLN 155 2HG GLN 155 -3.735 3.540 14.025 713 H LEU 156 H LEU 156 -3.103 2.349 9.200 714 HA LEU 156 HA LEU 156 -1.839 4.570 8.070 715 1HB LEU 156 1HB LEU 156 -1.267 2.050 8.067 716 2HB LEU 156 2HB LEU 156 -2.292 1.966 6.646 717 HG LEU 156 HG LEU 156 -0.812 3.464 5.440 718 H ALA 157 H ALA 157 -4.112 2.451 6.482 719 HA ALA 157 HA ALA 157 -4.705 4.051 4.298 720 1HB ALA 157 1HB ALA 157 -6.675 2.158 5.562 721 2HB ALA 157 2HB ALA 157 -6.641 2.698 3.884 722 3HB ALA 157 3HB ALA 157 -5.352 1.668 4.507 723 H GLY 158 H GLY 158 -6.003 4.290 7.517 724 1HA GLY 158 1HA GLY 158 -7.646 5.635 8.414 725 2HA GLY 158 2HA GLY 158 -8.163 6.023 6.778 726 H LYS 159 H LYS 159 -4.868 6.440 7.159 727 HA LYS 159 HA LYS 159 -5.117 9.232 7.941 728 1HB LYS 159 1HB LYS 159 -3.517 7.720 9.140 729 2HB LYS 159 2HB LYS 159 -2.621 7.605 7.640 730 1HG LYS 159 1HG LYS 159 -2.563 10.185 7.770 731 2HG LYS 159 2HG LYS 159 -2.920 9.930 9.479 732 1HD LYS 159 1HD LYS 159 -0.570 10.062 9.317 733 2HD LYS 159 2HD LYS 159 -0.931 8.343 9.479 734 1HE LYS 159 1HE LYS 159 0.757 8.837 7.727 735 2HE LYS 159 2HE LYS 159 -0.675 8.006 7.127 736 1HZ LYS 159 1HZ LYS 159 -0.434 10.951 6.990 737 2HZ LYS 159 2HZ LYS 159 0.182 9.943 5.775 738 3HZ LYS 159 3HZ LYS 159 -1.473 9.927 6.119 739 H GLN 160 H GLN 160 -6.131 8.968 5.526 740 HA GLN 160 HA GLN 160 -4.338 8.999 3.364 741 1HB GLN 160 1HB GLN 160 -6.968 10.382 3.279 742 2HB GLN 160 2HB GLN 160 -6.143 9.518 2.009 743 1HG GLN 160 1HG GLN 160 -7.629 7.914 2.444 744 2HG GLN 160 2HG GLN 160 -6.550 7.525 3.782 745 H SER 161 H SER 161 -6.359 11.728 4.271 746 HA SER 161 HA SER 161 -4.491 13.585 3.118 747 1HB SER 161 1HB SER 161 -6.576 14.946 4.468 748 2HB SER 161 2HB SER 161 -6.407 14.672 2.734 749 HG SER 161 HG SER 161 -8.378 13.824 3.603 750 H LEU 162 H LEU 162 -3.090 12.495 5.051 751 HA LEU 162 HA LEU 162 -2.839 14.662 6.988 752 1HB LEU 162 1HB LEU 162 -3.627 11.942 7.590 753 2HB LEU 162 2HB LEU 162 -2.196 12.425 8.479 754 HG LEU 162 HG LEU 162 -4.790 13.965 8.467 No H/Q in entry = 754
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