NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
12725 | 1ti3 | 6079 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ALA 1 1H ALA 1 -12.768 10.330 16.211 2 2H ALA 1 2H ALA 1 -13.185 8.881 16.878 3 HA ALA 1 HA ALA 1 -10.429 9.740 16.521 4 1HB ALA 1 1HB ALA 1 -10.059 7.297 17.520 5 2HB ALA 1 2HB ALA 1 -10.717 8.456 18.758 6 3HB ALA 1 3HB ALA 1 -11.750 7.293 18.010 7 H GLU 2 H GLU 2 -10.220 9.509 14.485 8 HA GLU 2 HA GLU 2 -11.379 7.290 12.829 9 1HB GLU 2 1HB GLU 2 -12.725 9.354 12.780 10 2HB GLU 2 2HB GLU 2 -11.404 10.314 12.064 11 1HG GLU 2 1HG GLU 2 -11.334 8.810 10.138 12 2HG GLU 2 2HG GLU 2 -12.763 7.871 10.740 13 HE2 GLU 2 HE GLU 2 -13.575 10.384 8.064 14 H GLU 3 H GLU 3 -9.742 6.279 11.992 15 HA GLU 3 HA GLU 3 -7.408 7.679 10.692 16 1HB GLU 3 1HB GLU 3 -5.856 6.051 11.766 17 2HB GLU 3 2HB GLU 3 -6.606 7.236 12.785 18 1HG GLU 3 1HG GLU 3 -8.220 5.294 13.484 19 2HG GLU 3 2HG GLU 3 -7.247 4.213 12.661 20 HE2 GLU 3 HE GLU 3 -5.401 3.689 15.439 21 H GLY 4 H GLY 4 -6.043 5.974 9.716 22 1HA GLY 4 1HA GLY 4 -7.318 4.084 7.778 23 2HA GLY 4 2HA GLY 4 -5.721 4.869 7.650 24 H GLN 5 H GLN 5 -6.192 2.059 7.615 25 HA GLN 5 HA GLN 5 -5.188 0.926 10.145 26 1HB GLN 5 1HB GLN 5 -6.852 -0.704 10.392 27 2HB GLN 5 2HB GLN 5 -7.761 0.779 10.136 28 1HG GLN 5 1HG GLN 5 -8.016 0.099 7.752 29 2HG GLN 5 2HG GLN 5 -7.403 -1.453 8.231 30 1HE2 GLN 5 1HE2 GLN 5 -10.215 0.714 8.783 31 2HE2 GLN 5 2HE2 GLN 5 -11.151 -0.686 9.395 32 H VAL 6 H VAL 6 -3.395 0.185 9.648 33 HA VAL 6 HA VAL 6 -2.727 -1.107 7.027 34 HB VAL 6 HB VAL 6 -0.786 -1.016 9.475 35 1HG1 VAL 6 1HG1 VAL 6 0.910 -1.033 7.595 36 2HG1 VAL 6 2HG1 VAL 6 -0.178 -2.453 7.524 37 3HG1 VAL 6 3HG1 VAL 6 -0.356 -1.226 6.448 38 1HG2 VAL 6 1HG2 VAL 6 -1.192 1.342 7.553 39 2HG2 VAL 6 2HG2 VAL 6 -1.391 1.308 9.241 40 3HG2 VAL 6 3HG2 VAL 6 0.232 0.974 8.566 41 H ILE 7 H ILE 7 -3.433 -2.984 6.651 42 HA ILE 7 HA ILE 7 -3.633 -5.155 8.679 43 HB ILE 7 HB ILE 7 -5.709 -4.170 7.716 44 1HG1 ILE 7 1HG1 ILE 7 -5.939 -5.942 9.103 45 2HG1 ILE 7 2HG1 ILE 7 -7.027 -6.206 7.749 46 1HG2 ILE 7 1HG2 ILE 7 -6.611 -4.744 5.693 47 2HG2 ILE 7 2HG2 ILE 7 -4.957 -4.006 5.399 48 3HG2 ILE 7 3HG2 ILE 7 -5.167 -5.788 5.166 49 1HD1 ILE 7 1HD1 ILE 7 -5.423 -7.858 6.691 50 2HD1 ILE 7 2HD1 ILE 7 -4.449 -7.860 8.088 51 3HD1 ILE 7 3HD1 ILE 7 -6.115 -8.411 8.186 52 H ALA 8 H ALA 8 -2.063 -6.674 8.374 53 HA ALA 8 HA ALA 8 -0.267 -7.227 6.207 54 1HB ALA 8 1HB ALA 8 0.278 -9.111 7.748 55 2HB ALA 8 2HB ALA 8 -0.087 -7.645 8.650 56 3HB ALA 8 3HB ALA 8 -1.263 -8.937 8.541 57 H CYS 9 H CYS 9 -0.358 -8.664 4.662 58 HA CYS 9 HA CYS 9 -2.739 -10.381 4.088 59 1HB CYS 9 1HB CYS 9 -1.253 -8.261 2.425 60 2HB CYS 9 2HB CYS 9 -2.416 -9.364 1.758 61 HG CYS 9 HG CYS 9 -4.015 -8.318 4.183 62 H HIS 10 H HIS 10 -2.601 -12.144 2.514 63 HA HIS 10 HA HIS 10 0.112 -13.491 2.521 64 1HB HIS 10 1HB HIS 10 -2.518 -14.419 3.695 65 2HB HIS 10 2HB HIS 10 -1.011 -15.392 3.734 66 HD1 HIS 10 1HD HIS 10 -2.915 -13.067 5.776 67 HD2 HIS 10 2HD HIS 10 1.047 -14.460 5.228 68 HE1 HIS 10 1HE HIS 10 -1.354 -12.464 7.930 69 H THR 11 H THR 11 -3.180 -13.421 1.008 70 HA THR 11 HA THR 11 -2.550 -15.665 -0.776 71 HB THR 11 HB THR 11 -4.694 -16.968 0.024 72 HG1 THR 11 1HG THR 11 -4.889 -15.694 2.426 73 1HG2 THR 11 1HG2 THR 11 -4.019 -18.020 2.033 74 2HG2 THR 11 2HG2 THR 11 -2.674 -17.876 0.883 75 3HG2 THR 11 3HG2 THR 11 -2.849 -16.806 2.320 76 H VAL 12 H VAL 12 -4.998 -16.257 -1.933 77 HA VAL 12 HA VAL 12 -6.032 -14.118 -3.293 78 HB VAL 12 HB VAL 12 -6.410 -16.391 -4.011 79 1HG1 VAL 12 1HG1 VAL 12 -8.738 -16.619 -1.956 80 2HG1 VAL 12 2HG1 VAL 12 -8.108 -17.898 -2.990 81 3HG1 VAL 12 3HG1 VAL 12 -7.129 -17.305 -1.658 82 1HG2 VAL 12 1HG2 VAL 12 -8.929 -14.758 -3.924 83 2HG2 VAL 12 2HG2 VAL 12 -7.695 -14.694 -5.266 84 3HG2 VAL 12 3HG2 VAL 12 -8.730 -16.102 -5.013 85 H ASP 13 H ASP 13 -6.622 -14.599 -0.043 86 HA ASP 13 HA ASP 13 -9.170 -13.019 0.324 87 1HB ASP 13 1HB ASP 13 -6.886 -13.655 2.294 88 2HB ASP 13 2HB ASP 13 -8.266 -12.741 2.793 89 HD2 ASP 13 HD ASP 13 -10.205 -13.827 3.265 90 H THR 14 H THR 14 -5.777 -11.905 0.588 91 HA THR 14 HA THR 14 -6.643 -9.155 0.517 92 HB THR 14 HB THR 14 -4.355 -9.873 0.993 93 HG1 THR 14 1HG THR 14 -3.492 -8.029 0.094 94 1HG2 THR 14 1HG2 THR 14 -3.988 -9.492 -1.994 95 2HG2 THR 14 2HG2 THR 14 -2.629 -9.816 -0.874 96 3HG2 THR 14 3HG2 THR 14 -3.815 -11.116 -1.272 97 H TRP 15 H TRP 15 -6.719 -11.293 -2.268 98 HA TRP 15 HA TRP 15 -7.208 -9.188 -4.337 99 1HB TRP 15 1HB TRP 15 -7.637 -12.218 -4.202 100 2HB TRP 15 2HB TRP 15 -8.629 -11.320 -5.255 101 HD1 TRP 15 HD TRP 15 -4.895 -12.132 -4.893 102 HE1 TRP 15 1HE TRP 15 -3.607 -11.630 -7.188 103 HE3 TRP 15 3HE TRP 15 -8.783 -9.778 -7.157 104 HZ2 TRP 15 2HZ TRP 15 -4.390 -10.306 -9.473 105 HZ3 TRP 15 3HZ TRP 15 -8.374 -8.732 -9.450 106 HH2 TRP 15 HH TRP 15 -6.157 -8.848 -10.436 107 H LYS 16 H LYS 16 -9.228 -10.904 -2.102 108 HA LYS 16 HA LYS 16 -11.630 -9.433 -2.824 109 1HB LYS 16 1HB LYS 16 -11.122 -10.553 -0.096 110 2HB LYS 16 2HB LYS 16 -12.621 -9.772 -0.718 111 1HG LYS 16 1HG LYS 16 -13.010 -11.649 -2.356 112 2HG LYS 16 2HG LYS 16 -11.502 -12.392 -2.056 113 1HD LYS 16 1HD LYS 16 -13.786 -12.238 0.007 114 2HD LYS 16 2HD LYS 16 -13.552 -13.563 -1.004 115 1HE LYS 16 1HE LYS 16 -11.325 -14.077 0.198 116 2HE LYS 16 2HE LYS 16 -11.372 -12.339 0.995 117 1HZ LYS 16 1HZ LYS 16 -13.447 -13.230 2.157 118 2HZ LYS 16 2HZ LYS 16 -13.168 -14.753 1.512 119 H GLU 17 H GLU 17 -9.219 -8.680 -0.300 120 HA GLU 17 HA GLU 17 -10.583 -6.382 0.690 121 1HB GLU 17 1HB GLU 17 -7.562 -7.209 1.047 122 2HB GLU 17 2HB GLU 17 -8.272 -5.802 1.821 123 1HG GLU 17 1HG GLU 17 -9.969 -7.421 2.888 124 2HG GLU 17 2HG GLU 17 -9.243 -8.805 2.142 125 HE2 GLU 17 HE GLU 17 -7.536 -6.772 5.116 126 H HIS 18 H HIS 18 -7.693 -6.611 -1.372 127 HA HIS 18 HA HIS 18 -7.171 -3.688 -1.771 128 1HB HIS 18 1HB HIS 18 -5.368 -5.303 -1.976 129 2HB HIS 18 2HB HIS 18 -6.073 -6.258 -3.240 130 HD1 HIS 18 1HD HIS 18 -6.467 -4.705 -5.591 131 HD2 HIS 18 2HD HIS 18 -3.554 -3.572 -2.680 132 HE1 HIS 18 1HE HIS 18 -4.632 -3.187 -6.729 133 H PHE 19 H PHE 19 -8.576 -6.006 -3.869 134 HA PHE 19 HA PHE 19 -9.057 -4.092 -6.013 135 1HB PHE 19 1HB PHE 19 -8.548 -6.543 -6.260 136 2HB PHE 19 2HB PHE 19 -10.251 -6.797 -5.773 137 HD1 PHE 19 1HD PHE 19 -12.006 -6.507 -7.594 138 HD2 PHE 19 2HD PHE 19 -8.072 -5.002 -8.240 139 HE1 PHE 19 1HE PHE 19 -12.555 -6.068 -9.941 140 HE2 PHE 19 2HE PHE 19 -8.506 -4.745 -10.673 141 HZ PHE 19 HZ PHE 19 -10.802 -5.272 -11.516 142 H GLU 20 H GLU 20 -11.367 -5.656 -3.910 143 HA GLU 20 HA GLU 20 -13.692 -4.131 -4.714 144 1HB GLU 20 1HB GLU 20 -13.916 -5.873 -2.259 145 2HB GLU 20 2HB GLU 20 -15.187 -5.080 -3.229 146 1HG GLU 20 1HG GLU 20 -13.420 -7.383 -4.205 147 2HG GLU 20 2HG GLU 20 -15.147 -7.443 -3.736 148 HE2 GLU 20 HE GLU 20 -16.225 -5.626 -6.569 149 H LYS 21 H LYS 21 -11.626 -3.607 -1.904 150 HA LYS 21 HA LYS 21 -13.133 -1.193 -1.046 151 1HB LYS 21 1HB LYS 21 -10.124 -1.626 -0.747 152 2HB LYS 21 2HB LYS 21 -10.944 -0.296 -0.134 153 1HG LYS 21 1HG LYS 21 -11.512 -3.228 0.602 154 2HG LYS 21 2HG LYS 21 -10.508 -2.080 1.573 155 1HD LYS 21 1HD LYS 21 -12.261 -0.689 2.276 156 2HD LYS 21 2HD LYS 21 -13.392 -1.503 1.258 157 1HE LYS 21 1HE LYS 21 -13.786 -2.074 3.628 158 2HE LYS 21 2HE LYS 21 -13.314 -3.572 2.550 159 1HZ LYS 21 1HZ LYS 21 -11.324 -3.645 3.671 160 2HZ LYS 21 2HZ LYS 21 -11.160 -2.080 3.968 161 H GLY 22 H GLY 22 -10.165 -1.399 -3.185 162 1HA GLY 22 1HA GLY 22 -9.939 1.243 -4.032 163 2HA GLY 22 2HA GLY 22 -9.392 -0.061 -5.062 164 H LYS 23 H LYS 23 -10.947 -1.053 -6.591 165 HA LYS 23 HA LYS 23 -13.170 0.651 -7.681 166 1HB LYS 23 1HB LYS 23 -11.611 -0.726 -9.104 167 2HB LYS 23 2HB LYS 23 -12.323 -2.230 -8.486 168 1HG LYS 23 1HG LYS 23 -14.505 -0.369 -9.347 169 2HG LYS 23 2HG LYS 23 -13.242 -0.171 -10.505 170 1HD LYS 23 1HD LYS 23 -14.421 -2.856 -9.599 171 2HD LYS 23 2HD LYS 23 -15.171 -1.972 -10.872 172 1HE LYS 23 1HE LYS 23 -12.257 -3.055 -10.979 173 2HE LYS 23 2HE LYS 23 -13.664 -3.770 -11.813 174 1HZ LYS 23 1HZ LYS 23 -13.916 -1.989 -13.216 175 2HZ LYS 23 2HZ LYS 23 -12.806 -1.150 -12.395 176 H GLY 24 H GLY 24 -14.304 0.848 -5.938 177 1HA GLY 24 1HA GLY 24 -16.667 -0.391 -6.080 178 2HA GLY 24 2HA GLY 24 -15.942 -1.490 -4.859 179 H SER 25 H SER 25 -14.571 1.002 -3.994 180 HA SER 25 HA SER 25 -16.667 2.294 -2.233 181 1HB SER 25 1HB SER 25 -14.014 1.096 -1.236 182 2HB SER 25 2HB SER 25 -14.955 2.462 -0.550 183 HG SER 25 HG SER 25 -16.490 1.128 0.042 184 H GLN 26 H GLN 26 -16.501 4.305 -2.245 185 HA GLN 26 HA GLN 26 -14.499 6.074 -3.599 186 1HB GLN 26 1HB GLN 26 -16.738 6.821 -1.617 187 2HB GLN 26 2HB GLN 26 -15.634 7.815 -2.541 188 1HG GLN 26 1HG GLN 26 -17.639 7.867 -3.580 189 2HG GLN 26 2HG GLN 26 -16.427 7.092 -4.718 190 1HE2 GLN 26 1HE2 GLN 26 -17.504 5.367 -5.802 191 2HE2 GLN 26 2HE2 GLN 26 -19.044 4.496 -5.244 192 H LYS 27 H LYS 27 -12.607 5.014 -2.574 193 HA LYS 27 HA LYS 27 -11.373 6.871 -0.681 194 1HB LYS 27 1HB LYS 27 -10.482 5.125 0.768 195 2HB LYS 27 2HB LYS 27 -12.312 5.201 0.860 196 1HG LYS 27 1HG LYS 27 -12.455 3.115 -0.555 197 2HG LYS 27 2HG LYS 27 -10.669 3.027 -0.531 198 1HD LYS 27 1HD LYS 27 -11.601 1.502 1.115 199 2HD LYS 27 2HD LYS 27 -10.675 2.723 1.994 200 1HE LYS 27 1HE LYS 27 -13.327 3.741 2.300 201 2HE LYS 27 2HE LYS 27 -13.715 2.223 1.700 202 1HZ LYS 27 1HZ LYS 27 -12.439 1.230 3.654 203 2HZ LYS 27 2HZ LYS 27 -12.009 2.787 4.156 204 H LEU 28 H LEU 28 -9.201 6.795 -0.550 205 HA LEU 28 HA LEU 28 -7.659 5.531 -2.832 206 1HB LEU 28 1HB LEU 28 -7.074 7.918 -2.031 207 2HB LEU 28 2HB LEU 28 -6.572 7.311 -0.454 208 HG LEU 28 HG LEU 28 -4.739 6.041 -1.291 209 1HD1 LEU 28 1HD1 LEU 28 -4.047 6.159 -3.568 210 2HD1 LEU 28 2HD1 LEU 28 -5.647 5.470 -3.749 211 3HD1 LEU 28 3HD1 LEU 28 -5.376 7.215 -4.135 212 1HD2 LEU 28 1HD2 LEU 28 -4.684 8.607 -0.767 213 2HD2 LEU 28 2HD2 LEU 28 -3.318 8.030 -1.741 214 3HD2 LEU 28 3HD2 LEU 28 -4.673 8.844 -2.572 215 H ILE 29 H ILE 29 -6.290 3.838 -2.432 216 HA ILE 29 HA ILE 29 -6.027 2.600 0.268 217 HB ILE 29 HB ILE 29 -6.488 0.529 -0.237 218 1HG1 ILE 29 1HG1 ILE 29 -7.318 0.695 -3.207 219 2HG1 ILE 29 2HG1 ILE 29 -5.627 0.674 -2.911 220 1HG2 ILE 29 1HG2 ILE 29 -8.757 0.125 -0.776 221 2HG2 ILE 29 2HG2 ILE 29 -8.615 1.788 -0.037 222 3HG2 ILE 29 3HG2 ILE 29 -8.901 1.624 -1.801 223 1HD1 ILE 29 1HD1 ILE 29 -6.050 -1.636 -3.087 224 2HD1 ILE 29 2HD1 ILE 29 -5.772 -1.401 -1.458 225 3HD1 ILE 29 3HD1 ILE 29 -7.432 -1.508 -1.942 226 H VAL 30 H VAL 30 -4.089 1.725 0.544 227 HA VAL 30 HA VAL 30 -1.958 2.238 -1.531 228 HB VAL 30 HB VAL 30 -1.939 3.414 1.233 229 1HG1 VAL 30 1HG1 VAL 30 0.419 3.671 -0.822 230 2HG1 VAL 30 2HG1 VAL 30 0.278 4.392 0.819 231 3HG1 VAL 30 3HG1 VAL 30 0.453 2.690 0.478 232 1HG2 VAL 30 1HG2 VAL 30 -1.731 5.623 -0.318 233 2HG2 VAL 30 2HG2 VAL 30 -2.210 4.641 -1.724 234 3HG2 VAL 30 3HG2 VAL 30 -3.219 4.807 -0.192 235 H VAL 31 H VAL 31 -0.533 0.778 -1.477 236 HA VAL 31 HA VAL 31 -0.408 -1.277 0.580 237 HB VAL 31 HB VAL 31 -1.941 -2.177 -0.777 238 1HG1 VAL 31 1HG1 VAL 31 -1.532 -1.084 -3.043 239 2HG1 VAL 31 2HG1 VAL 31 -0.138 -1.964 -3.159 240 3HG1 VAL 31 3HG1 VAL 31 -1.547 -2.969 -3.205 241 1HG2 VAL 31 1HG2 VAL 31 -1.132 -4.528 -1.177 242 2HG2 VAL 31 2HG2 VAL 31 0.605 -3.960 -1.276 243 3HG2 VAL 31 3HG2 VAL 31 -0.127 -3.854 0.169 244 H ASP 32 H ASP 32 1.624 -1.761 1.099 245 HA ASP 32 HA ASP 32 3.974 -1.197 -0.678 246 1HB ASP 32 1HB ASP 32 3.722 -1.127 2.163 247 2HB ASP 32 2HB ASP 32 3.938 -2.832 1.999 248 HD2 ASP 32 HD ASP 32 7.203 -0.590 0.685 249 H PHE 33 H PHE 33 5.270 -2.940 -1.676 250 HA PHE 33 HA PHE 33 4.583 -5.847 -1.569 251 1HB PHE 33 1HB PHE 33 5.118 -3.855 -3.895 252 2HB PHE 33 2HB PHE 33 5.295 -5.611 -3.904 253 HD1 PHE 33 1HD PHE 33 3.380 -7.057 -3.248 254 HD2 PHE 33 2HD PHE 33 2.799 -2.928 -4.407 255 HE1 PHE 33 1HE PHE 33 0.998 -7.530 -3.508 256 HE2 PHE 33 2HE PHE 33 0.614 -3.492 -4.838 257 HZ PHE 33 HZ PHE 33 -0.441 -5.777 -4.551 258 H THR 34 H THR 34 6.021 -6.783 -0.415 259 HA THR 34 HA THR 34 8.849 -5.944 -0.041 260 HB THR 34 HB THR 34 7.999 -4.244 1.301 261 HG1 THR 34 1HG THR 34 8.967 -6.210 2.909 262 1HG2 THR 34 1HG2 THR 34 5.798 -4.972 2.194 263 2HG2 THR 34 2HG2 THR 34 6.586 -6.495 2.657 264 3HG2 THR 34 3HG2 THR 34 6.964 -5.086 3.658 265 H ALA 35 H ALA 35 9.877 -7.569 0.160 266 HA ALA 35 HA ALA 35 9.090 -10.165 1.183 267 1HB ALA 35 1HB ALA 35 10.654 -9.683 -0.640 268 2HB ALA 35 2HB ALA 35 11.748 -8.840 0.573 269 3HB ALA 35 3HB ALA 35 11.328 -10.602 0.802 270 H SER 36 H SER 36 8.998 -10.990 3.095 271 HA SER 36 HA SER 36 9.166 -9.674 5.624 272 1HB SER 36 1HB SER 36 7.973 -11.643 5.274 273 2HB SER 36 2HB SER 36 9.419 -12.534 4.913 274 HG SER 36 HG SER 36 8.307 -11.924 7.225 275 H TRP 37 H TRP 37 11.811 -11.328 3.977 276 HA TRP 37 HA TRP 37 13.966 -10.086 5.651 277 1HB TRP 37 1HB TRP 37 15.528 -10.769 4.072 278 2HB TRP 37 2HB TRP 37 14.671 -12.126 4.621 279 HD1 TRP 37 HD TRP 37 12.714 -13.253 2.982 280 HE1 TRP 37 1HE TRP 37 12.391 -13.481 0.359 281 HE3 TRP 37 3HE TRP 37 16.160 -9.690 1.662 282 HZ2 TRP 37 2HZ TRP 37 13.764 -12.279 -1.873 283 HZ3 TRP 37 3HZ TRP 37 16.789 -9.496 -0.752 284 HH2 TRP 37 HH TRP 37 15.500 -10.752 -2.438 285 H CYS 38 H CYS 38 13.627 -8.106 5.750 286 HA CYS 38 HA CYS 38 14.864 -6.223 3.988 287 1HB CYS 38 1HB CYS 38 13.046 -6.314 2.448 288 2HB CYS 38 2HB CYS 38 11.791 -5.818 3.588 289 HG CYS 38 HG CYS 38 14.296 -4.014 2.259 290 HA PRO 39 HA PRO 39 14.448 -4.756 8.371 291 1HB PRO 39 1HB PRO 39 17.248 -3.721 7.804 292 2HB PRO 39 2HB PRO 39 16.486 -4.637 9.138 293 1HG PRO 39 1HG PRO 39 18.187 -5.756 7.233 294 2HG PRO 39 2HG PRO 39 16.969 -6.727 8.195 295 1HD PRO 39 1HD PRO 39 16.843 -5.300 5.411 296 2HD PRO 39 2HD PRO 39 16.361 -6.977 5.762 297 HA PRO 40 HA PRO 40 14.799 -0.088 6.210 298 1HB PRO 40 1HB PRO 40 14.537 -1.290 3.350 299 2HB PRO 40 2HB PRO 40 15.081 0.390 3.839 300 1HG PRO 40 1HG PRO 40 16.956 -1.286 3.518 301 2HG PRO 40 2HG PRO 40 16.978 -0.523 5.097 302 1HD PRO 40 1HD PRO 40 15.724 -3.394 4.442 303 2HD PRO 40 2HD PRO 40 17.061 -2.901 5.677 304 H CYS 41 H CYS 41 12.687 -2.527 4.714 305 HA CYS 41 HA CYS 41 10.303 -0.919 5.097 306 1HB CYS 41 1HB CYS 41 10.266 -3.684 4.301 307 2HB CYS 41 2HB CYS 41 8.758 -2.853 4.594 308 HG CYS 41 HG CYS 41 10.026 -3.050 2.079 309 H LYS 42 H LYS 42 11.797 -3.251 7.178 310 HA LYS 42 HA LYS 42 9.850 -3.459 9.264 311 1HB LYS 42 1HB LYS 42 11.967 -4.774 8.865 312 2HB LYS 42 2HB LYS 42 12.873 -3.503 9.687 313 1HG LYS 42 1HG LYS 42 11.508 -3.907 11.758 314 2HG LYS 42 2HG LYS 42 10.692 -5.270 10.867 315 1HD LYS 42 1HD LYS 42 13.249 -6.137 10.470 316 2HD LYS 42 2HD LYS 42 13.775 -4.891 11.542 317 1HE LYS 42 1HE LYS 42 13.550 -6.885 12.946 318 2HE LYS 42 2HE LYS 42 12.111 -6.030 13.338 319 1HZ LYS 42 1HZ LYS 42 11.093 -7.403 11.493 320 2HZ LYS 42 2HZ LYS 42 12.417 -8.476 11.678 321 H MET 43 H MET 43 12.293 -1.046 8.971 322 HA MET 43 HA MET 43 11.274 0.716 11.113 323 1HB MET 43 1HB MET 43 12.436 2.598 10.290 324 2HB MET 43 2HB MET 43 13.307 1.298 10.691 325 1HG MET 43 1HG MET 43 13.692 0.598 8.277 326 2HG MET 43 2HG MET 43 12.479 1.861 7.873 327 1HE MET 43 1HE MET 43 15.273 4.131 6.477 328 2HE MET 43 2HE MET 43 15.027 2.345 6.102 329 3HE MET 43 3HE MET 43 13.659 3.492 6.345 330 H ILE 44 H ILE 44 10.714 0.786 7.638 331 HA ILE 44 HA ILE 44 8.581 2.726 7.409 332 HB ILE 44 HB ILE 44 10.134 1.303 5.521 333 1HG1 ILE 44 1HG1 ILE 44 8.918 2.985 3.949 334 2HG1 ILE 44 2HG1 ILE 44 7.995 3.419 5.351 335 1HG2 ILE 44 1HG2 ILE 44 7.189 0.815 4.678 336 2HG2 ILE 44 2HG2 ILE 44 8.846 0.362 3.900 337 3HG2 ILE 44 3HG2 ILE 44 8.306 -0.355 5.304 338 1HD1 ILE 44 1HD1 ILE 44 10.987 3.809 5.081 339 2HD1 ILE 44 2HD1 ILE 44 9.711 5.012 5.333 340 3HD1 ILE 44 3HD1 ILE 44 10.156 4.008 6.662 341 H ALA 45 H ALA 45 7.898 -0.714 7.816 342 HA ALA 45 HA ALA 45 5.111 -0.476 7.963 343 1HB ALA 45 1HB ALA 45 6.910 -2.210 9.782 344 2HB ALA 45 2HB ALA 45 5.110 -2.262 9.829 345 3HB ALA 45 3HB ALA 45 5.979 -2.665 8.283 346 HA PRO 46 HA PRO 46 4.806 1.633 12.334 347 1HB PRO 46 1HB PRO 46 7.657 2.519 12.816 348 2HB PRO 46 2HB PRO 46 6.339 2.100 14.014 349 1HG PRO 46 1HG PRO 46 8.305 0.416 13.538 350 2HG PRO 46 2HG PRO 46 6.699 -0.178 13.747 351 1HD PRO 46 1HD PRO 46 8.175 0.388 11.083 352 2HD PRO 46 2HD PRO 46 7.332 -1.051 11.495 353 H ILE 47 H ILE 47 7.106 3.144 10.044 354 HA ILE 47 HA ILE 47 6.029 5.861 10.116 355 HB ILE 47 HB ILE 47 7.514 4.677 7.791 356 1HG1 ILE 47 1HG1 ILE 47 8.746 4.708 9.857 357 2HG1 ILE 47 2HG1 ILE 47 9.568 5.969 8.680 358 1HG2 ILE 47 1HG2 ILE 47 6.076 6.573 7.106 359 2HG2 ILE 47 2HG2 ILE 47 6.864 7.678 8.176 360 3HG2 ILE 47 3HG2 ILE 47 7.699 6.919 6.848 361 1HD1 ILE 47 1HD1 ILE 47 9.606 6.954 10.927 362 2HD1 ILE 47 2HD1 ILE 47 8.430 7.883 9.886 363 3HD1 ILE 47 3HD1 ILE 47 7.868 6.751 11.115 364 H PHE 48 H PHE 48 5.124 3.215 7.903 365 HA PHE 48 HA PHE 48 2.984 4.501 6.754 366 1HB PHE 48 1HB PHE 48 4.384 2.439 6.070 367 2HB PHE 48 2HB PHE 48 3.500 1.520 7.339 368 HD1 PHE 48 1HD PHE 48 2.292 -0.025 6.234 369 HD2 PHE 48 2HD PHE 48 2.743 3.676 4.295 370 HE1 PHE 48 1HE PHE 48 0.861 -0.852 4.446 371 HE2 PHE 48 2HE PHE 48 1.351 2.949 2.334 372 HZ PHE 48 HZ PHE 48 0.459 0.703 2.307 373 H ALA 49 H ALA 49 2.977 2.949 9.924 374 HA ALA 49 HA ALA 49 0.120 3.140 10.557 375 1HB ALA 49 1HB ALA 49 1.251 1.235 11.505 376 2HB ALA 49 2HB ALA 49 2.644 2.324 12.104 377 3HB ALA 49 3HB ALA 49 0.907 2.317 12.829 378 H GLU 50 H GLU 50 3.006 5.119 11.534 379 HA GLU 50 HA GLU 50 1.397 7.089 13.101 380 1HB GLU 50 1HB GLU 50 3.870 6.787 13.487 381 2HB GLU 50 2HB GLU 50 4.188 7.109 11.801 382 1HG GLU 50 1HG GLU 50 3.211 9.488 12.155 383 2HG GLU 50 2HG GLU 50 3.001 9.024 13.837 384 HE2 GLU 50 HE GLU 50 6.851 9.147 12.438 385 H LEU 51 H LEU 51 2.595 7.093 9.829 386 HA LEU 51 HA LEU 51 1.129 9.445 8.834 387 1HB LEU 51 1HB LEU 51 2.960 8.292 7.774 388 2HB LEU 51 2HB LEU 51 2.075 6.927 7.321 389 HG LEU 51 HG LEU 51 2.599 8.655 5.572 390 1HD1 LEU 51 1HD1 LEU 51 0.664 8.015 4.030 391 2HD1 LEU 51 2HD1 LEU 51 0.864 6.791 5.273 392 3HD1 LEU 51 3HD1 LEU 51 -0.506 7.947 5.337 393 1HD2 LEU 51 1HD2 LEU 51 1.982 10.668 6.702 394 2HD2 LEU 51 2HD2 LEU 51 0.993 10.773 5.256 395 3HD2 LEU 51 3HD2 LEU 51 0.219 10.174 6.841 396 H ALA 52 H ALA 52 -0.015 6.128 8.874 397 HA ALA 52 HA ALA 52 -2.642 6.451 7.912 398 1HB ALA 52 1HB ALA 52 -1.554 4.186 8.356 399 2HB ALA 52 2HB ALA 52 -2.034 4.333 10.108 400 3HB ALA 52 3HB ALA 52 -3.151 4.280 8.736 401 H LYS 53 H LYS 53 -1.666 7.107 11.106 402 HA LYS 53 HA LYS 53 -4.290 7.676 12.371 403 1HB LYS 53 1HB LYS 53 -1.381 8.304 13.357 404 2HB LYS 53 2HB LYS 53 -2.830 8.746 14.201 405 1HG LYS 53 1HG LYS 53 -3.591 6.248 14.205 406 2HG LYS 53 2HG LYS 53 -1.889 6.002 13.545 407 1HD LYS 53 1HD LYS 53 -0.714 6.525 15.454 408 2HD LYS 53 2HD LYS 53 -2.227 7.195 16.253 409 1HE LYS 53 1HE LYS 53 -3.128 4.866 16.102 410 2HE LYS 53 2HE LYS 53 -1.632 4.220 15.390 411 1HZ LYS 53 1HZ LYS 53 -1.846 5.486 18.117 412 2HZ LYS 53 2HZ LYS 53 -1.622 3.884 17.787 413 H LYS 54 H LYS 54 -1.840 9.371 10.497 414 HA LYS 54 HA LYS 54 -2.760 12.080 10.984 415 1HB LYS 54 1HB LYS 54 -0.426 11.191 10.346 416 2HB LYS 54 2HB LYS 54 -0.825 11.184 8.758 417 1HG LYS 54 1HG LYS 54 -1.521 13.632 9.047 418 2HG LYS 54 2HG LYS 54 -0.764 13.585 10.712 419 1HD LYS 54 1HD LYS 54 0.625 13.036 8.027 420 2HD LYS 54 2HD LYS 54 0.748 14.581 8.815 421 1HE LYS 54 1HE LYS 54 1.983 13.534 10.739 422 2HE LYS 54 2HE LYS 54 1.707 11.933 10.242 423 1HZ LYS 54 1HZ LYS 54 3.883 12.563 9.602 424 2HZ LYS 54 2HZ LYS 54 2.956 12.167 8.351 425 H PHE 55 H PHE 55 -3.571 9.577 8.747 426 HA PHE 55 HA PHE 55 -4.974 11.294 6.774 427 1HB PHE 55 1HB PHE 55 -2.674 9.489 6.585 428 2HB PHE 55 2HB PHE 55 -3.676 9.192 5.332 429 HD1 PHE 55 1HD PHE 55 -1.327 11.568 6.795 430 HD2 PHE 55 2HD PHE 55 -4.487 11.368 3.909 431 HE1 PHE 55 1HE PHE 55 -0.504 13.649 5.740 432 HE2 PHE 55 2HE PHE 55 -3.754 13.473 2.996 433 HZ PHE 55 HZ PHE 55 -1.855 14.649 3.879 434 HA PRO 56 HA PRO 56 -8.201 8.064 8.015 435 1HB PRO 56 1HB PRO 56 -10.377 9.652 8.040 436 2HB PRO 56 2HB PRO 56 -9.266 9.466 9.402 437 1HG PRO 56 1HG PRO 56 -9.398 11.659 7.376 438 2HG PRO 56 2HG PRO 56 -9.052 11.852 9.061 439 1HD PRO 56 1HD PRO 56 -7.290 11.700 6.893 440 2HD PRO 56 2HD PRO 56 -6.672 11.577 8.595 441 H ASN 57 H ASN 57 -7.976 9.505 5.024 442 HA ASN 57 HA ASN 57 -10.560 8.762 3.858 443 1HB ASN 57 1HB ASN 57 -9.940 10.146 2.004 444 2HB ASN 57 2HB ASN 57 -10.027 11.083 3.417 445 1HD2 ASN 57 2HD2 ASN 57 -8.453 12.371 4.005 446 2HD2 ASN 57 1HD2 ASN 57 -6.863 12.520 3.101 447 H VAL 58 H VAL 58 -7.767 7.463 4.489 448 HA VAL 58 HA VAL 58 -7.390 5.817 1.902 449 HB VAL 58 HB VAL 58 -6.153 7.935 1.844 450 1HG1 VAL 58 1HG1 VAL 58 -4.668 7.148 4.428 451 2HG1 VAL 58 2HG1 VAL 58 -4.354 8.545 3.501 452 3HG1 VAL 58 3HG1 VAL 58 -5.893 8.598 4.226 453 1HG2 VAL 58 1HG2 VAL 58 -5.044 5.653 1.208 454 2HG2 VAL 58 2HG2 VAL 58 -3.956 7.170 1.500 455 3HG2 VAL 58 3HG2 VAL 58 -4.210 5.735 2.697 456 H THR 59 H THR 59 -7.893 3.753 2.382 457 HA THR 59 HA THR 59 -6.784 2.468 4.812 458 HB THR 59 HB THR 59 -7.892 1.260 2.063 459 HG1 THR 59 1HG THR 59 -9.200 1.035 4.632 460 1HG2 THR 59 1HG2 THR 59 -7.385 -0.588 4.503 461 2HG2 THR 59 2HG2 THR 59 -8.347 -0.948 3.022 462 3HG2 THR 59 3HG2 THR 59 -6.607 -0.561 2.876 463 H PHE 60 H PHE 60 -5.422 0.823 4.884 464 HA PHE 60 HA PHE 60 -3.021 0.904 3.203 465 1HB PHE 60 1HB PHE 60 -3.001 1.221 6.223 466 2HB PHE 60 2HB PHE 60 -1.556 1.051 5.267 467 HD1 PHE 60 1HD PHE 60 -1.123 2.752 3.432 468 HD2 PHE 60 2HD PHE 60 -3.854 3.637 6.562 469 HE1 PHE 60 1HE PHE 60 -0.826 5.163 2.973 470 HE2 PHE 60 2HE PHE 60 -3.495 6.110 6.029 471 HZ PHE 60 HZ PHE 60 -2.179 6.771 4.273 472 H LEU 61 H LEU 61 -2.137 -1.033 2.724 473 HA LEU 61 HA LEU 61 -2.343 -3.313 4.528 474 1HB LEU 61 1HB LEU 61 -3.810 -4.604 3.372 475 2HB LEU 61 2HB LEU 61 -4.527 -3.034 3.240 476 HG LEU 61 HG LEU 61 -3.090 -2.941 0.945 477 1HD1 LEU 61 1HD1 LEU 61 -3.961 -6.030 1.268 478 2HD1 LEU 61 2HD1 LEU 61 -3.272 -5.242 -0.158 479 3HD1 LEU 61 3HD1 LEU 61 -2.297 -5.432 1.368 480 1HD2 LEU 61 1HD2 LEU 61 -5.515 -2.580 1.064 481 2HD2 LEU 61 2HD2 LEU 61 -5.029 -3.681 -0.344 482 3HD2 LEU 61 3HD2 LEU 61 -5.867 -4.335 1.148 483 H LYS 62 H LYS 62 -1.249 -5.240 3.489 484 HA LYS 62 HA LYS 62 1.273 -4.312 2.117 485 1HB LYS 62 1HB LYS 62 2.851 -4.307 3.902 486 2HB LYS 62 2HB LYS 62 1.509 -3.244 4.256 487 1HG LYS 62 1HG LYS 62 0.557 -4.700 5.951 488 2HG LYS 62 2HG LYS 62 1.606 -5.957 5.726 489 1HD LYS 62 1HD LYS 62 2.611 -3.262 6.686 490 2HD LYS 62 2HD LYS 62 2.326 -4.649 7.652 491 1HE LYS 62 1HE LYS 62 4.482 -4.617 5.467 492 2HE LYS 62 2HE LYS 62 4.708 -4.345 7.190 493 1HZ LYS 62 1HZ LYS 62 3.547 -6.832 6.293 494 2HZ LYS 62 2HZ LYS 62 4.129 -6.526 7.756 495 H VAL 63 H VAL 63 1.692 -5.962 0.981 496 HA VAL 63 HA VAL 63 1.136 -8.783 1.540 497 HB VAL 63 HB VAL 63 1.589 -7.288 -1.126 498 1HG1 VAL 63 1HG1 VAL 63 0.914 -10.225 -0.764 499 2HG1 VAL 63 2HG1 VAL 63 0.744 -9.332 -2.279 500 3HG1 VAL 63 3HG1 VAL 63 2.322 -9.507 -1.485 501 1HG2 VAL 63 1HG2 VAL 63 -0.921 -8.580 0.036 502 2HG2 VAL 63 2HG2 VAL 63 -0.639 -6.795 0.129 503 3HG2 VAL 63 3HG2 VAL 63 -0.912 -7.599 -1.497 504 H ASP 64 H ASP 64 2.462 -10.076 2.287 505 HA ASP 64 HA ASP 64 5.345 -10.013 1.761 506 1HB ASP 64 1HB ASP 64 3.707 -11.550 3.367 507 2HB ASP 64 2HB ASP 64 3.943 -12.742 2.211 508 HD2 ASP 64 HD ASP 64 6.764 -12.704 4.797 509 H VAL 65 H VAL 65 6.205 -9.823 -0.117 510 HA VAL 65 HA VAL 65 5.058 -10.446 -2.642 511 HB VAL 65 HB VAL 65 6.721 -8.750 -2.006 512 1HG1 VAL 65 1HG1 VAL 65 8.530 -10.392 -1.185 513 2HG1 VAL 65 2HG1 VAL 65 8.873 -10.846 -2.816 514 3HG1 VAL 65 3HG1 VAL 65 9.102 -9.124 -2.174 515 1HG2 VAL 65 1HG2 VAL 65 7.194 -8.391 -4.278 516 2HG2 VAL 65 2HG2 VAL 65 7.439 -9.909 -4.842 517 3HG2 VAL 65 3HG2 VAL 65 5.847 -9.505 -4.371 518 H ASP 66 H ASP 66 7.571 -12.285 -0.915 519 HA ASP 66 HA ASP 66 7.800 -14.493 -2.643 520 1HB ASP 66 1HB ASP 66 7.916 -14.956 0.331 521 2HB ASP 66 2HB ASP 66 8.480 -16.057 -0.752 522 HD2 ASP 66 HD ASP 66 11.432 -14.777 -1.455 523 H GLU 67 H GLU 67 5.204 -14.247 -0.300 524 HA GLU 67 HA GLU 67 3.619 -16.518 -1.276 525 1HB GLU 67 1HB GLU 67 2.535 -14.130 0.228 526 2HB GLU 67 2HB GLU 67 1.612 -15.561 -0.053 527 1HG GLU 67 1HG GLU 67 3.391 -16.928 1.156 528 2HG GLU 67 2HG GLU 67 4.278 -15.461 1.589 529 HE2 GLU 67 HE GLU 67 1.505 -16.869 3.935 530 H LEU 68 H LEU 68 3.509 -13.142 -2.721 531 HA LEU 68 HA LEU 68 1.612 -14.136 -4.777 532 1HB LEU 68 1HB LEU 68 1.163 -11.742 -2.749 533 2HB LEU 68 2HB LEU 68 0.214 -12.049 -4.157 534 HG LEU 68 HG LEU 68 0.084 -13.936 -1.763 535 1HD1 LEU 68 1HD1 LEU 68 -1.837 -12.775 -1.053 536 2HD1 LEU 68 2HD1 LEU 68 -0.816 -11.475 -1.370 537 3HD1 LEU 68 3HD1 LEU 68 -2.050 -11.710 -2.448 538 1HD2 LEU 68 1HD2 LEU 68 -1.813 -13.505 -4.061 539 2HD2 LEU 68 2HD2 LEU 68 -0.631 -14.824 -4.059 540 3HD2 LEU 68 3HD2 LEU 68 -1.934 -14.860 -2.878 541 H LYS 69 H LYS 69 3.551 -13.955 -5.738 542 HA LYS 69 HA LYS 69 4.601 -11.285 -6.579 543 1HB LYS 69 1HB LYS 69 6.302 -12.456 -7.736 544 2HB LYS 69 2HB LYS 69 6.291 -12.773 -5.960 545 1HG LYS 69 1HG LYS 69 5.371 -15.061 -6.224 546 2HG LYS 69 2HG LYS 69 5.225 -14.797 -7.934 547 1HD LYS 69 1HD LYS 69 7.293 -15.941 -7.987 548 2HD LYS 69 2HD LYS 69 7.757 -14.265 -8.207 549 1HE LYS 69 1HE LYS 69 8.032 -14.096 -5.619 550 2HE LYS 69 2HE LYS 69 7.868 -15.865 -5.586 551 1HZ LYS 69 1HZ LYS 69 9.780 -14.870 -7.496 552 2HZ LYS 69 2HZ LYS 69 10.301 -14.529 -6.074 553 H ALA 70 H ALA 70 2.735 -14.017 -7.937 554 HA ALA 70 HA ALA 70 2.772 -13.134 -10.649 555 1HB ALA 70 1HB ALA 70 0.588 -14.248 -11.143 556 2HB ALA 70 2HB ALA 70 1.840 -15.271 -10.265 557 3HB ALA 70 3HB ALA 70 0.537 -14.657 -9.335 558 H VAL 71 H VAL 71 0.197 -12.251 -8.389 559 HA VAL 71 HA VAL 71 -0.728 -9.965 -9.867 560 HB VAL 71 HB VAL 71 -2.016 -11.216 -8.151 561 1HG1 VAL 71 1HG1 VAL 71 -1.911 -10.690 -5.834 562 2HG1 VAL 71 2HG1 VAL 71 -0.211 -11.303 -6.351 563 3HG1 VAL 71 3HG1 VAL 71 -0.537 -9.536 -5.845 564 1HG2 VAL 71 1HG2 VAL 71 -3.109 -9.102 -7.091 565 2HG2 VAL 71 2HG2 VAL 71 -1.772 -8.145 -7.832 566 3HG2 VAL 71 3HG2 VAL 71 -2.763 -8.927 -8.971 567 H ALA 72 H ALA 72 1.897 -9.862 -7.076 568 HA ALA 72 HA ALA 72 2.114 -7.107 -6.814 569 1HB ALA 72 1HB ALA 72 4.617 -9.027 -6.835 570 2HB ALA 72 2HB ALA 72 4.583 -7.463 -6.039 571 3HB ALA 72 3HB ALA 72 3.559 -8.886 -5.324 572 H GLU 73 H GLU 73 3.552 -9.216 -8.948 573 HA GLU 73 HA GLU 73 5.417 -7.480 -10.478 574 1HB GLU 73 1HB GLU 73 4.139 -10.199 -11.346 575 2HB GLU 73 2HB GLU 73 5.248 -9.195 -12.358 576 1HG GLU 73 1HG GLU 73 7.079 -9.526 -11.210 577 2HG GLU 73 2HG GLU 73 6.255 -9.749 -9.678 578 HE2 GLU 73 HE GLU 73 7.957 -11.181 -9.615 579 H GLU 74 H GLU 74 2.004 -8.678 -10.996 580 HA GLU 74 HA GLU 74 1.738 -7.413 -13.579 581 1HB GLU 74 1HB GLU 74 -0.270 -8.158 -13.851 582 2HB GLU 74 2HB GLU 74 0.294 -9.304 -12.757 583 1HG GLU 74 1HG GLU 74 -1.894 -8.936 -11.842 584 2HG GLU 74 2HG GLU 74 -1.233 -7.473 -11.076 585 HE2 GLU 74 HE GLU 74 -3.654 -7.773 -11.506 586 H TRP 75 H TRP 75 0.669 -5.990 -10.256 587 HA TRP 75 HA TRP 75 -0.337 -3.592 -11.159 588 1HB TRP 75 1HB TRP 75 1.268 -4.027 -8.590 589 2HB TRP 75 2HB TRP 75 0.357 -2.614 -8.923 590 HD1 TRP 75 HD TRP 75 0.123 -5.300 -6.850 591 HE1 TRP 75 1HE TRP 75 -2.076 -6.654 -6.490 592 HE3 TRP 75 3HE TRP 75 -2.469 -3.468 -10.885 593 HZ2 TRP 75 2HZ TRP 75 -4.511 -6.815 -7.685 594 HZ3 TRP 75 3HZ TRP 75 -4.765 -4.024 -11.090 595 HH2 TRP 75 HH TRP 75 -5.811 -5.737 -9.677 596 H ASN 76 H ASN 76 2.809 -4.533 -10.485 597 HA ASN 76 HA ASN 76 4.344 -4.029 -12.311 598 1HB ASN 76 1HB ASN 76 3.705 -1.440 -12.814 599 2HB ASN 76 2HB ASN 76 4.527 -1.148 -11.312 600 1HD2 ASN 76 1HD2 ASN 76 5.120 -2.856 -14.095 601 2HD2 ASN 76 2HD2 ASN 76 6.878 -2.355 -14.215 602 H VAL 77 H VAL 77 5.366 -5.389 -10.424 603 HA VAL 77 HA VAL 77 7.529 -3.873 -8.834 604 HB VAL 77 HB VAL 77 5.721 -6.317 -7.872 605 1HG1 VAL 77 1HG1 VAL 77 6.850 -5.712 -5.535 606 2HG1 VAL 77 2HG1 VAL 77 8.058 -6.034 -6.816 607 3HG1 VAL 77 3HG1 VAL 77 7.666 -4.312 -6.454 608 1HG2 VAL 77 1HG2 VAL 77 5.379 -3.472 -6.755 609 2HG2 VAL 77 2HG2 VAL 77 4.408 -4.323 -7.966 610 3HG2 VAL 77 3HG2 VAL 77 4.444 -5.110 -6.406 611 H GLU 78 H GLU 78 8.598 -4.351 -10.749 612 HA GLU 78 HA GLU 78 9.995 -6.858 -10.791 613 1HB GLU 78 1HB GLU 78 11.499 -6.183 -12.576 614 2HB GLU 78 2HB GLU 78 9.969 -5.698 -13.103 615 1HG GLU 78 1HG GLU 78 11.726 -3.690 -11.372 616 2HG GLU 78 2HG GLU 78 12.082 -4.004 -12.999 617 HE2 GLU 78 HE GLU 78 11.011 -2.760 -14.273 618 H ALA 79 H ALA 79 9.966 -4.984 -8.324 619 HA ALA 79 HA ALA 79 12.714 -5.312 -7.343 620 1HB ALA 79 1HB ALA 79 12.366 -2.644 -8.678 621 2HB ALA 79 2HB ALA 79 12.701 -2.428 -7.117 622 3HB ALA 79 3HB ALA 79 13.781 -3.608 -8.147 623 H MET 80 H MET 80 12.878 -4.724 -5.370 624 HA MET 80 HA MET 80 10.865 -4.589 -3.106 625 1HB MET 80 1HB MET 80 13.543 -5.607 -3.023 626 2HB MET 80 2HB MET 80 12.611 -5.005 -1.577 627 1HG MET 80 1HG MET 80 12.031 -7.156 -3.511 628 2HG MET 80 2HG MET 80 12.494 -7.178 -1.758 629 1HE MET 80 1HE MET 80 9.442 -7.614 -3.975 630 2HE MET 80 2HE MET 80 8.154 -6.732 -2.960 631 3HE MET 80 3HE MET 80 9.190 -5.723 -4.103 632 HA PRO 81 HA PRO 81 9.688 -2.988 -3.034 633 1HB PRO 81 1HB PRO 81 8.873 -2.188 -0.251 634 2HB PRO 81 2HB PRO 81 10.536 -3.393 -0.574 635 1HG PRO 81 1HG PRO 81 10.361 -0.285 -0.024 636 2HG PRO 81 2HG PRO 81 11.449 -1.381 0.550 637 1HD PRO 81 1HD PRO 81 11.431 0.136 -2.015 638 2HD PRO 81 2HD PRO 81 12.734 -0.847 -1.356 639 H THR 82 H THR 82 8.028 -2.478 -3.263 640 HA THR 82 HA THR 82 7.504 0.102 -4.574 641 HB THR 82 HB THR 82 6.164 -2.437 -5.465 642 HG1 THR 82 1HG THR 82 8.289 -2.504 -5.640 643 1HG2 THR 82 1HG2 THR 82 5.502 -1.046 -7.386 644 2HG2 THR 82 2HG2 THR 82 5.271 0.172 -5.990 645 3HG2 THR 82 3HG2 THR 82 6.695 0.235 -6.975 646 H PHE 83 H PHE 83 5.923 1.221 -3.806 647 HA PHE 83 HA PHE 83 3.318 0.607 -2.365 648 1HB PHE 83 1HB PHE 83 4.757 3.393 -2.291 649 2HB PHE 83 2HB PHE 83 3.248 3.076 -1.686 650 HD1 PHE 83 1HD PHE 83 6.824 3.520 -1.281 651 HD2 PHE 83 2HD PHE 83 3.356 1.720 0.392 652 HE1 PHE 83 1HE PHE 83 7.938 3.545 0.760 653 HE2 PHE 83 2HE PHE 83 4.666 1.578 2.738 654 HZ PHE 83 HZ PHE 83 6.784 2.691 2.914 655 H ILE 84 H ILE 84 1.765 0.374 -3.612 656 HA ILE 84 HA ILE 84 1.153 2.087 -5.786 657 HB ILE 84 HB ILE 84 1.117 -0.912 -5.056 658 1HG1 ILE 84 1HG1 ILE 84 1.360 0.056 -7.886 659 2HG1 ILE 84 2HG1 ILE 84 2.451 0.671 -6.837 660 1HG2 ILE 84 1HG2 ILE 84 -0.993 0.203 -6.972 661 2HG2 ILE 84 2HG2 ILE 84 -0.621 -1.390 -6.918 662 3HG2 ILE 84 3HG2 ILE 84 -1.327 -0.375 -5.413 663 1HD1 ILE 84 1HD1 ILE 84 3.370 -1.589 -5.967 664 2HD1 ILE 84 2HD1 ILE 84 1.949 -2.366 -6.699 665 3HD1 ILE 84 3HD1 ILE 84 3.201 -1.693 -7.827 666 H PHE 85 H PHE 85 -0.614 2.602 -6.397 667 HA PHE 85 HA PHE 85 -2.465 3.823 -4.316 668 1HB PHE 85 1HB PHE 85 -0.755 5.394 -6.298 669 2HB PHE 85 2HB PHE 85 -2.303 5.780 -5.470 670 HD1 PHE 85 1HD PHE 85 1.278 4.442 -4.607 671 HD2 PHE 85 2HD PHE 85 -2.088 6.981 -3.351 672 HE1 PHE 85 1HE PHE 85 2.391 5.224 -2.677 673 HE2 PHE 85 2HE PHE 85 -0.753 7.730 -1.388 674 HZ PHE 85 HZ PHE 85 1.523 6.772 -1.127 675 H LEU 86 H LEU 86 -4.178 2.894 -4.627 676 HA LEU 86 HA LEU 86 -5.438 2.879 -7.372 677 1HB LEU 86 1HB LEU 86 -4.324 0.638 -6.542 678 2HB LEU 86 2HB LEU 86 -5.429 0.663 -5.131 679 HG LEU 86 HG LEU 86 -6.225 -0.952 -6.337 680 1HD1 LEU 86 1HD1 LEU 86 -8.041 0.946 -6.402 681 2HD1 LEU 86 2HD1 LEU 86 -7.823 0.988 -8.149 682 3HD1 LEU 86 3HD1 LEU 86 -8.373 -0.556 -7.403 683 1HD2 LEU 86 1HD2 LEU 86 -5.436 0.568 -8.970 684 2HD2 LEU 86 2HD2 LEU 86 -4.635 -0.762 -8.368 685 3HD2 LEU 86 3HD2 LEU 86 -6.218 -1.079 -9.045 686 H LYS 87 H LYS 87 -6.943 3.931 -7.185 687 HA LYS 87 HA LYS 87 -8.528 4.730 -4.734 688 1HB LYS 87 1HB LYS 87 -7.052 6.363 -5.820 689 2HB LYS 87 2HB LYS 87 -8.046 6.371 -7.200 690 1HG LYS 87 1HG LYS 87 -9.658 7.758 -6.144 691 2HG LYS 87 2HG LYS 87 -9.556 6.848 -4.673 692 1HD LYS 87 1HD LYS 87 -7.232 8.366 -4.302 693 2HD LYS 87 2HD LYS 87 -7.649 9.281 -5.711 694 1HE LYS 87 1HE LYS 87 -9.769 10.101 -4.549 695 2HE LYS 87 2HE LYS 87 -9.676 8.923 -3.202 696 1HZ LYS 87 1HZ LYS 87 -7.551 10.129 -2.630 697 2HZ LYS 87 2HZ LYS 87 -7.791 11.265 -3.774 698 H ASP 88 H ASP 88 -10.887 4.960 -5.104 699 HA ASP 88 HA ASP 88 -12.383 3.768 -6.969 700 1HB ASP 88 1HB ASP 88 -14.245 5.379 -6.796 701 2HB ASP 88 2HB ASP 88 -13.328 4.834 -5.425 702 HD2 ASP 88 HD ASP 88 -12.295 8.167 -4.603 703 H GLY 89 H GLY 89 -10.338 4.571 -8.612 704 1HA GLY 89 1HA GLY 89 -11.715 4.785 -11.199 705 2HA GLY 89 2HA GLY 89 -10.879 6.252 -10.810 706 H LYS 90 H LYS 90 -10.004 2.908 -10.194 707 HA LYS 90 HA LYS 90 -8.499 1.440 -10.732 708 1HB LYS 90 1HB LYS 90 -9.244 1.601 -13.038 709 2HB LYS 90 2HB LYS 90 -8.075 2.785 -13.417 710 1HG LYS 90 1HG LYS 90 -6.168 1.190 -13.346 711 2HG LYS 90 2HG LYS 90 -7.121 0.013 -12.691 712 1HD LYS 90 1HD LYS 90 -7.398 1.361 -15.386 713 2HD LYS 90 2HD LYS 90 -6.469 -0.124 -15.161 714 1HE LYS 90 1HE LYS 90 -8.774 -1.048 -14.189 715 2HE LYS 90 2HE LYS 90 -9.488 0.353 -14.769 716 1HZ LYS 90 1HZ LYS 90 -8.090 -1.708 -16.493 717 2HZ LYS 90 2HZ LYS 90 -8.877 -0.302 -17.078 718 H LEU 91 H LEU 91 -5.822 1.180 -11.373 719 HA LEU 91 HA LEU 91 -4.116 2.385 -9.607 720 1HB LEU 91 1HB LEU 91 -3.540 0.447 -10.747 721 2HB LEU 91 2HB LEU 91 -3.499 1.164 -12.305 722 HG LEU 91 HG LEU 91 -1.609 2.641 -11.682 723 1HD1 LEU 91 1HD1 LEU 91 -0.313 1.490 -9.463 724 2HD1 LEU 91 2HD1 LEU 91 -1.714 2.553 -9.141 725 3HD1 LEU 91 3HD1 LEU 91 -1.849 0.857 -9.045 726 1HD2 LEU 91 1HD2 LEU 91 -0.019 0.758 -11.911 727 2HD2 LEU 91 2HD2 LEU 91 -1.161 -0.597 -11.550 728 3HD2 LEU 91 3HD2 LEU 91 -1.319 0.522 -12.844 729 H VAL 92 H VAL 92 -4.137 4.313 -9.200 730 HA VAL 92 HA VAL 92 -3.699 6.693 -10.978 731 HB VAL 92 HB VAL 92 -3.877 8.063 -8.977 732 1HG1 VAL 92 1HG1 VAL 92 -6.279 7.812 -8.576 733 2HG1 VAL 92 2HG1 VAL 92 -5.941 7.538 -10.337 734 3HG1 VAL 92 3HG1 VAL 92 -6.340 6.246 -9.202 735 1HG2 VAL 92 1HG2 VAL 92 -4.343 5.747 -7.249 736 2HG2 VAL 92 2HG2 VAL 92 -2.912 6.756 -7.222 737 3HG2 VAL 92 3HG2 VAL 92 -4.442 7.452 -6.824 738 H ASP 93 H ASP 93 -1.777 5.145 -8.731 739 HA ASP 93 HA ASP 93 0.593 6.094 -10.143 740 1HB ASP 93 1HB ASP 93 -0.157 8.039 -8.491 741 2HB ASP 93 2HB ASP 93 -0.023 7.116 -7.192 742 HD2 ASP 93 HD ASP 93 1.778 6.901 -6.183 743 H LYS 94 H LYS 94 2.712 5.587 -9.127 744 HA LYS 94 HA LYS 94 3.069 3.195 -7.558 745 1HB LYS 94 1HB LYS 94 4.426 2.019 -9.345 746 2HB LYS 94 2HB LYS 94 2.754 2.072 -9.773 747 1HG LYS 94 1HG LYS 94 4.994 3.836 -10.915 748 2HG LYS 94 2HG LYS 94 4.486 2.340 -11.594 749 1HD LYS 94 1HD LYS 94 2.403 4.745 -11.397 750 2HD LYS 94 2HD LYS 94 3.219 4.266 -12.902 751 1HE LYS 94 1HE LYS 94 1.942 2.049 -12.847 752 2HE LYS 94 2HE LYS 94 1.124 2.797 -11.306 753 1HZ LYS 94 1HZ LYS 94 1.028 4.201 -13.893 754 2HZ LYS 94 2HZ LYS 94 -0.154 3.272 -13.262 755 H THR 95 H THR 95 5.081 3.227 -6.550 756 HA THR 95 HA THR 95 7.468 4.959 -7.124 757 HB THR 95 HB THR 95 5.628 5.771 -4.984 758 HG1 THR 95 1HG THR 95 6.088 6.659 -7.411 759 1HG2 THR 95 1HG2 THR 95 7.792 5.796 -3.745 760 2HG2 THR 95 2HG2 THR 95 8.481 6.518 -5.290 761 3HG2 THR 95 3HG2 THR 95 7.529 7.357 -4.130 762 H VAL 96 H VAL 96 9.258 4.130 -5.688 763 HA VAL 96 HA VAL 96 8.682 1.755 -4.190 764 HB VAL 96 HB VAL 96 8.853 0.557 -6.416 765 1HG1 VAL 96 1HG1 VAL 96 9.368 2.433 -7.930 766 2HG1 VAL 96 2HG1 VAL 96 10.933 2.226 -7.549 767 3HG1 VAL 96 3HG1 VAL 96 10.283 0.967 -8.329 768 1HG2 VAL 96 1HG2 VAL 96 10.754 -0.748 -6.528 769 2HG2 VAL 96 2HG2 VAL 96 11.689 0.453 -5.564 770 3HG2 VAL 96 3HG2 VAL 96 10.386 -0.662 -4.937 771 H GLY 97 H GLY 97 9.825 2.281 -2.590 772 1HA GLY 97 1HA GLY 97 12.555 2.614 -2.295 773 2HA GLY 97 2HA GLY 97 12.118 4.266 -2.374 774 H ALA 98 H ALA 98 12.384 2.006 -0.067 775 HA ALA 98 HA ALA 98 10.615 3.120 1.904 776 1HB ALA 98 1HB ALA 98 11.816 0.764 1.892 777 2HB ALA 98 2HB ALA 98 13.409 1.582 1.830 778 3HB ALA 98 3HB ALA 98 12.455 1.737 3.219 779 H ASP 99 H ASP 99 10.642 4.831 2.801 780 HA ASP 99 HA ASP 99 13.059 6.509 3.410 781 1HB ASP 99 1HB ASP 99 12.546 6.897 0.808 782 2HB ASP 99 2HB ASP 99 11.127 7.771 1.397 783 HD2 ASP 99 HD ASP 99 12.933 10.716 1.587 784 H LYS 100 H LYS 100 12.422 7.187 5.180 785 HA LYS 100 HA LYS 100 9.908 7.314 6.300 786 1HB LYS 100 1HB LYS 100 10.637 8.592 8.271 787 2HB LYS 100 2HB LYS 100 11.563 7.195 7.887 788 1HG LYS 100 1HG LYS 100 13.233 8.837 6.771 789 2HG LYS 100 2HG LYS 100 12.452 10.154 7.386 790 1HD LYS 100 1HD LYS 100 12.749 8.980 9.918 791 2HD LYS 100 2HD LYS 100 13.674 7.800 8.958 792 1HE LYS 100 1HE LYS 100 15.437 9.083 8.379 793 2HE LYS 100 2HE LYS 100 14.552 10.681 8.659 794 1HZ LYS 100 1HZ LYS 100 15.941 10.392 10.388 795 2HZ LYS 100 2HZ LYS 100 14.490 10.027 11.089 796 H ASP 101 H ASP 101 11.268 10.306 5.549 797 HA ASP 101 HA ASP 101 8.762 12.014 5.550 798 1HB ASP 101 1HB ASP 101 9.896 13.747 4.444 799 2HB ASP 101 2HB ASP 101 10.942 13.069 5.602 800 HD2 ASP 101 HD ASP 101 12.189 13.027 1.786 801 H GLY 102 H GLY 102 10.343 10.320 2.829 802 1HA GLY 102 1HA GLY 102 9.004 10.928 0.515 803 2HA GLY 102 2HA GLY 102 9.460 9.243 0.863 804 H LEU 103 H LEU 103 7.763 8.176 2.374 805 HA LEU 103 HA LEU 103 5.142 7.817 1.043 806 1HB LEU 103 1HB LEU 103 6.560 6.099 2.223 807 2HB LEU 103 2HB LEU 103 6.594 7.054 3.653 808 HG LEU 103 HG LEU 103 4.198 6.800 4.046 809 1HD1 LEU 103 1HD1 LEU 103 2.598 5.325 2.628 810 2HD1 LEU 103 2HD1 LEU 103 3.415 6.503 1.578 811 3HD1 LEU 103 3HD1 LEU 103 3.973 4.884 1.656 812 1HD2 LEU 103 1HD2 LEU 103 4.376 4.634 5.072 813 2HD2 LEU 103 2HD2 LEU 103 5.304 3.946 3.684 814 3HD2 LEU 103 3HD2 LEU 103 6.052 5.051 4.691 815 HA PRO 104 HA PRO 104 2.906 10.813 4.283 816 1HB PRO 104 1HB PRO 104 5.173 12.624 5.161 817 2HB PRO 104 2HB PRO 104 3.674 12.085 5.973 818 1HG PRO 104 1HG PRO 104 6.303 11.117 6.323 819 2HG PRO 104 2HG PRO 104 4.795 10.032 6.715 820 1HD PRO 104 1HD PRO 104 6.756 9.860 4.401 821 2HD PRO 104 2HD PRO 104 5.726 8.641 4.937 822 H THR 105 H THR 105 5.460 11.936 2.304 823 HA THR 105 HA THR 105 4.249 14.486 1.348 824 HB THR 105 HB THR 105 6.520 13.162 -0.141 825 HG1 THR 105 1HG THR 105 7.882 14.124 1.350 826 1HG2 THR 105 1HG2 THR 105 7.034 15.661 -0.633 827 2HG2 THR 105 2HG2 THR 105 5.281 15.464 -0.892 828 3HG2 THR 105 3HG2 THR 105 5.925 16.112 0.733 829 H LEU 106 H LEU 106 4.987 11.213 -0.258 830 HA LEU 106 HA LEU 106 3.368 11.423 -2.516 831 1HB LEU 106 1HB LEU 106 5.260 9.790 -1.694 832 2HB LEU 106 2HB LEU 106 4.046 8.941 -0.759 833 HG LEU 106 HG LEU 106 2.693 8.519 -2.840 834 1HD1 LEU 106 1HD1 LEU 106 3.536 8.599 -4.922 835 2HD1 LEU 106 2HD1 LEU 106 3.992 10.194 -4.545 836 3HD1 LEU 106 3HD1 LEU 106 5.161 8.919 -4.562 837 1HD2 LEU 106 1HD2 LEU 106 4.272 6.546 -3.489 838 2HD2 LEU 106 2HD2 LEU 106 5.522 7.299 -2.754 839 3HD2 LEU 106 3HD2 LEU 106 4.119 6.694 -1.868 840 H VAL 107 H VAL 107 2.228 9.994 0.360 841 HA VAL 107 HA VAL 107 -0.524 9.757 -0.463 842 HB VAL 107 HB VAL 107 0.778 9.804 2.127 843 1HG1 VAL 107 1HG1 VAL 107 -1.012 10.913 2.989 844 2HG1 VAL 107 2HG1 VAL 107 -2.295 10.108 2.092 845 3HG1 VAL 107 3HG1 VAL 107 -1.573 9.290 3.476 846 1HG2 VAL 107 1HG2 VAL 107 -0.037 7.251 2.115 847 2HG2 VAL 107 2HG2 VAL 107 -1.110 7.734 0.849 848 3HG2 VAL 107 3HG2 VAL 107 0.544 7.791 0.548 849 H ALA 108 H ALA 108 1.041 12.330 1.396 850 HA ALA 108 HA ALA 108 -1.334 14.000 1.541 851 1HB ALA 108 1HB ALA 108 0.276 15.866 2.116 852 2HB ALA 108 2HB ALA 108 1.071 14.475 2.577 853 3HB ALA 108 3HB ALA 108 1.559 15.010 0.972 854 H LYS 109 H LYS 109 0.956 14.072 -1.186 855 HA LYS 109 HA LYS 109 -0.557 15.979 -2.816 856 1HB LYS 109 1HB LYS 109 1.118 13.397 -3.661 857 2HB LYS 109 2HB LYS 109 0.465 14.586 -4.802 858 1HG LYS 109 1HG LYS 109 1.947 16.258 -4.044 859 2HG LYS 109 2HG LYS 109 2.375 15.324 -2.576 860 1HD LYS 109 1HD LYS 109 3.621 13.711 -4.155 861 2HD LYS 109 2HD LYS 109 2.950 14.622 -5.521 862 1HE LYS 109 1HE LYS 109 4.222 16.649 -4.942 863 2HE LYS 109 2HE LYS 109 4.878 15.739 -3.482 864 1HZ LYS 109 1HZ LYS 109 5.303 15.087 -6.417 865 2HZ LYS 109 2HZ LYS 109 6.500 15.451 -5.345 866 H HIS 110 H HIS 110 -0.893 12.340 -2.504 867 HA HIS 110 HA HIS 110 -2.827 12.081 -4.647 868 1HB HIS 110 1HB HIS 110 -1.255 10.121 -2.933 869 2HB HIS 110 2HB HIS 110 -2.841 9.689 -3.737 870 HD1 HIS 110 1HD HIS 110 -2.832 9.370 -6.399 871 HD2 HIS 110 2HD HIS 110 0.710 11.256 -4.892 872 HE1 HIS 110 1HE HIS 110 -1.290 10.118 -8.263 873 H ALA 111 H ALA 111 -3.096 11.629 -1.217 874 HA ALA 111 HA ALA 111 -5.969 11.327 -0.978 875 1HB ALA 111 1HB ALA 111 -5.424 12.196 1.502 876 2HB ALA 111 2HB ALA 111 -4.556 10.708 0.972 877 3HB ALA 111 3HB ALA 111 -3.818 12.285 0.987 878 H THR 112 H THR 112 -3.961 14.504 -0.947 879 HA THR 112 HA THR 112 -6.281 16.361 -0.640 880 HB THR 112 HB THR 112 -3.520 16.680 -1.991 881 HG1 THR 112 1HG THR 112 -3.402 16.701 0.359 882 1HG2 THR 112 1HG2 THR 112 -4.742 18.292 -3.136 883 2HG2 THR 112 2HG2 THR 112 -5.577 18.920 -1.740 884 3HG2 THR 112 3HG2 THR 112 -3.829 19.107 -1.927 885 H ALA 113 H ALA 113 -4.771 15.184 -3.762 886 HA ALA 113 HA ALA 113 -6.834 15.943 -5.511 887 1HB ALA 113 1HB ALA 113 -4.492 13.993 -5.857 888 2HB ALA 113 2HB ALA 113 -5.520 14.469 -7.128 889 3HB ALA 113 3HB ALA 113 -4.573 15.712 -6.327 890 HXT ALA 113 HO ALA 113 -9.249 13.717 -4.492 Start of MODEL 2 1 1H ALA 1 1H ALA 1 -13.245 9.766 16.646 2 2H ALA 1 2H ALA 1 -13.881 8.466 17.190 3 HA ALA 1 HA ALA 1 -11.010 8.681 16.922 4 1HB ALA 1 1HB ALA 1 -10.997 6.368 17.625 5 2HB ALA 1 2HB ALA 1 -11.568 7.323 18.960 6 3HB ALA 1 3HB ALA 1 -12.751 6.411 18.060 7 H GLU 2 H GLU 2 -10.615 8.702 14.948 8 HA GLU 2 HA GLU 2 -12.022 7.287 12.714 9 1HB GLU 2 1HB GLU 2 -13.298 9.514 13.094 10 2HB GLU 2 2HB GLU 2 -11.867 10.418 12.845 11 1HG GLU 2 1HG GLU 2 -11.743 9.407 10.503 12 2HG GLU 2 2HG GLU 2 -13.298 8.723 10.742 13 HE2 GLU 2 HE GLU 2 -14.981 11.615 10.307 14 H GLU 3 H GLU 3 -10.348 6.256 11.827 15 HA GLU 3 HA GLU 3 -7.931 7.758 11.010 16 1HB GLU 3 1HB GLU 3 -6.340 6.461 12.054 17 2HB GLU 3 2HB GLU 3 -7.323 7.330 13.220 18 1HG GLU 3 1HG GLU 3 -8.640 5.257 13.788 19 2HG GLU 3 2HG GLU 3 -7.819 4.367 12.429 20 HE2 GLU 3 HE GLU 3 -6.173 4.307 16.037 21 H GLY 4 H GLY 4 -6.275 6.429 10.038 22 1HA GLY 4 1HA GLY 4 -7.055 4.551 7.905 23 2HA GLY 4 2HA GLY 4 -5.365 5.024 8.390 24 H GLN 5 H GLN 5 -5.725 2.378 7.837 25 HA GLN 5 HA GLN 5 -5.226 1.035 10.364 26 1HB GLN 5 1HB GLN 5 -7.055 -0.317 10.347 27 2HB GLN 5 2HB GLN 5 -7.778 1.208 9.914 28 1HG GLN 5 1HG GLN 5 -7.821 0.270 7.448 29 2HG GLN 5 2HG GLN 5 -7.251 -1.207 8.101 30 1HE2 GLN 5 1HE2 GLN 5 -8.903 -2.569 9.163 31 2HE2 GLN 5 2HE2 GLN 5 -10.602 -1.958 9.389 32 H VAL 6 H VAL 6 -3.486 0.022 9.821 33 HA VAL 6 HA VAL 6 -2.763 -1.115 7.217 34 HB VAL 6 HB VAL 6 -1.227 -1.418 9.831 35 1HG1 VAL 6 1HG1 VAL 6 0.777 -1.793 8.248 36 2HG1 VAL 6 2HG1 VAL 6 -0.404 -2.993 8.025 37 3HG1 VAL 6 3HG1 VAL 6 -0.354 -1.649 6.902 38 1HG2 VAL 6 1HG2 VAL 6 -0.805 0.749 7.690 39 2HG2 VAL 6 2HG2 VAL 6 -1.315 1.035 9.423 40 3HG2 VAL 6 3HG2 VAL 6 0.226 0.358 9.221 41 H ILE 7 H ILE 7 -3.237 -3.196 6.631 42 HA ILE 7 HA ILE 7 -3.791 -5.448 8.461 43 HB ILE 7 HB ILE 7 -5.860 -4.286 7.520 44 1HG1 ILE 7 1HG1 ILE 7 -6.324 -6.441 8.625 45 2HG1 ILE 7 2HG1 ILE 7 -7.232 -6.187 7.181 46 1HG2 ILE 7 1HG2 ILE 7 -5.271 -3.925 5.292 47 2HG2 ILE 7 2HG2 ILE 7 -5.033 -5.657 4.926 48 3HG2 ILE 7 3HG2 ILE 7 -6.692 -4.878 5.204 49 1HD1 ILE 7 1HD1 ILE 7 -5.472 -7.820 5.923 50 2HD1 ILE 7 2HD1 ILE 7 -4.940 -8.150 7.536 51 3HD1 ILE 7 3HD1 ILE 7 -6.666 -8.444 7.097 52 H ALA 8 H ALA 8 -2.620 -7.112 8.150 53 HA ALA 8 HA ALA 8 -0.698 -7.768 6.111 54 1HB ALA 8 1HB ALA 8 -0.430 -9.974 7.230 55 2HB ALA 8 2HB ALA 8 -0.140 -8.595 8.287 56 3HB ALA 8 3HB ALA 8 -1.703 -9.489 8.443 57 H CYS 9 H CYS 9 -0.820 -8.794 4.429 58 HA CYS 9 HA CYS 9 -3.180 -10.300 3.386 59 1HB CYS 9 1HB CYS 9 -1.437 -8.108 2.106 60 2HB CYS 9 2HB CYS 9 -2.582 -9.099 1.190 61 HG CYS 9 HG CYS 9 -4.518 -8.467 3.111 62 H HIS 10 H HIS 10 -2.886 -11.916 2.118 63 HA HIS 10 HA HIS 10 -0.157 -13.213 1.907 64 1HB HIS 10 1HB HIS 10 -2.460 -14.084 3.826 65 2HB HIS 10 2HB HIS 10 -1.291 -15.304 3.402 66 HD1 HIS 10 1HD HIS 10 1.451 -13.900 3.743 67 HD2 HIS 10 2HD HIS 10 -1.914 -13.167 6.226 68 HE1 HIS 10 1HE HIS 10 2.139 -12.717 5.930 69 H THR 11 H THR 11 -3.226 -13.220 0.580 70 HA THR 11 HA THR 11 -2.961 -15.819 -1.012 71 HB THR 11 HB THR 11 -5.093 -16.697 -0.301 72 HG1 THR 11 1HG THR 11 -6.237 -15.899 1.213 73 1HG2 THR 11 1HG2 THR 11 -3.201 -17.762 1.061 74 2HG2 THR 11 2HG2 THR 11 -3.221 -16.412 2.288 75 3HG2 THR 11 3HG2 THR 11 -4.551 -17.509 2.279 76 H VAL 12 H VAL 12 -5.575 -16.081 -1.714 77 HA VAL 12 HA VAL 12 -6.056 -13.840 -3.531 78 HB VAL 12 HB VAL 12 -6.768 -16.230 -4.182 79 1HG1 VAL 12 1HG1 VAL 12 -9.053 -15.976 -2.360 80 2HG1 VAL 12 2HG1 VAL 12 -8.761 -17.292 -3.387 81 3HG1 VAL 12 3HG1 VAL 12 -7.733 -17.044 -2.005 82 1HG2 VAL 12 1HG2 VAL 12 -7.778 -14.251 -5.366 83 2HG2 VAL 12 2HG2 VAL 12 -8.878 -15.641 -5.376 84 3HG2 VAL 12 3HG2 VAL 12 -9.126 -14.324 -4.296 85 H ASP 13 H ASP 13 -6.659 -14.349 -0.357 86 HA ASP 13 HA ASP 13 -9.163 -12.758 -0.033 87 1HB ASP 13 1HB ASP 13 -6.882 -13.478 1.861 88 2HB ASP 13 2HB ASP 13 -8.308 -12.411 2.306 89 HD2 ASP 13 HD ASP 13 -9.772 -13.266 3.182 90 H THR 14 H THR 14 -5.822 -11.695 -0.086 91 HA THR 14 HA THR 14 -6.574 -8.822 -0.018 92 HB THR 14 HB THR 14 -4.254 -9.726 0.288 93 HG1 THR 14 1HG THR 14 -3.645 -7.604 0.017 94 1HG2 THR 14 1HG2 THR 14 -3.925 -10.816 -1.779 95 2HG2 THR 14 2HG2 THR 14 -4.019 -9.271 -2.640 96 3HG2 THR 14 3HG2 THR 14 -2.695 -9.501 -1.548 97 H TRP 15 H TRP 15 -6.584 -10.989 -2.734 98 HA TRP 15 HA TRP 15 -7.001 -9.103 -4.983 99 1HB TRP 15 1HB TRP 15 -7.398 -12.096 -4.611 100 2HB TRP 15 2HB TRP 15 -8.486 -11.471 -5.729 101 HD1 TRP 15 HD TRP 15 -4.785 -12.378 -5.349 102 HE1 TRP 15 1HE TRP 15 -3.490 -11.910 -7.645 103 HE3 TRP 15 3HE TRP 15 -8.594 -10.036 -7.668 104 HZ2 TRP 15 2HZ TRP 15 -4.329 -11.102 -10.238 105 HZ3 TRP 15 3HZ TRP 15 -8.309 -9.151 -10.022 106 HH2 TRP 15 HH TRP 15 -6.205 -10.047 -11.350 107 H LYS 16 H LYS 16 -9.331 -10.760 -2.766 108 HA LYS 16 HA LYS 16 -11.684 -9.168 -3.551 109 1HB LYS 16 1HB LYS 16 -11.002 -10.674 -1.075 110 2HB LYS 16 2HB LYS 16 -12.363 -9.631 -0.989 111 1HG LYS 16 1HG LYS 16 -13.149 -10.959 -3.028 112 2HG LYS 16 2HG LYS 16 -11.874 -11.997 -2.978 113 1HD LYS 16 1HD LYS 16 -13.757 -11.847 -0.588 114 2HD LYS 16 2HD LYS 16 -13.823 -13.099 -1.929 115 1HE LYS 16 1HE LYS 16 -11.663 -13.899 -1.302 116 2HE LYS 16 2HE LYS 16 -11.335 -12.595 -0.144 117 1HZ LYS 16 1HZ LYS 16 -13.160 -13.298 1.172 118 2HZ LYS 16 2HZ LYS 16 -13.703 -14.357 0.027 119 H GLU 17 H GLU 17 -9.256 -8.510 -0.921 120 HA GLU 17 HA GLU 17 -10.474 -6.176 0.185 121 1HB GLU 17 1HB GLU 17 -7.674 -7.208 0.479 122 2HB GLU 17 2HB GLU 17 -8.189 -5.822 1.309 123 1HG GLU 17 1HG GLU 17 -9.722 -6.992 2.698 124 2HG GLU 17 2HG GLU 17 -9.786 -8.402 1.559 125 HE2 GLU 17 HE GLU 17 -6.827 -7.860 4.291 126 H HIS 18 H HIS 18 -7.641 -6.321 -1.917 127 HA HIS 18 HA HIS 18 -7.183 -3.501 -2.254 128 1HB HIS 18 1HB HIS 18 -5.498 -5.198 -2.423 129 2HB HIS 18 2HB HIS 18 -6.363 -6.043 -3.745 130 HD1 HIS 18 1HD HIS 18 -5.825 -5.010 -6.343 131 HD2 HIS 18 2HD HIS 18 -4.103 -2.981 -3.100 132 HE1 HIS 18 1HE HIS 18 -4.187 -3.155 -7.147 133 H PHE 19 H PHE 19 -8.740 -5.785 -4.291 134 HA PHE 19 HA PHE 19 -9.484 -3.888 -6.403 135 1HB PHE 19 1HB PHE 19 -9.553 -6.620 -6.582 136 2HB PHE 19 2HB PHE 19 -11.141 -6.533 -5.999 137 HD1 PHE 19 1HD PHE 19 -13.029 -5.951 -7.340 138 HD2 PHE 19 2HD PHE 19 -9.043 -5.416 -8.865 139 HE1 PHE 19 1HE PHE 19 -13.929 -5.856 -9.596 140 HE2 PHE 19 2HE PHE 19 -9.900 -5.539 -11.182 141 HZ PHE 19 HZ PHE 19 -12.326 -5.750 -11.593 142 H GLU 20 H GLU 20 -11.694 -5.398 -3.872 143 HA GLU 20 HA GLU 20 -14.132 -4.015 -4.679 144 1HB GLU 20 1HB GLU 20 -13.372 -5.633 -2.246 145 2HB GLU 20 2HB GLU 20 -14.914 -4.872 -2.287 146 1HG GLU 20 1HG GLU 20 -14.064 -6.851 -4.521 147 2HG GLU 20 2HG GLU 20 -14.771 -7.395 -3.109 148 HE2 GLU 20 HE GLU 20 -17.939 -6.101 -3.944 149 H LYS 21 H LYS 21 -11.993 -3.314 -1.830 150 HA LYS 21 HA LYS 21 -13.378 -0.775 -1.074 151 1HB LYS 21 1HB LYS 21 -10.566 -1.696 -0.340 152 2HB LYS 21 2HB LYS 21 -11.178 -0.233 0.124 153 1HG LYS 21 1HG LYS 21 -12.328 -3.073 0.677 154 2HG LYS 21 2HG LYS 21 -11.362 -2.155 1.783 155 1HD LYS 21 1HD LYS 21 -13.122 -0.484 2.276 156 2HD LYS 21 2HD LYS 21 -14.199 -1.070 1.026 157 1HE LYS 21 1HE LYS 21 -14.866 -1.713 3.255 158 2HE LYS 21 2HE LYS 21 -14.680 -3.177 2.332 159 1HZ LYS 21 1HZ LYS 21 -12.954 -2.068 4.448 160 2HZ LYS 21 2HZ LYS 21 -13.721 -3.584 4.431 161 H GLY 22 H GLY 22 -10.266 -1.203 -2.968 162 1HA GLY 22 1HA GLY 22 -9.894 1.294 -3.764 163 2HA GLY 22 2HA GLY 22 -9.477 -0.052 -4.747 164 H LYS 23 H LYS 23 -11.255 -0.748 -6.182 165 HA LYS 23 HA LYS 23 -13.017 1.382 -7.311 166 1HB LYS 23 1HB LYS 23 -11.691 -0.187 -8.748 167 2HB LYS 23 2HB LYS 23 -12.566 -1.471 -8.060 168 1HG LYS 23 1HG LYS 23 -14.743 -0.215 -8.801 169 2HG LYS 23 2HG LYS 23 -13.658 0.875 -9.760 170 1HD LYS 23 1HD LYS 23 -14.139 -2.120 -9.929 171 2HD LYS 23 2HD LYS 23 -14.542 -1.010 -11.197 172 1HE LYS 23 1HE LYS 23 -11.769 -1.953 -10.530 173 2HE LYS 23 2HE LYS 23 -12.786 -2.502 -11.931 174 1HZ LYS 23 1HZ LYS 23 -11.347 -0.003 -11.562 175 2HZ LYS 23 2HZ LYS 23 -11.957 -0.588 -13.047 176 H GLY 24 H GLY 24 -14.430 1.653 -6.110 177 1HA GLY 24 1HA GLY 24 -16.911 0.563 -6.253 178 2HA GLY 24 2HA GLY 24 -16.281 -0.428 -4.976 179 H SER 25 H SER 25 -15.020 1.236 -3.495 180 HA SER 25 HA SER 25 -17.207 2.761 -2.087 181 1HB SER 25 1HB SER 25 -14.632 1.621 -0.769 182 2HB SER 25 2HB SER 25 -15.841 2.679 0.081 183 HG SER 25 HG SER 25 -16.985 0.566 -1.092 184 H GLN 26 H GLN 26 -16.928 4.933 -2.346 185 HA GLN 26 HA GLN 26 -14.763 6.259 -3.564 186 1HB GLN 26 1HB GLN 26 -17.203 7.006 -1.659 187 2HB GLN 26 2HB GLN 26 -16.171 8.294 -2.318 188 1HG GLN 26 1HG GLN 26 -17.846 8.209 -4.054 189 2HG GLN 26 2HG GLN 26 -16.381 7.616 -4.619 190 1HE2 GLN 26 1HE2 GLN 26 -16.605 5.869 -6.055 191 2HE2 GLN 26 2HE2 GLN 26 -17.697 4.512 -5.706 192 H LYS 27 H LYS 27 -13.109 5.277 -2.345 193 HA LYS 27 HA LYS 27 -11.613 7.098 -0.545 194 1HB LYS 27 1HB LYS 27 -11.003 5.301 1.025 195 2HB LYS 27 2HB LYS 27 -12.789 5.573 1.132 196 1HG LYS 27 1HG LYS 27 -12.988 3.405 -0.277 197 2HG LYS 27 2HG LYS 27 -11.398 3.315 -0.554 198 1HD LYS 27 1HD LYS 27 -11.700 1.762 1.138 199 2HD LYS 27 2HD LYS 27 -10.991 3.107 2.063 200 1HE LYS 27 1HE LYS 27 -13.230 3.919 2.870 201 2HE LYS 27 2HE LYS 27 -14.049 2.706 1.976 202 1HZ LYS 27 1HZ LYS 27 -13.006 0.922 3.423 203 2HZ LYS 27 2HZ LYS 27 -12.063 2.062 4.087 204 H LEU 28 H LEU 28 -9.566 6.827 -0.152 205 HA LEU 28 HA LEU 28 -7.880 5.759 -2.467 206 1HB LEU 28 1HB LEU 28 -7.417 8.187 -1.784 207 2HB LEU 28 2HB LEU 28 -7.100 7.683 -0.104 208 HG LEU 28 HG LEU 28 -5.131 6.409 -0.844 209 1HD1 LEU 28 1HD1 LEU 28 -4.169 6.508 -3.106 210 2HD1 LEU 28 2HD1 LEU 28 -5.751 5.934 -3.206 211 3HD1 LEU 28 3HD1 LEU 28 -5.290 7.692 -3.575 212 1HD2 LEU 28 1HD2 LEU 28 -4.885 9.315 -1.836 213 2HD2 LEU 28 2HD2 LEU 28 -5.302 9.036 -0.190 214 3HD2 LEU 28 3HD2 LEU 28 -3.789 8.420 -0.848 215 H ILE 29 H ILE 29 -6.287 4.282 -2.116 216 HA ILE 29 HA ILE 29 -5.908 2.686 0.369 217 HB ILE 29 HB ILE 29 -6.262 0.549 -0.356 218 1HG1 ILE 29 1HG1 ILE 29 -7.353 1.283 -3.075 219 2HG1 ILE 29 2HG1 ILE 29 -5.570 1.030 -2.966 220 1HG2 ILE 29 1HG2 ILE 29 -8.562 0.319 -0.612 221 2HG2 ILE 29 2HG2 ILE 29 -8.344 1.786 0.313 222 3HG2 ILE 29 3HG2 ILE 29 -8.776 1.890 -1.369 223 1HD1 ILE 29 1HD1 ILE 29 -7.771 -1.044 -2.457 224 2HD1 ILE 29 2HD1 ILE 29 -6.451 -1.258 -3.544 225 3HD1 ILE 29 3HD1 ILE 29 -6.172 -1.355 -1.732 226 H VAL 30 H VAL 30 -3.930 1.953 0.529 227 HA VAL 30 HA VAL 30 -1.836 2.395 -1.562 228 HB VAL 30 HB VAL 30 -1.690 3.515 1.184 229 1HG1 VAL 30 1HG1 VAL 30 0.609 3.168 0.314 230 2HG1 VAL 30 2HG1 VAL 30 0.317 3.952 -1.218 231 3HG1 VAL 30 3HG1 VAL 30 0.329 4.856 0.369 232 1HG2 VAL 30 1HG2 VAL 30 -1.928 5.859 0.256 233 2HG2 VAL 30 2HG2 VAL 30 -2.585 5.170 -1.278 234 3HG2 VAL 30 3HG2 VAL 30 -3.352 4.928 0.301 235 H VAL 31 H VAL 31 -0.343 0.917 -1.475 236 HA VAL 31 HA VAL 31 -0.426 -1.293 0.495 237 HB VAL 31 HB VAL 31 -1.986 -1.990 -0.819 238 1HG1 VAL 31 1HG1 VAL 31 -0.345 -1.528 -3.396 239 2HG1 VAL 31 2HG1 VAL 31 -1.877 -2.497 -3.250 240 3HG1 VAL 31 3HG1 VAL 31 -1.933 -0.785 -2.903 241 1HG2 VAL 31 1HG2 VAL 31 -1.202 -4.145 -1.502 242 2HG2 VAL 31 2HG2 VAL 31 0.395 -3.650 -1.811 243 3HG2 VAL 31 3HG2 VAL 31 -0.104 -3.714 -0.138 244 H ASP 32 H ASP 32 1.438 -1.335 1.175 245 HA ASP 32 HA ASP 32 3.889 -1.160 -0.438 246 1HB ASP 32 1HB ASP 32 3.573 -0.637 2.251 247 2HB ASP 32 2HB ASP 32 3.382 -2.421 2.490 248 HD2 ASP 32 HD ASP 32 6.981 -1.142 1.041 249 H PHE 33 H PHE 33 5.126 -3.001 -1.068 250 HA PHE 33 HA PHE 33 4.250 -5.812 -1.361 251 1HB PHE 33 1HB PHE 33 5.268 -4.030 -3.655 252 2HB PHE 33 2HB PHE 33 5.319 -5.796 -3.665 253 HD1 PHE 33 1HD PHE 33 2.840 -7.119 -3.775 254 HD2 PHE 33 2HD PHE 33 3.091 -2.731 -3.720 255 HE1 PHE 33 1HE PHE 33 0.490 -6.921 -4.361 256 HE2 PHE 33 2HE PHE 33 0.835 -2.770 -4.505 257 HZ PHE 33 HZ PHE 33 -0.589 -4.734 -4.296 258 H THR 34 H THR 34 6.115 -6.927 -0.137 259 HA THR 34 HA THR 34 8.783 -5.803 -0.261 260 HB THR 34 HB THR 34 7.927 -4.128 1.518 261 HG1 THR 34 1HG THR 34 9.427 -4.350 2.790 262 1HG2 THR 34 1HG2 THR 34 7.594 -6.471 3.368 263 2HG2 THR 34 2HG2 THR 34 7.063 -4.832 3.615 264 3HG2 THR 34 3HG2 THR 34 6.250 -5.864 2.453 265 H ALA 35 H ALA 35 10.065 -7.302 0.388 266 HA ALA 35 HA ALA 35 9.194 -10.090 1.282 267 1HB ALA 35 1HB ALA 35 11.413 -10.624 0.760 268 2HB ALA 35 2HB ALA 35 11.169 -9.112 -0.450 269 3HB ALA 35 3HB ALA 35 11.996 -8.884 1.178 270 H SER 36 H SER 36 9.853 -10.960 3.212 271 HA SER 36 HA SER 36 9.802 -9.391 5.607 272 1HB SER 36 1HB SER 36 8.744 -11.698 5.309 273 2HB SER 36 2HB SER 36 10.370 -12.379 5.240 274 HG SER 36 HG SER 36 9.056 -11.661 7.475 275 H TRP 37 H TRP 37 12.384 -10.924 3.958 276 HA TRP 37 HA TRP 37 14.567 -9.771 5.510 277 1HB TRP 37 1HB TRP 37 15.961 -10.626 3.740 278 2HB TRP 37 2HB TRP 37 15.115 -11.702 4.573 279 HD1 TRP 37 HD TRP 37 12.929 -12.855 3.191 280 HE1 TRP 37 1HE TRP 37 12.561 -13.543 0.676 281 HE3 TRP 37 3HE TRP 37 16.533 -9.817 1.631 282 HZ2 TRP 37 2HZ TRP 37 13.576 -12.063 -1.915 283 HZ3 TRP 37 3HZ TRP 37 16.840 -9.660 -0.924 284 HH2 TRP 37 HH TRP 37 15.292 -10.647 -2.535 285 H CYS 38 H CYS 38 13.307 -7.653 5.305 286 HA CYS 38 HA CYS 38 14.945 -5.757 3.564 287 1HB CYS 38 1HB CYS 38 12.918 -6.172 2.336 288 2HB CYS 38 2HB CYS 38 11.903 -5.626 3.614 289 HG CYS 38 HG CYS 38 12.320 -3.777 1.665 290 HA PRO 39 HA PRO 39 15.081 -4.093 7.875 291 1HB PRO 39 1HB PRO 39 17.720 -3.040 6.787 292 2HB PRO 39 2HB PRO 39 17.219 -3.711 8.474 293 1HG PRO 39 1HG PRO 39 18.585 -5.117 6.630 294 2HG PRO 39 2HG PRO 39 17.429 -5.903 7.627 295 1HD PRO 39 1HD PRO 39 17.005 -4.897 4.741 296 2HD PRO 39 2HD PRO 39 16.445 -6.557 5.427 297 HA PRO 40 HA PRO 40 15.020 0.376 5.646 298 1HB PRO 40 1HB PRO 40 14.305 -0.443 2.815 299 2HB PRO 40 2HB PRO 40 15.090 1.029 3.478 300 1HG PRO 40 1HG PRO 40 16.548 -1.248 2.485 301 2HG PRO 40 2HG PRO 40 17.207 -0.211 3.789 302 1HD PRO 40 1HD PRO 40 15.759 -2.842 3.916 303 2HD PRO 40 2HD PRO 40 17.182 -2.271 4.801 304 H CYS 41 H CYS 41 12.794 -2.020 4.242 305 HA CYS 41 HA CYS 41 10.425 -0.737 5.123 306 1HB CYS 41 1HB CYS 41 10.753 -3.415 3.745 307 2HB CYS 41 2HB CYS 41 9.180 -2.626 4.053 308 HG CYS 41 HG CYS 41 9.701 -2.228 1.451 309 H LYS 42 H LYS 42 12.262 -3.035 6.907 310 HA LYS 42 HA LYS 42 10.237 -3.715 8.854 311 1HB LYS 42 1HB LYS 42 12.337 -4.925 8.761 312 2HB LYS 42 2HB LYS 42 13.227 -3.598 9.421 313 1HG LYS 42 1HG LYS 42 12.324 -3.630 11.500 314 2HG LYS 42 2HG LYS 42 11.010 -4.704 11.057 315 1HD LYS 42 1HD LYS 42 12.521 -6.654 10.616 316 2HD LYS 42 2HD LYS 42 13.847 -5.517 10.958 317 1HE LYS 42 1HE LYS 42 13.890 -6.699 12.818 318 2HE LYS 42 2HE LYS 42 13.142 -5.178 13.391 319 1HZ LYS 42 1HZ LYS 42 11.157 -6.008 13.587 320 2HZ LYS 42 2HZ LYS 42 11.391 -7.428 12.677 321 H MET 43 H MET 43 12.654 -0.900 8.886 322 HA MET 43 HA MET 43 11.009 0.708 10.743 323 1HB MET 43 1HB MET 43 12.391 2.545 10.187 324 2HB MET 43 2HB MET 43 13.185 1.144 10.667 325 1HG MET 43 1HG MET 43 14.023 0.963 8.057 326 2HG MET 43 2HG MET 43 12.847 2.260 7.695 327 1HE MET 43 1HE MET 43 16.009 4.189 7.038 328 2HE MET 43 2HE MET 43 16.415 2.434 6.940 329 3HE MET 43 3HE MET 43 14.846 3.099 6.288 330 H ILE 44 H ILE 44 10.728 0.562 7.324 331 HA ILE 44 HA ILE 44 8.593 2.536 7.230 332 HB ILE 44 HB ILE 44 10.032 1.275 5.153 333 1HG1 ILE 44 1HG1 ILE 44 8.786 2.822 3.671 334 2HG1 ILE 44 2HG1 ILE 44 7.740 3.226 5.120 335 1HG2 ILE 44 1HG2 ILE 44 7.193 0.728 4.479 336 2HG2 ILE 44 2HG2 ILE 44 8.648 0.237 3.603 337 3HG2 ILE 44 3HG2 ILE 44 8.279 -0.532 5.111 338 1HD1 ILE 44 1HD1 ILE 44 9.720 4.212 6.297 339 2HD1 ILE 44 2HD1 ILE 44 10.784 3.737 5.031 340 3HD1 ILE 44 3HD1 ILE 44 9.422 4.877 4.636 341 H ALA 45 H ALA 45 8.158 -0.810 7.748 342 HA ALA 45 HA ALA 45 5.255 -0.865 7.857 343 1HB ALA 45 1HB ALA 45 7.290 -2.436 9.534 344 2HB ALA 45 2HB ALA 45 5.529 -2.594 9.731 345 3HB ALA 45 3HB ALA 45 6.323 -2.926 8.174 346 HA PRO 46 HA PRO 46 4.929 1.629 12.090 347 1HB PRO 46 1HB PRO 46 7.772 2.603 12.514 348 2HB PRO 46 2HB PRO 46 6.549 2.189 13.652 349 1HG PRO 46 1HG PRO 46 8.461 0.261 13.165 350 2HG PRO 46 2HG PRO 46 6.692 -0.107 13.501 351 1HD PRO 46 1HD PRO 46 8.234 -0.013 10.740 352 2HD PRO 46 2HD PRO 46 7.075 -1.221 11.365 353 H ILE 47 H ILE 47 7.360 3.256 9.794 354 HA ILE 47 HA ILE 47 5.996 5.717 9.791 355 HB ILE 47 HB ILE 47 7.288 4.532 7.274 356 1HG1 ILE 47 1HG1 ILE 47 9.000 4.642 9.072 357 2HG1 ILE 47 2HG1 ILE 47 9.388 5.954 7.992 358 1HG2 ILE 47 1HG2 ILE 47 5.927 6.693 6.816 359 2HG2 ILE 47 2HG2 ILE 47 6.912 7.575 7.898 360 3HG2 ILE 47 3HG2 ILE 47 7.625 6.878 6.452 361 1HD1 ILE 47 1HD1 ILE 47 9.702 6.798 10.129 362 2HD1 ILE 47 2HD1 ILE 47 7.964 7.477 9.727 363 3HD1 ILE 47 3HD1 ILE 47 8.202 6.101 10.775 364 H PHE 48 H PHE 48 5.090 3.086 7.635 365 HA PHE 48 HA PHE 48 2.790 4.215 6.436 366 1HB PHE 48 1HB PHE 48 4.221 2.028 5.953 367 2HB PHE 48 2HB PHE 48 3.392 1.341 7.341 368 HD1 PHE 48 1HD PHE 48 1.675 -0.192 6.507 369 HD2 PHE 48 2HD PHE 48 2.742 3.221 4.111 370 HE1 PHE 48 1HE PHE 48 0.372 -1.131 4.657 371 HE2 PHE 48 2HE PHE 48 1.587 2.270 2.230 372 HZ PHE 48 HZ PHE 48 0.271 0.224 2.449 373 H ALA 49 H ALA 49 2.941 2.485 9.552 374 HA ALA 49 HA ALA 49 0.219 2.905 10.450 375 1HB ALA 49 1HB ALA 49 1.367 1.063 11.491 376 2HB ALA 49 2HB ALA 49 2.619 2.076 12.079 377 3HB ALA 49 3HB ALA 49 1.009 2.116 12.732 378 H GLU 50 H GLU 50 3.005 4.868 11.230 379 HA GLU 50 HA GLU 50 1.519 6.714 12.805 380 1HB GLU 50 1HB GLU 50 3.921 6.311 13.071 381 2HB GLU 50 2HB GLU 50 4.196 6.934 11.373 382 1HG GLU 50 1HG GLU 50 3.558 9.161 12.216 383 2HG GLU 50 2HG GLU 50 3.127 8.581 13.775 384 HE2 GLU 50 HE GLU 50 6.435 8.494 14.868 385 H LEU 51 H LEU 51 2.720 7.173 9.549 386 HA LEU 51 HA LEU 51 1.291 9.325 8.595 387 1HB LEU 51 1HB LEU 51 3.069 8.259 7.534 388 2HB LEU 51 2HB LEU 51 2.305 6.777 7.415 389 HG LEU 51 HG LEU 51 2.624 8.365 5.359 390 1HD1 LEU 51 1HD1 LEU 51 -0.087 6.904 5.855 391 2HD1 LEU 51 2HD1 LEU 51 0.638 7.248 4.187 392 3HD1 LEU 51 3HD1 LEU 51 1.437 6.148 5.394 393 1HD2 LEU 51 1HD2 LEU 51 1.369 10.337 6.467 394 2HD2 LEU 51 2HD2 LEU 51 1.096 9.970 4.743 395 3HD2 LEU 51 3HD2 LEU 51 -0.113 9.401 5.764 396 H ALA 52 H ALA 52 -0.021 5.827 8.682 397 HA ALA 52 HA ALA 52 -2.560 6.248 7.501 398 1HB ALA 52 1HB ALA 52 -1.572 3.987 7.813 399 2HB ALA 52 2HB ALA 52 -1.632 4.140 9.653 400 3HB ALA 52 3HB ALA 52 -3.169 4.050 8.648 401 H LYS 53 H LYS 53 -1.501 6.698 10.891 402 HA LYS 53 HA LYS 53 -4.071 7.186 12.049 403 1HB LYS 53 1HB LYS 53 -1.367 7.900 13.098 404 2HB LYS 53 2HB LYS 53 -2.800 8.335 13.990 405 1HG LYS 53 1HG LYS 53 -3.416 5.828 14.152 406 2HG LYS 53 2HG LYS 53 -1.921 5.525 13.422 407 1HD LYS 53 1HD LYS 53 -2.286 6.971 16.001 408 2HD LYS 53 2HD LYS 53 -1.726 5.224 15.928 409 1HE LYS 53 1HE LYS 53 0.470 5.928 14.742 410 2HE LYS 53 2HE LYS 53 0.030 7.572 14.899 411 1HZ LYS 53 1HZ LYS 53 -0.085 7.415 17.357 412 2HZ LYS 53 2HZ LYS 53 0.136 5.814 17.343 413 H LYS 54 H LYS 54 -1.614 9.260 10.370 414 HA LYS 54 HA LYS 54 -2.433 11.989 11.054 415 1HB LYS 54 1HB LYS 54 0.000 11.269 10.703 416 2HB LYS 54 2HB LYS 54 -0.394 10.803 9.020 417 1HG LYS 54 1HG LYS 54 -0.998 13.310 8.661 418 2HG LYS 54 2HG LYS 54 -0.398 13.658 10.305 419 1HD LYS 54 1HD LYS 54 1.068 12.170 8.056 420 2HD LYS 54 2HD LYS 54 1.338 13.943 8.367 421 1HE LYS 54 1HE LYS 54 2.647 13.556 10.376 422 2HE LYS 54 2HE LYS 54 1.992 11.948 10.656 423 1HZ LYS 54 1HZ LYS 54 4.301 12.226 9.641 424 2HZ LYS 54 2HZ LYS 54 3.431 10.948 9.256 425 H PHE 55 H PHE 55 -3.366 9.507 8.746 426 HA PHE 55 HA PHE 55 -4.806 11.461 7.017 427 1HB PHE 55 1HB PHE 55 -2.648 9.374 6.422 428 2HB PHE 55 2HB PHE 55 -3.897 9.490 5.380 429 HD1 PHE 55 1HD PHE 55 -0.880 10.959 6.650 430 HD2 PHE 55 2HD PHE 55 -4.340 11.813 4.127 431 HE1 PHE 55 1HE PHE 55 0.114 13.014 5.933 432 HE2 PHE 55 2HE PHE 55 -3.156 14.005 3.452 433 HZ PHE 55 HZ PHE 55 -0.976 14.502 4.366 434 HA PRO 56 HA PRO 56 -7.929 8.040 8.202 435 1HB PRO 56 1HB PRO 56 -10.239 9.415 8.757 436 2HB PRO 56 2HB PRO 56 -8.783 9.521 9.706 437 1HG PRO 56 1HG PRO 56 -9.447 11.486 7.446 438 2HG PRO 56 2HG PRO 56 -9.048 11.796 9.146 439 1HD PRO 56 1HD PRO 56 -7.306 11.843 7.096 440 2HD PRO 56 2HD PRO 56 -6.757 11.605 8.866 441 H ASN 57 H ASN 57 -8.100 9.499 5.088 442 HA ASN 57 HA ASN 57 -10.677 8.527 4.317 443 1HB ASN 57 1HB ASN 57 -10.571 9.759 2.316 444 2HB ASN 57 2HB ASN 57 -10.308 10.838 3.766 445 1HD2 ASN 57 1HD2 ASN 57 -8.597 12.037 3.710 446 2HD2 ASN 57 2HD2 ASN 57 -7.021 11.842 2.753 447 H VAL 58 H VAL 58 -8.028 7.034 4.870 448 HA VAL 58 HA VAL 58 -7.820 5.583 2.243 449 HB VAL 58 HB VAL 58 -6.619 7.551 2.152 450 1HG1 VAL 58 1HG1 VAL 58 -5.322 6.993 4.918 451 2HG1 VAL 58 2HG1 VAL 58 -4.542 8.010 3.742 452 3HG1 VAL 58 3HG1 VAL 58 -6.151 8.452 4.303 453 1HG2 VAL 58 1HG2 VAL 58 -4.368 6.768 1.615 454 2HG2 VAL 58 2HG2 VAL 58 -4.496 5.404 2.692 455 3HG2 VAL 58 3HG2 VAL 58 -5.581 5.431 1.319 456 H THR 59 H THR 59 -7.530 3.552 2.389 457 HA THR 59 HA THR 59 -7.176 1.947 4.814 458 HB THR 59 HB THR 59 -7.933 1.031 2.064 459 HG1 THR 59 1HG THR 59 -9.851 0.814 2.741 460 1HG2 THR 59 1HG2 THR 59 -8.389 -1.210 3.019 461 2HG2 THR 59 2HG2 THR 59 -6.712 -0.683 3.083 462 3HG2 THR 59 3HG2 THR 59 -7.777 -0.597 4.636 463 H PHE 60 H PHE 60 -5.456 0.613 4.975 464 HA PHE 60 HA PHE 60 -3.118 0.717 3.187 465 1HB PHE 60 1HB PHE 60 -3.096 0.936 6.270 466 2HB PHE 60 2HB PHE 60 -1.636 0.759 5.346 467 HD1 PHE 60 1HD PHE 60 -1.023 2.634 3.832 468 HD2 PHE 60 2HD PHE 60 -4.474 3.087 6.266 469 HE1 PHE 60 1HE PHE 60 -0.835 5.223 3.596 470 HE2 PHE 60 2HE PHE 60 -4.299 5.457 6.087 471 HZ PHE 60 HZ PHE 60 -2.448 6.598 4.971 472 H LEU 61 H LEU 61 -2.380 -0.997 2.792 473 HA LEU 61 HA LEU 61 -2.367 -3.359 4.555 474 1HB LEU 61 1HB LEU 61 -3.735 -4.691 3.172 475 2HB LEU 61 2HB LEU 61 -4.649 -3.228 3.066 476 HG LEU 61 HG LEU 61 -3.153 -2.918 0.798 477 1HD1 LEU 61 1HD1 LEU 61 -3.524 -5.831 0.909 478 2HD1 LEU 61 2HD1 LEU 61 -2.987 -4.964 -0.527 479 3HD1 LEU 61 3HD1 LEU 61 -2.005 -5.218 1.097 480 1HD2 LEU 61 1HD2 LEU 61 -5.727 -2.909 0.844 481 2HD2 LEU 61 2HD2 LEU 61 -5.281 -3.838 -0.525 482 3HD2 LEU 61 3HD2 LEU 61 -5.724 -4.661 0.981 483 H LYS 62 H LYS 62 -1.293 -5.210 3.620 484 HA LYS 62 HA LYS 62 1.426 -4.478 2.493 485 1HB LYS 62 1HB LYS 62 2.835 -4.727 4.224 486 2HB LYS 62 2HB LYS 62 1.648 -3.552 4.591 487 1HG LYS 62 1HG LYS 62 0.545 -5.180 6.258 488 2HG LYS 62 2HG LYS 62 1.780 -6.446 5.670 489 1HD LYS 62 1HD LYS 62 3.646 -5.420 6.634 490 2HD LYS 62 2HD LYS 62 2.743 -3.763 6.770 491 1HE LYS 62 1HE LYS 62 1.207 -4.961 8.430 492 2HE LYS 62 2HE LYS 62 2.169 -6.292 8.410 493 1HZ LYS 62 1HZ LYS 62 4.156 -4.927 9.019 494 2HZ LYS 62 2HZ LYS 62 2.985 -4.714 10.249 495 H VAL 63 H VAL 63 1.727 -5.839 1.211 496 HA VAL 63 HA VAL 63 0.827 -8.746 1.285 497 HB VAL 63 HB VAL 63 1.813 -6.924 -1.088 498 1HG1 VAL 63 1HG1 VAL 63 1.454 -9.007 -2.501 499 2HG1 VAL 63 2HG1 VAL 63 2.483 -9.452 -1.329 500 3HG1 VAL 63 3HG1 VAL 63 0.724 -9.881 -1.200 501 1HG2 VAL 63 1HG2 VAL 63 -1.044 -7.963 -0.482 502 2HG2 VAL 63 2HG2 VAL 63 -0.371 -6.267 -0.340 503 3HG2 VAL 63 3HG2 VAL 63 -0.407 -7.068 -1.871 504 H ASP 64 H ASP 64 2.028 -10.082 1.815 505 HA ASP 64 HA ASP 64 4.973 -10.048 2.150 506 1HB ASP 64 1HB ASP 64 3.624 -11.169 3.899 507 2HB ASP 64 2HB ASP 64 3.176 -12.375 2.541 508 HD2 ASP 64 HD ASP 64 6.995 -12.340 3.629 509 H VAL 65 H VAL 65 5.432 -9.603 0.089 510 HA VAL 65 HA VAL 65 4.843 -10.974 -2.360 511 HB VAL 65 HB VAL 65 6.710 -9.041 -1.677 512 1HG1 VAL 65 1HG1 VAL 65 9.296 -9.755 -1.892 513 2HG1 VAL 65 2HG1 VAL 65 8.433 -10.943 -0.874 514 3HG1 VAL 65 3HG1 VAL 65 8.617 -11.384 -2.539 515 1HG2 VAL 65 1HG2 VAL 65 7.627 -9.211 -4.027 516 2HG2 VAL 65 2HG2 VAL 65 6.910 -10.783 -4.262 517 3HG2 VAL 65 3HG2 VAL 65 5.822 -9.355 -3.971 518 H ASP 66 H ASP 66 6.819 -12.445 0.092 519 HA ASP 66 HA ASP 66 7.895 -14.686 -1.548 520 1HB ASP 66 1HB ASP 66 7.589 -14.505 1.509 521 2HB ASP 66 2HB ASP 66 8.219 -15.885 0.746 522 HD2 ASP 66 HD ASP 66 10.466 -12.490 0.670 523 H GLU 67 H GLU 67 4.980 -14.247 0.021 524 HA GLU 67 HA GLU 67 3.546 -16.809 -0.774 525 1HB GLU 67 1HB GLU 67 2.646 -14.531 0.879 526 2HB GLU 67 2HB GLU 67 1.419 -15.373 0.065 527 1HG GLU 67 1HG GLU 67 1.428 -16.240 2.148 528 2HG GLU 67 2HG GLU 67 2.147 -17.590 1.252 529 HE2 GLU 67 HE GLU 67 5.080 -17.707 2.682 530 H LEU 68 H LEU 68 3.796 -13.521 -2.047 531 HA LEU 68 HA LEU 68 1.959 -14.172 -4.361 532 1HB LEU 68 1HB LEU 68 1.715 -11.886 -2.371 533 2HB LEU 68 2HB LEU 68 0.888 -11.687 -3.813 534 HG LEU 68 HG LEU 68 0.217 -13.833 -1.812 535 1HD1 LEU 68 1HD1 LEU 68 -1.945 -12.616 -1.416 536 2HD1 LEU 68 2HD1 LEU 68 -0.576 -11.646 -1.081 537 3HD1 LEU 68 3HD1 LEU 68 -1.518 -11.390 -2.578 538 1HD2 LEU 68 1HD2 LEU 68 -1.430 -14.723 -3.097 539 2HD2 LEU 68 2HD2 LEU 68 -1.699 -13.254 -4.070 540 3HD2 LEU 68 3HD2 LEU 68 -0.300 -14.457 -4.294 541 H LYS 69 H LYS 69 4.201 -14.154 -4.977 542 HA LYS 69 HA LYS 69 5.617 -11.825 -5.999 543 1HB LYS 69 1HB LYS 69 7.271 -13.113 -6.883 544 2HB LYS 69 2HB LYS 69 6.981 -13.556 -5.316 545 1HG LYS 69 1HG LYS 69 5.945 -15.661 -5.937 546 2HG LYS 69 2HG LYS 69 5.824 -15.155 -7.606 547 1HD LYS 69 1HD LYS 69 8.246 -15.408 -7.918 548 2HD LYS 69 2HD LYS 69 8.573 -15.390 -6.173 549 1HE LYS 69 1HE LYS 69 7.286 -17.764 -6.071 550 2HE LYS 69 2HE LYS 69 7.382 -17.647 -7.812 551 1HZ LYS 69 1HZ LYS 69 9.909 -17.375 -7.434 552 2HZ LYS 69 2HZ LYS 69 9.616 -17.825 -5.958 553 H ALA 70 H ALA 70 3.676 -14.309 -7.506 554 HA ALA 70 HA ALA 70 3.821 -13.397 -10.348 555 1HB ALA 70 1HB ALA 70 2.052 -14.599 -10.967 556 2HB ALA 70 2HB ALA 70 2.973 -15.678 -10.032 557 3HB ALA 70 3HB ALA 70 1.503 -15.120 -9.178 558 H VAL 71 H VAL 71 1.021 -12.830 -8.307 559 HA VAL 71 HA VAL 71 -0.040 -10.454 -9.850 560 HB VAL 71 HB VAL 71 -1.507 -11.826 -8.318 561 1HG1 VAL 71 1HG1 VAL 71 -1.277 -11.669 -5.783 562 2HG1 VAL 71 2HG1 VAL 71 0.449 -11.916 -6.361 563 3HG1 VAL 71 3HG1 VAL 71 -0.296 -10.309 -5.985 564 1HG2 VAL 71 1HG2 VAL 71 -2.675 -10.007 -7.256 565 2HG2 VAL 71 2HG2 VAL 71 -1.349 -9.121 -7.640 566 3HG2 VAL 71 3HG2 VAL 71 -2.331 -9.527 -8.972 567 H ALA 72 H ALA 72 2.042 -10.461 -6.876 568 HA ALA 72 HA ALA 72 2.275 -7.592 -6.624 569 1HB ALA 72 1HB ALA 72 4.420 -7.503 -5.903 570 2HB ALA 72 2HB ALA 72 3.669 -8.799 -5.019 571 3HB ALA 72 3HB ALA 72 4.910 -9.211 -6.203 572 H GLU 73 H GLU 73 4.274 -9.632 -8.596 573 HA GLU 73 HA GLU 73 5.541 -7.733 -10.137 574 1HB GLU 73 1HB GLU 73 4.940 -10.525 -11.252 575 2HB GLU 73 2HB GLU 73 5.905 -9.200 -12.029 576 1HG GLU 73 1HG GLU 73 7.612 -9.094 -10.429 577 2HG GLU 73 2HG GLU 73 6.898 -10.240 -9.387 578 HE2 GLU 73 HE GLU 73 9.414 -11.653 -11.922 579 H GLU 74 H GLU 74 2.369 -8.907 -10.777 580 HA GLU 74 HA GLU 74 1.771 -7.740 -13.382 581 1HB GLU 74 1HB GLU 74 0.187 -9.073 -13.514 582 2HB GLU 74 2HB GLU 74 0.387 -9.847 -11.978 583 1HG GLU 74 1HG GLU 74 -0.955 -8.104 -10.758 584 2HG GLU 74 2HG GLU 74 -1.328 -7.455 -12.330 585 HE2 GLU 74 HE GLU 74 -1.096 -10.675 -12.748 586 H TRP 75 H TRP 75 1.025 -6.423 -10.190 587 HA TRP 75 HA TRP 75 -0.371 -4.029 -11.140 588 1HB TRP 75 1HB TRP 75 1.130 -4.472 -8.574 589 2HB TRP 75 2HB TRP 75 -0.080 -3.169 -8.776 590 HD1 TRP 75 HD TRP 75 0.514 -6.326 -7.277 591 HE1 TRP 75 1HE TRP 75 -1.565 -7.819 -6.852 592 HE3 TRP 75 3HE TRP 75 -2.735 -3.618 -10.108 593 HZ2 TRP 75 2HZ TRP 75 -4.100 -7.778 -7.772 594 HZ3 TRP 75 3HZ TRP 75 -5.091 -4.439 -10.243 595 HH2 TRP 75 HH TRP 75 -5.828 -6.376 -9.166 596 H ASN 76 H ASN 76 3.061 -4.706 -9.967 597 HA ASN 76 HA ASN 76 4.361 -4.464 -12.067 598 1HB ASN 76 1HB ASN 76 3.563 -2.570 -13.209 599 2HB ASN 76 2HB ASN 76 4.175 -1.530 -11.887 600 1HD2 ASN 76 1HD2 ASN 76 6.527 -1.737 -11.403 601 2HD2 ASN 76 2HD2 ASN 76 7.696 -1.660 -12.732 602 H VAL 77 H VAL 77 5.402 -5.730 -10.381 603 HA VAL 77 HA VAL 77 7.433 -4.337 -8.655 604 HB VAL 77 HB VAL 77 5.809 -6.586 -7.358 605 1HG1 VAL 77 1HG1 VAL 77 8.133 -5.877 -6.630 606 2HG1 VAL 77 2HG1 VAL 77 7.305 -4.431 -6.008 607 3HG1 VAL 77 3HG1 VAL 77 6.771 -6.020 -5.500 608 1HG2 VAL 77 1HG2 VAL 77 4.530 -5.032 -6.015 609 2HG2 VAL 77 2HG2 VAL 77 5.208 -3.665 -6.968 610 3HG2 VAL 77 3HG2 VAL 77 4.256 -4.755 -7.676 611 H GLU 78 H GLU 78 8.602 -5.261 -10.753 612 HA GLU 78 HA GLU 78 10.015 -7.660 -9.921 613 1HB GLU 78 1HB GLU 78 11.289 -7.154 -11.783 614 2HB GLU 78 2HB GLU 78 9.749 -6.896 -12.392 615 1HG GLU 78 1HG GLU 78 11.069 -5.246 -13.361 616 2HG GLU 78 2HG GLU 78 10.018 -4.420 -12.217 617 HE2 GLU 78 HE GLU 78 11.345 -2.569 -12.386 618 H ALA 79 H ALA 79 9.711 -4.933 -8.022 619 HA ALA 79 HA ALA 79 12.459 -5.128 -7.006 620 1HB ALA 79 1HB ALA 79 12.989 -2.785 -7.174 621 2HB ALA 79 2HB ALA 79 12.427 -3.230 -8.686 622 3HB ALA 79 3HB ALA 79 11.446 -2.291 -7.646 623 H MET 80 H MET 80 12.472 -5.160 -5.048 624 HA MET 80 HA MET 80 10.486 -4.245 -2.982 625 1HB MET 80 1HB MET 80 13.280 -5.676 -2.937 626 2HB MET 80 2HB MET 80 12.546 -5.111 -1.495 627 1HG MET 80 1HG MET 80 11.930 -7.343 -1.809 628 2HG MET 80 2HG MET 80 10.478 -6.283 -1.643 629 1HE MET 80 1HE MET 80 8.855 -5.279 -3.696 630 2HE MET 80 2HE MET 80 8.243 -6.849 -4.400 631 3HE MET 80 3HE MET 80 8.373 -6.620 -2.583 632 HA PRO 81 HA PRO 81 9.518 -2.740 -3.246 633 1HB PRO 81 1HB PRO 81 9.119 -2.050 -0.583 634 2HB PRO 81 2HB PRO 81 10.041 -3.286 -0.964 635 1HG PRO 81 2HG PRO 81 11.033 -0.602 0.041 636 2HG PRO 81 1HG PRO 81 12.177 -2.189 -0.316 637 1HD PRO 81 1HD PRO 81 11.647 0.289 -2.062 638 2HD PRO 81 2HD PRO 81 12.994 -0.894 -1.968 639 H THR 82 H THR 82 7.667 -2.192 -2.934 640 HA THR 82 HA THR 82 7.249 0.515 -4.297 641 HB THR 82 HB THR 82 6.119 -2.336 -4.976 642 HG1 THR 82 1HG THR 82 7.875 -2.629 -6.126 643 1HG2 THR 82 1HG2 THR 82 6.491 0.215 -6.907 644 2HG2 THR 82 2HG2 THR 82 5.875 -1.320 -7.317 645 3HG2 THR 82 3HG2 THR 82 4.974 -0.339 -6.197 646 H PHE 83 H PHE 83 5.693 1.407 -4.080 647 HA PHE 83 HA PHE 83 3.359 1.076 -2.115 648 1HB PHE 83 1HB PHE 83 5.077 3.503 -2.680 649 2HB PHE 83 2HB PHE 83 3.593 3.582 -1.654 650 HD1 PHE 83 1HD PHE 83 7.071 2.632 -1.754 651 HD2 PHE 83 2HD PHE 83 3.433 2.550 0.396 652 HE1 PHE 83 1HE PHE 83 8.278 2.016 0.166 653 HE2 PHE 83 2HE PHE 83 4.584 1.480 2.529 654 HZ PHE 83 HZ PHE 83 6.941 1.316 2.431 655 H ILE 84 H ILE 84 1.797 0.905 -3.291 656 HA ILE 84 HA ILE 84 1.407 2.224 -5.993 657 HB ILE 84 HB ILE 84 1.247 -0.709 -5.144 658 1HG1 ILE 84 1HG1 ILE 84 1.646 0.531 -7.979 659 2HG1 ILE 84 2HG1 ILE 84 2.864 0.527 -6.648 660 1HG2 ILE 84 1HG2 ILE 84 -0.618 0.067 -7.355 661 2HG2 ILE 84 2HG2 ILE 84 -0.137 -1.481 -6.685 662 3HG2 ILE 84 3HG2 ILE 84 -1.160 -0.503 -5.754 663 1HD1 ILE 84 1HD1 ILE 84 2.643 -1.955 -6.428 664 2HD1 ILE 84 2HD1 ILE 84 1.825 -1.988 -7.916 665 3HD1 ILE 84 3HD1 ILE 84 3.522 -1.348 -7.788 666 H PHE 85 H PHE 85 -0.785 2.731 -6.613 667 HA PHE 85 HA PHE 85 -2.231 3.906 -4.259 668 1HB PHE 85 1HB PHE 85 -1.117 5.390 -6.710 669 2HB PHE 85 2HB PHE 85 -2.256 5.997 -5.464 670 HD1 PHE 85 1HD PHE 85 1.426 4.712 -5.538 671 HD2 PHE 85 2HD PHE 85 -1.823 6.570 -3.345 672 HE1 PHE 85 1HE PHE 85 2.930 5.247 -3.828 673 HE2 PHE 85 2HE PHE 85 -0.292 7.158 -1.527 674 HZ PHE 85 HZ PHE 85 2.100 6.584 -1.809 675 H LEU 86 H LEU 86 -4.353 3.385 -4.595 676 HA LEU 86 HA LEU 86 -5.546 2.881 -7.325 677 1HB LEU 86 1HB LEU 86 -4.413 0.803 -5.900 678 2HB LEU 86 2HB LEU 86 -5.831 0.859 -5.026 679 HG LEU 86 HG LEU 86 -6.294 -0.715 -6.313 680 1HD1 LEU 86 1HD1 LEU 86 -8.217 -0.205 -7.830 681 2HD1 LEU 86 2HD1 LEU 86 -8.363 0.965 -6.539 682 3HD1 LEU 86 3HD1 LEU 86 -7.748 1.455 -8.187 683 1HD2 LEU 86 1HD2 LEU 86 -5.620 -0.931 -8.866 684 2HD2 LEU 86 2HD2 LEU 86 -5.402 0.847 -8.837 685 3HD2 LEU 86 3HD2 LEU 86 -4.235 -0.173 -8.020 686 H LYS 87 H LYS 87 -6.998 4.199 -6.989 687 HA LYS 87 HA LYS 87 -8.803 4.727 -4.675 688 1HB LYS 87 1HB LYS 87 -7.143 6.233 -6.387 689 2HB LYS 87 2HB LYS 87 -8.554 6.315 -7.273 690 1HG LYS 87 1HG LYS 87 -9.788 7.327 -5.303 691 2HG LYS 87 2HG LYS 87 -8.428 6.988 -4.284 692 1HD LYS 87 1HD LYS 87 -6.868 8.636 -5.444 693 2HD LYS 87 2HD LYS 87 -8.264 9.210 -6.458 694 1HE LYS 87 1HE LYS 87 -9.446 9.510 -4.126 695 2HE LYS 87 2HE LYS 87 -7.854 9.477 -3.401 696 1HZ LYS 87 1HZ LYS 87 -7.215 11.417 -4.446 697 2HZ LYS 87 2HZ LYS 87 -8.565 11.576 -5.422 698 H ASP 88 H ASP 88 -11.162 4.878 -5.100 699 HA ASP 88 HA ASP 88 -12.621 3.664 -7.133 700 1HB ASP 88 1HB ASP 88 -14.455 4.959 -6.510 701 2HB ASP 88 2HB ASP 88 -13.472 4.880 -5.115 702 HD2 ASP 88 HD ASP 88 -12.446 8.379 -5.629 703 H GLY 89 H GLY 89 -10.832 3.812 -8.742 704 1HA GLY 89 1HA GLY 89 -12.141 4.400 -11.237 705 2HA GLY 89 2HA GLY 89 -11.070 5.801 -10.927 706 H LYS 90 H LYS 90 -10.024 2.662 -10.038 707 HA LYS 90 HA LYS 90 -8.329 1.186 -10.532 708 1HB LYS 90 1HB LYS 90 -9.536 1.452 -13.027 709 2HB LYS 90 2HB LYS 90 -8.183 2.380 -13.306 710 1HG LYS 90 1HG LYS 90 -7.763 0.199 -14.243 711 2HG LYS 90 2HG LYS 90 -6.627 0.176 -12.803 712 1HD LYS 90 1HD LYS 90 -9.339 -1.134 -13.044 713 2HD LYS 90 2HD LYS 90 -7.842 -1.886 -13.283 714 1HE LYS 90 1HE LYS 90 -7.164 -1.178 -10.935 715 2HE LYS 90 2HE LYS 90 -8.942 -0.836 -10.693 716 1HZ LYS 90 1HZ LYS 90 -7.878 -3.450 -11.656 717 2HZ LYS 90 2HZ LYS 90 -9.385 -3.199 -11.080 718 H LEU 91 H LEU 91 -5.939 1.483 -11.904 719 HA LEU 91 HA LEU 91 -4.356 2.543 -9.749 720 1HB LEU 91 1HB LEU 91 -3.614 0.708 -11.057 721 2HB LEU 91 2HB LEU 91 -3.286 1.738 -12.563 722 HG LEU 91 HG LEU 91 -1.789 3.082 -10.961 723 1HD1 LEU 91 1HD1 LEU 91 -2.456 1.286 -8.933 724 2HD1 LEU 91 2HD1 LEU 91 -1.075 0.346 -9.641 725 3HD1 LEU 91 3HD1 LEU 91 -0.880 1.999 -8.963 726 1HD2 LEU 91 1HD2 LEU 91 0.259 1.742 -11.572 727 2HD2 LEU 91 2HD2 LEU 91 -0.755 0.354 -12.055 728 3HD2 LEU 91 3HD2 LEU 91 -0.746 1.997 -12.932 729 H VAL 92 H VAL 92 -4.515 4.586 -9.354 730 HA VAL 92 HA VAL 92 -4.077 6.738 -11.213 731 HB VAL 92 HB VAL 92 -4.230 8.222 -9.183 732 1HG1 VAL 92 1HG1 VAL 92 -6.517 6.186 -9.316 733 2HG1 VAL 92 2HG1 VAL 92 -6.517 7.786 -8.699 734 3HG1 VAL 92 3HG1 VAL 92 -6.291 7.500 -10.363 735 1HG2 VAL 92 1HG2 VAL 92 -4.927 5.964 -7.392 736 2HG2 VAL 92 2HG2 VAL 92 -3.303 6.721 -7.361 737 3HG2 VAL 92 3HG2 VAL 92 -4.670 7.728 -7.035 738 H ASP 93 H ASP 93 -1.668 5.135 -8.918 739 HA ASP 93 HA ASP 93 0.588 6.456 -10.392 740 1HB ASP 93 1HB ASP 93 -0.307 8.367 -8.730 741 2HB ASP 93 2HB ASP 93 0.502 7.501 -7.512 742 HD2 ASP 93 HD ASP 93 0.500 9.067 -10.603 743 H LYS 94 H LYS 94 2.959 5.783 -9.293 744 HA LYS 94 HA LYS 94 2.960 3.753 -7.522 745 1HB LYS 94 1HB LYS 94 4.012 1.943 -8.877 746 2HB LYS 94 2HB LYS 94 2.343 2.274 -9.208 747 1HG LYS 94 1HG LYS 94 3.021 3.492 -11.356 748 2HG LYS 94 2HG LYS 94 4.810 3.427 -10.841 749 1HD LYS 94 1HD LYS 94 4.787 0.857 -11.019 750 2HD LYS 94 2HD LYS 94 3.081 0.959 -11.193 751 1HE LYS 94 1HE LYS 94 5.090 2.107 -13.269 752 2HE LYS 94 2HE LYS 94 4.443 0.558 -13.401 753 1HZ LYS 94 1HZ LYS 94 3.277 2.045 -14.657 754 2HZ LYS 94 2HZ LYS 94 2.731 2.928 -13.396 755 H THR 95 H THR 95 4.959 3.434 -6.856 756 HA THR 95 HA THR 95 7.192 5.209 -7.419 757 HB THR 95 HB THR 95 5.907 5.989 -4.763 758 HG1 THR 95 1HG THR 95 5.367 6.999 -7.098 759 1HG2 THR 95 1HG2 THR 95 7.676 7.671 -4.671 760 2HG2 THR 95 2HG2 THR 95 8.126 6.025 -4.391 761 3HG2 THR 95 3HG2 THR 95 8.612 6.894 -5.951 762 H VAL 96 H VAL 96 8.907 4.465 -6.319 763 HA VAL 96 HA VAL 96 8.818 1.865 -4.747 764 HB VAL 96 HB VAL 96 8.635 0.765 -6.762 765 1HG1 VAL 96 1HG1 VAL 96 10.997 2.311 -8.033 766 2HG1 VAL 96 2HG1 VAL 96 9.858 1.199 -8.750 767 3HG1 VAL 96 3HG1 VAL 96 9.288 2.776 -8.192 768 1HG2 VAL 96 1HG2 VAL 96 10.283 -0.666 -6.664 769 2HG2 VAL 96 2HG2 VAL 96 11.646 0.473 -6.187 770 3HG2 VAL 96 3HG2 VAL 96 10.356 -0.041 -5.067 771 H GLY 97 H GLY 97 9.706 2.737 -3.244 772 1HA GLY 97 1HA GLY 97 12.620 3.174 -3.019 773 2HA GLY 97 2HA GLY 97 11.805 4.692 -2.974 774 H ALA 98 H ALA 98 12.523 4.747 -0.596 775 HA ALA 98 HA ALA 98 10.692 3.554 1.310 776 1HB ALA 98 1HB ALA 98 13.559 2.369 1.706 777 2HB ALA 98 2HB ALA 98 12.025 2.210 2.670 778 3HB ALA 98 3HB ALA 98 12.117 1.453 1.033 779 H ASP 99 H ASP 99 10.579 5.411 2.301 780 HA ASP 99 HA ASP 99 12.932 6.906 3.329 781 1HB ASP 99 1HB ASP 99 12.691 7.792 0.933 782 2HB ASP 99 2HB ASP 99 11.034 8.317 1.479 783 HD2 ASP 99 HD ASP 99 12.757 11.197 1.718 784 H LYS 100 H LYS 100 12.319 7.719 5.258 785 HA LYS 100 HA LYS 100 9.785 7.468 6.465 786 1HB LYS 100 1HB LYS 100 10.522 8.581 8.443 787 2HB LYS 100 2HB LYS 100 11.530 7.261 7.841 788 1HG LYS 100 1HG LYS 100 13.316 8.743 7.067 789 2HG LYS 100 2HG LYS 100 12.424 10.146 7.225 790 1HD LYS 100 1HD LYS 100 12.379 10.043 9.638 791 2HD LYS 100 2HD LYS 100 13.195 8.485 9.712 792 1HE LYS 100 1HE LYS 100 15.362 9.460 8.582 793 2HE LYS 100 2HE LYS 100 14.435 11.034 8.417 794 1HZ LYS 100 1HZ LYS 100 14.177 10.941 10.798 795 2HZ LYS 100 2HZ LYS 100 15.127 9.660 10.902 796 H ASP 101 H ASP 101 11.079 10.499 5.490 797 HA ASP 101 HA ASP 101 8.518 11.997 5.846 798 1HB ASP 101 1HB ASP 101 9.679 14.012 4.918 799 2HB ASP 101 2HB ASP 101 10.344 13.333 6.370 800 HD2 ASP 101 HD ASP 101 13.412 12.470 5.224 801 H GLY 102 H GLY 102 10.332 10.664 3.186 802 1HA GLY 102 1HA GLY 102 9.089 11.787 0.775 803 2HA GLY 102 2HA GLY 102 9.747 10.132 0.930 804 H LEU 103 H LEU 103 8.244 8.735 2.162 805 HA LEU 103 HA LEU 103 5.872 8.082 0.730 806 1HB LEU 103 1HB LEU 103 6.866 6.404 1.827 807 2HB LEU 103 2HB LEU 103 6.767 7.227 3.361 808 HG LEU 103 HG LEU 103 4.324 6.881 3.370 809 1HD1 LEU 103 1HD1 LEU 103 3.316 5.130 1.763 810 2HD1 LEU 103 2HD1 LEU 103 3.786 6.606 0.886 811 3HD1 LEU 103 3HD1 LEU 103 4.761 5.128 0.781 812 1HD2 LEU 103 1HD2 LEU 103 5.655 4.133 3.240 813 2HD2 LEU 103 2HD2 LEU 103 5.843 5.261 4.535 814 3HD2 LEU 103 3HD2 LEU 103 4.198 4.673 3.988 815 HA PRO 104 HA PRO 104 2.876 10.509 4.108 816 1HB PRO 104 1HB PRO 104 5.163 12.150 5.347 817 2HB PRO 104 2HB PRO 104 3.669 11.723 6.089 818 1HG PRO 104 1HG PRO 104 5.843 10.393 6.672 819 2HG PRO 104 2HG PRO 104 4.424 9.458 6.442 820 1HD PRO 104 1HD PRO 104 6.691 9.845 4.346 821 2HD PRO 104 2HD PRO 104 5.826 8.310 4.763 822 H THR 105 H THR 105 5.677 12.144 2.477 823 HA THR 105 HA THR 105 4.160 14.545 1.716 824 HB THR 105 HB THR 105 6.823 13.381 0.615 825 HG1 THR 105 1HG THR 105 7.688 15.127 1.931 826 1HG2 THR 105 1HG2 THR 105 7.381 15.396 -0.610 827 2HG2 THR 105 2HG2 THR 105 5.771 15.085 -1.076 828 3HG2 THR 105 3HG2 THR 105 6.152 16.243 0.267 829 H LEU 106 H LEU 106 4.853 11.591 -0.132 830 HA LEU 106 HA LEU 106 3.557 12.190 -2.568 831 1HB LEU 106 1HB LEU 106 5.304 10.359 -2.255 832 2HB LEU 106 2HB LEU 106 4.233 9.648 -1.087 833 HG LEU 106 HG LEU 106 2.619 8.951 -2.810 834 1HD1 LEU 106 1HD1 LEU 106 2.957 9.171 -5.322 835 2HD1 LEU 106 2HD1 LEU 106 3.050 10.877 -4.694 836 3HD1 LEU 106 3HD1 LEU 106 4.553 9.906 -4.946 837 1HD2 LEU 106 1HD2 LEU 106 3.976 7.244 -3.865 838 2HD2 LEU 106 2HD2 LEU 106 5.581 8.214 -3.574 839 3HD2 LEU 106 3HD2 LEU 106 4.428 7.407 -2.308 840 H VAL 107 H VAL 107 2.616 10.419 0.267 841 HA VAL 107 HA VAL 107 -0.167 9.909 -0.413 842 HB VAL 107 HB VAL 107 1.188 9.747 2.203 843 1HG1 VAL 107 1HG1 VAL 107 -1.201 9.936 2.720 844 2HG1 VAL 107 2HG1 VAL 107 -1.850 8.780 1.490 845 3HG1 VAL 107 3HG1 VAL 107 -0.889 8.277 2.883 846 1HG2 VAL 107 1HG2 VAL 107 1.256 7.351 1.745 847 2HG2 VAL 107 2HG2 VAL 107 0.282 7.377 0.379 848 3HG2 VAL 107 3HG2 VAL 107 1.787 8.096 0.228 849 H ALA 108 H ALA 108 1.116 12.598 1.431 850 HA ALA 108 HA ALA 108 -1.309 14.156 1.810 851 1HB ALA 108 1HB ALA 108 0.129 15.983 2.253 852 2HB ALA 108 2HB ALA 108 1.011 14.642 2.931 853 3HB ALA 108 3HB ALA 108 1.460 15.253 1.311 854 H LYS 109 H LYS 109 0.962 14.126 -1.043 855 HA LYS 109 HA LYS 109 -0.798 15.875 -2.686 856 1HB LYS 109 1HB LYS 109 1.296 13.575 -3.605 857 2HB LYS 109 2HB LYS 109 0.727 14.892 -4.611 858 1HG LYS 109 1HG LYS 109 1.911 16.604 -3.883 859 2HG LYS 109 2HG LYS 109 2.368 15.820 -2.339 860 1HD LYS 109 1HD LYS 109 3.611 14.096 -3.755 861 2HD LYS 109 2HD LYS 109 3.116 14.965 -5.242 862 1HE LYS 109 1HE LYS 109 4.505 16.958 -4.334 863 2HE LYS 109 2HE LYS 109 5.062 16.016 -2.953 864 1HZ LYS 109 1HZ LYS 109 6.093 14.464 -4.509 865 2HZ LYS 109 2HZ LYS 109 5.629 15.310 -5.746 866 H HIS 110 H HIS 110 -0.912 12.416 -2.224 867 HA HIS 110 HA HIS 110 -2.928 11.848 -4.404 868 1HB HIS 110 1HB HIS 110 -1.422 10.299 -2.274 869 2HB HIS 110 2HB HIS 110 -2.851 9.526 -2.699 870 HD1 HIS 110 1HD HIS 110 -3.027 8.293 -4.913 871 HD2 HIS 110 2HD HIS 110 0.173 11.014 -4.867 872 HE1 HIS 110 1HE HIS 110 -1.981 8.581 -7.252 873 H ALA 111 H ALA 111 -3.167 11.563 -0.860 874 HA ALA 111 HA ALA 111 -5.987 11.401 -0.463 875 1HB ALA 111 1HB ALA 111 -5.492 12.161 1.883 876 2HB ALA 111 2HB ALA 111 -4.315 11.033 1.299 877 3HB ALA 111 3HB ALA 111 -3.952 12.756 1.409 878 H THR 112 H THR 112 -4.262 14.497 -0.366 879 HA THR 112 HA THR 112 -6.651 16.169 -0.641 880 HB THR 112 HB THR 112 -3.936 17.133 -1.483 881 HG1 THR 112 1HG THR 112 -3.737 16.216 0.624 882 1HG2 THR 112 1HG2 THR 112 -5.508 18.822 -1.974 883 2HG2 THR 112 2HG2 THR 112 -6.261 18.566 -0.338 884 3HG2 THR 112 3HG2 THR 112 -4.588 19.250 -0.491 885 H ALA 113 H ALA 113 -4.246 15.296 -3.087 886 HA ALA 113 HA ALA 113 -4.262 15.718 -5.276 887 1HB ALA 113 1HB ALA 113 -6.813 14.128 -5.145 888 2HB ALA 113 2HB ALA 113 -5.996 14.382 -6.662 889 3HB ALA 113 3HB ALA 113 -5.212 13.462 -5.443 890 HXT ALA 113 HO ALA 113 -5.642 18.649 -6.047 Start of MODEL 3 1 1H ALA 1 1H ALA 1 -12.451 4.894 17.271 2 2H ALA 1 2H ALA 1 -12.500 6.351 18.083 3 HA ALA 1 HA ALA 1 -11.039 7.310 16.945 4 1HB ALA 1 1HB ALA 1 -9.269 5.549 16.025 5 2HB ALA 1 2HB ALA 1 -9.832 5.456 17.689 6 3HB ALA 1 3HB ALA 1 -10.378 4.265 16.492 7 H GLU 2 H GLU 2 -10.484 7.942 14.927 8 HA GLU 2 HA GLU 2 -11.925 7.207 12.344 9 1HB GLU 2 1HB GLU 2 -12.937 9.299 13.408 10 2HB GLU 2 2HB GLU 2 -11.413 10.072 13.087 11 1HG GLU 2 1HG GLU 2 -11.565 9.933 10.617 12 2HG GLU 2 2HG GLU 2 -12.904 8.803 10.736 13 HE2 GLU 2 HE GLU 2 -15.313 11.103 11.600 14 H GLU 3 H GLU 3 -10.043 6.086 11.409 15 HA GLU 3 HA GLU 3 -7.757 7.609 10.781 16 1HB GLU 3 1HB GLU 3 -6.005 6.356 12.027 17 2HB GLU 3 2HB GLU 3 -7.016 7.360 12.973 18 1HG GLU 3 1HG GLU 3 -8.403 5.321 13.693 19 2HG GLU 3 2HG GLU 3 -7.339 4.274 12.728 20 HE2 GLU 3 HE GLU 3 -6.427 4.773 16.415 21 H GLY 4 H GLY 4 -6.230 6.172 9.831 22 1HA GLY 4 1HA GLY 4 -7.404 4.133 7.941 23 2HA GLY 4 2HA GLY 4 -5.849 4.843 7.712 24 H GLN 5 H GLN 5 -5.608 2.186 7.624 25 HA GLN 5 HA GLN 5 -4.453 1.231 10.154 26 1HB GLN 5 1HB GLN 5 -5.906 -0.587 10.388 27 2HB GLN 5 2HB GLN 5 -6.932 0.829 10.483 28 1HG GLN 5 1HG GLN 5 -7.114 -0.283 7.738 29 2HG GLN 5 2HG GLN 5 -7.527 -1.613 8.924 30 1HE2 GLN 5 1HE2 GLN 5 -9.525 -1.367 10.084 31 2HE2 GLN 5 2HE2 GLN 5 -10.633 0.089 9.611 32 H VAL 6 H VAL 6 -2.861 -0.081 9.540 33 HA VAL 6 HA VAL 6 -2.461 -1.078 6.836 34 HB VAL 6 HB VAL 6 -0.903 -1.380 9.255 35 1HG1 VAL 6 1HG1 VAL 6 1.242 -1.870 7.792 36 2HG1 VAL 6 2HG1 VAL 6 0.029 -3.131 7.581 37 3HG1 VAL 6 3HG1 VAL 6 0.019 -1.793 6.411 38 1HG2 VAL 6 1HG2 VAL 6 -0.717 0.792 7.241 39 2HG2 VAL 6 2HG2 VAL 6 -1.024 0.864 8.923 40 3HG2 VAL 6 3HG2 VAL 6 0.624 0.611 8.301 41 H ILE 7 H ILE 7 -3.301 -2.897 6.462 42 HA ILE 7 HA ILE 7 -3.995 -5.171 8.331 43 HB ILE 7 HB ILE 7 -5.877 -3.857 7.189 44 1HG1 ILE 7 1HG1 ILE 7 -6.496 -5.707 8.547 45 2HG1 ILE 7 2HG1 ILE 7 -7.340 -5.729 7.042 46 1HG2 ILE 7 1HG2 ILE 7 -5.058 -4.107 4.802 47 2HG2 ILE 7 2HG2 ILE 7 -5.327 -5.812 4.936 48 3HG2 ILE 7 3HG2 ILE 7 -6.661 -4.777 4.925 49 1HD1 ILE 7 1HD1 ILE 7 -5.550 -7.602 6.219 50 2HD1 ILE 7 2HD1 ILE 7 -5.060 -7.624 7.989 51 3HD1 ILE 7 3HD1 ILE 7 -6.724 -7.960 7.579 52 H ALA 8 H ALA 8 -3.007 -6.817 8.153 53 HA ALA 8 HA ALA 8 -0.842 -7.654 6.361 54 1HB ALA 8 1HB ALA 8 -1.129 -9.988 7.863 55 2HB ALA 8 2HB ALA 8 -0.546 -8.432 8.652 56 3HB ALA 8 3HB ALA 8 -2.200 -8.821 8.843 57 H CYS 9 H CYS 9 -0.943 -8.652 4.664 58 HA CYS 9 HA CYS 9 -3.094 -10.500 3.674 59 1HB CYS 9 1HB CYS 9 -1.536 -8.246 2.243 60 2HB CYS 9 2HB CYS 9 -2.412 -9.421 1.355 61 HG CYS 9 HG CYS 9 -4.717 -8.683 2.776 62 H HIS 10 H HIS 10 -2.580 -12.345 2.494 63 HA HIS 10 HA HIS 10 0.187 -13.271 1.890 64 1HB HIS 10 1HB HIS 10 -1.528 -14.613 4.020 65 2HB HIS 10 2HB HIS 10 -0.167 -15.292 3.215 66 HD1 HIS 10 1HD HIS 10 2.435 -14.119 3.739 67 HD2 HIS 10 2HD HIS 10 -0.890 -12.986 6.264 68 HE1 HIS 10 1HE HIS 10 3.169 -12.982 5.849 69 H THR 11 H THR 11 -3.234 -13.569 1.077 70 HA THR 11 HA THR 11 -2.752 -15.888 -0.782 71 HB THR 11 HB THR 11 -5.206 -16.627 0.513 72 HG1 THR 11 1HG THR 11 -5.373 -15.950 2.422 73 1HG2 THR 11 1HG2 THR 11 -3.352 -18.083 0.347 74 2HG2 THR 11 2HG2 THR 11 -2.397 -17.277 1.585 75 3HG2 THR 11 3HG2 THR 11 -3.902 -18.018 2.083 76 H VAL 12 H VAL 12 -4.882 -16.288 -2.142 77 HA VAL 12 HA VAL 12 -6.133 -14.267 -3.397 78 HB VAL 12 HB VAL 12 -6.572 -16.534 -4.021 79 1HG1 VAL 12 1HG1 VAL 12 -8.887 -16.426 -1.791 80 2HG1 VAL 12 2HG1 VAL 12 -8.618 -17.731 -2.865 81 3HG1 VAL 12 3HG1 VAL 12 -7.341 -17.425 -1.655 82 1HG2 VAL 12 1HG2 VAL 12 -7.916 -14.825 -5.127 83 2HG2 VAL 12 2HG2 VAL 12 -8.930 -16.201 -4.789 84 3HG2 VAL 12 3HG2 VAL 12 -9.060 -14.684 -3.839 85 H ASP 13 H ASP 13 -6.686 -14.622 -0.276 86 HA ASP 13 HA ASP 13 -9.234 -13.215 0.375 87 1HB ASP 13 1HB ASP 13 -6.680 -13.427 2.245 88 2HB ASP 13 2HB ASP 13 -8.131 -12.760 2.753 89 HD2 ASP 13 HD ASP 13 -9.933 -14.324 2.301 90 H THR 14 H THR 14 -5.901 -11.982 0.680 91 HA THR 14 HA THR 14 -6.552 -9.157 0.440 92 HB THR 14 HB THR 14 -4.185 -10.304 0.758 93 HG1 THR 14 1HG THR 14 -4.124 -7.906 -0.797 94 1HG2 THR 14 1HG2 THR 14 -3.994 -10.890 -1.903 95 2HG2 THR 14 2HG2 THR 14 -3.577 -9.166 -1.987 96 3HG2 THR 14 3HG2 THR 14 -2.524 -10.179 -0.949 97 H TRP 15 H TRP 15 -6.490 -11.294 -2.353 98 HA TRP 15 HA TRP 15 -6.934 -9.310 -4.535 99 1HB TRP 15 1HB TRP 15 -7.322 -12.461 -4.263 100 2HB TRP 15 2HB TRP 15 -8.208 -11.662 -5.474 101 HD1 TRP 15 HD TRP 15 -4.602 -12.654 -4.788 102 HE1 TRP 15 1HE TRP 15 -3.192 -12.513 -7.008 103 HE3 TRP 15 3HE TRP 15 -8.305 -10.912 -7.673 104 HZ2 TRP 15 2HZ TRP 15 -3.790 -11.516 -9.596 105 HZ3 TRP 15 3HZ TRP 15 -7.858 -10.264 -9.974 106 HH2 TRP 15 HH TRP 15 -5.673 -10.455 -10.951 107 H LYS 16 H LYS 16 -9.147 -10.951 -2.589 108 HA LYS 16 HA LYS 16 -11.472 -9.335 -3.319 109 1HB LYS 16 1HB LYS 16 -11.086 -10.742 -0.615 110 2HB LYS 16 2HB LYS 16 -12.537 -10.074 -1.097 111 1HG LYS 16 1HG LYS 16 -12.642 -11.437 -3.236 112 2HG LYS 16 2HG LYS 16 -11.342 -12.297 -2.871 113 1HD LYS 16 1HD LYS 16 -13.883 -12.206 -1.217 114 2HD LYS 16 2HD LYS 16 -13.428 -13.388 -2.478 115 1HE LYS 16 1HE LYS 16 -11.331 -13.965 -0.965 116 2HE LYS 16 2HE LYS 16 -12.036 -12.991 0.405 117 1HZ LYS 16 1HZ LYS 16 -13.767 -14.651 0.480 118 2HZ LYS 16 2HZ LYS 16 -13.257 -15.302 -0.921 119 H GLU 17 H GLU 17 -9.211 -8.795 -0.551 120 HA GLU 17 HA GLU 17 -10.519 -6.462 0.562 121 1HB GLU 17 1HB GLU 17 -7.633 -7.276 0.979 122 2HB GLU 17 2HB GLU 17 -8.498 -5.906 1.736 123 1HG GLU 17 1HG GLU 17 -10.074 -7.866 2.618 124 2HG GLU 17 2HG GLU 17 -9.002 -8.886 1.828 125 HE2 GLU 17 HE GLU 17 -6.429 -9.076 3.968 126 H HIS 18 H HIS 18 -7.606 -6.568 -1.429 127 HA HIS 18 HA HIS 18 -7.103 -3.770 -2.002 128 1HB HIS 18 1HB HIS 18 -5.810 -6.117 -2.278 129 2HB HIS 18 2HB HIS 18 -6.785 -6.287 -3.654 130 HD1 HIS 18 1HD HIS 18 -6.581 -3.486 -5.416 131 HD2 HIS 18 2HD HIS 18 -3.454 -5.465 -3.321 132 HE1 HIS 18 1HE HIS 18 -4.297 -2.585 -6.071 133 H PHE 19 H PHE 19 -8.813 -5.948 -3.941 134 HA PHE 19 HA PHE 19 -9.248 -4.109 -6.019 135 1HB PHE 19 1HB PHE 19 -9.312 -6.646 -6.320 136 2HB PHE 19 2HB PHE 19 -10.930 -6.607 -5.690 137 HD1 PHE 19 1HD PHE 19 -12.731 -6.176 -7.502 138 HD2 PHE 19 2HD PHE 19 -8.595 -5.519 -8.589 139 HE1 PHE 19 1HE PHE 19 -13.352 -6.159 -9.781 140 HE2 PHE 19 2HE PHE 19 -9.253 -5.212 -10.806 141 HZ PHE 19 HZ PHE 19 -11.630 -5.672 -11.505 142 H GLU 20 H GLU 20 -11.874 -5.466 -4.028 143 HA GLU 20 HA GLU 20 -13.818 -3.626 -4.860 144 1HB GLU 20 1HB GLU 20 -13.965 -5.509 -2.478 145 2HB GLU 20 2HB GLU 20 -15.143 -4.400 -2.864 146 1HG GLU 20 1HG GLU 20 -14.115 -6.706 -4.394 147 2HG GLU 20 2HG GLU 20 -15.712 -6.651 -3.612 148 HE2 GLU 20 HE GLU 20 -17.400 -5.043 -6.040 149 H LYS 21 H LYS 21 -11.850 -3.401 -1.736 150 HA LYS 21 HA LYS 21 -12.951 -0.988 -0.923 151 1HB LYS 21 1HB LYS 21 -10.009 -1.983 -0.619 152 2HB LYS 21 2HB LYS 21 -10.558 -0.397 0.117 153 1HG LYS 21 1HG LYS 21 -12.422 -2.598 0.742 154 2HG LYS 21 2HG LYS 21 -10.779 -2.963 1.273 155 1HD LYS 21 1HD LYS 21 -10.868 -0.618 2.421 156 2HD LYS 21 2HD LYS 21 -12.559 -0.419 1.726 157 1HE LYS 21 1HE LYS 21 -13.101 -1.154 3.912 158 2HE LYS 21 2HE LYS 21 -13.204 -2.655 3.011 159 1HZ LYS 21 1HZ LYS 21 -11.746 -2.793 5.022 160 2HZ LYS 21 2HZ LYS 21 -10.926 -3.083 3.554 161 H GLY 22 H GLY 22 -10.046 -1.160 -3.074 162 1HA GLY 22 1HA GLY 22 -9.588 1.582 -4.042 163 2HA GLY 22 2HA GLY 22 -9.413 0.125 -4.810 164 H LYS 23 H LYS 23 -10.779 -0.521 -6.402 165 HA LYS 23 HA LYS 23 -12.951 1.173 -7.419 166 1HB LYS 23 1HB LYS 23 -11.782 0.066 -9.106 167 2HB LYS 23 2HB LYS 23 -12.331 -1.469 -8.450 168 1HG LYS 23 1HG LYS 23 -14.656 0.244 -9.040 169 2HG LYS 23 2HG LYS 23 -13.611 0.503 -10.411 170 1HD LYS 23 1HD LYS 23 -14.702 -2.158 -9.513 171 2HD LYS 23 2HD LYS 23 -15.170 -1.376 -10.887 172 1HE LYS 23 1HE LYS 23 -12.437 -2.810 -10.421 173 2HE LYS 23 2HE LYS 23 -13.738 -3.191 -11.448 174 1HZ LYS 23 1HZ LYS 23 -13.524 -1.441 -12.883 175 2HZ LYS 23 2HZ LYS 23 -12.101 -0.887 -12.093 176 H GLY 24 H GLY 24 -14.250 1.374 -5.881 177 1HA GLY 24 1HA GLY 24 -16.658 0.236 -6.113 178 2HA GLY 24 2HA GLY 24 -16.099 -0.891 -4.965 179 H SER 25 H SER 25 -14.560 1.193 -3.605 180 HA SER 25 HA SER 25 -16.694 2.414 -1.794 181 1HB SER 25 1HB SER 25 -13.983 1.442 -0.723 182 2HB SER 25 2HB SER 25 -15.312 2.282 0.142 183 HG SER 25 HG SER 25 -16.501 0.312 -0.833 184 H GLN 26 H GLN 26 -16.831 4.505 -2.082 185 HA GLN 26 HA GLN 26 -14.918 6.259 -3.387 186 1HB GLN 26 1HB GLN 26 -17.210 6.870 -1.410 187 2HB GLN 26 2HB GLN 26 -16.159 8.227 -2.006 188 1HG GLN 26 1HG GLN 26 -17.995 8.243 -3.534 189 2HG GLN 26 2HG GLN 26 -16.899 7.346 -4.404 190 1HE2 GLN 26 1HE2 GLN 26 -18.582 6.574 -5.611 191 2HE2 GLN 26 2HE2 GLN 26 -19.606 5.166 -5.060 192 H LYS 27 H LYS 27 -13.049 5.429 -2.527 193 HA LYS 27 HA LYS 27 -11.730 7.247 -0.641 194 1HB LYS 27 1HB LYS 27 -11.068 5.538 0.957 195 2HB LYS 27 2HB LYS 27 -12.816 5.597 0.959 196 1HG LYS 27 1HG LYS 27 -12.730 3.453 -0.538 197 2HG LYS 27 2HG LYS 27 -11.069 3.564 -0.650 198 1HD LYS 27 1HD LYS 27 -11.933 1.858 0.991 199 2HD LYS 27 2HD LYS 27 -10.745 2.960 1.611 200 1HE LYS 27 1HE LYS 27 -12.253 4.221 2.840 201 2HE LYS 27 2HE LYS 27 -13.652 3.334 2.046 202 1HZ LYS 27 1HZ LYS 27 -12.102 2.618 4.375 203 2HZ LYS 27 2HZ LYS 27 -13.437 1.930 3.851 204 H LEU 28 H LEU 28 -9.525 6.785 -0.389 205 HA LEU 28 HA LEU 28 -8.002 5.819 -2.830 206 1HB LEU 28 1HB LEU 28 -7.549 8.007 -2.013 207 2HB LEU 28 2HB LEU 28 -7.267 7.528 -0.493 208 HG LEU 28 HG LEU 28 -5.154 6.439 -0.987 209 1HD1 LEU 28 1HD1 LEU 28 -3.995 6.656 -3.351 210 2HD1 LEU 28 2HD1 LEU 28 -5.307 5.572 -3.263 211 3HD1 LEU 28 3HD1 LEU 28 -5.443 7.191 -3.846 212 1HD2 LEU 28 1HD2 LEU 28 -5.258 9.329 -1.947 213 2HD2 LEU 28 2HD2 LEU 28 -4.830 8.614 -0.346 214 3HD2 LEU 28 3HD2 LEU 28 -3.741 8.340 -1.677 215 H ILE 29 H ILE 29 -6.402 4.025 -2.419 216 HA ILE 29 HA ILE 29 -6.244 2.587 0.170 217 HB ILE 29 HB ILE 29 -6.391 0.528 -0.557 218 1HG1 ILE 29 1HG1 ILE 29 -7.483 0.854 -3.341 219 2HG1 ILE 29 2HG1 ILE 29 -5.705 0.929 -3.148 220 1HG2 ILE 29 1HG2 ILE 29 -8.801 0.268 -0.902 221 2HG2 ILE 29 2HG2 ILE 29 -8.427 1.660 0.171 222 3HG2 ILE 29 3HG2 ILE 29 -8.916 1.996 -1.589 223 1HD1 ILE 29 1HD1 ILE 29 -7.377 -1.456 -1.902 224 2HD1 ILE 29 2HD1 ILE 29 -6.661 -1.490 -3.585 225 3HD1 ILE 29 3HD1 ILE 29 -5.595 -1.337 -2.210 226 H VAL 30 H VAL 30 -4.036 2.012 0.419 227 HA VAL 30 HA VAL 30 -1.956 2.503 -1.692 228 HB VAL 30 HB VAL 30 -1.858 3.766 0.980 229 1HG1 VAL 30 1HG1 VAL 30 0.345 2.895 0.232 230 2HG1 VAL 30 2HG1 VAL 30 0.338 3.888 -1.242 231 3HG1 VAL 30 3HG1 VAL 30 0.339 4.653 0.409 232 1HG2 VAL 30 1HG2 VAL 30 -1.537 5.924 -0.596 233 2HG2 VAL 30 2HG2 VAL 30 -2.649 4.868 -1.602 234 3HG2 VAL 30 3HG2 VAL 30 -3.120 5.378 0.038 235 H VAL 31 H VAL 31 -0.444 1.079 -1.634 236 HA VAL 31 HA VAL 31 -0.502 -1.116 0.367 237 HB VAL 31 HB VAL 31 -2.242 -1.714 -1.023 238 1HG1 VAL 31 1HG1 VAL 31 -0.413 -1.105 -3.394 239 2HG1 VAL 31 2HG1 VAL 31 -1.830 -2.278 -3.681 240 3HG1 VAL 31 3HG1 VAL 31 -2.052 -0.589 -2.846 241 1HG2 VAL 31 1HG2 VAL 31 -1.611 -3.898 -2.270 242 2HG2 VAL 31 2HG2 VAL 31 0.014 -3.531 -1.711 243 3HG2 VAL 31 3HG2 VAL 31 -1.164 -3.818 -0.471 244 H ASP 32 H ASP 32 1.380 -1.488 0.939 245 HA ASP 32 HA ASP 32 3.744 -1.421 -0.650 246 1HB ASP 32 1HB ASP 32 3.770 -0.895 1.751 247 2HB ASP 32 2HB ASP 32 3.519 -2.648 2.182 248 HD2 ASP 32 HD ASP 32 7.033 -1.356 0.851 249 H PHE 33 H PHE 33 5.053 -2.998 -1.042 250 HA PHE 33 HA PHE 33 4.253 -5.825 -1.340 251 1HB PHE 33 1HB PHE 33 5.114 -4.188 -3.753 252 2HB PHE 33 2HB PHE 33 5.368 -5.888 -3.598 253 HD1 PHE 33 1HD PHE 33 3.367 -7.478 -3.385 254 HD2 PHE 33 2HD PHE 33 2.631 -3.220 -3.854 255 HE1 PHE 33 1HE PHE 33 0.817 -7.775 -4.033 256 HE2 PHE 33 2HE PHE 33 0.291 -3.644 -4.123 257 HZ PHE 33 HZ PHE 33 -0.711 -5.914 -4.410 258 H THR 34 H THR 34 5.854 -6.883 -0.100 259 HA THR 34 HA THR 34 8.631 -5.874 -0.210 260 HB THR 34 HB THR 34 7.264 -4.302 1.452 261 HG1 THR 34 1HG THR 34 8.955 -4.754 3.109 262 1HG2 THR 34 1HG2 THR 34 7.074 -6.638 3.310 263 2HG2 THR 34 2HG2 THR 34 6.679 -4.929 3.637 264 3HG2 THR 34 3HG2 THR 34 5.689 -5.992 2.542 265 H ALA 35 H ALA 35 9.718 -7.431 0.526 266 HA ALA 35 HA ALA 35 8.702 -10.137 1.235 267 1HB ALA 35 1HB ALA 35 11.095 -10.857 0.474 268 2HB ALA 35 2HB ALA 35 10.698 -9.396 -0.551 269 3HB ALA 35 3HB ALA 35 11.754 -9.190 0.843 270 H SER 36 H SER 36 8.637 -10.823 3.317 271 HA SER 36 HA SER 36 9.204 -9.448 5.643 272 1HB SER 36 1HB SER 36 8.013 -11.803 5.253 273 2HB SER 36 2HB SER 36 9.625 -12.571 5.351 274 HG SER 36 HG SER 36 9.682 -11.495 7.385 275 H TRP 37 H TRP 37 11.811 -11.404 4.161 276 HA TRP 37 HA TRP 37 14.025 -10.471 5.930 277 1HB TRP 37 1HB TRP 37 15.455 -11.582 4.030 278 2HB TRP 37 2HB TRP 37 14.301 -12.484 4.801 279 HD1 TRP 37 HD TRP 37 11.954 -13.321 3.460 280 HE1 TRP 37 1HE TRP 37 11.419 -13.612 1.094 281 HE3 TRP 37 3HE TRP 37 15.860 -10.575 1.503 282 HZ2 TRP 37 2HZ TRP 37 12.721 -12.920 -1.361 283 HZ3 TRP 37 3HZ TRP 37 16.114 -10.425 -0.938 284 HH2 TRP 37 HH TRP 37 14.548 -11.478 -2.454 285 H CYS 38 H CYS 38 13.571 -8.308 6.089 286 HA CYS 38 HA CYS 38 14.886 -6.390 4.241 287 1HB CYS 38 1HB CYS 38 12.801 -6.626 2.862 288 2HB CYS 38 2HB CYS 38 11.803 -6.379 4.265 289 HG CYS 38 HG CYS 38 13.704 -4.367 2.462 290 HA PRO 39 HA PRO 39 14.650 -4.817 8.598 291 1HB PRO 39 1HB PRO 39 17.337 -4.086 7.871 292 2HB PRO 39 2HB PRO 39 16.666 -4.779 9.417 293 1HG PRO 39 1HG PRO 39 18.158 -6.352 7.822 294 2HG PRO 39 2HG PRO 39 16.588 -6.954 8.556 295 1HD PRO 39 1HD PRO 39 16.869 -5.859 5.650 296 2HD PRO 39 2HD PRO 39 16.180 -7.380 6.283 297 HA PRO 40 HA PRO 40 15.103 -0.325 6.503 298 1HB PRO 40 1HB PRO 40 14.579 -1.312 3.703 299 2HB PRO 40 2HB PRO 40 15.613 0.155 4.237 300 1HG PRO 40 1HG PRO 40 16.907 -2.033 3.495 301 2HG PRO 40 2HG PRO 40 17.367 -1.236 4.911 302 1HD PRO 40 1HD PRO 40 15.815 -3.754 4.691 303 2HD PRO 40 2HD PRO 40 17.027 -3.306 5.766 304 H CYS 41 H CYS 41 13.008 -2.570 4.864 305 HA CYS 41 HA CYS 41 10.534 -1.078 5.215 306 1HB CYS 41 1HB CYS 41 10.621 -3.906 4.492 307 2HB CYS 41 2HB CYS 41 9.244 -2.835 4.636 308 HG CYS 41 HG CYS 41 9.351 -2.041 2.635 309 H LYS 42 H LYS 42 12.040 -3.412 7.229 310 HA LYS 42 HA LYS 42 9.928 -3.682 9.273 311 1HB LYS 42 1HB LYS 42 11.868 -5.191 9.183 312 2HB LYS 42 2HB LYS 42 12.950 -3.944 9.662 313 1HG LYS 42 1HG LYS 42 11.822 -3.999 11.924 314 2HG LYS 42 2HG LYS 42 10.534 -5.009 11.318 315 1HD LYS 42 1HD LYS 42 12.184 -6.900 10.843 316 2HD LYS 42 2HD LYS 42 13.404 -5.954 11.757 317 1HE LYS 42 1HE LYS 42 12.633 -7.477 13.226 318 2HE LYS 42 2HE LYS 42 11.869 -6.030 13.821 319 1HZ LYS 42 1HZ LYS 42 9.882 -6.616 13.062 320 2HZ LYS 42 2HZ LYS 42 10.375 -7.801 12.033 321 H MET 43 H MET 43 12.388 -1.160 9.097 322 HA MET 43 HA MET 43 10.976 0.692 10.971 323 1HB MET 43 1HB MET 43 12.298 2.396 10.630 324 2HB MET 43 2HB MET 43 13.305 0.990 10.762 325 1HG MET 43 1HG MET 43 13.764 0.941 8.410 326 2HG MET 43 2HG MET 43 12.808 2.369 8.079 327 1HE MET 43 1HE MET 43 15.800 1.852 7.150 328 2HE MET 43 2HE MET 43 15.489 3.719 6.972 329 3HE MET 43 3HE MET 43 16.882 3.123 7.930 330 H ILE 44 H ILE 44 10.727 0.485 7.421 331 HA ILE 44 HA ILE 44 8.930 2.714 7.104 332 HB ILE 44 HB ILE 44 10.367 1.137 5.148 333 1HG1 ILE 44 1HG1 ILE 44 9.186 2.735 3.522 334 2HG1 ILE 44 2HG1 ILE 44 8.096 3.156 4.751 335 1HG2 ILE 44 1HG2 ILE 44 7.427 0.519 4.573 336 2HG2 ILE 44 2HG2 ILE 44 8.957 0.266 3.581 337 3HG2 ILE 44 3HG2 ILE 44 8.581 -0.678 5.156 338 1HD1 ILE 44 1HD1 ILE 44 9.914 4.413 5.930 339 2HD1 ILE 44 2HD1 ILE 44 11.054 3.814 4.754 340 3HD1 ILE 44 3HD1 ILE 44 9.681 4.925 4.296 341 H ALA 45 H ALA 45 8.057 -0.678 7.617 342 HA ALA 45 HA ALA 45 5.259 -0.390 7.735 343 1HB ALA 45 1HB ALA 45 6.837 -2.078 9.712 344 2HB ALA 45 2HB ALA 45 5.105 -2.069 9.509 345 3HB ALA 45 3HB ALA 45 6.149 -2.665 8.233 346 HA PRO 46 HA PRO 46 5.066 1.998 12.162 347 1HB PRO 46 1HB PRO 46 7.928 2.997 12.169 348 2HB PRO 46 2HB PRO 46 6.913 2.576 13.594 349 1HG PRO 46 1HG PRO 46 8.943 0.887 12.497 350 2HG PRO 46 2HG PRO 46 7.670 0.409 13.564 351 1HD PRO 46 1HD PRO 46 8.045 0.093 10.630 352 2HD PRO 46 2HD PRO 46 6.986 -0.959 11.670 353 H ILE 47 H ILE 47 7.207 3.164 9.433 354 HA ILE 47 HA ILE 47 6.268 5.913 9.587 355 HB ILE 47 HB ILE 47 7.868 4.350 7.550 356 1HG1 ILE 47 1HG1 ILE 47 9.279 4.588 9.336 357 2HG1 ILE 47 2HG1 ILE 47 9.841 5.635 8.123 358 1HG2 ILE 47 1HG2 ILE 47 6.796 6.074 6.178 359 2HG2 ILE 47 2HG2 ILE 47 7.276 7.235 7.345 360 3HG2 ILE 47 3HG2 ILE 47 8.538 6.430 6.396 361 1HD1 ILE 47 1HD1 ILE 47 9.877 6.778 10.345 362 2HD1 ILE 47 2HD1 ILE 47 8.694 7.708 9.273 363 3HD1 ILE 47 3HD1 ILE 47 8.149 6.647 10.518 364 H PHE 48 H PHE 48 5.380 3.489 7.236 365 HA PHE 48 HA PHE 48 2.996 4.517 6.345 366 1HB PHE 48 1HB PHE 48 4.305 2.507 5.518 367 2HB PHE 48 2HB PHE 48 3.829 1.631 6.873 368 HD1 PHE 48 1HD PHE 48 2.646 -0.060 6.179 369 HD2 PHE 48 2HD PHE 48 2.073 3.604 3.978 370 HE1 PHE 48 1HE PHE 48 1.106 -1.290 4.624 371 HE2 PHE 48 2HE PHE 48 0.808 2.437 2.463 372 HZ PHE 48 HZ PHE 48 0.111 0.037 2.808 373 H ALA 49 H ALA 49 3.320 3.100 9.445 374 HA ALA 49 HA ALA 49 0.497 3.070 10.367 375 1HB ALA 49 1HB ALA 49 2.097 1.456 11.211 376 2HB ALA 49 2HB ALA 49 3.033 2.618 11.978 377 3HB ALA 49 3HB ALA 49 1.240 2.291 12.477 378 H GLU 50 H GLU 50 3.278 5.232 11.259 379 HA GLU 50 HA GLU 50 1.637 7.227 12.563 380 1HB GLU 50 1HB GLU 50 3.944 7.167 12.903 381 2HB GLU 50 2HB GLU 50 4.239 7.315 11.069 382 1HG GLU 50 1HG GLU 50 3.452 9.746 11.263 383 2HG GLU 50 2HG GLU 50 2.935 9.436 12.968 384 HE2 GLU 50 HE GLU 50 6.402 9.592 13.930 385 H LEU 51 H LEU 51 2.637 7.229 9.093 386 HA LEU 51 HA LEU 51 0.880 9.320 8.282 387 1HB LEU 51 1HB LEU 51 2.709 8.555 6.865 388 2HB LEU 51 2HB LEU 51 2.027 6.962 6.678 389 HG LEU 51 HG LEU 51 1.970 8.569 4.846 390 1HD1 LEU 51 1HD1 LEU 51 -0.574 6.825 5.356 391 2HD1 LEU 51 2HD1 LEU 51 -0.028 7.352 3.822 392 3HD1 LEU 51 3HD1 LEU 51 0.973 6.172 4.740 393 1HD2 LEU 51 1HD2 LEU 51 0.759 10.420 5.949 394 2HD2 LEU 51 2HD2 LEU 51 0.002 9.835 4.452 395 3HD2 LEU 51 3HD2 LEU 51 -0.796 9.474 5.907 396 H ALA 52 H ALA 52 0.019 5.920 8.589 397 HA ALA 52 HA ALA 52 -2.736 6.054 7.754 398 1HB ALA 52 1HB ALA 52 -1.616 3.903 8.097 399 2HB ALA 52 2HB ALA 52 -1.736 4.132 9.924 400 3HB ALA 52 3HB ALA 52 -3.170 3.977 9.013 401 H LYS 53 H LYS 53 -1.393 6.716 10.900 402 HA LYS 53 HA LYS 53 -3.873 7.444 12.339 403 1HB LYS 53 1HB LYS 53 -0.849 7.939 12.988 404 2HB LYS 53 2HB LYS 53 -2.023 8.750 13.860 405 1HG LYS 53 1HG LYS 53 -3.189 6.582 14.537 406 2HG LYS 53 2HG LYS 53 -2.167 5.683 13.551 407 1HD LYS 53 1HD LYS 53 -1.121 7.472 15.807 408 2HD LYS 53 2HD LYS 53 -1.591 5.836 16.124 409 1HE LYS 53 1HE LYS 53 0.191 5.018 14.481 410 2HE LYS 53 2HE LYS 53 0.728 6.663 14.305 411 1HZ LYS 53 1HZ LYS 53 1.213 6.740 16.611 412 2HZ LYS 53 2HZ LYS 53 0.379 5.433 17.011 413 H LYS 54 H LYS 54 -1.740 9.287 10.309 414 HA LYS 54 HA LYS 54 -2.554 12.032 11.062 415 1HB LYS 54 1HB LYS 54 -0.298 11.208 10.186 416 2HB LYS 54 2HB LYS 54 -0.967 10.801 8.637 417 1HG LYS 54 1HG LYS 54 -1.546 13.389 8.381 418 2HG LYS 54 2HG LYS 54 -0.730 13.583 10.023 419 1HD LYS 54 1HD LYS 54 0.729 12.639 7.598 420 2HD LYS 54 2HD LYS 54 0.733 14.411 8.208 421 1HE LYS 54 1HE LYS 54 1.562 13.419 10.370 422 2HE LYS 54 2HE LYS 54 1.840 11.977 9.629 423 1HZ LYS 54 1HZ LYS 54 3.649 13.405 9.650 424 2HZ LYS 54 2HZ LYS 54 3.405 12.695 8.181 425 H PHE 55 H PHE 55 -3.478 9.575 8.788 426 HA PHE 55 HA PHE 55 -5.251 11.304 7.084 427 1HB PHE 55 1HB PHE 55 -2.863 9.599 6.541 428 2HB PHE 55 2HB PHE 55 -4.264 9.403 5.398 429 HD1 PHE 55 1HD PHE 55 -5.222 11.659 4.620 430 HD2 PHE 55 2HD PHE 55 -1.366 11.602 6.443 431 HE1 PHE 55 1HE PHE 55 -4.632 13.832 3.487 432 HE2 PHE 55 2HE PHE 55 -0.667 13.483 5.231 433 HZ PHE 55 HZ PHE 55 -2.409 14.824 3.775 434 HA PRO 56 HA PRO 56 -8.284 7.722 8.103 435 1HB PRO 56 1HB PRO 56 -10.484 9.030 8.582 436 2HB PRO 56 2HB PRO 56 -9.268 9.104 9.650 437 1HG PRO 56 1HG PRO 56 -9.838 11.187 7.539 438 2HG PRO 56 2HG PRO 56 -9.389 11.398 9.285 439 1HD PRO 56 1HD PRO 56 -7.610 11.538 7.011 440 2HD PRO 56 2HD PRO 56 -7.158 11.398 8.718 441 H ASN 57 H ASN 57 -7.948 9.383 5.014 442 HA ASN 57 HA ASN 57 -10.623 8.738 3.815 443 1HB ASN 57 1HB ASN 57 -9.692 9.810 1.869 444 2HB ASN 57 2HB ASN 57 -9.985 10.842 3.206 445 1HD2 ASN 57 1HD2 ASN 57 -8.618 12.261 3.384 446 2HD2 ASN 57 2HD2 ASN 57 -6.780 12.295 3.069 447 H VAL 58 H VAL 58 -7.971 7.088 4.685 448 HA VAL 58 HA VAL 58 -7.837 5.685 2.113 449 HB VAL 58 HB VAL 58 -6.400 7.607 1.907 450 1HG1 VAL 58 1HG1 VAL 58 -4.911 7.121 4.593 451 2HG1 VAL 58 2HG1 VAL 58 -4.665 8.373 3.353 452 3HG1 VAL 58 3HG1 VAL 58 -6.170 8.419 4.221 453 1HG2 VAL 58 1HG2 VAL 58 -4.225 6.897 1.572 454 2HG2 VAL 58 2HG2 VAL 58 -4.350 5.412 2.461 455 3HG2 VAL 58 3HG2 VAL 58 -5.334 5.634 0.903 456 H THR 59 H THR 59 -7.999 3.620 2.500 457 HA THR 59 HA THR 59 -7.086 1.961 4.834 458 HB THR 59 HB THR 59 -8.012 1.485 1.953 459 HG1 THR 59 1HG THR 59 -9.383 1.022 4.479 460 1HG2 THR 59 1HG2 THR 59 -8.620 -0.689 2.391 461 2HG2 THR 59 2HG2 THR 59 -6.895 -0.702 2.676 462 3HG2 THR 59 3HG2 THR 59 -8.062 -0.788 4.051 463 H PHE 60 H PHE 60 -5.577 0.470 4.847 464 HA PHE 60 HA PHE 60 -3.302 0.703 2.994 465 1HB PHE 60 1HB PHE 60 -2.930 0.860 6.078 466 2HB PHE 60 2HB PHE 60 -1.671 0.888 4.955 467 HD1 PHE 60 1HD PHE 60 -1.460 2.722 3.160 468 HD2 PHE 60 2HD PHE 60 -4.071 3.221 6.507 469 HE1 PHE 60 1HE PHE 60 -1.363 5.251 2.925 470 HE2 PHE 60 2HE PHE 60 -4.227 5.505 6.135 471 HZ PHE 60 HZ PHE 60 -2.670 6.636 4.484 472 H LEU 61 H LEU 61 -2.398 -0.948 2.580 473 HA LEU 61 HA LEU 61 -2.270 -3.361 4.381 474 1HB LEU 61 1HB LEU 61 -3.528 -4.739 3.191 475 2HB LEU 61 2HB LEU 61 -4.348 -3.216 2.981 476 HG LEU 61 HG LEU 61 -2.837 -3.121 0.751 477 1HD1 LEU 61 1HD1 LEU 61 -3.413 -6.190 0.954 478 2HD1 LEU 61 2HD1 LEU 61 -2.873 -5.285 -0.563 479 3HD1 LEU 61 3HD1 LEU 61 -1.804 -5.408 0.861 480 1HD2 LEU 61 1HD2 LEU 61 -5.328 -2.855 0.871 481 2HD2 LEU 61 2HD2 LEU 61 -4.949 -3.945 -0.457 482 3HD2 LEU 61 3HD2 LEU 61 -5.497 -4.698 1.127 483 H LYS 62 H LYS 62 -0.986 -4.955 3.848 484 HA LYS 62 HA LYS 62 1.355 -4.493 2.009 485 1HB LYS 62 1HB LYS 62 3.010 -5.023 3.854 486 2HB LYS 62 2HB LYS 62 2.187 -3.467 4.106 487 1HG LYS 62 1HG LYS 62 0.803 -4.383 5.757 488 2HG LYS 62 2HG LYS 62 1.314 -5.999 5.701 489 1HD LYS 62 1HD LYS 62 3.770 -5.006 6.169 490 2HD LYS 62 2HD LYS 62 2.714 -3.613 6.807 491 1HE LYS 62 1HE LYS 62 1.468 -5.375 8.259 492 2HE LYS 62 2HE LYS 62 2.668 -6.548 7.864 493 1HZ LYS 62 1HZ LYS 62 3.521 -3.944 8.873 494 2HZ LYS 62 2HZ LYS 62 4.427 -5.279 9.111 495 H VAL 63 H VAL 63 1.210 -5.999 0.977 496 HA VAL 63 HA VAL 63 0.847 -8.822 1.341 497 HB VAL 63 HB VAL 63 1.814 -7.233 -1.069 498 1HG1 VAL 63 1HG1 VAL 63 1.351 -9.286 -2.506 499 2HG1 VAL 63 2HG1 VAL 63 2.786 -9.456 -1.459 500 3HG1 VAL 63 3HG1 VAL 63 1.342 -10.258 -0.934 501 1HG2 VAL 63 1HG2 VAL 63 -0.688 -7.073 -0.413 502 2HG2 VAL 63 2HG2 VAL 63 -0.500 -7.941 -1.910 503 3HG2 VAL 63 3HG2 VAL 63 -0.829 -8.784 -0.383 504 H ASP 64 H ASP 64 2.233 -10.278 2.190 505 HA ASP 64 HA ASP 64 5.051 -10.137 2.166 506 1HB ASP 64 1HB ASP 64 3.907 -11.503 3.648 507 2HB ASP 64 2HB ASP 64 3.160 -12.531 2.528 508 HD2 ASP 64 HD ASP 64 6.540 -13.663 4.042 509 H VAL 65 H VAL 65 6.149 -10.004 0.091 510 HA VAL 65 HA VAL 65 5.078 -10.986 -2.344 511 HB VAL 65 HB VAL 65 7.100 -9.281 -1.694 512 1HG1 VAL 65 1HG1 VAL 65 9.339 -9.877 -2.459 513 2HG1 VAL 65 2HG1 VAL 65 8.658 -10.874 -1.081 514 3HG1 VAL 65 3HG1 VAL 65 8.886 -11.696 -2.604 515 1HG2 VAL 65 1HG2 VAL 65 6.900 -10.775 -4.382 516 2HG2 VAL 65 2HG2 VAL 65 5.788 -9.396 -3.716 517 3HG2 VAL 65 3HG2 VAL 65 7.501 -9.262 -4.284 518 H ASP 66 H ASP 66 7.487 -12.807 -0.355 519 HA ASP 66 HA ASP 66 7.975 -15.035 -2.067 520 1HB ASP 66 1HB ASP 66 7.525 -15.268 0.918 521 2HB ASP 66 2HB ASP 66 8.243 -16.454 -0.053 522 HD2 ASP 66 HD ASP 66 11.244 -14.817 0.082 523 H GLU 67 H GLU 67 5.214 -14.867 0.063 524 HA GLU 67 HA GLU 67 3.656 -16.918 -0.921 525 1HB GLU 67 1HB GLU 67 3.021 -14.433 0.824 526 2HB GLU 67 2HB GLU 67 1.712 -15.237 0.086 527 1HG GLU 67 1HG GLU 67 1.799 -16.242 2.149 528 2HG GLU 67 2HG GLU 67 2.442 -17.443 1.004 529 HE2 GLU 67 HE GLU 67 5.265 -18.096 2.690 530 H LEU 68 H LEU 68 3.543 -13.495 -2.162 531 HA LEU 68 HA LEU 68 1.802 -14.152 -4.654 532 1HB LEU 68 1HB LEU 68 1.710 -11.944 -2.618 533 2HB LEU 68 2HB LEU 68 0.821 -11.815 -4.001 534 HG LEU 68 HG LEU 68 0.213 -13.764 -1.626 535 1HD1 LEU 68 1HD1 LEU 68 -2.101 -12.545 -1.798 536 2HD1 LEU 68 2HD1 LEU 68 -0.763 -11.617 -1.166 537 3HD1 LEU 68 3HD1 LEU 68 -1.291 -11.309 -2.913 538 1HD2 LEU 68 1HD2 LEU 68 -1.809 -14.631 -3.013 539 2HD2 LEU 68 2HD2 LEU 68 -1.334 -13.521 -4.280 540 3HD2 LEU 68 3HD2 LEU 68 -0.175 -14.982 -3.766 541 H LYS 69 H LYS 69 4.158 -14.234 -5.073 542 HA LYS 69 HA LYS 69 5.508 -11.742 -6.018 543 1HB LYS 69 1HB LYS 69 7.144 -13.266 -7.046 544 2HB LYS 69 2HB LYS 69 6.973 -13.281 -5.241 545 1HG LYS 69 1HG LYS 69 5.591 -15.391 -5.583 546 2HG LYS 69 2HG LYS 69 6.007 -15.516 -7.293 547 1HD LYS 69 1HD LYS 69 8.459 -15.423 -6.661 548 2HD LYS 69 2HD LYS 69 8.036 -15.653 -4.909 549 1HE LYS 69 1HE LYS 69 6.663 -17.709 -5.547 550 2HE LYS 69 2HE LYS 69 7.394 -17.500 -7.242 551 1HZ LYS 69 1HZ LYS 69 9.743 -17.990 -5.923 552 2HZ LYS 69 2HZ LYS 69 8.827 -18.134 -4.607 553 H ALA 70 H ALA 70 3.605 -14.190 -7.694 554 HA ALA 70 HA ALA 70 4.248 -13.182 -10.472 555 1HB ALA 70 1HB ALA 70 2.139 -14.774 -10.956 556 2HB ALA 70 2HB ALA 70 3.480 -15.600 -10.134 557 3HB ALA 70 3HB ALA 70 2.164 -15.071 -9.225 558 H VAL 71 H VAL 71 1.679 -12.742 -8.189 559 HA VAL 71 HA VAL 71 0.311 -10.816 -9.868 560 HB VAL 71 HB VAL 71 -1.055 -12.072 -8.168 561 1HG1 VAL 71 1HG1 VAL 71 -0.917 -11.797 -5.784 562 2HG1 VAL 71 2HG1 VAL 71 0.791 -11.974 -6.310 563 3HG1 VAL 71 3HG1 VAL 71 0.263 -10.446 -5.818 564 1HG2 VAL 71 1HG2 VAL 71 -2.559 -10.197 -7.398 565 2HG2 VAL 71 2HG2 VAL 71 -1.103 -9.109 -7.747 566 3HG2 VAL 71 3HG2 VAL 71 -2.085 -9.803 -8.924 567 H ALA 72 H ALA 72 2.357 -10.352 -7.078 568 HA ALA 72 HA ALA 72 2.341 -7.519 -6.963 569 1HB ALA 72 1HB ALA 72 4.540 -7.631 -5.976 570 2HB ALA 72 2HB ALA 72 3.753 -9.107 -5.288 571 3HB ALA 72 3HB ALA 72 4.916 -9.282 -6.566 572 H GLU 73 H GLU 73 4.230 -9.739 -8.986 573 HA GLU 73 HA GLU 73 5.838 -7.782 -10.452 574 1HB GLU 73 1HB GLU 73 4.917 -10.541 -11.032 575 2HB GLU 73 2HB GLU 73 5.711 -9.772 -12.361 576 1HG GLU 73 1HG GLU 73 7.784 -9.462 -10.682 577 2HG GLU 73 2HG GLU 73 6.953 -10.580 -9.660 578 HE2 GLU 73 HE GLU 73 8.422 -11.909 -13.161 579 H GLU 74 H GLU 74 2.521 -9.387 -11.068 580 HA GLU 74 HA GLU 74 1.817 -8.076 -13.482 581 1HB GLU 74 1HB GLU 74 -0.161 -8.784 -13.734 582 2HB GLU 74 2HB GLU 74 0.661 -10.031 -12.653 583 1HG GLU 74 1HG GLU 74 -0.850 -9.224 -10.667 584 2HG GLU 74 2HG GLU 74 -1.426 -7.853 -11.582 585 HE2 GLU 74 HE GLU 74 -3.234 -8.709 -11.010 586 H TRP 75 H TRP 75 1.137 -6.680 -10.310 587 HA TRP 75 HA TRP 75 -0.213 -4.257 -11.191 588 1HB TRP 75 1HB TRP 75 1.279 -4.309 -8.535 589 2HB TRP 75 2HB TRP 75 0.146 -3.185 -9.094 590 HD1 TRP 75 HD TRP 75 0.494 -5.810 -6.923 591 HE1 TRP 75 1HE TRP 75 -1.545 -7.546 -6.632 592 HE3 TRP 75 3HE TRP 75 -2.299 -4.833 -10.934 593 HZ2 TRP 75 2HZ TRP 75 -3.722 -8.138 -7.511 594 HZ3 TRP 75 3HZ TRP 75 -4.159 -6.199 -11.403 595 HH2 TRP 75 HH TRP 75 -5.001 -7.829 -9.729 596 H ASN 76 H ASN 76 3.143 -5.031 -10.318 597 HA ASN 76 HA ASN 76 4.558 -4.752 -11.938 598 1HB ASN 76 1HB ASN 76 3.607 -2.649 -13.186 599 2HB ASN 76 2HB ASN 76 4.393 -1.623 -11.868 600 1HD2 ASN 76 1HD2 ASN 76 6.746 -1.677 -12.177 601 2HD2 ASN 76 2HD2 ASN 76 7.547 -2.516 -13.626 602 H VAL 77 H VAL 77 5.451 -5.685 -10.468 603 HA VAL 77 HA VAL 77 7.377 -4.191 -8.683 604 HB VAL 77 HB VAL 77 5.813 -6.542 -7.430 605 1HG1 VAL 77 1HG1 VAL 77 8.199 -6.038 -6.458 606 2HG1 VAL 77 2HG1 VAL 77 7.425 -4.454 -6.032 607 3HG1 VAL 77 3HG1 VAL 77 6.801 -6.049 -5.342 608 1HG2 VAL 77 1HG2 VAL 77 4.693 -4.854 -5.972 609 2HG2 VAL 77 2HG2 VAL 77 5.287 -3.536 -6.967 610 3HG2 VAL 77 3HG2 VAL 77 4.075 -4.739 -7.563 611 H GLU 78 H GLU 78 9.044 -4.885 -9.969 612 HA GLU 78 HA GLU 78 10.063 -7.705 -9.501 613 1HB GLU 78 1HB GLU 78 11.786 -7.270 -11.345 614 2HB GLU 78 2HB GLU 78 10.299 -7.166 -11.968 615 1HG GLU 78 1HG GLU 78 11.778 -5.590 -12.734 616 2HG GLU 78 2HG GLU 78 10.252 -4.827 -12.297 617 HE2 GLU 78 HE GLU 78 10.274 -3.228 -11.029 618 H ALA 79 H ALA 79 9.977 -5.150 -7.782 619 HA ALA 79 HA ALA 79 12.562 -5.477 -6.552 620 1HB ALA 79 1HB ALA 79 12.918 -2.744 -6.313 621 2HB ALA 79 2HB ALA 79 13.089 -3.528 -7.934 622 3HB ALA 79 3HB ALA 79 11.549 -2.829 -7.456 623 H MET 80 H MET 80 12.708 -5.251 -4.670 624 HA MET 80 HA MET 80 10.615 -4.567 -2.617 625 1HB MET 80 1HB MET 80 13.467 -5.651 -2.305 626 2HB MET 80 2HB MET 80 12.630 -4.937 -0.988 627 1HG MET 80 1HG MET 80 12.351 -7.469 -1.515 628 2HG MET 80 2HG MET 80 10.855 -6.697 -0.766 629 1HE MET 80 1HE MET 80 8.835 -5.728 -2.382 630 2HE MET 80 2HE MET 80 8.706 -6.748 -3.899 631 3HE MET 80 3HE MET 80 8.366 -7.493 -2.320 632 HA PRO 81 HA PRO 81 9.435 -3.063 -2.512 633 1HB PRO 81 1HB PRO 81 9.227 -1.885 -0.025 634 2HB PRO 81 2HB PRO 81 10.338 -3.177 -0.222 635 1HG PRO 81 2HG PRO 81 10.773 -0.067 -0.020 636 2HG PRO 81 1HG PRO 81 11.838 -1.491 0.598 637 1HD PRO 81 1HD PRO 81 11.991 0.058 -1.946 638 2HD PRO 81 2HD PRO 81 13.138 -1.075 -1.181 639 H THR 82 H THR 82 8.004 -2.446 -2.884 640 HA THR 82 HA THR 82 7.542 0.304 -4.102 641 HB THR 82 HB THR 82 6.423 -2.607 -4.824 642 HG1 THR 82 1HG THR 82 8.648 -2.596 -5.346 643 1HG2 THR 82 1HG2 THR 82 6.248 -1.178 -7.204 644 2HG2 THR 82 2HG2 THR 82 5.209 -0.424 -5.995 645 3HG2 THR 82 3HG2 THR 82 6.705 0.352 -6.316 646 H PHE 83 H PHE 83 5.880 1.228 -3.791 647 HA PHE 83 HA PHE 83 3.421 0.531 -2.413 648 1HB PHE 83 1HB PHE 83 4.765 3.370 -2.443 649 2HB PHE 83 2HB PHE 83 3.075 2.748 -2.070 650 HD1 PHE 83 1HD PHE 83 6.791 2.547 -1.374 651 HD2 PHE 83 2HD PHE 83 2.851 2.016 0.311 652 HE1 PHE 83 1HE PHE 83 7.799 2.119 0.832 653 HE2 PHE 83 2HE PHE 83 3.803 1.862 2.557 654 HZ PHE 83 HZ PHE 83 6.397 1.922 2.842 655 H ILE 84 H ILE 84 1.847 0.703 -3.423 656 HA ILE 84 HA ILE 84 1.474 1.609 -6.334 657 HB ILE 84 HB ILE 84 0.739 -1.207 -5.240 658 1HG1 ILE 84 1HG1 ILE 84 1.697 -0.786 -8.037 659 2HG1 ILE 84 2HG1 ILE 84 2.790 0.125 -6.991 660 1HG2 ILE 84 1HG2 ILE 84 -0.482 -0.067 -7.767 661 2HG2 ILE 84 2HG2 ILE 84 -0.547 -1.800 -7.041 662 3HG2 ILE 84 3HG2 ILE 84 -1.323 -0.461 -6.283 663 1HD1 ILE 84 1HD1 ILE 84 3.387 -2.010 -5.710 664 2HD1 ILE 84 2HD1 ILE 84 2.114 -2.842 -6.654 665 3HD1 ILE 84 3HD1 ILE 84 3.470 -2.094 -7.453 666 H PHE 85 H PHE 85 -0.299 2.649 -6.582 667 HA PHE 85 HA PHE 85 -1.957 3.466 -4.172 668 1HB PHE 85 1HB PHE 85 -0.915 5.389 -6.388 669 2HB PHE 85 2HB PHE 85 -1.766 5.788 -4.959 670 HD1 PHE 85 1HD PHE 85 1.740 4.658 -5.944 671 HD2 PHE 85 2HD PHE 85 -0.936 5.850 -2.804 672 HE1 PHE 85 1HE PHE 85 3.588 5.043 -4.471 673 HE2 PHE 85 2HE PHE 85 1.007 6.272 -1.359 674 HZ PHE 85 HZ PHE 85 3.343 5.695 -2.312 675 H LEU 86 H LEU 86 -4.186 2.904 -4.681 676 HA LEU 86 HA LEU 86 -5.290 3.332 -7.466 677 1HB LEU 86 1HB LEU 86 -4.167 1.053 -6.643 678 2HB LEU 86 2HB LEU 86 -5.273 0.950 -5.400 679 HG LEU 86 HG LEU 86 -6.006 -0.644 -6.905 680 1HD1 LEU 86 1HD1 LEU 86 -8.237 -0.382 -7.323 681 2HD1 LEU 86 2HD1 LEU 86 -7.889 0.869 -6.166 682 3HD1 LEU 86 3HD1 LEU 86 -8.005 1.421 -7.760 683 1HD2 LEU 86 1HD2 LEU 86 -6.072 -0.744 -9.327 684 2HD2 LEU 86 2HD2 LEU 86 -6.073 0.890 -9.446 685 3HD2 LEU 86 3HD2 LEU 86 -4.616 0.107 -8.870 686 H LYS 87 H LYS 87 -6.967 4.402 -7.232 687 HA LYS 87 HA LYS 87 -8.735 4.945 -4.817 688 1HB LYS 87 1HB LYS 87 -7.305 6.657 -6.131 689 2HB LYS 87 2HB LYS 87 -8.276 6.595 -7.483 690 1HG LYS 87 1HG LYS 87 -10.044 7.692 -6.444 691 2HG LYS 87 2HG LYS 87 -9.763 7.038 -4.809 692 1HD LYS 87 1HD LYS 87 -7.731 8.422 -4.681 693 2HD LYS 87 2HD LYS 87 -8.070 9.250 -6.155 694 1HE LYS 87 1HE LYS 87 -10.150 10.128 -5.406 695 2HE LYS 87 2HE LYS 87 -9.985 9.276 -3.926 696 1HZ LYS 87 1HZ LYS 87 -9.197 11.480 -3.578 697 2HZ LYS 87 2HZ LYS 87 -7.917 10.486 -3.541 698 H ASP 88 H ASP 88 -11.075 4.992 -5.118 699 HA ASP 88 HA ASP 88 -12.609 3.561 -6.959 700 1HB ASP 88 1HB ASP 88 -14.314 4.813 -6.410 701 2HB ASP 88 2HB ASP 88 -13.475 4.936 -4.954 702 HD2 ASP 88 HD ASP 88 -12.602 8.394 -5.390 703 H GLY 89 H GLY 89 -10.577 4.760 -8.600 704 1HA GLY 89 1HA GLY 89 -11.975 5.697 -11.004 705 2HA GLY 89 2HA GLY 89 -10.953 6.982 -10.295 706 H LYS 90 H LYS 90 -9.903 3.689 -9.885 707 HA LYS 90 HA LYS 90 -8.539 2.103 -10.998 708 1HB LYS 90 1HB LYS 90 -8.540 4.009 -13.365 709 2HB LYS 90 2HB LYS 90 -7.507 2.717 -13.240 710 1HG LYS 90 1HG LYS 90 -9.158 2.417 -14.747 711 2HG LYS 90 2HG LYS 90 -9.492 1.201 -13.440 712 1HD LYS 90 1HD LYS 90 -11.192 3.808 -13.925 713 2HD LYS 90 2HD LYS 90 -11.403 2.376 -14.610 714 1HE LYS 90 1HE LYS 90 -11.927 1.029 -12.660 715 2HE LYS 90 2HE LYS 90 -11.416 2.288 -11.609 716 1HZ LYS 90 1HZ LYS 90 -12.848 3.889 -12.797 717 2HZ LYS 90 2HZ LYS 90 -13.618 2.995 -11.640 718 H LEU 91 H LEU 91 -6.222 2.293 -11.781 719 HA LEU 91 HA LEU 91 -4.551 3.049 -9.743 720 1HB LEU 91 1HB LEU 91 -4.009 1.395 -11.495 721 2HB LEU 91 2HB LEU 91 -3.641 2.668 -12.614 722 HG LEU 91 HG LEU 91 -1.864 3.298 -10.979 723 1HD1 LEU 91 1HD1 LEU 91 -2.797 1.982 -8.921 724 2HD1 LEU 91 2HD1 LEU 91 -2.130 0.494 -9.922 725 3HD1 LEU 91 3HD1 LEU 91 -1.075 1.908 -9.225 726 1HD2 LEU 91 1HD2 LEU 91 -0.272 1.534 -11.679 727 2HD2 LEU 91 2HD2 LEU 91 -1.606 0.806 -12.612 728 3HD2 LEU 91 3HD2 LEU 91 -1.094 2.451 -12.969 729 H VAL 92 H VAL 92 -4.416 4.943 -9.035 730 HA VAL 92 HA VAL 92 -3.964 7.508 -10.526 731 HB VAL 92 HB VAL 92 -3.723 8.568 -8.545 732 1HG1 VAL 92 1HG1 VAL 92 -6.186 6.724 -8.503 733 2HG1 VAL 92 2HG1 VAL 92 -6.060 8.219 -7.421 734 3HG1 VAL 92 3HG1 VAL 92 -6.053 8.282 -9.078 735 1HG2 VAL 92 1HG2 VAL 92 -4.143 6.056 -6.778 736 2HG2 VAL 92 2HG2 VAL 92 -2.569 6.961 -6.769 737 3HG2 VAL 92 3HG2 VAL 92 -4.059 7.696 -6.275 738 H ASP 93 H ASP 93 -1.602 5.472 -8.541 739 HA ASP 93 HA ASP 93 0.666 6.410 -10.110 740 1HB ASP 93 1HB ASP 93 -0.217 8.315 -8.120 741 2HB ASP 93 2HB ASP 93 0.960 7.310 -7.202 742 HD2 ASP 93 HD ASP 93 0.228 9.322 -9.840 743 H LYS 94 H LYS 94 2.814 5.956 -9.046 744 HA LYS 94 HA LYS 94 3.088 3.307 -7.869 745 1HB LYS 94 1HB LYS 94 4.336 2.346 -9.806 746 2HB LYS 94 2HB LYS 94 2.588 2.346 -9.937 747 1HG LYS 94 1HG LYS 94 4.140 4.589 -11.319 748 2HG LYS 94 2HG LYS 94 4.243 2.920 -12.011 749 1HD LYS 94 1HD LYS 94 1.833 2.783 -12.126 750 2HD LYS 94 2HD LYS 94 1.753 4.432 -11.530 751 1HE LYS 94 1HE LYS 94 2.953 3.689 -14.207 752 2HE LYS 94 2HE LYS 94 1.369 4.373 -13.877 753 1HZ LYS 94 1HZ LYS 94 3.880 5.738 -13.632 754 2HZ LYS 94 2HZ LYS 94 2.473 6.438 -13.086 755 H THR 95 H THR 95 5.117 3.308 -6.796 756 HA THR 95 HA THR 95 7.452 4.787 -7.686 757 HB THR 95 HB THR 95 6.045 5.867 -5.223 758 HG1 THR 95 1HG THR 95 5.624 6.447 -7.621 759 1HG2 THR 95 1HG2 THR 95 8.174 7.480 -5.196 760 2HG2 THR 95 2HG2 THR 95 8.726 5.779 -5.024 761 3HG2 THR 95 3HG2 THR 95 8.667 6.538 -6.711 762 H VAL 96 H VAL 96 9.111 4.121 -6.403 763 HA VAL 96 HA VAL 96 8.976 1.553 -4.700 764 HB VAL 96 HB VAL 96 8.980 0.643 -6.802 765 1HG1 VAL 96 1HG1 VAL 96 11.295 2.346 -7.910 766 2HG1 VAL 96 2HG1 VAL 96 10.162 1.228 -8.742 767 3HG1 VAL 96 3HG1 VAL 96 9.600 2.783 -8.101 768 1HG2 VAL 96 1HG2 VAL 96 11.944 0.426 -6.306 769 2HG2 VAL 96 2HG2 VAL 96 10.830 -0.339 -5.252 770 3HG2 VAL 96 3HG2 VAL 96 10.963 -0.821 -6.981 771 H GLY 97 H GLY 97 9.989 2.160 -2.952 772 1HA GLY 97 1HA GLY 97 12.570 2.818 -2.626 773 2HA GLY 97 2HA GLY 97 11.824 4.535 -2.764 774 H ALA 98 H ALA 98 13.126 4.279 -0.660 775 HA ALA 98 HA ALA 98 11.292 3.825 1.617 776 1HB ALA 98 1HB ALA 98 14.228 2.952 1.210 777 2HB ALA 98 2HB ALA 98 13.605 3.051 2.856 778 3HB ALA 98 3HB ALA 98 12.803 2.041 1.734 779 H ASP 99 H ASP 99 10.984 5.606 2.649 780 HA ASP 99 HA ASP 99 13.153 7.198 3.819 781 1HB ASP 99 1HB ASP 99 12.998 8.240 1.296 782 2HB ASP 99 2HB ASP 99 11.290 8.561 1.701 783 HD2 ASP 99 HD ASP 99 12.563 11.696 2.322 784 H LYS 100 H LYS 100 12.608 8.060 5.598 785 HA LYS 100 HA LYS 100 10.192 7.750 7.067 786 1HB LYS 100 1HB LYS 100 10.882 9.121 8.673 787 2HB LYS 100 2HB LYS 100 12.335 8.183 8.068 788 1HG LYS 100 1HG LYS 100 13.000 10.331 6.769 789 2HG LYS 100 2HG LYS 100 11.717 11.185 7.663 790 1HD LYS 100 1HD LYS 100 12.824 10.694 9.825 791 2HD LYS 100 2HD LYS 100 14.021 9.672 9.068 792 1HE LYS 100 1HE LYS 100 14.937 11.725 7.743 793 2HE LYS 100 2HE LYS 100 13.678 12.706 8.541 794 1HZ LYS 100 1HZ LYS 100 14.693 12.249 10.649 795 2HZ LYS 100 2HZ LYS 100 15.552 11.050 10.123 796 H ASP 101 H ASP 101 11.005 10.887 5.340 797 HA ASP 101 HA ASP 101 8.330 12.096 5.589 798 1HB ASP 101 1HB ASP 101 9.276 14.042 4.628 799 2HB ASP 101 2HB ASP 101 10.324 13.655 6.027 800 HD2 ASP 101 HD ASP 101 13.213 12.871 4.178 801 H GLY 102 H GLY 102 10.014 10.614 3.013 802 1HA GLY 102 1HA GLY 102 8.846 11.590 0.587 803 2HA GLY 102 2HA GLY 102 9.474 10.037 0.707 804 H LEU 103 H LEU 103 7.833 8.359 1.918 805 HA LEU 103 HA LEU 103 5.194 8.193 0.915 806 1HB LEU 103 1HB LEU 103 6.527 6.421 2.054 807 2HB LEU 103 2HB LEU 103 6.397 7.170 3.660 808 HG LEU 103 HG LEU 103 3.980 6.741 3.687 809 1HD1 LEU 103 1HD1 LEU 103 2.712 5.453 1.905 810 2HD1 LEU 103 2HD1 LEU 103 3.390 6.909 1.178 811 3HD1 LEU 103 3HD1 LEU 103 4.196 5.456 0.881 812 1HD2 LEU 103 1HD2 LEU 103 5.930 4.504 3.207 813 2HD2 LEU 103 2HD2 LEU 103 5.417 5.174 4.608 814 3HD2 LEU 103 3HD2 LEU 103 4.284 4.098 3.701 815 HA PRO 104 HA PRO 104 2.839 10.961 4.165 816 1HB PRO 104 1HB PRO 104 5.133 12.732 5.049 817 2HB PRO 104 2HB PRO 104 3.722 12.265 5.892 818 1HG PRO 104 1HG PRO 104 6.195 11.249 6.321 819 2HG PRO 104 2HG PRO 104 4.709 10.405 6.854 820 1HD PRO 104 1HD PRO 104 6.645 9.796 4.421 821 2HD PRO 104 2HD PRO 104 5.241 8.754 5.132 822 H THR 105 H THR 105 5.483 12.190 2.320 823 HA THR 105 HA THR 105 4.422 14.765 1.283 824 HB THR 105 HB THR 105 6.993 13.216 0.539 825 HG1 THR 105 1HG THR 105 6.730 13.982 2.760 826 1HG2 THR 105 1HG2 THR 105 7.734 15.559 -0.438 827 2HG2 THR 105 2HG2 THR 105 6.433 14.780 -1.281 828 3HG2 THR 105 3HG2 THR 105 6.036 16.130 -0.162 829 H LEU 106 H LEU 106 5.217 11.747 -0.639 830 HA LEU 106 HA LEU 106 3.552 11.881 -2.826 831 1HB LEU 106 1HB LEU 106 5.462 10.215 -2.078 832 2HB LEU 106 2HB LEU 106 4.253 9.366 -1.212 833 HG LEU 106 HG LEU 106 3.010 8.727 -3.184 834 1HD1 LEU 106 1HD1 LEU 106 3.981 9.107 -5.553 835 2HD1 LEU 106 2HD1 LEU 106 3.241 10.579 -4.697 836 3HD1 LEU 106 3HD1 LEU 106 5.008 10.286 -4.945 837 1HD2 LEU 106 1HD2 LEU 106 4.482 7.282 -4.301 838 2HD2 LEU 106 2HD2 LEU 106 5.963 8.090 -3.680 839 3HD2 LEU 106 3HD2 LEU 106 4.928 7.161 -2.613 840 H VAL 107 H VAL 107 2.506 10.433 0.103 841 HA VAL 107 HA VAL 107 -0.368 10.066 -0.761 842 HB VAL 107 HB VAL 107 0.896 9.935 1.989 843 1HG1 VAL 107 1HG1 VAL 107 -1.740 10.327 2.242 844 2HG1 VAL 107 2HG1 VAL 107 -1.830 8.858 1.284 845 3HG1 VAL 107 3HG1 VAL 107 -1.162 9.047 2.898 846 1HG2 VAL 107 1HG2 VAL 107 0.326 7.315 1.589 847 2HG2 VAL 107 2HG2 VAL 107 -0.154 7.844 0.008 848 3HG2 VAL 107 3HG2 VAL 107 1.514 7.957 0.457 849 H ALA 108 H ALA 108 1.045 12.677 1.386 850 HA ALA 108 HA ALA 108 -1.287 14.246 1.654 851 1HB ALA 108 1HB ALA 108 0.214 16.220 1.377 852 2HB ALA 108 2HB ALA 108 0.675 15.007 2.604 853 3HB ALA 108 3HB ALA 108 1.600 15.133 1.027 854 H LYS 109 H LYS 109 0.774 14.239 -1.162 855 HA LYS 109 HA LYS 109 -0.577 16.099 -2.876 856 1HB LYS 109 1HB LYS 109 1.260 13.818 -3.849 857 2HB LYS 109 2HB LYS 109 0.701 15.163 -4.813 858 1HG LYS 109 1HG LYS 109 1.643 16.898 -3.519 859 2HG LYS 109 2HG LYS 109 2.338 15.717 -2.287 860 1HD LYS 109 1HD LYS 109 3.689 14.695 -4.205 861 2HD LYS 109 2HD LYS 109 3.125 16.036 -5.236 862 1HE LYS 109 1HE LYS 109 4.511 17.641 -3.922 863 2HE LYS 109 2HE LYS 109 4.440 16.653 -2.575 864 1HZ LYS 109 1HZ LYS 109 6.475 16.902 -3.806 865 2HZ LYS 109 2HZ LYS 109 6.228 15.386 -3.270 866 H HIS 110 H HIS 110 -1.018 12.509 -2.620 867 HA HIS 110 HA HIS 110 -2.932 12.166 -4.748 868 1HB HIS 110 1HB HIS 110 -2.082 10.139 -2.585 869 2HB HIS 110 2HB HIS 110 -3.075 9.884 -3.813 870 HD1 HIS 110 1HD HIS 110 -1.125 11.664 -6.147 871 HD2 HIS 110 2HD HIS 110 -0.284 8.423 -3.527 872 HE1 HIS 110 1HE HIS 110 1.132 10.704 -6.748 873 H ALA 111 H ALA 111 -3.173 11.947 -1.155 874 HA ALA 111 HA ALA 111 -5.956 11.726 -0.881 875 1HB ALA 111 1HB ALA 111 -5.534 12.140 1.593 876 2HB ALA 111 2HB ALA 111 -4.190 11.240 0.901 877 3HB ALA 111 3HB ALA 111 -4.049 13.022 1.195 878 H THR 112 H THR 112 -4.399 14.853 -1.212 879 HA THR 112 HA THR 112 -6.772 16.460 -0.576 880 HB THR 112 HB THR 112 -4.318 17.288 -2.060 881 HG1 THR 112 1HG THR 112 -3.940 16.449 0.042 882 1HG2 THR 112 1HG2 THR 112 -6.430 18.996 -1.946 883 2HG2 THR 112 2HG2 THR 112 -5.927 19.327 -0.270 884 3HG2 THR 112 3HG2 THR 112 -4.849 19.662 -1.654 885 H ALA 113 H ALA 113 -5.506 16.575 -4.026 886 HA ALA 113 HA ALA 113 -8.105 16.853 -5.297 887 1HB ALA 113 1HB ALA 113 -5.789 15.482 -6.485 888 2HB ALA 113 2HB ALA 113 -7.144 16.073 -7.343 889 3HB ALA 113 3HB ALA 113 -6.139 17.311 -6.460 890 HXT ALA 113 HO ALA 113 -7.931 12.925 -5.428 Start of MODEL 4 1 1H ALA 1 1H ALA 1 -14.495 7.075 16.966 2 2H ALA 1 2H ALA 1 -13.329 7.772 17.771 3 HA ALA 1 HA ALA 1 -11.626 7.025 16.365 4 1HB ALA 1 1HB ALA 1 -11.646 4.636 16.471 5 2HB ALA 1 2HB ALA 1 -12.528 5.159 17.971 6 3HB ALA 1 3HB ALA 1 -13.343 4.433 16.613 7 H GLU 2 H GLU 2 -10.987 7.341 14.592 8 HA GLU 2 HA GLU 2 -12.155 6.364 12.057 9 1HB GLU 2 1HB GLU 2 -13.724 8.332 12.597 10 2HB GLU 2 2HB GLU 2 -12.427 9.389 12.357 11 1HG GLU 2 1HG GLU 2 -11.965 8.448 10.010 12 2HG GLU 2 2HG GLU 2 -13.534 7.679 10.055 13 HE2 GLU 2 HE GLU 2 -15.018 10.385 8.712 14 H GLU 3 H GLU 3 -10.424 5.759 11.360 15 HA GLU 3 HA GLU 3 -8.085 7.403 10.640 16 1HB GLU 3 1HB GLU 3 -6.287 6.749 11.944 17 2HB GLU 3 2HB GLU 3 -7.551 7.243 13.059 18 1HG GLU 3 1HG GLU 3 -8.395 4.941 13.577 19 2HG GLU 3 2HG GLU 3 -7.089 4.234 12.726 20 HE2 GLU 3 HE GLU 3 -6.088 6.295 16.048 21 H GLY 4 H GLY 4 -6.469 6.293 9.888 22 1HA GLY 4 1HA GLY 4 -6.913 4.219 7.794 23 2HA GLY 4 2HA GLY 4 -5.449 5.100 8.046 24 H GLN 5 H GLN 5 -5.643 2.324 7.668 25 HA GLN 5 HA GLN 5 -4.470 1.196 10.125 26 1HB GLN 5 1HB GLN 5 -6.039 -0.228 10.699 27 2HB GLN 5 2HB GLN 5 -7.067 1.111 10.149 28 1HG GLN 5 1HG GLN 5 -7.462 -0.187 8.041 29 2HG GLN 5 2HG GLN 5 -6.429 -1.545 8.703 30 1HE2 GLN 5 1HE2 GLN 5 -7.672 -3.011 9.866 31 2HE2 GLN 5 2HE2 GLN 5 -9.328 -2.600 10.488 32 H VAL 6 H VAL 6 -2.800 0.023 9.591 33 HA VAL 6 HA VAL 6 -2.323 -1.094 6.846 34 HB VAL 6 HB VAL 6 -0.446 -1.035 9.188 35 1HG1 VAL 6 1HG1 VAL 6 1.334 -1.068 7.524 36 2HG1 VAL 6 2HG1 VAL 6 0.342 -2.505 7.368 37 3HG1 VAL 6 3HG1 VAL 6 0.181 -1.230 6.182 38 1HG2 VAL 6 1HG2 VAL 6 -0.530 1.249 7.366 39 2HG2 VAL 6 2HG2 VAL 6 -1.141 1.297 9.032 40 3HG2 VAL 6 3HG2 VAL 6 0.603 1.102 8.699 41 H ILE 7 H ILE 7 -2.998 -3.011 6.667 42 HA ILE 7 HA ILE 7 -3.383 -5.001 8.822 43 HB ILE 7 HB ILE 7 -5.321 -3.948 7.982 44 1HG1 ILE 7 1HG1 ILE 7 -5.843 -6.029 9.373 45 2HG1 ILE 7 2HG1 ILE 7 -6.868 -5.851 7.974 46 1HG2 ILE 7 1HG2 ILE 7 -4.759 -4.064 5.375 47 2HG2 ILE 7 2HG2 ILE 7 -5.372 -5.672 5.542 48 3HG2 ILE 7 3HG2 ILE 7 -6.358 -4.368 5.977 49 1HD1 ILE 7 1HD1 ILE 7 -5.191 -7.428 6.695 50 2HD1 ILE 7 2HD1 ILE 7 -4.528 -7.735 8.288 51 3HD1 ILE 7 3HD1 ILE 7 -6.232 -8.127 7.881 52 H ALA 8 H ALA 8 -1.963 -6.510 8.698 53 HA ALA 8 HA ALA 8 -0.218 -7.478 6.662 54 1HB ALA 8 1HB ALA 8 -0.048 -9.341 8.347 55 2HB ALA 8 2HB ALA 8 -0.218 -7.851 9.188 56 3HB ALA 8 3HB ALA 8 -1.563 -8.982 8.975 57 H CYS 9 H CYS 9 -0.326 -8.577 4.845 58 HA CYS 9 HA CYS 9 -2.698 -10.310 4.178 59 1HB CYS 9 1HB CYS 9 -1.351 -8.203 2.358 60 2HB CYS 9 2HB CYS 9 -2.596 -9.284 1.946 61 HG CYS 9 HG CYS 9 -4.409 -8.681 3.470 62 H HIS 10 H HIS 10 -2.435 -11.920 2.526 63 HA HIS 10 HA HIS 10 0.301 -12.918 1.960 64 1HB HIS 10 1HB HIS 10 -1.645 -14.226 3.992 65 2HB HIS 10 2HB HIS 10 -0.415 -15.193 3.326 66 HD1 HIS 10 1HD HIS 10 2.233 -14.624 3.909 67 HD2 HIS 10 2HD HIS 10 -0.792 -12.412 5.777 68 HE1 HIS 10 1HE HIS 10 3.354 -12.866 5.675 69 H THR 11 H THR 11 -2.992 -12.940 0.966 70 HA THR 11 HA THR 11 -2.785 -15.532 -0.565 71 HB THR 11 HB THR 11 -4.903 -16.399 0.635 72 HG1 THR 11 1HG THR 11 -5.100 -15.723 2.840 73 1HG2 THR 11 1HG2 THR 11 -2.490 -17.449 0.987 74 2HG2 THR 11 2HG2 THR 11 -2.342 -16.427 2.386 75 3HG2 THR 11 3HG2 THR 11 -3.516 -17.608 2.389 76 H VAL 12 H VAL 12 -5.227 -16.057 -1.597 77 HA VAL 12 HA VAL 12 -5.982 -13.828 -3.114 78 HB VAL 12 HB VAL 12 -6.248 -15.806 -4.025 79 1HG1 VAL 12 1HG1 VAL 12 -8.582 -16.471 -2.028 80 2HG1 VAL 12 2HG1 VAL 12 -8.015 -17.471 -3.383 81 3HG1 VAL 12 3HG1 VAL 12 -6.979 -17.242 -2.012 82 1HG2 VAL 12 1HG2 VAL 12 -7.727 -14.079 -4.891 83 2HG2 VAL 12 2HG2 VAL 12 -8.380 -15.781 -5.120 84 3HG2 VAL 12 3HG2 VAL 12 -9.018 -14.590 -3.936 85 H ASP 13 H ASP 13 -6.770 -14.367 -0.020 86 HA ASP 13 HA ASP 13 -9.327 -12.937 0.421 87 1HB ASP 13 1HB ASP 13 -7.252 -13.201 2.653 88 2HB ASP 13 2HB ASP 13 -8.941 -12.689 2.682 89 HD2 ASP 13 HD ASP 13 -6.665 -15.280 2.827 90 H THR 14 H THR 14 -5.933 -11.878 0.579 91 HA THR 14 HA THR 14 -6.617 -9.115 0.740 92 HB THR 14 HB THR 14 -4.427 -10.093 1.151 93 HG1 THR 14 1HG THR 14 -3.736 -7.987 1.161 94 1HG2 THR 14 1HG2 THR 14 -3.787 -10.982 -1.080 95 2HG2 THR 14 2HG2 THR 14 -4.058 -9.317 -1.764 96 3HG2 THR 14 3HG2 THR 14 -2.741 -9.685 -0.629 97 H TRP 15 H TRP 15 -6.700 -11.176 -2.002 98 HA TRP 15 HA TRP 15 -7.079 -9.071 -3.985 99 1HB TRP 15 1HB TRP 15 -7.258 -12.069 -4.069 100 2HB TRP 15 2HB TRP 15 -8.461 -11.325 -4.999 101 HD1 TRP 15 HD TRP 15 -4.878 -12.109 -5.023 102 HE1 TRP 15 1HE TRP 15 -3.670 -11.248 -7.003 103 HE3 TRP 15 3HE TRP 15 -8.584 -9.291 -6.882 104 HZ2 TRP 15 2HZ TRP 15 -4.398 -10.055 -9.502 105 HZ3 TRP 15 3HZ TRP 15 -7.966 -7.824 -8.927 106 HH2 TRP 15 HH TRP 15 -6.104 -8.208 -10.134 107 H LYS 16 H LYS 16 -9.279 -10.818 -1.919 108 HA LYS 16 HA LYS 16 -11.714 -9.315 -2.806 109 1HB LYS 16 1HB LYS 16 -11.184 -10.446 -0.104 110 2HB LYS 16 2HB LYS 16 -12.649 -9.671 -0.573 111 1HG LYS 16 1HG LYS 16 -12.944 -11.457 -2.537 112 2HG LYS 16 2HG LYS 16 -11.503 -12.270 -2.044 113 1HD LYS 16 1HD LYS 16 -14.014 -11.902 -0.098 114 2HD LYS 16 2HD LYS 16 -13.820 -13.084 -1.259 115 1HE LYS 16 1HE LYS 16 -11.665 -14.098 -0.100 116 2HE LYS 16 2HE LYS 16 -11.599 -12.576 0.859 117 1HZ LYS 16 1HZ LYS 16 -13.507 -13.286 2.065 118 2HZ LYS 16 2HZ LYS 16 -13.867 -14.453 0.938 119 H GLU 17 H GLU 17 -9.349 -8.588 -0.297 120 HA GLU 17 HA GLU 17 -10.682 -6.212 0.760 121 1HB GLU 17 1HB GLU 17 -7.681 -7.289 0.951 122 2HB GLU 17 2HB GLU 17 -8.418 -5.911 2.040 123 1HG GLU 17 1HG GLU 17 -10.061 -7.370 2.948 124 2HG GLU 17 2HG GLU 17 -9.514 -8.741 1.973 125 HE2 GLU 17 HE GLU 17 -7.118 -7.068 4.864 126 H HIS 18 H HIS 18 -7.759 -6.432 -1.327 127 HA HIS 18 HA HIS 18 -7.286 -3.634 -1.788 128 1HB HIS 18 1HB HIS 18 -5.742 -5.731 -2.129 129 2HB HIS 18 2HB HIS 18 -6.772 -6.258 -3.340 130 HD1 HIS 18 1HD HIS 18 -6.268 -5.430 -5.986 131 HD2 HIS 18 2HD HIS 18 -4.205 -3.422 -2.739 132 HE1 HIS 18 1HE HIS 18 -4.649 -3.645 -6.881 133 H PHE 19 H PHE 19 -8.963 -6.043 -3.761 134 HA PHE 19 HA PHE 19 -9.680 -4.230 -5.870 135 1HB PHE 19 1HB PHE 19 -9.160 -6.441 -6.459 136 2HB PHE 19 2HB PHE 19 -10.468 -7.064 -5.475 137 HD1 PHE 19 1HD PHE 19 -12.844 -6.608 -6.139 138 HD2 PHE 19 2HD PHE 19 -9.608 -5.546 -8.806 139 HE1 PHE 19 1HE PHE 19 -14.174 -7.275 -8.090 140 HE2 PHE 19 2HE PHE 19 -11.142 -5.849 -10.726 141 HZ PHE 19 HZ PHE 19 -13.456 -6.739 -10.398 142 H GLU 20 H GLU 20 -11.866 -5.718 -3.481 143 HA GLU 20 HA GLU 20 -14.321 -4.109 -3.830 144 1HB GLU 20 1HB GLU 20 -13.443 -5.531 -1.302 145 2HB GLU 20 2HB GLU 20 -14.949 -4.738 -1.518 146 1HG GLU 20 1HG GLU 20 -14.266 -6.797 -3.583 147 2HG GLU 20 2HG GLU 20 -14.498 -7.383 -2.006 148 HE2 GLU 20 HE GLU 20 -18.013 -7.140 -2.076 149 H LYS 21 H LYS 21 -11.674 -3.106 -1.558 150 HA LYS 21 HA LYS 21 -12.992 -0.659 -0.740 151 1HB LYS 21 1HB LYS 21 -10.079 -1.402 -0.790 152 2HB LYS 21 2HB LYS 21 -10.550 -0.047 0.182 153 1HG LYS 21 1HG LYS 21 -11.348 -2.760 0.851 154 2HG LYS 21 2HG LYS 21 -10.093 -1.718 1.629 155 1HD LYS 21 1HD LYS 21 -11.987 -0.189 2.365 156 2HD LYS 21 2HD LYS 21 -13.175 -1.283 1.684 157 1HE LYS 21 1HE LYS 21 -13.191 -2.196 3.884 158 2HE LYS 21 2HE LYS 21 -11.942 -3.213 3.207 159 1HZ LYS 21 1HZ LYS 21 -10.287 -1.575 3.837 160 2HZ LYS 21 2HZ LYS 21 -11.419 -0.594 4.359 161 H GLY 22 H GLY 22 -10.332 -1.348 -2.985 162 1HA GLY 22 1HA GLY 22 -9.831 1.291 -4.005 163 2HA GLY 22 2HA GLY 22 -9.384 -0.253 -4.750 164 H LYS 23 H LYS 23 -11.335 -1.111 -6.146 165 HA LYS 23 HA LYS 23 -13.090 0.777 -7.527 166 1HB LYS 23 1HB LYS 23 -11.438 -0.658 -8.869 167 2HB LYS 23 2HB LYS 23 -12.335 -2.101 -8.253 168 1HG LYS 23 1HG LYS 23 -14.483 -0.759 -9.073 169 2HG LYS 23 2HG LYS 23 -13.462 0.102 -9.990 170 1HD LYS 23 1HD LYS 23 -14.005 -2.862 -10.191 171 2HD LYS 23 2HD LYS 23 -14.469 -1.653 -11.253 172 1HE LYS 23 1HE LYS 23 -11.422 -2.334 -10.882 173 2HE LYS 23 2HE LYS 23 -12.348 -3.215 -12.081 174 1HZ LYS 23 1HZ LYS 23 -12.947 -1.261 -13.042 175 2HZ LYS 23 2HZ LYS 23 -11.725 -0.396 -12.179 176 H GLY 24 H GLY 24 -14.505 0.844 -6.123 177 1HA GLY 24 1HA GLY 24 -16.818 -0.552 -6.090 178 2HA GLY 24 2HA GLY 24 -15.993 -1.330 -4.632 179 H SER 25 H SER 25 -14.687 1.068 -3.883 180 HA SER 25 HA SER 25 -16.854 2.585 -2.370 181 1HB SER 25 1HB SER 25 -14.389 1.588 -0.910 182 2HB SER 25 2HB SER 25 -15.615 2.686 -0.389 183 HG SER 25 HG SER 25 -16.347 0.293 -1.499 184 H GLN 26 H GLN 26 -16.737 4.679 -2.433 185 HA GLN 26 HA GLN 26 -14.830 6.404 -3.760 186 1HB GLN 26 1HB GLN 26 -16.992 7.140 -1.688 187 2HB GLN 26 2HB GLN 26 -15.870 8.297 -2.366 188 1HG GLN 26 1HG GLN 26 -17.661 8.572 -3.780 189 2HG GLN 26 2HG GLN 26 -16.730 7.600 -4.729 190 1HE2 GLN 26 1HE2 GLN 26 -17.253 5.315 -5.161 191 2HE2 GLN 26 2HE2 GLN 26 -19.008 4.963 -5.070 192 H LYS 27 H LYS 27 -12.928 5.298 -2.809 193 HA LYS 27 HA LYS 27 -11.495 6.988 -0.840 194 1HB LYS 27 1HB LYS 27 -10.950 5.170 0.717 195 2HB LYS 27 2HB LYS 27 -12.600 5.424 0.658 196 1HG LYS 27 1HG LYS 27 -12.973 3.353 -0.812 197 2HG LYS 27 2HG LYS 27 -11.284 3.118 -0.868 198 1HD LYS 27 1HD LYS 27 -12.287 1.635 0.895 199 2HD LYS 27 2HD LYS 27 -11.257 2.832 1.657 200 1HE LYS 27 1HE LYS 27 -13.341 4.327 2.293 201 2HE LYS 27 2HE LYS 27 -14.279 2.984 1.486 202 1HZ LYS 27 1HZ LYS 27 -14.131 2.506 3.926 203 2HZ LYS 27 2HZ LYS 27 -13.262 1.479 3.170 204 H LEU 28 H LEU 28 -9.558 6.305 -0.501 205 HA LEU 28 HA LEU 28 -7.937 5.482 -2.789 206 1HB LEU 28 1HB LEU 28 -7.738 7.880 -1.949 207 2HB LEU 28 2HB LEU 28 -7.174 7.099 -0.474 208 HG LEU 28 HG LEU 28 -5.116 6.194 -1.541 209 1HD1 LEU 28 1HD1 LEU 28 -4.524 7.318 -3.945 210 2HD1 LEU 28 2HD1 LEU 28 -5.867 6.016 -3.901 211 3HD1 LEU 28 3HD1 LEU 28 -6.205 7.717 -3.988 212 1HD2 LEU 28 1HD2 LEU 28 -5.269 9.242 -1.946 213 2HD2 LEU 28 2HD2 LEU 28 -5.127 8.360 -0.346 214 3HD2 LEU 28 3HD2 LEU 28 -3.934 8.254 -1.629 215 H ILE 29 H ILE 29 -6.239 4.026 -2.548 216 HA ILE 29 HA ILE 29 -5.980 2.413 -0.152 217 HB ILE 29 HB ILE 29 -6.465 0.301 -0.827 218 1HG1 ILE 29 1HG1 ILE 29 -7.371 0.677 -3.592 219 2HG1 ILE 29 2HG1 ILE 29 -5.633 0.888 -3.364 220 1HG2 ILE 29 1HG2 ILE 29 -8.794 0.338 -1.475 221 2HG2 ILE 29 2HG2 ILE 29 -8.591 1.581 -0.186 222 3HG2 ILE 29 3HG2 ILE 29 -8.693 2.068 -1.839 223 1HD1 ILE 29 1HD1 ILE 29 -7.091 -1.515 -2.580 224 2HD1 ILE 29 2HD1 ILE 29 -6.126 -1.373 -3.986 225 3HD1 ILE 29 3HD1 ILE 29 -5.312 -1.275 -2.336 226 H VAL 30 H VAL 30 -4.064 2.141 0.235 227 HA VAL 30 HA VAL 30 -1.916 2.668 -1.743 228 HB VAL 30 HB VAL 30 -2.042 3.695 1.033 229 1HG1 VAL 30 1HG1 VAL 30 0.226 3.288 0.850 230 2HG1 VAL 30 2HG1 VAL 30 0.309 4.025 -0.794 231 3HG1 VAL 30 3HG1 VAL 30 0.032 5.091 0.704 232 1HG2 VAL 30 1HG2 VAL 30 -2.342 5.962 0.171 233 2HG2 VAL 30 2HG2 VAL 30 -2.029 5.459 -1.425 234 3HG2 VAL 30 3HG2 VAL 30 -3.534 4.898 -0.604 235 H VAL 31 H VAL 31 -0.466 0.950 -1.802 236 HA VAL 31 HA VAL 31 -0.536 -1.208 0.313 237 HB VAL 31 HB VAL 31 -2.400 -1.634 -1.108 238 1HG1 VAL 31 1HG1 VAL 31 -0.508 -1.387 -3.503 239 2HG1 VAL 31 2HG1 VAL 31 -1.879 -2.266 -3.557 240 3HG1 VAL 31 3HG1 VAL 31 -2.174 -0.662 -3.065 241 1HG2 VAL 31 1HG2 VAL 31 -1.785 -4.058 -1.800 242 2HG2 VAL 31 2HG2 VAL 31 -0.061 -3.500 -1.736 243 3HG2 VAL 31 3HG2 VAL 31 -1.109 -3.642 -0.290 244 H ASP 32 H ASP 32 1.408 -1.588 0.869 245 HA ASP 32 HA ASP 32 3.811 -1.421 -0.787 246 1HB ASP 32 1HB ASP 32 3.404 -1.042 1.860 247 2HB ASP 32 2HB ASP 32 3.392 -2.857 1.993 248 HD2 ASP 32 HD ASP 32 6.888 -1.328 0.514 249 H PHE 33 H PHE 33 5.089 -3.186 -1.377 250 HA PHE 33 HA PHE 33 4.115 -6.013 -1.502 251 1HB PHE 33 1HB PHE 33 4.996 -4.567 -3.921 252 2HB PHE 33 2HB PHE 33 5.120 -6.058 -3.852 253 HD1 PHE 33 1HD PHE 33 2.767 -7.533 -3.413 254 HD2 PHE 33 2HD PHE 33 2.601 -3.235 -4.160 255 HE1 PHE 33 1HE PHE 33 0.402 -7.690 -3.980 256 HE2 PHE 33 2HE PHE 33 0.223 -3.480 -4.292 257 HZ PHE 33 HZ PHE 33 -0.884 -5.597 -4.061 258 H THR 34 H THR 34 5.835 -7.147 -0.529 259 HA THR 34 HA THR 34 8.532 -6.001 -0.470 260 HB THR 34 HB THR 34 7.590 -4.471 0.957 261 HG1 THR 34 1HG THR 34 8.986 -6.379 2.461 262 1HG2 THR 34 1HG2 THR 34 6.647 -6.726 2.931 263 2HG2 THR 34 2HG2 THR 34 6.770 -5.063 3.418 264 3HG2 THR 34 3HG2 THR 34 5.581 -5.517 2.131 265 H ALA 35 H ALA 35 9.603 -7.977 -0.206 266 HA ALA 35 HA ALA 35 8.488 -10.454 1.068 267 1HB ALA 35 1HB ALA 35 11.376 -10.785 0.915 268 2HB ALA 35 2HB ALA 35 10.532 -10.382 -0.553 269 3HB ALA 35 3HB ALA 35 11.295 -9.120 0.340 270 H SER 36 H SER 36 8.042 -10.603 3.141 271 HA SER 36 HA SER 36 8.213 -8.963 5.407 272 1HB SER 36 1HB SER 36 7.067 -11.208 5.420 273 2HB SER 36 2HB SER 36 8.630 -11.912 5.577 274 HG SER 36 HG SER 36 6.915 -10.941 7.402 275 H TRP 37 H TRP 37 10.812 -11.019 4.631 276 HA TRP 37 HA TRP 37 12.855 -10.139 6.644 277 1HB TRP 37 1HB TRP 37 14.406 -11.318 5.070 278 2HB TRP 37 2HB TRP 37 13.147 -12.242 5.860 279 HD1 TRP 37 HD TRP 37 11.106 -12.992 4.053 280 HE1 TRP 37 1HE TRP 37 11.103 -13.520 1.514 281 HE3 TRP 37 3HE TRP 37 15.470 -10.638 2.975 282 HZ2 TRP 37 2HZ TRP 37 12.928 -13.270 -0.591 283 HZ3 TRP 37 3HZ TRP 37 16.085 -10.480 0.598 284 HH2 TRP 37 HH TRP 37 14.892 -11.817 -1.134 285 H CYS 38 H CYS 38 12.803 -7.894 6.422 286 HA CYS 38 HA CYS 38 14.658 -6.739 4.487 287 1HB CYS 38 1HB CYS 38 12.729 -6.606 2.840 288 2HB CYS 38 2HB CYS 38 11.592 -5.975 4.181 289 HG CYS 38 HG CYS 38 12.483 -4.162 2.213 290 HA PRO 39 HA PRO 39 14.834 -4.096 8.357 291 1HB PRO 39 1HB PRO 39 17.571 -3.397 7.195 292 2HB PRO 39 2HB PRO 39 17.147 -3.643 8.894 293 1HG PRO 39 1HG PRO 39 18.372 -5.631 7.347 294 2HG PRO 39 2HG PRO 39 16.976 -6.332 8.297 295 1HD PRO 39 1HD PRO 39 16.849 -5.349 5.382 296 2HD PRO 39 2HD PRO 39 16.409 -6.976 6.023 297 HA PRO 40 HA PRO 40 15.034 -0.115 5.623 298 1HB PRO 40 1HB PRO 40 14.234 -1.059 2.849 299 2HB PRO 40 2HB PRO 40 15.101 0.400 3.311 300 1HG PRO 40 1HG PRO 40 16.541 -1.787 2.623 301 2HG PRO 40 2HG PRO 40 17.069 -0.811 3.997 302 1HD PRO 40 1HD PRO 40 15.623 -3.490 4.038 303 2HD PRO 40 2HD PRO 40 17.026 -3.021 5.075 304 H CYS 41 H CYS 41 12.727 -2.689 4.591 305 HA CYS 41 HA CYS 41 10.285 -1.077 5.220 306 1HB CYS 41 1HB CYS 41 10.162 -3.937 4.420 307 2HB CYS 41 2HB CYS 41 8.896 -2.841 4.582 308 HG CYS 41 HG CYS 41 9.068 -3.017 2.063 309 H LYS 42 H LYS 42 12.234 -3.238 7.159 310 HA LYS 42 HA LYS 42 10.287 -3.040 9.268 311 1HB LYS 42 1HB LYS 42 12.585 -4.560 9.227 312 2HB LYS 42 2HB LYS 42 13.341 -3.188 9.888 313 1HG LYS 42 1HG LYS 42 11.818 -3.214 11.804 314 2HG LYS 42 2HG LYS 42 10.939 -4.633 11.035 315 1HD LYS 42 1HD LYS 42 12.971 -6.066 11.361 316 2HD LYS 42 2HD LYS 42 13.992 -4.631 11.620 317 1HE LYS 42 1HE LYS 42 13.537 -6.002 13.690 318 2HE LYS 42 2HE LYS 42 12.784 -4.421 13.954 319 1HZ LYS 42 1HZ LYS 42 11.309 -6.884 13.583 320 2HZ LYS 42 2HZ LYS 42 11.473 -6.025 14.855 321 H MET 43 H MET 43 12.755 -0.432 8.710 322 HA MET 43 HA MET 43 11.593 1.440 10.649 323 1HB MET 43 1HB MET 43 12.855 3.097 9.624 324 2HB MET 43 2HB MET 43 13.875 1.645 9.951 325 1HG MET 43 1HG MET 43 13.646 1.302 7.273 326 2HG MET 43 2HG MET 43 13.254 2.970 7.262 327 1HE MET 43 1HE MET 43 15.426 4.032 6.321 328 2HE MET 43 2HE MET 43 17.037 3.178 6.503 329 3HE MET 43 3HE MET 43 15.662 2.286 5.712 330 H ILE 44 H ILE 44 11.023 1.269 7.089 331 HA ILE 44 HA ILE 44 8.699 2.830 7.165 332 HB ILE 44 HB ILE 44 10.001 1.269 5.171 333 1HG1 ILE 44 1HG1 ILE 44 8.966 2.504 3.472 334 2HG1 ILE 44 2HG1 ILE 44 7.696 3.098 4.566 335 1HG2 ILE 44 1HG2 ILE 44 7.071 0.484 4.665 336 2HG2 ILE 44 2HG2 ILE 44 8.444 -0.005 3.762 337 3HG2 ILE 44 3HG2 ILE 44 8.314 -0.574 5.358 338 1HD1 ILE 44 1HD1 ILE 44 9.566 4.469 5.906 339 2HD1 ILE 44 2HD1 ILE 44 10.671 3.900 4.635 340 3HD1 ILE 44 3HD1 ILE 44 9.362 4.930 4.211 341 H ALA 45 H ALA 45 8.533 -0.481 8.247 342 HA ALA 45 HA ALA 45 5.779 -0.539 8.478 343 1HB ALA 45 1HB ALA 45 7.282 -2.030 10.717 344 2HB ALA 45 2HB ALA 45 5.756 -2.431 9.957 345 3HB ALA 45 3HB ALA 45 7.182 -2.646 9.019 346 HA PRO 46 HA PRO 46 5.290 2.132 12.590 347 1HB PRO 46 1HB PRO 46 8.095 3.213 12.618 348 2HB PRO 46 2HB PRO 46 6.918 3.122 13.957 349 1HG PRO 46 1HG PRO 46 8.881 1.177 13.729 350 2HG PRO 46 2HG PRO 46 7.129 0.603 14.034 351 1HD PRO 46 1HD PRO 46 8.671 0.966 11.450 352 2HD PRO 46 2HD PRO 46 7.938 -0.556 11.980 353 H ILE 47 H ILE 47 7.593 3.320 9.834 354 HA ILE 47 HA ILE 47 6.434 6.064 9.947 355 HB ILE 47 HB ILE 47 8.037 4.509 7.810 356 1HG1 ILE 47 1HG1 ILE 47 9.413 5.106 9.420 357 2HG1 ILE 47 2HG1 ILE 47 9.854 6.226 8.307 358 1HG2 ILE 47 1HG2 ILE 47 6.855 5.795 6.282 359 2HG2 ILE 47 2HG2 ILE 47 6.708 7.196 7.285 360 3HG2 ILE 47 3HG2 ILE 47 8.251 6.787 6.542 361 1HD1 ILE 47 1HD1 ILE 47 9.908 7.449 10.346 362 2HD1 ILE 47 2HD1 ILE 47 8.273 7.957 9.549 363 3HD1 ILE 47 3HD1 ILE 47 8.366 6.827 10.956 364 H PHE 48 H PHE 48 5.636 3.220 7.892 365 HA PHE 48 HA PHE 48 3.134 4.351 6.661 366 1HB PHE 48 1HB PHE 48 4.553 2.193 6.096 367 2HB PHE 48 2HB PHE 48 3.664 1.464 7.302 368 HD1 PHE 48 1HD PHE 48 2.742 -0.241 5.794 369 HD2 PHE 48 2HD PHE 48 2.373 3.883 4.560 370 HE1 PHE 48 1HE PHE 48 1.423 -0.935 3.923 371 HE2 PHE 48 2HE PHE 48 1.152 3.233 2.589 372 HZ PHE 48 HZ PHE 48 0.535 0.844 2.341 373 H ALA 49 H ALA 49 3.489 2.967 9.928 374 HA ALA 49 HA ALA 49 0.667 3.133 10.506 375 1HB ALA 49 1HB ALA 49 1.983 1.258 11.466 376 2HB ALA 49 2HB ALA 49 2.716 2.422 12.585 377 3HB ALA 49 3HB ALA 49 1.036 2.170 12.643 378 H GLU 50 H GLU 50 3.306 5.240 11.237 379 HA GLU 50 HA GLU 50 1.687 7.073 12.933 380 1HB GLU 50 1HB GLU 50 4.342 6.896 12.851 381 2HB GLU 50 2HB GLU 50 4.308 7.568 11.210 382 1HG GLU 50 1HG GLU 50 3.571 8.942 13.887 383 2HG GLU 50 2HG GLU 50 5.024 9.225 12.942 384 HE2 GLU 50 HE GLU 50 2.242 11.689 12.085 385 H LEU 51 H LEU 51 2.759 7.319 9.497 386 HA LEU 51 HA LEU 51 1.073 9.349 8.573 387 1HB LEU 51 1HB LEU 51 2.999 8.482 7.348 388 2HB LEU 51 2HB LEU 51 2.349 6.817 7.308 389 HG LEU 51 HG LEU 51 2.569 8.334 5.122 390 1HD1 LEU 51 1HD1 LEU 51 -0.043 6.615 5.533 391 2HD1 LEU 51 2HD1 LEU 51 0.856 6.969 4.085 392 3HD1 LEU 51 3HD1 LEU 51 1.576 5.948 5.326 393 1HD2 LEU 51 1HD2 LEU 51 0.972 10.222 6.141 394 2HD2 LEU 51 2HD2 LEU 51 0.568 9.548 4.452 395 3HD2 LEU 51 3HD2 LEU 51 -0.370 9.025 5.873 396 H ALA 52 H ALA 52 0.256 5.855 8.848 397 HA ALA 52 HA ALA 52 -2.433 6.140 7.806 398 1HB ALA 52 1HB ALA 52 -1.547 3.939 7.988 399 2HB ALA 52 2HB ALA 52 -1.357 3.921 9.786 400 3HB ALA 52 3HB ALA 52 -3.041 3.927 9.082 401 H LYS 53 H LYS 53 -1.183 6.427 11.035 402 HA LYS 53 HA LYS 53 -3.832 6.990 12.403 403 1HB LYS 53 1HB LYS 53 -1.027 7.768 13.263 404 2HB LYS 53 2HB LYS 53 -2.507 8.142 14.186 405 1HG LYS 53 1HG LYS 53 -3.079 5.568 14.361 406 2HG LYS 53 2HG LYS 53 -1.531 5.206 13.540 407 1HD LYS 53 1HD LYS 53 -1.779 6.951 16.005 408 2HD LYS 53 2HD LYS 53 -1.872 5.184 16.120 409 1HE LYS 53 1HE LYS 53 0.592 5.252 14.716 410 2HE LYS 53 2HE LYS 53 0.570 6.878 15.256 411 1HZ LYS 53 1HZ LYS 53 0.214 4.578 17.148 412 2HZ LYS 53 2HZ LYS 53 1.666 5.319 16.785 413 H LYS 54 H LYS 54 -1.812 8.991 10.345 414 HA LYS 54 HA LYS 54 -2.884 11.581 11.165 415 1HB LYS 54 1HB LYS 54 -0.417 11.086 10.666 416 2HB LYS 54 2HB LYS 54 -0.961 10.749 9.019 417 1HG LYS 54 1HG LYS 54 -1.941 13.165 8.989 418 2HG LYS 54 2HG LYS 54 -1.164 13.454 10.492 419 1HD LYS 54 1HD LYS 54 0.355 12.470 7.836 420 2HD LYS 54 2HD LYS 54 0.247 14.137 8.454 421 1HE LYS 54 1HE LYS 54 1.614 13.462 10.481 422 2HE LYS 54 2HE LYS 54 1.890 11.891 9.674 423 1HZ LYS 54 1HZ LYS 54 2.931 14.570 8.702 424 2HZ LYS 54 2HZ LYS 54 3.644 13.129 8.936 425 H PHE 55 H PHE 55 -3.380 9.386 8.859 426 HA PHE 55 HA PHE 55 -5.253 10.874 7.005 427 1HB PHE 55 1HB PHE 55 -3.011 8.994 6.398 428 2HB PHE 55 2HB PHE 55 -4.301 9.198 5.378 429 HD1 PHE 55 1HD PHE 55 -4.900 11.340 4.157 430 HD2 PHE 55 2HD PHE 55 -1.668 10.997 6.811 431 HE1 PHE 55 1HE PHE 55 -3.941 13.523 3.281 432 HE2 PHE 55 2HE PHE 55 -0.593 13.077 5.829 433 HZ PHE 55 HZ PHE 55 -1.722 14.297 4.193 434 HA PRO 56 HA PRO 56 -8.354 7.801 7.944 435 1HB PRO 56 1HB PRO 56 -10.556 9.482 8.262 436 2HB PRO 56 2HB PRO 56 -9.287 9.276 9.352 437 1HG PRO 56 1HG PRO 56 -9.623 11.404 7.115 438 2HG PRO 56 2HG PRO 56 -9.225 11.580 8.877 439 1HD PRO 56 1HD PRO 56 -7.479 11.393 6.769 440 2HD PRO 56 2HD PRO 56 -7.070 11.310 8.515 441 H ASN 57 H ASN 57 -8.068 9.027 4.843 442 HA ASN 57 HA ASN 57 -10.656 8.349 3.735 443 1HB ASN 57 1HB ASN 57 -10.263 9.842 1.931 444 2HB ASN 57 2HB ASN 57 -10.265 10.860 3.423 445 1HD2 ASN 57 1HD2 ASN 57 -8.288 11.659 4.067 446 2HD2 ASN 57 2HD2 ASN 57 -6.857 11.698 2.959 447 H VAL 58 H VAL 58 -7.912 6.946 4.426 448 HA VAL 58 HA VAL 58 -7.602 5.516 1.869 449 HB VAL 58 HB VAL 58 -6.284 7.610 1.533 450 1HG1 VAL 58 1HG1 VAL 58 -5.150 7.190 4.271 451 2HG1 VAL 58 2HG1 VAL 58 -4.555 8.314 2.980 452 3HG1 VAL 58 3HG1 VAL 58 -6.075 8.528 3.684 453 1HG2 VAL 58 1HG2 VAL 58 -4.210 6.802 1.046 454 2HG2 VAL 58 2HG2 VAL 58 -4.254 5.526 2.299 455 3HG2 VAL 58 3HG2 VAL 58 -5.293 5.371 0.876 456 H THR 59 H THR 59 -7.867 3.612 2.283 457 HA THR 59 HA THR 59 -7.024 2.144 4.659 458 HB THR 59 HB THR 59 -7.879 1.196 1.828 459 HG1 THR 59 1HG THR 59 -9.425 1.388 4.263 460 1HG2 THR 59 1HG2 THR 59 -8.543 -0.820 2.707 461 2HG2 THR 59 2HG2 THR 59 -6.855 -0.695 3.055 462 3HG2 THR 59 3HG2 THR 59 -7.960 -0.421 4.452 463 H PHE 60 H PHE 60 -5.479 0.779 4.752 464 HA PHE 60 HA PHE 60 -3.268 0.769 2.806 465 1HB PHE 60 1HB PHE 60 -2.781 1.215 5.836 466 2HB PHE 60 2HB PHE 60 -1.557 1.049 4.574 467 HD1 PHE 60 1HD PHE 60 -1.328 2.961 2.910 468 HD2 PHE 60 2HD PHE 60 -3.665 3.185 6.492 469 HE1 PHE 60 1HE PHE 60 -1.387 5.373 2.698 470 HE2 PHE 60 2HE PHE 60 -3.708 5.674 6.239 471 HZ PHE 60 HZ PHE 60 -2.670 6.746 4.360 472 H LEU 61 H LEU 61 -2.350 -1.019 2.457 473 HA LEU 61 HA LEU 61 -2.234 -3.171 4.427 474 1HB LEU 61 1HB LEU 61 -3.618 -4.776 3.332 475 2HB LEU 61 2HB LEU 61 -4.642 -3.401 3.163 476 HG LEU 61 HG LEU 61 -3.219 -3.167 0.806 477 1HD1 LEU 61 1HD1 LEU 61 -3.360 -6.116 1.379 478 2HD1 LEU 61 2HD1 LEU 61 -3.179 -5.326 -0.367 479 3HD1 LEU 61 3HD1 LEU 61 -1.922 -5.232 0.944 480 1HD2 LEU 61 1HD2 LEU 61 -5.582 -3.052 0.786 481 2HD2 LEU 61 2HD2 LEU 61 -5.274 -4.454 -0.294 482 3HD2 LEU 61 3HD2 LEU 61 -5.786 -4.791 1.400 483 H LYS 62 H LYS 62 -1.108 -5.157 3.733 484 HA LYS 62 HA LYS 62 1.367 -4.440 2.158 485 1HB LYS 62 1HB LYS 62 2.907 -4.670 3.903 486 2HB LYS 62 2HB LYS 62 2.040 -3.338 4.367 487 1HG LYS 62 1HG LYS 62 0.931 -4.471 6.263 488 2HG LYS 62 2HG LYS 62 1.394 -6.090 5.751 489 1HD LYS 62 1HD LYS 62 3.791 -5.651 5.999 490 2HD LYS 62 2HD LYS 62 3.592 -3.993 6.094 491 1HE LYS 62 1HE LYS 62 2.334 -4.300 8.299 492 2HE LYS 62 2HE LYS 62 2.375 -6.114 8.199 493 1HZ LYS 62 1HZ LYS 62 4.189 -5.614 9.555 494 2HZ LYS 62 2HZ LYS 62 4.640 -4.230 8.781 495 H VAL 63 H VAL 63 1.265 -5.879 0.980 496 HA VAL 63 HA VAL 63 0.694 -8.787 1.421 497 HB VAL 63 HB VAL 63 1.738 -7.082 -0.999 498 1HG1 VAL 63 1HG1 VAL 63 0.891 -9.201 -2.393 499 2HG1 VAL 63 2HG1 VAL 63 2.509 -9.381 -1.645 500 3HG1 VAL 63 3HG1 VAL 63 1.128 -10.169 -0.892 501 1HG2 VAL 63 1HG2 VAL 63 -0.679 -6.521 -0.343 502 2HG2 VAL 63 2HG2 VAL 63 -0.660 -7.622 -1.750 503 3HG2 VAL 63 3HG2 VAL 63 -1.096 -8.311 -0.351 504 H ASP 64 H ASP 64 2.220 -10.171 2.074 505 HA ASP 64 HA ASP 64 5.086 -10.059 1.822 506 1HB ASP 64 1HB ASP 64 3.965 -11.480 3.621 507 2HB ASP 64 2HB ASP 64 3.158 -12.343 2.331 508 HD2 ASP 64 HD ASP 64 5.750 -14.360 3.625 509 H VAL 65 H VAL 65 5.714 -10.007 -0.201 510 HA VAL 65 HA VAL 65 4.502 -10.977 -2.535 511 HB VAL 65 HB VAL 65 6.443 -9.274 -2.089 512 1HG1 VAL 65 1HG1 VAL 65 8.697 -9.653 -2.436 513 2HG1 VAL 65 2HG1 VAL 65 8.078 -10.883 -1.267 514 3HG1 VAL 65 3HG1 VAL 65 8.508 -11.291 -2.946 515 1HG2 VAL 65 1HG2 VAL 65 6.411 -10.920 -4.745 516 2HG2 VAL 65 2HG2 VAL 65 5.334 -9.605 -4.440 517 3HG2 VAL 65 3HG2 VAL 65 7.074 -9.257 -4.635 518 H ASP 66 H ASP 66 6.956 -12.908 -0.752 519 HA ASP 66 HA ASP 66 7.488 -15.089 -2.551 520 1HB ASP 66 1HB ASP 66 6.968 -15.214 0.473 521 2HB ASP 66 2HB ASP 66 7.826 -16.390 -0.609 522 HD2 ASP 66 HD ASP 66 10.850 -14.788 -0.453 523 H GLU 67 H GLU 67 4.605 -14.953 -0.702 524 HA GLU 67 HA GLU 67 3.106 -17.157 -1.997 525 1HB GLU 67 1HB GLU 67 2.206 -14.955 0.016 526 2HB GLU 67 2HB GLU 67 1.171 -16.212 -0.752 527 1HG GLU 67 1HG GLU 67 1.711 -17.405 1.072 528 2HG GLU 67 2HG GLU 67 2.904 -18.116 0.308 529 HE2 GLU 67 HE GLU 67 5.388 -17.079 2.373 530 H LEU 68 H LEU 68 3.395 -13.769 -2.934 531 HA LEU 68 HA LEU 68 1.360 -13.952 -5.097 532 1HB LEU 68 1HB LEU 68 1.397 -11.835 -2.867 533 2HB LEU 68 2HB LEU 68 0.400 -11.735 -4.305 534 HG LEU 68 HG LEU 68 -0.031 -13.794 -1.971 535 1HD1 LEU 68 1HD1 LEU 68 -2.011 -12.377 -1.504 536 2HD1 LEU 68 2HD1 LEU 68 -0.447 -11.556 -1.223 537 3HD1 LEU 68 3HD1 LEU 68 -1.374 -11.104 -2.712 538 1HD2 LEU 68 1HD2 LEU 68 -0.790 -14.684 -4.237 539 2HD2 LEU 68 2HD2 LEU 68 -1.902 -14.582 -2.924 540 3HD2 LEU 68 3HD2 LEU 68 -1.986 -13.356 -4.292 541 H LYS 69 H LYS 69 3.436 -13.852 -5.989 542 HA LYS 69 HA LYS 69 4.733 -11.247 -6.671 543 1HB LYS 69 1HB LYS 69 6.392 -12.372 -7.988 544 2HB LYS 69 2HB LYS 69 6.478 -12.617 -6.364 545 1HG LYS 69 1HG LYS 69 5.399 -14.920 -6.482 546 2HG LYS 69 2HG LYS 69 5.276 -14.760 -8.262 547 1HD LYS 69 1HD LYS 69 7.846 -14.525 -8.265 548 2HD LYS 69 2HD LYS 69 7.860 -14.767 -6.479 549 1HE LYS 69 1HE LYS 69 6.686 -17.123 -7.006 550 2HE LYS 69 2HE LYS 69 6.797 -16.703 -8.705 551 1HZ LYS 69 1HZ LYS 69 9.216 -16.441 -8.413 552 2HZ LYS 69 2HZ LYS 69 9.240 -17.265 -7.027 553 H ALA 70 H ALA 70 2.751 -13.704 -8.203 554 HA ALA 70 HA ALA 70 2.876 -12.645 -10.977 555 1HB ALA 70 1HB ALA 70 0.956 -14.059 -11.397 556 2HB ALA 70 2HB ALA 70 1.818 -15.031 -10.273 557 3HB ALA 70 3HB ALA 70 0.447 -14.275 -9.652 558 H VAL 71 H VAL 71 0.218 -12.136 -8.652 559 HA VAL 71 HA VAL 71 -0.786 -9.662 -9.652 560 HB VAL 71 HB VAL 71 -1.935 -11.066 -8.094 561 1HG1 VAL 71 1HG1 VAL 71 -1.503 -10.852 -5.660 562 2HG1 VAL 71 2HG1 VAL 71 0.049 -11.387 -6.467 563 3HG1 VAL 71 3HG1 VAL 71 0.012 -9.743 -6.011 564 1HG2 VAL 71 1HG2 VAL 71 -3.093 -8.986 -7.084 565 2HG2 VAL 71 2HG2 VAL 71 -1.411 -8.147 -7.031 566 3HG2 VAL 71 3HG2 VAL 71 -2.429 -8.372 -8.494 567 H ALA 72 H ALA 72 1.802 -9.739 -7.044 568 HA ALA 72 HA ALA 72 2.329 -6.887 -6.991 569 1HB ALA 72 1HB ALA 72 4.688 -7.468 -6.305 570 2HB ALA 72 2HB ALA 72 3.456 -8.379 -5.480 571 3HB ALA 72 3HB ALA 72 4.490 -9.114 -6.798 572 H GLU 73 H GLU 73 3.870 -9.064 -9.025 573 HA GLU 73 HA GLU 73 5.519 -7.419 -10.670 574 1HB GLU 73 1HB GLU 73 4.299 -10.045 -11.246 575 2HB GLU 73 2HB GLU 73 5.363 -9.238 -12.465 576 1HG GLU 73 1HG GLU 73 7.351 -9.386 -11.144 577 2HG GLU 73 2HG GLU 73 6.474 -9.992 -9.750 578 HE2 GLU 73 HE GLU 73 8.390 -12.438 -11.283 579 H GLU 74 H GLU 74 1.879 -8.635 -11.224 580 HA GLU 74 HA GLU 74 1.425 -7.168 -13.549 581 1HB GLU 74 1HB GLU 74 -0.470 -8.089 -13.819 582 2HB GLU 74 2HB GLU 74 -0.008 -9.138 -12.522 583 1HG GLU 74 1HG GLU 74 -1.010 -7.864 -10.782 584 2HG GLU 74 2HG GLU 74 -1.597 -6.679 -11.825 585 HE2 GLU 74 HE GLU 74 -3.573 -7.065 -11.680 586 H TRP 75 H TRP 75 0.787 -5.799 -10.330 587 HA TRP 75 HA TRP 75 -0.007 -3.144 -11.373 588 1HB TRP 75 1HB TRP 75 1.340 -3.103 -8.669 589 2HB TRP 75 2HB TRP 75 0.125 -2.087 -9.301 590 HD1 TRP 75 HD TRP 75 0.495 -5.099 -7.093 591 HE1 TRP 75 1HE TRP 75 -1.567 -6.616 -6.717 592 HE3 TRP 75 3HE TRP 75 -2.568 -2.665 -10.368 593 HZ2 TRP 75 2HZ TRP 75 -3.958 -6.811 -7.808 594 HZ3 TRP 75 3HZ TRP 75 -4.758 -3.701 -10.901 595 HH2 TRP 75 HH TRP 75 -5.594 -5.701 -9.627 596 H ASN 76 H ASN 76 3.150 -4.132 -10.265 597 HA ASN 76 HA ASN 76 4.534 -4.030 -12.469 598 1HB ASN 76 1HB ASN 76 3.771 -1.974 -13.143 599 2HB ASN 76 2HB ASN 76 4.638 -1.189 -11.959 600 1HD2 ASN 76 1HD2 ASN 76 7.370 -1.659 -12.239 601 2HD2 ASN 76 2HD2 ASN 76 7.959 -1.966 -13.912 602 H VAL 77 H VAL 77 5.351 -5.175 -10.602 603 HA VAL 77 HA VAL 77 7.584 -3.959 -9.154 604 HB VAL 77 HB VAL 77 5.849 -6.383 -7.849 605 1HG1 VAL 77 1HG1 VAL 77 7.940 -4.269 -6.851 606 2HG1 VAL 77 2HG1 VAL 77 6.785 -5.103 -5.704 607 3HG1 VAL 77 3HG1 VAL 77 7.836 -6.068 -6.710 608 1HG2 VAL 77 1HG2 VAL 77 4.771 -4.486 -6.371 609 2HG2 VAL 77 2HG2 VAL 77 5.405 -3.192 -7.536 610 3HG2 VAL 77 3HG2 VAL 77 4.247 -4.261 -7.994 611 H GLU 78 H GLU 78 8.818 -4.549 -10.282 612 HA GLU 78 HA GLU 78 10.164 -7.206 -10.739 613 1HB GLU 78 1HB GLU 78 12.128 -6.177 -11.588 614 2HB GLU 78 2HB GLU 78 10.560 -5.919 -12.535 615 1HG GLU 78 1HG GLU 78 10.587 -3.475 -11.321 616 2HG GLU 78 2HG GLU 78 12.351 -3.609 -11.254 617 HE2 GLU 78 HE GLU 78 13.489 -4.172 -13.158 618 H ALA 79 H ALA 79 10.193 -4.624 -8.335 619 HA ALA 79 HA ALA 79 12.913 -5.104 -7.209 620 1HB ALA 79 1HB ALA 79 13.498 -2.977 -7.291 621 2HB ALA 79 2HB ALA 79 12.859 -3.286 -8.884 622 3HB ALA 79 3HB ALA 79 11.998 -2.117 -7.802 623 H MET 80 H MET 80 13.025 -4.954 -5.020 624 HA MET 80 HA MET 80 10.803 -4.466 -3.319 625 1HB MET 80 1HB MET 80 13.235 -6.402 -3.158 626 2HB MET 80 2HB MET 80 13.023 -5.283 -1.925 627 1HG MET 80 1HG MET 80 11.783 -7.337 -1.367 628 2HG MET 80 2HG MET 80 10.563 -5.897 -1.564 629 1HE MET 80 1HE MET 80 8.486 -6.263 -2.843 630 2HE MET 80 2HE MET 80 9.103 -5.568 -4.319 631 3HE MET 80 3HE MET 80 8.362 -7.171 -4.598 632 HA PRO 81 HA PRO 81 9.584 -3.285 -2.783 633 1HB PRO 81 1HB PRO 81 9.109 -2.723 -0.322 634 2HB PRO 81 2HB PRO 81 10.187 -3.932 -0.854 635 1HG PRO 81 2HG PRO 81 10.522 -1.213 0.147 636 2HG PRO 81 1HG PRO 81 11.627 -2.499 0.653 637 1HD PRO 81 1HD PRO 81 11.959 -0.390 -1.437 638 2HD PRO 81 2HD PRO 81 13.149 -1.790 -1.105 639 H THR 82 H THR 82 7.986 -2.547 -2.917 640 HA THR 82 HA THR 82 7.634 0.079 -4.067 641 HB THR 82 HB THR 82 6.544 -2.275 -5.183 642 HG1 THR 82 1HG THR 82 8.570 -2.673 -5.754 643 1HG2 THR 82 1HG2 THR 82 5.347 -0.604 -6.486 644 2HG2 THR 82 2HG2 THR 82 6.676 0.585 -6.365 645 3HG2 THR 82 3HG2 THR 82 6.749 -0.731 -7.550 646 H PHE 83 H PHE 83 5.903 1.317 -3.437 647 HA PHE 83 HA PHE 83 3.422 0.324 -2.213 648 1HB PHE 83 1HB PHE 83 4.442 3.193 -2.655 649 2HB PHE 83 2HB PHE 83 3.178 2.809 -1.772 650 HD1 PHE 83 1HD PHE 83 6.923 2.742 -1.640 651 HD2 PHE 83 2HD PHE 83 3.144 1.854 0.602 652 HE1 PHE 83 1HE PHE 83 7.986 2.759 0.533 653 HE2 PHE 83 2HE PHE 83 4.542 1.782 2.630 654 HZ PHE 83 HZ PHE 83 6.964 2.186 2.558 655 H ILE 84 H ILE 84 1.310 0.778 -3.456 656 HA ILE 84 HA ILE 84 1.369 1.900 -5.984 657 HB ILE 84 HB ILE 84 0.832 -0.933 -5.162 658 1HG1 ILE 84 1HG1 ILE 84 1.352 -0.867 -7.831 659 2HG1 ILE 84 2HG1 ILE 84 2.569 0.301 -7.118 660 1HG2 ILE 84 1HG2 ILE 84 -0.787 0.278 -7.342 661 2HG2 ILE 84 2HG2 ILE 84 -0.575 -1.351 -7.164 662 3HG2 ILE 84 3HG2 ILE 84 -1.433 -0.638 -5.943 663 1HD1 ILE 84 1HD1 ILE 84 3.232 -1.678 -5.373 664 2HD1 ILE 84 2HD1 ILE 84 2.586 -2.758 -6.572 665 3HD1 ILE 84 3HD1 ILE 84 3.641 -1.511 -7.192 666 H PHE 85 H PHE 85 0.005 3.223 -6.086 667 HA PHE 85 HA PHE 85 -2.198 3.796 -4.271 668 1HB PHE 85 1HB PHE 85 -0.855 5.158 -6.500 669 2HB PHE 85 2HB PHE 85 -2.106 5.824 -5.500 670 HD1 PHE 85 1HD PHE 85 1.368 4.511 -5.093 671 HD2 PHE 85 2HD PHE 85 -1.696 7.005 -3.474 672 HE1 PHE 85 1HE PHE 85 2.812 5.167 -3.139 673 HE2 PHE 85 2HE PHE 85 -0.261 7.792 -1.673 674 HZ PHE 85 HZ PHE 85 1.967 6.766 -1.502 675 H LEU 86 H LEU 86 -3.898 2.730 -4.717 676 HA LEU 86 HA LEU 86 -5.033 2.542 -7.476 677 1HB LEU 86 1HB LEU 86 -3.803 0.536 -6.453 678 2HB LEU 86 2HB LEU 86 -4.942 0.263 -5.253 679 HG LEU 86 HG LEU 86 -5.524 -1.301 -6.594 680 1HD1 LEU 86 1HD1 LEU 86 -7.539 -0.782 -8.003 681 2HD1 LEU 86 2HD1 LEU 86 -7.685 -0.117 -6.422 682 3HD1 LEU 86 3HD1 LEU 86 -7.147 0.905 -7.764 683 1HD2 LEU 86 1HD2 LEU 86 -5.043 -1.640 -8.971 684 2HD2 LEU 86 2HD2 LEU 86 -4.888 0.126 -9.206 685 3HD2 LEU 86 3HD2 LEU 86 -3.773 -0.854 -8.233 686 H LYS 87 H LYS 87 -6.781 3.597 -7.437 687 HA LYS 87 HA LYS 87 -8.582 4.252 -5.121 688 1HB LYS 87 1HB LYS 87 -6.942 5.960 -6.227 689 2HB LYS 87 2HB LYS 87 -7.667 5.629 -7.684 690 1HG LYS 87 1HG LYS 87 -9.752 6.875 -6.708 691 2HG LYS 87 2HG LYS 87 -8.960 6.575 -5.127 692 1HD LYS 87 1HD LYS 87 -7.260 8.346 -5.862 693 2HD LYS 87 2HD LYS 87 -7.943 8.426 -7.413 694 1HE LYS 87 1HE LYS 87 -10.086 9.571 -6.256 695 2HE LYS 87 2HE LYS 87 -9.021 9.557 -4.745 696 1HZ LYS 87 1HZ LYS 87 -8.886 11.630 -6.250 697 2HZ LYS 87 2HZ LYS 87 -7.557 10.804 -5.610 698 H ASP 88 H ASP 88 -10.886 4.528 -5.441 699 HA ASP 88 HA ASP 88 -12.431 3.289 -7.616 700 1HB ASP 88 1HB ASP 88 -14.203 4.652 -7.058 701 2HB ASP 88 2HB ASP 88 -13.356 4.143 -5.734 702 HD2 ASP 88 HD ASP 88 -12.465 7.487 -4.788 703 H GLY 89 H GLY 89 -10.133 3.937 -8.976 704 1HA GLY 89 1HA GLY 89 -11.188 5.156 -11.505 705 2HA GLY 89 2HA GLY 89 -10.019 6.163 -10.781 706 H LYS 90 H LYS 90 -9.634 2.693 -10.446 707 HA LYS 90 HA LYS 90 -7.988 1.134 -11.012 708 1HB LYS 90 1HB LYS 90 -8.009 2.681 -13.583 709 2HB LYS 90 2HB LYS 90 -6.892 1.356 -13.496 710 1HG LYS 90 1HG LYS 90 -8.669 -0.286 -13.288 711 2HG LYS 90 2HG LYS 90 -9.864 0.814 -12.779 712 1HD LYS 90 1HD LYS 90 -8.699 0.924 -15.558 713 2HD LYS 90 2HD LYS 90 -10.078 0.021 -15.066 714 1HE LYS 90 1HE LYS 90 -11.412 1.826 -14.408 715 2HE LYS 90 2HE LYS 90 -10.170 3.082 -14.754 716 1HZ LYS 90 1HZ LYS 90 -10.280 2.257 -17.179 717 2HZ LYS 90 2HZ LYS 90 -11.561 2.914 -16.708 718 H LEU 91 H LEU 91 -5.640 1.131 -11.843 719 HA LEU 91 HA LEU 91 -3.867 2.136 -9.862 720 1HB LEU 91 1HB LEU 91 -3.517 0.303 -11.596 721 2HB LEU 91 2HB LEU 91 -3.438 1.509 -12.813 722 HG LEU 91 HG LEU 91 -1.353 2.376 -11.608 723 1HD1 LEU 91 1HD1 LEU 91 -1.839 1.330 -9.283 724 2HD1 LEU 91 2HD1 LEU 91 -1.435 -0.181 -9.879 725 3HD1 LEU 91 3HD1 LEU 91 -0.150 0.966 -9.770 726 1HD2 LEU 91 1HD2 LEU 91 0.272 0.590 -12.487 727 2HD2 LEU 91 2HD2 LEU 91 -1.171 -0.496 -12.528 728 3HD2 LEU 91 3HD2 LEU 91 -1.271 0.799 -13.571 729 H VAL 92 H VAL 92 -4.357 4.241 -9.455 730 HA VAL 92 HA VAL 92 -3.579 6.476 -11.088 731 HB VAL 92 HB VAL 92 -3.754 7.860 -9.169 732 1HG1 VAL 92 1HG1 VAL 92 -6.166 6.234 -9.295 733 2HG1 VAL 92 2HG1 VAL 92 -6.030 8.056 -8.969 734 3HG1 VAL 92 3HG1 VAL 92 -5.659 7.306 -10.550 735 1HG2 VAL 92 1HG2 VAL 92 -4.722 5.563 -7.354 736 2HG2 VAL 92 2HG2 VAL 92 -2.959 6.225 -7.620 737 3HG2 VAL 92 3HG2 VAL 92 -4.344 7.206 -6.936 738 H ASP 93 H ASP 93 -1.300 4.810 -8.817 739 HA ASP 93 HA ASP 93 1.056 6.220 -9.903 740 1HB ASP 93 1HB ASP 93 -0.307 7.576 -7.754 741 2HB ASP 93 2HB ASP 93 0.937 6.675 -7.016 742 HD2 ASP 93 HD ASP 93 0.418 9.124 -9.345 743 H LYS 94 H LYS 94 3.133 5.659 -8.874 744 HA LYS 94 HA LYS 94 3.214 3.339 -7.173 745 1HB LYS 94 1HB LYS 94 4.456 1.885 -8.574 746 2HB LYS 94 2HB LYS 94 2.877 2.198 -9.249 747 1HG LYS 94 1HG LYS 94 4.078 3.836 -10.882 748 2HG LYS 94 2HG LYS 94 5.595 3.234 -10.425 749 1HD LYS 94 1HD LYS 94 4.806 0.811 -10.827 750 2HD LYS 94 2HD LYS 94 3.330 1.546 -11.310 751 1HE LYS 94 1HE LYS 94 5.837 2.434 -12.663 752 2HE LYS 94 2HE LYS 94 5.134 0.793 -13.153 753 1HZ LYS 94 1HZ LYS 94 3.219 1.876 -13.862 754 2HZ LYS 94 2HZ LYS 94 4.331 2.646 -14.578 755 H THR 95 H THR 95 5.026 3.309 -6.096 756 HA THR 95 HA THR 95 7.569 4.786 -6.599 757 HB THR 95 HB THR 95 5.983 5.480 -4.137 758 HG1 THR 95 1HG THR 95 5.477 6.475 -6.010 759 1HG2 THR 95 1HG2 THR 95 8.063 7.329 -4.267 760 2HG2 THR 95 2HG2 THR 95 8.422 5.732 -3.434 761 3HG2 THR 95 3HG2 THR 95 8.920 6.107 -4.964 762 H VAL 96 H VAL 96 9.270 4.219 -5.440 763 HA VAL 96 HA VAL 96 9.038 1.632 -4.054 764 HB VAL 96 HB VAL 96 9.028 0.523 -5.894 765 1HG1 VAL 96 1HG1 VAL 96 10.935 2.292 -7.331 766 2HG1 VAL 96 2HG1 VAL 96 10.066 1.109 -8.262 767 3HG1 VAL 96 3HG1 VAL 96 9.146 2.315 -7.661 768 1HG2 VAL 96 1HG2 VAL 96 11.931 0.382 -5.270 769 2HG2 VAL 96 2HG2 VAL 96 10.620 -0.484 -4.614 770 3HG2 VAL 96 3HG2 VAL 96 10.952 -0.820 -6.297 771 H GLY 97 H GLY 97 10.148 2.054 -2.262 772 1HA GLY 97 1HA GLY 97 12.827 2.127 -2.114 773 2HA GLY 97 2HA GLY 97 12.553 3.843 -2.138 774 H ALA 98 H ALA 98 12.871 4.145 -0.118 775 HA ALA 98 HA ALA 98 10.926 3.626 2.075 776 1HB ALA 98 1HB ALA 98 13.433 1.948 2.328 777 2HB ALA 98 2HB ALA 98 12.386 2.270 3.588 778 3HB ALA 98 3HB ALA 98 11.889 1.398 2.175 779 H ASP 99 H ASP 99 11.004 5.862 2.472 780 HA ASP 99 HA ASP 99 13.463 7.183 3.573 781 1HB ASP 99 1HB ASP 99 13.516 7.710 1.285 782 2HB ASP 99 2HB ASP 99 11.764 8.316 1.225 783 HD2 ASP 99 HD ASP 99 12.929 11.395 1.432 784 H LYS 100 H LYS 100 12.659 8.269 5.437 785 HA LYS 100 HA LYS 100 10.113 7.745 6.672 786 1HB LYS 100 1HB LYS 100 10.934 8.820 8.599 787 2HB LYS 100 2HB LYS 100 12.242 7.796 8.006 788 1HG LYS 100 1HG LYS 100 13.623 9.594 7.041 789 2HG LYS 100 2HG LYS 100 12.353 10.748 7.472 790 1HD LYS 100 1HD LYS 100 12.715 10.119 9.870 791 2HD LYS 100 2HD LYS 100 13.885 8.907 9.398 792 1HE LYS 100 1HE LYS 100 15.202 10.954 8.464 793 2HE LYS 100 2HE LYS 100 14.071 12.054 9.165 794 1HZ LYS 100 1HZ LYS 100 14.697 10.694 11.364 795 2HZ LYS 100 2HZ LYS 100 15.929 10.084 10.412 796 H ASP 101 H ASP 101 11.406 10.485 5.242 797 HA ASP 101 HA ASP 101 9.001 12.301 5.449 798 1HB ASP 101 1HB ASP 101 10.292 14.000 4.061 799 2HB ASP 101 2HB ASP 101 10.934 13.603 5.663 800 HD2 ASP 101 HD ASP 101 13.959 12.417 4.440 801 H GLY 102 H GLY 102 10.326 10.310 2.935 802 1HA GLY 102 1HA GLY 102 9.182 11.523 0.616 803 2HA GLY 102 2HA GLY 102 9.740 9.844 0.684 804 H LEU 103 H LEU 103 8.045 8.717 2.269 805 HA LEU 103 HA LEU 103 5.568 8.205 0.940 806 1HB LEU 103 1HB LEU 103 6.938 6.533 2.147 807 2HB LEU 103 2HB LEU 103 6.649 7.334 3.684 808 HG LEU 103 HG LEU 103 4.181 6.624 3.306 809 1HD1 LEU 103 1HD1 LEU 103 3.594 5.046 1.574 810 2HD1 LEU 103 2HD1 LEU 103 4.198 6.401 0.736 811 3HD1 LEU 103 3HD1 LEU 103 5.137 4.947 0.915 812 1HD2 LEU 103 1HD2 LEU 103 4.659 4.088 3.615 813 2HD2 LEU 103 2HD2 LEU 103 6.402 4.741 3.683 814 3HD2 LEU 103 3HD2 LEU 103 5.163 5.266 4.843 815 HA PRO 104 HA PRO 104 3.045 10.745 4.338 816 1HB PRO 104 1HB PRO 104 5.461 12.333 5.143 817 2HB PRO 104 2HB PRO 104 3.885 12.210 6.081 818 1HG PRO 104 1HG PRO 104 6.192 10.704 6.789 819 2HG PRO 104 2HG PRO 104 4.628 9.856 6.640 820 1HD PRO 104 1HD PRO 104 6.856 9.824 4.503 821 2HD PRO 104 2HD PRO 104 5.811 8.585 5.077 822 H THR 105 H THR 105 5.761 12.192 2.559 823 HA THR 105 HA THR 105 4.376 14.624 1.719 824 HB THR 105 HB THR 105 6.746 13.405 0.380 825 HG1 THR 105 1HG THR 105 6.883 15.603 1.981 826 1HG2 THR 105 1HG2 THR 105 7.222 15.602 -0.554 827 2HG2 THR 105 2HG2 THR 105 5.482 15.556 -0.736 828 3HG2 THR 105 3HG2 THR 105 6.222 16.446 0.556 829 H LEU 106 H LEU 106 5.115 11.705 -0.098 830 HA LEU 106 HA LEU 106 3.646 12.209 -2.541 831 1HB LEU 106 1HB LEU 106 5.214 10.438 -2.360 832 2HB LEU 106 2HB LEU 106 4.350 9.664 -1.112 833 HG LEU 106 HG LEU 106 2.569 8.924 -2.626 834 1HD1 LEU 106 1HD1 LEU 106 2.796 9.115 -4.983 835 2HD1 LEU 106 2HD1 LEU 106 2.715 10.796 -4.324 836 3HD1 LEU 106 3HD1 LEU 106 4.323 10.114 -4.961 837 1HD2 LEU 106 1HD2 LEU 106 4.077 7.260 -4.013 838 2HD2 LEU 106 2HD2 LEU 106 5.467 8.133 -3.361 839 3HD2 LEU 106 3HD2 LEU 106 4.331 7.398 -2.231 840 H VAL 107 H VAL 107 2.402 10.529 0.364 841 HA VAL 107 HA VAL 107 -0.309 10.049 -0.601 842 HB VAL 107 HB VAL 107 0.824 9.845 2.212 843 1HG1 VAL 107 1HG1 VAL 107 -1.506 10.351 2.647 844 2HG1 VAL 107 2HG1 VAL 107 -2.160 9.411 1.291 845 3HG1 VAL 107 3HG1 VAL 107 -1.483 8.689 2.762 846 1HG2 VAL 107 1HG2 VAL 107 0.304 7.353 1.732 847 2HG2 VAL 107 2HG2 VAL 107 -0.478 7.921 0.300 848 3HG2 VAL 107 3HG2 VAL 107 1.306 8.015 0.520 849 H ALA 108 H ALA 108 0.995 12.673 1.530 850 HA ALA 108 HA ALA 108 -1.330 14.129 1.859 851 1HB ALA 108 1HB ALA 108 -0.039 16.146 2.105 852 2HB ALA 108 2HB ALA 108 0.857 14.752 2.824 853 3HB ALA 108 3HB ALA 108 1.393 15.368 1.244 854 H LYS 109 H LYS 109 0.817 14.340 -0.833 855 HA LYS 109 HA LYS 109 -0.530 16.169 -2.486 856 1HB LYS 109 1HB LYS 109 0.976 13.771 -3.834 857 2HB LYS 109 2HB LYS 109 0.531 15.300 -4.535 858 1HG LYS 109 1HG LYS 109 2.240 16.405 -3.276 859 2HG LYS 109 2HG LYS 109 2.416 14.968 -2.263 860 1HD LYS 109 1HD LYS 109 3.279 13.780 -4.373 861 2HD LYS 109 2HD LYS 109 3.221 15.346 -5.206 862 1HE LYS 109 1HE LYS 109 4.784 16.333 -3.262 863 2HE LYS 109 2HE LYS 109 5.093 14.629 -2.847 864 1HZ LYS 109 1HZ LYS 109 5.541 15.704 -5.558 865 2HZ LYS 109 2HZ LYS 109 6.635 15.465 -4.448 866 H HIS 110 H HIS 110 -1.016 12.575 -2.288 867 HA HIS 110 HA HIS 110 -2.995 12.263 -4.451 868 1HB HIS 110 1HB HIS 110 -1.581 10.429 -2.530 869 2HB HIS 110 2HB HIS 110 -2.937 9.714 -2.976 870 HD1 HIS 110 1HD HIS 110 -3.716 9.225 -5.385 871 HD2 HIS 110 2HD HIS 110 0.324 10.792 -4.983 872 HE1 HIS 110 1HE HIS 110 -2.724 9.867 -7.709 873 H ALA 111 H ALA 111 -3.345 12.041 -1.071 874 HA ALA 111 HA ALA 111 -6.278 11.669 -0.821 875 1HB ALA 111 1HB ALA 111 -5.770 12.103 1.556 876 2HB ALA 111 2HB ALA 111 -4.663 10.848 0.675 877 3HB ALA 111 3HB ALA 111 -4.138 12.547 1.246 878 H THR 112 H THR 112 -4.300 14.568 -0.316 879 HA THR 112 HA THR 112 -6.623 16.412 -0.025 880 HB THR 112 HB THR 112 -3.816 17.308 -0.479 881 HG1 THR 112 1HG THR 112 -4.120 17.418 2.018 882 1HG2 THR 112 1HG2 THR 112 -5.388 19.180 -0.530 883 2HG2 THR 112 2HG2 THR 112 -6.271 18.640 0.856 884 3HG2 THR 112 3HG2 THR 112 -4.588 19.259 1.097 885 H ALA 113 H ALA 113 -4.633 15.856 -2.973 886 HA ALA 113 HA ALA 113 -6.233 17.155 -4.735 887 1HB ALA 113 1HB ALA 113 -5.269 14.422 -5.155 888 2HB ALA 113 2HB ALA 113 -5.912 15.305 -6.492 889 3HB ALA 113 3HB ALA 113 -4.401 15.952 -5.707 890 HXT ALA 113 HO ALA 113 -8.622 14.150 -3.783 Start of MODEL 5 1 1H ALA 1 1H ALA 1 -14.467 7.584 16.747 2 2H ALA 1 2H ALA 1 -13.731 8.382 17.970 3 HA ALA 1 HA ALA 1 -11.576 8.172 16.818 4 1HB ALA 1 1HB ALA 1 -11.272 5.721 17.320 5 2HB ALA 1 2HB ALA 1 -12.262 6.460 18.611 6 3HB ALA 1 3HB ALA 1 -13.031 5.540 17.302 7 H GLU 2 H GLU 2 -10.990 8.403 14.691 8 HA GLU 2 HA GLU 2 -12.079 6.777 12.372 9 1HB GLU 2 1HB GLU 2 -13.539 8.968 13.184 10 2HB GLU 2 2HB GLU 2 -12.066 9.875 12.734 11 1HG GLU 2 1HG GLU 2 -12.235 9.374 10.371 12 2HG GLU 2 2HG GLU 2 -13.224 8.031 10.522 13 HE2 GLU 2 HE GLU 2 -16.117 10.251 11.326 14 H GLU 3 H GLU 3 -10.411 6.106 11.357 15 HA GLU 3 HA GLU 3 -8.077 7.732 10.692 16 1HB GLU 3 1HB GLU 3 -6.272 6.634 11.697 17 2HB GLU 3 2HB GLU 3 -7.151 7.426 12.879 18 1HG GLU 3 1HG GLU 3 -8.082 5.168 13.622 19 2HG GLU 3 2HG GLU 3 -7.096 4.470 12.515 20 HE2 GLU 3 HE GLU 3 -5.348 5.824 15.878 21 H GLY 4 H GLY 4 -6.342 6.382 9.632 22 1HA GLY 4 1HA GLY 4 -7.188 4.194 7.749 23 2HA GLY 4 2HA GLY 4 -5.646 4.878 7.846 24 H GLN 5 H GLN 5 -5.797 2.276 7.665 25 HA GLN 5 HA GLN 5 -4.766 1.211 10.273 26 1HB GLN 5 1HB GLN 5 -6.435 -0.304 10.627 27 2HB GLN 5 2HB GLN 5 -7.406 1.011 10.107 28 1HG GLN 5 1HG GLN 5 -7.678 0.072 7.827 29 2HG GLN 5 2HG GLN 5 -6.726 -1.332 8.182 30 1HE2 GLN 5 1HE2 GLN 5 -7.352 -2.912 9.673 31 2HE2 GLN 5 2HE2 GLN 5 -9.147 -2.836 10.424 32 H VAL 6 H VAL 6 -3.158 0.092 9.813 33 HA VAL 6 HA VAL 6 -2.326 -1.049 7.376 34 HB VAL 6 HB VAL 6 -0.927 -0.827 10.008 35 1HG1 VAL 6 1HG1 VAL 6 1.192 -1.541 8.925 36 2HG1 VAL 6 2HG1 VAL 6 0.008 -2.748 8.766 37 3HG1 VAL 6 3HG1 VAL 6 0.548 -1.662 7.369 38 1HG2 VAL 6 1HG2 VAL 6 -0.614 0.844 7.385 39 2HG2 VAL 6 2HG2 VAL 6 -1.280 1.385 8.919 40 3HG2 VAL 6 3HG2 VAL 6 0.437 0.876 8.748 41 H ILE 7 H ILE 7 -2.607 -3.005 6.697 42 HA ILE 7 HA ILE 7 -3.533 -5.124 8.560 43 HB ILE 7 HB ILE 7 -5.494 -3.804 7.571 44 1HG1 ILE 7 1HG1 ILE 7 -5.816 -5.516 9.027 45 2HG1 ILE 7 2HG1 ILE 7 -6.961 -5.444 7.625 46 1HG2 ILE 7 1HG2 ILE 7 -5.083 -3.532 5.364 47 2HG2 ILE 7 2HG2 ILE 7 -4.963 -5.293 5.067 48 3HG2 ILE 7 3HG2 ILE 7 -6.541 -4.584 5.503 49 1HD1 ILE 7 1HD1 ILE 7 -5.294 -7.317 6.575 50 2HD1 ILE 7 2HD1 ILE 7 -4.784 -7.429 8.243 51 3HD1 ILE 7 3HD1 ILE 7 -6.391 -7.943 7.791 52 H ALA 8 H ALA 8 -2.564 -6.889 8.173 53 HA ALA 8 HA ALA 8 -0.409 -7.445 6.203 54 1HB ALA 8 1HB ALA 8 -0.216 -9.490 7.338 55 2HB ALA 8 2HB ALA 8 -0.134 -8.172 8.456 56 3HB ALA 8 3HB ALA 8 -1.623 -9.230 8.459 57 H CYS 9 H CYS 9 -0.605 -8.582 4.548 58 HA CYS 9 HA CYS 9 -2.957 -10.144 3.658 59 1HB CYS 9 1HB CYS 9 -1.330 -7.958 2.267 60 2HB CYS 9 2HB CYS 9 -2.250 -9.001 1.343 61 HG CYS 9 HG CYS 9 -4.516 -8.945 3.031 62 H HIS 10 H HIS 10 -2.638 -11.850 2.564 63 HA HIS 10 HA HIS 10 0.033 -13.041 1.837 64 1HB HIS 10 1HB HIS 10 -1.857 -14.575 3.848 65 2HB HIS 10 2HB HIS 10 -0.366 -15.038 3.368 66 HD1 HIS 10 1HD HIS 10 1.899 -13.637 4.435 67 HD2 HIS 10 2HD HIS 10 -1.996 -13.094 6.064 68 HE1 HIS 10 1HE HIS 10 2.012 -12.341 6.772 69 H THR 11 H THR 11 -3.383 -13.186 0.875 70 HA THR 11 HA THR 11 -2.821 -15.691 -0.705 71 HB THR 11 HB THR 11 -4.906 -16.796 0.060 72 HG1 THR 11 1HG THR 11 -4.498 -15.163 2.390 73 1HG2 THR 11 1HG2 THR 11 -2.582 -17.562 0.737 74 2HG2 THR 11 2HG2 THR 11 -2.733 -16.696 2.164 75 3HG2 THR 11 3HG2 THR 11 -3.875 -18.069 1.853 76 H VAL 12 H VAL 12 -5.152 -16.112 -1.899 77 HA VAL 12 HA VAL 12 -6.325 -13.758 -3.125 78 HB VAL 12 HB VAL 12 -6.658 -15.944 -4.179 79 1HG1 VAL 12 1HG1 VAL 12 -8.791 -16.712 -2.078 80 2HG1 VAL 12 2HG1 VAL 12 -8.147 -17.713 -3.388 81 3HG1 VAL 12 3HG1 VAL 12 -7.111 -17.468 -1.975 82 1HG2 VAL 12 1HG2 VAL 12 -8.509 -14.150 -4.576 83 2HG2 VAL 12 2HG2 VAL 12 -8.761 -15.806 -5.022 84 3HG2 VAL 12 3HG2 VAL 12 -9.552 -15.258 -3.565 85 H ASP 13 H ASP 13 -6.916 -14.334 -0.010 86 HA ASP 13 HA ASP 13 -9.363 -12.950 0.449 87 1HB ASP 13 1HB ASP 13 -6.825 -13.347 2.284 88 2HB ASP 13 2HB ASP 13 -8.464 -12.680 2.778 89 HD2 ASP 13 HD ASP 13 -10.249 -13.949 2.144 90 H THR 14 H THR 14 -5.873 -11.681 0.598 91 HA THR 14 HA THR 14 -6.684 -8.913 0.400 92 HB THR 14 HB THR 14 -4.515 -9.533 0.961 93 HG1 THR 14 1HG THR 14 -3.482 -7.665 -0.249 94 1HG2 THR 14 1HG2 THR 14 -3.844 -10.986 -1.050 95 2HG2 THR 14 2HG2 THR 14 -3.856 -9.451 -2.038 96 3HG2 THR 14 3HG2 THR 14 -2.689 -9.621 -0.830 97 H TRP 15 H TRP 15 -6.940 -11.064 -2.156 98 HA TRP 15 HA TRP 15 -7.276 -9.228 -4.489 99 1HB TRP 15 1HB TRP 15 -7.943 -12.141 -4.125 100 2HB TRP 15 2HB TRP 15 -8.821 -11.160 -5.271 101 HD1 TRP 15 HD TRP 15 -5.221 -12.347 -4.729 102 HE1 TRP 15 1HE TRP 15 -3.873 -11.996 -7.012 103 HE3 TRP 15 3HE TRP 15 -8.787 -9.930 -7.262 104 HZ2 TRP 15 2HZ TRP 15 -4.501 -10.907 -9.464 105 HZ3 TRP 15 3HZ TRP 15 -8.548 -9.475 -9.749 106 HH2 TRP 15 HH TRP 15 -6.348 -9.854 -10.794 107 H LYS 16 H LYS 16 -9.358 -10.850 -2.120 108 HA LYS 16 HA LYS 16 -11.880 -9.536 -2.572 109 1HB LYS 16 1HB LYS 16 -11.154 -10.331 0.321 110 2HB LYS 16 2HB LYS 16 -12.686 -9.929 -0.420 111 1HG LYS 16 1HG LYS 16 -12.310 -11.775 -1.978 112 2HG LYS 16 2HG LYS 16 -10.944 -12.341 -1.100 113 1HD LYS 16 1HD LYS 16 -13.919 -12.045 -0.301 114 2HD LYS 16 2HD LYS 16 -12.957 -13.555 -0.611 115 1HE LYS 16 1HE LYS 16 -11.566 -13.151 1.307 116 2HE LYS 16 2HE LYS 16 -12.544 -11.762 1.858 117 1HZ LYS 16 1HZ LYS 16 -14.445 -13.319 1.928 118 2HZ LYS 16 2HZ LYS 16 -13.540 -14.576 1.650 119 H GLU 17 H GLU 17 -9.215 -8.547 -0.316 120 HA GLU 17 HA GLU 17 -10.361 -5.976 0.481 121 1HB GLU 17 1HB GLU 17 -7.415 -7.016 0.676 122 2HB GLU 17 2HB GLU 17 -8.000 -5.689 1.457 123 1HG GLU 17 1HG GLU 17 -9.542 -7.021 2.895 124 2HG GLU 17 2HG GLU 17 -9.195 -8.450 2.030 125 HE2 GLU 17 HE GLU 17 -6.599 -9.319 4.038 126 H HIS 18 H HIS 18 -7.602 -6.432 -1.690 127 HA HIS 18 HA HIS 18 -7.072 -3.678 -2.093 128 1HB HIS 18 1HB HIS 18 -5.383 -5.279 -2.279 129 2HB HIS 18 2HB HIS 18 -6.079 -6.160 -3.606 130 HD1 HIS 18 1HD HIS 18 -6.440 -4.008 -6.023 131 HD2 HIS 18 2HD HIS 18 -3.248 -4.327 -3.220 132 HE1 HIS 18 1HE HIS 18 -4.366 -3.052 -6.921 133 H PHE 19 H PHE 19 -8.459 -5.903 -4.351 134 HA PHE 19 HA PHE 19 -9.337 -4.046 -6.314 135 1HB PHE 19 1HB PHE 19 -9.062 -6.776 -6.445 136 2HB PHE 19 2HB PHE 19 -10.691 -6.843 -6.070 137 HD1 PHE 19 1HD PHE 19 -12.485 -5.588 -7.599 138 HD2 PHE 19 2HD PHE 19 -8.306 -6.262 -8.673 139 HE1 PHE 19 1HE PHE 19 -12.979 -5.562 -9.964 140 HE2 PHE 19 2HE PHE 19 -8.805 -6.138 -11.035 141 HZ PHE 19 HZ PHE 19 -11.237 -5.837 -11.727 142 H GLU 20 H GLU 20 -11.385 -5.435 -3.926 143 HA GLU 20 HA GLU 20 -13.876 -4.286 -4.889 144 1HB GLU 20 1HB GLU 20 -13.870 -5.408 -2.020 145 2HB GLU 20 2HB GLU 20 -15.164 -5.260 -3.082 146 1HG GLU 20 1HG GLU 20 -13.061 -7.457 -3.595 147 2HG GLU 20 2HG GLU 20 -14.606 -7.701 -2.685 148 HE2 GLU 20 HE GLU 20 -16.298 -8.081 -5.629 149 H LYS 21 H LYS 21 -11.939 -3.634 -1.920 150 HA LYS 21 HA LYS 21 -13.199 -1.201 -1.321 151 1HB LYS 21 1HB LYS 21 -10.225 -1.725 -0.790 152 2HB LYS 21 2HB LYS 21 -10.976 -0.243 -0.262 153 1HG LYS 21 1HG LYS 21 -11.718 -3.076 0.701 154 2HG LYS 21 2HG LYS 21 -10.692 -2.075 1.461 155 1HD LYS 21 1HD LYS 21 -12.624 -0.321 1.920 156 2HD LYS 21 2HD LYS 21 -13.659 -1.457 1.008 157 1HE LYS 21 1HE LYS 21 -14.035 -1.854 3.476 158 2HE LYS 21 2HE LYS 21 -13.490 -3.338 2.719 159 1HZ LYS 21 1HZ LYS 21 -11.618 -3.291 3.843 160 2HZ LYS 21 2HZ LYS 21 -11.323 -1.745 3.953 161 H GLY 22 H GLY 22 -10.207 -1.539 -3.088 162 1HA GLY 22 1HA GLY 22 -9.576 1.065 -4.051 163 2HA GLY 22 2HA GLY 22 -9.228 -0.373 -5.031 164 H LYS 23 H LYS 23 -10.844 -0.989 -6.685 165 HA LYS 23 HA LYS 23 -12.654 0.974 -7.941 166 1HB LYS 23 1HB LYS 23 -11.230 -0.664 -9.349 167 2HB LYS 23 2HB LYS 23 -12.361 -1.921 -8.715 168 1HG LYS 23 1HG LYS 23 -14.396 -0.270 -9.598 169 2HG LYS 23 2HG LYS 23 -13.128 0.267 -10.688 170 1HD LYS 23 1HD LYS 23 -13.757 -2.658 -10.225 171 2HD LYS 23 2HD LYS 23 -14.560 -1.696 -11.478 172 1HE LYS 23 1HE LYS 23 -11.723 -2.527 -11.311 173 2HE LYS 23 2HE LYS 23 -12.865 -3.115 -12.401 174 1HZ LYS 23 1HZ LYS 23 -12.971 -0.817 -13.467 175 2HZ LYS 23 2HZ LYS 23 -11.907 -0.211 -12.270 176 H GLY 24 H GLY 24 -14.206 1.175 -6.645 177 1HA GLY 24 1HA GLY 24 -16.486 0.061 -6.677 178 2HA GLY 24 2HA GLY 24 -15.932 -0.953 -5.223 179 H SER 25 H SER 25 -14.573 0.826 -4.126 180 HA SER 25 HA SER 25 -16.663 2.047 -2.251 181 1HB SER 25 1HB SER 25 -14.040 0.884 -1.269 182 2HB SER 25 2HB SER 25 -15.191 1.696 -0.290 183 HG SER 25 HG SER 25 -15.134 -0.734 -0.659 184 H GLN 26 H GLN 26 -16.490 3.859 -2.718 185 HA GLN 26 HA GLN 26 -14.541 5.724 -3.640 186 1HB GLN 26 1HB GLN 26 -16.913 6.568 -1.963 187 2HB GLN 26 2HB GLN 26 -15.768 7.659 -2.668 188 1HG GLN 26 1HG GLN 26 -17.353 7.847 -4.248 189 2HG GLN 26 2HG GLN 26 -16.101 6.897 -4.975 190 1HE2 GLN 26 1HE2 GLN 26 -16.574 4.698 -5.457 191 2HE2 GLN 26 2HE2 GLN 26 -18.288 4.009 -5.289 192 H LYS 27 H LYS 27 -12.791 4.846 -2.414 193 HA LYS 27 HA LYS 27 -11.625 6.790 -0.402 194 1HB LYS 27 1HB LYS 27 -10.829 4.958 0.936 195 2HB LYS 27 2HB LYS 27 -12.598 5.107 0.980 196 1HG LYS 27 1HG LYS 27 -12.844 3.033 -0.225 197 2HG LYS 27 2HG LYS 27 -11.085 2.972 -0.579 198 1HD LYS 27 1HD LYS 27 -11.418 1.585 1.376 199 2HD LYS 27 2HD LYS 27 -10.775 2.970 2.120 200 1HE LYS 27 1HE LYS 27 -13.200 3.765 2.896 201 2HE LYS 27 2HE LYS 27 -13.723 2.238 2.188 202 1HZ LYS 27 1HZ LYS 27 -13.229 1.754 4.640 203 2HZ LYS 27 2HZ LYS 27 -12.068 0.986 3.854 204 H LEU 28 H LEU 28 -9.394 6.291 -0.128 205 HA LEU 28 HA LEU 28 -7.988 5.615 -2.716 206 1HB LEU 28 1HB LEU 28 -7.663 7.961 -1.959 207 2HB LEU 28 2HB LEU 28 -7.422 7.570 -0.396 208 HG LEU 28 HG LEU 28 -5.166 6.345 -1.011 209 1HD1 LEU 28 1HD1 LEU 28 -4.306 6.900 -3.572 210 2HD1 LEU 28 2HD1 LEU 28 -5.543 5.678 -3.221 211 3HD1 LEU 28 3HD1 LEU 28 -5.931 7.299 -3.831 212 1HD2 LEU 28 1HD2 LEU 28 -5.253 9.084 -2.112 213 2HD2 LEU 28 2HD2 LEU 28 -4.957 8.833 -0.413 214 3HD2 LEU 28 3HD2 LEU 28 -3.769 8.513 -1.563 215 H ILE 29 H ILE 29 -6.214 4.050 -2.351 216 HA ILE 29 HA ILE 29 -5.674 2.826 0.252 217 HB ILE 29 HB ILE 29 -5.940 0.519 -0.428 218 1HG1 ILE 29 1HG1 ILE 29 -6.660 1.160 -3.204 219 2HG1 ILE 29 2HG1 ILE 29 -5.028 0.777 -2.813 220 1HG2 ILE 29 1HG2 ILE 29 -8.377 0.193 -0.931 221 2HG2 ILE 29 2HG2 ILE 29 -8.226 1.687 0.040 222 3HG2 ILE 29 3HG2 ILE 29 -8.460 1.782 -1.724 223 1HD1 ILE 29 1HD1 ILE 29 -5.761 -1.598 -2.004 224 2HD1 ILE 29 2HD1 ILE 29 -7.421 -1.003 -2.360 225 3HD1 ILE 29 3HD1 ILE 29 -6.173 -1.328 -3.631 226 H VAL 30 H VAL 30 -3.674 2.261 0.359 227 HA VAL 30 HA VAL 30 -1.642 2.903 -1.772 228 HB VAL 30 HB VAL 30 -1.565 4.158 0.996 229 1HG1 VAL 30 1HG1 VAL 30 0.725 3.672 0.112 230 2HG1 VAL 30 2HG1 VAL 30 0.499 4.401 -1.292 231 3HG1 VAL 30 3HG1 VAL 30 0.575 5.319 0.304 232 1HG2 VAL 30 1HG2 VAL 30 -1.743 6.271 -0.105 233 2HG2 VAL 30 2HG2 VAL 30 -2.053 5.481 -1.652 234 3HG2 VAL 30 3HG2 VAL 30 -3.120 5.248 -0.233 235 H VAL 31 H VAL 31 0.005 1.327 -1.589 236 HA VAL 31 HA VAL 31 -0.374 -0.963 0.321 237 HB VAL 31 HB VAL 31 -2.024 -1.392 -0.957 238 1HG1 VAL 31 1HG1 VAL 31 -0.239 -0.905 -3.423 239 2HG1 VAL 31 2HG1 VAL 31 -1.411 -2.160 -3.512 240 3HG1 VAL 31 3HG1 VAL 31 -1.887 -0.511 -3.265 241 1HG2 VAL 31 1HG2 VAL 31 -1.546 -3.717 -1.728 242 2HG2 VAL 31 2HG2 VAL 31 0.199 -3.496 -1.758 243 3HG2 VAL 31 3HG2 VAL 31 -0.660 -3.501 -0.292 244 H ASP 32 H ASP 32 1.421 -1.396 0.968 245 HA ASP 32 HA ASP 32 3.943 -1.549 -0.612 246 1HB ASP 32 1HB ASP 32 3.591 -1.355 2.161 247 2HB ASP 32 2HB ASP 32 3.470 -3.080 2.076 248 HD2 ASP 32 HD ASP 32 7.206 -2.270 0.643 249 H PHE 33 H PHE 33 4.664 -3.069 -1.756 250 HA PHE 33 HA PHE 33 4.183 -6.030 -1.530 251 1HB PHE 33 1HB PHE 33 4.863 -4.098 -3.922 252 2HB PHE 33 2HB PHE 33 4.817 -5.966 -4.125 253 HD1 PHE 33 1HD PHE 33 2.678 -7.198 -3.518 254 HD2 PHE 33 2HD PHE 33 2.699 -2.926 -4.153 255 HE1 PHE 33 1HE PHE 33 0.052 -7.107 -3.916 256 HE2 PHE 33 2HE PHE 33 0.277 -3.047 -4.689 257 HZ PHE 33 HZ PHE 33 -0.942 -5.053 -4.477 258 H THR 34 H THR 34 5.942 -6.937 -0.775 259 HA THR 34 HA THR 34 8.656 -5.888 -0.806 260 HB THR 34 HB THR 34 7.476 -4.410 0.990 261 HG1 THR 34 1HG THR 34 9.197 -5.959 2.257 262 1HG2 THR 34 1HG2 THR 34 7.411 -6.670 2.909 263 2HG2 THR 34 2HG2 THR 34 6.878 -5.009 3.045 264 3HG2 THR 34 3HG2 THR 34 5.964 -6.039 2.023 265 H ALA 35 H ALA 35 9.861 -7.419 0.127 266 HA ALA 35 HA ALA 35 8.976 -10.095 0.610 267 1HB ALA 35 1HB ALA 35 11.611 -10.076 0.918 268 2HB ALA 35 2HB ALA 35 10.877 -10.037 -0.686 269 3HB ALA 35 3HB ALA 35 11.493 -8.579 0.165 270 H SER 36 H SER 36 8.847 -10.871 2.696 271 HA SER 36 HA SER 36 8.903 -9.291 5.108 272 1HB SER 36 1HB SER 36 7.813 -11.373 5.182 273 2HB SER 36 2HB SER 36 9.349 -12.230 5.125 274 HG SER 36 HG SER 36 8.472 -10.666 7.228 275 H TRP 37 H TRP 37 11.409 -10.988 3.800 276 HA TRP 37 HA TRP 37 13.459 -10.189 5.845 277 1HB TRP 37 1HB TRP 37 15.056 -11.167 4.238 278 2HB TRP 37 2HB TRP 37 13.851 -12.326 4.876 279 HD1 TRP 37 HD TRP 37 11.818 -13.098 2.754 280 HE1 TRP 37 1HE TRP 37 11.952 -12.943 0.033 281 HE3 TRP 37 3HE TRP 37 16.354 -10.440 2.225 282 HZ2 TRP 37 2HZ TRP 37 13.722 -12.078 -1.726 283 HZ3 TRP 37 3HZ TRP 37 17.056 -9.975 -0.051 284 HH2 TRP 37 HH TRP 37 15.892 -10.813 -1.993 285 H CYS 38 H CYS 38 12.965 -7.951 5.899 286 HA CYS 38 HA CYS 38 15.039 -6.355 4.265 287 1HB CYS 38 1HB CYS 38 12.858 -6.345 2.736 288 2HB CYS 38 2HB CYS 38 11.900 -5.596 4.003 289 HG CYS 38 HG CYS 38 14.784 -4.432 2.644 290 HA PRO 39 HA PRO 39 15.145 -4.495 8.495 291 1HB PRO 39 1HB PRO 39 17.758 -3.542 7.605 292 2HB PRO 39 2HB PRO 39 17.256 -4.227 9.123 293 1HG PRO 39 1HG PRO 39 18.470 -5.982 7.348 294 2HG PRO 39 2HG PRO 39 17.176 -6.595 8.334 295 1HD PRO 39 1HD PRO 39 17.155 -5.987 5.406 296 2HD PRO 39 2HD PRO 39 16.302 -7.272 6.533 297 HA PRO 40 HA PRO 40 15.141 -0.127 6.106 298 1HB PRO 40 1HB PRO 40 14.426 -1.454 3.538 299 2HB PRO 40 2HB PRO 40 15.219 0.155 3.710 300 1HG PRO 40 1HG PRO 40 16.750 -1.849 3.112 301 2HG PRO 40 2HG PRO 40 17.241 -0.584 4.379 302 1HD PRO 40 1HD PRO 40 16.341 -3.511 4.596 303 2HD PRO 40 2HD PRO 40 17.543 -2.501 5.706 304 H CYS 41 H CYS 41 12.916 -2.738 4.909 305 HA CYS 41 HA CYS 41 10.534 -1.090 5.406 306 1HB CYS 41 1HB CYS 41 10.550 -3.969 4.570 307 2HB CYS 41 2HB CYS 41 9.184 -2.940 4.532 308 HG CYS 41 HG CYS 41 9.744 -1.559 2.377 309 H LYS 42 H LYS 42 12.248 -3.343 7.333 310 HA LYS 42 HA LYS 42 10.247 -3.449 9.451 311 1HB LYS 42 1HB LYS 42 12.592 -4.874 9.328 312 2HB LYS 42 2HB LYS 42 13.170 -3.386 10.248 313 1HG LYS 42 1HG LYS 42 11.175 -3.846 11.894 314 2HG LYS 42 2HG LYS 42 11.073 -5.376 11.081 315 1HD LYS 42 1HD LYS 42 13.650 -5.875 11.893 316 2HD LYS 42 2HD LYS 42 13.616 -4.292 12.480 317 1HE LYS 42 1HE LYS 42 13.267 -5.982 14.206 318 2HE LYS 42 2HE LYS 42 11.788 -4.963 14.230 319 1HZ LYS 42 1HZ LYS 42 12.004 -7.416 12.784 320 2HZ LYS 42 2HZ LYS 42 11.716 -7.505 14.353 321 H MET 43 H MET 43 12.444 -0.944 8.827 322 HA MET 43 HA MET 43 11.320 0.776 11.015 323 1HB MET 43 1HB MET 43 12.490 2.638 10.544 324 2HB MET 43 2HB MET 43 13.600 1.321 10.504 325 1HG MET 43 1HG MET 43 13.585 1.402 7.910 326 2HG MET 43 2HG MET 43 12.572 2.771 7.932 327 1HE MET 43 1HE MET 43 15.501 5.035 7.365 328 2HE MET 43 2HE MET 43 15.858 3.374 6.765 329 3HE MET 43 3HE MET 43 14.305 3.979 6.630 330 H ILE 44 H ILE 44 10.894 0.911 7.402 331 HA ILE 44 HA ILE 44 8.737 2.588 7.351 332 HB ILE 44 HB ILE 44 10.046 1.356 5.233 333 1HG1 ILE 44 1HG1 ILE 44 8.448 2.574 3.713 334 2HG1 ILE 44 2HG1 ILE 44 7.508 3.142 5.049 335 1HG2 ILE 44 1HG2 ILE 44 7.275 0.348 4.823 336 2HG2 ILE 44 2HG2 ILE 44 8.788 -0.077 3.998 337 3HG2 ILE 44 3HG2 ILE 44 8.439 -0.744 5.478 338 1HD1 ILE 44 1HD1 ILE 44 9.304 4.418 6.208 339 2HD1 ILE 44 2HD1 ILE 44 10.355 3.745 4.937 340 3HD1 ILE 44 3HD1 ILE 44 9.113 4.889 4.454 341 H ALA 45 H ALA 45 8.170 -0.660 8.451 342 HA ALA 45 HA ALA 45 5.257 -0.454 8.160 343 1HB ALA 45 1HB ALA 45 7.112 -2.304 9.847 344 2HB ALA 45 2HB ALA 45 5.303 -2.430 9.758 345 3HB ALA 45 3HB ALA 45 6.399 -2.716 8.346 346 HA PRO 46 HA PRO 46 5.270 1.595 12.682 347 1HB PRO 46 1HB PRO 46 8.157 2.583 12.726 348 2HB PRO 46 2HB PRO 46 7.018 2.215 14.052 349 1HG PRO 46 1HG PRO 46 8.984 0.472 13.252 350 2HG PRO 46 2HG PRO 46 7.432 -0.105 13.889 351 1HD PRO 46 1HD PRO 46 8.394 -0.108 11.020 352 2HD PRO 46 2HD PRO 46 7.178 -1.188 11.838 353 H ILE 47 H ILE 47 7.414 3.144 10.046 354 HA ILE 47 HA ILE 47 6.064 5.679 10.288 355 HB ILE 47 HB ILE 47 7.531 4.433 7.949 356 1HG1 ILE 47 1HG1 ILE 47 9.045 4.712 9.801 357 2HG1 ILE 47 2HG1 ILE 47 9.457 5.971 8.516 358 1HG2 ILE 47 1HG2 ILE 47 5.789 6.295 7.152 359 2HG2 ILE 47 2HG2 ILE 47 6.882 7.388 7.838 360 3HG2 ILE 47 3HG2 ILE 47 7.478 6.414 6.562 361 1HD1 ILE 47 1HD1 ILE 47 9.558 6.861 10.737 362 2HD1 ILE 47 2HD1 ILE 47 8.114 7.712 9.905 363 3HD1 ILE 47 3HD1 ILE 47 7.885 6.396 11.094 364 H PHE 48 H PHE 48 5.159 3.094 8.265 365 HA PHE 48 HA PHE 48 2.913 4.386 6.885 366 1HB PHE 48 1HB PHE 48 4.331 2.335 6.153 367 2HB PHE 48 2HB PHE 48 3.389 1.369 7.464 368 HD1 PHE 48 1HD PHE 48 2.391 -0.229 6.280 369 HD2 PHE 48 2HD PHE 48 2.426 3.658 4.588 370 HE1 PHE 48 1HE PHE 48 1.074 -1.106 4.283 371 HE2 PHE 48 2HE PHE 48 1.492 2.713 2.455 372 HZ PHE 48 HZ PHE 48 0.798 0.475 2.394 373 H ALA 49 H ALA 49 3.045 2.570 10.110 374 HA ALA 49 HA ALA 49 0.284 2.609 10.789 375 1HB ALA 49 1HB ALA 49 2.006 1.123 11.675 376 2HB ALA 49 2HB ALA 49 2.641 2.432 12.756 377 3HB ALA 49 3HB ALA 49 0.930 1.869 12.937 378 H GLU 50 H GLU 50 3.072 4.814 11.764 379 HA GLU 50 HA GLU 50 1.529 6.768 13.315 380 1HB GLU 50 1HB GLU 50 4.031 6.470 13.268 381 2HB GLU 50 2HB GLU 50 4.199 6.798 11.709 382 1HG GLU 50 1HG GLU 50 2.995 9.153 13.435 383 2HG GLU 50 2HG GLU 50 4.701 8.760 13.774 384 HE2 GLU 50 HE GLU 50 3.565 10.930 10.684 385 H LEU 51 H LEU 51 2.760 7.013 9.848 386 HA LEU 51 HA LEU 51 1.213 9.076 8.815 387 1HB LEU 51 1HB LEU 51 3.114 7.997 7.759 388 2HB LEU 51 2HB LEU 51 2.403 6.412 7.766 389 HG LEU 51 HG LEU 51 2.733 7.825 5.566 390 1HD1 LEU 51 1HD1 LEU 51 0.000 6.575 5.790 391 2HD1 LEU 51 2HD1 LEU 51 1.170 6.265 4.465 392 3HD1 LEU 51 3HD1 LEU 51 1.288 5.541 6.087 393 1HD2 LEU 51 1HD2 LEU 51 1.065 9.784 6.541 394 2HD2 LEU 51 2HD2 LEU 51 0.921 9.401 4.870 395 3HD2 LEU 51 3HD2 LEU 51 -0.258 8.781 6.039 396 H ALA 52 H ALA 52 0.060 5.834 9.310 397 HA ALA 52 HA ALA 52 -2.672 6.145 8.217 398 1HB ALA 52 1HB ALA 52 -1.656 4.024 8.332 399 2HB ALA 52 2HB ALA 52 -1.624 3.943 10.091 400 3HB ALA 52 3HB ALA 52 -3.170 3.905 9.291 401 H LYS 53 H LYS 53 -1.349 6.628 11.415 402 HA LYS 53 HA LYS 53 -3.844 7.423 12.743 403 1HB LYS 53 1HB LYS 53 -0.933 7.813 13.540 404 2HB LYS 53 2HB LYS 53 -2.213 8.680 14.320 405 1HG LYS 53 1HG LYS 53 -3.250 6.325 14.928 406 2HG LYS 53 2HG LYS 53 -1.760 5.629 14.295 407 1HD LYS 53 1HD LYS 53 -2.068 7.694 16.542 408 2HD LYS 53 2HD LYS 53 -1.920 6.089 17.012 409 1HE LYS 53 1HE LYS 53 0.540 5.948 16.085 410 2HE LYS 53 2HE LYS 53 0.269 7.696 15.582 411 1HZ LYS 53 1HZ LYS 53 0.073 6.907 18.522 412 2HZ LYS 53 2HZ LYS 53 1.496 7.261 17.838 413 H LYS 54 H LYS 54 -1.590 9.046 10.631 414 HA LYS 54 HA LYS 54 -2.505 11.798 11.126 415 1HB LYS 54 1HB LYS 54 -0.189 11.181 10.747 416 2HB LYS 54 2HB LYS 54 -0.505 10.789 9.120 417 1HG LYS 54 1HG LYS 54 -1.397 13.106 8.719 418 2HG LYS 54 2HG LYS 54 -1.169 13.502 10.349 419 1HD LYS 54 1HD LYS 54 1.074 12.453 8.272 420 2HD LYS 54 2HD LYS 54 0.844 14.199 8.572 421 1HE LYS 54 1HE LYS 54 1.537 14.159 10.812 422 2HE LYS 54 2HE LYS 54 1.667 12.374 10.948 423 1HZ LYS 54 1HZ LYS 54 3.251 13.811 8.868 424 2HZ LYS 54 2HZ LYS 54 3.844 13.309 10.433 425 H PHE 55 H PHE 55 -3.377 9.272 8.949 426 HA PHE 55 HA PHE 55 -4.991 10.958 7.097 427 1HB PHE 55 1HB PHE 55 -2.738 9.028 6.794 428 2HB PHE 55 2HB PHE 55 -3.895 8.866 5.652 429 HD1 PHE 55 1HD PHE 55 -4.734 11.130 4.437 430 HD2 PHE 55 2HD PHE 55 -0.995 10.796 6.649 431 HE1 PHE 55 1HE PHE 55 -3.787 13.315 3.478 432 HE2 PHE 55 2HE PHE 55 -0.413 13.084 5.825 433 HZ PHE 55 HZ PHE 55 -1.666 14.202 4.224 434 HA PRO 56 HA PRO 56 -8.372 7.887 8.307 435 1HB PRO 56 1HB PRO 56 -10.509 9.470 8.387 436 2HB PRO 56 2HB PRO 56 -9.326 9.145 9.716 437 1HG PRO 56 1HG PRO 56 -9.253 11.282 7.508 438 2HG PRO 56 2HG PRO 56 -9.080 11.686 9.289 439 1HD PRO 56 1HD PRO 56 -6.985 11.615 7.497 440 2HD PRO 56 2HD PRO 56 -6.811 11.029 9.220 441 H ASN 57 H ASN 57 -7.964 9.242 5.202 442 HA ASN 57 HA ASN 57 -10.575 8.483 4.103 443 1HB ASN 57 1HB ASN 57 -10.230 9.985 2.216 444 2HB ASN 57 2HB ASN 57 -9.837 10.881 3.647 445 1HD2 ASN 57 1HD2 ASN 57 -7.742 11.688 3.922 446 2HD2 ASN 57 2HD2 ASN 57 -6.530 11.599 2.576 447 H VAL 58 H VAL 58 -7.714 7.283 4.583 448 HA VAL 58 HA VAL 58 -7.409 5.696 2.035 449 HB VAL 58 HB VAL 58 -6.251 7.747 1.886 450 1HG1 VAL 58 1HG1 VAL 58 -4.814 7.026 4.463 451 2HG1 VAL 58 2HG1 VAL 58 -4.259 8.344 3.457 452 3HG1 VAL 58 3HG1 VAL 58 -5.815 8.470 4.333 453 1HG2 VAL 58 1HG2 VAL 58 -4.001 6.836 1.439 454 2HG2 VAL 58 2HG2 VAL 58 -4.293 5.482 2.500 455 3HG2 VAL 58 3HG2 VAL 58 -5.251 5.663 1.017 456 H THR 59 H THR 59 -7.879 3.738 2.630 457 HA THR 59 HA THR 59 -6.668 2.170 4.821 458 HB THR 59 HB THR 59 -7.937 1.534 2.121 459 HG1 THR 59 1HG THR 59 -8.805 0.319 4.301 460 1HG2 THR 59 1HG2 THR 59 -8.058 -0.832 2.316 461 2HG2 THR 59 2HG2 THR 59 -6.241 -0.504 2.247 462 3HG2 THR 59 3HG2 THR 59 -6.988 -0.785 3.794 463 H PHE 60 H PHE 60 -5.094 0.538 4.822 464 HA PHE 60 HA PHE 60 -2.938 0.960 2.922 465 1HB PHE 60 1HB PHE 60 -2.441 1.182 6.068 466 2HB PHE 60 2HB PHE 60 -1.269 1.204 4.778 467 HD1 PHE 60 1HD PHE 60 -0.751 2.991 3.265 468 HD2 PHE 60 2HD PHE 60 -3.592 3.416 6.476 469 HE1 PHE 60 1HE PHE 60 -0.912 5.348 2.867 470 HE2 PHE 60 2HE PHE 60 -3.650 5.847 6.069 471 HZ PHE 60 HZ PHE 60 -2.349 6.847 4.324 472 H LEU 61 H LEU 61 -1.998 -0.808 2.577 473 HA LEU 61 HA LEU 61 -2.332 -3.196 4.308 474 1HB LEU 61 1HB LEU 61 -3.843 -4.431 3.189 475 2HB LEU 61 2HB LEU 61 -4.304 -2.747 2.651 476 HG LEU 61 HG LEU 61 -2.729 -2.974 0.578 477 1HD1 LEU 61 1HD1 LEU 61 -3.418 -6.092 1.009 478 2HD1 LEU 61 2HD1 LEU 61 -2.641 -5.205 -0.277 479 3HD1 LEU 61 3HD1 LEU 61 -1.904 -5.232 1.367 480 1HD2 LEU 61 1HD2 LEU 61 -5.384 -2.899 0.748 481 2HD2 LEU 61 2HD2 LEU 61 -4.793 -3.745 -0.658 482 3HD2 LEU 61 3HD2 LEU 61 -5.403 -4.657 0.804 483 H LYS 62 H LYS 62 -0.995 -4.886 3.647 484 HA LYS 62 HA LYS 62 1.609 -4.328 2.262 485 1HB LYS 62 1HB LYS 62 3.344 -4.464 3.857 486 2HB LYS 62 2HB LYS 62 2.245 -3.185 4.456 487 1HG LYS 62 1HG LYS 62 1.154 -5.228 5.831 488 2HG LYS 62 2HG LYS 62 2.657 -5.943 5.515 489 1HD LYS 62 1HD LYS 62 3.931 -4.289 6.613 490 2HD LYS 62 2HD LYS 62 2.605 -3.094 6.675 491 1HE LYS 62 1HE LYS 62 1.443 -4.933 8.330 492 2HE LYS 62 2HE LYS 62 2.882 -5.916 8.230 493 1HZ LYS 62 1HZ LYS 62 2.787 -4.354 10.056 494 2HZ LYS 62 2HZ LYS 62 2.711 -3.053 9.026 495 H VAL 63 H VAL 63 1.860 -5.758 1.036 496 HA VAL 63 HA VAL 63 0.991 -8.556 1.391 497 HB VAL 63 HB VAL 63 1.645 -6.897 -1.021 498 1HG1 VAL 63 1HG1 VAL 63 1.010 -8.990 -2.529 499 2HG1 VAL 63 2HG1 VAL 63 2.642 -9.154 -1.660 500 3HG1 VAL 63 3HG1 VAL 63 1.189 -10.063 -1.174 501 1HG2 VAL 63 1HG2 VAL 63 -0.505 -6.674 -0.337 502 2HG2 VAL 63 2HG2 VAL 63 -0.659 -7.635 -1.822 503 3HG2 VAL 63 3HG2 VAL 63 -0.850 -8.334 -0.214 504 H ASP 64 H ASP 64 2.262 -9.993 1.934 505 HA ASP 64 HA ASP 64 5.236 -9.795 1.652 506 1HB ASP 64 1HB ASP 64 4.193 -11.015 3.609 507 2HB ASP 64 2HB ASP 64 3.408 -12.173 2.573 508 HD2 ASP 64 HD ASP 64 6.227 -13.766 3.783 509 H VAL 65 H VAL 65 5.999 -9.804 -0.328 510 HA VAL 65 HA VAL 65 5.075 -11.014 -2.656 511 HB VAL 65 HB VAL 65 7.072 -9.160 -2.300 512 1HG1 VAL 65 1HG1 VAL 65 9.173 -9.849 -2.627 513 2HG1 VAL 65 2HG1 VAL 65 8.814 -11.054 -1.538 514 3HG1 VAL 65 3HG1 VAL 65 8.743 -11.600 -3.034 515 1HG2 VAL 65 1HG2 VAL 65 6.725 -10.855 -4.769 516 2HG2 VAL 65 2HG2 VAL 65 5.947 -9.274 -4.404 517 3HG2 VAL 65 3HG2 VAL 65 7.725 -9.387 -4.611 518 H ASP 66 H ASP 66 7.274 -12.303 -0.455 519 HA ASP 66 HA ASP 66 7.776 -14.880 -1.701 520 1HB ASP 66 1HB ASP 66 7.581 -14.402 1.331 521 2HB ASP 66 2HB ASP 66 7.927 -15.900 0.779 522 HD2 ASP 66 HD ASP 66 11.037 -14.618 1.745 523 H GLU 67 H GLU 67 5.008 -14.162 0.289 524 HA GLU 67 HA GLU 67 3.425 -16.486 -0.521 525 1HB GLU 67 1HB GLU 67 2.496 -13.970 0.861 526 2HB GLU 67 2HB GLU 67 1.286 -14.866 -0.015 527 1HG GLU 67 1HG GLU 67 1.097 -15.827 2.112 528 2HG GLU 67 2HG GLU 67 2.083 -17.082 1.136 529 HE2 GLU 67 HE GLU 67 4.972 -15.910 3.074 530 H LEU 68 H LEU 68 3.653 -13.466 -2.213 531 HA LEU 68 HA LEU 68 1.696 -14.007 -4.401 532 1HB LEU 68 1HB LEU 68 1.271 -11.790 -2.312 533 2HB LEU 68 2HB LEU 68 0.573 -11.653 -3.817 534 HG LEU 68 HG LEU 68 -0.149 -13.566 -1.500 535 1HD1 LEU 68 1HD1 LEU 68 -2.158 -12.346 -1.585 536 2HD1 LEU 68 2HD1 LEU 68 -0.730 -11.291 -1.089 537 3HD1 LEU 68 3HD1 LEU 68 -1.631 -11.161 -2.718 538 1HD2 LEU 68 1HD2 LEU 68 -0.524 -14.804 -3.480 539 2HD2 LEU 68 2HD2 LEU 68 -2.047 -14.286 -2.829 540 3HD2 LEU 68 3HD2 LEU 68 -1.543 -13.487 -4.267 541 H LYS 69 H LYS 69 3.766 -14.004 -4.768 542 HA LYS 69 HA LYS 69 5.091 -11.691 -6.074 543 1HB LYS 69 1HB LYS 69 6.750 -12.915 -7.092 544 2HB LYS 69 2HB LYS 69 6.600 -13.351 -5.420 545 1HG LYS 69 1HG LYS 69 5.378 -15.572 -6.115 546 2HG LYS 69 2HG LYS 69 5.560 -15.092 -7.730 547 1HD LYS 69 1HD LYS 69 7.979 -15.165 -7.366 548 2HD LYS 69 2HD LYS 69 7.810 -15.503 -5.621 549 1HE LYS 69 1HE LYS 69 6.715 -17.790 -6.371 550 2HE LYS 69 2HE LYS 69 6.802 -17.381 -7.949 551 1HZ LYS 69 1HZ LYS 69 9.097 -17.995 -6.217 552 2HZ LYS 69 2HZ LYS 69 8.701 -18.686 -7.645 553 H ALA 70 H ALA 70 3.062 -14.123 -7.513 554 HA ALA 70 HA ALA 70 3.229 -13.156 -10.184 555 1HB ALA 70 1HB ALA 70 1.227 -14.312 -10.690 556 2HB ALA 70 2HB ALA 70 2.300 -15.265 -9.758 557 3HB ALA 70 3HB ALA 70 0.921 -14.714 -8.904 558 H VAL 71 H VAL 71 0.739 -12.616 -7.873 559 HA VAL 71 HA VAL 71 -0.577 -10.498 -9.441 560 HB VAL 71 HB VAL 71 -1.916 -11.745 -7.847 561 1HG1 VAL 71 1HG1 VAL 71 -1.791 -11.314 -5.495 562 2HG1 VAL 71 2HG1 VAL 71 -0.174 -11.685 -6.059 563 3HG1 VAL 71 3HG1 VAL 71 -0.404 -10.122 -5.783 564 1HG2 VAL 71 1HG2 VAL 71 -3.250 -9.648 -6.972 565 2HG2 VAL 71 2HG2 VAL 71 -1.948 -8.650 -7.737 566 3HG2 VAL 71 3HG2 VAL 71 -2.815 -9.573 -8.704 567 H ALA 72 H ALA 72 1.800 -10.146 -6.908 568 HA ALA 72 HA ALA 72 1.821 -7.161 -6.801 569 1HB ALA 72 1HB ALA 72 4.068 -7.187 -6.127 570 2HB ALA 72 2HB ALA 72 3.392 -8.568 -5.204 571 3HB ALA 72 3HB ALA 72 4.341 -8.852 -6.727 572 H GLU 73 H GLU 73 3.555 -9.309 -8.717 573 HA GLU 73 HA GLU 73 5.086 -7.560 -10.553 574 1HB GLU 73 1HB GLU 73 4.015 -10.366 -10.614 575 2HB GLU 73 2HB GLU 73 4.726 -9.795 -12.058 576 1HG GLU 73 1HG GLU 73 6.917 -9.280 -10.782 577 2HG GLU 73 2HG GLU 73 6.346 -9.916 -9.301 578 HE2 GLU 73 HE GLU 73 8.131 -12.073 -12.175 579 H GLU 74 H GLU 74 1.828 -8.978 -10.749 580 HA GLU 74 HA GLU 74 1.128 -7.821 -13.422 581 1HB GLU 74 1HB GLU 74 -0.695 -8.847 -13.428 582 2HB GLU 74 2HB GLU 74 0.045 -9.886 -12.233 583 1HG GLU 74 1HG GLU 74 -1.429 -8.772 -10.511 584 2HG GLU 74 2HG GLU 74 -1.929 -7.551 -11.698 585 HE2 GLU 74 HE GLU 74 -3.612 -7.866 -12.942 586 H TRP 75 H TRP 75 0.359 -6.576 -10.278 587 HA TRP 75 HA TRP 75 -1.149 -4.141 -11.058 588 1HB TRP 75 1HB TRP 75 0.498 -4.176 -8.383 589 2HB TRP 75 2HB TRP 75 -0.606 -3.103 -8.966 590 HD1 TRP 75 HD TRP 75 -0.271 -5.934 -6.801 591 HE1 TRP 75 1HE TRP 75 -2.269 -7.443 -6.284 592 HE3 TRP 75 3HE TRP 75 -3.284 -3.976 -10.494 593 HZ2 TRP 75 2HZ TRP 75 -4.774 -7.543 -7.248 594 HZ3 TRP 75 3HZ TRP 75 -5.318 -5.390 -11.039 595 HH2 TRP 75 HH TRP 75 -6.034 -7.106 -9.423 596 H ASN 76 H ASN 76 2.241 -4.467 -10.205 597 HA ASN 76 HA ASN 76 3.550 -4.224 -12.340 598 1HB ASN 76 1HB ASN 76 2.495 -2.422 -13.469 599 2HB ASN 76 2HB ASN 76 3.214 -1.254 -12.426 600 1HD2 ASN 76 1HD2 ASN 76 5.704 -1.083 -12.500 601 2HD2 ASN 76 2HD2 ASN 76 6.259 -1.441 -14.196 602 H VAL 77 H VAL 77 4.592 -5.252 -10.569 603 HA VAL 77 HA VAL 77 6.757 -3.661 -9.153 604 HB VAL 77 HB VAL 77 5.299 -6.159 -8.152 605 1HG1 VAL 77 1HG1 VAL 77 7.135 -4.618 -6.368 606 2HG1 VAL 77 2HG1 VAL 77 6.314 -6.242 -6.172 607 3HG1 VAL 77 3HG1 VAL 77 7.612 -5.929 -7.394 608 1HG2 VAL 77 1HG2 VAL 77 4.094 -4.954 -6.390 609 2HG2 VAL 77 2HG2 VAL 77 4.718 -3.361 -7.037 610 3HG2 VAL 77 3HG2 VAL 77 3.611 -4.181 -7.964 611 H GLU 78 H GLU 78 7.826 -4.170 -11.103 612 HA GLU 78 HA GLU 78 9.461 -6.580 -11.233 613 1HB GLU 78 1HB GLU 78 10.645 -5.372 -12.931 614 2HB GLU 78 2HB GLU 78 8.961 -5.063 -13.251 615 1HG GLU 78 1HG GLU 78 9.640 -2.710 -11.384 616 2HG GLU 78 2HG GLU 78 11.079 -3.186 -12.191 617 HE2 GLU 78 HE GLU 78 10.249 -1.086 -12.522 618 H ALA 79 H ALA 79 9.386 -4.347 -8.732 619 HA ALA 79 HA ALA 79 12.042 -5.188 -7.733 620 1HB ALA 79 1HB ALA 79 12.394 -2.636 -7.340 621 2HB ALA 79 2HB ALA 79 12.648 -3.041 -8.958 622 3HB ALA 79 3HB ALA 79 11.166 -2.238 -8.407 623 H MET 80 H MET 80 12.455 -5.216 -5.856 624 HA MET 80 HA MET 80 10.551 -4.699 -3.523 625 1HB MET 80 1HB MET 80 13.004 -6.604 -3.784 626 2HB MET 80 2HB MET 80 12.929 -5.598 -2.468 627 1HG MET 80 1HG MET 80 11.874 -7.715 -2.063 628 2HG MET 80 2HG MET 80 10.807 -6.412 -1.765 629 1HE MET 80 1HE MET 80 8.703 -6.255 -4.781 630 2HE MET 80 2HE MET 80 7.843 -7.418 -3.907 631 3HE MET 80 3HE MET 80 8.637 -6.266 -2.914 632 HA PRO 81 HA PRO 81 9.517 -3.104 -3.423 633 1HB PRO 81 1HB PRO 81 9.031 -2.669 -0.681 634 2HB PRO 81 2HB PRO 81 10.156 -3.827 -1.142 635 1HG PRO 81 2HG PRO 81 10.753 -1.406 0.130 636 2HG PRO 81 1HG PRO 81 11.767 -2.917 0.079 637 1HD PRO 81 1HD PRO 81 11.975 -0.478 -1.676 638 2HD PRO 81 2HD PRO 81 13.074 -1.899 -1.438 639 H THR 82 H THR 82 7.923 -2.438 -3.433 640 HA THR 82 HA THR 82 7.556 0.399 -4.433 641 HB THR 82 HB THR 82 6.177 -2.146 -5.571 642 HG1 THR 82 1HG THR 82 8.561 -2.369 -5.950 643 1HG2 THR 82 1HG2 THR 82 5.235 0.054 -6.411 644 2HG2 THR 82 2HG2 THR 82 6.641 0.398 -7.128 645 3HG2 THR 82 3HG2 THR 82 5.794 -1.197 -7.625 646 H PHE 83 H PHE 83 5.653 1.171 -4.645 647 HA PHE 83 HA PHE 83 3.687 0.715 -2.405 648 1HB PHE 83 1HB PHE 83 5.419 3.407 -2.680 649 2HB PHE 83 2HB PHE 83 3.930 3.409 -1.966 650 HD1 PHE 83 1HD PHE 83 7.265 1.680 -1.906 651 HD2 PHE 83 2HD PHE 83 3.546 2.489 0.392 652 HE1 PHE 83 1HE PHE 83 8.137 0.573 0.005 653 HE2 PHE 83 2HE PHE 83 4.477 1.233 2.326 654 HZ PHE 83 HZ PHE 83 6.742 0.466 2.278 655 H ILE 84 H ILE 84 1.792 1.112 -3.499 656 HA ILE 84 HA ILE 84 1.517 2.277 -6.220 657 HB ILE 84 HB ILE 84 1.343 -0.740 -5.594 658 1HG1 ILE 84 1HG1 ILE 84 2.021 0.637 -8.136 659 2HG1 ILE 84 2HG1 ILE 84 3.135 0.679 -6.753 660 1HG2 ILE 84 1HG2 ILE 84 -0.608 0.464 -7.702 661 2HG2 ILE 84 2HG2 ILE 84 -0.174 -1.202 -7.300 662 3HG2 ILE 84 3HG2 ILE 84 -1.151 -0.387 -6.217 663 1HD1 ILE 84 1HD1 ILE 84 2.966 -1.964 -6.797 664 2HD1 ILE 84 2HD1 ILE 84 1.812 -1.825 -8.137 665 3HD1 ILE 84 3HD1 ILE 84 3.537 -1.243 -8.339 666 H PHE 85 H PHE 85 -0.283 3.001 -6.636 667 HA PHE 85 HA PHE 85 -1.951 3.827 -4.437 668 1HB PHE 85 1HB PHE 85 -0.463 5.562 -6.522 669 2HB PHE 85 2HB PHE 85 -1.941 6.018 -5.836 670 HD1 PHE 85 1HD PHE 85 1.564 4.610 -5.112 671 HD2 PHE 85 2HD PHE 85 -1.539 7.361 -3.630 672 HE1 PHE 85 1HE PHE 85 2.948 5.349 -3.345 673 HE2 PHE 85 2HE PHE 85 0.064 8.206 -1.996 674 HZ PHE 85 HZ PHE 85 2.287 7.030 -1.666 675 H LEU 86 H LEU 86 -3.822 3.158 -4.859 676 HA LEU 86 HA LEU 86 -5.189 2.899 -7.508 677 1HB LEU 86 1HB LEU 86 -3.917 0.738 -6.183 678 2HB LEU 86 2HB LEU 86 -5.291 0.796 -5.166 679 HG LEU 86 HG LEU 86 -5.688 -0.914 -6.738 680 1HD1 LEU 86 1HD1 LEU 86 -7.747 -0.568 -7.815 681 2HD1 LEU 86 2HD1 LEU 86 -7.720 0.396 -6.364 682 3HD1 LEU 86 3HD1 LEU 86 -7.466 1.156 -7.903 683 1HD2 LEU 86 1HD2 LEU 86 -5.583 -0.534 -9.335 684 2HD2 LEU 86 2HD2 LEU 86 -4.554 0.758 -8.805 685 3HD2 LEU 86 3HD2 LEU 86 -4.107 -0.893 -8.412 686 H LYS 87 H LYS 87 -6.750 3.860 -7.374 687 HA LYS 87 HA LYS 87 -8.537 4.427 -5.014 688 1HB LYS 87 1HB LYS 87 -6.901 6.240 -6.321 689 2HB LYS 87 2HB LYS 87 -8.203 6.272 -7.431 690 1HG LYS 87 1HG LYS 87 -9.691 6.943 -5.569 691 2HG LYS 87 2HG LYS 87 -8.575 6.736 -4.311 692 1HD LYS 87 1HD LYS 87 -7.052 8.539 -5.600 693 2HD LYS 87 2HD LYS 87 -8.286 8.759 -6.649 694 1HE LYS 87 1HE LYS 87 -9.714 9.896 -5.165 695 2HE LYS 87 2HE LYS 87 -8.960 9.104 -3.691 696 1HZ LYS 87 1HZ LYS 87 -8.454 11.269 -3.795 697 2HZ LYS 87 2HZ LYS 87 -7.026 10.785 -4.095 698 H ASP 88 H ASP 88 -11.018 4.844 -5.258 699 HA ASP 88 HA ASP 88 -12.304 3.732 -7.338 700 1HB ASP 88 1HB ASP 88 -14.212 5.006 -6.876 701 2HB ASP 88 2HB ASP 88 -13.491 4.498 -5.436 702 HD2 ASP 88 HD ASP 88 -12.493 7.926 -4.622 703 H GLY 89 H GLY 89 -10.106 4.562 -8.780 704 1HA GLY 89 1HA GLY 89 -11.404 5.075 -11.299 705 2HA GLY 89 2HA GLY 89 -10.517 6.567 -10.805 706 H LYS 90 H LYS 90 -9.947 3.042 -10.366 707 HA LYS 90 HA LYS 90 -8.415 1.495 -10.753 708 1HB LYS 90 1HB LYS 90 -8.523 2.707 -13.577 709 2HB LYS 90 2HB LYS 90 -7.173 1.747 -13.329 710 1HG LYS 90 1HG LYS 90 -8.387 -0.151 -12.288 711 2HG LYS 90 2HG LYS 90 -9.862 0.573 -12.481 712 1HD LYS 90 1HD LYS 90 -7.976 -0.511 -14.559 713 2HD LYS 90 2HD LYS 90 -9.470 -1.099 -14.224 714 1HE LYS 90 1HE LYS 90 -10.783 0.966 -15.225 715 2HE LYS 90 2HE LYS 90 -9.117 1.603 -15.515 716 1HZ LYS 90 1HZ LYS 90 -8.681 -0.143 -16.904 717 2HZ LYS 90 2HZ LYS 90 -10.078 0.768 -17.328 718 H LEU 91 H LEU 91 -5.738 1.594 -12.101 719 HA LEU 91 HA LEU 91 -4.103 2.534 -9.892 720 1HB LEU 91 1HB LEU 91 -3.259 0.714 -11.448 721 2HB LEU 91 2HB LEU 91 -3.384 1.693 -12.862 722 HG LEU 91 HG LEU 91 -1.491 3.041 -11.466 723 1HD1 LEU 91 1HD1 LEU 91 -1.651 1.591 -9.374 724 2HD1 LEU 91 2HD1 LEU 91 -0.866 0.288 -10.189 725 3HD1 LEU 91 3HD1 LEU 91 -0.004 1.819 -10.006 726 1HD2 LEU 91 1HD2 LEU 91 0.219 2.102 -12.593 727 2HD2 LEU 91 2HD2 LEU 91 -0.481 0.416 -12.598 728 3HD2 LEU 91 3HD2 LEU 91 -1.164 1.775 -13.611 729 H VAL 92 H VAL 92 -4.256 4.405 -9.455 730 HA VAL 92 HA VAL 92 -3.884 6.795 -11.106 731 HB VAL 92 HB VAL 92 -3.967 8.226 -9.093 732 1HG1 VAL 92 1HG1 VAL 92 -6.327 6.424 -9.098 733 2HG1 VAL 92 2HG1 VAL 92 -6.201 8.067 -8.562 734 3HG1 VAL 92 3HG1 VAL 92 -6.258 7.657 -10.218 735 1HG2 VAL 92 1HG2 VAL 92 -4.478 5.763 -7.245 736 2HG2 VAL 92 2HG2 VAL 92 -3.026 6.736 -7.285 737 3HG2 VAL 92 3HG2 VAL 92 -4.581 7.268 -6.730 738 H ASP 93 H ASP 93 -1.538 5.255 -8.872 739 HA ASP 93 HA ASP 93 0.754 6.431 -10.462 740 1HB ASP 93 1HB ASP 93 -0.366 8.237 -8.897 741 2HB ASP 93 2HB ASP 93 0.462 7.459 -7.688 742 HD2 ASP 93 HD ASP 93 0.625 9.289 -10.314 743 H LYS 94 H LYS 94 2.917 5.948 -9.411 744 HA LYS 94 HA LYS 94 3.113 3.792 -7.516 745 1HB LYS 94 1HB LYS 94 4.074 2.131 -9.039 746 2HB LYS 94 2HB LYS 94 2.495 2.568 -9.500 747 1HG LYS 94 1HG LYS 94 3.591 3.949 -11.367 748 2HG LYS 94 2HG LYS 94 5.209 3.276 -10.831 749 1HD LYS 94 1HD LYS 94 4.721 1.061 -11.230 750 2HD LYS 94 2HD LYS 94 3.019 1.273 -11.321 751 1HE LYS 94 1HE LYS 94 5.215 2.115 -13.500 752 2HE LYS 94 2HE LYS 94 3.967 0.667 -13.589 753 1HZ LYS 94 1HZ LYS 94 3.366 2.504 -14.876 754 2HZ LYS 94 2HZ LYS 94 3.332 3.570 -13.610 755 H THR 95 H THR 95 5.091 3.527 -6.716 756 HA THR 95 HA THR 95 7.476 4.997 -7.400 757 HB THR 95 HB THR 95 5.891 5.841 -5.002 758 HG1 THR 95 1HG THR 95 5.224 6.739 -6.992 759 1HG2 THR 95 1HG2 THR 95 7.584 7.798 -4.766 760 2HG2 THR 95 2HG2 THR 95 8.217 6.197 -4.229 761 3HG2 THR 95 3HG2 THR 95 8.607 6.752 -5.875 762 H VAL 96 H VAL 96 9.095 4.149 -6.533 763 HA VAL 96 HA VAL 96 8.824 2.015 -4.528 764 HB VAL 96 HB VAL 96 8.705 1.004 -6.756 765 1HG1 VAL 96 1HG1 VAL 96 11.193 2.783 -7.902 766 2HG1 VAL 96 2HG1 VAL 96 10.317 1.363 -8.609 767 3HG1 VAL 96 3HG1 VAL 96 9.495 2.895 -8.009 768 1HG2 VAL 96 1HG2 VAL 96 11.524 0.438 -5.703 769 2HG2 VAL 96 2HG2 VAL 96 9.971 -0.389 -5.461 770 3HG2 VAL 96 3HG2 VAL 96 10.771 -0.334 -7.071 771 H GLY 97 H GLY 97 9.990 2.264 -2.837 772 1HA GLY 97 1HA GLY 97 12.856 3.203 -2.702 773 2HA GLY 97 2HA GLY 97 11.819 4.525 -2.334 774 H ALA 98 H ALA 98 12.332 4.817 -0.284 775 HA ALA 98 HA ALA 98 10.747 3.654 1.765 776 1HB ALA 98 1HB ALA 98 13.437 2.310 2.103 777 2HB ALA 98 2HB ALA 98 12.215 2.433 3.358 778 3HB ALA 98 3HB ALA 98 11.844 1.477 1.840 779 H ASP 99 H ASP 99 10.775 5.372 2.722 780 HA ASP 99 HA ASP 99 12.866 7.085 3.792 781 1HB ASP 99 1HB ASP 99 12.285 7.707 1.267 782 2HB ASP 99 2HB ASP 99 10.803 8.468 1.853 783 HD2 ASP 99 HD ASP 99 13.811 10.685 1.235 784 H LYS 100 H LYS 100 12.039 7.374 5.659 785 HA LYS 100 HA LYS 100 9.450 7.648 6.796 786 1HB LYS 100 1HB LYS 100 10.575 8.508 8.706 787 2HB LYS 100 2HB LYS 100 11.589 7.278 7.971 788 1HG LYS 100 1HG LYS 100 13.084 9.077 7.077 789 2HG LYS 100 2HG LYS 100 12.037 10.337 7.583 790 1HD LYS 100 1HD LYS 100 12.239 9.301 9.998 791 2HD LYS 100 2HD LYS 100 13.457 8.263 9.215 792 1HE LYS 100 1HE LYS 100 14.761 10.361 8.634 793 2HE LYS 100 2HE LYS 100 13.713 11.398 9.589 794 1HZ LYS 100 1HZ LYS 100 14.229 9.875 11.451 795 2HZ LYS 100 2HZ LYS 100 15.484 9.251 10.703 796 H ASP 101 H ASP 101 11.024 10.675 6.039 797 HA ASP 101 HA ASP 101 8.528 12.094 5.982 798 1HB ASP 101 1HB ASP 101 9.770 14.015 5.081 799 2HB ASP 101 2HB ASP 101 10.535 13.416 6.573 800 HD2 ASP 101 HD ASP 101 13.407 12.824 4.793 801 H GLY 102 H GLY 102 10.263 10.473 3.448 802 1HA GLY 102 1HA GLY 102 9.205 11.639 1.107 803 2HA GLY 102 2HA GLY 102 9.642 9.976 1.224 804 H LEU 103 H LEU 103 7.968 8.586 2.388 805 HA LEU 103 HA LEU 103 5.671 8.254 0.870 806 1HB LEU 103 1HB LEU 103 6.983 6.505 2.074 807 2HB LEU 103 2HB LEU 103 6.632 7.141 3.632 808 HG LEU 103 HG LEU 103 4.117 6.371 3.214 809 1HD1 LEU 103 1HD1 LEU 103 3.586 4.777 1.455 810 2HD1 LEU 103 2HD1 LEU 103 4.008 6.249 0.826 811 3HD1 LEU 103 3HD1 LEU 103 5.231 4.905 0.747 812 1HD2 LEU 103 1HD2 LEU 103 4.559 3.989 3.743 813 2HD2 LEU 103 2HD2 LEU 103 6.277 4.101 3.188 814 3HD2 LEU 103 3HD2 LEU 103 5.691 4.908 4.692 815 HA PRO 104 HA PRO 104 2.735 10.504 4.270 816 1HB PRO 104 1HB PRO 104 5.159 12.159 5.240 817 2HB PRO 104 2HB PRO 104 3.577 11.864 6.209 818 1HG PRO 104 1HG PRO 104 5.820 10.423 6.756 819 2HG PRO 104 2HG PRO 104 4.409 9.610 6.689 820 1HD PRO 104 1HD PRO 104 6.611 9.677 4.611 821 2HD PRO 104 2HD PRO 104 5.501 8.335 5.145 822 H THR 105 H THR 105 5.502 11.993 2.603 823 HA THR 105 HA THR 105 4.059 14.476 1.964 824 HB THR 105 HB THR 105 6.803 13.653 0.818 825 HG1 THR 105 1HG THR 105 6.928 13.974 3.013 826 1HG2 THR 105 1HG2 THR 105 5.764 15.564 -0.507 827 2HG2 THR 105 2HG2 THR 105 5.232 16.366 1.000 828 3HG2 THR 105 3HG2 THR 105 7.013 16.210 0.520 829 H LEU 106 H LEU 106 5.010 11.657 -0.038 830 HA LEU 106 HA LEU 106 3.412 12.192 -2.485 831 1HB LEU 106 1HB LEU 106 5.331 10.530 -2.376 832 2HB LEU 106 2HB LEU 106 4.538 9.632 -1.197 833 HG LEU 106 HG LEU 106 2.682 9.056 -2.829 834 1HD1 LEU 106 1HD1 LEU 106 3.025 9.285 -5.198 835 2HD1 LEU 106 2HD1 LEU 106 2.984 10.881 -4.714 836 3HD1 LEU 106 3HD1 LEU 106 4.495 10.031 -5.092 837 1HD2 LEU 106 1HD2 LEU 106 4.113 7.532 -4.227 838 2HD2 LEU 106 2HD2 LEU 106 5.528 8.480 -3.769 839 3HD2 LEU 106 3HD2 LEU 106 4.700 7.541 -2.556 840 H VAL 107 H VAL 107 2.385 10.504 0.400 841 HA VAL 107 HA VAL 107 -0.201 9.794 -0.482 842 HB VAL 107 HB VAL 107 0.902 9.893 2.316 843 1HG1 VAL 107 1HG1 VAL 107 -1.430 10.165 2.848 844 2HG1 VAL 107 2HG1 VAL 107 -1.935 8.853 1.653 845 3HG1 VAL 107 3HG1 VAL 107 -0.998 8.507 3.055 846 1HG2 VAL 107 1HG2 VAL 107 0.878 7.475 1.987 847 2HG2 VAL 107 2HG2 VAL 107 0.316 7.486 0.333 848 3HG2 VAL 107 3HG2 VAL 107 1.866 8.226 0.817 849 H ALA 108 H ALA 108 0.858 12.469 1.386 850 HA ALA 108 HA ALA 108 -1.600 13.853 1.900 851 1HB ALA 108 1HB ALA 108 -0.228 15.892 2.026 852 2HB ALA 108 2HB ALA 108 0.177 14.549 3.149 853 3HB ALA 108 3HB ALA 108 1.255 14.962 1.740 854 H LYS 109 H LYS 109 0.709 14.470 -0.623 855 HA LYS 109 HA LYS 109 -0.855 16.088 -2.397 856 1HB LYS 109 1HB LYS 109 1.139 13.923 -3.287 857 2HB LYS 109 2HB LYS 109 0.547 15.155 -4.268 858 1HG LYS 109 1HG LYS 109 1.621 16.976 -3.148 859 2HG LYS 109 2HG LYS 109 2.055 15.992 -1.806 860 1HD LYS 109 1HD LYS 109 3.535 14.560 -3.261 861 2HD LYS 109 2HD LYS 109 3.060 15.364 -4.673 862 1HE LYS 109 1HE LYS 109 4.069 17.524 -3.601 863 2HE LYS 109 2HE LYS 109 4.699 16.562 -2.334 864 1HZ LYS 109 1HZ LYS 109 5.118 15.762 -5.085 865 2HZ LYS 109 2HZ LYS 109 6.025 16.937 -4.549 866 H HIS 110 H HIS 110 -1.054 12.378 -2.234 867 HA HIS 110 HA HIS 110 -3.119 12.199 -4.310 868 1HB HIS 110 1HB HIS 110 -1.504 10.180 -2.700 869 2HB HIS 110 2HB HIS 110 -2.962 9.787 -3.452 870 HD1 HIS 110 1HD HIS 110 -3.144 9.361 -5.888 871 HD2 HIS 110 2HD HIS 110 0.496 11.313 -4.896 872 HE1 HIS 110 1HE HIS 110 -1.631 9.984 -8.005 873 H ALA 111 H ALA 111 -3.361 12.073 -0.933 874 HA ALA 111 HA ALA 111 -6.203 11.706 -0.727 875 1HB ALA 111 1HB ALA 111 -5.635 12.752 1.620 876 2HB ALA 111 2HB ALA 111 -4.735 11.263 1.090 877 3HB ALA 111 3HB ALA 111 -4.036 12.862 0.986 878 H THR 112 H THR 112 -4.175 14.616 -1.371 879 HA THR 112 HA THR 112 -6.504 16.432 -1.538 880 HB THR 112 HB THR 112 -3.620 16.951 -2.328 881 HG1 THR 112 1HG THR 112 -5.009 18.153 -0.319 882 1HG2 THR 112 1HG2 THR 112 -5.108 18.547 -3.598 883 2HG2 THR 112 2HG2 THR 112 -5.900 18.954 -2.048 884 3HG2 THR 112 3HG2 THR 112 -4.218 19.298 -2.238 885 H ALA 113 H ALA 113 -4.431 15.744 -4.141 886 HA ALA 113 HA ALA 113 -6.405 16.094 -6.289 887 1HB ALA 113 1HB ALA 113 -3.556 15.190 -6.456 888 2HB ALA 113 2HB ALA 113 -4.694 15.550 -7.839 889 3HB ALA 113 3HB ALA 113 -4.133 16.800 -6.663 890 HXT ALA 113 HO ALA 113 -5.823 12.156 -6.192 Start of MODEL 6 1 1H ALA 1 1H ALA 1 -13.617 5.212 16.953 2 2H ALA 1 2H ALA 1 -12.635 5.733 18.199 3 HA ALA 1 HA ALA 1 -11.644 7.354 16.672 4 1HB ALA 1 1HB ALA 1 -9.950 5.880 16.163 5 2HB ALA 1 2HB ALA 1 -10.767 4.975 17.445 6 3HB ALA 1 3HB ALA 1 -11.046 4.545 15.763 7 H GLU 2 H GLU 2 -10.858 7.592 14.679 8 HA GLU 2 HA GLU 2 -12.592 6.886 12.229 9 1HB GLU 2 1HB GLU 2 -13.854 8.652 13.379 10 2HB GLU 2 2HB GLU 2 -12.555 9.817 13.228 11 1HG GLU 2 1HG GLU 2 -12.816 9.547 10.633 12 2HG GLU 2 2HG GLU 2 -14.157 8.483 10.887 13 HE2 GLU 2 HE GLU 2 -14.835 12.239 11.061 14 H GLU 3 H GLU 3 -10.708 6.075 11.875 15 HA GLU 3 HA GLU 3 -8.480 7.708 10.596 16 1HB GLU 3 1HB GLU 3 -6.655 6.507 11.951 17 2HB GLU 3 2HB GLU 3 -7.780 7.317 13.048 18 1HG GLU 3 1HG GLU 3 -9.053 5.113 13.221 19 2HG GLU 3 2HG GLU 3 -7.671 4.304 12.338 20 HE2 GLU 3 HE GLU 3 -7.090 5.267 16.104 21 H GLY 4 H GLY 4 -6.768 6.681 9.690 22 1HA GLY 4 1HA GLY 4 -7.321 4.355 7.888 23 2HA GLY 4 2HA GLY 4 -5.889 5.291 7.933 24 H GLN 5 H GLN 5 -5.999 2.534 7.888 25 HA GLN 5 HA GLN 5 -4.842 1.564 10.395 26 1HB GLN 5 1HB GLN 5 -6.588 -0.177 10.845 27 2HB GLN 5 2HB GLN 5 -7.483 1.269 10.552 28 1HG GLN 5 1HG GLN 5 -7.853 0.474 8.119 29 2HG GLN 5 2HG GLN 5 -7.196 -1.086 8.599 30 1HE2 GLN 5 1HE2 GLN 5 -8.063 -2.137 10.498 31 2HE2 GLN 5 2HE2 GLN 5 -9.861 -1.771 10.983 32 H VAL 6 H VAL 6 -3.319 0.168 9.941 33 HA VAL 6 HA VAL 6 -2.671 -0.901 7.233 34 HB VAL 6 HB VAL 6 -0.918 -0.927 9.834 35 1HG1 VAL 6 1HG1 VAL 6 0.905 -1.238 8.233 36 2HG1 VAL 6 2HG1 VAL 6 -0.153 -2.675 8.275 37 3HG1 VAL 6 3HG1 VAL 6 -0.234 -1.610 6.952 38 1HG2 VAL 6 1HG2 VAL 6 -0.824 0.840 7.343 39 2HG2 VAL 6 2HG2 VAL 6 -1.430 1.489 8.932 40 3HG2 VAL 6 3HG2 VAL 6 0.208 1.013 8.884 41 H ILE 7 H ILE 7 -3.047 -2.877 6.792 42 HA ILE 7 HA ILE 7 -3.816 -5.111 8.665 43 HB ILE 7 HB ILE 7 -5.769 -3.855 7.284 44 1HG1 ILE 7 1HG1 ILE 7 -6.343 -5.416 8.955 45 2HG1 ILE 7 2HG1 ILE 7 -7.215 -5.846 7.546 46 1HG2 ILE 7 1HG2 ILE 7 -4.836 -4.402 5.037 47 2HG2 ILE 7 2HG2 ILE 7 -4.954 -6.164 5.490 48 3HG2 ILE 7 3HG2 ILE 7 -6.359 -5.099 5.126 49 1HD1 ILE 7 1HD1 ILE 7 -5.236 -7.544 6.920 50 2HD1 ILE 7 2HD1 ILE 7 -4.847 -7.450 8.657 51 3HD1 ILE 7 3HD1 ILE 7 -6.462 -7.932 8.031 52 H ALA 8 H ALA 8 -2.058 -6.378 8.606 53 HA ALA 8 HA ALA 8 -0.359 -7.203 6.659 54 1HB ALA 8 1HB ALA 8 -0.168 -9.400 7.673 55 2HB ALA 8 2HB ALA 8 -0.094 -8.140 8.915 56 3HB ALA 8 3HB ALA 8 -1.596 -9.214 8.694 57 H CYS 9 H CYS 9 -0.354 -8.398 4.894 58 HA CYS 9 HA CYS 9 -2.588 -10.130 3.935 59 1HB CYS 9 1HB CYS 9 -1.171 -7.835 2.449 60 2HB CYS 9 2HB CYS 9 -2.316 -8.867 1.737 61 HG CYS 9 HG CYS 9 -4.363 -8.398 3.322 62 H HIS 10 H HIS 10 -2.165 -11.908 2.967 63 HA HIS 10 HA HIS 10 0.498 -12.743 2.084 64 1HB HIS 10 1HB HIS 10 -1.158 -14.299 4.193 65 2HB HIS 10 2HB HIS 10 0.430 -14.891 3.419 66 HD1 HIS 10 1HD HIS 10 2.577 -13.340 4.065 67 HD2 HIS 10 2HD HIS 10 -1.028 -12.506 6.154 68 HE1 HIS 10 1HE HIS 10 3.075 -12.048 6.247 69 H THR 11 H THR 11 -2.768 -13.086 1.491 70 HA THR 11 HA THR 11 -2.639 -15.599 -0.143 71 HB THR 11 HB THR 11 -4.766 -16.344 1.053 72 HG1 THR 11 1HG THR 11 -4.654 -15.077 3.275 73 1HG2 THR 11 1HG2 THR 11 -2.442 -17.184 1.826 74 2HG2 THR 11 2HG2 THR 11 -2.438 -16.041 3.135 75 3HG2 THR 11 3HG2 THR 11 -3.790 -17.200 3.153 76 H VAL 12 H VAL 12 -4.985 -16.031 -1.138 77 HA VAL 12 HA VAL 12 -6.086 -13.738 -2.749 78 HB VAL 12 HB VAL 12 -6.507 -16.373 -3.031 79 1HG1 VAL 12 1HG1 VAL 12 -8.890 -16.213 -1.084 80 2HG1 VAL 12 2HG1 VAL 12 -8.432 -17.515 -2.148 81 3HG1 VAL 12 3HG1 VAL 12 -7.402 -16.961 -0.785 82 1HG2 VAL 12 1HG2 VAL 12 -7.662 -14.561 -4.350 83 2HG2 VAL 12 2HG2 VAL 12 -8.535 -16.080 -4.142 84 3HG2 VAL 12 3HG2 VAL 12 -9.126 -14.662 -3.230 85 H ASP 13 H ASP 13 -6.407 -14.133 0.686 86 HA ASP 13 HA ASP 13 -8.924 -12.972 1.135 87 1HB ASP 13 1HB ASP 13 -6.433 -12.768 2.909 88 2HB ASP 13 2HB ASP 13 -7.981 -12.233 3.445 89 HD2 ASP 13 HD ASP 13 -8.522 -13.189 4.862 90 H THR 14 H THR 14 -5.690 -11.552 0.624 91 HA THR 14 HA THR 14 -6.342 -8.659 0.794 92 HB THR 14 HB THR 14 -4.086 -9.655 1.045 93 HG1 THR 14 1HG THR 14 -4.938 -7.495 0.988 94 1HG2 THR 14 1HG2 THR 14 -3.812 -10.671 -1.188 95 2HG2 THR 14 2HG2 THR 14 -3.877 -9.135 -2.078 96 3HG2 THR 14 3HG2 THR 14 -2.528 -9.461 -0.898 97 H TRP 15 H TRP 15 -6.584 -10.990 -1.680 98 HA TRP 15 HA TRP 15 -6.878 -9.261 -4.115 99 1HB TRP 15 1HB TRP 15 -7.528 -12.181 -3.698 100 2HB TRP 15 2HB TRP 15 -8.542 -11.389 -4.846 101 HD1 TRP 15 HD TRP 15 -4.769 -12.334 -4.304 102 HE1 TRP 15 1HE TRP 15 -3.517 -12.177 -6.686 103 HE3 TRP 15 3HE TRP 15 -8.638 -10.145 -6.990 104 HZ2 TRP 15 2HZ TRP 15 -4.326 -11.316 -9.267 105 HZ3 TRP 15 3HZ TRP 15 -8.227 -9.519 -9.266 106 HH2 TRP 15 HH TRP 15 -6.059 -10.085 -10.496 107 H LYS 16 H LYS 16 -9.157 -10.733 -1.919 108 HA LYS 16 HA LYS 16 -11.512 -9.406 -3.021 109 1HB LYS 16 1HB LYS 16 -11.089 -10.627 -0.141 110 2HB LYS 16 2HB LYS 16 -12.686 -10.092 -0.685 111 1HG LYS 16 1HG LYS 16 -12.785 -11.539 -2.552 112 2HG LYS 16 2HG LYS 16 -11.283 -12.300 -2.180 113 1HD LYS 16 1HD LYS 16 -13.743 -12.175 -0.253 114 2HD LYS 16 2HD LYS 16 -13.336 -13.491 -1.451 115 1HE LYS 16 1HE LYS 16 -11.179 -13.939 -0.294 116 2HE LYS 16 2HE LYS 16 -11.523 -12.681 0.988 117 1HZ LYS 16 1HZ LYS 16 -13.532 -13.945 1.337 118 2HZ LYS 16 2HZ LYS 16 -13.068 -15.061 0.284 119 H GLU 17 H GLU 17 -9.286 -8.653 -0.470 120 HA GLU 17 HA GLU 17 -10.698 -6.210 0.622 121 1HB GLU 17 1HB GLU 17 -7.954 -7.452 1.194 122 2HB GLU 17 2HB GLU 17 -8.266 -5.886 1.753 123 1HG GLU 17 1HG GLU 17 -10.356 -6.797 2.934 124 2HG GLU 17 2HG GLU 17 -10.138 -8.302 2.211 125 HE2 GLU 17 HE GLU 17 -7.687 -9.325 4.509 126 H HIS 18 H HIS 18 -7.676 -6.342 -1.330 127 HA HIS 18 HA HIS 18 -7.266 -3.525 -1.787 128 1HB HIS 18 1HB HIS 18 -5.628 -5.359 -2.114 129 2HB HIS 18 2HB HIS 18 -6.518 -6.104 -3.425 130 HD1 HIS 18 1HD HIS 18 -6.235 -5.154 -5.848 131 HD2 HIS 18 2HD HIS 18 -4.321 -3.017 -2.708 132 HE1 HIS 18 1HE HIS 18 -4.239 -3.780 -6.818 133 H PHE 19 H PHE 19 -8.726 -5.740 -3.882 134 HA PHE 19 HA PHE 19 -9.269 -3.989 -6.012 135 1HB PHE 19 1HB PHE 19 -9.013 -6.573 -6.163 136 2HB PHE 19 2HB PHE 19 -10.787 -6.552 -5.942 137 HD1 PHE 19 1HD PHE 19 -11.864 -6.628 -7.878 138 HD2 PHE 19 2HD PHE 19 -7.942 -4.894 -8.000 139 HE1 PHE 19 1HE PHE 19 -11.857 -6.550 -10.568 140 HE2 PHE 19 2HE PHE 19 -8.003 -4.835 -10.414 141 HZ PHE 19 HZ PHE 19 -10.100 -5.498 -11.693 142 H GLU 20 H GLU 20 -11.764 -5.664 -4.181 143 HA GLU 20 HA GLU 20 -14.115 -4.121 -4.841 144 1HB GLU 20 1HB GLU 20 -13.657 -5.449 -2.139 145 2HB GLU 20 2HB GLU 20 -15.235 -4.961 -2.755 146 1HG GLU 20 1HG GLU 20 -13.351 -7.194 -3.693 147 2HG GLU 20 2HG GLU 20 -14.982 -7.343 -2.918 148 HE2 GLU 20 HE GLU 20 -16.627 -7.244 -5.820 149 H LYS 21 H LYS 21 -11.701 -3.291 -2.168 150 HA LYS 21 HA LYS 21 -13.240 -0.927 -1.180 151 1HB LYS 21 1HB LYS 21 -10.336 -1.736 -0.672 152 2HB LYS 21 2HB LYS 21 -11.197 -0.323 -0.091 153 1HG LYS 21 1HG LYS 21 -11.738 -3.189 0.394 154 2HG LYS 21 2HG LYS 21 -11.005 -2.132 1.617 155 1HD LYS 21 1HD LYS 21 -13.394 -0.729 1.557 156 2HD LYS 21 2HD LYS 21 -13.932 -2.217 0.706 157 1HE LYS 21 1HE LYS 21 -14.538 -2.380 3.158 158 2HE LYS 21 2HE LYS 21 -13.328 -3.595 2.744 159 1HZ LYS 21 1HZ LYS 21 -12.868 -0.870 3.810 160 2HZ LYS 21 2HZ LYS 21 -12.948 -2.141 4.784 161 H GLY 22 H GLY 22 -10.300 -1.248 -3.111 162 1HA GLY 22 1HA GLY 22 -9.903 1.562 -3.704 163 2HA GLY 22 2HA GLY 22 -9.258 0.043 -4.508 164 H LYS 23 H LYS 23 -10.933 -0.815 -5.962 165 HA LYS 23 HA LYS 23 -12.501 1.028 -7.728 166 1HB LYS 23 1HB LYS 23 -10.983 -0.511 -8.779 167 2HB LYS 23 2HB LYS 23 -12.007 -1.906 -8.195 168 1HG LYS 23 1HG LYS 23 -13.925 -0.471 -9.256 169 2HG LYS 23 2HG LYS 23 -12.824 0.355 -10.223 170 1HD LYS 23 1HD LYS 23 -13.406 -2.820 -10.012 171 2HD LYS 23 2HD LYS 23 -14.158 -1.813 -11.100 172 1HE LYS 23 1HE LYS 23 -10.960 -2.286 -10.846 173 2HE LYS 23 2HE LYS 23 -11.978 -3.375 -11.819 174 1HZ LYS 23 1HZ LYS 23 -12.280 -1.849 -13.415 175 2HZ LYS 23 2HZ LYS 23 -12.245 -0.463 -12.422 176 H GLY 24 H GLY 24 -14.173 1.261 -6.407 177 1HA GLY 24 1HA GLY 24 -16.460 -0.080 -6.499 178 2HA GLY 24 2HA GLY 24 -15.822 -0.908 -5.088 179 H SER 25 H SER 25 -14.643 1.197 -4.012 180 HA SER 25 HA SER 25 -16.816 2.647 -2.498 181 1HB SER 25 1HB SER 25 -14.223 1.434 -1.111 182 2HB SER 25 2HB SER 25 -15.420 2.458 -0.308 183 HG SER 25 HG SER 25 -15.608 0.014 -0.312 184 H GLN 26 H GLN 26 -16.691 4.695 -2.688 185 HA GLN 26 HA GLN 26 -14.613 6.254 -3.426 186 1HB GLN 26 1HB GLN 26 -17.021 7.064 -1.722 187 2HB GLN 26 2HB GLN 26 -15.806 8.212 -2.432 188 1HG GLN 26 1HG GLN 26 -17.668 8.221 -3.867 189 2HG GLN 26 2HG GLN 26 -16.303 7.674 -4.668 190 1HE2 GLN 26 1HE2 GLN 26 -16.259 5.388 -5.496 191 2HE2 GLN 26 2HE2 GLN 26 -17.817 4.452 -5.444 192 H LYS 27 H LYS 27 -12.792 5.252 -2.502 193 HA LYS 27 HA LYS 27 -11.488 6.923 -0.444 194 1HB LYS 27 1HB LYS 27 -10.783 5.142 0.949 195 2HB LYS 27 2HB LYS 27 -12.630 5.272 0.778 196 1HG LYS 27 1HG LYS 27 -12.401 3.246 -0.731 197 2HG LYS 27 2HG LYS 27 -10.634 3.224 -0.366 198 1HD LYS 27 1HD LYS 27 -11.715 1.559 0.974 199 2HD LYS 27 2HD LYS 27 -11.056 2.837 1.929 200 1HE LYS 27 1HE LYS 27 -13.112 3.766 2.660 201 2HE LYS 27 2HE LYS 27 -14.041 2.755 1.415 202 1HZ LYS 27 1HZ LYS 27 -14.111 1.909 3.625 203 2HZ LYS 27 2HZ LYS 27 -13.514 0.828 2.522 204 H LEU 28 H LEU 28 -9.428 6.808 -0.421 205 HA LEU 28 HA LEU 28 -7.940 5.673 -2.765 206 1HB LEU 28 1HB LEU 28 -7.351 8.103 -1.963 207 2HB LEU 28 2HB LEU 28 -6.860 7.324 -0.404 208 HG LEU 28 HG LEU 28 -5.068 6.046 -1.739 209 1HD1 LEU 28 1HD1 LEU 28 -4.322 6.967 -3.952 210 2HD1 LEU 28 2HD1 LEU 28 -5.786 5.953 -3.869 211 3HD1 LEU 28 3HD1 LEU 28 -5.959 7.793 -4.136 212 1HD2 LEU 28 1HD2 LEU 28 -4.749 9.136 -1.765 213 2HD2 LEU 28 2HD2 LEU 28 -4.759 8.094 -0.249 214 3HD2 LEU 28 3HD2 LEU 28 -3.554 7.907 -1.682 215 H ILE 29 H ILE 29 -6.284 4.186 -2.351 216 HA ILE 29 HA ILE 29 -5.999 2.700 0.235 217 HB ILE 29 HB ILE 29 -6.532 0.677 -0.320 218 1HG1 ILE 29 1HG1 ILE 29 -7.721 0.954 -3.177 219 2HG1 ILE 29 2HG1 ILE 29 -6.054 1.137 -3.130 220 1HG2 ILE 29 1HG2 ILE 29 -8.947 0.482 -0.917 221 2HG2 ILE 29 2HG2 ILE 29 -8.696 1.831 0.164 222 3HG2 ILE 29 3HG2 ILE 29 -8.815 2.206 -1.485 223 1HD1 ILE 29 1HD1 ILE 29 -5.686 -1.147 -1.917 224 2HD1 ILE 29 2HD1 ILE 29 -7.466 -1.349 -2.220 225 3HD1 ILE 29 3HD1 ILE 29 -6.421 -1.157 -3.586 226 H VAL 30 H VAL 30 -4.112 2.012 0.377 227 HA VAL 30 HA VAL 30 -1.889 2.421 -1.670 228 HB VAL 30 HB VAL 30 -2.026 3.634 1.040 229 1HG1 VAL 30 1HG1 VAL 30 0.457 3.095 0.600 230 2HG1 VAL 30 2HG1 VAL 30 0.416 3.801 -0.970 231 3HG1 VAL 30 3HG1 VAL 30 0.220 4.855 0.559 232 1HG2 VAL 30 1HG2 VAL 30 -1.782 5.863 -0.469 233 2HG2 VAL 30 2HG2 VAL 30 -2.449 4.904 -1.774 234 3HG2 VAL 30 3HG2 VAL 30 -3.310 5.092 -0.224 235 H VAL 31 H VAL 31 -0.046 1.011 -1.537 236 HA VAL 31 HA VAL 31 -0.371 -1.117 0.479 237 HB VAL 31 HB VAL 31 -2.100 -1.776 -0.880 238 1HG1 VAL 31 1HG1 VAL 31 -0.544 -1.234 -3.410 239 2HG1 VAL 31 2HG1 VAL 31 -2.060 -2.235 -3.375 240 3HG1 VAL 31 3HG1 VAL 31 -2.100 -0.556 -2.852 241 1HG2 VAL 31 1HG2 VAL 31 -1.526 -4.057 -1.765 242 2HG2 VAL 31 2HG2 VAL 31 0.315 -3.531 -1.868 243 3HG2 VAL 31 3HG2 VAL 31 -0.629 -3.609 -0.259 244 H ASP 32 H ASP 32 1.388 -2.026 0.713 245 HA ASP 32 HA ASP 32 3.897 -1.370 -0.559 246 1HB ASP 32 1HB ASP 32 3.542 -1.211 2.079 247 2HB ASP 32 2HB ASP 32 3.588 -2.965 2.194 248 HD2 ASP 32 HD ASP 32 7.065 -1.554 0.572 249 H PHE 33 H PHE 33 5.122 -2.820 -1.244 250 HA PHE 33 HA PHE 33 4.594 -5.746 -1.383 251 1HB PHE 33 1HB PHE 33 5.688 -3.867 -3.650 252 2HB PHE 33 2HB PHE 33 5.825 -5.591 -3.735 253 HD1 PHE 33 1HD PHE 33 3.721 -7.185 -3.794 254 HD2 PHE 33 2HD PHE 33 3.318 -2.745 -3.958 255 HE1 PHE 33 1HE PHE 33 1.140 -7.228 -4.425 256 HE2 PHE 33 2HE PHE 33 1.089 -2.920 -4.194 257 HZ PHE 33 HZ PHE 33 -0.092 -5.122 -4.632 258 H THR 34 H THR 34 6.128 -6.649 -0.333 259 HA THR 34 HA THR 34 8.788 -5.574 0.009 260 HB THR 34 HB THR 34 7.736 -3.955 1.472 261 HG1 THR 34 1HG THR 34 9.335 -5.958 2.679 262 1HG2 THR 34 1HG2 THR 34 7.139 -6.160 3.461 263 2HG2 THR 34 2HG2 THR 34 6.703 -4.548 3.596 264 3HG2 THR 34 3HG2 THR 34 5.841 -5.571 2.422 265 H ALA 35 H ALA 35 9.686 -7.146 0.513 266 HA ALA 35 HA ALA 35 8.867 -9.944 1.305 267 1HB ALA 35 1HB ALA 35 11.410 -10.246 1.367 268 2HB ALA 35 2HB ALA 35 10.840 -9.960 -0.262 269 3HB ALA 35 3HB ALA 35 11.672 -8.723 0.664 270 H SER 36 H SER 36 9.572 -10.710 3.252 271 HA SER 36 HA SER 36 9.799 -9.125 5.755 272 1HB SER 36 1HB SER 36 8.804 -11.350 5.946 273 2HB SER 36 2HB SER 36 10.262 -12.220 5.479 274 HG SER 36 HG SER 36 11.247 -10.873 7.311 275 H TRP 37 H TRP 37 12.067 -11.038 3.919 276 HA TRP 37 HA TRP 37 14.545 -9.967 5.078 277 1HB TRP 37 1HB TRP 37 15.931 -10.991 3.433 278 2HB TRP 37 2HB TRP 37 14.858 -12.028 4.145 279 HD1 TRP 37 HD TRP 37 12.802 -13.313 2.720 280 HE1 TRP 37 1HE TRP 37 12.138 -13.483 0.240 281 HE3 TRP 37 3HE TRP 37 16.399 -10.111 0.962 282 HZ2 TRP 37 2HZ TRP 37 13.471 -12.718 -2.112 283 HZ3 TRP 37 3HZ TRP 37 16.703 -9.865 -1.410 284 HH2 TRP 37 HH TRP 37 15.237 -11.170 -2.966 285 H CYS 38 H CYS 38 13.211 -7.808 4.982 286 HA CYS 38 HA CYS 38 15.021 -5.814 3.665 287 1HB CYS 38 1HB CYS 38 12.886 -6.214 2.198 288 2HB CYS 38 2HB CYS 38 12.010 -5.830 3.643 289 HG CYS 38 HG CYS 38 14.061 -4.045 1.686 290 HA PRO 39 HA PRO 39 14.811 -4.463 8.184 291 1HB PRO 39 1HB PRO 39 17.507 -3.508 7.606 292 2HB PRO 39 2HB PRO 39 16.797 -4.304 8.998 293 1HG PRO 39 1HG PRO 39 18.285 -5.708 7.162 294 2HG PRO 39 2HG PRO 39 16.879 -6.546 7.920 295 1HD PRO 39 1HD PRO 39 16.947 -5.444 5.066 296 2HD PRO 39 2HD PRO 39 16.265 -6.905 5.558 297 HA PRO 40 HA PRO 40 14.921 0.016 6.042 298 1HB PRO 40 1HB PRO 40 14.587 -1.144 3.118 299 2HB PRO 40 2HB PRO 40 15.304 0.366 3.698 300 1HG PRO 40 1HG PRO 40 16.922 -1.500 2.965 301 2HG PRO 40 2HG PRO 40 17.222 -0.651 4.530 302 1HD PRO 40 1HD PRO 40 15.858 -3.327 4.170 303 2HD PRO 40 2HD PRO 40 17.116 -3.062 5.338 304 H CYS 41 H CYS 41 12.826 -2.674 4.830 305 HA CYS 41 HA CYS 41 10.482 -1.117 5.310 306 1HB CYS 41 1HB CYS 41 10.555 -3.853 4.080 307 2HB CYS 41 2HB CYS 41 9.123 -2.986 4.449 308 HG CYS 41 HG CYS 41 11.503 -2.064 2.425 309 H LYS 42 H LYS 42 11.968 -3.584 7.022 310 HA LYS 42 HA LYS 42 10.074 -3.690 9.134 311 1HB LYS 42 1HB LYS 42 11.819 -5.295 9.267 312 2HB LYS 42 2HB LYS 42 13.061 -4.090 9.637 313 1HG LYS 42 1HG LYS 42 11.807 -3.638 11.808 314 2HG LYS 42 2HG LYS 42 10.562 -4.788 11.297 315 1HD LYS 42 1HD LYS 42 12.336 -6.610 11.188 316 2HD LYS 42 2HD LYS 42 13.446 -5.506 11.887 317 1HE LYS 42 1HE LYS 42 12.662 -6.399 13.847 318 2HE LYS 42 2HE LYS 42 11.633 -4.982 13.701 319 1HZ LYS 42 1HZ LYS 42 10.497 -7.255 14.174 320 2HZ LYS 42 2HZ LYS 42 9.832 -6.317 12.928 321 H MET 43 H MET 43 12.690 -1.180 9.161 322 HA MET 43 HA MET 43 11.161 0.648 10.831 323 1HB MET 43 1HB MET 43 12.132 2.596 10.137 324 2HB MET 43 2HB MET 43 13.269 1.339 10.550 325 1HG MET 43 1HG MET 43 13.824 1.032 8.237 326 2HG MET 43 2HG MET 43 12.479 2.216 7.719 327 1HE MET 43 1HE MET 43 15.071 5.165 7.385 328 2HE MET 43 2HE MET 43 15.584 3.691 6.510 329 3HE MET 43 3HE MET 43 13.919 4.319 6.459 330 H ILE 44 H ILE 44 10.677 0.486 7.328 331 HA ILE 44 HA ILE 44 8.751 2.503 7.126 332 HB ILE 44 HB ILE 44 10.039 1.271 5.051 333 1HG1 ILE 44 1HG1 ILE 44 8.565 2.753 3.545 334 2HG1 ILE 44 2HG1 ILE 44 7.553 3.178 5.006 335 1HG2 ILE 44 1HG2 ILE 44 7.308 0.375 4.437 336 2HG2 ILE 44 2HG2 ILE 44 8.840 0.077 3.637 337 3HG2 ILE 44 3HG2 ILE 44 8.562 -0.597 5.275 338 1HD1 ILE 44 1HD1 ILE 44 9.646 4.177 6.136 339 2HD1 ILE 44 2HD1 ILE 44 10.462 3.951 4.578 340 3HD1 ILE 44 3HD1 ILE 44 9.038 4.935 4.646 341 H ALA 45 H ALA 45 7.776 -0.829 7.618 342 HA ALA 45 HA ALA 45 5.031 -0.305 7.420 343 1HB ALA 45 1HB ALA 45 6.292 -2.588 9.252 344 2HB ALA 45 2HB ALA 45 4.572 -2.355 8.820 345 3HB ALA 45 3HB ALA 45 5.770 -2.672 7.567 346 HA PRO 46 HA PRO 46 5.197 1.288 12.229 347 1HB PRO 46 1HB PRO 46 7.983 2.142 12.241 348 2HB PRO 46 2HB PRO 46 7.005 1.572 13.576 349 1HG PRO 46 1HG PRO 46 8.880 -0.132 12.332 350 2HG PRO 46 2HG PRO 46 7.338 -0.761 12.887 351 1HD PRO 46 1HD PRO 46 8.053 -0.305 10.066 352 2HD PRO 46 2HD PRO 46 7.006 -1.427 10.732 353 H ILE 47 H ILE 47 7.047 2.820 9.675 354 HA ILE 47 HA ILE 47 6.115 5.632 9.995 355 HB ILE 47 HB ILE 47 7.536 4.272 7.759 356 1HG1 ILE 47 1HG1 ILE 47 8.779 4.442 9.787 357 2HG1 ILE 47 2HG1 ILE 47 9.517 5.372 8.425 358 1HG2 ILE 47 1HG2 ILE 47 6.054 6.194 6.870 359 2HG2 ILE 47 2HG2 ILE 47 6.921 7.300 7.978 360 3HG2 ILE 47 3HG2 ILE 47 7.842 6.544 6.677 361 1HD1 ILE 47 1HD1 ILE 47 9.648 6.672 10.564 362 2HD1 ILE 47 2HD1 ILE 47 8.323 7.494 9.592 363 3HD1 ILE 47 3HD1 ILE 47 7.955 6.302 10.852 364 H PHE 48 H PHE 48 5.299 3.446 7.436 365 HA PHE 48 HA PHE 48 2.871 4.361 6.535 366 1HB PHE 48 1HB PHE 48 4.255 2.209 5.953 367 2HB PHE 48 2HB PHE 48 3.556 1.467 7.236 368 HD1 PHE 48 1HD PHE 48 1.450 0.079 6.589 369 HD2 PHE 48 2HD PHE 48 3.044 3.192 4.095 370 HE1 PHE 48 1HE PHE 48 0.261 -0.844 4.888 371 HE2 PHE 48 2HE PHE 48 1.836 2.141 2.148 372 HZ PHE 48 HZ PHE 48 0.405 0.174 2.560 373 H ALA 49 H ALA 49 3.083 2.620 9.677 374 HA ALA 49 HA ALA 49 0.191 2.709 10.415 375 1HB ALA 49 1HB ALA 49 1.838 1.111 11.252 376 2HB ALA 49 2HB ALA 49 2.875 2.384 11.951 377 3HB ALA 49 3HB ALA 49 1.259 1.992 12.604 378 H GLU 50 H GLU 50 3.052 4.862 11.286 379 HA GLU 50 HA GLU 50 1.571 6.781 12.870 380 1HB GLU 50 1HB GLU 50 4.123 6.270 12.795 381 2HB GLU 50 2HB GLU 50 4.103 7.213 11.346 382 1HG GLU 50 1HG GLU 50 2.995 8.468 13.873 383 2HG GLU 50 2HG GLU 50 4.744 8.370 13.550 384 HE2 GLU 50 HE GLU 50 2.190 10.938 11.744 385 H LEU 51 H LEU 51 2.685 7.214 9.307 386 HA LEU 51 HA LEU 51 0.833 9.180 8.623 387 1HB LEU 51 1HB LEU 51 2.574 8.660 7.319 388 2HB LEU 51 2HB LEU 51 2.458 6.897 7.368 389 HG LEU 51 HG LEU 51 2.320 8.105 5.129 390 1HD1 LEU 51 1HD1 LEU 51 0.083 6.185 5.813 391 2HD1 LEU 51 2HD1 LEU 51 0.403 6.802 4.211 392 3HD1 LEU 51 3HD1 LEU 51 1.696 5.919 5.091 393 1HD2 LEU 51 1HD2 LEU 51 0.979 10.155 5.992 394 2HD2 LEU 51 2HD2 LEU 51 0.619 9.523 4.409 395 3HD2 LEU 51 3HD2 LEU 51 -0.506 9.114 5.782 396 H ALA 52 H ALA 52 -0.076 5.671 8.759 397 HA ALA 52 HA ALA 52 -2.706 6.090 7.660 398 1HB ALA 52 1HB ALA 52 -1.642 3.860 7.810 399 2HB ALA 52 2HB ALA 52 -1.918 3.939 9.593 400 3HB ALA 52 3HB ALA 52 -3.347 3.797 8.509 401 H LYS 53 H LYS 53 -1.623 6.551 10.781 402 HA LYS 53 HA LYS 53 -4.118 7.023 12.326 403 1HB LYS 53 1HB LYS 53 -1.379 7.853 13.171 404 2HB LYS 53 2HB LYS 53 -2.781 8.012 14.124 405 1HG LYS 53 1HG LYS 53 -3.307 5.681 14.253 406 2HG LYS 53 2HG LYS 53 -1.948 5.176 13.305 407 1HD LYS 53 1HD LYS 53 -2.007 6.449 16.223 408 2HD LYS 53 2HD LYS 53 -1.812 4.765 15.625 409 1HE LYS 53 1HE LYS 53 0.486 5.266 14.550 410 2HE LYS 53 2HE LYS 53 0.226 7.032 14.840 411 1HZ LYS 53 1HZ LYS 53 1.696 5.983 16.386 412 2HZ LYS 53 2HZ LYS 53 0.391 6.745 17.121 413 H LYS 54 H LYS 54 -1.771 9.027 10.462 414 HA LYS 54 HA LYS 54 -2.723 11.732 11.220 415 1HB LYS 54 1HB LYS 54 -0.224 10.916 10.359 416 2HB LYS 54 2HB LYS 54 -1.015 10.934 8.791 417 1HG LYS 54 1HG LYS 54 -1.534 13.173 9.040 418 2HG LYS 54 2HG LYS 54 -0.847 13.357 10.638 419 1HD LYS 54 1HD LYS 54 0.442 12.566 7.954 420 2HD LYS 54 2HD LYS 54 0.743 13.960 8.628 421 1HE LYS 54 1HE LYS 54 1.875 12.718 10.647 422 2HE LYS 54 2HE LYS 54 1.764 11.275 9.601 423 1HZ LYS 54 1HZ LYS 54 3.111 13.869 8.490 424 2HZ LYS 54 2HZ LYS 54 3.905 12.983 9.651 425 H PHE 55 H PHE 55 -3.473 9.492 8.611 426 HA PHE 55 HA PHE 55 -5.094 11.451 7.044 427 1HB PHE 55 1HB PHE 55 -2.656 9.544 6.500 428 2HB PHE 55 2HB PHE 55 -3.832 9.443 5.382 429 HD1 PHE 55 1HD PHE 55 -4.795 11.966 4.650 430 HD2 PHE 55 2HD PHE 55 -1.012 11.184 6.538 431 HE1 PHE 55 1HE PHE 55 -3.884 14.172 3.776 432 HE2 PHE 55 2HE PHE 55 -0.136 13.346 5.684 433 HZ PHE 55 HZ PHE 55 -1.596 14.822 4.304 434 HA PRO 56 HA PRO 56 -8.188 8.274 8.430 435 1HB PRO 56 1HB PRO 56 -10.470 9.896 7.883 436 2HB PRO 56 2HB PRO 56 -9.575 9.609 9.338 437 1HG PRO 56 1HG PRO 56 -9.073 11.715 7.210 438 2HG PRO 56 2HG PRO 56 -9.365 12.046 8.871 439 1HD PRO 56 1HD PRO 56 -6.834 11.975 8.120 440 2HD PRO 56 2HD PRO 56 -7.148 10.770 9.393 441 H ASN 57 H ASN 57 -7.966 9.432 5.048 442 HA ASN 57 HA ASN 57 -10.682 8.760 4.089 443 1HB ASN 57 1HB ASN 57 -10.344 9.654 2.061 444 2HB ASN 57 2HB ASN 57 -10.357 10.907 3.221 445 1HD2 ASN 57 1HD2 ASN 57 -8.133 11.876 3.954 446 2HD2 ASN 57 2HD2 ASN 57 -6.729 11.943 2.786 447 H VAL 58 H VAL 58 -8.055 7.122 4.775 448 HA VAL 58 HA VAL 58 -7.770 5.558 2.189 449 HB VAL 58 HB VAL 58 -6.553 7.371 1.825 450 1HG1 VAL 58 1HG1 VAL 58 -5.044 7.432 4.532 451 2HG1 VAL 58 2HG1 VAL 58 -4.495 8.352 3.201 452 3HG1 VAL 58 3HG1 VAL 58 -6.184 8.615 3.865 453 1HG2 VAL 58 1HG2 VAL 58 -4.373 6.682 1.352 454 2HG2 VAL 58 2HG2 VAL 58 -4.495 5.437 2.627 455 3HG2 VAL 58 3HG2 VAL 58 -5.614 5.359 1.143 456 H THR 59 H THR 59 -7.923 3.617 2.415 457 HA THR 59 HA THR 59 -7.241 2.002 4.836 458 HB THR 59 HB THR 59 -8.209 1.006 2.071 459 HG1 THR 59 1HG THR 59 -9.425 2.288 3.646 460 1HG2 THR 59 1HG2 THR 59 -8.903 -1.095 3.179 461 2HG2 THR 59 2HG2 THR 59 -7.152 -0.969 2.949 462 3HG2 THR 59 3HG2 THR 59 -7.912 -0.652 4.567 463 H PHE 60 H PHE 60 -5.478 0.519 4.927 464 HA PHE 60 HA PHE 60 -3.021 0.933 3.248 465 1HB PHE 60 1HB PHE 60 -3.053 1.401 6.249 466 2HB PHE 60 2HB PHE 60 -1.665 1.069 5.162 467 HD1 PHE 60 1HD PHE 60 -1.026 2.694 3.338 468 HD2 PHE 60 2HD PHE 60 -4.068 3.640 6.062 469 HE1 PHE 60 1HE PHE 60 -0.686 5.138 2.852 470 HE2 PHE 60 2HE PHE 60 -3.781 6.082 5.574 471 HZ PHE 60 HZ PHE 60 -2.266 6.804 3.986 472 H LEU 61 H LEU 61 -2.503 -0.876 2.699 473 HA LEU 61 HA LEU 61 -2.312 -3.182 4.497 474 1HB LEU 61 1HB LEU 61 -3.631 -4.537 3.336 475 2HB LEU 61 2HB LEU 61 -4.427 -3.057 3.087 476 HG LEU 61 HG LEU 61 -2.919 -2.988 0.754 477 1HD1 LEU 61 1HD1 LEU 61 -3.256 -5.912 1.279 478 2HD1 LEU 61 2HD1 LEU 61 -2.785 -5.204 -0.304 479 3HD1 LEU 61 3HD1 LEU 61 -1.760 -5.097 1.005 480 1HD2 LEU 61 1HD2 LEU 61 -5.459 -2.984 1.001 481 2HD2 LEU 61 2HD2 LEU 61 -4.891 -3.518 -0.555 482 3HD2 LEU 61 3HD2 LEU 61 -5.365 -4.756 0.690 483 H LYS 62 H LYS 62 -1.071 -4.887 3.850 484 HA LYS 62 HA LYS 62 1.430 -4.134 2.267 485 1HB LYS 62 1HB LYS 62 2.902 -4.586 4.190 486 2HB LYS 62 2HB LYS 62 2.036 -3.214 4.463 487 1HG LYS 62 1HG LYS 62 0.617 -4.615 6.025 488 2HG LYS 62 2HG LYS 62 1.571 -6.017 5.765 489 1HD LYS 62 1HD LYS 62 3.661 -5.066 6.596 490 2HD LYS 62 2HD LYS 62 2.715 -3.546 6.812 491 1HE LYS 62 1HE LYS 62 1.095 -4.859 8.376 492 2HE LYS 62 2HE LYS 62 2.264 -6.239 8.186 493 1HZ LYS 62 1HZ LYS 62 4.058 -4.821 9.022 494 2HZ LYS 62 2HZ LYS 62 2.730 -5.076 10.107 495 H VAL 63 H VAL 63 1.752 -5.565 0.951 496 HA VAL 63 HA VAL 63 1.072 -8.376 1.353 497 HB VAL 63 HB VAL 63 1.820 -6.774 -1.206 498 1HG1 VAL 63 1HG1 VAL 63 1.603 -8.951 -2.543 499 2HG1 VAL 63 2HG1 VAL 63 2.831 -9.263 -1.193 500 3HG1 VAL 63 3HG1 VAL 63 1.156 -9.788 -1.158 501 1HG2 VAL 63 1HG2 VAL 63 -0.521 -6.541 -0.390 502 2HG2 VAL 63 2HG2 VAL 63 -0.480 -7.425 -1.871 503 3HG2 VAL 63 3HG2 VAL 63 -0.856 -8.238 -0.389 504 H ASP 64 H ASP 64 2.445 -9.744 2.343 505 HA ASP 64 HA ASP 64 5.426 -9.709 2.296 506 1HB ASP 64 1HB ASP 64 4.094 -10.648 4.115 507 2HB ASP 64 2HB ASP 64 3.149 -11.713 3.151 508 HD2 ASP 64 HD ASP 64 5.513 -14.288 2.840 509 H VAL 65 H VAL 65 6.023 -9.781 0.244 510 HA VAL 65 HA VAL 65 4.711 -11.024 -1.964 511 HB VAL 65 HB VAL 65 6.515 -8.877 -1.770 512 1HG1 VAL 65 1HG1 VAL 65 8.710 -9.287 -2.694 513 2HG1 VAL 65 2HG1 VAL 65 8.555 -10.174 -1.160 514 3HG1 VAL 65 3HG1 VAL 65 8.632 -11.187 -2.591 515 1HG2 VAL 65 1HG2 VAL 65 6.100 -10.249 -4.396 516 2HG2 VAL 65 2HG2 VAL 65 5.256 -8.960 -3.656 517 3HG2 VAL 65 3HG2 VAL 65 7.021 -8.852 -4.103 518 H ASP 66 H ASP 66 6.858 -12.578 0.015 519 HA ASP 66 HA ASP 66 7.682 -14.689 -1.834 520 1HB ASP 66 1HB ASP 66 7.035 -15.011 1.148 521 2HB ASP 66 2HB ASP 66 8.264 -15.996 0.256 522 HD2 ASP 66 HD ASP 66 9.227 -12.478 1.797 523 H GLU 67 H GLU 67 4.664 -14.517 0.072 524 HA GLU 67 HA GLU 67 3.514 -16.833 -1.288 525 1HB GLU 67 1HB GLU 67 2.308 -14.623 0.584 526 2HB GLU 67 2HB GLU 67 1.237 -15.527 -0.536 527 1HG GLU 67 1HG GLU 67 3.138 -17.093 1.478 528 2HG GLU 67 2HG GLU 67 1.612 -16.329 1.900 529 HE2 GLU 67 HE GLU 67 0.699 -19.652 1.307 530 H LEU 68 H LEU 68 3.475 -13.469 -2.197 531 HA LEU 68 HA LEU 68 1.508 -13.846 -4.542 532 1HB LEU 68 1HB LEU 68 1.606 -11.843 -2.291 533 2HB LEU 68 2HB LEU 68 0.492 -11.805 -3.759 534 HG LEU 68 HG LEU 68 0.211 -13.843 -1.567 535 1HD1 LEU 68 1HD1 LEU 68 -1.854 -12.505 -1.117 536 2HD1 LEU 68 2HD1 LEU 68 -0.378 -11.564 -0.729 537 3HD1 LEU 68 3HD1 LEU 68 -1.278 -11.235 -2.305 538 1HD2 LEU 68 1HD2 LEU 68 -0.891 -14.613 -3.975 539 2HD2 LEU 68 2HD2 LEU 68 -2.124 -14.202 -2.961 540 3HD2 LEU 68 3HD2 LEU 68 -1.580 -12.985 -4.094 541 H LYS 69 H LYS 69 3.643 -13.961 -5.433 542 HA LYS 69 HA LYS 69 5.058 -11.456 -6.186 543 1HB LYS 69 1HB LYS 69 6.881 -12.915 -7.024 544 2HB LYS 69 2HB LYS 69 6.582 -13.050 -5.414 545 1HG LYS 69 1HG LYS 69 5.298 -15.364 -5.979 546 2HG LYS 69 2HG LYS 69 5.634 -15.195 -7.644 547 1HD LYS 69 1HD LYS 69 8.295 -14.798 -7.190 548 2HD LYS 69 2HD LYS 69 7.870 -15.344 -5.561 549 1HE LYS 69 1HE LYS 69 6.911 -17.476 -6.488 550 2HE LYS 69 2HE LYS 69 7.433 -16.911 -8.084 551 1HZ LYS 69 1HZ LYS 69 9.355 -17.285 -5.705 552 2HZ LYS 69 2HZ LYS 69 9.348 -18.206 -6.900 553 H ALA 70 H ALA 70 3.139 -13.946 -7.670 554 HA ALA 70 HA ALA 70 3.374 -13.252 -10.501 555 1HB ALA 70 1HB ALA 70 1.680 -14.595 -11.023 556 2HB ALA 70 2HB ALA 70 2.580 -15.533 -9.709 557 3HB ALA 70 3HB ALA 70 0.970 -14.725 -9.415 558 H VAL 71 H VAL 71 0.942 -12.653 -8.214 559 HA VAL 71 HA VAL 71 -0.417 -10.428 -9.668 560 HB VAL 71 HB VAL 71 -1.593 -11.757 -7.791 561 1HG1 VAL 71 1HG1 VAL 71 -1.256 -11.295 -5.606 562 2HG1 VAL 71 2HG1 VAL 71 0.361 -11.543 -6.169 563 3HG1 VAL 71 3HG1 VAL 71 -0.161 -9.916 -5.772 564 1HG2 VAL 71 1HG2 VAL 71 -2.846 -9.793 -6.941 565 2HG2 VAL 71 2HG2 VAL 71 -1.396 -8.724 -7.072 566 3HG2 VAL 71 3HG2 VAL 71 -2.309 -9.298 -8.623 567 H ALA 72 H ALA 72 2.033 -10.011 -7.047 568 HA ALA 72 HA ALA 72 2.147 -7.269 -6.967 569 1HB ALA 72 1HB ALA 72 4.616 -7.500 -6.299 570 2HB ALA 72 2HB ALA 72 3.563 -8.628 -5.531 571 3HB ALA 72 3HB ALA 72 4.521 -9.201 -6.704 572 H GLU 73 H GLU 73 3.845 -9.452 -9.027 573 HA GLU 73 HA GLU 73 5.150 -7.541 -10.944 574 1HB GLU 73 1HB GLU 73 4.326 -10.271 -11.206 575 2HB GLU 73 2HB GLU 73 5.052 -9.323 -12.544 576 1HG GLU 73 1HG GLU 73 7.136 -9.164 -11.186 577 2HG GLU 73 2HG GLU 73 6.323 -9.921 -9.806 578 HE2 GLU 73 HE GLU 73 7.766 -12.117 -12.703 579 H GLU 74 H GLU 74 1.877 -8.946 -11.060 580 HA GLU 74 HA GLU 74 1.166 -7.833 -13.711 581 1HB GLU 74 1HB GLU 74 -0.915 -8.482 -13.755 582 2HB GLU 74 2HB GLU 74 -0.156 -9.793 -12.897 583 1HG GLU 74 1HG GLU 74 -1.474 -9.055 -10.858 584 2HG GLU 74 2HG GLU 74 -2.015 -7.603 -11.754 585 HE2 GLU 74 HE GLU 74 -3.246 -8.217 -13.573 586 H TRP 75 H TRP 75 0.502 -6.356 -10.541 587 HA TRP 75 HA TRP 75 -0.955 -4.020 -11.558 588 1HB TRP 75 1HB TRP 75 0.642 -3.945 -8.938 589 2HB TRP 75 2HB TRP 75 -0.648 -2.926 -9.458 590 HD1 TRP 75 HD TRP 75 0.042 -5.600 -7.087 591 HE1 TRP 75 1HE TRP 75 -2.181 -7.137 -6.338 592 HE3 TRP 75 3HE TRP 75 -3.146 -4.505 -10.954 593 HZ2 TRP 75 2HZ TRP 75 -4.494 -7.760 -7.456 594 HZ3 TRP 75 3HZ TRP 75 -5.359 -5.472 -11.019 595 HH2 TRP 75 HH TRP 75 -6.137 -6.961 -9.132 596 H ASN 76 H ASN 76 2.570 -4.540 -10.474 597 HA ASN 76 HA ASN 76 3.916 -4.286 -12.768 598 1HB ASN 76 1HB ASN 76 2.850 -2.125 -13.549 599 2HB ASN 76 2HB ASN 76 3.542 -1.154 -12.316 600 1HD2 ASN 76 1HD2 ASN 76 5.700 -0.686 -12.584 601 2HD2 ASN 76 2HD2 ASN 76 6.644 -1.142 -14.129 602 H VAL 77 H VAL 77 4.968 -5.485 -10.771 603 HA VAL 77 HA VAL 77 6.961 -3.822 -9.258 604 HB VAL 77 HB VAL 77 5.225 -6.096 -8.094 605 1HG1 VAL 77 1HG1 VAL 77 7.135 -4.315 -6.489 606 2HG1 VAL 77 2HG1 VAL 77 6.280 -5.655 -5.784 607 3HG1 VAL 77 3HG1 VAL 77 7.533 -5.843 -6.979 608 1HG2 VAL 77 1HG2 VAL 77 3.783 -4.247 -8.185 609 2HG2 VAL 77 2HG2 VAL 77 4.160 -4.463 -6.545 610 3HG2 VAL 77 3HG2 VAL 77 4.920 -3.092 -7.432 611 H GLU 78 H GLU 78 8.650 -4.536 -10.572 612 HA GLU 78 HA GLU 78 9.720 -7.374 -10.531 613 1HB GLU 78 1HB GLU 78 11.631 -6.028 -11.533 614 2HB GLU 78 2HB GLU 78 10.339 -6.438 -12.460 615 1HG GLU 78 1HG GLU 78 10.800 -4.078 -13.129 616 2HG GLU 78 2HG GLU 78 9.340 -4.167 -12.512 617 HE2 GLU 78 HE GLU 78 12.375 -3.055 -12.095 618 H ALA 79 H ALA 79 9.499 -4.913 -8.132 619 HA ALA 79 HA ALA 79 12.382 -5.382 -7.163 620 1HB ALA 79 1HB ALA 79 12.759 -2.888 -7.153 621 2HB ALA 79 2HB ALA 79 12.201 -3.468 -8.894 622 3HB ALA 79 3HB ALA 79 11.112 -2.541 -7.712 623 H MET 80 H MET 80 12.739 -5.173 -5.200 624 HA MET 80 HA MET 80 10.857 -4.517 -3.031 625 1HB MET 80 1HB MET 80 13.414 -5.865 -3.168 626 2HB MET 80 2HB MET 80 13.241 -4.765 -1.630 627 1HG MET 80 1HG MET 80 12.336 -7.106 -1.147 628 2HG MET 80 2HG MET 80 11.037 -5.869 -1.171 629 1HE MET 80 1HE MET 80 8.975 -6.326 -2.071 630 2HE MET 80 2HE MET 80 9.438 -5.776 -3.641 631 3HE MET 80 3HE MET 80 8.547 -7.142 -3.512 632 HA PRO 81 HA PRO 81 9.821 -2.869 -3.152 633 1HB PRO 81 1HB PRO 81 9.200 -2.124 -0.614 634 2HB PRO 81 2HB PRO 81 10.387 -3.438 -1.165 635 1HG PRO 81 2HG PRO 81 10.952 -0.648 -0.108 636 2HG PRO 81 1HG PRO 81 12.183 -2.087 -0.004 637 1HD PRO 81 1HD PRO 81 11.814 0.090 -2.093 638 2HD PRO 81 2HD PRO 81 13.281 -0.895 -1.804 639 H THR 82 H THR 82 8.084 -2.244 -3.017 640 HA THR 82 HA THR 82 7.563 0.274 -4.505 641 HB THR 82 HB THR 82 6.394 -2.304 -5.576 642 HG1 THR 82 1HG THR 82 8.356 -2.796 -6.159 643 1HG2 THR 82 1HG2 THR 82 5.184 -0.678 -6.593 644 2HG2 THR 82 2HG2 THR 82 6.632 0.294 -6.897 645 3HG2 THR 82 3HG2 THR 82 6.381 -1.298 -7.597 646 H PHE 83 H PHE 83 5.746 1.097 -4.687 647 HA PHE 83 HA PHE 83 3.541 0.457 -2.751 648 1HB PHE 83 1HB PHE 83 5.022 3.210 -2.775 649 2HB PHE 83 2HB PHE 83 3.478 2.818 -1.872 650 HD1 PHE 83 1HD PHE 83 6.910 2.170 -1.982 651 HD2 PHE 83 2HD PHE 83 3.520 1.420 0.290 652 HE1 PHE 83 1HE PHE 83 8.326 1.613 0.144 653 HE2 PHE 83 2HE PHE 83 4.729 1.145 2.353 654 HZ PHE 83 HZ PHE 83 7.205 1.429 2.287 655 H ILE 84 H ILE 84 1.854 0.445 -3.771 656 HA ILE 84 HA ILE 84 1.347 1.947 -6.339 657 HB ILE 84 HB ILE 84 1.209 -0.759 -5.265 658 1HG1 ILE 84 1HG1 ILE 84 1.739 0.210 -8.199 659 2HG1 ILE 84 2HG1 ILE 84 3.040 0.229 -7.114 660 1HG2 ILE 84 1HG2 ILE 84 -0.727 0.496 -7.079 661 2HG2 ILE 84 2HG2 ILE 84 -0.456 -1.248 -7.502 662 3HG2 ILE 84 3HG2 ILE 84 -1.089 -0.781 -5.901 663 1HD1 ILE 84 1HD1 ILE 84 2.669 -2.392 -6.699 664 2HD1 ILE 84 2HD1 ILE 84 1.425 -2.291 -7.804 665 3HD1 ILE 84 3HD1 ILE 84 3.033 -1.828 -8.337 666 H PHE 85 H PHE 85 -0.554 2.797 -6.644 667 HA PHE 85 HA PHE 85 -2.188 3.733 -4.280 668 1HB PHE 85 1HB PHE 85 -0.967 5.181 -6.575 669 2HB PHE 85 2HB PHE 85 -2.182 5.930 -5.611 670 HD1 PHE 85 1HD PHE 85 1.324 4.583 -5.603 671 HD2 PHE 85 2HD PHE 85 -1.579 6.591 -3.224 672 HE1 PHE 85 1HE PHE 85 3.153 5.280 -3.868 673 HE2 PHE 85 2HE PHE 85 0.030 7.246 -1.658 674 HZ PHE 85 HZ PHE 85 2.331 6.466 -1.786 675 H LEU 86 H LEU 86 -3.999 2.771 -4.653 676 HA LEU 86 HA LEU 86 -5.314 2.703 -7.440 677 1HB LEU 86 1HB LEU 86 -4.385 0.449 -5.841 678 2HB LEU 86 2HB LEU 86 -5.918 0.690 -5.362 679 HG LEU 86 HG LEU 86 -5.996 -1.012 -6.723 680 1HD1 LEU 86 1HD1 LEU 86 -7.912 -0.019 -8.367 681 2HD1 LEU 86 2HD1 LEU 86 -8.054 0.391 -6.692 682 3HD1 LEU 86 3HD1 LEU 86 -7.319 1.591 -7.797 683 1HD2 LEU 86 1HD2 LEU 86 -5.388 -0.844 -9.170 684 2HD2 LEU 86 2HD2 LEU 86 -4.810 0.788 -8.795 685 3HD2 LEU 86 3HD2 LEU 86 -4.075 -0.785 -8.030 686 H LYS 87 H LYS 87 -6.745 4.034 -7.185 687 HA LYS 87 HA LYS 87 -8.624 4.755 -4.974 688 1HB LYS 87 1HB LYS 87 -6.969 6.359 -6.345 689 2HB LYS 87 2HB LYS 87 -8.326 6.400 -7.497 690 1HG LYS 87 1HG LYS 87 -9.823 6.969 -5.453 691 2HG LYS 87 2HG LYS 87 -8.495 7.043 -4.566 692 1HD LYS 87 1HD LYS 87 -7.230 8.770 -5.922 693 2HD LYS 87 2HD LYS 87 -8.545 8.683 -7.108 694 1HE LYS 87 1HE LYS 87 -10.232 9.797 -5.641 695 2HE LYS 87 2HE LYS 87 -9.088 9.755 -4.256 696 1HZ LYS 87 1HZ LYS 87 -7.559 11.172 -5.705 697 2HZ LYS 87 2HZ LYS 87 -8.749 11.051 -6.861 698 H ASP 88 H ASP 88 -10.958 4.890 -5.236 699 HA ASP 88 HA ASP 88 -12.203 3.813 -7.409 700 1HB ASP 88 1HB ASP 88 -14.194 5.097 -7.024 701 2HB ASP 88 2HB ASP 88 -13.406 4.669 -5.470 702 HD2 ASP 88 HD ASP 88 -12.725 7.742 -4.157 703 H GLY 89 H GLY 89 -10.291 4.470 -8.726 704 1HA GLY 89 1HA GLY 89 -11.366 5.690 -11.204 705 2HA GLY 89 2HA GLY 89 -10.079 6.743 -10.605 706 H LYS 90 H LYS 90 -9.867 3.362 -10.186 707 HA LYS 90 HA LYS 90 -8.275 1.633 -10.677 708 1HB LYS 90 1HB LYS 90 -8.243 3.042 -13.411 709 2HB LYS 90 2HB LYS 90 -7.257 1.726 -13.151 710 1HG LYS 90 1HG LYS 90 -8.935 0.077 -12.637 711 2HG LYS 90 2HG LYS 90 -10.321 1.351 -12.719 712 1HD LYS 90 1HD LYS 90 -8.518 0.445 -15.082 713 2HD LYS 90 2HD LYS 90 -10.087 -0.185 -14.703 714 1HE LYS 90 1HE LYS 90 -11.081 2.063 -14.942 715 2HE LYS 90 2HE LYS 90 -9.668 2.851 -15.408 716 1HZ LYS 90 1HZ LYS 90 -10.772 2.087 -17.486 717 2HZ LYS 90 2HZ LYS 90 -10.913 0.522 -16.960 718 H LEU 91 H LEU 91 -5.885 2.122 -11.981 719 HA LEU 91 HA LEU 91 -4.209 2.707 -9.566 720 1HB LEU 91 1HB LEU 91 -3.510 1.014 -11.415 721 2HB LEU 91 2HB LEU 91 -3.275 2.317 -12.526 722 HG LEU 91 HG LEU 91 -1.652 3.261 -10.971 723 1HD1 LEU 91 1HD1 LEU 91 -1.832 2.186 -8.963 724 2HD1 LEU 91 2HD1 LEU 91 -1.836 0.518 -9.679 725 3HD1 LEU 91 3HD1 LEU 91 -0.177 1.518 -9.546 726 1HD2 LEU 91 1HD2 LEU 91 0.380 1.902 -11.670 727 2HD2 LEU 91 2HD2 LEU 91 -0.825 0.479 -12.048 728 3HD2 LEU 91 3HD2 LEU 91 -0.811 1.926 -13.068 729 H VAL 92 H VAL 92 -4.686 4.804 -9.201 730 HA VAL 92 HA VAL 92 -3.808 7.058 -10.778 731 HB VAL 92 HB VAL 92 -3.974 8.513 -8.736 732 1HG1 VAL 92 1HG1 VAL 92 -6.247 6.498 -9.190 733 2HG1 VAL 92 2HG1 VAL 92 -6.516 8.159 -8.418 734 3HG1 VAL 92 3HG1 VAL 92 -6.127 8.109 -10.116 735 1HG2 VAL 92 1HG2 VAL 92 -4.565 6.109 -6.927 736 2HG2 VAL 92 2HG2 VAL 92 -3.185 7.261 -6.983 737 3HG2 VAL 92 3HG2 VAL 92 -4.854 7.867 -6.672 738 H ASP 93 H ASP 93 -1.601 5.139 -8.730 739 HA ASP 93 HA ASP 93 0.639 6.463 -10.002 740 1HB ASP 93 1HB ASP 93 -0.160 8.044 -8.057 741 2HB ASP 93 2HB ASP 93 0.427 6.910 -6.904 742 HD2 ASP 93 HD ASP 93 0.941 9.066 -9.431 743 H LYS 94 H LYS 94 2.700 5.719 -9.036 744 HA LYS 94 HA LYS 94 2.980 3.224 -7.416 745 1HB LYS 94 1HB LYS 94 3.792 1.809 -9.035 746 2HB LYS 94 2HB LYS 94 2.108 2.194 -9.601 747 1HG LYS 94 1HG LYS 94 3.401 3.745 -11.228 748 2HG LYS 94 2HG LYS 94 4.871 2.943 -10.651 749 1HD LYS 94 1HD LYS 94 4.178 0.810 -11.286 750 2HD LYS 94 2HD LYS 94 2.541 1.305 -11.942 751 1HE LYS 94 1HE LYS 94 5.240 2.193 -13.140 752 2HE LYS 94 2HE LYS 94 4.360 1.080 -13.847 753 1HZ LYS 94 1HZ LYS 94 2.596 2.925 -14.172 754 2HZ LYS 94 2HZ LYS 94 4.101 3.490 -14.683 755 H THR 95 H THR 95 5.098 3.240 -6.729 756 HA THR 95 HA THR 95 7.269 5.053 -7.523 757 HB THR 95 HB THR 95 5.845 5.500 -4.936 758 HG1 THR 95 1HG THR 95 4.844 6.626 -6.592 759 1HG2 THR 95 1HG2 THR 95 8.198 5.827 -4.458 760 2HG2 THR 95 2HG2 THR 95 8.574 6.415 -6.096 761 3HG2 THR 95 3HG2 THR 95 7.774 7.444 -4.873 762 H VAL 96 H VAL 96 9.198 4.237 -6.369 763 HA VAL 96 HA VAL 96 8.961 1.649 -4.804 764 HB VAL 96 HB VAL 96 8.940 0.601 -6.698 765 1HG1 VAL 96 1HG1 VAL 96 11.124 1.964 -8.256 766 2HG1 VAL 96 2HG1 VAL 96 9.721 1.086 -8.875 767 3HG1 VAL 96 3HG1 VAL 96 9.493 2.725 -8.403 768 1HG2 VAL 96 1HG2 VAL 96 11.704 0.739 -5.919 769 2HG2 VAL 96 2HG2 VAL 96 10.537 -0.440 -5.394 770 3HG2 VAL 96 3HG2 VAL 96 11.019 -0.564 -7.096 771 H GLY 97 H GLY 97 10.041 2.115 -3.123 772 1HA GLY 97 1HA GLY 97 12.724 2.582 -2.816 773 2HA GLY 97 2HA GLY 97 12.135 4.275 -2.593 774 H ALA 98 H ALA 98 12.677 4.467 -0.613 775 HA ALA 98 HA ALA 98 10.906 3.525 1.555 776 1HB ALA 98 1HB ALA 98 13.796 2.175 1.911 777 2HB ALA 98 2HB ALA 98 12.444 2.161 2.962 778 3HB ALA 98 3HB ALA 98 12.282 1.240 1.400 779 H ASP 99 H ASP 99 10.914 5.394 2.510 780 HA ASP 99 HA ASP 99 13.228 6.706 3.751 781 1HB ASP 99 1HB ASP 99 13.161 7.589 1.382 782 2HB ASP 99 2HB ASP 99 11.560 8.113 1.668 783 HD2 ASP 99 HD ASP 99 14.647 10.006 3.516 784 H LYS 100 H LYS 100 12.640 7.363 5.621 785 HA LYS 100 HA LYS 100 9.915 7.196 6.665 786 1HB LYS 100 1HB LYS 100 10.823 8.056 8.878 787 2HB LYS 100 2HB LYS 100 12.010 7.098 8.147 788 1HG LYS 100 1HG LYS 100 12.965 9.774 7.412 789 2HG LYS 100 2HG LYS 100 11.646 10.004 8.636 790 1HD LYS 100 1HD LYS 100 12.588 8.632 10.293 791 2HD LYS 100 2HD LYS 100 13.945 8.188 9.260 792 1HE LYS 100 1HE LYS 100 14.599 10.802 9.157 793 2HE LYS 100 2HE LYS 100 13.246 11.212 10.051 794 1HZ LYS 100 1HZ LYS 100 15.338 9.369 11.015 795 2HZ LYS 100 2HZ LYS 100 15.427 10.937 11.287 796 H ASP 101 H ASP 101 11.050 9.969 5.196 797 HA ASP 101 HA ASP 101 8.757 11.735 5.945 798 1HB ASP 101 1HB ASP 101 10.111 13.676 5.163 799 2HB ASP 101 2HB ASP 101 10.826 12.897 6.533 800 HD2 ASP 101 HD ASP 101 12.675 13.403 3.064 801 H GLY 102 H GLY 102 10.623 10.698 3.119 802 1HA GLY 102 1HA GLY 102 9.376 11.850 0.912 803 2HA GLY 102 2HA GLY 102 10.091 10.253 0.965 804 H LEU 103 H LEU 103 8.367 9.004 2.586 805 HA LEU 103 HA LEU 103 6.009 8.232 0.921 806 1HB LEU 103 1HB LEU 103 7.330 6.496 1.689 807 2HB LEU 103 2HB LEU 103 7.351 7.055 3.294 808 HG LEU 103 HG LEU 103 4.781 6.642 3.312 809 1HD1 LEU 103 1HD1 LEU 103 4.128 4.651 1.429 810 2HD1 LEU 103 2HD1 LEU 103 4.140 6.369 0.902 811 3HD1 LEU 103 3HD1 LEU 103 5.461 5.230 0.640 812 1HD2 LEU 103 1HD2 LEU 103 5.014 4.153 3.840 813 2HD2 LEU 103 2HD2 LEU 103 6.568 4.151 2.968 814 3HD2 LEU 103 3HD2 LEU 103 6.253 5.187 4.496 815 HA PRO 104 HA PRO 104 3.343 10.294 4.431 816 1HB PRO 104 1HB PRO 104 5.341 12.222 5.512 817 2HB PRO 104 2HB PRO 104 3.981 11.522 6.248 818 1HG PRO 104 1HG PRO 104 6.457 10.584 6.801 819 2HG PRO 104 2HG PRO 104 5.160 9.450 6.655 820 1HD PRO 104 1HD PRO 104 7.205 9.859 4.433 821 2HD PRO 104 2HD PRO 104 6.228 8.345 4.745 822 H THR 105 H THR 105 5.809 12.085 2.393 823 HA THR 105 HA THR 105 4.291 14.514 1.826 824 HB THR 105 HB THR 105 6.758 13.397 0.648 825 HG1 THR 105 1HG THR 105 7.496 15.371 1.855 826 1HG2 THR 105 1HG2 THR 105 5.837 15.005 -1.071 827 2HG2 THR 105 2HG2 THR 105 5.759 16.311 0.159 828 3HG2 THR 105 3HG2 THR 105 7.269 15.570 -0.449 829 H LEU 106 H LEU 106 4.934 11.477 0.187 830 HA LEU 106 HA LEU 106 3.736 12.021 -2.350 831 1HB LEU 106 1HB LEU 106 5.470 10.582 -2.294 832 2HB LEU 106 2HB LEU 106 4.831 9.483 -1.033 833 HG LEU 106 HG LEU 106 2.955 8.748 -2.568 834 1HD1 LEU 106 1HD1 LEU 106 2.921 8.984 -4.746 835 2HD1 LEU 106 2HD1 LEU 106 2.997 10.661 -4.422 836 3HD1 LEU 106 3HD1 LEU 106 4.425 9.720 -5.110 837 1HD2 LEU 106 1HD2 LEU 106 4.321 7.251 -3.823 838 2HD2 LEU 106 2HD2 LEU 106 5.772 7.923 -3.695 839 3HD2 LEU 106 3HD2 LEU 106 4.869 7.159 -2.144 840 H VAL 107 H VAL 107 2.516 10.181 0.423 841 HA VAL 107 HA VAL 107 -0.225 9.724 -0.636 842 HB VAL 107 HB VAL 107 1.178 9.518 2.146 843 1HG1 VAL 107 1HG1 VAL 107 -1.164 9.839 2.913 844 2HG1 VAL 107 2HG1 VAL 107 -1.911 8.955 1.689 845 3HG1 VAL 107 3HG1 VAL 107 -0.840 8.064 2.785 846 1HG2 VAL 107 1HG2 VAL 107 0.738 7.010 1.681 847 2HG2 VAL 107 2HG2 VAL 107 -0.119 7.560 0.265 848 3HG2 VAL 107 3HG2 VAL 107 1.604 7.814 0.298 849 H ALA 108 H ALA 108 1.130 12.206 1.617 850 HA ALA 108 HA ALA 108 -1.164 13.814 1.865 851 1HB ALA 108 1HB ALA 108 0.350 15.814 2.097 852 2HB ALA 108 2HB ALA 108 1.084 14.520 2.977 853 3HB ALA 108 3HB ALA 108 1.651 14.838 1.334 854 H LYS 109 H LYS 109 0.966 14.121 -0.912 855 HA LYS 109 HA LYS 109 -0.722 15.873 -2.436 856 1HB LYS 109 1HB LYS 109 1.276 13.915 -3.520 857 2HB LYS 109 2HB LYS 109 0.396 15.188 -4.423 858 1HG LYS 109 1HG LYS 109 1.519 16.985 -3.125 859 2HG LYS 109 2HG LYS 109 2.393 15.743 -2.045 860 1HD LYS 109 1HD LYS 109 3.482 14.699 -4.171 861 2HD LYS 109 2HD LYS 109 2.884 16.034 -5.095 862 1HE LYS 109 1HE LYS 109 4.341 17.583 -3.887 863 2HE LYS 109 2HE LYS 109 4.588 16.320 -2.647 864 1HZ LYS 109 1HZ LYS 109 5.832 15.144 -4.387 865 2HZ LYS 109 2HZ LYS 109 5.315 16.226 -5.509 866 H HIS 110 H HIS 110 -0.844 12.406 -2.326 867 HA HIS 110 HA HIS 110 -2.816 12.086 -4.537 868 1HB HIS 110 1HB HIS 110 -1.478 10.253 -2.507 869 2HB HIS 110 2HB HIS 110 -2.958 9.670 -3.156 870 HD1 HIS 110 1HD HIS 110 -3.331 9.297 -5.822 871 HD2 HIS 110 2HD HIS 110 0.477 10.599 -4.492 872 HE1 HIS 110 1HE HIS 110 -1.689 9.831 -7.837 873 H ALA 111 H ALA 111 -3.072 11.756 -0.790 874 HA ALA 111 HA ALA 111 -5.883 11.579 -0.574 875 1HB ALA 111 1HB ALA 111 -5.556 12.421 1.697 876 2HB ALA 111 2HB ALA 111 -4.694 11.037 1.297 877 3HB ALA 111 3HB ALA 111 -3.884 12.650 1.426 878 H THR 112 H THR 112 -3.992 14.589 -0.802 879 HA THR 112 HA THR 112 -6.336 16.500 -0.528 880 HB THR 112 HB THR 112 -3.645 17.009 -1.875 881 HG1 THR 112 1HG THR 112 -3.711 16.133 0.283 882 1HG2 THR 112 1HG2 THR 112 -5.217 19.003 -2.315 883 2HG2 THR 112 2HG2 THR 112 -5.566 19.084 -0.615 884 3HG2 THR 112 3HG2 THR 112 -3.901 19.384 -1.145 885 H ALA 113 H ALA 113 -4.667 15.554 -3.573 886 HA ALA 113 HA ALA 113 -6.600 16.393 -5.483 887 1HB ALA 113 1HB ALA 113 -5.104 13.704 -5.724 888 2HB ALA 113 2HB ALA 113 -5.736 14.901 -7.010 889 3HB ALA 113 3HB ALA 113 -4.316 15.353 -6.057 890 HXT ALA 113 HO ALA 113 -8.221 13.074 -3.812 Start of MODEL 7 1 1H ALA 1 1H ALA 1 -14.870 10.322 15.451 2 2H ALA 1 2H ALA 1 -14.066 10.984 16.637 3 HA ALA 1 HA ALA 1 -11.911 9.959 15.910 4 1HB ALA 1 1HB ALA 1 -12.192 8.014 17.135 5 2HB ALA 1 2HB ALA 1 -13.314 9.189 17.882 6 3HB ALA 1 3HB ALA 1 -13.947 7.944 16.697 7 H GLU 2 H GLU 2 -11.097 9.499 13.947 8 HA GLU 2 HA GLU 2 -12.070 7.295 12.328 9 1HB GLU 2 1HB GLU 2 -13.522 9.519 11.589 10 2HB GLU 2 2HB GLU 2 -11.974 9.983 10.881 11 1HG GLU 2 1HG GLU 2 -11.989 7.881 9.465 12 2HG GLU 2 2HG GLU 2 -13.394 7.314 10.454 13 HE2 GLU 2 HE GLU 2 -13.934 10.472 8.015 14 H GLU 3 H GLU 3 -10.609 6.454 11.220 15 HA GLU 3 HA GLU 3 -8.122 7.903 10.308 16 1HB GLU 3 1HB GLU 3 -6.462 6.553 11.383 17 2HB GLU 3 2HB GLU 3 -7.361 7.555 12.532 18 1HG GLU 3 1HG GLU 3 -8.599 5.555 13.313 19 2HG GLU 3 2HG GLU 3 -7.760 4.479 12.012 20 HE2 GLU 3 HE GLU 3 -5.939 5.478 15.490 21 H GLY 4 H GLY 4 -6.532 6.571 9.314 22 1HA GLY 4 1HA GLY 4 -7.444 4.244 7.538 23 2HA GLY 4 2HA GLY 4 -5.818 4.872 7.566 24 H GLN 5 H GLN 5 -5.657 2.435 7.453 25 HA GLN 5 HA GLN 5 -5.134 1.312 10.025 26 1HB GLN 5 1HB GLN 5 -6.900 -0.270 10.250 27 2HB GLN 5 2HB GLN 5 -7.604 1.199 10.127 28 1HG GLN 5 1HG GLN 5 -7.965 0.577 7.414 29 2HG GLN 5 2HG GLN 5 -7.455 -0.926 8.047 30 1HE2 GLN 5 1HE2 GLN 5 -8.926 -2.108 9.352 31 2HE2 GLN 5 2HE2 GLN 5 -10.696 -1.717 9.333 32 H VAL 6 H VAL 6 -3.460 0.434 9.516 33 HA VAL 6 HA VAL 6 -2.665 -0.955 7.284 34 HB VAL 6 HB VAL 6 -1.218 -1.061 9.968 35 1HG1 VAL 6 1HG1 VAL 6 0.790 -1.659 8.439 36 2HG1 VAL 6 2HG1 VAL 6 -0.368 -2.904 8.864 37 3HG1 VAL 6 3HG1 VAL 6 -0.544 -2.179 7.277 38 1HG2 VAL 6 1HG2 VAL 6 -0.650 0.733 7.480 39 2HG2 VAL 6 2HG2 VAL 6 -1.308 1.256 9.092 40 3HG2 VAL 6 3HG2 VAL 6 0.323 0.655 9.019 41 H ILE 7 H ILE 7 -3.279 -2.997 6.762 42 HA ILE 7 HA ILE 7 -3.898 -5.267 8.614 43 HB ILE 7 HB ILE 7 -5.880 -4.155 7.621 44 1HG1 ILE 7 1HG1 ILE 7 -6.248 -6.174 8.771 45 2HG1 ILE 7 2HG1 ILE 7 -7.141 -6.145 7.188 46 1HG2 ILE 7 1HG2 ILE 7 -5.264 -3.740 5.328 47 2HG2 ILE 7 2HG2 ILE 7 -4.935 -5.436 4.958 48 3HG2 ILE 7 3HG2 ILE 7 -6.543 -4.922 5.251 49 1HD1 ILE 7 1HD1 ILE 7 -4.765 -7.755 7.580 50 2HD1 ILE 7 2HD1 ILE 7 -6.459 -8.355 7.555 51 3HD1 ILE 7 3HD1 ILE 7 -5.661 -7.716 5.980 52 H ALA 8 H ALA 8 -2.447 -6.907 8.538 53 HA ALA 8 HA ALA 8 -0.367 -7.508 6.622 54 1HB ALA 8 1HB ALA 8 0.141 -9.385 8.012 55 2HB ALA 8 2HB ALA 8 -0.147 -8.019 8.890 56 3HB ALA 8 3HB ALA 8 -1.488 -9.158 8.870 57 H CYS 9 H CYS 9 -0.444 -8.680 4.900 58 HA CYS 9 HA CYS 9 -2.846 -10.255 4.033 59 1HB CYS 9 1HB CYS 9 -1.447 -7.964 2.804 60 2HB CYS 9 2HB CYS 9 -2.394 -9.062 1.861 61 HG CYS 9 HG CYS 9 -3.454 -6.674 3.214 62 H HIS 10 H HIS 10 -2.484 -11.882 2.635 63 HA HIS 10 HA HIS 10 0.139 -13.103 2.168 64 1HB HIS 10 1HB HIS 10 -1.715 -14.315 4.380 65 2HB HIS 10 2HB HIS 10 -0.327 -15.091 3.723 66 HD1 HIS 10 1HD HIS 10 2.063 -13.511 3.961 67 HD2 HIS 10 2HD HIS 10 -1.279 -12.628 6.394 68 HE1 HIS 10 1HE HIS 10 2.833 -12.116 6.078 69 H THR 11 H THR 11 -3.047 -13.194 1.248 70 HA THR 11 HA THR 11 -2.849 -15.717 -0.316 71 HB THR 11 HB THR 11 -4.811 -16.760 0.627 72 HG1 THR 11 1HG THR 11 -5.852 -15.826 2.459 73 1HG2 THR 11 1HG2 THR 11 -2.725 -17.270 1.896 74 2HG2 THR 11 2HG2 THR 11 -3.080 -16.132 3.113 75 3HG2 THR 11 3HG2 THR 11 -4.138 -17.476 2.858 76 H VAL 12 H VAL 12 -5.089 -15.991 -1.265 77 HA VAL 12 HA VAL 12 -6.036 -13.718 -2.728 78 HB VAL 12 HB VAL 12 -6.438 -15.960 -3.520 79 1HG1 VAL 12 1HG1 VAL 12 -8.851 -16.043 -1.624 80 2HG1 VAL 12 2HG1 VAL 12 -8.344 -17.316 -2.839 81 3HG1 VAL 12 3HG1 VAL 12 -7.399 -17.021 -1.406 82 1HG2 VAL 12 1HG2 VAL 12 -7.445 -14.135 -4.541 83 2HG2 VAL 12 2HG2 VAL 12 -8.507 -15.624 -4.703 84 3HG2 VAL 12 3HG2 VAL 12 -8.976 -14.174 -3.644 85 H ASP 13 H ASP 13 -6.521 -14.030 0.506 86 HA ASP 13 HA ASP 13 -9.175 -12.813 0.867 87 1HB ASP 13 1HB ASP 13 -6.799 -13.320 2.762 88 2HB ASP 13 2HB ASP 13 -8.031 -12.086 3.184 89 HD2 ASP 13 HD ASP 13 -9.208 -12.949 4.484 90 H THR 14 H THR 14 -5.870 -11.498 0.930 91 HA THR 14 HA THR 14 -6.603 -8.754 0.856 92 HB THR 14 HB THR 14 -4.257 -9.569 1.029 93 HG1 THR 14 1HG THR 14 -3.474 -7.659 0.299 94 1HG2 THR 14 1HG2 THR 14 -4.217 -10.759 -1.357 95 2HG2 THR 14 2HG2 THR 14 -3.996 -9.194 -1.975 96 3HG2 THR 14 3HG2 THR 14 -2.702 -9.767 -0.842 97 H TRP 15 H TRP 15 -6.528 -10.974 -1.880 98 HA TRP 15 HA TRP 15 -6.973 -9.005 -4.042 99 1HB TRP 15 1HB TRP 15 -7.428 -12.000 -3.786 100 2HB TRP 15 2HB TRP 15 -8.404 -11.348 -4.833 101 HD1 TRP 15 HD TRP 15 -4.768 -12.390 -4.647 102 HE1 TRP 15 1HE TRP 15 -3.565 -11.941 -6.893 103 HE3 TRP 15 3HE TRP 15 -8.147 -9.021 -6.589 104 HZ2 TRP 15 2HZ TRP 15 -4.214 -10.443 -9.365 105 HZ3 TRP 15 3HZ TRP 15 -7.771 -8.151 -8.974 106 HH2 TRP 15 HH TRP 15 -5.882 -9.086 -10.321 107 H LYS 16 H LYS 16 -9.481 -10.831 -1.986 108 HA LYS 16 HA LYS 16 -11.730 -9.286 -2.905 109 1HB LYS 16 1HB LYS 16 -11.346 -10.577 -0.223 110 2HB LYS 16 2HB LYS 16 -12.819 -9.734 -0.761 111 1HG LYS 16 1HG LYS 16 -13.154 -11.289 -2.533 112 2HG LYS 16 2HG LYS 16 -11.804 -12.106 -2.243 113 1HD LYS 16 1HD LYS 16 -14.271 -12.107 -0.650 114 2HD LYS 16 2HD LYS 16 -13.643 -13.596 -1.318 115 1HE LYS 16 1HE LYS 16 -11.761 -13.748 0.115 116 2HE LYS 16 2HE LYS 16 -12.117 -12.233 0.943 117 1HZ LYS 16 1HZ LYS 16 -12.943 -14.228 2.121 118 2HZ LYS 16 2HZ LYS 16 -14.104 -13.092 1.966 119 H GLU 17 H GLU 17 -9.376 -8.422 -0.298 120 HA GLU 17 HA GLU 17 -10.726 -5.991 0.767 121 1HB GLU 17 1HB GLU 17 -7.959 -7.121 0.964 122 2HB GLU 17 2HB GLU 17 -8.112 -5.546 1.632 123 1HG GLU 17 1HG GLU 17 -9.856 -6.472 3.151 124 2HG GLU 17 2HG GLU 17 -9.940 -8.036 2.373 125 HE2 GLU 17 HE GLU 17 -7.730 -7.429 5.547 126 H HIS 18 H HIS 18 -7.722 -6.244 -1.288 127 HA HIS 18 HA HIS 18 -7.095 -3.526 -1.799 128 1HB HIS 18 1HB HIS 18 -5.486 -5.187 -1.940 129 2HB HIS 18 2HB HIS 18 -6.328 -5.975 -3.226 130 HD1 HIS 18 1HD HIS 18 -6.034 -5.395 -5.601 131 HD2 HIS 18 2HD HIS 18 -3.943 -3.101 -2.735 132 HE1 HIS 18 1HE HIS 18 -4.710 -3.392 -6.776 133 H PHE 19 H PHE 19 -8.870 -5.805 -3.888 134 HA PHE 19 HA PHE 19 -9.110 -3.949 -5.945 135 1HB PHE 19 1HB PHE 19 -9.023 -6.666 -6.011 136 2HB PHE 19 2HB PHE 19 -10.722 -6.450 -5.884 137 HD1 PHE 19 1HD PHE 19 -12.213 -5.301 -7.840 138 HD2 PHE 19 2HD PHE 19 -7.867 -5.529 -8.043 139 HE1 PHE 19 1HE PHE 19 -12.198 -4.615 -10.116 140 HE2 PHE 19 2HE PHE 19 -8.023 -5.109 -10.359 141 HZ PHE 19 HZ PHE 19 -10.122 -4.473 -11.464 142 H GLU 20 H GLU 20 -11.610 -5.649 -3.936 143 HA GLU 20 HA GLU 20 -13.974 -4.213 -4.734 144 1HB GLU 20 1HB GLU 20 -13.641 -5.570 -2.072 145 2HB GLU 20 2HB GLU 20 -15.175 -4.849 -2.664 146 1HG GLU 20 1HG GLU 20 -13.618 -7.362 -3.657 147 2HG GLU 20 2HG GLU 20 -15.264 -7.188 -3.020 148 HE2 GLU 20 HE GLU 20 -14.994 -7.254 -6.920 149 H LYS 21 H LYS 21 -11.619 -3.479 -2.119 150 HA LYS 21 HA LYS 21 -13.029 -1.103 -1.106 151 1HB LYS 21 1HB LYS 21 -9.980 -1.723 -0.781 152 2HB LYS 21 2HB LYS 21 -10.715 -0.265 -0.146 153 1HG LYS 21 1HG LYS 21 -11.678 -3.110 0.551 154 2HG LYS 21 2HG LYS 21 -10.360 -2.264 1.394 155 1HD LYS 21 1HD LYS 21 -12.046 -0.487 2.079 156 2HD LYS 21 2HD LYS 21 -13.360 -1.484 1.450 157 1HE LYS 21 1HE LYS 21 -13.318 -2.392 3.487 158 2HE LYS 21 2HE LYS 21 -12.099 -3.466 2.818 159 1HZ LYS 21 1HZ LYS 21 -11.907 -1.350 4.889 160 2HZ LYS 21 2HZ LYS 21 -11.414 -2.852 4.846 161 H GLY 22 H GLY 22 -10.297 -1.356 -3.358 162 1HA GLY 22 1HA GLY 22 -9.738 1.391 -3.986 163 2HA GLY 22 2HA GLY 22 -9.356 -0.031 -4.930 164 H LYS 23 H LYS 23 -10.828 -0.837 -6.385 165 HA LYS 23 HA LYS 23 -12.674 1.091 -7.779 166 1HB LYS 23 1HB LYS 23 -11.112 -0.075 -9.199 167 2HB LYS 23 2HB LYS 23 -11.707 -1.582 -8.595 168 1HG LYS 23 1HG LYS 23 -14.136 -0.907 -9.302 169 2HG LYS 23 2HG LYS 23 -13.360 0.235 -10.324 170 1HD LYS 23 1HD LYS 23 -12.818 -2.750 -10.237 171 2HD LYS 23 2HD LYS 23 -13.965 -1.894 -11.386 172 1HE LYS 23 1HE LYS 23 -10.934 -1.193 -11.327 173 2HE LYS 23 2HE LYS 23 -11.717 -2.586 -12.258 174 1HZ LYS 23 1HZ LYS 23 -12.195 0.461 -12.523 175 2HZ LYS 23 2HZ LYS 23 -11.911 -0.691 -13.753 176 H GLY 24 H GLY 24 -14.012 1.164 -6.535 177 1HA GLY 24 1HA GLY 24 -16.444 -0.002 -6.804 178 2HA GLY 24 2HA GLY 24 -15.972 -1.065 -5.454 179 H SER 25 H SER 25 -14.608 1.032 -4.055 180 HA SER 25 HA SER 25 -16.794 2.181 -2.517 181 1HB SER 25 1HB SER 25 -14.154 1.353 -1.192 182 2HB SER 25 2HB SER 25 -15.412 2.132 -0.395 183 HG SER 25 HG SER 25 -15.351 -0.366 -1.627 184 H GLN 26 H GLN 26 -16.796 4.316 -2.639 185 HA GLN 26 HA GLN 26 -14.922 6.122 -4.035 186 1HB GLN 26 1HB GLN 26 -17.076 6.570 -1.885 187 2HB GLN 26 2HB GLN 26 -16.213 7.943 -2.464 188 1HG GLN 26 1HG GLN 26 -18.287 7.674 -3.621 189 2HG GLN 26 2HG GLN 26 -16.890 7.548 -4.794 190 1HE2 GLN 26 1HE2 GLN 26 -17.873 6.221 -6.540 191 2HE2 GLN 26 2HE2 GLN 26 -19.337 5.150 -6.248 192 H LYS 27 H LYS 27 -13.003 5.295 -2.949 193 HA LYS 27 HA LYS 27 -11.803 7.238 -1.046 194 1HB LYS 27 1HB LYS 27 -11.039 5.527 0.604 195 2HB LYS 27 2HB LYS 27 -12.730 5.557 0.623 196 1HG LYS 27 1HG LYS 27 -12.907 3.489 -0.710 197 2HG LYS 27 2HG LYS 27 -11.139 3.352 -0.917 198 1HD LYS 27 1HD LYS 27 -11.484 1.865 0.804 199 2HD LYS 27 2HD LYS 27 -10.691 3.223 1.459 200 1HE LYS 27 1HE LYS 27 -12.837 3.967 2.595 201 2HE LYS 27 2HE LYS 27 -13.643 2.497 1.912 202 1HZ LYS 27 1HZ LYS 27 -11.242 1.854 3.280 203 2HZ LYS 27 2HZ LYS 27 -11.751 2.974 4.163 204 H LEU 28 H LEU 28 -9.587 6.491 -0.446 205 HA LEU 28 HA LEU 28 -7.991 5.532 -2.793 206 1HB LEU 28 1HB LEU 28 -7.465 7.948 -1.949 207 2HB LEU 28 2HB LEU 28 -6.984 7.239 -0.412 208 HG LEU 28 HG LEU 28 -5.103 5.871 -1.434 209 1HD1 LEU 28 1HD1 LEU 28 -5.972 5.712 -4.014 210 2HD1 LEU 28 2HD1 LEU 28 -5.635 7.392 -4.039 211 3HD1 LEU 28 3HD1 LEU 28 -4.437 6.163 -3.818 212 1HD2 LEU 28 1HD2 LEU 28 -4.760 8.754 -2.247 213 2HD2 LEU 28 2HD2 LEU 28 -4.894 8.392 -0.564 214 3HD2 LEU 28 3HD2 LEU 28 -3.618 7.621 -1.618 215 H ILE 29 H ILE 29 -6.481 4.049 -2.384 216 HA ILE 29 HA ILE 29 -6.034 2.572 0.149 217 HB ILE 29 HB ILE 29 -6.461 0.417 -0.527 218 1HG1 ILE 29 1HG1 ILE 29 -7.013 0.948 -3.403 219 2HG1 ILE 29 2HG1 ILE 29 -5.407 0.563 -2.815 220 1HG2 ILE 29 1HG2 ILE 29 -8.754 0.252 -0.732 221 2HG2 ILE 29 2HG2 ILE 29 -8.601 1.832 -0.117 222 3HG2 ILE 29 3HG2 ILE 29 -8.884 1.612 -1.772 223 1HD1 ILE 29 1HD1 ILE 29 -5.912 -1.617 -2.008 224 2HD1 ILE 29 2HD1 ILE 29 -7.706 -1.259 -2.027 225 3HD1 ILE 29 3HD1 ILE 29 -6.584 -1.456 -3.604 226 H VAL 30 H VAL 30 -4.062 1.587 0.301 227 HA VAL 30 HA VAL 30 -1.922 2.258 -1.622 228 HB VAL 30 HB VAL 30 -1.842 3.145 1.193 229 1HG1 VAL 30 1HG1 VAL 30 0.599 2.774 0.469 230 2HG1 VAL 30 2HG1 VAL 30 0.081 3.738 -1.004 231 3HG1 VAL 30 3HG1 VAL 30 0.280 4.571 0.477 232 1HG2 VAL 30 1HG2 VAL 30 -1.964 5.566 0.616 233 2HG2 VAL 30 2HG2 VAL 30 -2.148 5.113 -1.166 234 3HG2 VAL 30 3HG2 VAL 30 -3.424 4.871 0.069 235 H VAL 31 H VAL 31 -0.341 0.906 -1.587 236 HA VAL 31 HA VAL 31 -0.217 -1.266 0.437 237 HB VAL 31 HB VAL 31 -2.140 -1.731 -1.045 238 1HG1 VAL 31 1HG1 VAL 31 -0.337 -1.014 -3.310 239 2HG1 VAL 31 2HG1 VAL 31 -1.499 -2.290 -3.642 240 3HG1 VAL 31 3HG1 VAL 31 -2.128 -0.710 -2.967 241 1HG2 VAL 31 1HG2 VAL 31 -1.700 -3.974 -1.624 242 2HG2 VAL 31 2HG2 VAL 31 0.029 -3.779 -2.009 243 3HG2 VAL 31 3HG2 VAL 31 -0.533 -3.741 -0.280 244 H ASP 32 H ASP 32 1.594 -1.556 0.956 245 HA ASP 32 HA ASP 32 4.077 -1.351 -0.689 246 1HB ASP 32 1HB ASP 32 4.086 -0.840 1.866 247 2HB ASP 32 2HB ASP 32 4.120 -2.640 2.049 248 HD2 ASP 32 HD ASP 32 7.274 -1.746 -0.177 249 H PHE 33 H PHE 33 4.960 -2.997 -1.792 250 HA PHE 33 HA PHE 33 4.267 -5.932 -1.518 251 1HB PHE 33 1HB PHE 33 4.876 -4.187 -3.921 252 2HB PHE 33 2HB PHE 33 4.898 -5.968 -3.961 253 HD1 PHE 33 1HD PHE 33 2.818 -7.407 -3.528 254 HD2 PHE 33 2HD PHE 33 2.668 -3.119 -4.208 255 HE1 PHE 33 1HE PHE 33 0.409 -7.521 -3.789 256 HE2 PHE 33 2HE PHE 33 0.266 -3.330 -4.535 257 HZ PHE 33 HZ PHE 33 -0.869 -5.460 -4.326 258 H THR 34 H THR 34 5.988 -6.707 -0.393 259 HA THR 34 HA THR 34 8.690 -5.659 -0.544 260 HB THR 34 HB THR 34 7.712 -3.982 1.002 261 HG1 THR 34 1HG THR 34 9.289 -4.358 2.724 262 1HG2 THR 34 1HG2 THR 34 6.894 -6.215 2.921 263 2HG2 THR 34 2HG2 THR 34 6.886 -4.405 3.301 264 3HG2 THR 34 3HG2 THR 34 5.790 -4.962 2.105 265 H ALA 35 H ALA 35 9.892 -7.136 0.273 266 HA ALA 35 HA ALA 35 9.073 -9.986 0.837 267 1HB ALA 35 1HB ALA 35 11.348 -10.412 0.495 268 2HB ALA 35 2HB ALA 35 10.891 -9.121 -0.639 269 3HB ALA 35 3HB ALA 35 11.780 -8.619 0.775 270 H SER 36 H SER 36 9.215 -10.958 3.025 271 HA SER 36 HA SER 36 10.060 -9.693 5.377 272 1HB SER 36 1HB SER 36 8.969 -12.036 5.171 273 2HB SER 36 2HB SER 36 10.466 -12.559 4.521 274 HG SER 36 HG SER 36 9.807 -12.317 7.101 275 H TRP 37 H TRP 37 12.268 -11.406 3.196 276 HA TRP 37 HA TRP 37 14.605 -10.219 4.413 277 1HB TRP 37 1HB TRP 37 15.749 -10.535 2.163 278 2HB TRP 37 2HB TRP 37 15.191 -11.972 2.895 279 HD1 TRP 37 HD TRP 37 13.082 -13.138 2.025 280 HE1 TRP 37 1HE TRP 37 12.123 -13.711 -0.358 281 HE3 TRP 37 3HE TRP 37 15.168 -9.238 -0.208 282 HZ2 TRP 37 2HZ TRP 37 12.148 -12.335 -2.786 283 HZ3 TRP 37 3HZ TRP 37 14.603 -8.802 -2.537 284 HH2 TRP 37 HH TRP 37 13.184 -10.271 -3.854 285 H CYS 38 H CYS 38 13.884 -8.165 4.905 286 HA CYS 38 HA CYS 38 14.964 -5.945 3.304 287 1HB CYS 38 1HB CYS 38 12.809 -6.054 2.078 288 2HB CYS 38 2HB CYS 38 11.935 -5.730 3.658 289 HG CYS 38 HG CYS 38 13.589 -4.272 1.420 290 HA PRO 39 HA PRO 39 14.892 -4.409 7.909 291 1HB PRO 39 1HB PRO 39 17.383 -3.099 7.239 292 2HB PRO 39 2HB PRO 39 16.974 -4.446 8.510 293 1HG PRO 39 1HG PRO 39 18.593 -4.787 6.089 294 2HG PRO 39 2HG PRO 39 17.871 -6.067 7.142 295 1HD PRO 39 1HD PRO 39 16.855 -4.932 4.521 296 2HD PRO 39 2HD PRO 39 16.618 -6.536 5.147 297 HA PRO 40 HA PRO 40 14.982 0.144 5.877 298 1HB PRO 40 1HB PRO 40 14.428 -0.708 2.928 299 2HB PRO 40 2HB PRO 40 15.140 0.735 3.557 300 1HG PRO 40 1HG PRO 40 16.621 -1.334 2.521 301 2HG PRO 40 2HG PRO 40 17.355 -0.325 3.873 302 1HD PRO 40 1HD PRO 40 16.097 -3.087 3.930 303 2HD PRO 40 2HD PRO 40 17.344 -2.313 5.071 304 H CYS 41 H CYS 41 12.892 -2.291 4.438 305 HA CYS 41 HA CYS 41 10.453 -0.748 5.045 306 1HB CYS 41 1HB CYS 41 10.505 -3.280 3.383 307 2HB CYS 41 2HB CYS 41 8.998 -2.682 4.077 308 HG CYS 41 HG CYS 41 8.869 -0.986 2.187 309 H LYS 42 H LYS 42 12.228 -3.235 6.716 310 HA LYS 42 HA LYS 42 10.206 -3.799 8.603 311 1HB LYS 42 1HB LYS 42 12.549 -4.917 8.478 312 2HB LYS 42 2HB LYS 42 13.274 -3.493 9.196 313 1HG LYS 42 1HG LYS 42 11.822 -3.732 11.215 314 2HG LYS 42 2HG LYS 42 11.118 -5.237 10.501 315 1HD LYS 42 1HD LYS 42 13.388 -6.296 10.261 316 2HD LYS 42 2HD LYS 42 14.099 -4.940 11.165 317 1HE LYS 42 1HE LYS 42 13.849 -6.883 12.609 318 2HE LYS 42 2HE LYS 42 12.886 -5.509 13.252 319 1HZ LYS 42 1HZ LYS 42 11.787 -7.981 12.344 320 2HZ LYS 42 2HZ LYS 42 11.251 -6.871 13.456 321 H MET 43 H MET 43 12.234 -1.010 8.486 322 HA MET 43 HA MET 43 10.950 0.490 10.773 323 1HB MET 43 1HB MET 43 12.427 2.440 10.208 324 2HB MET 43 2HB MET 43 13.262 1.036 10.711 325 1HG MET 43 1HG MET 43 13.799 0.551 8.112 326 2HG MET 43 2HG MET 43 12.926 2.047 7.833 327 1HE MET 43 1HE MET 43 15.098 2.293 6.317 328 2HE MET 43 2HE MET 43 16.472 3.180 6.841 329 3HE MET 43 3HE MET 43 16.484 1.497 7.134 330 H ILE 44 H ILE 44 10.763 0.517 7.331 331 HA ILE 44 HA ILE 44 8.712 2.464 7.450 332 HB ILE 44 HB ILE 44 10.130 1.359 5.185 333 1HG1 ILE 44 1HG1 ILE 44 8.924 3.097 3.988 334 2HG1 ILE 44 2HG1 ILE 44 7.832 3.326 5.375 335 1HG2 ILE 44 1HG2 ILE 44 7.104 0.727 4.833 336 2HG2 ILE 44 2HG2 ILE 44 8.426 0.770 3.509 337 3HG2 ILE 44 3HG2 ILE 44 8.435 -0.442 4.875 338 1HD1 ILE 44 1HD1 ILE 44 9.933 4.121 6.653 339 2HD1 ILE 44 2HD1 ILE 44 10.970 3.788 5.142 340 3HD1 ILE 44 3HD1 ILE 44 9.670 4.897 5.100 341 H ALA 45 H ALA 45 8.272 -0.926 8.055 342 HA ALA 45 HA ALA 45 5.376 -0.965 8.093 343 1HB ALA 45 1HB ALA 45 7.236 -2.548 10.096 344 2HB ALA 45 2HB ALA 45 5.465 -2.574 9.944 345 3HB ALA 45 3HB ALA 45 6.492 -3.115 8.560 346 HA PRO 46 HA PRO 46 4.927 1.611 12.227 347 1HB PRO 46 1HB PRO 46 7.821 2.248 12.810 348 2HB PRO 46 2HB PRO 46 6.450 2.171 13.787 349 1HG PRO 46 1HG PRO 46 8.276 0.076 13.571 350 2HG PRO 46 2HG PRO 46 6.540 -0.348 13.802 351 1HD PRO 46 1HD PRO 46 8.314 -0.215 11.307 352 2HD PRO 46 2HD PRO 46 7.119 -1.417 11.812 353 H ILE 47 H ILE 47 7.303 2.921 9.941 354 HA ILE 47 HA ILE 47 6.063 5.617 10.060 355 HB ILE 47 HB ILE 47 7.465 4.423 7.821 356 1HG1 ILE 47 1HG1 ILE 47 9.068 4.468 9.549 357 2HG1 ILE 47 2HG1 ILE 47 9.502 5.763 8.402 358 1HG2 ILE 47 1HG2 ILE 47 6.380 6.380 6.887 359 2HG2 ILE 47 2HG2 ILE 47 7.077 7.499 8.098 360 3HG2 ILE 47 3HG2 ILE 47 8.040 6.635 6.884 361 1HD1 ILE 47 1HD1 ILE 47 9.656 6.785 10.493 362 2HD1 ILE 47 2HD1 ILE 47 8.198 7.420 9.763 363 3HD1 ILE 47 3HD1 ILE 47 8.223 6.227 11.171 364 H PHE 48 H PHE 48 5.427 3.256 7.796 365 HA PHE 48 HA PHE 48 3.012 4.235 6.426 366 1HB PHE 48 1HB PHE 48 4.566 2.615 5.769 367 2HB PHE 48 2HB PHE 48 4.119 1.513 7.102 368 HD1 PHE 48 1HD PHE 48 2.002 0.264 6.929 369 HD2 PHE 48 2HD PHE 48 3.283 2.574 3.542 370 HE1 PHE 48 1HE PHE 48 0.539 -1.041 5.388 371 HE2 PHE 48 2HE PHE 48 1.734 1.601 2.202 372 HZ PHE 48 HZ PHE 48 0.422 -0.428 2.946 373 H ALA 49 H ALA 49 3.160 2.367 9.491 374 HA ALA 49 HA ALA 49 0.468 2.554 10.261 375 1HB ALA 49 1HB ALA 49 1.332 0.922 11.178 376 2HB ALA 49 2HB ALA 49 2.900 1.715 11.608 377 3HB ALA 49 3HB ALA 49 1.380 1.972 12.514 378 H GLU 50 H GLU 50 2.960 5.097 11.105 379 HA GLU 50 HA GLU 50 1.372 6.524 13.038 380 1HB GLU 50 1HB GLU 50 3.745 6.368 13.293 381 2HB GLU 50 2HB GLU 50 3.999 7.072 11.715 382 1HG GLU 50 1HG GLU 50 2.618 8.665 14.017 383 2HG GLU 50 2HG GLU 50 4.311 8.599 13.937 384 HE2 GLU 50 HE GLU 50 2.578 11.367 11.944 385 H LEU 51 H LEU 51 2.469 6.991 9.763 386 HA LEU 51 HA LEU 51 0.934 9.276 9.003 387 1HB LEU 51 1HB LEU 51 2.891 8.634 7.870 388 2HB LEU 51 2HB LEU 51 2.519 7.008 7.608 389 HG LEU 51 HG LEU 51 2.706 8.573 5.590 390 1HD1 LEU 51 1HD1 LEU 51 0.233 6.850 5.688 391 2HD1 LEU 51 2HD1 LEU 51 1.120 7.384 4.253 392 3HD1 LEU 51 3HD1 LEU 51 1.873 6.180 5.323 393 1HD2 LEU 51 1HD2 LEU 51 1.564 10.493 6.286 394 2HD2 LEU 51 2HD2 LEU 51 0.710 9.791 4.853 395 3HD2 LEU 51 3HD2 LEU 51 0.076 9.628 6.611 396 H ALA 52 H ALA 52 0.000 5.941 9.107 397 HA ALA 52 HA ALA 52 -2.631 6.091 7.749 398 1HB ALA 52 1HB ALA 52 -1.514 3.866 7.951 399 2HB ALA 52 2HB ALA 52 -1.734 3.876 9.680 400 3HB ALA 52 3HB ALA 52 -3.145 3.796 8.783 401 H LYS 53 H LYS 53 -1.491 6.483 10.986 402 HA LYS 53 HA LYS 53 -4.101 7.075 12.399 403 1HB LYS 53 1HB LYS 53 -1.123 7.522 13.365 404 2HB LYS 53 2HB LYS 53 -2.568 7.849 14.338 405 1HG LYS 53 1HG LYS 53 -3.433 5.530 13.932 406 2HG LYS 53 2HG LYS 53 -2.088 5.034 13.000 407 1HD LYS 53 1HD LYS 53 -2.050 5.826 16.051 408 2HD LYS 53 2HD LYS 53 -1.926 4.201 15.301 409 1HE LYS 53 1HE LYS 53 0.242 4.599 14.377 410 2HE LYS 53 2HE LYS 53 0.301 6.353 14.753 411 1HZ LYS 53 1HZ LYS 53 0.231 5.475 17.121 412 2HZ LYS 53 2HZ LYS 53 0.601 3.958 16.432 413 H LYS 54 H LYS 54 -1.874 8.934 10.645 414 HA LYS 54 HA LYS 54 -2.687 11.563 11.602 415 1HB LYS 54 1HB LYS 54 -0.298 10.724 10.924 416 2HB LYS 54 2HB LYS 54 -0.869 10.829 9.207 417 1HG LYS 54 1HG LYS 54 -1.756 13.341 10.211 418 2HG LYS 54 2HG LYS 54 -0.583 12.950 11.392 419 1HD LYS 54 1HD LYS 54 0.078 13.101 8.396 420 2HD LYS 54 2HD LYS 54 0.355 14.449 9.558 421 1HE LYS 54 1HE LYS 54 2.024 13.020 10.730 422 2HE LYS 54 2HE LYS 54 1.476 11.667 9.638 423 1HZ LYS 54 1HZ LYS 54 2.591 14.187 8.680 424 2HZ LYS 54 2HZ LYS 54 3.535 12.798 8.698 425 H PHE 55 H PHE 55 -3.530 9.347 8.905 426 HA PHE 55 HA PHE 55 -5.216 11.358 7.434 427 1HB PHE 55 1HB PHE 55 -2.815 9.675 6.630 428 2HB PHE 55 2HB PHE 55 -4.148 9.528 5.595 429 HD1 PHE 55 1HD PHE 55 -4.911 11.384 4.185 430 HD2 PHE 55 2HD PHE 55 -1.646 11.646 6.876 431 HE1 PHE 55 1HE PHE 55 -4.155 13.644 3.015 432 HE2 PHE 55 2HE PHE 55 -0.975 13.913 5.911 433 HZ PHE 55 HZ PHE 55 -2.360 14.832 3.964 434 HA PRO 56 HA PRO 56 -8.417 8.193 8.207 435 1HB PRO 56 1HB PRO 56 -10.573 9.700 8.029 436 2HB PRO 56 2HB PRO 56 -9.391 9.928 9.391 437 1HG PRO 56 1HG PRO 56 -9.449 11.591 6.708 438 2HG PRO 56 2HG PRO 56 -9.177 12.151 8.524 439 1HD PRO 56 1HD PRO 56 -7.219 11.622 6.677 440 2HD PRO 56 2HD PRO 56 -6.938 11.750 8.446 441 H ASN 57 H ASN 57 -8.291 9.452 4.973 442 HA ASN 57 HA ASN 57 -10.817 8.525 3.797 443 1HB ASN 57 1HB ASN 57 -10.456 9.798 1.905 444 2HB ASN 57 2HB ASN 57 -10.207 10.817 3.296 445 1HD2 ASN 57 1HD2 ASN 57 -7.790 11.476 3.950 446 2HD2 ASN 57 2HD2 ASN 57 -6.641 11.273 2.641 447 H VAL 58 H VAL 58 -8.177 7.293 4.591 448 HA VAL 58 HA VAL 58 -7.645 5.663 2.125 449 HB VAL 58 HB VAL 58 -6.443 7.710 2.205 450 1HG1 VAL 58 1HG1 VAL 58 -5.402 6.882 4.863 451 2HG1 VAL 58 2HG1 VAL 58 -4.443 8.038 4.010 452 3HG1 VAL 58 3HG1 VAL 58 -6.091 8.466 4.482 453 1HG2 VAL 58 1HG2 VAL 58 -4.324 7.164 1.752 454 2HG2 VAL 58 2HG2 VAL 58 -4.381 5.575 2.537 455 3HG2 VAL 58 3HG2 VAL 58 -5.339 5.796 1.119 456 H THR 59 H THR 59 -8.020 3.635 2.590 457 HA THR 59 HA THR 59 -7.166 1.890 4.898 458 HB THR 59 HB THR 59 -7.789 1.380 1.972 459 HG1 THR 59 1HG THR 59 -9.853 0.601 3.134 460 1HG2 THR 59 1HG2 THR 59 -8.553 -0.803 2.794 461 2HG2 THR 59 2HG2 THR 59 -6.761 -0.593 2.953 462 3HG2 THR 59 3HG2 THR 59 -8.087 -0.558 4.434 463 H PHE 60 H PHE 60 -5.503 0.614 4.920 464 HA PHE 60 HA PHE 60 -3.070 0.897 3.119 465 1HB PHE 60 1HB PHE 60 -3.052 1.346 6.241 466 2HB PHE 60 2HB PHE 60 -1.747 0.956 5.306 467 HD1 PHE 60 1HD PHE 60 -0.833 2.594 3.706 468 HD2 PHE 60 2HD PHE 60 -4.154 3.617 6.027 469 HE1 PHE 60 1HE PHE 60 -0.433 5.054 3.234 470 HE2 PHE 60 2HE PHE 60 -3.731 6.008 5.657 471 HZ PHE 60 HZ PHE 60 -2.019 6.793 4.295 472 H LEU 61 H LEU 61 -2.345 -1.035 2.591 473 HA LEU 61 HA LEU 61 -2.436 -3.232 4.526 474 1HB LEU 61 1HB LEU 61 -3.743 -4.428 3.287 475 2HB LEU 61 2HB LEU 61 -4.355 -2.977 2.866 476 HG LEU 61 HG LEU 61 -2.842 -3.083 0.755 477 1HD1 LEU 61 1HD1 LEU 61 -3.271 -6.118 1.223 478 2HD1 LEU 61 2HD1 LEU 61 -2.915 -5.470 -0.360 479 3HD1 LEU 61 3HD1 LEU 61 -1.742 -5.277 0.876 480 1HD2 LEU 61 1HD2 LEU 61 -5.419 -2.877 0.889 481 2HD2 LEU 61 2HD2 LEU 61 -4.772 -4.008 -0.432 482 3HD2 LEU 61 3HD2 LEU 61 -5.405 -4.671 1.096 483 H LYS 62 H LYS 62 -1.053 -5.011 3.916 484 HA LYS 62 HA LYS 62 1.493 -4.331 2.442 485 1HB LYS 62 1HB LYS 62 3.111 -4.436 4.331 486 2HB LYS 62 2HB LYS 62 2.004 -3.194 4.290 487 1HG LYS 62 1HG LYS 62 0.629 -4.110 6.192 488 2HG LYS 62 2HG LYS 62 1.143 -5.769 5.868 489 1HD LYS 62 1HD LYS 62 3.387 -5.134 6.633 490 2HD LYS 62 2HD LYS 62 2.855 -3.651 6.930 491 1HE LYS 62 1HE LYS 62 1.207 -4.717 8.670 492 2HE LYS 62 2HE LYS 62 1.722 -6.289 8.271 493 1HZ LYS 62 1HZ LYS 62 3.798 -4.498 9.257 494 2HZ LYS 62 2HZ LYS 62 3.665 -6.197 9.195 495 H VAL 63 H VAL 63 1.630 -5.775 1.331 496 HA VAL 63 HA VAL 63 1.120 -8.693 1.576 497 HB VAL 63 HB VAL 63 1.771 -6.936 -0.821 498 1HG1 VAL 63 1HG1 VAL 63 1.424 -9.145 -2.164 499 2HG1 VAL 63 2HG1 VAL 63 2.942 -9.104 -1.313 500 3HG1 VAL 63 3HG1 VAL 63 1.582 -10.060 -0.679 501 1HG2 VAL 63 1HG2 VAL 63 -0.719 -7.190 0.244 502 2HG2 VAL 63 2HG2 VAL 63 -0.553 -7.377 -1.482 503 3HG2 VAL 63 3HG2 VAL 63 -0.591 -8.850 -0.423 504 H ASP 64 H ASP 64 2.517 -9.866 2.671 505 HA ASP 64 HA ASP 64 5.495 -10.077 2.153 506 1HB ASP 64 1HB ASP 64 4.111 -11.481 3.891 507 2HB ASP 64 2HB ASP 64 3.792 -12.491 2.618 508 HD2 ASP 64 HD ASP 64 7.301 -13.223 1.898 509 H VAL 65 H VAL 65 5.862 -9.645 0.051 510 HA VAL 65 HA VAL 65 4.691 -10.640 -2.252 511 HB VAL 65 HB VAL 65 6.397 -8.883 -1.999 512 1HG1 VAL 65 1HG1 VAL 65 8.827 -9.286 -2.544 513 2HG1 VAL 65 2HG1 VAL 65 8.408 -10.275 -1.169 514 3HG1 VAL 65 3HG1 VAL 65 8.448 -11.044 -2.826 515 1HG2 VAL 65 1HG2 VAL 65 6.357 -10.442 -4.675 516 2HG2 VAL 65 2HG2 VAL 65 5.376 -9.101 -4.140 517 3HG2 VAL 65 3HG2 VAL 65 7.050 -8.946 -4.458 518 H ASP 66 H ASP 66 7.390 -12.503 -0.548 519 HA ASP 66 HA ASP 66 7.604 -14.697 -2.333 520 1HB ASP 66 1HB ASP 66 7.530 -15.131 0.800 521 2HB ASP 66 2HB ASP 66 8.205 -16.187 -0.322 522 HD2 ASP 66 HD ASP 66 10.553 -13.179 0.777 523 H GLU 67 H GLU 67 5.024 -14.320 0.012 524 HA GLU 67 HA GLU 67 3.402 -16.546 -0.878 525 1HB GLU 67 1HB GLU 67 2.386 -13.831 0.421 526 2HB GLU 67 2HB GLU 67 1.472 -15.237 0.341 527 1HG GLU 67 1HG GLU 67 3.872 -14.691 2.080 528 2HG GLU 67 2HG GLU 67 2.282 -14.886 2.530 529 HE2 GLU 67 HE GLU 67 4.415 -18.064 2.563 530 H LEU 68 H LEU 68 3.605 -13.439 -2.399 531 HA LEU 68 HA LEU 68 1.532 -13.953 -4.363 532 1HB LEU 68 1HB LEU 68 1.351 -11.792 -2.235 533 2HB LEU 68 2HB LEU 68 0.344 -11.593 -3.701 534 HG LEU 68 HG LEU 68 0.124 -13.812 -1.531 535 1HD1 LEU 68 1HD1 LEU 68 -1.920 -12.315 -0.892 536 2HD1 LEU 68 2HD1 LEU 68 -0.338 -11.437 -0.841 537 3HD1 LEU 68 3HD1 LEU 68 -1.421 -11.167 -2.149 538 1HD2 LEU 68 1HD2 LEU 68 -0.791 -14.492 -3.916 539 2HD2 LEU 68 2HD2 LEU 68 -2.139 -14.187 -2.673 540 3HD2 LEU 68 3HD2 LEU 68 -1.712 -13.001 -4.071 541 H LYS 69 H LYS 69 3.693 -13.982 -5.067 542 HA LYS 69 HA LYS 69 5.118 -11.507 -6.091 543 1HB LYS 69 1HB LYS 69 6.441 -13.363 -7.341 544 2HB LYS 69 2HB LYS 69 6.599 -13.410 -5.511 545 1HG LYS 69 1HG LYS 69 5.259 -15.262 -5.183 546 2HG LYS 69 2HG LYS 69 4.773 -15.252 -6.790 547 1HD LYS 69 1HD LYS 69 6.792 -15.861 -7.847 548 2HD LYS 69 2HD LYS 69 7.711 -15.358 -6.364 549 1HE LYS 69 1HE LYS 69 6.965 -17.241 -5.104 550 2HE LYS 69 2HE LYS 69 5.990 -17.831 -6.532 551 1HZ LYS 69 1HZ LYS 69 8.616 -18.322 -5.961 552 2HZ LYS 69 2HZ LYS 69 7.675 -19.010 -6.913 553 H ALA 70 H ALA 70 3.107 -14.239 -7.507 554 HA ALA 70 HA ALA 70 3.139 -13.360 -10.275 555 1HB ALA 70 1HB ALA 70 1.179 -14.632 -10.694 556 2HB ALA 70 2HB ALA 70 2.135 -15.635 -9.561 557 3HB ALA 70 3HB ALA 70 0.807 -14.590 -8.914 558 H VAL 71 H VAL 71 0.240 -12.625 -8.187 559 HA VAL 71 HA VAL 71 -0.491 -10.300 -9.600 560 HB VAL 71 HB VAL 71 -1.940 -11.483 -8.109 561 1HG1 VAL 71 1HG1 VAL 71 -1.791 -11.025 -5.616 562 2HG1 VAL 71 2HG1 VAL 71 -0.292 -11.918 -6.304 563 3HG1 VAL 71 3HG1 VAL 71 -0.308 -10.185 -5.913 564 1HG2 VAL 71 1HG2 VAL 71 -3.096 -9.438 -7.059 565 2HG2 VAL 71 2HG2 VAL 71 -1.529 -8.554 -6.997 566 3HG2 VAL 71 3HG2 VAL 71 -2.369 -8.960 -8.642 567 H ALA 72 H ALA 72 1.912 -10.011 -6.884 568 HA ALA 72 HA ALA 72 2.248 -7.243 -6.849 569 1HB ALA 72 1HB ALA 72 4.275 -7.553 -5.775 570 2HB ALA 72 2HB ALA 72 3.218 -8.807 -5.337 571 3HB ALA 72 3HB ALA 72 4.548 -9.141 -6.457 572 H GLU 73 H GLU 73 3.740 -9.591 -8.857 573 HA GLU 73 HA GLU 73 5.280 -7.862 -10.744 574 1HB GLU 73 1HB GLU 73 4.207 -10.721 -11.016 575 2HB GLU 73 2HB GLU 73 4.997 -10.070 -12.368 576 1HG GLU 73 1HG GLU 73 7.037 -9.520 -10.924 577 2HG GLU 73 2HG GLU 73 6.240 -10.148 -9.485 578 HE2 GLU 73 HE GLU 73 6.419 -13.444 -10.505 579 H GLU 74 H GLU 74 2.017 -9.032 -10.870 580 HA GLU 74 HA GLU 74 1.368 -7.753 -13.387 581 1HB GLU 74 1HB GLU 74 -0.536 -8.371 -13.785 582 2HB GLU 74 2HB GLU 74 -0.012 -9.670 -12.832 583 1HG GLU 74 1HG GLU 74 -1.002 -8.463 -10.841 584 2HG GLU 74 2HG GLU 74 -1.921 -7.433 -11.971 585 HE2 GLU 74 HE GLU 74 -3.450 -8.195 -12.934 586 H TRP 75 H TRP 75 0.582 -6.368 -10.323 587 HA TRP 75 HA TRP 75 -0.566 -3.828 -11.216 588 1HB TRP 75 1HB TRP 75 1.043 -3.865 -8.550 589 2HB TRP 75 2HB TRP 75 -0.195 -2.779 -9.033 590 HD1 TRP 75 HD TRP 75 0.335 -5.544 -6.906 591 HE1 TRP 75 1HE TRP 75 -1.740 -7.008 -6.564 592 HE3 TRP 75 3HE TRP 75 -2.786 -3.426 -10.404 593 HZ2 TRP 75 2HZ TRP 75 -4.271 -7.209 -7.557 594 HZ3 TRP 75 3HZ TRP 75 -5.009 -4.309 -10.786 595 HH2 TRP 75 HH TRP 75 -5.756 -6.302 -9.326 596 H ASN 76 H ASN 76 2.585 -4.779 -10.451 597 HA ASN 76 HA ASN 76 4.257 -4.509 -12.206 598 1HB ASN 76 1HB ASN 76 3.414 -2.368 -13.353 599 2HB ASN 76 2HB ASN 76 4.018 -1.478 -12.048 600 1HD2 ASN 76 1HD2 ASN 76 6.316 -1.286 -12.054 601 2HD2 ASN 76 2HD2 ASN 76 7.236 -1.590 -13.706 602 H VAL 77 H VAL 77 5.152 -5.664 -10.406 603 HA VAL 77 HA VAL 77 7.258 -4.299 -8.952 604 HB VAL 77 HB VAL 77 5.643 -6.543 -7.812 605 1HG1 VAL 77 1HG1 VAL 77 7.268 -4.518 -6.135 606 2HG1 VAL 77 2HG1 VAL 77 6.434 -6.053 -5.723 607 3HG1 VAL 77 3HG1 VAL 77 7.868 -6.207 -6.907 608 1HG2 VAL 77 1HG2 VAL 77 5.166 -3.808 -6.590 609 2HG2 VAL 77 2HG2 VAL 77 4.030 -4.380 -7.820 610 3HG2 VAL 77 3HG2 VAL 77 4.194 -5.405 -6.482 611 H GLU 78 H GLU 78 8.372 -4.658 -10.668 612 HA GLU 78 HA GLU 78 9.844 -7.203 -10.792 613 1HB GLU 78 1HB GLU 78 11.716 -5.673 -11.925 614 2HB GLU 78 2HB GLU 78 10.198 -6.229 -12.818 615 1HG GLU 78 1HG GLU 78 10.890 -3.810 -13.319 616 2HG GLU 78 2HG GLU 78 9.118 -4.021 -12.718 617 HE2 GLU 78 HE GLU 78 12.183 -2.736 -12.096 618 H ALA 79 H ALA 79 9.786 -4.712 -8.482 619 HA ALA 79 HA ALA 79 12.468 -5.542 -7.338 620 1HB ALA 79 1HB ALA 79 13.351 -3.014 -7.307 621 2HB ALA 79 2HB ALA 79 13.031 -3.686 -8.998 622 3HB ALA 79 3HB ALA 79 12.034 -2.539 -8.303 623 H MET 80 H MET 80 12.732 -5.384 -5.266 624 HA MET 80 HA MET 80 10.589 -4.665 -3.356 625 1HB MET 80 1HB MET 80 13.400 -5.799 -3.253 626 2HB MET 80 2HB MET 80 12.743 -5.050 -1.933 627 1HG MET 80 1HG MET 80 12.275 -7.738 -2.117 628 2HG MET 80 2HG MET 80 10.940 -6.529 -1.740 629 1HE MET 80 1HE MET 80 8.861 -5.947 -4.102 630 2HE MET 80 2HE MET 80 8.296 -7.588 -3.649 631 3HE MET 80 3HE MET 80 8.935 -6.482 -2.502 632 HA PRO 81 HA PRO 81 9.709 -2.981 -3.386 633 1HB PRO 81 1HB PRO 81 9.136 -2.484 -0.900 634 2HB PRO 81 2HB PRO 81 10.556 -3.468 -1.211 635 1HG PRO 81 2HG PRO 81 10.817 -0.646 -0.381 636 2HG PRO 81 1HG PRO 81 11.676 -2.142 0.054 637 1HD PRO 81 1HD PRO 81 11.888 -0.044 -2.272 638 2HD PRO 81 2HD PRO 81 13.131 -1.087 -1.704 639 H THR 82 H THR 82 7.870 -2.449 -3.386 640 HA THR 82 HA THR 82 7.421 0.223 -4.469 641 HB THR 82 HB THR 82 6.623 -2.563 -5.372 642 HG1 THR 82 1HG THR 82 8.582 -2.533 -5.756 643 1HG2 THR 82 1HG2 THR 82 4.995 -0.778 -6.450 644 2HG2 THR 82 2HG2 THR 82 6.671 0.161 -6.891 645 3HG2 THR 82 3HG2 THR 82 6.317 -1.325 -7.654 646 H PHE 83 H PHE 83 5.849 1.301 -3.946 647 HA PHE 83 HA PHE 83 3.642 0.457 -2.180 648 1HB PHE 83 1HB PHE 83 4.597 3.375 -2.820 649 2HB PHE 83 2HB PHE 83 3.244 2.792 -1.744 650 HD1 PHE 83 1HD PHE 83 7.134 3.054 -1.885 651 HD2 PHE 83 2HD PHE 83 3.810 1.805 0.451 652 HE1 PHE 83 1HE PHE 83 8.509 3.120 -0.028 653 HE2 PHE 83 2HE PHE 83 5.313 1.907 2.439 654 HZ PHE 83 HZ PHE 83 7.611 2.295 2.134 655 H ILE 84 H ILE 84 2.061 0.056 -3.853 656 HA ILE 84 HA ILE 84 1.666 1.894 -5.967 657 HB ILE 84 HB ILE 84 0.932 -1.091 -5.248 658 1HG1 ILE 84 1HG1 ILE 84 0.948 -0.805 -8.247 659 2HG1 ILE 84 2HG1 ILE 84 2.144 0.293 -7.440 660 1HG2 ILE 84 1HG2 ILE 84 -1.189 0.186 -7.047 661 2HG2 ILE 84 2HG2 ILE 84 -0.794 -1.500 -6.963 662 3HG2 ILE 84 3HG2 ILE 84 -1.494 -0.661 -5.548 663 1HD1 ILE 84 1HD1 ILE 84 3.015 -1.651 -6.084 664 2HD1 ILE 84 2HD1 ILE 84 2.064 -2.708 -7.154 665 3HD1 ILE 84 3HD1 ILE 84 3.301 -1.511 -7.912 666 H PHE 85 H PHE 85 -0.373 2.712 -6.519 667 HA PHE 85 HA PHE 85 -2.077 3.599 -4.201 668 1HB PHE 85 1HB PHE 85 -0.757 5.328 -6.489 669 2HB PHE 85 2HB PHE 85 -1.970 6.139 -5.471 670 HD1 PHE 85 1HD PHE 85 1.487 4.595 -4.973 671 HD2 PHE 85 2HD PHE 85 -1.544 7.183 -3.516 672 HE1 PHE 85 1HE PHE 85 2.895 5.265 -3.170 673 HE2 PHE 85 2HE PHE 85 -0.187 7.940 -1.783 674 HZ PHE 85 HZ PHE 85 2.119 6.843 -1.351 675 H LEU 86 H LEU 86 -4.056 3.348 -4.629 676 HA LEU 86 HA LEU 86 -5.113 2.675 -7.293 677 1HB LEU 86 1HB LEU 86 -3.997 0.441 -5.851 678 2HB LEU 86 2HB LEU 86 -5.456 0.644 -5.103 679 HG LEU 86 HG LEU 86 -5.639 -1.038 -6.271 680 1HD1 LEU 86 1HD1 LEU 86 -7.766 -0.832 -7.185 681 2HD1 LEU 86 2HD1 LEU 86 -7.674 0.633 -6.155 682 3HD1 LEU 86 3HD1 LEU 86 -7.358 0.782 -7.942 683 1HD2 LEU 86 1HD2 LEU 86 -5.393 -1.076 -8.881 684 2HD2 LEU 86 2HD2 LEU 86 -5.085 0.596 -8.853 685 3HD2 LEU 86 3HD2 LEU 86 -3.899 -0.555 -8.051 686 H LYS 87 H LYS 87 -6.931 3.759 -7.156 687 HA LYS 87 HA LYS 87 -8.732 4.216 -4.886 688 1HB LYS 87 1HB LYS 87 -7.228 6.189 -5.702 689 2HB LYS 87 2HB LYS 87 -8.005 6.159 -7.292 690 1HG LYS 87 1HG LYS 87 -10.222 7.028 -6.113 691 2HG LYS 87 2HG LYS 87 -9.353 6.909 -4.784 692 1HD LYS 87 1HD LYS 87 -7.808 8.754 -5.306 693 2HD LYS 87 2HD LYS 87 -8.410 8.746 -7.008 694 1HE LYS 87 1HE LYS 87 -10.712 9.279 -6.153 695 2HE LYS 87 2HE LYS 87 -10.039 9.492 -4.544 696 1HZ LYS 87 1HZ LYS 87 -9.975 11.105 -6.988 697 2HZ LYS 87 2HZ LYS 87 -9.987 11.666 -5.533 698 H ASP 88 H ASP 88 -10.993 4.733 -5.569 699 HA ASP 88 HA ASP 88 -12.045 3.160 -7.725 700 1HB ASP 88 1HB ASP 88 -14.214 4.624 -7.271 701 2HB ASP 88 2HB ASP 88 -13.279 4.312 -5.737 702 HD2 ASP 88 HD ASP 88 -12.460 7.531 -5.044 703 H GLY 89 H GLY 89 -9.895 4.231 -8.950 704 1HA GLY 89 1HA GLY 89 -11.085 4.997 -11.506 705 2HA GLY 89 2HA GLY 89 -9.901 6.136 -10.745 706 H LYS 90 H LYS 90 -9.603 2.680 -10.323 707 HA LYS 90 HA LYS 90 -8.181 1.134 -10.765 708 1HB LYS 90 1HB LYS 90 -7.716 2.369 -13.525 709 2HB LYS 90 2HB LYS 90 -6.912 0.877 -13.047 710 1HG LYS 90 1HG LYS 90 -9.085 -0.242 -12.532 711 2HG LYS 90 2HG LYS 90 -9.991 1.195 -13.011 712 1HD LYS 90 1HD LYS 90 -8.171 -0.449 -14.869 713 2HD LYS 90 2HD LYS 90 -9.901 -0.706 -14.511 714 1HE LYS 90 1HE LYS 90 -10.497 1.490 -15.614 715 2HE LYS 90 2HE LYS 90 -8.863 1.930 -15.783 716 1HZ LYS 90 1HZ LYS 90 -10.312 0.010 -17.399 717 2HZ LYS 90 2HZ LYS 90 -8.698 -0.301 -16.979 718 H LEU 91 H LEU 91 -5.445 1.125 -11.626 719 HA LEU 91 HA LEU 91 -3.955 2.301 -9.632 720 1HB LEU 91 1HB LEU 91 -3.471 0.397 -11.072 721 2HB LEU 91 2HB LEU 91 -3.389 1.320 -12.570 722 HG LEU 91 HG LEU 91 -1.343 2.350 -11.742 723 1HD1 LEU 91 1HD1 LEU 91 -1.617 2.167 -9.246 724 2HD1 LEU 91 2HD1 LEU 91 -1.509 0.379 -9.267 725 3HD1 LEU 91 3HD1 LEU 91 -0.036 1.563 -9.673 726 1HD2 LEU 91 1HD2 LEU 91 0.179 0.204 -12.010 727 2HD2 LEU 91 2HD2 LEU 91 -1.268 -0.732 -11.649 728 3HD2 LEU 91 3HD2 LEU 91 -1.253 0.209 -13.165 729 H VAL 92 H VAL 92 -4.395 4.598 -9.445 730 HA VAL 92 HA VAL 92 -3.543 6.696 -11.250 731 HB VAL 92 HB VAL 92 -3.863 8.002 -8.800 732 1HG1 VAL 92 1HG1 VAL 92 -6.285 6.539 -9.651 733 2HG1 VAL 92 2HG1 VAL 92 -6.231 8.098 -9.070 734 3HG1 VAL 92 3HG1 VAL 92 -5.702 7.646 -10.744 735 1HG2 VAL 92 1HG2 VAL 92 -4.932 5.473 -7.613 736 2HG2 VAL 92 2HG2 VAL 92 -3.337 6.190 -7.276 737 3HG2 VAL 92 3HG2 VAL 92 -4.941 7.154 -7.104 738 H ASP 93 H ASP 93 -1.568 5.019 -9.025 739 HA ASP 93 HA ASP 93 0.845 6.548 -10.072 740 1HB ASP 93 1HB ASP 93 -0.111 8.248 -8.590 741 2HB ASP 93 2HB ASP 93 -0.097 7.090 -7.221 742 HD2 ASP 93 HD ASP 93 1.629 8.745 -9.671 743 H LYS 94 H LYS 94 2.740 5.712 -9.258 744 HA LYS 94 HA LYS 94 2.975 3.454 -7.337 745 1HB LYS 94 1HB LYS 94 4.193 1.959 -8.846 746 2HB LYS 94 2HB LYS 94 2.500 2.163 -9.193 747 1HG LYS 94 1HG LYS 94 3.302 3.914 -11.033 748 2HG LYS 94 2HG LYS 94 4.770 3.036 -10.883 749 1HD LYS 94 1HD LYS 94 3.719 0.849 -11.266 750 2HD LYS 94 2HD LYS 94 2.066 1.460 -11.241 751 1HE LYS 94 1HE LYS 94 4.499 1.930 -13.222 752 2HE LYS 94 2HE LYS 94 3.148 0.839 -13.584 753 1HZ LYS 94 1HZ LYS 94 3.128 3.868 -13.320 754 2HZ LYS 94 2HZ LYS 94 1.687 2.977 -13.211 755 H THR 95 H THR 95 5.180 3.144 -6.575 756 HA THR 95 HA THR 95 7.403 4.769 -7.278 757 HB THR 95 HB THR 95 6.020 5.537 -4.655 758 HG1 THR 95 1HG THR 95 5.740 6.503 -7.064 759 1HG2 THR 95 1HG2 THR 95 8.456 5.811 -4.386 760 2HG2 THR 95 2HG2 THR 95 8.780 6.327 -5.994 761 3HG2 THR 95 3HG2 THR 95 7.895 7.495 -4.841 762 H VAL 96 H VAL 96 9.214 4.020 -6.290 763 HA VAL 96 HA VAL 96 8.948 1.709 -4.346 764 HB VAL 96 HB VAL 96 8.968 0.741 -6.449 765 1HG1 VAL 96 1HG1 VAL 96 11.293 2.467 -7.518 766 2HG1 VAL 96 2HG1 VAL 96 10.546 1.238 -8.513 767 3HG1 VAL 96 3HG1 VAL 96 9.653 2.692 -8.041 768 1HG2 VAL 96 1HG2 VAL 96 10.481 -0.723 -5.539 769 2HG2 VAL 96 2HG2 VAL 96 11.279 -0.589 -7.129 770 3HG2 VAL 96 3HG2 VAL 96 11.861 0.185 -5.744 771 H GLY 97 H GLY 97 10.012 2.385 -2.801 772 1HA GLY 97 1HA GLY 97 12.912 2.973 -2.592 773 2HA GLY 97 2HA GLY 97 11.961 4.487 -2.347 774 H ALA 98 H ALA 98 12.765 4.582 -0.082 775 HA ALA 98 HA ALA 98 11.075 3.424 1.966 776 1HB ALA 98 1HB ALA 98 13.854 2.212 1.802 777 2HB ALA 98 2HB ALA 98 12.862 2.166 3.323 778 3HB ALA 98 3HB ALA 98 12.232 1.401 1.884 779 H ASP 99 H ASP 99 10.901 5.417 2.909 780 HA ASP 99 HA ASP 99 13.212 6.596 4.401 781 1HB ASP 99 1HB ASP 99 13.604 7.431 1.917 782 2HB ASP 99 2HB ASP 99 12.125 8.434 2.038 783 HD2 ASP 99 HD ASP 99 13.227 11.028 3.368 784 H LYS 100 H LYS 100 12.455 7.761 6.235 785 HA LYS 100 HA LYS 100 9.837 7.778 7.031 786 1HB LYS 100 1HB LYS 100 10.306 9.090 8.933 787 2HB LYS 100 2HB LYS 100 11.518 7.820 8.530 788 1HG LYS 100 1HG LYS 100 12.880 9.603 7.318 789 2HG LYS 100 2HG LYS 100 11.914 10.823 7.917 790 1HD LYS 100 1HD LYS 100 12.558 10.159 10.333 791 2HD LYS 100 2HD LYS 100 13.628 8.910 9.731 792 1HE LYS 100 1HE LYS 100 15.219 10.539 8.614 793 2HE LYS 100 2HE LYS 100 14.091 11.800 8.790 794 1HZ LYS 100 1HZ LYS 100 15.283 10.357 11.039 795 2HZ LYS 100 2HZ LYS 100 15.562 11.962 10.680 796 H ASP 101 H ASP 101 11.207 10.706 5.960 797 HA ASP 101 HA ASP 101 8.761 12.330 5.556 798 1HB ASP 101 1HB ASP 101 9.910 14.204 5.002 799 2HB ASP 101 2HB ASP 101 10.678 13.490 6.335 800 HD2 ASP 101 HD ASP 101 12.758 14.749 3.631 801 H GLY 102 H GLY 102 10.558 10.265 3.319 802 1HA GLY 102 1HA GLY 102 9.555 11.153 0.759 803 2HA GLY 102 2HA GLY 102 9.923 9.478 1.199 804 H LEU 103 H LEU 103 8.191 8.299 2.407 805 HA LEU 103 HA LEU 103 5.804 8.083 0.919 806 1HB LEU 103 1HB LEU 103 6.787 6.245 1.947 807 2HB LEU 103 2HB LEU 103 6.916 7.057 3.505 808 HG LEU 103 HG LEU 103 4.325 6.905 3.815 809 1HD1 LEU 103 1HD1 LEU 103 3.142 5.378 2.247 810 2HD1 LEU 103 2HD1 LEU 103 3.689 6.828 1.379 811 3HD1 LEU 103 3HD1 LEU 103 4.512 5.210 1.212 812 1HD2 LEU 103 1HD2 LEU 103 4.240 4.508 4.222 813 2HD2 LEU 103 2HD2 LEU 103 5.818 4.232 3.371 814 3HD2 LEU 103 3HD2 LEU 103 5.712 5.144 4.845 815 HA PRO 104 HA PRO 104 3.079 10.602 4.142 816 1HB PRO 104 1HB PRO 104 5.245 12.490 5.188 817 2HB PRO 104 2HB PRO 104 3.754 11.916 5.875 818 1HG PRO 104 1HG PRO 104 6.221 10.718 6.597 819 2HG PRO 104 2HG PRO 104 4.776 9.878 6.681 820 1HD PRO 104 1HD PRO 104 6.897 9.989 4.429 821 2HD PRO 104 2HD PRO 104 5.792 8.610 5.114 822 H THR 105 H THR 105 5.839 12.057 2.440 823 HA THR 105 HA THR 105 4.320 14.509 1.584 824 HB THR 105 HB THR 105 7.063 13.411 0.719 825 HG1 THR 105 1HG THR 105 6.363 15.784 2.172 826 1HG2 THR 105 1HG2 THR 105 6.183 14.818 -1.137 827 2HG2 THR 105 2HG2 THR 105 5.859 16.202 -0.142 828 3HG2 THR 105 3HG2 THR 105 7.487 15.668 -0.292 829 H LEU 106 H LEU 106 5.119 11.546 -0.219 830 HA LEU 106 HA LEU 106 3.686 12.069 -2.645 831 1HB LEU 106 1HB LEU 106 5.464 10.450 -2.298 832 2HB LEU 106 2HB LEU 106 4.663 9.490 -1.156 833 HG LEU 106 HG LEU 106 2.906 8.924 -3.137 834 1HD1 LEU 106 1HD1 LEU 106 3.663 9.139 -5.469 835 2HD1 LEU 106 2HD1 LEU 106 3.128 10.663 -4.892 836 3HD1 LEU 106 3HD1 LEU 106 4.924 10.169 -5.004 837 1HD2 LEU 106 1HD2 LEU 106 4.257 7.168 -4.008 838 2HD2 LEU 106 2HD2 LEU 106 5.862 8.044 -3.784 839 3HD2 LEU 106 3HD2 LEU 106 4.968 7.498 -2.415 840 H VAL 107 H VAL 107 2.653 10.126 0.233 841 HA VAL 107 HA VAL 107 -0.150 9.709 -0.514 842 HB VAL 107 HB VAL 107 1.074 9.586 2.144 843 1HG1 VAL 107 1HG1 VAL 107 -1.454 9.990 2.690 844 2HG1 VAL 107 2HG1 VAL 107 -1.863 8.740 1.638 845 3HG1 VAL 107 3HG1 VAL 107 -0.953 8.482 3.083 846 1HG2 VAL 107 1HG2 VAL 107 0.627 7.175 1.924 847 2HG2 VAL 107 2HG2 VAL 107 -0.027 7.392 0.328 848 3HG2 VAL 107 3HG2 VAL 107 1.720 7.776 0.603 849 H ALA 108 H ALA 108 1.102 12.157 1.627 850 HA ALA 108 HA ALA 108 -1.189 13.705 1.902 851 1HB ALA 108 1HB ALA 108 0.206 15.784 2.109 852 2HB ALA 108 2HB ALA 108 1.046 14.418 2.901 853 3HB ALA 108 3HB ALA 108 1.544 14.825 1.351 854 H LYS 109 H LYS 109 0.998 14.154 -0.886 855 HA LYS 109 HA LYS 109 -0.689 15.911 -2.430 856 1HB LYS 109 1HB LYS 109 1.114 13.645 -3.519 857 2HB LYS 109 2HB LYS 109 0.319 14.743 -4.561 858 1HG LYS 109 1HG LYS 109 1.711 16.677 -3.671 859 2HG LYS 109 2HG LYS 109 2.107 15.849 -2.282 860 1HD LYS 109 1HD LYS 109 3.606 14.163 -3.440 861 2HD LYS 109 2HD LYS 109 3.140 14.944 -4.938 862 1HE LYS 109 1HE LYS 109 4.200 17.001 -4.476 863 2HE LYS 109 2HE LYS 109 4.478 16.362 -2.659 864 1HZ LYS 109 1HZ LYS 109 5.716 15.494 -5.205 865 2HZ LYS 109 2HZ LYS 109 6.495 16.383 -4.170 866 H HIS 110 H HIS 110 -0.771 12.267 -2.322 867 HA HIS 110 HA HIS 110 -2.956 11.921 -4.246 868 1HB HIS 110 1HB HIS 110 -1.510 9.976 -2.350 869 2HB HIS 110 2HB HIS 110 -3.021 9.650 -3.006 870 HD1 HIS 110 1HD HIS 110 -3.325 9.422 -5.852 871 HD2 HIS 110 2HD HIS 110 0.463 10.982 -4.261 872 HE1 HIS 110 1HE HIS 110 -1.654 9.681 -7.644 873 H ALA 111 H ALA 111 -3.109 11.237 -0.793 874 HA ALA 111 HA ALA 111 -5.967 11.082 -0.478 875 1HB ALA 111 1HB ALA 111 -5.185 10.830 1.977 876 2HB ALA 111 2HB ALA 111 -4.207 9.952 0.859 877 3HB ALA 111 3HB ALA 111 -3.639 11.358 1.547 878 H THR 112 H THR 112 -4.097 13.979 -0.023 879 HA THR 112 HA THR 112 -6.122 15.538 1.498 880 HB THR 112 HB THR 112 -3.804 16.827 -0.005 881 HG1 THR 112 1HG THR 112 -2.769 16.646 2.036 882 1HG2 THR 112 1HG2 THR 112 -5.442 18.471 0.601 883 2HG2 THR 112 2HG2 THR 112 -5.528 17.883 2.340 884 3HG2 THR 112 3HG2 THR 112 -4.067 18.681 1.680 885 H ALA 113 H ALA 113 -5.203 15.848 -1.883 886 HA ALA 113 HA ALA 113 -7.715 17.278 -2.686 887 1HB ALA 113 1HB ALA 113 -5.858 15.678 -4.605 888 2HB ALA 113 2HB ALA 113 -6.826 17.124 -5.006 889 3HB ALA 113 3HB ALA 113 -5.345 17.243 -4.011 890 HXT ALA 113 HO ALA 113 -8.141 13.310 -3.347 Start of MODEL 8 1 1H ALA 1 1H ALA 1 -11.470 9.553 18.181 2 2H ALA 1 2H ALA 1 -12.531 9.845 16.901 3 HA ALA 1 HA ALA 1 -10.007 8.588 16.897 4 1HB ALA 1 1HB ALA 1 -10.668 6.333 15.985 5 2HB ALA 1 2HB ALA 1 -11.009 6.571 17.622 6 3HB ALA 1 3HB ALA 1 -12.368 6.571 16.528 7 H GLU 2 H GLU 2 -9.063 8.606 14.906 8 HA GLU 2 HA GLU 2 -10.599 9.277 12.411 9 1HB GLU 2 1HB GLU 2 -10.735 11.379 13.995 10 2HB GLU 2 2HB GLU 2 -8.949 11.387 13.966 11 1HG GLU 2 1HG GLU 2 -9.121 12.065 11.428 12 2HG GLU 2 2HG GLU 2 -10.850 11.681 11.529 13 HE2 GLU 2 HE GLU 2 -9.396 14.922 13.359 14 H GLU 3 H GLU 3 -9.573 7.756 11.285 15 HA GLU 3 HA GLU 3 -6.795 7.982 10.532 16 1HB GLU 3 1HB GLU 3 -5.704 6.116 11.485 17 2HB GLU 3 2HB GLU 3 -6.141 7.270 12.682 18 1HG GLU 3 1HG GLU 3 -8.010 5.781 13.265 19 2HG GLU 3 2HG GLU 3 -7.656 4.611 12.022 20 HE2 GLU 3 HE GLU 3 -6.005 4.039 15.480 21 H GLY 4 H GLY 4 -5.880 6.309 9.408 22 1HA GLY 4 1HA GLY 4 -7.546 4.320 7.753 23 2HA GLY 4 2HA GLY 4 -6.032 4.887 7.418 24 H GLN 5 H GLN 5 -6.185 2.318 7.595 25 HA GLN 5 HA GLN 5 -4.586 1.444 10.053 26 1HB GLN 5 1HB GLN 5 -5.981 -0.399 10.372 27 2HB GLN 5 2HB GLN 5 -6.876 1.182 10.563 28 1HG GLN 5 1HG GLN 5 -7.570 0.495 8.024 29 2HG GLN 5 2HG GLN 5 -7.172 -1.116 8.534 30 1HE2 GLN 5 1HE2 GLN 5 -8.111 -1.624 10.931 31 2HE2 GLN 5 2HE2 GLN 5 -9.900 -1.321 10.932 32 H VAL 6 H VAL 6 -3.554 -0.353 9.761 33 HA VAL 6 HA VAL 6 -2.473 -1.268 7.141 34 HB VAL 6 HB VAL 6 -1.230 -0.825 9.731 35 1HG1 VAL 6 1HG1 VAL 6 0.967 -1.374 8.709 36 2HG1 VAL 6 2HG1 VAL 6 -0.218 -2.845 8.691 37 3HG1 VAL 6 3HG1 VAL 6 0.068 -1.820 7.315 38 1HG2 VAL 6 1HG2 VAL 6 -0.918 0.554 7.003 39 2HG2 VAL 6 2HG2 VAL 6 -1.713 1.279 8.333 40 3HG2 VAL 6 3HG2 VAL 6 0.068 1.014 8.458 41 H ILE 7 H ILE 7 -2.863 -3.159 6.672 42 HA ILE 7 HA ILE 7 -3.511 -5.430 8.543 43 HB ILE 7 HB ILE 7 -5.409 -4.199 7.543 44 1HG1 ILE 7 1HG1 ILE 7 -6.018 -6.198 8.555 45 2HG1 ILE 7 2HG1 ILE 7 -6.942 -5.955 7.029 46 1HG2 ILE 7 1HG2 ILE 7 -4.535 -4.008 5.114 47 2HG2 ILE 7 2HG2 ILE 7 -4.929 -5.631 4.872 48 3HG2 ILE 7 3HG2 ILE 7 -6.153 -4.447 5.318 49 1HD1 ILE 7 1HD1 ILE 7 -4.550 -7.883 7.571 50 2HD1 ILE 7 2HD1 ILE 7 -6.271 -8.357 7.605 51 3HD1 ILE 7 3HD1 ILE 7 -5.404 -7.753 6.140 52 H ALA 8 H ALA 8 -1.953 -6.779 8.352 53 HA ALA 8 HA ALA 8 -0.395 -7.526 6.083 54 1HB ALA 8 1HB ALA 8 0.298 -9.502 7.471 55 2HB ALA 8 2HB ALA 8 0.147 -8.066 8.450 56 3HB ALA 8 3HB ALA 8 -1.111 -9.339 8.438 57 H CYS 9 H CYS 9 -0.313 -8.880 4.677 58 HA CYS 9 HA CYS 9 -2.643 -10.631 3.832 59 1HB CYS 9 1HB CYS 9 -1.370 -8.173 2.348 60 2HB CYS 9 2HB CYS 9 -2.394 -9.405 1.453 61 HG CYS 9 HG CYS 9 -3.090 -6.838 3.123 62 H HIS 10 H HIS 10 -2.189 -12.256 2.977 63 HA HIS 10 HA HIS 10 0.559 -13.036 2.002 64 1HB HIS 10 1HB HIS 10 -0.979 -14.284 4.322 65 2HB HIS 10 2HB HIS 10 0.304 -15.098 3.476 66 HD1 HIS 10 1HD HIS 10 2.884 -13.479 3.725 67 HD2 HIS 10 2HD HIS 10 -0.393 -12.801 6.401 68 HE1 HIS 10 1HE HIS 10 3.475 -11.820 5.593 69 H THR 11 H THR 11 -2.717 -13.303 1.199 70 HA THR 11 HA THR 11 -2.470 -15.893 -0.329 71 HB THR 11 HB THR 11 -4.442 -16.763 0.878 72 HG1 THR 11 1HG THR 11 -4.860 -15.402 2.919 73 1HG2 THR 11 1HG2 THR 11 -2.399 -17.472 1.983 74 2HG2 THR 11 2HG2 THR 11 -2.498 -16.048 3.058 75 3HG2 THR 11 3HG2 THR 11 -3.718 -17.231 3.180 76 H VAL 12 H VAL 12 -4.970 -16.342 -1.069 77 HA VAL 12 HA VAL 12 -5.928 -14.113 -2.826 78 HB VAL 12 HB VAL 12 -6.197 -16.301 -3.547 79 1HG1 VAL 12 1HG1 VAL 12 -8.187 -16.800 -1.125 80 2HG1 VAL 12 2HG1 VAL 12 -7.902 -17.971 -2.533 81 3HG1 VAL 12 3HG1 VAL 12 -6.642 -17.623 -1.358 82 1HG2 VAL 12 1HG2 VAL 12 -7.784 -14.807 -4.500 83 2HG2 VAL 12 2HG2 VAL 12 -8.574 -16.376 -4.341 84 3HG2 VAL 12 3HG2 VAL 12 -8.974 -15.100 -3.194 85 H ASP 13 H ASP 13 -6.261 -14.467 0.472 86 HA ASP 13 HA ASP 13 -8.733 -12.984 0.905 87 1HB ASP 13 1HB ASP 13 -6.219 -12.891 2.719 88 2HB ASP 13 2HB ASP 13 -7.593 -12.070 3.092 89 HD2 ASP 13 HD ASP 13 -6.656 -13.520 4.574 90 H THR 14 H THR 14 -5.745 -11.701 0.104 91 HA THR 14 HA THR 14 -6.616 -8.865 0.152 92 HB THR 14 HB THR 14 -4.209 -9.169 0.591 93 HG1 THR 14 1HG THR 14 -4.166 -7.727 -1.666 94 1HG2 THR 14 1HG2 THR 14 -3.853 -10.871 -1.139 95 2HG2 THR 14 2HG2 THR 14 -3.860 -9.671 -2.472 96 3HG2 THR 14 3HG2 THR 14 -2.600 -9.562 -1.119 97 H TRP 15 H TRP 15 -6.473 -11.354 -2.253 98 HA TRP 15 HA TRP 15 -7.242 -9.649 -4.459 99 1HB TRP 15 1HB TRP 15 -7.224 -12.684 -4.036 100 2HB TRP 15 2HB TRP 15 -8.502 -12.107 -5.152 101 HD1 TRP 15 HD TRP 15 -4.887 -12.814 -4.945 102 HE1 TRP 15 1HE TRP 15 -3.617 -12.383 -7.118 103 HE3 TRP 15 3HE TRP 15 -8.471 -10.115 -6.961 104 HZ2 TRP 15 2HZ TRP 15 -4.273 -11.019 -9.553 105 HZ3 TRP 15 3HZ TRP 15 -7.943 -8.850 -9.179 106 HH2 TRP 15 HH TRP 15 -5.872 -9.453 -10.457 107 H LYS 16 H LYS 16 -9.341 -11.049 -1.989 108 HA LYS 16 HA LYS 16 -11.806 -9.717 -2.939 109 1HB LYS 16 1HB LYS 16 -10.988 -10.619 -0.060 110 2HB LYS 16 2HB LYS 16 -12.554 -9.884 -0.468 111 1HG LYS 16 1HG LYS 16 -12.925 -11.746 -2.210 112 2HG LYS 16 2HG LYS 16 -11.593 -12.582 -1.590 113 1HD LYS 16 1HD LYS 16 -13.945 -11.813 0.210 114 2HD LYS 16 2HD LYS 16 -13.835 -13.317 -0.546 115 1HE LYS 16 1HE LYS 16 -11.764 -13.779 0.836 116 2HE LYS 16 2HE LYS 16 -11.735 -12.120 1.454 117 1HZ LYS 16 1HZ LYS 16 -12.605 -13.306 3.167 118 2HZ LYS 16 2HZ LYS 16 -13.945 -12.756 2.422 119 H GLU 17 H GLU 17 -9.179 -8.714 -0.601 120 HA GLU 17 HA GLU 17 -10.428 -6.311 0.148 121 1HB GLU 17 1HB GLU 17 -7.437 -6.910 0.667 122 2HB GLU 17 2HB GLU 17 -8.428 -5.764 1.440 123 1HG GLU 17 1HG GLU 17 -10.028 -7.416 2.479 124 2HG GLU 17 2HG GLU 17 -9.172 -8.545 1.702 125 HE2 GLU 17 HE GLU 17 -6.972 -6.761 4.594 126 H HIS 18 H HIS 18 -7.453 -6.621 -1.781 127 HA HIS 18 HA HIS 18 -7.068 -3.844 -2.282 128 1HB HIS 18 1HB HIS 18 -5.304 -5.597 -2.399 129 2HB HIS 18 2HB HIS 18 -6.032 -6.381 -3.657 130 HD1 HIS 18 1HD HIS 18 -6.213 -4.785 -6.130 131 HD2 HIS 18 2HD HIS 18 -4.014 -3.134 -2.928 132 HE1 HIS 18 1HE HIS 18 -4.356 -3.332 -7.043 133 H PHE 19 H PHE 19 -8.338 -6.195 -4.427 134 HA PHE 19 HA PHE 19 -9.174 -4.440 -6.507 135 1HB PHE 19 1HB PHE 19 -8.781 -7.017 -6.648 136 2HB PHE 19 2HB PHE 19 -10.493 -7.241 -6.324 137 HD1 PHE 19 1HD PHE 19 -12.072 -6.721 -8.306 138 HD2 PHE 19 2HD PHE 19 -7.928 -5.779 -8.609 139 HE1 PHE 19 1HE PHE 19 -12.138 -6.483 -10.789 140 HE2 PHE 19 2HE PHE 19 -8.146 -5.625 -11.050 141 HZ PHE 19 HZ PHE 19 -10.302 -6.115 -12.156 142 H GLU 20 H GLU 20 -11.116 -5.615 -3.993 143 HA GLU 20 HA GLU 20 -13.711 -4.432 -4.868 144 1HB GLU 20 1HB GLU 20 -13.252 -5.735 -2.109 145 2HB GLU 20 2HB GLU 20 -14.747 -5.130 -2.668 146 1HG GLU 20 1HG GLU 20 -13.225 -7.356 -4.151 147 2HG GLU 20 2HG GLU 20 -14.486 -7.711 -2.930 148 HE2 GLU 20 HE GLU 20 -15.440 -7.658 -6.663 149 H LYS 21 H LYS 21 -11.620 -3.449 -1.933 150 HA LYS 21 HA LYS 21 -12.884 -1.076 -1.281 151 1HB LYS 21 1HB LYS 21 -10.028 -1.687 -1.248 152 2HB LYS 21 2HB LYS 21 -10.735 -0.318 -0.542 153 1HG LYS 21 1HG LYS 21 -11.759 -3.136 0.297 154 2HG LYS 21 2HG LYS 21 -10.321 -2.421 1.111 155 1HD LYS 21 1HD LYS 21 -11.832 -0.490 1.753 156 2HD LYS 21 2HD LYS 21 -13.122 -1.259 1.028 157 1HE LYS 21 1HE LYS 21 -13.289 -1.636 3.394 158 2HE LYS 21 2HE LYS 21 -13.081 -3.233 2.519 159 1HZ LYS 21 1HZ LYS 21 -10.868 -1.742 4.310 160 2HZ LYS 21 2HZ LYS 21 -11.650 -3.232 4.585 161 H GLY 22 H GLY 22 -10.333 -1.701 -3.610 162 1HA GLY 22 1HA GLY 22 -9.452 0.852 -4.646 163 2HA GLY 22 2HA GLY 22 -9.320 -0.646 -5.387 164 H LYS 23 H LYS 23 -10.823 -1.257 -6.881 165 HA LYS 23 HA LYS 23 -12.884 0.667 -8.032 166 1HB LYS 23 1HB LYS 23 -11.400 -0.683 -9.439 167 2HB LYS 23 2HB LYS 23 -12.085 -2.155 -8.926 168 1HG LYS 23 1HG LYS 23 -14.243 -0.273 -9.820 169 2HG LYS 23 2HG LYS 23 -13.196 -0.580 -11.090 170 1HD LYS 23 1HD LYS 23 -14.537 -2.898 -9.458 171 2HD LYS 23 2HD LYS 23 -15.279 -2.158 -10.744 172 1HE LYS 23 1HE LYS 23 -12.461 -3.414 -10.965 173 2HE LYS 23 2HE LYS 23 -13.964 -4.285 -11.278 174 1HZ LYS 23 1HZ LYS 23 -13.338 -1.822 -12.785 175 2HZ LYS 23 2HZ LYS 23 -12.733 -3.258 -13.300 176 H GLY 24 H GLY 24 -14.349 0.818 -6.653 177 1HA GLY 24 1HA GLY 24 -16.632 -0.641 -6.679 178 2HA GLY 24 2HA GLY 24 -15.862 -1.432 -5.313 179 H SER 25 H SER 25 -14.575 0.811 -4.375 180 HA SER 25 HA SER 25 -16.633 1.942 -2.502 181 1HB SER 25 1HB SER 25 -13.886 1.205 -1.381 182 2HB SER 25 2HB SER 25 -15.316 1.653 -0.560 183 HG SER 25 HG SER 25 -16.264 -0.185 -1.750 184 H GLN 26 H GLN 26 -16.578 3.895 -2.628 185 HA GLN 26 HA GLN 26 -14.656 5.726 -3.861 186 1HB GLN 26 1HB GLN 26 -16.907 6.664 -1.961 187 2HB GLN 26 2HB GLN 26 -15.813 7.733 -2.856 188 1HG GLN 26 1HG GLN 26 -17.849 7.777 -4.204 189 2HG GLN 26 2HG GLN 26 -16.488 7.140 -5.073 190 1HE2 GLN 26 1HE2 GLN 26 -17.268 5.814 -6.414 191 2HE2 GLN 26 2HE2 GLN 26 -18.412 4.418 -6.031 192 H LYS 27 H LYS 27 -12.836 4.817 -2.691 193 HA LYS 27 HA LYS 27 -11.909 6.788 -0.642 194 1HB LYS 27 1HB LYS 27 -11.433 5.395 0.961 195 2HB LYS 27 2HB LYS 27 -13.009 5.066 0.773 196 1HG LYS 27 1HG LYS 27 -12.040 2.948 -0.555 197 2HG LYS 27 2HG LYS 27 -10.480 3.400 -0.179 198 1HD LYS 27 1HD LYS 27 -11.234 1.654 1.226 199 2HD LYS 27 2HD LYS 27 -10.644 2.943 2.253 200 1HE LYS 27 1HE LYS 27 -13.828 2.663 1.696 201 2HE LYS 27 2HE LYS 27 -12.892 1.360 2.566 202 1HZ LYS 27 1HZ LYS 27 -12.033 3.105 3.932 203 2HZ LYS 27 2HZ LYS 27 -12.928 4.316 3.405 204 H LEU 28 H LEU 28 -9.702 6.213 -0.323 205 HA LEU 28 HA LEU 28 -7.980 5.329 -2.705 206 1HB LEU 28 1HB LEU 28 -7.885 7.909 -2.025 207 2HB LEU 28 2HB LEU 28 -7.249 7.432 -0.410 208 HG LEU 28 HG LEU 28 -5.264 6.340 -1.535 209 1HD1 LEU 28 1HD1 LEU 28 -5.933 5.859 -3.857 210 2HD1 LEU 28 2HD1 LEU 28 -6.267 7.642 -4.063 211 3HD1 LEU 28 3HD1 LEU 28 -4.626 7.024 -3.851 212 1HD2 LEU 28 1HD2 LEU 28 -5.418 9.200 -2.283 213 2HD2 LEU 28 2HD2 LEU 28 -5.278 8.649 -0.551 214 3HD2 LEU 28 3HD2 LEU 28 -4.055 8.197 -1.755 215 H ILE 29 H ILE 29 -6.245 4.181 -2.380 216 HA ILE 29 HA ILE 29 -5.850 2.799 0.005 217 HB ILE 29 HB ILE 29 -6.089 0.589 -0.737 218 1HG1 ILE 29 1HG1 ILE 29 -7.354 1.118 -3.410 219 2HG1 ILE 29 2HG1 ILE 29 -5.571 1.038 -3.124 220 1HG2 ILE 29 1HG2 ILE 29 -8.346 0.151 -0.742 221 2HG2 ILE 29 2HG2 ILE 29 -8.375 1.694 0.056 222 3HG2 ILE 29 3HG2 ILE 29 -8.855 1.610 -1.721 223 1HD1 ILE 29 1HD1 ILE 29 -5.609 -1.305 -2.660 224 2HD1 ILE 29 2HD1 ILE 29 -7.395 -1.265 -2.345 225 3HD1 ILE 29 3HD1 ILE 29 -6.776 -1.045 -4.017 226 H VAL 30 H VAL 30 -3.931 2.044 0.228 227 HA VAL 30 HA VAL 30 -1.819 2.455 -1.926 228 HB VAL 30 HB VAL 30 -1.618 3.710 0.794 229 1HG1 VAL 30 1HG1 VAL 30 0.591 2.922 -0.088 230 2HG1 VAL 30 2HG1 VAL 30 0.379 4.240 -1.306 231 3HG1 VAL 30 3HG1 VAL 30 0.542 4.559 0.428 232 1HG2 VAL 30 1HG2 VAL 30 -1.621 5.905 -0.072 233 2HG2 VAL 30 2HG2 VAL 30 -2.179 5.414 -1.679 234 3HG2 VAL 30 3HG2 VAL 30 -3.262 5.048 -0.412 235 H VAL 31 H VAL 31 -0.275 1.153 -1.691 236 HA VAL 31 HA VAL 31 -0.360 -1.071 0.331 237 HB VAL 31 HB VAL 31 -1.987 -1.778 -1.166 238 1HG1 VAL 31 1HG1 VAL 31 -0.314 -1.277 -3.572 239 2HG1 VAL 31 2HG1 VAL 31 -1.749 -2.369 -3.432 240 3HG1 VAL 31 3HG1 VAL 31 -1.876 -0.603 -3.049 241 1HG2 VAL 31 1HG2 VAL 31 -1.302 -4.017 -1.868 242 2HG2 VAL 31 2HG2 VAL 31 0.444 -3.513 -1.951 243 3HG2 VAL 31 3HG2 VAL 31 -0.292 -3.755 -0.467 244 H ASP 32 H ASP 32 1.593 -1.312 0.993 245 HA ASP 32 HA ASP 32 4.086 -1.187 -0.503 246 1HB ASP 32 1HB ASP 32 3.810 -0.704 2.002 247 2HB ASP 32 2HB ASP 32 3.844 -2.495 2.308 248 HD2 ASP 32 HD ASP 32 7.301 -1.429 0.601 249 H PHE 33 H PHE 33 5.210 -2.903 -1.254 250 HA PHE 33 HA PHE 33 4.209 -5.810 -1.488 251 1HB PHE 33 1HB PHE 33 4.912 -3.692 -3.613 252 2HB PHE 33 2HB PHE 33 5.112 -5.259 -4.011 253 HD1 PHE 33 1HD PHE 33 2.837 -6.818 -3.104 254 HD2 PHE 33 2HD PHE 33 2.865 -2.647 -4.177 255 HE1 PHE 33 1HE PHE 33 0.445 -6.781 -3.723 256 HE2 PHE 33 2HE PHE 33 0.526 -2.776 -4.728 257 HZ PHE 33 HZ PHE 33 -0.763 -4.917 -4.586 258 H THR 34 H THR 34 6.105 -6.885 -0.507 259 HA THR 34 HA THR 34 8.676 -5.558 -0.370 260 HB THR 34 HB THR 34 7.689 -4.152 1.234 261 HG1 THR 34 1HG THR 34 9.153 -6.329 2.345 262 1HG2 THR 34 1HG2 THR 34 6.828 -6.707 2.847 263 2HG2 THR 34 2HG2 THR 34 7.076 -5.093 3.462 264 3HG2 THR 34 3HG2 THR 34 5.759 -5.292 2.169 265 H ALA 35 H ALA 35 9.928 -7.159 0.061 266 HA ALA 35 HA ALA 35 9.183 -10.021 0.719 267 1HB ALA 35 1HB ALA 35 11.558 -10.328 0.715 268 2HB ALA 35 2HB ALA 35 11.230 -9.338 -0.626 269 3HB ALA 35 3HB ALA 35 11.912 -8.554 0.752 270 H SER 36 H SER 36 8.729 -10.681 2.636 271 HA SER 36 HA SER 36 8.851 -9.597 5.205 272 1HB SER 36 1HB SER 36 7.630 -11.610 4.667 273 2HB SER 36 2HB SER 36 9.197 -12.644 4.933 274 HG SER 36 HG SER 36 8.199 -10.784 6.812 275 H TRP 37 H TRP 37 11.660 -10.847 3.693 276 HA TRP 37 HA TRP 37 13.615 -10.354 5.992 277 1HB TRP 37 1HB TRP 37 15.192 -11.620 4.566 278 2HB TRP 37 2HB TRP 37 13.834 -12.680 4.919 279 HD1 TRP 37 HD TRP 37 12.090 -13.175 2.726 280 HE1 TRP 37 1HE TRP 37 12.149 -12.924 0.177 281 HE3 TRP 37 3HE TRP 37 16.340 -10.466 2.578 282 HZ2 TRP 37 2HZ TRP 37 14.137 -11.858 -1.701 283 HZ3 TRP 37 3HZ TRP 37 17.484 -10.232 0.388 284 HH2 TRP 37 HH TRP 37 16.228 -10.869 -1.707 285 H CYS 38 H CYS 38 13.389 -8.330 6.135 286 HA CYS 38 HA CYS 38 14.772 -6.511 4.406 287 1HB CYS 38 1HB CYS 38 12.909 -6.633 2.922 288 2HB CYS 38 2HB CYS 38 11.792 -6.290 4.234 289 HG CYS 38 HG CYS 38 12.904 -4.359 2.258 290 HA PRO 39 HA PRO 39 14.370 -4.794 8.951 291 1HB PRO 39 1HB PRO 39 16.923 -3.564 8.358 292 2HB PRO 39 2HB PRO 39 16.515 -4.696 9.668 293 1HG PRO 39 1HG PRO 39 18.135 -5.530 7.506 294 2HG PRO 39 2HG PRO 39 17.312 -6.420 8.825 295 1HD PRO 39 1HD PRO 39 16.672 -6.037 5.840 296 2HD PRO 39 2HD PRO 39 16.075 -7.429 6.912 297 HA PRO 40 HA PRO 40 14.791 -0.172 6.543 298 1HB PRO 40 1HB PRO 40 14.510 -1.152 3.795 299 2HB PRO 40 2HB PRO 40 15.680 0.029 4.528 300 1HG PRO 40 1HG PRO 40 16.682 -2.210 3.696 301 2HG PRO 40 2HG PRO 40 17.262 -1.331 5.212 302 1HD PRO 40 1HD PRO 40 15.158 -3.647 4.824 303 2HD PRO 40 2HD PRO 40 16.594 -3.723 5.931 304 H CYS 41 H CYS 41 12.704 -2.712 4.884 305 HA CYS 41 HA CYS 41 10.231 -1.213 5.389 306 1HB CYS 41 1HB CYS 41 10.528 -3.707 3.802 307 2HB CYS 41 2HB CYS 41 9.015 -2.959 4.148 308 HG CYS 41 HG CYS 41 9.228 -1.755 1.853 309 H LYS 42 H LYS 42 11.735 -3.487 7.227 310 HA LYS 42 HA LYS 42 9.449 -3.947 8.928 311 1HB LYS 42 1HB LYS 42 12.121 -4.946 8.859 312 2HB LYS 42 2HB LYS 42 12.154 -3.913 10.256 313 1HG LYS 42 1HG LYS 42 10.100 -5.183 11.175 314 2HG LYS 42 2HG LYS 42 10.299 -6.168 9.757 315 1HD LYS 42 1HD LYS 42 12.229 -7.207 10.664 316 2HD LYS 42 2HD LYS 42 12.681 -5.816 11.559 317 1HE LYS 42 1HE LYS 42 12.129 -7.508 13.219 318 2HE LYS 42 2HE LYS 42 10.762 -6.370 13.216 319 1HZ LYS 42 1HZ LYS 42 9.633 -8.017 11.671 320 2HZ LYS 42 2HZ LYS 42 10.871 -8.919 11.595 321 H MET 43 H MET 43 11.938 -1.337 9.278 322 HA MET 43 HA MET 43 10.301 0.159 11.042 323 1HB MET 43 1HB MET 43 11.709 2.116 10.891 324 2HB MET 43 2HB MET 43 12.648 0.566 11.142 325 1HG MET 43 1HG MET 43 13.207 0.571 8.732 326 2HG MET 43 2HG MET 43 12.414 2.121 8.550 327 1HE MET 43 1HE MET 43 16.543 2.465 8.606 328 2HE MET 43 2HE MET 43 15.771 0.924 8.244 329 3HE MET 43 3HE MET 43 15.035 2.491 7.674 330 H ILE 44 H ILE 44 10.331 0.065 7.616 331 HA ILE 44 HA ILE 44 8.667 2.475 7.261 332 HB ILE 44 HB ILE 44 10.006 1.160 5.430 333 1HG1 ILE 44 1HG1 ILE 44 8.869 2.713 3.741 334 2HG1 ILE 44 2HG1 ILE 44 7.819 3.395 4.970 335 1HG2 ILE 44 1HG2 ILE 44 7.221 0.576 4.448 336 2HG2 ILE 44 2HG2 ILE 44 8.827 0.181 3.707 337 3HG2 ILE 44 3HG2 ILE 44 8.163 -0.683 5.078 338 1HD1 ILE 44 1HD1 ILE 44 10.143 3.994 6.320 339 2HD1 ILE 44 2HD1 ILE 44 10.806 3.556 4.827 340 3HD1 ILE 44 3HD1 ILE 44 9.609 4.852 4.804 341 H ALA 45 H ALA 45 7.721 -0.848 7.877 342 HA ALA 45 HA ALA 45 4.874 -0.410 7.827 343 1HB ALA 45 1HB ALA 45 6.490 -2.245 9.771 344 2HB ALA 45 2HB ALA 45 4.743 -2.403 9.330 345 3HB ALA 45 3HB ALA 45 6.054 -2.632 8.152 346 HA PRO 46 HA PRO 46 4.794 1.865 12.260 347 1HB PRO 46 1HB PRO 46 7.734 2.688 11.893 348 2HB PRO 46 2HB PRO 46 6.902 2.634 13.479 349 1HG PRO 46 1HG PRO 46 8.535 0.603 12.854 350 2HG PRO 46 2HG PRO 46 6.967 0.205 13.548 351 1HD PRO 46 1HD PRO 46 7.830 0.036 10.736 352 2HD PRO 46 2HD PRO 46 6.756 -1.109 11.507 353 H ILE 47 H ILE 47 7.105 3.279 9.780 354 HA ILE 47 HA ILE 47 5.986 5.843 9.831 355 HB ILE 47 HB ILE 47 7.460 4.385 7.558 356 1HG1 ILE 47 1HG1 ILE 47 8.977 4.665 9.497 357 2HG1 ILE 47 2HG1 ILE 47 9.376 5.726 8.198 358 1HG2 ILE 47 1HG2 ILE 47 6.028 6.223 6.586 359 2HG2 ILE 47 2HG2 ILE 47 6.733 7.388 7.809 360 3HG2 ILE 47 3HG2 ILE 47 7.769 6.761 6.543 361 1HD1 ILE 47 1HD1 ILE 47 9.538 7.043 10.297 362 2HD1 ILE 47 2HD1 ILE 47 7.871 7.554 9.756 363 3HD1 ILE 47 3HD1 ILE 47 8.006 6.289 10.845 364 H PHE 48 H PHE 48 5.003 3.211 7.622 365 HA PHE 48 HA PHE 48 2.734 4.336 6.485 366 1HB PHE 48 1HB PHE 48 4.114 2.268 5.804 367 2HB PHE 48 2HB PHE 48 3.447 1.410 7.151 368 HD1 PHE 48 1HD PHE 48 1.865 -0.173 6.142 369 HD2 PHE 48 2HD PHE 48 2.443 3.466 4.094 370 HE1 PHE 48 1HE PHE 48 0.937 -1.210 4.211 371 HE2 PHE 48 2HE PHE 48 1.299 2.612 2.120 372 HZ PHE 48 HZ PHE 48 0.630 0.183 2.099 373 H ALA 49 H ALA 49 3.049 2.568 9.533 374 HA ALA 49 HA ALA 49 0.181 2.839 10.363 375 1HB ALA 49 1HB ALA 49 1.153 1.031 11.374 376 2HB ALA 49 2HB ALA 49 2.521 1.960 12.107 377 3HB ALA 49 3HB ALA 49 0.882 2.181 12.673 378 H GLU 50 H GLU 50 3.028 4.846 11.395 379 HA GLU 50 HA GLU 50 1.211 6.746 12.610 380 1HB GLU 50 1HB GLU 50 3.930 6.541 12.812 381 2HB GLU 50 2HB GLU 50 3.949 7.398 11.367 382 1HG GLU 50 1HG GLU 50 2.602 8.403 14.016 383 2HG GLU 50 2HG GLU 50 4.237 8.540 13.532 384 HE2 GLU 50 HE GLU 50 2.073 11.491 12.549 385 H LEU 51 H LEU 51 2.436 6.855 9.374 386 HA LEU 51 HA LEU 51 1.224 9.204 8.420 387 1HB LEU 51 1HB LEU 51 2.969 8.003 7.393 388 2HB LEU 51 2HB LEU 51 1.997 6.524 7.331 389 HG LEU 51 HG LEU 51 2.635 8.092 5.258 390 1HD1 LEU 51 1HD1 LEU 51 0.310 6.205 5.757 391 2HD1 LEU 51 2HD1 LEU 51 0.157 7.176 4.267 392 3HD1 LEU 51 3HD1 LEU 51 1.555 6.217 4.484 393 1HD2 LEU 51 1HD2 LEU 51 1.578 10.237 6.340 394 2HD2 LEU 51 2HD2 LEU 51 0.997 9.896 4.618 395 3HD2 LEU 51 3HD2 LEU 51 -0.004 9.456 6.046 396 H ALA 52 H ALA 52 -0.092 5.813 8.779 397 HA ALA 52 HA ALA 52 -2.743 6.331 7.580 398 1HB ALA 52 1HB ALA 52 -1.639 4.021 7.841 399 2HB ALA 52 2HB ALA 52 -1.655 4.107 9.544 400 3HB ALA 52 3HB ALA 52 -3.204 4.074 8.762 401 H LYS 53 H LYS 53 -1.471 6.717 10.825 402 HA LYS 53 HA LYS 53 -3.906 7.334 12.311 403 1HB LYS 53 1HB LYS 53 -1.139 8.047 13.119 404 2HB LYS 53 2HB LYS 53 -2.528 8.503 14.031 405 1HG LYS 53 1HG LYS 53 -3.039 5.922 13.895 406 2HG LYS 53 2HG LYS 53 -1.437 5.529 13.560 407 1HD LYS 53 1HD LYS 53 -2.620 6.858 16.061 408 2HD LYS 53 2HD LYS 53 -1.675 5.348 16.057 409 1HE LYS 53 1HE LYS 53 0.440 6.436 15.943 410 2HE LYS 53 2HE LYS 53 -0.134 7.880 15.275 411 1HZ LYS 53 1HZ LYS 53 0.228 7.323 17.999 412 2HZ LYS 53 2HZ LYS 53 -0.582 8.536 17.298 413 H LYS 54 H LYS 54 -1.881 9.163 10.306 414 HA LYS 54 HA LYS 54 -2.739 11.931 11.057 415 1HB LYS 54 1HB LYS 54 -0.435 11.165 10.195 416 2HB LYS 54 2HB LYS 54 -1.214 11.095 8.633 417 1HG LYS 54 1HG LYS 54 -1.623 13.431 8.776 418 2HG LYS 54 2HG LYS 54 -1.124 13.568 10.449 419 1HD LYS 54 1HD LYS 54 0.629 13.023 8.142 420 2HD LYS 54 2HD LYS 54 0.704 14.577 8.925 421 1HE LYS 54 1HE LYS 54 1.375 13.281 11.137 422 2HE LYS 54 2HE LYS 54 1.817 11.980 10.098 423 1HZ LYS 54 1HZ LYS 54 2.943 14.629 9.582 424 2HZ LYS 54 2HZ LYS 54 3.614 13.572 10.713 425 H PHE 55 H PHE 55 -3.360 9.688 8.680 426 HA PHE 55 HA PHE 55 -5.429 11.218 7.158 427 1HB PHE 55 1HB PHE 55 -2.932 9.439 6.444 428 2HB PHE 55 2HB PHE 55 -4.129 9.486 5.220 429 HD1 PHE 55 1HD PHE 55 -4.801 11.969 4.475 430 HD2 PHE 55 2HD PHE 55 -1.218 11.211 6.519 431 HE1 PHE 55 1HE PHE 55 -3.948 14.329 3.914 432 HE2 PHE 55 2HE PHE 55 -0.315 13.643 5.727 433 HZ PHE 55 HZ PHE 55 -1.859 15.006 4.537 434 HA PRO 56 HA PRO 56 -8.559 7.926 8.065 435 1HB PRO 56 1HB PRO 56 -10.528 9.372 8.373 436 2HB PRO 56 2HB PRO 56 -9.166 9.483 9.376 437 1HG PRO 56 1HG PRO 56 -9.912 11.317 7.120 438 2HG PRO 56 2HG PRO 56 -9.531 11.685 8.752 439 1HD PRO 56 1HD PRO 56 -7.481 11.636 6.797 440 2HD PRO 56 2HD PRO 56 -7.143 11.321 8.529 441 H ASN 57 H ASN 57 -8.284 8.854 4.945 442 HA ASN 57 HA ASN 57 -11.109 8.105 4.093 443 1HB ASN 57 1HB ASN 57 -10.943 9.253 1.939 444 2HB ASN 57 2HB ASN 57 -11.020 10.314 3.311 445 1HD2 ASN 57 1HD2 ASN 57 -8.559 11.178 3.894 446 2HD2 ASN 57 2HD2 ASN 57 -7.494 11.454 2.461 447 H VAL 58 H VAL 58 -8.270 7.019 4.452 448 HA VAL 58 HA VAL 58 -7.786 5.292 2.071 449 HB VAL 58 HB VAL 58 -6.791 7.377 1.983 450 1HG1 VAL 58 1HG1 VAL 58 -5.499 6.897 4.527 451 2HG1 VAL 58 2HG1 VAL 58 -4.814 8.094 3.348 452 3HG1 VAL 58 3HG1 VAL 58 -6.535 8.211 4.003 453 1HG2 VAL 58 1HG2 VAL 58 -4.440 6.768 1.190 454 2HG2 VAL 58 2HG2 VAL 58 -4.206 5.460 2.452 455 3HG2 VAL 58 3HG2 VAL 58 -5.460 5.215 1.107 456 H THR 59 H THR 59 -7.467 3.193 2.193 457 HA THR 59 HA THR 59 -6.852 1.837 4.825 458 HB THR 59 HB THR 59 -7.761 0.925 2.012 459 HG1 THR 59 1HG THR 59 -9.268 1.646 3.976 460 1HG2 THR 59 1HG2 THR 59 -7.647 -1.350 2.693 461 2HG2 THR 59 2HG2 THR 59 -6.091 -0.740 3.363 462 3HG2 THR 59 3HG2 THR 59 -7.557 -0.964 4.342 463 H PHE 60 H PHE 60 -5.121 0.611 4.822 464 HA PHE 60 HA PHE 60 -2.883 0.712 2.864 465 1HB PHE 60 1HB PHE 60 -2.839 1.456 5.888 466 2HB PHE 60 2HB PHE 60 -1.257 1.217 4.963 467 HD1 PHE 60 1HD PHE 60 -0.934 3.038 2.908 468 HD2 PHE 60 2HD PHE 60 -3.724 3.306 6.001 469 HE1 PHE 60 1HE PHE 60 -0.864 5.408 2.616 470 HE2 PHE 60 2HE PHE 60 -3.740 5.799 5.836 471 HZ PHE 60 HZ PHE 60 -2.436 6.901 4.128 472 H LEU 61 H LEU 61 -2.143 -0.980 2.469 473 HA LEU 61 HA LEU 61 -2.079 -3.309 4.240 474 1HB LEU 61 1HB LEU 61 -3.503 -4.697 3.124 475 2HB LEU 61 2HB LEU 61 -4.318 -3.371 2.803 476 HG LEU 61 HG LEU 61 -2.690 -3.343 0.585 477 1HD1 LEU 61 1HD1 LEU 61 -3.526 -6.258 0.859 478 2HD1 LEU 61 2HD1 LEU 61 -2.436 -5.626 -0.378 479 3HD1 LEU 61 3HD1 LEU 61 -1.909 -5.823 1.355 480 1HD2 LEU 61 1HD2 LEU 61 -5.122 -3.063 0.441 481 2HD2 LEU 61 2HD2 LEU 61 -4.533 -4.109 -0.842 482 3HD2 LEU 61 3HD2 LEU 61 -5.418 -4.797 0.577 483 H LYS 62 H LYS 62 -0.911 -5.025 3.643 484 HA LYS 62 HA LYS 62 1.651 -4.367 2.421 485 1HB LYS 62 1HB LYS 62 3.042 -4.477 4.363 486 2HB LYS 62 2HB LYS 62 1.768 -3.405 4.619 487 1HG LYS 62 1HG LYS 62 0.422 -5.012 5.972 488 2HG LYS 62 2HG LYS 62 1.554 -6.239 5.648 489 1HD LYS 62 1HD LYS 62 3.354 -5.052 6.878 490 2HD LYS 62 2HD LYS 62 2.193 -3.677 7.174 491 1HE LYS 62 1HE LYS 62 0.940 -5.359 8.604 492 2HE LYS 62 2HE LYS 62 2.115 -6.592 8.033 493 1HZ LYS 62 1HZ LYS 62 3.572 -4.520 9.404 494 2HZ LYS 62 2HZ LYS 62 3.417 -6.109 9.785 495 H VAL 63 H VAL 63 2.353 -5.982 1.384 496 HA VAL 63 HA VAL 63 1.156 -8.763 1.580 497 HB VAL 63 HB VAL 63 1.947 -7.153 -0.912 498 1HG1 VAL 63 1HG1 VAL 63 0.884 -8.968 -2.183 499 2HG1 VAL 63 2HG1 VAL 63 2.498 -9.333 -1.574 500 3HG1 VAL 63 3HG1 VAL 63 1.066 -9.994 -0.748 501 1HG2 VAL 63 1HG2 VAL 63 -0.307 -6.267 -0.101 502 2HG2 VAL 63 2HG2 VAL 63 -0.551 -7.254 -1.473 503 3HG2 VAL 63 3HG2 VAL 63 -0.870 -7.969 0.135 504 H ASP 64 H ASP 64 2.571 -10.072 2.057 505 HA ASP 64 HA ASP 64 5.511 -10.298 1.745 506 1HB ASP 64 1HB ASP 64 3.675 -11.547 3.254 507 2HB ASP 64 2HB ASP 64 3.432 -12.561 1.888 508 HD2 ASP 64 HD ASP 64 7.062 -13.532 2.238 509 H VAL 65 H VAL 65 6.494 -10.257 -0.202 510 HA VAL 65 HA VAL 65 5.141 -10.662 -2.690 511 HB VAL 65 HB VAL 65 6.947 -9.097 -2.114 512 1HG1 VAL 65 1HG1 VAL 65 9.333 -9.591 -2.543 513 2HG1 VAL 65 2HG1 VAL 65 8.711 -10.803 -1.426 514 3HG1 VAL 65 3HG1 VAL 65 9.095 -11.300 -3.095 515 1HG2 VAL 65 1HG2 VAL 65 6.891 -10.733 -4.769 516 2HG2 VAL 65 2HG2 VAL 65 5.957 -9.189 -4.433 517 3HG2 VAL 65 3HG2 VAL 65 7.683 -9.224 -4.673 518 H ASP 66 H ASP 66 7.625 -12.517 -0.985 519 HA ASP 66 HA ASP 66 8.078 -14.808 -2.184 520 1HB ASP 66 1HB ASP 66 7.375 -14.796 0.856 521 2HB ASP 66 2HB ASP 66 8.368 -15.925 -0.008 522 HD2 ASP 66 HD ASP 66 9.720 -12.895 2.013 523 H GLU 67 H GLU 67 4.958 -14.537 -0.242 524 HA GLU 67 HA GLU 67 3.639 -16.956 -1.436 525 1HB GLU 67 1HB GLU 67 2.433 -14.477 -0.157 526 2HB GLU 67 2HB GLU 67 1.667 -16.039 -0.278 527 1HG GLU 67 1HG GLU 67 4.069 -15.548 1.557 528 2HG GLU 67 2HG GLU 67 2.443 -15.323 2.061 529 HE2 GLU 67 HE GLU 67 4.175 -18.940 2.076 530 H LEU 68 H LEU 68 3.867 -13.604 -2.639 531 HA LEU 68 HA LEU 68 1.786 -14.070 -4.756 532 1HB LEU 68 1HB LEU 68 1.651 -11.816 -2.633 533 2HB LEU 68 2HB LEU 68 0.734 -11.809 -4.132 534 HG LEU 68 HG LEU 68 0.458 -13.839 -1.828 535 1HD1 LEU 68 1HD1 LEU 68 -1.675 -12.516 -1.329 536 2HD1 LEU 68 2HD1 LEU 68 -0.360 -11.560 -1.123 537 3HD1 LEU 68 3HD1 LEU 68 -1.247 -11.246 -2.607 538 1HD2 LEU 68 1HD2 LEU 68 -0.343 -14.728 -4.191 539 2HD2 LEU 68 2HD2 LEU 68 -1.617 -14.634 -2.851 540 3HD2 LEU 68 3HD2 LEU 68 -1.675 -13.423 -4.107 541 H LYS 69 H LYS 69 3.875 -14.203 -5.586 542 HA LYS 69 HA LYS 69 5.269 -11.647 -6.291 543 1HB LYS 69 1HB LYS 69 7.095 -12.869 -7.372 544 2HB LYS 69 2HB LYS 69 6.755 -13.330 -5.753 545 1HG LYS 69 1HG LYS 69 5.807 -15.464 -6.039 546 2HG LYS 69 2HG LYS 69 5.877 -15.257 -7.784 547 1HD LYS 69 1HD LYS 69 8.385 -14.848 -7.621 548 2HD LYS 69 2HD LYS 69 8.227 -15.007 -5.818 549 1HE LYS 69 1HE LYS 69 7.613 -17.134 -7.862 550 2HE LYS 69 2HE LYS 69 9.076 -17.040 -6.910 551 1HZ LYS 69 1HZ LYS 69 7.740 -18.586 -5.940 552 2HZ LYS 69 2HZ LYS 69 7.889 -17.242 -4.901 553 H ALA 70 H ALA 70 3.304 -14.132 -7.942 554 HA ALA 70 HA ALA 70 3.521 -12.933 -10.650 555 1HB ALA 70 1HB ALA 70 1.463 -14.528 -11.134 556 2HB ALA 70 2HB ALA 70 3.036 -15.239 -10.591 557 3HB ALA 70 3HB ALA 70 1.611 -15.015 -9.493 558 H VAL 71 H VAL 71 0.684 -12.644 -8.541 559 HA VAL 71 HA VAL 71 -0.343 -10.439 -9.775 560 HB VAL 71 HB VAL 71 -1.555 -11.909 -8.174 561 1HG1 VAL 71 1HG1 VAL 71 -1.255 -11.740 -5.835 562 2HG1 VAL 71 2HG1 VAL 71 0.445 -11.603 -6.380 563 3HG1 VAL 71 3HG1 VAL 71 -0.399 -10.145 -5.809 564 1HG2 VAL 71 1HG2 VAL 71 -2.904 -9.856 -7.077 565 2HG2 VAL 71 2HG2 VAL 71 -1.608 -8.748 -7.738 566 3HG2 VAL 71 3HG2 VAL 71 -2.617 -9.828 -8.758 567 H ALA 72 H ALA 72 1.913 -10.089 -6.894 568 HA ALA 72 HA ALA 72 1.968 -7.258 -7.021 569 1HB ALA 72 1HB ALA 72 4.172 -7.177 -5.999 570 2HB ALA 72 2HB ALA 72 3.283 -8.555 -5.291 571 3HB ALA 72 3HB ALA 72 4.567 -8.819 -6.693 572 H GLU 73 H GLU 73 3.845 -9.217 -8.879 573 HA GLU 73 HA GLU 73 5.265 -7.396 -10.802 574 1HB GLU 73 1HB GLU 73 4.429 -10.287 -11.316 575 2HB GLU 73 2HB GLU 73 5.191 -9.303 -12.564 576 1HG GLU 73 1HG GLU 73 7.181 -8.922 -11.204 577 2HG GLU 73 2HG GLU 73 6.397 -9.826 -9.926 578 HE2 GLU 73 HE GLU 73 7.563 -11.976 -13.146 579 H GLU 74 H GLU 74 1.964 -8.752 -11.054 580 HA GLU 74 HA GLU 74 1.261 -7.576 -13.632 581 1HB GLU 74 1HB GLU 74 -0.612 -8.737 -13.456 582 2HB GLU 74 2HB GLU 74 -0.056 -9.521 -12.061 583 1HG GLU 74 1HG GLU 74 -1.254 -8.293 -10.467 584 2HG GLU 74 2HG GLU 74 -1.955 -7.200 -11.717 585 HE2 GLU 74 HE GLU 74 -3.776 -7.694 -12.087 586 H TRP 75 H TRP 75 0.590 -6.400 -10.207 587 HA TRP 75 HA TRP 75 -0.639 -3.886 -10.961 588 1HB TRP 75 1HB TRP 75 0.816 -4.368 -8.446 589 2HB TRP 75 2HB TRP 75 -0.167 -3.003 -8.582 590 HD1 TRP 75 HD TRP 75 0.075 -5.890 -6.809 591 HE1 TRP 75 1HE TRP 75 -2.097 -7.256 -6.186 592 HE3 TRP 75 3HE TRP 75 -2.883 -3.833 -10.106 593 HZ2 TRP 75 2HZ TRP 75 -4.404 -7.626 -7.434 594 HZ3 TRP 75 3HZ TRP 75 -5.083 -5.171 -10.903 595 HH2 TRP 75 HH TRP 75 -5.827 -6.951 -9.490 596 H ASN 76 H ASN 76 2.603 -4.489 -9.936 597 HA ASN 76 HA ASN 76 4.013 -4.277 -12.149 598 1HB ASN 76 1HB ASN 76 2.909 -1.992 -12.866 599 2HB ASN 76 2HB ASN 76 3.953 -1.254 -11.566 600 1HD2 ASN 76 1HD2 ASN 76 5.975 -0.974 -12.165 601 2HD2 ASN 76 2HD2 ASN 76 6.614 -1.321 -13.851 602 H VAL 77 H VAL 77 5.204 -5.495 -10.569 603 HA VAL 77 HA VAL 77 7.214 -4.101 -8.837 604 HB VAL 77 HB VAL 77 5.531 -6.358 -7.549 605 1HG1 VAL 77 1HG1 VAL 77 7.246 -4.051 -6.386 606 2HG1 VAL 77 2HG1 VAL 77 6.572 -5.479 -5.500 607 3HG1 VAL 77 3HG1 VAL 77 7.917 -5.665 -6.743 608 1HG2 VAL 77 1HG2 VAL 77 4.998 -3.225 -7.028 609 2HG2 VAL 77 2HG2 VAL 77 3.988 -4.292 -7.976 610 3HG2 VAL 77 3HG2 VAL 77 4.199 -4.764 -6.337 611 H GLU 78 H GLU 78 8.147 -4.694 -10.726 612 HA GLU 78 HA GLU 78 9.507 -7.237 -10.472 613 1HB GLU 78 1HB GLU 78 10.951 -6.680 -12.328 614 2HB GLU 78 2HB GLU 78 9.429 -6.172 -12.841 615 1HG GLU 78 1HG GLU 78 10.421 -4.264 -13.370 616 2HG GLU 78 2HG GLU 78 9.968 -3.761 -11.824 617 HE2 GLU 78 HE GLU 78 12.565 -5.696 -11.749 618 H ALA 79 H ALA 79 9.668 -4.638 -8.518 619 HA ALA 79 HA ALA 79 12.331 -5.026 -7.396 620 1HB ALA 79 1HB ALA 79 12.403 -2.426 -6.912 621 2HB ALA 79 2HB ALA 79 12.496 -2.970 -8.730 622 3HB ALA 79 3HB ALA 79 11.096 -2.314 -8.140 623 H MET 80 H MET 80 12.713 -4.436 -5.522 624 HA MET 80 HA MET 80 10.693 -4.444 -3.353 625 1HB MET 80 1HB MET 80 13.356 -5.716 -3.432 626 2HB MET 80 2HB MET 80 13.007 -4.861 -1.986 627 1HG MET 80 1HG MET 80 12.334 -7.465 -2.089 628 2HG MET 80 2HG MET 80 10.977 -6.407 -1.598 629 1HE MET 80 1HE MET 80 8.568 -6.381 -4.634 630 2HE MET 80 2HE MET 80 8.416 -7.245 -3.018 631 3HE MET 80 3HE MET 80 9.035 -5.555 -3.221 632 HA PRO 81 HA PRO 81 9.273 -3.007 -2.892 633 1HB PRO 81 1HB PRO 81 9.086 -2.383 -0.395 634 2HB PRO 81 2HB PRO 81 10.269 -3.565 -0.670 635 1HG PRO 81 2HG PRO 81 10.748 -0.583 0.185 636 2HG PRO 81 1HG PRO 81 11.741 -2.090 0.277 637 1HD PRO 81 1HD PRO 81 11.790 -0.084 -1.756 638 2HD PRO 81 2HD PRO 81 13.084 -1.328 -1.440 639 H THR 82 H THR 82 7.833 -2.329 -3.166 640 HA THR 82 HA THR 82 7.206 0.322 -4.308 641 HB THR 82 HB THR 82 6.135 -2.158 -5.481 642 HG1 THR 82 1HG THR 82 8.309 -2.146 -6.189 643 1HG2 THR 82 1HG2 THR 82 5.019 0.054 -6.061 644 2HG2 THR 82 2HG2 THR 82 6.506 0.648 -6.674 645 3HG2 THR 82 3HG2 THR 82 5.817 -0.877 -7.411 646 H PHE 83 H PHE 83 5.542 1.287 -3.845 647 HA PHE 83 HA PHE 83 3.143 0.636 -2.263 648 1HB PHE 83 1HB PHE 83 4.412 3.523 -2.726 649 2HB PHE 83 2HB PHE 83 3.024 3.248 -1.847 650 HD1 PHE 83 1HD PHE 83 6.595 3.124 -1.659 651 HD2 PHE 83 2HD PHE 83 3.017 1.721 0.475 652 HE1 PHE 83 1HE PHE 83 7.861 2.657 0.376 653 HE2 PHE 83 2HE PHE 83 4.350 1.488 2.527 654 HZ PHE 83 HZ PHE 83 6.864 1.735 2.381 655 H ILE 84 H ILE 84 1.745 0.476 -3.785 656 HA ILE 84 HA ILE 84 1.400 2.010 -6.402 657 HB ILE 84 HB ILE 84 0.814 -0.836 -5.512 658 1HG1 ILE 84 1HG1 ILE 84 1.529 -0.043 -8.389 659 2HG1 ILE 84 2HG1 ILE 84 2.664 0.562 -7.324 660 1HG2 ILE 84 1HG2 ILE 84 -1.046 0.388 -7.533 661 2HG2 ILE 84 2HG2 ILE 84 -0.714 -1.126 -7.551 662 3HG2 ILE 84 3HG2 ILE 84 -1.524 -0.323 -6.142 663 1HD1 ILE 84 1HD1 ILE 84 3.299 -1.554 -6.459 664 2HD1 ILE 84 2HD1 ILE 84 2.049 -2.594 -7.169 665 3HD1 ILE 84 3HD1 ILE 84 3.475 -1.724 -8.229 666 H PHE 85 H PHE 85 -0.487 3.021 -6.721 667 HA PHE 85 HA PHE 85 -2.060 3.882 -4.409 668 1HB PHE 85 1HB PHE 85 -0.965 5.426 -6.664 669 2HB PHE 85 2HB PHE 85 -2.300 6.097 -5.700 670 HD1 PHE 85 1HD PHE 85 1.333 4.974 -5.709 671 HD2 PHE 85 2HD PHE 85 -1.723 6.981 -3.367 672 HE1 PHE 85 1HE PHE 85 2.858 5.315 -3.697 673 HE2 PHE 85 2HE PHE 85 0.064 7.696 -1.864 674 HZ PHE 85 HZ PHE 85 2.127 6.746 -1.795 675 H LEU 86 H LEU 86 -4.084 3.044 -4.845 676 HA LEU 86 HA LEU 86 -5.306 2.879 -7.649 677 1HB LEU 86 1HB LEU 86 -4.334 0.582 -6.442 678 2HB LEU 86 2HB LEU 86 -5.669 0.778 -5.398 679 HG LEU 86 HG LEU 86 -6.238 -0.842 -7.065 680 1HD1 LEU 86 1HD1 LEU 86 -8.197 0.087 -8.464 681 2HD1 LEU 86 2HD1 LEU 86 -8.237 0.788 -6.811 682 3HD1 LEU 86 3HD1 LEU 86 -7.630 1.739 -8.095 683 1HD2 LEU 86 1HD2 LEU 86 -6.249 -0.226 -9.683 684 2HD2 LEU 86 2HD2 LEU 86 -4.904 0.773 -9.123 685 3HD2 LEU 86 3HD2 LEU 86 -4.857 -0.941 -8.775 686 H LYS 87 H LYS 87 -6.814 4.308 -7.394 687 HA LYS 87 HA LYS 87 -8.504 4.980 -5.021 688 1HB LYS 87 1HB LYS 87 -7.198 6.851 -6.425 689 2HB LYS 87 2HB LYS 87 -8.461 6.677 -7.496 690 1HG LYS 87 1HG LYS 87 -10.008 7.395 -5.467 691 2HG LYS 87 2HG LYS 87 -8.616 7.228 -4.499 692 1HD LYS 87 1HD LYS 87 -7.560 9.108 -6.035 693 2HD LYS 87 2HD LYS 87 -8.998 9.152 -6.867 694 1HE LYS 87 1HE LYS 87 -10.374 9.519 -4.558 695 2HE LYS 87 2HE LYS 87 -8.841 9.695 -3.746 696 1HZ LYS 87 1HZ LYS 87 -9.542 11.453 -5.943 697 2HZ LYS 87 2HZ LYS 87 -9.544 11.863 -4.326 698 H ASP 88 H ASP 88 -11.028 4.815 -5.237 699 HA ASP 88 HA ASP 88 -12.472 3.673 -7.168 700 1HB ASP 88 1HB ASP 88 -14.312 5.112 -6.857 701 2HB ASP 88 2HB ASP 88 -13.434 4.783 -5.373 702 HD2 ASP 88 HD ASP 88 -13.216 8.202 -5.069 703 H GLY 89 H GLY 89 -10.500 4.092 -8.896 704 1HA GLY 89 1HA GLY 89 -11.690 4.699 -11.465 705 2HA GLY 89 2HA GLY 89 -10.754 6.094 -11.058 706 H LYS 90 H LYS 90 -9.958 2.828 -10.265 707 HA LYS 90 HA LYS 90 -8.385 1.351 -10.606 708 1HB LYS 90 1HB LYS 90 -8.179 2.363 -13.511 709 2HB LYS 90 2HB LYS 90 -7.438 0.820 -12.989 710 1HG LYS 90 1HG LYS 90 -9.285 0.162 -14.270 711 2HG LYS 90 2HG LYS 90 -9.292 -0.325 -12.604 712 1HD LYS 90 1HD LYS 90 -11.112 1.073 -12.239 713 2HD LYS 90 2HD LYS 90 -10.921 2.010 -13.750 714 1HE LYS 90 1HE LYS 90 -11.659 -0.191 -14.976 715 2HE LYS 90 2HE LYS 90 -11.785 -0.890 -13.355 716 1HZ LYS 90 1HZ LYS 90 -13.588 0.622 -12.899 717 2HZ LYS 90 2HZ LYS 90 -13.910 0.159 -14.379 718 H LEU 91 H LEU 91 -5.817 1.515 -11.850 719 HA LEU 91 HA LEU 91 -4.111 2.656 -9.825 720 1HB LEU 91 1HB LEU 91 -3.730 0.920 -11.707 721 2HB LEU 91 2HB LEU 91 -3.417 2.245 -12.772 722 HG LEU 91 HG LEU 91 -1.648 3.028 -11.094 723 1HD1 LEU 91 1HD1 LEU 91 -1.967 1.341 -9.203 724 2HD1 LEU 91 2HD1 LEU 91 -1.726 0.109 -10.374 725 3HD1 LEU 91 3HD1 LEU 91 -0.329 1.181 -9.988 726 1HD2 LEU 91 1HD2 LEU 91 0.127 1.772 -12.358 727 2HD2 LEU 91 2HD2 LEU 91 -1.189 0.621 -12.950 728 3HD2 LEU 91 3HD2 LEU 91 -1.222 2.274 -13.338 729 H VAL 92 H VAL 92 -4.506 4.687 -9.334 730 HA VAL 92 HA VAL 92 -3.988 6.917 -11.111 731 HB VAL 92 HB VAL 92 -4.151 8.417 -9.148 732 1HG1 VAL 92 1HG1 VAL 92 -6.601 6.512 -9.189 733 2HG1 VAL 92 2HG1 VAL 92 -6.643 8.034 -8.743 734 3HG1 VAL 92 3HG1 VAL 92 -6.171 7.683 -10.386 735 1HG2 VAL 92 1HG2 VAL 92 -4.485 6.038 -7.340 736 2HG2 VAL 92 2HG2 VAL 92 -3.200 7.241 -7.346 737 3HG2 VAL 92 3HG2 VAL 92 -4.869 7.860 -6.917 738 H ASP 93 H ASP 93 -1.649 5.402 -8.826 739 HA ASP 93 HA ASP 93 0.667 6.424 -10.422 740 1HB ASP 93 1HB ASP 93 -0.240 8.480 -9.008 741 2HB ASP 93 2HB ASP 93 0.444 7.623 -7.609 742 HD2 ASP 93 HD ASP 93 0.634 9.295 -10.512 743 H LYS 94 H LYS 94 2.773 6.250 -8.983 744 HA LYS 94 HA LYS 94 2.945 3.790 -7.369 745 1HB LYS 94 1HB LYS 94 4.183 2.456 -9.116 746 2HB LYS 94 2HB LYS 94 2.448 2.483 -9.064 747 1HG LYS 94 1HG LYS 94 2.919 4.169 -11.079 748 2HG LYS 94 2HG LYS 94 4.634 3.679 -10.918 749 1HD LYS 94 1HD LYS 94 3.693 1.103 -11.021 750 2HD LYS 94 2HD LYS 94 2.278 1.818 -11.558 751 1HE LYS 94 1HE LYS 94 5.048 2.048 -12.873 752 2HE LYS 94 2HE LYS 94 3.800 1.210 -13.596 753 1HZ LYS 94 1HZ LYS 94 4.054 4.109 -13.607 754 2HZ LYS 94 2HZ LYS 94 2.547 3.483 -13.779 755 H THR 95 H THR 95 4.955 3.695 -6.528 756 HA THR 95 HA THR 95 7.434 5.132 -7.270 757 HB THR 95 HB THR 95 5.883 5.922 -4.780 758 HG1 THR 95 1HG THR 95 5.525 6.992 -6.891 759 1HG2 THR 95 1HG2 THR 95 7.950 6.241 -3.864 760 2HG2 THR 95 2HG2 THR 95 8.799 6.678 -5.372 761 3HG2 THR 95 3HG2 THR 95 7.853 7.817 -4.554 762 H VAL 96 H VAL 96 9.215 4.401 -6.056 763 HA VAL 96 HA VAL 96 8.865 1.892 -4.363 764 HB VAL 96 HB VAL 96 8.783 0.753 -6.492 765 1HG1 VAL 96 1HG1 VAL 96 10.603 2.756 -7.755 766 2HG1 VAL 96 2HG1 VAL 96 10.132 1.361 -8.509 767 3HG1 VAL 96 3HG1 VAL 96 8.938 2.731 -8.141 768 1HG2 VAL 96 1HG2 VAL 96 10.404 -0.333 -5.335 769 2HG2 VAL 96 2HG2 VAL 96 10.821 -0.293 -6.978 770 3HG2 VAL 96 3HG2 VAL 96 11.722 0.739 -6.012 771 H GLY 97 H GLY 97 9.893 2.456 -2.622 772 1HA GLY 97 1HA GLY 97 12.730 2.810 -2.492 773 2HA GLY 97 2HA GLY 97 11.966 4.354 -2.343 774 H ALA 98 H ALA 98 12.769 4.276 -0.344 775 HA ALA 98 HA ALA 98 11.130 3.158 1.840 776 1HB ALA 98 1HB ALA 98 13.862 1.809 1.410 777 2HB ALA 98 2HB ALA 98 13.047 1.862 3.033 778 3HB ALA 98 3HB ALA 98 12.385 1.082 1.587 779 H ASP 99 H ASP 99 10.739 5.255 2.302 780 HA ASP 99 HA ASP 99 13.031 6.855 3.470 781 1HB ASP 99 1HB ASP 99 12.690 7.182 0.976 782 2HB ASP 99 2HB ASP 99 11.272 7.997 1.238 783 HD2 ASP 99 HD ASP 99 14.823 9.820 1.695 784 H LYS 100 H LYS 100 12.299 7.228 5.255 785 HA LYS 100 HA LYS 100 9.891 7.307 6.685 786 1HB LYS 100 1HB LYS 100 10.730 8.485 8.473 787 2HB LYS 100 2HB LYS 100 11.764 7.081 7.956 788 1HG LYS 100 1HG LYS 100 13.411 8.808 6.916 789 2HG LYS 100 2HG LYS 100 12.245 10.199 7.362 790 1HD LYS 100 1HD LYS 100 12.447 9.468 9.785 791 2HD LYS 100 2HD LYS 100 13.520 8.235 9.355 792 1HE LYS 100 1HE LYS 100 15.352 9.639 8.548 793 2HE LYS 100 2HE LYS 100 14.276 11.100 8.987 794 1HZ LYS 100 1HZ LYS 100 15.775 10.728 10.717 795 2HZ LYS 100 2HZ LYS 100 14.240 10.233 11.234 796 H ASP 101 H ASP 101 11.196 10.228 5.368 797 HA ASP 101 HA ASP 101 8.787 11.864 5.980 798 1HB ASP 101 1HB ASP 101 10.072 13.802 5.531 799 2HB ASP 101 2HB ASP 101 11.141 12.642 6.231 800 HD2 ASP 101 HD ASP 101 11.634 14.214 2.551 801 H GLY 102 H GLY 102 10.110 10.342 3.192 802 1HA GLY 102 1HA GLY 102 8.796 11.795 1.028 803 2HA GLY 102 2HA GLY 102 9.537 10.181 0.882 804 H LEU 103 H LEU 103 8.127 8.627 2.409 805 HA LEU 103 HA LEU 103 5.606 8.136 1.027 806 1HB LEU 103 1HB LEU 103 6.846 6.386 2.000 807 2HB LEU 103 2HB LEU 103 6.749 7.012 3.621 808 HG LEU 103 HG LEU 103 4.410 6.622 3.704 809 1HD1 LEU 103 1HD1 LEU 103 3.446 4.933 2.065 810 2HD1 LEU 103 2HD1 LEU 103 3.615 6.558 1.261 811 3HD1 LEU 103 3HD1 LEU 103 4.780 5.283 0.929 812 1HD2 LEU 103 1HD2 LEU 103 4.450 4.299 4.042 813 2HD2 LEU 103 2HD2 LEU 103 5.943 4.047 3.384 814 3HD2 LEU 103 3HD2 LEU 103 5.753 5.022 4.816 815 HA PRO 104 HA PRO 104 2.857 10.616 4.376 816 1HB PRO 104 1HB PRO 104 5.093 12.301 5.543 817 2HB PRO 104 2HB PRO 104 3.439 11.894 6.187 818 1HG PRO 104 1HG PRO 104 5.590 10.529 7.093 819 2HG PRO 104 2HG PRO 104 4.012 9.708 6.575 820 1HD PRO 104 1HD PRO 104 6.600 9.698 4.927 821 2HD PRO 104 2HD PRO 104 5.445 8.396 5.316 822 H THR 105 H THR 105 5.667 12.078 2.772 823 HA THR 105 HA THR 105 4.223 14.612 1.937 824 HB THR 105 HB THR 105 6.815 13.622 0.662 825 HG1 THR 105 1HG THR 105 6.708 14.078 2.939 826 1HG2 THR 105 1HG2 THR 105 5.930 15.442 -0.692 827 2HG2 THR 105 2HG2 THR 105 5.454 16.493 0.693 828 3HG2 THR 105 3HG2 THR 105 7.163 16.147 0.318 829 H LEU 106 H LEU 106 5.250 11.950 0.067 830 HA LEU 106 HA LEU 106 3.746 12.161 -2.353 831 1HB LEU 106 1HB LEU 106 5.470 10.734 -2.050 832 2HB LEU 106 2HB LEU 106 4.514 9.848 -0.762 833 HG LEU 106 HG LEU 106 3.067 8.767 -2.170 834 1HD1 LEU 106 1HD1 LEU 106 3.081 8.879 -4.717 835 2HD1 LEU 106 2HD1 LEU 106 2.915 10.622 -4.048 836 3HD1 LEU 106 3HD1 LEU 106 4.486 9.897 -4.654 837 1HD2 LEU 106 1HD2 LEU 106 4.412 7.200 -3.428 838 2HD2 LEU 106 2HD2 LEU 106 5.798 8.270 -3.275 839 3HD2 LEU 106 3HD2 LEU 106 5.064 7.625 -1.683 840 H VAL 107 H VAL 107 2.540 10.501 0.597 841 HA VAL 107 HA VAL 107 -0.222 9.867 -0.342 842 HB VAL 107 HB VAL 107 1.020 9.711 2.371 843 1HG1 VAL 107 1HG1 VAL 107 -1.559 10.069 2.669 844 2HG1 VAL 107 2HG1 VAL 107 -1.806 8.530 1.740 845 3HG1 VAL 107 3HG1 VAL 107 -0.993 8.568 3.187 846 1HG2 VAL 107 1HG2 VAL 107 0.684 7.228 1.956 847 2HG2 VAL 107 2HG2 VAL 107 0.202 7.678 0.252 848 3HG2 VAL 107 3HG2 VAL 107 1.852 8.216 1.006 849 H ALA 108 H ALA 108 1.079 12.528 1.667 850 HA ALA 108 HA ALA 108 -1.423 13.892 2.188 851 1HB ALA 108 1HB ALA 108 -0.081 15.954 2.367 852 2HB ALA 108 2HB ALA 108 0.340 14.683 3.520 853 3HB ALA 108 3HB ALA 108 1.428 14.856 2.109 854 H LYS 109 H LYS 109 0.761 14.534 -0.372 855 HA LYS 109 HA LYS 109 -0.871 16.268 -2.040 856 1HB LYS 109 1HB LYS 109 1.460 14.188 -2.776 857 2HB LYS 109 2HB LYS 109 0.754 15.274 -3.986 858 1HG LYS 109 1HG LYS 109 1.457 17.278 -2.726 859 2HG LYS 109 2HG LYS 109 2.109 16.312 -1.497 860 1HD LYS 109 1HD LYS 109 3.438 15.122 -3.197 861 2HD LYS 109 2HD LYS 109 2.925 15.956 -4.522 862 1HE LYS 109 1HE LYS 109 3.870 18.169 -3.091 863 2HE LYS 109 2HE LYS 109 4.638 16.998 -2.118 864 1HZ LYS 109 1HZ LYS 109 5.608 16.032 -4.172 865 2HZ LYS 109 2HZ LYS 109 4.947 17.205 -5.038 866 H HIS 110 H HIS 110 -0.879 12.597 -1.996 867 HA HIS 110 HA HIS 110 -2.805 12.340 -4.210 868 1HB HIS 110 1HB HIS 110 -1.540 10.246 -2.209 869 2HB HIS 110 2HB HIS 110 -3.017 9.997 -2.860 870 HD1 HIS 110 1HD HIS 110 -3.207 9.457 -5.636 871 HD2 HIS 110 2HD HIS 110 0.694 10.512 -4.229 872 HE1 HIS 110 1HE HIS 110 -1.576 9.385 -7.412 873 H ALA 111 H ALA 111 -3.207 11.942 -0.682 874 HA ALA 111 HA ALA 111 -6.142 11.799 -0.673 875 1HB ALA 111 1HB ALA 111 -5.653 12.422 1.829 876 2HB ALA 111 2HB ALA 111 -4.631 11.154 1.219 877 3HB ALA 111 3HB ALA 111 -4.008 12.797 1.419 878 H THR 112 H THR 112 -4.125 14.722 -0.339 879 HA THR 112 HA THR 112 -6.239 16.745 -0.204 880 HB THR 112 HB THR 112 -3.418 17.234 -1.351 881 HG1 THR 112 1HG THR 112 -3.024 16.451 0.714 882 1HG2 THR 112 1HG2 THR 112 -4.487 19.310 -1.620 883 2HG2 THR 112 2HG2 THR 112 -5.417 19.088 -0.057 884 3HG2 THR 112 3HG2 THR 112 -3.647 19.359 -0.028 885 H ALA 113 H ALA 113 -4.425 15.569 -3.000 886 HA ALA 113 HA ALA 113 -5.978 16.949 -5.034 887 1HB ALA 113 1HB ALA 113 -4.224 14.332 -5.131 888 2HB ALA 113 2HB ALA 113 -4.895 14.986 -6.636 889 3HB ALA 113 3HB ALA 113 -3.783 16.005 -5.641 890 HXT ALA 113 HO ALA 113 -8.972 15.310 -5.318 Start of MODEL 9 1 1H ALA 1 1H ALA 1 -12.293 12.448 16.333 2 2H ALA 1 2H ALA 1 -12.109 11.703 17.869 3 HA ALA 1 HA ALA 1 -10.299 10.318 16.821 4 1HB ALA 1 1HB ALA 1 -11.749 8.759 15.636 5 2HB ALA 1 2HB ALA 1 -12.344 9.156 17.270 6 3HB ALA 1 3HB ALA 1 -13.075 9.892 15.866 7 H GLU 2 H GLU 2 -8.914 10.276 15.378 8 HA GLU 2 HA GLU 2 -9.369 11.075 12.574 9 1HB GLU 2 1HB GLU 2 -8.469 12.898 14.027 10 2HB GLU 2 2HB GLU 2 -7.183 11.906 14.459 11 1HG GLU 2 1HG GLU 2 -6.719 11.924 11.669 12 2HG GLU 2 2HG GLU 2 -7.656 13.359 11.772 13 HE2 GLU 2 HE GLU 2 -3.844 13.587 12.625 14 H GLU 3 H GLU 3 -9.124 8.733 11.872 15 HA GLU 3 HA GLU 3 -6.415 7.755 11.476 16 1HB GLU 3 1HB GLU 3 -6.036 5.939 12.951 17 2HB GLU 3 2HB GLU 3 -6.272 7.312 13.909 18 1HG GLU 3 1HG GLU 3 -8.453 5.084 13.493 19 2HG GLU 3 2HG GLU 3 -7.265 5.056 14.798 20 HE2 GLU 3 HE GLU 3 -10.695 6.602 15.618 21 H GLY 4 H GLY 4 -6.032 5.658 10.841 22 1HA GLY 4 1HA GLY 4 -8.093 4.419 9.097 23 2HA GLY 4 2HA GLY 4 -6.543 5.036 8.335 24 H GLN 5 H GLN 5 -6.078 2.650 8.055 25 HA GLN 5 HA GLN 5 -4.994 1.150 10.455 26 1HB GLN 5 1HB GLN 5 -6.483 -0.673 10.165 27 2HB GLN 5 2HB GLN 5 -7.431 0.612 10.501 28 1HG GLN 5 1HG GLN 5 -6.991 -0.216 7.495 29 2HG GLN 5 2HG GLN 5 -7.897 -1.366 8.432 30 1HE2 GLN 5 1HE2 GLN 5 -10.126 -0.460 9.241 31 2HE2 GLN 5 2HE2 GLN 5 -10.862 1.014 8.402 32 H VAL 6 H VAL 6 -3.832 -0.387 10.030 33 HA VAL 6 HA VAL 6 -2.755 -1.105 7.295 34 HB VAL 6 HB VAL 6 -1.296 -0.782 10.013 35 1HG1 VAL 6 1HG1 VAL 6 0.862 -1.164 8.566 36 2HG1 VAL 6 2HG1 VAL 6 -0.116 -2.596 8.604 37 3HG1 VAL 6 3HG1 VAL 6 -0.226 -1.532 7.073 38 1HG2 VAL 6 1HG2 VAL 6 -1.012 0.983 7.406 39 2HG2 VAL 6 2HG2 VAL 6 -1.664 1.471 9.014 40 3HG2 VAL 6 3HG2 VAL 6 0.042 1.026 8.788 41 H ILE 7 H ILE 7 -3.220 -2.882 6.925 42 HA ILE 7 HA ILE 7 -3.583 -5.157 8.914 43 HB ILE 7 HB ILE 7 -5.585 -3.919 7.747 44 1HG1 ILE 7 1HG1 ILE 7 -6.361 -5.867 8.738 45 2HG1 ILE 7 2HG1 ILE 7 -6.935 -5.738 7.124 46 1HG2 ILE 7 1HG2 ILE 7 -4.478 -3.860 5.389 47 2HG2 ILE 7 2HG2 ILE 7 -5.050 -5.502 5.061 48 3HG2 ILE 7 3HG2 ILE 7 -6.234 -4.283 5.460 49 1HD1 ILE 7 1HD1 ILE 7 -6.324 -7.884 6.758 50 2HD1 ILE 7 2HD1 ILE 7 -4.754 -7.288 6.452 51 3HD1 ILE 7 3HD1 ILE 7 -5.068 -7.883 8.128 52 H ALA 8 H ALA 8 -2.695 -6.879 8.527 53 HA ALA 8 HA ALA 8 -0.531 -7.499 6.654 54 1HB ALA 8 1HB ALA 8 0.018 -9.314 8.136 55 2HB ALA 8 2HB ALA 8 -0.246 -7.932 9.068 56 3HB ALA 8 3HB ALA 8 -1.614 -9.164 8.994 57 H CYS 9 H CYS 9 -0.695 -8.366 4.790 58 HA CYS 9 HA CYS 9 -2.893 -10.165 3.752 59 1HB CYS 9 1HB CYS 9 -1.154 -8.013 2.433 60 2HB CYS 9 2HB CYS 9 -2.384 -8.951 1.645 61 HG CYS 9 HG CYS 9 -2.962 -6.986 4.267 62 H HIS 10 H HIS 10 -2.365 -11.874 2.814 63 HA HIS 10 HA HIS 10 0.407 -12.757 2.147 64 1HB HIS 10 1HB HIS 10 -1.438 -13.772 4.355 65 2HB HIS 10 2HB HIS 10 -0.531 -14.963 3.797 66 HD1 HIS 10 1HD HIS 10 2.159 -14.872 3.781 67 HD2 HIS 10 2HD HIS 10 -0.126 -12.263 6.289 68 HE1 HIS 10 1HE HIS 10 3.630 -14.004 5.854 69 H THR 11 H THR 11 -2.777 -13.112 1.105 70 HA THR 11 HA THR 11 -2.359 -15.566 -0.606 71 HB THR 11 HB THR 11 -4.111 -16.807 0.292 72 HG1 THR 11 1HG THR 11 -5.038 -16.140 2.355 73 1HG2 THR 11 1HG2 THR 11 -2.124 -17.334 1.340 74 2HG2 THR 11 2HG2 THR 11 -2.346 -16.044 2.571 75 3HG2 THR 11 3HG2 THR 11 -3.349 -17.436 2.682 76 H VAL 12 H VAL 12 -4.931 -16.096 -1.192 77 HA VAL 12 HA VAL 12 -5.614 -14.015 -3.065 78 HB VAL 12 HB VAL 12 -6.080 -16.370 -3.679 79 1HG1 VAL 12 1HG1 VAL 12 -8.467 -16.555 -1.803 80 2HG1 VAL 12 2HG1 VAL 12 -7.686 -17.813 -2.722 81 3HG1 VAL 12 3HG1 VAL 12 -6.866 -17.148 -1.268 82 1HG2 VAL 12 1HG2 VAL 12 -7.396 -14.541 -4.813 83 2HG2 VAL 12 2HG2 VAL 12 -8.178 -16.114 -4.847 84 3HG2 VAL 12 3HG2 VAL 12 -8.712 -14.852 -3.751 85 H ASP 13 H ASP 13 -6.288 -14.389 0.094 86 HA ASP 13 HA ASP 13 -8.882 -13.059 0.582 87 1HB ASP 13 1HB ASP 13 -6.427 -13.613 2.358 88 2HB ASP 13 2HB ASP 13 -7.804 -12.680 2.994 89 HD2 ASP 13 HD ASP 13 -6.751 -15.656 2.176 90 H THR 14 H THR 14 -5.565 -11.719 0.489 91 HA THR 14 HA THR 14 -6.253 -9.008 0.461 92 HB THR 14 HB THR 14 -3.945 -10.140 0.689 93 HG1 THR 14 1HG THR 14 -3.919 -7.666 -0.596 94 1HG2 THR 14 1HG2 THR 14 -3.720 -10.774 -1.695 95 2HG2 THR 14 2HG2 THR 14 -3.810 -8.965 -2.127 96 3HG2 THR 14 3HG2 THR 14 -2.456 -9.578 -1.155 97 H TRP 15 H TRP 15 -6.479 -11.161 -2.160 98 HA TRP 15 HA TRP 15 -6.898 -9.256 -4.403 99 1HB TRP 15 1HB TRP 15 -7.461 -12.203 -4.128 100 2HB TRP 15 2HB TRP 15 -8.429 -11.440 -5.236 101 HD1 TRP 15 HD TRP 15 -4.503 -11.970 -4.411 102 HE1 TRP 15 1HE TRP 15 -2.984 -11.843 -6.790 103 HE3 TRP 15 3HE TRP 15 -8.311 -10.638 -7.617 104 HZ2 TRP 15 2HZ TRP 15 -3.662 -11.183 -9.260 105 HZ3 TRP 15 3HZ TRP 15 -7.723 -10.006 -9.926 106 HH2 TRP 15 HH TRP 15 -5.373 -10.138 -10.746 107 H LYS 16 H LYS 16 -9.166 -10.921 -2.349 108 HA LYS 16 HA LYS 16 -11.738 -9.502 -2.938 109 1HB LYS 16 1HB LYS 16 -10.629 -11.001 -0.537 110 2HB LYS 16 2HB LYS 16 -12.300 -10.513 -0.693 111 1HG LYS 16 1HG LYS 16 -12.446 -11.662 -2.838 112 2HG LYS 16 2HG LYS 16 -10.890 -12.591 -2.443 113 1HD LYS 16 1HD LYS 16 -13.460 -12.923 -0.742 114 2HD LYS 16 2HD LYS 16 -12.925 -13.986 -1.936 115 1HE LYS 16 1HE LYS 16 -10.728 -14.388 -0.687 116 2HE LYS 16 2HE LYS 16 -11.097 -13.133 0.406 117 1HZ LYS 16 1HZ LYS 16 -11.929 -15.861 0.413 118 2HZ LYS 16 2HZ LYS 16 -11.876 -14.735 1.657 119 H GLU 17 H GLU 17 -9.099 -8.736 -0.559 120 HA GLU 17 HA GLU 17 -10.411 -6.249 0.413 121 1HB GLU 17 1HB GLU 17 -7.425 -7.187 0.759 122 2HB GLU 17 2HB GLU 17 -7.919 -5.646 1.262 123 1HG GLU 17 1HG GLU 17 -9.659 -6.848 2.881 124 2HG GLU 17 2HG GLU 17 -8.930 -8.268 2.253 125 HE2 GLU 17 HE GLU 17 -6.349 -8.251 4.359 126 H HIS 18 H HIS 18 -7.499 -6.549 -1.801 127 HA HIS 18 HA HIS 18 -7.290 -3.703 -2.207 128 1HB HIS 18 1HB HIS 18 -5.422 -5.389 -2.402 129 2HB HIS 18 2HB HIS 18 -6.326 -6.177 -3.767 130 HD1 HIS 18 1HD HIS 18 -5.942 -5.324 -6.150 131 HD2 HIS 18 2HD HIS 18 -4.340 -2.731 -3.175 132 HE1 HIS 18 1HE HIS 18 -4.628 -3.435 -7.292 133 H PHE 19 H PHE 19 -8.466 -5.987 -4.304 134 HA PHE 19 HA PHE 19 -9.421 -4.080 -6.334 135 1HB PHE 19 1HB PHE 19 -8.850 -6.840 -6.517 136 2HB PHE 19 2HB PHE 19 -10.610 -6.937 -6.529 137 HD1 PHE 19 1HD PHE 19 -11.929 -5.784 -8.523 138 HD2 PHE 19 2HD PHE 19 -7.570 -6.092 -8.505 139 HE1 PHE 19 1HE PHE 19 -11.844 -5.915 -10.932 140 HE2 PHE 19 2HE PHE 19 -7.677 -5.953 -10.975 141 HZ PHE 19 HZ PHE 19 -9.784 -6.054 -12.157 142 H GLU 20 H GLU 20 -11.142 -5.786 -3.972 143 HA GLU 20 HA GLU 20 -13.787 -4.741 -4.872 144 1HB GLU 20 1HB GLU 20 -13.814 -6.297 -2.335 145 2HB GLU 20 2HB GLU 20 -15.136 -5.799 -3.306 146 1HG GLU 20 1HG GLU 20 -13.046 -7.924 -4.186 147 2HG GLU 20 2HG GLU 20 -14.213 -8.438 -3.135 148 HE2 GLU 20 HE GLU 20 -14.990 -7.116 -6.888 149 H LYS 21 H LYS 21 -11.768 -4.002 -2.114 150 HA LYS 21 HA LYS 21 -13.426 -1.636 -1.372 151 1HB LYS 21 1HB LYS 21 -10.467 -2.051 -0.715 152 2HB LYS 21 2HB LYS 21 -11.429 -0.977 0.050 153 1HG LYS 21 1HG LYS 21 -12.074 -3.936 0.191 154 2HG LYS 21 2HG LYS 21 -11.027 -3.105 1.350 155 1HD LYS 21 1HD LYS 21 -13.212 -1.459 1.690 156 2HD LYS 21 2HD LYS 21 -13.951 -2.701 0.720 157 1HE LYS 21 1HE LYS 21 -14.773 -3.355 2.812 158 2HE LYS 21 2HE LYS 21 -13.670 -4.617 2.172 159 1HZ LYS 21 1HZ LYS 21 -12.545 -2.534 4.016 160 2HZ LYS 21 2HZ LYS 21 -13.154 -4.012 4.489 161 H GLY 22 H GLY 22 -10.518 -1.727 -3.157 162 1HA GLY 22 1HA GLY 22 -10.172 1.114 -3.927 163 2HA GLY 22 2HA GLY 22 -9.814 -0.253 -4.921 164 H LYS 23 H LYS 23 -11.531 -1.229 -6.143 165 HA LYS 23 HA LYS 23 -13.668 0.542 -7.450 166 1HB LYS 23 1HB LYS 23 -12.221 -0.939 -8.839 167 2HB LYS 23 2HB LYS 23 -12.971 -2.263 -8.083 168 1HG LYS 23 1HG LYS 23 -15.265 -0.772 -8.829 169 2HG LYS 23 2HG LYS 23 -14.149 -0.452 -10.133 170 1HD LYS 23 1HD LYS 23 -14.912 -3.222 -8.998 171 2HD LYS 23 2HD LYS 23 -15.823 -2.418 -10.208 172 1HE LYS 23 1HE LYS 23 -12.935 -3.336 -10.282 173 2HE LYS 23 2HE LYS 23 -14.228 -4.341 -11.007 174 1HZ LYS 23 1HZ LYS 23 -14.584 -2.329 -12.415 175 2HZ LYS 23 2HZ LYS 23 -13.471 -1.624 -11.849 176 H GLY 24 H GLY 24 -14.792 0.801 -5.748 177 1HA GLY 24 1HA GLY 24 -17.071 -0.615 -5.445 178 2HA GLY 24 2HA GLY 24 -16.141 -1.348 -4.182 179 H SER 25 H SER 25 -14.929 1.256 -3.693 180 HA SER 25 HA SER 25 -16.845 2.493 -1.734 181 1HB SER 25 1HB SER 25 -13.944 1.788 -0.989 182 2HB SER 25 2HB SER 25 -15.195 2.634 -0.028 183 HG SER 25 HG SER 25 -15.010 0.497 0.468 184 H GLN 26 H GLN 26 -16.886 4.594 -1.918 185 HA GLN 26 HA GLN 26 -15.140 6.418 -3.301 186 1HB GLN 26 1HB GLN 26 -17.278 6.785 -1.094 187 2HB GLN 26 2HB GLN 26 -16.300 8.085 -1.929 188 1HG GLN 26 1HG GLN 26 -18.282 8.116 -2.971 189 2HG GLN 26 2HG GLN 26 -17.238 7.428 -4.221 190 1HE2 GLN 26 1HE2 GLN 26 -17.864 5.330 -4.897 191 2HE2 GLN 26 2HE2 GLN 26 -19.473 4.545 -4.367 192 H LYS 27 H LYS 27 -13.005 5.403 -2.421 193 HA LYS 27 HA LYS 27 -11.667 7.254 -0.593 194 1HB LYS 27 1HB LYS 27 -10.639 5.642 0.729 195 2HB LYS 27 2HB LYS 27 -12.395 5.886 1.055 196 1HG LYS 27 1HG LYS 27 -13.059 3.744 0.170 197 2HG LYS 27 2HG LYS 27 -11.455 3.306 -0.340 198 1HD LYS 27 1HD LYS 27 -12.152 2.027 1.840 199 2HD LYS 27 2HD LYS 27 -10.792 3.064 2.075 200 1HE LYS 27 1HE LYS 27 -12.036 4.811 3.217 201 2HE LYS 27 2HE LYS 27 -13.656 3.981 3.006 202 1HZ LYS 27 1HZ LYS 27 -11.654 3.264 5.040 203 2HZ LYS 27 2HZ LYS 27 -13.228 2.772 4.876 204 H LEU 28 H LEU 28 -9.506 6.587 -0.467 205 HA LEU 28 HA LEU 28 -8.121 5.677 -2.939 206 1HB LEU 28 1HB LEU 28 -7.535 7.880 -2.290 207 2HB LEU 28 2HB LEU 28 -7.102 7.514 -0.629 208 HG LEU 28 HG LEU 28 -5.038 6.105 -1.675 209 1HD1 LEU 28 1HD1 LEU 28 -5.742 5.406 -3.774 210 2HD1 LEU 28 2HD1 LEU 28 -6.021 7.209 -4.126 211 3HD1 LEU 28 3HD1 LEU 28 -4.407 6.524 -3.851 212 1HD2 LEU 28 1HD2 LEU 28 -5.115 8.978 -2.575 213 2HD2 LEU 28 2HD2 LEU 28 -5.089 8.927 -0.882 214 3HD2 LEU 28 3HD2 LEU 28 -3.795 8.294 -1.978 215 H ILE 29 H ILE 29 -6.728 3.889 -2.624 216 HA ILE 29 HA ILE 29 -6.589 2.415 -0.054 217 HB ILE 29 HB ILE 29 -7.449 0.402 -0.469 218 1HG1 ILE 29 1HG1 ILE 29 -8.649 -0.226 -2.627 219 2HG1 ILE 29 2HG1 ILE 29 -7.690 0.968 -3.461 220 1HG2 ILE 29 1HG2 ILE 29 -9.798 0.793 -0.951 221 2HG2 ILE 29 2HG2 ILE 29 -9.144 2.046 0.062 222 3HG2 ILE 29 3HG2 ILE 29 -9.364 2.345 -1.642 223 1HD1 ILE 29 1HD1 ILE 29 -5.640 -0.502 -2.687 224 2HD1 ILE 29 2HD1 ILE 29 -6.802 -1.594 -2.062 225 3HD1 ILE 29 3HD1 ILE 29 -6.941 -1.210 -3.732 226 H VAL 30 H VAL 30 -4.677 1.465 0.030 227 HA VAL 30 HA VAL 30 -2.570 1.777 -2.072 228 HB VAL 30 HB VAL 30 -2.144 2.745 0.807 229 1HG1 VAL 30 1HG1 VAL 30 0.119 2.456 0.007 230 2HG1 VAL 30 2HG1 VAL 30 -0.426 2.893 -1.663 231 3HG1 VAL 30 3HG1 VAL 30 -0.160 4.151 -0.398 232 1HG2 VAL 30 1HG2 VAL 30 -2.206 5.189 -0.522 233 2HG2 VAL 30 2HG2 VAL 30 -3.133 4.212 -1.723 234 3HG2 VAL 30 3HG2 VAL 30 -3.691 4.375 0.041 235 H VAL 31 H VAL 31 -0.586 0.663 -1.609 236 HA VAL 31 HA VAL 31 -0.460 -1.527 0.301 237 HB VAL 31 HB VAL 31 -1.994 -2.807 -1.126 238 1HG1 VAL 31 1HG1 VAL 31 -0.382 -2.083 -3.473 239 2HG1 VAL 31 2HG1 VAL 31 -1.721 -3.352 -3.514 240 3HG1 VAL 31 3HG1 VAL 31 -1.942 -1.629 -3.125 241 1HG2 VAL 31 1HG2 VAL 31 -0.805 -4.815 -1.616 242 2HG2 VAL 31 2HG2 VAL 31 0.677 -4.061 -1.797 243 3HG2 VAL 31 3HG2 VAL 31 -0.171 -4.175 -0.164 244 H ASP 32 H ASP 32 1.313 -1.867 0.779 245 HA ASP 32 HA ASP 32 3.735 -1.308 -0.831 246 1HB ASP 32 1HB ASP 32 3.355 -0.709 1.900 247 2HB ASP 32 2HB ASP 32 3.694 -2.421 2.059 248 HD2 ASP 32 HD ASP 32 7.006 -1.876 0.404 249 H PHE 33 H PHE 33 4.366 -2.970 -2.167 250 HA PHE 33 HA PHE 33 4.032 -5.914 -1.643 251 1HB PHE 33 1HB PHE 33 4.884 -4.403 -4.249 252 2HB PHE 33 2HB PHE 33 4.939 -6.045 -3.879 253 HD1 PHE 33 1HD PHE 33 2.858 -7.559 -3.536 254 HD2 PHE 33 2HD PHE 33 2.490 -3.413 -4.662 255 HE1 PHE 33 1HE PHE 33 0.594 -7.911 -4.364 256 HE2 PHE 33 2HE PHE 33 0.129 -3.644 -5.176 257 HZ PHE 33 HZ PHE 33 -0.811 -6.013 -5.135 258 H THR 34 H THR 34 5.736 -6.658 -0.382 259 HA THR 34 HA THR 34 8.454 -5.600 -0.559 260 HB THR 34 HB THR 34 7.408 -3.729 0.663 261 HG1 THR 34 1HG THR 34 8.844 -5.047 2.559 262 1HG2 THR 34 1HG2 THR 34 6.859 -5.447 3.192 263 2HG2 THR 34 2HG2 THR 34 6.369 -3.806 2.812 264 3HG2 THR 34 3HG2 THR 34 5.636 -5.017 1.944 265 H ALA 35 H ALA 35 9.691 -6.907 0.370 266 HA ALA 35 HA ALA 35 8.895 -9.719 0.975 267 1HB ALA 35 1HB ALA 35 11.526 -9.707 1.044 268 2HB ALA 35 2HB ALA 35 10.750 -9.396 -0.462 269 3HB ALA 35 3HB ALA 35 11.492 -8.039 0.637 270 H SER 36 H SER 36 9.186 -10.975 2.796 271 HA SER 36 HA SER 36 9.441 -9.894 5.469 272 1HB SER 36 1HB SER 36 8.395 -12.156 5.006 273 2HB SER 36 2HB SER 36 10.084 -12.722 4.442 274 HG SER 36 HG SER 36 9.229 -11.939 7.162 275 H TRP 37 H TRP 37 11.688 -11.128 3.378 276 HA TRP 37 HA TRP 37 14.276 -10.479 4.835 277 1HB TRP 37 1HB TRP 37 15.431 -10.852 2.582 278 2HB TRP 37 2HB TRP 37 14.488 -12.205 3.276 279 HD1 TRP 37 HD TRP 37 12.521 -13.358 1.854 280 HE1 TRP 37 1HE TRP 37 11.831 -13.274 -0.494 281 HE3 TRP 37 3HE TRP 37 15.744 -9.437 0.437 282 HZ2 TRP 37 2HZ TRP 37 12.779 -11.840 -2.825 283 HZ3 TRP 37 3HZ TRP 37 16.256 -9.409 -1.913 284 HH2 TRP 37 HH TRP 37 14.683 -10.375 -3.531 285 H CYS 38 H CYS 38 12.859 -8.444 5.186 286 HA CYS 38 HA CYS 38 14.214 -6.200 3.816 287 1HB CYS 38 1HB CYS 38 11.987 -6.679 2.624 288 2HB CYS 38 2HB CYS 38 11.187 -6.148 4.079 289 HG CYS 38 HG CYS 38 12.129 -4.201 1.885 290 HA PRO 39 HA PRO 39 14.347 -4.888 8.506 291 1HB PRO 39 1HB PRO 39 16.893 -3.832 7.576 292 2HB PRO 39 2HB PRO 39 16.552 -4.967 8.916 293 1HG PRO 39 1HG PRO 39 17.814 -5.783 6.504 294 2HG PRO 39 2HG PRO 39 16.980 -6.842 7.670 295 1HD PRO 39 1HD PRO 39 16.169 -5.865 4.977 296 2HD PRO 39 2HD PRO 39 15.625 -7.258 5.938 297 HA PRO 40 HA PRO 40 14.545 -0.362 6.545 298 1HB PRO 40 1HB PRO 40 14.152 -1.167 3.658 299 2HB PRO 40 2HB PRO 40 14.979 0.311 4.337 300 1HG PRO 40 1HG PRO 40 16.409 -1.684 3.290 301 2HG PRO 40 2HG PRO 40 16.900 -0.840 4.875 302 1HD PRO 40 1HD PRO 40 15.478 -3.548 4.612 303 2HD PRO 40 2HD PRO 40 16.748 -3.149 5.740 304 H CYS 41 H CYS 41 12.392 -2.631 4.999 305 HA CYS 41 HA CYS 41 10.056 -1.017 5.634 306 1HB CYS 41 1HB CYS 41 9.775 -3.724 4.569 307 2HB CYS 41 2HB CYS 41 8.597 -2.496 4.860 308 HG CYS 41 HG CYS 41 8.924 -2.026 2.671 309 H LYS 42 H LYS 42 11.595 -3.584 7.373 310 HA LYS 42 HA LYS 42 9.537 -3.914 9.260 311 1HB LYS 42 1HB LYS 42 11.487 -5.544 8.878 312 2HB LYS 42 2HB LYS 42 12.513 -4.336 9.630 313 1HG LYS 42 1HG LYS 42 11.313 -4.763 11.825 314 2HG LYS 42 2HG LYS 42 10.300 -5.860 11.004 315 1HD LYS 42 1HD LYS 42 12.344 -7.492 10.533 316 2HD LYS 42 2HD LYS 42 13.351 -6.124 11.019 317 1HE LYS 42 1HE LYS 42 13.311 -7.997 12.585 318 2HE LYS 42 2HE LYS 42 12.809 -6.416 13.325 319 1HZ LYS 42 1HZ LYS 42 10.522 -7.044 13.143 320 2HZ LYS 42 2HZ LYS 42 11.046 -8.482 12.349 321 H MET 43 H MET 43 12.210 -1.444 9.552 322 HA MET 43 HA MET 43 10.783 0.317 11.366 323 1HB MET 43 1HB MET 43 12.260 2.125 10.821 324 2HB MET 43 2HB MET 43 13.066 0.660 11.087 325 1HG MET 43 1HG MET 43 13.413 0.187 8.734 326 2HG MET 43 2HG MET 43 12.589 1.779 8.376 327 1HE MET 43 1HE MET 43 15.426 4.117 7.987 328 2HE MET 43 2HE MET 43 14.506 2.975 6.971 329 3HE MET 43 3HE MET 43 13.619 3.940 8.192 330 H ILE 44 H ILE 44 10.450 0.416 7.818 331 HA ILE 44 HA ILE 44 8.583 2.660 7.824 332 HB ILE 44 HB ILE 44 9.947 1.410 5.770 333 1HG1 ILE 44 1HG1 ILE 44 8.946 2.966 4.243 334 2HG1 ILE 44 2HG1 ILE 44 7.846 3.450 5.596 335 1HG2 ILE 44 1HG2 ILE 44 7.148 1.038 4.740 336 2HG2 ILE 44 2HG2 ILE 44 8.756 0.472 4.063 337 3HG2 ILE 44 3HG2 ILE 44 8.001 -0.327 5.527 338 1HD1 ILE 44 1HD1 ILE 44 10.237 3.730 6.818 339 2HD1 ILE 44 2HD1 ILE 44 10.774 3.789 5.162 340 3HD1 ILE 44 3HD1 ILE 44 9.477 5.006 5.736 341 H ALA 45 H ALA 45 7.899 -0.587 8.561 342 HA ALA 45 HA ALA 45 4.957 -0.639 8.333 343 1HB ALA 45 1HB ALA 45 6.984 -2.188 9.894 344 2HB ALA 45 2HB ALA 45 5.184 -2.539 9.917 345 3HB ALA 45 3HB ALA 45 6.062 -2.734 8.375 346 HA PRO 46 HA PRO 46 4.541 1.611 12.697 347 1HB PRO 46 1HB PRO 46 7.532 2.118 12.815 348 2HB PRO 46 2HB PRO 46 6.245 2.059 14.067 349 1HG PRO 46 1HG PRO 46 7.944 -0.045 13.704 350 2HG PRO 46 2HG PRO 46 6.350 -0.311 14.013 351 1HD PRO 46 1HD PRO 46 7.753 -0.169 11.279 352 2HD PRO 46 2HD PRO 46 6.479 -1.321 11.802 353 H ILE 47 H ILE 47 6.942 2.852 10.176 354 HA ILE 47 HA ILE 47 6.086 5.591 10.432 355 HB ILE 47 HB ILE 47 7.392 4.228 8.130 356 1HG1 ILE 47 1HG1 ILE 47 8.748 4.408 10.197 357 2HG1 ILE 47 2HG1 ILE 47 9.442 5.420 8.944 358 1HG2 ILE 47 1HG2 ILE 47 6.358 5.935 6.988 359 2HG2 ILE 47 2HG2 ILE 47 6.779 7.136 8.293 360 3HG2 ILE 47 3HG2 ILE 47 8.062 6.426 7.147 361 1HD1 ILE 47 1HD1 ILE 47 9.552 6.511 11.109 362 2HD1 ILE 47 2HD1 ILE 47 8.493 7.480 9.930 363 3HD1 ILE 47 3HD1 ILE 47 7.754 6.486 11.294 364 H PHE 48 H PHE 48 5.208 3.291 8.147 365 HA PHE 48 HA PHE 48 2.943 4.510 6.694 366 1HB PHE 48 1HB PHE 48 4.304 2.345 6.081 367 2HB PHE 48 2HB PHE 48 3.459 1.475 7.299 368 HD1 PHE 48 1HD PHE 48 2.104 -0.125 6.445 369 HD2 PHE 48 2HD PHE 48 2.123 3.631 4.160 370 HE1 PHE 48 1HE PHE 48 1.041 -1.115 4.520 371 HE2 PHE 48 2HE PHE 48 1.104 2.510 2.388 372 HZ PHE 48 HZ PHE 48 0.505 0.246 2.481 373 H ALA 49 H ALA 49 2.995 3.104 9.966 374 HA ALA 49 HA ALA 49 0.086 2.887 10.416 375 1HB ALA 49 1HB ALA 49 1.569 1.139 11.387 376 2HB ALA 49 2HB ALA 49 2.239 2.420 12.405 377 3HB ALA 49 3HB ALA 49 0.477 1.973 12.495 378 H GLU 50 H GLU 50 2.876 5.087 11.471 379 HA GLU 50 HA GLU 50 1.087 7.046 12.833 380 1HB GLU 50 1HB GLU 50 3.764 6.686 12.866 381 2HB GLU 50 2HB GLU 50 3.821 7.586 11.409 382 1HG GLU 50 1HG GLU 50 2.319 8.534 14.022 383 2HG GLU 50 2HG GLU 50 4.030 8.527 14.130 384 HE2 GLU 50 HE GLU 50 2.229 11.634 12.788 385 H LEU 51 H LEU 51 2.424 7.074 9.517 386 HA LEU 51 HA LEU 51 0.880 9.126 8.345 387 1HB LEU 51 1HB LEU 51 2.630 8.101 7.329 388 2HB LEU 51 2HB LEU 51 1.960 6.495 7.311 389 HG LEU 51 HG LEU 51 2.218 7.956 5.156 390 1HD1 LEU 51 1HD1 LEU 51 -0.311 6.192 5.593 391 2HD1 LEU 51 2HD1 LEU 51 0.467 6.503 4.102 392 3HD1 LEU 51 3HD1 LEU 51 1.286 5.630 5.158 393 1HD2 LEU 51 1HD2 LEU 51 0.835 9.879 6.212 394 2HD2 LEU 51 2HD2 LEU 51 0.475 9.357 4.474 395 3HD2 LEU 51 3HD2 LEU 51 -0.607 8.791 5.831 396 H ALA 52 H ALA 52 -0.266 5.770 8.989 397 HA ALA 52 HA ALA 52 -2.793 5.852 7.603 398 1HB ALA 52 1HB ALA 52 -1.662 3.896 8.314 399 2HB ALA 52 2HB ALA 52 -2.144 4.267 10.047 400 3HB ALA 52 3HB ALA 52 -3.320 3.932 8.734 401 H LYS 53 H LYS 53 -1.879 6.474 10.968 402 HA LYS 53 HA LYS 53 -4.429 7.512 12.139 403 1HB LYS 53 1HB LYS 53 -1.578 7.847 13.171 404 2HB LYS 53 2HB LYS 53 -3.039 8.755 13.915 405 1HG LYS 53 1HG LYS 53 -4.053 6.604 14.455 406 2HG LYS 53 2HG LYS 53 -2.809 5.662 13.544 407 1HD LYS 53 1HD LYS 53 -2.121 7.319 15.954 408 2HD LYS 53 2HD LYS 53 -2.728 5.695 16.037 409 1HE LYS 53 1HE LYS 53 -0.910 4.795 14.682 410 2HE LYS 53 2HE LYS 53 -0.010 6.436 14.612 411 1HZ LYS 53 1HZ LYS 53 0.967 5.281 16.466 412 2HZ LYS 53 2HZ LYS 53 -0.145 6.167 17.179 413 H LYS 54 H LYS 54 -1.956 9.187 10.341 414 HA LYS 54 HA LYS 54 -2.823 11.975 10.845 415 1HB LYS 54 1HB LYS 54 -0.438 11.098 10.379 416 2HB LYS 54 2HB LYS 54 -1.095 10.720 8.752 417 1HG LYS 54 1HG LYS 54 -1.448 13.182 8.360 418 2HG LYS 54 2HG LYS 54 -1.113 13.609 10.059 419 1HD LYS 54 1HD LYS 54 0.917 12.345 8.262 420 2HD LYS 54 2HD LYS 54 0.633 14.162 8.446 421 1HE LYS 54 1HE LYS 54 1.538 13.944 10.819 422 2HE LYS 54 2HE LYS 54 1.615 12.156 10.558 423 1HZ LYS 54 1HZ LYS 54 3.097 14.367 9.439 424 2HZ LYS 54 2HZ LYS 54 3.829 13.152 10.076 425 H PHE 55 H PHE 55 -3.589 9.415 8.612 426 HA PHE 55 HA PHE 55 -5.241 11.084 6.639 427 1HB PHE 55 1HB PHE 55 -2.766 9.319 6.357 428 2HB PHE 55 2HB PHE 55 -3.926 9.176 5.154 429 HD1 PHE 55 1HD PHE 55 -4.867 11.810 4.116 430 HD2 PHE 55 2HD PHE 55 -1.192 11.261 6.492 431 HE1 PHE 55 1HE PHE 55 -3.964 13.658 3.080 432 HE2 PHE 55 2HE PHE 55 -0.536 13.328 5.633 433 HZ PHE 55 HZ PHE 55 -1.899 14.734 4.072 434 HA PRO 56 HA PRO 56 -8.225 7.672 7.817 435 1HB PRO 56 1HB PRO 56 -10.322 9.245 8.500 436 2HB PRO 56 2HB PRO 56 -9.084 8.784 9.551 437 1HG PRO 56 1HG PRO 56 -9.471 11.413 7.765 438 2HG PRO 56 2HG PRO 56 -9.096 11.176 9.496 439 1HD PRO 56 1HD PRO 56 -7.004 11.680 7.505 440 2HD PRO 56 2HD PRO 56 -6.776 10.844 9.106 441 H ASN 57 H ASN 57 -7.957 9.221 5.127 442 HA ASN 57 HA ASN 57 -10.601 8.837 3.967 443 1HB ASN 57 1HB ASN 57 -10.020 10.306 2.001 444 2HB ASN 57 2HB ASN 57 -9.900 11.210 3.464 445 1HD2 ASN 57 1HD2 ASN 57 -7.630 11.952 3.904 446 2HD2 ASN 57 2HD2 ASN 57 -6.525 12.010 2.532 447 H VAL 58 H VAL 58 -7.940 7.374 4.489 448 HA VAL 58 HA VAL 58 -7.835 5.758 1.976 449 HB VAL 58 HB VAL 58 -6.593 7.727 1.578 450 1HG1 VAL 58 1HG1 VAL 58 -4.973 7.520 4.342 451 2HG1 VAL 58 2HG1 VAL 58 -4.504 8.436 2.869 452 3HG1 VAL 58 3HG1 VAL 58 -6.174 8.720 3.694 453 1HG2 VAL 58 1HG2 VAL 58 -4.320 6.867 1.120 454 2HG2 VAL 58 2HG2 VAL 58 -4.787 5.388 2.034 455 3HG2 VAL 58 3HG2 VAL 58 -5.724 5.888 0.633 456 H THR 59 H THR 59 -8.097 3.649 2.423 457 HA THR 59 HA THR 59 -7.040 2.308 4.794 458 HB THR 59 HB THR 59 -7.960 1.107 2.077 459 HG1 THR 59 1HG THR 59 -9.607 0.384 3.640 460 1HG2 THR 59 1HG2 THR 59 -8.412 -1.110 3.356 461 2HG2 THR 59 2HG2 THR 59 -6.742 -0.803 2.931 462 3HG2 THR 59 3HG2 THR 59 -7.339 -0.357 4.605 463 H PHE 60 H PHE 60 -5.206 0.898 4.914 464 HA PHE 60 HA PHE 60 -3.233 0.767 2.847 465 1HB PHE 60 1HB PHE 60 -2.467 1.494 5.709 466 2HB PHE 60 2HB PHE 60 -1.408 1.174 4.606 467 HD1 PHE 60 1HD PHE 60 -1.057 3.000 2.654 468 HD2 PHE 60 2HD PHE 60 -3.779 3.464 5.859 469 HE1 PHE 60 1HE PHE 60 -1.199 5.364 2.102 470 HE2 PHE 60 2HE PHE 60 -3.826 5.855 5.483 471 HZ PHE 60 HZ PHE 60 -2.772 6.782 3.510 472 H LEU 61 H LEU 61 -2.366 -1.050 2.459 473 HA LEU 61 HA LEU 61 -2.566 -3.314 4.345 474 1HB LEU 61 1HB LEU 61 -3.825 -4.652 2.949 475 2HB LEU 61 2HB LEU 61 -4.502 -3.085 3.046 476 HG LEU 61 HG LEU 61 -3.284 -2.826 0.531 477 1HD1 LEU 61 1HD1 LEU 61 -3.388 -5.807 0.647 478 2HD1 LEU 61 2HD1 LEU 61 -2.957 -4.834 -0.672 479 3HD1 LEU 61 3HD1 LEU 61 -1.906 -5.030 0.719 480 1HD2 LEU 61 1HD2 LEU 61 -5.740 -3.015 0.855 481 2HD2 LEU 61 2HD2 LEU 61 -5.132 -3.850 -0.493 482 3HD2 LEU 61 3HD2 LEU 61 -5.579 -4.809 0.851 483 H LYS 62 H LYS 62 -1.198 -5.108 3.673 484 HA LYS 62 HA LYS 62 1.431 -4.268 2.429 485 1HB LYS 62 1HB LYS 62 2.816 -4.805 4.437 486 2HB LYS 62 2HB LYS 62 2.054 -3.324 4.557 487 1HG LYS 62 1HG LYS 62 0.347 -4.444 6.188 488 2HG LYS 62 2HG LYS 62 1.146 -5.945 6.050 489 1HD LYS 62 1HD LYS 62 3.266 -4.962 6.982 490 2HD LYS 62 2HD LYS 62 2.531 -3.399 7.248 491 1HE LYS 62 1HE LYS 62 0.892 -4.667 8.795 492 2HE LYS 62 2HE LYS 62 1.612 -6.137 8.439 493 1HZ LYS 62 1HZ LYS 62 2.820 -3.767 9.816 494 2HZ LYS 62 2HZ LYS 62 3.721 -4.821 9.090 495 H VAL 63 H VAL 63 1.385 -5.649 1.249 496 HA VAL 63 HA VAL 63 1.100 -8.632 1.484 497 HB VAL 63 HB VAL 63 1.945 -6.970 -0.835 498 1HG1 VAL 63 1HG1 VAL 63 1.593 -9.032 -2.180 499 2HG1 VAL 63 2HG1 VAL 63 3.143 -8.874 -1.551 500 3HG1 VAL 63 3HG1 VAL 63 2.010 -10.025 -0.663 501 1HG2 VAL 63 1HG2 VAL 63 -0.569 -7.011 -0.173 502 2HG2 VAL 63 2HG2 VAL 63 -0.217 -7.504 -1.726 503 3HG2 VAL 63 3HG2 VAL 63 -0.544 -8.701 -0.294 504 H ASP 64 H ASP 64 2.465 -9.814 2.422 505 HA ASP 64 HA ASP 64 5.421 -9.609 2.271 506 1HB ASP 64 1HB ASP 64 4.676 -10.710 4.130 507 2HB ASP 64 2HB ASP 64 3.665 -11.876 3.224 508 HD2 ASP 64 HD ASP 64 6.245 -14.028 4.043 509 H VAL 65 H VAL 65 5.982 -9.735 0.260 510 HA VAL 65 HA VAL 65 4.717 -10.943 -2.060 511 HB VAL 65 HB VAL 65 5.922 -8.712 -1.709 512 1HG1 VAL 65 1HG1 VAL 65 8.262 -8.521 -1.845 513 2HG1 VAL 65 2HG1 VAL 65 8.341 -10.168 -1.302 514 3HG1 VAL 65 3HG1 VAL 65 8.442 -9.863 -2.997 515 1HG2 VAL 65 1HG2 VAL 65 6.248 -10.477 -4.141 516 2HG2 VAL 65 2HG2 VAL 65 4.955 -9.210 -3.868 517 3HG2 VAL 65 3HG2 VAL 65 6.638 -8.753 -4.194 518 H ASP 66 H ASP 66 7.009 -12.511 -0.004 519 HA ASP 66 HA ASP 66 7.942 -14.505 -1.756 520 1HB ASP 66 1HB ASP 66 6.821 -14.936 1.101 521 2HB ASP 66 2HB ASP 66 7.825 -16.130 0.176 522 HD2 ASP 66 HD ASP 66 9.711 -14.486 2.683 523 H GLU 67 H GLU 67 4.690 -15.020 0.010 524 HA GLU 67 HA GLU 67 3.604 -16.993 -1.732 525 1HB GLU 67 1HB GLU 67 2.506 -14.731 0.131 526 2HB GLU 67 2HB GLU 67 1.427 -15.938 -0.631 527 1HG GLU 67 1HG GLU 67 3.773 -16.840 1.324 528 2HG GLU 67 2HG GLU 67 2.160 -16.290 1.712 529 HE2 GLU 67 HE GLU 67 2.700 -19.924 0.300 530 H LEU 68 H LEU 68 3.970 -13.586 -2.686 531 HA LEU 68 HA LEU 68 1.857 -13.565 -4.864 532 1HB LEU 68 1HB LEU 68 1.847 -11.666 -2.353 533 2HB LEU 68 2HB LEU 68 0.814 -11.511 -3.773 534 HG LEU 68 HG LEU 68 0.609 -13.742 -1.712 535 1HD1 LEU 68 1HD1 LEU 68 -1.742 -12.253 -1.410 536 2HD1 LEU 68 2HD1 LEU 68 -0.198 -11.514 -0.894 537 3HD1 LEU 68 3HD1 LEU 68 -0.904 -11.057 -2.445 538 1HD2 LEU 68 1HD2 LEU 68 -0.182 -14.478 -3.969 539 2HD2 LEU 68 2HD2 LEU 68 -1.435 -14.372 -2.726 540 3HD2 LEU 68 3HD2 LEU 68 -1.261 -13.035 -4.030 541 H LYS 69 H LYS 69 4.363 -13.573 -5.095 542 HA LYS 69 HA LYS 69 5.494 -11.034 -6.321 543 1HB LYS 69 1HB LYS 69 7.312 -12.325 -7.174 544 2HB LYS 69 2HB LYS 69 7.071 -12.611 -5.580 545 1HG LYS 69 1HG LYS 69 5.916 -14.815 -6.058 546 2HG LYS 69 2HG LYS 69 6.174 -14.491 -7.807 547 1HD LYS 69 1HD LYS 69 8.660 -14.375 -7.466 548 2HD LYS 69 2HD LYS 69 8.350 -14.713 -5.747 549 1HE LYS 69 1HE LYS 69 7.437 -16.550 -8.015 550 2HE LYS 69 2HE LYS 69 9.131 -16.643 -7.433 551 1HZ LYS 69 1HZ LYS 69 8.265 -18.088 -5.912 552 2HZ LYS 69 2HZ LYS 69 7.639 -16.828 -5.072 553 H ALA 70 H ALA 70 3.541 -13.678 -7.853 554 HA ALA 70 HA ALA 70 3.889 -12.891 -10.597 555 1HB ALA 70 1HB ALA 70 1.756 -14.255 -11.213 556 2HB ALA 70 2HB ALA 70 2.800 -15.123 -10.053 557 3HB ALA 70 3HB ALA 70 1.400 -14.423 -9.553 558 H VAL 71 H VAL 71 1.143 -12.158 -8.435 559 HA VAL 71 HA VAL 71 0.047 -10.059 -9.949 560 HB VAL 71 HB VAL 71 -1.149 -11.364 -8.106 561 1HG1 VAL 71 1HG1 VAL 71 -0.908 -11.084 -5.864 562 2HG1 VAL 71 2HG1 VAL 71 0.685 -11.298 -6.351 563 3HG1 VAL 71 3HG1 VAL 71 0.135 -9.660 -6.162 564 1HG2 VAL 71 1HG2 VAL 71 -2.448 -9.363 -7.236 565 2HG2 VAL 71 2HG2 VAL 71 -1.097 -8.371 -7.615 566 3HG2 VAL 71 3HG2 VAL 71 -1.950 -8.985 -8.957 567 H ALA 72 H ALA 72 2.474 -9.712 -7.200 568 HA ALA 72 HA ALA 72 2.671 -6.952 -6.962 569 1HB ALA 72 1HB ALA 72 4.986 -7.285 -6.241 570 2HB ALA 72 2HB ALA 72 3.937 -8.659 -5.759 571 3HB ALA 72 3HB ALA 72 5.027 -8.864 -7.049 572 H GLU 73 H GLU 73 4.194 -8.961 -9.185 573 HA GLU 73 HA GLU 73 5.741 -7.013 -10.711 574 1HB GLU 73 1HB GLU 73 4.919 -9.927 -11.681 575 2HB GLU 73 2HB GLU 73 5.960 -8.795 -12.485 576 1HG GLU 73 1HG GLU 73 7.629 -8.743 -10.938 577 2HG GLU 73 2HG GLU 73 6.763 -9.552 -9.630 578 HE2 GLU 73 HE GLU 73 8.404 -11.982 -12.391 579 H GLU 74 H GLU 74 2.377 -8.504 -11.207 580 HA GLU 74 HA GLU 74 1.958 -7.574 -13.989 581 1HB GLU 74 1HB GLU 74 0.037 -8.502 -14.078 582 2HB GLU 74 2HB GLU 74 0.806 -9.522 -12.854 583 1HG GLU 74 1HG GLU 74 -0.696 -8.635 -11.112 584 2HG GLU 74 2HG GLU 74 -1.338 -7.414 -12.147 585 HE2 GLU 74 HE GLU 74 -2.436 -8.445 -13.847 586 H TRP 75 H TRP 75 1.032 -6.000 -10.645 587 HA TRP 75 HA TRP 75 -0.193 -3.602 -11.915 588 1HB TRP 75 1HB TRP 75 0.728 -3.651 -9.054 589 2HB TRP 75 2HB TRP 75 -0.539 -2.688 -9.896 590 HD1 TRP 75 HD TRP 75 -0.199 -4.740 -7.321 591 HE1 TRP 75 1HE TRP 75 -2.287 -6.511 -6.732 592 HE3 TRP 75 3HE TRP 75 -2.535 -4.594 -11.818 593 HZ2 TRP 75 2HZ TRP 75 -4.217 -7.599 -8.111 594 HZ3 TRP 75 3HZ TRP 75 -4.656 -6.053 -12.153 595 HH2 TRP 75 HH TRP 75 -5.536 -7.312 -10.338 596 H ASN 76 H ASN 76 2.877 -4.409 -10.573 597 HA ASN 76 HA ASN 76 4.457 -3.977 -12.516 598 1HB ASN 76 1HB ASN 76 3.359 -2.086 -13.430 599 2HB ASN 76 2HB ASN 76 4.037 -1.092 -12.164 600 1HD2 ASN 76 1HD2 ASN 76 6.426 -0.692 -12.558 601 2HD2 ASN 76 2HD2 ASN 76 7.330 -1.300 -14.008 602 H VAL 77 H VAL 77 5.603 -5.071 -10.757 603 HA VAL 77 HA VAL 77 7.452 -3.402 -9.184 604 HB VAL 77 HB VAL 77 5.930 -5.864 -8.145 605 1HG1 VAL 77 1HG1 VAL 77 7.703 -3.948 -6.462 606 2HG1 VAL 77 2HG1 VAL 77 6.868 -5.342 -5.832 607 3HG1 VAL 77 3HG1 VAL 77 8.123 -5.599 -6.983 608 1HG2 VAL 77 1HG2 VAL 77 5.531 -2.851 -7.518 609 2HG2 VAL 77 2HG2 VAL 77 4.281 -3.890 -8.174 610 3HG2 VAL 77 3HG2 VAL 77 4.757 -4.160 -6.545 611 H GLU 78 H GLU 78 8.655 -3.985 -11.031 612 HA GLU 78 HA GLU 78 10.420 -6.302 -10.910 613 1HB GLU 78 1HB GLU 78 11.975 -4.992 -12.210 614 2HB GLU 78 2HB GLU 78 10.229 -4.922 -12.876 615 1HG GLU 78 1HG GLU 78 10.974 -2.782 -13.285 616 2HG GLU 78 2HG GLU 78 9.808 -2.655 -12.001 617 HE2 GLU 78 HE GLU 78 13.111 -2.959 -12.290 618 H ALA 79 H ALA 79 9.981 -4.344 -8.350 619 HA ALA 79 HA ALA 79 12.731 -4.828 -7.205 620 1HB ALA 79 1HB ALA 79 13.225 -2.339 -6.818 621 2HB ALA 79 2HB ALA 79 13.133 -2.882 -8.533 622 3HB ALA 79 3HB ALA 79 11.710 -1.953 -7.806 623 H MET 80 H MET 80 12.834 -4.678 -5.306 624 HA MET 80 HA MET 80 10.702 -4.257 -3.203 625 1HB MET 80 1HB MET 80 13.270 -5.661 -2.897 626 2HB MET 80 2HB MET 80 12.629 -4.849 -1.599 627 1HG MET 80 1HG MET 80 11.895 -7.193 -1.799 628 2HG MET 80 2HG MET 80 10.633 -6.050 -1.754 629 1HE MET 80 1HE MET 80 8.576 -6.332 -3.012 630 2HE MET 80 2HE MET 80 9.013 -5.197 -4.314 631 3HE MET 80 3HE MET 80 8.320 -6.795 -4.654 632 HA PRO 81 HA PRO 81 9.574 -2.738 -3.046 633 1HB PRO 81 1HB PRO 81 9.415 -2.298 -0.342 634 2HB PRO 81 2HB PRO 81 10.621 -3.333 -1.048 635 1HG PRO 81 2HG PRO 81 10.667 -0.321 -0.091 636 2HG PRO 81 1HG PRO 81 11.879 -1.643 0.174 637 1HD PRO 81 1HD PRO 81 11.849 0.310 -2.058 638 2HD PRO 81 2HD PRO 81 13.169 -0.810 -1.640 639 H THR 82 H THR 82 7.825 -2.207 -3.297 640 HA THR 82 HA THR 82 7.385 0.524 -4.014 641 HB THR 82 HB THR 82 6.799 -2.136 -5.408 642 HG1 THR 82 1HG THR 82 8.688 -1.782 -6.115 643 1HG2 THR 82 1HG2 THR 82 6.608 -0.514 -7.471 644 2HG2 THR 82 2HG2 THR 82 5.373 -0.488 -6.277 645 3HG2 THR 82 3HG2 THR 82 6.395 0.853 -6.450 646 H PHE 83 H PHE 83 5.586 1.350 -3.980 647 HA PHE 83 HA PHE 83 3.239 0.506 -2.359 648 1HB PHE 83 1HB PHE 83 4.500 3.402 -2.874 649 2HB PHE 83 2HB PHE 83 3.068 3.057 -1.985 650 HD1 PHE 83 1HD PHE 83 6.785 2.753 -1.637 651 HD2 PHE 83 2HD PHE 83 2.853 2.291 0.170 652 HE1 PHE 83 1HE PHE 83 7.745 2.554 0.466 653 HE2 PHE 83 2HE PHE 83 3.963 1.927 2.470 654 HZ PHE 83 HZ PHE 83 6.431 2.118 2.612 655 H ILE 84 H ILE 84 1.422 0.637 -3.525 656 HA ILE 84 HA ILE 84 1.155 1.764 -6.347 657 HB ILE 84 HB ILE 84 1.028 -1.029 -5.339 658 1HG1 ILE 84 1HG1 ILE 84 1.135 -0.570 -8.374 659 2HG1 ILE 84 2HG1 ILE 84 2.259 0.440 -7.509 660 1HG2 ILE 84 1HG2 ILE 84 -1.258 -0.202 -7.232 661 2HG2 ILE 84 2HG2 ILE 84 -0.526 -1.755 -6.944 662 3HG2 ILE 84 3HG2 ILE 84 -1.343 -1.036 -5.555 663 1HD1 ILE 84 1HD1 ILE 84 3.161 -1.815 -6.352 664 2HD1 ILE 84 2HD1 ILE 84 2.056 -2.666 -7.553 665 3HD1 ILE 84 3HD1 ILE 84 3.421 -1.671 -8.149 666 H PHE 85 H PHE 85 -0.927 2.498 -6.765 667 HA PHE 85 HA PHE 85 -2.556 3.361 -4.400 668 1HB PHE 85 1HB PHE 85 -1.394 5.143 -6.586 669 2HB PHE 85 2HB PHE 85 -2.578 5.540 -5.256 670 HD1 PHE 85 1HD PHE 85 1.075 4.842 -5.749 671 HD2 PHE 85 2HD PHE 85 -1.999 6.311 -3.112 672 HE1 PHE 85 1HE PHE 85 2.772 5.116 -4.111 673 HE2 PHE 85 2HE PHE 85 -0.404 6.767 -1.522 674 HZ PHE 85 HZ PHE 85 2.144 6.048 -1.883 675 H LEU 86 H LEU 86 -4.522 2.745 -4.839 676 HA LEU 86 HA LEU 86 -5.789 2.573 -7.602 677 1HB LEU 86 1HB LEU 86 -5.066 0.405 -5.870 678 2HB LEU 86 2HB LEU 86 -6.616 0.946 -5.154 679 HG LEU 86 HG LEU 86 -7.020 -0.970 -6.534 680 1HD1 LEU 86 1HD1 LEU 86 -8.770 -0.203 -7.950 681 2HD1 LEU 86 2HD1 LEU 86 -8.798 0.794 -6.659 682 3HD1 LEU 86 3HD1 LEU 86 -7.898 1.262 -8.140 683 1HD2 LEU 86 1HD2 LEU 86 -6.182 -1.163 -8.815 684 2HD2 LEU 86 2HD2 LEU 86 -5.658 0.528 -8.895 685 3HD2 LEU 86 3HD2 LEU 86 -4.823 -0.520 -7.784 686 H LYS 87 H LYS 87 -7.249 3.736 -7.700 687 HA LYS 87 HA LYS 87 -8.702 5.314 -5.616 688 1HB LYS 87 1HB LYS 87 -7.725 6.041 -8.198 689 2HB LYS 87 2HB LYS 87 -9.202 5.731 -8.622 690 1HG LYS 87 1HG LYS 87 -9.253 8.045 -8.193 691 2HG LYS 87 2HG LYS 87 -10.159 7.460 -6.847 692 1HD LYS 87 1HD LYS 87 -8.046 7.466 -5.185 693 2HD LYS 87 2HD LYS 87 -7.114 8.094 -6.469 694 1HE LYS 87 1HE LYS 87 -8.865 9.997 -6.773 695 2HE LYS 87 2HE LYS 87 -9.438 9.285 -5.202 696 1HZ LYS 87 1HZ LYS 87 -7.076 9.589 -4.498 697 2HZ LYS 87 2HZ LYS 87 -7.007 10.778 -5.549 698 H ASP 88 H ASP 88 -11.176 4.917 -5.426 699 HA ASP 88 HA ASP 88 -12.778 3.413 -7.201 700 1HB ASP 88 1HB ASP 88 -14.791 4.578 -6.604 701 2HB ASP 88 2HB ASP 88 -13.623 4.378 -5.283 702 HD2 ASP 88 HD ASP 88 -12.892 7.757 -4.890 703 H GLY 89 H GLY 89 -11.104 4.001 -8.866 704 1HA GLY 89 1HA GLY 89 -12.394 4.658 -11.403 705 2HA GLY 89 2HA GLY 89 -11.465 6.030 -10.896 706 H LYS 90 H LYS 90 -10.489 2.730 -10.284 707 HA LYS 90 HA LYS 90 -8.827 1.084 -11.121 708 1HB LYS 90 1HB LYS 90 -8.709 2.655 -13.651 709 2HB LYS 90 2HB LYS 90 -7.693 1.287 -13.276 710 1HG LYS 90 1HG LYS 90 -9.594 0.411 -14.557 711 2HG LYS 90 2HG LYS 90 -9.845 -0.131 -12.868 712 1HD LYS 90 1HD LYS 90 -11.610 1.953 -12.944 713 2HD LYS 90 2HD LYS 90 -11.435 1.944 -14.739 714 1HE LYS 90 1HE LYS 90 -11.805 -0.469 -14.789 715 2HE LYS 90 2HE LYS 90 -12.323 -0.433 -13.181 716 1HZ LYS 90 1HZ LYS 90 -13.702 1.142 -15.257 717 2HZ LYS 90 2HZ LYS 90 -14.075 1.202 -13.732 718 H LEU 91 H LEU 91 -6.644 1.147 -12.060 719 HA LEU 91 HA LEU 91 -4.777 1.921 -10.033 720 1HB LEU 91 1HB LEU 91 -4.744 -0.137 -11.545 721 2HB LEU 91 2HB LEU 91 -4.253 1.006 -12.907 722 HG LEU 91 HG LEU 91 -2.179 1.788 -11.714 723 1HD1 LEU 91 1HD1 LEU 91 -2.964 0.826 -9.405 724 2HD1 LEU 91 2HD1 LEU 91 -2.523 -0.779 -10.027 725 3HD1 LEU 91 3HD1 LEU 91 -1.223 0.554 -9.710 726 1HD2 LEU 91 1HD2 LEU 91 -0.826 -0.095 -12.440 727 2HD2 LEU 91 2HD2 LEU 91 -2.268 -1.068 -12.411 728 3HD2 LEU 91 3HD2 LEU 91 -2.222 0.208 -13.617 729 H VAL 92 H VAL 92 -4.517 4.020 -9.604 730 HA VAL 92 HA VAL 92 -4.115 6.138 -11.580 731 HB VAL 92 HB VAL 92 -4.043 7.677 -9.908 732 1HG1 VAL 92 1HG1 VAL 92 -6.616 6.119 -10.065 733 2HG1 VAL 92 2HG1 VAL 92 -6.449 7.640 -9.281 734 3HG1 VAL 92 3HG1 VAL 92 -5.880 7.564 -11.035 735 1HG2 VAL 92 1HG2 VAL 92 -4.703 5.543 -7.731 736 2HG2 VAL 92 2HG2 VAL 92 -3.307 6.655 -7.582 737 3HG2 VAL 92 3HG2 VAL 92 -4.911 7.268 -7.459 738 H ASP 93 H ASP 93 -1.869 4.812 -8.950 739 HA ASP 93 HA ASP 93 0.532 5.643 -10.583 740 1HB ASP 93 1HB ASP 93 -0.760 7.918 -9.633 741 2HB ASP 93 2HB ASP 93 0.131 7.468 -8.231 742 HD2 ASP 93 HD ASP 93 0.469 8.570 -11.204 743 H LYS 94 H LYS 94 2.547 5.902 -8.966 744 HA LYS 94 HA LYS 94 2.750 3.947 -6.952 745 1HB LYS 94 1HB LYS 94 4.203 2.317 -8.166 746 2HB LYS 94 2HB LYS 94 2.474 2.204 -8.583 747 1HG LYS 94 1HG LYS 94 2.969 3.441 -10.701 748 2HG LYS 94 2HG LYS 94 4.716 3.439 -10.248 749 1HD LYS 94 1HD LYS 94 4.934 1.098 -10.389 750 2HD LYS 94 2HD LYS 94 3.224 0.713 -10.515 751 1HE LYS 94 1HE LYS 94 4.540 2.631 -12.774 752 2HE LYS 94 2HE LYS 94 4.973 1.027 -12.769 753 1HZ LYS 94 1HZ LYS 94 3.149 0.389 -13.747 754 2HZ LYS 94 2HZ LYS 94 2.748 2.003 -13.857 755 H THR 95 H THR 95 5.117 3.386 -6.277 756 HA THR 95 HA THR 95 7.199 5.165 -7.185 757 HB THR 95 HB THR 95 5.753 6.172 -4.749 758 HG1 THR 95 1HG THR 95 5.126 7.368 -6.303 759 1HG2 THR 95 1HG2 THR 95 8.151 6.328 -3.868 760 2HG2 THR 95 2HG2 THR 95 8.726 6.483 -5.558 761 3HG2 THR 95 3HG2 THR 95 7.958 7.851 -4.745 762 H VAL 96 H VAL 96 8.779 4.117 -6.773 763 HA VAL 96 HA VAL 96 8.933 1.985 -4.820 764 HB VAL 96 HB VAL 96 8.998 1.068 -6.966 765 1HG1 VAL 96 1HG1 VAL 96 11.021 3.143 -7.927 766 2HG1 VAL 96 2HG1 VAL 96 10.271 1.728 -8.784 767 3HG1 VAL 96 3HG1 VAL 96 9.285 3.104 -8.351 768 1HG2 VAL 96 1HG2 VAL 96 10.730 0.027 -5.684 769 2HG2 VAL 96 2HG2 VAL 96 10.994 -0.086 -7.437 770 3HG2 VAL 96 3HG2 VAL 96 11.931 0.989 -6.457 771 H GLY 97 H GLY 97 10.089 2.256 -3.072 772 1HA GLY 97 1HA GLY 97 12.582 2.920 -2.563 773 2HA GLY 97 2HA GLY 97 12.001 4.613 -2.447 774 H ALA 98 H ALA 98 12.346 4.873 -0.169 775 HA ALA 98 HA ALA 98 10.856 3.549 1.924 776 1HB ALA 98 1HB ALA 98 13.629 2.352 1.726 777 2HB ALA 98 2HB ALA 98 12.743 2.484 3.184 778 3HB ALA 98 3HB ALA 98 12.134 1.465 1.743 779 H ASP 99 H ASP 99 10.665 5.565 2.620 780 HA ASP 99 HA ASP 99 13.012 6.839 3.957 781 1HB ASP 99 1HB ASP 99 12.949 7.643 1.485 782 2HB ASP 99 2HB ASP 99 11.363 8.428 1.777 783 HD2 ASP 99 HD ASP 99 14.690 9.907 3.694 784 H LYS 100 H LYS 100 12.401 8.121 5.623 785 HA LYS 100 HA LYS 100 10.005 7.411 7.148 786 1HB LYS 100 1HB LYS 100 10.983 8.686 8.869 787 2HB LYS 100 2HB LYS 100 12.145 7.564 8.159 788 1HG LYS 100 1HG LYS 100 13.227 9.617 7.012 789 2HG LYS 100 2HG LYS 100 12.165 10.514 8.204 790 1HD LYS 100 1HD LYS 100 13.377 9.325 10.027 791 2HD LYS 100 2HD LYS 100 14.286 8.415 8.923 792 1HE LYS 100 1HE LYS 100 15.154 10.799 8.137 793 2HE LYS 100 2HE LYS 100 14.245 11.535 9.377 794 1HZ LYS 100 1HZ LYS 100 15.597 9.826 10.849 795 2HZ LYS 100 2HZ LYS 100 16.618 9.499 9.652 796 H ASP 101 H ASP 101 10.951 10.607 6.085 797 HA ASP 101 HA ASP 101 8.271 11.771 6.391 798 1HB ASP 101 1HB ASP 101 9.320 13.875 5.329 799 2HB ASP 101 2HB ASP 101 9.826 13.518 6.832 800 HD2 ASP 101 HD ASP 101 12.163 14.080 3.742 801 H GLY 102 H GLY 102 10.449 10.799 3.804 802 1HA GLY 102 1HA GLY 102 9.360 11.656 1.437 803 2HA GLY 102 2HA GLY 102 10.056 10.103 1.567 804 H LEU 103 H LEU 103 8.324 8.487 2.882 805 HA LEU 103 HA LEU 103 6.039 8.026 1.236 806 1HB LEU 103 1HB LEU 103 7.100 6.037 2.280 807 2HB LEU 103 2HB LEU 103 6.794 6.904 3.855 808 HG LEU 103 HG LEU 103 4.321 6.827 3.357 809 1HD1 LEU 103 1HD1 LEU 103 3.666 4.739 1.968 810 2HD1 LEU 103 2HD1 LEU 103 3.899 6.300 1.100 811 3HD1 LEU 103 3HD1 LEU 103 5.116 4.964 1.143 812 1HD2 LEU 103 1HD2 LEU 103 4.310 4.319 4.273 813 2HD2 LEU 103 2HD2 LEU 103 6.035 4.302 4.000 814 3HD2 LEU 103 3HD2 LEU 103 5.334 5.289 5.199 815 HA PRO 104 HA PRO 104 2.959 10.547 4.427 816 1HB PRO 104 1HB PRO 104 5.052 12.251 5.619 817 2HB PRO 104 2HB PRO 104 3.740 11.572 6.372 818 1HG PRO 104 1HG PRO 104 5.872 10.385 7.086 819 2HG PRO 104 2HG PRO 104 4.579 9.424 6.705 820 1HD PRO 104 1HD PRO 104 6.906 9.603 4.952 821 2HD PRO 104 2HD PRO 104 5.704 8.322 5.294 822 H THR 105 H THR 105 5.741 11.783 2.752 823 HA THR 105 HA THR 105 4.533 14.414 1.889 824 HB THR 105 HB THR 105 6.957 12.901 0.659 825 HG1 THR 105 1HG THR 105 7.023 13.534 2.935 826 1HG2 THR 105 1HG2 THR 105 6.162 14.818 -0.797 827 2HG2 THR 105 2HG2 THR 105 6.164 15.929 0.584 828 3HG2 THR 105 3HG2 THR 105 7.757 15.167 0.102 829 H LEU 106 H LEU 106 5.411 11.471 0.186 830 HA LEU 106 HA LEU 106 4.271 11.805 -2.241 831 1HB LEU 106 1HB LEU 106 5.806 9.965 -1.897 832 2HB LEU 106 2HB LEU 106 4.843 9.403 -0.514 833 HG LEU 106 HG LEU 106 3.088 8.844 -2.411 834 1HD1 LEU 106 1HD1 LEU 106 4.291 8.262 -4.699 835 2HD1 LEU 106 2HD1 LEU 106 4.093 10.020 -4.429 836 3HD1 LEU 106 3HD1 LEU 106 5.679 9.281 -4.077 837 1HD2 LEU 106 1HD2 LEU 106 4.255 6.476 -2.823 838 2HD2 LEU 106 2HD2 LEU 106 5.726 7.191 -2.430 839 3HD2 LEU 106 3HD2 LEU 106 4.696 7.223 -1.174 840 H VAL 107 H VAL 107 2.840 10.031 0.468 841 HA VAL 107 HA VAL 107 0.170 9.438 -0.674 842 HB VAL 107 HB VAL 107 1.195 9.408 2.266 843 1HG1 VAL 107 1HG1 VAL 107 -1.258 9.774 2.446 844 2HG1 VAL 107 2HG1 VAL 107 -1.622 8.488 1.353 845 3HG1 VAL 107 3HG1 VAL 107 -0.794 7.962 2.797 846 1HG2 VAL 107 1HG2 VAL 107 1.455 6.914 1.993 847 2HG2 VAL 107 2HG2 VAL 107 0.447 6.976 0.418 848 3HG2 VAL 107 3HG2 VAL 107 2.126 7.715 0.413 849 H ALA 108 H ALA 108 1.151 12.006 1.767 850 HA ALA 108 HA ALA 108 -1.220 13.469 1.806 851 1HB ALA 108 1HB ALA 108 -0.021 15.400 2.303 852 2HB ALA 108 2HB ALA 108 0.881 13.970 3.076 853 3HB ALA 108 3HB ALA 108 1.585 14.692 1.693 854 H LYS 109 H LYS 109 1.329 13.925 -0.595 855 HA LYS 109 HA LYS 109 -0.057 15.583 -2.455 856 1HB LYS 109 1HB LYS 109 2.341 13.776 -2.942 857 2HB LYS 109 2HB LYS 109 1.464 14.636 -4.153 858 1HG LYS 109 1HG LYS 109 2.123 16.713 -2.945 859 2HG LYS 109 2HG LYS 109 2.682 15.885 -1.506 860 1HD LYS 109 1HD LYS 109 4.480 14.904 -2.456 861 2HD LYS 109 2HD LYS 109 4.181 15.574 -4.123 862 1HE LYS 109 1HE LYS 109 4.370 17.951 -2.805 863 2HE LYS 109 2HE LYS 109 4.964 16.974 -1.510 864 1HZ LYS 109 1HZ LYS 109 6.900 16.402 -2.850 865 2HZ LYS 109 2HZ LYS 109 6.320 17.042 -4.119 866 H HIS 110 H HIS 110 -0.402 12.032 -2.306 867 HA HIS 110 HA HIS 110 -1.991 11.913 -4.774 868 1HB HIS 110 1HB HIS 110 -1.231 9.756 -2.624 869 2HB HIS 110 2HB HIS 110 -2.428 9.508 -3.857 870 HD1 HIS 110 1HD HIS 110 -1.018 10.696 -6.519 871 HD2 HIS 110 2HD HIS 110 1.108 8.822 -3.305 872 HE1 HIS 110 1HE HIS 110 1.137 9.968 -7.355 873 H ALA 111 H ALA 111 -2.665 11.752 -1.426 874 HA ALA 111 HA ALA 111 -5.533 11.271 -1.507 875 1HB ALA 111 1HB ALA 111 -5.592 11.458 0.849 876 2HB ALA 111 2HB ALA 111 -4.173 10.463 0.292 877 3HB ALA 111 3HB ALA 111 -3.876 12.073 0.940 878 H THR 112 H THR 112 -3.819 14.205 -0.711 879 HA THR 112 HA THR 112 -5.949 16.164 -0.486 880 HB THR 112 HB THR 112 -3.139 16.784 -1.219 881 HG1 THR 112 1HG THR 112 -3.059 15.695 0.771 882 1HG2 THR 112 1HG2 THR 112 -4.217 18.863 -1.630 883 2HG2 THR 112 2HG2 THR 112 -5.161 18.827 -0.101 884 3HG2 THR 112 3HG2 THR 112 -3.371 18.867 -0.069 885 H ALA 113 H ALA 113 -4.060 15.403 -3.494 886 HA ALA 113 HA ALA 113 -6.002 16.750 -5.321 887 1HB ALA 113 1HB ALA 113 -3.849 14.557 -5.794 888 2HB ALA 113 2HB ALA 113 -4.503 15.399 -7.183 889 3HB ALA 113 3HB ALA 113 -3.420 16.262 -6.008 890 HXT ALA 113 HO ALA 113 -8.101 14.333 -6.459 Start of MODEL 10 1 1H ALA 1 1H ALA 1 -11.440 9.748 17.493 2 2H ALA 1 2H ALA 1 -10.151 9.589 18.594 3 HA ALA 1 HA ALA 1 -8.884 8.432 17.070 4 1HB ALA 1 1HB ALA 1 -10.369 6.327 17.160 5 2HB ALA 1 2HB ALA 1 -10.257 6.957 18.668 6 3HB ALA 1 3HB ALA 1 -11.710 7.170 17.650 7 H GLU 2 H GLU 2 -8.433 8.716 14.910 8 HA GLU 2 HA GLU 2 -10.569 8.967 12.696 9 1HB GLU 2 1HB GLU 2 -10.484 11.279 13.820 10 2HB GLU 2 2HB GLU 2 -8.712 11.139 13.963 11 1HG GLU 2 1HG GLU 2 -9.089 11.022 11.250 12 2HG GLU 2 2HG GLU 2 -10.518 12.001 11.717 13 HE2 GLU 2 HE GLU 2 -6.758 13.227 12.200 14 H GLU 3 H GLU 3 -9.782 7.216 11.640 15 HA GLU 3 HA GLU 3 -6.962 7.238 10.701 16 1HB GLU 3 1HB GLU 3 -6.008 5.205 11.763 17 2HB GLU 3 2HB GLU 3 -6.495 6.524 12.951 18 1HG GLU 3 1HG GLU 3 -8.313 4.162 12.461 19 2HG GLU 3 2HG GLU 3 -7.025 3.952 13.495 20 HE2 GLU 3 HE GLU 3 -10.189 5.662 14.896 21 H GLY 4 H GLY 4 -6.284 5.663 9.599 22 1HA GLY 4 1HA GLY 4 -7.918 3.823 7.868 23 2HA GLY 4 2HA GLY 4 -6.204 4.134 7.680 24 H GLN 5 H GLN 5 -6.173 1.890 7.583 25 HA GLN 5 HA GLN 5 -5.496 0.579 10.226 26 1HB GLN 5 1HB GLN 5 -7.208 -1.147 9.971 27 2HB GLN 5 2HB GLN 5 -7.994 0.409 9.786 28 1HG GLN 5 1HG GLN 5 -7.800 -0.199 7.064 29 2HG GLN 5 2HG GLN 5 -7.102 -1.637 7.516 30 1HE2 GLN 5 1HE2 GLN 5 -8.526 -3.222 8.835 31 2HE2 GLN 5 2HE2 GLN 5 -10.267 -3.070 8.347 32 H VAL 6 H VAL 6 -3.522 -0.058 9.877 33 HA VAL 6 HA VAL 6 -2.430 -0.995 7.218 34 HB VAL 6 HB VAL 6 -0.811 -0.505 9.777 35 1HG1 VAL 6 1HG1 VAL 6 1.187 -1.021 8.757 36 2HG1 VAL 6 2HG1 VAL 6 0.226 -2.436 8.649 37 3HG1 VAL 6 3HG1 VAL 6 0.382 -1.439 7.169 38 1HG2 VAL 6 1HG2 VAL 6 -0.661 0.796 6.978 39 2HG2 VAL 6 2HG2 VAL 6 -1.617 1.461 8.374 40 3HG2 VAL 6 3HG2 VAL 6 0.092 1.323 8.497 41 H ILE 7 H ILE 7 -2.970 -2.852 6.941 42 HA ILE 7 HA ILE 7 -2.957 -5.160 8.872 43 HB ILE 7 HB ILE 7 -5.080 -3.930 7.809 44 1HG1 ILE 7 1HG1 ILE 7 -5.660 -5.834 9.317 45 2HG1 ILE 7 2HG1 ILE 7 -6.566 -5.962 7.919 46 1HG2 ILE 7 1HG2 ILE 7 -4.441 -4.135 5.405 47 2HG2 ILE 7 2HG2 ILE 7 -4.920 -5.792 5.451 48 3HG2 ILE 7 3HG2 ILE 7 -6.055 -4.532 5.738 49 1HD1 ILE 7 1HD1 ILE 7 -5.670 -8.118 8.585 50 2HD1 ILE 7 2HD1 ILE 7 -4.876 -7.598 7.135 51 3HD1 ILE 7 3HD1 ILE 7 -4.016 -7.591 8.670 52 H ALA 8 H ALA 8 -2.103 -6.947 8.365 53 HA ALA 8 HA ALA 8 -0.076 -7.375 6.374 54 1HB ALA 8 1HB ALA 8 0.242 -9.692 7.658 55 2HB ALA 8 2HB ALA 8 0.164 -8.421 8.719 56 3HB ALA 8 3HB ALA 8 -1.285 -9.385 8.479 57 H CYS 9 H CYS 9 -0.358 -8.768 4.564 58 HA CYS 9 HA CYS 9 -2.923 -10.077 3.884 59 1HB CYS 9 1HB CYS 9 -1.247 -8.067 2.214 60 2HB CYS 9 2HB CYS 9 -2.642 -9.003 1.738 61 HG CYS 9 HG CYS 9 -4.400 -7.561 2.605 62 H HIS 10 H HIS 10 -2.515 -11.722 2.296 63 HA HIS 10 HA HIS 10 0.180 -13.035 1.833 64 1HB HIS 10 1HB HIS 10 -1.895 -14.189 3.746 65 2HB HIS 10 2HB HIS 10 -0.677 -15.143 3.118 66 HD1 HIS 10 1HD HIS 10 2.038 -14.245 3.757 67 HD2 HIS 10 2HD HIS 10 -1.440 -13.021 6.009 68 HE1 HIS 10 1HE HIS 10 2.785 -12.772 5.726 69 H THR 11 H THR 11 -3.071 -12.833 0.388 70 HA THR 11 HA THR 11 -2.839 -15.481 -0.769 71 HB THR 11 HB THR 11 -4.971 -16.168 0.093 72 HG1 THR 11 1HG THR 11 -4.744 -15.131 2.546 73 1HG2 THR 11 1HG2 THR 11 -3.280 -17.650 1.041 74 2HG2 THR 11 2HG2 THR 11 -2.819 -16.452 2.045 75 3HG2 THR 11 3HG2 THR 11 -4.428 -17.179 2.327 76 H VAL 12 H VAL 12 -5.343 -15.795 -1.703 77 HA VAL 12 HA VAL 12 -6.056 -13.608 -3.505 78 HB VAL 12 HB VAL 12 -6.233 -16.020 -4.217 79 1HG1 VAL 12 1HG1 VAL 12 -8.576 -16.337 -2.253 80 2HG1 VAL 12 2HG1 VAL 12 -8.114 -17.454 -3.520 81 3HG1 VAL 12 3HG1 VAL 12 -7.063 -17.213 -2.140 82 1HG2 VAL 12 1HG2 VAL 12 -7.572 -14.305 -5.459 83 2HG2 VAL 12 2HG2 VAL 12 -8.470 -15.808 -5.390 84 3HG2 VAL 12 3HG2 VAL 12 -8.908 -14.599 -4.208 85 H ASP 13 H ASP 13 -6.704 -14.152 -0.370 86 HA ASP 13 HA ASP 13 -9.295 -12.770 -0.040 87 1HB ASP 13 1HB ASP 13 -7.157 -13.396 2.164 88 2HB ASP 13 2HB ASP 13 -8.700 -12.541 2.535 89 HD2 ASP 13 HD ASP 13 -7.254 -15.378 2.139 90 H THR 14 H THR 14 -6.128 -11.747 -0.044 91 HA THR 14 HA THR 14 -6.738 -8.900 0.497 92 HB THR 14 HB THR 14 -4.386 -10.069 0.755 93 HG1 THR 14 1HG THR 14 -3.659 -8.045 0.675 94 1HG2 THR 14 1HG2 THR 14 -3.989 -10.556 -1.854 95 2HG2 THR 14 2HG2 THR 14 -3.857 -8.699 -1.908 96 3HG2 THR 14 3HG2 THR 14 -2.777 -9.753 -0.956 97 H TRP 15 H TRP 15 -6.601 -10.818 -2.245 98 HA TRP 15 HA TRP 15 -7.064 -8.690 -4.343 99 1HB TRP 15 1HB TRP 15 -7.743 -11.627 -4.343 100 2HB TRP 15 2HB TRP 15 -8.619 -10.592 -5.337 101 HD1 TRP 15 HD TRP 15 -4.827 -11.531 -4.794 102 HE1 TRP 15 1HE TRP 15 -3.669 -11.317 -7.275 103 HE3 TRP 15 3HE TRP 15 -8.811 -9.725 -7.416 104 HZ2 TRP 15 2HZ TRP 15 -4.589 -10.685 -9.878 105 HZ3 TRP 15 3HZ TRP 15 -8.696 -9.497 -9.982 106 HH2 TRP 15 HH TRP 15 -6.750 -10.013 -11.122 107 H LYS 16 H LYS 16 -9.322 -10.518 -2.247 108 HA LYS 16 HA LYS 16 -11.680 -8.893 -2.920 109 1HB LYS 16 1HB LYS 16 -11.118 -10.481 -0.244 110 2HB LYS 16 2HB LYS 16 -12.654 -9.889 -0.833 111 1HG LYS 16 1HG LYS 16 -12.555 -11.407 -2.824 112 2HG LYS 16 2HG LYS 16 -11.081 -12.184 -2.184 113 1HD LYS 16 1HD LYS 16 -13.913 -11.991 -0.732 114 2HD LYS 16 2HD LYS 16 -13.509 -13.252 -1.725 115 1HE LYS 16 1HE LYS 16 -11.346 -13.714 -0.210 116 2HE LYS 16 2HE LYS 16 -12.100 -12.602 0.903 117 1HZ LYS 16 1HZ LYS 16 -12.739 -14.856 1.481 118 2HZ LYS 16 2HZ LYS 16 -13.990 -13.931 1.027 119 H GLU 17 H GLU 17 -9.310 -8.323 -0.379 120 HA GLU 17 HA GLU 17 -10.559 -5.976 0.812 121 1HB GLU 17 1HB GLU 17 -7.609 -6.746 0.994 122 2HB GLU 17 2HB GLU 17 -8.517 -5.500 1.942 123 1HG GLU 17 1HG GLU 17 -9.814 -7.006 3.225 124 2HG GLU 17 2HG GLU 17 -9.622 -8.329 2.138 125 HE2 GLU 17 HE GLU 17 -6.815 -9.563 3.747 126 H HIS 18 H HIS 18 -7.600 -6.055 -1.356 127 HA HIS 18 HA HIS 18 -7.117 -3.445 -1.703 128 1HB HIS 18 1HB HIS 18 -5.744 -5.402 -2.067 129 2HB HIS 18 2HB HIS 18 -6.726 -6.020 -3.334 130 HD1 HIS 18 1HD HIS 18 -6.841 -2.974 -4.945 131 HD2 HIS 18 2HD HIS 18 -3.916 -5.852 -4.009 132 HE1 HIS 18 1HE HIS 18 -5.089 -2.996 -6.734 133 H PHE 19 H PHE 19 -8.948 -5.448 -3.748 134 HA PHE 19 HA PHE 19 -9.703 -3.476 -5.802 135 1HB PHE 19 1HB PHE 19 -10.468 -6.478 -5.588 136 2HB PHE 19 2HB PHE 19 -11.014 -5.504 -6.848 137 HD1 PHE 19 1HD PHE 19 -10.014 -5.146 -8.829 138 HD2 PHE 19 2HD PHE 19 -7.622 -6.820 -5.640 139 HE1 PHE 19 1HE PHE 19 -8.061 -5.046 -10.265 140 HE2 PHE 19 2HE PHE 19 -5.809 -6.692 -6.931 141 HZ PHE 19 HZ PHE 19 -5.812 -5.584 -9.201 142 H GLU 20 H GLU 20 -11.934 -5.403 -3.585 143 HA GLU 20 HA GLU 20 -14.346 -4.057 -4.091 144 1HB GLU 20 1HB GLU 20 -13.723 -5.661 -1.614 145 2HB GLU 20 2HB GLU 20 -15.206 -5.015 -2.012 146 1HG GLU 20 1HG GLU 20 -13.602 -7.318 -3.351 147 2HG GLU 20 2HG GLU 20 -15.083 -7.530 -2.383 148 HE2 GLU 20 HE GLU 20 -15.276 -6.130 -6.179 149 H LYS 21 H LYS 21 -11.956 -3.326 -1.321 150 HA LYS 21 HA LYS 21 -13.270 -0.861 -0.287 151 1HB LYS 21 1HB LYS 21 -10.388 -1.572 -0.252 152 2HB LYS 21 2HB LYS 21 -10.989 -0.186 0.466 153 1HG LYS 21 1HG LYS 21 -11.881 -3.176 1.054 154 2HG LYS 21 2HG LYS 21 -10.568 -2.325 1.883 155 1HD LYS 21 1HD LYS 21 -12.685 -0.553 2.371 156 2HD LYS 21 2HD LYS 21 -13.693 -1.996 1.982 157 1HE LYS 21 1HE LYS 21 -13.424 -2.025 4.368 158 2HE LYS 21 2HE LYS 21 -12.329 -3.267 3.751 159 1HZ LYS 21 1HZ LYS 21 -11.470 -0.599 4.647 160 2HZ LYS 21 2HZ LYS 21 -11.265 -1.944 5.444 161 H GLY 22 H GLY 22 -10.382 -0.983 -2.461 162 1HA GLY 22 1HA GLY 22 -10.061 1.438 -3.356 163 2HA GLY 22 2HA GLY 22 -9.875 -0.040 -4.397 164 H LYS 23 H LYS 23 -11.397 -0.537 -5.878 165 HA LYS 23 HA LYS 23 -13.514 1.406 -6.793 166 1HB LYS 23 1HB LYS 23 -12.413 0.195 -8.560 167 2HB LYS 23 2HB LYS 23 -12.500 -1.372 -7.740 168 1HG LYS 23 1HG LYS 23 -15.207 0.104 -8.321 169 2HG LYS 23 2HG LYS 23 -14.099 0.056 -9.655 170 1HD LYS 23 1HD LYS 23 -15.372 -2.465 -8.258 171 2HD LYS 23 2HD LYS 23 -15.601 -1.838 -9.975 172 1HE LYS 23 1HE LYS 23 -13.004 -3.101 -8.926 173 2HE LYS 23 2HE LYS 23 -14.356 -3.915 -9.634 174 1HZ LYS 23 1HZ LYS 23 -14.098 -2.927 -11.631 175 2HZ LYS 23 2HZ LYS 23 -13.213 -1.785 -10.980 176 H GLY 24 H GLY 24 -14.662 1.554 -5.071 177 1HA GLY 24 1HA GLY 24 -17.230 -0.062 -4.958 178 2HA GLY 24 2HA GLY 24 -16.200 -0.479 -3.553 179 H SER 25 H SER 25 -14.969 1.750 -3.114 180 HA SER 25 HA SER 25 -16.937 3.637 -2.023 181 1HB SER 25 1HB SER 25 -14.907 2.110 -0.316 182 2HB SER 25 2HB SER 25 -15.857 3.485 0.092 183 HG SER 25 HG SER 25 -16.542 1.193 0.572 184 H GLN 26 H GLN 26 -16.376 5.628 -1.856 185 HA GLN 26 HA GLN 26 -14.212 6.828 -3.492 186 1HB GLN 26 1HB GLN 26 -16.462 8.027 -1.671 187 2HB GLN 26 2HB GLN 26 -15.059 8.959 -2.349 188 1HG GLN 26 1HG GLN 26 -17.008 9.225 -3.753 189 2HG GLN 26 2HG GLN 26 -15.788 8.425 -4.678 190 1HE2 GLN 26 1HE2 GLN 26 -16.467 6.652 -5.783 191 2HE2 GLN 26 2HE2 GLN 26 -18.069 5.954 -5.368 192 H LYS 27 H LYS 27 -12.595 5.539 -2.330 193 HA LYS 27 HA LYS 27 -11.031 7.371 -0.512 194 1HB LYS 27 1HB LYS 27 -10.717 5.392 1.148 195 2HB LYS 27 2HB LYS 27 -12.367 5.937 1.008 196 1HG LYS 27 1HG LYS 27 -12.987 3.939 -0.004 197 2HG LYS 27 2HG LYS 27 -11.377 3.571 -0.678 198 1HD LYS 27 1HD LYS 27 -11.880 1.864 1.398 199 2HD LYS 27 2HD LYS 27 -10.738 3.196 1.862 200 1HE LYS 27 1HE LYS 27 -12.657 4.378 2.813 201 2HE LYS 27 2HE LYS 27 -13.854 3.075 2.357 202 1HZ LYS 27 1HZ LYS 27 -11.881 3.242 4.615 203 2HZ LYS 27 2HZ LYS 27 -13.109 2.116 4.411 204 H LEU 28 H LEU 28 -8.982 6.868 -0.562 205 HA LEU 28 HA LEU 28 -7.544 5.698 -2.893 206 1HB LEU 28 1HB LEU 28 -6.870 7.974 -1.913 207 2HB LEU 28 2HB LEU 28 -6.513 7.074 -0.520 208 HG LEU 28 HG LEU 28 -4.607 5.818 -1.811 209 1HD1 LEU 28 1HD1 LEU 28 -5.424 6.090 -4.180 210 2HD1 LEU 28 2HD1 LEU 28 -5.251 7.874 -4.092 211 3HD1 LEU 28 3HD1 LEU 28 -3.879 6.768 -4.116 212 1HD2 LEU 28 1HD2 LEU 28 -4.381 8.870 -1.842 213 2HD2 LEU 28 2HD2 LEU 28 -4.259 8.015 -0.342 214 3HD2 LEU 28 3HD2 LEU 28 -3.135 7.728 -1.650 215 H ILE 29 H ILE 29 -6.162 3.870 -2.513 216 HA ILE 29 HA ILE 29 -5.989 2.526 0.106 217 HB ILE 29 HB ILE 29 -6.776 0.367 -0.397 218 1HG1 ILE 29 1HG1 ILE 29 -8.197 0.061 -2.521 219 2HG1 ILE 29 2HG1 ILE 29 -7.264 1.264 -3.266 220 1HG2 ILE 29 1HG2 ILE 29 -9.209 0.553 -0.612 221 2HG2 ILE 29 2HG2 ILE 29 -8.668 1.832 0.452 222 3HG2 ILE 29 3HG2 ILE 29 -8.973 2.211 -1.244 223 1HD1 ILE 29 1HD1 ILE 29 -5.165 -0.333 -2.810 224 2HD1 ILE 29 2HD1 ILE 29 -6.274 -1.368 -1.949 225 3HD1 ILE 29 3HD1 ILE 29 -6.412 -1.221 -3.682 226 H VAL 30 H VAL 30 -4.024 1.642 0.355 227 HA VAL 30 HA VAL 30 -1.864 2.251 -1.753 228 HB VAL 30 HB VAL 30 -1.906 3.051 1.040 229 1HG1 VAL 30 1HG1 VAL 30 0.283 2.598 0.494 230 2HG1 VAL 30 2HG1 VAL 30 0.336 3.686 -1.058 231 3HG1 VAL 30 3HG1 VAL 30 0.219 4.479 0.656 232 1HG2 VAL 30 1HG2 VAL 30 -1.890 5.658 0.077 233 2HG2 VAL 30 2HG2 VAL 30 -2.467 4.774 -1.391 234 3HG2 VAL 30 3HG2 VAL 30 -3.370 4.705 0.203 235 H VAL 31 H VAL 31 -0.942 0.490 -1.957 236 HA VAL 31 HA VAL 31 -0.864 -1.720 -0.010 237 HB VAL 31 HB VAL 31 -2.562 -2.284 -1.026 238 1HG1 VAL 31 1HG1 VAL 31 -1.680 -1.470 -3.892 239 2HG1 VAL 31 2HG1 VAL 31 -3.094 -2.532 -3.543 240 3HG1 VAL 31 3HG1 VAL 31 -3.050 -0.833 -2.959 241 1HG2 VAL 31 1HG2 VAL 31 -2.075 -4.288 -2.559 242 2HG2 VAL 31 2HG2 VAL 31 -0.380 -3.611 -2.772 243 3HG2 VAL 31 3HG2 VAL 31 -0.889 -4.274 -1.124 244 H ASP 32 H ASP 32 1.155 -1.654 0.582 245 HA ASP 32 HA ASP 32 3.477 -1.644 -1.030 246 1HB ASP 32 1HB ASP 32 3.218 -1.147 1.555 247 2HB ASP 32 2HB ASP 32 3.289 -2.904 1.873 248 HD2 ASP 32 HD ASP 32 6.649 -1.374 0.214 249 H PHE 33 H PHE 33 4.952 -3.230 -1.637 250 HA PHE 33 HA PHE 33 4.232 -6.132 -1.719 251 1HB PHE 33 1HB PHE 33 5.079 -3.887 -3.892 252 2HB PHE 33 2HB PHE 33 5.221 -5.634 -4.185 253 HD1 PHE 33 1HD PHE 33 3.201 -7.236 -3.681 254 HD2 PHE 33 2HD PHE 33 2.910 -3.154 -4.744 255 HE1 PHE 33 1HE PHE 33 0.889 -7.655 -4.488 256 HE2 PHE 33 2HE PHE 33 0.448 -3.635 -5.541 257 HZ PHE 33 HZ PHE 33 -0.431 -5.739 -5.354 258 H THR 34 H THR 34 5.919 -6.801 -0.150 259 HA THR 34 HA THR 34 8.643 -5.803 -0.588 260 HB THR 34 HB THR 34 7.722 -4.128 0.947 261 HG1 THR 34 1HG THR 34 9.412 -5.920 2.378 262 1HG2 THR 34 1HG2 THR 34 7.205 -6.329 3.036 263 2HG2 THR 34 2HG2 THR 34 7.084 -4.463 3.216 264 3HG2 THR 34 3HG2 THR 34 5.997 -5.259 2.120 265 H ALA 35 H ALA 35 9.756 -7.383 0.603 266 HA ALA 35 HA ALA 35 8.777 -10.133 1.109 267 1HB ALA 35 1HB ALA 35 11.112 -10.703 0.922 268 2HB ALA 35 2HB ALA 35 10.668 -9.681 -0.346 269 3HB ALA 35 3HB ALA 35 11.565 -8.937 0.925 270 H SER 36 H SER 36 9.287 -11.175 3.004 271 HA SER 36 HA SER 36 9.132 -9.641 5.447 272 1HB SER 36 1HB SER 36 8.350 -12.219 5.158 273 2HB SER 36 2HB SER 36 9.941 -12.637 5.039 274 HG SER 36 HG SER 36 8.569 -11.959 7.233 275 H TRP 37 H TRP 37 11.792 -11.492 4.100 276 HA TRP 37 HA TRP 37 13.953 -10.471 5.719 277 1HB TRP 37 1HB TRP 37 15.352 -11.058 3.617 278 2HB TRP 37 2HB TRP 37 14.630 -12.345 4.512 279 HD1 TRP 37 HD TRP 37 12.499 -13.393 3.385 280 HE1 TRP 37 1HE TRP 37 12.025 -14.171 0.687 281 HE3 TRP 37 3HE TRP 37 15.890 -10.406 1.373 282 HZ2 TRP 37 2HZ TRP 37 13.084 -13.049 -1.754 283 HZ3 TRP 37 3HZ TRP 37 16.060 -10.103 -1.118 284 HH2 TRP 37 HH TRP 37 14.802 -11.534 -2.558 285 H CYS 38 H CYS 38 13.272 -8.018 5.899 286 HA CYS 38 HA CYS 38 14.954 -6.277 4.140 287 1HB CYS 38 1HB CYS 38 12.851 -6.712 2.889 288 2HB CYS 38 2HB CYS 38 11.919 -5.896 4.134 289 HG CYS 38 HG CYS 38 12.769 -4.282 1.947 290 HA PRO 39 HA PRO 39 14.634 -4.483 8.499 291 1HB PRO 39 1HB PRO 39 17.359 -3.481 7.585 292 2HB PRO 39 2HB PRO 39 16.910 -3.974 9.130 293 1HG PRO 39 1HG PRO 39 18.296 -5.670 7.440 294 2HG PRO 39 2HG PRO 39 16.983 -6.470 8.267 295 1HD PRO 39 1HD PRO 39 16.971 -5.431 5.397 296 2HD PRO 39 2HD PRO 39 16.520 -6.979 6.122 297 HA PRO 40 HA PRO 40 14.862 -0.273 5.823 298 1HB PRO 40 1HB PRO 40 14.219 -1.386 3.135 299 2HB PRO 40 2HB PRO 40 15.006 0.118 3.464 300 1HG PRO 40 1HG PRO 40 16.478 -2.169 2.861 301 2HG PRO 40 2HG PRO 40 17.128 -1.187 4.173 302 1HD PRO 40 1HD PRO 40 15.590 -3.689 4.465 303 2HD PRO 40 2HD PRO 40 17.028 -2.994 5.394 304 H CYS 41 H CYS 41 12.674 -2.670 4.760 305 HA CYS 41 HA CYS 41 10.314 -0.927 5.160 306 1HB CYS 41 1HB CYS 41 10.072 -3.782 4.518 307 2HB CYS 41 2HB CYS 41 8.891 -2.716 4.127 308 HG CYS 41 HG CYS 41 10.146 -1.498 2.232 309 H LYS 42 H LYS 42 12.100 -3.190 7.001 310 HA LYS 42 HA LYS 42 10.003 -3.541 9.040 311 1HB LYS 42 1HB LYS 42 11.886 -4.864 9.068 312 2HB LYS 42 2HB LYS 42 12.963 -3.595 9.748 313 1HG LYS 42 1HG LYS 42 11.603 -3.575 11.831 314 2HG LYS 42 2HG LYS 42 10.284 -4.428 10.997 315 1HD LYS 42 1HD LYS 42 11.828 -6.319 10.630 316 2HD LYS 42 2HD LYS 42 12.982 -5.524 11.623 317 1HE LYS 42 1HE LYS 42 11.858 -7.315 12.830 318 2HE LYS 42 2HE LYS 42 11.800 -5.777 13.624 319 1HZ LYS 42 1HZ LYS 42 9.459 -5.539 13.171 320 2HZ LYS 42 2HZ LYS 42 9.465 -6.908 12.230 321 H MET 43 H MET 43 12.474 -0.737 8.859 322 HA MET 43 HA MET 43 10.871 0.861 10.761 323 1HB MET 43 1HB MET 43 12.379 2.636 10.285 324 2HB MET 43 2HB MET 43 13.365 1.245 10.493 325 1HG MET 43 1HG MET 43 13.495 1.003 7.919 326 2HG MET 43 2HG MET 43 12.682 2.450 7.669 327 1HE MET 43 1HE MET 43 16.631 3.001 7.324 328 2HE MET 43 2HE MET 43 15.495 1.789 6.824 329 3HE MET 43 3HE MET 43 15.123 3.482 6.326 330 H ILE 44 H ILE 44 10.835 0.981 7.159 331 HA ILE 44 HA ILE 44 8.692 2.767 7.205 332 HB ILE 44 HB ILE 44 9.986 1.357 5.084 333 1HG1 ILE 44 1HG1 ILE 44 8.839 2.878 3.584 334 2HG1 ILE 44 2HG1 ILE 44 7.539 3.203 4.763 335 1HG2 ILE 44 1HG2 ILE 44 7.078 0.642 4.814 336 2HG2 ILE 44 2HG2 ILE 44 8.480 0.303 3.604 337 3HG2 ILE 44 3HG2 ILE 44 8.266 -0.520 5.184 338 1HD1 ILE 44 1HD1 ILE 44 9.470 4.435 6.221 339 2HD1 ILE 44 2HD1 ILE 44 10.569 3.795 4.909 340 3HD1 ILE 44 3HD1 ILE 44 9.306 5.098 4.612 341 H ALA 45 H ALA 45 8.174 -0.489 8.095 342 HA ALA 45 HA ALA 45 5.254 -0.673 7.959 343 1HB ALA 45 1HB ALA 45 6.273 -2.309 10.252 344 2HB ALA 45 2HB ALA 45 5.055 -2.575 9.022 345 3HB ALA 45 3HB ALA 45 6.751 -2.752 8.499 346 HA PRO 46 HA PRO 46 5.108 1.700 12.406 347 1HB PRO 46 1HB PRO 46 7.904 2.772 12.154 348 2HB PRO 46 2HB PRO 46 7.037 2.475 13.633 349 1HG PRO 46 1HG PRO 46 8.909 0.693 12.872 350 2HG PRO 46 2HG PRO 46 7.337 0.177 13.414 351 1HD PRO 46 1HD PRO 46 8.154 0.217 10.538 352 2HD PRO 46 2HD PRO 46 7.309 -1.005 11.419 353 H ILE 47 H ILE 47 7.074 3.113 9.778 354 HA ILE 47 HA ILE 47 6.034 5.814 9.913 355 HB ILE 47 HB ILE 47 7.563 4.671 7.508 356 1HG1 ILE 47 1HG1 ILE 47 8.810 4.746 9.551 357 2HG1 ILE 47 2HG1 ILE 47 9.409 5.958 8.322 358 1HG2 ILE 47 1HG2 ILE 47 6.054 6.571 6.691 359 2HG2 ILE 47 2HG2 ILE 47 6.825 7.604 7.943 360 3HG2 ILE 47 3HG2 ILE 47 7.826 6.871 6.753 361 1HD1 ILE 47 1HD1 ILE 47 9.489 6.753 10.679 362 2HD1 ILE 47 2HD1 ILE 47 8.350 7.795 9.908 363 3HD1 ILE 47 3HD1 ILE 47 7.784 6.384 11.002 364 H PHE 48 H PHE 48 4.965 3.160 8.180 365 HA PHE 48 HA PHE 48 2.618 4.223 6.576 366 1HB PHE 48 1HB PHE 48 4.040 2.055 6.201 367 2HB PHE 48 2HB PHE 48 2.923 1.233 7.412 368 HD1 PHE 48 1HD PHE 48 2.299 -0.302 5.764 369 HD2 PHE 48 2HD PHE 48 2.423 3.809 4.505 370 HE1 PHE 48 1HE PHE 48 0.906 -0.875 3.910 371 HE2 PHE 48 2HE PHE 48 1.318 3.203 2.483 372 HZ PHE 48 HZ PHE 48 0.489 0.769 2.127 373 H ALA 49 H ALA 49 2.965 2.629 9.886 374 HA ALA 49 HA ALA 49 0.234 2.817 10.551 375 1HB ALA 49 1HB ALA 49 1.487 1.031 11.469 376 2HB ALA 49 2HB ALA 49 2.619 2.172 12.291 377 3HB ALA 49 3HB ALA 49 0.888 2.087 12.819 378 H GLU 50 H GLU 50 2.937 4.975 11.480 379 HA GLU 50 HA GLU 50 1.347 7.111 12.779 380 1HB GLU 50 1HB GLU 50 3.840 6.664 12.759 381 2HB GLU 50 2HB GLU 50 3.893 7.449 11.281 382 1HG GLU 50 1HG GLU 50 2.745 8.865 13.742 383 2HG GLU 50 2HG GLU 50 4.372 8.918 13.452 384 HE2 GLU 50 HE GLU 50 2.072 11.536 12.037 385 H LEU 51 H LEU 51 2.491 7.267 9.393 386 HA LEU 51 HA LEU 51 0.588 9.136 8.550 387 1HB LEU 51 1HB LEU 51 2.596 8.252 7.405 388 2HB LEU 51 2HB LEU 51 1.790 6.747 7.101 389 HG LEU 51 HG LEU 51 2.187 8.605 5.276 390 1HD1 LEU 51 1HD1 LEU 51 -0.285 6.776 5.709 391 2HD1 LEU 51 2HD1 LEU 51 -0.085 7.878 4.216 392 3HD1 LEU 51 3HD1 LEU 51 1.219 6.612 4.570 393 1HD2 LEU 51 1HD2 LEU 51 1.018 10.498 6.436 394 2HD2 LEU 51 2HD2 LEU 51 0.404 10.188 4.778 395 3HD2 LEU 51 3HD2 LEU 51 -0.479 9.695 6.234 396 H ALA 52 H ALA 52 -0.445 5.621 8.919 397 HA ALA 52 HA ALA 52 -3.165 5.985 7.933 398 1HB ALA 52 1HB ALA 52 -1.834 3.823 8.309 399 2HB ALA 52 2HB ALA 52 -2.030 3.906 10.070 400 3HB ALA 52 3HB ALA 52 -3.472 3.805 8.943 401 H LYS 53 H LYS 53 -1.864 6.724 10.987 402 HA LYS 53 HA LYS 53 -4.376 7.405 12.335 403 1HB LYS 53 1HB LYS 53 -1.409 7.538 13.200 404 2HB LYS 53 2HB LYS 53 -2.540 8.580 14.103 405 1HG LYS 53 1HG LYS 53 -3.873 6.469 14.653 406 2HG LYS 53 2HG LYS 53 -2.853 5.511 13.463 407 1HD LYS 53 1HD LYS 53 -1.732 7.013 15.919 408 2HD LYS 53 2HD LYS 53 -2.468 5.406 16.229 409 1HE LYS 53 1HE LYS 53 -0.995 4.358 14.579 410 2HE LYS 53 2HE LYS 53 -0.248 5.831 14.091 411 1HZ LYS 53 1HZ LYS 53 1.164 4.800 15.705 412 2HZ LYS 53 2HZ LYS 53 0.431 6.133 16.456 413 H LYS 54 H LYS 54 -2.089 9.124 10.488 414 HA LYS 54 HA LYS 54 -2.995 11.864 11.048 415 1HB LYS 54 1HB LYS 54 -0.736 11.087 10.218 416 2HB LYS 54 2HB LYS 54 -1.414 10.791 8.670 417 1HG LYS 54 1HG LYS 54 -2.173 13.328 9.000 418 2HG LYS 54 2HG LYS 54 -1.049 13.349 10.323 419 1HD LYS 54 1HD LYS 54 -0.117 12.664 7.570 420 2HD LYS 54 2HD LYS 54 -0.017 14.225 8.263 421 1HE LYS 54 1HE LYS 54 1.540 13.323 10.181 422 2HE LYS 54 2HE LYS 54 1.364 11.708 9.444 423 1HZ LYS 54 1HZ LYS 54 3.285 13.165 8.819 424 2HZ LYS 54 2HZ LYS 54 2.559 12.423 7.519 425 H PHE 55 H PHE 55 -3.717 9.463 8.819 426 HA PHE 55 HA PHE 55 -5.405 11.260 7.127 427 1HB PHE 55 1HB PHE 55 -2.926 9.642 6.580 428 2HB PHE 55 2HB PHE 55 -4.163 9.411 5.421 429 HD1 PHE 55 1HD PHE 55 -5.159 11.324 4.083 430 HD2 PHE 55 2HD PHE 55 -1.725 11.807 6.402 431 HE1 PHE 55 1HE PHE 55 -4.963 13.724 3.241 432 HE2 PHE 55 2HE PHE 55 -1.509 14.179 5.629 433 HZ PHE 55 HZ PHE 55 -2.992 14.954 3.904 434 HA PRO 56 HA PRO 56 -8.470 7.783 8.244 435 1HB PRO 56 1HB PRO 56 -10.780 9.394 8.263 436 2HB PRO 56 2HB PRO 56 -9.590 9.225 9.483 437 1HG PRO 56 1HG PRO 56 -9.877 11.204 7.314 438 2HG PRO 56 2HG PRO 56 -9.510 11.627 9.016 439 1HD PRO 56 1HD PRO 56 -7.719 11.626 7.021 440 2HD PRO 56 2HD PRO 56 -7.222 11.312 8.746 441 H ASN 57 H ASN 57 -8.395 9.128 4.950 442 HA ASN 57 HA ASN 57 -10.943 8.191 3.825 443 1HB ASN 57 1HB ASN 57 -10.421 9.876 2.147 444 2HB ASN 57 2HB ASN 57 -10.726 10.697 3.721 445 1HD2 ASN 57 1HD2 ASN 57 -8.595 11.834 4.519 446 2HD2 ASN 57 2HD2 ASN 57 -7.342 12.009 3.313 447 H VAL 58 H VAL 58 -8.362 6.816 4.666 448 HA VAL 58 HA VAL 58 -7.946 5.374 2.108 449 HB VAL 58 HB VAL 58 -6.723 7.250 1.649 450 1HG1 VAL 58 1HG1 VAL 58 -5.180 7.143 4.331 451 2HG1 VAL 58 2HG1 VAL 58 -4.979 8.394 3.043 452 3HG1 VAL 58 3HG1 VAL 58 -6.434 8.351 3.961 453 1HG2 VAL 58 1HG2 VAL 58 -4.411 6.654 1.496 454 2HG2 VAL 58 2HG2 VAL 58 -4.701 5.298 2.649 455 3HG2 VAL 58 3HG2 VAL 58 -5.472 5.303 0.977 456 H THR 59 H THR 59 -8.021 3.481 2.411 457 HA THR 59 HA THR 59 -7.253 1.866 4.834 458 HB THR 59 HB THR 59 -7.947 0.794 2.094 459 HG1 THR 59 1HG THR 59 -9.985 0.469 3.368 460 1HG2 THR 59 1HG2 THR 59 -8.441 -1.426 3.333 461 2HG2 THR 59 2HG2 THR 59 -6.824 -1.050 3.201 462 3HG2 THR 59 3HG2 THR 59 -7.629 -0.694 4.752 463 H PHE 60 H PHE 60 -5.493 0.310 4.883 464 HA PHE 60 HA PHE 60 -3.117 0.592 3.043 465 1HB PHE 60 1HB PHE 60 -3.073 1.143 5.993 466 2HB PHE 60 2HB PHE 60 -1.654 1.008 4.984 467 HD1 PHE 60 1HD PHE 60 -1.308 2.763 3.301 468 HD2 PHE 60 2HD PHE 60 -4.451 3.214 6.186 469 HE1 PHE 60 1HE PHE 60 -1.151 5.253 3.116 470 HE2 PHE 60 2HE PHE 60 -4.232 5.605 5.963 471 HZ PHE 60 HZ PHE 60 -2.656 6.679 4.549 472 H LEU 61 H LEU 61 -2.383 -0.940 2.559 473 HA LEU 61 HA LEU 61 -2.152 -3.311 4.407 474 1HB LEU 61 1HB LEU 61 -3.333 -4.878 3.328 475 2HB LEU 61 2HB LEU 61 -4.305 -3.513 3.186 476 HG LEU 61 HG LEU 61 -3.299 -3.064 0.742 477 1HD1 LEU 61 1HD1 LEU 61 -3.142 -6.071 1.056 478 2HD1 LEU 61 2HD1 LEU 61 -2.883 -5.371 -0.559 479 3HD1 LEU 61 3HD1 LEU 61 -1.646 -5.116 0.716 480 1HD2 LEU 61 1HD2 LEU 61 -5.621 -3.357 0.870 481 2HD2 LEU 61 2HD2 LEU 61 -5.022 -4.498 -0.283 482 3HD2 LEU 61 3HD2 LEU 61 -5.474 -5.184 1.183 483 H LYS 62 H LYS 62 -1.028 -4.866 3.749 484 HA LYS 62 HA LYS 62 1.458 -4.391 2.077 485 1HB LYS 62 1HB LYS 62 3.067 -4.682 3.974 486 2HB LYS 62 2HB LYS 62 2.107 -3.376 4.291 487 1HG LYS 62 1HG LYS 62 0.658 -4.684 5.826 488 2HG LYS 62 2HG LYS 62 1.657 -6.081 5.511 489 1HD LYS 62 1HD LYS 62 3.575 -4.691 6.522 490 2HD LYS 62 2HD LYS 62 2.496 -3.288 6.666 491 1HE LYS 62 1HE LYS 62 0.981 -4.834 8.184 492 2HE LYS 62 2HE LYS 62 2.305 -6.029 7.979 493 1HZ LYS 62 1HZ LYS 62 2.797 -3.437 9.219 494 2HZ LYS 62 2HZ LYS 62 3.704 -4.703 9.155 495 H VAL 63 H VAL 63 1.620 -5.778 0.788 496 HA VAL 63 HA VAL 63 0.940 -8.612 0.986 497 HB VAL 63 HB VAL 63 2.072 -7.082 -1.343 498 1HG1 VAL 63 1HG1 VAL 63 1.447 -9.092 -2.837 499 2HG1 VAL 63 2HG1 VAL 63 2.746 -9.461 -1.823 500 3HG1 VAL 63 3HG1 VAL 63 1.130 -10.011 -1.250 501 1HG2 VAL 63 1HG2 VAL 63 -0.343 -7.327 -2.158 502 2HG2 VAL 63 2HG2 VAL 63 -0.627 -8.166 -0.511 503 3HG2 VAL 63 3HG2 VAL 63 -0.240 -6.441 -0.713 504 H ASP 64 H ASP 64 2.236 -9.910 1.993 505 HA ASP 64 HA ASP 64 5.183 -9.946 1.893 506 1HB ASP 64 1HB ASP 64 4.127 -10.966 3.656 507 2HB ASP 64 2HB ASP 64 3.263 -12.200 2.493 508 HD2 ASP 64 HD ASP 64 5.800 -14.321 3.364 509 H VAL 65 H VAL 65 6.065 -9.871 0.024 510 HA VAL 65 HA VAL 65 5.192 -10.924 -2.385 511 HB VAL 65 HB VAL 65 6.947 -9.007 -1.869 512 1HG1 VAL 65 1HG1 VAL 65 9.217 -9.636 -2.631 513 2HG1 VAL 65 2HG1 VAL 65 8.783 -10.680 -1.183 514 3HG1 VAL 65 3HG1 VAL 65 8.881 -11.299 -2.762 515 1HG2 VAL 65 1HG2 VAL 65 6.912 -10.786 -4.401 516 2HG2 VAL 65 2HG2 VAL 65 5.909 -9.313 -4.160 517 3HG2 VAL 65 3HG2 VAL 65 7.646 -9.187 -4.394 518 H ASP 66 H ASP 66 6.983 -13.057 -0.229 519 HA ASP 66 HA ASP 66 7.841 -15.069 -2.202 520 1HB ASP 66 1HB ASP 66 7.217 -15.146 0.844 521 2HB ASP 66 2HB ASP 66 7.790 -16.499 0.012 522 HD2 ASP 66 HD ASP 66 10.200 -13.185 0.781 523 H GLU 67 H GLU 67 4.999 -14.459 -0.320 524 HA GLU 67 HA GLU 67 3.472 -16.618 -1.265 525 1HB GLU 67 1HB GLU 67 2.568 -14.057 0.170 526 2HB GLU 67 2HB GLU 67 1.409 -15.086 -0.367 527 1HG GLU 67 1HG GLU 67 3.592 -15.779 1.618 528 2HG GLU 67 2HG GLU 67 1.934 -15.357 1.981 529 HE2 GLU 67 HE GLU 67 0.482 -18.252 2.304 530 H LEU 68 H LEU 68 3.776 -13.380 -2.708 531 HA LEU 68 HA LEU 68 1.679 -13.864 -4.759 532 1HB LEU 68 1HB LEU 68 1.721 -11.738 -2.639 533 2HB LEU 68 2HB LEU 68 0.840 -11.484 -4.147 534 HG LEU 68 HG LEU 68 0.215 -13.398 -1.850 535 1HD1 LEU 68 1HD1 LEU 68 -1.966 -12.189 -2.008 536 2HD1 LEU 68 2HD1 LEU 68 -0.659 -11.170 -1.436 537 3HD1 LEU 68 3HD1 LEU 68 -1.157 -10.884 -3.025 538 1HD2 LEU 68 1HD2 LEU 68 -0.315 -14.570 -4.125 539 2HD2 LEU 68 2HD2 LEU 68 -1.741 -14.246 -3.020 540 3HD2 LEU 68 3HD2 LEU 68 -1.445 -13.218 -4.364 541 H LYS 69 H LYS 69 4.212 -13.833 -5.126 542 HA LYS 69 HA LYS 69 5.452 -11.489 -6.299 543 1HB LYS 69 1HB LYS 69 7.099 -13.016 -7.431 544 2HB LYS 69 2HB LYS 69 7.030 -12.957 -5.722 545 1HG LYS 69 1HG LYS 69 5.438 -15.157 -6.082 546 2HG LYS 69 2HG LYS 69 6.182 -15.120 -7.796 547 1HD LYS 69 1HD LYS 69 8.466 -15.073 -6.625 548 2HD LYS 69 2HD LYS 69 7.667 -15.387 -5.071 549 1HE LYS 69 1HE LYS 69 7.468 -17.060 -7.616 550 2HE LYS 69 2HE LYS 69 8.514 -17.481 -6.112 551 1HZ LYS 69 1HZ LYS 69 6.256 -18.674 -6.335 552 2HZ LYS 69 2HZ LYS 69 6.549 -18.068 -4.878 553 H ALA 70 H ALA 70 3.462 -13.994 -7.824 554 HA ALA 70 HA ALA 70 3.952 -13.324 -10.543 555 1HB ALA 70 1HB ALA 70 1.723 -14.763 -10.701 556 2HB ALA 70 2HB ALA 70 3.073 -15.585 -9.964 557 3HB ALA 70 3HB ALA 70 1.726 -14.881 -8.982 558 H VAL 71 H VAL 71 1.019 -12.686 -8.739 559 HA VAL 71 HA VAL 71 0.009 -10.511 -10.263 560 HB VAL 71 HB VAL 71 -1.403 -11.639 -8.552 561 1HG1 VAL 71 1HG1 VAL 71 -1.164 -11.297 -6.286 562 2HG1 VAL 71 2HG1 VAL 71 0.496 -11.306 -6.752 563 3HG1 VAL 71 3HG1 VAL 71 -0.326 -9.723 -6.373 564 1HG2 VAL 71 1HG2 VAL 71 -2.598 -9.599 -7.856 565 2HG2 VAL 71 2HG2 VAL 71 -1.224 -8.623 -8.505 566 3HG2 VAL 71 3HG2 VAL 71 -2.196 -9.693 -9.615 567 H ALA 72 H ALA 72 2.377 -10.067 -7.619 568 HA ALA 72 HA ALA 72 2.196 -7.161 -7.161 569 1HB ALA 72 1HB ALA 72 4.321 -7.244 -6.180 570 2HB ALA 72 2HB ALA 72 3.432 -8.606 -5.544 571 3HB ALA 72 3HB ALA 72 4.616 -8.928 -6.694 572 H GLU 73 H GLU 73 4.312 -9.185 -8.993 573 HA GLU 73 HA GLU 73 6.078 -7.317 -10.380 574 1HB GLU 73 1HB GLU 73 5.454 -10.086 -11.029 575 2HB GLU 73 2HB GLU 73 6.633 -9.141 -11.959 576 1HG GLU 73 1HG GLU 73 7.901 -8.859 -9.922 577 2HG GLU 73 2HG GLU 73 6.905 -9.797 -8.953 578 HE2 GLU 73 HE GLU 73 9.643 -11.617 -11.428 579 H GLU 74 H GLU 74 2.961 -8.828 -11.098 580 HA GLU 74 HA GLU 74 2.634 -7.972 -13.848 581 1HB GLU 74 1HB GLU 74 0.741 -8.984 -14.059 582 2HB GLU 74 2HB GLU 74 1.245 -9.762 -12.719 583 1HG GLU 74 1HG GLU 74 -0.516 -8.453 -11.477 584 2HG GLU 74 2HG GLU 74 -0.853 -7.460 -12.807 585 HE2 GLU 74 HE GLU 74 -1.998 -8.020 -14.278 586 H TRP 75 H TRP 75 1.360 -6.187 -10.979 587 HA TRP 75 HA TRP 75 0.383 -3.770 -12.410 588 1HB TRP 75 1HB TRP 75 1.271 -3.873 -9.462 589 2HB TRP 75 2HB TRP 75 0.284 -2.716 -10.267 590 HD1 TRP 75 HD TRP 75 -0.124 -5.200 -7.639 591 HE1 TRP 75 1HE TRP 75 -2.071 -6.754 -7.493 592 HE3 TRP 75 3HE TRP 75 -1.825 -4.533 -12.464 593 HZ2 TRP 75 2HZ TRP 75 -3.871 -7.698 -9.235 594 HZ3 TRP 75 3HZ TRP 75 -3.705 -5.803 -13.227 595 HH2 TRP 75 HH TRP 75 -4.842 -7.566 -11.737 596 H ASN 76 H ASN 76 3.394 -4.387 -10.717 597 HA ASN 76 HA ASN 76 5.349 -4.379 -12.473 598 1HB ASN 76 1HB ASN 76 4.432 -2.343 -13.697 599 2HB ASN 76 2HB ASN 76 4.787 -1.277 -12.452 600 1HD2 ASN 76 1HD2 ASN 76 7.352 -1.094 -12.087 601 2HD2 ASN 76 2HD2 ASN 76 8.452 -1.384 -13.544 602 H VAL 77 H VAL 77 5.616 -5.287 -10.548 603 HA VAL 77 HA VAL 77 7.373 -3.835 -8.588 604 HB VAL 77 HB VAL 77 6.190 -6.538 -8.062 605 1HG1 VAL 77 1HG1 VAL 77 8.007 -4.790 -6.315 606 2HG1 VAL 77 2HG1 VAL 77 7.034 -6.073 -5.535 607 3HG1 VAL 77 3HG1 VAL 77 8.283 -6.438 -6.704 608 1HG2 VAL 77 1HG2 VAL 77 5.605 -3.709 -6.985 609 2HG2 VAL 77 2HG2 VAL 77 4.394 -4.637 -7.868 610 3HG2 VAL 77 3HG2 VAL 77 4.796 -5.291 -6.386 611 H GLU 78 H GLU 78 8.986 -3.597 -10.093 612 HA GLU 78 HA GLU 78 10.889 -5.638 -10.656 613 1HB GLU 78 1HB GLU 78 12.583 -3.434 -10.558 614 2HB GLU 78 2HB GLU 78 11.511 -3.894 -12.009 615 1HG GLU 78 1HG GLU 78 11.584 -1.586 -11.581 616 2HG GLU 78 2HG GLU 78 9.956 -2.001 -11.303 617 HE2 GLU 78 HE GLU 78 12.866 -0.964 -9.959 618 H ALA 79 H ALA 79 10.222 -4.263 -7.662 619 HA ALA 79 HA ALA 79 12.734 -5.314 -6.615 620 1HB ALA 79 1HB ALA 79 14.022 -3.083 -6.380 621 2HB ALA 79 2HB ALA 79 13.120 -3.002 -7.785 622 3HB ALA 79 3HB ALA 79 12.466 -2.194 -6.295 623 H MET 80 H MET 80 13.172 -5.033 -4.511 624 HA MET 80 HA MET 80 11.073 -4.608 -2.545 625 1HB MET 80 1HB MET 80 13.479 -5.994 -2.422 626 2HB MET 80 2HB MET 80 13.154 -5.097 -0.993 627 1HG MET 80 1HG MET 80 12.661 -7.524 -1.005 628 2HG MET 80 2HG MET 80 11.368 -6.497 -0.385 629 1HE MET 80 1HE MET 80 8.422 -7.103 -2.760 630 2HE MET 80 2HE MET 80 9.379 -5.603 -2.964 631 3HE MET 80 3HE MET 80 9.340 -6.806 -4.210 632 HA PRO 81 HA PRO 81 9.729 -3.267 -2.797 633 1HB PRO 81 1HB PRO 81 8.974 -2.363 -0.508 634 2HB PRO 81 2HB PRO 81 10.107 -3.496 -0.560 635 1HG PRO 81 2HG PRO 81 10.696 -0.576 0.017 636 2HG PRO 81 1HG PRO 81 11.675 -2.126 0.391 637 1HD PRO 81 1HD PRO 81 11.745 -0.138 -2.003 638 2HD PRO 81 2HD PRO 81 12.977 -1.078 -1.087 639 H THR 82 H THR 82 8.266 -2.619 -3.357 640 HA THR 82 HA THR 82 7.608 -0.008 -4.521 641 HB THR 82 HB THR 82 6.401 -2.684 -5.025 642 HG1 THR 82 1HG THR 82 8.668 -2.635 -5.320 643 1HG2 THR 82 1HG2 THR 82 6.043 -1.726 -7.456 644 2HG2 THR 82 2HG2 THR 82 5.232 -0.823 -6.072 645 3HG2 THR 82 3HG2 THR 82 6.752 -0.168 -6.949 646 H PHE 83 H PHE 83 5.703 0.826 -4.346 647 HA PHE 83 HA PHE 83 3.597 0.116 -2.417 648 1HB PHE 83 1HB PHE 83 4.563 2.915 -2.544 649 2HB PHE 83 2HB PHE 83 3.145 2.428 -1.717 650 HD1 PHE 83 1HD PHE 83 6.979 1.903 -1.543 651 HD2 PHE 83 2HD PHE 83 3.103 1.248 0.633 652 HE1 PHE 83 1HE PHE 83 8.000 1.895 0.661 653 HE2 PHE 83 2HE PHE 83 4.237 1.365 2.675 654 HZ PHE 83 HZ PHE 83 6.694 1.595 2.738 655 H ILE 84 H ILE 84 1.583 0.690 -3.418 656 HA ILE 84 HA ILE 84 1.455 1.830 -6.163 657 HB ILE 84 HB ILE 84 1.272 -1.150 -5.422 658 1HG1 ILE 84 1HG1 ILE 84 1.393 -0.062 -8.388 659 2HG1 ILE 84 2HG1 ILE 84 2.717 0.168 -7.402 660 1HG2 ILE 84 1HG2 ILE 84 -1.043 -0.328 -7.322 661 2HG2 ILE 84 2HG2 ILE 84 -0.231 -1.824 -6.972 662 3HG2 ILE 84 3HG2 ILE 84 -1.039 -0.926 -5.670 663 1HD1 ILE 84 1HD1 ILE 84 3.274 -2.056 -6.993 664 2HD1 ILE 84 2HD1 ILE 84 1.804 -2.689 -7.856 665 3HD1 ILE 84 3HD1 ILE 84 3.075 -1.874 -8.747 666 H PHE 85 H PHE 85 -0.174 2.682 -6.549 667 HA PHE 85 HA PHE 85 -2.301 3.278 -4.477 668 1HB PHE 85 1HB PHE 85 -0.981 5.050 -6.595 669 2HB PHE 85 2HB PHE 85 -2.419 5.543 -5.622 670 HD1 PHE 85 1HD PHE 85 1.129 4.025 -5.252 671 HD2 PHE 85 2HD PHE 85 -1.703 6.758 -3.773 672 HE1 PHE 85 1HE PHE 85 2.709 4.683 -3.412 673 HE2 PHE 85 2HE PHE 85 -0.273 7.428 -1.895 674 HZ PHE 85 HZ PHE 85 1.993 6.255 -1.760 675 H LEU 86 H LEU 86 -4.279 2.719 -4.833 676 HA LEU 86 HA LEU 86 -5.595 2.426 -7.612 677 1HB LEU 86 1HB LEU 86 -4.678 0.186 -6.296 678 2HB LEU 86 2HB LEU 86 -5.879 0.524 -5.171 679 HG LEU 86 HG LEU 86 -7.023 -1.002 -6.339 680 1HD1 LEU 86 1HD1 LEU 86 -8.791 -0.151 -7.699 681 2HD1 LEU 86 2HD1 LEU 86 -8.510 0.970 -6.221 682 3HD1 LEU 86 3HD1 LEU 86 -8.046 1.487 -8.053 683 1HD2 LEU 86 1HD2 LEU 86 -6.829 -1.378 -8.761 684 2HD2 LEU 86 2HD2 LEU 86 -6.312 0.283 -9.049 685 3HD2 LEU 86 3HD2 LEU 86 -5.156 -0.804 -8.493 686 H LYS 87 H LYS 87 -6.800 3.848 -7.376 687 HA LYS 87 HA LYS 87 -8.422 4.932 -5.047 688 1HB LYS 87 1HB LYS 87 -6.932 6.397 -6.780 689 2HB LYS 87 2HB LYS 87 -8.134 6.032 -7.882 690 1HG LYS 87 1HG LYS 87 -8.294 8.212 -7.158 691 2HG LYS 87 2HG LYS 87 -9.869 7.479 -6.717 692 1HD LYS 87 1HD LYS 87 -8.654 7.112 -4.410 693 2HD LYS 87 2HD LYS 87 -7.446 8.037 -4.924 694 1HE LYS 87 1HE LYS 87 -9.026 10.118 -5.206 695 2HE LYS 87 2HE LYS 87 -10.399 9.117 -4.695 696 1HZ LYS 87 1HZ LYS 87 -9.347 8.865 -2.538 697 2HZ LYS 87 2HZ LYS 87 -7.921 9.642 -3.074 698 H ASP 88 H ASP 88 -10.955 4.962 -5.032 699 HA ASP 88 HA ASP 88 -12.451 3.855 -6.881 700 1HB ASP 88 1HB ASP 88 -14.279 5.082 -6.428 701 2HB ASP 88 2HB ASP 88 -13.253 5.157 -5.155 702 HD2 ASP 88 HD ASP 88 -12.317 8.598 -5.692 703 H GLY 89 H GLY 89 -10.354 4.377 -8.638 704 1HA GLY 89 1HA GLY 89 -11.559 5.228 -11.113 705 2HA GLY 89 2HA GLY 89 -10.442 6.419 -10.605 706 H LYS 90 H LYS 90 -10.042 3.043 -10.052 707 HA LYS 90 HA LYS 90 -8.659 1.224 -10.909 708 1HB LYS 90 1HB LYS 90 -8.021 2.963 -13.433 709 2HB LYS 90 2HB LYS 90 -7.578 1.300 -13.205 710 1HG LYS 90 1HG LYS 90 -9.377 0.617 -14.347 711 2HG LYS 90 2HG LYS 90 -10.127 0.706 -12.919 712 1HD LYS 90 1HD LYS 90 -11.010 2.976 -13.229 713 2HD LYS 90 2HD LYS 90 -10.405 3.073 -14.870 714 1HE LYS 90 1HE LYS 90 -11.850 0.916 -15.516 715 2HE LYS 90 2HE LYS 90 -12.294 0.789 -13.747 716 1HZ LYS 90 1HZ LYS 90 -13.735 2.203 -15.495 717 2HZ LYS 90 2HZ LYS 90 -12.832 3.327 -15.423 718 H LEU 91 H LEU 91 -6.022 1.697 -12.195 719 HA LEU 91 HA LEU 91 -4.436 2.087 -9.760 720 1HB LEU 91 1HB LEU 91 -4.053 -0.006 -10.905 721 2HB LEU 91 2HB LEU 91 -3.988 0.809 -12.543 722 HG LEU 91 HG LEU 91 -1.835 1.975 -11.484 723 1HD1 LEU 91 1HD1 LEU 91 -2.037 -0.194 -9.346 724 2HD1 LEU 91 2HD1 LEU 91 -0.609 0.802 -9.779 725 3HD1 LEU 91 3HD1 LEU 91 -2.017 1.536 -9.244 726 1HD2 LEU 91 1HD2 LEU 91 -0.279 -0.154 -11.911 727 2HD2 LEU 91 2HD2 LEU 91 -1.794 -1.203 -12.105 728 3HD2 LEU 91 3HD2 LEU 91 -1.570 0.224 -13.207 729 H VAL 92 H VAL 92 -4.195 4.145 -9.378 730 HA VAL 92 HA VAL 92 -3.778 6.333 -11.366 731 HB VAL 92 HB VAL 92 -3.761 7.922 -9.509 732 1HG1 VAL 92 1HG1 VAL 92 -6.154 6.075 -9.288 733 2HG1 VAL 92 2HG1 VAL 92 -6.053 7.868 -8.854 734 3HG1 VAL 92 3HG1 VAL 92 -5.934 7.319 -10.494 735 1HG2 VAL 92 1HG2 VAL 92 -3.916 5.648 -7.635 736 2HG2 VAL 92 2HG2 VAL 92 -2.530 6.832 -7.877 737 3HG2 VAL 92 3HG2 VAL 92 -3.931 7.421 -7.214 738 H ASP 93 H ASP 93 -1.520 4.445 -9.253 739 HA ASP 93 HA ASP 93 0.829 5.881 -10.303 740 1HB ASP 93 1HB ASP 93 -0.248 7.767 -8.828 741 2HB ASP 93 2HB ASP 93 -0.101 6.873 -7.479 742 HD2 ASP 93 HD ASP 93 1.576 8.175 -10.069 743 H LYS 94 H LYS 94 2.963 5.619 -8.969 744 HA LYS 94 HA LYS 94 3.214 3.056 -7.516 745 1HB LYS 94 1HB LYS 94 4.549 1.924 -8.997 746 2HB LYS 94 2HB LYS 94 2.737 1.824 -9.251 747 1HG LYS 94 1HG LYS 94 3.103 3.461 -11.274 748 2HG LYS 94 2HG LYS 94 4.756 2.757 -11.215 749 1HD LYS 94 1HD LYS 94 3.835 0.423 -11.257 750 2HD LYS 94 2HD LYS 94 2.166 0.946 -11.313 751 1HE LYS 94 1HE LYS 94 4.095 1.861 -13.572 752 2HE LYS 94 2HE LYS 94 3.525 0.283 -13.582 753 1HZ LYS 94 1HZ LYS 94 1.913 1.903 -14.744 754 2HZ LYS 94 2HZ LYS 94 1.749 2.616 -13.252 755 H THR 95 H THR 95 5.257 3.048 -6.709 756 HA THR 95 HA THR 95 7.316 4.792 -7.486 757 HB THR 95 HB THR 95 5.920 5.882 -4.999 758 HG1 THR 95 1HG THR 95 5.799 7.681 -6.195 759 1HG2 THR 95 1HG2 THR 95 8.328 5.924 -4.698 760 2HG2 THR 95 2HG2 THR 95 8.591 6.821 -6.269 761 3HG2 THR 95 3HG2 THR 95 7.741 7.569 -4.764 762 H VAL 96 H VAL 96 9.037 4.210 -6.214 763 HA VAL 96 HA VAL 96 8.867 1.738 -4.496 764 HB VAL 96 HB VAL 96 8.964 0.782 -6.830 765 1HG1 VAL 96 1HG1 VAL 96 11.420 2.572 -7.484 766 2HG1 VAL 96 2HG1 VAL 96 10.542 1.453 -8.538 767 3HG1 VAL 96 3HG1 VAL 96 9.707 2.826 -7.983 768 1HG2 VAL 96 1HG2 VAL 96 10.139 -0.466 -5.128 769 2HG2 VAL 96 2HG2 VAL 96 10.872 -0.547 -6.729 770 3HG2 VAL 96 3HG2 VAL 96 11.622 0.477 -5.456 771 H GLY 97 H GLY 97 9.963 2.155 -2.777 772 1HA GLY 97 1HA GLY 97 12.594 2.911 -2.479 773 2HA GLY 97 2HA GLY 97 11.760 4.446 -2.346 774 H ALA 98 H ALA 98 12.822 4.322 -0.148 775 HA ALA 98 HA ALA 98 10.643 3.883 1.847 776 1HB ALA 98 1HB ALA 98 12.812 1.830 2.099 777 2HB ALA 98 2HB ALA 98 12.175 2.442 3.594 778 3HB ALA 98 3HB ALA 98 10.958 1.843 2.350 779 H ASP 99 H ASP 99 10.718 5.555 3.013 780 HA ASP 99 HA ASP 99 13.069 6.890 4.223 781 1HB ASP 99 1HB ASP 99 13.461 7.822 1.881 782 2HB ASP 99 2HB ASP 99 11.800 8.607 2.095 783 HD2 ASP 99 HD ASP 99 14.751 10.820 2.712 784 H LYS 100 H LYS 100 12.476 7.931 5.939 785 HA LYS 100 HA LYS 100 9.974 7.759 7.118 786 1HB LYS 100 1HB LYS 100 10.881 9.095 8.857 787 2HB LYS 100 2HB LYS 100 12.093 8.017 8.194 788 1HG LYS 100 1HG LYS 100 13.094 9.899 6.982 789 2HG LYS 100 2HG LYS 100 12.058 10.958 7.897 790 1HD LYS 100 1HD LYS 100 13.019 10.055 10.045 791 2HD LYS 100 2HD LYS 100 14.181 9.206 9.320 792 1HE LYS 100 1HE LYS 100 14.850 11.514 8.289 793 2HE LYS 100 2HE LYS 100 13.664 12.191 9.349 794 1HZ LYS 100 1HZ LYS 100 14.896 11.206 11.164 795 2HZ LYS 100 2HZ LYS 100 16.101 10.713 10.233 796 H ASP 101 H ASP 101 11.196 10.712 5.835 797 HA ASP 101 HA ASP 101 8.534 12.086 5.757 798 1HB ASP 101 1HB ASP 101 9.473 13.958 4.823 799 2HB ASP 101 2HB ASP 101 10.559 13.417 6.077 800 HD2 ASP 101 HD ASP 101 11.961 13.976 2.468 801 H GLY 102 H GLY 102 10.589 10.570 3.143 802 1HA GLY 102 1HA GLY 102 9.366 11.327 0.738 803 2HA GLY 102 2HA GLY 102 9.934 9.721 1.136 804 H LEU 103 H LEU 103 8.297 8.325 2.161 805 HA LEU 103 HA LEU 103 5.832 8.013 0.761 806 1HB LEU 103 1HB LEU 103 7.091 6.263 1.918 807 2HB LEU 103 2HB LEU 103 6.845 7.047 3.431 808 HG LEU 103 HG LEU 103 4.365 6.495 3.378 809 1HD1 LEU 103 1HD1 LEU 103 3.398 4.813 1.569 810 2HD1 LEU 103 2HD1 LEU 103 3.974 6.450 0.885 811 3HD1 LEU 103 3HD1 LEU 103 4.913 5.037 0.694 812 1HD2 LEU 103 1HD2 LEU 103 4.663 3.903 3.599 813 2HD2 LEU 103 2HD2 LEU 103 6.080 4.103 2.789 814 3HD2 LEU 103 3HD2 LEU 103 6.011 4.838 4.413 815 HA PRO 104 HA PRO 104 3.095 10.294 4.443 816 1HB PRO 104 1HB PRO 104 5.625 11.948 5.090 817 2HB PRO 104 2HB PRO 104 4.075 11.784 6.013 818 1HG PRO 104 1HG PRO 104 6.244 10.279 6.546 819 2HG PRO 104 2HG PRO 104 4.557 9.355 6.442 820 1HD PRO 104 1HD PRO 104 6.876 9.676 4.493 821 2HD PRO 104 2HD PRO 104 6.030 8.211 5.030 822 H THR 105 H THR 105 5.561 12.061 2.533 823 HA THR 105 HA THR 105 3.796 14.298 1.639 824 HB THR 105 HB THR 105 6.664 13.504 0.882 825 HG1 THR 105 1HG THR 105 7.197 15.266 1.909 826 1HG2 THR 105 1HG2 THR 105 5.449 14.766 -1.016 827 2HG2 THR 105 2HG2 THR 105 4.928 16.091 0.154 828 3HG2 THR 105 3HG2 THR 105 6.620 15.903 -0.260 829 H LEU 106 H LEU 106 4.996 11.419 -0.151 830 HA LEU 106 HA LEU 106 3.536 11.914 -2.563 831 1HB LEU 106 1HB LEU 106 5.439 10.204 -2.175 832 2HB LEU 106 2HB LEU 106 4.374 9.392 -1.089 833 HG LEU 106 HG LEU 106 2.832 8.771 -3.094 834 1HD1 LEU 106 1HD1 LEU 106 3.827 9.111 -5.434 835 2HD1 LEU 106 2HD1 LEU 106 3.416 10.577 -4.667 836 3HD1 LEU 106 3HD1 LEU 106 5.139 10.070 -4.650 837 1HD2 LEU 106 1HD2 LEU 106 4.206 6.833 -3.862 838 2HD2 LEU 106 2HD2 LEU 106 5.704 7.914 -3.481 839 3HD2 LEU 106 3HD2 LEU 106 4.696 7.227 -2.196 840 H VAL 107 H VAL 107 2.449 10.071 0.191 841 HA VAL 107 HA VAL 107 -0.169 9.412 -0.675 842 HB VAL 107 HB VAL 107 0.959 9.332 2.044 843 1HG1 VAL 107 1HG1 VAL 107 -1.480 9.313 2.678 844 2HG1 VAL 107 2HG1 VAL 107 -2.027 8.494 1.106 845 3HG1 VAL 107 3HG1 VAL 107 -1.119 7.587 2.273 846 1HG2 VAL 107 1HG2 VAL 107 1.325 7.068 1.643 847 2HG2 VAL 107 2HG2 VAL 107 0.445 7.035 0.157 848 3HG2 VAL 107 3HG2 VAL 107 2.071 7.875 0.365 849 H ALA 108 H ALA 108 0.624 11.921 1.887 850 HA ALA 108 HA ALA 108 -1.777 13.223 1.979 851 1HB ALA 108 1HB ALA 108 -0.541 15.277 2.500 852 2HB ALA 108 2HB ALA 108 0.354 13.853 3.204 853 3HB ALA 108 3HB ALA 108 0.877 14.613 1.676 854 H LYS 109 H LYS 109 0.683 13.799 -0.599 855 HA LYS 109 HA LYS 109 -0.701 15.877 -2.209 856 1HB LYS 109 1HB LYS 109 1.298 13.717 -3.001 857 2HB LYS 109 2HB LYS 109 0.528 14.591 -4.272 858 1HG LYS 109 1HG LYS 109 1.159 16.851 -3.310 859 2HG LYS 109 2HG LYS 109 2.143 16.062 -2.080 860 1HD LYS 109 1HD LYS 109 3.562 14.912 -3.696 861 2HD LYS 109 2HD LYS 109 2.636 15.493 -5.078 862 1HE LYS 109 1HE LYS 109 3.234 17.884 -4.717 863 2HE LYS 109 2HE LYS 109 3.978 17.450 -3.172 864 1HZ LYS 109 1HZ LYS 109 5.654 16.071 -4.264 865 2HZ LYS 109 2HZ LYS 109 5.099 16.568 -5.708 866 H HIS 110 H HIS 110 -0.977 12.191 -2.144 867 HA HIS 110 HA HIS 110 -2.932 12.062 -4.183 868 1HB HIS 110 1HB HIS 110 -1.412 9.894 -2.743 869 2HB HIS 110 2HB HIS 110 -2.781 9.520 -3.543 870 HD1 HIS 110 1HD HIS 110 -2.947 9.932 -6.144 871 HD2 HIS 110 2HD HIS 110 0.915 10.041 -4.423 872 HE1 HIS 110 1HE HIS 110 -1.143 10.428 -7.918 873 H ALA 111 H ALA 111 -3.269 11.468 -0.935 874 HA ALA 111 HA ALA 111 -6.086 11.090 -0.694 875 1HB ALA 111 1HB ALA 111 -5.912 11.850 1.674 876 2HB ALA 111 2HB ALA 111 -4.657 10.592 1.062 877 3HB ALA 111 3HB ALA 111 -4.211 12.304 1.131 878 H THR 112 H THR 112 -4.237 14.075 -0.568 879 HA THR 112 HA THR 112 -6.586 16.002 -0.617 880 HB THR 112 HB THR 112 -3.806 16.449 -1.918 881 HG1 THR 112 1HG THR 112 -5.015 17.159 0.646 882 1HG2 THR 112 1HG2 THR 112 -5.536 18.176 -2.773 883 2HG2 THR 112 2HG2 THR 112 -6.200 18.294 -1.037 884 3HG2 THR 112 3HG2 THR 112 -4.614 18.868 -1.496 885 H ALA 113 H ALA 113 -4.712 15.250 -3.644 886 HA ALA 113 HA ALA 113 -6.641 15.726 -5.756 887 1HB ALA 113 1HB ALA 113 -4.126 14.058 -5.706 888 2HB ALA 113 2HB ALA 113 -5.011 14.398 -7.185 889 3HB ALA 113 3HB ALA 113 -4.325 15.771 -6.142 890 HXT ALA 113 HO ALA 113 -8.205 12.935 -6.934 Start of MODEL 11 1 1H ALA 1 1H ALA 1 -13.328 10.007 16.359 2 2H ALA 1 2H ALA 1 -14.022 8.681 16.932 3 HA ALA 1 HA ALA 1 -11.088 9.069 16.756 4 1HB ALA 1 1HB ALA 1 -10.888 6.622 17.160 5 2HB ALA 1 2HB ALA 1 -11.572 7.448 18.553 6 3HB ALA 1 3HB ALA 1 -12.592 6.474 17.470 7 H GLU 2 H GLU 2 -10.454 9.064 14.695 8 HA GLU 2 HA GLU 2 -11.776 7.397 12.578 9 1HB GLU 2 1HB GLU 2 -13.074 9.701 12.725 10 2HB GLU 2 2HB GLU 2 -11.651 10.463 12.100 11 1HG GLU 2 1HG GLU 2 -11.822 9.199 9.932 12 2HG GLU 2 2HG GLU 2 -13.073 8.136 10.609 13 HE2 GLU 2 HE GLU 2 -15.576 10.253 9.737 14 H GLU 3 H GLU 3 -10.194 6.672 11.412 15 HA GLU 3 HA GLU 3 -7.780 8.055 10.486 16 1HB GLU 3 1HB GLU 3 -5.979 6.781 11.474 17 2HB GLU 3 2HB GLU 3 -6.781 7.747 12.713 18 1HG GLU 3 1HG GLU 3 -8.069 5.755 13.543 19 2HG GLU 3 2HG GLU 3 -7.240 4.757 12.395 20 HE2 GLU 3 HE GLU 3 -4.534 4.108 14.423 21 H GLY 4 H GLY 4 -6.268 6.781 9.544 22 1HA GLY 4 1HA GLY 4 -7.198 4.816 7.513 23 2HA GLY 4 2HA GLY 4 -5.567 5.466 7.772 24 H GLN 5 H GLN 5 -5.785 2.717 7.453 25 HA GLN 5 HA GLN 5 -5.138 1.483 10.095 26 1HB GLN 5 1HB GLN 5 -6.862 -0.010 10.143 27 2HB GLN 5 2HB GLN 5 -7.603 1.541 9.909 28 1HG GLN 5 1HG GLN 5 -7.803 0.771 7.298 29 2HG GLN 5 2HG GLN 5 -7.472 -0.766 7.918 30 1HE2 GLN 5 1HE2 GLN 5 -10.064 1.586 7.890 31 2HE2 GLN 5 2HE2 GLN 5 -11.260 0.527 8.728 32 H VAL 6 H VAL 6 -3.602 0.227 9.761 33 HA VAL 6 HA VAL 6 -2.551 -0.763 7.129 34 HB VAL 6 HB VAL 6 -1.178 -0.324 9.936 35 1HG1 VAL 6 1HG1 VAL 6 0.753 -1.429 9.079 36 2HG1 VAL 6 2HG1 VAL 6 -0.565 -2.484 8.957 37 3HG1 VAL 6 3HG1 VAL 6 -0.073 -1.730 7.466 38 1HG2 VAL 6 1HG2 VAL 6 -0.735 0.735 7.114 39 2HG2 VAL 6 2HG2 VAL 6 -1.311 1.720 8.477 40 3HG2 VAL 6 3HG2 VAL 6 0.329 0.964 8.524 41 H ILE 7 H ILE 7 -3.297 -2.644 6.778 42 HA ILE 7 HA ILE 7 -3.899 -4.864 8.605 43 HB ILE 7 HB ILE 7 -5.878 -3.668 7.631 44 1HG1 ILE 7 1HG1 ILE 7 -6.274 -5.617 8.839 45 2HG1 ILE 7 2HG1 ILE 7 -7.312 -5.583 7.480 46 1HG2 ILE 7 1HG2 ILE 7 -6.770 -4.171 5.522 47 2HG2 ILE 7 2HG2 ILE 7 -5.179 -3.508 5.316 48 3HG2 ILE 7 3HG2 ILE 7 -5.287 -5.185 4.949 49 1HD1 ILE 7 1HD1 ILE 7 -5.561 -7.340 6.333 50 2HD1 ILE 7 2HD1 ILE 7 -4.997 -7.489 8.062 51 3HD1 ILE 7 3HD1 ILE 7 -6.668 -7.877 7.709 52 H ALA 8 H ALA 8 -3.009 -6.570 8.342 53 HA ALA 8 HA ALA 8 -0.838 -7.327 6.409 54 1HB ALA 8 1HB ALA 8 -0.471 -9.259 7.594 55 2HB ALA 8 2HB ALA 8 -0.641 -7.899 8.739 56 3HB ALA 8 3HB ALA 8 -1.952 -9.226 8.462 57 H CYS 9 H CYS 9 -0.729 -8.489 4.859 58 HA CYS 9 HA CYS 9 -3.002 -10.059 3.622 59 1HB CYS 9 1HB CYS 9 -1.346 -7.998 2.026 60 2HB CYS 9 2HB CYS 9 -2.457 -9.046 1.253 61 HG CYS 9 HG CYS 9 -4.635 -8.459 2.901 62 H HIS 10 H HIS 10 -2.408 -11.882 2.879 63 HA HIS 10 HA HIS 10 0.444 -12.609 2.267 64 1HB HIS 10 1HB HIS 10 -1.436 -13.853 4.430 65 2HB HIS 10 2HB HIS 10 -0.173 -14.844 3.838 66 HD1 HIS 10 1HD HIS 10 -1.003 -12.061 6.244 67 HD2 HIS 10 2HD HIS 10 2.377 -13.388 4.050 68 HE1 HIS 10 1HE HIS 10 1.195 -11.116 7.247 69 H THR 11 H THR 11 -2.904 -13.159 1.357 70 HA THR 11 HA THR 11 -2.400 -15.598 -0.318 71 HB THR 11 HB THR 11 -4.438 -16.590 0.862 72 HG1 THR 11 1HG THR 11 -5.040 -15.562 2.843 73 1HG2 THR 11 1HG2 THR 11 -3.507 -17.091 3.104 74 2HG2 THR 11 2HG2 THR 11 -2.317 -17.376 1.815 75 3HG2 THR 11 3HG2 THR 11 -2.161 -15.908 2.829 76 H VAL 12 H VAL 12 -4.785 -16.231 -1.388 77 HA VAL 12 HA VAL 12 -5.757 -14.117 -3.115 78 HB VAL 12 HB VAL 12 -5.859 -16.476 -3.567 79 1HG1 VAL 12 1HG1 VAL 12 -8.230 -16.693 -1.650 80 2HG1 VAL 12 2HG1 VAL 12 -7.566 -17.969 -2.767 81 3HG1 VAL 12 3HG1 VAL 12 -6.630 -17.312 -1.302 82 1HG2 VAL 12 1HG2 VAL 12 -8.687 -15.252 -3.801 83 2HG2 VAL 12 2HG2 VAL 12 -7.325 -14.790 -4.772 84 3HG2 VAL 12 3HG2 VAL 12 -7.953 -16.462 -4.840 85 H ASP 13 H ASP 13 -6.625 -14.613 0.212 86 HA ASP 13 HA ASP 13 -8.924 -13.070 0.419 87 1HB ASP 13 1HB ASP 13 -6.686 -13.030 2.596 88 2HB ASP 13 2HB ASP 13 -8.316 -12.536 2.758 89 HD2 ASP 13 HD ASP 13 -9.940 -13.930 2.388 90 H THR 14 H THR 14 -5.558 -11.657 0.233 91 HA THR 14 HA THR 14 -6.467 -8.985 0.136 92 HB THR 14 HB THR 14 -4.150 -9.833 0.546 93 HG1 THR 14 1HG THR 14 -3.357 -7.853 -0.237 94 1HG2 THR 14 1HG2 THR 14 -3.655 -9.446 -2.536 95 2HG2 THR 14 2HG2 THR 14 -2.476 -9.841 -1.336 96 3HG2 THR 14 3HG2 THR 14 -3.798 -11.070 -1.789 97 H TRP 15 H TRP 15 -6.513 -11.254 -2.344 98 HA TRP 15 HA TRP 15 -6.945 -9.455 -4.740 99 1HB TRP 15 1HB TRP 15 -7.417 -12.366 -4.395 100 2HB TRP 15 2HB TRP 15 -8.316 -11.569 -5.697 101 HD1 TRP 15 HD TRP 15 -4.754 -12.755 -4.819 102 HE1 TRP 15 1HE TRP 15 -3.256 -12.646 -6.844 103 HE3 TRP 15 3HE TRP 15 -7.888 -9.729 -7.732 104 HZ2 TRP 15 2HZ TRP 15 -3.598 -11.600 -9.427 105 HZ3 TRP 15 3HZ TRP 15 -7.426 -9.759 -10.183 106 HH2 TRP 15 HH TRP 15 -5.563 -10.810 -11.075 107 H LYS 16 H LYS 16 -9.071 -11.088 -2.423 108 HA LYS 16 HA LYS 16 -11.414 -9.537 -3.214 109 1HB LYS 16 1HB LYS 16 -11.354 -10.610 -0.323 110 2HB LYS 16 2HB LYS 16 -12.761 -10.211 -1.305 111 1HG LYS 16 1HG LYS 16 -12.394 -12.138 -2.862 112 2HG LYS 16 2HG LYS 16 -10.871 -12.515 -2.022 113 1HD LYS 16 1HD LYS 16 -13.618 -12.646 -0.703 114 2HD LYS 16 2HD LYS 16 -12.830 -13.985 -1.429 115 1HE LYS 16 1HE LYS 16 -11.009 -14.042 -0.045 116 2HE LYS 16 2HE LYS 16 -11.373 -12.504 0.761 117 1HZ LYS 16 1HZ LYS 16 -12.119 -14.292 2.118 118 2HZ LYS 16 2HZ LYS 16 -13.423 -13.604 1.541 119 H GLU 17 H GLU 17 -9.131 -8.770 -0.783 120 HA GLU 17 HA GLU 17 -10.532 -6.496 0.475 121 1HB GLU 17 1HB GLU 17 -7.675 -7.493 0.861 122 2HB GLU 17 2HB GLU 17 -8.186 -5.914 1.449 123 1HG GLU 17 1HG GLU 17 -10.050 -6.915 2.748 124 2HG GLU 17 2HG GLU 17 -9.513 -8.482 2.152 125 HE2 GLU 17 HE GLU 17 -6.843 -6.963 4.621 126 H HIS 18 H HIS 18 -7.510 -6.562 -1.471 127 HA HIS 18 HA HIS 18 -7.233 -3.711 -2.014 128 1HB HIS 18 1HB HIS 18 -5.542 -5.610 -2.380 129 2HB HIS 18 2HB HIS 18 -6.415 -6.105 -3.740 130 HD1 HIS 18 1HD HIS 18 -6.400 -4.550 -6.066 131 HD2 HIS 18 2HD HIS 18 -3.491 -4.270 -3.031 132 HE1 HIS 18 1HE HIS 18 -4.378 -3.430 -7.077 133 H PHE 19 H PHE 19 -8.677 -6.048 -4.072 134 HA PHE 19 HA PHE 19 -9.243 -4.184 -6.119 135 1HB PHE 19 1HB PHE 19 -9.061 -6.720 -6.604 136 2HB PHE 19 2HB PHE 19 -10.769 -6.780 -6.183 137 HD1 PHE 19 1HD PHE 19 -12.213 -6.493 -8.157 138 HD2 PHE 19 2HD PHE 19 -8.323 -4.666 -8.308 139 HE1 PHE 19 1HE PHE 19 -12.586 -5.771 -10.491 140 HE2 PHE 19 2HE PHE 19 -8.659 -3.923 -10.522 141 HZ PHE 19 HZ PHE 19 -10.757 -4.453 -11.736 142 H GLU 20 H GLU 20 -11.649 -5.857 -4.114 143 HA GLU 20 HA GLU 20 -13.892 -4.299 -4.749 144 1HB GLU 20 1HB GLU 20 -13.388 -5.873 -2.197 145 2HB GLU 20 2HB GLU 20 -14.965 -5.199 -2.714 146 1HG GLU 20 1HG GLU 20 -13.422 -7.075 -4.503 147 2HG GLU 20 2HG GLU 20 -14.511 -7.733 -3.269 148 HE2 GLU 20 HE GLU 20 -17.497 -6.550 -4.870 149 H LYS 21 H LYS 21 -12.074 -3.676 -1.588 150 HA LYS 21 HA LYS 21 -13.197 -1.219 -1.007 151 1HB LYS 21 1HB LYS 21 -10.225 -1.932 -0.630 152 2HB LYS 21 2HB LYS 21 -11.048 -0.575 0.159 153 1HG LYS 21 1HG LYS 21 -11.827 -3.524 0.650 154 2HG LYS 21 2HG LYS 21 -10.623 -2.523 1.519 155 1HD LYS 21 1HD LYS 21 -12.605 -0.689 1.881 156 2HD LYS 21 2HD LYS 21 -13.723 -1.902 1.330 157 1HE LYS 21 1HE LYS 21 -13.651 -1.792 3.797 158 2HE LYS 21 2HE LYS 21 -12.934 -3.389 3.406 159 1HZ LYS 21 1HZ LYS 21 -11.089 -1.136 3.578 160 2HZ LYS 21 2HZ LYS 21 -11.737 -1.595 4.992 161 H GLY 22 H GLY 22 -10.142 -1.452 -2.874 162 1HA GLY 22 1HA GLY 22 -9.618 1.170 -3.692 163 2HA GLY 22 2HA GLY 22 -9.169 -0.228 -4.620 164 H LYS 23 H LYS 23 -10.699 -0.875 -6.235 165 HA LYS 23 HA LYS 23 -12.750 1.021 -7.265 166 1HB LYS 23 1HB LYS 23 -11.399 -0.493 -8.752 167 2HB LYS 23 2HB LYS 23 -12.090 -1.842 -8.064 168 1HG LYS 23 1HG LYS 23 -14.553 -0.711 -8.797 169 2HG LYS 23 2HG LYS 23 -13.611 0.291 -9.776 170 1HD LYS 23 1HD LYS 23 -13.584 -2.804 -9.797 171 2HD LYS 23 2HD LYS 23 -14.621 -1.767 -10.730 172 1HE LYS 23 1HE LYS 23 -11.578 -1.858 -10.933 173 2HE LYS 23 2HE LYS 23 -12.535 -2.750 -12.075 174 1HZ LYS 23 1HZ LYS 23 -12.631 0.235 -11.835 175 2HZ LYS 23 2HZ LYS 23 -11.840 -0.599 -12.978 176 H GLY 24 H GLY 24 -14.273 1.194 -6.062 177 1HA GLY 24 1HA GLY 24 -16.598 -0.098 -6.268 178 2HA GLY 24 2HA GLY 24 -16.037 -1.036 -4.914 179 H SER 25 H SER 25 -14.758 0.945 -3.598 180 HA SER 25 HA SER 25 -16.904 2.360 -2.033 181 1HB SER 25 1HB SER 25 -14.139 1.533 -1.025 182 2HB SER 25 2HB SER 25 -15.276 2.376 -0.127 183 HG SER 25 HG SER 25 -15.859 -0.132 -1.335 184 H GLN 26 H GLN 26 -16.783 4.371 -2.372 185 HA GLN 26 HA GLN 26 -14.639 5.948 -3.606 186 1HB GLN 26 1HB GLN 26 -17.077 6.858 -2.079 187 2HB GLN 26 2HB GLN 26 -15.911 7.867 -2.870 188 1HG GLN 26 1HG GLN 26 -17.518 7.931 -4.487 189 2HG GLN 26 2HG GLN 26 -16.236 6.720 -5.026 190 1HE2 GLN 26 1HE2 GLN 26 -17.302 5.037 -5.907 191 2HE2 GLN 26 2HE2 GLN 26 -18.947 4.319 -5.419 192 H LYS 27 H LYS 27 -12.989 5.089 -2.559 193 HA LYS 27 HA LYS 27 -11.623 7.017 -0.696 194 1HB LYS 27 1HB LYS 27 -10.824 5.243 0.900 195 2HB LYS 27 2HB LYS 27 -12.668 5.570 0.946 196 1HG LYS 27 1HG LYS 27 -13.099 3.424 0.006 197 2HG LYS 27 2HG LYS 27 -11.613 3.201 -0.748 198 1HD LYS 27 1HD LYS 27 -11.955 1.711 1.136 199 2HD LYS 27 2HD LYS 27 -10.555 2.733 1.514 200 1HE LYS 27 1HE LYS 27 -12.088 4.165 3.051 201 2HE LYS 27 2HE LYS 27 -13.417 3.066 2.514 202 1HZ LYS 27 1HZ LYS 27 -10.904 2.215 3.683 203 2HZ LYS 27 2HZ LYS 27 -12.123 2.620 4.637 204 H LEU 28 H LEU 28 -9.427 6.518 -0.384 205 HA LEU 28 HA LEU 28 -7.940 5.496 -2.713 206 1HB LEU 28 1HB LEU 28 -7.723 7.933 -2.118 207 2HB LEU 28 2HB LEU 28 -7.375 7.448 -0.438 208 HG LEU 28 HG LEU 28 -5.215 6.442 -1.443 209 1HD1 LEU 28 1HD1 LEU 28 -4.379 7.574 -3.704 210 2HD1 LEU 28 2HD1 LEU 28 -5.744 6.487 -3.958 211 3HD1 LEU 28 3HD1 LEU 28 -6.049 8.117 -4.005 212 1HD2 LEU 28 1HD2 LEU 28 -4.140 8.848 -1.284 213 2HD2 LEU 28 2HD2 LEU 28 -5.801 9.474 -1.552 214 3HD2 LEU 28 3HD2 LEU 28 -5.472 8.567 -0.138 215 H ILE 29 H ILE 29 -6.522 4.014 -2.351 216 HA ILE 29 HA ILE 29 -6.035 2.864 0.312 217 HB ILE 29 HB ILE 29 -6.392 0.715 -0.106 218 1HG1 ILE 29 1HG1 ILE 29 -7.446 1.007 -3.101 219 2HG1 ILE 29 2HG1 ILE 29 -5.660 0.725 -2.678 220 1HG2 ILE 29 1HG2 ILE 29 -8.590 0.290 0.087 221 2HG2 ILE 29 2HG2 ILE 29 -8.512 1.980 0.356 222 3HG2 ILE 29 3HG2 ILE 29 -9.099 1.269 -1.270 223 1HD1 ILE 29 1HD1 ILE 29 -6.967 -1.293 -3.222 224 2HD1 ILE 29 2HD1 ILE 29 -6.063 -1.416 -1.692 225 3HD1 ILE 29 3HD1 ILE 29 -7.906 -1.195 -1.771 226 H VAL 30 H VAL 30 -4.043 2.277 0.420 227 HA VAL 30 HA VAL 30 -1.939 2.447 -1.730 228 HB VAL 30 HB VAL 30 -1.827 3.055 1.199 229 1HG1 VAL 30 1HG1 VAL 30 0.425 4.139 -0.933 230 2HG1 VAL 30 2HG1 VAL 30 0.495 4.216 0.882 231 3HG1 VAL 30 3HG1 VAL 30 0.635 2.737 0.156 232 1HG2 VAL 30 1HG2 VAL 30 -1.711 5.603 0.675 233 2HG2 VAL 30 2HG2 VAL 30 -1.804 5.197 -1.089 234 3HG2 VAL 30 3HG2 VAL 30 -3.262 4.926 0.044 235 H VAL 31 H VAL 31 -0.381 0.979 -1.702 236 HA VAL 31 HA VAL 31 -0.408 -1.314 0.128 237 HB VAL 31 HB VAL 31 -1.941 -1.984 -1.179 238 1HG1 VAL 31 1HG1 VAL 31 -1.946 -0.676 -2.979 239 2HG1 VAL 31 2HG1 VAL 31 -0.408 -1.230 -3.617 240 3HG1 VAL 31 3HG1 VAL 31 -1.840 -2.389 -3.626 241 1HG2 VAL 31 1HG2 VAL 31 -1.305 -4.262 -1.522 242 2HG2 VAL 31 2HG2 VAL 31 0.179 -3.874 -2.307 243 3HG2 VAL 31 3HG2 VAL 31 0.093 -3.730 -0.623 244 H ASP 32 H ASP 32 1.483 -1.408 0.912 245 HA ASP 32 HA ASP 32 4.017 -1.470 -0.642 246 1HB ASP 32 1HB ASP 32 3.729 -1.109 2.010 247 2HB ASP 32 2HB ASP 32 3.864 -2.911 1.970 248 HD2 ASP 32 HD ASP 32 7.163 -1.698 0.308 249 H PHE 33 H PHE 33 5.169 -3.008 -1.371 250 HA PHE 33 HA PHE 33 4.326 -5.929 -1.607 251 1HB PHE 33 1HB PHE 33 5.364 -3.957 -3.656 252 2HB PHE 33 2HB PHE 33 5.199 -5.731 -4.009 253 HD1 PHE 33 1HD PHE 33 2.670 -6.773 -3.577 254 HD2 PHE 33 2HD PHE 33 3.481 -2.621 -4.236 255 HE1 PHE 33 1HE PHE 33 0.437 -6.356 -3.869 256 HE2 PHE 33 2HE PHE 33 1.223 -2.408 -4.867 257 HZ PHE 33 HZ PHE 33 -0.412 -4.312 -4.756 258 H THR 34 H THR 34 5.943 -6.990 -0.273 259 HA THR 34 HA THR 34 8.777 -5.826 -0.114 260 HB THR 34 HB THR 34 7.766 -4.278 1.449 261 HG1 THR 34 1HG THR 34 9.073 -5.446 3.412 262 1HG2 THR 34 1HG2 THR 34 5.611 -5.271 2.475 263 2HG2 THR 34 2HG2 THR 34 6.654 -6.706 2.978 264 3HG2 THR 34 3HG2 THR 34 6.819 -5.102 3.789 265 H ALA 35 H ALA 35 9.847 -7.314 0.619 266 HA ALA 35 HA ALA 35 8.983 -10.253 0.927 267 1HB ALA 35 1HB ALA 35 11.419 -10.464 0.869 268 2HB ALA 35 2HB ALA 35 10.695 -9.625 -0.536 269 3HB ALA 35 3HB ALA 35 11.760 -8.743 0.686 270 H SER 36 H SER 36 9.248 -11.287 2.829 271 HA SER 36 HA SER 36 9.239 -10.155 5.443 272 1HB SER 36 1HB SER 36 8.694 -12.711 4.463 273 2HB SER 36 2HB SER 36 10.291 -13.027 5.393 274 HG SER 36 HG SER 36 7.854 -11.940 6.291 275 H TRP 37 H TRP 37 11.791 -11.077 3.674 276 HA TRP 37 HA TRP 37 13.919 -10.527 5.528 277 1HB TRP 37 1HB TRP 37 15.552 -11.051 3.479 278 2HB TRP 37 2HB TRP 37 14.530 -12.346 4.221 279 HD1 TRP 37 HD TRP 37 12.611 -13.618 2.620 280 HE1 TRP 37 1HE TRP 37 12.219 -13.743 0.110 281 HE3 TRP 37 3HE TRP 37 15.771 -9.829 1.243 282 HZ2 TRP 37 2HZ TRP 37 12.996 -12.306 -2.145 283 HZ3 TRP 37 3HZ TRP 37 16.001 -9.156 -1.062 284 HH2 TRP 37 HH TRP 37 14.709 -10.286 -2.747 285 H CYS 38 H CYS 38 13.448 -8.290 5.770 286 HA CYS 38 HA CYS 38 14.628 -6.325 3.787 287 1HB CYS 38 1HB CYS 38 12.574 -6.765 2.564 288 2HB CYS 38 2HB CYS 38 11.607 -6.249 4.034 289 HG CYS 38 HG CYS 38 12.520 -4.477 1.784 290 HA PRO 39 HA PRO 39 14.992 -4.623 8.228 291 1HB PRO 39 1HB PRO 39 17.530 -3.466 6.923 292 2HB PRO 39 2HB PRO 39 17.283 -4.351 8.451 293 1HG PRO 39 1HG PRO 39 18.430 -5.496 6.315 294 2HG PRO 39 2HG PRO 39 17.512 -6.501 7.505 295 1HD PRO 39 1HD PRO 39 16.701 -5.671 4.723 296 2HD PRO 39 2HD PRO 39 16.361 -7.045 5.517 297 HA PRO 40 HA PRO 40 14.705 -0.114 6.055 298 1HB PRO 40 1HB PRO 40 13.896 -0.974 3.263 299 2HB PRO 40 2HB PRO 40 14.687 0.533 3.837 300 1HG PRO 40 1HG PRO 40 16.474 -1.346 2.865 301 2HG PRO 40 2HG PRO 40 16.787 -0.670 4.480 302 1HD PRO 40 1HD PRO 40 15.426 -3.433 4.114 303 2HD PRO 40 2HD PRO 40 16.848 -2.970 5.090 304 H CYS 41 H CYS 41 12.578 -2.603 4.801 305 HA CYS 41 HA CYS 41 10.109 -1.122 5.477 306 1HB CYS 41 1HB CYS 41 10.065 -3.976 4.579 307 2HB CYS 41 2HB CYS 41 8.695 -2.954 4.844 308 HG CYS 41 HG CYS 41 8.739 -2.394 2.687 309 H LYS 42 H LYS 42 12.102 -3.359 7.270 310 HA LYS 42 HA LYS 42 10.309 -3.694 9.496 311 1HB LYS 42 1HB LYS 42 12.520 -5.024 9.098 312 2HB LYS 42 2HB LYS 42 13.371 -3.561 9.809 313 1HG LYS 42 1HG LYS 42 12.148 -3.799 11.879 314 2HG LYS 42 2HG LYS 42 10.960 -4.869 11.149 315 1HD LYS 42 1HD LYS 42 13.046 -6.563 10.724 316 2HD LYS 42 2HD LYS 42 13.871 -5.403 11.828 317 1HE LYS 42 1HE LYS 42 12.984 -7.338 13.188 318 2HE LYS 42 2HE LYS 42 12.085 -5.902 13.673 319 1HZ LYS 42 1HZ LYS 42 10.257 -6.781 12.937 320 2HZ LYS 42 2HZ LYS 42 10.803 -7.185 11.462 321 H MET 43 H MET 43 12.456 -1.030 8.773 322 HA MET 43 HA MET 43 11.185 0.754 10.904 323 1HB MET 43 1HB MET 43 12.320 2.737 10.022 324 2HB MET 43 2HB MET 43 13.327 1.417 10.615 325 1HG MET 43 1HG MET 43 13.823 0.834 8.185 326 2HG MET 43 2HG MET 43 12.628 2.002 7.679 327 1HE MET 43 1HE MET 43 16.133 2.336 6.877 328 2HE MET 43 2HE MET 43 14.582 2.700 6.087 329 3HE MET 43 3HE MET 43 15.672 4.014 6.531 330 H ILE 44 H ILE 44 10.762 0.798 7.356 331 HA ILE 44 HA ILE 44 8.483 2.445 7.403 332 HB ILE 44 HB ILE 44 9.775 0.976 5.293 333 1HG1 ILE 44 1HG1 ILE 44 8.384 2.662 3.910 334 2HG1 ILE 44 2HG1 ILE 44 7.581 3.219 5.286 335 1HG2 ILE 44 1HG2 ILE 44 6.790 0.470 4.731 336 2HG2 ILE 44 2HG2 ILE 44 8.325 0.144 3.862 337 3HG2 ILE 44 3HG2 ILE 44 8.089 -0.721 5.318 338 1HD1 ILE 44 1HD1 ILE 44 10.433 3.582 4.760 339 2HD1 ILE 44 2HD1 ILE 44 9.103 4.724 4.828 340 3HD1 ILE 44 3HD1 ILE 44 9.731 4.053 6.296 341 H ALA 45 H ALA 45 8.190 -0.838 8.274 342 HA ALA 45 HA ALA 45 5.318 -0.982 8.158 343 1HB ALA 45 1HB ALA 45 7.408 -2.584 9.964 344 2HB ALA 45 2HB ALA 45 5.636 -2.873 9.778 345 3HB ALA 45 3HB ALA 45 6.709 -3.038 8.390 346 HA PRO 46 HA PRO 46 4.987 1.339 12.562 347 1HB PRO 46 1HB PRO 46 7.960 2.225 12.412 348 2HB PRO 46 2HB PRO 46 6.899 2.018 13.958 349 1HG PRO 46 1HG PRO 46 8.781 0.230 13.366 350 2HG PRO 46 2HG PRO 46 7.166 -0.329 13.879 351 1HD PRO 46 1HD PRO 46 8.401 -0.178 11.058 352 2HD PRO 46 2HD PRO 46 7.304 -1.443 11.699 353 H ILE 47 H ILE 47 7.141 2.744 9.941 354 HA ILE 47 HA ILE 47 5.951 5.455 10.288 355 HB ILE 47 HB ILE 47 7.408 4.143 7.983 356 1HG1 ILE 47 1HG1 ILE 47 8.952 4.325 9.804 357 2HG1 ILE 47 2HG1 ILE 47 9.349 5.437 8.464 358 1HG2 ILE 47 1HG2 ILE 47 6.075 5.821 6.930 359 2HG2 ILE 47 2HG2 ILE 47 6.474 7.086 8.007 360 3HG2 ILE 47 3HG2 ILE 47 7.744 6.380 6.916 361 1HD1 ILE 47 1HD1 ILE 47 9.590 6.574 10.795 362 2HD1 ILE 47 2HD1 ILE 47 8.454 7.423 9.789 363 3HD1 ILE 47 3HD1 ILE 47 7.834 6.386 11.100 364 H PHE 48 H PHE 48 5.138 2.811 8.104 365 HA PHE 48 HA PHE 48 2.800 3.884 6.890 366 1HB PHE 48 1HB PHE 48 4.054 1.316 7.036 367 2HB PHE 48 2HB PHE 48 2.616 1.012 7.866 368 HD1 PHE 48 1HD PHE 48 1.855 -0.637 6.375 369 HD2 PHE 48 2HD PHE 48 3.104 3.143 4.728 370 HE1 PHE 48 1HE PHE 48 1.123 -1.322 4.069 371 HE2 PHE 48 2HE PHE 48 2.276 2.397 2.475 372 HZ PHE 48 HZ PHE 48 1.323 0.233 2.198 373 H ALA 49 H ALA 49 2.975 2.327 9.967 374 HA ALA 49 HA ALA 49 0.137 2.746 10.794 375 1HB ALA 49 1HB ALA 49 1.207 0.870 11.739 376 2HB ALA 49 2HB ALA 49 2.695 1.775 12.211 377 3HB ALA 49 3HB ALA 49 1.072 2.033 13.053 378 H GLU 50 H GLU 50 3.079 4.623 11.551 379 HA GLU 50 HA GLU 50 1.647 6.732 13.035 380 1HB GLU 50 1HB GLU 50 4.245 6.239 12.996 381 2HB GLU 50 2HB GLU 50 4.380 6.985 11.475 382 1HG GLU 50 1HG GLU 50 3.715 9.236 12.572 383 2HG GLU 50 2HG GLU 50 3.177 8.326 13.965 384 HE2 GLU 50 HE GLU 50 6.276 8.058 15.456 385 H LEU 51 H LEU 51 2.559 6.592 9.709 386 HA LEU 51 HA LEU 51 1.248 8.918 8.709 387 1HB LEU 51 1HB LEU 51 3.178 7.916 7.618 388 2HB LEU 51 2HB LEU 51 2.314 6.352 7.418 389 HG LEU 51 HG LEU 51 2.890 7.927 5.476 390 1HD1 LEU 51 1HD1 LEU 51 -0.034 6.795 5.762 391 2HD1 LEU 51 2HD1 LEU 51 0.879 7.215 4.183 392 3HD1 LEU 51 3HD1 LEU 51 1.420 5.873 5.315 393 1HD2 LEU 51 1HD2 LEU 51 1.802 10.144 6.468 394 2HD2 LEU 51 2HD2 LEU 51 1.082 9.741 4.868 395 3HD2 LEU 51 3HD2 LEU 51 0.213 9.280 6.350 396 H ALA 52 H ALA 52 0.028 5.663 8.915 397 HA ALA 52 HA ALA 52 -2.712 6.226 7.727 398 1HB ALA 52 1HB ALA 52 -1.918 3.802 7.850 399 2HB ALA 52 2HB ALA 52 -1.778 3.933 9.602 400 3HB ALA 52 3HB ALA 52 -3.313 4.146 8.776 401 H LYS 53 H LYS 53 -1.363 6.369 10.916 402 HA LYS 53 HA LYS 53 -3.816 7.236 12.403 403 1HB LYS 53 1HB LYS 53 -0.933 7.687 13.169 404 2HB LYS 53 2HB LYS 53 -2.224 8.318 14.152 405 1HG LYS 53 1HG LYS 53 -3.081 6.269 14.798 406 2HG LYS 53 2HG LYS 53 -2.144 5.338 13.635 407 1HD LYS 53 1HD LYS 53 -0.059 5.775 14.657 408 2HD LYS 53 2HD LYS 53 -0.720 6.949 15.773 409 1HE LYS 53 1HE LYS 53 -2.253 5.067 16.651 410 2HE LYS 53 2HE LYS 53 -1.385 3.937 15.549 411 1HZ LYS 53 1HZ LYS 53 -0.150 5.567 17.776 412 2HZ LYS 53 2HZ LYS 53 -0.549 4.026 17.963 413 H LYS 54 H LYS 54 -1.467 9.100 10.503 414 HA LYS 54 HA LYS 54 -2.356 11.759 11.164 415 1HB LYS 54 1HB LYS 54 -0.081 10.947 10.514 416 2HB LYS 54 2HB LYS 54 -0.617 10.852 8.821 417 1HG LYS 54 1HG LYS 54 -1.216 13.320 9.018 418 2HG LYS 54 2HG LYS 54 -0.625 13.476 10.609 419 1HD LYS 54 1HD LYS 54 0.941 12.560 8.157 420 2HD LYS 54 2HD LYS 54 0.956 14.230 8.824 421 1HE LYS 54 1HE LYS 54 1.922 13.328 10.952 422 2HE LYS 54 2HE LYS 54 2.110 11.642 10.199 423 1HZ LYS 54 1HZ LYS 54 4.029 13.369 10.144 424 2HZ LYS 54 2HZ LYS 54 3.874 12.377 8.860 425 H PHE 55 H PHE 55 -3.245 9.444 8.778 426 HA PHE 55 HA PHE 55 -4.825 11.346 7.098 427 1HB PHE 55 1HB PHE 55 -2.563 9.406 6.638 428 2HB PHE 55 2HB PHE 55 -3.696 9.275 5.493 429 HD1 PHE 55 1HD PHE 55 -0.920 11.063 6.607 430 HD2 PHE 55 2HD PHE 55 -4.627 11.815 4.484 431 HE1 PHE 55 1HE PHE 55 -0.029 13.125 5.573 432 HE2 PHE 55 2HE PHE 55 -3.611 13.937 3.583 433 HZ PHE 55 HZ PHE 55 -1.468 14.599 4.288 434 HA PRO 56 HA PRO 56 -8.199 8.316 8.092 435 1HB PRO 56 1HB PRO 56 -10.343 9.921 8.171 436 2HB PRO 56 2HB PRO 56 -9.026 9.728 9.460 437 1HG PRO 56 1HG PRO 56 -9.168 11.846 7.218 438 2HG PRO 56 2HG PRO 56 -8.903 12.193 8.922 439 1HD PRO 56 1HD PRO 56 -6.828 11.993 7.101 440 2HD PRO 56 2HD PRO 56 -6.650 11.509 8.838 441 H ASN 57 H ASN 57 -8.131 9.765 4.892 442 HA ASN 57 HA ASN 57 -10.776 8.931 3.910 443 1HB ASN 57 1HB ASN 57 -10.245 10.063 2.008 444 2HB ASN 57 2HB ASN 57 -10.197 11.057 3.445 445 1HD2 ASN 57 2HD2 ASN 57 -8.525 12.667 3.616 446 2HD2 ASN 57 1HD2 ASN 57 -6.990 12.457 2.607 447 H VAL 58 H VAL 58 -8.001 7.418 4.700 448 HA VAL 58 HA VAL 58 -7.447 5.975 2.141 449 HB VAL 58 HB VAL 58 -6.359 7.958 1.830 450 1HG1 VAL 58 1HG1 VAL 58 -4.972 7.493 4.465 451 2HG1 VAL 58 2HG1 VAL 58 -4.516 8.779 3.375 452 3HG1 VAL 58 3HG1 VAL 58 -6.164 8.839 4.096 453 1HG2 VAL 58 1HG2 VAL 58 -5.045 5.943 1.067 454 2HG2 VAL 58 2HG2 VAL 58 -4.016 7.292 1.565 455 3HG2 VAL 58 3HG2 VAL 58 -4.257 6.020 2.687 456 H THR 59 H THR 59 -7.611 4.082 2.525 457 HA THR 59 HA THR 59 -6.756 2.722 4.961 458 HB THR 59 HB THR 59 -8.157 1.801 2.329 459 HG1 THR 59 1HG THR 59 -9.052 2.886 4.091 460 1HG2 THR 59 1HG2 THR 59 -7.431 -0.190 4.571 461 2HG2 THR 59 2HG2 THR 59 -8.568 -0.401 3.228 462 3HG2 THR 59 3HG2 THR 59 -6.908 -0.235 2.797 463 H PHE 60 H PHE 60 -5.193 0.780 4.782 464 HA PHE 60 HA PHE 60 -3.003 0.917 2.820 465 1HB PHE 60 1HB PHE 60 -2.631 1.204 5.921 466 2HB PHE 60 2HB PHE 60 -1.358 0.972 4.827 467 HD1 PHE 60 1HD PHE 60 -0.596 2.735 3.366 468 HD2 PHE 60 2HD PHE 60 -3.863 3.455 6.253 469 HE1 PHE 60 1HE PHE 60 -0.402 5.215 3.095 470 HE2 PHE 60 2HE PHE 60 -3.767 5.796 5.654 471 HZ PHE 60 HZ PHE 60 -2.022 6.689 4.222 472 H LEU 61 H LEU 61 -2.241 -1.000 2.468 473 HA LEU 61 HA LEU 61 -2.266 -3.212 4.406 474 1HB LEU 61 1HB LEU 61 -3.579 -4.593 3.063 475 2HB LEU 61 2HB LEU 61 -4.461 -3.173 3.071 476 HG LEU 61 HG LEU 61 -3.244 -2.744 0.643 477 1HD1 LEU 61 1HD1 LEU 61 -3.075 -5.841 0.948 478 2HD1 LEU 61 2HD1 LEU 61 -3.153 -5.086 -0.566 479 3HD1 LEU 61 3HD1 LEU 61 -1.767 -4.707 0.461 480 1HD2 LEU 61 1HD2 LEU 61 -5.661 -3.030 1.087 481 2HD2 LEU 61 2HD2 LEU 61 -5.138 -3.872 -0.455 482 3HD2 LEU 61 3HD2 LEU 61 -5.513 -4.824 1.089 483 H LYS 62 H LYS 62 -1.101 -4.929 3.788 484 HA LYS 62 HA LYS 62 1.490 -4.284 2.384 485 1HB LYS 62 1HB LYS 62 2.845 -5.188 4.266 486 2HB LYS 62 2HB LYS 62 2.246 -3.682 4.417 487 1HG LYS 62 1HG LYS 62 0.477 -4.406 6.040 488 2HG LYS 62 2HG LYS 62 1.065 -6.044 5.892 489 1HD LYS 62 1HD LYS 62 3.323 -5.189 6.517 490 2HD LYS 62 2HD LYS 62 2.710 -3.613 6.857 491 1HE LYS 62 1HE LYS 62 2.312 -6.293 8.348 492 2HE LYS 62 2HE LYS 62 3.182 -4.788 8.853 493 1HZ LYS 62 1HZ LYS 62 0.694 -5.410 9.596 494 2HZ LYS 62 2HZ LYS 62 0.285 -4.791 8.134 495 H VAL 63 H VAL 63 1.661 -5.673 1.091 496 HA VAL 63 HA VAL 63 0.688 -8.541 1.250 497 HB VAL 63 HB VAL 63 1.826 -7.102 -1.245 498 1HG1 VAL 63 1HG1 VAL 63 0.857 -9.879 -0.767 499 2HG1 VAL 63 2HG1 VAL 63 1.055 -9.134 -2.422 500 3HG1 VAL 63 3HG1 VAL 63 2.448 -9.260 -1.289 501 1HG2 VAL 63 1HG2 VAL 63 -1.106 -8.104 -0.661 502 2HG2 VAL 63 2HG2 VAL 63 -0.562 -6.353 -0.499 503 3HG2 VAL 63 3HG2 VAL 63 -0.529 -7.205 -2.082 504 H ASP 64 H ASP 64 2.121 -9.790 1.855 505 HA ASP 64 HA ASP 64 5.114 -9.455 1.981 506 1HB ASP 64 1HB ASP 64 3.976 -10.443 4.016 507 2HB ASP 64 2HB ASP 64 3.192 -11.670 2.947 508 HD2 ASP 64 HD ASP 64 6.385 -13.294 2.657 509 H VAL 65 H VAL 65 6.034 -9.864 0.232 510 HA VAL 65 HA VAL 65 4.799 -10.703 -2.136 511 HB VAL 65 HB VAL 65 6.699 -9.103 -1.838 512 1HG1 VAL 65 1HG1 VAL 65 8.755 -10.165 -1.303 513 2HG1 VAL 65 2HG1 VAL 65 8.571 -11.458 -2.390 514 3HG1 VAL 65 3HG1 VAL 65 9.004 -9.953 -3.094 515 1HG2 VAL 65 1HG2 VAL 65 6.871 -10.927 -4.401 516 2HG2 VAL 65 2HG2 VAL 65 5.555 -9.765 -4.309 517 3HG2 VAL 65 3HG2 VAL 65 7.185 -9.168 -4.319 518 H ASP 66 H ASP 66 6.888 -12.442 -0.041 519 HA ASP 66 HA ASP 66 7.772 -14.614 -1.549 520 1HB ASP 66 1HB ASP 66 6.975 -14.779 1.442 521 2HB ASP 66 2HB ASP 66 7.937 -16.019 0.573 522 HD2 ASP 66 HD ASP 66 9.686 -12.600 1.361 523 H GLU 67 H GLU 67 4.585 -14.689 0.396 524 HA GLU 67 HA GLU 67 3.517 -16.999 -1.109 525 1HB GLU 67 1HB GLU 67 2.236 -14.843 0.798 526 2HB GLU 67 2HB GLU 67 1.442 -16.148 -0.084 527 1HG GLU 67 1HG GLU 67 2.753 -17.909 1.088 528 2HG GLU 67 2HG GLU 67 3.719 -16.615 1.733 529 HE2 GLU 67 HE GLU 67 0.419 -17.708 3.564 530 H LEU 68 H LEU 68 3.818 -13.784 -2.331 531 HA LEU 68 HA LEU 68 1.764 -14.256 -4.524 532 1HB LEU 68 1HB LEU 68 1.579 -11.996 -2.395 533 2HB LEU 68 2HB LEU 68 0.586 -11.852 -3.853 534 HG LEU 68 HG LEU 68 0.263 -13.875 -1.531 535 1HD1 LEU 68 1HD1 LEU 68 -1.723 -12.476 -1.006 536 2HD1 LEU 68 2HD1 LEU 68 -0.564 -11.299 -1.531 537 3HD1 LEU 68 3HD1 LEU 68 -1.756 -11.850 -2.704 538 1HD2 LEU 68 1HD2 LEU 68 -1.313 -13.808 -4.150 539 2HD2 LEU 68 2HD2 LEU 68 -0.472 -15.153 -3.561 540 3HD2 LEU 68 3HD2 LEU 68 -1.859 -14.742 -2.680 541 H LYS 69 H LYS 69 4.056 -14.195 -4.856 542 HA LYS 69 HA LYS 69 5.349 -11.691 -6.025 543 1HB LYS 69 1HB LYS 69 7.036 -13.040 -7.333 544 2HB LYS 69 2HB LYS 69 6.903 -13.179 -5.545 545 1HG LYS 69 1HG LYS 69 6.682 -15.420 -5.590 546 2HG LYS 69 2HG LYS 69 5.489 -15.298 -6.994 547 1HD LYS 69 1HD LYS 69 7.360 -16.494 -7.649 548 2HD LYS 69 2HD LYS 69 7.564 -14.878 -8.329 549 1HE LYS 69 1HE LYS 69 9.208 -14.470 -6.135 550 2HE LYS 69 2HE LYS 69 8.957 -16.160 -5.792 551 1HZ LYS 69 1HZ LYS 69 9.991 -16.485 -8.033 552 2HZ LYS 69 2HZ LYS 69 9.884 -14.960 -8.308 553 H ALA 70 H ALA 70 3.559 -14.120 -7.588 554 HA ALA 70 HA ALA 70 3.897 -13.371 -10.358 555 1HB ALA 70 1HB ALA 70 2.451 -15.194 -10.819 556 2HB ALA 70 2HB ALA 70 3.505 -15.619 -9.627 557 3HB ALA 70 3HB ALA 70 1.911 -15.236 -9.138 558 H VAL 71 H VAL 71 0.912 -13.014 -8.348 559 HA VAL 71 HA VAL 71 -0.195 -10.731 -9.699 560 HB VAL 71 HB VAL 71 -1.329 -11.976 -8.021 561 1HG1 VAL 71 1HG1 VAL 71 -1.186 -11.462 -5.758 562 2HG1 VAL 71 2HG1 VAL 71 0.360 -11.862 -6.268 563 3HG1 VAL 71 3HG1 VAL 71 -0.069 -10.037 -5.844 564 1HG2 VAL 71 1HG2 VAL 71 -2.723 -10.045 -7.324 565 2HG2 VAL 71 2HG2 VAL 71 -1.254 -8.884 -7.510 566 3HG2 VAL 71 3HG2 VAL 71 -2.221 -9.611 -8.948 567 H ALA 72 H ALA 72 1.950 -10.389 -6.949 568 HA ALA 72 HA ALA 72 2.170 -7.550 -6.952 569 1HB ALA 72 1HB ALA 72 4.499 -9.060 -6.290 570 2HB ALA 72 2HB ALA 72 4.361 -7.342 -6.102 571 3HB ALA 72 3HB ALA 72 3.420 -8.463 -5.021 572 H GLU 73 H GLU 73 3.983 -9.345 -9.016 573 HA GLU 73 HA GLU 73 5.615 -7.438 -10.346 574 1HB GLU 73 1HB GLU 73 4.934 -10.378 -10.758 575 2HB GLU 73 2HB GLU 73 5.397 -9.520 -12.075 576 1HG GLU 73 1HG GLU 73 7.573 -9.213 -10.829 577 2HG GLU 73 2HG GLU 73 6.856 -9.739 -9.289 578 HE2 GLU 73 HE GLU 73 6.786 -11.807 -8.919 579 H GLU 74 H GLU 74 2.493 -9.222 -11.004 580 HA GLU 74 HA GLU 74 1.953 -7.775 -13.327 581 1HB GLU 74 1HB GLU 74 0.303 -9.359 -13.669 582 2HB GLU 74 2HB GLU 74 0.905 -10.124 -12.386 583 1HG GLU 74 1HG GLU 74 -1.009 -9.992 -11.385 584 2HG GLU 74 2HG GLU 74 -1.006 -8.403 -10.962 585 HE2 GLU 74 HE GLU 74 -2.340 -7.074 -11.654 586 H TRP 75 H TRP 75 1.263 -6.860 -10.186 587 HA TRP 75 HA TRP 75 -0.484 -4.550 -10.796 588 1HB TRP 75 1HB TRP 75 1.240 -4.660 -8.222 589 2HB TRP 75 2HB TRP 75 0.018 -3.382 -8.728 590 HD1 TRP 75 HD TRP 75 0.216 -6.707 -6.716 591 HE1 TRP 75 1HE TRP 75 -2.092 -7.785 -6.169 592 HE3 TRP 75 3HE TRP 75 -2.613 -3.587 -9.731 593 HZ2 TRP 75 2HZ TRP 75 -4.204 -7.671 -7.539 594 HZ3 TRP 75 3HZ TRP 75 -4.748 -4.549 -10.283 595 HH2 TRP 75 HH TRP 75 -5.535 -6.720 -9.463 596 H ASN 76 H ASN 76 3.051 -4.790 -10.059 597 HA ASN 76 HA ASN 76 3.983 -4.286 -12.468 598 1HB ASN 76 1HB ASN 76 2.590 -2.407 -13.159 599 2HB ASN 76 2HB ASN 76 3.416 -1.439 -11.835 600 1HD2 ASN 76 1HD2 ASN 76 4.065 -3.511 -14.421 601 2HD2 ASN 76 2HD2 ASN 76 5.139 -2.589 -15.492 602 H VAL 77 H VAL 77 4.885 -5.189 -10.346 603 HA VAL 77 HA VAL 77 7.048 -3.599 -8.857 604 HB VAL 77 HB VAL 77 5.784 -6.226 -7.932 605 1HG1 VAL 77 1HG1 VAL 77 7.529 -4.507 -6.258 606 2HG1 VAL 77 2HG1 VAL 77 6.476 -5.890 -5.781 607 3HG1 VAL 77 3HG1 VAL 77 7.837 -6.196 -6.821 608 1HG2 VAL 77 1HG2 VAL 77 4.217 -4.198 -8.121 609 2HG2 VAL 77 2HG2 VAL 77 4.346 -4.642 -6.561 610 3HG2 VAL 77 3HG2 VAL 77 5.248 -3.187 -7.138 611 H GLU 78 H GLU 78 8.363 -4.008 -10.605 612 HA GLU 78 HA GLU 78 10.094 -6.558 -10.625 613 1HB GLU 78 1HB GLU 78 11.959 -5.189 -11.549 614 2HB GLU 78 2HB GLU 78 10.459 -5.540 -12.497 615 1HG GLU 78 1HG GLU 78 10.856 -3.116 -12.927 616 2HG GLU 78 2HG GLU 78 9.448 -3.126 -12.207 617 HE2 GLU 78 HE GLU 78 12.985 -2.953 -11.228 618 H ALA 79 H ALA 79 9.818 -4.577 -8.166 619 HA ALA 79 HA ALA 79 12.333 -5.059 -6.891 620 1HB ALA 79 1HB ALA 79 13.319 -2.702 -6.915 621 2HB ALA 79 2HB ALA 79 13.209 -3.449 -8.393 622 3HB ALA 79 3HB ALA 79 11.886 -2.152 -7.887 623 H MET 80 H MET 80 12.810 -4.471 -4.790 624 HA MET 80 HA MET 80 10.476 -4.369 -3.120 625 1HB MET 80 1HB MET 80 13.083 -5.714 -2.298 626 2HB MET 80 2HB MET 80 11.587 -5.337 -1.393 627 1HG MET 80 1HG MET 80 11.343 -6.816 -4.219 628 2HG MET 80 2HG MET 80 11.984 -7.785 -2.800 629 1HE MET 80 1HE MET 80 7.517 -7.027 -3.626 630 2HE MET 80 2HE MET 80 8.369 -5.572 -3.906 631 3HE MET 80 3HE MET 80 8.736 -7.274 -4.781 632 HA PRO 81 HA PRO 81 9.466 -2.926 -2.879 633 1HB PRO 81 1HB PRO 81 8.639 -2.643 -0.189 634 2HB PRO 81 2HB PRO 81 10.159 -3.522 -0.522 635 1HG PRO 81 1HG PRO 81 10.241 -0.535 0.157 636 2HG PRO 81 2HG PRO 81 11.302 -1.872 0.552 637 1HD PRO 81 1HD PRO 81 11.677 -0.227 -1.781 638 2HD PRO 81 2HD PRO 81 12.874 -1.233 -0.840 639 H THR 82 H THR 82 7.708 -2.298 -2.890 640 HA THR 82 HA THR 82 7.341 0.278 -4.370 641 HB THR 82 HB THR 82 5.989 -2.107 -5.376 642 HG1 THR 82 1HG THR 82 7.807 -2.857 -6.237 643 1HG2 THR 82 1HG2 THR 82 6.902 0.247 -7.259 644 2HG2 THR 82 2HG2 THR 82 5.866 -1.163 -7.385 645 3HG2 THR 82 3HG2 THR 82 5.416 0.105 -6.371 646 H PHE 83 H PHE 83 5.502 1.106 -4.555 647 HA PHE 83 HA PHE 83 3.351 0.822 -2.546 648 1HB PHE 83 1HB PHE 83 4.340 3.515 -2.664 649 2HB PHE 83 2HB PHE 83 3.243 2.943 -1.582 650 HD1 PHE 83 1HD PHE 83 6.746 3.206 -1.715 651 HD2 PHE 83 2HD PHE 83 3.591 1.202 0.233 652 HE1 PHE 83 1HE PHE 83 8.052 2.916 0.456 653 HE2 PHE 83 2HE PHE 83 4.856 0.802 2.210 654 HZ PHE 83 HZ PHE 83 7.128 1.392 2.275 655 H ILE 84 H ILE 84 1.910 0.660 -3.963 656 HA ILE 84 HA ILE 84 1.260 2.406 -6.370 657 HB ILE 84 HB ILE 84 0.322 -0.480 -6.131 658 1HG1 ILE 84 1HG1 ILE 84 2.994 0.605 -6.824 659 2HG1 ILE 84 2HG1 ILE 84 2.811 -0.545 -5.731 660 1HG2 ILE 84 1HG2 ILE 84 0.895 1.247 -8.636 661 2HG2 ILE 84 2HG2 ILE 84 0.072 -0.402 -8.617 662 3HG2 ILE 84 3HG2 ILE 84 -0.641 0.923 -8.004 663 1HD1 ILE 84 1HD1 ILE 84 2.090 -2.124 -7.837 664 2HD1 ILE 84 2HD1 ILE 84 2.993 -0.946 -8.849 665 3HD1 ILE 84 3HD1 ILE 84 3.746 -1.885 -7.524 666 H PHE 85 H PHE 85 -0.665 2.669 -6.678 667 HA PHE 85 HA PHE 85 -2.313 3.446 -4.233 668 1HB PHE 85 1HB PHE 85 -1.300 5.371 -6.408 669 2HB PHE 85 2HB PHE 85 -2.567 5.790 -5.329 670 HD1 PHE 85 1HD PHE 85 1.075 4.788 -5.178 671 HD2 PHE 85 2HD PHE 85 -2.230 6.730 -3.196 672 HE1 PHE 85 1HE PHE 85 2.547 5.600 -3.302 673 HE2 PHE 85 2HE PHE 85 -0.702 7.328 -1.370 674 HZ PHE 85 HZ PHE 85 1.771 7.259 -1.826 675 H LEU 86 H LEU 86 -4.319 2.746 -4.659 676 HA LEU 86 HA LEU 86 -5.677 2.410 -7.484 677 1HB LEU 86 1HB LEU 86 -4.339 0.462 -6.103 678 2HB LEU 86 2HB LEU 86 -5.702 0.313 -5.131 679 HG LEU 86 HG LEU 86 -6.135 -1.342 -6.806 680 1HD1 LEU 86 1HD1 LEU 86 -8.063 -0.993 -7.905 681 2HD1 LEU 86 2HD1 LEU 86 -8.282 0.359 -6.660 682 3HD1 LEU 86 3HD1 LEU 86 -7.862 0.643 -8.283 683 1HD2 LEU 86 1HD2 LEU 86 -4.251 -0.411 -8.257 684 2HD2 LEU 86 2HD2 LEU 86 -5.590 -1.266 -9.097 685 3HD2 LEU 86 3HD2 LEU 86 -5.517 0.466 -9.054 686 H LYS 87 H LYS 87 -7.237 3.596 -7.276 687 HA LYS 87 HA LYS 87 -8.862 4.277 -4.850 688 1HB LYS 87 1HB LYS 87 -7.125 6.054 -5.959 689 2HB LYS 87 2HB LYS 87 -8.192 6.050 -7.276 690 1HG LYS 87 1HG LYS 87 -9.990 6.946 -5.768 691 2HG LYS 87 2HG LYS 87 -8.882 6.742 -4.391 692 1HD LYS 87 1HD LYS 87 -7.432 8.519 -5.896 693 2HD LYS 87 2HD LYS 87 -8.798 8.679 -7.065 694 1HE LYS 87 1HE LYS 87 -10.245 9.413 -5.000 695 2HE LYS 87 2HE LYS 87 -8.817 9.280 -3.972 696 1HZ LYS 87 1HZ LYS 87 -7.731 10.810 -5.588 697 2HZ LYS 87 2HZ LYS 87 -9.155 10.993 -6.407 698 H ASP 88 H ASP 88 -11.156 4.528 -5.376 699 HA ASP 88 HA ASP 88 -12.599 3.423 -7.353 700 1HB ASP 88 1HB ASP 88 -14.434 4.899 -7.021 701 2HB ASP 88 2HB ASP 88 -13.673 4.656 -5.585 702 HD2 ASP 88 HD ASP 88 -12.728 8.137 -5.336 703 H GLY 89 H GLY 89 -10.535 4.034 -8.980 704 1HA GLY 89 1HA GLY 89 -11.880 4.487 -11.499 705 2HA GLY 89 2HA GLY 89 -10.976 5.861 -11.100 706 H LYS 90 H LYS 90 -10.250 2.636 -10.392 707 HA LYS 90 HA LYS 90 -8.707 1.051 -11.026 708 1HB LYS 90 1HB LYS 90 -9.353 1.755 -13.683 709 2HB LYS 90 2HB LYS 90 -7.719 2.106 -13.635 710 1HG LYS 90 1HG LYS 90 -6.899 0.114 -13.142 711 2HG LYS 90 2HG LYS 90 -8.496 -0.560 -12.599 712 1HD LYS 90 1HD LYS 90 -7.766 -0.011 -15.553 713 2HD LYS 90 2HD LYS 90 -7.685 -1.480 -14.586 714 1HE LYS 90 1HE LYS 90 -10.028 -1.536 -14.127 715 2HE LYS 90 2HE LYS 90 -10.311 -0.082 -15.144 716 1HZ LYS 90 1HZ LYS 90 -10.769 -1.631 -16.639 717 2HZ LYS 90 2HZ LYS 90 -9.997 -2.763 -15.828 718 H LEU 91 H LEU 91 -6.134 1.023 -11.756 719 HA LEU 91 HA LEU 91 -4.429 2.144 -10.003 720 1HB LEU 91 1HB LEU 91 -3.810 0.507 -11.491 721 2HB LEU 91 2HB LEU 91 -3.838 1.561 -12.899 722 HG LEU 91 HG LEU 91 -1.966 2.800 -12.256 723 1HD1 LEU 91 1HD1 LEU 91 -0.696 2.272 -10.246 724 2HD1 LEU 91 2HD1 LEU 91 -2.247 2.627 -9.633 725 3HD1 LEU 91 3HD1 LEU 91 -1.740 0.857 -9.692 726 1HD2 LEU 91 1HD2 LEU 91 -0.181 0.977 -12.469 727 2HD2 LEU 91 2HD2 LEU 91 -1.230 -0.402 -12.030 728 3HD2 LEU 91 3HD2 LEU 91 -1.546 0.561 -13.440 729 H VAL 92 H VAL 92 -4.281 4.184 -9.318 730 HA VAL 92 HA VAL 92 -4.283 6.543 -11.038 731 HB VAL 92 HB VAL 92 -4.496 7.885 -9.021 732 1HG1 VAL 92 1HG1 VAL 92 -7.009 7.604 -8.694 733 2HG1 VAL 92 2HG1 VAL 92 -6.655 6.883 -10.268 734 3HG1 VAL 92 3HG1 VAL 92 -6.834 5.871 -8.787 735 1HG2 VAL 92 1HG2 VAL 92 -5.191 5.255 -7.446 736 2HG2 VAL 92 2HG2 VAL 92 -3.646 6.142 -7.124 737 3HG2 VAL 92 3HG2 VAL 92 -5.168 6.915 -6.836 738 H ASP 93 H ASP 93 -1.872 5.068 -8.649 739 HA ASP 93 HA ASP 93 0.211 6.389 -10.143 740 1HB ASP 93 1HB ASP 93 -0.992 8.278 -8.645 741 2HB ASP 93 2HB ASP 93 -0.499 7.464 -7.334 742 HD2 ASP 93 HD ASP 93 1.571 8.315 -6.765 743 H LYS 94 H LYS 94 2.451 6.309 -9.114 744 HA LYS 94 HA LYS 94 2.713 3.859 -7.438 745 1HB LYS 94 1HB LYS 94 3.848 2.537 -9.033 746 2HB LYS 94 2HB LYS 94 2.190 2.789 -9.302 747 1HG LYS 94 1HG LYS 94 4.627 3.952 -10.658 748 2HG LYS 94 2HG LYS 94 3.850 2.710 -11.486 749 1HD LYS 94 1HD LYS 94 2.876 5.492 -11.280 750 2HD LYS 94 2HD LYS 94 3.464 4.628 -12.715 751 1HE LYS 94 1HE LYS 94 1.321 3.046 -12.339 752 2HE LYS 94 2HE LYS 94 0.851 4.272 -11.174 753 1HZ LYS 94 1HZ LYS 94 0.824 5.889 -12.919 754 2HZ LYS 94 2HZ LYS 94 -0.098 4.638 -13.505 755 H THR 95 H THR 95 4.807 3.725 -6.631 756 HA THR 95 HA THR 95 7.199 5.086 -7.653 757 HB THR 95 HB THR 95 5.884 6.160 -5.152 758 HG1 THR 95 1HG THR 95 6.408 7.550 -7.580 759 1HG2 THR 95 1HG2 THR 95 7.880 8.013 -5.374 760 2HG2 THR 95 2HG2 THR 95 8.537 6.320 -5.103 761 3HG2 THR 95 3HG2 THR 95 8.472 6.989 -6.672 762 H VAL 96 H VAL 96 8.704 3.784 -6.738 763 HA VAL 96 HA VAL 96 8.686 1.842 -4.547 764 HB VAL 96 HB VAL 96 8.632 0.942 -6.645 765 1HG1 VAL 96 1HG1 VAL 96 10.765 2.302 -7.978 766 2HG1 VAL 96 2HG1 VAL 96 9.596 1.119 -8.702 767 3HG1 VAL 96 3HG1 VAL 96 9.000 2.693 -8.252 768 1HG2 VAL 96 1HG2 VAL 96 11.808 0.820 -6.279 769 2HG2 VAL 96 2HG2 VAL 96 10.780 0.306 -4.915 770 3HG2 VAL 96 3HG2 VAL 96 10.829 -0.590 -6.515 771 H GLY 97 H GLY 97 9.460 2.685 -2.993 772 1HA GLY 97 1HA GLY 97 12.132 3.350 -2.358 773 2HA GLY 97 2HA GLY 97 11.255 4.962 -2.694 774 H ALA 98 H ALA 98 12.360 2.763 -0.439 775 HA ALA 98 HA ALA 98 10.506 3.111 1.797 776 1HB ALA 98 1HB ALA 98 11.664 0.973 1.499 777 2HB ALA 98 2HB ALA 98 13.154 1.831 1.926 778 3HB ALA 98 3HB ALA 98 11.779 1.943 3.099 779 H ASP 99 H ASP 99 10.491 5.204 2.852 780 HA ASP 99 HA ASP 99 13.047 6.510 3.391 781 1HB ASP 99 1HB ASP 99 12.420 7.056 0.891 782 2HB ASP 99 2HB ASP 99 11.255 8.209 1.443 783 HD2 ASP 99 HD ASP 99 13.452 10.486 2.646 784 H LYS 100 H LYS 100 12.238 7.247 5.467 785 HA LYS 100 HA LYS 100 9.789 7.218 6.527 786 1HB LYS 100 1HB LYS 100 10.526 8.389 8.397 787 2HB LYS 100 2HB LYS 100 11.806 7.156 7.733 788 1HG LYS 100 1HG LYS 100 13.085 8.815 6.776 789 2HG LYS 100 2HG LYS 100 12.162 10.075 7.669 790 1HD LYS 100 1HD LYS 100 12.894 8.921 9.855 791 2HD LYS 100 2HD LYS 100 13.874 7.657 8.845 792 1HE LYS 100 1HE LYS 100 15.040 9.966 7.898 793 2HE LYS 100 2HE LYS 100 14.370 10.777 9.177 794 1HZ LYS 100 1HZ LYS 100 15.685 9.400 10.691 795 2HZ LYS 100 2HZ LYS 100 15.977 8.241 9.572 796 H ASP 101 H ASP 101 11.342 10.155 5.718 797 HA ASP 101 HA ASP 101 9.003 11.991 5.920 798 1HB ASP 101 1HB ASP 101 10.358 13.698 5.312 799 2HB ASP 101 2HB ASP 101 11.369 12.690 6.323 800 HD2 ASP 101 HD ASP 101 12.127 13.782 2.493 801 H GLY 102 H GLY 102 10.454 10.420 3.111 802 1HA GLY 102 1HA GLY 102 9.310 11.498 0.837 803 2HA GLY 102 2HA GLY 102 9.711 9.905 0.904 804 H LEU 103 H LEU 103 8.220 8.528 2.078 805 HA LEU 103 HA LEU 103 5.737 8.060 0.783 806 1HB LEU 103 1HB LEU 103 7.134 6.417 2.063 807 2HB LEU 103 2HB LEU 103 6.701 7.237 3.489 808 HG LEU 103 HG LEU 103 4.263 6.658 2.948 809 1HD1 LEU 103 1HD1 LEU 103 3.769 4.682 1.850 810 2HD1 LEU 103 2HD1 LEU 103 4.563 5.865 0.725 811 3HD1 LEU 103 3HD1 LEU 103 5.536 4.476 1.305 812 1HD2 LEU 103 1HD2 LEU 103 4.428 4.729 4.416 813 2HD2 LEU 103 2HD2 LEU 103 6.105 4.394 3.837 814 3HD2 LEU 103 3HD2 LEU 103 5.724 5.576 4.903 815 HA PRO 104 HA PRO 104 3.041 10.688 4.266 816 1HB PRO 104 1HB PRO 104 5.529 12.268 5.168 817 2HB PRO 104 2HB PRO 104 4.107 11.926 6.166 818 1HG PRO 104 1HG PRO 104 6.186 10.440 6.684 819 2HG PRO 104 2HG PRO 104 4.586 9.619 6.558 820 1HD PRO 104 1HD PRO 104 6.933 9.546 4.558 821 2HD PRO 104 2HD PRO 104 5.744 8.281 4.916 822 H THR 105 H THR 105 5.798 12.265 2.616 823 HA THR 105 HA THR 105 4.234 14.648 1.838 824 HB THR 105 HB THR 105 6.912 13.349 0.776 825 HG1 THR 105 1HG THR 105 6.697 14.036 2.967 826 1HG2 THR 105 1HG2 THR 105 7.402 15.599 -0.178 827 2HG2 THR 105 2HG2 THR 105 5.934 14.926 -0.927 828 3HG2 THR 105 3HG2 THR 105 5.781 16.090 0.415 829 H LEU 106 H LEU 106 5.146 11.722 -0.174 830 HA LEU 106 HA LEU 106 3.504 12.197 -2.471 831 1HB LEU 106 1HB LEU 106 5.344 10.831 -2.437 832 2HB LEU 106 2HB LEU 106 4.642 9.697 -1.179 833 HG LEU 106 HG LEU 106 3.063 8.841 -2.677 834 1HD1 LEU 106 1HD1 LEU 106 3.033 9.292 -5.171 835 2HD1 LEU 106 2HD1 LEU 106 2.729 10.870 -4.383 836 3HD1 LEU 106 3HD1 LEU 106 4.367 10.478 -5.126 837 1HD2 LEU 106 1HD2 LEU 106 4.496 7.451 -3.865 838 2HD2 LEU 106 2HD2 LEU 106 5.890 8.632 -3.912 839 3HD2 LEU 106 3HD2 LEU 106 5.310 7.975 -2.507 840 H VAL 107 H VAL 107 2.571 10.608 0.513 841 HA VAL 107 HA VAL 107 -0.197 9.930 -0.176 842 HB VAL 107 HB VAL 107 1.143 9.834 2.365 843 1HG1 VAL 107 1HG1 VAL 107 -1.203 10.482 2.997 844 2HG1 VAL 107 2HG1 VAL 107 -1.858 9.061 2.155 845 3HG1 VAL 107 3HG1 VAL 107 -0.798 9.001 3.625 846 1HG2 VAL 107 1HG2 VAL 107 0.858 7.278 2.063 847 2HG2 VAL 107 2HG2 VAL 107 -0.257 7.646 0.703 848 3HG2 VAL 107 3HG2 VAL 107 1.510 7.999 0.592 849 H ALA 108 H ALA 108 0.976 12.533 1.860 850 HA ALA 108 HA ALA 108 -1.426 14.057 2.009 851 1HB ALA 108 1HB ALA 108 0.109 15.918 2.488 852 2HB ALA 108 2HB ALA 108 0.641 14.421 3.148 853 3HB ALA 108 3HB ALA 108 1.528 15.066 1.793 854 H LYS 109 H LYS 109 0.834 14.313 -0.661 855 HA LYS 109 HA LYS 109 -0.819 16.165 -2.334 856 1HB LYS 109 1HB LYS 109 1.337 13.928 -3.198 857 2HB LYS 109 2HB LYS 109 0.542 15.082 -4.250 858 1HG LYS 109 1HG LYS 109 1.543 16.954 -3.204 859 2HG LYS 109 2HG LYS 109 2.226 15.986 -1.990 860 1HD LYS 109 1HD LYS 109 3.558 14.675 -3.822 861 2HD LYS 109 2HD LYS 109 3.020 16.006 -4.926 862 1HE LYS 109 1HE LYS 109 4.250 17.721 -3.624 863 2HE LYS 109 2HE LYS 109 4.604 16.526 -2.320 864 1HZ LYS 109 1HZ LYS 109 5.665 16.147 -5.144 865 2HZ LYS 109 2HZ LYS 109 6.459 16.968 -3.916 866 H HIS 110 H HIS 110 -0.772 12.491 -2.054 867 HA HIS 110 HA HIS 110 -2.844 12.086 -4.020 868 1HB HIS 110 1HB HIS 110 -1.407 10.314 -2.199 869 2HB HIS 110 2HB HIS 110 -2.957 9.770 -2.591 870 HD1 HIS 110 1HD HIS 110 -3.424 9.584 -5.288 871 HD2 HIS 110 2HD HIS 110 0.427 10.876 -4.209 872 HE1 HIS 110 1HE HIS 110 -2.251 10.005 -7.388 873 H ALA 111 H ALA 111 -3.083 12.388 -0.644 874 HA ALA 111 HA ALA 111 -6.001 12.038 -0.319 875 1HB ALA 111 1HB ALA 111 -5.447 13.209 1.852 876 2HB ALA 111 2HB ALA 111 -4.505 11.854 1.657 877 3HB ALA 111 3HB ALA 111 -3.732 13.406 1.340 878 H THR 112 H THR 112 -3.951 14.774 -0.911 879 HA THR 112 HA THR 112 -5.998 16.964 -0.840 880 HB THR 112 HB THR 112 -3.334 16.904 -2.197 881 HG1 THR 112 1HG THR 112 -2.825 16.986 -0.130 882 1HG2 THR 112 1HG2 THR 112 -4.722 18.650 -3.331 883 2HG2 THR 112 2HG2 THR 112 -4.786 19.535 -1.837 884 3HG2 THR 112 3HG2 THR 112 -3.257 19.224 -2.592 885 H ALA 113 H ALA 113 -4.273 15.592 -3.681 886 HA ALA 113 HA ALA 113 -6.313 16.358 -5.649 887 1HB ALA 113 1HB ALA 113 -3.786 14.525 -5.998 888 2HB ALA 113 2HB ALA 113 -4.845 15.044 -7.344 889 3HB ALA 113 3HB ALA 113 -3.980 16.292 -6.379 890 HXT ALA 113 HO ALA 113 -8.437 13.801 -5.820 Start of MODEL 12 1 1H ALA 1 1H ALA 1 -13.751 8.602 16.764 2 2H ALA 1 2H ALA 1 -13.225 7.241 17.572 3 HA ALA 1 HA ALA 1 -11.529 9.338 16.420 4 1HB ALA 1 1HB ALA 1 -9.655 7.528 16.860 5 2HB ALA 1 2HB ALA 1 -10.509 8.128 18.295 6 3HB ALA 1 3HB ALA 1 -10.897 6.471 17.667 7 H GLU 2 H GLU 2 -11.102 9.051 14.435 8 HA GLU 2 HA GLU 2 -12.049 6.731 12.679 9 1HB GLU 2 1HB GLU 2 -13.903 8.400 12.680 10 2HB GLU 2 2HB GLU 2 -12.839 9.646 12.223 11 1HG GLU 2 1HG GLU 2 -12.492 8.368 9.963 12 2HG GLU 2 2HG GLU 2 -13.689 7.176 10.640 13 HE2 GLU 2 HE GLU 2 -16.390 9.141 9.733 14 H GLU 3 H GLU 3 -10.315 6.128 11.584 15 HA GLU 3 HA GLU 3 -8.275 7.997 10.452 16 1HB GLU 3 1HB GLU 3 -6.334 7.368 11.791 17 2HB GLU 3 2HB GLU 3 -7.502 8.408 12.681 18 1HG GLU 3 1HG GLU 3 -8.426 6.393 13.853 19 2HG GLU 3 2HG GLU 3 -7.404 5.316 12.938 20 HE2 GLU 3 HE GLU 3 -4.938 5.474 15.277 21 H GLY 4 H GLY 4 -6.261 6.650 9.897 22 1HA GLY 4 1HA GLY 4 -7.029 4.476 7.917 23 2HA GLY 4 2HA GLY 4 -5.458 5.139 8.139 24 H GLN 5 H GLN 5 -5.888 2.549 7.841 25 HA GLN 5 HA GLN 5 -5.155 1.335 10.472 26 1HB GLN 5 1HB GLN 5 -7.019 -0.290 10.142 27 2HB GLN 5 2HB GLN 5 -7.642 1.371 10.120 28 1HG GLN 5 1HG GLN 5 -7.287 0.905 7.411 29 2HG GLN 5 2HG GLN 5 -7.533 -0.762 7.796 30 1HE2 GLN 5 1HE2 GLN 5 -9.208 1.857 7.003 31 2HE2 GLN 5 2HE2 GLN 5 -10.836 1.379 7.761 32 H VAL 6 H VAL 6 -3.336 0.305 10.115 33 HA VAL 6 HA VAL 6 -2.332 -1.043 7.729 34 HB VAL 6 HB VAL 6 -0.927 -0.504 10.358 35 1HG1 VAL 6 1HG1 VAL 6 1.179 -0.839 8.717 36 2HG1 VAL 6 2HG1 VAL 6 0.290 -2.354 9.045 37 3HG1 VAL 6 3HG1 VAL 6 0.051 -1.485 7.487 38 1HG2 VAL 6 1HG2 VAL 6 -0.460 0.937 7.726 39 2HG2 VAL 6 2HG2 VAL 6 -1.813 1.354 8.804 40 3HG2 VAL 6 3HG2 VAL 6 -0.122 1.412 9.433 41 H ILE 7 H ILE 7 -2.627 -2.951 7.302 42 HA ILE 7 HA ILE 7 -3.028 -5.277 9.149 43 HB ILE 7 HB ILE 7 -5.236 -4.202 8.100 44 1HG1 ILE 7 1HG1 ILE 7 -5.464 -5.853 9.530 45 2HG1 ILE 7 2HG1 ILE 7 -6.475 -6.341 8.169 46 1HG2 ILE 7 1HG2 ILE 7 -6.217 -5.057 6.036 47 2HG2 ILE 7 2HG2 ILE 7 -4.801 -4.166 5.755 48 3HG2 ILE 7 3HG2 ILE 7 -4.770 -5.969 5.614 49 1HD1 ILE 7 1HD1 ILE 7 -4.990 -8.206 7.747 50 2HD1 ILE 7 2HD1 ILE 7 -3.717 -7.617 8.849 51 3HD1 ILE 7 3HD1 ILE 7 -5.282 -8.062 9.531 52 H ALA 8 H ALA 8 -1.500 -6.713 8.647 53 HA ALA 8 HA ALA 8 -0.232 -7.424 6.120 54 1HB ALA 8 1HB ALA 8 -0.066 -9.675 7.106 55 2HB ALA 8 2HB ALA 8 0.369 -8.557 8.343 56 3HB ALA 8 3HB ALA 8 -1.219 -9.379 8.331 57 H CYS 9 H CYS 9 -0.402 -9.083 4.739 58 HA CYS 9 HA CYS 9 -3.074 -10.033 3.719 59 1HB CYS 9 1HB CYS 9 -1.289 -8.184 1.961 60 2HB CYS 9 2HB CYS 9 -2.704 -9.001 1.427 61 HG CYS 9 HG CYS 9 -4.218 -7.907 3.199 62 H HIS 10 H HIS 10 -2.796 -11.690 2.507 63 HA HIS 10 HA HIS 10 -0.222 -13.224 2.444 64 1HB HIS 10 1HB HIS 10 -2.965 -14.166 3.518 65 2HB HIS 10 2HB HIS 10 -1.376 -14.997 3.633 66 HD1 HIS 10 1HD HIS 10 -3.447 -12.557 5.692 67 HD2 HIS 10 2HD HIS 10 0.699 -13.088 4.904 68 HE1 HIS 10 1HE HIS 10 -2.177 -11.548 7.486 69 H THR 11 H THR 11 -3.369 -13.231 0.798 70 HA THR 11 HA THR 11 -2.585 -15.357 -1.167 71 HB THR 11 HB THR 11 -4.507 -16.811 -0.657 72 HG1 THR 11 1HG THR 11 -5.307 -15.905 1.647 73 1HG2 THR 11 1HG2 THR 11 -3.809 -17.902 1.244 74 2HG2 THR 11 2HG2 THR 11 -2.413 -17.204 0.661 75 3HG2 THR 11 3HG2 THR 11 -3.198 -16.463 1.994 76 H VAL 12 H VAL 12 -4.944 -15.995 -2.362 77 HA VAL 12 HA VAL 12 -5.995 -13.600 -3.685 78 HB VAL 12 HB VAL 12 -6.269 -15.976 -4.590 79 1HG1 VAL 12 1HG1 VAL 12 -8.212 -16.495 -2.317 80 2HG1 VAL 12 2HG1 VAL 12 -8.113 -17.500 -3.782 81 3HG1 VAL 12 3HG1 VAL 12 -6.695 -17.318 -2.759 82 1HG2 VAL 12 1HG2 VAL 12 -8.995 -14.583 -4.414 83 2HG2 VAL 12 2HG2 VAL 12 -7.832 -14.193 -5.536 84 3HG2 VAL 12 3HG2 VAL 12 -8.503 -15.895 -5.552 85 H ASP 13 H ASP 13 -6.576 -14.455 -0.651 86 HA ASP 13 HA ASP 13 -9.195 -13.218 0.068 87 1HB ASP 13 1HB ASP 13 -6.550 -13.580 1.689 88 2HB ASP 13 2HB ASP 13 -7.940 -12.711 2.281 89 HD2 ASP 13 HD ASP 13 -9.936 -13.824 2.443 90 H THR 14 H THR 14 -5.894 -11.898 -0.051 91 HA THR 14 HA THR 14 -6.902 -9.188 0.443 92 HB THR 14 HB THR 14 -4.460 -9.670 0.856 93 HG1 THR 14 1HG THR 14 -5.594 -7.404 -0.026 94 1HG2 THR 14 1HG2 THR 14 -4.153 -8.894 -2.149 95 2HG2 THR 14 2HG2 THR 14 -2.751 -9.408 -1.087 96 3HG2 THR 14 3HG2 THR 14 -3.981 -10.669 -1.554 97 H TRP 15 H TRP 15 -6.700 -10.946 -2.690 98 HA TRP 15 HA TRP 15 -7.583 -8.767 -4.341 99 1HB TRP 15 1HB TRP 15 -7.928 -11.743 -4.460 100 2HB TRP 15 2HB TRP 15 -8.940 -10.977 -5.509 101 HD1 TRP 15 HD TRP 15 -5.182 -11.656 -5.086 102 HE1 TRP 15 1HE TRP 15 -3.861 -10.921 -7.317 103 HE3 TRP 15 3HE TRP 15 -9.117 -9.412 -7.499 104 HZ2 TRP 15 2HZ TRP 15 -4.528 -9.256 -9.592 105 HZ3 TRP 15 3HZ TRP 15 -8.667 -8.242 -9.778 106 HH2 TRP 15 HH TRP 15 -6.429 -8.011 -10.583 107 H LYS 16 H LYS 16 -9.348 -10.741 -2.144 108 HA LYS 16 HA LYS 16 -11.916 -9.314 -2.397 109 1HB LYS 16 1HB LYS 16 -11.104 -10.336 0.339 110 2HB LYS 16 2HB LYS 16 -12.697 -9.916 -0.403 111 1HG LYS 16 1HG LYS 16 -12.585 -11.886 -1.910 112 2HG LYS 16 2HG LYS 16 -11.018 -12.354 -1.201 113 1HD LYS 16 1HD LYS 16 -13.603 -12.027 0.502 114 2HD LYS 16 2HD LYS 16 -13.264 -13.540 -0.362 115 1HE LYS 16 1HE LYS 16 -11.284 -13.940 0.962 116 2HE LYS 16 2HE LYS 16 -11.396 -12.425 1.762 117 1HZ LYS 16 1HZ LYS 16 -13.102 -12.999 3.158 118 2HZ LYS 16 2HZ LYS 16 -13.820 -13.904 2.090 119 H GLU 17 H GLU 17 -9.146 -8.480 -0.194 120 HA GLU 17 HA GLU 17 -10.512 -6.074 1.025 121 1HB GLU 17 1HB GLU 17 -7.636 -7.139 1.182 122 2HB GLU 17 2HB GLU 17 -8.375 -5.722 2.126 123 1HG GLU 17 1HG GLU 17 -9.659 -7.252 3.364 124 2HG GLU 17 2HG GLU 17 -9.321 -8.687 2.356 125 HE2 GLU 17 HE GLU 17 -6.634 -7.387 5.102 126 H HIS 18 H HIS 18 -7.671 -6.307 -1.159 127 HA HIS 18 HA HIS 18 -7.327 -3.600 -1.630 128 1HB HIS 18 1HB HIS 18 -5.719 -5.496 -1.800 129 2HB HIS 18 2HB HIS 18 -6.493 -5.997 -3.233 130 HD1 HIS 18 1HD HIS 18 -6.608 -3.071 -4.786 131 HD2 HIS 18 2HD HIS 18 -3.515 -5.318 -3.034 132 HE1 HIS 18 1HE HIS 18 -4.297 -2.705 -6.009 133 H PHE 19 H PHE 19 -8.578 -5.851 -3.722 134 HA PHE 19 HA PHE 19 -9.505 -4.046 -5.834 135 1HB PHE 19 1HB PHE 19 -9.092 -6.538 -6.211 136 2HB PHE 19 2HB PHE 19 -10.858 -6.750 -5.906 137 HD1 PHE 19 1HD PHE 19 -12.223 -6.590 -7.765 138 HD2 PHE 19 2HD PHE 19 -8.189 -5.048 -8.148 139 HE1 PHE 19 1HE PHE 19 -12.570 -6.002 -10.102 140 HE2 PHE 19 2HE PHE 19 -8.634 -4.534 -10.526 141 HZ PHE 19 HZ PHE 19 -10.868 -4.969 -11.518 142 H GLU 20 H GLU 20 -11.655 -5.683 -3.596 143 HA GLU 20 HA GLU 20 -14.114 -4.393 -4.362 144 1HB GLU 20 1HB GLU 20 -13.461 -5.573 -1.676 145 2HB GLU 20 2HB GLU 20 -15.039 -4.984 -2.102 146 1HG GLU 20 1HG GLU 20 -13.441 -7.253 -3.573 147 2HG GLU 20 2HG GLU 20 -14.557 -7.540 -2.214 148 HE2 GLU 20 HE GLU 20 -17.330 -7.588 -4.138 149 H LYS 21 H LYS 21 -11.932 -3.408 -1.665 150 HA LYS 21 HA LYS 21 -13.351 -0.828 -1.175 151 1HB LYS 21 1HB LYS 21 -10.512 -1.562 -0.484 152 2HB LYS 21 2HB LYS 21 -11.298 -0.138 0.166 153 1HG LYS 21 1HG LYS 21 -11.723 -3.104 0.808 154 2HG LYS 21 2HG LYS 21 -11.051 -1.885 1.853 155 1HD LYS 21 1HD LYS 21 -13.383 -0.780 2.080 156 2HD LYS 21 2HD LYS 21 -13.971 -2.131 0.933 157 1HE LYS 21 1HE LYS 21 -14.623 -2.953 3.117 158 2HE LYS 21 2HE LYS 21 -13.133 -3.836 2.665 159 1HZ LYS 21 1HZ LYS 21 -13.220 -1.561 4.384 160 2HZ LYS 21 2HZ LYS 21 -13.056 -3.135 4.848 161 H GLY 22 H GLY 22 -10.249 -1.434 -2.760 162 1HA GLY 22 1HA GLY 22 -9.710 1.099 -3.888 163 2HA GLY 22 2HA GLY 22 -9.284 -0.326 -4.655 164 H LYS 23 H LYS 23 -10.694 -1.066 -6.266 165 HA LYS 23 HA LYS 23 -12.480 0.810 -7.667 166 1HB LYS 23 1HB LYS 23 -11.211 -0.672 -8.965 167 2HB LYS 23 2HB LYS 23 -12.063 -2.001 -8.317 168 1HG LYS 23 1HG LYS 23 -14.316 -0.806 -9.080 169 2HG LYS 23 2HG LYS 23 -13.260 0.277 -10.079 170 1HD LYS 23 1HD LYS 23 -13.737 -2.758 -10.255 171 2HD LYS 23 2HD LYS 23 -14.322 -1.411 -11.246 172 1HE LYS 23 1HE LYS 23 -11.350 -2.300 -11.134 173 2HE LYS 23 2HE LYS 23 -12.494 -2.880 -12.325 174 1HZ LYS 23 1HZ LYS 23 -11.585 -0.072 -11.870 175 2HZ LYS 23 2HZ LYS 23 -11.430 -0.875 -13.341 176 H GLY 24 H GLY 24 -13.953 1.240 -6.296 177 1HA GLY 24 1HA GLY 24 -16.511 0.150 -6.768 178 2HA GLY 24 2HA GLY 24 -16.094 -0.821 -5.336 179 H SER 25 H SER 25 -14.779 0.851 -3.981 180 HA SER 25 HA SER 25 -16.949 2.406 -2.619 181 1HB SER 25 1HB SER 25 -14.349 1.556 -1.230 182 2HB SER 25 2HB SER 25 -15.654 2.327 -0.538 183 HG SER 25 HG SER 25 -15.622 -0.218 -1.709 184 H GLN 26 H GLN 26 -16.574 4.612 -2.543 185 HA GLN 26 HA GLN 26 -14.470 6.292 -3.780 186 1HB GLN 26 1HB GLN 26 -16.838 6.980 -1.962 187 2HB GLN 26 2HB GLN 26 -15.743 8.052 -2.665 188 1HG GLN 26 1HG GLN 26 -17.562 8.153 -4.192 189 2HG GLN 26 2HG GLN 26 -16.566 7.178 -5.086 190 1HE2 GLN 26 1HE2 GLN 26 -18.016 5.811 -6.091 191 2HE2 GLN 26 2HE2 GLN 26 -19.162 4.571 -5.241 192 H LYS 27 H LYS 27 -12.799 4.968 -2.461 193 HA LYS 27 HA LYS 27 -11.562 6.879 -0.489 194 1HB LYS 27 1HB LYS 27 -10.799 5.303 0.837 195 2HB LYS 27 2HB LYS 27 -12.604 5.167 0.832 196 1HG LYS 27 1HG LYS 27 -12.363 2.961 -0.541 197 2HG LYS 27 2HG LYS 27 -10.544 3.241 -0.356 198 1HD LYS 27 1HD LYS 27 -10.883 1.758 1.397 199 2HD LYS 27 2HD LYS 27 -11.009 3.265 2.166 200 1HE LYS 27 1HE LYS 27 -13.542 3.270 2.094 201 2HE LYS 27 2HE LYS 27 -13.368 1.736 1.263 202 1HZ LYS 27 1HZ LYS 27 -11.996 2.002 3.809 203 2HZ LYS 27 2HZ LYS 27 -13.651 1.647 3.854 204 H LEU 28 H LEU 28 -9.409 6.628 -0.470 205 HA LEU 28 HA LEU 28 -7.765 5.390 -2.680 206 1HB LEU 28 1HB LEU 28 -7.339 7.849 -2.204 207 2HB LEU 28 2HB LEU 28 -6.929 7.393 -0.416 208 HG LEU 28 HG LEU 28 -4.912 6.110 -1.388 209 1HD1 LEU 28 1HD1 LEU 28 -4.150 6.595 -3.712 210 2HD1 LEU 28 2HD1 LEU 28 -5.686 5.618 -3.557 211 3HD1 LEU 28 3HD1 LEU 28 -5.679 7.355 -3.980 212 1HD2 LEU 28 1HD2 LEU 28 -3.632 8.018 -1.771 213 2HD2 LEU 28 2HD2 LEU 28 -4.934 9.009 -2.156 214 3HD2 LEU 28 3HD2 LEU 28 -4.691 8.428 -0.468 215 H ILE 29 H ILE 29 -6.377 3.980 -2.300 216 HA ILE 29 HA ILE 29 -6.017 2.552 0.341 217 HB ILE 29 HB ILE 29 -6.335 0.391 -0.336 218 1HG1 ILE 29 1HG1 ILE 29 -7.286 0.956 -3.269 219 2HG1 ILE 29 2HG1 ILE 29 -5.665 0.757 -2.894 220 1HG2 ILE 29 1HG2 ILE 29 -8.793 0.290 -0.450 221 2HG2 ILE 29 2HG2 ILE 29 -8.472 1.682 0.270 222 3HG2 ILE 29 3HG2 ILE 29 -8.922 1.765 -1.504 223 1HD1 ILE 29 1HD1 ILE 29 -6.929 -1.354 -3.572 224 2HD1 ILE 29 2HD1 ILE 29 -6.056 -1.541 -2.044 225 3HD1 ILE 29 3HD1 ILE 29 -7.744 -1.356 -2.010 226 H VAL 30 H VAL 30 -4.036 2.175 0.468 227 HA VAL 30 HA VAL 30 -1.881 2.683 -1.567 228 HB VAL 30 HB VAL 30 -1.505 3.773 1.250 229 1HG1 VAL 30 1HG1 VAL 30 0.167 4.079 -1.124 230 2HG1 VAL 30 2HG1 VAL 30 0.475 4.889 0.471 231 3HG1 VAL 30 3HG1 VAL 30 0.572 3.115 0.364 232 1HG2 VAL 30 1HG2 VAL 30 -1.808 6.015 0.317 233 2HG2 VAL 30 2HG2 VAL 30 -2.417 5.378 -1.220 234 3HG2 VAL 30 3HG2 VAL 30 -3.225 5.114 0.268 235 H VAL 31 H VAL 31 -0.423 1.338 -1.426 236 HA VAL 31 HA VAL 31 -0.417 -0.963 0.607 237 HB VAL 31 HB VAL 31 -2.132 -1.463 -0.773 238 1HG1 VAL 31 1HG1 VAL 31 -1.676 -0.469 -2.846 239 2HG1 VAL 31 2HG1 VAL 31 -0.505 -1.511 -3.326 240 3HG1 VAL 31 3HG1 VAL 31 -2.234 -2.222 -3.192 241 1HG2 VAL 31 1HG2 VAL 31 -1.793 -3.817 -1.315 242 2HG2 VAL 31 2HG2 VAL 31 -0.044 -3.505 -1.622 243 3HG2 VAL 31 3HG2 VAL 31 -0.636 -3.370 0.048 244 H ASP 32 H ASP 32 1.439 -1.457 1.131 245 HA ASP 32 HA ASP 32 3.845 -1.209 -0.361 246 1HB ASP 32 1HB ASP 32 3.518 -0.884 2.378 247 2HB ASP 32 2HB ASP 32 3.401 -2.491 2.399 248 HD2 ASP 32 HD ASP 32 6.931 -1.869 0.632 249 H PHE 33 H PHE 33 5.108 -3.090 -1.159 250 HA PHE 33 HA PHE 33 4.154 -5.846 -1.252 251 1HB PHE 33 1HB PHE 33 5.280 -3.955 -3.535 252 2HB PHE 33 2HB PHE 33 5.135 -5.629 -3.517 253 HD1 PHE 33 1HD PHE 33 3.230 -7.208 -3.480 254 HD2 PHE 33 2HD PHE 33 2.876 -2.982 -3.827 255 HE1 PHE 33 1HE PHE 33 0.875 -7.343 -4.196 256 HE2 PHE 33 2HE PHE 33 0.445 -3.141 -4.273 257 HZ PHE 33 HZ PHE 33 -0.576 -5.414 -4.409 258 H THR 34 H THR 34 6.018 -7.083 -0.409 259 HA THR 34 HA THR 34 8.506 -5.771 0.002 260 HB THR 34 HB THR 34 7.363 -4.476 1.930 261 HG1 THR 34 1HG THR 34 8.953 -6.616 2.750 262 1HG2 THR 34 1HG2 THR 34 5.398 -6.347 2.399 263 2HG2 THR 34 2HG2 THR 34 6.680 -7.236 3.161 264 3HG2 THR 34 3HG2 THR 34 6.292 -5.612 3.728 265 H ALA 35 H ALA 35 9.863 -7.439 0.657 266 HA ALA 35 HA ALA 35 8.953 -10.276 1.104 267 1HB ALA 35 1HB ALA 35 10.824 -9.747 -0.239 268 2HB ALA 35 2HB ALA 35 11.662 -8.841 1.099 269 3HB ALA 35 3HB ALA 35 11.357 -10.686 1.196 270 H SER 36 H SER 36 9.345 -11.375 3.150 271 HA SER 36 HA SER 36 9.826 -9.909 5.693 272 1HB SER 36 1HB SER 36 8.997 -12.519 5.250 273 2HB SER 36 2HB SER 36 10.752 -12.740 5.337 274 HG SER 36 HG SER 36 10.242 -11.312 7.229 275 H TRP 37 H TRP 37 12.091 -11.490 3.505 276 HA TRP 37 HA TRP 37 14.533 -10.409 4.790 277 1HB TRP 37 1HB TRP 37 15.764 -11.118 2.865 278 2HB TRP 37 2HB TRP 37 14.797 -12.352 3.714 279 HD1 TRP 37 HD TRP 37 12.454 -13.348 2.521 280 HE1 TRP 37 1HE TRP 37 12.097 -13.957 0.145 281 HE3 TRP 37 3HE TRP 37 15.949 -10.111 0.423 282 HZ2 TRP 37 2HZ TRP 37 12.927 -12.908 -2.322 283 HZ3 TRP 37 3HZ TRP 37 15.771 -9.790 -1.948 284 HH2 TRP 37 HH TRP 37 14.446 -11.227 -3.422 285 H CYS 38 H CYS 38 13.631 -8.268 5.017 286 HA CYS 38 HA CYS 38 14.791 -6.311 3.172 287 1HB CYS 38 1HB CYS 38 12.767 -6.627 1.747 288 2HB CYS 38 2HB CYS 38 11.577 -6.536 3.118 289 HG CYS 38 HG CYS 38 10.969 -4.593 2.219 290 HA PRO 39 HA PRO 39 14.542 -4.548 7.448 291 1HB PRO 39 1HB PRO 39 17.057 -3.357 6.242 292 2HB PRO 39 2HB PRO 39 16.724 -3.726 7.961 293 1HG PRO 39 1HG PRO 39 18.124 -5.644 6.442 294 2HG PRO 39 2HG PRO 39 16.684 -6.296 7.344 295 1HD PRO 39 1HD PRO 39 16.693 -5.362 4.419 296 2HD PRO 39 2HD PRO 39 16.123 -6.953 5.298 297 HA PRO 40 HA PRO 40 14.449 -0.025 5.108 298 1HB PRO 40 1HB PRO 40 13.631 -1.363 2.447 299 2HB PRO 40 2HB PRO 40 14.265 0.257 2.748 300 1HG PRO 40 1HG PRO 40 15.862 -1.684 1.890 301 2HG PRO 40 2HG PRO 40 16.426 -0.636 3.258 302 1HD PRO 40 1HD PRO 40 15.119 -3.476 3.351 303 2HD PRO 40 2HD PRO 40 16.633 -2.831 4.204 304 H CYS 41 H CYS 41 12.171 -2.571 4.000 305 HA CYS 41 HA CYS 41 9.770 -1.026 4.864 306 1HB CYS 41 1HB CYS 41 9.580 -3.892 4.064 307 2HB CYS 41 2HB CYS 41 8.269 -2.761 4.370 308 HG CYS 41 HG CYS 41 9.347 -0.971 2.545 309 H LYS 42 H LYS 42 11.766 -3.298 6.522 310 HA LYS 42 HA LYS 42 10.093 -3.714 8.754 311 1HB LYS 42 1HB LYS 42 12.477 -5.036 8.481 312 2HB LYS 42 2HB LYS 42 13.207 -3.548 8.885 313 1HG LYS 42 1HG LYS 42 12.134 -3.525 11.179 314 2HG LYS 42 2HG LYS 42 11.336 -5.009 10.848 315 1HD LYS 42 1HD LYS 42 13.499 -6.173 10.505 316 2HD LYS 42 2HD LYS 42 14.271 -4.545 10.800 317 1HE LYS 42 1HE LYS 42 14.530 -6.044 12.762 318 2HE LYS 42 2HE LYS 42 13.480 -4.606 13.224 319 1HZ LYS 42 1HZ LYS 42 12.520 -6.628 14.056 320 2HZ LYS 42 2HZ LYS 42 11.595 -5.866 12.981 321 H MET 43 H MET 43 12.224 -1.085 8.135 322 HA MET 43 HA MET 43 11.312 0.620 10.383 323 1HB MET 43 1HB MET 43 12.604 2.524 9.704 324 2HB MET 43 2HB MET 43 13.532 0.989 9.550 325 1HG MET 43 1HG MET 43 13.010 1.069 6.969 326 2HG MET 43 2HG MET 43 12.068 2.518 7.299 327 1HE MET 43 1HE MET 43 13.240 3.948 5.798 328 2HE MET 43 2HE MET 43 13.360 5.010 7.266 329 3HE MET 43 3HE MET 43 14.746 4.763 6.126 330 H ILE 44 H ILE 44 10.464 0.549 6.945 331 HA ILE 44 HA ILE 44 8.525 2.584 7.310 332 HB ILE 44 HB ILE 44 9.404 1.173 5.055 333 1HG1 ILE 44 1HG1 ILE 44 7.972 2.591 3.741 334 2HG1 ILE 44 2HG1 ILE 44 7.060 3.164 5.154 335 1HG2 ILE 44 1HG2 ILE 44 6.510 0.469 5.031 336 2HG2 ILE 44 2HG2 ILE 44 7.644 0.059 3.720 337 3HG2 ILE 44 3HG2 ILE 44 7.684 -0.727 5.310 338 1HD1 ILE 44 1HD1 ILE 44 10.192 3.618 4.755 339 2HD1 ILE 44 2HD1 ILE 44 8.836 4.841 4.588 340 3HD1 ILE 44 3HD1 ILE 44 9.242 4.171 6.137 341 H ALA 45 H ALA 45 7.939 -0.720 8.276 342 HA ALA 45 HA ALA 45 5.037 -0.718 8.351 343 1HB ALA 45 1HB ALA 45 7.121 -2.349 9.866 344 2HB ALA 45 2HB ALA 45 5.355 -2.622 9.987 345 3HB ALA 45 3HB ALA 45 6.227 -2.657 8.485 346 HA PRO 46 HA PRO 46 5.058 1.732 12.584 347 1HB PRO 46 1HB PRO 46 7.941 2.490 12.939 348 2HB PRO 46 2HB PRO 46 6.799 2.191 14.286 349 1HG PRO 46 1HG PRO 46 8.543 0.202 13.611 350 2HG PRO 46 2HG PRO 46 6.708 -0.204 13.704 351 1HD PRO 46 1HD PRO 46 8.312 0.499 11.145 352 2HD PRO 46 2HD PRO 46 7.383 -1.033 11.523 353 H ILE 47 H ILE 47 7.259 3.056 10.031 354 HA ILE 47 HA ILE 47 6.124 5.752 10.175 355 HB ILE 47 HB ILE 47 7.531 4.515 7.836 356 1HG1 ILE 47 1HG1 ILE 47 9.185 4.597 9.644 357 2HG1 ILE 47 2HG1 ILE 47 9.525 5.712 8.386 358 1HG2 ILE 47 1HG2 ILE 47 6.027 6.418 7.063 359 2HG2 ILE 47 2HG2 ILE 47 7.063 7.429 8.096 360 3HG2 ILE 47 3HG2 ILE 47 7.792 6.515 6.791 361 1HD1 ILE 47 1HD1 ILE 47 9.853 6.844 10.782 362 2HD1 ILE 47 2HD1 ILE 47 8.396 7.605 10.128 363 3HD1 ILE 47 3HD1 ILE 47 8.236 6.278 11.275 364 H PHE 48 H PHE 48 5.034 3.112 8.260 365 HA PHE 48 HA PHE 48 2.849 4.371 6.807 366 1HB PHE 48 1HB PHE 48 4.190 2.145 6.299 367 2HB PHE 48 2HB PHE 48 3.243 1.428 7.618 368 HD1 PHE 48 1HD PHE 48 1.802 -0.096 6.632 369 HD2 PHE 48 2HD PHE 48 2.451 3.531 4.478 370 HE1 PHE 48 1HE PHE 48 0.524 -1.002 4.795 371 HE2 PHE 48 2HE PHE 48 1.207 2.611 2.573 372 HZ PHE 48 HZ PHE 48 0.190 0.311 2.693 373 H ALA 49 H ALA 49 3.124 2.806 10.030 374 HA ALA 49 HA ALA 49 0.360 3.184 10.758 375 1HB ALA 49 1HB ALA 49 1.872 1.559 11.848 376 2HB ALA 49 2HB ALA 49 2.590 2.821 12.977 377 3HB ALA 49 3HB ALA 49 0.830 2.482 12.950 378 H GLU 50 H GLU 50 3.107 5.296 11.566 379 HA GLU 50 HA GLU 50 1.482 7.371 12.936 380 1HB GLU 50 1HB GLU 50 4.159 7.228 13.107 381 2HB GLU 50 2HB GLU 50 4.227 7.690 11.473 382 1HG GLU 50 1HG GLU 50 2.942 9.895 12.165 383 2HG GLU 50 2HG GLU 50 3.359 9.479 13.939 384 HE2 GLU 50 HE GLU 50 5.859 10.962 11.112 385 H LEU 51 H LEU 51 2.667 7.163 9.596 386 HA LEU 51 HA LEU 51 1.172 9.291 8.407 387 1HB LEU 51 1HB LEU 51 2.853 7.907 7.307 388 2HB LEU 51 2HB LEU 51 1.968 6.442 7.324 389 HG LEU 51 HG LEU 51 2.233 7.809 5.175 390 1HD1 LEU 51 1HD1 LEU 51 -0.469 6.834 5.772 391 2HD1 LEU 51 2HD1 LEU 51 0.214 7.099 4.180 392 3HD1 LEU 51 3HD1 LEU 51 0.875 5.842 5.195 393 1HD2 LEU 51 1HD2 LEU 51 1.333 10.070 6.159 394 2HD2 LEU 51 2HD2 LEU 51 0.588 9.572 4.632 395 3HD2 LEU 51 3HD2 LEU 51 -0.194 9.370 6.161 396 H ALA 52 H ALA 52 0.041 5.994 8.938 397 HA ALA 52 HA ALA 52 -2.684 6.342 8.038 398 1HB ALA 52 1HB ALA 52 -1.743 4.140 8.482 399 2HB ALA 52 2HB ALA 52 -1.836 4.287 10.222 400 3HB ALA 52 3HB ALA 52 -3.349 4.301 9.226 401 H LYS 53 H LYS 53 -1.527 6.995 11.131 402 HA LYS 53 HA LYS 53 -4.056 7.733 12.491 403 1HB LYS 53 1HB LYS 53 -1.163 8.355 13.343 404 2HB LYS 53 2HB LYS 53 -2.570 8.882 14.177 405 1HG LYS 53 1HG LYS 53 -3.102 6.761 15.020 406 2HG LYS 53 2HG LYS 53 -2.390 5.866 13.681 407 1HD LYS 53 1HD LYS 53 0.008 6.507 14.534 408 2HD LYS 53 2HD LYS 53 -0.814 7.179 15.914 409 1HE LYS 53 1HE LYS 53 -1.960 4.983 16.342 410 2HE LYS 53 2HE LYS 53 -1.130 4.272 14.848 411 1HZ LYS 53 1HZ LYS 53 0.135 5.460 17.265 412 2HZ LYS 53 2HZ LYS 53 0.046 3.755 16.841 413 H LYS 54 H LYS 54 -1.728 9.440 10.497 414 HA LYS 54 HA LYS 54 -2.688 12.126 10.948 415 1HB LYS 54 1HB LYS 54 -0.191 11.484 10.272 416 2HB LYS 54 2HB LYS 54 -0.772 11.029 8.727 417 1HG LYS 54 1HG LYS 54 -1.676 13.421 8.426 418 2HG LYS 54 2HG LYS 54 -1.259 13.863 10.041 419 1HD LYS 54 1HD LYS 54 0.622 13.107 7.581 420 2HD LYS 54 2HD LYS 54 0.264 14.741 8.139 421 1HE LYS 54 1HE LYS 54 1.500 14.378 10.271 422 2HE LYS 54 2HE LYS 54 1.774 12.639 9.935 423 1HZ LYS 54 1HZ LYS 54 3.714 13.968 9.362 424 2HZ LYS 54 2HZ LYS 54 2.920 13.347 8.018 425 H PHE 55 H PHE 55 -3.442 9.695 8.689 426 HA PHE 55 HA PHE 55 -5.276 11.407 7.045 427 1HB PHE 55 1HB PHE 55 -2.808 9.605 6.595 428 2HB PHE 55 2HB PHE 55 -3.913 9.412 5.429 429 HD1 PHE 55 1HD PHE 55 -1.383 11.494 6.547 430 HD2 PHE 55 2HD PHE 55 -4.989 11.766 4.266 431 HE1 PHE 55 1HE PHE 55 -0.649 13.666 5.646 432 HE2 PHE 55 2HE PHE 55 -4.236 13.976 3.415 433 HZ PHE 55 HZ PHE 55 -2.084 14.980 4.169 434 HA PRO 56 HA PRO 56 -8.458 7.876 8.071 435 1HB PRO 56 1HB PRO 56 -10.671 9.411 8.042 436 2HB PRO 56 2HB PRO 56 -9.468 9.368 9.325 437 1HG PRO 56 1HG PRO 56 -9.653 11.548 7.110 438 2HG PRO 56 2HG PRO 56 -9.578 11.658 8.859 439 1HD PRO 56 1HD PRO 56 -7.329 11.812 7.182 440 2HD PRO 56 2HD PRO 56 -7.245 11.313 8.873 441 H ASN 57 H ASN 57 -8.211 9.287 4.980 442 HA ASN 57 HA ASN 57 -10.910 8.475 4.032 443 1HB ASN 57 1HB ASN 57 -10.152 9.659 1.886 444 2HB ASN 57 2HB ASN 57 -10.374 10.765 3.263 445 1HD2 ASN 57 2HD2 ASN 57 -8.612 12.094 3.665 446 2HD2 ASN 57 1HD2 ASN 57 -7.019 12.065 2.969 447 H VAL 58 H VAL 58 -8.142 6.940 4.706 448 HA VAL 58 HA VAL 58 -7.826 5.466 2.123 449 HB VAL 58 HB VAL 58 -6.562 7.540 1.805 450 1HG1 VAL 58 1HG1 VAL 58 -5.410 7.151 4.605 451 2HG1 VAL 58 2HG1 VAL 58 -4.589 8.145 3.412 452 3HG1 VAL 58 3HG1 VAL 58 -6.214 8.501 3.988 453 1HG2 VAL 58 1HG2 VAL 58 -5.422 5.426 1.017 454 2HG2 VAL 58 2HG2 VAL 58 -4.327 6.717 1.570 455 3HG2 VAL 58 3HG2 VAL 58 -4.751 5.262 2.714 456 H THR 59 H THR 59 -8.076 3.539 2.691 457 HA THR 59 HA THR 59 -7.274 2.123 5.093 458 HB THR 59 HB THR 59 -7.710 1.177 2.211 459 HG1 THR 59 1HG THR 59 -9.640 0.458 3.403 460 1HG2 THR 59 1HG2 THR 59 -7.781 -0.549 4.761 461 2HG2 THR 59 2HG2 THR 59 -8.456 -1.107 3.211 462 3HG2 THR 59 3HG2 THR 59 -6.740 -0.746 3.311 463 H PHE 60 H PHE 60 -5.368 0.629 5.159 464 HA PHE 60 HA PHE 60 -2.902 0.947 3.367 465 1HB PHE 60 1HB PHE 60 -2.913 1.584 6.372 466 2HB PHE 60 2HB PHE 60 -1.515 1.442 5.341 467 HD1 PHE 60 1HD PHE 60 -1.249 3.065 3.312 468 HD2 PHE 60 2HD PHE 60 -3.671 3.674 6.826 469 HE1 PHE 60 1HE PHE 60 -1.277 5.507 2.914 470 HE2 PHE 60 2HE PHE 60 -3.759 6.166 6.295 471 HZ PHE 60 HZ PHE 60 -2.650 6.927 4.231 472 H LEU 61 H LEU 61 -2.324 -0.949 2.756 473 HA LEU 61 HA LEU 61 -2.267 -3.215 4.666 474 1HB LEU 61 1HB LEU 61 -3.698 -4.574 3.446 475 2HB LEU 61 2HB LEU 61 -4.447 -3.029 3.360 476 HG LEU 61 HG LEU 61 -3.251 -2.852 0.915 477 1HD1 LEU 61 1HD1 LEU 61 -3.734 -5.909 1.195 478 2HD1 LEU 61 2HD1 LEU 61 -3.560 -4.998 -0.356 479 3HD1 LEU 61 3HD1 LEU 61 -2.173 -5.082 0.724 480 1HD2 LEU 61 1HD2 LEU 61 -5.709 -2.557 1.390 481 2HD2 LEU 61 2HD2 LEU 61 -5.330 -3.448 -0.059 482 3HD2 LEU 61 3HD2 LEU 61 -5.777 -4.328 1.344 483 H LYS 62 H LYS 62 -1.133 -5.186 3.649 484 HA LYS 62 HA LYS 62 1.186 -4.436 1.959 485 1HB LYS 62 1HB LYS 62 2.885 -4.798 3.624 486 2HB LYS 62 2HB LYS 62 2.076 -3.333 3.973 487 1HG LYS 62 1HG LYS 62 0.929 -4.255 5.958 488 2HG LYS 62 2HG LYS 62 1.427 -5.869 5.568 489 1HD LYS 62 1HD LYS 62 3.876 -4.725 5.786 490 2HD LYS 62 2HD LYS 62 3.074 -3.424 6.579 491 1HE LYS 62 1HE LYS 62 2.876 -6.553 7.401 492 2HE LYS 62 2HE LYS 62 4.117 -5.455 8.018 493 1HZ LYS 62 1HZ LYS 62 2.741 -4.614 9.430 494 2HZ LYS 62 2HZ LYS 62 1.651 -5.771 9.150 495 H VAL 63 H VAL 63 1.536 -5.979 0.858 496 HA VAL 63 HA VAL 63 0.875 -8.715 1.360 497 HB VAL 63 HB VAL 63 2.047 -7.063 -1.020 498 1HG1 VAL 63 1HG1 VAL 63 1.006 -9.920 -1.201 499 2HG1 VAL 63 2HG1 VAL 63 1.392 -8.913 -2.664 500 3HG1 VAL 63 3HG1 VAL 63 2.645 -9.329 -1.467 501 1HG2 VAL 63 1HG2 VAL 63 -0.985 -7.824 -0.288 502 2HG2 VAL 63 2HG2 VAL 63 -0.239 -6.277 -0.905 503 3HG2 VAL 63 3HG2 VAL 63 -0.531 -7.680 -1.883 504 H ASP 64 H ASP 64 2.226 -10.267 1.722 505 HA ASP 64 HA ASP 64 5.215 -10.130 1.742 506 1HB ASP 64 1HB ASP 64 3.883 -11.430 3.477 507 2HB ASP 64 2HB ASP 64 3.531 -12.681 2.255 508 HD2 ASP 64 HD ASP 64 6.931 -12.561 4.354 509 H VAL 65 H VAL 65 5.922 -10.045 -0.179 510 HA VAL 65 HA VAL 65 5.108 -10.716 -2.855 511 HB VAL 65 HB VAL 65 6.754 -8.966 -2.116 512 1HG1 VAL 65 1HG1 VAL 65 8.203 -10.649 -0.913 513 2HG1 VAL 65 2HG1 VAL 65 8.962 -11.155 -2.364 514 3HG1 VAL 65 3HG1 VAL 65 9.086 -9.425 -1.892 515 1HG2 VAL 65 1HG2 VAL 65 7.501 -10.519 -4.563 516 2HG2 VAL 65 2HG2 VAL 65 6.028 -9.402 -4.366 517 3HG2 VAL 65 3HG2 VAL 65 7.836 -8.740 -4.210 518 H ASP 66 H ASP 66 7.169 -12.810 -0.666 519 HA ASP 66 HA ASP 66 7.637 -15.041 -2.636 520 1HB ASP 66 1HB ASP 66 7.952 -15.194 0.254 521 2HB ASP 66 2HB ASP 66 8.247 -16.491 -0.862 522 HD2 ASP 66 HD ASP 66 11.145 -15.139 -1.791 523 H GLU 67 H GLU 67 5.179 -14.627 -0.243 524 HA GLU 67 HA GLU 67 3.393 -16.745 -1.084 525 1HB GLU 67 1HB GLU 67 2.575 -14.357 0.502 526 2HB GLU 67 2HB GLU 67 1.556 -15.741 -0.076 527 1HG GLU 67 1HG GLU 67 3.002 -17.406 1.197 528 2HG GLU 67 2HG GLU 67 4.004 -15.898 1.670 529 HE2 GLU 67 HE GLU 67 0.682 -16.742 3.501 530 H LEU 68 H LEU 68 3.758 -13.514 -2.741 531 HA LEU 68 HA LEU 68 1.824 -14.306 -4.871 532 1HB LEU 68 1HB LEU 68 1.423 -11.839 -3.007 533 2HB LEU 68 2HB LEU 68 0.618 -12.063 -4.584 534 HG LEU 68 HG LEU 68 0.181 -13.836 -2.068 535 1HD1 LEU 68 1HD1 LEU 68 -1.891 -12.670 -1.752 536 2HD1 LEU 68 2HD1 LEU 68 -0.513 -11.476 -1.601 537 3HD1 LEU 68 3HD1 LEU 68 -1.613 -11.560 -3.048 538 1HD2 LEU 68 1HD2 LEU 68 -1.532 -13.607 -4.519 539 2HD2 LEU 68 2HD2 LEU 68 -0.375 -15.036 -4.180 540 3HD2 LEU 68 3HD2 LEU 68 -1.872 -14.739 -3.175 541 H LYS 69 H LYS 69 4.096 -14.231 -5.363 542 HA LYS 69 HA LYS 69 5.534 -11.919 -6.286 543 1HB LYS 69 1HB LYS 69 7.002 -13.024 -7.509 544 2HB LYS 69 2HB LYS 69 6.887 -13.762 -5.985 545 1HG LYS 69 1HG LYS 69 5.231 -15.298 -7.529 546 2HG LYS 69 2HG LYS 69 6.189 -14.663 -8.788 547 1HD LYS 69 1HD LYS 69 6.916 -16.834 -8.433 548 2HD LYS 69 2HD LYS 69 8.138 -15.706 -8.088 549 1HE LYS 69 1HE LYS 69 8.023 -16.033 -5.513 550 2HE LYS 69 2HE LYS 69 6.446 -16.685 -5.652 551 1HZ LYS 69 1HZ LYS 69 7.467 -18.677 -6.654 552 2HZ LYS 69 2HZ LYS 69 8.851 -18.038 -6.714 553 H ALA 70 H ALA 70 3.523 -14.030 -7.919 554 HA ALA 70 HA ALA 70 3.697 -13.103 -10.555 555 1HB ALA 70 1HB ALA 70 1.707 -14.333 -11.261 556 2HB ALA 70 2HB ALA 70 2.671 -15.219 -9.892 557 3HB ALA 70 3HB ALA 70 1.237 -14.267 -9.440 558 H VAL 71 H VAL 71 0.666 -12.353 -8.879 559 HA VAL 71 HA VAL 71 -0.070 -9.841 -10.149 560 HB VAL 71 HB VAL 71 -1.506 -11.342 -8.430 561 1HG1 VAL 71 1HG1 VAL 71 -1.013 -11.468 -6.309 562 2HG1 VAL 71 2HG1 VAL 71 0.626 -10.709 -6.491 563 3HG1 VAL 71 3HG1 VAL 71 -0.753 -9.736 -6.227 564 1HG2 VAL 71 1HG2 VAL 71 -2.688 -9.297 -7.717 565 2HG2 VAL 71 2HG2 VAL 71 -1.328 -8.459 -8.176 566 3HG2 VAL 71 3HG2 VAL 71 -2.305 -9.297 -9.561 567 H ALA 72 H ALA 72 2.293 -10.169 -7.329 568 HA ALA 72 HA ALA 72 2.270 -7.369 -6.867 569 1HB ALA 72 1HB ALA 72 4.552 -9.329 -6.698 570 2HB ALA 72 2HB ALA 72 4.814 -7.700 -6.173 571 3HB ALA 72 3HB ALA 72 3.543 -8.652 -5.372 572 H GLU 73 H GLU 73 3.907 -9.249 -9.248 573 HA GLU 73 HA GLU 73 5.789 -7.365 -10.649 574 1HB GLU 73 1HB GLU 73 4.612 -9.867 -11.663 575 2HB GLU 73 2HB GLU 73 5.630 -8.811 -12.599 576 1HG GLU 73 1HG GLU 73 7.571 -9.077 -10.930 577 2HG GLU 73 2HG GLU 73 6.567 -10.104 -9.945 578 HE2 GLU 73 HE GLU 73 8.467 -10.016 -12.582 579 H GLU 74 H GLU 74 2.413 -8.480 -11.202 580 HA GLU 74 HA GLU 74 1.780 -7.004 -13.650 581 1HB GLU 74 1HB GLU 74 -0.277 -7.423 -13.836 582 2HB GLU 74 2HB GLU 74 0.484 -8.908 -13.027 583 1HG GLU 74 1HG GLU 74 -1.326 -8.904 -11.600 584 2HG GLU 74 2HG GLU 74 -0.613 -7.447 -10.870 585 HE2 GLU 74 HE GLU 74 -2.592 -8.857 -13.109 586 H TRP 75 H TRP 75 1.053 -5.976 -10.260 587 HA TRP 75 HA TRP 75 -0.051 -3.236 -10.599 588 1HB TRP 75 1HB TRP 75 1.514 -4.285 -8.258 589 2HB TRP 75 2HB TRP 75 0.354 -2.955 -8.300 590 HD1 TRP 75 HD TRP 75 0.392 -6.268 -6.860 591 HE1 TRP 75 1HE TRP 75 -1.825 -7.151 -6.399 592 HE3 TRP 75 3HE TRP 75 -2.248 -3.152 -10.072 593 HZ2 TRP 75 2HZ TRP 75 -4.226 -7.034 -7.720 594 HZ3 TRP 75 3HZ TRP 75 -4.341 -3.781 -10.566 595 HH2 TRP 75 HH TRP 75 -5.629 -5.627 -9.210 596 H ASN 76 H ASN 76 3.213 -4.349 -9.777 597 HA ASN 76 HA ASN 76 4.882 -3.925 -11.670 598 1HB ASN 76 1HB ASN 76 4.060 -1.836 -12.588 599 2HB ASN 76 2HB ASN 76 4.643 -0.859 -11.186 600 1HD2 ASN 76 1HD2 ASN 76 6.059 -3.013 -13.816 601 2HD2 ASN 76 2HD2 ASN 76 7.555 -1.980 -13.864 602 H VAL 77 H VAL 77 5.647 -5.336 -10.041 603 HA VAL 77 HA VAL 77 7.785 -4.011 -8.378 604 HB VAL 77 HB VAL 77 5.978 -6.488 -7.437 605 1HG1 VAL 77 1HG1 VAL 77 7.819 -4.693 -5.832 606 2HG1 VAL 77 2HG1 VAL 77 6.881 -6.113 -5.234 607 3HG1 VAL 77 3HG1 VAL 77 8.278 -6.345 -6.357 608 1HG2 VAL 77 1HG2 VAL 77 4.937 -5.000 -6.037 609 2HG2 VAL 77 2HG2 VAL 77 5.645 -3.478 -6.567 610 3HG2 VAL 77 3HG2 VAL 77 4.513 -4.499 -7.522 611 H GLU 78 H GLU 78 8.890 -4.299 -10.128 612 HA GLU 78 HA GLU 78 10.285 -6.957 -10.389 613 1HB GLU 78 1HB GLU 78 11.671 -5.953 -12.116 614 2HB GLU 78 2HB GLU 78 9.937 -5.836 -12.398 615 1HG GLU 78 1HG GLU 78 10.652 -3.680 -12.910 616 2HG GLU 78 2HG GLU 78 10.007 -3.469 -11.289 617 HE2 GLU 78 HE GLU 78 12.486 -3.847 -13.442 618 H ALA 79 H ALA 79 10.299 -4.536 -8.150 619 HA ALA 79 HA ALA 79 12.701 -5.504 -6.708 620 1HB ALA 79 1HB ALA 79 13.851 -3.326 -6.629 621 2HB ALA 79 2HB ALA 79 13.924 -3.761 -8.172 622 3HB ALA 79 3HB ALA 79 12.784 -2.481 -7.479 623 H MET 80 H MET 80 12.929 -5.329 -4.965 624 HA MET 80 HA MET 80 10.915 -4.408 -3.069 625 1HB MET 80 1HB MET 80 13.832 -5.511 -2.977 626 2HB MET 80 2HB MET 80 13.292 -4.821 -1.608 627 1HG MET 80 1HG MET 80 11.943 -7.059 -3.069 628 2HG MET 80 2HG MET 80 12.806 -7.185 -1.603 629 1HE MET 80 1HE MET 80 8.445 -6.830 -2.248 630 2HE MET 80 2HE MET 80 8.944 -5.342 -2.799 631 3HE MET 80 3HE MET 80 9.662 -6.961 -3.446 632 HA PRO 81 HA PRO 81 9.854 -2.854 -3.043 633 1HB PRO 81 1HB PRO 81 9.440 -2.009 -0.248 634 2HB PRO 81 2HB PRO 81 10.681 -3.252 -0.457 635 1HG PRO 81 1HG PRO 81 11.184 -0.583 0.252 636 2HG PRO 81 2HG PRO 81 12.304 -1.839 0.202 637 1HD PRO 81 1HD PRO 81 11.665 0.150 -1.641 638 2HD PRO 81 2HD PRO 81 13.196 -0.686 -1.465 639 H THR 82 H THR 82 8.053 -2.303 -2.584 640 HA THR 82 HA THR 82 7.600 0.330 -3.947 641 HB THR 82 HB THR 82 6.447 -2.302 -5.052 642 HG1 THR 82 1HG THR 82 8.470 -2.726 -5.143 643 1HG2 THR 82 1HG2 THR 82 6.933 0.544 -6.015 644 2HG2 THR 82 2HG2 THR 82 6.768 -0.876 -7.172 645 3HG2 THR 82 3HG2 THR 82 5.481 -0.251 -6.287 646 H PHE 83 H PHE 83 6.041 1.463 -3.642 647 HA PHE 83 HA PHE 83 3.573 0.837 -2.225 648 1HB PHE 83 1HB PHE 83 5.116 3.461 -2.560 649 2HB PHE 83 2HB PHE 83 3.672 3.310 -2.033 650 HD1 PHE 83 1HD PHE 83 6.940 2.557 -1.329 651 HD2 PHE 83 2HD PHE 83 3.052 2.564 0.345 652 HE1 PHE 83 1HE PHE 83 7.772 1.347 0.583 653 HE2 PHE 83 2HE PHE 83 4.017 1.838 2.675 654 HZ PHE 83 HZ PHE 83 6.485 1.733 2.756 655 H ILE 84 H ILE 84 1.738 0.682 -3.389 656 HA ILE 84 HA ILE 84 1.324 2.101 -5.955 657 HB ILE 84 HB ILE 84 1.100 -0.887 -4.775 658 1HG1 ILE 84 1HG1 ILE 84 1.533 -0.342 -7.826 659 2HG1 ILE 84 2HG1 ILE 84 2.618 0.326 -6.814 660 1HG2 ILE 84 1HG2 ILE 84 -0.808 -0.017 -6.861 661 2HG2 ILE 84 2HG2 ILE 84 -0.572 -1.768 -6.189 662 3HG2 ILE 84 3HG2 ILE 84 -1.268 -0.505 -5.270 663 1HD1 ILE 84 1HD1 ILE 84 3.440 -1.698 -5.546 664 2HD1 ILE 84 2HD1 ILE 84 1.976 -2.461 -6.267 665 3HD1 ILE 84 3HD1 ILE 84 3.481 -2.033 -7.256 666 H PHE 85 H PHE 85 -0.449 2.591 -6.454 667 HA PHE 85 HA PHE 85 -2.193 3.690 -4.195 668 1HB PHE 85 1HB PHE 85 -0.879 5.223 -6.623 669 2HB PHE 85 2HB PHE 85 -2.175 5.889 -5.570 670 HD1 PHE 85 1HD PHE 85 1.356 4.335 -5.158 671 HD2 PHE 85 2HD PHE 85 -1.498 7.094 -3.595 672 HE1 PHE 85 1HE PHE 85 2.968 4.893 -3.463 673 HE2 PHE 85 2HE PHE 85 -0.002 7.747 -1.898 674 HZ PHE 85 HZ PHE 85 2.365 6.507 -1.831 675 H LEU 86 H LEU 86 -3.908 2.771 -4.634 676 HA LEU 86 HA LEU 86 -5.202 2.386 -7.273 677 1HB LEU 86 1HB LEU 86 -4.293 0.340 -5.946 678 2HB LEU 86 2HB LEU 86 -5.735 0.430 -5.020 679 HG LEU 86 HG LEU 86 -6.136 -1.129 -6.299 680 1HD1 LEU 86 1HD1 LEU 86 -8.022 -0.717 -7.819 681 2HD1 LEU 86 2HD1 LEU 86 -8.109 0.306 -6.366 682 3HD1 LEU 86 3HD1 LEU 86 -7.613 1.016 -7.946 683 1HD2 LEU 86 1HD2 LEU 86 -4.973 0.101 -8.849 684 2HD2 LEU 86 2HD2 LEU 86 -4.223 -1.032 -7.832 685 3HD2 LEU 86 3HD2 LEU 86 -5.726 -1.521 -8.845 686 H LYS 87 H LYS 87 -6.956 3.730 -7.121 687 HA LYS 87 HA LYS 87 -8.458 4.311 -4.632 688 1HB LYS 87 1HB LYS 87 -6.712 5.993 -6.063 689 2HB LYS 87 2HB LYS 87 -7.914 6.064 -7.235 690 1HG LYS 87 1HG LYS 87 -9.652 6.804 -5.167 691 2HG LYS 87 2HG LYS 87 -8.195 6.992 -4.316 692 1HD LYS 87 1HD LYS 87 -7.454 8.572 -6.196 693 2HD LYS 87 2HD LYS 87 -8.938 8.597 -6.944 694 1HE LYS 87 1HE LYS 87 -10.041 9.018 -4.524 695 2HE LYS 87 2HE LYS 87 -8.408 9.468 -4.053 696 1HZ LYS 87 1HZ LYS 87 -8.220 11.069 -5.667 697 2HZ LYS 87 2HZ LYS 87 -9.670 10.651 -6.355 698 H ASP 88 H ASP 88 -10.853 4.517 -5.183 699 HA ASP 88 HA ASP 88 -12.318 3.598 -7.145 700 1HB ASP 88 1HB ASP 88 -14.090 5.061 -6.847 701 2HB ASP 88 2HB ASP 88 -13.289 4.754 -5.371 702 HD2 ASP 88 HD ASP 88 -12.569 7.962 -4.701 703 H GLY 89 H GLY 89 -10.239 4.099 -8.728 704 1HA GLY 89 1HA GLY 89 -11.704 4.162 -11.193 705 2HA GLY 89 2HA GLY 89 -10.617 5.624 -10.988 706 H LYS 90 H LYS 90 -9.994 2.196 -9.969 707 HA LYS 90 HA LYS 90 -8.396 0.647 -10.372 708 1HB LYS 90 1HB LYS 90 -9.155 1.255 -12.793 709 2HB LYS 90 2HB LYS 90 -7.412 1.678 -13.025 710 1HG LYS 90 1HG LYS 90 -6.925 -0.665 -12.225 711 2HG LYS 90 2HG LYS 90 -8.649 -0.990 -12.076 712 1HD LYS 90 1HD LYS 90 -6.979 -0.522 -14.685 713 2HD LYS 90 2HD LYS 90 -7.512 -1.929 -13.931 714 1HE LYS 90 1HE LYS 90 -10.119 -1.057 -14.315 715 2HE LYS 90 2HE LYS 90 -9.362 0.334 -15.028 716 1HZ LYS 90 1HZ LYS 90 -9.127 -2.463 -15.972 717 2HZ LYS 90 2HZ LYS 90 -8.191 -1.080 -16.550 718 H LEU 91 H LEU 91 -5.836 0.961 -11.788 719 HA LEU 91 HA LEU 91 -4.126 1.754 -9.746 720 1HB LEU 91 1HB LEU 91 -3.767 -0.256 -11.227 721 2HB LEU 91 2HB LEU 91 -3.490 0.948 -12.630 722 HG LEU 91 HG LEU 91 -1.378 1.736 -11.361 723 1HD1 LEU 91 1HD1 LEU 91 -0.431 0.206 -9.648 724 2HD1 LEU 91 2HD1 LEU 91 -1.767 1.019 -8.981 725 3HD1 LEU 91 3HD1 LEU 91 -2.034 -0.618 -9.420 726 1HD2 LEU 91 1HD2 LEU 91 -0.075 0.118 -12.084 727 2HD2 LEU 91 2HD2 LEU 91 -1.277 -1.187 -11.996 728 3HD2 LEU 91 3HD2 LEU 91 -1.453 0.157 -13.305 729 H VAL 92 H VAL 92 -3.955 3.781 -9.267 730 HA VAL 92 HA VAL 92 -3.806 6.145 -11.126 731 HB VAL 92 HB VAL 92 -3.836 7.648 -9.398 732 1HG1 VAL 92 1HG1 VAL 92 -6.373 7.349 -8.938 733 2HG1 VAL 92 2HG1 VAL 92 -5.843 7.057 -10.609 734 3HG1 VAL 92 3HG1 VAL 92 -6.182 5.772 -9.411 735 1HG2 VAL 92 1HG2 VAL 92 -4.624 5.262 -7.487 736 2HG2 VAL 92 2HG2 VAL 92 -3.100 6.079 -7.501 737 3HG2 VAL 92 3HG2 VAL 92 -4.502 7.002 -7.067 738 H ASP 93 H ASP 93 -1.336 4.669 -8.713 739 HA ASP 93 HA ASP 93 0.696 5.985 -10.170 740 1HB ASP 93 1HB ASP 93 -0.308 7.902 -8.609 741 2HB ASP 93 2HB ASP 93 -0.086 6.978 -7.253 742 HD2 ASP 93 HD ASP 93 1.479 7.248 -6.282 743 H LYS 94 H LYS 94 2.921 5.763 -8.999 744 HA LYS 94 HA LYS 94 3.259 3.568 -7.156 745 1HB LYS 94 1HB LYS 94 4.532 2.067 -8.682 746 2HB LYS 94 2HB LYS 94 2.799 2.093 -9.086 747 1HG LYS 94 1HG LYS 94 4.896 3.659 -10.581 748 2HG LYS 94 2HG LYS 94 4.527 2.030 -10.900 749 1HD LYS 94 1HD LYS 94 2.650 4.445 -11.224 750 2HD LYS 94 2HD LYS 94 3.414 3.461 -12.631 751 1HE LYS 94 1HE LYS 94 1.928 1.495 -11.882 752 2HE LYS 94 2HE LYS 94 1.170 2.476 -10.641 753 1HZ LYS 94 1HZ LYS 94 1.207 3.057 -13.595 754 2HZ LYS 94 2HZ LYS 94 0.623 3.991 -12.460 755 H THR 95 H THR 95 5.493 3.055 -6.561 756 HA THR 95 HA THR 95 7.589 4.974 -7.167 757 HB THR 95 HB THR 95 6.127 5.766 -4.621 758 HG1 THR 95 1HG THR 95 5.512 6.647 -6.801 759 1HG2 THR 95 1HG2 THR 95 8.402 6.194 -4.050 760 2HG2 THR 95 2HG2 THR 95 8.943 6.376 -5.643 761 3HG2 THR 95 3HG2 THR 95 8.153 7.683 -4.749 762 H VAL 96 H VAL 96 8.440 3.100 -7.092 763 HA VAL 96 HA VAL 96 9.063 1.303 -4.828 764 HB VAL 96 HB VAL 96 9.055 0.399 -7.008 765 1HG1 VAL 96 1HG1 VAL 96 11.488 2.197 -7.879 766 2HG1 VAL 96 2HG1 VAL 96 10.666 0.880 -8.756 767 3HG1 VAL 96 3HG1 VAL 96 9.724 2.393 -8.293 768 1HG2 VAL 96 1HG2 VAL 96 12.117 0.200 -6.069 769 2HG2 VAL 96 2HG2 VAL 96 10.697 -0.431 -5.181 770 3HG2 VAL 96 3HG2 VAL 96 11.163 -1.011 -6.964 771 H GLY 97 H GLY 97 9.642 2.496 -3.254 772 1HA GLY 97 1HA GLY 97 12.372 2.091 -2.506 773 2HA GLY 97 2HA GLY 97 12.400 3.803 -3.094 774 H ALA 98 H ALA 98 11.579 1.918 -0.379 775 HA ALA 98 HA ALA 98 9.758 3.697 1.108 776 1HB ALA 98 1HB ALA 98 9.871 1.461 1.710 777 2HB ALA 98 2HB ALA 98 11.673 1.428 1.908 778 3HB ALA 98 3HB ALA 98 10.704 2.125 3.092 779 H ASP 99 H ASP 99 10.102 5.451 2.341 780 HA ASP 99 HA ASP 99 12.766 6.290 3.183 781 1HB ASP 99 1HB ASP 99 12.784 6.939 1.018 782 2HB ASP 99 2HB ASP 99 11.158 7.736 1.156 783 HD2 ASP 99 HD ASP 99 14.531 9.363 2.818 784 H LYS 100 H LYS 100 12.383 7.244 5.181 785 HA LYS 100 HA LYS 100 9.929 7.032 6.618 786 1HB LYS 100 1HB LYS 100 10.771 8.230 8.420 787 2HB LYS 100 2HB LYS 100 11.998 7.082 7.753 788 1HG LYS 100 1HG LYS 100 13.282 9.043 6.770 789 2HG LYS 100 2HG LYS 100 12.226 10.199 7.695 790 1HD LYS 100 1HD LYS 100 13.047 9.253 9.744 791 2HD LYS 100 2HD LYS 100 13.975 8.006 8.938 792 1HE LYS 100 1HE LYS 100 15.184 10.188 7.640 793 2HE LYS 100 2HE LYS 100 14.229 11.166 8.779 794 1HZ LYS 100 1HZ LYS 100 16.067 9.049 10.041 795 2HZ LYS 100 2HZ LYS 100 16.500 10.662 9.682 796 H ASP 101 H ASP 101 11.110 10.065 5.511 797 HA ASP 101 HA ASP 101 8.652 11.550 5.976 798 1HB ASP 101 1HB ASP 101 9.643 13.597 4.910 799 2HB ASP 101 2HB ASP 101 10.719 12.854 6.040 800 HD2 ASP 101 HD ASP 101 12.146 13.158 2.450 801 H GLY 102 H GLY 102 10.062 10.250 3.155 802 1HA GLY 102 1HA GLY 102 8.737 11.403 0.889 803 2HA GLY 102 2HA GLY 102 9.515 9.951 0.949 804 H LEU 103 H LEU 103 7.824 8.493 2.756 805 HA LEU 103 HA LEU 103 5.418 7.694 1.336 806 1HB LEU 103 1HB LEU 103 6.567 6.145 2.628 807 2HB LEU 103 2HB LEU 103 6.427 7.061 4.179 808 HG LEU 103 HG LEU 103 3.944 6.598 3.994 809 1HD1 LEU 103 1HD1 LEU 103 3.280 4.713 2.365 810 2HD1 LEU 103 2HD1 LEU 103 3.295 6.318 1.711 811 3HD1 LEU 103 3HD1 LEU 103 4.627 5.153 1.402 812 1HD2 LEU 103 1HD2 LEU 103 4.337 4.660 5.170 813 2HD2 LEU 103 2HD2 LEU 103 5.035 3.810 3.937 814 3HD2 LEU 103 3HD2 LEU 103 6.005 5.012 4.919 815 HA PRO 104 HA PRO 104 2.860 10.887 4.385 816 1HB PRO 104 1HB PRO 104 5.382 12.327 5.329 817 2HB PRO 104 2HB PRO 104 3.711 12.221 5.956 818 1HG PRO 104 1HG PRO 104 5.692 10.660 6.886 819 2HG PRO 104 2HG PRO 104 4.097 9.917 6.648 820 1HD PRO 104 1HD PRO 104 6.507 9.826 4.957 821 2HD PRO 104 2HD PRO 104 5.343 8.470 5.337 822 H THR 105 H THR 105 5.775 11.981 2.562 823 HA THR 105 HA THR 105 4.726 14.541 1.739 824 HB THR 105 HB THR 105 6.863 12.942 0.327 825 HG1 THR 105 1HG THR 105 6.958 13.280 2.555 826 1HG2 THR 105 1HG2 THR 105 7.932 15.251 -0.107 827 2HG2 THR 105 2HG2 THR 105 6.391 14.835 -1.044 828 3HG2 THR 105 3HG2 THR 105 6.380 16.042 0.250 829 H LEU 106 H LEU 106 4.990 11.623 -0.099 830 HA LEU 106 HA LEU 106 3.453 12.361 -2.473 831 1HB LEU 106 1HB LEU 106 5.268 10.832 -2.753 832 2HB LEU 106 2HB LEU 106 4.730 9.815 -1.321 833 HG LEU 106 HG LEU 106 2.788 8.921 -2.772 834 1HD1 LEU 106 1HD1 LEU 106 2.739 9.169 -5.189 835 2HD1 LEU 106 2HD1 LEU 106 2.791 10.834 -4.590 836 3HD1 LEU 106 3HD1 LEU 106 4.367 10.145 -5.157 837 1HD2 LEU 106 1HD2 LEU 106 3.978 7.301 -4.187 838 2HD2 LEU 106 2HD2 LEU 106 5.511 8.173 -3.896 839 3HD2 LEU 106 3HD2 LEU 106 4.555 7.548 -2.535 840 H VAL 107 H VAL 107 2.539 10.175 0.297 841 HA VAL 107 HA VAL 107 -0.046 9.729 -0.468 842 HB VAL 107 HB VAL 107 1.084 9.876 2.385 843 1HG1 VAL 107 1HG1 VAL 107 -1.399 10.275 2.677 844 2HG1 VAL 107 2HG1 VAL 107 -1.854 8.950 1.701 845 3HG1 VAL 107 3HG1 VAL 107 -0.953 8.720 3.303 846 1HG2 VAL 107 1HG2 VAL 107 1.030 7.298 1.970 847 2HG2 VAL 107 2HG2 VAL 107 0.062 7.580 0.607 848 3HG2 VAL 107 3HG2 VAL 107 1.720 8.055 0.606 849 H ALA 108 H ALA 108 1.087 12.411 1.417 850 HA ALA 108 HA ALA 108 -1.311 13.906 2.026 851 1HB ALA 108 1HB ALA 108 0.294 15.833 2.220 852 2HB ALA 108 2HB ALA 108 0.741 14.264 3.213 853 3HB ALA 108 3HB ALA 108 1.544 14.893 1.551 854 H LYS 109 H LYS 109 0.989 14.312 -0.684 855 HA LYS 109 HA LYS 109 -0.611 15.962 -2.442 856 1HB LYS 109 1HB LYS 109 1.454 13.786 -3.408 857 2HB LYS 109 2HB LYS 109 0.735 15.036 -4.394 858 1HG LYS 109 1HG LYS 109 1.589 16.847 -3.098 859 2HG LYS 109 2HG LYS 109 2.526 15.868 -2.058 860 1HD LYS 109 1HD LYS 109 3.719 14.916 -4.025 861 2HD LYS 109 2HD LYS 109 2.934 16.078 -5.094 862 1HE LYS 109 1HE LYS 109 3.880 17.919 -3.479 863 2HE LYS 109 2HE LYS 109 4.772 16.663 -2.604 864 1HZ LYS 109 1HZ LYS 109 6.255 16.440 -4.462 865 2HZ LYS 109 2HZ LYS 109 5.183 17.014 -5.549 866 H HIS 110 H HIS 110 -0.893 12.413 -2.143 867 HA HIS 110 HA HIS 110 -2.717 11.846 -4.380 868 1HB HIS 110 1HB HIS 110 -1.232 10.111 -2.522 869 2HB HIS 110 2HB HIS 110 -2.777 9.586 -3.017 870 HD1 HIS 110 1HD HIS 110 -3.414 9.023 -5.317 871 HD2 HIS 110 2HD HIS 110 0.383 10.740 -4.957 872 HE1 HIS 110 1HE HIS 110 -2.413 9.472 -7.635 873 H ALA 111 H ALA 111 -2.978 11.624 -0.991 874 HA ALA 111 HA ALA 111 -5.885 11.389 -0.771 875 1HB ALA 111 1HB ALA 111 -5.661 11.620 1.660 876 2HB ALA 111 2HB ALA 111 -4.061 10.949 1.177 877 3HB ALA 111 3HB ALA 111 -4.302 12.704 1.540 878 H THR 112 H THR 112 -3.976 14.416 -0.438 879 HA THR 112 HA THR 112 -6.212 16.289 -0.319 880 HB THR 112 HB THR 112 -3.288 17.156 -0.812 881 HG1 THR 112 1HG THR 112 -3.633 16.124 0.986 882 1HG2 THR 112 1HG2 THR 112 -5.163 18.817 -1.589 883 2HG2 THR 112 2HG2 THR 112 -5.600 18.853 0.204 884 3HG2 THR 112 3HG2 THR 112 -3.896 19.299 -0.359 885 H ALA 113 H ALA 113 -3.823 16.487 -2.983 886 HA ALA 113 HA ALA 113 -5.784 17.370 -4.893 887 1HB ALA 113 1HB ALA 113 -2.906 16.503 -5.354 888 2HB ALA 113 2HB ALA 113 -3.948 17.067 -6.579 889 3HB ALA 113 3HB ALA 113 -3.463 18.128 -5.277 890 HXT ALA 113 HO ALA 113 -7.150 14.485 -6.146 Start of MODEL 13 1 1H ALA 1 1H ALA 1 -11.778 10.847 16.401 2 2H ALA 1 2H ALA 1 -12.741 9.831 17.213 3 HA ALA 1 HA ALA 1 -9.788 9.419 16.751 4 1HB ALA 1 1HB ALA 1 -10.183 7.117 17.659 5 2HB ALA 1 2HB ALA 1 -10.462 8.434 18.887 6 3HB ALA 1 3HB ALA 1 -11.783 7.607 18.206 7 H GLU 2 H GLU 2 -9.984 9.641 14.579 8 HA GLU 2 HA GLU 2 -11.617 7.693 12.885 9 1HB GLU 2 1HB GLU 2 -12.630 9.947 13.180 10 2HB GLU 2 2HB GLU 2 -11.275 10.749 12.265 11 1HG GLU 2 1HG GLU 2 -11.675 9.422 10.218 12 2HG GLU 2 2HG GLU 2 -12.797 8.388 10.979 13 HE2 GLU 2 HE GLU 2 -15.559 10.362 10.626 14 H GLU 3 H GLU 3 -10.131 6.567 11.940 15 HA GLU 3 HA GLU 3 -7.671 7.653 10.711 16 1HB GLU 3 1HB GLU 3 -6.039 6.632 11.978 17 2HB GLU 3 2HB GLU 3 -7.069 7.418 13.086 18 1HG GLU 3 1HG GLU 3 -8.050 5.293 13.854 19 2HG GLU 3 2HG GLU 3 -7.129 4.462 12.492 20 HE2 GLU 3 HE GLU 3 -4.223 4.415 14.328 21 H GLY 4 H GLY 4 -6.309 6.341 9.866 22 1HA GLY 4 1HA GLY 4 -7.336 4.413 7.792 23 2HA GLY 4 2HA GLY 4 -5.690 4.849 7.940 24 H GLN 5 H GLN 5 -5.912 2.340 7.562 25 HA GLN 5 HA GLN 5 -5.633 0.881 10.147 26 1HB GLN 5 1HB GLN 5 -7.614 -0.542 9.859 27 2HB GLN 5 2HB GLN 5 -8.203 1.115 9.775 28 1HG GLN 5 1HG GLN 5 -7.764 0.817 7.134 29 2HG GLN 5 2HG GLN 5 -8.058 -0.844 7.430 30 1HE2 GLN 5 1HE2 GLN 5 -9.220 2.343 7.832 31 2HE2 GLN 5 2HE2 GLN 5 -11.026 2.192 7.490 32 H VAL 6 H VAL 6 -3.762 0.153 9.672 33 HA VAL 6 HA VAL 6 -2.914 -1.200 7.200 34 HB VAL 6 HB VAL 6 -1.698 -1.139 10.076 35 1HG1 VAL 6 1HG1 VAL 6 0.526 -1.730 9.227 36 2HG1 VAL 6 2HG1 VAL 6 -0.500 -3.036 8.804 37 3HG1 VAL 6 3HG1 VAL 6 -0.035 -1.891 7.519 38 1HG2 VAL 6 1HG2 VAL 6 -1.018 0.570 7.529 39 2HG2 VAL 6 2HG2 VAL 6 -1.894 1.214 8.877 40 3HG2 VAL 6 3HG2 VAL 6 -0.143 0.720 9.115 41 H ILE 7 H ILE 7 -3.423 -3.145 6.748 42 HA ILE 7 HA ILE 7 -3.784 -5.357 8.675 43 HB ILE 7 HB ILE 7 -5.878 -4.487 7.677 44 1HG1 ILE 7 1HG1 ILE 7 -5.779 -6.431 8.827 45 2HG1 ILE 7 2HG1 ILE 7 -7.018 -6.481 7.551 46 1HG2 ILE 7 1HG2 ILE 7 -6.606 -5.200 5.544 47 2HG2 ILE 7 2HG2 ILE 7 -5.297 -4.099 5.209 48 3HG2 ILE 7 3HG2 ILE 7 -4.959 -5.866 5.072 49 1HD1 ILE 7 1HD1 ILE 7 -5.201 -8.018 6.349 50 2HD1 ILE 7 2HD1 ILE 7 -4.584 -8.119 8.005 51 3HD1 ILE 7 3HD1 ILE 7 -6.243 -8.630 7.752 52 H ALA 8 H ALA 8 -2.405 -7.161 8.312 53 HA ALA 8 HA ALA 8 -0.413 -7.458 6.168 54 1HB ALA 8 1HB ALA 8 -0.058 -9.567 7.558 55 2HB ALA 8 2HB ALA 8 -0.174 -8.123 8.533 56 3HB ALA 8 3HB ALA 8 -1.535 -9.254 8.393 57 H CYS 9 H CYS 9 -0.570 -8.672 4.571 58 HA CYS 9 HA CYS 9 -2.945 -10.159 3.498 59 1HB CYS 9 1HB CYS 9 -1.132 -8.083 2.233 60 2HB CYS 9 2HB CYS 9 -2.274 -9.039 1.290 61 HG CYS 9 HG CYS 9 -4.413 -8.372 2.504 62 H HIS 10 H HIS 10 -2.525 -12.009 2.856 63 HA HIS 10 HA HIS 10 0.203 -13.290 2.557 64 1HB HIS 10 1HB HIS 10 -2.296 -14.735 3.801 65 2HB HIS 10 2HB HIS 10 -0.639 -15.333 3.823 66 HD1 HIS 10 1HD HIS 10 -3.140 -13.169 5.706 67 HD2 HIS 10 2HD HIS 10 1.065 -13.828 5.754 68 HE1 HIS 10 1HE HIS 10 -2.078 -12.455 7.931 69 H THR 11 H THR 11 -3.108 -13.436 1.097 70 HA THR 11 HA THR 11 -2.250 -15.318 -0.993 71 HB THR 11 HB THR 11 -3.903 -16.986 -0.640 72 HG1 THR 11 1HG THR 11 -5.090 -17.104 1.122 73 1HG2 THR 11 1HG2 THR 11 -3.020 -18.247 1.156 74 2HG2 THR 11 2HG2 THR 11 -1.572 -17.255 0.590 75 3HG2 THR 11 3HG2 THR 11 -2.571 -16.794 2.054 76 H VAL 12 H VAL 12 -4.889 -15.819 -1.823 77 HA VAL 12 HA VAL 12 -5.782 -13.436 -3.449 78 HB VAL 12 HB VAL 12 -5.597 -15.733 -4.454 79 1HG1 VAL 12 1HG1 VAL 12 -7.957 -16.673 -2.663 80 2HG1 VAL 12 2HG1 VAL 12 -7.254 -17.481 -4.112 81 3HG1 VAL 12 3HG1 VAL 12 -6.376 -17.178 -2.456 82 1HG2 VAL 12 1HG2 VAL 12 -8.556 -14.602 -4.257 83 2HG2 VAL 12 2HG2 VAL 12 -7.202 -14.045 -5.410 84 3HG2 VAL 12 3HG2 VAL 12 -8.052 -15.669 -5.591 85 H ASP 13 H ASP 13 -6.514 -14.568 -0.386 86 HA ASP 13 HA ASP 13 -9.101 -13.319 0.022 87 1HB ASP 13 1HB ASP 13 -6.614 -14.075 1.931 88 2HB ASP 13 2HB ASP 13 -7.934 -13.068 2.534 89 HD2 ASP 13 HD ASP 13 -9.806 -13.723 2.973 90 H THR 14 H THR 14 -5.551 -11.942 0.404 91 HA THR 14 HA THR 14 -6.389 -9.317 0.669 92 HB THR 14 HB THR 14 -4.039 -10.205 0.489 93 HG1 THR 14 1HG THR 14 -5.036 -8.107 0.710 94 1HG2 THR 14 1HG2 THR 14 -4.141 -9.012 -2.312 95 2HG2 THR 14 2HG2 THR 14 -2.708 -9.547 -1.468 96 3HG2 THR 14 3HG2 THR 14 -3.865 -10.776 -2.184 97 H TRP 15 H TRP 15 -6.440 -11.149 -2.432 98 HA TRP 15 HA TRP 15 -7.296 -8.997 -4.223 99 1HB TRP 15 1HB TRP 15 -7.830 -12.033 -4.497 100 2HB TRP 15 2HB TRP 15 -8.841 -10.986 -5.396 101 HD1 TRP 15 HD TRP 15 -5.336 -12.435 -5.482 102 HE1 TRP 15 1HE TRP 15 -4.006 -11.694 -7.598 103 HE3 TRP 15 3HE TRP 15 -8.739 -8.937 -7.096 104 HZ2 TRP 15 2HZ TRP 15 -4.753 -9.945 -9.966 105 HZ3 TRP 15 3HZ TRP 15 -8.418 -7.930 -9.168 106 HH2 TRP 15 HH TRP 15 -6.615 -8.406 -10.687 107 H LYS 16 H LYS 16 -9.301 -11.127 -2.256 108 HA LYS 16 HA LYS 16 -11.806 -9.576 -2.748 109 1HB LYS 16 1HB LYS 16 -11.274 -11.061 -0.212 110 2HB LYS 16 2HB LYS 16 -12.930 -10.671 -0.734 111 1HG LYS 16 1HG LYS 16 -12.667 -12.059 -2.790 112 2HG LYS 16 2HG LYS 16 -11.112 -12.753 -2.006 113 1HD LYS 16 1HD LYS 16 -13.912 -12.996 -0.811 114 2HD LYS 16 2HD LYS 16 -13.100 -14.220 -1.821 115 1HE LYS 16 1HE LYS 16 -11.106 -14.223 -0.034 116 2HE LYS 16 2HE LYS 16 -12.238 -13.128 0.906 117 1HZ LYS 16 1HZ LYS 16 -12.427 -15.350 1.537 118 2HZ LYS 16 2HZ LYS 16 -13.797 -14.881 0.963 119 H GLU 17 H GLU 17 -9.338 -8.935 -0.478 120 HA GLU 17 HA GLU 17 -10.701 -6.708 0.990 121 1HB GLU 17 1HB GLU 17 -7.838 -7.714 1.086 122 2HB GLU 17 2HB GLU 17 -8.249 -6.054 1.631 123 1HG GLU 17 1HG GLU 17 -9.951 -7.092 3.288 124 2HG GLU 17 2HG GLU 17 -9.658 -8.692 2.614 125 HE2 GLU 17 HE GLU 17 -7.461 -7.790 5.519 126 H HIS 18 H HIS 18 -8.009 -6.574 -1.320 127 HA HIS 18 HA HIS 18 -7.709 -3.724 -1.479 128 1HB HIS 18 1HB HIS 18 -5.831 -5.230 -1.778 129 2HB HIS 18 2HB HIS 18 -6.693 -6.187 -2.892 130 HD1 HIS 18 1HD HIS 18 -7.098 -5.144 -5.515 131 HD2 HIS 18 2HD HIS 18 -3.977 -3.678 -2.949 132 HE1 HIS 18 1HE HIS 18 -5.360 -3.950 -6.917 133 H PHE 19 H PHE 19 -8.919 -5.673 -4.025 134 HA PHE 19 HA PHE 19 -9.548 -3.660 -5.730 135 1HB PHE 19 1HB PHE 19 -9.422 -6.253 -6.144 136 2HB PHE 19 2HB PHE 19 -11.133 -6.052 -6.507 137 HD1 PHE 19 1HD PHE 19 -11.926 -4.449 -8.321 138 HD2 PHE 19 2HD PHE 19 -7.671 -5.231 -7.640 139 HE1 PHE 19 1HE PHE 19 -11.371 -3.724 -10.593 140 HE2 PHE 19 2HE PHE 19 -7.168 -4.446 -9.782 141 HZ PHE 19 HZ PHE 19 -9.029 -3.733 -11.359 142 H GLU 20 H GLU 20 -11.646 -5.534 -3.779 143 HA GLU 20 HA GLU 20 -14.309 -4.329 -4.173 144 1HB GLU 20 1HB GLU 20 -13.220 -5.578 -1.685 145 2HB GLU 20 2HB GLU 20 -14.858 -5.169 -1.899 146 1HG GLU 20 1HG GLU 20 -13.336 -7.342 -3.440 147 2HG GLU 20 2HG GLU 20 -14.388 -7.542 -2.155 148 HE2 GLU 20 HE GLU 20 -17.381 -7.175 -3.707 149 H LYS 21 H LYS 21 -12.069 -3.619 -1.407 150 HA LYS 21 HA LYS 21 -13.355 -1.250 -0.631 151 1HB LYS 21 1HB LYS 21 -10.324 -1.946 -0.336 152 2HB LYS 21 2HB LYS 21 -11.061 -0.602 0.316 153 1HG LYS 21 1HG LYS 21 -12.124 -3.455 0.930 154 2HG LYS 21 2HG LYS 21 -10.623 -2.777 1.709 155 1HD LYS 21 1HD LYS 21 -11.994 -0.860 2.508 156 2HD LYS 21 2HD LYS 21 -13.448 -1.465 1.799 157 1HE LYS 21 1HE LYS 21 -13.731 -2.243 3.936 158 2HE LYS 21 2HE LYS 21 -12.896 -3.662 3.369 159 1HZ LYS 21 1HZ LYS 21 -11.594 -1.405 4.733 160 2HZ LYS 21 2HZ LYS 21 -11.915 -2.868 5.445 161 H GLY 22 H GLY 22 -10.468 -1.373 -2.819 162 1HA GLY 22 1HA GLY 22 -10.128 1.284 -3.593 163 2HA GLY 22 2HA GLY 22 -9.786 -0.065 -4.568 164 H LYS 23 H LYS 23 -11.381 -0.839 -5.902 165 HA LYS 23 HA LYS 23 -13.311 1.153 -6.939 166 1HB LYS 23 1HB LYS 23 -11.787 -0.067 -8.457 167 2HB LYS 23 2HB LYS 23 -12.811 -1.480 -8.147 168 1HG LYS 23 1HG LYS 23 -14.767 0.441 -8.777 169 2HG LYS 23 2HG LYS 23 -13.380 1.207 -9.459 170 1HD LYS 23 1HD LYS 23 -14.161 -1.632 -10.052 171 2HD LYS 23 2HD LYS 23 -15.073 -0.435 -10.977 172 1HE LYS 23 1HE LYS 23 -11.967 -0.489 -10.968 173 2HE LYS 23 2HE LYS 23 -12.804 -1.547 -12.012 174 1HZ LYS 23 1HZ LYS 23 -13.632 0.404 -13.218 175 2HZ LYS 23 2HZ LYS 23 -13.460 1.250 -11.871 176 H GLY 24 H GLY 24 -14.570 1.172 -5.474 177 1HA GLY 24 1HA GLY 24 -16.958 0.086 -5.615 178 2HA GLY 24 2HA GLY 24 -16.410 -0.926 -4.380 179 H SER 25 H SER 25 -14.860 1.405 -3.458 180 HA SER 25 HA SER 25 -16.876 2.792 -1.770 181 1HB SER 25 1HB SER 25 -14.175 1.759 -0.801 182 2HB SER 25 2HB SER 25 -15.272 2.690 0.163 183 HG SER 25 HG SER 25 -15.856 0.286 -1.161 184 H GLN 26 H GLN 26 -16.674 4.854 -1.844 185 HA GLN 26 HA GLN 26 -14.738 6.442 -3.258 186 1HB GLN 26 1HB GLN 26 -16.838 7.172 -1.108 187 2HB GLN 26 2HB GLN 26 -15.901 8.421 -1.977 188 1HG GLN 26 1HG GLN 26 -17.993 8.309 -3.162 189 2HG GLN 26 2HG GLN 26 -16.833 7.672 -4.160 190 1HE2 GLN 26 1HE2 GLN 26 -17.515 5.961 -5.156 191 2HE2 GLN 26 2HE2 GLN 26 -18.555 4.647 -4.354 192 H LYS 27 H LYS 27 -12.763 5.340 -2.259 193 HA LYS 27 HA LYS 27 -11.573 7.088 -0.249 194 1HB LYS 27 1HB LYS 27 -10.632 5.165 1.114 195 2HB LYS 27 2HB LYS 27 -12.345 5.441 1.253 196 1HG LYS 27 1HG LYS 27 -12.963 3.627 -0.101 197 2HG LYS 27 2HG LYS 27 -11.338 3.313 -0.586 198 1HD LYS 27 1HD LYS 27 -11.893 1.640 1.118 199 2HD LYS 27 2HD LYS 27 -10.816 2.824 1.978 200 1HE LYS 27 1HE LYS 27 -12.866 3.993 2.827 201 2HE LYS 27 2HE LYS 27 -13.912 2.805 1.961 202 1HZ LYS 27 1HZ LYS 27 -12.197 2.179 4.151 203 2HZ LYS 27 2HZ LYS 27 -13.806 2.040 4.019 204 H LEU 28 H LEU 28 -9.427 7.066 -0.497 205 HA LEU 28 HA LEU 28 -7.937 5.536 -2.606 206 1HB LEU 28 1HB LEU 28 -7.564 8.003 -1.532 207 2HB LEU 28 2HB LEU 28 -6.848 6.938 -0.158 208 HG LEU 28 HG LEU 28 -5.067 6.265 -1.845 209 1HD1 LEU 28 1HD1 LEU 28 -4.795 7.557 -3.973 210 2HD1 LEU 28 2HD1 LEU 28 -6.318 6.837 -4.057 211 3HD1 LEU 28 3HD1 LEU 28 -6.149 8.558 -3.623 212 1HD2 LEU 28 1HD2 LEU 28 -4.634 8.482 -0.266 213 2HD2 LEU 28 2HD2 LEU 28 -3.833 8.708 -1.761 214 3HD2 LEU 28 3HD2 LEU 28 -5.369 9.365 -1.545 215 H ILE 29 H ILE 29 -6.599 3.821 -2.312 216 HA ILE 29 HA ILE 29 -6.308 2.308 0.190 217 HB ILE 29 HB ILE 29 -6.773 0.124 -0.312 218 1HG1 ILE 29 1HG1 ILE 29 -8.157 -0.305 -2.633 219 2HG1 ILE 29 2HG1 ILE 29 -6.940 0.846 -3.166 220 1HG2 ILE 29 1HG2 ILE 29 -9.247 0.354 -0.375 221 2HG2 ILE 29 2HG2 ILE 29 -8.597 1.767 0.454 222 3HG2 ILE 29 3HG2 ILE 29 -9.260 1.918 -1.134 223 1HD1 ILE 29 1HD1 ILE 29 -6.412 -1.495 -3.485 224 2HD1 ILE 29 2HD1 ILE 29 -5.219 -0.625 -2.522 225 3HD1 ILE 29 3HD1 ILE 29 -6.489 -1.665 -1.722 226 H VAL 30 H VAL 30 -4.401 1.731 0.416 227 HA VAL 30 HA VAL 30 -2.123 2.025 -1.533 228 HB VAL 30 HB VAL 30 -2.285 3.341 1.211 229 1HG1 VAL 30 1HG1 VAL 30 0.118 3.600 -0.756 230 2HG1 VAL 30 2HG1 VAL 30 -0.162 4.427 0.798 231 3HG1 VAL 30 3HG1 VAL 30 0.073 2.612 0.800 232 1HG2 VAL 30 1HG2 VAL 30 -2.263 5.513 0.055 233 2HG2 VAL 30 2HG2 VAL 30 -1.870 4.736 -1.571 234 3HG2 VAL 30 3HG2 VAL 30 -3.445 4.510 -0.815 235 H VAL 31 H VAL 31 -1.025 0.585 -1.629 236 HA VAL 31 HA VAL 31 -0.575 -1.573 0.338 237 HB VAL 31 HB VAL 31 -2.189 -2.029 -1.152 238 1HG1 VAL 31 1HG1 VAL 31 -1.981 -0.628 -2.999 239 2HG1 VAL 31 2HG1 VAL 31 -0.590 -1.407 -3.546 240 3HG1 VAL 31 3HG1 VAL 31 -2.179 -2.383 -3.453 241 1HG2 VAL 31 1HG2 VAL 31 -1.250 -4.287 -2.287 242 2HG2 VAL 31 2HG2 VAL 31 0.363 -3.737 -1.584 243 3HG2 VAL 31 3HG2 VAL 31 -1.044 -4.079 -0.545 244 H ASP 32 H ASP 32 1.447 -1.568 1.138 245 HA ASP 32 HA ASP 32 3.999 -1.433 -0.466 246 1HB ASP 32 1HB ASP 32 3.905 -1.028 2.188 247 2HB ASP 32 2HB ASP 32 3.986 -2.774 2.393 248 HD2 ASP 32 HD ASP 32 7.309 -1.598 0.718 249 H PHE 33 H PHE 33 5.162 -2.898 -1.228 250 HA PHE 33 HA PHE 33 4.540 -5.844 -1.117 251 1HB PHE 33 1HB PHE 33 5.244 -3.929 -3.638 252 2HB PHE 33 2HB PHE 33 5.230 -5.647 -3.738 253 HD1 PHE 33 1HD PHE 33 3.274 -7.218 -3.806 254 HD2 PHE 33 2HD PHE 33 2.849 -2.741 -3.755 255 HE1 PHE 33 1HE PHE 33 0.950 -7.359 -4.343 256 HE2 PHE 33 2HE PHE 33 0.545 -3.056 -4.496 257 HZ PHE 33 HZ PHE 33 -0.496 -5.391 -4.577 258 H THR 34 H THR 34 6.281 -6.624 -0.107 259 HA THR 34 HA THR 34 8.915 -5.696 -0.502 260 HB THR 34 HB THR 34 7.930 -3.882 1.045 261 HG1 THR 34 1HG THR 34 10.293 -5.552 1.370 262 1HG2 THR 34 1HG2 THR 34 6.559 -5.370 2.457 263 2HG2 THR 34 2HG2 THR 34 7.939 -5.915 3.328 264 3HG2 THR 34 3HG2 THR 34 7.578 -4.062 3.280 265 H ALA 35 H ALA 35 10.149 -7.251 0.254 266 HA ALA 35 HA ALA 35 9.177 -9.663 1.622 267 1HB ALA 35 1HB ALA 35 11.224 -9.410 -0.014 268 2HB ALA 35 2HB ALA 35 11.998 -8.300 1.109 269 3HB ALA 35 3HB ALA 35 11.717 -9.931 1.600 270 H SER 36 H SER 36 9.090 -10.239 3.488 271 HA SER 36 HA SER 36 9.189 -8.676 5.946 272 1HB SER 36 1HB SER 36 7.832 -10.693 5.712 273 2HB SER 36 2HB SER 36 9.201 -11.720 5.628 274 HG SER 36 HG SER 36 8.747 -9.914 7.729 275 H TRP 37 H TRP 37 11.620 -10.829 4.687 276 HA TRP 37 HA TRP 37 13.961 -9.868 6.234 277 1HB TRP 37 1HB TRP 37 15.313 -10.752 4.550 278 2HB TRP 37 2HB TRP 37 14.058 -11.957 5.112 279 HD1 TRP 37 HD TRP 37 11.765 -12.125 3.507 280 HE1 TRP 37 1HE TRP 37 11.603 -12.801 1.014 281 HE3 TRP 37 3HE TRP 37 16.451 -10.732 2.310 282 HZ2 TRP 37 2HZ TRP 37 13.527 -12.837 -1.154 283 HZ3 TRP 37 3HZ TRP 37 17.322 -11.277 -0.112 284 HH2 TRP 37 HH TRP 37 15.666 -12.316 -1.716 285 H CYS 38 H CYS 38 13.690 -7.577 6.147 286 HA CYS 38 HA CYS 38 15.080 -6.079 4.077 287 1HB CYS 38 1HB CYS 38 13.157 -6.179 2.569 288 2HB CYS 38 2HB CYS 38 12.150 -5.709 3.983 289 HG CYS 38 HG CYS 38 14.471 -3.899 2.342 290 HA PRO 39 HA PRO 39 14.892 -4.033 8.423 291 1HB PRO 39 1HB PRO 39 17.414 -2.982 7.215 292 2HB PRO 39 2HB PRO 39 17.140 -3.448 8.900 293 1HG PRO 39 1HG PRO 39 18.458 -5.040 7.332 294 2HG PRO 39 2HG PRO 39 17.229 -5.835 8.376 295 1HD PRO 39 1HD PRO 39 17.134 -5.063 5.492 296 2HD PRO 39 2HD PRO 39 16.524 -6.605 6.131 297 HA PRO 40 HA PRO 40 14.654 0.363 6.141 298 1HB PRO 40 1HB PRO 40 14.137 -0.497 3.311 299 2HB PRO 40 2HB PRO 40 15.059 0.955 3.833 300 1HG PRO 40 1HG PRO 40 16.475 -1.179 2.798 301 2HG PRO 40 2HG PRO 40 17.031 -0.108 4.196 302 1HD PRO 40 1HD PRO 40 15.695 -2.935 4.288 303 2HD PRO 40 2HD PRO 40 17.052 -2.367 5.269 304 H CYS 41 H CYS 41 12.912 -2.232 4.795 305 HA CYS 41 HA CYS 41 10.314 -1.030 5.291 306 1HB CYS 41 1HB CYS 41 10.557 -3.801 4.088 307 2HB CYS 41 2HB CYS 41 9.094 -3.027 4.549 308 HG CYS 41 HG CYS 41 8.695 -1.592 2.690 309 H LYS 42 H LYS 42 12.043 -3.417 7.088 310 HA LYS 42 HA LYS 42 10.156 -3.614 9.174 311 1HB LYS 42 1HB LYS 42 12.377 -4.852 8.993 312 2HB LYS 42 2HB LYS 42 13.090 -3.302 9.623 313 1HG LYS 42 1HG LYS 42 12.059 -3.732 11.761 314 2HG LYS 42 2HG LYS 42 10.903 -4.910 11.202 315 1HD LYS 42 1HD LYS 42 12.757 -6.549 10.816 316 2HD LYS 42 2HD LYS 42 13.982 -5.474 11.323 317 1HE LYS 42 1HE LYS 42 13.263 -7.346 12.968 318 2HE LYS 42 2HE LYS 42 13.045 -5.691 13.729 319 1HZ LYS 42 1HZ LYS 42 11.064 -6.890 14.110 320 2HZ LYS 42 2HZ LYS 42 10.715 -5.859 12.795 321 H MET 43 H MET 43 12.444 -0.989 9.025 322 HA MET 43 HA MET 43 11.002 0.611 11.152 323 1HB MET 43 1HB MET 43 12.391 2.659 10.511 324 2HB MET 43 2HB MET 43 13.269 1.304 10.814 325 1HG MET 43 1HG MET 43 13.671 1.076 8.159 326 2HG MET 43 2HG MET 43 12.794 2.583 7.927 327 1HE MET 43 1HE MET 43 13.091 4.698 9.351 328 2HE MET 43 2HE MET 43 14.722 5.233 9.729 329 3HE MET 43 3HE MET 43 14.274 5.016 8.019 330 H ILE 44 H ILE 44 10.725 0.689 7.479 331 HA ILE 44 HA ILE 44 8.615 2.505 7.422 332 HB ILE 44 HB ILE 44 9.988 1.403 5.406 333 1HG1 ILE 44 1HG1 ILE 44 8.574 2.766 3.801 334 2HG1 ILE 44 2HG1 ILE 44 7.491 3.058 5.077 335 1HG2 ILE 44 1HG2 ILE 44 7.215 0.468 4.612 336 2HG2 ILE 44 2HG2 ILE 44 8.863 0.080 3.985 337 3HG2 ILE 44 3HG2 ILE 44 8.274 -0.583 5.552 338 1HD1 ILE 44 1HD1 ILE 44 10.447 3.930 5.065 339 2HD1 ILE 44 2HD1 ILE 44 9.029 4.869 4.793 340 3HD1 ILE 44 3HD1 ILE 44 9.331 4.303 6.373 341 H ALA 45 H ALA 45 7.890 -0.905 8.025 342 HA ALA 45 HA ALA 45 5.189 -0.615 8.178 343 1HB ALA 45 1HB ALA 45 6.744 -2.246 10.280 344 2HB ALA 45 2HB ALA 45 4.925 -2.439 9.756 345 3HB ALA 45 3HB ALA 45 6.307 -2.772 8.650 346 HA PRO 46 HA PRO 46 4.820 1.633 12.562 347 1HB PRO 46 1HB PRO 46 7.722 2.545 12.826 348 2HB PRO 46 2HB PRO 46 6.461 2.234 14.085 349 1HG PRO 46 1HG PRO 46 8.488 0.368 13.416 350 2HG PRO 46 2HG PRO 46 6.804 -0.142 13.921 351 1HD PRO 46 1HD PRO 46 8.011 -0.211 11.063 352 2HD PRO 46 2HD PRO 46 6.892 -1.233 11.956 353 H ILE 47 H ILE 47 7.102 2.955 10.011 354 HA ILE 47 HA ILE 47 5.722 5.625 9.990 355 HB ILE 47 HB ILE 47 7.393 4.335 7.786 356 1HG1 ILE 47 1HG1 ILE 47 8.730 4.859 9.629 357 2HG1 ILE 47 2HG1 ILE 47 9.123 5.824 8.171 358 1HG2 ILE 47 1HG2 ILE 47 5.776 5.981 6.670 359 2HG2 ILE 47 2HG2 ILE 47 6.155 7.290 7.772 360 3HG2 ILE 47 3HG2 ILE 47 7.375 6.737 6.619 361 1HD1 ILE 47 1HD1 ILE 47 9.152 7.206 10.204 362 2HD1 ILE 47 2HD1 ILE 47 8.002 7.826 9.160 363 3HD1 ILE 47 3HD1 ILE 47 7.518 6.787 10.596 364 H PHE 48 H PHE 48 5.054 2.852 7.865 365 HA PHE 48 HA PHE 48 2.515 3.729 6.681 366 1HB PHE 48 1HB PHE 48 4.002 1.263 6.733 367 2HB PHE 48 2HB PHE 48 2.755 0.836 7.782 368 HD1 PHE 48 1HD PHE 48 1.217 -0.578 6.642 369 HD2 PHE 48 2HD PHE 48 3.109 2.628 4.317 370 HE1 PHE 48 1HE PHE 48 -0.051 -1.168 4.659 371 HE2 PHE 48 2HE PHE 48 1.585 2.020 2.530 372 HZ PHE 48 HZ PHE 48 0.124 0.056 2.677 373 H ALA 49 H ALA 49 2.753 2.320 9.865 374 HA ALA 49 HA ALA 49 -0.136 2.602 10.543 375 1HB ALA 49 1HB ALA 49 1.294 0.840 11.480 376 2HB ALA 49 2HB ALA 49 2.345 2.073 12.230 377 3HB ALA 49 3HB ALA 49 0.677 1.881 12.748 378 H GLU 50 H GLU 50 2.868 4.849 11.360 379 HA GLU 50 HA GLU 50 1.340 6.785 12.781 380 1HB GLU 50 1HB GLU 50 3.926 6.307 12.737 381 2HB GLU 50 2HB GLU 50 3.970 7.005 11.110 382 1HG GLU 50 1HG GLU 50 2.867 9.108 12.344 383 2HG GLU 50 2HG GLU 50 3.235 8.279 13.936 384 HE2 GLU 50 HE GLU 50 6.438 9.250 11.588 385 H LEU 51 H LEU 51 2.085 6.559 9.439 386 HA LEU 51 HA LEU 51 0.762 9.088 8.433 387 1HB LEU 51 1HB LEU 51 2.774 8.239 7.556 388 2HB LEU 51 2HB LEU 51 2.229 6.602 7.404 389 HG LEU 51 HG LEU 51 2.545 8.047 5.374 390 1HD1 LEU 51 1HD1 LEU 51 -0.130 6.435 5.751 391 2HD1 LEU 51 2HD1 LEU 51 0.344 7.008 4.247 392 3HD1 LEU 51 3HD1 LEU 51 1.424 5.932 5.176 393 1HD2 LEU 51 1HD2 LEU 51 1.321 10.123 6.263 394 2HD2 LEU 51 2HD2 LEU 51 0.761 9.638 4.633 395 3HD2 LEU 51 3HD2 LEU 51 -0.200 9.274 6.045 396 H ALA 52 H ALA 52 -0.397 5.712 8.949 397 HA ALA 52 HA ALA 52 -3.073 6.119 7.906 398 1HB ALA 52 1HB ALA 52 -2.361 3.878 8.364 399 2HB ALA 52 2HB ALA 52 -2.141 4.149 10.085 400 3HB ALA 52 3HB ALA 52 -3.714 4.232 9.379 401 H LYS 53 H LYS 53 -1.633 6.718 11.008 402 HA LYS 53 HA LYS 53 -4.021 7.737 12.267 403 1HB LYS 53 1HB LYS 53 -1.001 8.037 13.085 404 2HB LYS 53 2HB LYS 53 -2.370 8.563 14.037 405 1HG LYS 53 1HG LYS 53 -3.379 6.504 14.392 406 2HG LYS 53 2HG LYS 53 -2.356 5.672 13.228 407 1HD LYS 53 1HD LYS 53 -0.310 6.264 14.789 408 2HD LYS 53 2HD LYS 53 -1.489 6.839 15.993 409 1HE LYS 53 1HE LYS 53 -2.553 4.440 15.719 410 2HE LYS 53 2HE LYS 53 -1.125 4.064 14.743 411 1HZ LYS 53 1HZ LYS 53 0.182 4.868 16.722 412 2HZ LYS 53 2HZ LYS 53 -1.121 4.632 17.675 413 H LYS 54 H LYS 54 -1.646 9.331 10.107 414 HA LYS 54 HA LYS 54 -2.417 12.099 10.802 415 1HB LYS 54 1HB LYS 54 -0.079 11.506 10.336 416 2HB LYS 54 2HB LYS 54 -0.470 10.886 8.704 417 1HG LYS 54 1HG LYS 54 -1.063 13.192 7.988 418 2HG LYS 54 2HG LYS 54 -0.789 13.718 9.663 419 1HD LYS 54 1HD LYS 54 1.319 12.524 7.808 420 2HD LYS 54 2HD LYS 54 1.038 14.253 7.946 421 1HE LYS 54 1HE LYS 54 1.777 14.062 10.428 422 2HE LYS 54 2HE LYS 54 2.152 12.394 10.123 423 1HZ LYS 54 1HZ LYS 54 3.770 14.436 9.767 424 2HZ LYS 54 2HZ LYS 54 3.983 13.058 8.924 425 H PHE 55 H PHE 55 -3.262 9.623 8.616 426 HA PHE 55 HA PHE 55 -4.994 11.371 6.892 427 1HB PHE 55 1HB PHE 55 -2.626 9.548 6.255 428 2HB PHE 55 2HB PHE 55 -4.016 9.655 5.108 429 HD1 PHE 55 1HD PHE 55 -0.955 11.463 6.147 430 HD2 PHE 55 2HD PHE 55 -4.928 11.956 4.517 431 HE1 PHE 55 1HE PHE 55 -0.365 13.668 5.273 432 HE2 PHE 55 2HE PHE 55 -4.256 14.134 3.512 433 HZ PHE 55 HZ PHE 55 -1.876 14.926 3.863 434 HA PRO 56 HA PRO 56 -8.128 7.983 7.980 435 1HB PRO 56 1HB PRO 56 -10.104 9.330 8.736 436 2HB PRO 56 2HB PRO 56 -8.607 9.290 9.755 437 1HG PRO 56 1HG PRO 56 -9.249 11.551 7.872 438 2HG PRO 56 2HG PRO 56 -8.634 11.662 9.564 439 1HD PRO 56 1HD PRO 56 -6.870 11.827 7.527 440 2HD PRO 56 2HD PRO 56 -6.563 11.066 8.975 441 H ASN 57 H ASN 57 -8.082 9.454 5.043 442 HA ASN 57 HA ASN 57 -10.814 8.766 4.093 443 1HB ASN 57 1HB ASN 57 -10.401 10.067 2.077 444 2HB ASN 57 2HB ASN 57 -10.056 11.084 3.430 445 1HD2 ASN 57 2HD2 ASN 57 -7.773 11.557 3.797 446 2HD2 ASN 57 1HD2 ASN 57 -6.630 11.666 2.354 447 H VAL 58 H VAL 58 -8.014 7.176 4.748 448 HA VAL 58 HA VAL 58 -7.926 5.763 2.189 449 HB VAL 58 HB VAL 58 -6.627 7.624 1.957 450 1HG1 VAL 58 1HG1 VAL 58 -4.994 7.072 4.446 451 2HG1 VAL 58 2HG1 VAL 58 -4.816 8.538 3.259 452 3HG1 VAL 58 3HG1 VAL 58 -6.299 8.381 4.267 453 1HG2 VAL 58 1HG2 VAL 58 -5.542 5.362 1.292 454 2HG2 VAL 58 2HG2 VAL 58 -4.387 6.699 1.502 455 3HG2 VAL 58 3HG2 VAL 58 -4.565 5.526 2.724 456 H THR 59 H THR 59 -8.208 3.683 2.635 457 HA THR 59 HA THR 59 -7.269 2.099 5.030 458 HB THR 59 HB THR 59 -8.543 1.285 2.351 459 HG1 THR 59 1HG THR 59 -9.596 2.108 4.637 460 1HG2 THR 59 1HG2 THR 59 -7.688 -0.768 4.287 461 2HG2 THR 59 2HG2 THR 59 -8.961 -0.942 3.091 462 3HG2 THR 59 3HG2 THR 59 -7.270 -0.526 2.556 463 H PHE 60 H PHE 60 -5.699 0.708 5.076 464 HA PHE 60 HA PHE 60 -3.454 0.624 3.073 465 1HB PHE 60 1HB PHE 60 -3.314 0.987 6.141 466 2HB PHE 60 2HB PHE 60 -1.836 0.761 5.199 467 HD1 PHE 60 1HD PHE 60 -1.141 2.465 3.453 468 HD2 PHE 60 2HD PHE 60 -4.184 3.220 6.358 469 HE1 PHE 60 1HE PHE 60 -0.712 4.842 3.202 470 HE2 PHE 60 2HE PHE 60 -3.855 5.647 6.090 471 HZ PHE 60 HZ PHE 60 -2.244 6.554 4.422 472 H LEU 61 H LEU 61 -2.574 -1.276 2.585 473 HA LEU 61 HA LEU 61 -2.574 -3.400 4.463 474 1HB LEU 61 1HB LEU 61 -3.632 -4.888 3.008 475 2HB LEU 61 2HB LEU 61 -4.525 -3.486 3.084 476 HG LEU 61 HG LEU 61 -3.157 -2.960 0.739 477 1HD1 LEU 61 1HD1 LEU 61 -3.673 -6.019 0.867 478 2HD1 LEU 61 2HD1 LEU 61 -3.015 -5.254 -0.650 479 3HD1 LEU 61 3HD1 LEU 61 -2.041 -5.445 0.847 480 1HD2 LEU 61 1HD2 LEU 61 -5.498 -2.732 0.942 481 2HD2 LEU 61 2HD2 LEU 61 -4.971 -3.700 -0.581 482 3HD2 LEU 61 3HD2 LEU 61 -5.768 -4.497 0.810 483 H LYS 62 H LYS 62 -1.276 -5.150 3.643 484 HA LYS 62 HA LYS 62 1.322 -4.457 2.305 485 1HB LYS 62 1HB LYS 62 2.914 -4.742 4.017 486 2HB LYS 62 2HB LYS 62 1.737 -3.461 4.306 487 1HG LYS 62 1HG LYS 62 0.424 -5.060 6.029 488 2HG LYS 62 2HG LYS 62 1.732 -6.251 5.820 489 1HD LYS 62 1HD LYS 62 1.979 -3.327 6.597 490 2HD LYS 62 2HD LYS 62 1.945 -4.581 7.886 491 1HE LYS 62 1HE LYS 62 4.333 -3.774 6.179 492 2HE LYS 62 2HE LYS 62 4.208 -4.064 7.887 493 1HZ LYS 62 1HZ LYS 62 4.099 -6.358 5.989 494 2HZ LYS 62 2HZ LYS 62 3.939 -6.411 7.548 495 H VAL 63 H VAL 63 1.884 -5.918 1.043 496 HA VAL 63 HA VAL 63 1.102 -8.736 1.279 497 HB VAL 63 HB VAL 63 1.914 -6.982 -1.162 498 1HG1 VAL 63 1HG1 VAL 63 2.079 -10.054 -0.923 499 2HG1 VAL 63 2HG1 VAL 63 1.260 -9.280 -2.485 500 3HG1 VAL 63 3HG1 VAL 63 2.895 -8.901 -2.009 501 1HG2 VAL 63 1HG2 VAL 63 -0.501 -8.795 -0.615 502 2HG2 VAL 63 2HG2 VAL 63 -0.521 -7.023 -0.201 503 3HG2 VAL 63 3HG2 VAL 63 -0.313 -7.528 -1.870 504 H ASP 64 H ASP 64 2.418 -10.164 1.893 505 HA ASP 64 HA ASP 64 5.353 -9.876 2.104 506 1HB ASP 64 1HB ASP 64 4.158 -11.464 3.695 507 2HB ASP 64 2HB ASP 64 3.399 -12.273 2.289 508 HD2 ASP 64 HD ASP 64 6.979 -13.341 3.698 509 H VAL 65 H VAL 65 6.012 -9.468 0.001 510 HA VAL 65 HA VAL 65 5.033 -10.519 -2.393 511 HB VAL 65 HB VAL 65 6.713 -8.654 -1.886 512 1HG1 VAL 65 1HG1 VAL 65 8.582 -10.135 -1.094 513 2HG1 VAL 65 2HG1 VAL 65 8.709 -10.934 -2.597 514 3HG1 VAL 65 3HG1 VAL 65 9.177 -9.158 -2.503 515 1HG2 VAL 65 1HG2 VAL 65 7.085 -10.062 -4.705 516 2HG2 VAL 65 2HG2 VAL 65 5.616 -9.098 -4.198 517 3HG2 VAL 65 3HG2 VAL 65 7.334 -8.448 -4.281 518 H ASP 66 H ASP 66 7.016 -12.442 -0.483 519 HA ASP 66 HA ASP 66 7.862 -14.303 -2.498 520 1HB ASP 66 1HB ASP 66 7.893 -14.581 0.589 521 2HB ASP 66 2HB ASP 66 8.288 -15.990 -0.391 522 HD2 ASP 66 HD ASP 66 11.468 -14.803 -1.046 523 H GLU 67 H GLU 67 5.157 -14.756 -0.049 524 HA GLU 67 HA GLU 67 3.614 -16.612 -1.454 525 1HB GLU 67 1HB GLU 67 2.916 -14.293 0.462 526 2HB GLU 67 2HB GLU 67 1.646 -15.271 -0.244 527 1HG GLU 67 1HG GLU 67 2.928 -17.458 0.585 528 2HG GLU 67 2HG GLU 67 3.917 -16.398 1.435 529 HE2 GLU 67 HE GLU 67 0.380 -17.232 2.860 530 H LEU 68 H LEU 68 4.075 -13.270 -2.874 531 HA LEU 68 HA LEU 68 1.980 -13.847 -4.776 532 1HB LEU 68 1HB LEU 68 1.566 -11.459 -2.910 533 2HB LEU 68 2HB LEU 68 0.466 -11.609 -4.261 534 HG LEU 68 HG LEU 68 0.652 -13.528 -1.893 535 1HD1 LEU 68 1HD1 LEU 68 -1.515 -12.455 -1.121 536 2HD1 LEU 68 2HD1 LEU 68 -0.141 -11.319 -1.038 537 3HD1 LEU 68 3HD1 LEU 68 -1.252 -11.165 -2.447 538 1HD2 LEU 68 1HD2 LEU 68 -1.798 -13.245 -3.841 539 2HD2 LEU 68 2HD2 LEU 68 -0.342 -14.184 -4.271 540 3HD2 LEU 68 3HD2 LEU 68 -1.270 -14.763 -2.942 541 H LYS 69 H LYS 69 4.103 -13.672 -5.385 542 HA LYS 69 HA LYS 69 5.410 -11.248 -6.387 543 1HB LYS 69 1HB LYS 69 6.814 -12.643 -7.814 544 2HB LYS 69 2HB LYS 69 7.138 -12.744 -6.127 545 1HG LYS 69 1HG LYS 69 5.756 -14.763 -5.977 546 2HG LYS 69 2HG LYS 69 5.377 -14.655 -7.721 547 1HD LYS 69 1HD LYS 69 7.039 -16.077 -7.715 548 2HD LYS 69 2HD LYS 69 8.069 -14.695 -8.100 549 1HE LYS 69 1HE LYS 69 8.753 -14.751 -5.541 550 2HE LYS 69 2HE LYS 69 7.790 -16.247 -5.450 551 1HZ LYS 69 1HZ LYS 69 10.173 -15.651 -6.916 552 2HZ LYS 69 2HZ LYS 69 10.001 -16.784 -5.736 553 H ALA 70 H ALA 70 3.336 -13.614 -8.128 554 HA ALA 70 HA ALA 70 3.790 -12.541 -10.737 555 1HB ALA 70 1HB ALA 70 2.005 -14.020 -11.429 556 2HB ALA 70 2HB ALA 70 3.108 -14.839 -10.589 557 3HB ALA 70 3HB ALA 70 1.638 -14.401 -9.662 558 H VAL 71 H VAL 71 0.930 -12.112 -8.541 559 HA VAL 71 HA VAL 71 -0.289 -10.096 -10.134 560 HB VAL 71 HB VAL 71 -1.593 -11.331 -8.478 561 1HG1 VAL 71 1HG1 VAL 71 -1.369 -11.364 -6.248 562 2HG1 VAL 71 2HG1 VAL 71 0.234 -11.677 -6.709 563 3HG1 VAL 71 3HG1 VAL 71 -0.008 -10.064 -6.062 564 1HG2 VAL 71 1HG2 VAL 71 -2.858 -9.756 -7.483 565 2HG2 VAL 71 2HG2 VAL 71 -1.629 -8.431 -7.378 566 3HG2 VAL 71 3HG2 VAL 71 -2.298 -9.113 -8.929 567 H ALA 72 H ALA 72 1.818 -9.834 -7.250 568 HA ALA 72 HA ALA 72 2.230 -7.011 -7.056 569 1HB ALA 72 1HB ALA 72 4.562 -9.013 -6.766 570 2HB ALA 72 2HB ALA 72 4.612 -7.433 -6.202 571 3HB ALA 72 3HB ALA 72 3.383 -8.474 -5.453 572 H GLU 73 H GLU 73 3.897 -9.073 -9.189 573 HA GLU 73 HA GLU 73 5.503 -7.087 -10.539 574 1HB GLU 73 1HB GLU 73 4.737 -9.911 -11.404 575 2HB GLU 73 2HB GLU 73 5.847 -8.825 -12.311 576 1HG GLU 73 1HG GLU 73 7.556 -8.991 -10.677 577 2HG GLU 73 2HG GLU 73 6.495 -9.643 -9.485 578 HE2 GLU 73 HE GLU 73 8.087 -9.796 -12.281 579 H GLU 74 H GLU 74 2.163 -8.506 -11.218 580 HA GLU 74 HA GLU 74 1.879 -7.223 -13.717 581 1HB GLU 74 1HB GLU 74 0.148 -8.329 -14.134 582 2HB GLU 74 2HB GLU 74 0.758 -9.385 -12.992 583 1HG GLU 74 1HG GLU 74 -1.328 -9.315 -11.973 584 2HG GLU 74 2HG GLU 74 -1.157 -7.594 -11.438 585 HE2 GLU 74 HE GLU 74 -1.970 -9.290 -14.263 586 H TRP 75 H TRP 75 0.899 -6.020 -10.528 587 HA TRP 75 HA TRP 75 -0.358 -3.673 -11.575 588 1HB TRP 75 1HB TRP 75 1.179 -3.684 -8.791 589 2HB TRP 75 2HB TRP 75 -0.058 -2.378 -9.453 590 HD1 TRP 75 HD TRP 75 0.536 -5.416 -7.327 591 HE1 TRP 75 1HE TRP 75 -1.217 -7.039 -7.147 592 HE3 TRP 75 3HE TRP 75 -2.734 -3.230 -10.566 593 HZ2 TRP 75 2HZ TRP 75 -4.120 -7.066 -7.604 594 HZ3 TRP 75 3HZ TRP 75 -4.978 -4.254 -10.852 595 HH2 TRP 75 HH TRP 75 -5.499 -6.217 -9.750 596 H ASN 76 H ASN 76 2.749 -4.379 -10.471 597 HA ASN 76 HA ASN 76 4.338 -4.059 -12.343 598 1HB ASN 76 1HB ASN 76 3.283 -2.062 -13.336 599 2HB ASN 76 2HB ASN 76 3.883 -1.151 -12.054 600 1HD2 ASN 76 1HD2 ASN 76 5.485 -3.476 -14.175 601 2HD2 ASN 76 2HD2 ASN 76 6.889 -2.377 -14.723 602 H VAL 77 H VAL 77 5.051 -5.056 -10.512 603 HA VAL 77 HA VAL 77 7.110 -3.598 -8.742 604 HB VAL 77 HB VAL 77 5.610 -6.096 -7.888 605 1HG1 VAL 77 1HG1 VAL 77 7.628 -4.539 -6.156 606 2HG1 VAL 77 2HG1 VAL 77 6.478 -5.874 -5.620 607 3HG1 VAL 77 3HG1 VAL 77 7.841 -6.158 -6.642 608 1HG2 VAL 77 1HG2 VAL 77 4.446 -4.648 -6.190 609 2HG2 VAL 77 2HG2 VAL 77 5.179 -3.346 -6.940 610 3HG2 VAL 77 3HG2 VAL 77 4.236 -4.386 -7.958 611 H GLU 78 H GLU 78 8.513 -3.970 -10.333 612 HA GLU 78 HA GLU 78 10.042 -6.590 -10.724 613 1HB GLU 78 1HB GLU 78 11.681 -5.751 -11.983 614 2HB GLU 78 2HB GLU 78 10.083 -5.029 -12.637 615 1HG GLU 78 1HG GLU 78 10.575 -3.036 -11.109 616 2HG GLU 78 2HG GLU 78 12.228 -3.468 -10.806 617 HE2 GLU 78 HE GLU 78 13.616 -2.890 -12.223 618 H ALA 79 H ALA 79 9.913 -4.422 -8.177 619 HA ALA 79 HA ALA 79 12.537 -5.191 -7.044 620 1HB ALA 79 1HB ALA 79 11.907 -2.263 -7.923 621 2HB ALA 79 2HB ALA 79 13.261 -2.961 -6.810 622 3HB ALA 79 3HB ALA 79 12.965 -3.304 -8.596 623 H MET 80 H MET 80 12.677 -5.256 -5.125 624 HA MET 80 HA MET 80 10.779 -4.343 -3.288 625 1HB MET 80 1HB MET 80 13.373 -5.115 -1.857 626 2HB MET 80 2HB MET 80 11.796 -5.137 -1.479 627 1HG MET 80 1HG MET 80 12.054 -7.356 -3.733 628 2HG MET 80 2HG MET 80 12.666 -7.437 -2.149 629 1HE MET 80 1HE MET 80 8.966 -7.126 -4.171 630 2HE MET 80 2HE MET 80 7.960 -6.756 -2.688 631 3HE MET 80 3HE MET 80 8.873 -5.458 -3.566 632 HA PRO 81 HA PRO 81 9.571 -2.847 -3.344 633 1HB PRO 81 1HB PRO 81 8.951 -2.316 -0.546 634 2HB PRO 81 2HB PRO 81 10.135 -3.698 -0.927 635 1HG PRO 81 1HG PRO 81 10.709 -1.171 0.338 636 2HG PRO 81 2HG PRO 81 11.865 -2.619 0.006 637 1HD PRO 81 1HD PRO 81 11.688 -0.060 -1.412 638 2HD PRO 81 2HD PRO 81 13.001 -1.008 -1.473 639 H THR 82 H THR 82 7.882 -2.250 -3.226 640 HA THR 82 HA THR 82 7.265 0.410 -4.476 641 HB THR 82 HB THR 82 6.473 -2.477 -5.271 642 HG1 THR 82 1HG THR 82 8.259 -2.421 -5.944 643 1HG2 THR 82 1HG2 THR 82 5.917 0.426 -6.707 644 2HG2 THR 82 2HG2 THR 82 5.834 -1.036 -7.517 645 3HG2 THR 82 3HG2 THR 82 4.812 -0.612 -6.111 646 H PHE 83 H PHE 83 5.579 1.423 -4.330 647 HA PHE 83 HA PHE 83 3.258 0.881 -2.566 648 1HB PHE 83 1HB PHE 83 4.512 3.507 -2.649 649 2HB PHE 83 2HB PHE 83 3.076 3.050 -1.739 650 HD1 PHE 83 1HD PHE 83 6.910 2.807 -2.079 651 HD2 PHE 83 2HD PHE 83 3.454 1.900 0.406 652 HE1 PHE 83 1HE PHE 83 8.419 2.654 -0.055 653 HE2 PHE 83 2HE PHE 83 5.178 1.196 2.327 654 HZ PHE 83 HZ PHE 83 7.553 1.624 1.972 655 H ILE 84 H ILE 84 1.771 0.590 -3.606 656 HA ILE 84 HA ILE 84 1.149 1.901 -6.230 657 HB ILE 84 HB ILE 84 1.037 -0.948 -5.011 658 1HG1 ILE 84 1HG1 ILE 84 1.580 -0.484 -8.117 659 2HG1 ILE 84 2HG1 ILE 84 2.580 0.305 -6.980 660 1HG2 ILE 84 1HG2 ILE 84 -0.638 -0.488 -7.564 661 2HG2 ILE 84 2HG2 ILE 84 -0.537 -2.063 -6.688 662 3HG2 ILE 84 3HG2 ILE 84 -1.402 -0.582 -5.957 663 1HD1 ILE 84 1HD1 ILE 84 3.346 -1.851 -7.813 664 2HD1 ILE 84 2HD1 ILE 84 3.207 -1.829 -6.040 665 3HD1 ILE 84 3HD1 ILE 84 2.012 -2.752 -7.104 666 H PHE 85 H PHE 85 -0.880 2.506 -6.701 667 HA PHE 85 HA PHE 85 -2.230 3.696 -4.345 668 1HB PHE 85 1HB PHE 85 -0.983 5.238 -6.531 669 2HB PHE 85 2HB PHE 85 -2.254 5.943 -5.472 670 HD1 PHE 85 1HD PHE 85 1.176 4.509 -5.080 671 HD2 PHE 85 2HD PHE 85 -2.052 6.781 -3.344 672 HE1 PHE 85 1HE PHE 85 2.710 5.358 -3.314 673 HE2 PHE 85 2HE PHE 85 -0.604 7.500 -1.457 674 HZ PHE 85 HZ PHE 85 1.923 6.905 -1.573 675 H LEU 86 H LEU 86 -4.198 2.941 -4.624 676 HA LEU 86 HA LEU 86 -5.542 2.733 -7.308 677 1HB LEU 86 1HB LEU 86 -4.231 0.697 -6.230 678 2HB LEU 86 2HB LEU 86 -5.397 0.878 -5.026 679 HG LEU 86 HG LEU 86 -6.107 -1.041 -6.004 680 1HD1 LEU 86 1HD1 LEU 86 -8.287 -0.588 -7.191 681 2HD1 LEU 86 2HD1 LEU 86 -8.230 0.561 -5.851 682 3HD1 LEU 86 3HD1 LEU 86 -7.778 1.109 -7.535 683 1HD2 LEU 86 1HD2 LEU 86 -5.807 0.212 -8.780 684 2HD2 LEU 86 2HD2 LEU 86 -4.802 -1.006 -8.133 685 3HD2 LEU 86 3HD2 LEU 86 -6.322 -1.481 -8.469 686 H LYS 87 H LYS 87 -7.246 3.856 -7.132 687 HA LYS 87 HA LYS 87 -9.017 4.385 -4.713 688 1HB LYS 87 1HB LYS 87 -7.438 6.237 -5.938 689 2HB LYS 87 2HB LYS 87 -8.534 6.029 -7.330 690 1HG LYS 87 1HG LYS 87 -10.434 7.072 -5.730 691 2HG LYS 87 2HG LYS 87 -9.257 7.050 -4.484 692 1HD LYS 87 1HD LYS 87 -7.847 8.539 -6.466 693 2HD LYS 87 2HD LYS 87 -9.401 8.530 -7.258 694 1HE LYS 87 1HE LYS 87 -9.121 10.677 -6.006 695 2HE LYS 87 2HE LYS 87 -10.454 9.745 -5.432 696 1HZ LYS 87 1HZ LYS 87 -9.111 8.999 -3.536 697 2HZ LYS 87 2HZ LYS 87 -7.766 9.650 -4.143 698 H ASP 88 H ASP 88 -11.164 5.049 -5.089 699 HA ASP 88 HA ASP 88 -12.901 3.797 -6.963 700 1HB ASP 88 1HB ASP 88 -14.412 5.692 -6.730 701 2HB ASP 88 2HB ASP 88 -13.757 5.140 -5.194 702 HD2 ASP 88 HD ASP 88 -12.102 8.006 -4.442 703 H GLY 89 H GLY 89 -10.697 4.059 -8.708 704 1HA GLY 89 1HA GLY 89 -11.971 5.059 -11.163 705 2HA GLY 89 2HA GLY 89 -10.579 6.103 -10.543 706 H LYS 90 H LYS 90 -10.360 2.569 -9.938 707 HA LYS 90 HA LYS 90 -8.802 1.149 -10.402 708 1HB LYS 90 1HB LYS 90 -9.755 1.410 -12.923 709 2HB LYS 90 2HB LYS 90 -8.233 2.048 -13.321 710 1HG LYS 90 1HG LYS 90 -7.038 -0.205 -12.636 711 2HG LYS 90 2HG LYS 90 -8.532 -0.782 -11.856 712 1HD LYS 90 1HD LYS 90 -8.208 -0.315 -14.839 713 2HD LYS 90 2HD LYS 90 -8.004 -1.759 -14.058 714 1HE LYS 90 1HE LYS 90 -10.138 -2.114 -13.431 715 2HE LYS 90 2HE LYS 90 -10.789 -0.427 -13.707 716 1HZ LYS 90 1HZ LYS 90 -9.770 -1.407 -16.172 717 2HZ LYS 90 2HZ LYS 90 -11.326 -1.010 -15.766 718 H LEU 91 H LEU 91 -6.423 1.062 -11.609 719 HA LEU 91 HA LEU 91 -4.598 1.968 -9.632 720 1HB LEU 91 1HB LEU 91 -4.115 0.028 -10.901 721 2HB LEU 91 2HB LEU 91 -4.182 0.750 -12.424 722 HG LEU 91 HG LEU 91 -2.018 2.020 -11.894 723 1HD1 LEU 91 1HD1 LEU 91 -0.597 1.539 -9.885 724 2HD1 LEU 91 2HD1 LEU 91 -2.175 1.942 -9.263 725 3HD1 LEU 91 3HD1 LEU 91 -1.744 0.286 -9.378 726 1HD2 LEU 91 1HD2 LEU 91 -0.486 0.164 -12.083 727 2HD2 LEU 91 2HD2 LEU 91 -1.674 -1.062 -11.544 728 3HD2 LEU 91 3HD2 LEU 91 -1.908 -0.157 -13.052 729 H VAL 92 H VAL 92 -4.487 3.974 -9.199 730 HA VAL 92 HA VAL 92 -4.164 6.153 -11.155 731 HB VAL 92 HB VAL 92 -4.190 7.850 -9.419 732 1HG1 VAL 92 1HG1 VAL 92 -6.548 7.579 -8.686 733 2HG1 VAL 92 2HG1 VAL 92 -6.308 7.025 -10.312 734 3HG1 VAL 92 3HG1 VAL 92 -6.380 5.833 -9.106 735 1HG2 VAL 92 1HG2 VAL 92 -4.735 5.923 -7.198 736 2HG2 VAL 92 2HG2 VAL 92 -3.210 6.563 -7.290 737 3HG2 VAL 92 3HG2 VAL 92 -4.469 7.716 -7.049 738 H ASP 93 H ASP 93 -1.806 4.650 -8.878 739 HA ASP 93 HA ASP 93 0.349 5.984 -10.451 740 1HB ASP 93 1HB ASP 93 -0.239 7.857 -8.912 741 2HB ASP 93 2HB ASP 93 -0.095 6.863 -7.448 742 HD2 ASP 93 HD ASP 93 1.646 7.225 -6.444 743 H LYS 94 H LYS 94 2.714 5.671 -9.170 744 HA LYS 94 HA LYS 94 3.032 3.323 -7.578 745 1HB LYS 94 1HB LYS 94 4.393 2.050 -9.449 746 2HB LYS 94 2HB LYS 94 2.727 2.040 -9.724 747 1HG LYS 94 1HG LYS 94 4.919 3.983 -11.055 748 2HG LYS 94 2HG LYS 94 4.375 2.419 -11.678 749 1HD LYS 94 1HD LYS 94 2.517 4.709 -11.466 750 2HD LYS 94 2HD LYS 94 3.308 4.373 -12.959 751 1HE LYS 94 1HE LYS 94 2.389 1.949 -12.831 752 2HE LYS 94 2HE LYS 94 1.248 2.498 -11.652 753 1HZ LYS 94 1HZ LYS 94 1.545 3.460 -14.571 754 2HZ LYS 94 2HZ LYS 94 0.895 4.391 -13.285 755 H THR 95 H THR 95 5.017 3.286 -6.703 756 HA THR 95 HA THR 95 7.275 4.738 -7.754 757 HB THR 95 HB THR 95 5.901 5.927 -5.444 758 HG1 THR 95 1HG THR 95 7.431 7.081 -7.772 759 1HG2 THR 95 1HG2 THR 95 8.142 5.852 -4.453 760 2HG2 THR 95 2HG2 THR 95 8.823 6.637 -5.952 761 3HG2 THR 95 3HG2 THR 95 7.877 7.461 -4.872 762 H VAL 96 H VAL 96 9.143 3.948 -6.680 763 HA VAL 96 HA VAL 96 8.779 1.888 -4.515 764 HB VAL 96 HB VAL 96 8.739 0.713 -6.588 765 1HG1 VAL 96 1HG1 VAL 96 10.722 1.298 -8.713 766 2HG1 VAL 96 2HG1 VAL 96 9.099 1.889 -8.575 767 3HG1 VAL 96 3HG1 VAL 96 10.579 2.834 -7.898 768 1HG2 VAL 96 1HG2 VAL 96 11.875 0.427 -6.208 769 2HG2 VAL 96 2HG2 VAL 96 10.608 -0.239 -5.130 770 3HG2 VAL 96 3HG2 VAL 96 10.633 -0.786 -6.846 771 H GLY 97 H GLY 97 9.852 2.349 -3.031 772 1HA GLY 97 1HA GLY 97 12.384 2.708 -2.393 773 2HA GLY 97 2HA GLY 97 12.028 4.503 -2.778 774 H ALA 98 H ALA 98 11.738 2.049 -0.342 775 HA ALA 98 HA ALA 98 10.124 3.462 1.694 776 1HB ALA 98 1HB ALA 98 10.794 1.043 1.713 777 2HB ALA 98 2HB ALA 98 12.419 1.452 1.826 778 3HB ALA 98 3HB ALA 98 11.449 1.738 3.240 779 H ASP 99 H ASP 99 10.524 5.248 2.793 780 HA ASP 99 HA ASP 99 13.058 6.154 3.818 781 1HB ASP 99 1HB ASP 99 13.128 6.950 1.263 782 2HB ASP 99 2HB ASP 99 11.781 7.912 1.660 783 HD2 ASP 99 HD ASP 99 15.412 9.109 2.463 784 H LYS 100 H LYS 100 12.255 6.707 5.696 785 HA LYS 100 HA LYS 100 9.917 7.031 6.564 786 1HB LYS 100 1HB LYS 100 10.433 8.454 8.554 787 2HB LYS 100 2HB LYS 100 11.646 7.047 8.142 788 1HG LYS 100 1HG LYS 100 13.356 8.621 7.426 789 2HG LYS 100 2HG LYS 100 12.414 10.080 7.512 790 1HD LYS 100 1HD LYS 100 12.010 9.631 10.112 791 2HD LYS 100 2HD LYS 100 13.274 8.405 10.019 792 1HE LYS 100 1HE LYS 100 14.875 10.206 9.071 793 2HE LYS 100 2HE LYS 100 13.572 11.447 9.329 794 1HZ LYS 100 1HZ LYS 100 14.969 9.926 11.444 795 2HZ LYS 100 2HZ LYS 100 14.910 11.423 11.254 796 H ASP 101 H ASP 101 11.355 9.977 5.561 797 HA ASP 101 HA ASP 101 9.022 11.686 5.776 798 1HB ASP 101 1HB ASP 101 10.164 13.562 4.800 799 2HB ASP 101 2HB ASP 101 10.825 12.837 6.337 800 HD2 ASP 101 HD ASP 101 12.961 12.848 2.864 801 H GLY 102 H GLY 102 10.584 10.208 3.017 802 1HA GLY 102 1HA GLY 102 9.332 11.596 0.826 803 2HA GLY 102 2HA GLY 102 9.980 10.065 0.742 804 H LEU 103 H LEU 103 8.326 8.483 2.381 805 HA LEU 103 HA LEU 103 6.006 8.016 0.767 806 1HB LEU 103 1HB LEU 103 7.399 6.265 2.029 807 2HB LEU 103 2HB LEU 103 6.940 7.128 3.488 808 HG LEU 103 HG LEU 103 4.519 6.553 3.070 809 1HD1 LEU 103 1HD1 LEU 103 3.965 4.752 1.523 810 2HD1 LEU 103 2HD1 LEU 103 4.554 6.208 0.614 811 3HD1 LEU 103 3HD1 LEU 103 5.703 4.794 0.901 812 1HD2 LEU 103 1HD2 LEU 103 6.109 5.289 4.587 813 2HD2 LEU 103 2HD2 LEU 103 4.665 4.256 4.003 814 3HD2 LEU 103 3HD2 LEU 103 6.193 4.069 3.242 815 HA PRO 104 HA PRO 104 3.259 10.547 4.058 816 1HB PRO 104 1HB PRO 104 5.654 12.107 5.010 817 2HB PRO 104 2HB PRO 104 4.126 11.896 5.929 818 1HG PRO 104 1HG PRO 104 6.230 10.450 6.453 819 2HG PRO 104 2HG PRO 104 4.687 9.654 6.438 820 1HD PRO 104 1HD PRO 104 7.007 9.472 4.449 821 2HD PRO 104 2HD PRO 104 5.828 8.270 4.995 822 H THR 105 H THR 105 6.025 12.068 2.517 823 HA THR 105 HA THR 105 4.549 14.366 1.349 824 HB THR 105 HB THR 105 7.281 13.183 0.535 825 HG1 THR 105 1HG THR 105 6.828 14.266 2.655 826 1HG2 THR 105 1HG2 THR 105 7.669 15.496 -0.505 827 2HG2 THR 105 2HG2 THR 105 6.516 14.412 -1.485 828 3HG2 THR 105 3HG2 THR 105 6.011 15.789 -0.320 829 H LEU 106 H LEU 106 5.483 11.217 -0.273 830 HA LEU 106 HA LEU 106 3.899 11.422 -2.692 831 1HB LEU 106 1HB LEU 106 5.841 9.844 -2.044 832 2HB LEU 106 2HB LEU 106 4.588 8.935 -1.021 833 HG LEU 106 HG LEU 106 3.158 8.313 -2.803 834 1HD1 LEU 106 1HD1 LEU 106 3.648 8.617 -5.190 835 2HD1 LEU 106 2HD1 LEU 106 3.865 10.165 -4.646 836 3HD1 LEU 106 3HD1 LEU 106 5.393 9.266 -4.746 837 1HD2 LEU 106 1HD2 LEU 106 4.560 6.673 -3.863 838 2HD2 LEU 106 2HD2 LEU 106 5.947 7.533 -3.133 839 3HD2 LEU 106 3HD2 LEU 106 4.661 6.690 -2.106 840 H VAL 107 H VAL 107 2.800 9.998 0.219 841 HA VAL 107 HA VAL 107 -0.054 9.505 -0.633 842 HB VAL 107 HB VAL 107 1.269 9.572 2.110 843 1HG1 VAL 107 1HG1 VAL 107 -1.035 10.159 2.573 844 2HG1 VAL 107 2HG1 VAL 107 -1.616 8.889 1.437 845 3HG1 VAL 107 3HG1 VAL 107 -0.852 8.382 2.913 846 1HG2 VAL 107 1HG2 VAL 107 1.190 7.504 2.135 847 2HG2 VAL 107 2HG2 VAL 107 0.116 7.193 0.654 848 3HG2 VAL 107 3HG2 VAL 107 1.946 7.695 0.676 849 H ALA 108 H ALA 108 1.178 12.306 1.373 850 HA ALA 108 HA ALA 108 -1.194 13.784 1.553 851 1HB ALA 108 1HB ALA 108 0.560 15.801 1.588 852 2HB ALA 108 2HB ALA 108 0.735 14.441 2.809 853 3HB ALA 108 3HB ALA 108 1.847 14.631 1.442 854 H LYS 109 H LYS 109 1.181 13.974 -1.031 855 HA LYS 109 HA LYS 109 -0.267 15.648 -3.058 856 1HB LYS 109 1HB LYS 109 1.751 13.293 -3.487 857 2HB LYS 109 2HB LYS 109 1.168 14.356 -4.722 858 1HG LYS 109 1HG LYS 109 2.342 16.216 -4.100 859 2HG LYS 109 2HG LYS 109 2.701 15.632 -2.425 860 1HD LYS 109 1HD LYS 109 4.053 13.774 -3.343 861 2HD LYS 109 2HD LYS 109 3.686 14.277 -4.953 862 1HE LYS 109 1HE LYS 109 4.725 16.542 -4.773 863 2HE LYS 109 2HE LYS 109 5.033 16.333 -3.004 864 1HZ LYS 109 1HZ LYS 109 6.466 14.299 -3.788 865 2HZ LYS 109 2HZ LYS 109 6.164 14.784 -5.253 866 H HIS 110 H HIS 110 -0.474 12.028 -2.447 867 HA HIS 110 HA HIS 110 -2.288 11.767 -4.514 868 1HB HIS 110 1HB HIS 110 -1.056 9.849 -2.743 869 2HB HIS 110 2HB HIS 110 -2.621 9.323 -3.153 870 HD1 HIS 110 1HD HIS 110 -3.141 9.392 -5.923 871 HD2 HIS 110 2HD HIS 110 0.709 10.279 -4.709 872 HE1 HIS 110 1HE HIS 110 -1.708 9.537 -7.884 873 H ALA 111 H ALA 111 -2.876 11.553 -1.230 874 HA ALA 111 HA ALA 111 -5.753 11.476 -1.176 875 1HB ALA 111 1HB ALA 111 -5.607 11.927 1.100 876 2HB ALA 111 2HB ALA 111 -3.994 10.958 0.768 877 3HB ALA 111 3HB ALA 111 -3.954 12.731 1.001 878 H THR 112 H THR 112 -3.731 14.179 -1.460 879 HA THR 112 HA THR 112 -5.814 16.255 -1.273 880 HB THR 112 HB THR 112 -2.991 16.529 -2.633 881 HG1 THR 112 1HG THR 112 -2.658 16.082 -0.528 882 1HG2 THR 112 1HG2 THR 112 -4.475 18.529 -3.281 883 2HG2 THR 112 2HG2 THR 112 -4.691 18.883 -1.649 884 3HG2 THR 112 3HG2 THR 112 -2.993 18.837 -2.423 885 H ALA 113 H ALA 113 -4.336 14.727 -4.027 886 HA ALA 113 HA ALA 113 -6.136 15.739 -6.141 887 1HB ALA 113 1HB ALA 113 -4.013 13.493 -6.151 888 2HB ALA 113 2HB ALA 113 -4.975 13.970 -7.563 889 3HB ALA 113 3HB ALA 113 -3.914 15.123 -6.751 890 HXT ALA 113 HO ALA 113 -8.894 13.803 -5.867 Start of MODEL 14 1 1H ALA 1 1H ALA 1 -12.466 11.684 15.226 2 2H ALA 1 2H ALA 1 -13.649 10.706 15.748 3 HA ALA 1 HA ALA 1 -10.707 10.262 16.023 4 1HB ALA 1 1HB ALA 1 -11.151 8.459 17.529 5 2HB ALA 1 2HB ALA 1 -11.735 9.916 18.149 6 3HB ALA 1 3HB ALA 1 -12.882 8.712 17.445 7 H GLU 2 H GLU 2 -10.457 9.828 14.024 8 HA GLU 2 HA GLU 2 -11.705 7.525 12.581 9 1HB GLU 2 1HB GLU 2 -12.942 9.979 12.202 10 2HB GLU 2 2HB GLU 2 -11.582 10.323 11.192 11 1HG GLU 2 1HG GLU 2 -12.037 8.075 9.874 12 2HG GLU 2 2HG GLU 2 -13.410 7.903 11.006 13 HE2 GLU 2 HE GLU 2 -15.669 9.518 9.208 14 H GLU 3 H GLU 3 -10.206 6.504 11.540 15 HA GLU 3 HA GLU 3 -7.688 7.800 10.367 16 1HB GLU 3 1HB GLU 3 -6.157 6.543 11.774 17 2HB GLU 3 2HB GLU 3 -7.204 7.448 12.735 18 1HG GLU 3 1HG GLU 3 -8.464 5.432 13.347 19 2HG GLU 3 2HG GLU 3 -7.837 4.425 12.188 20 HE2 GLU 3 HE GLU 3 -4.896 3.650 13.993 21 H GLY 4 H GLY 4 -6.336 6.418 9.589 22 1HA GLY 4 1HA GLY 4 -7.253 4.495 7.443 23 2HA GLY 4 2HA GLY 4 -5.559 5.059 7.685 24 H GLN 5 H GLN 5 -6.005 2.418 7.331 25 HA GLN 5 HA GLN 5 -5.649 1.021 10.021 26 1HB GLN 5 1HB GLN 5 -7.536 -0.384 9.724 27 2HB GLN 5 2HB GLN 5 -8.082 1.335 9.572 28 1HG GLN 5 1HG GLN 5 -7.687 0.682 6.830 29 2HG GLN 5 2HG GLN 5 -7.870 -0.934 7.381 30 1HE2 GLN 5 1HE2 GLN 5 -9.405 2.291 7.200 31 2HE2 GLN 5 2HE2 GLN 5 -11.024 1.543 6.872 32 H VAL 6 H VAL 6 -3.608 0.273 9.494 33 HA VAL 6 HA VAL 6 -2.843 -1.245 7.136 34 HB VAL 6 HB VAL 6 -1.717 -0.923 9.914 35 1HG1 VAL 6 1HG1 VAL 6 0.545 -1.761 9.019 36 2HG1 VAL 6 2HG1 VAL 6 -0.669 -2.966 8.737 37 3HG1 VAL 6 3HG1 VAL 6 -0.229 -2.055 7.396 38 1HG2 VAL 6 1HG2 VAL 6 -0.728 0.422 7.301 39 2HG2 VAL 6 2HG2 VAL 6 -1.606 1.355 8.633 40 3HG2 VAL 6 3HG2 VAL 6 -0.082 0.659 8.943 41 H ILE 7 H ILE 7 -3.235 -3.188 6.660 42 HA ILE 7 HA ILE 7 -4.073 -5.280 8.550 43 HB ILE 7 HB ILE 7 -5.893 -4.167 7.119 44 1HG1 ILE 7 1HG1 ILE 7 -6.596 -6.082 8.382 45 2HG1 ILE 7 2HG1 ILE 7 -7.277 -6.062 6.839 46 1HG2 ILE 7 1HG2 ILE 7 -6.319 -5.237 4.789 47 2HG2 ILE 7 2HG2 ILE 7 -5.233 -3.787 5.107 48 3HG2 ILE 7 3HG2 ILE 7 -4.658 -5.493 4.733 49 1HD1 ILE 7 1HD1 ILE 7 -5.494 -7.879 6.039 50 2HD1 ILE 7 2HD1 ILE 7 -4.946 -7.747 7.725 51 3HD1 ILE 7 3HD1 ILE 7 -6.608 -8.375 7.355 52 H ALA 8 H ALA 8 -2.522 -6.747 8.464 53 HA ALA 8 HA ALA 8 -0.457 -7.371 6.447 54 1HB ALA 8 1HB ALA 8 -0.312 -9.519 7.798 55 2HB ALA 8 2HB ALA 8 0.008 -8.061 8.713 56 3HB ALA 8 3HB ALA 8 -1.585 -8.977 8.876 57 H CYS 9 H CYS 9 -0.426 -8.902 4.887 58 HA CYS 9 HA CYS 9 -2.897 -10.080 3.803 59 1HB CYS 9 1HB CYS 9 -1.093 -8.105 2.291 60 2HB CYS 9 2HB CYS 9 -2.308 -9.008 1.571 61 HG CYS 9 HG CYS 9 -4.187 -7.970 3.584 62 H HIS 10 H HIS 10 -2.464 -11.721 2.269 63 HA HIS 10 HA HIS 10 0.179 -12.963 2.169 64 1HB HIS 10 1HB HIS 10 -2.181 -14.224 3.725 65 2HB HIS 10 2HB HIS 10 -0.739 -15.107 3.377 66 HD1 HIS 10 1HD HIS 10 -2.228 -13.275 6.188 67 HD2 HIS 10 2HD HIS 10 1.744 -13.900 4.479 68 HE1 HIS 10 1HE HIS 10 -0.544 -12.495 7.830 69 H THR 11 H THR 11 -3.109 -13.515 1.159 70 HA THR 11 HA THR 11 -2.267 -15.423 -0.941 71 HB THR 11 HB THR 11 -3.924 -17.063 -0.021 72 HG1 THR 11 1HG THR 11 -4.807 -16.433 2.209 73 1HG2 THR 11 1HG2 THR 11 -2.649 -18.095 1.371 74 2HG2 THR 11 2HG2 THR 11 -1.469 -16.884 1.139 75 3HG2 THR 11 3HG2 THR 11 -2.633 -16.697 2.598 76 H VAL 12 H VAL 12 -4.745 -16.145 -1.970 77 HA VAL 12 HA VAL 12 -5.959 -13.966 -3.274 78 HB VAL 12 HB VAL 12 -6.191 -16.364 -3.928 79 1HG1 VAL 12 1HG1 VAL 12 -8.576 -16.523 -1.909 80 2HG1 VAL 12 2HG1 VAL 12 -7.970 -17.714 -3.042 81 3HG1 VAL 12 3HG1 VAL 12 -7.051 -17.331 -1.695 82 1HG2 VAL 12 1HG2 VAL 12 -8.778 -14.836 -3.886 83 2HG2 VAL 12 2HG2 VAL 12 -7.459 -14.614 -5.061 84 3HG2 VAL 12 3HG2 VAL 12 -8.387 -16.188 -5.000 85 H ASP 13 H ASP 13 -6.352 -14.451 0.020 86 HA ASP 13 HA ASP 13 -8.954 -13.343 0.478 87 1HB ASP 13 1HB ASP 13 -6.530 -13.704 2.255 88 2HB ASP 13 2HB ASP 13 -7.993 -13.024 2.850 89 HD2 ASP 13 HD ASP 13 -9.767 -14.423 1.862 90 H THR 14 H THR 14 -5.734 -12.045 0.405 91 HA THR 14 HA THR 14 -6.507 -9.251 0.605 92 HB THR 14 HB THR 14 -4.194 -10.162 1.062 93 HG1 THR 14 1HG THR 14 -3.865 -7.806 -0.107 94 1HG2 THR 14 1HG2 THR 14 -3.881 -9.126 -1.792 95 2HG2 THR 14 2HG2 THR 14 -2.595 -9.647 -0.760 96 3HG2 THR 14 3HG2 THR 14 -3.679 -10.851 -1.451 97 H TRP 15 H TRP 15 -6.327 -11.363 -2.148 98 HA TRP 15 HA TRP 15 -6.804 -9.385 -4.278 99 1HB TRP 15 1HB TRP 15 -7.125 -12.287 -3.979 100 2HB TRP 15 2HB TRP 15 -8.255 -11.647 -5.116 101 HD1 TRP 15 HD TRP 15 -4.449 -12.380 -4.595 102 HE1 TRP 15 1HE TRP 15 -3.075 -12.250 -6.713 103 HE3 TRP 15 3HE TRP 15 -8.240 -10.336 -7.190 104 HZ2 TRP 15 2HZ TRP 15 -3.865 -10.981 -9.455 105 HZ3 TRP 15 3HZ TRP 15 -8.011 -9.952 -9.607 106 HH2 TRP 15 HH TRP 15 -5.836 -10.163 -10.675 107 H LYS 16 H LYS 16 -9.116 -11.127 -2.314 108 HA LYS 16 HA LYS 16 -11.516 -9.427 -3.013 109 1HB LYS 16 1HB LYS 16 -10.841 -11.194 -0.520 110 2HB LYS 16 2HB LYS 16 -12.326 -10.281 -0.629 111 1HG LYS 16 1HG LYS 16 -13.173 -11.277 -2.679 112 2HG LYS 16 2HG LYS 16 -11.664 -12.257 -2.885 113 1HD LYS 16 1HD LYS 16 -13.940 -12.595 -0.685 114 2HD LYS 16 2HD LYS 16 -13.690 -13.450 -2.072 115 1HE LYS 16 1HE LYS 16 -11.533 -14.256 -1.251 116 2HE LYS 16 2HE LYS 16 -11.738 -13.409 0.219 117 1HZ LYS 16 1HZ LYS 16 -12.333 -15.952 -0.189 118 2HZ LYS 16 2HZ LYS 16 -13.294 -15.068 0.869 119 H GLU 17 H GLU 17 -9.207 -9.013 -0.447 120 HA GLU 17 HA GLU 17 -10.500 -6.621 0.694 121 1HB GLU 17 1HB GLU 17 -7.591 -7.480 0.895 122 2HB GLU 17 2HB GLU 17 -8.125 -6.038 1.643 123 1HG GLU 17 1HG GLU 17 -9.526 -7.413 3.234 124 2HG GLU 17 2HG GLU 17 -9.253 -8.899 2.190 125 HE2 GLU 17 HE GLU 17 -6.689 -7.548 4.994 126 H HIS 18 H HIS 18 -7.852 -6.696 -1.515 127 HA HIS 18 HA HIS 18 -7.373 -3.968 -1.765 128 1HB HIS 18 1HB HIS 18 -5.537 -5.714 -2.198 129 2HB HIS 18 2HB HIS 18 -6.514 -6.440 -3.411 130 HD1 HIS 18 1HD HIS 18 -6.630 -4.698 -5.952 131 HD2 HIS 18 2HD HIS 18 -3.789 -3.691 -3.035 132 HE1 HIS 18 1HE HIS 18 -4.590 -3.829 -7.047 133 H PHE 19 H PHE 19 -8.768 -6.161 -4.113 134 HA PHE 19 HA PHE 19 -9.627 -4.192 -6.052 135 1HB PHE 19 1HB PHE 19 -9.214 -6.360 -6.795 136 2HB PHE 19 2HB PHE 19 -10.374 -7.065 -5.736 137 HD1 PHE 19 1HD PHE 19 -12.584 -7.429 -6.647 138 HD2 PHE 19 2HD PHE 19 -9.996 -4.745 -8.867 139 HE1 PHE 19 1HE PHE 19 -14.145 -7.590 -8.454 140 HE2 PHE 19 2HE PHE 19 -11.659 -4.677 -10.702 141 HZ PHE 19 HZ PHE 19 -13.644 -6.195 -10.557 142 H GLU 20 H GLU 20 -11.617 -5.596 -3.611 143 HA GLU 20 HA GLU 20 -14.132 -4.211 -4.187 144 1HB GLU 20 1HB GLU 20 -13.286 -5.531 -1.524 145 2HB GLU 20 2HB GLU 20 -14.892 -4.929 -1.865 146 1HG GLU 20 1HG GLU 20 -13.629 -7.200 -3.424 147 2HG GLU 20 2HG GLU 20 -14.646 -7.314 -1.985 148 HE2 GLU 20 HE GLU 20 -17.627 -6.538 -3.415 149 H LYS 21 H LYS 21 -11.741 -3.540 -1.298 150 HA LYS 21 HA LYS 21 -12.779 -0.964 -0.858 151 1HB LYS 21 1HB LYS 21 -9.861 -1.572 -0.433 152 2HB LYS 21 2HB LYS 21 -10.677 -0.287 0.098 153 1HG LYS 21 1HG LYS 21 -11.355 -3.253 0.855 154 2HG LYS 21 2HG LYS 21 -10.131 -2.200 1.602 155 1HD LYS 21 1HD LYS 21 -11.892 -0.548 2.151 156 2HD LYS 21 2HD LYS 21 -13.182 -1.463 1.337 157 1HE LYS 21 1HE LYS 21 -13.219 -1.847 3.930 158 2HE LYS 21 2HE LYS 21 -13.069 -3.266 2.762 159 1HZ LYS 21 1HZ LYS 21 -10.754 -3.441 3.507 160 2HZ LYS 21 2HZ LYS 21 -10.734 -1.968 4.211 161 H GLY 22 H GLY 22 -9.941 -1.520 -3.080 162 1HA GLY 22 1HA GLY 22 -9.280 0.797 -4.284 163 2HA GLY 22 2HA GLY 22 -9.351 -0.722 -5.076 164 H LYS 23 H LYS 23 -11.076 -1.113 -6.492 165 HA LYS 23 HA LYS 23 -13.108 0.985 -7.327 166 1HB LYS 23 1HB LYS 23 -11.884 -0.602 -9.016 167 2HB LYS 23 2HB LYS 23 -12.777 -1.871 -8.239 168 1HG LYS 23 1HG LYS 23 -14.840 0.025 -8.634 169 2HG LYS 23 2HG LYS 23 -13.929 0.399 -10.033 170 1HD LYS 23 1HD LYS 23 -15.115 -2.356 -9.349 171 2HD LYS 23 2HD LYS 23 -15.715 -1.237 -10.487 172 1HE LYS 23 1HE LYS 23 -13.080 -2.703 -10.865 173 2HE LYS 23 2HE LYS 23 -14.613 -3.114 -11.666 174 1HZ LYS 23 1HZ LYS 23 -13.235 -0.481 -11.898 175 2HZ LYS 23 2HZ LYS 23 -12.862 -1.717 -12.882 176 H GLY 24 H GLY 24 -14.255 1.160 -5.465 177 1HA GLY 24 1HA GLY 24 -16.652 0.138 -5.854 178 2HA GLY 24 2HA GLY 24 -16.195 -1.067 -4.739 179 H SER 25 H SER 25 -14.492 1.198 -3.538 180 HA SER 25 HA SER 25 -16.525 2.389 -1.689 181 1HB SER 25 1HB SER 25 -13.833 1.159 -0.713 182 2HB SER 25 2HB SER 25 -14.859 2.092 0.322 183 HG SER 25 HG SER 25 -15.169 -0.506 -0.779 184 H GLN 26 H GLN 26 -16.333 4.546 -2.107 185 HA GLN 26 HA GLN 26 -14.390 6.079 -3.250 186 1HB GLN 26 1HB GLN 26 -16.602 7.080 -1.495 187 2HB GLN 26 2HB GLN 26 -15.515 8.040 -2.618 188 1HG GLN 26 1HG GLN 26 -17.527 7.816 -3.602 189 2HG GLN 26 2HG GLN 26 -16.303 7.244 -4.548 190 1HE2 GLN 26 1HE2 GLN 26 -16.346 4.860 -5.077 191 2HE2 GLN 26 2HE2 GLN 26 -17.789 3.865 -4.719 192 H LYS 27 H LYS 27 -12.573 5.289 -2.183 193 HA LYS 27 HA LYS 27 -11.279 7.257 -0.376 194 1HB LYS 27 1HB LYS 27 -10.691 5.730 1.391 195 2HB LYS 27 2HB LYS 27 -12.410 5.592 1.260 196 1HG LYS 27 1HG LYS 27 -12.039 3.417 0.097 197 2HG LYS 27 2HG LYS 27 -10.273 3.610 0.227 198 1HD LYS 27 1HD LYS 27 -10.804 2.188 1.873 199 2HD LYS 27 2HD LYS 27 -10.298 3.619 2.553 200 1HE LYS 27 1HE LYS 27 -12.223 4.218 3.518 201 2HE LYS 27 2HE LYS 27 -13.254 3.319 2.391 202 1HZ LYS 27 1HZ LYS 27 -11.702 2.185 4.687 203 2HZ LYS 27 2HZ LYS 27 -13.268 2.077 4.520 204 H LEU 28 H LEU 28 -9.052 6.912 -0.331 205 HA LEU 28 HA LEU 28 -7.621 5.638 -2.577 206 1HB LEU 28 1HB LEU 28 -6.953 7.930 -1.678 207 2HB LEU 28 2HB LEU 28 -6.653 7.231 -0.145 208 HG LEU 28 HG LEU 28 -4.652 5.979 -1.241 209 1HD1 LEU 28 1HD1 LEU 28 -3.949 6.828 -3.603 210 2HD1 LEU 28 2HD1 LEU 28 -5.322 5.754 -3.604 211 3HD1 LEU 28 3HD1 LEU 28 -5.539 7.486 -3.737 212 1HD2 LEU 28 1HD2 LEU 28 -4.669 8.391 -0.150 213 2HD2 LEU 28 2HD2 LEU 28 -3.398 8.285 -1.344 214 3HD2 LEU 28 3HD2 LEU 28 -5.038 9.067 -1.702 215 H ILE 29 H ILE 29 -6.234 4.000 -2.242 216 HA ILE 29 HA ILE 29 -6.037 2.455 0.259 217 HB ILE 29 HB ILE 29 -6.480 0.390 -0.326 218 1HG1 ILE 29 1HG1 ILE 29 -7.134 0.920 -3.325 219 2HG1 ILE 29 2HG1 ILE 29 -5.560 0.630 -2.827 220 1HG2 ILE 29 1HG2 ILE 29 -8.764 0.298 -0.998 221 2HG2 ILE 29 2HG2 ILE 29 -8.591 1.829 -0.148 222 3HG2 ILE 29 3HG2 ILE 29 -8.751 1.925 -1.832 223 1HD1 ILE 29 1HD1 ILE 29 -7.015 -1.372 -3.611 224 2HD1 ILE 29 2HD1 ILE 29 -5.917 -1.611 -2.103 225 3HD1 ILE 29 3HD1 ILE 29 -7.671 -1.407 -2.101 226 H VAL 30 H VAL 30 -3.960 1.864 0.495 227 HA VAL 30 HA VAL 30 -1.900 2.443 -1.654 228 HB VAL 30 HB VAL 30 -1.506 3.330 1.203 229 1HG1 VAL 30 1HG1 VAL 30 0.296 3.544 -1.394 230 2HG1 VAL 30 2HG1 VAL 30 0.366 4.744 -0.041 231 3HG1 VAL 30 3HG1 VAL 30 0.669 3.011 0.225 232 1HG2 VAL 30 1HG2 VAL 30 -1.662 5.691 0.274 233 2HG2 VAL 30 2HG2 VAL 30 -1.988 4.993 -1.277 234 3HG2 VAL 30 3HG2 VAL 30 -3.168 4.748 0.160 235 H VAL 31 H VAL 31 -0.326 0.917 -1.618 236 HA VAL 31 HA VAL 31 -0.487 -1.406 0.225 237 HB VAL 31 HB VAL 31 -2.154 -1.787 -1.165 238 1HG1 VAL 31 1HG1 VAL 31 -1.979 -0.621 -3.135 239 2HG1 VAL 31 2HG1 VAL 31 -0.357 -1.373 -3.414 240 3HG1 VAL 31 3HG1 VAL 31 -1.873 -2.309 -3.677 241 1HG2 VAL 31 1HG2 VAL 31 -1.749 -4.085 -1.928 242 2HG2 VAL 31 2HG2 VAL 31 -0.093 -3.812 -1.873 243 3HG2 VAL 31 3HG2 VAL 31 -0.940 -3.725 -0.294 244 H ASP 32 H ASP 32 1.335 -1.308 0.836 245 HA ASP 32 HA ASP 32 4.039 -1.458 -0.283 246 1HB ASP 32 1HB ASP 32 3.444 -1.073 2.146 247 2HB ASP 32 2HB ASP 32 3.338 -2.811 2.402 248 HD2 ASP 32 HD ASP 32 6.977 -2.138 1.304 249 H PHE 33 H PHE 33 4.421 -2.962 -1.956 250 HA PHE 33 HA PHE 33 4.379 -5.854 -1.286 251 1HB PHE 33 1HB PHE 33 5.224 -4.382 -3.843 252 2HB PHE 33 2HB PHE 33 5.559 -5.916 -3.712 253 HD1 PHE 33 1HD PHE 33 3.139 -7.358 -3.022 254 HD2 PHE 33 2HD PHE 33 3.221 -3.308 -4.590 255 HE1 PHE 33 1HE PHE 33 0.854 -7.699 -3.770 256 HE2 PHE 33 2HE PHE 33 0.857 -3.569 -5.025 257 HZ PHE 33 HZ PHE 33 -0.383 -5.691 -4.607 258 H THR 34 H THR 34 5.972 -6.940 -0.388 259 HA THR 34 HA THR 34 8.606 -5.943 -0.052 260 HB THR 34 HB THR 34 7.281 -4.373 1.341 261 HG1 THR 34 1HG THR 34 8.751 -6.224 2.760 262 1HG2 THR 34 1HG2 THR 34 5.391 -6.090 2.354 263 2HG2 THR 34 2HG2 THR 34 6.692 -6.666 3.291 264 3HG2 THR 34 3HG2 THR 34 6.175 -5.013 3.558 265 H ALA 35 H ALA 35 9.564 -7.528 1.019 266 HA ALA 35 HA ALA 35 8.363 -10.249 1.222 267 1HB ALA 35 1HB ALA 35 10.655 -9.459 -0.310 268 2HB ALA 35 2HB ALA 35 11.356 -9.784 1.293 269 3HB ALA 35 3HB ALA 35 10.448 -11.036 0.467 270 H SER 36 H SER 36 8.895 -11.287 3.010 271 HA SER 36 HA SER 36 8.838 -10.059 5.807 272 1HB SER 36 1HB SER 36 8.339 -12.529 5.363 273 2HB SER 36 2HB SER 36 10.060 -12.954 5.568 274 HG SER 36 HG SER 36 9.874 -11.934 7.536 275 H TRP 37 H TRP 37 11.669 -11.304 4.072 276 HA TRP 37 HA TRP 37 13.767 -10.192 5.793 277 1HB TRP 37 1HB TRP 37 15.323 -10.866 4.022 278 2HB TRP 37 2HB TRP 37 14.156 -12.157 4.515 279 HD1 TRP 37 HD TRP 37 12.021 -12.722 2.702 280 HE1 TRP 37 1HE TRP 37 11.938 -12.948 0.120 281 HE3 TRP 37 3HE TRP 37 15.916 -9.614 1.730 282 HZ2 TRP 37 2HZ TRP 37 13.540 -11.905 -1.990 283 HZ3 TRP 37 3HZ TRP 37 16.761 -9.339 -0.616 284 HH2 TRP 37 HH TRP 37 15.525 -10.347 -2.451 285 H CYS 38 H CYS 38 13.160 -7.930 6.000 286 HA CYS 38 HA CYS 38 14.372 -6.028 4.056 287 1HB CYS 38 1HB CYS 38 12.311 -6.383 2.783 288 2HB CYS 38 2HB CYS 38 11.344 -5.745 4.121 289 HG CYS 38 HG CYS 38 12.141 -4.145 2.051 290 HA PRO 39 HA PRO 39 14.629 -4.704 8.572 291 1HB PRO 39 1HB PRO 39 17.209 -3.904 7.433 292 2HB PRO 39 2HB PRO 39 16.851 -4.590 8.998 293 1HG PRO 39 1HG PRO 39 18.034 -6.010 7.045 294 2HG PRO 39 2HG PRO 39 16.795 -6.752 8.180 295 1HD PRO 39 1HD PRO 39 16.470 -5.975 5.301 296 2HD PRO 39 2HD PRO 39 15.729 -7.323 6.158 297 HA PRO 40 HA PRO 40 14.930 -0.098 6.553 298 1HB PRO 40 1HB PRO 40 14.244 -0.590 3.650 299 2HB PRO 40 2HB PRO 40 15.261 0.646 4.319 300 1HG PRO 40 1HG PRO 40 16.531 -1.562 3.323 301 2HG PRO 40 2HG PRO 40 17.165 -0.613 4.680 302 1HD PRO 40 1HD PRO 40 15.765 -3.472 4.772 303 2HD PRO 40 2HD PRO 40 16.995 -2.891 5.747 304 H CYS 41 H CYS 41 12.571 -2.144 4.492 305 HA CYS 41 HA CYS 41 10.369 -0.960 5.453 306 1HB CYS 41 1HB CYS 41 10.346 -3.811 4.518 307 2HB CYS 41 2HB CYS 41 8.927 -2.946 4.919 308 HG CYS 41 HG CYS 41 9.214 -2.877 2.274 309 H LYS 42 H LYS 42 12.129 -2.988 7.486 310 HA LYS 42 HA LYS 42 10.167 -3.887 9.486 311 1HB LYS 42 1HB LYS 42 12.714 -4.695 9.429 312 2HB LYS 42 2HB LYS 42 13.073 -3.183 10.255 313 1HG LYS 42 1HG LYS 42 11.248 -3.877 12.029 314 2HG LYS 42 2HG LYS 42 11.355 -5.499 11.155 315 1HD LYS 42 1HD LYS 42 13.882 -5.420 11.639 316 2HD LYS 42 2HD LYS 42 13.608 -3.884 12.565 317 1HE LYS 42 1HE LYS 42 13.488 -5.450 14.260 318 2HE LYS 42 2HE LYS 42 11.808 -5.112 14.086 319 1HZ LYS 42 1HZ LYS 42 12.691 -7.568 14.176 320 2HZ LYS 42 2HZ LYS 42 11.599 -7.313 12.978 321 H MET 43 H MET 43 12.443 -1.247 9.292 322 HA MET 43 HA MET 43 10.836 0.544 11.169 323 1HB MET 43 1HB MET 43 12.433 2.202 11.144 324 2HB MET 43 2HB MET 43 13.443 0.803 10.999 325 1HG MET 43 1HG MET 43 13.537 1.162 8.495 326 2HG MET 43 2HG MET 43 12.729 2.811 8.638 327 1HE MET 43 1HE MET 43 15.564 2.558 7.409 328 2HE MET 43 2HE MET 43 16.901 3.049 8.403 329 3HE MET 43 3HE MET 43 16.357 1.340 8.388 330 H ILE 44 H ILE 44 10.857 0.503 7.638 331 HA ILE 44 HA ILE 44 8.849 2.604 7.457 332 HB ILE 44 HB ILE 44 10.086 1.135 5.326 333 1HG1 ILE 44 1HG1 ILE 44 8.888 2.637 3.864 334 2HG1 ILE 44 2HG1 ILE 44 7.803 3.277 5.255 335 1HG2 ILE 44 1HG2 ILE 44 7.040 0.664 4.836 336 2HG2 ILE 44 2HG2 ILE 44 8.404 0.155 3.879 337 3HG2 ILE 44 3HG2 ILE 44 8.225 -0.550 5.380 338 1HD1 ILE 44 1HD1 ILE 44 10.914 3.588 5.206 339 2HD1 ILE 44 2HD1 ILE 44 9.665 4.765 4.826 340 3HD1 ILE 44 3HD1 ILE 44 9.784 4.037 6.463 341 H ALA 45 H ALA 45 8.253 -0.662 8.186 342 HA ALA 45 HA ALA 45 5.351 -0.505 8.049 343 1HB ALA 45 1HB ALA 45 6.855 -2.298 9.924 344 2HB ALA 45 2HB ALA 45 5.094 -2.486 9.355 345 3HB ALA 45 3HB ALA 45 6.485 -2.737 8.263 346 HA PRO 46 HA PRO 46 5.207 1.574 12.486 347 1HB PRO 46 1HB PRO 46 8.051 2.541 12.636 348 2HB PRO 46 2HB PRO 46 6.915 2.169 13.962 349 1HG PRO 46 1HG PRO 46 8.752 0.452 13.367 350 2HG PRO 46 2HG PRO 46 7.252 -0.318 13.727 351 1HD PRO 46 1HD PRO 46 8.379 0.126 10.946 352 2HD PRO 46 2HD PRO 46 7.384 -1.153 11.551 353 H ILE 47 H ILE 47 7.237 2.953 9.997 354 HA ILE 47 HA ILE 47 5.997 5.679 9.872 355 HB ILE 47 HB ILE 47 7.484 4.273 7.645 356 1HG1 ILE 47 1HG1 ILE 47 8.964 4.719 9.596 357 2HG1 ILE 47 2HG1 ILE 47 9.406 5.684 8.184 358 1HG2 ILE 47 1HG2 ILE 47 6.107 5.833 6.550 359 2HG2 ILE 47 2HG2 ILE 47 6.418 7.156 7.697 360 3HG2 ILE 47 3HG2 ILE 47 7.682 6.560 6.575 361 1HD1 ILE 47 1HD1 ILE 47 9.620 7.100 10.169 362 2HD1 ILE 47 2HD1 ILE 47 8.341 7.702 9.216 363 3HD1 ILE 47 3HD1 ILE 47 7.913 6.654 10.623 364 H PHE 48 H PHE 48 5.264 2.927 7.830 365 HA PHE 48 HA PHE 48 2.902 3.916 6.576 366 1HB PHE 48 1HB PHE 48 4.465 1.746 6.257 367 2HB PHE 48 2HB PHE 48 3.354 0.996 7.466 368 HD1 PHE 48 1HD PHE 48 1.857 -0.272 6.585 369 HD2 PHE 48 2HD PHE 48 3.100 3.104 4.287 370 HE1 PHE 48 1HE PHE 48 0.404 -0.996 4.639 371 HE2 PHE 48 2HE PHE 48 1.784 2.414 2.396 372 HZ PHE 48 HZ PHE 48 0.393 0.353 2.557 373 H ALA 49 H ALA 49 3.027 2.320 9.824 374 HA ALA 49 HA ALA 49 0.252 2.820 10.413 375 1HB ALA 49 1HB ALA 49 1.360 1.085 11.650 376 2HB ALA 49 2HB ALA 49 2.564 2.121 12.333 377 3HB ALA 49 3HB ALA 49 0.899 2.372 12.899 378 H GLU 50 H GLU 50 3.188 4.914 11.496 379 HA GLU 50 HA GLU 50 1.422 6.668 12.841 380 1HB GLU 50 1HB GLU 50 3.961 6.671 13.100 381 2HB GLU 50 2HB GLU 50 4.005 7.562 11.533 382 1HG GLU 50 1HG GLU 50 2.936 9.467 12.708 383 2HG GLU 50 2HG GLU 50 2.433 8.524 14.049 384 HE2 GLU 50 HE GLU 50 6.419 9.378 13.851 385 H LEU 51 H LEU 51 2.524 7.039 9.692 386 HA LEU 51 HA LEU 51 0.767 9.212 8.738 387 1HB LEU 51 1HB LEU 51 2.895 8.507 7.622 388 2HB LEU 51 2HB LEU 51 2.209 6.969 7.386 389 HG LEU 51 HG LEU 51 2.452 8.528 5.514 390 1HD1 LEU 51 1HD1 LEU 51 0.635 7.440 4.243 391 2HD1 LEU 51 2HD1 LEU 51 1.435 6.279 5.373 392 3HD1 LEU 51 3HD1 LEU 51 -0.165 6.882 5.760 393 1HD2 LEU 51 1HD2 LEU 51 0.986 10.431 6.535 394 2HD2 LEU 51 2HD2 LEU 51 0.608 9.921 4.834 395 3HD2 LEU 51 3HD2 LEU 51 -0.396 9.448 6.261 396 H ALA 52 H ALA 52 -0.181 5.793 8.887 397 HA ALA 52 HA ALA 52 -2.869 6.111 7.749 398 1HB ALA 52 1HB ALA 52 -1.673 3.793 8.356 399 2HB ALA 52 2HB ALA 52 -2.014 4.190 10.027 400 3HB ALA 52 3HB ALA 52 -3.431 4.015 8.858 401 H LYS 53 H LYS 53 -1.547 6.350 10.975 402 HA LYS 53 HA LYS 53 -4.066 7.427 12.343 403 1HB LYS 53 1HB LYS 53 -1.040 7.643 13.069 404 2HB LYS 53 2HB LYS 53 -2.330 8.245 14.024 405 1HG LYS 53 1HG LYS 53 -3.263 5.802 14.250 406 2HG LYS 53 2HG LYS 53 -1.993 5.093 13.251 407 1HD LYS 53 1HD LYS 53 -0.264 6.344 14.735 408 2HD LYS 53 2HD LYS 53 -1.498 6.693 15.863 409 1HE LYS 53 1HE LYS 53 -2.002 4.150 16.189 410 2HE LYS 53 2HE LYS 53 -0.974 3.732 14.857 411 1HZ LYS 53 1HZ LYS 53 -0.239 4.160 17.514 412 2HZ LYS 53 2HZ LYS 53 0.753 3.719 16.350 413 H LYS 54 H LYS 54 -1.677 9.236 10.302 414 HA LYS 54 HA LYS 54 -2.335 11.751 11.462 415 1HB LYS 54 1HB LYS 54 -0.065 10.980 10.787 416 2HB LYS 54 2HB LYS 54 -0.623 10.778 9.135 417 1HG LYS 54 1HG LYS 54 -1.155 13.314 9.103 418 2HG LYS 54 2HG LYS 54 -0.338 13.316 10.696 419 1HD LYS 54 1HD LYS 54 0.893 12.457 8.071 420 2HD LYS 54 2HD LYS 54 1.168 14.059 8.664 421 1HE LYS 54 1HE LYS 54 2.530 13.083 10.615 422 2HE LYS 54 2HE LYS 54 2.159 11.396 10.043 423 1HZ LYS 54 1HZ LYS 54 4.339 12.407 9.379 424 2HZ LYS 54 2HZ LYS 54 3.369 11.863 8.125 425 H PHE 55 H PHE 55 -3.321 9.746 8.892 426 HA PHE 55 HA PHE 55 -4.966 11.755 7.396 427 1HB PHE 55 1HB PHE 55 -3.018 9.593 6.553 428 2HB PHE 55 2HB PHE 55 -4.136 10.096 5.362 429 HD1 PHE 55 1HD PHE 55 -1.417 11.573 7.287 430 HD2 PHE 55 2HD PHE 55 -4.240 12.013 4.151 431 HE1 PHE 55 1HE PHE 55 -0.358 13.857 6.526 432 HE2 PHE 55 2HE PHE 55 -3.200 14.160 3.462 433 HZ PHE 55 HZ PHE 55 -1.260 14.983 4.682 434 HA PRO 56 HA PRO 56 -8.370 8.645 8.491 435 1HB PRO 56 1HB PRO 56 -10.455 10.126 8.353 436 2HB PRO 56 2HB PRO 56 -9.177 10.046 9.653 437 1HG PRO 56 1HG PRO 56 -9.547 12.030 7.385 438 2HG PRO 56 2HG PRO 56 -9.165 12.408 9.128 439 1HD PRO 56 1HD PRO 56 -7.093 12.236 7.021 440 2HD PRO 56 2HD PRO 56 -6.855 12.131 8.829 441 H ASN 57 H ASN 57 -7.934 9.635 5.226 442 HA ASN 57 HA ASN 57 -10.524 8.972 4.038 443 1HB ASN 57 1HB ASN 57 -9.752 10.446 2.136 444 2HB ASN 57 2HB ASN 57 -9.877 11.325 3.717 445 1HD2 ASN 57 2HD2 ASN 57 -8.023 12.843 4.016 446 2HD2 ASN 57 1HD2 ASN 57 -6.360 12.359 3.577 447 H VAL 58 H VAL 58 -7.802 7.552 4.737 448 HA VAL 58 HA VAL 58 -7.591 5.992 2.127 449 HB VAL 58 HB VAL 58 -6.180 7.908 2.023 450 1HG1 VAL 58 1HG1 VAL 58 -4.707 7.593 4.722 451 2HG1 VAL 58 2HG1 VAL 58 -4.508 8.690 3.413 452 3HG1 VAL 58 3HG1 VAL 58 -6.015 8.790 4.379 453 1HG2 VAL 58 1HG2 VAL 58 -5.095 6.002 1.201 454 2HG2 VAL 58 2HG2 VAL 58 -3.942 7.163 1.867 455 3HG2 VAL 58 3HG2 VAL 58 -4.257 5.772 2.850 456 H THR 59 H THR 59 -7.789 3.944 2.424 457 HA THR 59 HA THR 59 -7.040 2.330 4.841 458 HB THR 59 HB THR 59 -8.100 1.862 2.062 459 HG1 THR 59 1HG THR 59 -9.249 2.663 3.597 460 1HG2 THR 59 1HG2 THR 59 -7.425 -0.442 3.950 461 2HG2 THR 59 2HG2 THR 59 -8.694 -0.611 2.592 462 3HG2 THR 59 3HG2 THR 59 -7.024 -0.345 2.239 463 H PHE 60 H PHE 60 -5.400 0.882 4.892 464 HA PHE 60 HA PHE 60 -3.161 0.940 2.905 465 1HB PHE 60 1HB PHE 60 -3.034 1.407 6.162 466 2HB PHE 60 2HB PHE 60 -1.632 1.062 5.126 467 HD1 PHE 60 1HD PHE 60 -1.084 2.810 3.227 468 HD2 PHE 60 2HD PHE 60 -4.083 3.431 6.164 469 HE1 PHE 60 1HE PHE 60 -0.751 5.336 2.932 470 HE2 PHE 60 2HE PHE 60 -3.874 6.042 5.732 471 HZ PHE 60 HZ PHE 60 -2.252 6.847 4.311 472 H LEU 61 H LEU 61 -2.292 -0.832 2.427 473 HA LEU 61 HA LEU 61 -2.445 -3.243 4.263 474 1HB LEU 61 1HB LEU 61 -3.700 -4.538 3.026 475 2HB LEU 61 2HB LEU 61 -4.644 -3.180 2.968 476 HG LEU 61 HG LEU 61 -3.270 -3.014 0.383 477 1HD1 LEU 61 1HD1 LEU 61 -3.891 -6.011 0.896 478 2HD1 LEU 61 2HD1 LEU 61 -3.195 -5.456 -0.533 479 3HD1 LEU 61 3HD1 LEU 61 -2.345 -5.470 1.164 480 1HD2 LEU 61 1HD2 LEU 61 -5.696 -2.873 0.826 481 2HD2 LEU 61 2HD2 LEU 61 -5.292 -3.987 -0.564 482 3HD2 LEU 61 3HD2 LEU 61 -5.873 -4.645 0.954 483 H LYS 62 H LYS 62 -1.338 -4.883 3.733 484 HA LYS 62 HA LYS 62 1.349 -4.406 2.350 485 1HB LYS 62 1HB LYS 62 2.747 -4.564 4.263 486 2HB LYS 62 2HB LYS 62 1.700 -3.127 4.382 487 1HG LYS 62 1HG LYS 62 0.141 -4.149 6.013 488 2HG LYS 62 2HG LYS 62 1.061 -5.631 6.104 489 1HD LYS 62 1HD LYS 62 2.391 -2.999 7.110 490 2HD LYS 62 2HD LYS 62 1.740 -4.153 8.036 491 1HE LYS 62 1HE LYS 62 4.125 -4.875 6.278 492 2HE LYS 62 2HE LYS 62 4.279 -4.234 7.781 493 1HZ LYS 62 1HZ LYS 62 2.552 -6.709 7.484 494 2HZ LYS 62 2HZ LYS 62 3.223 -6.279 8.886 495 H VAL 63 H VAL 63 1.931 -5.850 1.753 496 HA VAL 63 HA VAL 63 1.041 -8.683 1.932 497 HB VAL 63 HB VAL 63 1.882 -7.203 -0.653 498 1HG1 VAL 63 1HG1 VAL 63 -0.014 -9.555 -0.342 499 2HG1 VAL 63 2HG1 VAL 63 0.720 -8.731 -1.832 500 3HG1 VAL 63 3HG1 VAL 63 1.847 -9.666 -0.733 501 1HG2 VAL 63 1HG2 VAL 63 -0.947 -7.385 0.391 502 2HG2 VAL 63 2HG2 VAL 63 -0.086 -5.907 0.294 503 3HG2 VAL 63 3HG2 VAL 63 -0.427 -6.761 -1.145 504 H ASP 64 H ASP 64 2.383 -10.091 2.306 505 HA ASP 64 HA ASP 64 5.243 -10.496 1.986 506 1HB ASP 64 1HB ASP 64 3.923 -11.744 3.440 507 2HB ASP 64 2HB ASP 64 3.143 -12.668 2.196 508 HD2 ASP 64 HD ASP 64 6.989 -13.495 3.283 509 H VAL 65 H VAL 65 5.741 -9.875 -0.135 510 HA VAL 65 HA VAL 65 4.649 -10.693 -2.665 511 HB VAL 65 HB VAL 65 6.053 -8.658 -2.180 512 1HG1 VAL 65 1HG1 VAL 65 8.049 -9.724 -1.068 513 2HG1 VAL 65 2HG1 VAL 65 8.475 -10.767 -2.475 514 3HG1 VAL 65 3HG1 VAL 65 8.766 -9.066 -2.554 515 1HG2 VAL 65 1HG2 VAL 65 5.598 -9.469 -4.549 516 2HG2 VAL 65 2HG2 VAL 65 6.800 -8.252 -4.150 517 3HG2 VAL 65 3HG2 VAL 65 7.142 -10.110 -4.573 518 H ASP 66 H ASP 66 7.067 -12.592 -0.763 519 HA ASP 66 HA ASP 66 7.767 -14.281 -2.965 520 1HB ASP 66 1HB ASP 66 7.714 -14.865 0.064 521 2HB ASP 66 2HB ASP 66 8.348 -16.048 -1.041 522 HD2 ASP 66 HD ASP 66 11.381 -14.425 -0.845 523 H GLU 67 H GLU 67 5.094 -14.492 -0.829 524 HA GLU 67 HA GLU 67 3.704 -16.735 -2.067 525 1HB GLU 67 1HB GLU 67 2.630 -14.404 -0.167 526 2HB GLU 67 2HB GLU 67 1.639 -15.824 -0.542 527 1HG GLU 67 1HG GLU 67 3.271 -17.410 0.379 528 2HG GLU 67 2HG GLU 67 4.274 -16.112 0.926 529 HE2 GLU 67 HE GLU 67 1.006 -17.180 2.911 530 H LEU 68 H LEU 68 3.898 -13.550 -3.066 531 HA LEU 68 HA LEU 68 1.653 -13.668 -5.074 532 1HB LEU 68 1HB LEU 68 1.662 -11.569 -2.788 533 2HB LEU 68 2HB LEU 68 0.851 -11.451 -4.320 534 HG LEU 68 HG LEU 68 0.211 -13.547 -2.049 535 1HD1 LEU 68 1HD1 LEU 68 -1.868 -12.156 -1.832 536 2HD1 LEU 68 2HD1 LEU 68 -0.464 -11.265 -1.437 537 3HD1 LEU 68 3HD1 LEU 68 -1.186 -10.880 -2.908 538 1HD2 LEU 68 1HD2 LEU 68 -1.343 -13.058 -4.745 539 2HD2 LEU 68 2HD2 LEU 68 -0.765 -14.616 -4.248 540 3HD2 LEU 68 3HD2 LEU 68 -2.057 -14.009 -3.359 541 H LYS 69 H LYS 69 3.612 -13.762 -6.020 542 HA LYS 69 HA LYS 69 5.149 -11.323 -6.609 543 1HB LYS 69 1HB LYS 69 7.017 -12.595 -7.627 544 2HB LYS 69 2HB LYS 69 6.757 -12.902 -6.000 545 1HG LYS 69 1HG LYS 69 5.529 -15.144 -6.681 546 2HG LYS 69 2HG LYS 69 5.702 -14.730 -8.297 547 1HD LYS 69 1HD LYS 69 7.472 -15.983 -8.151 548 2HD LYS 69 2HD LYS 69 8.431 -14.731 -7.704 549 1HE LYS 69 1HE LYS 69 7.386 -15.266 -5.151 550 2HE LYS 69 2HE LYS 69 7.590 -16.815 -5.675 551 1HZ LYS 69 1HZ LYS 69 9.624 -16.062 -4.600 552 2HZ LYS 69 2HZ LYS 69 10.106 -16.325 -6.055 553 H ALA 70 H ALA 70 3.176 -13.730 -8.267 554 HA ALA 70 HA ALA 70 3.511 -12.709 -11.061 555 1HB ALA 70 1HB ALA 70 1.555 -14.031 -11.682 556 2HB ALA 70 2HB ALA 70 2.798 -14.937 -10.772 557 3HB ALA 70 3HB ALA 70 1.368 -14.560 -10.022 558 H VAL 71 H VAL 71 0.753 -12.352 -8.914 559 HA VAL 71 HA VAL 71 -0.425 -9.837 -9.960 560 HB VAL 71 HB VAL 71 -1.534 -11.392 -8.294 561 1HG1 VAL 71 1HG1 VAL 71 -1.135 -11.222 -5.926 562 2HG1 VAL 71 2HG1 VAL 71 0.553 -11.313 -6.634 563 3HG1 VAL 71 3HG1 VAL 71 -0.150 -9.731 -6.159 564 1HG2 VAL 71 1HG2 VAL 71 -2.645 -9.514 -7.187 565 2HG2 VAL 71 2HG2 VAL 71 -1.461 -8.412 -7.903 566 3HG2 VAL 71 3HG2 VAL 71 -2.440 -9.341 -8.964 567 H ALA 72 H ALA 72 2.302 -9.827 -7.406 568 HA ALA 72 HA ALA 72 2.243 -7.080 -6.968 569 1HB ALA 72 1HB ALA 72 4.828 -8.687 -7.139 570 2HB ALA 72 2HB ALA 72 4.575 -7.046 -6.426 571 3HB ALA 72 3HB ALA 72 3.824 -8.550 -5.690 572 H GLU 73 H GLU 73 3.856 -8.921 -9.431 573 HA GLU 73 HA GLU 73 5.161 -6.781 -10.736 574 1HB GLU 73 1HB GLU 73 4.289 -9.547 -11.923 575 2HB GLU 73 2HB GLU 73 5.362 -8.588 -12.805 576 1HG GLU 73 1HG GLU 73 7.120 -8.816 -10.804 577 2HG GLU 73 2HG GLU 73 5.969 -9.950 -10.134 578 HE2 GLU 73 HE GLU 73 7.197 -9.279 -13.110 579 H GLU 74 H GLU 74 2.067 -8.509 -11.274 580 HA GLU 74 HA GLU 74 1.265 -6.946 -13.674 581 1HB GLU 74 1HB GLU 74 -0.627 -8.120 -13.611 582 2HB GLU 74 2HB GLU 74 0.222 -9.236 -12.567 583 1HG GLU 74 1HG GLU 74 -1.220 -8.203 -10.681 584 2HG GLU 74 2HG GLU 74 -2.013 -7.226 -11.903 585 HE2 GLU 74 HE GLU 74 -3.598 -7.801 -12.694 586 H TRP 75 H TRP 75 0.752 -5.867 -10.381 587 HA TRP 75 HA TRP 75 -0.689 -3.342 -11.176 588 1HB TRP 75 1HB TRP 75 0.418 -3.563 -8.484 589 2HB TRP 75 2HB TRP 75 -0.831 -2.553 -9.149 590 HD1 TRP 75 HD TRP 75 -0.568 -5.109 -6.822 591 HE1 TRP 75 1HE TRP 75 -2.367 -7.073 -6.695 592 HE3 TRP 75 3HE TRP 75 -2.867 -4.007 -11.031 593 HZ2 TRP 75 2HZ TRP 75 -4.475 -7.732 -8.360 594 HZ3 TRP 75 3HZ TRP 75 -5.104 -4.902 -11.614 595 HH2 TRP 75 HH TRP 75 -5.618 -7.124 -10.523 596 H ASN 76 H ASN 76 2.628 -4.102 -10.268 597 HA ASN 76 HA ASN 76 4.098 -3.394 -12.058 598 1HB ASN 76 1HB ASN 76 2.710 -1.590 -12.920 599 2HB ASN 76 2HB ASN 76 3.400 -0.449 -11.696 600 1HD2 ASN 76 1HD2 ASN 76 4.105 -2.501 -14.452 601 2HD2 ASN 76 2HD2 ASN 76 5.632 -1.710 -15.095 602 H VAL 77 H VAL 77 5.151 -4.659 -10.690 603 HA VAL 77 HA VAL 77 7.296 -3.354 -9.070 604 HB VAL 77 HB VAL 77 5.865 -6.013 -8.304 605 1HG1 VAL 77 1HG1 VAL 77 6.719 -5.751 -6.211 606 2HG1 VAL 77 2HG1 VAL 77 8.080 -5.902 -7.378 607 3HG1 VAL 77 3HG1 VAL 77 7.704 -4.254 -6.499 608 1HG2 VAL 77 1HG2 VAL 77 5.443 -3.239 -6.958 609 2HG2 VAL 77 2HG2 VAL 77 4.239 -3.892 -8.045 610 3HG2 VAL 77 3HG2 VAL 77 4.754 -4.823 -6.536 611 H GLU 78 H GLU 78 9.000 -3.963 -9.597 612 HA GLU 78 HA GLU 78 9.921 -6.395 -10.802 613 1HB GLU 78 1HB GLU 78 11.515 -5.629 -12.098 614 2HB GLU 78 2HB GLU 78 10.167 -4.617 -12.419 615 1HG GLU 78 1HG GLU 78 10.972 -2.768 -11.128 616 2HG GLU 78 2HG GLU 78 12.521 -3.661 -10.778 617 HE2 GLU 78 HE GLU 78 13.858 -2.708 -11.682 618 H ALA 79 H ALA 79 10.182 -4.274 -7.951 619 HA ALA 79 HA ALA 79 12.572 -5.547 -6.925 620 1HB ALA 79 1HB ALA 79 12.623 -2.495 -7.802 621 2HB ALA 79 2HB ALA 79 13.857 -3.160 -6.874 622 3HB ALA 79 3HB ALA 79 13.473 -3.925 -8.540 623 H MET 80 H MET 80 12.771 -5.359 -4.877 624 HA MET 80 HA MET 80 10.574 -4.368 -3.186 625 1HB MET 80 1HB MET 80 13.267 -5.746 -2.378 626 2HB MET 80 2HB MET 80 12.053 -5.099 -1.261 627 1HG MET 80 1HG MET 80 11.466 -7.232 -3.401 628 2HG MET 80 2HG MET 80 11.683 -7.442 -1.536 629 1HE MET 80 1HE MET 80 8.887 -7.074 -4.193 630 2HE MET 80 2HE MET 80 7.616 -6.378 -3.254 631 3HE MET 80 3HE MET 80 8.845 -5.348 -3.830 632 HA PRO 81 HA PRO 81 9.506 -2.755 -2.860 633 1HB PRO 81 1HB PRO 81 8.884 -2.639 -0.212 634 2HB PRO 81 2HB PRO 81 10.108 -3.779 -0.793 635 1HG PRO 81 1HG PRO 81 10.356 -0.925 0.377 636 2HG PRO 81 2HG PRO 81 11.415 -2.534 0.636 637 1HD PRO 81 1HD PRO 81 11.722 -0.197 -1.238 638 2HD PRO 81 2HD PRO 81 12.886 -1.592 -0.887 639 H THR 82 H THR 82 7.813 -2.288 -2.762 640 HA THR 82 HA THR 82 7.438 0.556 -3.876 641 HB THR 82 HB THR 82 6.384 -2.057 -5.136 642 HG1 THR 82 1HG THR 82 8.414 -2.540 -5.790 643 1HG2 THR 82 1HG2 THR 82 6.288 -0.679 -7.370 644 2HG2 THR 82 2HG2 THR 82 5.276 -0.083 -6.204 645 3HG2 THR 82 3HG2 THR 82 6.957 0.719 -6.476 646 H PHE 83 H PHE 83 5.696 1.656 -3.682 647 HA PHE 83 HA PHE 83 3.288 0.794 -2.065 648 1HB PHE 83 1HB PHE 83 4.726 3.485 -2.551 649 2HB PHE 83 2HB PHE 83 3.230 3.218 -1.581 650 HD1 PHE 83 1HD PHE 83 7.025 3.405 -1.214 651 HD2 PHE 83 2HD PHE 83 3.350 1.644 0.231 652 HE1 PHE 83 1HE PHE 83 8.139 2.538 0.644 653 HE2 PHE 83 2HE PHE 83 4.535 0.937 2.322 654 HZ PHE 83 HZ PHE 83 7.021 1.710 2.432 655 H ILE 84 H ILE 84 1.770 0.451 -3.658 656 HA ILE 84 HA ILE 84 1.435 1.889 -6.148 657 HB ILE 84 HB ILE 84 1.219 -0.869 -5.178 658 1HG1 ILE 84 1HG1 ILE 84 1.733 -0.188 -8.133 659 2HG1 ILE 84 2HG1 ILE 84 2.790 0.520 -6.995 660 1HG2 ILE 84 1HG2 ILE 84 -0.498 0.170 -7.524 661 2HG2 ILE 84 2HG2 ILE 84 -0.570 -1.486 -6.870 662 3HG2 ILE 84 3HG2 ILE 84 -1.381 -0.152 -5.969 663 1HD1 ILE 84 1HD1 ILE 84 3.719 -1.563 -7.742 664 2HD1 ILE 84 2HD1 ILE 84 3.589 -1.431 -5.955 665 3HD1 ILE 84 3HD1 ILE 84 2.523 -2.434 -6.815 666 H PHE 85 H PHE 85 -0.261 3.036 -6.427 667 HA PHE 85 HA PHE 85 -2.152 3.722 -4.191 668 1HB PHE 85 1HB PHE 85 -0.843 5.309 -6.415 669 2HB PHE 85 2HB PHE 85 -2.095 6.025 -5.552 670 HD1 PHE 85 1HD PHE 85 1.512 4.865 -5.138 671 HD2 PHE 85 2HD PHE 85 -1.703 7.299 -3.542 672 HE1 PHE 85 1HE PHE 85 2.913 5.536 -2.986 673 HE2 PHE 85 2HE PHE 85 -0.374 7.822 -1.566 674 HZ PHE 85 HZ PHE 85 1.782 6.737 -1.280 675 H LEU 86 H LEU 86 -3.855 2.680 -4.622 676 HA LEU 86 HA LEU 86 -5.128 2.781 -7.348 677 1HB LEU 86 1HB LEU 86 -3.983 0.607 -6.153 678 2HB LEU 86 2HB LEU 86 -5.255 0.701 -5.067 679 HG LEU 86 HG LEU 86 -6.115 -0.930 -6.141 680 1HD1 LEU 86 1HD1 LEU 86 -7.984 -0.574 -7.668 681 2HD1 LEU 86 2HD1 LEU 86 -7.946 0.625 -6.473 682 3HD1 LEU 86 3HD1 LEU 86 -7.278 1.128 -8.073 683 1HD2 LEU 86 1HD2 LEU 86 -4.970 -0.288 -8.864 684 2HD2 LEU 86 2HD2 LEU 86 -3.966 -1.158 -7.548 685 3HD2 LEU 86 3HD2 LEU 86 -5.535 -1.812 -8.167 686 H LYS 87 H LYS 87 -6.811 3.981 -7.010 687 HA LYS 87 HA LYS 87 -8.335 4.619 -4.438 688 1HB LYS 87 1HB LYS 87 -6.945 6.347 -5.927 689 2HB LYS 87 2HB LYS 87 -8.093 6.164 -7.244 690 1HG LYS 87 1HG LYS 87 -9.755 7.292 -5.715 691 2HG LYS 87 2HG LYS 87 -8.817 7.077 -4.294 692 1HD LYS 87 1HD LYS 87 -7.492 8.846 -4.630 693 2HD LYS 87 2HD LYS 87 -7.435 8.786 -6.282 694 1HE LYS 87 1HE LYS 87 -8.889 10.698 -5.497 695 2HE LYS 87 2HE LYS 87 -10.104 9.434 -6.038 696 1HZ LYS 87 1HZ LYS 87 -9.118 9.813 -3.250 697 2HZ LYS 87 2HZ LYS 87 -10.384 10.603 -3.752 698 H ASP 88 H ASP 88 -10.708 4.987 -4.973 699 HA ASP 88 HA ASP 88 -12.120 3.308 -6.941 700 1HB ASP 88 1HB ASP 88 -13.993 4.786 -6.415 701 2HB ASP 88 2HB ASP 88 -13.219 4.305 -4.874 702 HD2 ASP 88 HD ASP 88 -12.608 7.817 -4.527 703 H GLY 89 H GLY 89 -10.169 3.929 -8.484 704 1HA GLY 89 1HA GLY 89 -11.564 4.747 -10.946 705 2HA GLY 89 2HA GLY 89 -10.368 6.068 -10.426 706 H LYS 90 H LYS 90 -9.962 2.692 -9.948 707 HA LYS 90 HA LYS 90 -8.161 1.142 -10.396 708 1HB LYS 90 1HB LYS 90 -9.326 1.435 -12.743 709 2HB LYS 90 2HB LYS 90 -7.756 2.139 -13.224 710 1HG LYS 90 1HG LYS 90 -6.851 0.020 -12.861 711 2HG LYS 90 2HG LYS 90 -8.050 -0.609 -11.856 712 1HD LYS 90 1HD LYS 90 -8.637 -0.044 -14.763 713 2HD LYS 90 2HD LYS 90 -7.895 -1.514 -14.292 714 1HE LYS 90 1HE LYS 90 -9.792 -2.316 -12.959 715 2HE LYS 90 2HE LYS 90 -10.651 -0.772 -13.375 716 1HZ LYS 90 1HZ LYS 90 -9.734 -2.498 -15.628 717 2HZ LYS 90 2HZ LYS 90 -10.944 -1.341 -15.610 718 H LEU 91 H LEU 91 -5.720 1.081 -11.634 719 HA LEU 91 HA LEU 91 -3.838 2.043 -9.750 720 1HB LEU 91 1HB LEU 91 -3.614 0.251 -11.741 721 2HB LEU 91 2HB LEU 91 -3.521 1.567 -12.812 722 HG LEU 91 HG LEU 91 -1.424 2.450 -11.768 723 1HD1 LEU 91 1HD1 LEU 91 -0.077 0.922 -10.277 724 2HD1 LEU 91 2HD1 LEU 91 -1.384 1.866 -9.455 725 3HD1 LEU 91 3HD1 LEU 91 -1.595 0.097 -9.807 726 1HD2 LEU 91 1HD2 LEU 91 0.034 0.702 -12.686 727 2HD2 LEU 91 2HD2 LEU 91 -1.253 -0.588 -12.271 728 3HD2 LEU 91 3HD2 LEU 91 -1.462 0.635 -13.707 729 H VAL 92 H VAL 92 -4.212 4.221 -9.415 730 HA VAL 92 HA VAL 92 -3.673 6.369 -11.298 731 HB VAL 92 HB VAL 92 -3.746 7.910 -9.375 732 1HG1 VAL 92 1HG1 VAL 92 -6.250 7.798 -9.175 733 2HG1 VAL 92 2HG1 VAL 92 -5.614 7.578 -10.708 734 3HG1 VAL 92 3HG1 VAL 92 -6.154 6.138 -9.776 735 1HG2 VAL 92 1HG2 VAL 92 -4.841 5.684 -7.481 736 2HG2 VAL 92 2HG2 VAL 92 -3.127 6.281 -7.534 737 3HG2 VAL 92 3HG2 VAL 92 -4.476 7.340 -7.076 738 H ASP 93 H ASP 93 -1.333 5.063 -8.534 739 HA ASP 93 HA ASP 93 0.872 5.496 -10.448 740 1HB ASP 93 1HB ASP 93 0.002 7.920 -9.060 741 2HB ASP 93 2HB ASP 93 1.142 7.492 -8.114 742 HD2 ASP 93 HD ASP 93 0.019 8.624 -11.061 743 H LYS 94 H LYS 94 3.060 5.684 -9.228 744 HA LYS 94 HA LYS 94 3.363 3.766 -7.104 745 1HB LYS 94 1HB LYS 94 4.636 2.051 -8.262 746 2HB LYS 94 2HB LYS 94 3.030 2.078 -8.604 747 1HG LYS 94 1HG LYS 94 5.401 2.707 -10.507 748 2HG LYS 94 2HG LYS 94 4.258 1.521 -10.478 749 1HD LYS 94 1HD LYS 94 3.585 4.420 -11.293 750 2HD LYS 94 2HD LYS 94 4.218 3.157 -12.398 751 1HE LYS 94 1HE LYS 94 2.094 1.868 -11.794 752 2HE LYS 94 2HE LYS 94 1.597 3.308 -10.910 753 1HZ LYS 94 1HZ LYS 94 0.739 3.269 -13.236 754 2HZ LYS 94 2HZ LYS 94 2.143 3.175 -13.917 755 H THR 95 H THR 95 5.282 3.377 -6.455 756 HA THR 95 HA THR 95 7.738 5.070 -6.945 757 HB THR 95 HB THR 95 6.264 5.609 -4.366 758 HG1 THR 95 1HG THR 95 6.529 7.187 -6.536 759 1HG2 THR 95 1HG2 THR 95 8.800 5.673 -4.361 760 2HG2 THR 95 2HG2 THR 95 8.942 6.817 -5.675 761 3HG2 THR 95 3HG2 THR 95 8.183 7.273 -4.157 762 H VAL 96 H VAL 96 8.570 3.042 -7.153 763 HA VAL 96 HA VAL 96 9.135 1.211 -4.751 764 HB VAL 96 HB VAL 96 9.211 0.287 -6.818 765 1HG1 VAL 96 1HG1 VAL 96 9.261 1.982 -8.449 766 2HG1 VAL 96 2HG1 VAL 96 10.915 1.978 -8.400 767 3HG1 VAL 96 3HG1 VAL 96 10.118 0.566 -8.813 768 1HG2 VAL 96 1HG2 VAL 96 10.974 -1.012 -6.605 769 2HG2 VAL 96 2HG2 VAL 96 12.215 0.204 -6.765 770 3HG2 VAL 96 3HG2 VAL 96 11.566 -0.194 -5.308 771 H GLY 97 H GLY 97 9.767 2.420 -3.031 772 1HA GLY 97 1HA GLY 97 12.307 2.630 -2.506 773 2HA GLY 97 2HA GLY 97 11.950 4.384 -3.127 774 H ALA 98 H ALA 98 11.977 2.282 -0.467 775 HA ALA 98 HA ALA 98 10.038 3.475 1.352 776 1HB ALA 98 1HB ALA 98 10.823 1.247 1.721 777 2HB ALA 98 2HB ALA 98 12.490 1.657 1.937 778 3HB ALA 98 3HB ALA 98 11.316 2.276 3.115 779 H ASP 99 H ASP 99 10.181 5.395 2.288 780 HA ASP 99 HA ASP 99 12.801 6.565 3.126 781 1HB ASP 99 1HB ASP 99 12.888 7.130 0.771 782 2HB ASP 99 2HB ASP 99 11.358 8.160 0.941 783 HD2 ASP 99 HD ASP 99 14.891 9.263 2.842 784 H LYS 100 H LYS 100 12.219 7.432 4.918 785 HA LYS 100 HA LYS 100 9.791 7.503 6.389 786 1HB LYS 100 1HB LYS 100 10.751 8.632 8.214 787 2HB LYS 100 2HB LYS 100 11.581 7.247 7.569 788 1HG LYS 100 1HG LYS 100 13.434 8.645 6.555 789 2HG LYS 100 2HG LYS 100 12.690 10.119 6.936 790 1HD LYS 100 1HD LYS 100 12.535 9.438 9.282 791 2HD LYS 100 2HD LYS 100 13.577 8.052 8.957 792 1HE LYS 100 1HE LYS 100 15.398 9.674 8.019 793 2HE LYS 100 2HE LYS 100 14.329 11.011 8.607 794 1HZ LYS 100 1HZ LYS 100 14.447 10.175 10.867 795 2HZ LYS 100 2HZ LYS 100 15.514 9.048 10.452 796 H ASP 101 H ASP 101 11.189 10.292 4.896 797 HA ASP 101 HA ASP 101 8.956 12.137 5.837 798 1HB ASP 101 1HB ASP 101 9.885 13.971 5.279 799 2HB ASP 101 2HB ASP 101 11.096 12.922 6.159 800 HD2 ASP 101 HD ASP 101 12.085 14.128 2.465 801 H GLY 102 H GLY 102 10.307 10.558 2.793 802 1HA GLY 102 1HA GLY 102 8.909 11.615 0.532 803 2HA GLY 102 2HA GLY 102 9.651 10.137 0.759 804 H LEU 103 H LEU 103 8.182 8.533 2.251 805 HA LEU 103 HA LEU 103 5.915 8.062 0.695 806 1HB LEU 103 1HB LEU 103 7.177 6.420 1.904 807 2HB LEU 103 2HB LEU 103 6.890 7.098 3.422 808 HG LEU 103 HG LEU 103 4.530 6.500 3.457 809 1HD1 LEU 103 1HD1 LEU 103 3.558 5.151 1.996 810 2HD1 LEU 103 2HD1 LEU 103 4.050 6.357 0.800 811 3HD1 LEU 103 3HD1 LEU 103 4.973 4.758 1.010 812 1HD2 LEU 103 1HD2 LEU 103 6.076 5.128 4.492 813 2HD2 LEU 103 2HD2 LEU 103 5.016 3.991 3.746 814 3HD2 LEU 103 3HD2 LEU 103 6.716 4.209 3.069 815 HA PRO 104 HA PRO 104 2.962 10.232 3.921 816 1HB PRO 104 1HB PRO 104 5.007 12.247 5.056 817 2HB PRO 104 2HB PRO 104 3.481 11.632 5.761 818 1HG PRO 104 1HG PRO 104 5.905 10.529 6.531 819 2HG PRO 104 2HG PRO 104 4.431 9.461 6.369 820 1HD PRO 104 1HD PRO 104 6.759 10.065 4.392 821 2HD PRO 104 2HD PRO 104 6.101 8.571 4.844 822 H THR 105 H THR 105 5.601 12.059 2.279 823 HA THR 105 HA THR 105 4.274 14.557 1.396 824 HB THR 105 HB THR 105 6.846 13.035 0.377 825 HG1 THR 105 1HG THR 105 7.448 13.952 1.980 826 1HG2 THR 105 1HG2 THR 105 7.293 14.939 -1.115 827 2HG2 THR 105 2HG2 THR 105 5.853 14.267 -1.664 828 3HG2 THR 105 3HG2 THR 105 5.653 15.730 -0.744 829 H LEU 106 H LEU 106 4.723 11.520 -0.037 830 HA LEU 106 HA LEU 106 3.193 11.934 -2.546 831 1HB LEU 106 1HB LEU 106 5.082 10.631 -2.603 832 2HB LEU 106 2HB LEU 106 4.488 9.634 -1.311 833 HG LEU 106 HG LEU 106 2.725 8.697 -2.774 834 1HD1 LEU 106 1HD1 LEU 106 2.747 8.958 -5.165 835 2HD1 LEU 106 2HD1 LEU 106 2.706 10.654 -4.487 836 3HD1 LEU 106 3HD1 LEU 106 4.302 9.928 -5.012 837 1HD2 LEU 106 1HD2 LEU 106 4.122 7.347 -4.167 838 2HD2 LEU 106 2HD2 LEU 106 5.619 8.282 -3.645 839 3HD2 LEU 106 3HD2 LEU 106 4.661 7.413 -2.387 840 H VAL 107 H VAL 107 2.353 10.250 0.379 841 HA VAL 107 HA VAL 107 -0.428 9.686 -0.333 842 HB VAL 107 HB VAL 107 0.947 9.535 2.379 843 1HG1 VAL 107 1HG1 VAL 107 -1.153 10.495 3.113 844 2HG1 VAL 107 2HG1 VAL 107 -2.082 9.432 1.979 845 3HG1 VAL 107 3HG1 VAL 107 -1.235 8.654 3.352 846 1HG2 VAL 107 1HG2 VAL 107 0.253 7.325 2.148 847 2HG2 VAL 107 2HG2 VAL 107 -0.766 7.755 0.793 848 3HG2 VAL 107 3HG2 VAL 107 1.101 7.664 0.561 849 H ALA 108 H ALA 108 0.978 12.517 1.481 850 HA ALA 108 HA ALA 108 -1.421 14.097 1.998 851 1HB ALA 108 1HB ALA 108 0.242 15.981 1.900 852 2HB ALA 108 2HB ALA 108 0.967 14.493 2.803 853 3HB ALA 108 3HB ALA 108 1.506 14.993 1.223 854 H LYS 109 H LYS 109 0.517 13.940 -0.714 855 HA LYS 109 HA LYS 109 -0.587 15.983 -2.625 856 1HB LYS 109 1HB LYS 109 1.469 13.787 -2.995 857 2HB LYS 109 2HB LYS 109 0.880 14.843 -4.329 858 1HG LYS 109 1HG LYS 109 1.494 16.872 -3.048 859 2HG LYS 109 2HG LYS 109 2.074 15.998 -1.650 860 1HD LYS 109 1HD LYS 109 3.943 14.989 -2.801 861 2HD LYS 109 2HD LYS 109 3.234 15.308 -4.459 862 1HE LYS 109 1HE LYS 109 3.572 17.719 -4.199 863 2HE LYS 109 2HE LYS 109 4.007 17.707 -2.517 864 1HZ LYS 109 1HZ LYS 109 6.163 16.777 -3.142 865 2HZ LYS 109 2HZ LYS 109 5.622 16.354 -4.562 866 H HIS 110 H HIS 110 -0.796 12.277 -2.397 867 HA HIS 110 HA HIS 110 -2.881 12.068 -4.556 868 1HB HIS 110 1HB HIS 110 -1.652 10.213 -2.442 869 2HB HIS 110 2HB HIS 110 -3.101 9.700 -3.219 870 HD1 HIS 110 1HD HIS 110 -3.466 9.025 -5.806 871 HD2 HIS 110 2HD HIS 110 0.401 9.923 -4.251 872 HE1 HIS 110 1HE HIS 110 -1.593 8.437 -7.424 873 H ALA 111 H ALA 111 -3.088 12.002 -1.034 874 HA ALA 111 HA ALA 111 -6.037 11.916 -0.642 875 1HB ALA 111 1HB ALA 111 -5.734 12.970 1.598 876 2HB ALA 111 2HB ALA 111 -4.312 11.737 1.256 877 3HB ALA 111 3HB ALA 111 -4.072 13.571 1.089 878 H THR 112 H THR 112 -4.189 14.861 -1.356 879 HA THR 112 HA THR 112 -6.506 16.689 -1.363 880 HB THR 112 HB THR 112 -3.669 17.031 -2.640 881 HG1 THR 112 1HG THR 112 -3.246 17.058 -0.784 882 1HG2 THR 112 1HG2 THR 112 -5.348 18.565 -3.635 883 2HG2 THR 112 2HG2 THR 112 -6.017 19.005 -2.021 884 3HG2 THR 112 3HG2 THR 112 -4.388 19.507 -2.434 885 H ALA 113 H ALA 113 -4.587 15.878 -4.142 886 HA ALA 113 HA ALA 113 -6.220 16.225 -6.267 887 1HB ALA 113 1HB ALA 113 -4.448 13.793 -5.910 888 2HB ALA 113 2HB ALA 113 -4.850 14.364 -7.482 889 3HB ALA 113 3HB ALA 113 -3.753 15.306 -6.314 890 HXT ALA 113 HO ALA 113 -9.074 14.392 -6.225 Start of MODEL 15 1 1H ALA 1 1H ALA 1 -13.008 11.277 15.288 2 2H ALA 1 2H ALA 1 -14.274 10.403 15.573 3 HA ALA 1 HA ALA 1 -11.486 9.571 16.120 4 1HB ALA 1 1HB ALA 1 -12.606 7.522 17.249 5 2HB ALA 1 2HB ALA 1 -12.842 9.057 18.102 6 3HB ALA 1 3HB ALA 1 -14.177 8.309 17.085 7 H GLU 2 H GLU 2 -10.884 9.303 14.223 8 HA GLU 2 HA GLU 2 -11.828 7.129 12.529 9 1HB GLU 2 1HB GLU 2 -13.628 8.793 11.740 10 2HB GLU 2 2HB GLU 2 -12.349 9.808 11.203 11 1HG GLU 2 1HG GLU 2 -11.756 7.767 9.625 12 2HG GLU 2 2HG GLU 2 -13.148 7.111 10.333 13 HE2 GLU 2 HE GLU 2 -15.327 8.840 8.396 14 H GLU 3 H GLU 3 -10.234 6.516 11.110 15 HA GLU 3 HA GLU 3 -8.004 8.075 10.232 16 1HB GLU 3 1HB GLU 3 -6.146 7.335 11.554 17 2HB GLU 3 2HB GLU 3 -7.100 8.379 12.468 18 1HG GLU 3 1HG GLU 3 -8.196 6.554 13.793 19 2HG GLU 3 2HG GLU 3 -7.414 5.400 12.756 20 HE2 GLU 3 HE GLU 3 -5.052 7.154 15.627 21 H GLY 4 H GLY 4 -6.268 6.478 9.807 22 1HA GLY 4 1HA GLY 4 -7.263 4.576 7.727 23 2HA GLY 4 2HA GLY 4 -5.480 4.974 7.924 24 H GLN 5 H GLN 5 -5.431 2.469 7.758 25 HA GLN 5 HA GLN 5 -5.354 1.217 10.399 26 1HB GLN 5 1HB GLN 5 -7.086 -0.429 10.058 27 2HB GLN 5 2HB GLN 5 -7.730 1.171 10.122 28 1HG GLN 5 1HG GLN 5 -7.910 1.030 7.415 29 2HG GLN 5 2HG GLN 5 -7.726 -0.703 7.747 30 1HE2 GLN 5 1HE2 GLN 5 -9.561 2.259 8.697 31 2HE2 GLN 5 2HE2 GLN 5 -11.101 1.345 9.049 32 H VAL 6 H VAL 6 -3.403 0.335 9.834 33 HA VAL 6 HA VAL 6 -2.686 -0.773 7.250 34 HB VAL 6 HB VAL 6 -1.061 -0.681 9.830 35 1HG1 VAL 6 1HG1 VAL 6 0.861 -1.358 8.660 36 2HG1 VAL 6 2HG1 VAL 6 -0.196 -2.682 8.518 37 3HG1 VAL 6 3HG1 VAL 6 -0.054 -1.677 7.142 38 1HG2 VAL 6 1HG2 VAL 6 -0.604 1.047 7.344 39 2HG2 VAL 6 2HG2 VAL 6 -1.446 1.535 8.895 40 3HG2 VAL 6 3HG2 VAL 6 0.326 1.109 8.861 41 H ILE 7 H ILE 7 -3.069 -2.867 6.716 42 HA ILE 7 HA ILE 7 -3.595 -4.953 8.737 43 HB ILE 7 HB ILE 7 -5.642 -3.786 7.599 44 1HG1 ILE 7 1HG1 ILE 7 -5.999 -5.771 8.985 45 2HG1 ILE 7 2HG1 ILE 7 -7.018 -5.738 7.626 46 1HG2 ILE 7 1HG2 ILE 7 -6.413 -4.979 5.344 47 2HG2 ILE 7 2HG2 ILE 7 -5.248 -3.677 5.324 48 3HG2 ILE 7 3HG2 ILE 7 -4.752 -5.447 5.186 49 1HD1 ILE 7 1HD1 ILE 7 -5.302 -7.518 6.624 50 2HD1 ILE 7 2HD1 ILE 7 -4.681 -7.662 8.310 51 3HD1 ILE 7 3HD1 ILE 7 -6.394 -8.053 7.793 52 H ALA 8 H ALA 8 -2.829 -6.835 8.467 53 HA ALA 8 HA ALA 8 -0.478 -7.407 6.636 54 1HB ALA 8 1HB ALA 8 -0.313 -9.391 7.835 55 2HB ALA 8 2HB ALA 8 -0.636 -8.157 9.111 56 3HB ALA 8 3HB ALA 8 -1.880 -9.259 8.616 57 H CYS 9 H CYS 9 -0.595 -8.612 4.824 58 HA CYS 9 HA CYS 9 -2.994 -10.092 3.736 59 1HB CYS 9 1HB CYS 9 -1.134 -7.992 2.224 60 2HB CYS 9 2HB CYS 9 -2.359 -8.952 1.483 61 HG CYS 9 HG CYS 9 -4.405 -8.379 3.068 62 H HIS 10 H HIS 10 -2.593 -11.607 3.014 63 HA HIS 10 HA HIS 10 0.002 -12.948 2.289 64 1HB HIS 10 1HB HIS 10 -2.212 -14.289 4.064 65 2HB HIS 10 2HB HIS 10 -0.618 -15.038 3.637 66 HD1 HIS 10 1HD HIS 10 -2.349 -13.633 6.341 67 HD2 HIS 10 2HD HIS 10 1.435 -12.607 4.741 68 HE1 HIS 10 1HE HIS 10 -1.010 -12.322 7.978 69 H THR 11 H THR 11 -3.259 -13.346 1.283 70 HA THR 11 HA THR 11 -2.389 -15.420 -0.702 71 HB THR 11 HB THR 11 -4.668 -16.660 -0.050 72 HG1 THR 11 1HG THR 11 -5.308 -16.304 1.981 73 1HG2 THR 11 1HG2 THR 11 -3.418 -18.063 1.542 74 2HG2 THR 11 2HG2 THR 11 -2.222 -17.437 0.432 75 3HG2 THR 11 3HG2 THR 11 -2.296 -16.661 1.938 76 H VAL 12 H VAL 12 -4.655 -16.158 -2.065 77 HA VAL 12 HA VAL 12 -5.883 -13.872 -3.347 78 HB VAL 12 HB VAL 12 -5.903 -16.343 -4.089 79 1HG1 VAL 12 1HG1 VAL 12 -8.313 -16.642 -2.384 80 2HG1 VAL 12 2HG1 VAL 12 -7.636 -18.017 -3.346 81 3HG1 VAL 12 3HG1 VAL 12 -6.874 -17.485 -1.920 82 1HG2 VAL 12 1HG2 VAL 12 -8.535 -14.913 -4.089 83 2HG2 VAL 12 2HG2 VAL 12 -7.256 -14.635 -5.262 84 3HG2 VAL 12 3HG2 VAL 12 -8.209 -16.189 -5.306 85 H ASP 13 H ASP 13 -6.421 -14.545 -0.156 86 HA ASP 13 HA ASP 13 -9.204 -13.416 0.225 87 1HB ASP 13 1HB ASP 13 -6.954 -13.887 2.181 88 2HB ASP 13 2HB ASP 13 -8.175 -12.693 2.567 89 HD2 ASP 13 HD ASP 13 -10.232 -13.333 2.887 90 H THR 14 H THR 14 -5.879 -12.056 0.413 91 HA THR 14 HA THR 14 -6.679 -9.300 0.378 92 HB THR 14 HB THR 14 -4.291 -10.386 0.680 93 HG1 THR 14 1HG THR 14 -3.551 -8.129 0.301 94 1HG2 THR 14 1HG2 THR 14 -3.845 -8.899 -1.998 95 2HG2 THR 14 2HG2 THR 14 -2.640 -10.090 -1.073 96 3HG2 THR 14 3HG2 THR 14 -4.156 -10.678 -1.960 97 H TRP 15 H TRP 15 -6.672 -11.351 -2.411 98 HA TRP 15 HA TRP 15 -7.240 -9.249 -4.523 99 1HB TRP 15 1HB TRP 15 -7.355 -12.234 -4.395 100 2HB TRP 15 2HB TRP 15 -8.440 -11.458 -5.554 101 HD1 TRP 15 HD TRP 15 -4.761 -12.066 -5.153 102 HE1 TRP 15 1HE TRP 15 -3.545 -11.567 -7.270 103 HE3 TRP 15 3HE TRP 15 -8.625 -9.546 -7.135 104 HZ2 TRP 15 2HZ TRP 15 -4.395 -9.968 -9.817 105 HZ3 TRP 15 3HZ TRP 15 -8.254 -8.260 -9.325 106 HH2 TRP 15 HH TRP 15 -6.195 -8.574 -10.608 107 H LYS 16 H LYS 16 -9.374 -11.091 -2.312 108 HA LYS 16 HA LYS 16 -11.850 -9.717 -2.890 109 1HB LYS 16 1HB LYS 16 -11.034 -11.041 -0.304 110 2HB LYS 16 2HB LYS 16 -12.670 -10.321 -0.689 111 1HG LYS 16 1HG LYS 16 -12.649 -12.013 -2.618 112 2HG LYS 16 2HG LYS 16 -11.271 -12.931 -1.809 113 1HD LYS 16 1HD LYS 16 -14.039 -12.403 -0.544 114 2HD LYS 16 2HD LYS 16 -13.440 -13.833 -1.158 115 1HE LYS 16 1HE LYS 16 -11.677 -13.981 0.722 116 2HE LYS 16 2HE LYS 16 -12.041 -12.262 1.151 117 1HZ LYS 16 1HZ LYS 16 -13.318 -13.676 2.633 118 2HZ LYS 16 2HZ LYS 16 -14.471 -13.231 1.478 119 H GLU 17 H GLU 17 -9.381 -8.987 -0.448 120 HA GLU 17 HA GLU 17 -10.723 -6.653 0.768 121 1HB GLU 17 1HB GLU 17 -7.857 -7.453 0.992 122 2HB GLU 17 2HB GLU 17 -8.637 -6.067 1.866 123 1HG GLU 17 1HG GLU 17 -10.038 -7.598 3.161 124 2HG GLU 17 2HG GLU 17 -9.429 -9.040 2.198 125 HE2 GLU 17 HE GLU 17 -7.242 -7.020 5.023 126 H HIS 18 H HIS 18 -7.995 -6.722 -1.501 127 HA HIS 18 HA HIS 18 -7.468 -3.819 -1.655 128 1HB HIS 18 1HB HIS 18 -5.570 -5.575 -2.148 129 2HB HIS 18 2HB HIS 18 -6.455 -6.308 -3.411 130 HD1 HIS 18 1HD HIS 18 -5.777 -5.266 -5.859 131 HD2 HIS 18 2HD HIS 18 -4.674 -2.905 -2.507 132 HE1 HIS 18 1HE HIS 18 -4.209 -3.301 -6.515 133 H PHE 19 H PHE 19 -8.512 -5.963 -4.067 134 HA PHE 19 HA PHE 19 -9.486 -3.867 -5.733 135 1HB PHE 19 1HB PHE 19 -8.831 -6.248 -6.412 136 2HB PHE 19 2HB PHE 19 -10.549 -6.607 -6.253 137 HD1 PHE 19 1HD PHE 19 -12.063 -5.744 -7.997 138 HD2 PHE 19 2HD PHE 19 -7.926 -4.557 -8.108 139 HE1 PHE 19 1HE PHE 19 -12.233 -4.983 -10.307 140 HE2 PHE 19 2HE PHE 19 -8.261 -3.630 -10.358 141 HZ PHE 19 HZ PHE 19 -10.474 -3.920 -11.480 142 H GLU 20 H GLU 20 -11.636 -5.949 -3.744 143 HA GLU 20 HA GLU 20 -14.002 -4.525 -4.361 144 1HB GLU 20 1HB GLU 20 -13.555 -5.950 -1.669 145 2HB GLU 20 2HB GLU 20 -15.090 -5.282 -2.353 146 1HG GLU 20 1HG GLU 20 -13.205 -7.395 -3.663 147 2HG GLU 20 2HG GLU 20 -14.480 -7.858 -2.696 148 HE2 GLU 20 HE GLU 20 -17.072 -6.470 -4.778 149 H LYS 21 H LYS 21 -12.068 -3.655 -1.327 150 HA LYS 21 HA LYS 21 -13.398 -1.125 -0.824 151 1HB LYS 21 1HB LYS 21 -10.471 -1.792 -0.429 152 2HB LYS 21 2HB LYS 21 -11.115 -0.322 0.034 153 1HG LYS 21 1HG LYS 21 -12.176 -2.927 1.060 154 2HG LYS 21 2HG LYS 21 -10.848 -2.221 1.759 155 1HD LYS 21 1HD LYS 21 -12.268 -0.043 2.030 156 2HD LYS 21 2HD LYS 21 -13.708 -1.038 1.500 157 1HE LYS 21 1HE LYS 21 -13.778 -1.169 3.884 158 2HE LYS 21 2HE LYS 21 -13.284 -2.790 3.348 159 1HZ LYS 21 1HZ LYS 21 -10.850 -1.927 3.818 160 2HZ LYS 21 2HZ LYS 21 -11.520 -0.687 4.647 161 H GLY 22 H GLY 22 -10.430 -1.631 -2.814 162 1HA GLY 22 1HA GLY 22 -9.750 1.056 -3.671 163 2HA GLY 22 2HA GLY 22 -9.479 -0.462 -4.590 164 H LYS 23 H LYS 23 -11.090 -1.024 -6.065 165 HA LYS 23 HA LYS 23 -13.109 0.872 -7.175 166 1HB LYS 23 1HB LYS 23 -11.771 -0.594 -8.709 167 2HB LYS 23 2HB LYS 23 -12.541 -2.052 -8.254 168 1HG LYS 23 1HG LYS 23 -14.885 -0.592 -8.706 169 2HG LYS 23 2HG LYS 23 -13.717 0.355 -9.618 170 1HD LYS 23 1HD LYS 23 -14.086 -2.694 -9.768 171 2HD LYS 23 2HD LYS 23 -14.937 -1.574 -10.885 172 1HE LYS 23 1HE LYS 23 -11.906 -1.917 -10.820 173 2HE LYS 23 2HE LYS 23 -12.895 -2.798 -11.820 174 1HZ LYS 23 1HZ LYS 23 -13.777 -0.530 -12.424 175 2HZ LYS 23 2HZ LYS 23 -12.574 0.179 -11.583 176 H GLY 24 H GLY 24 -14.573 0.914 -6.047 177 1HA GLY 24 1HA GLY 24 -16.783 -0.489 -5.848 178 2HA GLY 24 2HA GLY 24 -16.047 -1.159 -4.332 179 H SER 25 H SER 25 -14.779 1.305 -3.712 180 HA SER 25 HA SER 25 -17.013 2.882 -2.448 181 1HB SER 25 1HB SER 25 -14.397 1.632 -1.210 182 2HB SER 25 2HB SER 25 -15.270 2.914 -0.280 183 HG SER 25 HG SER 25 -16.337 0.557 -1.308 184 H GLN 26 H GLN 26 -16.631 4.794 -2.326 185 HA GLN 26 HA GLN 26 -14.722 6.505 -4.000 186 1HB GLN 26 1HB GLN 26 -16.818 7.614 -2.282 187 2HB GLN 26 2HB GLN 26 -15.717 8.489 -3.219 188 1HG GLN 26 1HG GLN 26 -17.723 8.439 -4.390 189 2HG GLN 26 2HG GLN 26 -16.625 7.417 -5.361 190 1HE2 GLN 26 1HE2 GLN 26 -17.772 5.756 -6.276 191 2HE2 GLN 26 2HE2 GLN 26 -19.408 5.357 -5.536 192 H LYS 27 H LYS 27 -13.053 5.458 -2.753 193 HA LYS 27 HA LYS 27 -11.769 7.452 -0.987 194 1HB LYS 27 1HB LYS 27 -11.238 5.742 0.736 195 2HB LYS 27 2HB LYS 27 -12.967 5.775 0.636 196 1HG LYS 27 1HG LYS 27 -12.970 3.595 -0.692 197 2HG LYS 27 2HG LYS 27 -11.113 3.611 -0.694 198 1HD LYS 27 1HD LYS 27 -12.210 2.157 0.824 199 2HD LYS 27 2HD LYS 27 -11.200 3.247 1.733 200 1HE LYS 27 1HE LYS 27 -12.913 4.056 3.018 201 2HE LYS 27 2HE LYS 27 -14.080 4.178 1.685 202 1HZ LYS 27 1HZ LYS 27 -14.225 2.349 3.558 203 2HZ LYS 27 2HZ LYS 27 -14.770 2.112 1.976 204 H LEU 28 H LEU 28 -9.641 6.521 -0.303 205 HA LEU 28 HA LEU 28 -7.959 5.550 -2.628 206 1HB LEU 28 1HB LEU 28 -7.627 7.874 -2.188 207 2HB LEU 28 2HB LEU 28 -7.522 7.590 -0.506 208 HG LEU 28 HG LEU 28 -5.316 6.506 -0.754 209 1HD1 LEU 28 1HD1 LEU 28 -4.024 7.001 -2.989 210 2HD1 LEU 28 2HD1 LEU 28 -5.204 5.734 -3.026 211 3HD1 LEU 28 3HD1 LEU 28 -5.657 7.301 -3.828 212 1HD2 LEU 28 1HD2 LEU 28 -5.641 8.926 -0.295 213 2HD2 LEU 28 2HD2 LEU 28 -4.115 8.698 -1.040 214 3HD2 LEU 28 3HD2 LEU 28 -5.362 9.435 -1.960 215 H ILE 29 H ILE 29 -6.420 3.961 -2.224 216 HA ILE 29 HA ILE 29 -5.894 2.760 0.400 217 HB ILE 29 HB ILE 29 -6.331 0.527 -0.127 218 1HG1 ILE 29 1HG1 ILE 29 -7.501 0.707 -2.970 219 2HG1 ILE 29 2HG1 ILE 29 -5.735 0.504 -2.515 220 1HG2 ILE 29 1HG2 ILE 29 -8.822 0.360 -0.608 221 2HG2 ILE 29 2HG2 ILE 29 -8.538 1.814 0.496 222 3HG2 ILE 29 3HG2 ILE 29 -8.781 1.989 -1.304 223 1HD1 ILE 29 1HD1 ILE 29 -6.825 -1.505 -3.106 224 2HD1 ILE 29 2HD1 ILE 29 -6.283 -1.593 -1.385 225 3HD1 ILE 29 3HD1 ILE 29 -8.074 -1.269 -1.675 226 H VAL 30 H VAL 30 -4.211 2.151 0.615 227 HA VAL 30 HA VAL 30 -2.101 2.493 -1.378 228 HB VAL 30 HB VAL 30 -1.852 3.393 1.485 229 1HG1 VAL 30 1HG1 VAL 30 -0.039 4.239 -0.619 230 2HG1 VAL 30 2HG1 VAL 30 0.135 4.532 1.167 231 3HG1 VAL 30 3HG1 VAL 30 0.485 2.993 0.542 232 1HG2 VAL 30 1HG2 VAL 30 -1.967 5.850 0.532 233 2HG2 VAL 30 2HG2 VAL 30 -2.246 5.171 -0.990 234 3HG2 VAL 30 3HG2 VAL 30 -3.419 4.985 0.473 235 H VAL 31 H VAL 31 -0.214 1.078 -1.219 236 HA VAL 31 HA VAL 31 -0.391 -1.175 0.541 237 HB VAL 31 HB VAL 31 -2.015 -1.889 -0.668 238 1HG1 VAL 31 1HG1 VAL 31 -1.977 -0.907 -2.622 239 2HG1 VAL 31 2HG1 VAL 31 -0.497 -1.710 -3.292 240 3HG1 VAL 31 3HG1 VAL 31 -1.953 -2.712 -3.035 241 1HG2 VAL 31 1HG2 VAL 31 -1.436 -4.185 -1.309 242 2HG2 VAL 31 2HG2 VAL 31 0.417 -3.798 -1.392 243 3HG2 VAL 31 3HG2 VAL 31 -0.450 -3.760 0.108 244 H ASP 32 H ASP 32 1.376 -1.846 1.111 245 HA ASP 32 HA ASP 32 3.893 -1.328 -0.210 246 1HB ASP 32 1HB ASP 32 3.685 -0.862 2.104 247 2HB ASP 32 2HB ASP 32 3.518 -2.552 2.557 248 HD2 ASP 32 HD ASP 32 7.118 -1.371 1.165 249 H PHE 33 H PHE 33 4.925 -2.979 -1.543 250 HA PHE 33 HA PHE 33 4.166 -5.807 -1.457 251 1HB PHE 33 1HB PHE 33 5.004 -3.643 -3.621 252 2HB PHE 33 2HB PHE 33 5.318 -5.390 -3.992 253 HD1 PHE 33 1HD PHE 33 3.580 -7.022 -3.645 254 HD2 PHE 33 2HD PHE 33 2.818 -2.921 -4.496 255 HE1 PHE 33 1HE PHE 33 1.148 -7.514 -3.909 256 HE2 PHE 33 2HE PHE 33 0.267 -3.574 -4.935 257 HZ PHE 33 HZ PHE 33 -0.388 -5.755 -4.603 258 H THR 34 H THR 34 5.804 -6.672 -0.389 259 HA THR 34 HA THR 34 8.482 -5.727 -0.436 260 HB THR 34 HB THR 34 7.493 -4.013 1.007 261 HG1 THR 34 1HG THR 34 9.750 -5.161 1.305 262 1HG2 THR 34 1HG2 THR 34 5.842 -5.524 2.273 263 2HG2 THR 34 2HG2 THR 34 7.289 -6.325 3.149 264 3HG2 THR 34 3HG2 THR 34 6.844 -4.577 3.298 265 H ALA 35 H ALA 35 9.746 -7.161 0.279 266 HA ALA 35 HA ALA 35 8.977 -9.961 0.855 267 1HB ALA 35 1HB ALA 35 10.586 -9.195 -0.968 268 2HB ALA 35 2HB ALA 35 11.689 -8.787 0.402 269 3HB ALA 35 3HB ALA 35 11.275 -10.397 0.208 270 H SER 36 H SER 36 9.034 -10.784 2.769 271 HA SER 36 HA SER 36 9.297 -9.483 5.252 272 1HB SER 36 1HB SER 36 8.358 -11.715 4.792 273 2HB SER 36 2HB SER 36 9.979 -12.448 4.577 274 HG SER 36 HG SER 36 10.233 -11.289 6.801 275 H TRP 37 H TRP 37 12.164 -11.260 3.664 276 HA TRP 37 HA TRP 37 14.152 -10.183 5.418 277 1HB TRP 37 1HB TRP 37 15.647 -11.048 3.617 278 2HB TRP 37 2HB TRP 37 14.532 -12.257 4.246 279 HD1 TRP 37 HD TRP 37 12.676 -13.466 2.826 280 HE1 TRP 37 1HE TRP 37 11.950 -13.574 0.306 281 HE3 TRP 37 3HE TRP 37 16.150 -10.253 1.229 282 HZ2 TRP 37 2HZ TRP 37 12.958 -12.353 -2.023 283 HZ3 TRP 37 3HZ TRP 37 16.248 -9.676 -1.297 284 HH2 TRP 37 HH TRP 37 14.588 -10.559 -2.785 285 H CYS 38 H CYS 38 13.643 -8.058 5.622 286 HA CYS 38 HA CYS 38 14.975 -6.162 3.913 287 1HB CYS 38 1HB CYS 38 12.885 -6.438 2.415 288 2HB CYS 38 2HB CYS 38 11.880 -5.953 3.810 289 HG CYS 38 HG CYS 38 13.463 -4.264 1.723 290 HA PRO 39 HA PRO 39 14.684 -4.518 8.289 291 1HB PRO 39 1HB PRO 39 17.387 -3.494 7.250 292 2HB PRO 39 2HB PRO 39 17.098 -3.978 8.887 293 1HG PRO 39 1HG PRO 39 18.419 -5.597 7.201 294 2HG PRO 39 2HG PRO 39 17.303 -6.286 8.507 295 1HD PRO 39 1HD PRO 39 16.971 -5.866 5.548 296 2HD PRO 39 2HD PRO 39 16.303 -7.199 6.442 297 HA PRO 40 HA PRO 40 14.686 -0.076 5.762 298 1HB PRO 40 1HB PRO 40 14.093 -1.279 3.167 299 2HB PRO 40 2HB PRO 40 14.900 0.277 3.540 300 1HG PRO 40 1HG PRO 40 16.372 -1.936 2.672 301 2HG PRO 40 2HG PRO 40 16.909 -0.781 3.982 302 1HD PRO 40 1HD PRO 40 15.878 -3.616 4.318 303 2HD PRO 40 2HD PRO 40 17.154 -2.694 5.209 304 H CYS 41 H CYS 41 12.583 -2.621 4.432 305 HA CYS 41 HA CYS 41 10.216 -1.022 5.093 306 1HB CYS 41 1HB CYS 41 10.287 -3.773 3.947 307 2HB CYS 41 2HB CYS 41 8.852 -2.955 4.243 308 HG CYS 41 HG CYS 41 11.251 -1.653 2.421 309 H LYS 42 H LYS 42 11.771 -3.617 6.845 310 HA LYS 42 HA LYS 42 9.948 -3.971 8.889 311 1HB LYS 42 1HB LYS 42 12.230 -5.074 8.629 312 2HB LYS 42 2HB LYS 42 12.974 -3.659 9.211 313 1HG LYS 42 1HG LYS 42 11.359 -4.025 11.424 314 2HG LYS 42 2HG LYS 42 10.775 -5.428 10.614 315 1HD LYS 42 1HD LYS 42 13.100 -6.473 10.493 316 2HD LYS 42 2HD LYS 42 13.716 -4.929 11.223 317 1HE LYS 42 1HE LYS 42 13.619 -6.671 12.795 318 2HE LYS 42 2HE LYS 42 12.384 -5.622 13.433 319 1HZ LYS 42 1HZ LYS 42 11.063 -7.400 11.617 320 2HZ LYS 42 2HZ LYS 42 12.124 -8.367 12.513 321 H MET 43 H MET 43 12.069 -1.190 8.534 322 HA MET 43 HA MET 43 11.117 0.440 10.892 323 1HB MET 43 1HB MET 43 12.525 2.207 10.302 324 2HB MET 43 2HB MET 43 13.500 0.751 10.423 325 1HG MET 43 1HG MET 43 13.793 0.764 7.969 326 2HG MET 43 2HG MET 43 12.687 2.254 7.870 327 1HE MET 43 1HE MET 43 15.312 2.242 6.396 328 2HE MET 43 2HE MET 43 14.758 3.895 6.675 329 3HE MET 43 3HE MET 43 16.426 3.366 7.086 330 H ILE 44 H ILE 44 10.446 0.334 7.382 331 HA ILE 44 HA ILE 44 8.611 2.517 7.366 332 HB ILE 44 HB ILE 44 9.852 1.212 5.317 333 1HG1 ILE 44 1HG1 ILE 44 8.613 2.426 3.722 334 2HG1 ILE 44 2HG1 ILE 44 7.377 2.976 4.929 335 1HG2 ILE 44 1HG2 ILE 44 6.973 0.383 4.756 336 2HG2 ILE 44 2HG2 ILE 44 8.373 -0.141 3.882 337 3HG2 ILE 44 3HG2 ILE 44 8.087 -0.702 5.489 338 1HD1 ILE 44 1HD1 ILE 44 10.444 3.502 4.849 339 2HD1 ILE 44 2HD1 ILE 44 9.250 4.642 4.271 340 3HD1 ILE 44 3HD1 ILE 44 9.360 4.179 6.036 341 H ALA 45 H ALA 45 7.878 -0.860 7.927 342 HA ALA 45 HA ALA 45 5.171 -0.653 8.226 343 1HB ALA 45 1HB ALA 45 6.959 -2.440 9.907 344 2HB ALA 45 2HB ALA 45 5.161 -2.555 9.842 345 3HB ALA 45 3HB ALA 45 6.136 -2.839 8.335 346 HA PRO 46 HA PRO 46 5.266 1.837 12.479 347 1HB PRO 46 1HB PRO 46 8.377 2.317 12.502 348 2HB PRO 46 2HB PRO 46 7.311 2.474 13.857 349 1HG PRO 46 1HG PRO 46 8.688 0.410 13.596 350 2HG PRO 46 2HG PRO 46 6.926 0.169 13.940 351 1HD PRO 46 1HD PRO 46 8.319 -0.179 11.225 352 2HD PRO 46 2HD PRO 46 7.141 -1.197 11.933 353 H ILE 47 H ILE 47 7.322 2.973 9.872 354 HA ILE 47 HA ILE 47 6.238 5.659 9.929 355 HB ILE 47 HB ILE 47 7.827 4.483 7.699 356 1HG1 ILE 47 1HG1 ILE 47 9.226 4.727 9.668 357 2HG1 ILE 47 2HG1 ILE 47 9.670 5.736 8.400 358 1HG2 ILE 47 1HG2 ILE 47 6.300 6.258 6.975 359 2HG2 ILE 47 2HG2 ILE 47 7.283 7.506 7.826 360 3HG2 ILE 47 3HG2 ILE 47 7.914 6.458 6.467 361 1HD1 ILE 47 1HD1 ILE 47 9.771 6.774 10.681 362 2HD1 ILE 47 2HD1 ILE 47 8.559 7.751 9.690 363 3HD1 ILE 47 3HD1 ILE 47 7.992 6.502 10.886 364 H PHE 48 H PHE 48 5.200 3.029 7.910 365 HA PHE 48 HA PHE 48 2.834 4.173 6.655 366 1HB PHE 48 1HB PHE 48 4.146 2.077 6.106 367 2HB PHE 48 2HB PHE 48 3.388 1.281 7.563 368 HD1 PHE 48 1HD PHE 48 2.101 -0.351 6.424 369 HD2 PHE 48 2HD PHE 48 2.313 3.485 4.529 370 HE1 PHE 48 1HE PHE 48 0.957 -1.324 4.465 371 HE2 PHE 48 2HE PHE 48 1.218 2.569 2.593 372 HZ PHE 48 HZ PHE 48 0.628 0.084 2.617 373 H ALA 49 H ALA 49 3.048 2.651 9.976 374 HA ALA 49 HA ALA 49 0.246 2.939 10.679 375 1HB ALA 49 1HB ALA 49 1.567 1.304 11.898 376 2HB ALA 49 2HB ALA 49 2.613 2.552 12.569 377 3HB ALA 49 3HB ALA 49 0.866 2.485 12.914 378 H GLU 50 H GLU 50 3.079 5.171 11.310 379 HA GLU 50 HA GLU 50 1.576 6.991 12.968 380 1HB GLU 50 1HB GLU 50 4.188 6.743 12.660 381 2HB GLU 50 2HB GLU 50 4.030 7.613 11.148 382 1HG GLU 50 1HG GLU 50 2.900 9.484 12.513 383 2HG GLU 50 2HG GLU 50 3.307 8.705 14.033 384 HE2 GLU 50 HE GLU 50 5.753 11.331 12.556 385 H LEU 51 H LEU 51 2.392 6.917 9.552 386 HA LEU 51 HA LEU 51 1.053 9.285 8.566 387 1HB LEU 51 1HB LEU 51 2.724 8.561 7.330 388 2HB LEU 51 2HB LEU 51 2.188 6.901 7.396 389 HG LEU 51 HG LEU 51 2.388 8.306 5.242 390 1HD1 LEU 51 1HD1 LEU 51 0.475 7.092 4.075 391 2HD1 LEU 51 2HD1 LEU 51 1.535 6.126 5.130 392 3HD1 LEU 51 3HD1 LEU 51 -0.096 6.457 5.614 393 1HD2 LEU 51 1HD2 LEU 51 0.931 10.314 6.140 394 2HD2 LEU 51 2HD2 LEU 51 0.345 9.690 4.594 395 3HD2 LEU 51 3HD2 LEU 51 -0.524 9.205 6.071 396 H ALA 52 H ALA 52 -0.105 5.942 8.922 397 HA ALA 52 HA ALA 52 -2.801 6.049 7.863 398 1HB ALA 52 1HB ALA 52 -1.692 3.865 8.238 399 2HB ALA 52 2HB ALA 52 -1.686 4.184 10.070 400 3HB ALA 52 3HB ALA 52 -3.173 3.982 9.160 401 H LYS 53 H LYS 53 -1.399 6.835 10.951 402 HA LYS 53 HA LYS 53 -3.873 7.549 12.275 403 1HB LYS 53 1HB LYS 53 -1.051 8.247 13.084 404 2HB LYS 53 2HB LYS 53 -2.427 8.777 14.105 405 1HG LYS 53 1HG LYS 53 -3.111 6.401 14.353 406 2HG LYS 53 2HG LYS 53 -1.821 5.828 13.377 407 1HD LYS 53 1HD LYS 53 -0.135 6.668 14.939 408 2HD LYS 53 2HD LYS 53 -1.378 7.207 16.151 409 1HE LYS 53 1HE LYS 53 -2.321 4.917 16.483 410 2HE LYS 53 2HE LYS 53 -1.258 4.262 15.300 411 1HZ LYS 53 1HZ LYS 53 -0.151 3.911 17.338 412 2HZ LYS 53 2HZ LYS 53 0.566 5.190 16.611 413 H LYS 54 H LYS 54 -1.695 9.389 10.336 414 HA LYS 54 HA LYS 54 -2.608 12.116 10.940 415 1HB LYS 54 1HB LYS 54 -0.288 11.554 10.046 416 2HB LYS 54 2HB LYS 54 -1.065 11.023 8.600 417 1HG LYS 54 1HG LYS 54 -1.819 13.193 7.885 418 2HG LYS 54 2HG LYS 54 -1.580 13.849 9.486 419 1HD LYS 54 1HD LYS 54 0.664 12.681 7.759 420 2HD LYS 54 2HD LYS 54 0.096 14.420 7.614 421 1HE LYS 54 1HE LYS 54 0.937 14.675 10.060 422 2HE LYS 54 2HE LYS 54 1.236 12.965 10.051 423 1HZ LYS 54 1HZ LYS 54 2.892 14.752 9.637 424 2HZ LYS 54 2HZ LYS 54 3.000 13.509 8.450 425 H PHE 55 H PHE 55 -3.528 9.721 8.699 426 HA PHE 55 HA PHE 55 -5.317 11.416 6.955 427 1HB PHE 55 1HB PHE 55 -2.979 9.657 6.471 428 2HB PHE 55 2HB PHE 55 -4.321 9.518 5.423 429 HD1 PHE 55 1HD PHE 55 -1.351 11.593 5.909 430 HD2 PHE 55 2HD PHE 55 -5.450 11.763 4.673 431 HE1 PHE 55 1HE PHE 55 -0.971 13.843 4.983 432 HE2 PHE 55 2HE PHE 55 -4.940 13.969 3.516 433 HZ PHE 55 HZ PHE 55 -2.853 15.036 3.753 434 HA PRO 56 HA PRO 56 -8.448 8.299 8.077 435 1HB PRO 56 1HB PRO 56 -10.723 9.771 8.254 436 2HB PRO 56 2HB PRO 56 -9.358 9.959 9.426 437 1HG PRO 56 1HG PRO 56 -9.637 11.651 6.981 438 2HG PRO 56 2HG PRO 56 -9.500 12.095 8.820 439 1HD PRO 56 1HD PRO 56 -7.336 11.965 6.963 440 2HD PRO 56 2HD PRO 56 -7.188 11.685 8.694 441 H ASN 57 H ASN 57 -8.281 9.502 5.035 442 HA ASN 57 HA ASN 57 -10.836 8.488 3.936 443 1HB ASN 57 1HB ASN 57 -10.377 9.515 1.717 444 2HB ASN 57 2HB ASN 57 -10.549 10.740 2.989 445 1HD2 ASN 57 2HD2 ASN 57 -9.042 12.011 3.560 446 2HD2 ASN 57 1HD2 ASN 57 -7.443 12.236 2.652 447 H VAL 58 H VAL 58 -8.284 7.088 4.832 448 HA VAL 58 HA VAL 58 -7.696 5.578 2.352 449 HB VAL 58 HB VAL 58 -6.459 7.618 2.020 450 1HG1 VAL 58 1HG1 VAL 58 -4.821 7.441 4.523 451 2HG1 VAL 58 2HG1 VAL 58 -4.828 8.666 3.380 452 3HG1 VAL 58 3HG1 VAL 58 -6.342 8.415 4.408 453 1HG2 VAL 58 1HG2 VAL 58 -5.473 5.565 1.298 454 2HG2 VAL 58 2HG2 VAL 58 -4.162 6.678 1.865 455 3HG2 VAL 58 3HG2 VAL 58 -4.704 5.359 2.983 456 H THR 59 H THR 59 -7.962 3.744 2.853 457 HA THR 59 HA THR 59 -7.330 2.018 5.248 458 HB THR 59 HB THR 59 -7.946 1.348 2.315 459 HG1 THR 59 1HG THR 59 -9.553 2.297 3.344 460 1HG2 THR 59 1HG2 THR 59 -8.235 -0.522 4.522 461 2HG2 THR 59 2HG2 THR 59 -8.421 -0.905 2.885 462 3HG2 THR 59 3HG2 THR 59 -6.754 -0.703 3.623 463 H PHE 60 H PHE 60 -5.558 0.733 5.236 464 HA PHE 60 HA PHE 60 -3.261 0.988 3.296 465 1HB PHE 60 1HB PHE 60 -2.917 1.324 6.317 466 2HB PHE 60 2HB PHE 60 -1.645 1.011 5.156 467 HD1 PHE 60 1HD PHE 60 -1.084 2.877 3.355 468 HD2 PHE 60 2HD PHE 60 -4.136 3.558 6.403 469 HE1 PHE 60 1HE PHE 60 -0.904 5.253 3.130 470 HE2 PHE 60 2HE PHE 60 -4.098 5.886 5.902 471 HZ PHE 60 HZ PHE 60 -2.507 6.704 4.005 472 H LEU 61 H LEU 61 -2.427 -0.697 2.908 473 HA LEU 61 HA LEU 61 -2.469 -3.155 4.556 474 1HB LEU 61 1HB LEU 61 -3.986 -4.500 3.218 475 2HB LEU 61 2HB LEU 61 -4.762 -2.932 3.197 476 HG LEU 61 HG LEU 61 -3.230 -2.780 0.941 477 1HD1 LEU 61 1HD1 LEU 61 -3.990 -5.775 1.103 478 2HD1 LEU 61 2HD1 LEU 61 -3.324 -4.980 -0.313 479 3HD1 LEU 61 3HD1 LEU 61 -2.339 -5.204 1.271 480 1HD2 LEU 61 1HD2 LEU 61 -5.803 -2.504 1.108 481 2HD2 LEU 61 2HD2 LEU 61 -5.237 -3.420 -0.274 482 3HD2 LEU 61 3HD2 LEU 61 -6.068 -4.297 1.047 483 H LYS 62 H LYS 62 -1.381 -5.088 3.637 484 HA LYS 62 HA LYS 62 1.126 -4.293 2.152 485 1HB LYS 62 1HB LYS 62 2.721 -4.660 3.925 486 2HB LYS 62 2HB LYS 62 1.816 -3.196 3.997 487 1HG LYS 62 1HG LYS 62 0.497 -4.077 5.983 488 2HG LYS 62 2HG LYS 62 1.409 -5.604 5.843 489 1HD LYS 62 1HD LYS 62 2.507 -2.676 6.371 490 2HD LYS 62 2HD LYS 62 2.377 -3.716 7.597 491 1HE LYS 62 1HE LYS 62 4.488 -3.894 5.443 492 2HE LYS 62 2HE LYS 62 4.616 -3.540 7.116 493 1HZ LYS 62 1HZ LYS 62 3.785 -6.149 6.008 494 2HZ LYS 62 2HZ LYS 62 4.207 -5.767 7.604 495 H VAL 63 H VAL 63 1.547 -5.755 1.007 496 HA VAL 63 HA VAL 63 0.799 -8.710 1.188 497 HB VAL 63 HB VAL 63 1.542 -6.973 -1.161 498 1HG1 VAL 63 1HG1 VAL 63 1.695 -9.825 -0.869 499 2HG1 VAL 63 2HG1 VAL 63 0.808 -9.315 -2.456 500 3HG1 VAL 63 3HG1 VAL 63 2.516 -8.815 -1.989 501 1HG2 VAL 63 1HG2 VAL 63 -1.015 -8.772 -0.561 502 2HG2 VAL 63 2HG2 VAL 63 -0.968 -6.990 -0.295 503 3HG2 VAL 63 3HG2 VAL 63 -0.715 -7.554 -1.940 504 H ASP 64 H ASP 64 2.178 -10.015 2.022 505 HA ASP 64 HA ASP 64 5.176 -9.804 1.844 506 1HB ASP 64 1HB ASP 64 3.963 -10.897 3.652 507 2HB ASP 64 2HB ASP 64 3.157 -12.104 2.769 508 HD2 ASP 64 HD ASP 64 5.516 -14.075 4.047 509 H VAL 65 H VAL 65 5.872 -9.651 -0.123 510 HA VAL 65 HA VAL 65 5.036 -10.702 -2.443 511 HB VAL 65 HB VAL 65 6.847 -8.885 -2.044 512 1HG1 VAL 65 1HG1 VAL 65 8.820 -10.793 -1.746 513 2HG1 VAL 65 2HG1 VAL 65 8.629 -11.197 -3.352 514 3HG1 VAL 65 3HG1 VAL 65 9.207 -9.521 -2.994 515 1HG2 VAL 65 1HG2 VAL 65 7.024 -8.782 -4.572 516 2HG2 VAL 65 2HG2 VAL 65 6.384 -10.515 -4.528 517 3HG2 VAL 65 3HG2 VAL 65 5.473 -9.078 -3.842 518 H ASP 66 H ASP 66 7.557 -12.441 -0.618 519 HA ASP 66 HA ASP 66 7.845 -14.787 -2.181 520 1HB ASP 66 1HB ASP 66 7.496 -14.893 0.855 521 2HB ASP 66 2HB ASP 66 8.158 -16.118 -0.215 522 HD2 ASP 66 HD ASP 66 11.315 -15.005 -0.294 523 H GLU 67 H GLU 67 4.985 -14.545 -0.056 524 HA GLU 67 HA GLU 67 3.530 -16.686 -1.310 525 1HB GLU 67 1HB GLU 67 2.478 -14.313 0.343 526 2HB GLU 67 2HB GLU 67 1.534 -15.736 -0.005 527 1HG GLU 67 1HG GLU 67 3.366 -17.191 1.043 528 2HG GLU 67 2HG GLU 67 3.920 -15.694 1.660 529 HE2 GLU 67 HE GLU 67 0.683 -17.901 2.872 530 H LEU 68 H LEU 68 3.852 -13.481 -2.834 531 HA LEU 68 HA LEU 68 1.743 -13.906 -4.835 532 1HB LEU 68 1HB LEU 68 1.440 -11.508 -2.834 533 2HB LEU 68 2HB LEU 68 0.511 -11.736 -4.284 534 HG LEU 68 HG LEU 68 0.455 -13.569 -1.837 535 1HD1 LEU 68 1HD1 LEU 68 -1.513 -11.394 -2.869 536 2HD1 LEU 68 2HD1 LEU 68 -1.746 -12.286 -1.347 537 3HD1 LEU 68 3HD1 LEU 68 -0.495 -11.155 -1.507 538 1HD2 LEU 68 1HD2 LEU 68 -1.130 -13.581 -4.327 539 2HD2 LEU 68 2HD2 LEU 68 -0.266 -14.957 -3.650 540 3HD2 LEU 68 3HD2 LEU 68 -1.826 -14.341 -2.930 541 H LYS 69 H LYS 69 4.096 -13.730 -5.227 542 HA LYS 69 HA LYS 69 5.057 -11.122 -6.292 543 1HB LYS 69 1HB LYS 69 6.828 -12.162 -7.140 544 2HB LYS 69 2HB LYS 69 6.893 -12.477 -5.614 545 1HG LYS 69 1HG LYS 69 5.893 -14.957 -5.893 546 2HG LYS 69 2HG LYS 69 5.973 -14.543 -7.594 547 1HD LYS 69 1HD LYS 69 7.975 -15.594 -7.242 548 2HD LYS 69 2HD LYS 69 8.547 -13.921 -7.148 549 1HE LYS 69 1HE LYS 69 8.450 -13.970 -4.607 550 2HE LYS 69 2HE LYS 69 8.145 -15.770 -4.701 551 1HZ LYS 69 1HZ LYS 69 10.556 -15.188 -4.573 552 2HZ LYS 69 2HZ LYS 69 10.157 -16.066 -5.945 553 H ALA 70 H ALA 70 3.458 -13.958 -7.767 554 HA ALA 70 HA ALA 70 3.518 -13.134 -10.535 555 1HB ALA 70 1HB ALA 70 1.205 -14.316 -10.628 556 2HB ALA 70 2HB ALA 70 2.604 -15.215 -9.966 557 3HB ALA 70 3HB ALA 70 1.395 -14.661 -8.849 558 H VAL 71 H VAL 71 0.767 -12.302 -8.491 559 HA VAL 71 HA VAL 71 -0.095 -10.154 -10.082 560 HB VAL 71 HB VAL 71 -1.550 -11.208 -8.310 561 1HG1 VAL 71 1HG1 VAL 71 -1.518 -10.351 -5.984 562 2HG1 VAL 71 2HG1 VAL 71 0.033 -11.366 -6.410 563 3HG1 VAL 71 3HG1 VAL 71 -0.018 -9.567 -6.296 564 1HG2 VAL 71 1HG2 VAL 71 -2.682 -9.086 -7.598 565 2HG2 VAL 71 2HG2 VAL 71 -1.280 -8.128 -8.175 566 3HG2 VAL 71 3HG2 VAL 71 -2.223 -9.058 -9.354 567 H ALA 72 H ALA 72 2.073 -9.799 -7.083 568 HA ALA 72 HA ALA 72 2.297 -7.011 -6.992 569 1HB ALA 72 1HB ALA 72 4.986 -8.645 -6.818 570 2HB ALA 72 2HB ALA 72 4.451 -7.291 -5.934 571 3HB ALA 72 3HB ALA 72 3.660 -8.674 -5.513 572 H GLU 73 H GLU 73 4.140 -9.023 -8.892 573 HA GLU 73 HA GLU 73 5.788 -7.077 -10.469 574 1HB GLU 73 1HB GLU 73 4.846 -9.996 -10.973 575 2HB GLU 73 2HB GLU 73 5.510 -9.204 -12.335 576 1HG GLU 73 1HG GLU 73 7.696 -8.762 -11.149 577 2HG GLU 73 2HG GLU 73 7.006 -9.301 -9.650 578 HE2 GLU 73 HE GLU 73 5.638 -11.335 -10.657 579 H GLU 74 H GLU 74 2.513 -8.643 -11.172 580 HA GLU 74 HA GLU 74 2.040 -7.269 -13.685 581 1HB GLU 74 1HB GLU 74 0.085 -8.342 -13.969 582 2HB GLU 74 2HB GLU 74 0.741 -9.352 -12.827 583 1HG GLU 74 1HG GLU 74 -0.800 -8.414 -11.029 584 2HG GLU 74 2HG GLU 74 -1.362 -7.090 -12.132 585 HE2 GLU 74 HE GLU 74 -3.150 -7.663 -11.569 586 H TRP 75 H TRP 75 1.117 -5.965 -10.612 587 HA TRP 75 HA TRP 75 -0.058 -3.557 -11.761 588 1HB TRP 75 1HB TRP 75 1.211 -3.556 -8.926 589 2HB TRP 75 2HB TRP 75 0.005 -2.467 -9.538 590 HD1 TRP 75 HD TRP 75 0.435 -5.389 -7.409 591 HE1 TRP 75 1HE TRP 75 -1.656 -6.494 -6.647 592 HE3 TRP 75 3HE TRP 75 -2.285 -3.634 -11.356 593 HZ2 TRP 75 2HZ TRP 75 -4.148 -6.937 -8.088 594 HZ3 TRP 75 3HZ TRP 75 -4.374 -4.632 -11.799 595 HH2 TRP 75 HH TRP 75 -5.294 -6.276 -10.230 596 H ASN 76 H ASN 76 3.066 -4.242 -10.390 597 HA ASN 76 HA ASN 76 4.826 -3.694 -12.261 598 1HB ASN 76 1HB ASN 76 3.937 -1.358 -12.816 599 2HB ASN 76 2HB ASN 76 4.688 -0.801 -11.402 600 1HD2 ASN 76 1HD2 ASN 76 5.202 -2.325 -14.547 601 2HD2 ASN 76 2HD2 ASN 76 7.043 -1.845 -14.695 602 H VAL 77 H VAL 77 5.665 -5.124 -10.513 603 HA VAL 77 HA VAL 77 7.735 -3.819 -8.767 604 HB VAL 77 HB VAL 77 5.888 -6.165 -7.744 605 1HG1 VAL 77 1HG1 VAL 77 6.877 -5.723 -5.533 606 2HG1 VAL 77 2HG1 VAL 77 8.188 -5.887 -6.685 607 3HG1 VAL 77 3HG1 VAL 77 7.619 -4.284 -6.147 608 1HG2 VAL 77 1HG2 VAL 77 5.567 -3.311 -7.176 609 2HG2 VAL 77 2HG2 VAL 77 4.342 -4.250 -7.965 610 3HG2 VAL 77 3HG2 VAL 77 4.683 -4.470 -6.227 611 H GLU 78 H GLU 78 8.839 -4.366 -10.608 612 HA GLU 78 HA GLU 78 10.025 -7.062 -10.635 613 1HB GLU 78 1HB GLU 78 11.849 -5.819 -11.931 614 2HB GLU 78 2HB GLU 78 10.390 -6.027 -12.653 615 1HG GLU 78 1HG GLU 78 10.011 -3.593 -11.844 616 2HG GLU 78 2HG GLU 78 11.798 -3.495 -11.687 617 HE2 GLU 78 HE GLU 78 12.966 -3.292 -13.408 618 H ALA 79 H ALA 79 10.019 -4.494 -8.341 619 HA ALA 79 HA ALA 79 12.812 -5.072 -7.501 620 1HB ALA 79 1HB ALA 79 11.429 -2.396 -8.304 621 2HB ALA 79 2HB ALA 79 12.920 -2.301 -7.168 622 3HB ALA 79 3HB ALA 79 13.008 -2.938 -8.778 623 H MET 80 H MET 80 13.046 -5.167 -5.151 624 HA MET 80 HA MET 80 10.954 -4.517 -3.139 625 1HB MET 80 1HB MET 80 13.618 -5.532 -2.861 626 2HB MET 80 2HB MET 80 12.357 -5.484 -1.695 627 1HG MET 80 1HG MET 80 11.874 -7.067 -4.297 628 2HG MET 80 2HG MET 80 12.522 -7.749 -2.611 629 1HE MET 80 1HE MET 80 9.679 -6.158 -4.586 630 2HE MET 80 2HE MET 80 8.248 -6.656 -3.805 631 3HE MET 80 3HE MET 80 8.947 -5.252 -3.282 632 HA PRO 81 HA PRO 81 9.918 -2.905 -3.084 633 1HB PRO 81 1HB PRO 81 9.541 -2.319 -0.246 634 2HB PRO 81 2HB PRO 81 10.747 -3.465 -0.797 635 1HG PRO 81 1HG PRO 81 11.188 -0.639 0.080 636 2HG PRO 81 2HG PRO 81 12.331 -1.954 0.222 637 1HD PRO 81 1HD PRO 81 12.233 0.081 -1.957 638 2HD PRO 81 2HD PRO 81 13.445 -1.012 -1.561 639 H THR 82 H THR 82 8.183 -2.379 -3.070 640 HA THR 82 HA THR 82 7.707 0.371 -4.128 641 HB THR 82 HB THR 82 6.519 -2.512 -4.945 642 HG1 THR 82 1HG THR 82 8.229 -2.749 -6.021 643 1HG2 THR 82 1HG2 THR 82 6.798 -1.551 -7.234 644 2HG2 THR 82 2HG2 THR 82 5.452 -1.147 -6.273 645 3HG2 THR 82 3HG2 THR 82 6.619 0.142 -6.680 646 H PHE 83 H PHE 83 5.766 1.255 -4.236 647 HA PHE 83 HA PHE 83 3.622 0.586 -2.183 648 1HB PHE 83 1HB PHE 83 5.030 3.297 -2.932 649 2HB PHE 83 2HB PHE 83 3.614 3.179 -1.825 650 HD1 PHE 83 1HD PHE 83 7.078 3.743 -2.183 651 HD2 PHE 83 2HD PHE 83 4.434 1.427 0.262 652 HE1 PHE 83 1HE PHE 83 9.099 3.110 -0.638 653 HE2 PHE 83 2HE PHE 83 6.285 0.909 1.784 654 HZ PHE 83 HZ PHE 83 8.550 1.880 1.446 655 H ILE 84 H ILE 84 1.917 0.633 -3.110 656 HA ILE 84 HA ILE 84 1.348 1.751 -5.821 657 HB ILE 84 HB ILE 84 1.220 -1.101 -5.133 658 1HG1 ILE 84 1HG1 ILE 84 1.450 0.265 -8.075 659 2HG1 ILE 84 2HG1 ILE 84 2.866 0.430 -6.882 660 1HG2 ILE 84 1HG2 ILE 84 -0.617 0.019 -7.229 661 2HG2 ILE 84 2HG2 ILE 84 -0.320 -1.610 -7.007 662 3HG2 ILE 84 3HG2 ILE 84 -1.259 -0.793 -5.716 663 1HD1 ILE 84 1HD1 ILE 84 3.271 -1.780 -6.310 664 2HD1 ILE 84 2HD1 ILE 84 1.959 -2.329 -7.235 665 3HD1 ILE 84 3HD1 ILE 84 3.107 -1.432 -8.146 666 H PHE 85 H PHE 85 -0.417 2.506 -6.336 667 HA PHE 85 HA PHE 85 -2.292 3.345 -4.113 668 1HB PHE 85 1HB PHE 85 -1.095 4.945 -6.378 669 2HB PHE 85 2HB PHE 85 -2.301 5.590 -5.310 670 HD1 PHE 85 1HD PHE 85 1.106 4.152 -4.774 671 HD2 PHE 85 2HD PHE 85 -1.852 7.156 -3.647 672 HE1 PHE 85 1HE PHE 85 2.624 5.163 -2.848 673 HE2 PHE 85 2HE PHE 85 -0.496 7.844 -1.795 674 HZ PHE 85 HZ PHE 85 1.671 6.971 -1.514 675 H LEU 86 H LEU 86 -3.953 2.402 -4.694 676 HA LEU 86 HA LEU 86 -5.356 2.338 -7.368 677 1HB LEU 86 1HB LEU 86 -4.332 0.158 -6.202 678 2HB LEU 86 2HB LEU 86 -5.584 0.286 -5.016 679 HG LEU 86 HG LEU 86 -6.295 -1.444 -6.510 680 1HD1 LEU 86 1HD1 LEU 86 -8.250 -0.663 -7.676 681 2HD1 LEU 86 2HD1 LEU 86 -8.236 0.292 -6.100 682 3HD1 LEU 86 3HD1 LEU 86 -7.835 0.962 -7.720 683 1HD2 LEU 86 1HD2 LEU 86 -5.176 0.156 -8.805 684 2HD2 LEU 86 2HD2 LEU 86 -4.797 -1.347 -8.189 685 3HD2 LEU 86 3HD2 LEU 86 -6.393 -1.061 -8.910 686 H LYS 87 H LYS 87 -7.034 3.369 -7.171 687 HA LYS 87 HA LYS 87 -8.580 4.401 -4.750 688 1HB LYS 87 1HB LYS 87 -7.064 6.081 -6.071 689 2HB LYS 87 2HB LYS 87 -8.319 5.796 -7.349 690 1HG LYS 87 1HG LYS 87 -9.818 7.024 -5.804 691 2HG LYS 87 2HG LYS 87 -8.768 6.709 -4.433 692 1HD LYS 87 1HD LYS 87 -7.135 8.393 -5.266 693 2HD LYS 87 2HD LYS 87 -7.921 8.508 -6.778 694 1HE LYS 87 1HE LYS 87 -9.127 10.370 -5.688 695 2HE LYS 87 2HE LYS 87 -10.049 8.995 -5.241 696 1HZ LYS 87 1HZ LYS 87 -8.878 8.903 -3.121 697 2HZ LYS 87 2HZ LYS 87 -7.781 9.981 -3.674 698 H ASP 88 H ASP 88 -10.919 4.846 -5.419 699 HA ASP 88 HA ASP 88 -12.399 3.445 -7.235 700 1HB ASP 88 1HB ASP 88 -14.193 5.026 -6.952 701 2HB ASP 88 2HB ASP 88 -13.384 4.824 -5.479 702 HD2 ASP 88 HD ASP 88 -12.869 8.367 -5.243 703 H GLY 89 H GLY 89 -10.265 3.834 -8.827 704 1HA GLY 89 1HA GLY 89 -11.569 3.907 -11.371 705 2HA GLY 89 2HA GLY 89 -10.690 5.434 -11.092 706 H LYS 90 H LYS 90 -10.009 2.231 -10.146 707 HA LYS 90 HA LYS 90 -8.128 0.852 -10.142 708 1HB LYS 90 1HB LYS 90 -9.007 0.996 -12.856 709 2HB LYS 90 2HB LYS 90 -7.292 1.325 -13.093 710 1HG LYS 90 1HG LYS 90 -6.520 -0.683 -12.241 711 2HG LYS 90 2HG LYS 90 -8.020 -1.301 -11.548 712 1HD LYS 90 1HD LYS 90 -7.675 -0.637 -14.559 713 2HD LYS 90 2HD LYS 90 -7.178 -2.162 -13.802 714 1HE LYS 90 1HE LYS 90 -9.447 -2.776 -13.254 715 2HE LYS 90 2HE LYS 90 -10.247 -1.231 -13.707 716 1HZ LYS 90 1HZ LYS 90 -9.846 -1.606 -15.882 717 2HZ LYS 90 2HZ LYS 90 -10.397 -3.040 -15.279 718 H LEU 91 H LEU 91 -5.781 0.771 -11.406 719 HA LEU 91 HA LEU 91 -3.996 1.786 -9.522 720 1HB LEU 91 1HB LEU 91 -3.574 -0.046 -11.143 721 2HB LEU 91 2HB LEU 91 -3.579 1.068 -12.474 722 HG LEU 91 HG LEU 91 -1.563 2.221 -11.660 723 1HD1 LEU 91 1HD1 LEU 91 -0.135 0.902 -9.821 724 2HD1 LEU 91 2HD1 LEU 91 -1.612 1.690 -9.270 725 3HD1 LEU 91 3HD1 LEU 91 -1.458 -0.010 -9.405 726 1HD2 LEU 91 1HD2 LEU 91 0.069 0.334 -12.354 727 2HD2 LEU 91 2HD2 LEU 91 -1.116 -0.846 -12.053 728 3HD2 LEU 91 3HD2 LEU 91 -1.292 0.265 -13.495 729 H VAL 92 H VAL 92 -4.632 3.885 -9.226 730 HA VAL 92 HA VAL 92 -4.020 6.111 -10.910 731 HB VAL 92 HB VAL 92 -4.146 7.686 -9.135 732 1HG1 VAL 92 1HG1 VAL 92 -6.547 7.243 -8.518 733 2HG1 VAL 92 2HG1 VAL 92 -6.425 6.640 -10.084 734 3HG1 VAL 92 3HG1 VAL 92 -6.380 5.524 -8.891 735 1HG2 VAL 92 1HG2 VAL 92 -4.605 5.587 -6.971 736 2HG2 VAL 92 2HG2 VAL 92 -2.963 6.114 -7.137 737 3HG2 VAL 92 3HG2 VAL 92 -4.211 7.331 -6.760 738 H ASP 93 H ASP 93 -1.759 4.451 -8.915 739 HA ASP 93 HA ASP 93 0.500 5.834 -9.978 740 1HB ASP 93 1HB ASP 93 -0.420 7.756 -8.234 741 2HB ASP 93 2HB ASP 93 0.267 6.773 -6.922 742 HD2 ASP 93 HD ASP 93 0.660 8.154 -10.026 743 H LYS 94 H LYS 94 2.768 5.580 -8.889 744 HA LYS 94 HA LYS 94 3.025 3.061 -7.295 745 1HB LYS 94 1HB LYS 94 4.162 1.834 -8.930 746 2HB LYS 94 2HB LYS 94 2.429 2.048 -9.249 747 1HG LYS 94 1HG LYS 94 4.910 3.346 -10.873 748 2HG LYS 94 2HG LYS 94 4.004 2.113 -11.401 749 1HD LYS 94 1HD LYS 94 3.062 4.917 -11.088 750 2HD LYS 94 2HD LYS 94 3.579 4.072 -12.485 751 1HE LYS 94 1HE LYS 94 1.656 2.589 -12.394 752 2HE LYS 94 2HE LYS 94 1.066 3.350 -10.908 753 1HZ LYS 94 1HZ LYS 94 1.162 4.353 -13.633 754 2HZ LYS 94 2HZ LYS 94 -0.071 4.466 -12.458 755 H THR 95 H THR 95 5.376 2.869 -6.757 756 HA THR 95 HA THR 95 7.271 4.856 -7.432 757 HB THR 95 HB THR 95 5.749 5.226 -4.844 758 HG1 THR 95 1HG THR 95 5.130 6.342 -6.435 759 1HG2 THR 95 1HG2 THR 95 8.228 5.581 -3.917 760 2HG2 THR 95 2HG2 THR 95 8.723 6.253 -5.445 761 3HG2 THR 95 3HG2 THR 95 7.683 6.989 -4.215 762 H VAL 96 H VAL 96 9.104 4.093 -6.346 763 HA VAL 96 HA VAL 96 9.126 1.548 -4.682 764 HB VAL 96 HB VAL 96 9.032 0.790 -6.661 765 1HG1 VAL 96 1HG1 VAL 96 9.805 2.444 -8.271 766 2HG1 VAL 96 2HG1 VAL 96 11.337 2.297 -7.852 767 3HG1 VAL 96 3HG1 VAL 96 10.657 0.886 -8.639 768 1HG2 VAL 96 1HG2 VAL 96 10.597 -0.992 -6.397 769 2HG2 VAL 96 2HG2 VAL 96 11.949 0.148 -6.453 770 3HG2 VAL 96 3HG2 VAL 96 10.912 -0.108 -4.928 771 H GLY 97 H GLY 97 10.198 2.261 -3.044 772 1HA GLY 97 1HA GLY 97 12.620 2.090 -2.410 773 2HA GLY 97 2HA GLY 97 12.795 3.852 -2.932 774 H ALA 98 H ALA 98 12.699 1.942 -0.316 775 HA ALA 98 HA ALA 98 10.555 2.916 1.522 776 1HB ALA 98 1HB ALA 98 11.579 0.571 2.066 777 2HB ALA 98 2HB ALA 98 13.184 1.353 2.294 778 3HB ALA 98 3HB ALA 98 11.666 1.757 3.275 779 H ASP 99 H ASP 99 10.575 4.850 2.734 780 HA ASP 99 HA ASP 99 13.022 6.076 3.591 781 1HB ASP 99 1HB ASP 99 12.904 6.759 1.155 782 2HB ASP 99 2HB ASP 99 11.351 7.642 1.401 783 HD2 ASP 99 HD ASP 99 13.473 10.354 1.648 784 H LYS 100 H LYS 100 12.526 6.948 5.474 785 HA LYS 100 HA LYS 100 9.914 7.295 6.630 786 1HB LYS 100 1HB LYS 100 10.813 8.411 8.493 787 2HB LYS 100 2HB LYS 100 11.882 7.191 7.934 788 1HG LYS 100 1HG LYS 100 13.042 9.237 6.527 789 2HG LYS 100 2HG LYS 100 12.387 10.173 7.779 790 1HD LYS 100 1HD LYS 100 13.617 8.730 9.634 791 2HD LYS 100 2HD LYS 100 14.133 7.754 8.248 792 1HE LYS 100 1HE LYS 100 15.404 9.525 7.162 793 2HE LYS 100 2HE LYS 100 14.722 10.721 8.346 794 1HZ LYS 100 1HZ LYS 100 15.856 9.162 10.103 795 2HZ LYS 100 2HZ LYS 100 16.816 8.574 8.918 796 H ASP 101 H ASP 101 11.568 10.178 5.459 797 HA ASP 101 HA ASP 101 9.289 11.814 5.473 798 1HB ASP 101 1HB ASP 101 10.639 13.554 4.544 799 2HB ASP 101 2HB ASP 101 11.710 12.557 5.520 800 HD2 ASP 101 HD ASP 101 12.500 13.642 1.813 801 H GLY 102 H GLY 102 10.491 9.834 2.913 802 1HA GLY 102 1HA GLY 102 9.437 10.691 0.452 803 2HA GLY 102 2HA GLY 102 9.641 8.991 0.874 804 H LEU 103 H LEU 103 7.940 7.978 2.226 805 HA LEU 103 HA LEU 103 5.558 7.876 0.748 806 1HB LEU 103 1HB LEU 103 6.599 5.852 1.718 807 2HB LEU 103 2HB LEU 103 6.745 6.516 3.088 808 HG LEU 103 HG LEU 103 4.052 6.205 3.370 809 1HD1 LEU 103 1HD1 LEU 103 3.185 4.422 1.760 810 2HD1 LEU 103 2HD1 LEU 103 3.348 5.952 1.000 811 3HD1 LEU 103 3HD1 LEU 103 4.517 4.749 0.675 812 1HD2 LEU 103 1HD2 LEU 103 5.700 4.739 4.624 813 2HD2 LEU 103 2HD2 LEU 103 4.404 3.631 3.857 814 3HD2 LEU 103 3HD2 LEU 103 6.009 3.903 3.087 815 HA PRO 104 HA PRO 104 3.101 10.227 4.537 816 1HB PRO 104 1HB PRO 104 5.655 11.789 5.428 817 2HB PRO 104 2HB PRO 104 4.222 11.196 6.353 818 1HG PRO 104 1HG PRO 104 6.281 9.712 6.743 819 2HG PRO 104 2HG PRO 104 4.863 8.945 6.429 820 1HD PRO 104 1HD PRO 104 6.963 9.346 4.120 821 2HD PRO 104 2HD PRO 104 6.275 7.952 4.753 822 H THR 105 H THR 105 5.758 11.516 2.580 823 HA THR 105 HA THR 105 4.430 14.131 1.924 824 HB THR 105 HB THR 105 6.944 12.997 0.334 825 HG1 THR 105 1HG THR 105 7.438 12.953 2.434 826 1HG2 THR 105 1HG2 THR 105 7.505 15.387 -0.038 827 2HG2 THR 105 2HG2 THR 105 5.767 15.183 -0.585 828 3HG2 THR 105 3HG2 THR 105 6.331 15.933 1.048 829 H LEU 106 H LEU 106 5.088 11.201 -0.043 830 HA LEU 106 HA LEU 106 3.584 11.858 -2.342 831 1HB LEU 106 1HB LEU 106 5.272 10.291 -2.479 832 2HB LEU 106 2HB LEU 106 4.461 9.193 -1.213 833 HG LEU 106 HG LEU 106 2.619 8.765 -2.895 834 1HD1 LEU 106 1HD1 LEU 106 2.729 9.046 -5.110 835 2HD1 LEU 106 2HD1 LEU 106 2.590 10.589 -4.136 836 3HD1 LEU 106 3HD1 LEU 106 4.215 10.146 -4.995 837 1HD2 LEU 106 1HD2 LEU 106 4.183 6.920 -4.164 838 2HD2 LEU 106 2HD2 LEU 106 5.389 8.192 -3.893 839 3HD2 LEU 106 3HD2 LEU 106 4.605 7.112 -2.621 840 H VAL 107 H VAL 107 2.511 10.255 0.603 841 HA VAL 107 HA VAL 107 -0.315 9.715 -0.247 842 HB VAL 107 HB VAL 107 1.069 9.481 2.530 843 1HG1 VAL 107 1HG1 VAL 107 -1.590 10.195 2.700 844 2HG1 VAL 107 2HG1 VAL 107 -1.911 8.696 1.761 845 3HG1 VAL 107 3HG1 VAL 107 -1.151 8.665 3.380 846 1HG2 VAL 107 1HG2 VAL 107 0.397 7.007 2.063 847 2HG2 VAL 107 2HG2 VAL 107 -0.023 7.403 0.427 848 3HG2 VAL 107 3HG2 VAL 107 1.578 7.533 0.902 849 H ALA 108 H ALA 108 1.306 12.273 1.860 850 HA ALA 108 HA ALA 108 -0.813 14.062 2.379 851 1HB ALA 108 1HB ALA 108 0.727 15.860 2.359 852 2HB ALA 108 2HB ALA 108 1.449 14.515 3.097 853 3HB ALA 108 3HB ALA 108 1.968 14.970 1.448 854 H LYS 109 H LYS 109 1.076 14.016 -0.530 855 HA LYS 109 HA LYS 109 -0.607 15.855 -2.277 856 1HB LYS 109 1HB LYS 109 1.416 13.638 -2.993 857 2HB LYS 109 2HB LYS 109 0.622 14.673 -4.149 858 1HG LYS 109 1HG LYS 109 1.503 16.793 -3.288 859 2HG LYS 109 2HG LYS 109 2.196 16.026 -1.942 860 1HD LYS 109 1HD LYS 109 3.833 14.616 -3.349 861 2HD LYS 109 2HD LYS 109 3.230 15.558 -4.761 862 1HE LYS 109 1HE LYS 109 4.221 17.628 -3.865 863 2HE LYS 109 2HE LYS 109 4.582 16.909 -2.241 864 1HZ LYS 109 1HZ LYS 109 6.455 16.847 -3.488 865 2HZ LYS 109 2HZ LYS 109 5.971 15.306 -3.518 866 H HIS 110 H HIS 110 -0.777 12.343 -1.961 867 HA HIS 110 HA HIS 110 -2.927 12.103 -4.054 868 1HB HIS 110 1HB HIS 110 -1.367 10.246 -2.241 869 2HB HIS 110 2HB HIS 110 -2.873 9.699 -2.604 870 HD1 HIS 110 1HD HIS 110 -3.682 9.401 -5.271 871 HD2 HIS 110 2HD HIS 110 0.324 10.631 -4.503 872 HE1 HIS 110 1HE HIS 110 -2.305 9.059 -7.382 873 H ALA 111 H ALA 111 -3.180 11.610 -0.592 874 HA ALA 111 HA ALA 111 -6.170 11.584 -0.353 875 1HB ALA 111 1HB ALA 111 -5.490 11.759 2.048 876 2HB ALA 111 2HB ALA 111 -4.399 10.576 1.359 877 3HB ALA 111 3HB ALA 111 -3.854 12.253 1.677 878 H THR 112 H THR 112 -4.061 14.238 0.043 879 HA THR 112 HA THR 112 -6.181 16.243 0.694 880 HB THR 112 HB THR 112 -3.356 16.946 -0.218 881 HG1 THR 112 1HG THR 112 -3.920 15.888 1.859 882 1HG2 THR 112 1HG2 THR 112 -5.022 18.862 -0.508 883 2HG2 THR 112 2HG2 THR 112 -5.710 18.596 1.116 884 3HG2 THR 112 3HG2 THR 112 -4.064 19.189 1.061 885 H ALA 113 H ALA 113 -4.454 15.341 -2.377 886 HA ALA 113 HA ALA 113 -6.335 16.665 -4.143 887 1HB ALA 113 1HB ALA 113 -4.641 14.192 -4.802 888 2HB ALA 113 2HB ALA 113 -5.550 15.264 -5.945 889 3HB ALA 113 3HB ALA 113 -4.193 15.957 -5.042 890 HXT ALA 113 HO ALA 113 -9.050 14.952 -4.703 Start of MODEL 16 1 1H ALA 1 1H ALA 1 -10.838 11.278 17.149 2 2H ALA 1 2H ALA 1 -11.946 10.261 17.809 3 HA ALA 1 HA ALA 1 -9.251 9.641 16.849 4 1HB ALA 1 1HB ALA 1 -9.724 7.182 17.713 5 2HB ALA 1 2HB ALA 1 -9.391 8.343 18.913 6 3HB ALA 1 3HB ALA 1 -11.097 7.899 18.556 7 H GLU 2 H GLU 2 -9.250 9.260 14.926 8 HA GLU 2 HA GLU 2 -11.277 7.781 13.350 9 1HB GLU 2 1HB GLU 2 -12.432 9.997 13.567 10 2HB GLU 2 2HB GLU 2 -11.032 10.863 12.742 11 1HG GLU 2 1HG GLU 2 -11.671 9.254 10.821 12 2HG GLU 2 2HG GLU 2 -13.153 8.853 11.702 13 HE2 GLU 2 HE GLU 2 -13.239 11.929 9.363 14 H GLU 3 H GLU 3 -9.970 6.728 11.948 15 HA GLU 3 HA GLU 3 -7.677 7.983 10.647 16 1HB GLU 3 1HB GLU 3 -5.908 6.637 11.677 17 2HB GLU 3 2HB GLU 3 -6.661 7.701 12.870 18 1HG GLU 3 1HG GLU 3 -7.993 5.595 13.730 19 2HG GLU 3 2HG GLU 3 -7.338 4.603 12.446 20 HE2 GLU 3 HE GLU 3 -4.463 3.738 14.011 21 H GLY 4 H GLY 4 -6.259 6.368 9.793 22 1HA GLY 4 1HA GLY 4 -7.617 4.439 7.846 23 2HA GLY 4 2HA GLY 4 -5.988 4.964 7.711 24 H GLN 5 H GLN 5 -6.303 2.435 7.391 25 HA GLN 5 HA GLN 5 -5.562 1.058 10.032 26 1HB GLN 5 1HB GLN 5 -7.384 -0.533 9.794 27 2HB GLN 5 2HB GLN 5 -8.011 1.128 9.894 28 1HG GLN 5 1HG GLN 5 -7.805 0.795 7.204 29 2HG GLN 5 2HG GLN 5 -8.128 -0.914 7.742 30 1HE2 GLN 5 1HE2 GLN 5 -9.863 0.231 6.043 31 2HE2 GLN 5 2HE2 GLN 5 -11.408 0.672 6.839 32 H VAL 6 H VAL 6 -3.845 -0.014 9.602 33 HA VAL 6 HA VAL 6 -2.855 -1.081 6.996 34 HB VAL 6 HB VAL 6 -1.336 -0.737 9.447 35 1HG1 VAL 6 1HG1 VAL 6 0.655 -1.067 8.046 36 2HG1 VAL 6 2HG1 VAL 6 -0.451 -2.478 8.163 37 3HG1 VAL 6 3HG1 VAL 6 -0.320 -1.472 6.677 38 1HG2 VAL 6 1HG2 VAL 6 -1.115 1.170 7.025 39 2HG2 VAL 6 2HG2 VAL 6 -1.852 1.600 8.691 40 3HG2 VAL 6 3HG2 VAL 6 -0.138 1.117 8.463 41 H ILE 7 H ILE 7 -3.300 -3.028 6.636 42 HA ILE 7 HA ILE 7 -3.456 -5.143 8.733 43 HB ILE 7 HB ILE 7 -5.748 -4.174 7.907 44 1HG1 ILE 7 1HG1 ILE 7 -5.493 -6.006 9.399 45 2HG1 ILE 7 2HG1 ILE 7 -6.882 -6.201 8.286 46 1HG2 ILE 7 1HG2 ILE 7 -6.745 -5.181 5.886 47 2HG2 ILE 7 2HG2 ILE 7 -5.302 -4.294 5.395 48 3HG2 ILE 7 3HG2 ILE 7 -5.262 -6.003 5.462 49 1HD1 ILE 7 1HD1 ILE 7 -5.382 -7.953 7.053 50 2HD1 ILE 7 2HD1 ILE 7 -4.199 -7.794 8.421 51 3HD1 ILE 7 3HD1 ILE 7 -5.816 -8.394 8.702 52 H ALA 8 H ALA 8 -2.367 -6.742 8.396 53 HA ALA 8 HA ALA 8 -0.416 -7.334 6.226 54 1HB ALA 8 1HB ALA 8 0.065 -9.300 7.690 55 2HB ALA 8 2HB ALA 8 0.017 -7.886 8.650 56 3HB ALA 8 3HB ALA 8 -1.450 -8.960 8.698 57 H CYS 9 H CYS 9 -0.627 -8.467 4.590 58 HA CYS 9 HA CYS 9 -2.965 -10.245 3.842 59 1HB CYS 9 1HB CYS 9 -1.454 -8.082 2.252 60 2HB CYS 9 2HB CYS 9 -2.534 -9.127 1.496 61 HG CYS 9 HG CYS 9 -4.644 -8.658 3.142 62 H HIS 10 H HIS 10 -2.564 -11.840 2.825 63 HA HIS 10 HA HIS 10 0.202 -12.998 2.461 64 1HB HIS 10 1HB HIS 10 -2.244 -14.213 4.014 65 2HB HIS 10 2HB HIS 10 -0.722 -15.039 3.749 66 HD1 HIS 10 1HD HIS 10 -2.427 -12.976 6.327 67 HD2 HIS 10 2HD HIS 10 1.593 -13.251 4.669 68 HE1 HIS 10 1HE HIS 10 -0.766 -11.878 7.862 69 H THR 11 H THR 11 -3.106 -13.499 1.207 70 HA THR 11 HA THR 11 -1.999 -15.060 -1.115 71 HB THR 11 HB THR 11 -3.688 -16.881 -0.609 72 HG1 THR 11 1HG THR 11 -4.851 -16.723 1.305 73 1HG2 THR 11 1HG2 THR 11 -2.900 -17.937 1.341 74 2HG2 THR 11 2HG2 THR 11 -1.438 -17.086 0.667 75 3HG2 THR 11 3HG2 THR 11 -2.233 -16.354 2.076 76 H VAL 12 H VAL 12 -4.415 -15.956 -2.133 77 HA VAL 12 HA VAL 12 -5.776 -13.587 -3.385 78 HB VAL 12 HB VAL 12 -5.639 -16.039 -4.294 79 1HG1 VAL 12 1HG1 VAL 12 -7.819 -16.733 -2.289 80 2HG1 VAL 12 2HG1 VAL 12 -7.093 -17.876 -3.515 81 3HG1 VAL 12 3HG1 VAL 12 -6.103 -17.309 -2.251 82 1HG2 VAL 12 1HG2 VAL 12 -8.629 -15.338 -4.110 83 2HG2 VAL 12 2HG2 VAL 12 -7.551 -14.446 -5.245 84 3HG2 VAL 12 3HG2 VAL 12 -7.741 -16.299 -5.305 85 H ASP 13 H ASP 13 -6.133 -14.581 -0.284 86 HA ASP 13 HA ASP 13 -8.814 -13.468 0.211 87 1HB ASP 13 1HB ASP 13 -6.308 -13.904 2.021 88 2HB ASP 13 2HB ASP 13 -7.395 -12.665 2.520 89 HD2 ASP 13 HD ASP 13 -9.118 -13.326 3.203 90 H THR 14 H THR 14 -5.646 -12.090 -0.042 91 HA THR 14 HA THR 14 -6.539 -9.248 0.312 92 HB THR 14 HB THR 14 -4.195 -9.864 0.688 93 HG1 THR 14 1HG THR 14 -4.882 -7.549 -0.602 94 1HG2 THR 14 1HG2 THR 14 -3.803 -9.246 -2.249 95 2HG2 THR 14 2HG2 THR 14 -2.502 -9.560 -0.989 96 3HG2 THR 14 3HG2 THR 14 -3.514 -10.864 -1.621 97 H TRP 15 H TRP 15 -6.017 -11.056 -2.564 98 HA TRP 15 HA TRP 15 -6.810 -9.238 -4.531 99 1HB TRP 15 1HB TRP 15 -7.281 -12.167 -4.236 100 2HB TRP 15 2HB TRP 15 -8.183 -11.465 -5.479 101 HD1 TRP 15 HD TRP 15 -4.721 -12.620 -4.984 102 HE1 TRP 15 1HE TRP 15 -3.341 -12.354 -7.129 103 HE3 TRP 15 3HE TRP 15 -7.974 -9.389 -7.273 104 HZ2 TRP 15 2HZ TRP 15 -4.082 -11.245 -9.747 105 HZ3 TRP 15 3HZ TRP 15 -7.615 -8.742 -9.630 106 HH2 TRP 15 HH TRP 15 -5.610 -9.454 -10.779 107 H LYS 16 H LYS 16 -9.194 -11.137 -2.420 108 HA LYS 16 HA LYS 16 -11.596 -9.669 -3.315 109 1HB LYS 16 1HB LYS 16 -11.109 -10.997 -0.615 110 2HB LYS 16 2HB LYS 16 -12.619 -10.456 -1.279 111 1HG LYS 16 1HG LYS 16 -12.524 -12.012 -3.188 112 2HG LYS 16 2HG LYS 16 -11.045 -12.705 -2.620 113 1HD LYS 16 1HD LYS 16 -13.652 -12.600 -1.088 114 2HD LYS 16 2HD LYS 16 -13.325 -13.867 -2.065 115 1HE LYS 16 1HE LYS 16 -11.432 -14.626 -0.609 116 2HE LYS 16 2HE LYS 16 -11.557 -13.086 0.338 117 1HZ LYS 16 1HZ LYS 16 -13.743 -13.770 1.055 118 2HZ LYS 16 2HZ LYS 16 -13.617 -15.235 0.307 119 H GLU 17 H GLU 17 -9.171 -8.974 -0.525 120 HA GLU 17 HA GLU 17 -10.642 -6.664 0.492 121 1HB GLU 17 1HB GLU 17 -7.608 -7.429 0.684 122 2HB GLU 17 2HB GLU 17 -8.517 -6.234 1.829 123 1HG GLU 17 1HG GLU 17 -9.816 -8.105 2.827 124 2HG GLU 17 2HG GLU 17 -9.123 -9.154 1.836 125 HE2 GLU 17 HE GLU 17 -6.659 -9.907 4.085 126 H HIS 18 H HIS 18 -7.796 -6.727 -1.541 127 HA HIS 18 HA HIS 18 -7.357 -3.761 -1.804 128 1HB HIS 18 1HB HIS 18 -5.768 -5.857 -2.312 129 2HB HIS 18 2HB HIS 18 -6.638 -6.079 -3.766 130 HD1 HIS 18 1HD HIS 18 -6.632 -3.300 -5.251 131 HD2 HIS 18 2HD HIS 18 -3.593 -5.574 -3.557 132 HE1 HIS 18 1HE HIS 18 -4.271 -2.609 -6.229 133 H PHE 19 H PHE 19 -8.600 -6.060 -4.186 134 HA PHE 19 HA PHE 19 -9.552 -4.215 -6.198 135 1HB PHE 19 1HB PHE 19 -9.184 -6.692 -6.382 136 2HB PHE 19 2HB PHE 19 -10.730 -7.018 -5.716 137 HD1 PHE 19 1HD PHE 19 -12.838 -6.623 -6.987 138 HD2 PHE 19 2HD PHE 19 -9.057 -5.707 -8.693 139 HE1 PHE 19 1HE PHE 19 -13.945 -6.506 -9.231 140 HE2 PHE 19 2HE PHE 19 -10.189 -5.575 -10.967 141 HZ PHE 19 HZ PHE 19 -12.500 -6.086 -11.218 142 H GLU 20 H GLU 20 -11.824 -5.847 -3.936 143 HA GLU 20 HA GLU 20 -14.288 -4.314 -4.203 144 1HB GLU 20 1HB GLU 20 -13.347 -5.654 -1.583 145 2HB GLU 20 2HB GLU 20 -15.031 -5.279 -1.979 146 1HG GLU 20 1HG GLU 20 -13.527 -7.363 -3.627 147 2HG GLU 20 2HG GLU 20 -14.686 -7.639 -2.239 148 HE2 GLU 20 HE GLU 20 -17.528 -7.155 -3.962 149 H LYS 21 H LYS 21 -11.763 -3.469 -1.977 150 HA LYS 21 HA LYS 21 -13.110 -0.984 -1.130 151 1HB LYS 21 1HB LYS 21 -10.074 -1.542 -0.974 152 2HB LYS 21 2HB LYS 21 -10.754 -0.082 -0.211 153 1HG LYS 21 1HG LYS 21 -11.494 -2.950 0.646 154 2HG LYS 21 2HG LYS 21 -10.257 -1.912 1.384 155 1HD LYS 21 1HD LYS 21 -12.151 -0.150 1.766 156 2HD LYS 21 2HD LYS 21 -13.247 -1.282 1.131 157 1HE LYS 21 1HE LYS 21 -13.475 -1.578 3.380 158 2HE LYS 21 2HE LYS 21 -12.536 -3.026 2.914 159 1HZ LYS 21 1HZ LYS 21 -11.509 -0.575 4.383 160 2HZ LYS 21 2HZ LYS 21 -11.381 -2.199 4.769 161 H GLY 22 H GLY 22 -10.172 -1.445 -3.271 162 1HA GLY 22 1HA GLY 22 -9.871 1.031 -4.432 163 2HA GLY 22 2HA GLY 22 -9.646 -0.494 -5.364 164 H LYS 23 H LYS 23 -11.421 -1.120 -6.558 165 HA LYS 23 HA LYS 23 -13.507 0.782 -7.669 166 1HB LYS 23 1HB LYS 23 -12.439 -0.724 -9.343 167 2HB LYS 23 2HB LYS 23 -13.113 -2.035 -8.545 168 1HG LYS 23 1HG LYS 23 -15.477 -0.767 -8.737 169 2HG LYS 23 2HG LYS 23 -14.544 0.247 -9.712 170 1HD LYS 23 1HD LYS 23 -15.076 -2.669 -10.125 171 2HD LYS 23 2HD LYS 23 -15.929 -1.572 -10.966 172 1HE LYS 23 1HE LYS 23 -12.930 -2.176 -11.312 173 2HE LYS 23 2HE LYS 23 -14.041 -2.628 -12.511 174 1HZ LYS 23 1HZ LYS 23 -14.196 -0.302 -13.234 175 2HZ LYS 23 2HZ LYS 23 -13.442 0.292 -11.819 176 H GLY 24 H GLY 24 -14.505 1.009 -6.186 177 1HA GLY 24 1HA GLY 24 -16.957 -0.331 -5.781 178 2HA GLY 24 2HA GLY 24 -15.983 -1.132 -4.489 179 H SER 25 H SER 25 -14.597 1.067 -3.754 180 HA SER 25 HA SER 25 -16.486 2.470 -1.909 181 1HB SER 25 1HB SER 25 -13.880 1.233 -0.874 182 2HB SER 25 2HB SER 25 -15.067 2.242 0.007 183 HG SER 25 HG SER 25 -16.438 0.419 -0.926 184 H GLN 26 H GLN 26 -16.420 4.376 -2.053 185 HA GLN 26 HA GLN 26 -14.553 6.034 -3.584 186 1HB GLN 26 1HB GLN 26 -17.120 6.778 -1.902 187 2HB GLN 26 2HB GLN 26 -16.080 8.041 -2.620 188 1HG GLN 26 1HG GLN 26 -17.800 7.541 -4.019 189 2HG GLN 26 2HG GLN 26 -16.372 6.979 -4.828 190 1HE2 GLN 26 1HE2 GLN 26 -16.813 5.239 -6.138 191 2HE2 GLN 26 2HE2 GLN 26 -17.840 3.840 -5.732 192 H LYS 27 H LYS 27 -12.701 5.526 -2.592 193 HA LYS 27 HA LYS 27 -11.547 7.493 -0.805 194 1HB LYS 27 1HB LYS 27 -10.883 5.927 1.006 195 2HB LYS 27 2HB LYS 27 -12.615 5.853 0.852 196 1HG LYS 27 1HG LYS 27 -12.364 3.591 -0.408 197 2HG LYS 27 2HG LYS 27 -10.604 3.796 -0.305 198 1HD LYS 27 1HD LYS 27 -11.280 2.191 1.274 199 2HD LYS 27 2HD LYS 27 -10.527 3.553 2.171 200 1HE LYS 27 1HE LYS 27 -12.839 4.364 2.726 201 2HE LYS 27 2HE LYS 27 -13.671 3.238 1.758 202 1HZ LYS 27 1HZ LYS 27 -12.298 1.564 2.926 203 2HZ LYS 27 2HZ LYS 27 -12.088 2.717 4.066 204 H LEU 28 H LEU 28 -9.294 6.865 -0.317 205 HA LEU 28 HA LEU 28 -7.785 5.955 -2.706 206 1HB LEU 28 1HB LEU 28 -7.230 8.227 -1.910 207 2HB LEU 28 2HB LEU 28 -6.783 7.531 -0.291 208 HG LEU 28 HG LEU 28 -5.017 6.206 -1.515 209 1HD1 LEU 28 1HD1 LEU 28 -4.204 7.254 -3.865 210 2HD1 LEU 28 2HD1 LEU 28 -5.505 6.117 -3.846 211 3HD1 LEU 28 3HD1 LEU 28 -5.876 7.811 -4.004 212 1HD2 LEU 28 1HD2 LEU 28 -4.466 8.173 -0.057 213 2HD2 LEU 28 2HD2 LEU 28 -3.448 8.251 -1.571 214 3HD2 LEU 28 3HD2 LEU 28 -4.851 9.290 -1.383 215 H ILE 29 H ILE 29 -6.023 4.224 -2.297 216 HA ILE 29 HA ILE 29 -6.090 2.681 0.196 217 HB ILE 29 HB ILE 29 -6.437 0.640 -0.497 218 1HG1 ILE 29 1HG1 ILE 29 -7.367 1.065 -3.381 219 2HG1 ILE 29 2HG1 ILE 29 -5.693 0.649 -3.024 220 1HG2 ILE 29 1HG2 ILE 29 -8.704 0.459 -0.655 221 2HG2 ILE 29 2HG2 ILE 29 -8.469 2.142 0.023 222 3HG2 ILE 29 3HG2 ILE 29 -8.868 1.946 -1.582 223 1HD1 ILE 29 1HD1 ILE 29 -6.839 -1.164 -3.627 224 2HD1 ILE 29 2HD1 ILE 29 -6.518 -1.387 -2.002 225 3HD1 ILE 29 3HD1 ILE 29 -8.140 -0.949 -2.444 226 H VAL 30 H VAL 30 -3.993 1.732 0.222 227 HA VAL 30 HA VAL 30 -1.895 2.452 -1.754 228 HB VAL 30 HB VAL 30 -1.456 3.711 0.837 229 1HG1 VAL 30 1HG1 VAL 30 0.183 3.926 -1.941 230 2HG1 VAL 30 2HG1 VAL 30 0.463 4.859 -0.408 231 3HG1 VAL 30 3HG1 VAL 30 0.873 3.164 -0.427 232 1HG2 VAL 30 1HG2 VAL 30 -1.525 5.869 -0.369 233 2HG2 VAL 30 2HG2 VAL 30 -2.175 5.072 -1.819 234 3HG2 VAL 30 3HG2 VAL 30 -3.128 5.100 -0.371 235 H VAL 31 H VAL 31 -0.681 0.939 -1.782 236 HA VAL 31 HA VAL 31 -0.459 -1.265 0.292 237 HB VAL 31 HB VAL 31 -2.140 -1.597 -1.100 238 1HG1 VAL 31 1HG1 VAL 31 -1.959 -0.563 -3.179 239 2HG1 VAL 31 2HG1 VAL 31 -0.478 -1.414 -3.580 240 3HG1 VAL 31 3HG1 VAL 31 -2.115 -2.317 -3.482 241 1HG2 VAL 31 1HG2 VAL 31 -1.431 -3.916 -1.969 242 2HG2 VAL 31 2HG2 VAL 31 0.359 -3.502 -1.942 243 3HG2 VAL 31 3HG2 VAL 31 -0.557 -3.589 -0.442 244 H ASP 32 H ASP 32 1.488 -1.485 0.870 245 HA ASP 32 HA ASP 32 3.981 -1.372 -0.569 246 1HB ASP 32 1HB ASP 32 3.638 -1.078 1.909 247 2HB ASP 32 2HB ASP 32 3.748 -2.800 2.118 248 HD2 ASP 32 HD ASP 32 7.196 -1.579 0.704 249 H PHE 33 H PHE 33 5.363 -3.079 -1.309 250 HA PHE 33 HA PHE 33 4.391 -5.857 -1.529 251 1HB PHE 33 1HB PHE 33 5.508 -4.254 -3.874 252 2HB PHE 33 2HB PHE 33 5.423 -5.911 -3.671 253 HD1 PHE 33 1HD PHE 33 3.459 -7.319 -3.826 254 HD2 PHE 33 2HD PHE 33 3.036 -3.014 -4.229 255 HE1 PHE 33 1HE PHE 33 0.990 -7.485 -4.097 256 HE2 PHE 33 2HE PHE 33 0.813 -3.268 -4.858 257 HZ PHE 33 HZ PHE 33 -0.276 -5.469 -4.653 258 H THR 34 H THR 34 6.100 -6.921 -0.336 259 HA THR 34 HA THR 34 8.762 -5.758 -0.124 260 HB THR 34 HB THR 34 7.919 -4.200 1.475 261 HG1 THR 34 1HG THR 34 9.347 -5.778 3.200 262 1HG2 THR 34 1HG2 THR 34 6.084 -5.661 2.542 263 2HG2 THR 34 2HG2 THR 34 7.271 -6.355 3.669 264 3HG2 THR 34 3HG2 THR 34 6.981 -4.638 3.629 265 H ALA 35 H ALA 35 9.801 -7.449 0.397 266 HA ALA 35 HA ALA 35 8.871 -10.033 1.592 267 1HB ALA 35 1HB ALA 35 10.806 -9.814 -0.175 268 2HB ALA 35 2HB ALA 35 11.882 -9.365 1.100 269 3HB ALA 35 3HB ALA 35 11.013 -10.882 1.105 270 H SER 36 H SER 36 9.105 -10.863 3.719 271 HA SER 36 HA SER 36 9.397 -9.247 6.064 272 1HB SER 36 1HB SER 36 8.453 -11.675 5.822 273 2HB SER 36 2HB SER 36 10.187 -12.211 5.721 274 HG SER 36 HG SER 36 9.528 -12.181 7.879 275 H TRP 37 H TRP 37 12.019 -11.066 4.392 276 HA TRP 37 HA TRP 37 14.074 -10.036 6.074 277 1HB TRP 37 1HB TRP 37 15.672 -11.033 4.487 278 2HB TRP 37 2HB TRP 37 14.439 -12.067 5.052 279 HD1 TRP 37 HD TRP 37 12.541 -13.302 3.520 280 HE1 TRP 37 1HE TRP 37 12.332 -13.851 0.925 281 HE3 TRP 37 3HE TRP 37 15.971 -9.857 1.724 282 HZ2 TRP 37 2HZ TRP 37 13.453 -12.700 -1.415 283 HZ3 TRP 37 3HZ TRP 37 16.448 -9.800 -0.702 284 HH2 TRP 37 HH TRP 37 15.249 -11.215 -2.236 285 H CYS 38 H CYS 38 13.218 -7.871 5.921 286 HA CYS 38 HA CYS 38 14.977 -6.141 4.298 287 1HB CYS 38 1HB CYS 38 12.788 -6.412 2.837 288 2HB CYS 38 2HB CYS 38 11.936 -5.899 4.081 289 HG CYS 38 HG CYS 38 13.527 -4.183 1.920 290 HA PRO 39 HA PRO 39 14.743 -4.482 8.682 291 1HB PRO 39 1HB PRO 39 17.429 -3.543 7.979 292 2HB PRO 39 2HB PRO 39 16.697 -4.137 9.538 293 1HG PRO 39 1HG PRO 39 18.162 -5.856 8.074 294 2HG PRO 39 2HG PRO 39 16.718 -6.250 8.957 295 1HD PRO 39 1HD PRO 39 17.077 -5.690 6.023 296 2HD PRO 39 2HD PRO 39 16.108 -6.991 6.841 297 HA PRO 40 HA PRO 40 14.778 0.059 6.496 298 1HB PRO 40 1HB PRO 40 14.787 -0.990 3.660 299 2HB PRO 40 2HB PRO 40 15.312 0.625 4.298 300 1HG PRO 40 1HG PRO 40 16.950 -1.483 3.682 301 2HG PRO 40 2HG PRO 40 17.248 -0.396 5.139 302 1HD PRO 40 1HD PRO 40 16.231 -3.299 5.012 303 2HD PRO 40 2HD PRO 40 17.163 -2.325 6.279 304 H CYS 41 H CYS 41 12.738 -2.404 4.700 305 HA CYS 41 HA CYS 41 10.280 -1.152 5.558 306 1HB CYS 41 1HB CYS 41 10.281 -3.927 4.300 307 2HB CYS 41 2HB CYS 41 8.957 -2.780 4.397 308 HG CYS 41 HG CYS 41 9.212 -2.081 2.184 309 H LYS 42 H LYS 42 12.139 -3.194 7.370 310 HA LYS 42 HA LYS 42 10.118 -3.916 9.265 311 1HB LYS 42 1HB LYS 42 12.410 -4.964 9.078 312 2HB LYS 42 2HB LYS 42 13.050 -3.710 10.097 313 1HG LYS 42 1HG LYS 42 11.565 -4.259 12.056 314 2HG LYS 42 2HG LYS 42 10.667 -5.492 11.061 315 1HD LYS 42 1HD LYS 42 12.992 -6.662 10.774 316 2HD LYS 42 2HD LYS 42 13.740 -5.420 11.765 317 1HE LYS 42 1HE LYS 42 13.324 -7.055 13.552 318 2HE LYS 42 2HE LYS 42 11.685 -6.300 13.553 319 1HZ LYS 42 1HZ LYS 42 10.850 -8.005 12.395 320 2HZ LYS 42 2HZ LYS 42 12.099 -8.362 11.572 321 H MET 43 H MET 43 12.250 -1.175 9.204 322 HA MET 43 HA MET 43 10.705 0.448 11.185 323 1HB MET 43 1HB MET 43 12.246 2.123 10.999 324 2HB MET 43 2HB MET 43 13.154 0.715 10.926 325 1HG MET 43 1HG MET 43 13.437 0.950 8.392 326 2HG MET 43 2HG MET 43 12.676 2.518 8.535 327 1HE MET 43 1HE MET 43 15.379 3.434 7.573 328 2HE MET 43 2HE MET 43 16.880 3.032 8.504 329 3HE MET 43 3HE MET 43 15.947 1.752 7.615 330 H ILE 44 H ILE 44 10.516 0.367 7.634 331 HA ILE 44 HA ILE 44 8.513 2.300 7.553 332 HB ILE 44 HB ILE 44 9.857 1.158 5.549 333 1HG1 ILE 44 1HG1 ILE 44 8.465 2.617 4.057 334 2HG1 ILE 44 2HG1 ILE 44 7.474 3.014 5.368 335 1HG2 ILE 44 1HG2 ILE 44 6.961 0.339 4.817 336 2HG2 ILE 44 2HG2 ILE 44 8.482 0.178 3.953 337 3HG2 ILE 44 3HG2 ILE 44 8.200 -0.903 5.360 338 1HD1 ILE 44 1HD1 ILE 44 10.433 3.497 5.021 339 2HD1 ILE 44 2HD1 ILE 44 9.225 4.716 4.972 340 3HD1 ILE 44 3HD1 ILE 44 9.628 3.819 6.555 341 H ALA 45 H ALA 45 7.910 -0.978 8.722 342 HA ALA 45 HA ALA 45 4.995 -0.853 8.479 343 1HB ALA 45 1HB ALA 45 6.900 -2.632 10.199 344 2HB ALA 45 2HB ALA 45 5.221 -2.880 10.086 345 3HB ALA 45 3HB ALA 45 6.290 -2.950 8.678 346 HA PRO 46 HA PRO 46 4.669 1.507 12.615 347 1HB PRO 46 1HB PRO 46 7.595 2.502 12.887 348 2HB PRO 46 2HB PRO 46 6.423 2.197 14.189 349 1HG PRO 46 1HG PRO 46 8.470 0.367 13.413 350 2HG PRO 46 2HG PRO 46 6.987 -0.193 14.004 351 1HD PRO 46 1HD PRO 46 8.024 -0.055 11.174 352 2HD PRO 46 2HD PRO 46 6.868 -1.265 11.969 353 H ILE 47 H ILE 47 6.898 2.774 9.975 354 HA ILE 47 HA ILE 47 6.010 5.636 10.044 355 HB ILE 47 HB ILE 47 7.524 4.041 7.888 356 1HG1 ILE 47 1HG1 ILE 47 8.912 4.532 9.830 357 2HG1 ILE 47 2HG1 ILE 47 9.359 5.530 8.414 358 1HG2 ILE 47 1HG2 ILE 47 6.312 5.687 6.449 359 2HG2 ILE 47 2HG2 ILE 47 6.550 6.938 7.713 360 3HG2 ILE 47 3HG2 ILE 47 7.943 6.216 6.786 361 1HD1 ILE 47 1HD1 ILE 47 9.738 6.722 10.474 362 2HD1 ILE 47 2HD1 ILE 47 8.180 7.470 9.805 363 3HD1 ILE 47 3HD1 ILE 47 8.021 6.289 11.034 364 H PHE 48 H PHE 48 5.092 2.951 8.196 365 HA PHE 48 HA PHE 48 2.956 4.236 6.610 366 1HB PHE 48 1HB PHE 48 4.226 2.161 6.016 367 2HB PHE 48 2HB PHE 48 3.367 1.195 7.288 368 HD1 PHE 48 1HD PHE 48 1.842 -0.332 6.119 369 HD2 PHE 48 2HD PHE 48 2.520 3.540 4.331 370 HE1 PHE 48 1HE PHE 48 0.574 -1.067 4.155 371 HE2 PHE 48 2HE PHE 48 1.349 2.638 2.253 372 HZ PHE 48 HZ PHE 48 0.410 0.391 2.230 373 H ALA 49 H ALA 49 2.894 2.674 9.803 374 HA ALA 49 HA ALA 49 -0.083 2.973 10.196 375 1HB ALA 49 1HB ALA 49 1.152 1.156 11.406 376 2HB ALA 49 2HB ALA 49 2.118 2.336 12.307 377 3HB ALA 49 3HB ALA 49 0.390 2.324 12.582 378 H GLU 50 H GLU 50 2.911 4.916 11.153 379 HA GLU 50 HA GLU 50 1.462 6.871 12.710 380 1HB GLU 50 1HB GLU 50 4.095 6.534 12.637 381 2HB GLU 50 2HB GLU 50 4.012 7.217 11.032 382 1HG GLU 50 1HG GLU 50 3.015 9.369 12.133 383 2HG GLU 50 2HG GLU 50 3.156 8.525 13.703 384 HE2 GLU 50 HE GLU 50 5.720 11.023 13.422 385 H LEU 51 H LEU 51 2.285 7.106 9.343 386 HA LEU 51 HA LEU 51 0.817 9.416 8.798 387 1HB LEU 51 1HB LEU 51 2.616 8.737 7.398 388 2HB LEU 51 2HB LEU 51 2.068 7.083 7.222 389 HG LEU 51 HG LEU 51 2.104 8.547 5.149 390 1HD1 LEU 51 1HD1 LEU 51 0.349 7.460 4.051 391 2HD1 LEU 51 2HD1 LEU 51 0.303 6.505 5.591 392 3HD1 LEU 51 3HD1 LEU 51 -0.822 7.695 5.370 393 1HD2 LEU 51 1HD2 LEU 51 1.373 10.676 6.059 394 2HD2 LEU 51 2HD2 LEU 51 0.304 10.148 4.754 395 3HD2 LEU 51 3HD2 LEU 51 -0.223 10.095 6.427 396 H ALA 52 H ALA 52 -0.338 6.020 8.874 397 HA ALA 52 HA ALA 52 -3.146 6.483 7.865 398 1HB ALA 52 1HB ALA 52 -2.067 4.181 8.074 399 2HB ALA 52 2HB ALA 52 -2.180 4.432 9.874 400 3HB ALA 52 3HB ALA 52 -3.651 4.255 8.779 401 H LYS 53 H LYS 53 -1.695 6.869 10.857 402 HA LYS 53 HA LYS 53 -4.068 7.545 12.495 403 1HB LYS 53 1HB LYS 53 -1.218 8.190 13.386 404 2HB LYS 53 2HB LYS 53 -2.728 8.389 14.256 405 1HG LYS 53 1HG LYS 53 -3.201 6.114 14.314 406 2HG LYS 53 2HG LYS 53 -1.900 5.701 13.311 407 1HD LYS 53 1HD LYS 53 -0.229 6.631 14.984 408 2HD LYS 53 2HD LYS 53 -1.668 6.824 16.056 409 1HE LYS 53 1HE LYS 53 -2.195 4.461 16.059 410 2HE LYS 53 2HE LYS 53 -0.980 4.115 14.746 411 1HZ LYS 53 1HZ LYS 53 -0.430 5.187 17.493 412 2HZ LYS 53 2HZ LYS 53 -0.081 3.667 17.007 413 H LYS 54 H LYS 54 -1.916 9.353 10.482 414 HA LYS 54 HA LYS 54 -2.487 12.141 11.293 415 1HB LYS 54 1HB LYS 54 -0.198 11.212 10.381 416 2HB LYS 54 2HB LYS 54 -1.087 11.099 8.781 417 1HG LYS 54 1HG LYS 54 -1.505 13.609 9.026 418 2HG LYS 54 2HG LYS 54 -0.579 13.581 10.575 419 1HD LYS 54 1HD LYS 54 0.570 12.649 7.843 420 2HD LYS 54 2HD LYS 54 0.852 14.289 8.467 421 1HE LYS 54 1HE LYS 54 2.002 13.278 10.512 422 2HE LYS 54 2HE LYS 54 1.937 11.664 9.782 423 1HZ LYS 54 1HZ LYS 54 3.992 12.752 9.404 424 2HZ LYS 54 2HZ LYS 54 3.126 12.414 8.004 425 H PHE 55 H PHE 55 -3.404 9.844 8.939 426 HA PHE 55 HA PHE 55 -5.180 11.766 7.528 427 1HB PHE 55 1HB PHE 55 -2.873 10.060 6.682 428 2HB PHE 55 2HB PHE 55 -4.216 10.137 5.520 429 HD1 PHE 55 1HD PHE 55 -1.261 11.855 6.724 430 HD2 PHE 55 2HD PHE 55 -4.995 12.470 4.724 431 HE1 PHE 55 1HE PHE 55 -0.500 14.084 5.963 432 HE2 PHE 55 2HE PHE 55 -4.123 14.703 3.869 433 HZ PHE 55 HZ PHE 55 -1.968 15.403 4.325 434 HA PRO 56 HA PRO 56 -8.173 8.235 8.307 435 1HB PRO 56 1HB PRO 56 -10.562 9.582 8.085 436 2HB PRO 56 2HB PRO 56 -9.478 9.577 9.574 437 1HG PRO 56 1HG PRO 56 -9.556 11.733 7.447 438 2HG PRO 56 2HG PRO 56 -9.500 11.834 9.199 439 1HD PRO 56 1HD PRO 56 -7.298 12.115 7.571 440 2HD PRO 56 2HD PRO 56 -7.141 11.616 9.270 441 H ASN 57 H ASN 57 -7.876 9.692 5.208 442 HA ASN 57 HA ASN 57 -10.533 9.112 3.984 443 1HB ASN 57 1HB ASN 57 -9.844 10.469 1.964 444 2HB ASN 57 2HB ASN 57 -9.833 11.320 3.483 445 1HD2 ASN 57 2HD2 ASN 57 -7.776 12.201 4.270 446 2HD2 ASN 57 1HD2 ASN 57 -6.430 12.358 3.051 447 H VAL 58 H VAL 58 -7.897 7.424 4.734 448 HA VAL 58 HA VAL 58 -7.538 6.005 2.112 449 HB VAL 58 HB VAL 58 -6.182 7.780 2.087 450 1HG1 VAL 58 1HG1 VAL 58 -5.165 7.247 4.850 451 2HG1 VAL 58 2HG1 VAL 58 -4.193 8.283 3.800 452 3HG1 VAL 58 3HG1 VAL 58 -5.806 8.774 4.361 453 1HG2 VAL 58 1HG2 VAL 58 -5.301 5.820 1.195 454 2HG2 VAL 58 2HG2 VAL 58 -3.975 6.988 1.863 455 3HG2 VAL 58 3HG2 VAL 58 -4.471 5.471 2.711 456 H THR 59 H THR 59 -7.878 3.992 2.301 457 HA THR 59 HA THR 59 -7.088 2.266 4.665 458 HB THR 59 HB THR 59 -8.329 1.503 1.984 459 HG1 THR 59 1HG THR 59 -10.117 1.487 2.988 460 1HG2 THR 59 1HG2 THR 59 -7.792 -0.392 4.267 461 2HG2 THR 59 2HG2 THR 59 -8.788 -0.823 2.716 462 3HG2 THR 59 3HG2 THR 59 -7.038 -0.435 2.597 463 H PHE 60 H PHE 60 -5.686 0.552 4.538 464 HA PHE 60 HA PHE 60 -3.327 0.734 2.739 465 1HB PHE 60 1HB PHE 60 -3.249 1.024 5.871 466 2HB PHE 60 2HB PHE 60 -1.750 0.888 4.917 467 HD1 PHE 60 1HD PHE 60 -1.466 2.795 3.068 468 HD2 PHE 60 2HD PHE 60 -4.180 3.140 6.291 469 HE1 PHE 60 1HE PHE 60 -1.201 5.228 2.976 470 HE2 PHE 60 2HE PHE 60 -3.983 5.571 6.232 471 HZ PHE 60 HZ PHE 60 -2.545 6.628 4.490 472 H LEU 61 H LEU 61 -2.474 -1.090 2.314 473 HA LEU 61 HA LEU 61 -2.466 -3.357 4.166 474 1HB LEU 61 1HB LEU 61 -3.629 -4.784 2.702 475 2HB LEU 61 2HB LEU 61 -4.592 -3.344 2.821 476 HG LEU 61 HG LEU 61 -3.014 -2.967 0.426 477 1HD1 LEU 61 1HD1 LEU 61 -3.745 -5.824 0.231 478 2HD1 LEU 61 2HD1 LEU 61 -2.954 -4.839 -0.948 479 3HD1 LEU 61 3HD1 LEU 61 -2.117 -5.218 0.489 480 1HD2 LEU 61 1HD2 LEU 61 -5.342 -2.448 0.501 481 2HD2 LEU 61 2HD2 LEU 61 -4.915 -3.372 -0.838 482 3HD2 LEU 61 3HD2 LEU 61 -5.776 -4.186 0.567 483 H LYS 62 H LYS 62 -1.279 -5.184 3.398 484 HA LYS 62 HA LYS 62 1.160 -4.378 1.984 485 1HB LYS 62 1HB LYS 62 2.732 -4.681 3.781 486 2HB LYS 62 2HB LYS 62 1.485 -3.403 4.135 487 1HG LYS 62 1HG LYS 62 0.430 -5.384 5.519 488 2HG LYS 62 2HG LYS 62 1.955 -6.208 5.230 489 1HD LYS 62 1HD LYS 62 1.613 -3.516 6.698 490 2HD LYS 62 2HD LYS 62 1.767 -5.032 7.607 491 1HE LYS 62 1HE LYS 62 4.137 -4.021 6.005 492 2HE LYS 62 2HE LYS 62 3.810 -3.799 7.658 493 1HZ LYS 62 1HZ LYS 62 4.935 -5.759 7.870 494 2HZ LYS 62 2HZ LYS 62 4.746 -6.086 6.301 495 H VAL 63 H VAL 63 1.359 -5.863 0.707 496 HA VAL 63 HA VAL 63 0.777 -8.694 0.962 497 HB VAL 63 HB VAL 63 1.767 -6.922 -1.339 498 1HG1 VAL 63 1HG1 VAL 63 1.042 -9.964 -1.171 499 2HG1 VAL 63 2HG1 VAL 63 1.133 -9.155 -2.659 500 3HG1 VAL 63 3HG1 VAL 63 2.580 -9.348 -1.710 501 1HG2 VAL 63 1HG2 VAL 63 -0.926 -8.192 -0.476 502 2HG2 VAL 63 2HG2 VAL 63 -0.573 -6.485 -0.994 503 3HG2 VAL 63 3HG2 VAL 63 -0.663 -7.727 -2.136 504 H ASP 64 H ASP 64 2.205 -10.004 1.855 505 HA ASP 64 HA ASP 64 5.093 -9.979 1.894 506 1HB ASP 64 1HB ASP 64 3.850 -11.068 3.767 507 2HB ASP 64 2HB ASP 64 3.100 -12.237 2.667 508 HD2 ASP 64 HD ASP 64 5.891 -14.354 2.669 509 H VAL 65 H VAL 65 6.298 -10.141 0.157 510 HA VAL 65 HA VAL 65 5.342 -10.809 -2.495 511 HB VAL 65 HB VAL 65 7.021 -8.928 -1.603 512 1HG1 VAL 65 1HG1 VAL 65 8.851 -10.727 -0.955 513 2HG1 VAL 65 2HG1 VAL 65 9.055 -10.890 -2.676 514 3HG1 VAL 65 3HG1 VAL 65 9.402 -9.391 -1.866 515 1HG2 VAL 65 1HG2 VAL 65 7.775 -8.801 -4.174 516 2HG2 VAL 65 2HG2 VAL 65 6.690 -10.036 -4.298 517 3HG2 VAL 65 3HG2 VAL 65 6.111 -8.479 -3.596 518 H ASP 66 H ASP 66 7.839 -12.459 -0.380 519 HA ASP 66 HA ASP 66 8.342 -14.760 -1.696 520 1HB ASP 66 1HB ASP 66 7.353 -14.658 1.197 521 2HB ASP 66 2HB ASP 66 8.198 -16.124 0.580 522 HD2 ASP 66 HD ASP 66 10.370 -13.130 2.035 523 H GLU 67 H GLU 67 5.434 -14.795 0.277 524 HA GLU 67 HA GLU 67 3.992 -16.803 -1.294 525 1HB GLU 67 1HB GLU 67 2.794 -14.611 0.324 526 2HB GLU 67 2HB GLU 67 1.967 -16.099 -0.301 527 1HG GLU 67 1HG GLU 67 3.528 -17.552 1.067 528 2HG GLU 67 2HG GLU 67 4.216 -16.076 1.856 529 HE2 GLU 67 HE GLU 67 0.768 -17.567 3.090 530 H LEU 68 H LEU 68 4.148 -13.511 -2.209 531 HA LEU 68 HA LEU 68 2.201 -13.932 -4.490 532 1HB LEU 68 1HB LEU 68 1.998 -11.687 -2.287 533 2HB LEU 68 2HB LEU 68 1.068 -11.576 -3.781 534 HG LEU 68 HG LEU 68 0.725 -13.718 -1.586 535 1HD1 LEU 68 1HD1 LEU 68 -1.661 -12.433 -1.723 536 2HD1 LEU 68 2HD1 LEU 68 -0.197 -11.651 -0.937 537 3HD1 LEU 68 3HD1 LEU 68 -0.746 -11.200 -2.553 538 1HD2 LEU 68 1HD2 LEU 68 -0.836 -13.447 -4.219 539 2HD2 LEU 68 2HD2 LEU 68 0.250 -14.735 -3.668 540 3HD2 LEU 68 3HD2 LEU 68 -1.273 -14.473 -2.837 541 H LYS 69 H LYS 69 4.655 -13.820 -4.761 542 HA LYS 69 HA LYS 69 5.706 -11.354 -6.011 543 1HB LYS 69 1HB LYS 69 7.504 -12.442 -7.067 544 2HB LYS 69 2HB LYS 69 7.451 -12.736 -5.402 545 1HG LYS 69 1HG LYS 69 6.294 -14.969 -5.632 546 2HG LYS 69 2HG LYS 69 6.383 -14.709 -7.338 547 1HD LYS 69 1HD LYS 69 7.988 -16.295 -6.687 548 2HD LYS 69 2HD LYS 69 8.920 -14.866 -7.092 549 1HE LYS 69 1HE LYS 69 9.228 -14.292 -4.560 550 2HE LYS 69 2HE LYS 69 8.071 -15.581 -4.098 551 1HZ LYS 69 1HZ LYS 69 10.686 -16.019 -3.964 552 2HZ LYS 69 2HZ LYS 69 9.578 -17.080 -4.281 553 H ALA 70 H ALA 70 3.978 -13.900 -7.510 554 HA ALA 70 HA ALA 70 4.443 -13.254 -10.474 555 1HB ALA 70 1HB ALA 70 2.367 -14.701 -10.723 556 2HB ALA 70 2HB ALA 70 3.686 -15.596 -9.744 557 3HB ALA 70 3HB ALA 70 2.268 -15.019 -9.034 558 H VAL 71 H VAL 71 1.917 -12.642 -8.168 559 HA VAL 71 HA VAL 71 0.298 -10.830 -9.785 560 HB VAL 71 HB VAL 71 -0.773 -12.318 -7.980 561 1HG1 VAL 71 1HG1 VAL 71 -0.804 -11.845 -5.705 562 2HG1 VAL 71 2HG1 VAL 71 0.944 -12.017 -6.258 563 3HG1 VAL 71 3HG1 VAL 71 0.291 -10.366 -5.884 564 1HG2 VAL 71 1HG2 VAL 71 -2.110 -10.175 -7.247 565 2HG2 VAL 71 2HG2 VAL 71 -1.040 -9.241 -8.093 566 3HG2 VAL 71 3HG2 VAL 71 -2.103 -10.226 -9.024 567 H ALA 72 H ALA 72 2.476 -10.206 -6.877 568 HA ALA 72 HA ALA 72 2.432 -7.374 -6.859 569 1HB ALA 72 1HB ALA 72 4.968 -9.107 -6.872 570 2HB ALA 72 2HB ALA 72 5.082 -7.410 -6.395 571 3HB ALA 72 3HB ALA 72 4.054 -8.539 -5.367 572 H GLU 73 H GLU 73 4.280 -9.378 -9.041 573 HA GLU 73 HA GLU 73 5.298 -7.260 -10.789 574 1HB GLU 73 1HB GLU 73 4.966 -10.159 -11.469 575 2HB GLU 73 2HB GLU 73 5.856 -9.188 -12.438 576 1HG GLU 73 1HG GLU 73 7.818 -8.873 -11.149 577 2HG GLU 73 2HG GLU 73 6.882 -9.260 -9.644 578 HE2 GLU 73 HE GLU 73 9.032 -10.297 -10.797 579 H GLU 74 H GLU 74 2.370 -8.973 -10.992 580 HA GLU 74 HA GLU 74 1.312 -7.718 -13.492 581 1HB GLU 74 1HB GLU 74 -0.360 -9.392 -13.571 582 2HB GLU 74 2HB GLU 74 0.330 -10.055 -12.210 583 1HG GLU 74 1HG GLU 74 -1.804 -9.920 -11.618 584 2HG GLU 74 2HG GLU 74 -1.113 -8.671 -10.543 585 HE2 GLU 74 HE GLU 74 -3.372 -8.446 -10.480 586 H TRP 75 H TRP 75 0.827 -6.830 -10.101 587 HA TRP 75 HA TRP 75 -1.046 -4.716 -10.628 588 1HB TRP 75 1HB TRP 75 1.167 -4.918 -8.346 589 2HB TRP 75 2HB TRP 75 -0.133 -3.593 -8.369 590 HD1 TRP 75 HD TRP 75 0.465 -6.795 -6.890 591 HE1 TRP 75 1HE TRP 75 -1.727 -8.089 -6.105 592 HE3 TRP 75 3HE TRP 75 -3.160 -3.950 -9.583 593 HZ2 TRP 75 2HZ TRP 75 -4.220 -8.307 -7.265 594 HZ3 TRP 75 3HZ TRP 75 -5.194 -5.032 -9.841 595 HH2 TRP 75 HH TRP 75 -5.803 -7.208 -8.438 596 H ASN 76 H ASN 76 2.483 -4.564 -9.956 597 HA ASN 76 HA ASN 76 3.623 -4.096 -12.241 598 1HB ASN 76 1HB ASN 76 2.387 -2.392 -12.914 599 2HB ASN 76 2HB ASN 76 2.613 -1.247 -11.717 600 1HD2 ASN 76 1HD2 ASN 76 4.089 -2.720 -14.559 601 2HD2 ASN 76 2HD2 ASN 76 5.365 -1.366 -14.755 602 H VAL 77 H VAL 77 4.929 -5.165 -10.576 603 HA VAL 77 HA VAL 77 6.846 -3.629 -9.146 604 HB VAL 77 HB VAL 77 5.618 -6.090 -8.296 605 1HG1 VAL 77 1HG1 VAL 77 6.663 -5.170 -5.734 606 2HG1 VAL 77 2HG1 VAL 77 7.458 -6.437 -6.811 607 3HG1 VAL 77 3HG1 VAL 77 7.678 -4.561 -6.811 608 1HG2 VAL 77 1HG2 VAL 77 5.138 -3.563 -6.685 609 2HG2 VAL 77 2HG2 VAL 77 4.153 -4.059 -8.076 610 3HG2 VAL 77 3HG2 VAL 77 4.195 -5.151 -6.538 611 H GLU 78 H GLU 78 8.295 -3.795 -10.301 612 HA GLU 78 HA GLU 78 9.719 -6.192 -11.357 613 1HB GLU 78 1HB GLU 78 11.379 -4.938 -12.265 614 2HB GLU 78 2HB GLU 78 9.580 -4.504 -12.685 615 1HG GLU 78 1HG GLU 78 11.518 -3.299 -10.977 616 2HG GLU 78 2HG GLU 78 11.354 -2.615 -12.461 617 HE2 GLU 78 HE GLU 78 9.275 -1.604 -12.881 618 H ALA 79 H ALA 79 9.665 -4.532 -7.932 619 HA ALA 79 HA ALA 79 12.242 -5.435 -7.168 620 1HB ALA 79 1HB ALA 79 12.041 -2.350 -7.384 621 2HB ALA 79 2HB ALA 79 13.343 -3.406 -7.028 622 3HB ALA 79 3HB ALA 79 12.765 -3.328 -8.704 623 H MET 80 H MET 80 12.649 -5.212 -5.168 624 HA MET 80 HA MET 80 10.754 -4.398 -3.302 625 1HB MET 80 1HB MET 80 13.790 -4.990 -2.992 626 2HB MET 80 2HB MET 80 12.843 -4.794 -1.393 627 1HG MET 80 1HG MET 80 12.514 -6.878 -3.660 628 2HG MET 80 2HG MET 80 13.323 -6.899 -2.119 629 1HE MET 80 1HE MET 80 8.961 -5.822 -2.618 630 2HE MET 80 2HE MET 80 9.471 -7.219 -3.757 631 3HE MET 80 3HE MET 80 8.351 -7.231 -2.334 632 HA PRO 81 HA PRO 81 9.379 -3.113 -2.841 633 1HB PRO 81 1HB PRO 81 8.925 -2.441 -0.448 634 2HB PRO 81 2HB PRO 81 10.403 -3.507 -0.598 635 1HG PRO 81 1HG PRO 81 10.678 -0.690 0.171 636 2HG PRO 81 2HG PRO 81 11.769 -1.917 0.422 637 1HD PRO 81 1HD PRO 81 11.388 0.217 -1.603 638 2HD PRO 81 2HD PRO 81 12.734 -0.593 -1.631 639 H THR 82 H THR 82 7.746 -2.375 -2.817 640 HA THR 82 HA THR 82 7.454 0.237 -4.304 641 HB THR 82 HB THR 82 6.402 -2.648 -5.161 642 HG1 THR 82 1HG THR 82 8.502 -2.557 -5.806 643 1HG2 THR 82 1HG2 THR 82 4.887 -1.249 -6.380 644 2HG2 THR 82 2HG2 THR 82 6.049 -0.125 -6.635 645 3HG2 THR 82 3HG2 THR 82 6.264 -1.823 -7.378 646 H PHE 83 H PHE 83 5.811 0.758 -4.445 647 HA PHE 83 HA PHE 83 3.487 0.581 -2.455 648 1HB PHE 83 1HB PHE 83 5.132 3.191 -2.895 649 2HB PHE 83 2HB PHE 83 3.593 3.432 -2.243 650 HD1 PHE 83 1HD PHE 83 6.871 2.982 -1.684 651 HD2 PHE 83 2HD PHE 83 3.470 1.650 0.128 652 HE1 PHE 83 1HE PHE 83 8.256 2.139 0.292 653 HE2 PHE 83 2HE PHE 83 4.665 0.868 2.004 654 HZ PHE 83 HZ PHE 83 7.016 1.093 2.170 655 H ILE 84 H ILE 84 1.898 0.512 -3.754 656 HA ILE 84 HA ILE 84 1.327 2.006 -6.111 657 HB ILE 84 HB ILE 84 0.366 -0.983 -5.364 658 1HG1 ILE 84 1HG1 ILE 84 1.744 0.080 -7.986 659 2HG1 ILE 84 2HG1 ILE 84 2.826 -0.050 -6.609 660 1HG2 ILE 84 1HG2 ILE 84 -1.581 -0.219 -6.475 661 2HG2 ILE 84 2HG2 ILE 84 -0.500 0.615 -7.744 662 3HG2 ILE 84 3HG2 ILE 84 -0.701 -1.190 -7.629 663 1HD1 ILE 84 1HD1 ILE 84 1.349 -2.149 -7.962 664 2HD1 ILE 84 2HD1 ILE 84 2.999 -1.953 -8.016 665 3HD1 ILE 84 3HD1 ILE 84 2.338 -2.335 -6.419 666 H PHE 85 H PHE 85 -0.309 2.882 -6.532 667 HA PHE 85 HA PHE 85 -2.203 3.855 -4.344 668 1HB PHE 85 1HB PHE 85 -0.744 5.429 -6.709 669 2HB PHE 85 2HB PHE 85 -1.940 6.121 -5.870 670 HD1 PHE 85 1HD PHE 85 1.351 4.472 -5.717 671 HD2 PHE 85 2HD PHE 85 -1.302 7.301 -3.878 672 HE1 PHE 85 1HE PHE 85 3.043 4.921 -3.822 673 HE2 PHE 85 2HE PHE 85 0.469 7.978 -2.374 674 HZ PHE 85 HZ PHE 85 2.575 6.599 -2.132 675 H LEU 86 H LEU 86 -3.778 2.850 -4.717 676 HA LEU 86 HA LEU 86 -5.349 2.698 -7.300 677 1HB LEU 86 1HB LEU 86 -4.316 0.622 -6.341 678 2HB LEU 86 2HB LEU 86 -5.475 0.482 -5.117 679 HG LEU 86 HG LEU 86 -6.025 -0.950 -6.676 680 1HD1 LEU 86 1HD1 LEU 86 -8.051 0.333 -6.566 681 2HD1 LEU 86 2HD1 LEU 86 -7.516 1.246 -7.967 682 3HD1 LEU 86 3HD1 LEU 86 -7.889 -0.517 -8.038 683 1HD2 LEU 86 1HD2 LEU 86 -4.486 -1.045 -8.464 684 2HD2 LEU 86 2HD2 LEU 86 -5.806 -0.494 -9.345 685 3HD2 LEU 86 3HD2 LEU 86 -4.697 0.695 -8.787 686 H LYS 87 H LYS 87 -7.060 3.751 -7.124 687 HA LYS 87 HA LYS 87 -8.542 4.507 -4.679 688 1HB LYS 87 1HB LYS 87 -7.024 6.038 -6.117 689 2HB LYS 87 2HB LYS 87 -8.050 5.713 -7.485 690 1HG LYS 87 1HG LYS 87 -9.959 6.867 -6.486 691 2HG LYS 87 2HG LYS 87 -9.212 7.094 -4.933 692 1HD LYS 87 1HD LYS 87 -7.303 8.443 -6.373 693 2HD LYS 87 2HD LYS 87 -8.590 8.308 -7.663 694 1HE LYS 87 1HE LYS 87 -10.037 9.532 -5.521 695 2HE LYS 87 2HE LYS 87 -8.468 9.725 -4.822 696 1HZ LYS 87 1HZ LYS 87 -9.258 11.651 -6.324 697 2HZ LYS 87 2HZ LYS 87 -7.709 11.118 -6.445 698 H ASP 88 H ASP 88 -10.991 4.843 -5.094 699 HA ASP 88 HA ASP 88 -12.478 3.616 -7.031 700 1HB ASP 88 1HB ASP 88 -14.194 5.309 -6.691 701 2HB ASP 88 2HB ASP 88 -13.468 4.702 -5.221 702 HD2 ASP 88 HD ASP 88 -12.097 7.849 -4.493 703 H GLY 89 H GLY 89 -10.330 4.299 -8.707 704 1HA GLY 89 1HA GLY 89 -11.612 5.242 -11.127 705 2HA GLY 89 2HA GLY 89 -10.522 6.481 -10.552 706 H LYS 90 H LYS 90 -10.070 2.936 -10.176 707 HA LYS 90 HA LYS 90 -8.767 1.367 -11.039 708 1HB LYS 90 1HB LYS 90 -8.695 3.223 -13.599 709 2HB LYS 90 2HB LYS 90 -7.699 1.798 -13.441 710 1HG LYS 90 1HG LYS 90 -9.626 0.315 -12.929 711 2HG LYS 90 2HG LYS 90 -10.800 1.626 -13.025 712 1HD LYS 90 1HD LYS 90 -8.837 1.161 -15.463 713 2HD LYS 90 2HD LYS 90 -10.105 0.016 -15.087 714 1HE LYS 90 1HE LYS 90 -11.948 1.815 -15.257 715 2HE LYS 90 2HE LYS 90 -10.619 2.989 -15.390 716 1HZ LYS 90 1HZ LYS 90 -11.377 1.064 -17.380 717 2HZ LYS 90 2HZ LYS 90 -9.968 1.825 -17.391 718 H LEU 91 H LEU 91 -6.269 1.666 -12.346 719 HA LEU 91 HA LEU 91 -4.524 2.411 -10.090 720 1HB LEU 91 1HB LEU 91 -3.893 0.359 -11.414 721 2HB LEU 91 2HB LEU 91 -4.032 1.329 -12.915 722 HG LEU 91 HG LEU 91 -1.891 2.533 -12.142 723 1HD1 LEU 91 1HD1 LEU 91 -0.479 1.439 -10.206 724 2HD1 LEU 91 2HD1 LEU 91 -1.834 2.605 -9.794 725 3HD1 LEU 91 3HD1 LEU 91 -2.085 0.904 -9.650 726 1HD2 LEU 91 1HD2 LEU 91 -0.489 0.509 -12.622 727 2HD2 LEU 91 2HD2 LEU 91 -1.757 -0.618 -12.066 728 3HD2 LEU 91 3HD2 LEU 91 -2.014 0.386 -13.546 729 H VAL 92 H VAL 92 -4.917 4.450 -9.760 730 HA VAL 92 HA VAL 92 -4.234 6.594 -11.503 731 HB VAL 92 HB VAL 92 -4.399 7.901 -9.319 732 1HG1 VAL 92 1HG1 VAL 92 -6.720 7.767 -9.048 733 2HG1 VAL 92 2HG1 VAL 92 -6.309 7.582 -10.631 734 3HG1 VAL 92 3HG1 VAL 92 -6.877 6.098 -9.712 735 1HG2 VAL 92 1HG2 VAL 92 -5.065 7.238 -7.286 736 2HG2 VAL 92 2HG2 VAL 92 -5.059 5.499 -7.581 737 3HG2 VAL 92 3HG2 VAL 92 -3.517 6.350 -7.633 738 H ASP 93 H ASP 93 -1.969 5.261 -8.991 739 HA ASP 93 HA ASP 93 0.349 6.117 -10.654 740 1HB ASP 93 1HB ASP 93 -0.795 8.112 -9.316 741 2HB ASP 93 2HB ASP 93 -0.066 7.456 -7.930 742 HD2 ASP 93 HD ASP 93 1.879 7.950 -7.418 743 H LYS 94 H LYS 94 2.610 6.014 -9.322 744 HA LYS 94 HA LYS 94 2.797 3.717 -7.552 745 1HB LYS 94 1HB LYS 94 3.977 2.184 -8.895 746 2HB LYS 94 2HB LYS 94 2.319 2.376 -9.379 747 1HG LYS 94 1HG LYS 94 4.868 3.518 -10.863 748 2HG LYS 94 2HG LYS 94 4.141 2.222 -11.322 749 1HD LYS 94 1HD LYS 94 3.003 4.846 -11.689 750 2HD LYS 94 2HD LYS 94 3.616 3.873 -12.917 751 1HE LYS 94 1HE LYS 94 1.606 2.326 -12.674 752 2HE LYS 94 2HE LYS 94 0.849 3.331 -11.375 753 1HZ LYS 94 1HZ LYS 94 0.104 3.628 -13.764 754 2HZ LYS 94 2HZ LYS 94 0.520 4.955 -12.974 755 H THR 95 H THR 95 4.996 3.292 -6.859 756 HA THR 95 HA THR 95 7.214 4.817 -7.613 757 HB THR 95 HB THR 95 6.041 5.819 -5.104 758 HG1 THR 95 1HG THR 95 5.465 6.547 -7.111 759 1HG2 THR 95 1HG2 THR 95 8.729 5.734 -4.773 760 2HG2 THR 95 2HG2 THR 95 8.756 7.017 -5.956 761 3HG2 THR 95 3HG2 THR 95 7.817 7.268 -4.413 762 H VAL 96 H VAL 96 8.911 4.333 -5.689 763 HA VAL 96 HA VAL 96 8.792 1.767 -4.439 764 HB VAL 96 HB VAL 96 8.722 0.726 -6.399 765 1HG1 VAL 96 1HG1 VAL 96 10.271 3.006 -7.798 766 2HG1 VAL 96 2HG1 VAL 96 11.065 1.345 -8.160 767 3HG1 VAL 96 3HG1 VAL 96 9.248 1.548 -8.362 768 1HG2 VAL 96 1HG2 VAL 96 11.617 0.160 -5.584 769 2HG2 VAL 96 2HG2 VAL 96 10.266 -0.082 -4.878 770 3HG2 VAL 96 3HG2 VAL 96 10.534 -0.851 -6.479 771 H GLY 97 H GLY 97 9.295 2.647 -2.717 772 1HA GLY 97 1HA GLY 97 11.996 2.727 -2.135 773 2HA GLY 97 2HA GLY 97 11.771 4.539 -2.411 774 H ALA 98 H ALA 98 11.842 1.991 -0.291 775 HA ALA 98 HA ALA 98 10.205 2.675 2.046 776 1HB ALA 98 1HB ALA 98 11.072 0.603 1.868 777 2HB ALA 98 2HB ALA 98 12.822 1.245 1.633 778 3HB ALA 98 3HB ALA 98 12.023 1.394 3.265 779 H ASP 99 H ASP 99 10.350 5.136 2.305 780 HA ASP 99 HA ASP 99 12.851 6.211 3.454 781 1HB ASP 99 1HB ASP 99 12.264 6.415 0.939 782 2HB ASP 99 2HB ASP 99 10.903 7.417 1.276 783 HD2 ASP 99 HD ASP 99 13.098 10.219 2.206 784 H LYS 100 H LYS 100 12.135 6.693 5.322 785 HA LYS 100 HA LYS 100 9.966 7.012 6.780 786 1HB LYS 100 1HB LYS 100 10.842 8.061 8.670 787 2HB LYS 100 2HB LYS 100 12.042 6.966 8.050 788 1HG LYS 100 1HG LYS 100 12.158 10.013 7.874 789 2HG LYS 100 2HG LYS 100 12.930 9.047 8.935 790 1HD LYS 100 1HD LYS 100 14.107 7.910 7.011 791 2HD LYS 100 2HD LYS 100 13.347 9.022 5.973 792 1HE LYS 100 1HE LYS 100 14.595 10.958 7.105 793 2HE LYS 100 2HE LYS 100 15.514 9.655 8.006 794 1HZ LYS 100 1HZ LYS 100 16.591 10.405 5.954 795 2HZ LYS 100 2HZ LYS 100 16.325 8.754 5.959 796 H ASP 101 H ASP 101 11.233 10.171 5.789 797 HA ASP 101 HA ASP 101 8.568 11.543 5.908 798 1HB ASP 101 1HB ASP 101 9.774 13.560 5.085 799 2HB ASP 101 2HB ASP 101 10.579 12.828 6.402 800 HD2 ASP 101 HD ASP 101 12.430 13.549 2.902 801 H GLY 102 H GLY 102 10.464 10.139 3.098 802 1HA GLY 102 1HA GLY 102 9.148 11.066 0.855 803 2HA GLY 102 2HA GLY 102 9.739 9.392 1.128 804 H LEU 103 H LEU 103 8.045 8.116 2.462 805 HA LEU 103 HA LEU 103 5.704 7.524 0.796 806 1HB LEU 103 1HB LEU 103 7.088 5.915 2.038 807 2HB LEU 103 2HB LEU 103 6.755 6.634 3.568 808 HG LEU 103 HG LEU 103 4.321 6.058 3.279 809 1HD1 LEU 103 1HD1 LEU 103 3.733 4.231 1.322 810 2HD1 LEU 103 2HD1 LEU 103 4.029 5.940 0.838 811 3HD1 LEU 103 3HD1 LEU 103 5.388 4.710 0.716 812 1HD2 LEU 103 1HD2 LEU 103 4.630 3.381 3.379 813 2HD2 LEU 103 2HD2 LEU 103 6.406 3.730 3.220 814 3HD2 LEU 103 3HD2 LEU 103 5.478 4.437 4.580 815 HA PRO 104 HA PRO 104 2.987 10.174 4.344 816 1HB PRO 104 1HB PRO 104 5.239 11.941 5.108 817 2HB PRO 104 2HB PRO 104 3.785 11.471 5.997 818 1HG PRO 104 1HG PRO 104 6.321 10.290 6.479 819 2HG PRO 104 2HG PRO 104 4.832 9.305 6.596 820 1HD PRO 104 1HD PRO 104 6.845 9.366 4.345 821 2HD PRO 104 2HD PRO 104 5.915 8.026 5.025 822 H THR 105 H THR 105 5.667 11.678 2.694 823 HA THR 105 HA THR 105 4.323 14.187 1.825 824 HB THR 105 HB THR 105 6.917 12.542 1.077 825 HG1 THR 105 1HG THR 105 6.506 14.956 2.335 826 1HG2 THR 105 1HG2 THR 105 7.912 14.569 0.210 827 2HG2 THR 105 2HG2 THR 105 6.783 13.853 -0.914 828 3HG2 THR 105 3HG2 THR 105 6.369 15.317 0.011 829 H LEU 106 H LEU 106 4.980 11.296 0.038 830 HA LEU 106 HA LEU 106 3.606 12.039 -2.425 831 1HB LEU 106 1HB LEU 106 5.418 10.594 -2.399 832 2HB LEU 106 2HB LEU 106 4.644 9.377 -1.362 833 HG LEU 106 HG LEU 106 3.082 8.720 -3.032 834 1HD1 LEU 106 1HD1 LEU 106 3.283 9.282 -5.539 835 2HD1 LEU 106 2HD1 LEU 106 2.738 10.648 -4.576 836 3HD1 LEU 106 3HD1 LEU 106 4.311 10.613 -5.180 837 1HD2 LEU 106 1HD2 LEU 106 4.579 7.461 -4.430 838 2HD2 LEU 106 2HD2 LEU 106 5.858 8.539 -4.164 839 3HD2 LEU 106 3HD2 LEU 106 5.194 7.531 -2.823 840 H VAL 107 H VAL 107 2.552 9.927 0.264 841 HA VAL 107 HA VAL 107 -0.180 9.601 -0.670 842 HB VAL 107 HB VAL 107 0.974 9.263 2.109 843 1HG1 VAL 107 1HG1 VAL 107 -1.189 9.960 2.839 844 2HG1 VAL 107 2HG1 VAL 107 -2.035 9.168 1.518 845 3HG1 VAL 107 3HG1 VAL 107 -1.251 8.170 2.916 846 1HG2 VAL 107 1HG2 VAL 107 0.496 6.813 1.458 847 2HG2 VAL 107 2HG2 VAL 107 -0.210 7.382 0.014 848 3HG2 VAL 107 3HG2 VAL 107 1.489 7.619 0.277 849 H ALA 108 H ALA 108 1.052 12.041 1.807 850 HA ALA 108 HA ALA 108 -1.287 13.471 2.091 851 1HB ALA 108 1HB ALA 108 0.398 15.457 2.551 852 2HB ALA 108 2HB ALA 108 0.660 13.915 3.407 853 3HB ALA 108 3HB ALA 108 1.586 14.403 1.952 854 H LYS 109 H LYS 109 0.897 13.819 -0.565 855 HA LYS 109 HA LYS 109 -0.419 16.056 -2.033 856 1HB LYS 109 1HB LYS 109 1.538 13.756 -2.881 857 2HB LYS 109 2HB LYS 109 0.842 14.955 -4.105 858 1HG LYS 109 1HG LYS 109 1.882 16.722 -3.009 859 2HG LYS 109 2HG LYS 109 2.340 15.853 -1.566 860 1HD LYS 109 1HD LYS 109 3.871 14.383 -2.897 861 2HD LYS 109 2HD LYS 109 3.502 15.326 -4.357 862 1HE LYS 109 1HE LYS 109 4.227 17.436 -3.284 863 2HE LYS 109 2HE LYS 109 4.766 16.567 -1.823 864 1HZ LYS 109 1HZ LYS 109 5.672 15.826 -4.396 865 2HZ LYS 109 2HZ LYS 109 6.259 17.173 -3.880 866 H HIS 110 H HIS 110 -1.043 12.333 -2.057 867 HA HIS 110 HA HIS 110 -3.087 12.435 -4.214 868 1HB HIS 110 1HB HIS 110 -2.021 10.177 -2.339 869 2HB HIS 110 2HB HIS 110 -3.529 10.150 -3.205 870 HD1 HIS 110 1HD HIS 110 -3.631 9.801 -5.638 871 HD2 HIS 110 2HD HIS 110 0.141 10.719 -4.301 872 HE1 HIS 110 1HE HIS 110 -1.826 8.802 -7.419 873 H ALA 111 H ALA 111 -3.192 11.923 -0.783 874 HA ALA 111 HA ALA 111 -5.932 11.975 -0.159 875 1HB ALA 111 1HB ALA 111 -5.092 12.874 2.135 876 2HB ALA 111 2HB ALA 111 -4.043 11.646 1.470 877 3HB ALA 111 3HB ALA 111 -3.481 13.251 1.349 878 H THR 112 H THR 112 -3.952 14.981 -0.470 879 HA THR 112 HA THR 112 -6.047 16.996 0.052 880 HB THR 112 HB THR 112 -3.457 17.211 -1.610 881 HG1 THR 112 1HG THR 112 -2.538 17.925 0.334 882 1HG2 THR 112 1HG2 THR 112 -4.527 19.338 -2.120 883 2HG2 THR 112 2HG2 THR 112 -4.944 19.662 -0.352 884 3HG2 THR 112 3HG2 THR 112 -3.303 19.629 -0.890 885 H ALA 113 H ALA 113 -4.740 15.743 -3.108 886 HA ALA 113 HA ALA 113 -6.899 16.681 -4.815 887 1HB ALA 113 1HB ALA 113 -5.022 14.237 -5.190 888 2HB ALA 113 2HB ALA 113 -6.058 15.076 -6.454 889 3HB ALA 113 3HB ALA 113 -4.696 15.892 -5.687 890 HXT ALA 113 HO ALA 113 -9.553 14.793 -3.834 Start of MODEL 17 1 1H ALA 1 1H ALA 1 -13.630 9.910 16.255 2 2H ALA 1 2H ALA 1 -14.179 8.536 17.019 3 HA ALA 1 HA ALA 1 -11.308 9.208 16.733 4 1HB ALA 1 1HB ALA 1 -10.969 6.766 17.121 5 2HB ALA 1 2HB ALA 1 -11.690 7.520 18.566 6 3HB ALA 1 3HB ALA 1 -12.683 6.529 17.404 7 H GLU 2 H GLU 2 -10.717 9.090 14.402 8 HA GLU 2 HA GLU 2 -12.096 7.242 12.464 9 1HB GLU 2 1HB GLU 2 -13.663 9.139 12.773 10 2HB GLU 2 2HB GLU 2 -12.413 10.252 12.194 11 1HG GLU 2 1HG GLU 2 -12.402 8.965 9.981 12 2HG GLU 2 2HG GLU 2 -13.572 7.850 10.645 13 HE2 GLU 2 HE GLU 2 -14.701 11.347 9.090 14 H GLU 3 H GLU 3 -10.465 6.470 11.523 15 HA GLU 3 HA GLU 3 -8.041 8.044 10.443 16 1HB GLU 3 1HB GLU 3 -6.389 6.896 11.670 17 2HB GLU 3 2HB GLU 3 -7.455 7.756 12.713 18 1HG GLU 3 1HG GLU 3 -8.688 5.656 13.440 19 2HG GLU 3 2HG GLU 3 -7.806 4.764 12.286 20 HE2 GLU 3 HE GLU 3 -4.766 4.520 13.680 21 H GLY 4 H GLY 4 -6.463 6.562 9.612 22 1HA GLY 4 1HA GLY 4 -7.310 4.465 7.568 23 2HA GLY 4 2HA GLY 4 -5.739 5.254 7.777 24 H GLN 5 H GLN 5 -5.880 2.361 7.580 25 HA GLN 5 HA GLN 5 -4.886 1.468 10.233 26 1HB GLN 5 1HB GLN 5 -6.488 -0.341 10.491 27 2HB GLN 5 2HB GLN 5 -7.254 1.177 10.333 28 1HG GLN 5 1HG GLN 5 -7.704 0.682 7.848 29 2HG GLN 5 2HG GLN 5 -7.032 -0.898 8.209 30 1HE2 GLN 5 1HE2 GLN 5 -8.585 -2.330 8.287 31 2HE2 GLN 5 2HE2 GLN 5 -10.331 -2.030 8.862 32 H VAL 6 H VAL 6 -3.331 0.022 9.953 33 HA VAL 6 HA VAL 6 -2.441 -0.987 7.400 34 HB VAL 6 HB VAL 6 -1.184 -0.936 10.177 35 1HG1 VAL 6 1HG1 VAL 6 0.952 -1.385 8.905 36 2HG1 VAL 6 2HG1 VAL 6 -0.225 -2.745 8.852 37 3HG1 VAL 6 3HG1 VAL 6 0.038 -1.792 7.447 38 1HG2 VAL 6 1HG2 VAL 6 -1.108 1.013 7.770 39 2HG2 VAL 6 2HG2 VAL 6 -1.197 1.430 9.488 40 3HG2 VAL 6 3HG2 VAL 6 0.354 0.870 8.872 41 H ILE 7 H ILE 7 -3.212 -2.753 6.862 42 HA ILE 7 HA ILE 7 -3.756 -5.131 8.647 43 HB ILE 7 HB ILE 7 -5.744 -3.868 7.384 44 1HG1 ILE 7 1HG1 ILE 7 -5.887 -5.996 8.690 45 2HG1 ILE 7 2HG1 ILE 7 -7.068 -5.822 7.371 46 1HG2 ILE 7 1HG2 ILE 7 -6.555 -4.784 5.187 47 2HG2 ILE 7 2HG2 ILE 7 -5.172 -3.901 4.955 48 3HG2 ILE 7 3HG2 ILE 7 -4.952 -5.625 5.012 49 1HD1 ILE 7 1HD1 ILE 7 -5.484 -7.600 6.108 50 2HD1 ILE 7 2HD1 ILE 7 -4.448 -7.609 7.629 51 3HD1 ILE 7 3HD1 ILE 7 -6.036 -8.190 7.751 52 H ALA 8 H ALA 8 -2.058 -6.285 8.400 53 HA ALA 8 HA ALA 8 -0.492 -7.025 6.109 54 1HB ALA 8 1HB ALA 8 0.223 -8.885 7.420 55 2HB ALA 8 2HB ALA 8 -0.193 -7.623 8.664 56 3HB ALA 8 3HB ALA 8 -1.274 -8.931 8.352 57 H CYS 9 H CYS 9 -0.513 -8.271 4.519 58 HA CYS 9 HA CYS 9 -2.874 -9.918 3.687 59 1HB CYS 9 1HB CYS 9 -1.128 -8.010 2.041 60 2HB CYS 9 2HB CYS 9 -2.302 -9.114 1.383 61 HG CYS 9 HG CYS 9 -4.257 -8.050 2.940 62 H HIS 10 H HIS 10 -2.594 -11.606 2.449 63 HA HIS 10 HA HIS 10 -0.105 -12.969 2.821 64 1HB HIS 10 1HB HIS 10 -2.821 -13.763 3.972 65 2HB HIS 10 2HB HIS 10 -1.470 -14.873 3.850 66 HD1 HIS 10 1HD HIS 10 -2.139 -11.701 6.037 67 HD2 HIS 10 2HD HIS 10 0.228 -15.323 5.633 68 HE1 HIS 10 1HE HIS 10 -0.474 -11.976 7.941 69 H THR 11 H THR 11 -3.348 -13.443 1.314 70 HA THR 11 HA THR 11 -2.351 -15.313 -0.623 71 HB THR 11 HB THR 11 -4.053 -17.058 -0.016 72 HG1 THR 11 1HG THR 11 -5.107 -16.797 2.177 73 1HG2 THR 11 1HG2 THR 11 -3.187 -17.921 2.082 74 2HG2 THR 11 2HG2 THR 11 -2.016 -17.627 0.867 75 3HG2 THR 11 3HG2 THR 11 -2.093 -16.491 2.232 76 H VAL 12 H VAL 12 -4.673 -16.091 -1.878 77 HA VAL 12 HA VAL 12 -5.744 -14.032 -3.286 78 HB VAL 12 HB VAL 12 -5.819 -16.443 -3.701 79 1HG1 VAL 12 1HG1 VAL 12 -8.264 -16.368 -1.803 80 2HG1 VAL 12 2HG1 VAL 12 -7.924 -17.834 -2.761 81 3HG1 VAL 12 3HG1 VAL 12 -6.682 -17.345 -1.554 82 1HG2 VAL 12 1HG2 VAL 12 -8.630 -15.315 -4.036 83 2HG2 VAL 12 2HG2 VAL 12 -7.197 -14.690 -4.962 84 3HG2 VAL 12 3HG2 VAL 12 -7.649 -16.315 -5.210 85 H ASP 13 H ASP 13 -6.554 -14.330 -0.205 86 HA ASP 13 HA ASP 13 -9.274 -13.037 -0.013 87 1HB ASP 13 1HB ASP 13 -7.044 -13.616 2.228 88 2HB ASP 13 2HB ASP 13 -8.490 -12.758 2.525 89 HD2 ASP 13 HD ASP 13 -7.254 -15.672 1.778 90 H THR 14 H THR 14 -5.811 -11.953 0.208 91 HA THR 14 HA THR 14 -6.509 -9.106 0.518 92 HB THR 14 HB THR 14 -4.256 -9.859 0.846 93 HG1 THR 14 1HG THR 14 -4.668 -7.803 -1.011 94 1HG2 THR 14 1HG2 THR 14 -3.798 -9.511 -2.298 95 2HG2 THR 14 2HG2 THR 14 -2.556 -9.903 -1.012 96 3HG2 THR 14 3HG2 THR 14 -3.868 -11.057 -1.471 97 H TRP 15 H TRP 15 -6.558 -11.224 -2.256 98 HA TRP 15 HA TRP 15 -6.902 -9.228 -4.370 99 1HB TRP 15 1HB TRP 15 -7.629 -12.173 -4.529 100 2HB TRP 15 2HB TRP 15 -8.369 -11.209 -5.635 101 HD1 TRP 15 HD TRP 15 -4.667 -12.387 -4.758 102 HE1 TRP 15 1HE TRP 15 -3.230 -12.082 -6.970 103 HE3 TRP 15 3HE TRP 15 -8.283 -9.966 -7.779 104 HZ2 TRP 15 2HZ TRP 15 -3.911 -11.294 -9.648 105 HZ3 TRP 15 3HZ TRP 15 -7.700 -9.453 -10.136 106 HH2 TRP 15 HH TRP 15 -5.642 -10.156 -10.975 107 H LYS 16 H LYS 16 -9.435 -11.053 -2.564 108 HA LYS 16 HA LYS 16 -11.698 -9.388 -3.249 109 1HB LYS 16 1HB LYS 16 -11.265 -10.777 -0.584 110 2HB LYS 16 2HB LYS 16 -12.786 -9.986 -1.124 111 1HG LYS 16 1HG LYS 16 -12.627 -11.673 -3.032 112 2HG LYS 16 2HG LYS 16 -11.330 -12.489 -2.323 113 1HD LYS 16 1HD LYS 16 -14.200 -12.171 -1.049 114 2HD LYS 16 2HD LYS 16 -13.444 -13.621 -1.841 115 1HE LYS 16 1HE LYS 16 -11.854 -13.965 -0.116 116 2HE LYS 16 2HE LYS 16 -12.299 -12.525 0.767 117 1HZ LYS 16 1HZ LYS 16 -13.809 -14.996 0.390 118 2HZ LYS 16 2HZ LYS 16 -13.290 -14.358 1.792 119 H GLU 17 H GLU 17 -9.149 -8.697 -0.789 120 HA GLU 17 HA GLU 17 -10.609 -6.358 0.351 121 1HB GLU 17 1HB GLU 17 -7.906 -7.365 1.016 122 2HB GLU 17 2HB GLU 17 -8.615 -5.885 1.657 123 1HG GLU 17 1HG GLU 17 -10.646 -7.407 2.509 124 2HG GLU 17 2HG GLU 17 -9.713 -8.722 2.061 125 HE2 GLU 17 HE GLU 17 -8.834 -6.284 5.237 126 H HIS 18 H HIS 18 -7.594 -6.572 -1.540 127 HA HIS 18 HA HIS 18 -7.189 -3.775 -1.881 128 1HB HIS 18 1HB HIS 18 -5.370 -5.415 -2.210 129 2HB HIS 18 2HB HIS 18 -6.295 -6.235 -3.595 130 HD1 HIS 18 1HD HIS 18 -5.780 -5.356 -6.043 131 HD2 HIS 18 2HD HIS 18 -4.411 -2.910 -2.885 132 HE1 HIS 18 1HE HIS 18 -4.278 -3.608 -7.009 133 H PHE 19 H PHE 19 -8.720 -5.988 -4.108 134 HA PHE 19 HA PHE 19 -9.500 -4.153 -6.080 135 1HB PHE 19 1HB PHE 19 -9.381 -6.439 -6.806 136 2HB PHE 19 2HB PHE 19 -10.616 -6.945 -5.732 137 HD1 PHE 19 1HD PHE 19 -13.024 -6.532 -6.443 138 HD2 PHE 19 2HD PHE 19 -9.760 -5.083 -8.843 139 HE1 PHE 19 1HE PHE 19 -14.608 -6.121 -8.400 140 HE2 PHE 19 2HE PHE 19 -11.362 -4.824 -10.731 141 HZ PHE 19 HZ PHE 19 -13.718 -5.356 -10.512 142 H GLU 20 H GLU 20 -11.573 -5.678 -3.604 143 HA GLU 20 HA GLU 20 -14.053 -4.250 -4.277 144 1HB GLU 20 1HB GLU 20 -13.405 -5.762 -1.628 145 2HB GLU 20 2HB GLU 20 -14.936 -5.046 -1.988 146 1HG GLU 20 1HG GLU 20 -13.693 -7.286 -3.650 147 2HG GLU 20 2HG GLU 20 -14.986 -7.463 -2.436 148 HE2 GLU 20 HE GLU 20 -17.478 -6.211 -4.707 149 H LYS 21 H LYS 21 -11.887 -3.558 -1.715 150 HA LYS 21 HA LYS 21 -13.086 -0.984 -0.857 151 1HB LYS 21 1HB LYS 21 -10.131 -1.655 -0.392 152 2HB LYS 21 2HB LYS 21 -11.092 -0.341 0.300 153 1HG LYS 21 1HG LYS 21 -11.665 -3.401 0.662 154 2HG LYS 21 2HG LYS 21 -10.700 -2.631 1.749 155 1HD LYS 21 1HD LYS 21 -12.670 -1.066 2.285 156 2HD LYS 21 2HD LYS 21 -13.638 -2.089 1.284 157 1HE LYS 21 1HE LYS 21 -14.048 -2.557 3.569 158 2HE LYS 21 2HE LYS 21 -13.311 -4.027 2.961 159 1HZ LYS 21 1HZ LYS 21 -11.958 -1.812 4.444 160 2HZ LYS 21 2HZ LYS 21 -12.319 -3.370 4.996 161 H GLY 22 H GLY 22 -10.189 -1.494 -2.792 162 1HA GLY 22 1HA GLY 22 -9.751 1.177 -3.762 163 2HA GLY 22 2HA GLY 22 -9.390 -0.231 -4.824 164 H LYS 23 H LYS 23 -11.037 -1.005 -6.170 165 HA LYS 23 HA LYS 23 -12.977 0.852 -7.312 166 1HB LYS 23 1HB LYS 23 -11.412 -0.486 -8.685 167 2HB LYS 23 2HB LYS 23 -12.412 -1.902 -8.194 168 1HG LYS 23 1HG LYS 23 -14.350 -0.275 -8.935 169 2HG LYS 23 2HG LYS 23 -13.110 0.352 -10.087 170 1HD LYS 23 1HD LYS 23 -13.676 -2.658 -9.791 171 2HD LYS 23 2HD LYS 23 -14.887 -1.572 -10.559 172 1HE LYS 23 1HE LYS 23 -12.001 -1.762 -11.319 173 2HE LYS 23 2HE LYS 23 -13.132 -2.882 -12.017 174 1HZ LYS 23 1HZ LYS 23 -12.720 -1.076 -13.594 175 2HZ LYS 23 2HZ LYS 23 -14.258 -0.790 -13.096 176 H GLY 24 H GLY 24 -14.377 0.967 -5.595 177 1HA GLY 24 1HA GLY 24 -16.576 -0.540 -5.811 178 2HA GLY 24 2HA GLY 24 -15.838 -1.354 -4.432 179 H SER 25 H SER 25 -14.513 1.061 -3.465 180 HA SER 25 HA SER 25 -16.777 2.505 -2.107 181 1HB SER 25 1HB SER 25 -14.273 1.302 -0.744 182 2HB SER 25 2HB SER 25 -15.320 2.474 0.033 183 HG SER 25 HG SER 25 -15.460 0.053 0.261 184 H GLN 26 H GLN 26 -16.569 4.463 -2.156 185 HA GLN 26 HA GLN 26 -14.518 6.153 -3.450 186 1HB GLN 26 1HB GLN 26 -16.990 6.841 -1.799 187 2HB GLN 26 2HB GLN 26 -15.815 8.056 -2.356 188 1HG GLN 26 1HG GLN 26 -17.609 7.932 -4.041 189 2HG GLN 26 2HG GLN 26 -16.000 7.633 -4.633 190 1HE2 GLN 26 1HE2 GLN 26 -15.512 5.597 -5.395 191 2HE2 GLN 26 2HE2 GLN 26 -16.813 4.601 -6.213 192 H LYS 27 H LYS 27 -12.690 5.448 -2.533 193 HA LYS 27 HA LYS 27 -11.577 7.005 -0.318 194 1HB LYS 27 1HB LYS 27 -10.653 4.958 0.930 195 2HB LYS 27 2HB LYS 27 -12.422 5.217 1.257 196 1HG LYS 27 1HG LYS 27 -12.813 3.286 -0.481 197 2HG LYS 27 2HG LYS 27 -11.082 3.133 -0.592 198 1HD LYS 27 1HD LYS 27 -11.826 1.584 1.062 199 2HD LYS 27 2HD LYS 27 -10.713 2.788 1.757 200 1HE LYS 27 1HE LYS 27 -12.682 3.892 2.845 201 2HE LYS 27 2HE LYS 27 -13.801 2.627 2.371 202 1HZ LYS 27 1HZ LYS 27 -13.273 1.965 4.367 203 2HZ LYS 27 2HZ LYS 27 -11.945 1.304 3.565 204 H LEU 28 H LEU 28 -9.479 6.762 -0.245 205 HA LEU 28 HA LEU 28 -7.987 5.671 -2.489 206 1HB LEU 28 1HB LEU 28 -7.421 8.082 -1.849 207 2HB LEU 28 2HB LEU 28 -6.926 7.444 -0.326 208 HG LEU 28 HG LEU 28 -5.049 6.189 -1.416 209 1HD1 LEU 28 1HD1 LEU 28 -4.228 6.840 -3.766 210 2HD1 LEU 28 2HD1 LEU 28 -5.755 5.937 -3.746 211 3HD1 LEU 28 3HD1 LEU 28 -5.856 7.665 -4.043 212 1HD2 LEU 28 1HD2 LEU 28 -4.931 8.597 -0.368 213 2HD2 LEU 28 2HD2 LEU 28 -3.593 7.856 -1.195 214 3HD2 LEU 28 3HD2 LEU 28 -4.558 9.105 -2.081 215 H ILE 29 H ILE 29 -6.492 4.149 -2.180 216 HA ILE 29 HA ILE 29 -6.041 2.629 0.402 217 HB ILE 29 HB ILE 29 -6.244 0.631 -0.539 218 1HG1 ILE 29 1HG1 ILE 29 -7.310 1.432 -3.111 219 2HG1 ILE 29 2HG1 ILE 29 -5.527 0.947 -2.954 220 1HG2 ILE 29 1HG2 ILE 29 -8.797 0.529 -0.817 221 2HG2 ILE 29 2HG2 ILE 29 -8.310 2.012 0.174 222 3HG2 ILE 29 3HG2 ILE 29 -8.847 2.101 -1.451 223 1HD1 ILE 29 1HD1 ILE 29 -7.020 -0.887 -3.811 224 2HD1 ILE 29 2HD1 ILE 29 -6.514 -1.385 -2.266 225 3HD1 ILE 29 3HD1 ILE 29 -8.030 -0.666 -2.341 226 H VAL 30 H VAL 30 -3.899 2.026 0.619 227 HA VAL 30 HA VAL 30 -1.871 2.464 -1.591 228 HB VAL 30 HB VAL 30 -1.755 3.707 1.081 229 1HG1 VAL 30 1HG1 VAL 30 0.404 3.603 -1.151 230 2HG1 VAL 30 2HG1 VAL 30 0.495 4.695 0.282 231 3HG1 VAL 30 3HG1 VAL 30 0.619 3.032 0.381 232 1HG2 VAL 30 1HG2 VAL 30 -1.932 5.962 0.140 233 2HG2 VAL 30 2HG2 VAL 30 -2.146 5.272 -1.445 234 3HG2 VAL 30 3HG2 VAL 30 -3.360 5.009 -0.299 235 H VAL 31 H VAL 31 -0.924 0.921 -1.691 236 HA VAL 31 HA VAL 31 -0.214 -1.160 0.335 237 HB VAL 31 HB VAL 31 -2.314 -1.509 -0.971 238 1HG1 VAL 31 1HG1 VAL 31 -2.113 -0.336 -2.865 239 2HG1 VAL 31 2HG1 VAL 31 -0.609 -1.184 -3.419 240 3HG1 VAL 31 3HG1 VAL 31 -2.148 -2.032 -3.436 241 1HG2 VAL 31 1HG2 VAL 31 -2.083 -3.726 -1.574 242 2HG2 VAL 31 2HG2 VAL 31 -0.474 -3.637 -2.183 243 3HG2 VAL 31 3HG2 VAL 31 -0.755 -3.778 -0.386 244 H ASP 32 H ASP 32 1.540 -1.648 0.887 245 HA ASP 32 HA ASP 32 3.998 -1.504 -0.604 246 1HB ASP 32 1HB ASP 32 3.475 -1.331 2.043 247 2HB ASP 32 2HB ASP 32 3.616 -2.946 2.160 248 HD2 ASP 32 HD ASP 32 7.051 -1.820 0.777 249 H PHE 33 H PHE 33 4.787 -3.003 -1.851 250 HA PHE 33 HA PHE 33 4.314 -5.976 -1.504 251 1HB PHE 33 1HB PHE 33 5.191 -4.324 -3.895 252 2HB PHE 33 2HB PHE 33 5.057 -6.132 -4.009 253 HD1 PHE 33 1HD PHE 33 2.826 -7.204 -3.780 254 HD2 PHE 33 2HD PHE 33 3.108 -2.994 -4.106 255 HE1 PHE 33 1HE PHE 33 0.361 -6.993 -4.561 256 HE2 PHE 33 2HE PHE 33 0.825 -2.844 -4.421 257 HZ PHE 33 HZ PHE 33 -0.626 -4.879 -4.768 258 H THR 34 H THR 34 5.695 -6.699 -0.370 259 HA THR 34 HA THR 34 8.521 -5.736 -0.049 260 HB THR 34 HB THR 34 7.691 -4.107 1.466 261 HG1 THR 34 1HG THR 34 9.113 -6.248 2.515 262 1HG2 THR 34 1HG2 THR 34 5.824 -5.794 2.383 263 2HG2 THR 34 2HG2 THR 34 7.218 -6.307 3.430 264 3HG2 THR 34 3HG2 THR 34 6.673 -4.666 3.607 265 H ALA 35 H ALA 35 9.512 -7.688 0.093 266 HA ALA 35 HA ALA 35 8.723 -10.073 1.585 267 1HB ALA 35 1HB ALA 35 10.087 -9.877 -0.325 268 2HB ALA 35 2HB ALA 35 11.361 -8.701 0.612 269 3HB ALA 35 3HB ALA 35 11.122 -10.443 0.916 270 H SER 36 H SER 36 9.113 -10.798 3.340 271 HA SER 36 HA SER 36 9.877 -9.390 5.746 272 1HB SER 36 1HB SER 36 8.890 -11.760 5.650 273 2HB SER 36 2HB SER 36 10.433 -12.311 5.381 274 HG SER 36 HG SER 36 11.051 -11.219 7.286 275 H TRP 37 H TRP 37 12.124 -10.458 3.465 276 HA TRP 37 HA TRP 37 14.718 -10.263 4.905 277 1HB TRP 37 1HB TRP 37 15.831 -10.603 2.710 278 2HB TRP 37 2HB TRP 37 15.125 -11.990 3.483 279 HD1 TRP 37 HD TRP 37 12.793 -12.907 2.333 280 HE1 TRP 37 1HE TRP 37 11.974 -13.210 0.173 281 HE3 TRP 37 3HE TRP 37 16.178 -9.563 0.578 282 HZ2 TRP 37 2HZ TRP 37 12.668 -11.604 -2.534 283 HZ3 TRP 37 3HZ TRP 37 16.098 -9.118 -1.799 284 HH2 TRP 37 HH TRP 37 14.296 -10.042 -3.340 285 H CYS 38 H CYS 38 13.615 -7.924 5.423 286 HA CYS 38 HA CYS 38 15.016 -5.877 3.710 287 1HB CYS 38 1HB CYS 38 12.719 -6.329 2.616 288 2HB CYS 38 2HB CYS 38 11.958 -5.845 4.032 289 HG CYS 38 HG CYS 38 11.889 -3.663 2.560 290 HA PRO 39 HA PRO 39 14.970 -4.173 8.277 291 1HB PRO 39 1HB PRO 39 17.345 -2.799 7.550 292 2HB PRO 39 2HB PRO 39 17.009 -3.853 8.904 293 1HG PRO 39 1HG PRO 39 18.570 -4.575 6.641 294 2HG PRO 39 2HG PRO 39 17.786 -5.767 7.733 295 1HD PRO 39 1HD PRO 39 17.005 -4.600 5.129 296 2HD PRO 39 2HD PRO 39 16.798 -6.305 5.622 297 HA PRO 40 HA PRO 40 14.378 0.277 6.046 298 1HB PRO 40 1HB PRO 40 14.038 -0.588 3.188 299 2HB PRO 40 2HB PRO 40 14.619 0.973 3.963 300 1HG PRO 40 1HG PRO 40 16.294 -1.045 3.045 301 2HG PRO 40 2HG PRO 40 16.804 0.034 4.298 302 1HD PRO 40 1HD PRO 40 15.500 -2.891 4.284 303 2HD PRO 40 2HD PRO 40 16.810 -2.377 5.476 304 H CYS 41 H CYS 41 12.429 -2.179 4.377 305 HA CYS 41 HA CYS 41 9.987 -1.045 5.360 306 1HB CYS 41 1HB CYS 41 10.032 -3.751 4.186 307 2HB CYS 41 2HB CYS 41 8.645 -2.719 4.589 308 HG CYS 41 HG CYS 41 8.347 -2.036 2.360 309 H LYS 42 H LYS 42 12.004 -3.148 6.915 310 HA LYS 42 HA LYS 42 10.272 -3.837 9.236 311 1HB LYS 42 1HB LYS 42 12.730 -4.743 8.801 312 2HB LYS 42 2HB LYS 42 13.323 -3.247 9.602 313 1HG LYS 42 1HG LYS 42 11.964 -3.900 11.653 314 2HG LYS 42 2HG LYS 42 11.287 -5.187 10.908 315 1HD LYS 42 1HD LYS 42 13.761 -6.139 10.867 316 2HD LYS 42 2HD LYS 42 14.262 -4.801 11.827 317 1HE LYS 42 1HE LYS 42 12.312 -5.518 13.463 318 2HE LYS 42 2HE LYS 42 12.132 -6.951 12.437 319 1HZ LYS 42 1HZ LYS 42 13.950 -7.886 13.244 320 2HZ LYS 42 2HZ LYS 42 14.835 -6.582 13.386 321 H MET 43 H MET 43 12.360 -1.071 8.997 322 HA MET 43 HA MET 43 10.835 0.510 11.008 323 1HB MET 43 1HB MET 43 12.444 2.322 10.720 324 2HB MET 43 2HB MET 43 13.161 0.761 10.683 325 1HG MET 43 1HG MET 43 13.312 0.737 8.186 326 2HG MET 43 2HG MET 43 12.579 2.327 8.043 327 1HE MET 43 1HE MET 43 15.008 4.663 7.947 328 2HE MET 43 2HE MET 43 13.352 4.254 8.596 329 3HE MET 43 3HE MET 43 14.739 4.636 9.700 330 H ILE 44 H ILE 44 10.548 0.453 7.457 331 HA ILE 44 HA ILE 44 8.674 2.628 7.307 332 HB ILE 44 HB ILE 44 9.831 1.278 5.374 333 1HG1 ILE 44 1HG1 ILE 44 8.270 2.743 3.708 334 2HG1 ILE 44 2HG1 ILE 44 7.484 3.143 5.270 335 1HG2 ILE 44 1HG2 ILE 44 6.876 0.620 4.921 336 2HG2 ILE 44 2HG2 ILE 44 8.207 0.058 3.825 337 3HG2 ILE 44 3HG2 ILE 44 7.869 -0.705 5.403 338 1HD1 ILE 44 1HD1 ILE 44 10.464 3.562 4.807 339 2HD1 ILE 44 2HD1 ILE 44 9.205 4.793 4.655 340 3HD1 ILE 44 3HD1 ILE 44 9.634 4.109 6.207 341 H ALA 45 H ALA 45 8.028 -0.551 8.400 342 HA ALA 45 HA ALA 45 5.097 -0.598 8.190 343 1HB ALA 45 1HB ALA 45 6.889 -2.277 9.930 344 2HB ALA 45 2HB ALA 45 5.128 -2.059 10.219 345 3HB ALA 45 3HB ALA 45 5.644 -2.752 8.697 346 HA PRO 46 HA PRO 46 5.217 1.753 12.548 347 1HB PRO 46 1HB PRO 46 8.243 2.489 12.404 348 2HB PRO 46 2HB PRO 46 7.167 2.558 13.828 349 1HG PRO 46 1HG PRO 46 8.646 0.494 13.454 350 2HG PRO 46 2HG PRO 46 6.939 0.044 13.764 351 1HD PRO 46 1HD PRO 46 8.191 -0.183 11.098 352 2HD PRO 46 2HD PRO 46 6.885 -1.110 11.894 353 H ILE 47 H ILE 47 7.195 3.010 9.836 354 HA ILE 47 HA ILE 47 6.129 5.816 10.183 355 HB ILE 47 HB ILE 47 7.567 4.536 7.733 356 1HG1 ILE 47 1HG1 ILE 47 9.085 4.696 9.599 357 2HG1 ILE 47 2HG1 ILE 47 9.709 5.933 8.484 358 1HG2 ILE 47 1HG2 ILE 47 6.172 6.617 7.100 359 2HG2 ILE 47 2HG2 ILE 47 7.308 7.561 8.026 360 3HG2 ILE 47 3HG2 ILE 47 7.944 6.627 6.729 361 1HD1 ILE 47 1HD1 ILE 47 9.840 6.915 10.468 362 2HD1 ILE 47 2HD1 ILE 47 8.340 7.665 9.872 363 3HD1 ILE 47 3HD1 ILE 47 8.292 6.466 11.169 364 H PHE 48 H PHE 48 5.218 3.107 7.983 365 HA PHE 48 HA PHE 48 2.992 4.137 6.640 366 1HB PHE 48 1HB PHE 48 4.174 1.974 6.298 367 2HB PHE 48 2HB PHE 48 3.496 1.218 7.597 368 HD1 PHE 48 1HD PHE 48 1.997 -0.365 6.943 369 HD2 PHE 48 2HD PHE 48 2.247 3.182 4.587 370 HE1 PHE 48 1HE PHE 48 0.633 -1.464 5.267 371 HE2 PHE 48 2HE PHE 48 0.962 1.985 2.725 372 HZ PHE 48 HZ PHE 48 0.166 -0.251 3.053 373 H ALA 49 H ALA 49 3.160 2.812 9.873 374 HA ALA 49 HA ALA 49 0.345 2.922 10.504 375 1HB ALA 49 1HB ALA 49 1.986 1.211 11.424 376 2HB ALA 49 2HB ALA 49 2.735 2.529 12.522 377 3HB ALA 49 3HB ALA 49 1.042 2.033 12.760 378 H GLU 50 H GLU 50 3.170 5.125 11.556 379 HA GLU 50 HA GLU 50 1.416 6.978 13.042 380 1HB GLU 50 1HB GLU 50 3.992 6.756 13.155 381 2HB GLU 50 2HB GLU 50 4.110 7.415 11.566 382 1HG GLU 50 1HG GLU 50 3.260 9.606 12.474 383 2HG GLU 50 2HG GLU 50 2.780 8.840 14.064 384 HE2 GLU 50 HE GLU 50 6.131 10.751 13.971 385 H LEU 51 H LEU 51 2.592 7.003 9.589 386 HA LEU 51 HA LEU 51 0.940 9.121 8.594 387 1HB LEU 51 1HB LEU 51 2.895 8.172 7.401 388 2HB LEU 51 2HB LEU 51 2.124 6.731 7.304 389 HG LEU 51 HG LEU 51 2.382 8.254 5.246 390 1HD1 LEU 51 1HD1 LEU 51 0.376 7.171 4.221 391 2HD1 LEU 51 2HD1 LEU 51 1.294 6.044 5.226 392 3HD1 LEU 51 3HD1 LEU 51 -0.238 6.770 5.759 393 1HD2 LEU 51 1HD2 LEU 51 1.173 10.299 6.264 394 2HD2 LEU 51 2HD2 LEU 51 0.424 9.801 4.760 395 3HD2 LEU 51 3HD2 LEU 51 -0.355 9.307 6.230 396 H ALA 52 H ALA 52 -0.032 5.833 9.141 397 HA ALA 52 HA ALA 52 -2.776 5.875 8.029 398 1HB ALA 52 1HB ALA 52 -1.580 3.736 8.460 399 2HB ALA 52 2HB ALA 52 -1.750 4.037 10.196 400 3HB ALA 52 3HB ALA 52 -3.176 3.896 9.306 401 H LYS 53 H LYS 53 -1.548 6.818 11.159 402 HA LYS 53 HA LYS 53 -4.118 7.442 12.461 403 1HB LYS 53 1HB LYS 53 -1.335 7.800 13.218 404 2HB LYS 53 2HB LYS 53 -2.640 8.366 14.294 405 1HG LYS 53 1HG LYS 53 -3.472 6.243 14.777 406 2HG LYS 53 2HG LYS 53 -2.727 5.505 13.373 407 1HD LYS 53 1HD LYS 53 -0.391 6.060 14.708 408 2HD LYS 53 2HD LYS 53 -1.581 6.282 16.044 409 1HE LYS 53 1HE LYS 53 -2.300 3.811 15.909 410 2HE LYS 53 2HE LYS 53 -1.395 3.568 14.452 411 1HZ LYS 53 1HZ LYS 53 -0.212 4.168 17.082 412 2HZ LYS 53 2HZ LYS 53 -0.333 2.649 16.462 413 H LYS 54 H LYS 54 -1.739 9.217 10.569 414 HA LYS 54 HA LYS 54 -2.589 11.898 11.314 415 1HB LYS 54 1HB LYS 54 -0.173 11.244 10.789 416 2HB LYS 54 2HB LYS 54 -0.733 10.864 9.094 417 1HG LYS 54 1HG LYS 54 -1.540 13.301 8.856 418 2HG LYS 54 2HG LYS 54 -0.870 13.647 10.441 419 1HD LYS 54 1HD LYS 54 0.803 12.532 8.058 420 2HD LYS 54 2HD LYS 54 0.713 14.293 8.588 421 1HE LYS 54 1HE LYS 54 1.784 13.719 10.746 422 2HE LYS 54 2HE LYS 54 1.971 11.985 10.248 423 1HZ LYS 54 1HZ LYS 54 3.970 12.779 9.722 424 2HZ LYS 54 2HZ LYS 54 3.232 13.060 8.312 425 H PHE 55 H PHE 55 -3.375 9.633 9.040 426 HA PHE 55 HA PHE 55 -4.981 11.473 7.260 427 1HB PHE 55 1HB PHE 55 -2.695 9.579 6.678 428 2HB PHE 55 2HB PHE 55 -3.953 9.660 5.581 429 HD1 PHE 55 1HD PHE 55 -1.246 11.879 6.914 430 HD2 PHE 55 2HD PHE 55 -4.892 11.906 4.642 431 HE1 PHE 55 1HE PHE 55 -0.637 14.068 5.914 432 HE2 PHE 55 2HE PHE 55 -4.343 14.003 3.685 433 HZ PHE 55 HZ PHE 55 -2.303 15.164 4.422 434 HA PRO 56 HA PRO 56 -8.456 8.430 8.384 435 1HB PRO 56 1HB PRO 56 -10.376 10.056 8.297 436 2HB PRO 56 2HB PRO 56 -9.090 10.163 9.476 437 1HG PRO 56 1HG PRO 56 -9.209 11.569 6.772 438 2HG PRO 56 2HG PRO 56 -9.149 12.359 8.390 439 1HD PRO 56 1HD PRO 56 -6.930 11.911 6.890 440 2HD PRO 56 2HD PRO 56 -6.811 11.813 8.617 441 H ASN 57 H ASN 57 -8.120 9.593 5.218 442 HA ASN 57 HA ASN 57 -10.677 8.656 4.210 443 1HB ASN 57 1HB ASN 57 -10.323 9.928 2.176 444 2HB ASN 57 2HB ASN 57 -10.414 10.876 3.621 445 1HD2 ASN 57 2HD2 ASN 57 -8.729 12.055 4.194 446 2HD2 ASN 57 1HD2 ASN 57 -7.163 12.342 3.114 447 H VAL 58 H VAL 58 -8.035 7.129 4.880 448 HA VAL 58 HA VAL 58 -7.475 5.907 2.243 449 HB VAL 58 HB VAL 58 -6.354 7.952 2.073 450 1HG1 VAL 58 1HG1 VAL 58 -4.980 7.766 4.786 451 2HG1 VAL 58 2HG1 VAL 58 -4.569 8.858 3.387 452 3HG1 VAL 58 3HG1 VAL 58 -6.237 8.875 4.256 453 1HG2 VAL 58 1HG2 VAL 58 -5.223 6.157 1.166 454 2HG2 VAL 58 2HG2 VAL 58 -3.932 7.322 1.807 455 3HG2 VAL 58 3HG2 VAL 58 -4.433 5.759 2.675 456 H THR 59 H THR 59 -7.653 3.938 2.547 457 HA THR 59 HA THR 59 -6.998 2.344 4.884 458 HB THR 59 HB THR 59 -7.718 1.435 2.086 459 HG1 THR 59 1HG THR 59 -9.513 2.255 2.971 460 1HG2 THR 59 1HG2 THR 59 -7.523 -0.320 4.606 461 2HG2 THR 59 2HG2 THR 59 -8.426 -0.752 3.156 462 3HG2 THR 59 3HG2 THR 59 -6.727 -0.508 3.039 463 H PHE 60 H PHE 60 -5.479 0.742 4.945 464 HA PHE 60 HA PHE 60 -3.046 0.870 3.180 465 1HB PHE 60 1HB PHE 60 -2.726 1.335 6.214 466 2HB PHE 60 2HB PHE 60 -1.474 1.204 5.131 467 HD1 PHE 60 1HD PHE 60 -1.390 2.880 3.261 468 HD2 PHE 60 2HD PHE 60 -3.994 3.530 6.596 469 HE1 PHE 60 1HE PHE 60 -1.305 5.356 2.909 470 HE2 PHE 60 2HE PHE 60 -4.034 5.907 6.118 471 HZ PHE 60 HZ PHE 60 -2.596 7.000 4.442 472 H LEU 61 H LEU 61 -2.277 -0.880 2.697 473 HA LEU 61 HA LEU 61 -2.493 -3.305 4.319 474 1HB LEU 61 1HB LEU 61 -3.766 -4.570 3.017 475 2HB LEU 61 2HB LEU 61 -4.581 -2.982 2.873 476 HG LEU 61 HG LEU 61 -2.974 -3.154 0.523 477 1HD1 LEU 61 1HD1 LEU 61 -4.094 -5.946 0.806 478 2HD1 LEU 61 2HD1 LEU 61 -3.251 -5.399 -0.598 479 3HD1 LEU 61 3HD1 LEU 61 -2.394 -5.643 1.010 480 1HD2 LEU 61 1HD2 LEU 61 -5.481 -2.607 0.490 481 2HD2 LEU 61 2HD2 LEU 61 -5.079 -3.784 -0.726 482 3HD2 LEU 61 3HD2 LEU 61 -5.717 -4.247 0.993 483 H LYS 62 H LYS 62 -1.287 -5.024 3.568 484 HA LYS 62 HA LYS 62 1.201 -4.219 2.089 485 1HB LYS 62 1HB LYS 62 2.647 -4.573 4.122 486 2HB LYS 62 2HB LYS 62 1.686 -3.187 4.161 487 1HG LYS 62 1HG LYS 62 0.179 -4.356 5.861 488 2HG LYS 62 2HG LYS 62 1.121 -5.849 5.801 489 1HD LYS 62 1HD LYS 62 2.123 -3.127 6.873 490 2HD LYS 62 2HD LYS 62 1.348 -4.472 7.805 491 1HE LYS 62 1HE LYS 62 4.086 -4.532 6.346 492 2HE LYS 62 2HE LYS 62 3.887 -4.558 8.014 493 1HZ LYS 62 1HZ LYS 62 4.334 -6.873 7.577 494 2HZ LYS 62 2HZ LYS 62 3.021 -7.021 6.546 495 H VAL 63 H VAL 63 1.326 -5.729 0.830 496 HA VAL 63 HA VAL 63 0.721 -8.481 1.308 497 HB VAL 63 HB VAL 63 1.765 -7.170 -1.210 498 1HG1 VAL 63 1HG1 VAL 63 0.542 -10.013 -0.652 499 2HG1 VAL 63 2HG1 VAL 63 0.921 -9.487 -2.227 500 3HG1 VAL 63 3HG1 VAL 63 2.241 -9.782 -1.021 501 1HG2 VAL 63 1HG2 VAL 63 -1.094 -7.872 -0.464 502 2HG2 VAL 63 2HG2 VAL 63 -0.402 -6.328 -0.835 503 3HG2 VAL 63 3HG2 VAL 63 -0.549 -7.554 -2.057 504 H ASP 64 H ASP 64 2.066 -10.008 2.180 505 HA ASP 64 HA ASP 64 5.033 -10.046 2.038 506 1HB ASP 64 1HB ASP 64 3.457 -11.293 3.727 507 2HB ASP 64 2HB ASP 64 2.750 -12.169 2.469 508 HD2 ASP 64 HD ASP 64 6.120 -13.302 4.230 509 H VAL 65 H VAL 65 5.569 -9.657 0.135 510 HA VAL 65 HA VAL 65 4.670 -10.757 -2.477 511 HB VAL 65 HB VAL 65 5.939 -8.693 -1.953 512 1HG1 VAL 65 1HG1 VAL 65 8.052 -9.866 -0.920 513 2HG1 VAL 65 2HG1 VAL 65 8.422 -10.410 -2.575 514 3HG1 VAL 65 3HG1 VAL 65 8.501 -8.627 -1.960 515 1HG2 VAL 65 1HG2 VAL 65 6.636 -8.316 -4.151 516 2HG2 VAL 65 2HG2 VAL 65 6.998 -10.103 -4.490 517 3HG2 VAL 65 3HG2 VAL 65 5.317 -9.611 -4.347 518 H ASP 66 H ASP 66 6.645 -12.251 -0.269 519 HA ASP 66 HA ASP 66 7.698 -14.332 -2.187 520 1HB ASP 66 1HB ASP 66 7.692 -14.768 0.799 521 2HB ASP 66 2HB ASP 66 8.372 -16.013 -0.259 522 HD2 ASP 66 HD ASP 66 10.472 -12.925 0.972 523 H GLU 67 H GLU 67 4.951 -14.264 -0.046 524 HA GLU 67 HA GLU 67 3.730 -16.782 -0.850 525 1HB GLU 67 1HB GLU 67 2.959 -14.250 0.710 526 2HB GLU 67 2HB GLU 67 1.713 -15.223 0.002 527 1HG GLU 67 1HG GLU 67 2.640 -17.305 1.268 528 2HG GLU 67 2HG GLU 67 3.596 -16.115 2.150 529 HE2 GLU 67 HE GLU 67 -0.021 -16.612 3.306 530 H LEU 68 H LEU 68 4.034 -13.787 -2.520 531 HA LEU 68 HA LEU 68 1.991 -14.410 -4.647 532 1HB LEU 68 1HB LEU 68 1.698 -12.048 -2.414 533 2HB LEU 68 2HB LEU 68 0.805 -11.934 -3.879 534 HG LEU 68 HG LEU 68 0.250 -14.271 -2.012 535 1HD1 LEU 68 1HD1 LEU 68 -1.922 -12.821 -1.331 536 2HD1 LEU 68 2HD1 LEU 68 -0.426 -12.222 -0.681 537 3HD1 LEU 68 3HD1 LEU 68 -1.045 -11.509 -2.161 538 1HD2 LEU 68 1HD2 LEU 68 -1.746 -14.626 -3.239 539 2HD2 LEU 68 2HD2 LEU 68 -1.436 -13.087 -4.184 540 3HD2 LEU 68 3HD2 LEU 68 -0.340 -14.403 -4.324 541 H LYS 69 H LYS 69 4.272 -14.197 -4.983 542 HA LYS 69 HA LYS 69 5.475 -11.696 -6.174 543 1HB LYS 69 1HB LYS 69 7.303 -12.935 -7.152 544 2HB LYS 69 2HB LYS 69 7.065 -13.233 -5.488 545 1HG LYS 69 1HG LYS 69 5.858 -15.456 -6.118 546 2HG LYS 69 2HG LYS 69 6.313 -15.093 -7.800 547 1HD LYS 69 1HD LYS 69 7.912 -16.538 -7.063 548 2HD LYS 69 2HD LYS 69 8.813 -15.029 -7.003 549 1HE LYS 69 1HE LYS 69 8.443 -15.042 -4.482 550 2HE LYS 69 2HE LYS 69 7.469 -16.555 -4.647 551 1HZ LYS 69 1HZ LYS 69 9.589 -17.283 -4.068 552 2HZ LYS 69 2HZ LYS 69 9.211 -17.797 -5.558 553 H ALA 70 H ALA 70 3.578 -14.117 -7.698 554 HA ALA 70 HA ALA 70 3.957 -13.559 -10.536 555 1HB ALA 70 1HB ALA 70 1.761 -14.922 -10.740 556 2HB ALA 70 2HB ALA 70 3.147 -15.698 -10.098 557 3HB ALA 70 3HB ALA 70 1.856 -15.155 -8.990 558 H VAL 71 H VAL 71 1.128 -12.812 -8.532 559 HA VAL 71 HA VAL 71 0.050 -10.713 -10.357 560 HB VAL 71 HB VAL 71 -1.552 -11.885 -8.672 561 1HG1 VAL 71 1HG1 VAL 71 -1.408 -11.415 -6.143 562 2HG1 VAL 71 2HG1 VAL 71 -0.091 -12.220 -6.932 563 3HG1 VAL 71 3HG1 VAL 71 0.126 -10.489 -6.515 564 1HG2 VAL 71 1HG2 VAL 71 -2.373 -9.612 -9.425 565 2HG2 VAL 71 2HG2 VAL 71 -2.680 -9.871 -7.800 566 3HG2 VAL 71 3HG2 VAL 71 -1.204 -8.933 -8.144 567 H ALA 72 H ALA 72 2.013 -10.262 -7.206 568 HA ALA 72 HA ALA 72 2.403 -7.408 -7.293 569 1HB ALA 72 1HB ALA 72 4.551 -9.572 -7.062 570 2HB ALA 72 2HB ALA 72 4.885 -8.046 -6.335 571 3HB ALA 72 3HB ALA 72 3.536 -8.998 -5.691 572 H GLU 73 H GLU 73 3.951 -9.621 -9.209 573 HA GLU 73 HA GLU 73 5.766 -7.845 -10.799 574 1HB GLU 73 1HB GLU 73 6.244 -10.212 -10.393 575 2HB GLU 73 2HB GLU 73 4.791 -10.657 -11.251 576 1HG GLU 73 1HG GLU 73 5.443 -9.585 -13.314 577 2HG GLU 73 2HG GLU 73 6.894 -9.010 -12.627 578 HE2 GLU 73 HE GLU 73 8.342 -9.914 -13.678 579 H GLU 74 H GLU 74 2.603 -9.204 -11.251 580 HA GLU 74 HA GLU 74 1.962 -8.061 -13.985 581 1HB GLU 74 1HB GLU 74 0.180 -9.330 -13.820 582 2HB GLU 74 2HB GLU 74 0.636 -9.865 -12.223 583 1HG GLU 74 1HG GLU 74 -1.675 -9.285 -12.031 584 2HG GLU 74 2HG GLU 74 -1.087 -7.883 -11.387 585 HE2 GLU 74 HE GLU 74 -3.480 -7.757 -11.981 586 H TRP 75 H TRP 75 1.055 -6.693 -10.532 587 HA TRP 75 HA TRP 75 0.125 -4.155 -11.472 588 1HB TRP 75 1HB TRP 75 1.462 -4.301 -8.828 589 2HB TRP 75 2HB TRP 75 0.317 -3.176 -9.381 590 HD1 TRP 75 HD TRP 75 0.646 -6.209 -7.317 591 HE1 TRP 75 1HE TRP 75 -1.651 -7.416 -6.668 592 HE3 TRP 75 3HE TRP 75 -2.180 -4.106 -10.862 593 HZ2 TRP 75 2HZ TRP 75 -3.815 -7.761 -7.914 594 HZ3 TRP 75 3HZ TRP 75 -4.500 -4.878 -11.204 595 HH2 TRP 75 HH TRP 75 -5.275 -6.928 -10.033 596 H ASN 76 H ASN 76 3.407 -5.022 -10.502 597 HA ASN 76 HA ASN 76 4.793 -4.539 -12.535 598 1HB ASN 76 1HB ASN 76 3.686 -2.275 -13.199 599 2HB ASN 76 2HB ASN 76 4.390 -1.562 -11.813 600 1HD2 ASN 76 1HD2 ASN 76 5.129 -3.735 -14.475 601 2HD2 ASN 76 2HD2 ASN 76 6.438 -2.750 -15.185 602 H VAL 77 H VAL 77 5.749 -5.981 -10.823 603 HA VAL 77 HA VAL 77 7.800 -4.492 -9.298 604 HB VAL 77 HB VAL 77 5.979 -6.615 -7.740 605 1HG1 VAL 77 1HG1 VAL 77 6.744 -5.296 -5.834 606 2HG1 VAL 77 2HG1 VAL 77 7.912 -6.405 -6.607 607 3HG1 VAL 77 3HG1 VAL 77 8.204 -4.974 -6.784 608 1HG2 VAL 77 1HG2 VAL 77 5.555 -3.521 -7.391 609 2HG2 VAL 77 2HG2 VAL 77 4.344 -4.559 -8.240 610 3HG2 VAL 77 3HG2 VAL 77 4.737 -4.875 -6.591 611 H GLU 78 H GLU 78 9.064 -5.461 -10.416 612 HA GLU 78 HA GLU 78 10.286 -7.844 -9.070 613 1HB GLU 78 1HB GLU 78 11.912 -8.130 -10.722 614 2HB GLU 78 2HB GLU 78 10.257 -8.481 -11.186 615 1HG GLU 78 1HG GLU 78 10.166 -6.875 -12.800 616 2HG GLU 78 2HG GLU 78 11.547 -5.930 -12.317 617 HE2 GLU 78 HE GLU 78 12.270 -5.821 -14.448 618 H ALA 79 H ALA 79 9.983 -5.222 -7.798 619 HA ALA 79 HA ALA 79 12.791 -4.582 -7.254 620 1HB ALA 79 1HB ALA 79 10.705 -2.542 -8.231 621 2HB ALA 79 2HB ALA 79 12.544 -2.173 -7.842 622 3HB ALA 79 3HB ALA 79 12.235 -3.144 -9.026 623 H MET 80 H MET 80 13.104 -4.593 -5.409 624 HA MET 80 HA MET 80 11.030 -4.410 -3.194 625 1HB MET 80 1HB MET 80 13.840 -5.427 -2.774 626 2HB MET 80 2HB MET 80 12.809 -5.199 -1.407 627 1HG MET 80 1HG MET 80 11.722 -7.084 -3.571 628 2HG MET 80 2HG MET 80 12.496 -7.468 -2.225 629 1HE MET 80 1HE MET 80 9.599 -6.756 -4.191 630 2HE MET 80 2HE MET 80 8.205 -6.757 -3.227 631 3HE MET 80 3HE MET 80 8.965 -5.287 -3.613 632 HA PRO 81 HA PRO 81 9.806 -2.869 -3.153 633 1HB PRO 81 1HB PRO 81 9.026 -2.543 -0.554 634 2HB PRO 81 2HB PRO 81 10.281 -3.648 -0.850 635 1HG PRO 81 1HG PRO 81 10.338 -0.733 0.264 636 2HG PRO 81 2HG PRO 81 11.552 -1.991 0.640 637 1HD PRO 81 1HD PRO 81 11.848 0.162 -1.388 638 2HD PRO 81 2HD PRO 81 12.953 -1.161 -0.963 639 H THR 82 H THR 82 7.984 -2.455 -2.865 640 HA THR 82 HA THR 82 7.519 -0.007 -4.453 641 HB THR 82 HB THR 82 5.917 -2.520 -4.890 642 HG1 THR 82 1HG THR 82 7.888 -3.229 -5.760 643 1HG2 THR 82 1HG2 THR 82 6.032 -1.601 -7.451 644 2HG2 THR 82 2HG2 THR 82 5.051 -0.601 -6.028 645 3HG2 THR 82 3HG2 THR 82 6.630 -0.019 -6.716 646 H PHE 83 H PHE 83 5.986 1.008 -3.911 647 HA PHE 83 HA PHE 83 3.301 0.562 -2.520 648 1HB PHE 83 1HB PHE 83 4.647 3.322 -2.748 649 2HB PHE 83 2HB PHE 83 3.258 3.004 -1.961 650 HD1 PHE 83 1HD PHE 83 6.746 2.959 -1.373 651 HD2 PHE 83 2HD PHE 83 2.883 1.755 0.229 652 HE1 PHE 83 1HE PHE 83 7.759 2.968 0.749 653 HE2 PHE 83 2HE PHE 83 3.892 1.589 2.462 654 HZ PHE 83 HZ PHE 83 6.580 1.988 2.636 655 H ILE 84 H ILE 84 1.796 0.544 -3.667 656 HA ILE 84 HA ILE 84 1.450 2.039 -6.073 657 HB ILE 84 HB ILE 84 1.213 -0.840 -5.331 658 1HG1 ILE 84 1HG1 ILE 84 2.012 0.095 -7.957 659 2HG1 ILE 84 2HG1 ILE 84 3.041 0.334 -6.612 660 1HG2 ILE 84 1HG2 ILE 84 -1.116 -0.743 -5.902 661 2HG2 ILE 84 2HG2 ILE 84 -1.012 0.166 -7.089 662 3HG2 ILE 84 3HG2 ILE 84 -0.244 -1.375 -7.388 663 1HD1 ILE 84 1HD1 ILE 84 3.664 -1.630 -7.915 664 2HD1 ILE 84 2HD1 ILE 84 3.096 -2.138 -6.235 665 3HD1 ILE 84 3HD1 ILE 84 2.042 -2.401 -7.706 666 H PHE 85 H PHE 85 0.101 3.202 -6.227 667 HA PHE 85 HA PHE 85 -2.139 3.680 -4.255 668 1HB PHE 85 1HB PHE 85 -0.974 5.492 -6.532 669 2HB PHE 85 2HB PHE 85 -2.188 6.032 -5.524 670 HD1 PHE 85 1HD PHE 85 1.410 4.913 -4.894 671 HD2 PHE 85 2HD PHE 85 -2.012 7.290 -3.641 672 HE1 PHE 85 1HE PHE 85 2.600 5.790 -2.942 673 HE2 PHE 85 2HE PHE 85 -0.806 8.020 -1.658 674 HZ PHE 85 HZ PHE 85 1.533 7.310 -1.294 675 H LEU 86 H LEU 86 -3.788 2.829 -4.723 676 HA LEU 86 HA LEU 86 -5.244 2.592 -7.404 677 1HB LEU 86 1HB LEU 86 -3.847 0.406 -6.072 678 2HB LEU 86 2HB LEU 86 -5.148 0.698 -4.998 679 HG LEU 86 HG LEU 86 -5.928 -1.012 -6.172 680 1HD1 LEU 86 1HD1 LEU 86 -7.690 0.702 -6.297 681 2HD1 LEU 86 2HD1 LEU 86 -7.384 1.106 -8.010 682 3HD1 LEU 86 3HD1 LEU 86 -7.847 -0.552 -7.501 683 1HD2 LEU 86 1HD2 LEU 86 -4.180 -1.256 -7.919 684 2HD2 LEU 86 2HD2 LEU 86 -5.744 -1.372 -8.726 685 3HD2 LEU 86 3HD2 LEU 86 -4.759 0.190 -8.664 686 H LYS 87 H LYS 87 -6.685 3.894 -7.038 687 HA LYS 87 HA LYS 87 -8.415 4.281 -4.627 688 1HB LYS 87 1HB LYS 87 -6.948 6.044 -5.961 689 2HB LYS 87 2HB LYS 87 -8.058 5.967 -7.206 690 1HG LYS 87 1HG LYS 87 -9.747 6.798 -5.445 691 2HG LYS 87 2HG LYS 87 -8.529 6.938 -4.289 692 1HD LYS 87 1HD LYS 87 -7.302 8.695 -5.366 693 2HD LYS 87 2HD LYS 87 -8.133 8.494 -6.906 694 1HE LYS 87 1HE LYS 87 -10.391 9.311 -5.841 695 2HE LYS 87 2HE LYS 87 -9.467 9.643 -4.422 696 1HZ LYS 87 1HZ LYS 87 -9.652 11.521 -5.688 697 2HZ LYS 87 2HZ LYS 87 -8.128 11.156 -5.634 698 H ASP 88 H ASP 88 -10.747 4.612 -5.072 699 HA ASP 88 HA ASP 88 -12.207 3.451 -7.203 700 1HB ASP 88 1HB ASP 88 -13.955 5.032 -6.793 701 2HB ASP 88 2HB ASP 88 -13.135 4.727 -5.205 702 HD2 ASP 88 HD ASP 88 -12.339 7.850 -4.339 703 H GLY 89 H GLY 89 -10.071 4.000 -8.885 704 1HA GLY 89 1HA GLY 89 -11.441 4.533 -11.269 705 2HA GLY 89 2HA GLY 89 -10.459 5.915 -11.038 706 H LYS 90 H LYS 90 -9.942 2.473 -10.118 707 HA LYS 90 HA LYS 90 -8.246 0.961 -10.358 708 1HB LYS 90 1HB LYS 90 -7.737 2.196 -13.142 709 2HB LYS 90 2HB LYS 90 -7.178 0.550 -12.560 710 1HG LYS 90 1HG LYS 90 -9.474 -0.172 -12.447 711 2HG LYS 90 2HG LYS 90 -10.147 1.336 -13.024 712 1HD LYS 90 1HD LYS 90 -8.087 -0.249 -14.630 713 2HD LYS 90 2HD LYS 90 -9.779 -0.686 -14.775 714 1HE LYS 90 1HE LYS 90 -10.013 1.955 -15.329 715 2HE LYS 90 2HE LYS 90 -8.271 2.124 -15.356 716 1HZ LYS 90 1HZ LYS 90 -8.883 -0.059 -16.983 717 2HZ LYS 90 2HZ LYS 90 -8.050 1.344 -17.186 718 H LEU 91 H LEU 91 -5.706 1.129 -11.514 719 HA LEU 91 HA LEU 91 -4.076 2.341 -9.314 720 1HB LEU 91 1HB LEU 91 -3.315 0.252 -10.828 721 2HB LEU 91 2HB LEU 91 -3.406 1.097 -12.256 722 HG LEU 91 HG LEU 91 -1.438 2.415 -11.693 723 1HD1 LEU 91 1HD1 LEU 91 0.176 1.816 -9.828 724 2HD1 LEU 91 2HD1 LEU 91 -1.408 2.414 -9.156 725 3HD1 LEU 91 3HD1 LEU 91 -1.049 0.648 -9.238 726 1HD2 LEU 91 1HD2 LEU 91 0.090 0.603 -12.468 727 2HD2 LEU 91 2HD2 LEU 91 -0.661 -0.468 -11.246 728 3HD2 LEU 91 3HD2 LEU 91 -1.410 -0.314 -12.602 729 H VAL 92 H VAL 92 -4.157 4.379 -8.994 730 HA VAL 92 HA VAL 92 -3.953 6.440 -11.131 731 HB VAL 92 HB VAL 92 -4.189 8.134 -9.376 732 1HG1 VAL 92 1HG1 VAL 92 -6.561 7.748 -8.863 733 2HG1 VAL 92 2HG1 VAL 92 -6.117 7.347 -10.380 734 3HG1 VAL 92 3HG1 VAL 92 -6.484 6.035 -9.292 735 1HG2 VAL 92 1HG2 VAL 92 -4.489 7.700 -7.028 736 2HG2 VAL 92 2HG2 VAL 92 -4.847 5.948 -7.274 737 3HG2 VAL 92 3HG2 VAL 92 -3.266 6.533 -7.489 738 H ASP 93 H ASP 93 -1.678 4.886 -9.168 739 HA ASP 93 HA ASP 93 0.462 6.261 -10.555 740 1HB ASP 93 1HB ASP 93 -0.682 8.150 -8.890 741 2HB ASP 93 2HB ASP 93 -0.051 7.163 -7.638 742 HD2 ASP 93 HD ASP 93 1.933 7.425 -7.089 743 H LYS 94 H LYS 94 2.780 6.249 -9.256 744 HA LYS 94 HA LYS 94 3.125 3.874 -7.618 745 1HB LYS 94 1HB LYS 94 4.473 2.689 -9.209 746 2HB LYS 94 2HB LYS 94 2.847 2.809 -9.697 747 1HG LYS 94 1HG LYS 94 5.251 4.347 -10.854 748 2HG LYS 94 2HG LYS 94 4.634 2.858 -11.379 749 1HD LYS 94 1HD LYS 94 3.040 5.383 -11.783 750 2HD LYS 94 2HD LYS 94 3.850 4.235 -12.884 751 1HE LYS 94 1HE LYS 94 2.281 2.420 -12.338 752 2HE LYS 94 2HE LYS 94 1.333 3.758 -11.384 753 1HZ LYS 94 1HZ LYS 94 1.297 3.135 -14.078 754 2HZ LYS 94 2HZ LYS 94 0.312 4.183 -13.070 755 H THR 95 H THR 95 4.915 3.563 -6.464 756 HA THR 95 HA THR 95 7.376 5.375 -6.592 757 HB THR 95 HB THR 95 5.360 5.675 -4.418 758 HG1 THR 95 1HG THR 95 5.226 7.558 -5.106 759 1HG2 THR 95 1HG2 THR 95 7.611 5.362 -3.321 760 2HG2 THR 95 2HG2 THR 95 8.259 6.549 -4.312 761 3HG2 THR 95 3HG2 THR 95 7.000 7.038 -3.226 762 H VAL 96 H VAL 96 8.893 4.096 -6.234 763 HA VAL 96 HA VAL 96 8.934 1.917 -4.230 764 HB VAL 96 HB VAL 96 8.564 1.018 -6.336 765 1HG1 VAL 96 1HG1 VAL 96 10.201 1.251 -8.485 766 2HG1 VAL 96 2HG1 VAL 96 8.980 2.322 -8.132 767 3HG1 VAL 96 3HG1 VAL 96 10.725 2.759 -7.629 768 1HG2 VAL 96 1HG2 VAL 96 10.084 -0.123 -4.967 769 2HG2 VAL 96 2HG2 VAL 96 10.400 -0.669 -6.549 770 3HG2 VAL 96 3HG2 VAL 96 11.502 0.513 -5.673 771 H GLY 97 H GLY 97 10.078 2.231 -2.955 772 1HA GLY 97 1HA GLY 97 12.550 2.453 -2.381 773 2HA GLY 97 2HA GLY 97 12.344 4.182 -2.614 774 H ALA 98 H ALA 98 11.608 1.659 -0.227 775 HA ALA 98 HA ALA 98 10.061 3.278 1.503 776 1HB ALA 98 1HB ALA 98 10.468 0.772 2.058 777 2HB ALA 98 2HB ALA 98 12.187 0.977 1.948 778 3HB ALA 98 3HB ALA 98 11.294 1.728 3.224 779 H ASP 99 H ASP 99 10.408 5.206 2.364 780 HA ASP 99 HA ASP 99 12.868 5.902 3.756 781 1HB ASP 99 1HB ASP 99 13.091 6.434 1.245 782 2HB ASP 99 2HB ASP 99 11.700 7.555 1.252 783 HD2 ASP 99 HD ASP 99 13.283 10.077 3.340 784 H LYS 100 H LYS 100 12.437 6.741 5.469 785 HA LYS 100 HA LYS 100 10.059 7.024 6.511 786 1HB LYS 100 1HB LYS 100 11.011 8.493 8.331 787 2HB LYS 100 2HB LYS 100 12.160 7.193 7.748 788 1HG LYS 100 1HG LYS 100 12.361 10.148 7.613 789 2HG LYS 100 2HG LYS 100 13.373 9.108 8.463 790 1HD LYS 100 1HD LYS 100 14.242 7.944 6.348 791 2HD LYS 100 2HD LYS 100 13.285 9.003 5.424 792 1HE LYS 100 1HE LYS 100 14.636 11.042 5.711 793 2HE LYS 100 2HE LYS 100 15.722 10.304 6.946 794 1HZ LYS 100 1HZ LYS 100 16.647 10.039 4.674 795 2HZ LYS 100 2HZ LYS 100 16.408 8.655 5.445 796 H ASP 101 H ASP 101 11.350 9.867 5.234 797 HA ASP 101 HA ASP 101 8.868 11.451 5.529 798 1HB ASP 101 1HB ASP 101 9.844 13.368 4.495 799 2HB ASP 101 2HB ASP 101 10.929 12.817 5.690 800 HD2 ASP 101 HD ASP 101 12.220 13.618 2.072 801 H GLY 102 H GLY 102 10.262 9.895 2.703 802 1HA GLY 102 1HA GLY 102 9.125 10.922 0.417 803 2HA GLY 102 2HA GLY 102 9.530 9.262 0.699 804 H LEU 103 H LEU 103 7.921 8.057 2.039 805 HA LEU 103 HA LEU 103 5.335 7.813 0.954 806 1HB LEU 103 1HB LEU 103 6.503 6.169 2.194 807 2HB LEU 103 2HB LEU 103 6.628 7.077 3.630 808 HG LEU 103 HG LEU 103 4.182 6.606 4.064 809 1HD1 LEU 103 1HD1 LEU 103 2.912 5.103 2.436 810 2HD1 LEU 103 2HD1 LEU 103 3.233 6.644 1.859 811 3HD1 LEU 103 3HD1 LEU 103 4.091 5.356 1.221 812 1HD2 LEU 103 1HD2 LEU 103 4.307 4.268 4.478 813 2HD2 LEU 103 2HD2 LEU 103 5.898 4.119 3.549 814 3HD2 LEU 103 3HD2 LEU 103 5.760 5.037 4.979 815 HA PRO 104 HA PRO 104 3.102 10.591 4.583 816 1HB PRO 104 1HB PRO 104 5.693 12.041 5.397 817 2HB PRO 104 2HB PRO 104 4.162 11.837 6.289 818 1HG PRO 104 1HG PRO 104 6.334 10.316 6.818 819 2HG PRO 104 2HG PRO 104 4.682 9.484 6.687 820 1HD PRO 104 1HD PRO 104 6.974 9.621 4.676 821 2HD PRO 104 2HD PRO 104 5.825 8.311 4.942 822 H THR 105 H THR 105 5.715 12.040 2.645 823 HA THR 105 HA THR 105 4.305 14.578 2.001 824 HB THR 105 HB THR 105 6.842 13.485 0.570 825 HG1 THR 105 1HG THR 105 7.221 13.679 2.876 826 1HG2 THR 105 1HG2 THR 105 7.198 16.063 0.394 827 2HG2 THR 105 2HG2 THR 105 6.018 15.338 -0.668 828 3HG2 THR 105 3HG2 THR 105 5.497 16.240 0.798 829 H LEU 106 H LEU 106 5.052 11.807 -0.105 830 HA LEU 106 HA LEU 106 3.462 12.402 -2.324 831 1HB LEU 106 1HB LEU 106 5.226 10.635 -2.185 832 2HB LEU 106 2HB LEU 106 4.223 9.739 -1.111 833 HG LEU 106 HG LEU 106 2.509 9.298 -2.722 834 1HD1 LEU 106 1HD1 LEU 106 3.174 9.271 -5.185 835 2HD1 LEU 106 2HD1 LEU 106 2.737 10.932 -4.546 836 3HD1 LEU 106 3HD1 LEU 106 4.425 10.451 -4.880 837 1HD2 LEU 106 1HD2 LEU 106 3.682 7.512 -3.834 838 2HD2 LEU 106 2HD2 LEU 106 5.136 7.962 -2.952 839 3HD2 LEU 106 3HD2 LEU 106 3.601 7.639 -2.089 840 H VAL 107 H VAL 107 2.486 10.669 0.495 841 HA VAL 107 HA VAL 107 -0.437 10.040 -0.135 842 HB VAL 107 HB VAL 107 0.995 9.919 2.493 843 1HG1 VAL 107 1HG1 VAL 107 -1.611 10.342 2.877 844 2HG1 VAL 107 2HG1 VAL 107 -1.884 9.089 1.755 845 3HG1 VAL 107 3HG1 VAL 107 -1.173 8.716 3.308 846 1HG2 VAL 107 1HG2 VAL 107 0.480 7.323 2.130 847 2HG2 VAL 107 2HG2 VAL 107 0.043 7.783 0.359 848 3HG2 VAL 107 3HG2 VAL 107 1.619 8.070 0.973 849 H ALA 108 H ALA 108 1.152 12.872 1.638 850 HA ALA 108 HA ALA 108 -1.157 14.348 2.097 851 1HB ALA 108 1HB ALA 108 0.356 16.257 1.971 852 2HB ALA 108 2HB ALA 108 0.927 14.938 3.046 853 3HB ALA 108 3HB ALA 108 1.640 15.229 1.335 854 H LYS 109 H LYS 109 1.106 14.174 -0.721 855 HA LYS 109 HA LYS 109 -0.263 16.160 -2.342 856 1HB LYS 109 1HB LYS 109 1.737 14.022 -3.421 857 2HB LYS 109 2HB LYS 109 0.994 15.413 -4.276 858 1HG LYS 109 1HG LYS 109 2.019 17.017 -2.766 859 2HG LYS 109 2HG LYS 109 2.868 15.681 -1.979 860 1HD LYS 109 1HD LYS 109 4.000 15.045 -4.105 861 2HD LYS 109 2HD LYS 109 3.083 16.237 -5.024 862 1HE LYS 109 1HE LYS 109 4.208 18.057 -4.390 863 2HE LYS 109 2HE LYS 109 4.617 17.404 -2.790 864 1HZ LYS 109 1HZ LYS 109 6.590 17.382 -4.154 865 2HZ LYS 109 2HZ LYS 109 6.184 15.886 -3.885 866 H HIS 110 H HIS 110 -0.708 12.545 -2.254 867 HA HIS 110 HA HIS 110 -2.858 12.706 -4.203 868 1HB HIS 110 1HB HIS 110 -1.533 10.520 -2.497 869 2HB HIS 110 2HB HIS 110 -3.196 10.196 -2.998 870 HD1 HIS 110 1HD HIS 110 -3.710 10.521 -5.686 871 HD2 HIS 110 2HD HIS 110 0.344 10.249 -4.444 872 HE1 HIS 110 1HE HIS 110 -2.222 9.760 -7.695 873 H ALA 111 H ALA 111 -3.224 11.949 -0.658 874 HA ALA 111 HA ALA 111 -5.972 12.157 -0.248 875 1HB ALA 111 1HB ALA 111 -5.313 12.859 2.074 876 2HB ALA 111 2HB ALA 111 -4.299 11.602 1.548 877 3HB ALA 111 3HB ALA 111 -3.794 13.317 1.513 878 H THR 112 H THR 112 -3.734 15.001 -0.459 879 HA THR 112 HA THR 112 -5.739 17.166 -0.137 880 HB THR 112 HB THR 112 -3.027 17.106 -1.279 881 HG1 THR 112 1HG THR 112 -2.361 17.388 0.678 882 1HG2 THR 112 1HG2 THR 112 -4.092 19.056 -1.953 883 2HG2 THR 112 2HG2 THR 112 -4.804 19.501 -0.397 884 3HG2 THR 112 3HG2 THR 112 -3.097 19.575 -0.639 885 H ALA 113 H ALA 113 -4.216 15.882 -3.151 886 HA ALA 113 HA ALA 113 -6.057 17.129 -5.089 887 1HB ALA 113 1HB ALA 113 -4.582 14.466 -5.331 888 2HB ALA 113 2HB ALA 113 -5.133 15.518 -6.654 889 3HB ALA 113 3HB ALA 113 -3.778 16.064 -5.684 890 HXT ALA 113 HO ALA 113 -8.665 15.054 -5.553 Start of MODEL 18 1 1H ALA 1 1H ALA 1 -12.730 9.703 16.670 2 2H ALA 1 2H ALA 1 -14.094 8.795 16.790 3 HA ALA 1 HA ALA 1 -11.315 7.753 16.847 4 1HB ALA 1 1HB ALA 1 -12.437 5.539 17.150 5 2HB ALA 1 2HB ALA 1 -13.051 6.644 18.380 6 3HB ALA 1 3HB ALA 1 -14.068 6.297 16.954 7 H GLU 2 H GLU 2 -10.709 8.629 14.897 8 HA GLU 2 HA GLU 2 -11.848 7.379 12.435 9 1HB GLU 2 1HB GLU 2 -13.146 9.701 13.008 10 2HB GLU 2 2HB GLU 2 -11.612 10.428 12.442 11 1HG GLU 2 1HG GLU 2 -11.880 9.087 10.240 12 2HG GLU 2 2HG GLU 2 -13.365 8.548 10.793 13 HE2 GLU 2 HE GLU 2 -13.106 12.376 9.612 14 H GLU 3 H GLU 3 -10.222 6.635 11.475 15 HA GLU 3 HA GLU 3 -7.701 8.006 10.831 16 1HB GLU 3 1HB GLU 3 -6.044 6.824 12.125 17 2HB GLU 3 2HB GLU 3 -7.191 7.517 13.259 18 1HG GLU 3 1HG GLU 3 -8.253 5.292 13.650 19 2HG GLU 3 2HG GLU 3 -7.272 4.506 12.501 20 HE2 GLU 3 HE GLU 3 -5.518 3.688 15.362 21 H GLY 4 H GLY 4 -6.210 6.749 9.912 22 1HA GLY 4 1HA GLY 4 -6.917 4.618 7.870 23 2HA GLY 4 2HA GLY 4 -5.323 5.205 8.215 24 H GLN 5 H GLN 5 -6.126 2.464 7.786 25 HA GLN 5 HA GLN 5 -5.044 1.275 10.330 26 1HB GLN 5 1HB GLN 5 -6.944 -0.183 10.568 27 2HB GLN 5 2HB GLN 5 -7.529 1.461 10.501 28 1HG GLN 5 1HG GLN 5 -7.985 1.001 8.064 29 2HG GLN 5 2HG GLN 5 -7.933 -0.610 8.389 30 1HE2 GLN 5 1HE2 GLN 5 -10.088 1.968 8.467 31 2HE2 GLN 5 2HE2 GLN 5 -11.350 1.310 9.535 32 H VAL 6 H VAL 6 -3.585 0.058 9.788 33 HA VAL 6 HA VAL 6 -2.954 -1.008 7.067 34 HB VAL 6 HB VAL 6 -1.262 -1.199 9.635 35 1HG1 VAL 6 1HG1 VAL 6 0.609 -1.710 8.085 36 2HG1 VAL 6 2HG1 VAL 6 -0.579 -2.940 8.035 37 3HG1 VAL 6 3HG1 VAL 6 -0.481 -1.804 6.703 38 1HG2 VAL 6 1HG2 VAL 6 -1.136 0.940 7.355 39 2HG2 VAL 6 2HG2 VAL 6 -1.448 1.209 9.113 40 3HG2 VAL 6 3HG2 VAL 6 0.115 0.697 8.615 41 H ILE 7 H ILE 7 -3.255 -3.144 6.504 42 HA ILE 7 HA ILE 7 -3.933 -5.379 8.410 43 HB ILE 7 HB ILE 7 -5.796 -4.057 7.297 44 1HG1 ILE 7 1HG1 ILE 7 -6.213 -5.808 8.806 45 2HG1 ILE 7 2HG1 ILE 7 -7.308 -5.902 7.291 46 1HG2 ILE 7 1HG2 ILE 7 -6.871 -4.762 5.233 47 2HG2 ILE 7 2HG2 ILE 7 -5.177 -4.173 4.975 48 3HG2 ILE 7 3HG2 ILE 7 -5.422 -5.925 4.972 49 1HD1 ILE 7 1HD1 ILE 7 -5.031 -7.737 8.033 50 2HD1 ILE 7 2HD1 ILE 7 -6.772 -7.997 8.153 51 3HD1 ILE 7 3HD1 ILE 7 -5.923 -7.806 6.558 52 H ALA 8 H ALA 8 -2.833 -7.077 8.223 53 HA ALA 8 HA ALA 8 -0.975 -7.786 6.172 54 1HB ALA 8 1HB ALA 8 -1.105 -10.155 7.294 55 2HB ALA 8 2HB ALA 8 -0.694 -8.741 8.303 56 3HB ALA 8 3HB ALA 8 -2.378 -9.462 8.314 57 H CYS 9 H CYS 9 -0.929 -8.865 4.596 58 HA CYS 9 HA CYS 9 -3.344 -10.194 3.312 59 1HB CYS 9 1HB CYS 9 -1.675 -7.988 2.209 60 2HB CYS 9 2HB CYS 9 -2.623 -9.016 1.128 61 HG CYS 9 HG CYS 9 -5.001 -8.465 2.723 62 H HIS 10 H HIS 10 -2.918 -11.824 1.935 63 HA HIS 10 HA HIS 10 -0.248 -13.130 2.289 64 1HB HIS 10 1HB HIS 10 -2.863 -14.009 3.639 65 2HB HIS 10 2HB HIS 10 -1.528 -15.033 3.466 66 HD1 HIS 10 1HD HIS 10 -2.594 -13.889 6.358 67 HD2 HIS 10 2HD HIS 10 0.978 -12.986 4.301 68 HE1 HIS 10 1HE HIS 10 -0.674 -13.333 7.988 69 H THR 11 H THR 11 -3.415 -13.625 0.942 70 HA THR 11 HA THR 11 -2.373 -15.372 -1.256 71 HB THR 11 HB THR 11 -4.235 -17.045 -0.917 72 HG1 THR 11 1HG THR 11 -5.168 -16.827 1.314 73 1HG2 THR 11 1HG2 THR 11 -3.280 -18.263 1.004 74 2HG2 THR 11 2HG2 THR 11 -2.083 -17.589 -0.143 75 3HG2 THR 11 3HG2 THR 11 -2.408 -16.806 1.504 76 H VAL 12 H VAL 12 -4.619 -16.122 -2.500 77 HA VAL 12 HA VAL 12 -5.417 -13.969 -3.970 78 HB VAL 12 HB VAL 12 -5.709 -16.413 -4.727 79 1HG1 VAL 12 1HG1 VAL 12 -8.276 -16.838 -3.047 80 2HG1 VAL 12 2HG1 VAL 12 -7.411 -17.908 -3.962 81 3HG1 VAL 12 3HG1 VAL 12 -6.697 -17.404 -2.352 82 1HG2 VAL 12 1HG2 VAL 12 -8.375 -14.872 -4.795 83 2HG2 VAL 12 2HG2 VAL 12 -7.184 -14.823 -6.014 84 3HG2 VAL 12 3HG2 VAL 12 -7.915 -16.400 -5.792 85 H ASP 13 H ASP 13 -6.485 -14.725 -0.772 86 HA ASP 13 HA ASP 13 -9.088 -13.491 -0.468 87 1HB ASP 13 1HB ASP 13 -6.614 -13.761 1.451 88 2HB ASP 13 2HB ASP 13 -8.090 -12.963 2.005 89 HD2 ASP 13 HD ASP 13 -7.279 -15.990 0.391 90 H THR 14 H THR 14 -5.925 -12.140 -0.551 91 HA THR 14 HA THR 14 -6.689 -9.320 -0.332 92 HB THR 14 HB THR 14 -4.422 -10.207 0.181 93 HG1 THR 14 1HG THR 14 -3.696 -8.091 0.299 94 1HG2 THR 14 1HG2 THR 14 -3.753 -9.031 -2.566 95 2HG2 THR 14 2HG2 THR 14 -2.607 -9.694 -1.398 96 3HG2 THR 14 3HG2 THR 14 -3.833 -10.753 -2.360 97 H TRP 15 H TRP 15 -6.493 -11.357 -3.016 98 HA TRP 15 HA TRP 15 -7.002 -9.385 -5.101 99 1HB TRP 15 1HB TRP 15 -7.552 -12.348 -5.209 100 2HB TRP 15 2HB TRP 15 -8.479 -11.316 -6.338 101 HD1 TRP 15 HD TRP 15 -4.928 -12.434 -5.826 102 HE1 TRP 15 1HE TRP 15 -3.500 -11.899 -7.847 103 HE3 TRP 15 3HE TRP 15 -8.358 -9.579 -8.038 104 HZ2 TRP 15 2HZ TRP 15 -4.078 -10.437 -10.396 105 HZ3 TRP 15 3HZ TRP 15 -7.926 -8.607 -10.225 106 HH2 TRP 15 HH TRP 15 -5.801 -8.833 -11.366 107 H LYS 16 H LYS 16 -9.079 -11.068 -3.030 108 HA LYS 16 HA LYS 16 -11.488 -9.559 -3.712 109 1HB LYS 16 1HB LYS 16 -11.026 -10.773 -0.983 110 2HB LYS 16 2HB LYS 16 -12.463 -10.202 -1.562 111 1HG LYS 16 1HG LYS 16 -12.419 -11.944 -3.473 112 2HG LYS 16 2HG LYS 16 -11.014 -12.731 -2.647 113 1HD LYS 16 1HD LYS 16 -13.853 -12.559 -1.530 114 2HD LYS 16 2HD LYS 16 -13.083 -13.908 -2.085 115 1HE LYS 16 1HE LYS 16 -11.248 -13.667 -0.344 116 2HE LYS 16 2HE LYS 16 -12.197 -12.278 0.392 117 1HZ LYS 16 1HZ LYS 16 -12.479 -14.589 1.307 118 2HZ LYS 16 2HZ LYS 16 -13.903 -13.895 0.872 119 H GLU 17 H GLU 17 -9.252 -9.258 -0.696 120 HA GLU 17 HA GLU 17 -10.508 -6.847 0.389 121 1HB GLU 17 1HB GLU 17 -7.544 -7.655 0.729 122 2HB GLU 17 2HB GLU 17 -8.287 -6.331 1.522 123 1HG GLU 17 1HG GLU 17 -9.574 -7.736 2.888 124 2HG GLU 17 2HG GLU 17 -9.512 -9.136 1.752 125 HE2 GLU 17 HE GLU 17 -6.775 -8.588 4.551 126 H HIS 18 H HIS 18 -7.898 -6.747 -1.606 127 HA HIS 18 HA HIS 18 -7.397 -3.831 -1.916 128 1HB HIS 18 1HB HIS 18 -5.562 -5.386 -2.238 129 2HB HIS 18 2HB HIS 18 -6.335 -6.099 -3.592 130 HD1 HIS 18 1HD HIS 18 -6.560 -4.644 -5.804 131 HD2 HIS 18 2HD HIS 18 -3.725 -3.500 -2.885 132 HE1 HIS 18 1HE HIS 18 -4.786 -2.857 -6.788 133 H PHE 19 H PHE 19 -8.828 -5.990 -3.988 134 HA PHE 19 HA PHE 19 -9.436 -4.112 -6.118 135 1HB PHE 19 1HB PHE 19 -9.180 -6.589 -6.648 136 2HB PHE 19 2HB PHE 19 -10.681 -6.878 -6.021 137 HD1 PHE 19 1HD PHE 19 -12.674 -6.079 -7.122 138 HD2 PHE 19 2HD PHE 19 -8.836 -5.336 -8.895 139 HE1 PHE 19 1HE PHE 19 -13.781 -5.692 -9.283 140 HE2 PHE 19 2HE PHE 19 -9.925 -4.840 -11.068 141 HZ PHE 19 HZ PHE 19 -12.351 -5.107 -11.314 142 H GLU 20 H GLU 20 -11.841 -5.950 -4.059 143 HA GLU 20 HA GLU 20 -14.181 -4.405 -4.251 144 1HB GLU 20 1HB GLU 20 -13.195 -5.807 -1.673 145 2HB GLU 20 2HB GLU 20 -14.798 -5.216 -1.956 146 1HG GLU 20 1HG GLU 20 -13.553 -7.327 -3.850 147 2HG GLU 20 2HG GLU 20 -14.483 -7.763 -2.395 148 HE2 GLU 20 HE GLU 20 -17.572 -7.366 -3.522 149 H LYS 21 H LYS 21 -11.845 -3.631 -1.590 150 HA LYS 21 HA LYS 21 -13.024 -1.107 -0.856 151 1HB LYS 21 1HB LYS 21 -10.238 -2.196 -0.761 152 2HB LYS 21 2HB LYS 21 -10.575 -0.699 0.016 153 1HG LYS 21 1HG LYS 21 -12.213 -3.261 0.725 154 2HG LYS 21 2HG LYS 21 -10.669 -2.844 1.444 155 1HD LYS 21 1HD LYS 21 -11.560 -0.630 2.233 156 2HD LYS 21 2HD LYS 21 -13.111 -0.969 1.522 157 1HE LYS 21 1HE LYS 21 -13.359 -1.445 3.884 158 2HE LYS 21 2HE LYS 21 -13.231 -2.989 3.117 159 1HZ LYS 21 1HZ LYS 21 -11.019 -3.176 4.068 160 2HZ LYS 21 2HZ LYS 21 -10.935 -1.571 4.178 161 H GLY 22 H GLY 22 -10.325 -1.317 -3.230 162 1HA GLY 22 1HA GLY 22 -10.111 1.396 -4.102 163 2HA GLY 22 2HA GLY 22 -9.653 -0.041 -5.031 164 H LYS 23 H LYS 23 -11.411 -0.861 -6.298 165 HA LYS 23 HA LYS 23 -13.493 0.926 -7.277 166 1HB LYS 23 1HB LYS 23 -12.275 -0.498 -8.940 167 2HB LYS 23 2HB LYS 23 -12.889 -1.940 -8.169 168 1HG LYS 23 1HG LYS 23 -15.291 -0.176 -8.702 169 2HG LYS 23 2HG LYS 23 -14.238 0.081 -10.011 170 1HD LYS 23 1HD LYS 23 -15.047 -2.712 -9.235 171 2HD LYS 23 2HD LYS 23 -15.995 -1.712 -10.302 172 1HE LYS 23 1HE LYS 23 -13.060 -2.269 -10.980 173 2HE LYS 23 2HE LYS 23 -14.360 -3.300 -11.448 174 1HZ LYS 23 1HZ LYS 23 -14.432 -1.873 -13.195 175 2HZ LYS 23 2HZ LYS 23 -15.537 -1.121 -12.307 176 H GLY 24 H GLY 24 -14.706 1.183 -5.711 177 1HA GLY 24 1HA GLY 24 -17.054 -0.231 -5.393 178 2HA GLY 24 2HA GLY 24 -16.070 -0.970 -4.104 179 H SER 25 H SER 25 -14.779 1.384 -3.494 180 HA SER 25 HA SER 25 -16.844 2.704 -1.642 181 1HB SER 25 1HB SER 25 -13.960 1.606 -0.903 182 2HB SER 25 2HB SER 25 -14.839 2.754 0.014 183 HG SER 25 HG SER 25 -15.788 0.159 -0.833 184 H GLN 26 H GLN 26 -16.625 4.723 -1.852 185 HA GLN 26 HA GLN 26 -14.688 6.308 -3.403 186 1HB GLN 26 1HB GLN 26 -17.107 7.186 -1.723 187 2HB GLN 26 2HB GLN 26 -15.938 8.338 -2.111 188 1HG GLN 26 1HG GLN 26 -17.642 8.547 -3.679 189 2HG GLN 26 2HG GLN 26 -16.195 7.820 -4.572 190 1HE2 GLN 26 1HE2 GLN 26 -16.478 5.863 -5.498 191 2HE2 GLN 26 2HE2 GLN 26 -18.126 5.066 -5.798 192 H LYS 27 H LYS 27 -12.825 5.548 -2.623 193 HA LYS 27 HA LYS 27 -11.530 7.374 -0.575 194 1HB LYS 27 1HB LYS 27 -10.801 5.703 0.788 195 2HB LYS 27 2HB LYS 27 -12.481 5.831 0.847 196 1HG LYS 27 1HG LYS 27 -12.357 3.545 -0.628 197 2HG LYS 27 2HG LYS 27 -10.694 3.590 -0.525 198 1HD LYS 27 1HD LYS 27 -11.557 2.008 1.248 199 2HD LYS 27 2HD LYS 27 -10.612 3.191 1.935 200 1HE LYS 27 1HE LYS 27 -12.596 4.563 2.711 201 2HE LYS 27 2HE LYS 27 -13.735 3.653 1.913 202 1HZ LYS 27 1HZ LYS 27 -13.781 3.025 4.063 203 2HZ LYS 27 2HZ LYS 27 -13.094 1.725 3.308 204 H LEU 28 H LEU 28 -9.360 7.116 -0.510 205 HA LEU 28 HA LEU 28 -7.751 5.904 -2.779 206 1HB LEU 28 1HB LEU 28 -7.204 8.066 -1.517 207 2HB LEU 28 2HB LEU 28 -6.663 7.041 -0.197 208 HG LEU 28 HG LEU 28 -5.021 5.987 -1.638 209 1HD1 LEU 28 1HD1 LEU 28 -4.187 7.032 -3.739 210 2HD1 LEU 28 2HD1 LEU 28 -5.838 6.410 -4.012 211 3HD1 LEU 28 3HD1 LEU 28 -5.566 8.162 -3.848 212 1HD2 LEU 28 1HD2 LEU 28 -4.212 7.680 -0.124 213 2HD2 LEU 28 2HD2 LEU 28 -3.311 7.757 -1.654 214 3HD2 LEU 28 3HD2 LEU 28 -4.462 8.951 -1.353 215 H ILE 29 H ILE 29 -6.521 3.973 -2.441 216 HA ILE 29 HA ILE 29 -6.111 2.714 0.153 217 HB ILE 29 HB ILE 29 -6.690 0.577 -0.407 218 1HG1 ILE 29 1HG1 ILE 29 -7.455 0.905 -3.407 219 2HG1 ILE 29 2HG1 ILE 29 -5.672 0.405 -2.932 220 1HG2 ILE 29 1HG2 ILE 29 -8.986 0.509 -0.788 221 2HG2 ILE 29 2HG2 ILE 29 -8.893 2.082 -0.153 222 3HG2 ILE 29 3HG2 ILE 29 -9.075 1.995 -1.902 223 1HD1 ILE 29 1HD1 ILE 29 -6.987 -1.533 -3.291 224 2HD1 ILE 29 2HD1 ILE 29 -6.661 -1.465 -1.547 225 3HD1 ILE 29 3HD1 ILE 29 -8.238 -1.009 -2.169 226 H VAL 30 H VAL 30 -4.125 2.223 0.329 227 HA VAL 30 HA VAL 30 -1.998 2.452 -1.672 228 HB VAL 30 HB VAL 30 -2.071 3.588 1.038 229 1HG1 VAL 30 1HG1 VAL 30 0.008 4.227 -0.941 230 2HG1 VAL 30 2HG1 VAL 30 0.050 4.567 0.714 231 3HG1 VAL 30 3HG1 VAL 30 0.377 2.852 0.119 232 1HG2 VAL 30 1HG2 VAL 30 -1.823 5.823 -0.012 233 2HG2 VAL 30 2HG2 VAL 30 -2.468 5.065 -1.544 234 3HG2 VAL 30 3HG2 VAL 30 -3.489 5.062 -0.097 235 H VAL 31 H VAL 31 -0.392 0.952 -1.531 236 HA VAL 31 HA VAL 31 -0.415 -1.240 0.538 237 HB VAL 31 HB VAL 31 -2.120 -1.917 -0.848 238 1HG1 VAL 31 1HG1 VAL 31 -2.160 -0.938 -2.890 239 2HG1 VAL 31 2HG1 VAL 31 -0.353 -1.198 -3.105 240 3HG1 VAL 31 3HG1 VAL 31 -1.558 -2.535 -3.258 241 1HG2 VAL 31 1HG2 VAL 31 -1.443 -4.088 -1.785 242 2HG2 VAL 31 2HG2 VAL 31 0.250 -3.625 -1.329 243 3HG2 VAL 31 3HG2 VAL 31 -1.063 -3.784 -0.013 244 H ASP 32 H ASP 32 1.274 -1.631 1.165 245 HA ASP 32 HA ASP 32 3.977 -1.288 -0.134 246 1HB ASP 32 1HB ASP 32 3.643 -1.122 2.538 247 2HB ASP 32 2HB ASP 32 3.904 -2.813 2.461 248 HD2 ASP 32 HD ASP 32 7.107 -1.144 0.805 249 H PHE 33 H PHE 33 5.056 -2.880 -1.096 250 HA PHE 33 HA PHE 33 4.297 -5.762 -1.080 251 1HB PHE 33 1HB PHE 33 5.439 -4.065 -3.310 252 2HB PHE 33 2HB PHE 33 5.373 -5.743 -3.373 253 HD1 PHE 33 1HD PHE 33 3.049 -6.926 -3.105 254 HD2 PHE 33 2HD PHE 33 3.340 -2.645 -3.697 255 HE1 PHE 33 1HE PHE 33 0.731 -6.849 -3.883 256 HE2 PHE 33 2HE PHE 33 0.804 -2.570 -4.022 257 HZ PHE 33 HZ PHE 33 -0.345 -4.674 -4.430 258 H THR 34 H THR 34 5.962 -6.759 0.033 259 HA THR 34 HA THR 34 8.699 -5.794 0.259 260 HB THR 34 HB THR 34 7.839 -4.125 2.071 261 HG1 THR 34 1HG THR 34 8.724 -6.346 3.454 262 1HG2 THR 34 1HG2 THR 34 5.575 -5.003 2.506 263 2HG2 THR 34 2HG2 THR 34 6.467 -6.421 3.380 264 3HG2 THR 34 3HG2 THR 34 6.545 -4.809 3.985 265 H ALA 35 H ALA 35 9.876 -7.402 0.946 266 HA ALA 35 HA ALA 35 8.887 -10.173 1.591 267 1HB ALA 35 1HB ALA 35 10.525 -9.533 -0.114 268 2HB ALA 35 2HB ALA 35 11.581 -8.732 1.063 269 3HB ALA 35 3HB ALA 35 11.442 -10.484 1.164 270 H SER 36 H SER 36 9.342 -11.205 3.383 271 HA SER 36 HA SER 36 9.729 -10.056 6.097 272 1HB SER 36 1HB SER 36 8.775 -12.266 5.902 273 2HB SER 36 2HB SER 36 10.011 -12.929 4.921 274 HG SER 36 HG SER 36 11.306 -12.503 7.088 275 H TRP 37 H TRP 37 12.119 -11.048 3.772 276 HA TRP 37 HA TRP 37 14.541 -10.135 5.344 277 1HB TRP 37 1HB TRP 37 15.868 -11.036 3.604 278 2HB TRP 37 2HB TRP 37 14.922 -12.169 4.291 279 HD1 TRP 37 HD TRP 37 12.845 -13.508 2.817 280 HE1 TRP 37 1HE TRP 37 12.129 -13.418 0.307 281 HE3 TRP 37 3HE TRP 37 16.190 -9.951 1.258 282 HZ2 TRP 37 2HZ TRP 37 13.473 -12.556 -2.083 283 HZ3 TRP 37 3HZ TRP 37 16.512 -9.639 -1.266 284 HH2 TRP 37 HH TRP 37 15.155 -11.121 -2.793 285 H CYS 38 H CYS 38 13.706 -8.102 5.656 286 HA CYS 38 HA CYS 38 14.694 -6.114 3.737 287 1HB CYS 38 1HB CYS 38 12.476 -6.535 2.568 288 2HB CYS 38 2HB CYS 38 11.537 -6.171 3.984 289 HG CYS 38 HG CYS 38 13.634 -4.006 2.464 290 HA PRO 39 HA PRO 39 15.027 -4.232 8.033 291 1HB PRO 39 1HB PRO 39 17.502 -3.166 6.484 292 2HB PRO 39 2HB PRO 39 17.252 -3.575 8.129 293 1HG PRO 39 1HG PRO 39 18.506 -5.221 6.494 294 2HG PRO 39 2HG PRO 39 17.395 -5.982 7.682 295 1HD PRO 39 1HD PRO 39 16.757 -5.503 4.761 296 2HD PRO 39 2HD PRO 39 16.238 -6.885 5.714 297 HA PRO 40 HA PRO 40 14.653 0.203 5.367 298 1HB PRO 40 1HB PRO 40 13.604 -1.114 2.695 299 2HB PRO 40 2HB PRO 40 14.463 0.377 2.934 300 1HG PRO 40 1HG PRO 40 15.789 -1.825 2.110 301 2HG PRO 40 2HG PRO 40 16.504 -0.784 3.327 302 1HD PRO 40 1HD PRO 40 15.223 -3.365 3.793 303 2HD PRO 40 2HD PRO 40 16.709 -2.725 4.469 304 H CYS 41 H CYS 41 12.592 -2.528 4.639 305 HA CYS 41 HA CYS 41 10.112 -0.986 5.209 306 1HB CYS 41 1HB CYS 41 9.908 -3.909 4.707 307 2HB CYS 41 2HB CYS 41 8.513 -2.801 4.874 308 HG CYS 41 HG CYS 41 8.557 -1.995 2.658 309 H LYS 42 H LYS 42 12.057 -3.148 7.093 310 HA LYS 42 HA LYS 42 10.130 -3.583 9.226 311 1HB LYS 42 1HB LYS 42 12.583 -4.456 8.730 312 2HB LYS 42 2HB LYS 42 13.151 -3.007 9.523 313 1HG LYS 42 1HG LYS 42 11.970 -3.787 11.616 314 2HG LYS 42 2HG LYS 42 11.303 -5.214 10.697 315 1HD LYS 42 1HD LYS 42 13.576 -6.175 10.327 316 2HD LYS 42 2HD LYS 42 14.354 -4.871 11.249 317 1HE LYS 42 1HE LYS 42 12.963 -5.578 13.269 318 2HE LYS 42 2HE LYS 42 12.356 -7.015 12.304 319 1HZ LYS 42 1HZ LYS 42 14.794 -7.505 11.981 320 2HZ LYS 42 2HZ LYS 42 15.151 -6.294 12.978 321 H MET 43 H MET 43 12.465 -0.936 8.731 322 HA MET 43 HA MET 43 11.323 0.782 10.913 323 1HB MET 43 1HB MET 43 12.531 2.706 9.684 324 2HB MET 43 2HB MET 43 13.587 1.295 10.301 325 1HG MET 43 1HG MET 43 13.910 0.658 7.931 326 2HG MET 43 2HG MET 43 12.623 1.891 7.352 327 1HE MET 43 1HE MET 43 14.866 5.015 7.348 328 2HE MET 43 2HE MET 43 13.372 4.205 6.767 329 3HE MET 43 3HE MET 43 13.557 4.740 8.490 330 H ILE 44 H ILE 44 10.685 0.756 7.404 331 HA ILE 44 HA ILE 44 8.433 2.440 7.448 332 HB ILE 44 HB ILE 44 9.786 1.234 5.256 333 1HG1 ILE 44 1HG1 ILE 44 8.295 2.983 3.946 334 2HG1 ILE 44 2HG1 ILE 44 7.548 3.154 5.561 335 1HG2 ILE 44 1HG2 ILE 44 6.966 0.677 4.429 336 2HG2 ILE 44 2HG2 ILE 44 8.511 0.130 3.868 337 3HG2 ILE 44 3HG2 ILE 44 7.847 -0.542 5.348 338 1HD1 ILE 44 1HD1 ILE 44 10.552 3.556 5.204 339 2HD1 ILE 44 2HD1 ILE 44 9.372 4.710 4.564 340 3HD1 ILE 44 3HD1 ILE 44 9.415 4.412 6.348 341 H ALA 45 H ALA 45 8.127 -0.560 8.780 342 HA ALA 45 HA ALA 45 5.173 -0.726 8.491 343 1HB ALA 45 1HB ALA 45 7.319 -2.152 10.186 344 2HB ALA 45 2HB ALA 45 5.644 -2.261 10.731 345 3HB ALA 45 3HB ALA 45 6.139 -2.743 9.070 346 HA PRO 46 HA PRO 46 5.105 2.059 12.569 347 1HB PRO 46 1HB PRO 46 7.984 2.975 12.393 348 2HB PRO 46 2HB PRO 46 7.133 2.852 13.886 349 1HG PRO 46 1HG PRO 46 9.055 1.088 13.007 350 2HG PRO 46 2HG PRO 46 7.728 0.611 14.047 351 1HD PRO 46 1HD PRO 46 8.202 -0.116 11.238 352 2HD PRO 46 2HD PRO 46 7.108 -0.848 12.413 353 H ILE 47 H ILE 47 7.349 3.192 10.111 354 HA ILE 47 HA ILE 47 6.112 5.857 9.859 355 HB ILE 47 HB ILE 47 7.525 4.584 7.509 356 1HG1 ILE 47 1HG1 ILE 47 9.061 4.786 9.474 357 2HG1 ILE 47 2HG1 ILE 47 9.564 5.834 8.163 358 1HG2 ILE 47 1HG2 ILE 47 6.302 6.607 6.655 359 2HG2 ILE 47 2HG2 ILE 47 7.125 7.610 7.752 360 3HG2 ILE 47 3HG2 ILE 47 8.089 6.721 6.615 361 1HD1 ILE 47 1HD1 ILE 47 9.772 6.830 10.608 362 2HD1 ILE 47 2HD1 ILE 47 8.599 7.716 9.647 363 3HD1 ILE 47 3HD1 ILE 47 8.081 6.501 10.886 364 H PHE 48 H PHE 48 5.413 3.010 7.988 365 HA PHE 48 HA PHE 48 3.167 4.120 6.413 366 1HB PHE 48 1HB PHE 48 4.364 2.103 5.840 367 2HB PHE 48 2HB PHE 48 3.628 1.180 7.200 368 HD1 PHE 48 1HD PHE 48 1.661 -0.121 6.632 369 HD2 PHE 48 2HD PHE 48 2.744 3.228 4.122 370 HE1 PHE 48 1HE PHE 48 0.585 -1.129 4.671 371 HE2 PHE 48 2HE PHE 48 1.584 2.346 2.348 372 HZ PHE 48 HZ PHE 48 0.298 0.123 2.515 373 H ALA 49 H ALA 49 3.187 2.578 9.644 374 HA ALA 49 HA ALA 49 0.301 2.964 10.356 375 1HB ALA 49 1HB ALA 49 1.606 1.227 11.224 376 2HB ALA 49 2HB ALA 49 2.735 2.346 12.039 377 3HB ALA 49 3HB ALA 49 1.020 2.273 12.530 378 H GLU 50 H GLU 50 3.108 5.204 11.173 379 HA GLU 50 HA GLU 50 1.529 7.047 12.636 380 1HB GLU 50 1HB GLU 50 3.757 6.687 13.030 381 2HB GLU 50 2HB GLU 50 4.276 7.045 11.332 382 1HG GLU 50 1HG GLU 50 3.695 9.431 11.607 383 2HG GLU 50 2HG GLU 50 3.052 9.041 13.226 384 HE2 GLU 50 HE GLU 50 6.003 8.544 14.834 385 H LEU 51 H LEU 51 2.872 7.547 9.383 386 HA LEU 51 HA LEU 51 1.243 9.336 8.243 387 1HB LEU 51 1HB LEU 51 2.978 8.048 7.101 388 2HB LEU 51 2HB LEU 51 1.965 6.675 7.210 389 HG LEU 51 HG LEU 51 2.458 8.154 5.082 390 1HD1 LEU 51 1HD1 LEU 51 0.529 6.997 3.910 391 2HD1 LEU 51 2HD1 LEU 51 1.687 5.998 4.861 392 3HD1 LEU 51 3HD1 LEU 51 0.135 6.286 5.518 393 1HD2 LEU 51 1HD2 LEU 51 0.997 10.163 6.087 394 2HD2 LEU 51 2HD2 LEU 51 0.610 9.627 4.429 395 3HD2 LEU 51 3HD2 LEU 51 -0.378 9.120 5.707 396 H ALA 52 H ALA 52 0.182 5.911 8.587 397 HA ALA 52 HA ALA 52 -2.663 6.183 7.743 398 1HB ALA 52 1HB ALA 52 -1.657 3.920 8.006 399 2HB ALA 52 2HB ALA 52 -1.621 4.113 9.804 400 3HB ALA 52 3HB ALA 52 -3.141 4.101 8.874 401 H LYS 53 H LYS 53 -1.343 6.706 10.818 402 HA LYS 53 HA LYS 53 -3.960 7.396 12.150 403 1HB LYS 53 1HB LYS 53 -1.055 7.926 12.968 404 2HB LYS 53 2HB LYS 53 -2.326 8.277 14.118 405 1HG LYS 53 1HG LYS 53 -3.065 5.958 14.346 406 2HG LYS 53 2HG LYS 53 -1.916 5.402 12.992 407 1HD LYS 53 1HD LYS 53 0.079 6.134 14.259 408 2HD LYS 53 2HD LYS 53 -0.975 6.339 15.712 409 1HE LYS 53 1HE LYS 53 -1.788 3.982 15.315 410 2HE LYS 53 2HE LYS 53 -0.609 3.729 14.037 411 1HZ LYS 53 1HZ LYS 53 0.202 4.556 16.810 412 2HZ LYS 53 2HZ LYS 53 0.232 3.003 16.305 413 H LYS 54 H LYS 54 -1.614 9.222 10.412 414 HA LYS 54 HA LYS 54 -2.553 11.880 11.153 415 1HB LYS 54 1HB LYS 54 -0.169 11.399 10.561 416 2HB LYS 54 2HB LYS 54 -0.530 11.002 8.965 417 1HG LYS 54 1HG LYS 54 -1.396 13.343 8.602 418 2HG LYS 54 2HG LYS 54 -0.840 13.718 10.301 419 1HD LYS 54 1HD LYS 54 0.877 12.668 7.778 420 2HD LYS 54 2HD LYS 54 0.766 14.364 8.261 421 1HE LYS 54 1HE LYS 54 1.855 13.703 10.510 422 2HE LYS 54 2HE LYS 54 1.929 12.159 9.959 423 1HZ LYS 54 1HZ LYS 54 3.921 13.778 9.614 424 2HZ LYS 54 2HZ LYS 54 3.575 12.829 8.398 425 H PHE 55 H PHE 55 -3.328 9.561 8.655 426 HA PHE 55 HA PHE 55 -5.036 11.492 7.058 427 1HB PHE 55 1HB PHE 55 -2.926 9.408 6.476 428 2HB PHE 55 2HB PHE 55 -4.061 9.457 5.394 429 HD1 PHE 55 1HD PHE 55 -1.169 11.238 6.757 430 HD2 PHE 55 2HD PHE 55 -4.639 11.894 4.277 431 HE1 PHE 55 1HE PHE 55 -0.217 13.271 5.862 432 HE2 PHE 55 2HE PHE 55 -3.568 13.961 3.422 433 HZ PHE 55 HZ PHE 55 -1.324 14.564 4.240 434 HA PRO 56 HA PRO 56 -8.288 8.159 8.105 435 1HB PRO 56 1HB PRO 56 -10.429 9.743 8.458 436 2HB PRO 56 2HB PRO 56 -9.099 9.811 9.669 437 1HG PRO 56 1HG PRO 56 -9.655 11.642 7.323 438 2HG PRO 56 2HG PRO 56 -9.159 11.962 8.961 439 1HD PRO 56 1HD PRO 56 -7.224 11.748 6.855 440 2HD PRO 56 2HD PRO 56 -6.929 11.668 8.609 441 H ASN 57 H ASN 57 -8.069 9.316 5.122 442 HA ASN 57 HA ASN 57 -10.709 8.608 3.811 443 1HB ASN 57 1HB ASN 57 -10.165 10.085 1.964 444 2HB ASN 57 2HB ASN 57 -10.393 10.956 3.430 445 1HD2 ASN 57 2HD2 ASN 57 -8.477 11.976 4.278 446 2HD2 ASN 57 1HD2 ASN 57 -6.839 11.843 3.538 447 H VAL 58 H VAL 58 -8.181 6.971 4.777 448 HA VAL 58 HA VAL 58 -7.576 5.761 2.122 449 HB VAL 58 HB VAL 58 -6.333 7.593 1.881 450 1HG1 VAL 58 1HG1 VAL 58 -4.896 7.498 4.555 451 2HG1 VAL 58 2HG1 VAL 58 -4.800 8.800 3.227 452 3HG1 VAL 58 3HG1 VAL 58 -6.238 8.670 4.186 453 1HG2 VAL 58 1HG2 VAL 58 -5.195 5.689 1.171 454 2HG2 VAL 58 2HG2 VAL 58 -4.031 6.830 1.795 455 3HG2 VAL 58 3HG2 VAL 58 -4.415 5.402 2.755 456 H THR 59 H THR 59 -8.102 3.821 2.490 457 HA THR 59 HA THR 59 -7.335 2.050 4.735 458 HB THR 59 HB THR 59 -7.785 1.319 1.749 459 HG1 THR 59 1HG THR 59 -9.523 1.720 3.937 460 1HG2 THR 59 1HG2 THR 59 -8.286 -0.452 4.214 461 2HG2 THR 59 2HG2 THR 59 -8.475 -0.983 2.573 462 3HG2 THR 59 3HG2 THR 59 -6.850 -0.583 3.090 463 H PHE 60 H PHE 60 -5.610 0.863 4.939 464 HA PHE 60 HA PHE 60 -3.324 0.846 3.041 465 1HB PHE 60 1HB PHE 60 -3.026 0.957 6.101 466 2HB PHE 60 2HB PHE 60 -1.776 0.950 5.012 467 HD1 PHE 60 1HD PHE 60 -1.134 2.780 3.476 468 HD2 PHE 60 2HD PHE 60 -4.378 3.212 6.281 469 HE1 PHE 60 1HE PHE 60 -1.083 5.202 3.243 470 HE2 PHE 60 2HE PHE 60 -4.198 5.665 6.097 471 HZ PHE 60 HZ PHE 60 -2.547 6.624 4.406 472 H LEU 61 H LEU 61 -2.493 -0.883 2.731 473 HA LEU 61 HA LEU 61 -2.816 -3.375 4.306 474 1HB LEU 61 1HB LEU 61 -3.951 -4.702 2.936 475 2HB LEU 61 2HB LEU 61 -4.745 -3.358 2.889 476 HG LEU 61 HG LEU 61 -3.306 -2.956 0.528 477 1HD1 LEU 61 1HD1 LEU 61 -4.063 -5.935 0.757 478 2HD1 LEU 61 2HD1 LEU 61 -3.385 -5.178 -0.720 479 3HD1 LEU 61 3HD1 LEU 61 -2.349 -5.359 0.745 480 1HD2 LEU 61 1HD2 LEU 61 -5.545 -2.498 0.825 481 2HD2 LEU 61 2HD2 LEU 61 -5.472 -3.659 -0.565 482 3HD2 LEU 61 3HD2 LEU 61 -5.970 -4.230 1.103 483 H LYS 62 H LYS 62 -1.454 -5.097 3.540 484 HA LYS 62 HA LYS 62 1.188 -4.303 2.385 485 1HB LYS 62 1HB LYS 62 2.645 -4.959 4.226 486 2HB LYS 62 2HB LYS 62 1.884 -3.483 4.354 487 1HG LYS 62 1HG LYS 62 0.171 -4.865 6.050 488 2HG LYS 62 2HG LYS 62 1.660 -5.922 6.115 489 1HD LYS 62 1HD LYS 62 1.891 -3.063 6.775 490 2HD LYS 62 2HD LYS 62 1.718 -4.275 7.981 491 1HE LYS 62 1HE LYS 62 4.027 -4.278 6.123 492 2HE LYS 62 2HE LYS 62 4.098 -3.319 7.595 493 1HZ LYS 62 1HZ LYS 62 3.807 -5.310 8.793 494 2HZ LYS 62 2HZ LYS 62 5.106 -5.564 7.812 495 H VAL 63 H VAL 63 1.362 -5.879 1.013 496 HA VAL 63 HA VAL 63 0.805 -8.713 1.468 497 HB VAL 63 HB VAL 63 1.795 -6.975 -0.855 498 1HG1 VAL 63 1HG1 VAL 63 0.791 -9.869 -1.246 499 2HG1 VAL 63 2HG1 VAL 63 1.435 -8.802 -2.453 500 3HG1 VAL 63 3HG1 VAL 63 2.516 -9.477 -1.166 501 1HG2 VAL 63 1HG2 VAL 63 -0.855 -8.417 -0.272 502 2HG2 VAL 63 2HG2 VAL 63 -0.637 -6.686 -0.181 503 3HG2 VAL 63 3HG2 VAL 63 -0.638 -7.606 -1.768 504 H ASP 64 H ASP 64 2.156 -9.864 2.469 505 HA ASP 64 HA ASP 64 5.060 -9.958 2.409 506 1HB ASP 64 1HB ASP 64 3.136 -11.407 3.883 507 2HB ASP 64 2HB ASP 64 2.983 -12.349 2.447 508 HD2 ASP 64 HD ASP 64 5.951 -12.555 5.073 509 H VAL 65 H VAL 65 5.717 -9.611 0.435 510 HA VAL 65 HA VAL 65 4.890 -10.972 -2.012 511 HB VAL 65 HB VAL 65 6.311 -8.768 -1.623 512 1HG1 VAL 65 1HG1 VAL 65 8.344 -9.904 -0.654 513 2HG1 VAL 65 2HG1 VAL 65 8.655 -10.748 -2.290 514 3HG1 VAL 65 3HG1 VAL 65 8.759 -9.020 -2.118 515 1HG2 VAL 65 1HG2 VAL 65 6.956 -8.903 -4.174 516 2HG2 VAL 65 2HG2 VAL 65 6.716 -10.505 -3.978 517 3HG2 VAL 65 3HG2 VAL 65 5.279 -9.595 -3.740 518 H ASP 66 H ASP 66 7.045 -12.509 0.405 519 HA ASP 66 HA ASP 66 8.081 -14.535 -1.401 520 1HB ASP 66 1HB ASP 66 7.213 -14.711 1.514 521 2HB ASP 66 2HB ASP 66 8.027 -16.044 0.774 522 HD2 ASP 66 HD ASP 66 10.408 -13.702 2.650 523 H GLU 67 H GLU 67 4.731 -14.472 -0.036 524 HA GLU 67 HA GLU 67 3.869 -16.900 -1.225 525 1HB GLU 67 1HB GLU 67 2.421 -14.507 0.242 526 2HB GLU 67 2HB GLU 67 1.668 -15.988 -0.391 527 1HG GLU 67 1HG GLU 67 3.172 -17.523 1.000 528 2HG GLU 67 2HG GLU 67 3.627 -15.908 1.841 529 HE2 GLU 67 HE GLU 67 -0.008 -17.753 2.310 530 H LEU 68 H LEU 68 4.193 -13.695 -2.328 531 HA LEU 68 HA LEU 68 2.078 -13.774 -4.493 532 1HB LEU 68 1HB LEU 68 2.082 -11.752 -2.202 533 2HB LEU 68 2HB LEU 68 1.143 -11.405 -3.705 534 HG LEU 68 HG LEU 68 0.682 -13.840 -1.865 535 1HD1 LEU 68 1HD1 LEU 68 -1.605 -12.572 -1.554 536 2HD1 LEU 68 2HD1 LEU 68 -0.305 -11.650 -0.989 537 3HD1 LEU 68 3HD1 LEU 68 -0.960 -11.189 -2.592 538 1HD2 LEU 68 1HD2 LEU 68 -1.284 -14.533 -3.116 539 2HD2 LEU 68 2HD2 LEU 68 -1.030 -13.272 -4.380 540 3HD2 LEU 68 3HD2 LEU 68 0.179 -14.616 -4.027 541 H LYS 69 H LYS 69 4.736 -13.867 -4.629 542 HA LYS 69 HA LYS 69 5.909 -11.623 -6.123 543 1HB LYS 69 1HB LYS 69 7.552 -12.942 -7.062 544 2HB LYS 69 2HB LYS 69 7.399 -13.504 -5.459 545 1HG LYS 69 1HG LYS 69 5.593 -15.198 -6.578 546 2HG LYS 69 2HG LYS 69 6.356 -14.759 -8.048 547 1HD LYS 69 1HD LYS 69 7.413 -16.842 -7.200 548 2HD LYS 69 2HD LYS 69 8.548 -15.518 -7.003 549 1HE LYS 69 1HE LYS 69 8.130 -15.321 -4.610 550 2HE LYS 69 2HE LYS 69 6.690 -16.211 -4.742 551 1HZ LYS 69 1HZ LYS 69 7.901 -18.239 -5.027 552 2HZ LYS 69 2HZ LYS 69 9.102 -17.499 -5.688 553 H ALA 70 H ALA 70 3.632 -13.813 -7.668 554 HA ALA 70 HA ALA 70 4.070 -12.789 -10.349 555 1HB ALA 70 1HB ALA 70 2.493 -14.202 -11.060 556 2HB ALA 70 2HB ALA 70 3.120 -15.259 -9.656 557 3HB ALA 70 3HB ALA 70 1.636 -14.346 -9.505 558 H VAL 71 H VAL 71 1.535 -12.385 -7.900 559 HA VAL 71 HA VAL 71 -0.025 -10.503 -9.447 560 HB VAL 71 HB VAL 71 -1.155 -11.983 -7.855 561 1HG1 VAL 71 1HG1 VAL 71 -1.462 -11.373 -5.579 562 2HG1 VAL 71 2HG1 VAL 71 0.264 -11.695 -5.860 563 3HG1 VAL 71 3HG1 VAL 71 -0.300 -10.103 -5.763 564 1HG2 VAL 71 1HG2 VAL 71 -2.387 -9.951 -8.875 565 2HG2 VAL 71 2HG2 VAL 71 -2.651 -9.724 -7.166 566 3HG2 VAL 71 3HG2 VAL 71 -1.479 -8.853 -7.774 567 H ALA 72 H ALA 72 1.849 -9.986 -6.484 568 HA ALA 72 HA ALA 72 2.216 -7.395 -6.556 569 1HB ALA 72 1HB ALA 72 4.815 -8.978 -6.105 570 2HB ALA 72 2HB ALA 72 4.480 -7.371 -5.670 571 3HB ALA 72 3HB ALA 72 3.508 -8.441 -4.800 572 H GLU 73 H GLU 73 3.824 -9.364 -8.761 573 HA GLU 73 HA GLU 73 5.385 -7.291 -10.327 574 1HB GLU 73 1HB GLU 73 5.795 -9.833 -10.436 575 2HB GLU 73 2HB GLU 73 4.580 -9.717 -11.772 576 1HG GLU 73 1HG GLU 73 5.852 -8.431 -13.181 577 2HG GLU 73 2HG GLU 73 7.172 -8.086 -12.020 578 HE2 GLU 73 HE GLU 73 8.552 -9.251 -11.746 579 H GLU 74 H GLU 74 2.170 -8.617 -10.652 580 HA GLU 74 HA GLU 74 1.637 -7.290 -13.216 581 1HB GLU 74 1HB GLU 74 -0.370 -8.145 -13.409 582 2HB GLU 74 2HB GLU 74 0.313 -9.409 -12.595 583 1HG GLU 74 1HG GLU 74 -1.547 -9.591 -11.437 584 2HG GLU 74 2HG GLU 74 -0.872 -8.385 -10.480 585 HE2 GLU 74 HE GLU 74 -2.895 -9.297 -12.790 586 H TRP 75 H TRP 75 0.495 -6.475 -9.627 587 HA TRP 75 HA TRP 75 -0.927 -4.144 -10.376 588 1HB TRP 75 1HB TRP 75 0.844 -4.844 -8.006 589 2HB TRP 75 2HB TRP 75 -0.199 -3.281 -7.982 590 HD1 TRP 75 HD TRP 75 0.092 -6.510 -6.390 591 HE1 TRP 75 1HE TRP 75 -2.006 -7.858 -5.930 592 HE3 TRP 75 3HE TRP 75 -2.995 -3.938 -9.535 593 HZ2 TRP 75 2HZ TRP 75 -4.433 -7.894 -6.940 594 HZ3 TRP 75 3HZ TRP 75 -5.282 -4.569 -9.666 595 HH2 TRP 75 HH TRP 75 -6.129 -6.678 -8.500 596 H ASN 76 H ASN 76 2.618 -4.600 -9.835 597 HA ASN 76 HA ASN 76 3.948 -3.764 -11.461 598 1HB ASN 76 1HB ASN 76 2.726 -2.083 -12.267 599 2HB ASN 76 2HB ASN 76 3.097 -0.977 -11.108 600 1HD2 ASN 76 1HD2 ASN 76 4.483 -2.389 -13.938 601 2HD2 ASN 76 2HD2 ASN 76 5.717 -0.934 -14.122 602 H VAL 77 H VAL 77 5.122 -5.123 -10.020 603 HA VAL 77 HA VAL 77 7.235 -3.596 -8.469 604 HB VAL 77 HB VAL 77 5.558 -5.993 -7.432 605 1HG1 VAL 77 1HG1 VAL 77 7.622 -4.502 -5.927 606 2HG1 VAL 77 2HG1 VAL 77 6.589 -5.971 -5.294 607 3HG1 VAL 77 3HG1 VAL 77 7.840 -6.004 -6.673 608 1HG2 VAL 77 1HG2 VAL 77 5.125 -3.204 -6.668 609 2HG2 VAL 77 2HG2 VAL 77 3.938 -4.224 -7.315 610 3HG2 VAL 77 3HG2 VAL 77 4.427 -4.650 -5.743 611 H GLU 78 H GLU 78 8.098 -3.973 -10.091 612 HA GLU 78 HA GLU 78 9.795 -6.413 -10.610 613 1HB GLU 78 1HB GLU 78 11.280 -5.052 -11.988 614 2HB GLU 78 2HB GLU 78 9.617 -4.886 -12.395 615 1HG GLU 78 1HG GLU 78 9.988 -2.599 -10.682 616 2HG GLU 78 2HG GLU 78 11.652 -3.064 -11.133 617 HE2 GLU 78 HE GLU 78 9.026 -1.112 -11.971 618 H ALA 79 H ALA 79 9.655 -4.563 -8.111 619 HA ALA 79 HA ALA 79 12.351 -5.072 -7.069 620 1HB ALA 79 1HB ALA 79 11.567 -2.067 -7.417 621 2HB ALA 79 2HB ALA 79 13.106 -2.721 -6.523 622 3HB ALA 79 3HB ALA 79 13.110 -2.923 -8.137 623 H MET 80 H MET 80 12.585 -5.582 -4.902 624 HA MET 80 HA MET 80 10.693 -4.833 -2.703 625 1HB MET 80 1HB MET 80 13.228 -6.289 -2.693 626 2HB MET 80 2HB MET 80 12.249 -5.846 -1.197 627 1HG MET 80 1HG MET 80 11.484 -7.854 -3.226 628 2HG MET 80 2HG MET 80 11.729 -8.074 -1.567 629 1HE MET 80 1HE MET 80 8.928 -7.321 -4.051 630 2HE MET 80 2HE MET 80 7.660 -6.667 -2.919 631 3HE MET 80 3HE MET 80 8.614 -5.518 -3.594 632 HA PRO 81 HA PRO 81 9.797 -2.971 -2.890 633 1HB PRO 81 1HB PRO 81 9.141 -2.229 -0.115 634 2HB PRO 81 2HB PRO 81 10.236 -3.592 -0.503 635 1HG PRO 81 1HG PRO 81 11.314 -0.924 0.528 636 2HG PRO 81 2HG PRO 81 11.794 -2.672 0.588 637 1HD PRO 81 1HD PRO 81 12.249 -0.392 -1.664 638 2HD PRO 81 2HD PRO 81 13.310 -1.699 -0.821 639 H THR 82 H THR 82 8.105 -2.527 -2.666 640 HA THR 82 HA THR 82 7.723 -0.017 -4.306 641 HB THR 82 HB THR 82 6.645 -2.644 -4.635 642 HG1 THR 82 1HG THR 82 8.548 -2.834 -5.701 643 1HG2 THR 82 1HG2 THR 82 6.445 -1.687 -7.100 644 2HG2 THR 82 2HG2 THR 82 5.306 -0.976 -6.104 645 3HG2 THR 82 3HG2 THR 82 6.818 -0.043 -6.348 646 H PHE 83 H PHE 83 6.107 1.057 -4.186 647 HA PHE 83 HA PHE 83 4.089 0.837 -1.960 648 1HB PHE 83 1HB PHE 83 5.222 3.579 -2.241 649 2HB PHE 83 2HB PHE 83 3.991 3.176 -1.269 650 HD1 PHE 83 1HD PHE 83 7.457 2.879 -1.718 651 HD2 PHE 83 2HD PHE 83 4.206 1.954 1.089 652 HE1 PHE 83 1HE PHE 83 9.036 2.937 -0.065 653 HE2 PHE 83 2HE PHE 83 5.900 1.660 2.783 654 HZ PHE 83 HZ PHE 83 8.245 1.936 2.284 655 H ILE 84 H ILE 84 2.103 0.867 -3.179 656 HA ILE 84 HA ILE 84 1.617 2.353 -5.693 657 HB ILE 84 HB ILE 84 0.951 -0.531 -5.023 658 1HG1 ILE 84 1HG1 ILE 84 2.466 0.470 -7.465 659 2HG1 ILE 84 2HG1 ILE 84 3.426 0.220 -6.167 660 1HG2 ILE 84 1HG2 ILE 84 -0.875 0.272 -6.545 661 2HG2 ILE 84 2HG2 ILE 84 0.326 0.737 -7.736 662 3HG2 ILE 84 3HG2 ILE 84 -0.058 -0.949 -7.422 663 1HD1 ILE 84 1HD1 ILE 84 3.567 -1.890 -7.437 664 2HD1 ILE 84 2HD1 ILE 84 2.283 -2.221 -6.184 665 3HD1 ILE 84 3HD1 ILE 84 2.152 -2.019 -7.967 666 H PHE 85 H PHE 85 -0.049 2.812 -6.150 667 HA PHE 85 HA PHE 85 -2.186 3.375 -4.210 668 1HB PHE 85 1HB PHE 85 -0.738 5.287 -6.432 669 2HB PHE 85 2HB PHE 85 -2.172 5.815 -5.566 670 HD1 PHE 85 1HD PHE 85 1.283 4.763 -5.020 671 HD2 PHE 85 2HD PHE 85 -2.041 6.778 -3.509 672 HE1 PHE 85 1HE PHE 85 2.770 5.843 -3.291 673 HE2 PHE 85 2HE PHE 85 -0.483 8.000 -1.841 674 HZ PHE 85 HZ PHE 85 1.936 7.324 -1.815 675 H LEU 86 H LEU 86 -3.867 2.335 -4.686 676 HA LEU 86 HA LEU 86 -5.219 2.319 -7.313 677 1HB LEU 86 1HB LEU 86 -4.209 0.298 -6.291 678 2HB LEU 86 2HB LEU 86 -5.201 0.302 -5.019 679 HG LEU 86 HG LEU 86 -6.220 -1.329 -6.542 680 1HD1 LEU 86 1HD1 LEU 86 -8.095 0.333 -6.172 681 2HD1 LEU 86 2HD1 LEU 86 -7.862 0.941 -7.892 682 3HD1 LEU 86 3HD1 LEU 86 -8.173 -0.790 -7.581 683 1HD2 LEU 86 1HD2 LEU 86 -4.612 -1.092 -8.342 684 2HD2 LEU 86 2HD2 LEU 86 -6.143 -1.340 -8.990 685 3HD2 LEU 86 3HD2 LEU 86 -5.355 0.356 -8.819 686 H LYS 87 H LYS 87 -6.840 3.767 -7.116 687 HA LYS 87 HA LYS 87 -8.505 4.406 -4.681 688 1HB LYS 87 1HB LYS 87 -6.857 5.901 -6.259 689 2HB LYS 87 2HB LYS 87 -8.196 5.891 -7.468 690 1HG LYS 87 1HG LYS 87 -9.768 6.983 -5.830 691 2HG LYS 87 2HG LYS 87 -8.563 6.839 -4.545 692 1HD LYS 87 1HD LYS 87 -6.961 8.130 -6.068 693 2HD LYS 87 2HD LYS 87 -8.368 8.358 -7.226 694 1HE LYS 87 1HE LYS 87 -9.551 9.719 -5.373 695 2HE LYS 87 2HE LYS 87 -8.291 9.403 -4.181 696 1HZ LYS 87 1HZ LYS 87 -7.920 10.640 -6.859 697 2HZ LYS 87 2HZ LYS 87 -8.039 11.521 -5.520 698 H ASP 88 H ASP 88 -10.877 4.886 -5.206 699 HA ASP 88 HA ASP 88 -12.445 3.476 -7.105 700 1HB ASP 88 1HB ASP 88 -14.163 5.314 -6.661 701 2HB ASP 88 2HB ASP 88 -13.510 4.805 -5.273 702 HD2 ASP 88 HD ASP 88 -12.430 8.154 -4.700 703 H GLY 89 H GLY 89 -10.168 4.462 -8.528 704 1HA GLY 89 1HA GLY 89 -11.495 4.611 -11.155 705 2HA GLY 89 2HA GLY 89 -10.781 6.013 -10.828 706 H LYS 90 H LYS 90 -9.859 2.506 -9.997 707 HA LYS 90 HA LYS 90 -8.219 1.099 -10.555 708 1HB LYS 90 1HB LYS 90 -8.358 2.349 -13.314 709 2HB LYS 90 2HB LYS 90 -7.051 1.256 -12.956 710 1HG LYS 90 1HG LYS 90 -8.637 -0.466 -12.527 711 2HG LYS 90 2HG LYS 90 -10.030 0.630 -12.499 712 1HD LYS 90 1HD LYS 90 -8.351 -0.173 -14.999 713 2HD LYS 90 2HD LYS 90 -9.981 -0.799 -14.442 714 1HE LYS 90 1HE LYS 90 -11.199 1.150 -14.997 715 2HE LYS 90 2HE LYS 90 -9.780 2.249 -14.970 716 1HZ LYS 90 1HZ LYS 90 -9.086 0.914 -16.978 717 2HZ LYS 90 2HZ LYS 90 -10.465 1.892 -17.222 718 H LEU 91 H LEU 91 -5.786 1.551 -11.754 719 HA LEU 91 HA LEU 91 -4.179 2.246 -9.372 720 1HB LEU 91 1HB LEU 91 -3.826 0.315 -11.024 721 2HB LEU 91 2HB LEU 91 -3.569 1.470 -12.411 722 HG LEU 91 HG LEU 91 -1.530 2.151 -11.782 723 1HD1 LEU 91 1HD1 LEU 91 -0.349 1.256 -9.719 724 2HD1 LEU 91 2HD1 LEU 91 -1.652 2.213 -9.301 725 3HD1 LEU 91 3HD1 LEU 91 -1.688 0.448 -9.207 726 1HD2 LEU 91 1HD2 LEU 91 -0.099 0.119 -11.992 727 2HD2 LEU 91 2HD2 LEU 91 -1.502 -1.005 -11.389 728 3HD2 LEU 91 3HD2 LEU 91 -1.595 -0.224 -12.899 729 H VAL 92 H VAL 92 -4.167 4.154 -8.913 730 HA VAL 92 HA VAL 92 -3.729 6.579 -10.637 731 HB VAL 92 HB VAL 92 -3.973 8.009 -9.029 732 1HG1 VAL 92 1HG1 VAL 92 -6.385 7.795 -8.574 733 2HG1 VAL 92 2HG1 VAL 92 -5.840 7.382 -10.212 734 3HG1 VAL 92 3HG1 VAL 92 -6.258 6.129 -8.877 735 1HG2 VAL 92 1HG2 VAL 92 -4.705 7.477 -6.624 736 2HG2 VAL 92 2HG2 VAL 92 -4.357 5.704 -6.960 737 3HG2 VAL 92 3HG2 VAL 92 -3.069 7.079 -6.933 738 H ASP 93 H ASP 93 -1.334 4.784 -8.569 739 HA ASP 93 HA ASP 93 0.918 5.998 -10.091 740 1HB ASP 93 1HB ASP 93 0.011 8.109 -8.614 741 2HB ASP 93 2HB ASP 93 0.540 7.173 -7.237 742 HD2 ASP 93 HD ASP 93 2.519 7.336 -6.883 743 H LYS 94 H LYS 94 3.186 5.827 -9.024 744 HA LYS 94 HA LYS 94 3.339 3.364 -7.446 745 1HB LYS 94 1HB LYS 94 4.465 2.053 -9.144 746 2HB LYS 94 2HB LYS 94 2.780 2.221 -9.594 747 1HG LYS 94 1HG LYS 94 4.913 3.939 -10.970 748 2HG LYS 94 2HG LYS 94 4.321 2.314 -11.404 749 1HD LYS 94 1HD LYS 94 2.717 4.897 -11.514 750 2HD LYS 94 2HD LYS 94 3.087 3.963 -12.927 751 1HE LYS 94 1HE LYS 94 1.542 2.104 -12.019 752 2HE LYS 94 2HE LYS 94 1.197 3.226 -10.714 753 1HZ LYS 94 1HZ LYS 94 0.587 3.893 -13.363 754 2HZ LYS 94 2HZ LYS 94 -0.498 3.172 -12.397 755 H THR 95 H THR 95 5.295 3.345 -6.363 756 HA THR 95 HA THR 95 7.751 4.665 -7.216 757 HB THR 95 HB THR 95 6.418 5.681 -4.758 758 HG1 THR 95 1HG THR 95 6.443 6.579 -7.153 759 1HG2 THR 95 1HG2 THR 95 8.977 5.777 -4.655 760 2HG2 THR 95 2HG2 THR 95 9.072 6.948 -5.956 761 3HG2 THR 95 3HG2 THR 95 8.222 7.482 -4.570 762 H VAL 96 H VAL 96 9.226 4.121 -6.028 763 HA VAL 96 HA VAL 96 9.230 1.842 -4.079 764 HB VAL 96 HB VAL 96 9.128 0.407 -5.792 765 1HG1 VAL 96 1HG1 VAL 96 10.561 0.576 -7.845 766 2HG1 VAL 96 2HG1 VAL 96 9.467 1.921 -7.635 767 3HG1 VAL 96 3HG1 VAL 96 11.122 2.218 -7.355 768 1HG2 VAL 96 1HG2 VAL 96 11.112 0.044 -4.271 769 2HG2 VAL 96 2HG2 VAL 96 11.043 -1.020 -5.705 770 3HG2 VAL 96 3HG2 VAL 96 12.245 0.281 -5.611 771 H GLY 97 H GLY 97 10.395 2.467 -2.580 772 1HA GLY 97 1HA GLY 97 12.835 2.795 -2.169 773 2HA GLY 97 2HA GLY 97 12.438 4.549 -2.588 774 H ALA 98 H ALA 98 12.035 2.189 -0.186 775 HA ALA 98 HA ALA 98 10.310 3.599 1.766 776 1HB ALA 98 1HB ALA 98 12.719 1.680 2.289 777 2HB ALA 98 2HB ALA 98 11.613 2.374 3.477 778 3HB ALA 98 3HB ALA 98 11.011 1.325 2.017 779 H ASP 99 H ASP 99 10.432 5.285 2.678 780 HA ASP 99 HA ASP 99 12.896 6.714 3.785 781 1HB ASP 99 1HB ASP 99 12.705 7.283 1.220 782 2HB ASP 99 2HB ASP 99 11.245 8.170 1.688 783 HD2 ASP 99 HD ASP 99 13.269 10.849 1.790 784 H LYS 100 H LYS 100 12.478 7.441 5.535 785 HA LYS 100 HA LYS 100 10.186 7.464 6.795 786 1HB LYS 100 1HB LYS 100 10.826 8.920 8.546 787 2HB LYS 100 2HB LYS 100 11.926 7.579 8.333 788 1HG LYS 100 1HG LYS 100 12.604 10.399 7.328 789 2HG LYS 100 2HG LYS 100 13.002 9.863 8.904 790 1HD LYS 100 1HD LYS 100 14.395 8.055 7.772 791 2HD LYS 100 2HD LYS 100 13.884 8.551 6.125 792 1HE LYS 100 1HE LYS 100 15.019 10.948 6.664 793 2HE LYS 100 2HE LYS 100 15.501 10.309 8.293 794 1HZ LYS 100 1HZ LYS 100 16.167 8.856 5.589 795 2HZ LYS 100 2HZ LYS 100 17.155 9.874 6.230 796 H ASP 101 H ASP 101 11.343 10.612 5.626 797 HA ASP 101 HA ASP 101 8.745 11.945 5.692 798 1HB ASP 101 1HB ASP 101 9.897 13.916 5.110 799 2HB ASP 101 2HB ASP 101 10.791 13.060 6.289 800 HD2 ASP 101 HD ASP 101 12.907 14.568 3.622 801 H GLY 102 H GLY 102 10.467 10.849 3.023 802 1HA GLY 102 1HA GLY 102 8.873 11.578 0.821 803 2HA GLY 102 2HA GLY 102 9.621 10.051 0.782 804 H LEU 103 H LEU 103 8.092 8.643 2.715 805 HA LEU 103 HA LEU 103 5.756 7.872 1.223 806 1HB LEU 103 1HB LEU 103 6.977 6.293 2.469 807 2HB LEU 103 2HB LEU 103 6.750 7.152 3.947 808 HG LEU 103 HG LEU 103 4.340 6.668 4.040 809 1HD1 LEU 103 1HD1 LEU 103 3.277 5.056 2.310 810 2HD1 LEU 103 2HD1 LEU 103 4.105 6.304 1.356 811 3HD1 LEU 103 3HD1 LEU 103 4.841 4.718 1.616 812 1HD2 LEU 103 1HD2 LEU 103 4.677 4.106 4.423 813 2HD2 LEU 103 2HD2 LEU 103 6.287 4.382 3.904 814 3HD2 LEU 103 3HD2 LEU 103 5.770 5.166 5.268 815 HA PRO 104 HA PRO 104 2.866 10.680 4.016 816 1HB PRO 104 1HB PRO 104 5.010 12.477 5.081 817 2HB PRO 104 2HB PRO 104 3.487 12.036 5.969 818 1HG PRO 104 1HG PRO 104 5.873 10.961 6.699 819 2HG PRO 104 2HG PRO 104 4.371 9.923 6.622 820 1HD PRO 104 1HD PRO 104 6.741 10.092 4.607 821 2HD PRO 104 2HD PRO 104 5.901 8.705 5.087 822 H THR 105 H THR 105 5.674 12.075 2.588 823 HA THR 105 HA THR 105 4.382 14.522 1.550 824 HB THR 105 HB THR 105 6.801 12.967 0.359 825 HG1 THR 105 1HG THR 105 7.393 13.266 2.337 826 1HG2 THR 105 1HG2 THR 105 7.591 15.423 -0.283 827 2HG2 THR 105 2HG2 THR 105 6.013 15.306 -0.936 828 3HG2 THR 105 3HG2 THR 105 6.202 16.178 0.595 829 H LEU 106 H LEU 106 5.115 11.358 -0.169 830 HA LEU 106 HA LEU 106 3.747 11.807 -2.624 831 1HB LEU 106 1HB LEU 106 5.532 10.214 -2.182 832 2HB LEU 106 2HB LEU 106 4.477 9.253 -1.171 833 HG LEU 106 HG LEU 106 3.026 8.744 -3.246 834 1HD1 LEU 106 1HD1 LEU 106 3.491 9.027 -5.335 835 2HD1 LEU 106 2HD1 LEU 106 3.795 10.657 -4.636 836 3HD1 LEU 106 3HD1 LEU 106 5.176 9.797 -5.033 837 1HD2 LEU 106 1HD2 LEU 106 4.666 7.152 -4.293 838 2HD2 LEU 106 2HD2 LEU 106 5.923 7.811 -3.419 839 3HD2 LEU 106 3HD2 LEU 106 4.760 6.936 -2.397 840 H VAL 107 H VAL 107 2.418 10.187 0.217 841 HA VAL 107 HA VAL 107 -0.374 9.855 -0.598 842 HB VAL 107 HB VAL 107 1.102 9.856 2.120 843 1HG1 VAL 107 1HG1 VAL 107 -1.161 10.375 2.771 844 2HG1 VAL 107 2HG1 VAL 107 -1.829 9.391 1.547 845 3HG1 VAL 107 3HG1 VAL 107 -1.050 8.616 2.973 846 1HG2 VAL 107 1HG2 VAL 107 0.696 7.340 1.963 847 2HG2 VAL 107 2HG2 VAL 107 -0.045 7.484 0.326 848 3HG2 VAL 107 3HG2 VAL 107 1.625 7.985 0.616 849 H ALA 108 H ALA 108 0.613 12.330 1.847 850 HA ALA 108 HA ALA 108 -1.292 14.079 1.803 851 1HB ALA 108 1HB ALA 108 0.185 15.936 2.054 852 2HB ALA 108 2HB ALA 108 0.923 14.513 2.788 853 3HB ALA 108 3HB ALA 108 1.405 15.015 1.091 854 H LYS 109 H LYS 109 0.861 14.181 -1.046 855 HA LYS 109 HA LYS 109 -0.770 15.852 -2.810 856 1HB LYS 109 1HB LYS 109 1.277 13.799 -3.481 857 2HB LYS 109 2HB LYS 109 0.553 14.848 -4.648 858 1HG LYS 109 1HG LYS 109 1.474 16.721 -4.198 859 2HG LYS 109 2HG LYS 109 1.735 16.453 -2.433 860 1HD LYS 109 1HD LYS 109 3.853 16.426 -3.411 861 2HD LYS 109 2HD LYS 109 3.405 14.771 -2.951 862 1HE LYS 109 1HE LYS 109 2.782 14.790 -5.760 863 2HE LYS 109 2HE LYS 109 3.794 16.242 -5.581 864 1HZ LYS 109 1HZ LYS 109 5.494 14.854 -4.600 865 2HZ LYS 109 2HZ LYS 109 4.566 13.512 -4.598 866 H HIS 110 H HIS 110 -0.737 12.215 -2.487 867 HA HIS 110 HA HIS 110 -2.779 11.862 -4.605 868 1HB HIS 110 1HB HIS 110 -1.311 10.041 -2.531 869 2HB HIS 110 2HB HIS 110 -2.580 9.357 -3.478 870 HD1 HIS 110 1HD HIS 110 -2.600 10.262 -6.120 871 HD2 HIS 110 2HD HIS 110 0.999 10.255 -4.119 872 HE1 HIS 110 1HE HIS 110 -0.609 10.564 -7.748 873 H ALA 111 H ALA 111 -2.944 11.829 -1.135 874 HA ALA 111 HA ALA 111 -5.837 11.415 -0.749 875 1HB ALA 111 1HB ALA 111 -5.382 12.362 1.460 876 2HB ALA 111 2HB ALA 111 -4.204 11.057 1.106 877 3HB ALA 111 3HB ALA 111 -3.707 12.777 1.085 878 H THR 112 H THR 112 -4.144 14.562 -1.166 879 HA THR 112 HA THR 112 -6.541 16.297 -1.041 880 HB THR 112 HB THR 112 -3.602 16.837 -2.034 881 HG1 THR 112 1HG THR 112 -3.274 16.208 -0.099 882 1HG2 THR 112 1HG2 THR 112 -5.293 18.612 -2.542 883 2HG2 THR 112 2HG2 THR 112 -5.728 18.653 -0.818 884 3HG2 THR 112 3HG2 THR 112 -4.051 19.153 -1.298 885 H ALA 113 H ALA 113 -4.316 15.429 -3.672 886 HA ALA 113 HA ALA 113 -5.627 15.985 -5.917 887 1HB ALA 113 1HB ALA 113 -4.364 13.256 -5.586 888 2HB ALA 113 2HB ALA 113 -4.804 13.940 -7.177 889 3HB ALA 113 3HB ALA 113 -3.527 14.763 -6.105 890 HXT ALA 113 HO ALA 113 -8.538 14.479 -6.969 Start of MODEL 19 1 1H ALA 1 1H ALA 1 -13.573 9.926 16.344 2 2H ALA 1 2H ALA 1 -13.926 8.469 16.963 3 HA ALA 1 HA ALA 1 -11.255 9.507 16.221 4 1HB ALA 1 1HB ALA 1 -10.264 7.401 16.974 5 2HB ALA 1 2HB ALA 1 -11.188 8.030 18.400 6 3HB ALA 1 3HB ALA 1 -11.866 6.719 17.365 7 H GLU 2 H GLU 2 -11.044 9.262 14.172 8 HA GLU 2 HA GLU 2 -12.001 7.002 12.588 9 1HB GLU 2 1HB GLU 2 -13.669 8.793 12.442 10 2HB GLU 2 2HB GLU 2 -12.408 9.986 12.113 11 1HG GLU 2 1HG GLU 2 -11.994 8.875 9.895 12 2HG GLU 2 2HG GLU 2 -12.931 7.411 10.279 13 HE2 GLU 2 HE GLU 2 -14.758 10.730 8.986 14 H GLU 3 H GLU 3 -10.310 6.217 11.526 15 HA GLU 3 HA GLU 3 -8.204 8.016 10.368 16 1HB GLU 3 1HB GLU 3 -6.239 6.946 11.478 17 2HB GLU 3 2HB GLU 3 -7.204 7.881 12.557 18 1HG GLU 3 1HG GLU 3 -8.344 5.736 13.517 19 2HG GLU 3 2HG GLU 3 -7.495 4.807 12.247 20 HE2 GLU 3 HE GLU 3 -4.549 4.727 13.833 21 H GLY 4 H GLY 4 -6.610 6.692 9.369 22 1HA GLY 4 1HA GLY 4 -7.500 4.503 7.606 23 2HA GLY 4 2HA GLY 4 -5.973 5.392 7.517 24 H GLN 5 H GLN 5 -6.063 2.614 7.486 25 HA GLN 5 HA GLN 5 -4.794 1.732 10.033 26 1HB GLN 5 1HB GLN 5 -6.335 -0.031 10.560 27 2HB GLN 5 2HB GLN 5 -7.211 1.520 10.603 28 1HG GLN 5 1HG GLN 5 -7.876 0.787 7.955 29 2HG GLN 5 2HG GLN 5 -7.218 -0.801 8.434 30 1HE2 GLN 5 1HE2 GLN 5 -9.984 1.077 8.492 31 2HE2 GLN 5 2HE2 GLN 5 -10.837 0.027 9.706 32 H VAL 6 H VAL 6 -3.361 0.575 9.484 33 HA VAL 6 HA VAL 6 -2.832 -0.920 7.008 34 HB VAL 6 HB VAL 6 -1.038 -0.901 9.603 35 1HG1 VAL 6 1HG1 VAL 6 0.791 -1.286 7.853 36 2HG1 VAL 6 2HG1 VAL 6 -0.318 -2.690 8.015 37 3HG1 VAL 6 3HG1 VAL 6 -0.428 -1.572 6.635 38 1HG2 VAL 6 1HG2 VAL 6 -0.716 0.812 7.014 39 2HG2 VAL 6 2HG2 VAL 6 -1.608 1.497 8.388 40 3HG2 VAL 6 3HG2 VAL 6 0.084 1.142 8.549 41 H ILE 7 H ILE 7 -3.228 -2.770 6.652 42 HA ILE 7 HA ILE 7 -3.767 -4.967 8.481 43 HB ILE 7 HB ILE 7 -5.866 -3.748 7.428 44 1HG1 ILE 7 1HG1 ILE 7 -5.857 -5.735 8.941 45 2HG1 ILE 7 2HG1 ILE 7 -7.357 -5.554 7.876 46 1HG2 ILE 7 1HG2 ILE 7 -6.908 -4.306 5.546 47 2HG2 ILE 7 2HG2 ILE 7 -5.293 -3.691 5.190 48 3HG2 ILE 7 3HG2 ILE 7 -5.657 -5.442 5.025 49 1HD1 ILE 7 1HD1 ILE 7 -5.106 -7.494 7.455 50 2HD1 ILE 7 2HD1 ILE 7 -6.814 -7.832 7.663 51 3HD1 ILE 7 3HD1 ILE 7 -6.168 -7.150 6.219 52 H ALA 8 H ALA 8 -2.634 -6.556 8.342 53 HA ALA 8 HA ALA 8 -0.687 -7.174 6.161 54 1HB ALA 8 1HB ALA 8 -1.662 -8.376 8.893 55 2HB ALA 8 2HB ALA 8 -0.918 -9.510 7.758 56 3HB ALA 8 3HB ALA 8 -0.071 -8.107 8.201 57 H CYS 9 H CYS 9 -0.907 -8.228 4.477 58 HA CYS 9 HA CYS 9 -3.155 -9.974 3.502 59 1HB CYS 9 1HB CYS 9 -1.342 -7.956 1.878 60 2HB CYS 9 2HB CYS 9 -2.602 -9.091 1.363 61 HG CYS 9 HG CYS 9 -4.546 -8.309 2.967 62 H HIS 10 H HIS 10 -2.756 -11.547 2.533 63 HA HIS 10 HA HIS 10 -0.076 -13.040 2.607 64 1HB HIS 10 1HB HIS 10 -2.756 -13.907 3.688 65 2HB HIS 10 2HB HIS 10 -1.362 -14.955 3.688 66 HD1 HIS 10 1HD HIS 10 -2.987 -14.505 6.020 67 HD2 HIS 10 2HD HIS 10 0.844 -12.762 5.161 68 HE1 HIS 10 1HE HIS 10 -1.805 -13.384 8.303 69 H THR 11 H THR 11 -3.312 -13.338 1.255 70 HA THR 11 HA THR 11 -2.613 -15.397 -0.721 71 HB THR 11 HB THR 11 -4.302 -16.981 0.334 72 HG1 THR 11 1HG THR 11 -5.160 -16.134 2.362 73 1HG2 THR 11 1HG2 THR 11 -3.426 -17.665 2.575 74 2HG2 THR 11 2HG2 THR 11 -2.067 -17.407 1.616 75 3HG2 THR 11 3HG2 THR 11 -2.741 -16.192 2.807 76 H VAL 12 H VAL 12 -4.630 -16.228 -1.604 77 HA VAL 12 HA VAL 12 -6.019 -14.212 -3.069 78 HB VAL 12 HB VAL 12 -5.941 -16.534 -3.768 79 1HG1 VAL 12 1HG1 VAL 12 -6.670 -17.801 -1.892 80 2HG1 VAL 12 2HG1 VAL 12 -8.211 -16.956 -1.621 81 3HG1 VAL 12 3HG1 VAL 12 -8.087 -18.103 -2.984 82 1HG2 VAL 12 1HG2 VAL 12 -8.832 -15.569 -3.952 83 2HG2 VAL 12 2HG2 VAL 12 -7.512 -15.097 -4.993 84 3HG2 VAL 12 3HG2 VAL 12 -8.092 -16.793 -4.958 85 H ASP 13 H ASP 13 -6.557 -14.242 -0.050 86 HA ASP 13 HA ASP 13 -9.200 -13.067 0.045 87 1HB ASP 13 1HB ASP 13 -7.249 -13.621 2.429 88 2HB ASP 13 2HB ASP 13 -8.339 -12.319 2.479 89 HD2 ASP 13 HD ASP 13 -9.611 -12.894 3.878 90 H THR 14 H THR 14 -5.873 -12.001 -0.030 91 HA THR 14 HA THR 14 -6.521 -9.115 0.145 92 HB THR 14 HB THR 14 -4.367 -10.032 0.434 93 HG1 THR 14 1HG THR 14 -4.773 -7.816 -1.283 94 1HG2 THR 14 1HG2 THR 14 -4.064 -9.656 -2.653 95 2HG2 THR 14 2HG2 THR 14 -2.735 -10.088 -1.395 96 3HG2 THR 14 3HG2 THR 14 -4.037 -11.232 -1.961 97 H TRP 15 H TRP 15 -6.544 -11.473 -2.530 98 HA TRP 15 HA TRP 15 -7.379 -9.652 -4.575 99 1HB TRP 15 1HB TRP 15 -7.478 -12.578 -4.241 100 2HB TRP 15 2HB TRP 15 -8.704 -12.097 -5.371 101 HD1 TRP 15 HD TRP 15 -4.950 -12.712 -5.328 102 HE1 TRP 15 1HE TRP 15 -3.820 -12.081 -7.741 103 HE3 TRP 15 3HE TRP 15 -8.904 -9.776 -6.830 104 HZ2 TRP 15 2HZ TRP 15 -4.882 -10.248 -9.898 105 HZ3 TRP 15 3HZ TRP 15 -8.598 -8.352 -8.776 106 HH2 TRP 15 HH TRP 15 -6.796 -8.715 -10.359 107 H LYS 16 H LYS 16 -9.604 -11.424 -2.537 108 HA LYS 16 HA LYS 16 -11.943 -9.650 -3.052 109 1HB LYS 16 1HB LYS 16 -11.351 -11.195 -0.613 110 2HB LYS 16 2HB LYS 16 -12.882 -10.454 -0.654 111 1HG LYS 16 1HG LYS 16 -13.704 -11.721 -2.630 112 2HG LYS 16 2HG LYS 16 -12.110 -12.296 -3.034 113 1HD LYS 16 1HD LYS 16 -13.944 -12.677 -0.429 114 2HD LYS 16 2HD LYS 16 -13.960 -13.773 -1.803 115 1HE LYS 16 1HE LYS 16 -11.534 -14.357 -1.390 116 2HE LYS 16 2HE LYS 16 -11.529 -13.377 0.035 117 1HZ LYS 16 1HZ LYS 16 -11.868 -15.876 0.228 118 2HZ LYS 16 2HZ LYS 16 -12.844 -14.965 1.209 119 H GLU 17 H GLU 17 -9.351 -8.957 -0.852 120 HA GLU 17 HA GLU 17 -10.651 -6.693 0.697 121 1HB GLU 17 1HB GLU 17 -7.847 -7.737 0.986 122 2HB GLU 17 2HB GLU 17 -8.686 -6.409 1.865 123 1HG GLU 17 1HG GLU 17 -10.289 -7.992 2.848 124 2HG GLU 17 2HG GLU 17 -9.462 -9.281 1.954 125 HE2 GLU 17 HE GLU 17 -6.793 -7.598 4.585 126 H HIS 18 H HIS 18 -7.773 -6.803 -1.298 127 HA HIS 18 HA HIS 18 -7.318 -3.954 -1.647 128 1HB HIS 18 1HB HIS 18 -5.530 -5.611 -1.959 129 2HB HIS 18 2HB HIS 18 -6.479 -6.375 -3.294 130 HD1 HIS 18 1HD HIS 18 -6.680 -4.054 -5.487 131 HD2 HIS 18 2HD HIS 18 -3.477 -4.694 -2.764 132 HE1 HIS 18 1HE HIS 18 -4.481 -3.241 -6.524 133 H PHE 19 H PHE 19 -8.703 -6.302 -4.007 134 HA PHE 19 HA PHE 19 -9.284 -4.260 -6.029 135 1HB PHE 19 1HB PHE 19 -8.795 -6.595 -6.434 136 2HB PHE 19 2HB PHE 19 -10.497 -6.977 -6.000 137 HD1 PHE 19 1HD PHE 19 -12.256 -6.698 -7.778 138 HD2 PHE 19 2HD PHE 19 -8.365 -4.888 -8.299 139 HE1 PHE 19 1HE PHE 19 -12.813 -6.206 -10.157 140 HE2 PHE 19 2HE PHE 19 -8.947 -4.314 -10.665 141 HZ PHE 19 HZ PHE 19 -11.260 -5.158 -11.496 142 H GLU 20 H GLU 20 -11.665 -5.981 -4.057 143 HA GLU 20 HA GLU 20 -13.879 -4.159 -4.607 144 1HB GLU 20 1HB GLU 20 -13.636 -5.878 -2.096 145 2HB GLU 20 2HB GLU 20 -15.128 -5.293 -2.845 146 1HG GLU 20 1HG GLU 20 -13.364 -7.486 -4.046 147 2HG GLU 20 2HG GLU 20 -14.736 -7.756 -3.085 148 HE2 GLU 20 HE GLU 20 -16.362 -8.172 -6.118 149 H LYS 21 H LYS 21 -11.631 -3.698 -1.737 150 HA LYS 21 HA LYS 21 -12.747 -1.183 -0.895 151 1HB LYS 21 1HB LYS 21 -9.968 -2.144 -0.563 152 2HB LYS 21 2HB LYS 21 -10.490 -0.685 0.118 153 1HG LYS 21 1HG LYS 21 -11.619 -3.485 0.709 154 2HG LYS 21 2HG LYS 21 -10.340 -2.767 1.548 155 1HD LYS 21 1HD LYS 21 -11.696 -1.059 2.582 156 2HD LYS 21 2HD LYS 21 -13.020 -1.335 1.493 157 1HE LYS 21 1HE LYS 21 -13.580 -2.262 3.561 158 2HE LYS 21 2HE LYS 21 -13.510 -3.590 2.365 159 1HZ LYS 21 1HZ LYS 21 -11.069 -3.704 3.379 160 2HZ LYS 21 2HZ LYS 21 -11.627 -3.049 4.680 161 H GLY 22 H GLY 22 -9.939 -1.621 -3.101 162 1HA GLY 22 1HA GLY 22 -9.593 1.112 -3.774 163 2HA GLY 22 2HA GLY 22 -9.005 -0.254 -4.833 164 H LYS 23 H LYS 23 -10.558 -1.115 -6.134 165 HA LYS 23 HA LYS 23 -12.283 0.806 -7.748 166 1HB LYS 23 1HB LYS 23 -10.940 -0.789 -9.064 167 2HB LYS 23 2HB LYS 23 -12.102 -2.029 -8.395 168 1HG LYS 23 1HG LYS 23 -14.075 -0.582 -9.185 169 2HG LYS 23 2HG LYS 23 -12.783 0.168 -10.301 170 1HD LYS 23 1HD LYS 23 -13.495 -2.755 -10.151 171 2HD LYS 23 2HD LYS 23 -14.113 -1.593 -11.301 172 1HE LYS 23 1HE LYS 23 -11.140 -2.443 -10.921 173 2HE LYS 23 2HE LYS 23 -12.140 -3.149 -12.156 174 1HZ LYS 23 1HZ LYS 23 -10.942 -1.527 -13.301 175 2HZ LYS 23 2HZ LYS 23 -12.383 -0.813 -13.302 176 H GLY 24 H GLY 24 -13.826 1.173 -6.380 177 1HA GLY 24 1HA GLY 24 -16.083 0.583 -6.606 178 2HA GLY 24 2HA GLY 24 -15.848 -0.835 -5.489 179 H SER 25 H SER 25 -14.354 0.773 -3.871 180 HA SER 25 HA SER 25 -16.482 1.922 -2.145 181 1HB SER 25 1HB SER 25 -14.007 0.840 -1.054 182 2HB SER 25 2HB SER 25 -15.067 1.849 -0.118 183 HG SER 25 HG SER 25 -15.964 -0.620 -1.101 184 H GLN 26 H GLN 26 -16.392 3.932 -1.457 185 HA GLN 26 HA GLN 26 -14.923 6.044 -3.051 186 1HB GLN 26 1HB GLN 26 -17.183 6.338 -0.912 187 2HB GLN 26 2HB GLN 26 -16.227 7.596 -1.707 188 1HG GLN 26 1HG GLN 26 -18.324 7.321 -2.883 189 2HG GLN 26 2HG GLN 26 -16.946 7.121 -3.849 190 1HE2 GLN 26 1HE2 GLN 26 -17.356 5.673 -5.235 191 2HE2 GLN 26 2HE2 GLN 26 -18.392 4.163 -5.097 192 H LYS 27 H LYS 27 -12.847 4.944 -2.355 193 HA LYS 27 HA LYS 27 -11.535 6.803 -0.523 194 1HB LYS 27 1HB LYS 27 -10.706 4.952 1.023 195 2HB LYS 27 2HB LYS 27 -12.493 5.058 1.018 196 1HG LYS 27 1HG LYS 27 -12.378 3.020 -0.470 197 2HG LYS 27 2HG LYS 27 -10.661 2.945 -0.294 198 1HD LYS 27 1HD LYS 27 -11.569 1.374 1.464 199 2HD LYS 27 2HD LYS 27 -10.952 2.712 2.090 200 1HE LYS 27 1HE LYS 27 -13.122 3.776 2.599 201 2HE LYS 27 2HE LYS 27 -14.019 2.836 1.555 202 1HZ LYS 27 1HZ LYS 27 -12.669 1.899 3.962 203 2HZ LYS 27 2HZ LYS 27 -14.291 2.349 3.870 204 H LEU 28 H LEU 28 -9.416 6.456 -0.285 205 HA LEU 28 HA LEU 28 -7.933 5.595 -2.652 206 1HB LEU 28 1HB LEU 28 -7.552 7.969 -1.684 207 2HB LEU 28 2HB LEU 28 -7.041 7.323 -0.167 208 HG LEU 28 HG LEU 28 -5.013 6.412 -1.311 209 1HD1 LEU 28 1HD1 LEU 28 -4.509 7.051 -3.649 210 2HD1 LEU 28 2HD1 LEU 28 -5.792 6.012 -3.695 211 3HD1 LEU 28 3HD1 LEU 28 -6.195 7.696 -3.735 212 1HD2 LEU 28 1HD2 LEU 28 -5.157 8.686 -0.369 213 2HD2 LEU 28 2HD2 LEU 28 -3.955 8.376 -1.516 214 3HD2 LEU 28 3HD2 LEU 28 -5.327 9.370 -1.952 215 H ILE 29 H ILE 29 -6.478 3.954 -2.297 216 HA ILE 29 HA ILE 29 -5.958 2.468 0.280 217 HB ILE 29 HB ILE 29 -6.286 0.370 -0.426 218 1HG1 ILE 29 1HG1 ILE 29 -6.995 0.914 -3.284 219 2HG1 ILE 29 2HG1 ILE 29 -5.320 0.748 -2.914 220 1HG2 ILE 29 1HG2 ILE 29 -8.664 0.105 -1.242 221 2HG2 ILE 29 2HG2 ILE 29 -8.610 1.381 -0.023 222 3HG2 ILE 29 3HG2 ILE 29 -8.637 1.901 -1.642 223 1HD1 ILE 29 1HD1 ILE 29 -6.344 -1.366 -3.661 224 2HD1 ILE 29 2HD1 ILE 29 -5.498 -1.488 -2.054 225 3HD1 ILE 29 3HD1 ILE 29 -7.384 -1.560 -2.182 226 H VAL 30 H VAL 30 -3.890 2.367 0.542 227 HA VAL 30 HA VAL 30 -1.836 2.766 -1.626 228 HB VAL 30 HB VAL 30 -1.788 4.037 1.127 229 1HG1 VAL 30 1HG1 VAL 30 0.557 3.903 -0.860 230 2HG1 VAL 30 2HG1 VAL 30 0.595 4.982 0.586 231 3HG1 VAL 30 3HG1 VAL 30 0.345 3.369 0.829 232 1HG2 VAL 30 1HG2 VAL 30 -1.505 6.218 -0.292 233 2HG2 VAL 30 2HG2 VAL 30 -2.042 5.233 -1.702 234 3HG2 VAL 30 3HG2 VAL 30 -3.128 5.521 -0.212 235 H VAL 31 H VAL 31 -0.427 1.103 -1.637 236 HA VAL 31 HA VAL 31 -0.442 -1.118 0.400 237 HB VAL 31 HB VAL 31 -2.164 -1.713 -0.853 238 1HG1 VAL 31 1HG1 VAL 31 -1.692 -0.103 -2.968 239 2HG1 VAL 31 2HG1 VAL 31 -0.926 -1.506 -3.707 240 3HG1 VAL 31 3HG1 VAL 31 -2.555 -1.660 -3.110 241 1HG2 VAL 31 1HG2 VAL 31 -1.456 -3.851 -1.641 242 2HG2 VAL 31 2HG2 VAL 31 0.109 -3.484 -1.961 243 3HG2 VAL 31 3HG2 VAL 31 -0.374 -3.414 -0.357 244 H ASP 32 H ASP 32 1.321 -1.430 0.968 245 HA ASP 32 HA ASP 32 3.921 -1.183 -0.400 246 1HB ASP 32 1HB ASP 32 3.543 -0.531 2.083 247 2HB ASP 32 2HB ASP 32 3.727 -2.260 2.427 248 HD2 ASP 32 HD ASP 32 6.934 -0.452 0.422 249 H PHE 33 H PHE 33 5.130 -2.799 -1.095 250 HA PHE 33 HA PHE 33 4.358 -5.722 -0.988 251 1HB PHE 33 1HB PHE 33 5.121 -4.097 -3.509 252 2HB PHE 33 2HB PHE 33 5.165 -5.828 -3.349 253 HD1 PHE 33 1HD PHE 33 3.255 -6.953 -3.355 254 HD2 PHE 33 2HD PHE 33 2.987 -2.760 -3.740 255 HE1 PHE 33 1HE PHE 33 0.768 -7.141 -4.106 256 HE2 PHE 33 2HE PHE 33 0.687 -3.051 -4.518 257 HZ PHE 33 HZ PHE 33 -0.523 -4.993 -4.414 258 H THR 34 H THR 34 6.044 -6.782 -0.114 259 HA THR 34 HA THR 34 8.737 -5.753 0.135 260 HB THR 34 HB THR 34 7.781 -4.087 1.826 261 HG1 THR 34 1HG THR 34 9.142 -6.417 2.928 262 1HG2 THR 34 1HG2 THR 34 6.342 -6.552 3.106 263 2HG2 THR 34 2HG2 THR 34 6.552 -4.929 3.888 264 3HG2 THR 34 3HG2 THR 34 5.859 -4.952 2.313 265 H ALA 35 H ALA 35 9.820 -7.145 1.135 266 HA ALA 35 HA ALA 35 9.239 -10.033 1.206 267 1HB ALA 35 1HB ALA 35 11.030 -9.508 -0.109 268 2HB ALA 35 2HB ALA 35 11.700 -8.285 1.129 269 3HB ALA 35 3HB ALA 35 11.704 -10.098 1.411 270 H SER 36 H SER 36 9.224 -11.127 2.961 271 HA SER 36 HA SER 36 9.459 -10.199 5.727 272 1HB SER 36 1HB SER 36 8.519 -12.410 5.212 273 2HB SER 36 2HB SER 36 10.139 -12.897 4.714 274 HG SER 36 HG SER 36 9.778 -13.423 6.920 275 H TRP 37 H TRP 37 12.113 -11.314 3.596 276 HA TRP 37 HA TRP 37 14.435 -10.733 5.194 277 1HB TRP 37 1HB TRP 37 15.644 -11.372 3.223 278 2HB TRP 37 2HB TRP 37 14.562 -12.526 3.730 279 HD1 TRP 37 HD TRP 37 12.506 -13.275 2.301 280 HE1 TRP 37 1HE TRP 37 11.981 -13.265 -0.236 281 HE3 TRP 37 3HE TRP 37 16.240 -10.131 0.936 282 HZ2 TRP 37 2HZ TRP 37 12.934 -11.692 -2.387 283 HZ3 TRP 37 3HZ TRP 37 16.344 -9.316 -1.432 284 HH2 TRP 37 HH TRP 37 14.709 -10.139 -3.127 285 H CYS 38 H CYS 38 13.847 -8.312 5.827 286 HA CYS 38 HA CYS 38 14.649 -6.218 3.977 287 1HB CYS 38 1HB CYS 38 12.327 -6.771 2.926 288 2HB CYS 38 2HB CYS 38 11.613 -6.104 4.390 289 HG CYS 38 HG CYS 38 12.499 -4.747 1.853 290 HA PRO 39 HA PRO 39 14.811 -4.694 8.413 291 1HB PRO 39 1HB PRO 39 17.465 -3.692 7.156 292 2HB PRO 39 2HB PRO 39 17.179 -4.115 8.809 293 1HG PRO 39 1HG PRO 39 18.360 -5.948 7.405 294 2HG PRO 39 2HG PRO 39 17.028 -6.494 8.267 295 1HD PRO 39 1HD PRO 39 16.876 -5.857 5.181 296 2HD PRO 39 2HD PRO 39 16.245 -7.234 6.187 297 HA PRO 40 HA PRO 40 14.659 -0.223 6.001 298 1HB PRO 40 1HB PRO 40 14.199 -1.276 3.134 299 2HB PRO 40 2HB PRO 40 14.961 0.208 3.677 300 1HG PRO 40 1HG PRO 40 16.541 -1.797 3.019 301 2HG PRO 40 2HG PRO 40 16.893 -0.883 4.393 302 1HD PRO 40 1HD PRO 40 15.449 -3.660 4.311 303 2HD PRO 40 2HD PRO 40 16.883 -3.219 5.141 304 H CYS 41 H CYS 41 12.499 -2.641 4.447 305 HA CYS 41 HA CYS 41 10.266 -1.292 5.658 306 1HB CYS 41 1HB CYS 41 10.186 -4.180 4.603 307 2HB CYS 41 2HB CYS 41 8.728 -3.159 5.116 308 HG CYS 41 HG CYS 41 10.321 -3.418 2.430 309 H LYS 42 H LYS 42 12.178 -3.753 7.537 310 HA LYS 42 HA LYS 42 10.393 -3.939 9.712 311 1HB LYS 42 1HB LYS 42 12.792 -5.115 9.276 312 2HB LYS 42 2HB LYS 42 13.481 -3.628 9.876 313 1HG LYS 42 1HG LYS 42 12.329 -3.971 12.150 314 2HG LYS 42 2HG LYS 42 11.552 -5.414 11.396 315 1HD LYS 42 1HD LYS 42 13.776 -6.583 11.215 316 2HD LYS 42 2HD LYS 42 14.566 -5.206 12.012 317 1HE LYS 42 1HE LYS 42 13.133 -5.533 14.065 318 2HE LYS 42 2HE LYS 42 12.447 -6.943 13.254 319 1HZ LYS 42 1HZ LYS 42 14.344 -8.159 13.310 320 2HZ LYS 42 2HZ LYS 42 15.343 -6.913 13.508 321 H MET 43 H MET 43 12.637 -1.229 9.369 322 HA MET 43 HA MET 43 10.874 0.502 11.138 323 1HB MET 43 1HB MET 43 12.276 2.411 10.648 324 2HB MET 43 2HB MET 43 13.291 1.181 11.011 325 1HG MET 43 1HG MET 43 13.962 0.905 8.512 326 2HG MET 43 2HG MET 43 12.497 1.856 8.080 327 1HE MET 43 1HE MET 43 15.039 4.529 7.170 328 2HE MET 43 2HE MET 43 14.487 3.011 6.538 329 3HE MET 43 3HE MET 43 13.390 4.308 7.122 330 H ILE 44 H ILE 44 10.782 0.330 7.660 331 HA ILE 44 HA ILE 44 8.791 2.421 7.425 332 HB ILE 44 HB ILE 44 10.285 1.296 5.563 333 1HG1 ILE 44 1HG1 ILE 44 8.957 2.694 3.893 334 2HG1 ILE 44 2HG1 ILE 44 7.685 2.958 5.038 335 1HG2 ILE 44 1HG2 ILE 44 7.697 0.490 4.158 336 2HG2 ILE 44 2HG2 ILE 44 9.312 -0.128 4.041 337 3HG2 ILE 44 3HG2 ILE 44 8.170 -0.607 5.329 338 1HD1 ILE 44 1HD1 ILE 44 10.531 3.499 5.382 339 2HD1 ILE 44 2HD1 ILE 44 9.454 4.827 4.794 340 3HD1 ILE 44 3HD1 ILE 44 9.228 4.214 6.406 341 H ALA 45 H ALA 45 7.847 -0.871 8.062 342 HA ALA 45 HA ALA 45 5.032 -0.488 8.136 343 1HB ALA 45 1HB ALA 45 6.765 -2.519 9.689 344 2HB ALA 45 2HB ALA 45 5.006 -2.201 9.852 345 3HB ALA 45 3HB ALA 45 5.666 -2.706 8.337 346 HA PRO 46 HA PRO 46 5.171 1.694 12.579 347 1HB PRO 46 1HB PRO 46 8.211 2.485 12.345 348 2HB PRO 46 2HB PRO 46 7.233 2.419 13.877 349 1HG PRO 46 1HG PRO 46 8.814 0.269 13.214 350 2HG PRO 46 2HG PRO 46 7.216 -0.006 13.879 351 1HD PRO 46 1HD PRO 46 8.239 -0.378 11.047 352 2HD PRO 46 2HD PRO 46 6.985 -1.259 11.883 353 H ILE 47 H ILE 47 7.289 2.981 9.986 354 HA ILE 47 HA ILE 47 6.259 5.825 10.038 355 HB ILE 47 HB ILE 47 7.654 4.421 7.712 356 1HG1 ILE 47 1HG1 ILE 47 9.303 4.464 9.476 357 2HG1 ILE 47 2HG1 ILE 47 9.736 5.683 8.269 358 1HG2 ILE 47 1HG2 ILE 47 6.356 6.347 6.910 359 2HG2 ILE 47 2HG2 ILE 47 7.421 7.470 7.927 360 3HG2 ILE 47 3HG2 ILE 47 8.086 6.619 6.681 361 1HD1 ILE 47 1HD1 ILE 47 8.648 7.567 9.667 362 2HD1 ILE 47 2HD1 ILE 47 8.348 6.460 10.990 363 3HD1 ILE 47 3HD1 ILE 47 10.020 6.855 10.567 364 H PHE 48 H PHE 48 5.365 3.055 8.089 365 HA PHE 48 HA PHE 48 3.151 4.338 6.684 366 1HB PHE 48 1HB PHE 48 4.469 2.161 6.101 367 2HB PHE 48 2HB PHE 48 3.561 1.417 7.319 368 HD1 PHE 48 1HD PHE 48 2.411 -0.294 6.056 369 HD2 PHE 48 2HD PHE 48 2.535 3.731 4.523 370 HE1 PHE 48 1HE PHE 48 1.256 -0.995 4.119 371 HE2 PHE 48 2HE PHE 48 1.438 3.011 2.535 372 HZ PHE 48 HZ PHE 48 0.786 0.547 2.271 373 H ALA 49 H ALA 49 3.208 2.519 9.794 374 HA ALA 49 HA ALA 49 0.402 2.961 10.554 375 1HB ALA 49 1HB ALA 49 1.393 1.232 11.644 376 2HB ALA 49 2HB ALA 49 2.707 2.286 12.329 377 3HB ALA 49 3HB ALA 49 1.048 2.475 12.763 378 H GLU 50 H GLU 50 3.333 5.141 11.390 379 HA GLU 50 HA GLU 50 1.570 7.128 12.798 380 1HB GLU 50 1HB GLU 50 4.165 6.679 13.026 381 2HB GLU 50 2HB GLU 50 4.238 7.511 11.473 382 1HG GLU 50 1HG GLU 50 2.847 9.455 12.717 383 2HG GLU 50 2HG GLU 50 3.007 8.556 14.131 384 HE2 GLU 50 HE GLU 50 5.936 9.806 15.059 385 H LEU 51 H LEU 51 2.493 6.847 9.618 386 HA LEU 51 HA LEU 51 1.173 9.149 8.387 387 1HB LEU 51 1HB LEU 51 3.033 7.812 7.553 388 2HB LEU 51 2HB LEU 51 2.082 6.385 7.412 389 HG LEU 51 HG LEU 51 2.529 7.726 5.176 390 1HD1 LEU 51 1HD1 LEU 51 0.348 7.062 4.242 391 2HD1 LEU 51 2HD1 LEU 51 1.237 5.826 5.099 392 3HD1 LEU 51 3HD1 LEU 51 -0.078 6.573 5.966 393 1HD2 LEU 51 1HD2 LEU 51 1.696 9.999 6.055 394 2HD2 LEU 51 2HD2 LEU 51 0.754 9.431 4.635 395 3HD2 LEU 51 3HD2 LEU 51 0.130 9.342 6.148 396 H ALA 52 H ALA 52 -0.007 5.845 8.916 397 HA ALA 52 HA ALA 52 -2.658 6.123 7.727 398 1HB ALA 52 1HB ALA 52 -1.721 3.891 7.956 399 2HB ALA 52 2HB ALA 52 -1.716 4.046 9.730 400 3HB ALA 52 3HB ALA 52 -3.269 3.992 8.825 401 H LYS 53 H LYS 53 -1.452 6.402 10.793 402 HA LYS 53 HA LYS 53 -3.908 7.041 12.433 403 1HB LYS 53 1HB LYS 53 -0.847 7.388 12.821 404 2HB LYS 53 2HB LYS 53 -1.995 7.880 14.128 405 1HG LYS 53 1HG LYS 53 -2.755 5.677 14.509 406 2HG LYS 53 2HG LYS 53 -1.926 4.963 13.126 407 1HD LYS 53 1HD LYS 53 0.351 5.896 14.342 408 2HD LYS 53 2HD LYS 53 -0.737 6.065 15.751 409 1HE LYS 53 1HE LYS 53 -1.497 3.725 15.715 410 2HE LYS 53 2HE LYS 53 -0.684 3.316 14.270 411 1HZ LYS 53 1HZ LYS 53 1.250 3.129 15.331 412 2HZ LYS 53 2HZ LYS 53 1.062 4.509 16.002 413 H LYS 54 H LYS 54 -1.701 9.037 10.428 414 HA LYS 54 HA LYS 54 -2.755 11.762 11.183 415 1HB LYS 54 1HB LYS 54 -0.340 11.148 10.787 416 2HB LYS 54 2HB LYS 54 -0.664 10.632 9.160 417 1HG LYS 54 1HG LYS 54 -1.396 13.152 8.789 418 2HG LYS 54 2HG LYS 54 -0.918 13.352 10.520 419 1HD LYS 54 1HD LYS 54 1.064 12.222 8.384 420 2HD LYS 54 2HD LYS 54 0.759 14.032 8.594 421 1HE LYS 54 1HE LYS 54 1.488 13.703 11.054 422 2HE LYS 54 2HE LYS 54 1.829 11.940 10.628 423 1HZ LYS 54 1HZ LYS 54 3.707 13.331 10.580 424 2HZ LYS 54 2HZ LYS 54 3.415 12.720 9.011 425 H PHE 55 H PHE 55 -3.477 9.444 8.737 426 HA PHE 55 HA PHE 55 -5.128 11.274 7.146 427 1HB PHE 55 1HB PHE 55 -3.089 9.031 6.644 428 2HB PHE 55 2HB PHE 55 -4.189 9.297 5.492 429 HD1 PHE 55 1HD PHE 55 -1.382 11.001 7.044 430 HD2 PHE 55 2HD PHE 55 -4.413 11.498 4.011 431 HE1 PHE 55 1HE PHE 55 -0.174 12.918 6.126 432 HE2 PHE 55 2HE PHE 55 -3.030 13.501 3.089 433 HZ PHE 55 HZ PHE 55 -1.028 14.130 4.227 434 HA PRO 56 HA PRO 56 -8.543 8.119 8.068 435 1HB PRO 56 1HB PRO 56 -10.723 9.818 8.262 436 2HB PRO 56 2HB PRO 56 -9.439 9.628 9.495 437 1HG PRO 56 1HG PRO 56 -9.468 11.921 7.483 438 2HG PRO 56 2HG PRO 56 -9.092 11.960 9.184 439 1HD PRO 56 1HD PRO 56 -7.202 11.831 7.186 440 2HD PRO 56 2HD PRO 56 -6.988 11.371 8.854 441 H ASN 57 H ASN 57 -8.249 9.617 5.126 442 HA ASN 57 HA ASN 57 -10.883 8.845 3.963 443 1HB ASN 57 1HB ASN 57 -9.975 10.064 1.903 444 2HB ASN 57 2HB ASN 57 -10.073 11.139 3.302 445 1HD2 ASN 57 2HD2 ASN 57 -7.710 11.507 4.430 446 2HD2 ASN 57 1HD2 ASN 57 -6.492 11.796 3.068 447 H VAL 58 H VAL 58 -8.083 7.504 4.601 448 HA VAL 58 HA VAL 58 -7.725 5.865 2.109 449 HB VAL 58 HB VAL 58 -6.577 7.951 2.038 450 1HG1 VAL 58 1HG1 VAL 58 -5.169 7.328 4.667 451 2HG1 VAL 58 2HG1 VAL 58 -4.656 8.649 3.592 452 3HG1 VAL 58 3HG1 VAL 58 -6.263 8.781 4.270 453 1HG2 VAL 58 1HG2 VAL 58 -5.380 6.055 1.003 454 2HG2 VAL 58 2HG2 VAL 58 -4.351 7.342 1.649 455 3HG2 VAL 58 3HG2 VAL 58 -4.449 5.879 2.571 456 H THR 59 H THR 59 -8.120 3.963 2.428 457 HA THR 59 HA THR 59 -7.215 2.272 4.659 458 HB THR 59 HB THR 59 -8.147 1.698 1.952 459 HG1 THR 59 1HG THR 59 -9.390 2.491 3.708 460 1HG2 THR 59 1HG2 THR 59 -7.556 -0.530 4.096 461 2HG2 THR 59 2HG2 THR 59 -8.543 -0.874 2.629 462 3HG2 THR 59 3HG2 THR 59 -6.858 -0.354 2.312 463 H PHE 60 H PHE 60 -5.573 0.838 4.760 464 HA PHE 60 HA PHE 60 -3.344 0.983 2.779 465 1HB PHE 60 1HB PHE 60 -3.026 1.351 5.939 466 2HB PHE 60 2HB PHE 60 -1.543 1.133 4.865 467 HD1 PHE 60 1HD PHE 60 -1.047 2.970 3.323 468 HD2 PHE 60 2HD PHE 60 -4.224 3.581 6.213 469 HE1 PHE 60 1HE PHE 60 -0.845 5.288 3.016 470 HE2 PHE 60 2HE PHE 60 -3.955 6.003 5.891 471 HZ PHE 60 HZ PHE 60 -2.416 6.881 4.161 472 H LEU 61 H LEU 61 -2.238 -0.819 2.637 473 HA LEU 61 HA LEU 61 -2.568 -3.128 4.389 474 1HB LEU 61 1HB LEU 61 -4.107 -4.499 2.934 475 2HB LEU 61 2HB LEU 61 -4.702 -2.943 2.944 476 HG LEU 61 HG LEU 61 -3.179 -2.605 0.699 477 1HD1 LEU 61 1HD1 LEU 61 -3.571 -5.662 0.795 478 2HD1 LEU 61 2HD1 LEU 61 -3.183 -4.707 -0.652 479 3HD1 LEU 61 3HD1 LEU 61 -2.009 -4.739 0.734 480 1HD2 LEU 61 1HD2 LEU 61 -5.959 -2.782 0.956 481 2HD2 LEU 61 2HD2 LEU 61 -5.297 -3.258 -0.552 482 3HD2 LEU 61 3HD2 LEU 61 -5.771 -4.541 0.525 483 H LYS 62 H LYS 62 -1.418 -5.168 3.444 484 HA LYS 62 HA LYS 62 0.888 -4.360 1.851 485 1HB LYS 62 1HB LYS 62 2.603 -4.831 3.573 486 2HB LYS 62 2HB LYS 62 1.774 -3.333 3.769 487 1HG LYS 62 1HG LYS 62 0.374 -4.206 5.649 488 2HG LYS 62 2HG LYS 62 1.010 -5.808 5.388 489 1HD LYS 62 1HD LYS 62 2.682 -3.466 6.319 490 2HD LYS 62 2HD LYS 62 1.975 -4.742 7.332 491 1HE LYS 62 1HE LYS 62 4.227 -4.997 5.186 492 2HE LYS 62 2HE LYS 62 4.432 -4.653 6.957 493 1HZ LYS 62 1HZ LYS 62 3.277 -6.829 7.380 494 2HZ LYS 62 2HZ LYS 62 4.765 -6.893 6.955 495 H VAL 63 H VAL 63 1.747 -5.907 0.829 496 HA VAL 63 HA VAL 63 1.014 -8.741 1.236 497 HB VAL 63 HB VAL 63 2.079 -7.017 -1.008 498 1HG1 VAL 63 1HG1 VAL 63 2.081 -10.028 -1.079 499 2HG1 VAL 63 2HG1 VAL 63 2.125 -8.961 -2.597 500 3HG1 VAL 63 3HG1 VAL 63 3.410 -8.922 -1.354 501 1HG2 VAL 63 1HG2 VAL 63 -0.435 -8.746 -0.926 502 2HG2 VAL 63 2HG2 VAL 63 -0.410 -7.044 -0.961 503 3HG2 VAL 63 3HG2 VAL 63 0.029 -7.930 -2.357 504 H ASP 64 H ASP 64 2.275 -10.046 2.172 505 HA ASP 64 HA ASP 64 5.285 -9.931 2.131 506 1HB ASP 64 1HB ASP 64 4.091 -11.311 3.876 507 2HB ASP 64 2HB ASP 64 3.566 -12.454 2.723 508 HD2 ASP 64 HD ASP 64 6.856 -13.924 2.893 509 H VAL 65 H VAL 65 6.066 -10.081 0.191 510 HA VAL 65 HA VAL 65 4.837 -10.960 -2.202 511 HB VAL 65 HB VAL 65 6.464 -8.986 -1.758 512 1HG1 VAL 65 1HG1 VAL 65 8.629 -10.503 -1.383 513 2HG1 VAL 65 2HG1 VAL 65 8.358 -11.062 -3.031 514 3HG1 VAL 65 3HG1 VAL 65 8.819 -9.397 -2.631 515 1HG2 VAL 65 1HG2 VAL 65 6.167 -8.419 -4.094 516 2HG2 VAL 65 2HG2 VAL 65 6.806 -10.017 -4.515 517 3HG2 VAL 65 3HG2 VAL 65 5.136 -9.846 -4.025 518 H ASP 66 H ASP 66 7.377 -12.609 -0.363 519 HA ASP 66 HA ASP 66 7.919 -14.765 -2.073 520 1HB ASP 66 1HB ASP 66 7.691 -15.096 1.022 521 2HB ASP 66 2HB ASP 66 8.583 -16.213 0.077 522 HD2 ASP 66 HD ASP 66 10.058 -12.603 1.030 523 H GLU 67 H GLU 67 5.115 -14.558 0.127 524 HA GLU 67 HA GLU 67 3.709 -16.933 -0.797 525 1HB GLU 67 1HB GLU 67 2.791 -14.219 0.405 526 2HB GLU 67 2HB GLU 67 1.760 -15.696 0.086 527 1HG GLU 67 1HG GLU 67 3.325 -16.861 1.805 528 2HG GLU 67 2HG GLU 67 4.148 -15.327 2.125 529 HE2 GLU 67 HE GLU 67 0.372 -16.398 3.322 530 H LEU 68 H LEU 68 3.678 -13.671 -2.376 531 HA LEU 68 HA LEU 68 1.624 -14.463 -4.444 532 1HB LEU 68 1HB LEU 68 1.818 -12.259 -2.262 533 2HB LEU 68 2HB LEU 68 0.768 -11.970 -3.666 534 HG LEU 68 HG LEU 68 0.373 -14.105 -1.631 535 1HD1 LEU 68 1HD1 LEU 68 -0.629 -12.018 -0.649 536 2HD1 LEU 68 2HD1 LEU 68 -1.112 -11.430 -2.281 537 3HD1 LEU 68 3HD1 LEU 68 -1.828 -12.711 -1.393 538 1HD2 LEU 68 1HD2 LEU 68 -1.980 -14.521 -3.049 539 2HD2 LEU 68 2HD2 LEU 68 -1.149 -13.512 -4.238 540 3HD2 LEU 68 3HD2 LEU 68 -0.493 -15.006 -3.931 541 H LYS 69 H LYS 69 4.116 -14.286 -5.180 542 HA LYS 69 HA LYS 69 5.068 -11.712 -6.013 543 1HB LYS 69 1HB LYS 69 6.789 -12.828 -7.433 544 2HB LYS 69 2HB LYS 69 6.908 -12.809 -5.667 545 1HG LYS 69 1HG LYS 69 6.155 -15.288 -5.669 546 2HG LYS 69 2HG LYS 69 5.789 -15.217 -7.311 547 1HD LYS 69 1HD LYS 69 7.828 -16.478 -7.213 548 2HD LYS 69 2HD LYS 69 8.442 -14.833 -7.480 549 1HE LYS 69 1HE LYS 69 8.764 -14.507 -5.005 550 2HE LYS 69 2HE LYS 69 8.001 -16.087 -4.821 551 1HZ LYS 69 1HZ LYS 69 10.814 -15.609 -5.532 552 2HZ LYS 69 2HZ LYS 69 9.999 -16.872 -4.740 553 H ALA 70 H ALA 70 3.140 -14.192 -7.588 554 HA ALA 70 HA ALA 70 3.321 -13.463 -10.306 555 1HB ALA 70 1HB ALA 70 1.087 -14.756 -10.453 556 2HB ALA 70 2HB ALA 70 2.348 -15.494 -9.544 557 3HB ALA 70 3HB ALA 70 0.976 -14.712 -8.690 558 H VAL 71 H VAL 71 0.395 -12.883 -8.664 559 HA VAL 71 HA VAL 71 -0.305 -10.386 -9.911 560 HB VAL 71 HB VAL 71 -1.830 -11.849 -8.591 561 1HG1 VAL 71 1HG1 VAL 71 -2.013 -11.709 -6.223 562 2HG1 VAL 71 2HG1 VAL 71 -0.416 -12.214 -6.484 563 3HG1 VAL 71 3HG1 VAL 71 -0.764 -10.451 -6.101 564 1HG2 VAL 71 1HG2 VAL 71 -1.820 -8.852 -8.466 565 2HG2 VAL 71 2HG2 VAL 71 -2.872 -9.741 -9.250 566 3HG2 VAL 71 3HG2 VAL 71 -2.913 -9.580 -7.388 567 H ALA 72 H ALA 72 1.801 -10.386 -7.064 568 HA ALA 72 HA ALA 72 1.702 -7.359 -6.688 569 1HB ALA 72 1HB ALA 72 4.290 -9.236 -6.354 570 2HB ALA 72 2HB ALA 72 4.095 -7.695 -5.745 571 3HB ALA 72 3HB ALA 72 3.046 -8.955 -4.978 572 H GLU 73 H GLU 73 3.424 -9.360 -8.769 573 HA GLU 73 HA GLU 73 4.918 -7.204 -10.094 574 1HB GLU 73 1HB GLU 73 5.829 -9.361 -10.090 575 2HB GLU 73 2HB GLU 73 4.600 -10.147 -10.887 576 1HG GLU 73 1HG GLU 73 5.097 -8.680 -12.926 577 2HG GLU 73 2HG GLU 73 6.440 -8.185 -12.015 578 HE2 GLU 73 HE GLU 73 7.613 -9.887 -11.006 579 H GLU 74 H GLU 74 1.961 -8.937 -10.881 580 HA GLU 74 HA GLU 74 1.291 -7.545 -13.387 581 1HB GLU 74 1HB GLU 74 -0.095 -9.130 -13.448 582 2HB GLU 74 2HB GLU 74 0.482 -9.724 -11.991 583 1HG GLU 74 1HG GLU 74 -1.669 -9.535 -11.274 584 2HG GLU 74 2HG GLU 74 -1.090 -8.116 -10.651 585 HE2 GLU 74 HE GLU 74 -2.196 -6.529 -10.973 586 H TRP 75 H TRP 75 0.500 -6.350 -9.879 587 HA TRP 75 HA TRP 75 -1.060 -3.941 -10.845 588 1HB TRP 75 1HB TRP 75 0.428 -3.921 -8.380 589 2HB TRP 75 2HB TRP 75 -1.055 -2.967 -9.062 590 HD1 TRP 75 HD TRP 75 -0.017 -6.117 -7.080 591 HE1 TRP 75 1HE TRP 75 -2.280 -7.469 -6.196 592 HE3 TRP 75 3HE TRP 75 -3.411 -3.848 -10.015 593 HZ2 TRP 75 2HZ TRP 75 -4.719 -7.531 -7.009 594 HZ3 TRP 75 3HZ TRP 75 -5.841 -4.753 -9.891 595 HH2 TRP 75 HH TRP 75 -6.450 -6.684 -8.695 596 H ASN 76 H ASN 76 2.273 -4.575 -9.635 597 HA ASN 76 HA ASN 76 3.976 -4.270 -11.746 598 1HB ASN 76 1HB ASN 76 2.804 -2.356 -12.724 599 2HB ASN 76 2HB ASN 76 3.310 -1.274 -11.407 600 1HD2 ASN 76 1HD2 ASN 76 5.375 -3.816 -13.263 601 2HD2 ASN 76 2HD2 ASN 76 6.415 -2.474 -13.896 602 H VAL 77 H VAL 77 4.832 -5.396 -10.006 603 HA VAL 77 HA VAL 77 6.877 -3.839 -8.341 604 HB VAL 77 HB VAL 77 5.428 -6.282 -7.557 605 1HG1 VAL 77 1HG1 VAL 77 7.397 -4.526 -5.732 606 2HG1 VAL 77 2HG1 VAL 77 6.553 -6.099 -5.355 607 3HG1 VAL 77 3HG1 VAL 77 7.777 -6.125 -6.593 608 1HG2 VAL 77 1HG2 VAL 77 5.143 -3.761 -6.261 609 2HG2 VAL 77 2HG2 VAL 77 3.900 -4.594 -7.351 610 3HG2 VAL 77 3HG2 VAL 77 4.463 -5.384 -5.741 611 H GLU 78 H GLU 78 8.306 -3.974 -10.010 612 HA GLU 78 HA GLU 78 9.827 -6.286 -10.579 613 1HB GLU 78 1HB GLU 78 11.316 -4.897 -11.931 614 2HB GLU 78 2HB GLU 78 9.667 -4.807 -12.473 615 1HG GLU 78 1HG GLU 78 11.464 -2.765 -10.882 616 2HG GLU 78 2HG GLU 78 10.750 -2.509 -12.464 617 HE2 GLU 78 HE GLU 78 10.461 -1.785 -9.458 618 H ALA 79 H ALA 79 9.818 -4.558 -7.779 619 HA ALA 79 HA ALA 79 12.715 -4.796 -6.896 620 1HB ALA 79 1HB ALA 79 13.129 -2.745 -8.338 621 2HB ALA 79 2HB ALA 79 11.911 -1.841 -7.198 622 3HB ALA 79 3HB ALA 79 13.431 -2.635 -6.688 623 H MET 80 H MET 80 12.847 -4.865 -5.033 624 HA MET 80 HA MET 80 10.950 -4.180 -2.936 625 1HB MET 80 1HB MET 80 13.678 -5.617 -2.812 626 2HB MET 80 2HB MET 80 12.888 -4.883 -1.419 627 1HG MET 80 1HG MET 80 11.606 -6.904 -3.593 628 2HG MET 80 2HG MET 80 12.216 -7.600 -2.053 629 1HE MET 80 1HE MET 80 8.077 -6.510 -2.799 630 2HE MET 80 2HE MET 80 8.924 -5.316 -3.494 631 3HE MET 80 3HE MET 80 9.099 -7.116 -3.938 632 HA PRO 81 HA PRO 81 9.698 -2.854 -2.673 633 1HB PRO 81 1HB PRO 81 9.368 -2.320 -0.046 634 2HB PRO 81 2HB PRO 81 10.500 -3.405 -0.661 635 1HG PRO 81 1HG PRO 81 11.303 -0.629 0.616 636 2HG PRO 81 2HG PRO 81 12.317 -2.220 0.082 637 1HD PRO 81 1HD PRO 81 11.660 0.377 -1.589 638 2HD PRO 81 2HD PRO 81 13.203 -0.785 -1.380 639 H THR 82 H THR 82 8.103 -2.407 -2.697 640 HA THR 82 HA THR 82 7.515 0.275 -3.967 641 HB THR 82 HB THR 82 6.310 -2.280 -5.035 642 HG1 THR 82 1HG THR 82 8.836 -1.952 -5.274 643 1HG2 THR 82 1HG2 THR 82 5.211 -0.134 -5.765 644 2HG2 THR 82 2HG2 THR 82 6.690 0.338 -6.490 645 3HG2 THR 82 3HG2 THR 82 5.828 -1.077 -7.075 646 H PHE 83 H PHE 83 6.009 1.278 -3.675 647 HA PHE 83 HA PHE 83 3.666 0.614 -1.977 648 1HB PHE 83 1HB PHE 83 4.790 3.346 -2.649 649 2HB PHE 83 2HB PHE 83 3.597 2.897 -1.540 650 HD1 PHE 83 1HD PHE 83 7.275 2.500 -1.809 651 HD2 PHE 83 2HD PHE 83 3.758 2.389 0.740 652 HE1 PHE 83 1HE PHE 83 8.708 2.752 0.330 653 HE2 PHE 83 2HE PHE 83 5.189 2.029 2.582 654 HZ PHE 83 HZ PHE 83 7.475 2.128 2.552 655 H ILE 84 H ILE 84 1.959 0.374 -3.482 656 HA ILE 84 HA ILE 84 1.737 2.137 -5.848 657 HB ILE 84 HB ILE 84 1.338 -0.778 -5.057 658 1HG1 ILE 84 1HG1 ILE 84 1.759 0.033 -7.874 659 2HG1 ILE 84 2HG1 ILE 84 3.027 0.542 -6.708 660 1HG2 ILE 84 1HG2 ILE 84 -1.183 -0.133 -5.808 661 2HG2 ILE 84 2HG2 ILE 84 -0.388 -0.060 -7.470 662 3HG2 ILE 84 3HG2 ILE 84 -0.495 -1.494 -6.667 663 1HD1 ILE 84 1HD1 ILE 84 3.422 -1.596 -5.959 664 2HD1 ILE 84 2HD1 ILE 84 2.211 -2.483 -7.090 665 3HD1 ILE 84 3HD1 ILE 84 3.582 -1.702 -7.595 666 H PHE 85 H PHE 85 -0.300 2.748 -6.516 667 HA PHE 85 HA PHE 85 -1.980 3.903 -4.274 668 1HB PHE 85 1HB PHE 85 -0.544 5.263 -6.575 669 2HB PHE 85 2HB PHE 85 -1.659 6.147 -5.583 670 HD1 PHE 85 1HD PHE 85 1.975 4.829 -5.417 671 HD2 PHE 85 2HD PHE 85 -1.293 6.803 -3.393 672 HE1 PHE 85 1HE PHE 85 3.248 5.116 -3.498 673 HE2 PHE 85 2HE PHE 85 0.391 7.555 -1.685 674 HZ PHE 85 HZ PHE 85 2.512 6.570 -1.605 675 H LEU 86 H LEU 86 -3.991 2.934 -4.692 676 HA LEU 86 HA LEU 86 -5.260 2.899 -7.401 677 1HB LEU 86 1HB LEU 86 -4.109 0.836 -6.228 678 2HB LEU 86 2HB LEU 86 -5.609 0.938 -5.205 679 HG LEU 86 HG LEU 86 -6.103 -0.815 -6.507 680 1HD1 LEU 86 1HD1 LEU 86 -8.003 0.961 -6.588 681 2HD1 LEU 86 2HD1 LEU 86 -7.456 1.294 -8.288 682 3HD1 LEU 86 3HD1 LEU 86 -8.165 -0.363 -7.783 683 1HD2 LEU 86 1HD2 LEU 86 -4.275 -0.863 -8.138 684 2HD2 LEU 86 2HD2 LEU 86 -5.947 -1.059 -9.030 685 3HD2 LEU 86 3HD2 LEU 86 -5.267 0.525 -9.050 686 H LYS 87 H LYS 87 -6.880 4.199 -7.252 687 HA LYS 87 HA LYS 87 -8.532 4.862 -4.784 688 1HB LYS 87 1HB LYS 87 -7.126 6.522 -5.882 689 2HB LYS 87 2HB LYS 87 -7.987 6.357 -7.390 690 1HG LYS 87 1HG LYS 87 -9.947 7.212 -6.558 691 2HG LYS 87 2HG LYS 87 -9.528 7.138 -4.903 692 1HD LYS 87 1HD LYS 87 -7.517 8.833 -5.663 693 2HD LYS 87 2HD LYS 87 -8.413 8.873 -7.241 694 1HE LYS 87 1HE LYS 87 -10.435 9.786 -6.120 695 2HE LYS 87 2HE LYS 87 -9.555 9.618 -4.464 696 1HZ LYS 87 1HZ LYS 87 -7.996 11.228 -5.146 697 2HZ LYS 87 2HZ LYS 87 -8.339 11.008 -6.666 698 H ASP 88 H ASP 88 -10.935 4.886 -5.181 699 HA ASP 88 HA ASP 88 -12.180 3.301 -7.389 700 1HB ASP 88 1HB ASP 88 -14.209 4.090 -6.540 701 2HB ASP 88 2HB ASP 88 -13.142 3.874 -5.154 702 HD2 ASP 88 HD ASP 88 -12.727 7.431 -4.790 703 H GLY 89 H GLY 89 -10.663 4.164 -8.807 704 1HA GLY 89 1HA GLY 89 -12.025 4.810 -11.197 705 2HA GLY 89 2HA GLY 89 -11.243 6.401 -10.625 706 H LYS 90 H LYS 90 -9.981 3.055 -10.291 707 HA LYS 90 HA LYS 90 -8.451 1.640 -11.146 708 1HB LYS 90 1HB LYS 90 -8.169 3.730 -13.366 709 2HB LYS 90 2HB LYS 90 -7.395 2.198 -13.453 710 1HG LYS 90 1HG LYS 90 -9.357 0.863 -13.529 711 2HG LYS 90 2HG LYS 90 -10.402 2.234 -13.306 712 1HD LYS 90 1HD LYS 90 -8.372 1.890 -15.510 713 2HD LYS 90 2HD LYS 90 -10.045 1.277 -15.684 714 1HE LYS 90 1HE LYS 90 -10.871 3.616 -15.412 715 2HE LYS 90 2HE LYS 90 -9.240 4.250 -15.350 716 1HZ LYS 90 1HZ LYS 90 -9.060 3.277 -17.645 717 2HZ LYS 90 2HZ LYS 90 -10.117 4.415 -17.509 718 H LEU 91 H LEU 91 -6.035 1.569 -11.955 719 HA LEU 91 HA LEU 91 -4.393 2.483 -9.781 720 1HB LEU 91 1HB LEU 91 -4.038 0.442 -10.877 721 2HB LEU 91 2HB LEU 91 -3.771 1.134 -12.397 722 HG LEU 91 HG LEU 91 -1.543 2.076 -11.705 723 1HD1 LEU 91 1HD1 LEU 91 -0.564 1.147 -9.645 724 2HD1 LEU 91 2HD1 LEU 91 -1.759 2.411 -9.342 725 3HD1 LEU 91 3HD1 LEU 91 -2.056 0.742 -8.903 726 1HD2 LEU 91 1HD2 LEU 91 -0.414 -0.213 -11.843 727 2HD2 LEU 91 2HD2 LEU 91 -1.957 -1.016 -11.284 728 3HD2 LEU 91 3HD2 LEU 91 -1.873 -0.184 -12.851 729 H VAL 92 H VAL 92 -4.330 4.434 -9.524 730 HA VAL 92 HA VAL 92 -3.722 6.651 -11.348 731 HB VAL 92 HB VAL 92 -3.797 8.128 -9.515 732 1HG1 VAL 92 1HG1 VAL 92 -6.098 7.765 -8.875 733 2HG1 VAL 92 2HG1 VAL 92 -5.812 7.666 -10.612 734 3HG1 VAL 92 3HG1 VAL 92 -6.052 6.201 -9.790 735 1HG2 VAL 92 1HG2 VAL 92 -4.248 7.494 -7.189 736 2HG2 VAL 92 2HG2 VAL 92 -4.075 5.832 -7.474 737 3HG2 VAL 92 3HG2 VAL 92 -2.669 7.066 -7.622 738 H ASP 93 H ASP 93 -1.459 4.845 -9.112 739 HA ASP 93 HA ASP 93 0.947 5.912 -10.370 740 1HB ASP 93 1HB ASP 93 -0.359 7.850 -8.619 741 2HB ASP 93 2HB ASP 93 0.766 7.107 -7.522 742 HD2 ASP 93 HD ASP 93 0.358 9.063 -10.414 743 H LYS 94 H LYS 94 3.094 5.755 -9.159 744 HA LYS 94 HA LYS 94 3.139 3.615 -7.097 745 1HB LYS 94 1HB LYS 94 4.205 2.081 -8.410 746 2HB LYS 94 2HB LYS 94 2.585 2.094 -8.867 747 1HG LYS 94 1HG LYS 94 4.872 3.586 -10.559 748 2HG LYS 94 2HG LYS 94 4.486 1.855 -10.645 749 1HD LYS 94 1HD LYS 94 2.760 4.243 -11.527 750 2HD LYS 94 2HD LYS 94 3.688 3.098 -12.494 751 1HE LYS 94 1HE LYS 94 2.118 1.323 -12.256 752 2HE LYS 94 2HE LYS 94 1.594 1.825 -10.700 753 1HZ LYS 94 1HZ LYS 94 1.043 3.995 -12.408 754 2HZ LYS 94 2HZ LYS 94 0.539 2.593 -13.298 755 H THR 95 H THR 95 5.122 3.491 -6.118 756 HA THR 95 HA THR 95 7.513 5.024 -6.963 757 HB THR 95 HB THR 95 5.807 5.965 -4.857 758 HG1 THR 95 1HG THR 95 5.640 7.797 -5.927 759 1HG2 THR 95 1HG2 THR 95 8.141 6.238 -4.050 760 2HG2 THR 95 2HG2 THR 95 8.679 6.880 -5.614 761 3HG2 THR 95 3HG2 THR 95 7.638 7.750 -4.580 762 H VAL 96 H VAL 96 9.130 4.203 -5.985 763 HA VAL 96 HA VAL 96 8.853 2.075 -3.968 764 HB VAL 96 HB VAL 96 8.935 0.964 -6.022 765 1HG1 VAL 96 1HG1 VAL 96 10.149 0.828 -7.903 766 2HG1 VAL 96 2HG1 VAL 96 9.225 2.469 -7.710 767 3HG1 VAL 96 3HG1 VAL 96 11.047 2.459 -7.560 768 1HG2 VAL 96 1HG2 VAL 96 11.886 0.669 -5.386 769 2HG2 VAL 96 2HG2 VAL 96 10.543 0.124 -4.308 770 3HG2 VAL 96 3HG2 VAL 96 10.686 -0.506 -6.003 771 H GLY 97 H GLY 97 9.802 2.812 -2.441 772 1HA GLY 97 1HA GLY 97 12.499 2.963 -1.963 773 2HA GLY 97 2HA GLY 97 12.013 4.756 -2.175 774 H ALA 98 H ALA 98 12.354 2.385 0.129 775 HA ALA 98 HA ALA 98 10.462 3.310 2.207 776 1HB ALA 98 1HB ALA 98 12.750 1.482 2.667 777 2HB ALA 98 2HB ALA 98 11.599 2.045 3.811 778 3HB ALA 98 3HB ALA 98 11.011 1.078 2.367 779 H ASP 99 H ASP 99 10.604 5.488 2.445 780 HA ASP 99 HA ASP 99 13.067 6.701 3.631 781 1HB ASP 99 1HB ASP 99 13.215 6.911 1.025 782 2HB ASP 99 2HB ASP 99 11.591 7.638 1.124 783 HD2 ASP 99 HD ASP 99 14.797 9.821 2.236 784 H LYS 100 H LYS 100 12.510 7.246 5.287 785 HA LYS 100 HA LYS 100 10.091 7.347 6.526 786 1HB LYS 100 1HB LYS 100 11.055 8.520 8.492 787 2HB LYS 100 2HB LYS 100 12.130 7.359 7.778 788 1HG LYS 100 1HG LYS 100 12.470 10.453 7.562 789 2HG LYS 100 2HG LYS 100 13.022 9.415 8.756 790 1HD LYS 100 1HD LYS 100 14.411 8.053 7.233 791 2HD LYS 100 2HD LYS 100 13.834 8.992 5.901 792 1HE LYS 100 1HE LYS 100 15.086 11.064 6.801 793 2HE LYS 100 2HE LYS 100 15.458 10.208 8.198 794 1HZ LYS 100 1HZ LYS 100 16.420 9.015 5.669 795 2HZ LYS 100 2HZ LYS 100 17.149 10.298 6.419 796 H ASP 101 H ASP 101 11.355 10.389 5.354 797 HA ASP 101 HA ASP 101 8.951 11.963 5.595 798 1HB ASP 101 1HB ASP 101 10.011 13.825 4.701 799 2HB ASP 101 2HB ASP 101 11.202 13.081 5.846 800 HD2 ASP 101 HD ASP 101 13.595 11.823 3.575 801 H GLY 102 H GLY 102 10.433 10.328 3.036 802 1HA GLY 102 1HA GLY 102 9.204 11.232 0.432 803 2HA GLY 102 2HA GLY 102 9.674 9.602 0.868 804 H LEU 103 H LEU 103 8.150 8.363 2.303 805 HA LEU 103 HA LEU 103 5.756 7.915 1.118 806 1HB LEU 103 1HB LEU 103 6.961 6.248 2.326 807 2HB LEU 103 2HB LEU 103 7.030 7.240 3.781 808 HG LEU 103 HG LEU 103 4.620 6.776 4.171 809 1HD1 LEU 103 1HD1 LEU 103 3.150 5.192 2.987 810 2HD1 LEU 103 2HD1 LEU 103 3.470 6.564 2.029 811 3HD1 LEU 103 3HD1 LEU 103 4.302 5.047 1.703 812 1HD2 LEU 103 1HD2 LEU 103 4.782 4.353 4.765 813 2HD2 LEU 103 2HD2 LEU 103 5.940 4.089 3.665 814 3HD2 LEU 103 3HD2 LEU 103 6.334 5.176 4.961 815 HA PRO 104 HA PRO 104 2.972 10.683 4.148 816 1HB PRO 104 1HB PRO 104 5.315 12.544 5.044 817 2HB PRO 104 2HB PRO 104 3.682 12.137 5.857 818 1HG PRO 104 1HG PRO 104 6.036 10.872 6.701 819 2HG PRO 104 2HG PRO 104 4.465 9.944 6.561 820 1HD PRO 104 1HD PRO 104 6.794 9.952 4.625 821 2HD PRO 104 2HD PRO 104 5.731 8.655 5.191 822 H THR 105 H THR 105 5.698 12.035 2.317 823 HA THR 105 HA THR 105 4.613 14.573 1.611 824 HB THR 105 HB THR 105 6.872 13.090 0.335 825 HG1 THR 105 1HG THR 105 7.299 13.444 2.400 826 1HG2 THR 105 1HG2 THR 105 7.602 15.457 -0.378 827 2HG2 THR 105 2HG2 THR 105 6.151 14.859 -1.273 828 3HG2 THR 105 3HG2 THR 105 6.181 16.160 -0.080 829 H LEU 106 H LEU 106 5.105 11.750 -0.274 830 HA LEU 106 HA LEU 106 3.559 12.219 -2.463 831 1HB LEU 106 1HB LEU 106 5.255 10.641 -2.553 832 2HB LEU 106 2HB LEU 106 4.744 9.832 -1.154 833 HG LEU 106 HG LEU 106 2.789 8.954 -2.748 834 1HD1 LEU 106 1HD1 LEU 106 3.309 8.810 -5.148 835 2HD1 LEU 106 2HD1 LEU 106 2.847 10.571 -4.573 836 3HD1 LEU 106 3HD1 LEU 106 4.499 10.039 -5.055 837 1HD2 LEU 106 1HD2 LEU 106 4.288 7.244 -3.647 838 2HD2 LEU 106 2HD2 LEU 106 5.704 8.443 -3.659 839 3HD2 LEU 106 3HD2 LEU 106 5.126 7.853 -2.183 840 H VAL 107 H VAL 107 2.477 10.151 0.335 841 HA VAL 107 HA VAL 107 -0.311 9.745 -0.501 842 HB VAL 107 HB VAL 107 0.977 9.811 2.166 843 1HG1 VAL 107 1HG1 VAL 107 -1.123 10.347 2.969 844 2HG1 VAL 107 2HG1 VAL 107 -2.074 9.267 1.739 845 3HG1 VAL 107 3HG1 VAL 107 -1.118 8.649 3.220 846 1HG2 VAL 107 1HG2 VAL 107 0.141 7.142 1.963 847 2HG2 VAL 107 2HG2 VAL 107 -0.327 7.615 0.398 848 3HG2 VAL 107 3HG2 VAL 107 1.509 7.759 0.744 849 H ALA 108 H ALA 108 1.120 12.585 0.854 850 HA ALA 108 HA ALA 108 -1.389 14.062 1.729 851 1HB ALA 108 1HB ALA 108 0.295 15.880 2.085 852 2HB ALA 108 2HB ALA 108 0.848 14.364 2.695 853 3HB ALA 108 3HB ALA 108 1.521 14.951 1.228 854 H LYS 109 H LYS 109 0.725 14.324 -0.916 855 HA LYS 109 HA LYS 109 -0.868 16.011 -2.791 856 1HB LYS 109 1HB LYS 109 1.373 13.902 -3.328 857 2HB LYS 109 2HB LYS 109 0.495 14.726 -4.616 858 1HG LYS 109 1HG LYS 109 1.312 17.007 -3.800 859 2HG LYS 109 2HG LYS 109 2.153 16.186 -2.534 860 1HD LYS 109 1HD LYS 109 3.571 16.817 -4.466 861 2HD LYS 109 2HD LYS 109 3.630 15.104 -4.228 862 1HE LYS 109 1HE LYS 109 2.171 14.735 -6.344 863 2HE LYS 109 2HE LYS 109 1.996 16.532 -6.519 864 1HZ LYS 109 1HZ LYS 109 4.542 16.362 -6.627 865 2HZ LYS 109 2HZ LYS 109 4.421 14.762 -6.648 866 H HIS 110 H HIS 110 -1.098 12.308 -2.207 867 HA HIS 110 HA HIS 110 -2.948 11.810 -4.427 868 1HB HIS 110 1HB HIS 110 -1.582 10.277 -2.239 869 2HB HIS 110 2HB HIS 110 -3.218 9.753 -2.859 870 HD1 HIS 110 1HD HIS 110 -3.505 9.440 -5.615 871 HD2 HIS 110 2HD HIS 110 0.323 10.007 -3.946 872 HE1 HIS 110 1HE HIS 110 -1.782 9.273 -7.467 873 H ALA 111 H ALA 111 -3.219 12.270 -0.970 874 HA ALA 111 HA ALA 111 -6.129 11.863 -0.382 875 1HB ALA 111 1HB ALA 111 -5.579 13.107 1.678 876 2HB ALA 111 2HB ALA 111 -4.617 11.689 1.299 877 3HB ALA 111 3HB ALA 111 -3.980 13.314 1.079 878 H THR 112 H THR 112 -4.253 14.912 -1.023 879 HA THR 112 HA THR 112 -6.474 16.748 -0.980 880 HB THR 112 HB THR 112 -3.522 16.978 -1.903 881 HG1 THR 112 1HG THR 112 -3.374 18.103 0.032 882 1HG2 THR 112 1HG2 THR 112 -4.948 19.027 -2.935 883 2HG2 THR 112 2HG2 THR 112 -5.376 19.361 -1.331 884 3HG2 THR 112 3HG2 THR 112 -3.700 19.481 -1.713 885 H ALA 113 H ALA 113 -4.338 15.644 -3.571 886 HA ALA 113 HA ALA 113 -6.095 16.376 -5.850 887 1HB ALA 113 1HB ALA 113 -3.553 14.807 -6.301 888 2HB ALA 113 2HB ALA 113 -4.601 15.766 -7.411 889 3HB ALA 113 3HB ALA 113 -3.680 16.617 -6.091 890 HXT ALA 113 HO ALA 113 -8.258 13.710 -5.436 Start of MODEL 20 1 1H ALA 1 1H ALA 1 -14.197 6.785 16.584 2 2H ALA 1 2H ALA 1 -14.103 7.936 17.744 3 HA ALA 1 HA ALA 1 -12.421 9.082 16.158 4 1HB ALA 1 1HB ALA 1 -10.473 7.470 17.056 5 2HB ALA 1 2HB ALA 1 -11.504 8.182 18.317 6 3HB ALA 1 3HB ALA 1 -11.716 6.483 17.787 7 H GLU 2 H GLU 2 -11.630 8.897 14.280 8 HA GLU 2 HA GLU 2 -12.043 6.435 12.539 9 1HB GLU 2 1HB GLU 2 -13.809 8.334 12.491 10 2HB GLU 2 2HB GLU 2 -12.723 9.213 11.392 11 1HG GLU 2 1HG GLU 2 -12.674 7.123 9.925 12 2HG GLU 2 2HG GLU 2 -13.932 6.399 10.838 13 HE2 GLU 2 HE GLU 2 -15.120 8.411 7.885 14 H GLU 3 H GLU 3 -10.327 5.878 11.615 15 HA GLU 3 HA GLU 3 -8.197 7.779 10.644 16 1HB GLU 3 1HB GLU 3 -6.381 6.696 11.898 17 2HB GLU 3 2HB GLU 3 -7.535 7.514 13.023 18 1HG GLU 3 1HG GLU 3 -7.428 4.433 12.433 19 2HG GLU 3 2HG GLU 3 -6.584 5.078 13.677 20 HE2 GLU 3 HE GLU 3 -10.427 4.356 14.135 21 H GLY 4 H GLY 4 -6.362 6.417 9.892 22 1HA GLY 4 1HA GLY 4 -7.151 4.333 7.802 23 2HA GLY 4 2HA GLY 4 -5.510 5.134 7.796 24 H GLN 5 H GLN 5 -5.755 2.540 7.424 25 HA GLN 5 HA GLN 5 -5.415 1.076 10.065 26 1HB GLN 5 1HB GLN 5 -7.383 -0.458 9.561 27 2HB GLN 5 2HB GLN 5 -7.828 1.181 9.533 28 1HG GLN 5 1HG GLN 5 -7.505 1.033 6.839 29 2HG GLN 5 2HG GLN 5 -7.539 -0.708 7.170 30 1HE2 GLN 5 1HE2 GLN 5 -9.429 -1.521 8.167 31 2HE2 GLN 5 2HE2 GLN 5 -10.990 -0.588 8.073 32 H VAL 6 H VAL 6 -3.624 0.321 9.753 33 HA VAL 6 HA VAL 6 -2.572 -1.086 7.382 34 HB VAL 6 HB VAL 6 -1.211 -0.814 10.089 35 1HG1 VAL 6 1HG1 VAL 6 0.912 -1.343 8.767 36 2HG1 VAL 6 2HG1 VAL 6 -0.244 -2.682 8.897 37 3HG1 VAL 6 3HG1 VAL 6 -0.203 -1.958 7.425 38 1HG2 VAL 6 1HG2 VAL 6 -0.753 0.729 7.481 39 2HG2 VAL 6 2HG2 VAL 6 -1.587 1.372 8.945 40 3HG2 VAL 6 3HG2 VAL 6 0.127 0.990 8.991 41 H ILE 7 H ILE 7 -2.908 -3.114 6.908 42 HA ILE 7 HA ILE 7 -3.547 -5.280 8.722 43 HB ILE 7 HB ILE 7 -5.699 -3.981 7.794 44 1HG1 ILE 7 1HG1 ILE 7 -6.119 -5.848 9.170 45 2HG1 ILE 7 2HG1 ILE 7 -7.085 -6.072 7.725 46 1HG2 ILE 7 1HG2 ILE 7 -5.426 -3.883 5.429 47 2HG2 ILE 7 2HG2 ILE 7 -5.353 -5.701 5.273 48 3HG2 ILE 7 3HG2 ILE 7 -6.746 -4.899 5.726 49 1HD1 ILE 7 1HD1 ILE 7 -5.999 -8.270 8.496 50 2HD1 ILE 7 2HD1 ILE 7 -5.457 -7.738 6.777 51 3HD1 ILE 7 3HD1 ILE 7 -4.452 -7.546 8.159 52 H ALA 8 H ALA 8 -2.365 -6.839 8.327 53 HA ALA 8 HA ALA 8 -0.595 -7.287 5.937 54 1HB ALA 8 1HB ALA 8 0.095 -9.449 7.137 55 2HB ALA 8 2HB ALA 8 0.077 -7.927 8.169 56 3HB ALA 8 3HB ALA 8 -1.235 -9.067 8.370 57 H CYS 9 H CYS 9 -0.594 -8.522 4.495 58 HA CYS 9 HA CYS 9 -2.959 -10.100 3.439 59 1HB CYS 9 1HB CYS 9 -1.121 -8.080 2.256 60 2HB CYS 9 2HB CYS 9 -2.197 -9.082 1.258 61 HG CYS 9 HG CYS 9 -4.278 -8.350 2.737 62 H HIS 10 H HIS 10 -2.570 -11.879 2.750 63 HA HIS 10 HA HIS 10 0.037 -13.103 1.824 64 1HB HIS 10 1HB HIS 10 -1.911 -14.389 3.796 65 2HB HIS 10 2HB HIS 10 -0.333 -15.136 3.240 66 HD1 HIS 10 1HD HIS 10 1.762 -13.564 4.122 67 HD2 HIS 10 2HD HIS 10 -2.005 -13.089 5.984 68 HE1 HIS 10 1HE HIS 10 2.049 -12.302 6.305 69 H THR 11 H THR 11 -3.338 -13.162 0.735 70 HA THR 11 HA THR 11 -2.747 -15.389 -1.137 71 HB THR 11 HB THR 11 -4.944 -16.548 -0.237 72 HG1 THR 11 1HG THR 11 -5.469 -15.890 1.862 73 1HG2 THR 11 1HG2 THR 11 -2.718 -17.397 0.941 74 2HG2 THR 11 2HG2 THR 11 -2.928 -16.251 2.203 75 3HG2 THR 11 3HG2 THR 11 -4.182 -17.494 1.924 76 H VAL 12 H VAL 12 -4.794 -15.748 -2.282 77 HA VAL 12 HA VAL 12 -5.756 -13.522 -3.754 78 HB VAL 12 HB VAL 12 -6.008 -15.713 -4.642 79 1HG1 VAL 12 1HG1 VAL 12 -8.454 -16.412 -2.811 80 2HG1 VAL 12 2HG1 VAL 12 -7.913 -17.351 -4.117 81 3HG1 VAL 12 3HG1 VAL 12 -6.884 -17.179 -2.748 82 1HG2 VAL 12 1HG2 VAL 12 -7.416 -13.880 -5.527 83 2HG2 VAL 12 2HG2 VAL 12 -8.064 -15.351 -6.015 84 3HG2 VAL 12 3HG2 VAL 12 -8.763 -14.500 -4.564 85 H ASP 13 H ASP 13 -6.638 -14.033 -0.676 86 HA ASP 13 HA ASP 13 -9.308 -12.736 -0.347 87 1HB ASP 13 1HB ASP 13 -7.082 -13.367 1.707 88 2HB ASP 13 2HB ASP 13 -8.369 -12.345 2.174 89 HD2 ASP 13 HD ASP 13 -7.532 -15.501 1.048 90 H THR 14 H THR 14 -5.978 -11.477 0.035 91 HA THR 14 HA THR 14 -6.777 -8.729 0.052 92 HB THR 14 HB THR 14 -4.312 -9.795 0.521 93 HG1 THR 14 1HG THR 14 -5.192 -7.602 0.395 94 1HG2 THR 14 1HG2 THR 14 -3.739 -10.591 -2.068 95 2HG2 THR 14 2HG2 THR 14 -3.694 -8.752 -2.304 96 3HG2 THR 14 3HG2 THR 14 -2.635 -9.487 -1.160 97 H TRP 15 H TRP 15 -6.540 -10.768 -2.677 98 HA TRP 15 HA TRP 15 -6.540 -8.666 -4.885 99 1HB TRP 15 1HB TRP 15 -7.430 -11.601 -4.944 100 2HB TRP 15 2HB TRP 15 -8.036 -10.588 -6.052 101 HD1 TRP 15 HD TRP 15 -4.458 -11.941 -4.889 102 HE1 TRP 15 1HE TRP 15 -3.120 -12.280 -7.075 103 HE3 TRP 15 3HE TRP 15 -7.692 -9.641 -8.344 104 HZ2 TRP 15 2HZ TRP 15 -3.403 -11.657 -9.791 105 HZ3 TRP 15 3HZ TRP 15 -7.239 -9.985 -10.619 106 HH2 TRP 15 HH TRP 15 -5.096 -10.832 -11.423 107 H LYS 16 H LYS 16 -9.030 -10.376 -3.056 108 HA LYS 16 HA LYS 16 -11.226 -8.765 -3.787 109 1HB LYS 16 1HB LYS 16 -11.163 -10.200 -1.142 110 2HB LYS 16 2HB LYS 16 -12.488 -9.465 -1.858 111 1HG LYS 16 1HG LYS 16 -12.463 -10.946 -3.815 112 2HG LYS 16 2HG LYS 16 -11.080 -11.862 -3.292 113 1HD LYS 16 1HD LYS 16 -13.852 -11.621 -1.801 114 2HD LYS 16 2HD LYS 16 -13.370 -12.930 -2.983 115 1HE LYS 16 1HE LYS 16 -11.591 -13.623 -1.494 116 2HE LYS 16 2HE LYS 16 -11.694 -12.338 -0.429 117 1HZ LYS 16 1HZ LYS 16 -12.767 -14.109 0.688 118 2HZ LYS 16 2HZ LYS 16 -14.036 -13.101 0.149 119 H GLU 17 H GLU 17 -9.122 -8.356 -0.804 120 HA GLU 17 HA GLU 17 -10.354 -5.972 0.226 121 1HB GLU 17 1HB GLU 17 -7.315 -6.520 0.631 122 2HB GLU 17 2HB GLU 17 -8.360 -5.432 1.506 123 1HG GLU 17 1HG GLU 17 -9.769 -7.607 2.360 124 2HG GLU 17 2HG GLU 17 -8.732 -8.643 1.531 125 HE2 GLU 17 HE GLU 17 -6.502 -8.772 4.082 126 H HIS 18 H HIS 18 -7.579 -6.063 -1.954 127 HA HIS 18 HA HIS 18 -6.796 -3.313 -2.103 128 1HB HIS 18 1HB HIS 18 -5.706 -5.465 -2.776 129 2HB HIS 18 2HB HIS 18 -6.721 -5.553 -4.105 130 HD1 HIS 18 1HD HIS 18 -6.328 -2.766 -5.457 131 HD2 HIS 18 2HD HIS 18 -3.440 -5.447 -3.980 132 HE1 HIS 18 1HE HIS 18 -4.000 -2.373 -6.702 133 H PHE 19 H PHE 19 -8.836 -5.093 -4.198 134 HA PHE 19 HA PHE 19 -9.420 -2.810 -5.962 135 1HB PHE 19 1HB PHE 19 -9.983 -5.896 -6.198 136 2HB PHE 19 2HB PHE 19 -10.983 -4.884 -7.197 137 HD1 PHE 19 1HD PHE 19 -9.948 -3.334 -8.888 138 HD2 PHE 19 2HD PHE 19 -7.589 -6.046 -6.717 139 HE1 PHE 19 1HE PHE 19 -8.024 -2.917 -10.486 140 HE2 PHE 19 2HE PHE 19 -5.562 -5.462 -8.016 141 HZ PHE 19 HZ PHE 19 -5.848 -4.029 -9.974 142 H GLU 20 H GLU 20 -11.578 -5.043 -4.057 143 HA GLU 20 HA GLU 20 -13.953 -3.554 -4.400 144 1HB GLU 20 1HB GLU 20 -13.205 -5.258 -2.022 145 2HB GLU 20 2HB GLU 20 -14.830 -4.570 -2.397 146 1HG GLU 20 1HG GLU 20 -13.186 -6.496 -4.277 147 2HG GLU 20 2HG GLU 20 -14.234 -7.071 -2.934 148 HE2 GLU 20 HE GLU 20 -15.722 -6.816 -6.351 149 H LYS 21 H LYS 21 -11.644 -3.010 -1.701 150 HA LYS 21 HA LYS 21 -13.004 -0.757 -0.571 151 1HB LYS 21 1HB LYS 21 -9.988 -1.294 -0.546 152 2HB LYS 21 2HB LYS 21 -10.745 0.022 0.296 153 1HG LYS 21 1HG LYS 21 -11.124 -2.994 0.945 154 2HG LYS 21 2HG LYS 21 -10.107 -1.823 1.813 155 1HD LYS 21 1HD LYS 21 -11.896 -0.430 2.532 156 2HD LYS 21 2HD LYS 21 -13.123 -1.256 1.727 157 1HE LYS 21 1HE LYS 21 -13.368 -2.120 3.942 158 2HE LYS 21 2HE LYS 21 -12.553 -3.448 3.035 159 1HZ LYS 21 1HZ LYS 21 -10.835 -1.524 4.412 160 2HZ LYS 21 2HZ LYS 21 -11.726 -2.575 5.285 161 H GLY 22 H GLY 22 -10.064 -0.707 -2.686 162 1HA GLY 22 1HA GLY 22 -9.615 1.932 -3.358 163 2HA GLY 22 2HA GLY 22 -9.257 0.661 -4.482 164 H LYS 23 H LYS 23 -10.827 0.000 -5.867 165 HA LYS 23 HA LYS 23 -12.866 1.792 -6.802 166 1HB LYS 23 1HB LYS 23 -11.721 0.727 -8.412 167 2HB LYS 23 2HB LYS 23 -12.086 -0.928 -7.726 168 1HG LYS 23 1HG LYS 23 -14.694 0.415 -8.396 169 2HG LYS 23 2HG LYS 23 -13.527 0.789 -9.799 170 1HD LYS 23 1HD LYS 23 -14.120 -2.044 -8.489 171 2HD LYS 23 2HD LYS 23 -15.018 -1.465 -9.897 172 1HE LYS 23 1HE LYS 23 -12.937 -1.339 -11.258 173 2HE LYS 23 2HE LYS 23 -11.816 -1.742 -10.061 174 1HZ LYS 23 1HZ LYS 23 -12.879 -3.936 -9.820 175 2HZ LYS 23 2HZ LYS 23 -14.115 -3.462 -10.702 176 H GLY 24 H GLY 24 -14.160 1.966 -5.344 177 1HA GLY 24 1HA GLY 24 -16.586 0.678 -5.459 178 2HA GLY 24 2HA GLY 24 -15.973 -0.344 -4.250 179 H SER 25 H SER 25 -14.513 2.015 -3.083 180 HA SER 25 HA SER 25 -16.714 3.197 -1.500 181 1HB SER 25 1HB SER 25 -14.032 2.254 -0.378 182 2HB SER 25 2HB SER 25 -15.439 2.839 0.698 183 HG SER 25 HG SER 25 -15.140 0.573 -1.104 184 H GLN 26 H GLN 26 -16.449 5.327 -1.279 185 HA GLN 26 HA GLN 26 -14.552 7.014 -2.499 186 1HB GLN 26 1HB GLN 26 -16.585 7.551 -0.207 187 2HB GLN 26 2HB GLN 26 -15.576 8.796 -0.734 188 1HG GLN 26 1HG GLN 26 -17.634 8.959 -1.915 189 2HG GLN 26 2HG GLN 26 -16.391 8.693 -3.061 190 1HE2 GLN 26 1HE2 GLN 26 -17.145 7.620 -4.737 191 2HE2 GLN 26 2HE2 GLN 26 -18.352 6.238 -4.737 192 H LYS 27 H LYS 27 -12.638 5.692 -1.780 193 HA LYS 27 HA LYS 27 -10.888 7.430 -0.083 194 1HB LYS 27 1HB LYS 27 -10.146 5.517 1.396 195 2HB LYS 27 2HB LYS 27 -11.906 5.946 1.363 196 1HG LYS 27 1HG LYS 27 -12.446 3.950 -0.049 197 2HG LYS 27 2HG LYS 27 -10.627 3.556 -0.058 198 1HD LYS 27 1HD LYS 27 -11.818 2.100 1.677 199 2HD LYS 27 2HD LYS 27 -10.645 3.162 2.355 200 1HE LYS 27 1HE LYS 27 -12.450 4.605 3.186 201 2HE LYS 27 2HE LYS 27 -13.713 3.814 2.167 202 1HZ LYS 27 1HZ LYS 27 -12.167 2.607 4.238 203 2HZ LYS 27 2HZ LYS 27 -13.430 3.425 4.610 204 H LEU 28 H LEU 28 -8.682 6.765 -0.031 205 HA LEU 28 HA LEU 28 -7.390 5.685 -2.535 206 1HB LEU 28 1HB LEU 28 -6.695 8.092 -1.707 207 2HB LEU 28 2HB LEU 28 -6.095 7.330 -0.386 208 HG LEU 28 HG LEU 28 -4.652 5.719 -2.067 209 1HD1 LEU 28 1HD1 LEU 28 -5.849 6.839 -4.178 210 2HD1 LEU 28 2HD1 LEU 28 -5.134 8.391 -3.649 211 3HD1 LEU 28 3HD1 LEU 28 -4.103 6.921 -4.164 212 1HD2 LEU 28 1HD2 LEU 28 -3.900 8.604 -1.304 213 2HD2 LEU 28 2HD2 LEU 28 -3.553 7.208 -0.279 214 3HD2 LEU 28 3HD2 LEU 28 -2.721 7.360 -1.786 215 H ILE 29 H ILE 29 -5.848 3.935 -2.113 216 HA ILE 29 HA ILE 29 -5.710 2.615 0.439 217 HB ILE 29 HB ILE 29 -6.545 0.616 0.023 218 1HG1 ILE 29 1HG1 ILE 29 -7.703 0.196 -2.587 219 2HG1 ILE 29 2HG1 ILE 29 -6.450 1.309 -2.929 220 1HG2 ILE 29 1HG2 ILE 29 -8.842 0.596 -0.543 221 2HG2 ILE 29 2HG2 ILE 29 -8.485 2.061 0.457 222 3HG2 ILE 29 3HG2 ILE 29 -8.730 2.278 -1.255 223 1HD1 ILE 29 1HD1 ILE 29 -4.761 -0.344 -2.475 224 2HD1 ILE 29 2HD1 ILE 29 -5.982 -1.321 -1.577 225 3HD1 ILE 29 3HD1 ILE 29 -6.155 -1.139 -3.270 226 H VAL 30 H VAL 30 -3.885 1.597 0.507 227 HA VAL 30 HA VAL 30 -1.822 1.959 -1.535 228 HB VAL 30 HB VAL 30 -1.323 2.336 1.323 229 1HG1 VAL 30 1HG1 VAL 30 0.824 1.903 0.238 230 2HG1 VAL 30 2HG1 VAL 30 0.599 3.171 -0.909 231 3HG1 VAL 30 3HG1 VAL 30 0.763 3.647 0.710 232 1HG2 VAL 30 1HG2 VAL 30 -1.313 4.841 0.981 233 2HG2 VAL 30 2HG2 VAL 30 -1.851 4.610 -0.660 234 3HG2 VAL 30 3HG2 VAL 30 -3.004 4.068 0.746 235 H VAL 31 H VAL 31 -0.212 0.330 -1.610 236 HA VAL 31 HA VAL 31 -0.407 -2.040 0.150 237 HB VAL 31 HB VAL 31 -2.092 -2.723 -0.969 238 1HG1 VAL 31 1HG1 VAL 31 -0.942 -2.101 -3.756 239 2HG1 VAL 31 2HG1 VAL 31 -2.656 -2.528 -3.332 240 3HG1 VAL 31 3HG1 VAL 31 -1.982 -1.006 -2.861 241 1HG2 VAL 31 1HG2 VAL 31 -1.487 -4.755 -2.352 242 2HG2 VAL 31 2HG2 VAL 31 0.175 -4.130 -2.283 243 3HG2 VAL 31 3HG2 VAL 31 -0.548 -4.506 -0.811 244 H ASP 32 H ASP 32 1.482 -2.122 0.869 245 HA ASP 32 HA ASP 32 3.942 -1.732 -0.456 246 1HB ASP 32 1HB ASP 32 3.418 -1.330 2.091 247 2HB ASP 32 2HB ASP 32 3.549 -2.947 2.293 248 HD2 ASP 32 HD ASP 32 6.767 -1.147 0.672 249 H PHE 33 H PHE 33 4.722 -3.259 -1.668 250 HA PHE 33 HA PHE 33 4.449 -6.254 -1.365 251 1HB PHE 33 1HB PHE 33 5.533 -4.454 -3.783 252 2HB PHE 33 2HB PHE 33 5.473 -6.324 -3.752 253 HD1 PHE 33 1HD PHE 33 3.636 -7.699 -3.565 254 HD2 PHE 33 2HD PHE 33 3.113 -3.518 -4.407 255 HE1 PHE 33 1HE PHE 33 1.291 -8.167 -4.288 256 HE2 PHE 33 2HE PHE 33 0.786 -3.897 -4.916 257 HZ PHE 33 HZ PHE 33 -0.214 -6.299 -4.862 258 H THR 34 H THR 34 5.947 -7.028 -0.157 259 HA THR 34 HA THR 34 8.675 -6.242 -0.187 260 HB THR 34 HB THR 34 7.724 -4.145 1.074 261 HG1 THR 34 1HG THR 34 9.110 -6.163 2.358 262 1HG2 THR 34 1HG2 THR 34 7.045 -6.182 3.268 263 2HG2 THR 34 2HG2 THR 34 6.810 -4.405 3.249 264 3HG2 THR 34 3HG2 THR 34 5.813 -5.582 2.424 265 H ALA 35 H ALA 35 9.891 -7.567 1.164 266 HA ALA 35 HA ALA 35 8.854 -10.199 2.224 267 1HB ALA 35 1HB ALA 35 11.456 -10.502 1.930 268 2HB ALA 35 2HB ALA 35 10.529 -9.873 0.407 269 3HB ALA 35 3HB ALA 35 11.597 -8.800 1.440 270 H SER 36 H SER 36 9.195 -10.834 4.098 271 HA SER 36 HA SER 36 9.486 -9.029 6.457 272 1HB SER 36 1HB SER 36 8.351 -11.292 6.526 273 2HB SER 36 2HB SER 36 10.018 -12.100 6.672 274 HG SER 36 HG SER 36 10.084 -11.191 8.614 275 H TRP 37 H TRP 37 11.726 -10.865 4.799 276 HA TRP 37 HA TRP 37 14.089 -9.852 6.264 277 1HB TRP 37 1HB TRP 37 15.495 -11.070 4.906 278 2HB TRP 37 2HB TRP 37 14.310 -12.095 5.647 279 HD1 TRP 37 HD TRP 37 12.332 -13.259 4.030 280 HE1 TRP 37 1HE TRP 37 11.740 -13.173 1.442 281 HE3 TRP 37 3HE TRP 37 16.178 -10.335 2.472 282 HZ2 TRP 37 2HZ TRP 37 13.185 -12.394 -0.900 283 HZ3 TRP 37 3HZ TRP 37 16.525 -9.967 0.084 284 HH2 TRP 37 HH TRP 37 15.084 -10.901 -1.577 285 H CYS 38 H CYS 38 13.486 -7.651 6.018 286 HA CYS 38 HA CYS 38 14.764 -6.230 3.806 287 1HB CYS 38 1HB CYS 38 12.627 -6.459 2.632 288 2HB CYS 38 2HB CYS 38 11.830 -5.838 3.959 289 HG CYS 38 HG CYS 38 11.860 -4.046 2.159 290 HA PRO 39 HA PRO 39 14.942 -4.121 8.134 291 1HB PRO 39 1HB PRO 39 17.359 -2.782 7.755 292 2HB PRO 39 2HB PRO 39 16.970 -4.260 8.590 293 1HG PRO 39 1HG PRO 39 18.085 -4.166 5.784 294 2HG PRO 39 2HG PRO 39 18.448 -5.355 7.039 295 1HD PRO 39 1HD PRO 39 16.607 -5.912 4.992 296 2HD PRO 39 2HD PRO 39 16.386 -6.588 6.566 297 HA PRO 40 HA PRO 40 14.628 0.298 5.642 298 1HB PRO 40 1HB PRO 40 14.107 -0.832 3.009 299 2HB PRO 40 2HB PRO 40 14.817 0.739 3.418 300 1HG PRO 40 1HG PRO 40 16.361 -1.439 2.526 301 2HG PRO 40 2HG PRO 40 16.958 -0.413 3.920 302 1HD PRO 40 1HD PRO 40 15.423 -3.060 3.999 303 2HD PRO 40 2HD PRO 40 16.862 -2.569 4.926 304 H CYS 41 H CYS 41 12.472 -2.282 4.343 305 HA CYS 41 HA CYS 41 10.109 -0.758 5.404 306 1HB CYS 41 1HB CYS 41 10.105 -3.668 4.246 307 2HB CYS 41 2HB CYS 41 8.748 -2.824 4.776 308 HG CYS 41 HG CYS 41 10.183 -0.687 3.082 309 H LYS 42 H LYS 42 12.362 -2.883 7.099 310 HA LYS 42 HA LYS 42 10.412 -3.292 9.237 311 1HB LYS 42 1HB LYS 42 13.415 -2.975 9.432 312 2HB LYS 42 2HB LYS 42 12.607 -3.306 10.928 313 1HG LYS 42 1HG LYS 42 11.613 -5.408 9.844 314 2HG LYS 42 2HG LYS 42 12.653 -5.207 8.530 315 1HD LYS 42 1HD LYS 42 14.765 -5.292 10.202 316 2HD LYS 42 2HD LYS 42 13.563 -5.513 11.472 317 1HE LYS 42 1HE LYS 42 14.659 -7.488 11.083 318 2HE LYS 42 2HE LYS 42 12.997 -7.885 10.392 319 1HZ LYS 42 1HZ LYS 42 13.692 -7.644 8.198 320 2HZ LYS 42 2HZ LYS 42 15.057 -6.788 8.528 321 H MET 43 H MET 43 12.699 -0.377 8.795 322 HA MET 43 HA MET 43 11.341 1.356 10.799 323 1HB MET 43 1HB MET 43 12.412 3.285 9.946 324 2HB MET 43 2HB MET 43 13.509 1.974 10.354 325 1HG MET 43 1HG MET 43 13.779 1.598 7.891 326 2HG MET 43 2HG MET 43 12.512 2.867 7.500 327 1HE MET 43 1HE MET 43 13.758 5.059 6.371 328 2HE MET 43 2HE MET 43 15.524 5.056 6.654 329 3HE MET 43 3HE MET 43 14.700 3.576 6.027 330 H ILE 44 H ILE 44 10.717 1.102 7.342 331 HA ILE 44 HA ILE 44 8.407 2.763 7.402 332 HB ILE 44 HB ILE 44 9.771 1.472 5.311 333 1HG1 ILE 44 1HG1 ILE 44 8.233 2.850 3.760 334 2HG1 ILE 44 2HG1 ILE 44 7.219 3.228 4.963 335 1HG2 ILE 44 1HG2 ILE 44 6.948 0.654 4.713 336 2HG2 ILE 44 2HG2 ILE 44 8.377 0.336 3.811 337 3HG2 ILE 44 3HG2 ILE 44 8.011 -0.490 5.425 338 1HD1 ILE 44 1HD1 ILE 44 9.370 4.445 6.260 339 2HD1 ILE 44 2HD1 ILE 44 10.233 4.139 4.767 340 3HD1 ILE 44 3HD1 ILE 44 8.723 5.138 4.733 341 H ALA 45 H ALA 45 8.177 -0.535 8.644 342 HA ALA 45 HA ALA 45 5.289 -0.750 8.640 343 1HB ALA 45 1HB ALA 45 7.415 -2.075 10.203 344 2HB ALA 45 2HB ALA 45 5.714 -2.068 10.851 345 3HB ALA 45 3HB ALA 45 6.067 -2.739 9.262 346 HA PRO 46 HA PRO 46 5.028 2.042 12.622 347 1HB PRO 46 1HB PRO 46 7.529 3.333 13.338 348 2HB PRO 46 2HB PRO 46 6.614 1.995 14.202 349 1HG PRO 46 1HG PRO 46 9.065 1.997 12.332 350 2HG PRO 46 2HG PRO 46 8.748 0.894 13.602 351 1HD PRO 46 1HD PRO 46 8.177 0.033 11.038 352 2HD PRO 46 2HD PRO 46 7.396 -0.532 12.438 353 H ILE 47 H ILE 47 7.100 3.165 9.898 354 HA ILE 47 HA ILE 47 5.929 5.886 9.991 355 HB ILE 47 HB ILE 47 7.428 4.716 7.686 356 1HG1 ILE 47 1HG1 ILE 47 8.794 5.307 9.521 357 2HG1 ILE 47 2HG1 ILE 47 9.165 6.305 8.200 358 1HG2 ILE 47 1HG2 ILE 47 5.784 6.307 6.632 359 2HG2 ILE 47 2HG2 ILE 47 6.489 7.602 7.653 360 3HG2 ILE 47 3HG2 ILE 47 7.466 6.791 6.497 361 1HD1 ILE 47 1HD1 ILE 47 9.292 7.557 10.258 362 2HD1 ILE 47 2HD1 ILE 47 7.865 8.166 9.346 363 3HD1 ILE 47 3HD1 ILE 47 7.642 7.063 10.849 364 H PHE 48 H PHE 48 5.022 3.174 7.919 365 HA PHE 48 HA PHE 48 2.756 4.149 6.690 366 1HB PHE 48 1HB PHE 48 4.110 1.774 6.674 367 2HB PHE 48 2HB PHE 48 3.128 1.140 7.790 368 HD1 PHE 48 1HD PHE 48 1.731 -0.452 6.651 369 HD2 PHE 48 2HD PHE 48 2.674 3.193 4.661 370 HE1 PHE 48 1HE PHE 48 0.439 -1.138 4.569 371 HE2 PHE 48 2HE PHE 48 1.384 2.507 2.660 372 HZ PHE 48 HZ PHE 48 0.364 0.297 2.591 373 H ALA 49 H ALA 49 2.858 2.596 9.988 374 HA ALA 49 HA ALA 49 0.028 3.054 10.708 375 1HB ALA 49 1HB ALA 49 1.381 1.271 11.746 376 2HB ALA 49 2HB ALA 49 2.482 2.505 12.368 377 3HB ALA 49 3HB ALA 49 0.689 2.408 12.880 378 H GLU 50 H GLU 50 2.936 5.172 11.457 379 HA GLU 50 HA GLU 50 1.432 7.178 12.898 380 1HB GLU 50 1HB GLU 50 3.941 6.914 12.944 381 2HB GLU 50 2HB GLU 50 4.035 7.469 11.271 382 1HG GLU 50 1HG GLU 50 2.914 9.249 13.547 383 2HG GLU 50 2HG GLU 50 4.668 9.107 13.352 384 HE2 GLU 50 HE GLU 50 3.923 12.128 11.622 385 H LEU 51 H LEU 51 2.235 7.257 9.651 386 HA LEU 51 HA LEU 51 0.588 9.693 8.851 387 1HB LEU 51 1HB LEU 51 2.656 9.121 7.786 388 2HB LEU 51 2HB LEU 51 2.373 7.481 7.546 389 HG LEU 51 HG LEU 51 2.462 8.854 5.491 390 1HD1 LEU 51 1HD1 LEU 51 -0.065 7.328 5.761 391 2HD1 LEU 51 2HD1 LEU 51 0.885 7.645 4.263 392 3HD1 LEU 51 3HD1 LEU 51 1.611 6.551 5.433 393 1HD2 LEU 51 1HD2 LEU 51 0.464 10.626 6.628 394 2HD2 LEU 51 2HD2 LEU 51 0.613 10.258 4.808 395 3HD2 LEU 51 3HD2 LEU 51 -0.537 9.441 5.958 396 H ALA 52 H ALA 52 -0.116 6.045 8.808 397 HA ALA 52 HA ALA 52 -2.939 6.272 7.782 398 1HB ALA 52 1HB ALA 52 -2.034 4.002 8.007 399 2HB ALA 52 2HB ALA 52 -1.754 4.182 9.797 400 3HB ALA 52 3HB ALA 52 -3.366 4.296 9.160 401 H LYS 53 H LYS 53 -1.673 6.778 10.967 402 HA LYS 53 HA LYS 53 -4.313 7.526 12.193 403 1HB LYS 53 1HB LYS 53 -1.384 7.716 13.413 404 2HB LYS 53 2HB LYS 53 -2.888 8.260 14.209 405 1HG LYS 53 1HG LYS 53 -3.864 6.153 14.334 406 2HG LYS 53 2HG LYS 53 -2.686 5.363 13.352 407 1HD LYS 53 1HD LYS 53 -2.286 6.800 16.118 408 2HD LYS 53 2HD LYS 53 -2.505 5.059 15.901 409 1HE LYS 53 1HE LYS 53 -0.209 5.127 14.624 410 2HE LYS 53 2HE LYS 53 -0.192 6.803 15.024 411 1HZ LYS 53 1HZ LYS 53 1.020 6.230 16.678 412 2HZ LYS 53 2HZ LYS 53 -0.380 6.148 17.539 413 H LYS 54 H LYS 54 -1.852 9.304 10.519 414 HA LYS 54 HA LYS 54 -2.875 11.922 11.371 415 1HB LYS 54 1HB LYS 54 -0.461 11.059 10.506 416 2HB LYS 54 2HB LYS 54 -1.138 11.192 8.850 417 1HG LYS 54 1HG LYS 54 -1.681 13.588 9.161 418 2HG LYS 54 2HG LYS 54 -1.111 13.611 10.820 419 1HD LYS 54 1HD LYS 54 0.685 13.342 8.210 420 2HD LYS 54 2HD LYS 54 0.676 14.639 9.498 421 1HE LYS 54 1HE LYS 54 1.594 13.280 11.138 422 2HE LYS 54 2HE LYS 54 1.682 11.735 10.210 423 1HZ LYS 54 1HZ LYS 54 3.777 12.439 10.021 424 2HZ LYS 54 2HZ LYS 54 3.179 13.113 8.642 425 H PHE 55 H PHE 55 -3.642 9.637 8.918 426 HA PHE 55 HA PHE 55 -5.232 11.495 7.132 427 1HB PHE 55 1HB PHE 55 -2.870 9.762 6.659 428 2HB PHE 55 2HB PHE 55 -4.246 9.617 5.570 429 HD1 PHE 55 1HD PHE 55 -4.889 11.428 4.176 430 HD2 PHE 55 2HD PHE 55 -1.655 11.818 6.753 431 HE1 PHE 55 1HE PHE 55 -4.237 13.531 2.962 432 HE2 PHE 55 2HE PHE 55 -0.987 13.983 5.705 433 HZ PHE 55 HZ PHE 55 -2.146 14.692 3.623 434 HA PRO 56 HA PRO 56 -8.357 8.153 8.527 435 1HB PRO 56 1HB PRO 56 -10.455 9.693 8.687 436 2HB PRO 56 2HB PRO 56 -9.187 9.722 10.062 437 1HG PRO 56 1HG PRO 56 -9.546 11.670 7.682 438 2HG PRO 56 2HG PRO 56 -9.333 11.982 9.355 439 1HD PRO 56 1HD PRO 56 -7.474 11.935 7.361 440 2HD PRO 56 2HD PRO 56 -6.902 11.683 9.002 441 H ASN 57 H ASN 57 -8.100 9.327 5.555 442 HA ASN 57 HA ASN 57 -10.710 8.566 4.300 443 1HB ASN 57 1HB ASN 57 -10.228 9.921 2.441 444 2HB ASN 57 2HB ASN 57 -10.110 10.917 4.108 445 1HD2 ASN 57 1HD2 ASN 57 -7.996 11.949 4.456 446 2HD2 ASN 57 2HD2 ASN 57 -6.879 12.012 2.991 447 H VAL 58 H VAL 58 -8.178 7.009 5.132 448 HA VAL 58 HA VAL 58 -7.526 5.755 2.497 449 HB VAL 58 HB VAL 58 -6.414 7.810 2.488 450 1HG1 VAL 58 1HG1 VAL 58 -4.944 7.171 5.102 451 2HG1 VAL 58 2HG1 VAL 58 -4.321 8.086 3.950 452 3HG1 VAL 58 3HG1 VAL 58 -5.870 8.334 4.865 453 1HG2 VAL 58 1HG2 VAL 58 -4.233 7.077 1.811 454 2HG2 VAL 58 2HG2 VAL 58 -4.471 5.468 2.622 455 3HG2 VAL 58 3HG2 VAL 58 -5.426 5.905 1.236 456 H THR 59 H THR 59 -7.413 3.624 2.541 457 HA THR 59 HA THR 59 -6.921 2.052 4.997 458 HB THR 59 HB THR 59 -7.900 1.294 2.394 459 HG1 THR 59 1HG THR 59 -9.638 1.727 3.336 460 1HG2 THR 59 1HG2 THR 59 -8.308 -1.080 3.229 461 2HG2 THR 59 2HG2 THR 59 -6.618 -0.692 3.095 462 3HG2 THR 59 3HG2 THR 59 -7.455 -0.755 4.735 463 H PHE 60 H PHE 60 -5.236 0.636 4.944 464 HA PHE 60 HA PHE 60 -2.962 0.761 2.979 465 1HB PHE 60 1HB PHE 60 -2.885 1.078 6.125 466 2HB PHE 60 2HB PHE 60 -1.477 0.957 5.149 467 HD1 PHE 60 1HD PHE 60 -0.724 2.901 3.551 468 HD2 PHE 60 2HD PHE 60 -3.990 3.326 6.366 469 HE1 PHE 60 1HE PHE 60 -0.655 5.389 3.527 470 HE2 PHE 60 2HE PHE 60 -4.120 5.556 5.947 471 HZ PHE 60 HZ PHE 60 -2.262 6.713 4.697 472 H LEU 61 H LEU 61 -2.069 -1.116 2.576 473 HA LEU 61 HA LEU 61 -2.374 -3.490 4.407 474 1HB LEU 61 1HB LEU 61 -3.540 -4.746 3.042 475 2HB LEU 61 2HB LEU 61 -4.424 -3.310 3.070 476 HG LEU 61 HG LEU 61 -3.225 -2.844 0.807 477 1HD1 LEU 61 1HD1 LEU 61 -3.596 -5.897 1.001 478 2HD1 LEU 61 2HD1 LEU 61 -3.060 -5.000 -0.529 479 3HD1 LEU 61 3HD1 LEU 61 -1.964 -4.995 0.899 480 1HD2 LEU 61 1HD2 LEU 61 -5.622 -2.738 1.317 481 2HD2 LEU 61 2HD2 LEU 61 -4.936 -3.200 -0.401 482 3HD2 LEU 61 3HD2 LEU 61 -5.683 -4.435 0.569 483 H LYS 62 H LYS 62 -1.271 -5.020 3.631 484 HA LYS 62 HA LYS 62 1.329 -4.604 2.143 485 1HB LYS 62 1HB LYS 62 2.956 -5.068 4.116 486 2HB LYS 62 2HB LYS 62 2.172 -3.493 4.201 487 1HG LYS 62 1HG LYS 62 0.528 -4.583 5.935 488 2HG LYS 62 2HG LYS 62 1.457 -6.068 5.732 489 1HD LYS 62 1HD LYS 62 3.560 -4.629 6.438 490 2HD LYS 62 2HD LYS 62 2.477 -3.328 6.865 491 1HE LYS 62 1HE LYS 62 1.214 -4.626 8.509 492 2HE LYS 62 2HE LYS 62 2.232 -6.071 8.130 493 1HZ LYS 62 1HZ LYS 62 3.215 -3.581 9.460 494 2HZ LYS 62 2HZ LYS 62 4.086 -4.941 9.192 495 H VAL 63 H VAL 63 1.916 -6.023 1.250 496 HA VAL 63 HA VAL 63 1.037 -8.854 1.544 497 HB VAL 63 HB VAL 63 1.893 -7.289 -0.803 498 1HG1 VAL 63 1HG1 VAL 63 1.463 -9.496 -2.281 499 2HG1 VAL 63 2HG1 VAL 63 3.002 -9.278 -1.467 500 3HG1 VAL 63 3HG1 VAL 63 1.831 -10.449 -0.743 501 1HG2 VAL 63 1HG2 VAL 63 -0.101 -7.761 -1.948 502 2HG2 VAL 63 2HG2 VAL 63 -0.607 -8.614 -0.681 503 3HG2 VAL 63 3HG2 VAL 63 -0.239 -6.866 -0.349 504 H ASP 64 H ASP 64 2.409 -10.303 2.414 505 HA ASP 64 HA ASP 64 5.348 -10.268 2.485 506 1HB ASP 64 1HB ASP 64 3.627 -11.466 3.847 507 2HB ASP 64 2HB ASP 64 3.254 -12.558 2.530 508 HD2 ASP 64 HD ASP 64 6.059 -13.105 5.291 509 H VAL 65 H VAL 65 6.063 -9.915 0.465 510 HA VAL 65 HA VAL 65 5.168 -10.759 -2.046 511 HB VAL 65 HB VAL 65 6.660 -9.019 -1.685 512 1HG1 VAL 65 1HG1 VAL 65 9.228 -9.308 -1.503 513 2HG1 VAL 65 2HG1 VAL 65 8.444 -10.289 -0.303 514 3HG1 VAL 65 3HG1 VAL 65 9.048 -11.087 -1.803 515 1HG2 VAL 65 1HG2 VAL 65 7.445 -10.979 -3.918 516 2HG2 VAL 65 2HG2 VAL 65 6.069 -9.760 -4.013 517 3HG2 VAL 65 3HG2 VAL 65 7.722 -9.297 -3.987 518 H ASP 66 H ASP 66 7.191 -12.774 -0.044 519 HA ASP 66 HA ASP 66 7.594 -14.941 -2.012 520 1HB ASP 66 1HB ASP 66 7.379 -15.094 1.080 521 2HB ASP 66 2HB ASP 66 7.948 -16.391 0.127 522 HD2 ASP 66 HD ASP 66 10.984 -15.227 -0.381 523 H GLU 67 H GLU 67 4.718 -14.339 -0.253 524 HA GLU 67 HA GLU 67 3.189 -16.724 -1.130 525 1HB GLU 67 1HB GLU 67 2.118 -14.096 -0.203 526 2HB GLU 67 2HB GLU 67 1.205 -15.435 -0.446 527 1HG GLU 67 1HG GLU 67 3.490 -15.260 1.700 528 2HG GLU 67 2HG GLU 67 1.747 -14.970 1.948 529 HE2 GLU 67 HE GLU 67 0.761 -18.334 1.538 530 H LEU 68 H LEU 68 3.636 -13.463 -2.498 531 HA LEU 68 HA LEU 68 1.689 -14.032 -4.756 532 1HB LEU 68 1HB LEU 68 1.562 -11.722 -2.715 533 2HB LEU 68 2HB LEU 68 0.647 -11.671 -4.246 534 HG LEU 68 HG LEU 68 0.090 -13.691 -1.966 535 1HD1 LEU 68 1HD1 LEU 68 -1.843 -12.481 -1.557 536 2HD1 LEU 68 2HD1 LEU 68 -0.623 -11.286 -1.329 537 3HD1 LEU 68 3HD1 LEU 68 -1.609 -11.258 -2.825 538 1HD2 LEU 68 1HD2 LEU 68 -0.452 -14.700 -4.162 539 2HD2 LEU 68 2HD2 LEU 68 -1.919 -14.200 -3.379 540 3HD2 LEU 68 3HD2 LEU 68 -1.300 -13.153 -4.601 541 H LYS 69 H LYS 69 4.111 -14.080 -5.038 542 HA LYS 69 HA LYS 69 5.673 -11.718 -5.841 543 1HB LYS 69 1HB LYS 69 7.372 -12.956 -6.779 544 2HB LYS 69 2HB LYS 69 6.996 -13.433 -5.175 545 1HG LYS 69 1HG LYS 69 6.022 -15.465 -5.621 546 2HG LYS 69 2HG LYS 69 5.930 -15.371 -7.322 547 1HD LYS 69 1HD LYS 69 8.492 -15.366 -7.408 548 2HD LYS 69 2HD LYS 69 8.579 -15.554 -5.673 549 1HE LYS 69 1HE LYS 69 7.131 -17.480 -7.760 550 2HE LYS 69 2HE LYS 69 8.916 -17.588 -7.320 551 1HZ LYS 69 1HZ LYS 69 8.031 -17.612 -5.002 552 2HZ LYS 69 2HZ LYS 69 6.530 -18.133 -5.538 553 H ALA 70 H ALA 70 3.817 -14.206 -7.611 554 HA ALA 70 HA ALA 70 4.260 -13.621 -10.438 555 1HB ALA 70 1HB ALA 70 2.271 -15.076 -10.921 556 2HB ALA 70 2HB ALA 70 3.568 -15.864 -9.776 557 3HB ALA 70 3HB ALA 70 2.189 -15.174 -9.014 558 H VAL 71 H VAL 71 1.656 -12.952 -8.364 559 HA VAL 71 HA VAL 71 0.410 -10.890 -9.946 560 HB VAL 71 HB VAL 71 -1.063 -11.857 -8.181 561 1HG1 VAL 71 1HG1 VAL 71 -0.972 -11.112 -5.868 562 2HG1 VAL 71 2HG1 VAL 71 0.799 -11.460 -6.435 563 3HG1 VAL 71 3HG1 VAL 71 0.102 -9.871 -6.297 564 1HG2 VAL 71 1HG2 VAL 71 -2.430 -9.786 -7.914 565 2HG2 VAL 71 2HG2 VAL 71 -1.028 -8.854 -8.411 566 3HG2 VAL 71 3HG2 VAL 71 -1.761 -9.953 -9.509 567 H ALA 72 H ALA 72 2.376 -10.341 -7.140 568 HA ALA 72 HA ALA 72 2.705 -7.529 -7.144 569 1HB ALA 72 1HB ALA 72 5.075 -7.830 -6.185 570 2HB ALA 72 2HB ALA 72 4.036 -9.316 -5.624 571 3HB ALA 72 3HB ALA 72 5.311 -9.336 -6.927 572 H GLU 73 H GLU 73 4.527 -9.878 -9.155 573 HA GLU 73 HA GLU 73 6.044 -8.013 -10.583 574 1HB GLU 73 1HB GLU 73 5.108 -10.932 -11.163 575 2HB GLU 73 2HB GLU 73 5.976 -10.095 -12.341 576 1HG GLU 73 1HG GLU 73 7.957 -9.941 -11.086 577 2HG GLU 73 2HG GLU 73 7.247 -10.536 -9.592 578 HE2 GLU 73 HE GLU 73 8.331 -12.792 -12.794 579 H GLU 74 H GLU 74 2.865 -9.367 -11.264 580 HA GLU 74 HA GLU 74 2.668 -8.042 -13.761 581 1HB GLU 74 1HB GLU 74 0.594 -8.618 -14.120 582 2HB GLU 74 2HB GLU 74 1.329 -10.006 -13.199 583 1HG GLU 74 1HG GLU 74 -0.033 -9.251 -11.231 584 2HG GLU 74 2HG GLU 74 -0.682 -7.933 -12.150 585 HE2 GLU 74 HE GLU 74 -2.566 -8.380 -12.747 586 H TRP 75 H TRP 75 1.142 -6.676 -10.744 587 HA TRP 75 HA TRP 75 0.517 -4.025 -11.830 588 1HB TRP 75 1HB TRP 75 1.669 -4.137 -9.049 589 2HB TRP 75 2HB TRP 75 0.424 -3.238 -9.719 590 HD1 TRP 75 HD TRP 75 0.699 -5.800 -7.477 591 HE1 TRP 75 1HE TRP 75 -1.319 -7.322 -7.165 592 HE3 TRP 75 3HE TRP 75 -1.518 -4.834 -11.776 593 HZ2 TRP 75 2HZ TRP 75 -3.720 -7.732 -8.530 594 HZ3 TRP 75 3HZ TRP 75 -3.544 -5.798 -12.311 595 HH2 TRP 75 HH TRP 75 -4.713 -7.326 -10.783 596 H ASN 76 H ASN 76 3.678 -5.085 -10.744 597 HA ASN 76 HA ASN 76 5.154 -4.840 -12.686 598 1HB ASN 76 1HB ASN 76 4.318 -2.936 -13.675 599 2HB ASN 76 2HB ASN 76 4.450 -1.798 -12.312 600 1HD2 ASN 76 1HD2 ASN 76 6.538 -0.743 -12.295 601 2HD2 ASN 76 2HD2 ASN 76 7.883 -0.968 -13.582 602 H VAL 77 H VAL 77 5.887 -5.921 -10.676 603 HA VAL 77 HA VAL 77 8.050 -4.554 -9.071 604 HB VAL 77 HB VAL 77 6.152 -6.534 -7.791 605 1HG1 VAL 77 1HG1 VAL 77 7.792 -4.586 -6.512 606 2HG1 VAL 77 2HG1 VAL 77 6.626 -5.689 -5.761 607 3HG1 VAL 77 3HG1 VAL 77 7.982 -6.357 -6.681 608 1HG2 VAL 77 1HG2 VAL 77 5.432 -3.578 -7.592 609 2HG2 VAL 77 2HG2 VAL 77 4.564 -4.823 -8.440 610 3HG2 VAL 77 3HG2 VAL 77 4.668 -4.955 -6.669 611 H GLU 78 H GLU 78 9.192 -5.393 -10.447 612 HA GLU 78 HA GLU 78 10.271 -8.138 -10.052 613 1HB GLU 78 1HB GLU 78 11.903 -7.669 -11.806 614 2HB GLU 78 2HB GLU 78 10.538 -6.745 -12.346 615 1HG GLU 78 1HG GLU 78 11.621 -4.602 -11.517 616 2HG GLU 78 2HG GLU 78 13.066 -5.479 -11.125 617 HE2 GLU 78 HE GLU 78 11.074 -4.216 -13.413 618 H ALA 79 H ALA 79 10.189 -5.299 -8.423 619 HA ALA 79 HA ALA 79 12.831 -5.598 -7.099 620 1HB ALA 79 1HB ALA 79 13.244 -3.235 -7.083 621 2HB ALA 79 2HB ALA 79 12.909 -3.789 -8.667 622 3HB ALA 79 3HB ALA 79 11.626 -2.938 -7.900 623 H MET 80 H MET 80 12.618 -5.706 -4.960 624 HA MET 80 HA MET 80 10.568 -4.675 -3.269 625 1HB MET 80 1HB MET 80 13.185 -6.458 -2.665 626 2HB MET 80 2HB MET 80 12.611 -5.382 -1.413 627 1HG MET 80 1HG MET 80 11.483 -7.598 -1.337 628 2HG MET 80 2HG MET 80 10.362 -6.430 -1.387 629 1HE MET 80 1HE MET 80 8.425 -7.377 -4.504 630 2HE MET 80 2HE MET 80 8.401 -6.794 -2.801 631 3HE MET 80 3HE MET 80 8.956 -5.761 -4.164 632 HA PRO 81 HA PRO 81 9.182 -3.490 -2.680 633 1HB PRO 81 1HB PRO 81 8.782 -2.917 -0.277 634 2HB PRO 81 2HB PRO 81 10.195 -3.837 -0.775 635 1HG PRO 81 2HG PRO 81 10.477 -1.085 0.310 636 2HG PRO 81 1HG PRO 81 11.521 -2.487 0.380 637 1HD PRO 81 1HD PRO 81 11.561 -0.261 -1.919 638 2HD PRO 81 2HD PRO 81 12.854 -1.462 -1.367 639 H THR 82 H THR 82 7.496 -2.982 -3.447 640 HA THR 82 HA THR 82 7.276 -0.078 -4.380 641 HB THR 82 HB THR 82 5.948 -2.593 -5.782 642 HG1 THR 82 1HG THR 82 8.334 -2.653 -5.897 643 1HG2 THR 82 1HG2 THR 82 5.586 -1.195 -7.634 644 2HG2 THR 82 2HG2 THR 82 4.806 -0.535 -6.139 645 3HG2 THR 82 3HG2 THR 82 6.474 0.036 -6.711 646 H PHE 83 H PHE 83 5.792 0.939 -3.931 647 HA PHE 83 HA PHE 83 3.365 0.187 -2.395 648 1HB PHE 83 1HB PHE 83 4.774 2.971 -2.852 649 2HB PHE 83 2HB PHE 83 3.132 2.620 -2.111 650 HD1 PHE 83 1HD PHE 83 6.545 2.881 -1.463 651 HD2 PHE 83 2HD PHE 83 3.003 1.118 0.403 652 HE1 PHE 83 1HE PHE 83 7.854 2.406 0.598 653 HE2 PHE 83 2HE PHE 83 4.349 1.350 2.508 654 HZ PHE 83 HZ PHE 83 6.436 1.751 2.606 655 H ILE 84 H ILE 84 1.453 0.261 -3.391 656 HA ILE 84 HA ILE 84 1.144 1.500 -6.129 657 HB ILE 84 HB ILE 84 0.934 -1.424 -5.381 658 1HG1 ILE 84 1HG1 ILE 84 1.337 -0.884 -8.250 659 2HG1 ILE 84 2HG1 ILE 84 2.498 -0.061 -7.205 660 1HG2 ILE 84 1HG2 ILE 84 -1.237 -0.262 -7.360 661 2HG2 ILE 84 2HG2 ILE 84 -0.771 -1.932 -7.135 662 3HG2 ILE 84 3HG2 ILE 84 -1.504 -1.159 -5.833 663 1HD1 ILE 84 1HD1 ILE 84 1.992 -3.033 -6.706 664 2HD1 ILE 84 2HD1 ILE 84 3.352 -2.308 -7.865 665 3HD1 ILE 84 3HD1 ILE 84 3.243 -1.986 -6.102 666 H PHE 85 H PHE 85 -0.699 2.172 -6.608 667 HA PHE 85 HA PHE 85 -2.351 3.061 -4.282 668 1HB PHE 85 1HB PHE 85 -1.061 4.795 -6.301 669 2HB PHE 85 2HB PHE 85 -2.246 5.439 -5.303 670 HD1 PHE 85 1HD PHE 85 1.191 4.082 -5.499 671 HD2 PHE 85 2HD PHE 85 -1.590 6.176 -3.167 672 HE1 PHE 85 1HE PHE 85 3.016 4.298 -3.736 673 HE2 PHE 85 2HE PHE 85 0.244 6.634 -1.454 674 HZ PHE 85 HZ PHE 85 2.516 5.427 -1.670 675 H LEU 86 H LEU 86 -4.444 3.480 -4.663 676 HA LEU 86 HA LEU 86 -5.647 3.247 -7.240 677 1HB LEU 86 1HB LEU 86 -5.158 0.764 -5.886 678 2HB LEU 86 2HB LEU 86 -6.576 1.214 -5.008 679 HG LEU 86 HG LEU 86 -7.065 -0.293 -6.353 680 1HD1 LEU 86 1HD1 LEU 86 -8.871 0.595 -7.910 681 2HD1 LEU 86 2HD1 LEU 86 -8.673 1.749 -6.442 682 3HD1 LEU 86 3HD1 LEU 86 -8.106 2.144 -8.050 683 1HD2 LEU 86 1HD2 LEU 86 -6.690 -0.865 -8.624 684 2HD2 LEU 86 2HD2 LEU 86 -6.182 0.643 -9.118 685 3HD2 LEU 86 3HD2 LEU 86 -5.111 -0.197 -8.016 686 H LYS 87 H LYS 87 -7.225 4.824 -7.026 687 HA LYS 87 HA LYS 87 -8.580 5.747 -4.617 688 1HB LYS 87 1HB LYS 87 -7.134 7.014 -6.547 689 2HB LYS 87 2HB LYS 87 -8.635 6.870 -7.434 690 1HG LYS 87 1HG LYS 87 -8.895 8.928 -6.597 691 2HG LYS 87 2HG LYS 87 -10.053 8.007 -5.738 692 1HD LYS 87 1HD LYS 87 -8.409 7.959 -3.692 693 2HD LYS 87 2HD LYS 87 -7.295 8.933 -4.651 694 1HE LYS 87 1HE LYS 87 -9.417 10.653 -4.986 695 2HE LYS 87 2HE LYS 87 -10.227 9.597 -3.833 696 1HZ LYS 87 1HZ LYS 87 -7.782 11.295 -3.497 697 2HZ LYS 87 2HZ LYS 87 -9.311 11.429 -2.879 698 H ASP 88 H ASP 88 -10.965 5.789 -4.645 699 HA ASP 88 HA ASP 88 -12.745 4.150 -6.225 700 1HB ASP 88 1HB ASP 88 -14.495 5.628 -5.552 701 2HB ASP 88 2HB ASP 88 -13.477 5.400 -4.240 702 HD2 ASP 88 HD ASP 88 -12.523 8.691 -4.038 703 H GLY 89 H GLY 89 -10.831 4.951 -8.069 704 1HA GLY 89 1HA GLY 89 -12.561 5.463 -10.501 705 2HA GLY 89 2HA GLY 89 -11.658 6.875 -10.093 706 H LYS 90 H LYS 90 -10.428 3.832 -9.673 707 HA LYS 90 HA LYS 90 -9.241 2.220 -10.593 708 1HB LYS 90 1HB LYS 90 -8.953 3.962 -13.132 709 2HB LYS 90 2HB LYS 90 -8.332 2.282 -13.009 710 1HG LYS 90 1HG LYS 90 -10.369 1.300 -13.167 711 2HG LYS 90 2HG LYS 90 -11.172 2.425 -12.111 712 1HD LYS 90 1HD LYS 90 -11.427 4.067 -13.744 713 2HD LYS 90 2HD LYS 90 -10.604 2.951 -14.934 714 1HE LYS 90 1HE LYS 90 -12.437 1.238 -14.706 715 2HE LYS 90 2HE LYS 90 -13.253 2.316 -13.495 716 1HZ LYS 90 1HZ LYS 90 -13.009 2.847 -16.387 717 2HZ LYS 90 2HZ LYS 90 -13.134 3.909 -15.249 718 H LEU 91 H LEU 91 -6.817 1.768 -11.603 719 HA LEU 91 HA LEU 91 -4.931 2.458 -9.674 720 1HB LEU 91 1HB LEU 91 -4.619 0.719 -11.438 721 2HB LEU 91 2HB LEU 91 -4.464 1.824 -12.709 722 HG LEU 91 HG LEU 91 -2.519 2.817 -12.028 723 1HD1 LEU 91 1HD1 LEU 91 -2.294 1.054 -9.635 724 2HD1 LEU 91 2HD1 LEU 91 -0.872 1.636 -10.508 725 3HD1 LEU 91 3HD1 LEU 91 -2.100 2.725 -9.784 726 1HD2 LEU 91 1HD2 LEU 91 -1.069 0.383 -12.459 727 2HD2 LEU 91 2HD2 LEU 91 -2.650 -0.283 -12.510 728 3HD2 LEU 91 3HD2 LEU 91 -2.089 0.965 -13.702 729 H VAL 92 H VAL 92 -4.328 4.397 -9.128 730 HA VAL 92 HA VAL 92 -3.915 6.736 -10.881 731 HB VAL 92 HB VAL 92 -3.536 8.152 -8.707 732 1HG1 VAL 92 1HG1 VAL 92 -6.234 6.895 -9.157 733 2HG1 VAL 92 2HG1 VAL 92 -5.914 8.534 -8.445 734 3HG1 VAL 92 3HG1 VAL 92 -5.633 8.180 -10.144 735 1HG2 VAL 92 1HG2 VAL 92 -4.918 5.840 -7.080 736 2HG2 VAL 92 2HG2 VAL 92 -3.194 6.140 -7.200 737 3HG2 VAL 92 3HG2 VAL 92 -4.260 7.481 -6.662 738 H ASP 93 H ASP 93 -1.779 4.827 -8.499 739 HA ASP 93 HA ASP 93 0.393 5.490 -10.439 740 1HB ASP 93 1HB ASP 93 -0.089 7.440 -8.812 741 2HB ASP 93 2HB ASP 93 0.618 6.460 -7.521 742 HD2 ASP 93 HD ASP 93 1.920 7.993 -7.247 743 H LYS 94 H LYS 94 2.473 4.840 -9.323 744 HA LYS 94 HA LYS 94 2.768 2.512 -7.424 745 1HB LYS 94 1HB LYS 94 3.607 1.065 -9.022 746 2HB LYS 94 2HB LYS 94 1.898 1.466 -9.202 747 1HG LYS 94 1HG LYS 94 2.837 3.052 -11.254 748 2HG LYS 94 2HG LYS 94 4.184 2.153 -11.209 749 1HD LYS 94 1HD LYS 94 2.375 0.024 -11.110 750 2HD LYS 94 2HD LYS 94 1.269 1.187 -11.841 751 1HE LYS 94 1HE LYS 94 3.967 0.223 -12.774 752 2HE LYS 94 2HE LYS 94 2.440 -0.368 -13.516 753 1HZ LYS 94 1HZ LYS 94 3.314 1.281 -15.049 754 2HZ LYS 94 2HZ LYS 94 3.590 2.329 -13.931 755 H THR 95 H THR 95 4.918 2.475 -6.579 756 HA THR 95 HA THR 95 7.068 4.088 -7.655 757 HB THR 95 HB THR 95 5.770 5.217 -5.184 758 HG1 THR 95 1HG THR 95 5.467 5.890 -7.765 759 1HG2 THR 95 1HG2 THR 95 8.192 5.560 -4.967 760 2HG2 THR 95 2HG2 THR 95 8.188 6.160 -6.640 761 3HG2 THR 95 3HG2 THR 95 7.381 7.098 -5.351 762 H VAL 96 H VAL 96 8.759 3.526 -6.593 763 HA VAL 96 HA VAL 96 8.795 1.317 -4.531 764 HB VAL 96 HB VAL 96 8.638 0.340 -6.686 765 1HG1 VAL 96 1HG1 VAL 96 10.912 2.024 -7.722 766 2HG1 VAL 96 2HG1 VAL 96 10.312 0.596 -8.508 767 3HG1 VAL 96 3HG1 VAL 96 9.277 1.935 -8.190 768 1HG2 VAL 96 1HG2 VAL 96 10.401 -0.681 -4.934 769 2HG2 VAL 96 2HG2 VAL 96 10.376 -1.155 -6.707 770 3HG2 VAL 96 3HG2 VAL 96 11.660 0.046 -6.040 771 H GLY 97 H GLY 97 9.800 1.844 -2.736 772 1HA GLY 97 1HA GLY 97 12.509 3.005 -2.588 773 2HA GLY 97 2HA GLY 97 11.350 4.321 -2.346 774 H ALA 98 H ALA 98 12.210 4.590 -0.278 775 HA ALA 98 HA ALA 98 10.936 3.368 2.047 776 1HB ALA 98 1HB ALA 98 13.793 2.439 1.386 777 2HB ALA 98 2HB ALA 98 13.053 2.405 3.005 778 3HB ALA 98 3HB ALA 98 12.412 1.323 1.776 779 H ASP 99 H ASP 99 10.645 5.405 2.436 780 HA ASP 99 HA ASP 99 12.855 6.777 3.884 781 1HB ASP 99 1HB ASP 99 12.981 7.731 1.373 782 2HB ASP 99 2HB ASP 99 11.334 8.236 1.623 783 HD2 ASP 99 HD ASP 99 13.497 11.107 1.691 784 H LYS 100 H LYS 100 12.093 7.835 5.444 785 HA LYS 100 HA LYS 100 9.447 7.938 6.622 786 1HB LYS 100 1HB LYS 100 10.193 9.267 8.481 787 2HB LYS 100 2HB LYS 100 11.440 7.975 7.996 788 1HG LYS 100 1HG LYS 100 12.373 10.122 6.470 789 2HG LYS 100 2HG LYS 100 11.512 11.050 7.633 790 1HD LYS 100 1HD LYS 100 12.521 10.253 9.668 791 2HD LYS 100 2HD LYS 100 13.350 9.005 8.625 792 1HE LYS 100 1HE LYS 100 14.748 11.050 7.687 793 2HE LYS 100 2HE LYS 100 13.839 12.054 8.783 794 1HZ LYS 100 1HZ LYS 100 15.435 9.669 9.594 795 2HZ LYS 100 2HZ LYS 100 16.072 11.165 9.519 796 H ASP 101 H ASP 101 10.934 10.846 5.161 797 HA ASP 101 HA ASP 101 8.522 12.337 5.268 798 1HB ASP 101 1HB ASP 101 9.654 14.225 4.391 799 2HB ASP 101 2HB ASP 101 10.714 13.389 5.506 800 HD2 ASP 101 HD ASP 101 11.663 12.894 1.751 801 H GLY 102 H GLY 102 9.962 10.258 2.962 802 1HA GLY 102 1HA GLY 102 8.938 11.026 0.289 803 2HA GLY 102 2HA GLY 102 9.502 9.553 0.665 804 H LEU 103 H LEU 103 7.825 8.501 2.510 805 HA LEU 103 HA LEU 103 5.501 7.762 0.891 806 1HB LEU 103 1HB LEU 103 6.712 6.164 2.208 807 2HB LEU 103 2HB LEU 103 6.397 7.059 3.681 808 HG LEU 103 HG LEU 103 4.022 6.402 3.615 809 1HD1 LEU 103 1HD1 LEU 103 3.360 4.630 1.822 810 2HD1 LEU 103 2HD1 LEU 103 3.319 6.295 1.223 811 3HD1 LEU 103 3HD1 LEU 103 4.720 5.200 0.838 812 1HD2 LEU 103 1HD2 LEU 103 4.316 3.911 3.831 813 2HD2 LEU 103 2HD2 LEU 103 5.904 4.081 3.120 814 3HD2 LEU 103 3HD2 LEU 103 5.541 4.805 4.733 815 HA PRO 104 HA PRO 104 2.790 10.747 4.082 816 1HB PRO 104 1HB PRO 104 5.345 12.277 4.739 817 2HB PRO 104 2HB PRO 104 3.862 12.148 5.646 818 1HG PRO 104 1HG PRO 104 5.805 10.522 6.529 819 2HG PRO 104 2HG PRO 104 4.268 9.777 6.332 820 1HD PRO 104 1HD PRO 104 6.554 9.859 4.432 821 2HD PRO 104 2HD PRO 104 5.623 8.406 5.058 822 H THR 105 H THR 105 5.533 11.896 2.171 823 HA THR 105 HA THR 105 4.122 14.287 1.144 824 HB THR 105 HB THR 105 6.542 12.774 -0.028 825 HG1 THR 105 1HG THR 105 6.170 14.550 2.075 826 1HG2 THR 105 1HG2 THR 105 5.675 14.227 -1.824 827 2HG2 THR 105 2HG2 THR 105 5.088 15.471 -0.787 828 3HG2 THR 105 3HG2 THR 105 6.891 15.331 -1.028 829 H LEU 106 H LEU 106 4.954 11.367 -0.655 830 HA LEU 106 HA LEU 106 3.274 11.298 -2.799 831 1HB LEU 106 1HB LEU 106 5.233 10.091 -2.652 832 2HB LEU 106 2HB LEU 106 4.793 9.042 -1.516 833 HG LEU 106 HG LEU 106 2.945 7.986 -2.798 834 1HD1 LEU 106 1HD1 LEU 106 3.089 8.114 -5.287 835 2HD1 LEU 106 2HD1 LEU 106 2.933 9.747 -4.714 836 3HD1 LEU 106 3HD1 LEU 106 4.544 9.059 -5.184 837 1HD2 LEU 106 1HD2 LEU 106 4.282 6.416 -3.725 838 2HD2 LEU 106 2HD2 LEU 106 5.786 7.459 -3.824 839 3HD2 LEU 106 3HD2 LEU 106 5.030 6.630 -2.219 840 H VAL 107 H VAL 107 2.330 9.958 0.270 841 HA VAL 107 HA VAL 107 -0.518 9.319 -0.621 842 HB VAL 107 HB VAL 107 0.958 9.146 1.959 843 1HG1 VAL 107 1HG1 VAL 107 -1.342 10.083 2.727 844 2HG1 VAL 107 2HG1 VAL 107 -2.150 8.640 1.974 845 3HG1 VAL 107 3HG1 VAL 107 -0.883 8.596 3.404 846 1HG2 VAL 107 1HG2 VAL 107 0.068 6.928 2.048 847 2HG2 VAL 107 2HG2 VAL 107 -0.801 7.237 0.341 848 3HG2 VAL 107 3HG2 VAL 107 1.003 7.292 0.534 849 H ALA 108 H ALA 108 0.809 12.078 1.522 850 HA ALA 108 HA ALA 108 -1.455 13.586 1.777 851 1HB ALA 108 1HB ALA 108 -0.076 15.642 1.965 852 2HB ALA 108 2HB ALA 108 0.704 14.250 2.803 853 3HB ALA 108 3HB ALA 108 1.282 14.809 1.138 854 H LYS 109 H LYS 109 0.868 13.813 -0.965 855 HA LYS 109 HA LYS 109 -0.557 15.474 -2.741 856 1HB LYS 109 1HB LYS 109 1.471 13.261 -3.395 857 2HB LYS 109 2HB LYS 109 0.865 14.112 -4.689 858 1HG LYS 109 1HG LYS 109 1.777 16.382 -3.742 859 2HG LYS 109 2HG LYS 109 2.217 15.481 -2.324 860 1HD LYS 109 1HD LYS 109 3.803 14.110 -3.226 861 2HD LYS 109 2HD LYS 109 3.280 14.531 -5.025 862 1HE LYS 109 1HE LYS 109 4.116 16.827 -4.873 863 2HE LYS 109 2HE LYS 109 4.402 16.817 -3.159 864 1HZ LYS 109 1HZ LYS 109 6.257 15.191 -3.440 865 2HZ LYS 109 2HZ LYS 109 5.656 14.794 -4.975 866 H HIS 110 H HIS 110 -1.074 12.033 -2.408 867 HA HIS 110 HA HIS 110 -3.104 11.819 -4.598 868 1HB HIS 110 1HB HIS 110 -1.680 9.964 -2.636 869 2HB HIS 110 2HB HIS 110 -3.237 9.420 -3.289 870 HD1 HIS 110 1HD HIS 110 -2.983 9.688 -6.383 871 HD2 HIS 110 2HD HIS 110 0.273 8.995 -3.695 872 HE1 HIS 110 1HE HIS 110 -0.970 9.038 -7.652 873 H ALA 111 H ALA 111 -3.236 11.327 -1.188 874 HA ALA 111 HA ALA 111 -5.974 11.163 -0.737 875 1HB ALA 111 1HB ALA 111 -5.635 11.443 1.499 876 2HB ALA 111 2HB ALA 111 -4.056 10.698 1.057 877 3HB ALA 111 3HB ALA 111 -4.198 12.412 1.162 878 H THR 112 H THR 112 -4.379 14.222 -0.661 879 HA THR 112 HA THR 112 -6.877 15.824 -0.129 880 HB THR 112 HB THR 112 -4.143 16.769 -1.255 881 HG1 THR 112 1HG THR 112 -5.268 16.890 1.323 882 1HG2 THR 112 1HG2 THR 112 -5.941 18.452 -1.684 883 2HG2 THR 112 2HG2 THR 112 -6.388 18.405 0.046 884 3HG2 THR 112 3HG2 THR 112 -4.792 19.082 -0.473 885 H ALA 113 H ALA 113 -5.100 15.318 -3.272 886 HA ALA 113 HA ALA 113 -7.104 16.686 -4.838 887 1HB ALA 113 1HB ALA 113 -4.745 15.075 -5.766 888 2HB ALA 113 2HB ALA 113 -5.724 16.039 -6.920 889 3HB ALA 113 3HB ALA 113 -4.749 16.875 -5.630 890 HXT ALA 113 HO ALA 113 -9.321 14.166 -5.157
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