NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
525527 | 2las | 17536 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLU 20 HT1 GLU 20 16.466 0.512 -3.872 2 H2 GLU 20 HT2 GLU 20 15.994 -1.080 -4.191 3 H3 GLU 20 HT3 GLU 20 17.572 -0.754 -3.678 4 HA GLU 20 HA GLU 20 16.252 -1.677 -1.892 5 HB2 GLU 20 HB2 GLU 20 17.195 1.170 -1.693 6 HB3 GLU 20 HB1 GLU 20 16.532 0.338 -0.293 7 HG2 GLU 20 HG2 GLU 20 18.909 -0.560 -1.907 8 HG3 GLU 20 HG1 GLU 20 18.966 0.240 -0.337 9 H TYR 21 HN TYR 21 15.151 1.695 -2.243 10 HA TYR 21 HA TYR 21 12.504 0.856 -1.333 11 HB2 TYR 21 HB2 TYR 21 13.920 3.499 -1.465 12 HB3 TYR 21 HB1 TYR 21 12.168 3.435 -1.314 13 HD1 TYR 21 HD1 TYR 21 11.258 1.947 0.628 14 HD2 TYR 21 HD2 TYR 21 15.222 3.475 0.453 15 HE1 TYR 21 HE1 TYR 21 11.460 1.676 3.061 16 HE2 TYR 21 HE2 TYR 21 15.437 3.207 2.888 17 HH TYR 21 HH TYR 21 13.174 1.444 4.746 18 H ILE 22 HN ILE 22 10.686 1.033 -2.512 19 HA ILE 22 HA ILE 22 10.974 1.960 -5.295 20 HB ILE 22 HB ILE 22 9.086 0.440 -5.850 21 HG12 ILE 22 HG12 ILE 22 9.545 -0.767 -3.117 22 HG13 ILE 22 HG11 ILE 22 8.216 0.331 -3.478 23 HG21 ILE 22 HG21 ILE 22 10.397 -1.634 -5.786 24 HG22 ILE 22 HG22 ILE 22 11.505 -0.886 -4.634 25 HG23 ILE 22 HG23 ILE 22 11.373 -0.248 -6.273 26 HD11 ILE 22 HD11 ILE 22 7.365 -1.243 -5.131 27 HD12 ILE 22 HD12 ILE 22 7.497 -1.986 -3.536 28 HD13 ILE 22 HD13 ILE 22 8.701 -2.340 -4.776 29 H LYS 23 HN LYS 23 9.232 3.132 -6.217 30 HA LYS 23 HA LYS 23 7.745 4.667 -4.241 31 HB2 LYS 23 HB2 LYS 23 9.002 5.768 -6.118 32 HB3 LYS 23 HB1 LYS 23 7.834 5.073 -7.232 33 HG2 LYS 23 HG2 LYS 23 6.045 6.267 -5.903 34 HG3 LYS 23 HG1 LYS 23 7.355 7.130 -5.097 35 HD2 LYS 23 HD2 LYS 23 6.862 7.096 -8.075 36 HD3 LYS 23 HD1 LYS 23 6.405 8.402 -6.982 37 HE2 LYS 23 HE2 LYS 23 8.779 8.695 -6.386 38 HE3 LYS 23 HE1 LYS 23 9.207 7.433 -7.540 39 HZ1 LYS 23 HZ1 LYS 23 8.232 8.806 -9.303 40 HZ2 LYS 23 HZ2 LYS 23 9.513 9.592 -8.526 41 HZ3 LYS 23 HZ3 LYS 23 7.917 10.031 -8.178 42 H LEU 24 HN LEU 24 5.909 3.769 -3.578 43 HA LEU 24 HA LEU 24 4.164 2.482 -5.563 44 HB2 LEU 24 HB2 LEU 24 4.274 2.253 -2.556 45 HB3 LEU 24 HB1 LEU 24 2.991 1.560 -3.530 46 HG LEU 24 HG LEU 24 5.911 0.829 -3.758 47 HD11 LEU 24 HD11 LEU 24 4.997 0.096 -1.633 48 HD12 LEU 24 HD12 LEU 24 5.239 -1.283 -2.706 49 HD13 LEU 24 HD13 LEU 24 3.619 -0.634 -2.457 50 HD21 LEU 24 HD21 LEU 24 4.788 0.503 -5.853 51 HD22 LEU 24 HD22 LEU 24 3.431 -0.290 -5.054 52 HD23 LEU 24 HD23 LEU 24 5.012 -1.070 -5.088 53 H LYS 25 HN LYS 25 2.767 3.896 -6.384 54 HA LYS 25 HA LYS 25 1.826 6.145 -4.836 55 HB2 LYS 25 HB2 LYS 25 1.430 5.237 -7.668 56 HB3 LYS 25 HB1 LYS 25 0.437 6.518 -6.989 57 HG2 LYS 25 HG2 LYS 25 2.493 7.778 -6.458 58 HG3 LYS 25 HG1 LYS 25 3.434 6.517 -7.260 59 HD2 LYS 25 HD2 LYS 25 2.412 6.984 -9.361 60 HD3 LYS 25 HD1 LYS 25 1.220 8.049 -8.612 61 HE2 LYS 25 HE2 LYS 25 2.989 9.607 -7.992 62 HE3 LYS 25 HE1 LYS 25 4.195 8.535 -8.701 63 HZ1 LYS 25 HZ1 LYS 25 3.187 8.858 -10.859 64 HZ2 LYS 25 HZ2 LYS 25 3.599 10.355 -10.189 65 HZ3 LYS 25 HZ3 LYS 25 1.986 9.847 -10.192 66 H VAL 26 HN VAL 26 0.477 5.520 -3.246 67 HA VAL 26 HA VAL 26 -1.713 3.692 -3.831 68 HB VAL 26 HB VAL 26 -0.990 5.047 -1.222 69 HG11 VAL 26 HG11 VAL 26 -3.332 4.410 -1.307 70 HG12 VAL 26 HG12 VAL 26 -2.450 3.355 -0.202 71 HG13 VAL 26 HG13 VAL 26 -2.890 2.779 -1.811 72 HG21 VAL 26 HG21 VAL 26 0.775 3.541 -1.965 73 HG22 VAL 26 HG22 VAL 26 -0.405 2.251 -2.197 74 HG23 VAL 26 HG23 VAL 26 -0.074 2.863 -0.577 75 H ILE 27 HN ILE 27 -3.197 4.713 -5.035 76 HA ILE 27 HA ILE 27 -4.138 7.366 -4.220 77 HB ILE 27 HB ILE 27 -4.479 5.810 -6.778 78 HG12 ILE 27 HG12 ILE 27 -3.121 8.429 -6.103 79 HG13 ILE 27 HG11 ILE 27 -2.310 6.911 -6.472 80 HG21 ILE 27 HG21 ILE 27 -5.645 8.487 -6.030 81 HG22 ILE 27 HG22 ILE 27 -6.552 6.989 -6.239 82 HG23 ILE 27 HG23 ILE 27 -5.734 7.725 -7.618 83 HD11 ILE 27 HD11 ILE 27 -2.255 8.417 -8.369 84 HD12 ILE 27 HD12 ILE 27 -4.016 8.515 -8.363 85 HD13 ILE 27 HD13 ILE 27 -3.220 6.987 -8.739 86 H GLY 28 HN GLY 28 -5.907 7.492 -3.046 87 HA2 GLY 28 HA2 GLY 28 -7.640 5.222 -2.684 88 HA3 GLY 28 HA1 GLY 28 -7.800 6.793 -1.915 89 H GLN 29 HN GLN 29 -10.126 6.397 -2.340 90 HA GLN 29 HA GLN 29 -10.804 7.082 -5.123 91 HB2 GLN 29 HB2 GLN 29 -11.585 4.841 -3.887 92 HB3 GLN 29 HB1 GLN 29 -12.881 5.909 -3.354 93 HG2 GLN 29 HG2 GLN 29 -13.345 4.623 -5.444 94 HG3 GLN 29 HG1 GLN 29 -13.534 6.374 -5.579 95 HE21 GLN 29 HE21 GLN 29 -12.552 7.342 -7.210 96 HE22 GLN 29 HE22 GLN 29 -11.265 6.683 -8.156 97 H ASP 30 HN ASP 30 -10.107 9.109 -3.462 98 HA ASP 30 HA ASP 30 -12.407 10.782 -3.562 99 HB2 ASP 30 HB2 ASP 30 -12.315 11.359 -1.075 100 HB3 ASP 30 HB1 ASP 30 -13.060 9.820 -1.491 101 H SER 31 HN SER 31 -9.654 10.562 -4.474 102 HA SER 31 HA SER 31 -7.995 11.959 -5.081 103 HB2 SER 31 HB2 SER 31 -9.686 13.736 -5.127 104 HB3 SER 31 HB1 SER 31 -9.419 14.036 -3.410 105 HG SER 31 HG SER 31 -7.070 14.224 -4.299 106 H SER 32 HN SER 32 -8.208 10.533 -2.328 107 HA SER 32 HA SER 32 -6.209 11.939 -0.765 108 HB2 SER 32 HB2 SER 32 -7.943 10.773 0.460 109 HB3 SER 32 HB1 SER 32 -7.614 9.275 -0.410 110 HG SER 32 HG SER 32 -5.359 10.155 0.733 111 H GLU 33 HN GLU 33 -4.243 11.908 -1.880 112 HA GLU 33 HA GLU 33 -3.302 9.215 -2.664 113 HB2 GLU 33 HB2 GLU 33 -3.440 10.937 -4.482 114 HB3 GLU 33 HB1 GLU 33 -2.222 11.871 -3.623 115 HG2 GLU 33 HG2 GLU 33 -0.628 10.047 -3.870 116 HG3 GLU 33 HG1 GLU 33 -1.847 9.082 -4.698 117 H ILE 34 HN ILE 34 -1.243 8.521 -2.028 118 HA ILE 34 HA ILE 34 0.282 10.236 -0.229 119 HB ILE 34 HB ILE 34 -0.556 7.450 0.606 120 HG12 ILE 34 HG12 ILE 34 -1.438 10.138 1.688 121 HG13 ILE 34 HG11 ILE 34 -2.444 9.001 0.798 122 HG21 ILE 34 HG21 ILE 34 1.682 8.112 1.365 123 HG22 ILE 34 HG22 ILE 34 0.551 7.960 2.710 124 HG23 ILE 34 HG23 ILE 34 0.996 9.557 2.109 125 HD11 ILE 34 HD11 ILE 34 -1.268 8.624 3.538 126 HD12 ILE 34 HD12 ILE 34 -2.119 7.369 2.640 127 HD13 ILE 34 HD13 ILE 34 -2.967 8.839 3.119 128 H HIS 35 HN HIS 35 2.489 9.948 -0.440 129 HA HIS 35 HA HIS 35 3.335 7.931 -2.363 130 HB2 HIS 35 HB2 HIS 35 4.477 10.410 -1.258 131 HB3 HIS 35 HB1 HIS 35 5.652 9.129 -1.537 132 HD1 HIS 35 HD1 HIS 35 5.189 11.910 -3.211 133 HD2 HIS 35 HD2 HIS 35 4.262 8.023 -4.351 134 HE1 HIS 35 HE1 HIS 35 5.140 11.901 -5.740 135 H PHE 36 HN PHE 36 4.339 6.080 -1.918 136 HA PHE 36 HA PHE 36 5.033 5.526 0.896 137 HB2 PHE 36 HB2 PHE 36 3.629 3.906 -1.183 138 HB3 PHE 36 HB1 PHE 36 4.603 3.069 0.015 139 HD1 PHE 36 HD2 PHE 36 1.986 5.739 -0.105 140 HD2 PHE 36 HD1 PHE 36 3.531 2.296 1.863 141 HE1 PHE 36 HE2 PHE 36 0.093 5.786 1.465 142 HE2 PHE 36 HE1 PHE 36 1.637 2.335 3.430 143 HZ PHE 36 HZ PHE 36 -0.080 4.085 3.234 144 H LYS 37 HN LYS 37 7.022 4.755 1.350 145 HA LYS 37 HA LYS 37 8.680 3.799 -0.898 146 HB2 LYS 37 HB2 LYS 37 9.427 5.387 1.557 147 HB3 LYS 37 HB1 LYS 37 10.625 4.478 0.648 148 HG2 LYS 37 HG2 LYS 37 10.054 5.780 -1.360 149 HG3 LYS 37 HG1 LYS 37 8.917 6.725 -0.396 150 HD2 LYS 37 HD2 LYS 37 10.732 7.496 1.025 151 HD3 LYS 37 HD1 LYS 37 11.881 6.503 0.127 152 HE2 LYS 37 HE2 LYS 37 11.401 7.796 -1.899 153 HE3 LYS 37 HE1 LYS 37 10.267 8.795 -0.989 154 HZ1 LYS 37 HZ1 LYS 37 13.180 8.569 -0.456 155 HZ2 LYS 37 HZ2 LYS 37 12.093 9.533 0.409 156 HZ3 LYS 37 HZ3 LYS 37 12.416 9.873 -1.215 157 H VAL 38 HN VAL 38 8.698 1.636 -0.779 158 HA VAL 38 HA VAL 38 8.976 0.391 1.883 159 HB VAL 38 HB VAL 38 7.530 -0.788 -0.499 160 HG11 VAL 38 HG11 VAL 38 8.496 -2.485 0.946 161 HG12 VAL 38 HG12 VAL 38 6.738 -2.471 1.097 162 HG13 VAL 38 HG13 VAL 38 7.737 -1.742 2.354 163 HG21 VAL 38 HG21 VAL 38 6.322 1.134 0.437 164 HG22 VAL 38 HG22 VAL 38 6.365 0.373 2.027 165 HG23 VAL 38 HG23 VAL 38 5.469 -0.384 0.712 166 H LYS 39 HN LYS 39 10.470 -1.216 2.136 167 HA LYS 39 HA LYS 39 12.518 -1.454 0.141 168 HB2 LYS 39 HB2 LYS 39 12.081 -2.625 2.871 169 HB3 LYS 39 HB1 LYS 39 13.347 -3.263 1.832 170 HG2 LYS 39 HG2 LYS 39 14.460 -1.154 1.768 171 HG3 LYS 39 HG1 LYS 39 13.114 -0.361 2.589 172 HD2 LYS 39 HD2 LYS 39 13.543 -1.619 4.603 173 HD3 LYS 39 HD1 LYS 39 14.797 -2.558 3.790 174 HE2 LYS 39 HE2 LYS 39 16.185 -0.616 3.561 175 HE3 LYS 39 HE1 LYS 39 14.896 0.431 4.153 176 HZ1 LYS 39 HZ1 LYS 39 15.036 -0.679 6.300 177 HZ2 LYS 39 HZ2 LYS 39 16.524 0.001 5.874 178 HZ3 LYS 39 HZ3 LYS 39 16.286 -1.667 5.729 179 H MET 40 HN MET 40 13.192 -3.407 -0.893 180 HA MET 40 HA MET 40 10.973 -4.985 -1.814 181 HB2 MET 40 HB2 MET 40 13.919 -5.138 -2.464 182 HB3 MET 40 HB1 MET 40 12.664 -6.061 -3.278 183 HG2 MET 40 HG2 MET 40 11.638 -4.004 -4.068 184 HG3 MET 40 HG1 MET 40 12.857 -3.057 -3.217 185 HE1 MET 40 HE1 MET 40 16.113 -3.886 -5.184 186 HE2 MET 40 HE2 MET 40 15.539 -4.885 -3.851 187 HE3 MET 40 HE3 MET 40 15.400 -3.129 -3.759 188 H THR 41 HN THR 41 12.877 -5.216 0.868 189 HA THR 41 HA THR 41 12.941 -8.146 0.909 190 HB THR 41 HB THR 41 14.004 -6.363 3.092 191 HG1 THR 41 HG1 THR 41 16.041 -6.985 1.636 192 HG21 THR 41 HG21 THR 41 13.871 -8.763 3.553 193 HG22 THR 41 HG22 THR 41 15.551 -8.237 3.439 194 HG23 THR 41 HG23 THR 41 14.804 -9.102 2.095 195 H THR 42 HN THR 42 11.362 -5.395 2.355 196 HA THR 42 HA THR 42 10.147 -6.900 4.493 197 HB THR 42 HB THR 42 8.891 -4.822 4.958 198 HG1 THR 42 HG1 THR 42 9.208 -4.280 2.483 199 HG21 THR 42 HG21 THR 42 11.838 -4.361 4.478 200 HG22 THR 42 HG22 THR 42 11.140 -5.135 5.900 201 HG23 THR 42 HG23 THR 42 10.807 -3.435 5.569 202 H HIS 43 HN HIS 43 7.935 -7.371 4.719 203 HA HIS 43 HA HIS 43 6.648 -8.161 2.283 204 HB2 HIS 43 HB2 HIS 43 5.801 -8.327 5.177 205 HB3 HIS 43 HB1 HIS 43 4.815 -8.928 3.847 206 HD1 HIS 43 HD1 HIS 43 7.754 -9.797 5.942 207 HD2 HIS 43 HD2 HIS 43 5.881 -11.178 2.501 208 HE1 HIS 43 HE1 HIS 43 8.684 -12.107 5.506 209 H LEU 44 HN LEU 44 4.344 -7.668 1.844 210 HA LEU 44 HA LEU 44 3.962 -4.806 1.878 211 HB2 LEU 44 HB2 LEU 44 2.285 -7.009 0.684 212 HB3 LEU 44 HB1 LEU 44 1.981 -5.295 0.474 213 HG LEU 44 HG LEU 44 4.315 -6.883 -0.571 214 HD11 LEU 44 HD11 LEU 44 3.474 -6.409 -2.704 215 HD12 LEU 44 HD12 LEU 44 2.384 -5.166 -2.092 216 HD13 LEU 44 HD13 LEU 44 2.063 -6.866 -1.750 217 HD21 LEU 44 HD21 LEU 44 5.267 -4.836 0.155 218 HD22 LEU 44 HD22 LEU 44 3.908 -3.904 -0.471 219 HD23 LEU 44 HD23 LEU 44 5.022 -4.692 -1.587 220 H LYS 45 HN LYS 45 3.269 -7.177 4.045 221 HA LYS 45 HA LYS 45 0.617 -6.497 4.811 222 HB2 LYS 45 HB2 LYS 45 1.867 -8.629 5.402 223 HB3 LYS 45 HB1 LYS 45 2.738 -7.683 6.601 224 HG2 LYS 45 HG2 LYS 45 0.721 -7.210 7.792 225 HG3 LYS 45 HG1 LYS 45 -0.255 -7.951 6.523 226 HD2 LYS 45 HD2 LYS 45 0.819 -10.115 6.993 227 HD3 LYS 45 HD1 LYS 45 1.734 -9.359 8.300 228 HE2 LYS 45 HE2 LYS 45 -0.312 -8.839 9.478 229 HE3 LYS 45 HE1 LYS 45 -1.275 -9.459 8.138 230 HZ1 LYS 45 HZ1 LYS 45 -1.113 -11.060 9.937 231 HZ2 LYS 45 HZ2 LYS 45 0.574 -11.066 9.817 232 HZ3 LYS 45 HZ3 LYS 45 -0.366 -11.653 8.541 233 H LYS 46 HN LYS 46 3.812 -5.326 5.654 234 HA LYS 46 HA LYS 46 2.915 -3.664 7.805 235 HB2 LYS 46 HB2 LYS 46 5.507 -3.840 6.276 236 HB3 LYS 46 HB1 LYS 46 5.239 -2.640 7.533 237 HG2 LYS 46 HG2 LYS 46 5.071 -5.624 7.920 238 HG3 LYS 46 HG1 LYS 46 6.452 -4.612 8.352 239 HD2 LYS 46 HD2 LYS 46 5.067 -3.369 9.926 240 HD3 LYS 46 HD1 LYS 46 3.660 -4.326 9.466 241 HE2 LYS 46 HE2 LYS 46 4.868 -6.358 10.242 242 HE3 LYS 46 HE1 LYS 46 6.157 -5.311 10.835 243 HZ1 LYS 46 HZ1 LYS 46 4.609 -5.901 12.595 244 HZ2 LYS 46 HZ2 LYS 46 3.323 -5.232 11.724 245 HZ3 LYS 46 HZ3 LYS 46 4.564 -4.236 12.298 246 H LEU 47 HN LEU 47 3.288 -3.355 4.371 247 HA LEU 47 HA LEU 47 3.151 -0.516 4.202 248 HB2 LEU 47 HB2 LEU 47 3.866 -1.285 2.189 249 HB3 LEU 47 HB1 LEU 47 3.031 -2.813 2.365 250 HG LEU 47 HG LEU 47 1.007 -0.919 1.940 251 HD11 LEU 47 HD11 LEU 47 1.719 0.036 -0.249 252 HD12 LEU 47 HD12 LEU 47 3.367 -0.466 0.130 253 HD13 LEU 47 HD13 LEU 47 2.548 0.716 1.150 254 HD21 LEU 47 HD21 LEU 47 0.662 -2.142 -0.124 255 HD22 LEU 47 HD22 LEU 47 1.054 -3.253 1.189 256 HD23 LEU 47 HD23 LEU 47 2.280 -2.833 -0.006 257 H LYS 48 HN LYS 48 0.827 -3.129 4.256 258 HA LYS 48 HA LYS 48 -1.499 -1.610 3.700 259 HB2 LYS 48 HB2 LYS 48 -1.092 -4.176 3.620 260 HB3 LYS 48 HB1 LYS 48 -1.475 -4.133 5.333 261 HG2 LYS 48 HG2 LYS 48 -3.670 -3.236 4.853 262 HG3 LYS 48 HG1 LYS 48 -3.287 -3.170 3.130 263 HD2 LYS 48 HD2 LYS 48 -3.036 -5.593 3.077 264 HD3 LYS 48 HD1 LYS 48 -3.362 -5.677 4.808 265 HE2 LYS 48 HE2 LYS 48 -5.601 -4.738 4.409 266 HE3 LYS 48 HE1 LYS 48 -5.268 -4.718 2.678 267 HZ1 LYS 48 HZ1 LYS 48 -5.332 -7.143 4.393 268 HZ2 LYS 48 HZ2 LYS 48 -5.028 -7.119 2.730 269 HZ3 LYS 48 HZ3 LYS 48 -6.549 -6.666 3.317 270 H GLU 49 HN GLU 49 0.252 -2.449 6.626 271 HA GLU 49 HA GLU 49 -1.708 -1.547 8.481 272 HB2 GLU 49 HB2 GLU 49 1.258 -2.051 8.726 273 HB3 GLU 49 HB1 GLU 49 0.268 -1.531 10.083 274 HG2 GLU 49 HG2 GLU 49 -1.017 -3.532 10.008 275 HG3 GLU 49 HG1 GLU 49 -0.274 -4.019 8.486 276 H SER 50 HN SER 50 1.060 -0.041 6.905 277 HA SER 50 HA SER 50 1.108 2.340 8.416 278 HB2 SER 50 HB2 SER 50 2.066 1.775 5.601 279 HB3 SER 50 HB1 SER 50 2.426 3.250 6.498 280 HG SER 50 HG SER 50 3.495 1.975 8.042 281 H TYR 51 HN TYR 51 -0.568 1.482 5.411 282 HA TYR 51 HA TYR 51 -1.587 4.097 4.941 283 HB2 TYR 51 HB2 TYR 51 -1.332 2.327 3.186 284 HB3 TYR 51 HB1 TYR 51 -2.695 1.480 3.909 285 HD1 TYR 51 HD1 TYR 51 -1.937 4.990 2.831 286 HD2 TYR 51 HD2 TYR 51 -4.684 1.741 2.785 287 HE1 TYR 51 HE1 TYR 51 -3.483 6.324 1.464 288 HE2 TYR 51 HE2 TYR 51 -6.237 3.068 1.417 289 HH TYR 51 HH TYR 51 -5.323 6.037 -0.047 290 H CYS 52 HN CYS 52 -2.829 1.261 6.629 291 HA CYS 52 HA CYS 52 -5.477 2.221 6.947 292 HB2 CYS 52 HB2 CYS 52 -3.888 0.083 8.344 293 HB3 CYS 52 HB1 CYS 52 -5.545 0.462 8.803 294 HG CYS 52 HG CYS 52 -6.759 -0.516 6.655 295 H GLN 53 HN GLN 53 -2.581 2.509 8.978 296 HA GLN 53 HA GLN 53 -4.041 3.684 11.156 297 HB2 GLN 53 HB2 GLN 53 -1.850 4.068 12.183 298 HB3 GLN 53 HB1 GLN 53 -2.025 2.412 11.625 299 HG2 GLN 53 HG2 GLN 53 0.035 2.759 10.810 300 HG3 GLN 53 HG1 GLN 53 -0.843 3.496 9.472 301 HE21 GLN 53 HE21 GLN 53 0.836 4.860 8.936 302 HE22 GLN 53 HE22 GLN 53 1.288 6.213 9.910 303 H ARG 54 HN ARG 54 -2.373 4.892 8.347 304 HA ARG 54 HA ARG 54 -2.396 7.628 9.338 305 HB2 ARG 54 HB2 ARG 54 -0.506 6.610 7.969 306 HB3 ARG 54 HB1 ARG 54 -1.587 6.685 6.588 307 HG2 ARG 54 HG2 ARG 54 -0.160 8.582 6.501 308 HG3 ARG 54 HG1 ARG 54 -1.768 9.147 6.954 309 HD2 ARG 54 HD2 ARG 54 -0.143 10.272 8.317 310 HD3 ARG 54 HD1 ARG 54 -1.042 9.143 9.329 311 HE ARG 54 HE ARG 54 1.309 7.921 8.342 312 HH11 ARG 54 HH11 ARG 54 0.232 10.287 10.670 313 HH12 ARG 54 HH12 ARG 54 1.576 10.038 11.735 314 HH21 ARG 54 HH21 ARG 54 3.082 7.594 9.739 315 HH22 ARG 54 HH22 ARG 54 3.195 8.508 11.206 316 H GLN 55 HN GLN 55 -4.714 5.688 8.126 317 HA GLN 55 HA GLN 55 -6.053 7.940 6.780 318 HB2 GLN 55 HB2 GLN 55 -5.227 5.901 5.347 319 HB3 GLN 55 HB1 GLN 55 -6.655 5.114 6.002 320 HG2 GLN 55 HG2 GLN 55 -7.217 6.017 3.879 321 HG3 GLN 55 HG1 GLN 55 -8.020 6.992 5.109 322 HE21 GLN 55 HE21 GLN 55 -7.429 9.112 5.389 323 HE22 GLN 55 HE22 GLN 55 -6.382 9.950 4.301 324 H GLY 56 HN GLY 56 -6.197 5.590 9.263 325 HA2 GLY 56 HA2 GLY 56 -7.844 5.137 10.807 326 HA3 GLY 56 HA1 GLY 56 -8.690 6.546 10.199 327 H VAL 57 HN VAL 57 -7.905 3.286 8.967 328 HA VAL 57 HA VAL 57 -10.749 2.739 8.594 329 HB VAL 57 HB VAL 57 -8.747 2.710 6.321 330 HG11 VAL 57 HG11 VAL 57 -10.682 1.948 4.964 331 HG12 VAL 57 HG12 VAL 57 -11.589 1.723 6.459 332 HG13 VAL 57 HG13 VAL 57 -10.137 0.768 6.154 333 HG21 VAL 57 HG21 VAL 57 -10.272 4.321 5.287 334 HG22 VAL 57 HG22 VAL 57 -9.657 4.920 6.828 335 HG23 VAL 57 HG23 VAL 57 -11.296 4.276 6.722 336 HA PRO 58 HA PRO 58 -9.209 -1.120 10.225 337 HB2 PRO 58 HB2 PRO 58 -11.279 -2.704 9.457 338 HB3 PRO 58 HB1 PRO 58 -11.337 -1.614 10.852 339 HG2 PRO 58 HG2 PRO 58 -12.213 -1.073 8.055 340 HG3 PRO 58 HG1 PRO 58 -13.190 -0.895 9.511 341 HD2 PRO 58 HD2 PRO 58 -12.029 1.252 8.546 342 HD3 PRO 58 HD1 PRO 58 -11.823 0.909 10.280 343 H MET 59 HN MET 59 -7.952 -2.683 9.547 344 HA MET 59 HA MET 59 -6.688 -2.809 7.193 345 HB2 MET 59 HB2 MET 59 -6.197 -4.094 9.292 346 HB3 MET 59 HB1 MET 59 -7.386 -5.273 8.777 347 HG2 MET 59 HG2 MET 59 -5.296 -6.165 8.197 348 HG3 MET 59 HG1 MET 59 -5.998 -5.579 6.689 349 HE1 MET 59 HE1 MET 59 -4.508 -3.014 9.370 350 HE2 MET 59 HE2 MET 59 -2.789 -3.280 9.088 351 HE3 MET 59 HE3 MET 59 -3.791 -4.588 9.713 352 H ASN 60 HN ASN 60 -9.794 -4.311 7.817 353 HA ASN 60 HA ASN 60 -9.806 -5.820 5.369 354 HB2 ASN 60 HB2 ASN 60 -12.089 -6.444 6.021 355 HB3 ASN 60 HB1 ASN 60 -10.953 -6.678 7.345 356 HD21 ASN 60 HD21 ASN 60 -13.915 -5.478 6.516 357 HD22 ASN 60 HD22 ASN 60 -14.183 -4.426 7.861 358 H SER 61 HN SER 61 -11.797 -3.173 6.615 359 HA SER 61 HA SER 61 -13.575 -2.513 4.904 360 HB2 SER 61 HB2 SER 61 -12.852 -1.043 6.653 361 HB3 SER 61 HB1 SER 61 -11.479 -0.489 5.715 362 HG SER 61 HG SER 61 -14.171 0.148 5.594 363 H LEU 62 HN LEU 62 -10.172 -2.082 3.922 364 HA LEU 62 HA LEU 62 -11.145 -1.225 1.298 365 HB2 LEU 62 HB2 LEU 62 -8.276 -1.335 2.133 366 HB3 LEU 62 HB1 LEU 62 -9.004 -0.385 0.860 367 HG LEU 62 HG LEU 62 -9.280 0.097 3.827 368 HD11 LEU 62 HD11 LEU 62 -7.995 1.791 1.701 369 HD12 LEU 62 HD12 LEU 62 -7.102 0.609 2.657 370 HD13 LEU 62 HD13 LEU 62 -7.888 1.974 3.452 371 HD21 LEU 62 HD21 LEU 62 -10.372 2.237 2.994 372 HD22 LEU 62 HD22 LEU 62 -11.338 0.767 2.866 373 HD23 LEU 62 HD23 LEU 62 -10.542 1.427 1.437 374 H ARG 63 HN ARG 63 -8.908 -1.861 -0.193 375 HA ARG 63 HA ARG 63 -8.173 -4.601 -0.206 376 HB2 ARG 63 HB2 ARG 63 -10.462 -4.987 -0.983 377 HB3 ARG 63 HB1 ARG 63 -10.309 -3.698 -2.169 378 HG2 ARG 63 HG2 ARG 63 -8.453 -5.063 -3.215 379 HG3 ARG 63 HG1 ARG 63 -8.971 -6.385 -2.169 380 HD2 ARG 63 HD2 ARG 63 -10.884 -4.952 -3.990 381 HD3 ARG 63 HD1 ARG 63 -9.907 -6.301 -4.553 382 HE ARG 63 HE ARG 63 -11.257 -7.090 -2.231 383 HH11 ARG 63 HH11 ARG 63 -11.937 -6.224 -5.537 384 HH12 ARG 63 HH12 ARG 63 -13.355 -7.213 -5.645 385 HH21 ARG 63 HH21 ARG 63 -13.117 -8.420 -2.369 386 HH22 ARG 63 HH22 ARG 63 -14.025 -8.461 -3.842 387 H PHE 64 HN PHE 64 -6.312 -4.682 -1.440 388 HA PHE 64 HA PHE 64 -5.731 -2.308 -3.091 389 HB2 PHE 64 HB2 PHE 64 -3.732 -4.111 -1.715 390 HB3 PHE 64 HB1 PHE 64 -3.392 -2.598 -2.546 391 HD1 PHE 64 HD1 PHE 64 -5.508 -3.895 0.248 392 HD2 PHE 64 HD2 PHE 64 -3.129 -0.704 -1.274 393 HE1 PHE 64 HE1 PHE 64 -5.848 -2.653 2.358 394 HE2 PHE 64 HE2 PHE 64 -3.463 0.550 0.829 395 HZ PHE 64 HZ PHE 64 -4.827 -0.425 2.650 396 H LEU 65 HN LEU 65 -4.846 -2.547 -5.125 397 HA LEU 65 HA LEU 65 -4.568 -5.308 -6.101 398 HB2 LEU 65 HB2 LEU 65 -5.776 -3.094 -7.717 399 HB3 LEU 65 HB1 LEU 65 -5.712 -4.794 -8.111 400 HG LEU 65 HG LEU 65 -7.420 -3.542 -5.958 401 HD11 LEU 65 HD11 LEU 65 -9.244 -3.962 -7.444 402 HD12 LEU 65 HD12 LEU 65 -8.199 -4.824 -8.573 403 HD13 LEU 65 HD13 LEU 65 -8.013 -3.084 -8.352 404 HD21 LEU 65 HD21 LEU 65 -6.744 -5.794 -5.332 405 HD22 LEU 65 HD22 LEU 65 -7.204 -6.396 -6.926 406 HD23 LEU 65 HD23 LEU 65 -8.437 -5.787 -5.824 407 H PHE 66 HN PHE 66 -3.390 -5.582 -8.073 408 HA PHE 66 HA PHE 66 -1.677 -3.431 -9.007 409 HB2 PHE 66 HB2 PHE 66 -0.377 -4.375 -7.138 410 HB3 PHE 66 HB1 PHE 66 -0.546 -5.987 -7.826 411 HD1 PHE 66 HD1 PHE 66 0.459 -2.631 -9.120 412 HD2 PHE 66 HD2 PHE 66 1.393 -6.771 -8.755 413 HE1 PHE 66 HE1 PHE 66 2.503 -2.280 -10.465 414 HE2 PHE 66 HE2 PHE 66 3.442 -6.439 -10.101 415 HZ PHE 66 HZ PHE 66 3.998 -4.187 -10.961 416 H GLU 67 HN GLU 67 -0.989 -3.811 -11.134 417 HA GLU 67 HA GLU 67 -1.307 -4.603 -13.268 418 HB2 GLU 67 HB2 GLU 67 -0.708 -7.136 -11.733 419 HB3 GLU 67 HB1 GLU 67 -0.885 -7.113 -13.478 420 HG2 GLU 67 HG2 GLU 67 1.010 -5.558 -13.632 421 HG3 GLU 67 HG1 GLU 67 1.195 -5.632 -11.881 422 H GLY 68 HN GLY 68 -3.645 -4.302 -11.534 423 HA2 GLY 68 HA2 GLY 68 -5.914 -4.571 -12.016 424 HA3 GLY 68 HA1 GLY 68 -5.496 -5.860 -13.139 425 H GLN 69 HN GLN 69 -4.039 -7.563 -11.485 426 HA GLN 69 HA GLN 69 -6.208 -8.768 -10.058 427 HB2 GLN 69 HB2 GLN 69 -3.360 -9.624 -10.491 428 HB3 GLN 69 HB1 GLN 69 -4.505 -10.558 -9.536 429 HG2 GLN 69 HG2 GLN 69 -6.012 -10.490 -11.597 430 HG3 GLN 69 HG1 GLN 69 -4.581 -9.945 -12.470 431 HE21 GLN 69 HE21 GLN 69 -6.377 -12.558 -11.829 432 HE22 GLN 69 HE22 GLN 69 -5.187 -13.802 -11.971 433 H ARG 70 HN ARG 70 -6.338 -9.388 -7.945 434 HA ARG 70 HA ARG 70 -5.838 -7.489 -6.030 435 HB2 ARG 70 HB2 ARG 70 -7.497 -9.351 -5.949 436 HB3 ARG 70 HB1 ARG 70 -6.184 -10.432 -5.512 437 HG2 ARG 70 HG2 ARG 70 -5.916 -9.464 -3.429 438 HG3 ARG 70 HG1 ARG 70 -6.765 -7.987 -3.902 439 HD2 ARG 70 HD2 ARG 70 -8.815 -9.428 -4.216 440 HD3 ARG 70 HD1 ARG 70 -7.922 -10.713 -3.400 441 HE ARG 70 HE ARG 70 -7.726 -8.575 -1.722 442 HH11 ARG 70 HH11 ARG 70 -10.372 -10.301 -3.183 443 HH12 ARG 70 HH12 ARG 70 -11.467 -9.988 -1.878 444 HH21 ARG 70 HH21 ARG 70 -9.158 -8.146 0.001 445 HH22 ARG 70 HH22 ARG 70 -10.776 -8.757 -0.065 446 H ILE 71 HN ILE 71 -4.684 -7.835 -3.925 447 HA ILE 71 HA ILE 71 -1.962 -8.829 -4.445 448 HB ILE 71 HB ILE 71 -2.861 -6.428 -2.862 449 HG12 ILE 71 HG12 ILE 71 -0.902 -6.820 -5.138 450 HG13 ILE 71 HG11 ILE 71 -2.513 -6.123 -5.273 451 HG21 ILE 71 HG21 ILE 71 -1.243 -7.653 -1.511 452 HG22 ILE 71 HG22 ILE 71 -0.531 -6.167 -2.141 453 HG23 ILE 71 HG23 ILE 71 -0.133 -7.718 -2.880 454 HD11 ILE 71 HD11 ILE 71 -0.997 -4.323 -5.293 455 HD12 ILE 71 HD12 ILE 71 -0.098 -4.962 -3.919 456 HD13 ILE 71 HD13 ILE 71 -1.725 -4.323 -3.688 457 H ALA 72 HN ALA 72 -1.256 -10.369 -3.211 458 HA ALA 72 HA ALA 72 -2.725 -11.581 -1.143 459 HB1 ALA 72 HB1 ALA 72 -1.117 -12.821 -2.556 460 HB2 ALA 72 HB2 ALA 72 -0.771 -13.022 -0.838 461 HB3 ALA 72 HB3 ALA 72 0.209 -11.927 -1.812 462 H ASP 73 HN ASP 73 -2.215 -11.722 1.080 463 HA ASP 73 HA ASP 73 -1.420 -9.240 2.231 464 HB2 ASP 73 HB2 ASP 73 -3.159 -10.991 3.047 465 HB3 ASP 73 HB1 ASP 73 -1.770 -11.784 3.782 466 H ASN 74 HN ASN 74 0.206 -12.172 1.462 467 HA ASN 74 HA ASN 74 2.515 -11.480 3.145 468 HB2 ASN 74 HB2 ASN 74 1.724 -14.031 1.738 469 HB3 ASN 74 HB1 ASN 74 3.302 -13.799 2.481 470 HD21 ASN 74 HD21 ASN 74 1.592 -12.027 4.433 471 HD22 ASN 74 HD22 ASN 74 1.046 -13.191 5.583 472 H HIS 75 HN HIS 75 1.391 -10.908 0.147 473 HA HIS 75 HA HIS 75 3.386 -11.494 -1.667 474 HB2 HIS 75 HB2 HIS 75 1.057 -9.905 -1.603 475 HB3 HIS 75 HB1 HIS 75 2.349 -8.852 -2.163 476 HD1 HIS 75 HD1 HIS 75 3.929 -10.424 -4.038 477 HD2 HIS 75 HD2 HIS 75 -0.160 -10.983 -3.773 478 HE1 HIS 75 HE1 HIS 75 3.231 -11.452 -6.230 479 H THR 76 HN THR 76 4.809 -9.839 -2.752 480 HA THR 76 HA THR 76 5.890 -7.577 -1.475 481 HB THR 76 HB THR 76 7.500 -10.146 -1.140 482 HG1 THR 76 HG1 THR 76 7.454 -9.422 1.105 483 HG21 THR 76 HG21 THR 76 8.832 -8.148 -1.903 484 HG22 THR 76 HG22 THR 76 9.316 -8.803 -0.340 485 HG23 THR 76 HG23 THR 76 8.339 -7.337 -0.417 486 HA PRO 77 HA PRO 77 7.167 -7.151 -5.702 487 HB2 PRO 77 HB2 PRO 77 9.703 -6.167 -4.404 488 HB3 PRO 77 HB1 PRO 77 8.855 -5.524 -5.824 489 HG2 PRO 77 HG2 PRO 77 8.446 -4.308 -3.559 490 HG3 PRO 77 HG1 PRO 77 7.015 -4.784 -4.504 491 HD2 PRO 77 HD2 PRO 77 8.237 -6.169 -2.113 492 HD3 PRO 77 HD1 PRO 77 6.527 -5.815 -2.436 493 H LYS 78 HN LYS 78 8.751 -8.994 -3.354 494 HA LYS 78 HA LYS 78 10.830 -10.237 -4.785 495 HB2 LYS 78 HB2 LYS 78 10.566 -10.425 -2.338 496 HB3 LYS 78 HB1 LYS 78 9.044 -11.267 -2.554 497 HG2 LYS 78 HG2 LYS 78 10.273 -13.128 -3.629 498 HG3 LYS 78 HG1 LYS 78 11.785 -12.285 -3.276 499 HD2 LYS 78 HD2 LYS 78 11.330 -12.390 -0.897 500 HD3 LYS 78 HD1 LYS 78 9.751 -13.116 -1.201 501 HE2 LYS 78 HE2 LYS 78 10.889 -15.051 -2.243 502 HE3 LYS 78 HE1 LYS 78 12.442 -14.333 -1.820 503 HZ1 LYS 78 HZ1 LYS 78 10.332 -15.151 0.108 504 HZ2 LYS 78 HZ2 LYS 78 11.823 -14.464 0.516 505 HZ3 LYS 78 HZ3 LYS 78 11.767 -15.995 -0.202 506 H GLU 79 HN GLU 79 7.414 -10.401 -4.868 507 HA GLU 79 HA GLU 79 7.453 -12.759 -6.615 508 HB2 GLU 79 HB2 GLU 79 5.106 -11.700 -5.042 509 HB3 GLU 79 HB1 GLU 79 5.191 -13.214 -5.930 510 HG2 GLU 79 HG2 GLU 79 6.779 -12.517 -3.473 511 HG3 GLU 79 HG1 GLU 79 5.360 -13.563 -3.534 512 H LEU 80 HN LEU 80 6.297 -9.468 -6.209 513 HA LEU 80 HA LEU 80 4.797 -9.541 -8.688 514 HB2 LEU 80 HB2 LEU 80 5.209 -7.413 -6.619 515 HB3 LEU 80 HB1 LEU 80 4.332 -7.131 -8.112 516 HG LEU 80 HG LEU 80 3.571 -9.184 -6.031 517 HD11 LEU 80 HD11 LEU 80 3.252 -6.940 -5.170 518 HD12 LEU 80 HD12 LEU 80 1.691 -7.652 -5.578 519 HD13 LEU 80 HD13 LEU 80 2.426 -6.462 -6.652 520 HD21 LEU 80 HD21 LEU 80 2.527 -8.383 -8.708 521 HD22 LEU 80 HD22 LEU 80 1.405 -8.950 -7.471 522 HD23 LEU 80 HD23 LEU 80 2.722 -9.991 -8.013 523 H GLY 81 HN GLY 81 7.982 -8.817 -7.847 524 HA2 GLY 81 HA2 GLY 81 9.691 -7.743 -8.961 525 HA3 GLY 81 HA1 GLY 81 8.823 -8.228 -10.413 526 H MET 82 HN MET 82 7.431 -6.106 -8.024 527 HA MET 82 HA MET 82 6.762 -4.133 -9.911 528 HB2 MET 82 HB2 MET 82 7.012 -3.842 -6.909 529 HB3 MET 82 HB1 MET 82 6.129 -2.766 -7.980 530 HG2 MET 82 HG2 MET 82 4.660 -4.694 -8.571 531 HG3 MET 82 HG1 MET 82 5.477 -5.620 -7.317 532 HE1 MET 82 HE1 MET 82 3.780 -5.034 -4.293 533 HE2 MET 82 HE2 MET 82 5.255 -4.073 -4.346 534 HE3 MET 82 HE3 MET 82 5.193 -5.636 -5.162 535 H GLU 83 HN GLU 83 8.111 -2.760 -10.911 536 HA GLU 83 HA GLU 83 10.776 -2.260 -9.964 537 HB2 GLU 83 HB2 GLU 83 9.211 -1.744 -12.349 538 HB3 GLU 83 HB1 GLU 83 10.087 -0.301 -11.869 539 HG2 GLU 83 HG2 GLU 83 12.212 -1.530 -11.953 540 HG3 GLU 83 HG1 GLU 83 11.356 -3.013 -12.360 541 H GLU 84 HN GLU 84 10.772 0.622 -10.658 542 HA GLU 84 HA GLU 84 9.643 1.605 -8.126 543 HB2 GLU 84 HB2 GLU 84 11.309 3.173 -10.108 544 HB3 GLU 84 HB1 GLU 84 11.030 3.541 -8.416 545 HG2 GLU 84 HG2 GLU 84 13.170 2.774 -8.327 546 HG3 GLU 84 HG1 GLU 84 12.292 1.274 -8.037 547 H GLU 85 HN GLU 85 8.580 3.834 -8.337 548 HA GLU 85 HA GLU 85 6.991 5.217 -9.186 549 HB2 GLU 85 HB2 GLU 85 8.570 5.434 -11.074 550 HB3 GLU 85 HB1 GLU 85 7.792 4.072 -11.863 551 HG2 GLU 85 HG2 GLU 85 7.015 6.096 -12.858 552 HG3 GLU 85 HG1 GLU 85 5.692 5.375 -11.942 553 H ASP 86 HN ASP 86 6.718 1.941 -9.224 554 HA ASP 86 HA ASP 86 4.536 1.285 -10.754 555 HB2 ASP 86 HB2 ASP 86 5.714 0.261 -8.265 556 HB3 ASP 86 HB1 ASP 86 4.008 -0.125 -8.475 557 H VAL 87 HN VAL 87 2.330 0.653 -9.766 558 HA VAL 87 HA VAL 87 1.301 2.793 -8.041 559 HB VAL 87 HB VAL 87 0.136 2.011 -10.727 560 HG11 VAL 87 HG11 VAL 87 -1.635 2.247 -9.055 561 HG12 VAL 87 HG12 VAL 87 -1.672 3.583 -10.207 562 HG13 VAL 87 HG13 VAL 87 -0.998 3.826 -8.595 563 HG21 VAL 87 HG21 VAL 87 1.988 3.634 -10.784 564 HG22 VAL 87 HG22 VAL 87 1.102 4.666 -9.662 565 HG23 VAL 87 HG23 VAL 87 0.459 4.359 -11.275 566 H ILE 88 HN ILE 88 -0.474 2.233 -6.815 567 HA ILE 88 HA ILE 88 -1.509 -0.512 -7.092 568 HB ILE 88 HB ILE 88 -0.770 0.869 -4.482 569 HG12 ILE 88 HG12 ILE 88 0.201 -1.675 -5.810 570 HG13 ILE 88 HG11 ILE 88 1.141 -0.212 -5.540 571 HG21 ILE 88 HG21 ILE 88 -2.167 -1.771 -4.950 572 HG22 ILE 88 HG22 ILE 88 -2.921 -0.309 -4.317 573 HG23 ILE 88 HG23 ILE 88 -1.669 -1.129 -3.384 574 HD11 ILE 88 HD11 ILE 88 0.068 -2.049 -3.404 575 HD12 ILE 88 HD12 ILE 88 0.986 -0.571 -3.118 576 HD13 ILE 88 HD13 ILE 88 1.745 -1.934 -3.941 577 H GLU 89 HN GLU 89 -3.688 -0.630 -6.892 578 HA GLU 89 HA GLU 89 -5.136 1.899 -6.481 579 HB2 GLU 89 HB2 GLU 89 -5.405 -0.270 -8.363 580 HB3 GLU 89 HB1 GLU 89 -6.856 -0.137 -7.398 581 HG2 GLU 89 HG2 GLU 89 -7.321 1.196 -9.222 582 HG3 GLU 89 HG1 GLU 89 -6.803 2.351 -7.995 583 H VAL 90 HN VAL 90 -6.738 2.017 -4.927 584 HA VAL 90 HA VAL 90 -7.114 -0.388 -3.237 585 HB VAL 90 HB VAL 90 -7.353 2.480 -2.260 586 HG11 VAL 90 HG11 VAL 90 -7.132 1.345 -0.034 587 HG12 VAL 90 HG12 VAL 90 -7.229 -0.201 -0.875 588 HG13 VAL 90 HG13 VAL 90 -8.591 0.918 -0.925 589 HG21 VAL 90 HG21 VAL 90 -5.009 0.613 -1.935 590 HG22 VAL 90 HG22 VAL 90 -5.183 2.201 -1.187 591 HG23 VAL 90 HG23 VAL 90 -5.040 2.063 -2.939 592 H TYR 91 HN TYR 91 -9.233 -0.957 -2.972 593 HA TYR 91 HA TYR 91 -11.252 0.982 -3.890 594 HB2 TYR 91 HB2 TYR 91 -11.206 -2.005 -4.357 595 HB3 TYR 91 HB1 TYR 91 -12.578 -0.963 -4.714 596 HD1 TYR 91 HD1 TYR 91 -9.006 -1.548 -5.582 597 HD2 TYR 91 HD2 TYR 91 -12.739 0.130 -6.774 598 HE1 TYR 91 HE1 TYR 91 -8.098 -1.136 -7.842 599 HE2 TYR 91 HE2 TYR 91 -11.831 0.561 -9.035 600 HH TYR 91 HH TYR 91 -9.577 0.895 -10.091 601 H GLN 92 HN GLN 92 -12.993 1.227 -2.608 602 HA GLN 92 HA GLN 92 -12.966 0.383 0.075 603 HB2 GLN 92 HB2 GLN 92 -14.253 2.325 -0.560 604 HB3 GLN 92 HB1 GLN 92 -15.151 1.414 -1.756 605 HG2 GLN 92 HG2 GLN 92 -16.555 1.926 0.120 606 HG3 GLN 92 HG1 GLN 92 -16.281 0.190 0.039 607 HE21 GLN 92 HE21 GLN 92 -16.837 -0.064 2.198 608 HE22 GLN 92 HE22 GLN 92 -15.783 0.417 3.480 609 H GLU 93 HN GLU 93 -13.741 -1.527 0.984 610 HA GLU 93 HA GLU 93 -14.376 -3.637 -0.873 611 HB2 GLU 93 HB2 GLU 93 -12.982 -3.873 1.276 612 HB3 GLU 93 HB1 GLU 93 -14.522 -3.881 2.126 613 HG2 GLU 93 HG2 GLU 93 -13.719 -6.147 1.710 614 HG3 GLU 93 HG1 GLU 93 -15.235 -5.836 0.866 615 H GLN 94 HN GLN 94 -16.254 -4.725 -1.096 616 HA GLN 94 HA GLN 94 -18.647 -3.927 0.360 617 HB2 GLN 94 HB2 GLN 94 -19.829 -3.336 -1.717 618 HB3 GLN 94 HB1 GLN 94 -18.445 -2.272 -1.463 619 HG2 GLN 94 HG2 GLN 94 -17.129 -3.805 -2.958 620 HG3 GLN 94 HG1 GLN 94 -18.654 -4.598 -3.352 621 HE21 GLN 94 HE21 GLN 94 -19.698 -3.872 -5.032 622 HE22 GLN 94 HE22 GLN 94 -19.496 -2.320 -5.764 623 H THR 95 HN THR 95 -20.548 -5.194 -0.598 624 HA THR 95 HA THR 95 -19.847 -7.729 -1.884 625 HB THR 95 HB THR 95 -21.058 -9.054 -0.213 626 HG1 THR 95 HG1 THR 95 -22.508 -7.502 0.568 627 HG21 THR 95 HG21 THR 95 -19.516 -8.849 1.696 628 HG22 THR 95 HG22 THR 95 -18.974 -7.285 1.085 629 HG23 THR 95 HG23 THR 95 -18.655 -8.752 0.160 630 H GLY 96 HN GLY 96 -21.942 -8.905 -2.458 631 HA2 GLY 96 HA2 GLY 96 -23.721 -7.106 -3.741 632 HA3 GLY 96 HA1 GLY 96 -23.955 -8.841 -3.582 633 H GLY 97 HN GLY 97 -26.235 -8.027 -3.378 634 HA2 GLY 97 HA2 GLY 97 -26.969 -7.963 -0.558 635 HA3 GLY 97 HA1 GLY 97 -27.461 -6.555 -1.500 636 H1 ASP2705 HT1 ASP2705 13.426 -0.869 10.157 637 H2 ASP2705 HT2 ASP2705 13.361 0.667 10.862 638 H3 ASP2705 HT3 ASP2705 13.792 -0.674 11.797 639 HA ASP2705 HA ASP2705 15.343 0.445 9.538 640 HB2 ASP2705 HB2 ASP2705 15.453 1.871 11.509 641 HB3 ASP2705 HB1 ASP2705 15.830 0.486 12.527 642 H ASN2706 HN ASN2706 15.579 -1.727 12.361 643 HA ASN2706 HA ASN2706 17.672 -3.254 11.109 644 HB2 ASN2706 HB2 ASN2706 17.583 -2.832 13.564 645 HB3 ASN2706 HB1 ASN2706 16.147 -3.847 13.654 646 HD21 ASN2706 HD21 ASN2706 19.585 -3.776 13.135 647 HD22 ASN2706 HD22 ASN2706 19.853 -5.471 13.333 648 H GLU2707 HN GLU2707 14.387 -4.066 12.266 649 HA GLU2707 HA GLU2707 14.431 -6.539 10.762 650 HB2 GLU2707 HB2 GLU2707 12.107 -5.350 12.279 651 HB3 GLU2707 HB1 GLU2707 12.322 -7.027 11.801 652 HG2 GLU2707 HG2 GLU2707 13.086 -7.351 13.862 653 HG3 GLU2707 HG1 GLU2707 14.556 -6.544 13.315 654 H ILE2708 HN ILE2708 11.882 -4.057 10.933 655 HA ILE2708 HA ILE2708 11.657 -4.200 7.998 656 HB ILE2708 HB ILE2708 9.176 -3.703 8.376 657 HG12 ILE2708 HG12 ILE2708 8.688 -5.058 10.722 658 HG13 ILE2708 HG11 ILE2708 10.093 -4.084 11.140 659 HG21 ILE2708 HG21 ILE2708 10.318 -6.381 9.148 660 HG22 ILE2708 HG22 ILE2708 9.925 -5.824 7.522 661 HG23 ILE2708 HG23 ILE2708 8.638 -6.095 8.696 662 HD11 ILE2708 HD11 ILE2708 8.893 -2.074 10.417 663 HD12 ILE2708 HD12 ILE2708 8.053 -2.929 11.711 664 HD13 ILE2708 HD13 ILE2708 7.482 -3.066 10.048 665 H GLU2709 HN GLU2709 11.018 -2.261 6.924 666 HA GLU2709 HA GLU2709 10.714 0.145 8.498 667 HB2 GLU2709 HB2 GLU2709 13.179 -0.211 8.323 668 HB3 GLU2709 HB1 GLU2709 13.027 -0.080 6.576 669 HG2 GLU2709 HG2 GLU2709 12.429 2.186 6.692 670 HG3 GLU2709 HG1 GLU2709 12.103 2.097 8.422 671 H VAL2710 HN VAL2710 9.250 1.360 7.602 672 HA VAL2710 HA VAL2710 9.070 1.555 4.684 673 HB VAL2710 HB VAL2710 6.707 1.050 6.512 674 HG11 VAL2710 HG11 VAL2710 6.809 1.731 3.579 675 HG12 VAL2710 HG12 VAL2710 6.041 2.654 4.870 676 HG13 VAL2710 HG13 VAL2710 5.383 1.088 4.393 677 HG21 VAL2710 HG21 VAL2710 6.373 -0.970 5.176 678 HG22 VAL2710 HG22 VAL2710 7.953 -0.977 5.960 679 HG23 VAL2710 HG23 VAL2710 7.823 -0.595 4.243 680 H ILE2711 HN ILE2711 9.215 3.629 4.152 681 HA ILE2711 HA ILE2711 8.376 5.658 6.113 682 HB ILE2711 HB ILE2711 9.777 7.012 4.151 683 HG12 ILE2711 HG12 ILE2711 11.278 4.461 4.793 684 HG13 ILE2711 HG11 ILE2711 10.520 4.803 3.242 685 HG21 ILE2711 HG21 ILE2711 9.875 7.432 6.521 686 HG22 ILE2711 HG22 ILE2711 11.505 7.215 5.884 687 HG23 ILE2711 HG23 ILE2711 10.729 5.912 6.785 688 HD11 ILE2711 HD11 ILE2711 12.836 6.235 4.508 689 HD12 ILE2711 HD12 ILE2711 11.991 6.817 3.074 690 HD13 ILE2711 HD13 ILE2711 12.833 5.267 3.033 691 H ILE2712 HN ILE2712 6.588 6.777 5.702 692 HA ILE2712 HA ILE2712 5.774 7.048 2.892 693 HB ILE2712 HB ILE2712 3.439 6.799 3.505 694 HG12 ILE2712 HG12 ILE2712 4.280 5.942 6.271 695 HG13 ILE2712 HG11 ILE2712 3.831 7.608 5.925 696 HG21 ILE2712 HG21 ILE2712 5.175 4.548 4.499 697 HG22 ILE2712 HG22 ILE2712 4.661 4.825 2.836 698 HG23 ILE2712 HG23 ILE2712 3.470 4.405 4.067 699 HD11 ILE2712 HD11 ILE2712 2.080 5.196 5.529 700 HD12 ILE2712 HD12 ILE2712 1.630 6.867 5.190 701 HD13 ILE2712 HD13 ILE2712 1.965 6.362 6.847 702 H VAL2713 HN VAL2713 5.870 9.110 2.330 703 HA VAL2713 HA VAL2713 4.565 11.056 3.856 704 HB VAL2713 HB VAL2713 7.481 11.349 3.167 705 HG11 VAL2713 HG11 VAL2713 6.318 13.381 2.495 706 HG12 VAL2713 HG12 VAL2713 7.333 13.678 3.906 707 HG13 VAL2713 HG13 VAL2713 5.588 13.508 4.096 708 HG21 VAL2713 HG21 VAL2713 7.799 11.841 5.516 709 HG22 VAL2713 HG22 VAL2713 6.980 10.290 5.339 710 HG23 VAL2713 HG23 VAL2713 6.064 11.723 5.805 711 H TRP2714 HN TRP2714 3.183 11.875 2.460 712 HA TRP2714 HA TRP2714 3.887 12.050 -0.358 713 HB2 TRP2714 HB2 TRP2714 1.676 11.120 0.492 714 HB3 TRP2714 HB1 TRP2714 1.245 12.774 0.895 715 HD1 TRP2714 HD1 TRP2714 2.772 11.230 -2.348 716 HE1 TRP2714 HE1 TRP2714 1.409 12.127 -4.341 717 HE3 TRP2714 HE3 TRP2714 -0.641 14.011 0.211 718 HZ2 TRP2714 HZ2 TRP2714 -0.832 13.805 -4.763 719 HZ3 TRP2714 HZ3 TRP2714 -2.362 15.223 -1.047 720 HH2 TRP2714 HH2 TRP2714 -2.454 15.134 -3.474 721 H GLU2715 HN GLU2715 2.686 14.073 -1.386 722 HA GLU2715 HA GLU2715 3.043 16.475 0.150 723 HB2 GLU2715 HB2 GLU2715 5.273 16.056 -0.871 724 HB3 GLU2715 HB1 GLU2715 4.517 16.066 -2.460 725 HG2 GLU2715 HG2 GLU2715 3.792 18.400 -2.035 726 HG3 GLU2715 HG1 GLU2715 4.715 18.365 -0.532 727 H LYS2716 HN LYS2716 1.475 17.952 -0.409 728 HA LYS2716 HA LYS2716 -0.396 17.155 -2.463 729 HB2 LYS2716 HB2 LYS2716 -0.421 19.021 -0.188 730 HB3 LYS2716 HB1 LYS2716 -1.347 19.552 -1.585 731 HG2 LYS2716 HG2 LYS2716 -1.677 16.830 -0.356 732 HG3 LYS2716 HG1 LYS2716 -2.604 18.235 0.166 733 HD2 LYS2716 HD2 LYS2716 -2.525 17.332 -2.703 734 HD3 LYS2716 HD1 LYS2716 -3.694 16.676 -1.551 735 HE2 LYS2716 HE2 LYS2716 -4.508 18.958 -1.116 736 HE3 LYS2716 HE1 LYS2716 -3.352 19.592 -2.287 737 HZ1 LYS2716 HZ1 LYS2716 -5.573 17.710 -2.876 738 HZ2 LYS2716 HZ2 LYS2716 -4.448 18.277 -4.005 739 HZ3 LYS2716 HZ3 LYS2716 -5.530 19.354 -3.276 740 H LYS2717 HN LYS2717 -1.041 18.367 -4.229 741 HA LYS2717 HA LYS2717 1.065 20.050 -5.349 742 HB2 LYS2717 HB2 LYS2717 0.107 18.083 -6.606 743 HB3 LYS2717 HB1 LYS2717 -1.405 18.970 -6.712 744 HG2 LYS2717 HG2 LYS2717 -0.003 20.825 -7.812 745 HG3 LYS2717 HG1 LYS2717 1.217 19.568 -8.023 746 HD2 LYS2717 HD2 LYS2717 0.151 18.864 -9.843 747 HD3 LYS2717 HD1 LYS2717 -1.259 18.480 -8.856 748 HE2 LYS2717 HE2 LYS2717 -0.669 21.175 -10.079 749 HE3 LYS2717 HE1 LYS2717 -1.794 19.986 -10.733 750 HZ1 LYS2717 HZ1 LYS2717 -3.118 20.170 -8.733 751 HZ2 LYS2717 HZ2 LYS2717 -2.923 21.695 -9.438 752 HZ3 LYS2717 HZ3 LYS2717 -2.025 21.277 -8.067 Start of MODEL 2 1 H1 GLU 20 HT1 GLU 20 15.658 0.044 -3.860 2 H2 GLU 20 HT2 GLU 20 14.860 -1.431 -3.644 3 H3 GLU 20 HT3 GLU 20 16.533 -1.337 -3.421 4 HA GLU 20 HA GLU 20 15.417 -1.435 -1.308 5 HB2 GLU 20 HB2 GLU 20 16.613 1.270 -1.943 6 HB3 GLU 20 HB1 GLU 20 16.356 0.645 -0.319 7 HG2 GLU 20 HG2 GLU 20 18.064 -0.740 -2.367 8 HG3 GLU 20 HG1 GLU 20 18.689 0.436 -1.212 9 H TYR 21 HN TYR 21 14.546 1.563 -3.038 10 HA TYR 21 HA TYR 21 11.912 1.438 -1.739 11 HB2 TYR 21 HB2 TYR 21 13.658 3.890 -2.027 12 HB3 TYR 21 HB1 TYR 21 11.954 3.946 -1.591 13 HD1 TYR 21 HD1 TYR 21 11.286 2.516 0.506 14 HD2 TYR 21 HD2 TYR 21 15.250 3.803 -0.351 15 HE1 TYR 21 HE1 TYR 21 11.881 2.243 2.875 16 HE2 TYR 21 HE2 TYR 21 15.856 3.531 2.015 17 HH TYR 21 HH TYR 21 13.862 1.898 4.246 18 H ILE 22 HN ILE 22 10.477 1.139 -3.309 19 HA ILE 22 HA ILE 22 10.950 2.376 -5.930 20 HB ILE 22 HB ILE 22 9.096 0.853 -6.709 21 HG12 ILE 22 HG12 ILE 22 9.589 -0.600 -4.107 22 HG13 ILE 22 HG11 ILE 22 8.216 0.472 -4.358 23 HG21 ILE 22 HG21 ILE 22 10.538 -1.137 -6.794 24 HG22 ILE 22 HG22 ILE 22 11.581 -0.413 -5.569 25 HG23 ILE 22 HG23 ILE 22 11.420 0.348 -7.153 26 HD11 ILE 22 HD11 ILE 22 7.467 -0.950 -6.209 27 HD12 ILE 22 HD12 ILE 22 7.569 -1.829 -4.682 28 HD13 ILE 22 HD13 ILE 22 8.824 -2.035 -5.905 29 H LYS 23 HN LYS 23 9.144 3.370 -7.046 30 HA LYS 23 HA LYS 23 7.610 5.036 -5.260 31 HB2 LYS 23 HB2 LYS 23 8.662 5.953 -7.300 32 HB3 LYS 23 HB1 LYS 23 7.619 4.938 -8.282 33 HG2 LYS 23 HG2 LYS 23 5.662 6.118 -7.208 34 HG3 LYS 23 HG1 LYS 23 6.834 7.258 -6.543 35 HD2 LYS 23 HD2 LYS 23 6.527 6.649 -9.482 36 HD3 LYS 23 HD1 LYS 23 5.771 8.016 -8.665 37 HE2 LYS 23 HE2 LYS 23 7.984 8.853 -8.033 38 HE3 LYS 23 HE1 LYS 23 8.734 7.489 -8.858 39 HZ1 LYS 23 HZ1 LYS 23 7.770 8.273 -10.939 40 HZ2 LYS 23 HZ2 LYS 23 8.756 9.460 -10.244 41 HZ3 LYS 23 HZ3 LYS 23 7.074 9.593 -10.140 42 H LEU 24 HN LEU 24 6.000 3.940 -4.282 43 HA LEU 24 HA LEU 24 4.120 2.429 -5.960 44 HB2 LEU 24 HB2 LEU 24 4.674 2.390 -2.999 45 HB3 LEU 24 HB1 LEU 24 3.263 1.621 -3.698 46 HG LEU 24 HG LEU 24 6.090 0.926 -4.483 47 HD11 LEU 24 HD11 LEU 24 5.779 0.428 -2.129 48 HD12 LEU 24 HD12 LEU 24 5.812 -1.061 -3.073 49 HD13 LEU 24 HD13 LEU 24 4.276 -0.422 -2.488 50 HD21 LEU 24 HD21 LEU 24 4.473 0.343 -6.169 51 HD22 LEU 24 HD22 LEU 24 3.428 -0.406 -4.961 52 HD23 LEU 24 HD23 LEU 24 4.994 -1.125 -5.341 53 H LYS 25 HN LYS 25 2.514 3.676 -6.670 54 HA LYS 25 HA LYS 25 1.563 5.890 -5.043 55 HB2 LYS 25 HB2 LYS 25 1.036 5.015 -7.872 56 HB3 LYS 25 HB1 LYS 25 0.056 6.251 -7.096 57 HG2 LYS 25 HG2 LYS 25 2.144 7.539 -6.666 58 HG3 LYS 25 HG1 LYS 25 3.012 6.347 -7.636 59 HD2 LYS 25 HD2 LYS 25 1.723 6.894 -9.578 60 HD3 LYS 25 HD1 LYS 25 0.650 7.928 -8.634 61 HE2 LYS 25 HE2 LYS 25 2.510 9.439 -8.168 62 HE3 LYS 25 HE1 LYS 25 3.594 8.398 -9.089 63 HZ1 LYS 25 HZ1 LYS 25 2.325 8.849 -11.071 64 HZ2 LYS 25 HZ2 LYS 25 2.819 10.310 -10.376 65 HZ3 LYS 25 HZ3 LYS 25 1.220 9.791 -10.202 66 H VAL 26 HN VAL 26 0.416 5.011 -3.376 67 HA VAL 26 HA VAL 26 -1.646 3.047 -3.876 68 HB VAL 26 HB VAL 26 -0.999 4.535 -1.320 69 HG11 VAL 26 HG11 VAL 26 -3.272 3.684 -1.316 70 HG12 VAL 26 HG12 VAL 26 -2.268 2.728 -0.226 71 HG13 VAL 26 HG13 VAL 26 -2.700 2.091 -1.812 72 HG21 VAL 26 HG21 VAL 26 0.877 3.177 -2.088 73 HG22 VAL 26 HG22 VAL 26 -0.185 1.775 -2.234 74 HG23 VAL 26 HG23 VAL 26 0.142 2.474 -0.648 75 H ILE 27 HN ILE 27 -3.270 3.837 -5.026 76 HA ILE 27 HA ILE 27 -4.428 6.439 -4.365 77 HB ILE 27 HB ILE 27 -4.775 4.617 -6.739 78 HG12 ILE 27 HG12 ILE 27 -3.631 7.399 -6.404 79 HG13 ILE 27 HG11 ILE 27 -2.706 5.929 -6.689 80 HG21 ILE 27 HG21 ILE 27 -6.143 7.240 -6.160 81 HG22 ILE 27 HG22 ILE 27 -6.914 5.654 -6.168 82 HG23 ILE 27 HG23 ILE 27 -6.255 6.322 -7.662 83 HD11 ILE 27 HD11 ILE 27 -2.911 7.243 -8.714 84 HD12 ILE 27 HD12 ILE 27 -4.669 7.183 -8.594 85 HD13 ILE 27 HD13 ILE 27 -3.755 5.704 -8.884 86 H GLY 28 HN GLY 28 -6.125 6.523 -3.087 87 HA2 GLY 28 HA2 GLY 28 -7.611 4.155 -2.398 88 HA3 GLY 28 HA1 GLY 28 -7.870 5.773 -1.767 89 H GLN 29 HN GLN 29 -10.170 5.133 -1.990 90 HA GLN 29 HA GLN 29 -11.080 5.481 -4.770 91 HB2 GLN 29 HB2 GLN 29 -11.568 3.311 -3.283 92 HB3 GLN 29 HB1 GLN 29 -12.923 4.307 -2.761 93 HG2 GLN 29 HG2 GLN 29 -13.391 2.786 -4.687 94 HG3 GLN 29 HG1 GLN 29 -13.753 4.492 -4.967 95 HE21 GLN 29 HE21 GLN 29 -12.969 5.380 -6.745 96 HE22 GLN 29 HE22 GLN 29 -11.685 4.748 -7.714 97 H ASP 30 HN ASP 30 -10.477 7.714 -3.355 98 HA ASP 30 HA ASP 30 -12.927 9.158 -3.448 99 HB2 ASP 30 HB2 ASP 30 -12.738 9.982 -1.037 100 HB3 ASP 30 HB1 ASP 30 -13.358 8.350 -1.256 101 H SER 31 HN SER 31 -10.227 9.095 -4.525 102 HA SER 31 HA SER 31 -8.748 10.567 -5.373 103 HB2 SER 31 HB2 SER 31 -10.598 12.175 -5.463 104 HB3 SER 31 HB1 SER 31 -10.257 12.663 -3.804 105 HG SER 31 HG SER 31 -8.001 12.990 -4.842 106 H SER 32 HN SER 32 -8.655 9.404 -2.493 107 HA SER 32 HA SER 32 -6.707 11.127 -1.209 108 HB2 SER 32 HB2 SER 32 -8.244 9.938 0.237 109 HB3 SER 32 HB1 SER 32 -7.828 8.398 -0.514 110 HG SER 32 HG SER 32 -5.598 9.565 0.376 111 H GLU 33 HN GLU 33 -4.806 11.165 -2.358 112 HA GLU 33 HA GLU 33 -3.641 8.548 -3.082 113 HB2 GLU 33 HB2 GLU 33 -4.003 10.117 -4.974 114 HB3 GLU 33 HB1 GLU 33 -2.949 11.281 -4.184 115 HG2 GLU 33 HG2 GLU 33 -1.080 9.727 -4.367 116 HG3 GLU 33 HG1 GLU 33 -2.134 8.542 -5.137 117 H ILE 34 HN ILE 34 -1.558 8.044 -2.424 118 HA ILE 34 HA ILE 34 -0.041 9.995 -0.881 119 HB ILE 34 HB ILE 34 -0.828 7.315 0.303 120 HG12 ILE 34 HG12 ILE 34 -1.520 10.114 1.229 121 HG13 ILE 34 HG11 ILE 34 -2.630 9.011 0.426 122 HG21 ILE 34 HG21 ILE 34 1.504 8.078 0.790 123 HG22 ILE 34 HG22 ILE 34 0.483 7.888 2.215 124 HG23 ILE 34 HG23 ILE 34 0.813 9.498 1.577 125 HD11 ILE 34 HD11 ILE 34 -1.342 8.595 3.112 126 HD12 ILE 34 HD12 ILE 34 -2.427 7.460 2.309 127 HD13 ILE 34 HD13 ILE 34 -3.021 9.045 2.808 128 H HIS 35 HN HIS 35 2.185 9.706 -1.103 129 HA HIS 35 HA HIS 35 2.998 7.536 -2.869 130 HB2 HIS 35 HB2 HIS 35 4.326 10.016 -1.841 131 HB3 HIS 35 HB1 HIS 35 5.320 8.709 -2.472 132 HD1 HIS 35 HD1 HIS 35 5.558 11.187 -4.062 133 HD2 HIS 35 HD2 HIS 35 2.482 8.472 -4.721 134 HE1 HIS 35 HE1 HIS 35 4.743 11.593 -6.422 135 H PHE 36 HN PHE 36 3.898 5.710 -2.250 136 HA PHE 36 HA PHE 36 4.734 5.454 0.560 137 HB2 PHE 36 HB2 PHE 36 3.228 3.659 -1.276 138 HB3 PHE 36 HB1 PHE 36 4.277 2.916 -0.077 139 HD1 PHE 36 HD2 PHE 36 1.656 5.572 -0.278 140 HD2 PHE 36 HD1 PHE 36 3.354 2.355 1.929 141 HE1 PHE 36 HE2 PHE 36 -0.116 5.796 1.413 142 HE2 PHE 36 HE1 PHE 36 1.583 2.574 3.618 143 HZ PHE 36 HZ PHE 36 -0.151 4.298 3.363 144 H LYS 37 HN LYS 37 6.688 4.740 1.036 145 HA LYS 37 HA LYS 37 8.348 3.531 -1.074 146 HB2 LYS 37 HB2 LYS 37 9.218 5.413 1.139 147 HB3 LYS 37 HB1 LYS 37 10.316 4.572 0.051 148 HG2 LYS 37 HG2 LYS 37 9.416 5.774 -1.842 149 HG3 LYS 37 HG1 LYS 37 8.223 6.560 -0.807 150 HD2 LYS 37 HD2 LYS 37 10.062 7.595 0.474 151 HD3 LYS 37 HD1 LYS 37 11.221 6.860 -0.637 152 HE2 LYS 37 HE2 LYS 37 10.239 8.094 -2.494 153 HE3 LYS 37 HE1 LYS 37 9.046 8.802 -1.407 154 HZ1 LYS 37 HZ1 LYS 37 11.986 9.202 -1.254 155 HZ2 LYS 37 HZ2 LYS 37 10.849 9.872 -0.196 156 HZ3 LYS 37 HZ3 LYS 37 10.861 10.330 -1.824 157 H VAL 38 HN VAL 38 8.447 1.431 -0.565 158 HA VAL 38 HA VAL 38 8.581 0.663 2.277 159 HB VAL 38 HB VAL 38 7.703 -1.021 -0.075 160 HG11 VAL 38 HG11 VAL 38 8.642 -2.071 2.127 161 HG12 VAL 38 HG12 VAL 38 7.186 -2.723 1.378 162 HG13 VAL 38 HG13 VAL 38 7.054 -1.648 2.768 163 HG21 VAL 38 HG21 VAL 38 6.177 0.862 0.344 164 HG22 VAL 38 HG22 VAL 38 5.996 0.325 2.014 165 HG23 VAL 38 HG23 VAL 38 5.433 -0.698 0.692 166 H LYS 39 HN LYS 39 10.348 -0.361 3.047 167 HA LYS 39 HA LYS 39 12.653 -0.740 1.465 168 HB2 LYS 39 HB2 LYS 39 11.994 -0.859 4.190 169 HB3 LYS 39 HB1 LYS 39 12.620 -2.454 3.800 170 HG2 LYS 39 HG2 LYS 39 14.090 0.042 3.028 171 HG3 LYS 39 HG1 LYS 39 14.269 -0.689 4.623 172 HD2 LYS 39 HD2 LYS 39 14.886 -2.829 3.480 173 HD3 LYS 39 HD1 LYS 39 14.886 -1.946 1.952 174 HE2 LYS 39 HE2 LYS 39 16.657 -0.517 2.709 175 HE3 LYS 39 HE1 LYS 39 16.573 -1.195 4.334 176 HZ1 LYS 39 HZ1 LYS 39 17.258 -3.343 3.394 177 HZ2 LYS 39 HZ2 LYS 39 18.420 -2.139 3.149 178 HZ3 LYS 39 HZ3 LYS 39 17.423 -2.622 1.871 179 H MET 40 HN MET 40 13.513 -2.540 0.468 180 HA MET 40 HA MET 40 11.647 -4.536 -0.374 181 HB2 MET 40 HB2 MET 40 14.597 -4.206 -0.914 182 HB3 MET 40 HB1 MET 40 13.584 -5.429 -1.670 183 HG2 MET 40 HG2 MET 40 12.450 -2.778 -1.922 184 HG3 MET 40 HG1 MET 40 14.071 -2.875 -2.605 185 HE1 MET 40 HE1 MET 40 13.765 -5.457 -5.423 186 HE2 MET 40 HE2 MET 40 14.488 -5.590 -3.820 187 HE3 MET 40 HE3 MET 40 14.696 -4.113 -4.762 188 H THR 41 HN THR 41 13.411 -4.344 2.413 189 HA THR 41 HA THR 41 14.012 -7.198 2.580 190 HB THR 41 HB THR 41 14.404 -5.258 4.842 191 HG1 THR 41 HG1 THR 41 15.963 -5.539 2.486 192 HG21 THR 41 HG21 THR 41 14.794 -7.640 5.265 193 HG22 THR 41 HG22 THR 41 16.302 -6.729 5.346 194 HG23 THR 41 HG23 THR 41 15.932 -7.698 3.919 195 H THR 42 HN THR 42 11.570 -4.973 3.421 196 HA THR 42 HA THR 42 10.365 -6.868 5.322 197 HB THR 42 HB THR 42 8.901 -4.924 5.980 198 HG1 THR 42 HG1 THR 42 9.693 -3.782 3.896 199 HG21 THR 42 HG21 THR 42 11.882 -4.610 6.352 200 HG22 THR 42 HG22 THR 42 10.798 -5.575 7.355 201 HG23 THR 42 HG23 THR 42 10.645 -3.818 7.330 202 H HIS 43 HN HIS 43 8.147 -7.376 5.135 203 HA HIS 43 HA HIS 43 7.234 -7.717 2.469 204 HB2 HIS 43 HB2 HIS 43 5.900 -8.168 5.139 205 HB3 HIS 43 HB1 HIS 43 5.116 -8.532 3.606 206 HD1 HIS 43 HD1 HIS 43 5.997 -10.639 5.889 207 HD2 HIS 43 HD2 HIS 43 7.908 -9.891 2.277 208 HE1 HIS 43 HE1 HIS 43 7.320 -12.723 5.341 209 H LEU 44 HN LEU 44 4.822 -7.164 1.982 210 HA LEU 44 HA LEU 44 4.651 -4.294 1.955 211 HB2 LEU 44 HB2 LEU 44 2.955 -6.488 0.808 212 HB3 LEU 44 HB1 LEU 44 2.456 -4.809 0.733 213 HG LEU 44 HG LEU 44 5.031 -5.870 -0.421 214 HD11 LEU 44 HD11 LEU 44 3.991 -5.804 -2.560 215 HD12 LEU 44 HD12 LEU 44 2.522 -5.095 -1.889 216 HD13 LEU 44 HD13 LEU 44 2.958 -6.759 -1.499 217 HD21 LEU 44 HD21 LEU 44 5.225 -3.546 0.109 218 HD22 LEU 44 HD22 LEU 44 3.650 -3.200 -0.606 219 HD23 LEU 44 HD23 LEU 44 4.995 -3.693 -1.634 220 H LYS 45 HN LYS 45 3.978 -6.326 4.353 221 HA LYS 45 HA LYS 45 1.343 -5.582 5.102 222 HB2 LYS 45 HB2 LYS 45 2.659 -7.591 5.947 223 HB3 LYS 45 HB1 LYS 45 3.524 -6.468 6.989 224 HG2 LYS 45 HG2 LYS 45 1.569 -5.924 8.191 225 HG3 LYS 45 HG1 LYS 45 0.532 -6.713 7.001 226 HD2 LYS 45 HD2 LYS 45 1.575 -8.879 7.601 227 HD3 LYS 45 HD1 LYS 45 2.485 -8.051 8.866 228 HE2 LYS 45 HE2 LYS 45 0.481 -7.459 10.020 229 HE3 LYS 45 HE1 LYS 45 -0.520 -8.017 8.680 230 HZ1 LYS 45 HZ1 LYS 45 -0.485 -9.617 10.486 231 HZ2 LYS 45 HZ2 LYS 45 1.198 -9.740 10.384 232 HZ3 LYS 45 HZ3 LYS 45 0.233 -10.271 9.100 233 H LYS 46 HN LYS 46 4.488 -4.155 5.486 234 HA LYS 46 HA LYS 46 3.810 -2.313 7.545 235 HB2 LYS 46 HB2 LYS 46 6.017 -2.308 5.483 236 HB3 LYS 46 HB1 LYS 46 5.876 -1.103 6.755 237 HG2 LYS 46 HG2 LYS 46 6.193 -4.065 7.203 238 HG3 LYS 46 HG1 LYS 46 7.490 -2.871 7.297 239 HD2 LYS 46 HD2 LYS 46 6.324 -1.739 9.120 240 HD3 LYS 46 HD1 LYS 46 5.008 -2.909 9.015 241 HE2 LYS 46 HE2 LYS 46 6.623 -4.707 9.544 242 HE3 LYS 46 HE1 LYS 46 7.873 -3.482 9.755 243 HZ1 LYS 46 HZ1 LYS 46 6.903 -4.141 11.869 244 HZ2 LYS 46 HZ2 LYS 46 5.366 -3.675 11.336 245 HZ3 LYS 46 HZ3 LYS 46 6.577 -2.512 11.544 246 H LEU 47 HN LEU 47 3.556 -2.345 4.074 247 HA LEU 47 HA LEU 47 2.964 0.413 3.704 248 HB2 LEU 47 HB2 LEU 47 3.706 -0.797 1.808 249 HB3 LEU 47 HB1 LEU 47 2.541 -2.077 2.063 250 HG LEU 47 HG LEU 47 1.330 0.547 1.532 251 HD11 LEU 47 HD11 LEU 47 1.825 0.477 -0.871 252 HD12 LEU 47 HD12 LEU 47 2.961 -0.843 -0.589 253 HD13 LEU 47 HD13 LEU 47 3.275 0.753 0.092 254 HD21 LEU 47 HD21 LEU 47 -0.072 -0.795 0.059 255 HD22 LEU 47 HD22 LEU 47 0.060 -1.550 1.648 256 HD23 LEU 47 HD23 LEU 47 0.992 -2.184 0.291 257 H LYS 48 HN LYS 48 1.075 -2.492 4.254 258 HA LYS 48 HA LYS 48 -1.491 -1.327 3.949 259 HB2 LYS 48 HB2 LYS 48 -0.751 -3.819 3.932 260 HB3 LYS 48 HB1 LYS 48 -0.924 -3.718 5.678 261 HG2 LYS 48 HG2 LYS 48 -3.261 -3.118 5.437 262 HG3 LYS 48 HG1 LYS 48 -3.100 -3.139 3.678 263 HD2 LYS 48 HD2 LYS 48 -2.546 -5.512 3.745 264 HD3 LYS 48 HD1 LYS 48 -2.653 -5.500 5.506 265 HE2 LYS 48 HE2 LYS 48 -5.026 -4.853 5.326 266 HE3 LYS 48 HE1 LYS 48 -4.901 -4.955 3.570 267 HZ1 LYS 48 HZ1 LYS 48 -4.468 -7.199 5.467 268 HZ2 LYS 48 HZ2 LYS 48 -4.350 -7.299 3.783 269 HZ3 LYS 48 HZ3 LYS 48 -5.842 -6.969 4.507 270 H GLU 49 HN GLU 49 0.671 -1.811 6.694 271 HA GLU 49 HA GLU 49 -1.173 -1.007 8.706 272 HB2 GLU 49 HB2 GLU 49 1.839 -1.193 8.667 273 HB3 GLU 49 HB1 GLU 49 0.930 -0.721 10.095 274 HG2 GLU 49 HG2 GLU 49 -0.137 -2.854 10.201 275 HG3 GLU 49 HG1 GLU 49 0.544 -3.326 8.645 276 H SER 50 HN SER 50 1.348 0.676 6.888 277 HA SER 50 HA SER 50 1.185 3.125 8.283 278 HB2 SER 50 HB2 SER 50 2.210 2.419 5.536 279 HB3 SER 50 HB1 SER 50 2.315 4.048 6.205 280 HG SER 50 HG SER 50 3.277 2.658 8.088 281 H TYR 51 HN TYR 51 -0.546 1.882 5.470 282 HA TYR 51 HA TYR 51 -1.777 4.359 4.794 283 HB2 TYR 51 HB2 TYR 51 -1.497 2.319 3.287 284 HB3 TYR 51 HB1 TYR 51 -2.872 1.626 4.140 285 HD1 TYR 51 HD1 TYR 51 -1.972 4.855 2.466 286 HD2 TYR 51 HD2 TYR 51 -4.927 1.864 3.122 287 HE1 TYR 51 HE1 TYR 51 -3.495 6.036 0.943 288 HE2 TYR 51 HE2 TYR 51 -6.460 3.039 1.600 289 HH TYR 51 HH TYR 51 -5.429 5.606 -0.426 290 H CYS 52 HN CYS 52 -2.672 1.655 6.854 291 HA CYS 52 HA CYS 52 -5.349 2.471 7.315 292 HB2 CYS 52 HB2 CYS 52 -3.496 0.584 8.749 293 HB3 CYS 52 HB1 CYS 52 -5.135 0.895 9.316 294 HG CYS 52 HG CYS 52 -6.439 -0.410 7.432 295 H GLN 53 HN GLN 53 -2.316 3.085 9.061 296 HA GLN 53 HA GLN 53 -3.659 4.410 11.228 297 HB2 GLN 53 HB2 GLN 53 -1.400 4.995 12.015 298 HB3 GLN 53 HB1 GLN 53 -1.572 3.280 11.682 299 HG2 GLN 53 HG2 GLN 53 0.398 3.557 10.650 300 HG3 GLN 53 HG1 GLN 53 -0.609 4.116 9.317 301 HE21 GLN 53 HE21 GLN 53 0.998 5.426 8.486 302 HE22 GLN 53 HE22 GLN 53 1.490 6.896 9.250 303 H ARG 54 HN ARG 54 -2.259 5.404 8.195 304 HA ARG 54 HA ARG 54 -2.288 8.217 8.912 305 HB2 ARG 54 HB2 ARG 54 -0.572 7.058 7.384 306 HB3 ARG 54 HB1 ARG 54 -1.827 7.092 6.155 307 HG2 ARG 54 HG2 ARG 54 -0.585 8.983 5.688 308 HG3 ARG 54 HG1 ARG 54 -1.927 9.623 6.637 309 HD2 ARG 54 HD2 ARG 54 0.031 10.648 7.481 310 HD3 ARG 54 HD1 ARG 54 -0.428 9.422 8.661 311 HE ARG 54 HE ARG 54 1.402 8.324 6.821 312 HH11 ARG 54 HH11 ARG 54 1.275 10.598 9.466 313 HH12 ARG 54 HH12 ARG 54 2.927 10.349 9.925 314 HH21 ARG 54 HH21 ARG 54 3.577 7.999 7.418 315 HH22 ARG 54 HH22 ARG 54 4.234 8.873 8.762 316 H GLN 55 HN GLN 55 -4.658 6.100 8.142 317 HA GLN 55 HA GLN 55 -6.246 8.197 6.818 318 HB2 GLN 55 HB2 GLN 55 -5.463 5.893 5.581 319 HB3 GLN 55 HB1 GLN 55 -7.027 5.423 6.230 320 HG2 GLN 55 HG2 GLN 55 -7.433 6.196 4.053 321 HG3 GLN 55 HG1 GLN 55 -7.968 7.487 5.128 322 HE21 GLN 55 HE21 GLN 55 -6.860 9.421 5.165 323 HE22 GLN 55 HE22 GLN 55 -5.671 9.840 3.983 324 H GLY 56 HN GLY 56 -6.000 6.023 9.441 325 HA2 GLY 56 HA2 GLY 56 -7.452 5.591 11.175 326 HA3 GLY 56 HA1 GLY 56 -8.450 6.896 10.561 327 H VAL 57 HN VAL 57 -7.565 3.607 9.483 328 HA VAL 57 HA VAL 57 -10.386 2.859 9.440 329 HB VAL 57 HB VAL 57 -8.618 2.782 6.981 330 HG11 VAL 57 HG11 VAL 57 -10.619 1.802 5.884 331 HG12 VAL 57 HG12 VAL 57 -11.357 1.634 7.476 332 HG13 VAL 57 HG13 VAL 57 -9.880 0.751 7.090 333 HG21 VAL 57 HG21 VAL 57 -10.342 4.213 6.000 334 HG22 VAL 57 HG22 VAL 57 -9.625 4.964 7.427 335 HG23 VAL 57 HG23 VAL 57 -11.218 4.213 7.531 336 HA PRO 58 HA PRO 58 -8.433 -0.764 11.166 337 HB2 PRO 58 HB2 PRO 58 -10.454 -2.527 10.725 338 HB3 PRO 58 HB1 PRO 58 -10.452 -1.340 12.039 339 HG2 PRO 58 HG2 PRO 58 -11.630 -1.066 9.315 340 HG3 PRO 58 HG1 PRO 58 -12.471 -0.840 10.848 341 HD2 PRO 58 HD2 PRO 58 -11.559 1.296 9.625 342 HD3 PRO 58 HD1 PRO 58 -11.164 1.098 11.348 343 H MET 59 HN MET 59 -7.144 -2.293 10.473 344 HA MET 59 HA MET 59 -6.107 -2.517 8.017 345 HB2 MET 59 HB2 MET 59 -5.327 -3.607 10.139 346 HB3 MET 59 HB1 MET 59 -6.477 -4.895 9.831 347 HG2 MET 59 HG2 MET 59 -4.398 -5.696 9.104 348 HG3 MET 59 HG1 MET 59 -5.281 -5.270 7.638 349 HE1 MET 59 HE1 MET 59 -3.689 -2.380 9.944 350 HE2 MET 59 HE2 MET 59 -1.994 -2.653 9.547 351 HE3 MET 59 HE3 MET 59 -2.922 -3.912 10.360 352 H ASN 60 HN ASN 60 -9.026 -4.158 9.056 353 HA ASN 60 HA ASN 60 -9.173 -5.845 6.731 354 HB2 ASN 60 HB2 ASN 60 -11.333 -6.557 7.654 355 HB3 ASN 60 HB1 ASN 60 -10.061 -6.620 8.869 356 HD21 ASN 60 HD21 ASN 60 -13.165 -5.671 8.265 357 HD22 ASN 60 HD22 ASN 60 -13.373 -4.540 9.554 358 H SER 61 HN SER 61 -11.212 -3.240 7.988 359 HA SER 61 HA SER 61 -13.188 -2.821 6.426 360 HB2 SER 61 HB2 SER 61 -12.402 -1.181 7.987 361 HB3 SER 61 HB1 SER 61 -11.168 -0.616 6.878 362 HG SER 61 HG SER 61 -13.897 -0.158 6.988 363 H LEU 62 HN LEU 62 -9.935 -2.256 5.076 364 HA LEU 62 HA LEU 62 -11.213 -1.661 2.512 365 HB2 LEU 62 HB2 LEU 62 -8.277 -1.529 3.056 366 HB3 LEU 62 HB1 LEU 62 -9.189 -0.724 1.801 367 HG LEU 62 HG LEU 62 -9.209 -0.039 4.741 368 HD11 LEU 62 HD11 LEU 62 -8.255 1.569 2.385 369 HD12 LEU 62 HD12 LEU 62 -7.195 0.516 3.321 370 HD13 LEU 62 HD13 LEU 62 -7.990 1.885 4.099 371 HD21 LEU 62 HD21 LEU 62 -10.521 1.960 3.878 372 HD22 LEU 62 HD22 LEU 62 -11.391 0.429 3.951 373 HD23 LEU 62 HD23 LEU 62 -10.785 1.026 2.406 374 H ARG 63 HN ARG 63 -9.094 -2.267 0.849 375 HA ARG 63 HA ARG 63 -8.177 -4.949 0.948 376 HB2 ARG 63 HB2 ARG 63 -10.497 -5.533 0.437 377 HB3 ARG 63 HB1 ARG 63 -10.550 -4.330 -0.844 378 HG2 ARG 63 HG2 ARG 63 -8.714 -5.653 -1.977 379 HG3 ARG 63 HG1 ARG 63 -9.036 -6.922 -0.796 380 HD2 ARG 63 HD2 ARG 63 -11.211 -5.751 -2.506 381 HD3 ARG 63 HD1 ARG 63 -10.202 -7.077 -3.072 382 HE ARG 63 HE ARG 63 -11.264 -7.771 -0.576 383 HH11 ARG 63 HH11 ARG 63 -12.319 -7.199 -3.848 384 HH12 ARG 63 HH12 ARG 63 -13.669 -8.279 -3.742 385 HH21 ARG 63 HH21 ARG 63 -13.031 -9.219 -0.433 386 HH22 ARG 63 HH22 ARG 63 -14.074 -9.428 -1.800 387 H PHE 64 HN PHE 64 -6.442 -5.008 -0.460 388 HA PHE 64 HA PHE 64 -6.189 -2.735 -2.320 389 HB2 PHE 64 HB2 PHE 64 -3.947 -4.301 -1.034 390 HB3 PHE 64 HB1 PHE 64 -3.795 -2.837 -1.998 391 HD1 PHE 64 HD1 PHE 64 -5.535 -4.048 1.080 392 HD2 PHE 64 HD2 PHE 64 -3.540 -0.840 -0.892 393 HE1 PHE 64 HE1 PHE 64 -5.754 -2.675 3.123 394 HE2 PHE 64 HE2 PHE 64 -3.755 0.546 1.142 395 HZ PHE 64 HZ PHE 64 -4.866 -0.373 3.155 396 H LEU 65 HN LEU 65 -5.492 -3.070 -4.413 397 HA LEU 65 HA LEU 65 -5.120 -5.875 -5.219 398 HB2 LEU 65 HB2 LEU 65 -6.629 -3.868 -6.853 399 HB3 LEU 65 HB1 LEU 65 -6.486 -5.584 -7.134 400 HG LEU 65 HG LEU 65 -8.060 -4.282 -4.910 401 HD11 LEU 65 HD11 LEU 65 -9.986 -4.928 -6.170 402 HD12 LEU 65 HD12 LEU 65 -8.997 -5.802 -7.339 403 HD13 LEU 65 HD13 LEU 65 -8.913 -4.043 -7.256 404 HD21 LEU 65 HD21 LEU 65 -7.174 -6.435 -4.201 405 HD22 LEU 65 HD22 LEU 65 -7.741 -7.183 -5.696 406 HD23 LEU 65 HD23 LEU 65 -8.903 -6.571 -4.520 407 H PHE 66 HN PHE 66 -4.123 -6.223 -7.278 408 HA PHE 66 HA PHE 66 -2.661 -4.046 -8.527 409 HB2 PHE 66 HB2 PHE 66 -1.124 -4.766 -6.740 410 HB3 PHE 66 HB1 PHE 66 -1.247 -6.431 -7.295 411 HD1 PHE 66 HD1 PHE 66 -0.606 -3.127 -8.912 412 HD2 PHE 66 HD2 PHE 66 0.642 -7.162 -8.360 413 HE1 PHE 66 HE1 PHE 66 1.269 -2.753 -10.478 414 HE2 PHE 66 HE2 PHE 66 2.522 -6.805 -9.927 415 HZ PHE 66 HZ PHE 66 2.836 -4.596 -10.991 416 H GLU 67 HN GLU 67 -2.159 -4.543 -10.681 417 HA GLU 67 HA GLU 67 -2.626 -5.511 -12.714 418 HB2 GLU 67 HB2 GLU 67 -1.708 -7.879 -11.076 419 HB3 GLU 67 HB1 GLU 67 -2.054 -7.999 -12.792 420 HG2 GLU 67 HG2 GLU 67 -0.295 -6.346 -13.245 421 HG3 GLU 67 HG1 GLU 67 0.064 -6.276 -11.520 422 H GLY 68 HN GLY 68 -4.800 -5.225 -10.775 423 HA2 GLY 68 HA2 GLY 68 -7.081 -5.670 -11.005 424 HA3 GLY 68 HA1 GLY 68 -6.686 -7.011 -12.072 425 H GLN 69 HN GLN 69 -4.962 -8.491 -10.462 426 HA GLN 69 HA GLN 69 -6.893 -9.717 -8.742 427 HB2 GLN 69 HB2 GLN 69 -4.049 -10.425 -9.403 428 HB3 GLN 69 HB1 GLN 69 -5.028 -11.354 -8.274 429 HG2 GLN 69 HG2 GLN 69 -6.729 -11.534 -10.171 430 HG3 GLN 69 HG1 GLN 69 -5.432 -10.970 -11.220 431 HE21 GLN 69 HE21 GLN 69 -6.972 -13.633 -10.222 432 HE22 GLN 69 HE22 GLN 69 -5.718 -14.809 -10.398 433 H ARG 70 HN ARG 70 -6.775 -10.183 -6.590 434 HA ARG 70 HA ARG 70 -6.224 -8.119 -4.870 435 HB2 ARG 70 HB2 ARG 70 -7.735 -10.068 -4.494 436 HB3 ARG 70 HB1 ARG 70 -6.315 -11.030 -4.118 437 HG2 ARG 70 HG2 ARG 70 -5.913 -9.893 -2.144 438 HG3 ARG 70 HG1 ARG 70 -6.903 -8.510 -2.630 439 HD2 ARG 70 HD2 ARG 70 -8.870 -10.097 -2.634 440 HD3 ARG 70 HD1 ARG 70 -7.816 -11.257 -1.826 441 HE ARG 70 HE ARG 70 -7.605 -8.991 -0.328 442 HH11 ARG 70 HH11 ARG 70 -10.255 -10.982 -1.390 443 HH12 ARG 70 HH12 ARG 70 -11.238 -10.641 -0.005 444 HH21 ARG 70 HH21 ARG 70 -8.889 -8.523 1.497 445 HH22 ARG 70 HH22 ARG 70 -10.461 -9.236 1.638 446 H ILE 71 HN ILE 71 -4.850 -8.233 -2.875 447 HA ILE 71 HA ILE 71 -2.130 -9.092 -3.599 448 HB ILE 71 HB ILE 71 -3.034 -6.640 -2.102 449 HG12 ILE 71 HG12 ILE 71 -1.283 -7.081 -4.533 450 HG13 ILE 71 HG11 ILE 71 -2.943 -6.496 -4.550 451 HG21 ILE 71 HG21 ILE 71 -1.211 -7.658 -0.842 452 HG22 ILE 71 HG22 ILE 71 -0.669 -6.182 -1.640 453 HG23 ILE 71 HG23 ILE 71 -0.238 -7.756 -2.310 454 HD11 ILE 71 HD11 ILE 71 -1.563 -4.612 -4.849 455 HD12 ILE 71 HD12 ILE 71 -0.494 -5.089 -3.531 456 HD13 ILE 71 HD13 ILE 71 -2.132 -4.537 -3.183 457 H ALA 72 HN ALA 72 -1.202 -10.489 -2.341 458 HA ALA 72 HA ALA 72 -2.376 -11.631 -0.055 459 HB1 ALA 72 HB1 ALA 72 -0.832 -12.872 -1.536 460 HB2 ALA 72 HB2 ALA 72 -0.308 -12.921 0.147 461 HB3 ALA 72 HB3 ALA 72 0.496 -11.844 -0.994 462 H ASP 73 HN ASP 73 -1.645 -11.573 2.109 463 HA ASP 73 HA ASP 73 -0.915 -8.966 2.999 464 HB2 ASP 73 HB2 ASP 73 -2.442 -10.755 4.106 465 HB3 ASP 73 HB1 ASP 73 -0.936 -11.403 4.749 466 H ASN 74 HN ASN 74 0.827 -11.842 2.272 467 HA ASN 74 HA ASN 74 3.235 -10.884 3.660 468 HB2 ASN 74 HB2 ASN 74 2.488 -13.577 2.519 469 HB3 ASN 74 HB1 ASN 74 4.112 -13.192 3.080 470 HD21 ASN 74 HD21 ASN 74 2.481 -11.388 5.069 471 HD22 ASN 74 HD22 ASN 74 2.131 -12.495 6.348 472 H HIS 75 HN HIS 75 1.788 -10.610 0.760 473 HA HIS 75 HA HIS 75 3.634 -11.207 -1.204 474 HB2 HIS 75 HB2 HIS 75 1.218 -9.764 -1.012 475 HB3 HIS 75 HB1 HIS 75 2.373 -8.678 -1.772 476 HD1 HIS 75 HD1 HIS 75 3.870 -10.286 -3.685 477 HD2 HIS 75 HD2 HIS 75 -0.127 -11.075 -2.968 478 HE1 HIS 75 HE1 HIS 75 3.035 -11.519 -5.719 479 H THR 76 HN THR 76 4.828 -9.552 -2.539 480 HA THR 76 HA THR 76 5.868 -7.140 -1.537 481 HB THR 76 HB THR 76 7.677 -9.571 -1.191 482 HG1 THR 76 HG1 THR 76 7.821 -8.508 0.990 483 HG21 THR 76 HG21 THR 76 8.790 -7.560 -2.221 484 HG22 THR 76 HG22 THR 76 9.464 -8.060 -0.672 485 HG23 THR 76 HG23 THR 76 8.385 -6.667 -0.755 486 HA PRO 77 HA PRO 77 6.697 -6.953 -5.891 487 HB2 PRO 77 HB2 PRO 77 9.274 -5.720 -4.928 488 HB3 PRO 77 HB1 PRO 77 8.250 -5.239 -6.295 489 HG2 PRO 77 HG2 PRO 77 7.978 -3.884 -4.090 490 HG3 PRO 77 HG1 PRO 77 6.499 -4.517 -4.850 491 HD2 PRO 77 HD2 PRO 77 8.041 -5.640 -2.506 492 HD3 PRO 77 HD1 PRO 77 6.286 -5.417 -2.676 493 H LYS 78 HN LYS 78 8.625 -8.514 -3.595 494 HA LYS 78 HA LYS 78 10.636 -9.730 -5.141 495 HB2 LYS 78 HB2 LYS 78 10.625 -9.748 -2.674 496 HB3 LYS 78 HB1 LYS 78 9.150 -10.698 -2.674 497 HG2 LYS 78 HG2 LYS 78 10.395 -12.554 -3.739 498 HG3 LYS 78 HG1 LYS 78 11.872 -11.595 -3.600 499 HD2 LYS 78 HD2 LYS 78 11.658 -11.549 -1.186 500 HD3 LYS 78 HD1 LYS 78 10.112 -12.393 -1.277 501 HE2 LYS 78 HE2 LYS 78 11.273 -14.327 -2.294 502 HE3 LYS 78 HE1 LYS 78 12.807 -13.483 -2.081 503 HZ1 LYS 78 HZ1 LYS 78 10.955 -14.282 0.104 504 HZ2 LYS 78 HZ2 LYS 78 12.429 -13.477 0.308 505 HZ3 LYS 78 HZ3 LYS 78 12.406 -15.058 -0.292 506 H GLU 79 HN GLU 79 7.248 -10.109 -4.865 507 HA GLU 79 HA GLU 79 7.279 -12.586 -6.441 508 HB2 GLU 79 HB2 GLU 79 5.029 -11.559 -4.714 509 HB3 GLU 79 HB1 GLU 79 5.133 -13.127 -5.499 510 HG2 GLU 79 HG2 GLU 79 6.898 -12.151 -3.270 511 HG3 GLU 79 HG1 GLU 79 5.556 -13.283 -3.115 512 H LEU 80 HN LEU 80 5.943 -9.353 -6.147 513 HA LEU 80 HA LEU 80 4.219 -9.704 -8.449 514 HB2 LEU 80 HB2 LEU 80 4.683 -7.404 -6.585 515 HB3 LEU 80 HB1 LEU 80 3.648 -7.290 -7.995 516 HG LEU 80 HG LEU 80 3.235 -9.223 -5.712 517 HD11 LEU 80 HD11 LEU 80 2.846 -6.948 -4.976 518 HD12 LEU 80 HD12 LEU 80 1.305 -7.780 -5.179 519 HD13 LEU 80 HD13 LEU 80 1.853 -6.631 -6.399 520 HD21 LEU 80 HD21 LEU 80 1.884 -8.693 -8.317 521 HD22 LEU 80 HD22 LEU 80 0.929 -9.233 -6.937 522 HD23 LEU 80 HD23 LEU 80 2.255 -10.229 -7.536 523 H GLY 81 HN GLY 81 7.414 -8.723 -7.988 524 HA2 GLY 81 HA2 GLY 81 8.928 -7.633 -9.341 525 HA3 GLY 81 HA1 GLY 81 7.959 -8.279 -10.660 526 H MET 82 HN MET 82 6.662 -6.072 -8.294 527 HA MET 82 HA MET 82 5.678 -4.291 -10.234 528 HB2 MET 82 HB2 MET 82 6.199 -3.761 -7.301 529 HB3 MET 82 HB1 MET 82 5.143 -2.825 -8.347 530 HG2 MET 82 HG2 MET 82 3.760 -4.880 -8.652 531 HG3 MET 82 HG1 MET 82 4.757 -5.656 -7.427 532 HE1 MET 82 HE1 MET 82 3.325 -4.958 -4.297 533 HE2 MET 82 HE2 MET 82 4.712 -3.904 -4.558 534 HE3 MET 82 HE3 MET 82 4.690 -5.522 -5.260 535 H GLU 83 HN GLU 83 6.826 -2.917 -11.458 536 HA GLU 83 HA GLU 83 9.529 -2.184 -10.824 537 HB2 GLU 83 HB2 GLU 83 7.710 -1.946 -13.067 538 HB3 GLU 83 HB1 GLU 83 8.525 -0.421 -12.779 539 HG2 GLU 83 HG2 GLU 83 10.711 -1.519 -12.995 540 HG3 GLU 83 HG1 GLU 83 9.925 -3.077 -13.209 541 H GLU 84 HN GLU 84 9.259 0.633 -11.710 542 HA GLU 84 HA GLU 84 8.316 1.730 -9.151 543 HB2 GLU 84 HB2 GLU 84 9.671 3.245 -11.394 544 HB3 GLU 84 HB1 GLU 84 9.532 3.722 -9.713 545 HG2 GLU 84 HG2 GLU 84 11.718 3.097 -9.790 546 HG3 GLU 84 HG1 GLU 84 10.978 1.571 -9.309 547 H GLU 85 HN GLU 85 7.084 3.864 -9.404 548 HA GLU 85 HA GLU 85 5.330 5.082 -10.182 549 HB2 GLU 85 HB2 GLU 85 6.701 5.253 -12.230 550 HB3 GLU 85 HB1 GLU 85 5.947 3.791 -12.840 551 HG2 GLU 85 HG2 GLU 85 4.938 5.682 -13.889 552 HG3 GLU 85 HG1 GLU 85 3.763 4.951 -12.795 553 H ASP 86 HN ASP 86 5.283 1.801 -9.966 554 HA ASP 86 HA ASP 86 3.013 0.899 -11.217 555 HB2 ASP 86 HB2 ASP 86 4.494 0.140 -8.796 556 HB3 ASP 86 HB1 ASP 86 2.808 -0.366 -8.806 557 H VAL 87 HN VAL 87 0.962 0.209 -9.968 558 HA VAL 87 HA VAL 87 -0.040 2.404 -8.299 559 HB VAL 87 HB VAL 87 -1.403 1.352 -10.793 560 HG11 VAL 87 HG11 VAL 87 -3.015 1.604 -8.969 561 HG12 VAL 87 HG12 VAL 87 -3.257 2.842 -10.201 562 HG13 VAL 87 HG13 VAL 87 -2.447 3.250 -8.688 563 HG21 VAL 87 HG21 VAL 87 0.306 3.070 -11.174 564 HG22 VAL 87 HG22 VAL 87 -0.497 4.125 -10.011 565 HG23 VAL 87 HG23 VAL 87 -1.312 3.686 -11.512 566 H ILE 88 HN ILE 88 -1.643 1.830 -6.862 567 HA ILE 88 HA ILE 88 -2.510 -0.987 -6.845 568 HB ILE 88 HB ILE 88 -1.618 0.630 -4.425 569 HG12 ILE 88 HG12 ILE 88 -0.607 -1.943 -5.666 570 HG13 ILE 88 HG11 ILE 88 0.252 -0.408 -5.595 571 HG21 ILE 88 HG21 ILE 88 -2.869 -2.119 -4.566 572 HG22 ILE 88 HG22 ILE 88 -3.657 -0.663 -3.960 573 HG23 ILE 88 HG23 ILE 88 -2.266 -1.333 -3.106 574 HD11 ILE 88 HD11 ILE 88 -0.480 -2.143 -3.240 575 HD12 ILE 88 HD12 ILE 88 0.356 -0.592 -3.150 576 HD13 ILE 88 HD13 ILE 88 1.125 -1.963 -3.950 577 H GLU 89 HN GLU 89 -4.645 -1.224 -6.416 578 HA GLU 89 HA GLU 89 -6.218 1.235 -6.034 579 HB2 GLU 89 HB2 GLU 89 -6.518 -1.082 -7.726 580 HB3 GLU 89 HB1 GLU 89 -7.875 -0.968 -6.629 581 HG2 GLU 89 HG2 GLU 89 -8.605 0.193 -8.484 582 HG3 GLU 89 HG1 GLU 89 -8.052 1.468 -7.399 583 H VAL 90 HN VAL 90 -7.665 1.370 -4.338 584 HA VAL 90 HA VAL 90 -7.710 -0.920 -2.457 585 HB VAL 90 HB VAL 90 -8.049 1.994 -1.660 586 HG11 VAL 90 HG11 VAL 90 -7.537 1.046 0.605 587 HG12 VAL 90 HG12 VAL 90 -7.607 -0.563 -0.113 588 HG13 VAL 90 HG13 VAL 90 -9.042 0.462 -0.102 589 HG21 VAL 90 HG21 VAL 90 -5.562 0.306 -1.448 590 HG22 VAL 90 HG22 VAL 90 -5.771 1.931 -0.796 591 HG23 VAL 90 HG23 VAL 90 -5.791 1.670 -2.541 592 H TYR 91 HN TYR 91 -9.748 -1.598 -1.939 593 HA TYR 91 HA TYR 91 -11.976 0.140 -2.777 594 HB2 TYR 91 HB2 TYR 91 -11.771 -2.867 -3.041 595 HB3 TYR 91 HB1 TYR 91 -13.238 -1.941 -3.327 596 HD1 TYR 91 HD1 TYR 91 -9.735 -2.368 -4.511 597 HD2 TYR 91 HD2 TYR 91 -13.673 -1.017 -5.431 598 HE1 TYR 91 HE1 TYR 91 -9.080 -2.072 -6.875 599 HE2 TYR 91 HE2 TYR 91 -13.022 -0.703 -7.796 600 HH TYR 91 HH TYR 91 -10.900 -0.308 -9.093 601 H GLN 92 HN GLN 92 -13.598 0.371 -1.346 602 HA GLN 92 HA GLN 92 -13.252 -0.265 1.372 603 HB2 GLN 92 HB2 GLN 92 -14.725 1.540 0.740 604 HB3 GLN 92 HB1 GLN 92 -15.671 0.488 -0.293 605 HG2 GLN 92 HG2 GLN 92 -16.918 1.053 1.676 606 HG3 GLN 92 HG1 GLN 92 -16.534 -0.664 1.687 607 HE21 GLN 92 HE21 GLN 92 -16.858 -0.788 3.904 608 HE22 GLN 92 HE22 GLN 92 -15.721 -0.150 5.036 609 H GLU 93 HN GLU 93 -13.802 -2.145 2.485 610 HA GLU 93 HA GLU 93 -14.466 -4.424 0.852 611 HB2 GLU 93 HB2 GLU 93 -12.857 -4.411 2.858 612 HB3 GLU 93 HB1 GLU 93 -14.304 -4.451 3.859 613 HG2 GLU 93 HG2 GLU 93 -13.391 -6.687 3.521 614 HG3 GLU 93 HG1 GLU 93 -14.999 -6.535 2.816 615 H GLN 94 HN GLN 94 -16.277 -5.639 0.896 616 HA GLN 94 HA GLN 94 -18.568 -4.884 2.530 617 HB2 GLN 94 HB2 GLN 94 -19.982 -4.526 0.548 618 HB3 GLN 94 HB1 GLN 94 -18.658 -3.362 0.586 619 HG2 GLN 94 HG2 GLN 94 -17.392 -4.919 -0.925 620 HG3 GLN 94 HG1 GLN 94 -18.888 -5.831 -1.108 621 HE21 GLN 94 HE21 GLN 94 -20.139 -5.300 -2.720 622 HE22 GLN 94 HE22 GLN 94 -20.115 -3.797 -3.572 623 H THR 95 HN THR 95 -20.461 -6.334 1.859 624 HA THR 95 HA THR 95 -19.714 -8.911 0.686 625 HB THR 95 HB THR 95 -20.663 -10.178 2.559 626 HG1 THR 95 HG1 THR 95 -22.134 -8.663 3.373 627 HG21 THR 95 HG21 THR 95 -18.961 -9.735 4.282 628 HG22 THR 95 HG22 THR 95 -18.590 -8.191 3.513 629 HG23 THR 95 HG23 THR 95 -18.262 -9.701 2.663 630 H GLY 96 HN GLY 96 -21.770 -10.253 0.411 631 HA2 GLY 96 HA2 GLY 96 -23.785 -8.669 -0.805 632 HA3 GLY 96 HA1 GLY 96 -23.882 -10.399 -0.505 633 H GLY 97 HN GLY 97 -26.181 -9.714 -0.126 634 HA2 GLY 97 HA2 GLY 97 -26.641 -9.484 2.743 635 HA3 GLY 97 HA1 GLY 97 -27.319 -8.184 1.761 636 H1 ASP2705 HT1 ASP2705 16.936 -6.730 10.265 637 H2 ASP2705 HT2 ASP2705 17.765 -8.204 10.189 638 H3 ASP2705 HT3 ASP2705 16.205 -8.144 10.840 639 HA ASP2705 HA ASP2705 16.907 -7.544 8.028 640 HB2 ASP2705 HB2 ASP2705 15.613 -9.985 9.265 641 HB3 ASP2705 HB1 ASP2705 15.721 -9.680 7.535 642 H ASN2706 HN ASN2706 14.189 -8.552 10.116 643 HA ASN2706 HA ASN2706 12.358 -7.018 8.448 644 HB2 ASN2706 HB2 ASN2706 12.025 -9.094 10.581 645 HB3 ASN2706 HB1 ASN2706 10.676 -8.031 10.193 646 HD21 ASN2706 HD21 ASN2706 13.040 -9.081 7.840 647 HD22 ASN2706 HD22 ASN2706 11.972 -10.095 6.936 648 H GLU2707 HN GLU2707 14.327 -6.285 10.929 649 HA GLU2707 HA GLU2707 12.528 -4.738 12.561 650 HB2 GLU2707 HB2 GLU2707 15.552 -4.769 12.511 651 HB3 GLU2707 HB1 GLU2707 14.552 -4.028 13.752 652 HG2 GLU2707 HG2 GLU2707 15.026 -5.985 14.791 653 HG3 GLU2707 HG1 GLU2707 13.579 -6.483 13.918 654 H ILE2708 HN ILE2708 13.698 -4.249 9.535 655 HA ILE2708 HA ILE2708 14.384 -1.454 9.736 656 HB ILE2708 HB ILE2708 13.771 -2.980 7.200 657 HG12 ILE2708 HG12 ILE2708 16.432 -2.716 8.627 658 HG13 ILE2708 HG11 ILE2708 15.463 -4.185 8.563 659 HG21 ILE2708 HG21 ILE2708 13.903 -0.611 6.860 660 HG22 ILE2708 HG22 ILE2708 15.385 -1.338 6.240 661 HG23 ILE2708 HG23 ILE2708 15.393 -0.510 7.796 662 HD11 ILE2708 HD11 ILE2708 16.653 -2.790 6.177 663 HD12 ILE2708 HD12 ILE2708 15.770 -4.317 6.172 664 HD13 ILE2708 HD13 ILE2708 17.333 -4.204 6.981 665 H GLU2709 HN GLU2709 13.168 0.296 8.946 666 HA GLU2709 HA GLU2709 10.273 -0.221 8.780 667 HB2 GLU2709 HB2 GLU2709 11.501 1.252 10.653 668 HB3 GLU2709 HB1 GLU2709 11.252 2.484 9.422 669 HG2 GLU2709 HG2 GLU2709 8.861 2.015 9.419 670 HG3 GLU2709 HG1 GLU2709 9.100 0.773 10.649 671 H VAL2710 HN VAL2710 8.999 1.175 7.481 672 HA VAL2710 HA VAL2710 10.401 2.081 5.071 673 HB VAL2710 HB VAL2710 8.345 1.858 3.891 674 HG11 VAL2710 HG11 VAL2710 9.622 -0.232 4.622 675 HG12 VAL2710 HG12 VAL2710 7.977 -0.451 4.028 676 HG13 VAL2710 HG13 VAL2710 8.300 -0.490 5.760 677 HG21 VAL2710 HG21 VAL2710 6.834 2.834 5.539 678 HG22 VAL2710 HG22 VAL2710 6.992 1.400 6.551 679 HG23 VAL2710 HG23 VAL2710 6.218 1.281 4.971 680 H ILE2711 HN ILE2711 9.850 4.119 4.111 681 HA ILE2711 HA ILE2711 8.792 6.071 6.058 682 HB ILE2711 HB ILE2711 10.737 6.636 3.809 683 HG12 ILE2711 HG12 ILE2711 11.371 6.576 6.761 684 HG13 ILE2711 HG11 ILE2711 11.596 5.171 5.724 685 HG21 ILE2711 HG21 ILE2711 11.033 8.792 4.940 686 HG22 ILE2711 HG22 ILE2711 9.807 8.338 6.123 687 HG23 ILE2711 HG23 ILE2711 9.363 8.549 4.429 688 HD11 ILE2711 HD11 ILE2711 12.916 7.846 5.340 689 HD12 ILE2711 HD12 ILE2711 13.179 6.400 4.366 690 HD13 ILE2711 HD13 ILE2711 13.666 6.423 6.061 691 H ILE2712 HN ILE2712 6.813 6.728 5.527 692 HA ILE2712 HA ILE2712 6.200 7.155 2.678 693 HB ILE2712 HB ILE2712 3.934 6.391 2.995 694 HG12 ILE2712 HG12 ILE2712 4.116 5.077 5.541 695 HG13 ILE2712 HG11 ILE2712 4.468 6.788 5.751 696 HG21 ILE2712 HG21 ILE2712 5.755 4.758 2.469 697 HG22 ILE2712 HG22 ILE2712 4.314 4.051 3.196 698 HG23 ILE2712 HG23 ILE2712 5.760 4.309 4.174 699 HD11 ILE2712 HD11 ILE2712 2.106 6.319 6.068 700 HD12 ILE2712 HD12 ILE2712 2.012 5.648 4.438 701 HD13 ILE2712 HD13 ILE2712 2.365 7.361 4.668 702 H VAL2713 HN VAL2713 5.569 9.092 2.188 703 HA VAL2713 HA VAL2713 3.879 10.637 3.712 704 HB VAL2713 HB VAL2713 5.658 12.643 3.602 705 HG11 VAL2713 HG11 VAL2713 5.333 10.721 5.900 706 HG12 VAL2713 HG12 VAL2713 4.336 12.133 5.548 707 HG13 VAL2713 HG13 VAL2713 6.022 12.340 6.021 708 HG21 VAL2713 HG21 VAL2713 7.827 11.873 4.473 709 HG22 VAL2713 HG22 VAL2713 7.503 11.268 2.848 710 HG23 VAL2713 HG23 VAL2713 7.313 10.202 4.240 711 H TRP2714 HN TRP2714 2.611 11.354 2.208 712 HA TRP2714 HA TRP2714 3.609 11.952 -0.452 713 HB2 TRP2714 HB2 TRP2714 1.434 10.692 0.043 714 HB3 TRP2714 HB1 TRP2714 0.767 12.252 0.501 715 HD1 TRP2714 HD1 TRP2714 2.851 11.148 -2.599 716 HE1 TRP2714 HE1 TRP2714 1.678 12.061 -4.695 717 HE3 TRP2714 HE3 TRP2714 -1.151 13.385 -0.368 718 HZ2 TRP2714 HZ2 TRP2714 -0.640 13.543 -5.321 719 HZ3 TRP2714 HZ3 TRP2714 -2.801 14.519 -1.788 720 HH2 TRP2714 HH2 TRP2714 -2.547 14.611 -4.198 721 H GLU2715 HN GLU2715 2.627 13.914 -1.537 722 HA GLU2715 HA GLU2715 2.324 16.147 0.281 723 HB2 GLU2715 HB2 GLU2715 4.554 15.751 -1.533 724 HB3 GLU2715 HB1 GLU2715 3.690 17.237 -1.906 725 HG2 GLU2715 HG2 GLU2715 4.724 16.529 0.830 726 HG3 GLU2715 HG1 GLU2715 5.598 17.516 -0.338 727 H LYS2716 HN LYS2716 0.670 17.487 -0.297 728 HA LYS2716 HA LYS2716 -0.893 16.683 -2.583 729 HB2 LYS2716 HB2 LYS2716 -1.345 18.442 -0.228 730 HB3 LYS2716 HB1 LYS2716 -2.347 18.695 -1.650 731 HG2 LYS2716 HG2 LYS2716 -2.083 15.896 -0.860 732 HG3 LYS2716 HG1 LYS2716 -2.862 16.913 0.350 733 HD2 LYS2716 HD2 LYS2716 -4.306 15.712 -1.462 734 HD3 LYS2716 HD1 LYS2716 -4.665 17.388 -1.031 735 HE2 LYS2716 HE2 LYS2716 -3.607 18.205 -3.000 736 HE3 LYS2716 HE1 LYS2716 -2.901 16.629 -3.353 737 HZ1 LYS2716 HZ1 LYS2716 -4.822 17.116 -4.753 738 HZ2 LYS2716 HZ2 LYS2716 -5.807 17.251 -3.383 739 HZ3 LYS2716 HZ3 LYS2716 -5.104 15.763 -3.777 740 H LYS2717 HN LYS2717 -1.398 17.814 -4.359 741 HA LYS2717 HA LYS2717 0.097 20.300 -4.848 742 HB2 LYS2717 HB2 LYS2717 -0.238 17.855 -6.560 743 HB3 LYS2717 HB1 LYS2717 0.086 19.420 -7.298 744 HG2 LYS2717 HG2 LYS2717 2.141 19.608 -5.979 745 HG3 LYS2717 HG1 LYS2717 1.814 18.032 -5.259 746 HD2 LYS2717 HD2 LYS2717 1.929 17.002 -7.481 747 HD3 LYS2717 HD1 LYS2717 2.272 18.581 -8.190 748 HE2 LYS2717 HE2 LYS2717 4.315 18.736 -6.856 749 HE3 LYS2717 HE1 LYS2717 3.973 17.160 -6.143 750 HZ1 LYS2717 HZ1 LYS2717 4.489 17.691 -9.018 751 HZ2 LYS2717 HZ2 LYS2717 4.140 16.177 -8.349 752 HZ3 LYS2717 HZ3 LYS2717 5.571 16.976 -7.932 Start of MODEL 3 1 H1 GLU 20 HT1 GLU 20 16.007 -0.249 -4.053 2 H2 GLU 20 HT2 GLU 20 15.574 -1.791 -3.513 3 H3 GLU 20 HT3 GLU 20 17.203 -1.341 -3.562 4 HA GLU 20 HA GLU 20 16.363 -1.303 -1.313 5 HB2 GLU 20 HB2 GLU 20 17.203 1.240 -2.654 6 HB3 GLU 20 HB1 GLU 20 16.808 1.253 -0.940 7 HG2 GLU 20 HG2 GLU 20 18.887 -0.493 -2.240 8 HG3 GLU 20 HG1 GLU 20 19.206 0.989 -1.338 9 H TYR 21 HN TYR 21 15.031 1.666 -2.761 10 HA TYR 21 HA TYR 21 12.511 1.089 -1.349 11 HB2 TYR 21 HB2 TYR 21 14.070 3.620 -1.650 12 HB3 TYR 21 HB1 TYR 21 12.318 3.714 -1.526 13 HD1 TYR 21 HD1 TYR 21 11.200 2.718 0.513 14 HD2 TYR 21 HD2 TYR 21 15.405 3.315 0.266 15 HE1 TYR 21 HE1 TYR 21 11.355 2.587 2.963 16 HE2 TYR 21 HE2 TYR 21 15.572 3.183 2.716 17 HH TYR 21 HH TYR 21 12.941 2.150 4.686 18 H ILE 22 HN ILE 22 10.684 1.085 -2.482 19 HA ILE 22 HA ILE 22 10.806 1.932 -5.300 20 HB ILE 22 HB ILE 22 8.833 0.441 -5.646 21 HG12 ILE 22 HG12 ILE 22 9.496 -0.691 -2.925 22 HG13 ILE 22 HG11 ILE 22 8.185 0.455 -3.191 23 HG21 ILE 22 HG21 ILE 22 10.111 -1.663 -5.581 24 HG22 ILE 22 HG22 ILE 22 11.331 -0.870 -4.583 25 HG23 ILE 22 HG23 ILE 22 11.051 -0.323 -6.236 26 HD11 ILE 22 HD11 ILE 22 7.059 -1.096 -4.633 27 HD12 ILE 22 HD12 ILE 22 7.446 -1.894 -3.109 28 HD13 ILE 22 HD13 ILE 22 8.416 -2.218 -4.547 29 H LYS 23 HN LYS 23 9.013 3.075 -6.181 30 HA LYS 23 HA LYS 23 7.606 4.666 -4.165 31 HB2 LYS 23 HB2 LYS 23 8.959 5.763 -6.000 32 HB3 LYS 23 HB1 LYS 23 7.748 5.183 -7.134 33 HG2 LYS 23 HG2 LYS 23 6.043 6.420 -5.709 34 HG3 LYS 23 HG1 LYS 23 7.425 7.198 -4.935 35 HD2 LYS 23 HD2 LYS 23 6.807 7.250 -7.890 36 HD3 LYS 23 HD1 LYS 23 6.499 8.564 -6.755 37 HE2 LYS 23 HE2 LYS 23 8.885 8.749 -6.298 38 HE3 LYS 23 HE1 LYS 23 9.211 7.401 -7.388 39 HZ1 LYS 23 HZ1 LYS 23 8.329 8.719 -9.217 40 HZ2 LYS 23 HZ2 LYS 23 9.619 9.518 -8.467 41 HZ3 LYS 23 HZ3 LYS 23 8.030 10.014 -8.167 42 H LEU 24 HN LEU 24 5.702 3.859 -3.593 43 HA LEU 24 HA LEU 24 3.971 2.719 -5.682 44 HB2 LEU 24 HB2 LEU 24 3.977 2.260 -2.697 45 HB3 LEU 24 HB1 LEU 24 2.769 1.616 -3.793 46 HG LEU 24 HG LEU 24 5.715 0.959 -3.901 47 HD11 LEU 24 HD11 LEU 24 4.703 0.056 -1.891 48 HD12 LEU 24 HD12 LEU 24 5.036 -1.236 -3.044 49 HD13 LEU 24 HD13 LEU 24 3.390 -0.638 -2.840 50 HD21 LEU 24 HD21 LEU 24 4.734 0.756 -6.075 51 HD22 LEU 24 HD22 LEU 24 3.336 -0.096 -5.420 52 HD23 LEU 24 HD23 LEU 24 4.923 -0.864 -5.406 53 H LYS 25 HN LYS 25 2.398 4.018 -6.332 54 HA LYS 25 HA LYS 25 1.607 6.283 -4.705 55 HB2 LYS 25 HB2 LYS 25 0.940 5.413 -7.506 56 HB3 LYS 25 HB1 LYS 25 0.121 6.760 -6.731 57 HG2 LYS 25 HG2 LYS 25 2.321 7.849 -6.409 58 HG3 LYS 25 HG1 LYS 25 3.061 6.533 -7.325 59 HD2 LYS 25 HD2 LYS 25 1.857 7.115 -9.292 60 HD3 LYS 25 HD1 LYS 25 0.829 8.241 -8.404 61 HE2 LYS 25 HE2 LYS 25 2.748 9.676 -7.977 62 HE3 LYS 25 HE1 LYS 25 3.801 8.536 -8.811 63 HZ1 LYS 25 HZ1 LYS 25 2.553 8.933 -10.845 64 HZ2 LYS 25 HZ2 LYS 25 3.201 10.375 -10.245 65 HZ3 LYS 25 HZ3 LYS 25 1.556 10.040 -10.042 66 H VAL 26 HN VAL 26 0.234 5.826 -3.101 67 HA VAL 26 HA VAL 26 -1.912 3.901 -3.507 68 HB VAL 26 HB VAL 26 -1.226 5.516 -1.039 69 HG11 VAL 26 HG11 VAL 26 -3.548 4.810 -1.048 70 HG12 VAL 26 HG12 VAL 26 -2.634 3.876 0.137 71 HG13 VAL 26 HG13 VAL 26 -3.064 3.154 -1.414 72 HG21 VAL 26 HG21 VAL 26 0.591 4.031 -1.582 73 HG22 VAL 26 HG22 VAL 26 -0.525 2.686 -1.811 74 HG23 VAL 26 HG23 VAL 26 -0.293 3.375 -0.204 75 H ILE 27 HN ILE 27 -3.444 4.755 -4.778 76 HA ILE 27 HA ILE 27 -4.422 7.463 -4.231 77 HB ILE 27 HB ILE 27 -4.760 5.648 -6.612 78 HG12 ILE 27 HG12 ILE 27 -3.441 8.342 -6.224 79 HG13 ILE 27 HG11 ILE 27 -2.608 6.808 -6.444 80 HG21 ILE 27 HG21 ILE 27 -5.966 8.368 -6.129 81 HG22 ILE 27 HG22 ILE 27 -6.848 6.842 -6.175 82 HG23 ILE 27 HG23 ILE 27 -6.055 7.446 -7.630 83 HD11 ILE 27 HD11 ILE 27 -2.596 8.112 -8.486 84 HD12 ILE 27 HD12 ILE 27 -4.359 8.181 -8.471 85 HD13 ILE 27 HD13 ILE 27 -3.539 6.636 -8.697 86 H GLY 28 HN GLY 28 -6.182 7.681 -3.057 87 HA2 GLY 28 HA2 GLY 28 -7.874 5.433 -2.444 88 HA3 GLY 28 HA1 GLY 28 -8.052 7.072 -1.838 89 H GLN 29 HN GLN 29 -10.375 6.598 -2.196 90 HA GLN 29 HA GLN 29 -11.091 6.983 -5.026 91 HB2 GLN 29 HB2 GLN 29 -11.822 4.869 -3.559 92 HB3 GLN 29 HB1 GLN 29 -13.130 5.965 -3.124 93 HG2 GLN 29 HG2 GLN 29 -13.593 4.463 -5.066 94 HG3 GLN 29 HG1 GLN 29 -13.813 6.187 -5.377 95 HE21 GLN 29 HE21 GLN 29 -12.862 6.998 -7.110 96 HE22 GLN 29 HE22 GLN 29 -11.573 6.266 -7.997 97 H ASP 30 HN ASP 30 -10.414 9.181 -3.590 98 HA ASP 30 HA ASP 30 -12.742 10.797 -3.837 99 HB2 ASP 30 HB2 ASP 30 -12.637 11.629 -1.424 100 HB3 ASP 30 HB1 ASP 30 -13.359 10.043 -1.671 101 H SER 31 HN SER 31 -9.995 10.528 -4.752 102 HA SER 31 HA SER 31 -8.365 11.883 -5.518 103 HB2 SER 31 HB2 SER 31 -10.085 13.617 -5.728 104 HB3 SER 31 HB1 SER 31 -9.809 14.096 -4.053 105 HG SER 31 HG SER 31 -7.480 14.260 -4.943 106 H SER 32 HN SER 32 -8.528 10.743 -2.631 107 HA SER 32 HA SER 32 -6.539 12.335 -1.243 108 HB2 SER 32 HB2 SER 32 -8.241 11.274 0.116 109 HB3 SER 32 HB1 SER 32 -7.894 9.700 -0.600 110 HG SER 32 HG SER 32 -5.646 10.736 0.425 111 H GLU 33 HN GLU 33 -4.515 12.207 -2.264 112 HA GLU 33 HA GLU 33 -3.646 9.452 -2.899 113 HB2 GLU 33 HB2 GLU 33 -3.707 11.140 -4.774 114 HB3 GLU 33 HB1 GLU 33 -2.411 11.998 -3.949 115 HG2 GLU 33 HG2 GLU 33 -0.941 10.111 -4.180 116 HG3 GLU 33 HG1 GLU 33 -2.242 9.134 -4.857 117 H ILE 34 HN ILE 34 -1.678 8.686 -2.180 118 HA ILE 34 HA ILE 34 -0.068 10.378 -0.438 119 HB ILE 34 HB ILE 34 -1.254 7.752 0.492 120 HG12 ILE 34 HG12 ILE 34 -1.591 10.578 1.523 121 HG13 ILE 34 HG11 ILE 34 -2.813 9.630 0.684 122 HG21 ILE 34 HG21 ILE 34 -0.028 8.123 2.579 123 HG22 ILE 34 HG22 ILE 34 0.735 9.550 1.875 124 HG23 ILE 34 HG23 ILE 34 1.066 7.952 1.206 125 HD11 ILE 34 HD11 ILE 34 -1.656 9.089 3.406 126 HD12 ILE 34 HD12 ILE 34 -2.775 8.020 2.562 127 HD13 ILE 34 HD13 ILE 34 -3.287 9.641 3.028 128 H HIS 35 HN HIS 35 2.120 9.924 -0.592 129 HA HIS 35 HA HIS 35 2.865 7.783 -2.411 130 HB2 HIS 35 HB2 HIS 35 4.190 10.196 -1.323 131 HB3 HIS 35 HB1 HIS 35 5.244 8.826 -1.655 132 HD1 HIS 35 HD1 HIS 35 5.041 11.638 -3.275 133 HD2 HIS 35 HD2 HIS 35 3.615 7.913 -4.436 134 HE1 HIS 35 HE1 HIS 35 4.889 11.691 -5.798 135 H PHE 36 HN PHE 36 4.163 6.047 -1.928 136 HA PHE 36 HA PHE 36 4.710 5.550 0.917 137 HB2 PHE 36 HB2 PHE 36 2.744 4.268 -0.687 138 HB3 PHE 36 HB1 PHE 36 4.016 3.097 -0.369 139 HD1 PHE 36 HD1 PHE 36 4.739 2.828 2.099 140 HD2 PHE 36 HD2 PHE 36 1.090 4.634 0.868 141 HE1 PHE 36 HE1 PHE 36 3.774 2.383 4.316 142 HE2 PHE 36 HE2 PHE 36 0.119 4.197 3.082 143 HZ PHE 36 HZ PHE 36 1.460 3.070 4.811 144 H LYS 37 HN LYS 37 6.882 5.413 1.018 145 HA LYS 37 HA LYS 37 8.352 4.077 -1.126 146 HB2 LYS 37 HB2 LYS 37 9.191 5.717 1.262 147 HB3 LYS 37 HB1 LYS 37 10.355 4.762 0.353 148 HG2 LYS 37 HG2 LYS 37 9.695 6.001 -1.691 149 HG3 LYS 37 HG1 LYS 37 8.661 7.020 -0.688 150 HD2 LYS 37 HD2 LYS 37 10.577 7.792 0.569 151 HD3 LYS 37 HD1 LYS 37 11.637 6.690 -0.311 152 HE2 LYS 37 HE2 LYS 37 11.114 7.877 -2.397 153 HE3 LYS 37 HE1 LYS 37 10.087 8.991 -1.496 154 HZ1 LYS 37 HZ1 LYS 37 13.010 8.635 -1.099 155 HZ2 LYS 37 HZ2 LYS 37 12.024 9.713 -0.248 156 HZ3 LYS 37 HZ3 LYS 37 12.275 9.929 -1.907 157 H VAL 38 HN VAL 38 8.367 1.924 -0.973 158 HA VAL 38 HA VAL 38 8.516 0.708 1.704 159 HB VAL 38 HB VAL 38 7.424 -0.465 -0.860 160 HG11 VAL 38 HG11 VAL 38 7.367 -1.630 1.920 161 HG12 VAL 38 HG12 VAL 38 8.442 -2.155 0.625 162 HG13 VAL 38 HG13 VAL 38 6.698 -2.351 0.456 163 HG21 VAL 38 HG21 VAL 38 5.967 1.250 0.026 164 HG22 VAL 38 HG22 VAL 38 6.018 0.506 1.623 165 HG23 VAL 38 HG23 VAL 38 5.249 -0.341 0.281 166 H LYS 39 HN LYS 39 10.165 -0.618 2.225 167 HA LYS 39 HA LYS 39 12.372 -0.883 0.410 168 HB2 LYS 39 HB2 LYS 39 11.846 -1.443 3.237 169 HB3 LYS 39 HB1 LYS 39 12.880 -2.644 2.476 170 HG2 LYS 39 HG2 LYS 39 14.349 -0.804 1.693 171 HG3 LYS 39 HG1 LYS 39 13.350 0.326 2.613 172 HD2 LYS 39 HD2 LYS 39 13.910 -0.794 4.676 173 HD3 LYS 39 HD1 LYS 39 14.796 -2.043 3.799 174 HE2 LYS 39 HE2 LYS 39 16.369 -0.335 2.993 175 HE3 LYS 39 HE1 LYS 39 15.493 0.891 3.907 176 HZ1 LYS 39 HZ1 LYS 39 16.056 -0.257 5.944 177 HZ2 LYS 39 HZ2 LYS 39 17.464 0.109 5.081 178 HZ3 LYS 39 HZ3 LYS 39 16.858 -1.471 5.081 179 H MET 40 HN MET 40 13.194 -2.818 -0.500 180 HA MET 40 HA MET 40 11.155 -4.635 -1.356 181 HB2 MET 40 HB2 MET 40 14.139 -4.670 -1.827 182 HB3 MET 40 HB1 MET 40 12.985 -5.738 -2.615 183 HG2 MET 40 HG2 MET 40 11.837 -3.558 -3.378 184 HG3 MET 40 HG1 MET 40 13.369 -2.794 -2.962 185 HE1 MET 40 HE1 MET 40 15.839 -4.767 -5.340 186 HE2 MET 40 HE2 MET 40 15.371 -5.268 -3.716 187 HE3 MET 40 HE3 MET 40 15.718 -3.572 -4.050 188 H THR 41 HN THR 41 13.028 -4.519 1.396 189 HA THR 41 HA THR 41 13.316 -7.386 1.747 190 HB THR 41 HB THR 41 13.729 -5.477 4.007 191 HG1 THR 41 HG1 THR 41 15.732 -5.791 2.027 192 HG21 THR 41 HG21 THR 41 14.138 -7.883 4.291 193 HG22 THR 41 HG22 THR 41 15.625 -6.950 4.466 194 HG23 THR 41 HG23 THR 41 15.309 -7.836 2.973 195 H THR 42 HN THR 42 11.165 -4.809 2.656 196 HA THR 42 HA THR 42 9.785 -6.403 4.654 197 HB THR 42 HB THR 42 8.276 -4.420 4.842 198 HG1 THR 42 HG1 THR 42 9.183 -3.796 2.515 199 HG21 THR 42 HG21 THR 42 11.230 -3.843 5.087 200 HG22 THR 42 HG22 THR 42 10.216 -4.614 6.305 201 HG23 THR 42 HG23 THR 42 9.940 -2.928 5.868 202 H HIS 43 HN HIS 43 7.599 -7.018 4.512 203 HA HIS 43 HA HIS 43 6.760 -7.795 1.872 204 HB2 HIS 43 HB2 HIS 43 5.408 -8.115 4.563 205 HB3 HIS 43 HB1 HIS 43 4.827 -8.823 3.061 206 HD1 HIS 43 HD1 HIS 43 7.311 -9.330 5.775 207 HD2 HIS 43 HD2 HIS 43 6.410 -10.937 2.051 208 HE1 HIS 43 HE1 HIS 43 8.575 -11.514 5.621 209 H LEU 44 HN LEU 44 4.344 -7.471 1.318 210 HA LEU 44 HA LEU 44 3.899 -4.644 1.163 211 HB2 LEU 44 HB2 LEU 44 2.281 -7.001 0.221 212 HB3 LEU 44 HB1 LEU 44 1.788 -5.337 -0.032 213 HG LEU 44 HG LEU 44 4.188 -6.738 -1.186 214 HD11 LEU 44 HD11 LEU 44 3.142 -6.553 -3.223 215 HD12 LEU 44 HD12 LEU 44 2.126 -5.212 -2.701 216 HD13 LEU 44 HD13 LEU 44 1.775 -6.849 -2.150 217 HD21 LEU 44 HD21 LEU 44 4.990 -4.586 -0.576 218 HD22 LEU 44 HD22 LEU 44 3.516 -3.805 -1.152 219 HD23 LEU 44 HD23 LEU 44 4.635 -4.535 -2.303 220 H LYS 45 HN LYS 45 3.107 -7.004 3.429 221 HA LYS 45 HA LYS 45 0.589 -5.994 4.285 222 HB2 LYS 45 HB2 LYS 45 1.480 -8.294 4.800 223 HB3 LYS 45 HB1 LYS 45 2.583 -7.541 5.946 224 HG2 LYS 45 HG2 LYS 45 0.656 -6.639 7.176 225 HG3 LYS 45 HG1 LYS 45 -0.424 -7.466 6.054 226 HD2 LYS 45 HD2 LYS 45 0.505 -9.616 6.737 227 HD3 LYS 45 HD1 LYS 45 1.609 -8.795 7.843 228 HE2 LYS 45 HE2 LYS 45 -0.273 -7.931 9.114 229 HE3 LYS 45 HE1 LYS 45 -1.401 -8.672 7.981 230 HZ1 LYS 45 HZ1 LYS 45 -1.137 -9.993 9.988 231 HZ2 LYS 45 HZ2 LYS 45 0.522 -10.147 9.695 232 HZ3 LYS 45 HZ3 LYS 45 -0.593 -10.842 8.629 233 H LYS 46 HN LYS 46 3.911 -5.148 4.883 234 HA LYS 46 HA LYS 46 3.499 -3.620 7.240 235 HB2 LYS 46 HB2 LYS 46 5.681 -3.612 5.156 236 HB3 LYS 46 HB1 LYS 46 5.706 -2.542 6.552 237 HG2 LYS 46 HG2 LYS 46 5.616 -5.551 6.679 238 HG3 LYS 46 HG1 LYS 46 7.067 -4.563 6.873 239 HD2 LYS 46 HD2 LYS 46 6.078 -3.484 8.829 240 HD3 LYS 46 HD1 LYS 46 4.611 -4.442 8.625 241 HE2 LYS 46 HE2 LYS 46 5.943 -6.493 8.943 242 HE3 LYS 46 HE1 LYS 46 7.369 -5.496 9.229 243 HZ1 LYS 46 HZ1 LYS 46 6.356 -6.202 11.304 244 HZ2 LYS 46 HZ2 LYS 46 4.891 -5.478 10.867 245 HZ3 LYS 46 HZ3 LYS 46 6.257 -4.520 11.142 246 H LEU 47 HN LEU 47 3.344 -2.936 3.813 247 HA LEU 47 HA LEU 47 3.042 -0.115 4.034 248 HB2 LEU 47 HB2 LEU 47 3.686 -0.780 1.909 249 HB3 LEU 47 HB1 LEU 47 2.622 -2.170 1.905 250 HG LEU 47 HG LEU 47 1.200 0.397 1.919 251 HD11 LEU 47 HD11 LEU 47 1.668 0.900 -0.425 252 HD12 LEU 47 HD12 LEU 47 2.893 -0.368 -0.454 253 HD13 LEU 47 HD13 LEU 47 3.117 1.052 0.568 254 HD21 LEU 47 HD21 LEU 47 -0.084 -0.722 0.161 255 HD22 LEU 47 HD22 LEU 47 0.089 -1.749 1.584 256 HD23 LEU 47 HD23 LEU 47 1.077 -2.050 0.155 257 H LYS 48 HN LYS 48 0.895 -2.867 4.024 258 HA LYS 48 HA LYS 48 -1.562 -1.470 3.838 259 HB2 LYS 48 HB2 LYS 48 -1.045 -3.956 3.418 260 HB3 LYS 48 HB1 LYS 48 -1.172 -4.148 5.159 261 HG2 LYS 48 HG2 LYS 48 -3.469 -3.359 5.099 262 HG3 LYS 48 HG1 LYS 48 -3.347 -3.104 3.357 263 HD2 LYS 48 HD2 LYS 48 -2.930 -5.494 3.035 264 HD3 LYS 48 HD1 LYS 48 -3.047 -5.750 4.777 265 HE2 LYS 48 HE2 LYS 48 -5.371 -4.896 4.696 266 HE3 LYS 48 HE1 LYS 48 -5.235 -4.784 2.941 267 HZ1 LYS 48 HZ1 LYS 48 -4.969 -7.277 4.533 268 HZ2 LYS 48 HZ2 LYS 48 -4.863 -7.165 2.849 269 HZ3 LYS 48 HZ3 LYS 48 -6.326 -6.829 3.628 270 H GLU 49 HN GLU 49 0.394 -2.611 6.559 271 HA GLU 49 HA GLU 49 -1.471 -1.936 8.592 272 HB2 GLU 49 HB2 GLU 49 1.518 -2.377 8.686 273 HB3 GLU 49 HB1 GLU 49 0.521 -2.137 10.113 274 HG2 GLU 49 HG2 GLU 49 -0.655 -4.166 9.731 275 HG3 GLU 49 HG1 GLU 49 0.071 -4.355 8.135 276 H SER 50 HN SER 50 1.276 -0.254 7.151 277 HA SER 50 HA SER 50 1.251 1.958 8.922 278 HB2 SER 50 HB2 SER 50 2.406 1.605 6.153 279 HB3 SER 50 HB1 SER 50 2.665 3.041 7.144 280 HG SER 50 HG SER 50 3.505 0.387 7.628 281 H TYR 51 HN TYR 51 -0.324 1.322 5.831 282 HA TYR 51 HA TYR 51 -1.284 3.975 5.453 283 HB2 TYR 51 HB2 TYR 51 -1.039 2.361 3.599 284 HB3 TYR 51 HB1 TYR 51 -2.326 1.383 4.292 285 HD1 TYR 51 HD1 TYR 51 -1.823 4.986 3.387 286 HD2 TYR 51 HD2 TYR 51 -4.355 1.571 3.236 287 HE1 TYR 51 HE1 TYR 51 -3.485 6.279 2.120 288 HE2 TYR 51 HE2 TYR 51 -6.024 2.859 1.969 289 HH TYR 51 HH TYR 51 -5.340 5.921 0.613 290 H CYS 52 HN CYS 52 -2.594 1.092 6.993 291 HA CYS 52 HA CYS 52 -5.234 2.052 7.321 292 HB2 CYS 52 HB2 CYS 52 -3.653 -0.139 8.632 293 HB3 CYS 52 HB1 CYS 52 -5.293 0.240 9.148 294 HG CYS 52 HG CYS 52 -6.576 -0.739 7.073 295 H GLN 53 HN GLN 53 -2.361 2.264 9.388 296 HA GLN 53 HA GLN 53 -3.837 3.403 11.577 297 HB2 GLN 53 HB2 GLN 53 -1.638 3.751 12.628 298 HB3 GLN 53 HB1 GLN 53 -1.854 2.101 12.067 299 HG2 GLN 53 HG2 GLN 53 0.215 2.388 11.260 300 HG3 GLN 53 HG1 GLN 53 -0.627 3.169 9.924 301 HE21 GLN 53 HE21 GLN 53 1.110 4.480 9.423 302 HE22 GLN 53 HE22 GLN 53 1.592 5.808 10.418 303 H ARG 54 HN ARG 54 -2.120 4.633 8.813 304 HA ARG 54 HA ARG 54 -2.033 7.349 9.823 305 HB2 ARG 54 HB2 ARG 54 -0.269 6.293 8.337 306 HB3 ARG 54 HB1 ARG 54 -1.430 6.394 7.022 307 HG2 ARG 54 HG2 ARG 54 0.006 8.252 6.810 308 HG3 ARG 54 HG1 ARG 54 -1.524 8.872 7.432 309 HD2 ARG 54 HD2 ARG 54 0.325 9.903 8.607 310 HD3 ARG 54 HD1 ARG 54 -0.579 8.861 9.704 311 HE ARG 54 HE ARG 54 1.456 7.299 8.714 312 HH11 ARG 54 HH11 ARG 54 1.232 10.304 10.471 313 HH12 ARG 54 HH12 ARG 54 2.728 10.071 11.314 314 HH21 ARG 54 HH21 ARG 54 3.427 6.988 9.818 315 HH22 ARG 54 HH22 ARG 54 3.975 8.186 10.944 316 H GLN 55 HN GLN 55 -4.378 5.426 8.398 317 HA GLN 55 HA GLN 55 -5.757 7.788 7.296 318 HB2 GLN 55 HB2 GLN 55 -5.026 5.929 5.686 319 HB3 GLN 55 HB1 GLN 55 -6.280 4.951 6.432 320 HG2 GLN 55 HG2 GLN 55 -7.184 5.867 4.450 321 HG3 GLN 55 HG1 GLN 55 -7.923 6.724 5.800 322 HE21 GLN 55 HE21 GLN 55 -7.455 8.880 6.125 323 HE22 GLN 55 HE22 GLN 55 -6.646 9.848 4.944 324 H GLY 56 HN GLY 56 -5.873 5.353 9.695 325 HA2 GLY 56 HA2 GLY 56 -7.481 4.870 11.271 326 HA3 GLY 56 HA1 GLY 56 -8.337 6.299 10.724 327 H VAL 57 HN VAL 57 -7.595 3.074 9.380 328 HA VAL 57 HA VAL 57 -10.450 2.547 9.063 329 HB VAL 57 HB VAL 57 -8.506 2.576 6.740 330 HG11 VAL 57 HG11 VAL 57 -10.478 1.858 5.411 331 HG12 VAL 57 HG12 VAL 57 -11.347 1.593 6.922 332 HG13 VAL 57 HG13 VAL 57 -9.907 0.644 6.553 333 HG21 VAL 57 HG21 VAL 57 -10.048 4.220 5.792 334 HG22 VAL 57 HG22 VAL 57 -9.394 4.773 7.334 335 HG23 VAL 57 HG23 VAL 57 -11.037 4.137 7.250 336 HA PRO 58 HA PRO 58 -8.885 -1.363 10.544 337 HB2 PRO 58 HB2 PRO 58 -10.979 -2.919 9.784 338 HB3 PRO 58 HB1 PRO 58 -10.999 -1.868 11.210 339 HG2 PRO 58 HG2 PRO 58 -11.943 -1.244 8.453 340 HG3 PRO 58 HG1 PRO 58 -12.881 -1.105 9.938 341 HD2 PRO 58 HD2 PRO 58 -11.736 1.066 9.005 342 HD3 PRO 58 HD1 PRO 58 -11.489 0.673 10.723 343 H MET 59 HN MET 59 -7.652 -2.909 9.791 344 HA MET 59 HA MET 59 -6.447 -2.973 7.404 345 HB2 MET 59 HB2 MET 59 -5.909 -4.318 9.452 346 HB3 MET 59 HB1 MET 59 -7.116 -5.479 8.936 347 HG2 MET 59 HG2 MET 59 -5.045 -6.361 8.277 348 HG3 MET 59 HG1 MET 59 -5.781 -5.730 6.805 349 HE1 MET 59 HE1 MET 59 -4.176 -3.198 9.496 350 HE2 MET 59 HE2 MET 59 -2.480 -3.573 9.199 351 HE3 MET 59 HE3 MET 59 -3.562 -4.821 9.812 352 H ASN 60 HN ASN 60 -9.542 -4.482 8.062 353 HA ASN 60 HA ASN 60 -9.622 -5.921 5.574 354 HB2 ASN 60 HB2 ASN 60 -11.890 -6.556 6.264 355 HB3 ASN 60 HB1 ASN 60 -10.723 -6.830 7.553 356 HD21 ASN 60 HD21 ASN 60 -13.701 -5.598 6.832 357 HD22 ASN 60 HD22 ASN 60 -13.930 -4.584 8.212 358 H SER 61 HN SER 61 -11.572 -3.304 6.943 359 HA SER 61 HA SER 61 -13.388 -2.589 5.298 360 HB2 SER 61 HB2 SER 61 -12.617 -1.172 7.069 361 HB3 SER 61 HB1 SER 61 -11.265 -0.596 6.113 362 HG SER 61 HG SER 61 -13.956 0.053 6.077 363 H LEU 62 HN LEU 62 -10.010 -2.142 4.243 364 HA LEU 62 HA LEU 62 -11.043 -1.207 1.670 365 HB2 LEU 62 HB2 LEU 62 -8.155 -1.349 2.429 366 HB3 LEU 62 HB1 LEU 62 -8.911 -0.361 1.202 367 HG LEU 62 HG LEU 62 -9.111 0.036 4.188 368 HD11 LEU 62 HD11 LEU 62 -7.874 1.789 2.082 369 HD12 LEU 62 HD12 LEU 62 -6.960 0.574 2.975 370 HD13 LEU 62 HD13 LEU 62 -7.718 1.916 3.833 371 HD21 LEU 62 HD21 LEU 62 -10.214 2.203 3.444 372 HD22 LEU 62 HD22 LEU 62 -11.189 0.740 3.299 373 HD23 LEU 62 HD23 LEU 62 -10.426 1.439 1.869 374 H ARG 63 HN ARG 63 -8.846 -1.807 0.107 375 HA ARG 63 HA ARG 63 -8.124 -4.548 -0.004 376 HB2 ARG 63 HB2 ARG 63 -10.432 -4.904 -0.734 377 HB3 ARG 63 HB1 ARG 63 -10.304 -3.582 -1.886 378 HG2 ARG 63 HG2 ARG 63 -8.480 -4.922 -3.017 379 HG3 ARG 63 HG1 ARG 63 -8.977 -6.273 -1.996 380 HD2 ARG 63 HD2 ARG 63 -10.929 -4.782 -3.727 381 HD3 ARG 63 HD1 ARG 63 -9.972 -6.118 -4.353 382 HE ARG 63 HE ARG 63 -11.267 -6.969 -2.021 383 HH11 ARG 63 HH11 ARG 63 -12.025 -6.005 -5.283 384 HH12 ARG 63 HH12 ARG 63 -13.449 -6.987 -5.383 385 HH21 ARG 63 HH21 ARG 63 -13.134 -8.287 -2.150 386 HH22 ARG 63 HH22 ARG 63 -14.080 -8.283 -3.601 387 H PHE 64 HN PHE 64 -6.294 -4.600 -1.285 388 HA PHE 64 HA PHE 64 -5.744 -2.182 -2.882 389 HB2 PHE 64 HB2 PHE 64 -3.720 -4.030 -1.609 390 HB3 PHE 64 HB1 PHE 64 -3.394 -2.495 -2.404 391 HD1 PHE 64 HD1 PHE 64 -5.444 -3.864 0.403 392 HD2 PHE 64 HD2 PHE 64 -3.092 -0.639 -1.085 393 HE1 PHE 64 HE1 PHE 64 -5.728 -2.682 2.555 394 HE2 PHE 64 HE2 PHE 64 -3.368 0.556 1.059 395 HZ PHE 64 HZ PHE 64 -4.690 -0.467 2.885 396 H LEU 65 HN LEU 65 -4.911 -2.366 -4.944 397 HA LEU 65 HA LEU 65 -4.670 -5.098 -6.004 398 HB2 LEU 65 HB2 LEU 65 -5.907 -2.835 -7.527 399 HB3 LEU 65 HB1 LEU 65 -5.860 -4.523 -7.970 400 HG LEU 65 HG LEU 65 -7.509 -3.327 -5.740 401 HD11 LEU 65 HD11 LEU 65 -9.372 -3.701 -7.193 402 HD12 LEU 65 HD12 LEU 65 -8.356 -4.530 -8.372 403 HD13 LEU 65 HD13 LEU 65 -8.161 -2.799 -8.104 404 HD21 LEU 65 HD21 LEU 65 -6.825 -5.601 -5.198 405 HD22 LEU 65 HD22 LEU 65 -7.332 -6.154 -6.795 406 HD23 LEU 65 HD23 LEU 65 -8.531 -5.572 -5.642 407 H PHE 66 HN PHE 66 -3.541 -5.319 -8.013 408 HA PHE 66 HA PHE 66 -1.843 -3.148 -8.927 409 HB2 PHE 66 HB2 PHE 66 -0.501 -4.151 -7.121 410 HB3 PHE 66 HB1 PHE 66 -0.694 -5.741 -7.849 411 HD1 PHE 66 HD1 PHE 66 0.292 -2.353 -9.072 412 HD2 PHE 66 HD2 PHE 66 1.218 -6.504 -8.848 413 HE1 PHE 66 HE1 PHE 66 2.304 -1.970 -10.456 414 HE2 PHE 66 HE2 PHE 66 3.234 -6.140 -10.234 415 HZ PHE 66 HZ PHE 66 3.778 -3.868 -11.042 416 H GLU 67 HN GLU 67 -1.210 -3.470 -11.081 417 HA GLU 67 HA GLU 67 -1.584 -4.199 -13.228 418 HB2 GLU 67 HB2 GLU 67 -0.958 -6.778 -11.781 419 HB3 GLU 67 HB1 GLU 67 -1.178 -6.704 -13.519 420 HG2 GLU 67 HG2 GLU 67 0.719 -5.151 -13.677 421 HG3 GLU 67 HG1 GLU 67 0.947 -5.275 -11.934 422 H GLY 68 HN GLY 68 -3.877 -3.941 -11.428 423 HA2 GLY 68 HA2 GLY 68 -6.159 -4.189 -11.861 424 HA3 GLY 68 HA1 GLY 68 -5.774 -5.446 -13.030 425 H GLN 69 HN GLN 69 -4.283 -7.201 -11.462 426 HA GLN 69 HA GLN 69 -6.421 -8.438 -10.016 427 HB2 GLN 69 HB2 GLN 69 -3.588 -9.291 -10.545 428 HB3 GLN 69 HB1 GLN 69 -4.712 -10.248 -9.588 429 HG2 GLN 69 HG2 GLN 69 -6.270 -10.116 -11.608 430 HG3 GLN 69 HG1 GLN 69 -4.860 -9.551 -12.501 431 HE21 GLN 69 HE21 GLN 69 -6.649 -12.176 -11.889 432 HE22 GLN 69 HE22 GLN 69 -5.468 -13.420 -12.097 433 H ARG 70 HN ARG 70 -6.501 -9.118 -7.920 434 HA ARG 70 HA ARG 70 -5.945 -7.277 -5.964 435 HB2 ARG 70 HB2 ARG 70 -7.609 -9.135 -5.896 436 HB3 ARG 70 HB1 ARG 70 -6.290 -10.232 -5.521 437 HG2 ARG 70 HG2 ARG 70 -5.967 -9.325 -3.419 438 HG3 ARG 70 HG1 ARG 70 -6.821 -7.831 -3.829 439 HD2 ARG 70 HD2 ARG 70 -8.884 -9.258 -4.133 440 HD3 ARG 70 HD1 ARG 70 -7.976 -10.567 -3.375 441 HE ARG 70 HE ARG 70 -7.729 -8.479 -1.643 442 HH11 ARG 70 HH11 ARG 70 -10.418 -10.153 -3.086 443 HH12 ARG 70 HH12 ARG 70 -11.479 -9.875 -1.746 444 HH21 ARG 70 HH21 ARG 70 -9.116 -8.094 0.127 445 HH22 ARG 70 HH22 ARG 70 -10.739 -8.698 0.084 446 H ILE 71 HN ILE 71 -4.741 -7.686 -3.899 447 HA ILE 71 HA ILE 71 -2.037 -8.673 -4.515 448 HB ILE 71 HB ILE 71 -2.886 -6.316 -2.842 449 HG12 ILE 71 HG12 ILE 71 -0.987 -6.650 -5.177 450 HG13 ILE 71 HG11 ILE 71 -2.597 -5.943 -5.251 451 HG21 ILE 71 HG21 ILE 71 -1.242 -7.572 -1.562 452 HG22 ILE 71 HG22 ILE 71 -0.529 -6.083 -2.184 453 HG23 ILE 71 HG23 ILE 71 -0.171 -7.626 -2.961 454 HD11 ILE 71 HD11 ILE 71 -1.074 -4.148 -5.259 455 HD12 ILE 71 HD12 ILE 71 -0.146 -4.830 -3.925 456 HD13 ILE 71 HD13 ILE 71 -1.764 -4.192 -3.638 457 H ALA 72 HN ALA 72 -1.307 -10.251 -3.344 458 HA ALA 72 HA ALA 72 -2.728 -11.517 -1.275 459 HB1 ALA 72 HB1 ALA 72 -1.161 -12.721 -2.763 460 HB2 ALA 72 HB2 ALA 72 -0.774 -12.972 -1.061 461 HB3 ALA 72 HB3 ALA 72 0.187 -11.853 -2.028 462 H ASP 73 HN ASP 73 -2.163 -11.723 0.930 463 HA ASP 73 HA ASP 73 -1.330 -9.277 2.131 464 HB2 ASP 73 HB2 ASP 73 -3.056 -11.044 2.940 465 HB3 ASP 73 HB1 ASP 73 -1.652 -11.863 3.617 466 H ASN 74 HN ASN 74 0.264 -12.192 1.239 467 HA ASN 74 HA ASN 74 2.618 -11.555 2.882 468 HB2 ASN 74 HB2 ASN 74 1.781 -14.062 1.423 469 HB3 ASN 74 HB1 ASN 74 3.379 -13.857 2.133 470 HD21 ASN 74 HD21 ASN 74 1.724 -12.135 4.177 471 HD22 ASN 74 HD22 ASN 74 1.203 -13.331 5.307 472 H HIS 75 HN HIS 75 1.421 -10.895 -0.069 473 HA HIS 75 HA HIS 75 3.368 -11.435 -1.949 474 HB2 HIS 75 HB2 HIS 75 1.047 -9.840 -1.781 475 HB3 HIS 75 HB1 HIS 75 2.330 -8.776 -2.343 476 HD1 HIS 75 HD1 HIS 75 3.857 -10.300 -4.301 477 HD2 HIS 75 HD2 HIS 75 -0.227 -10.853 -3.950 478 HE1 HIS 75 HE1 HIS 75 3.099 -11.262 -6.504 479 H THR 76 HN THR 76 4.770 -9.755 -3.022 480 HA THR 76 HA THR 76 5.892 -7.533 -1.708 481 HB THR 76 HB THR 76 7.499 -10.117 -1.486 482 HG1 THR 76 HG1 THR 76 7.530 -9.381 0.789 483 HG21 THR 76 HG21 THR 76 8.821 -8.102 -2.225 484 HG22 THR 76 HG22 THR 76 9.339 -8.801 -0.693 485 HG23 THR 76 HG23 THR 76 8.366 -7.331 -0.707 486 HA PRO 77 HA PRO 77 7.065 -6.990 -5.952 487 HB2 PRO 77 HB2 PRO 77 9.637 -6.052 -4.689 488 HB3 PRO 77 HB1 PRO 77 8.757 -5.366 -6.069 489 HG2 PRO 77 HG2 PRO 77 8.407 -4.214 -3.761 490 HG3 PRO 77 HG1 PRO 77 6.953 -4.658 -4.684 491 HD2 PRO 77 HD2 PRO 77 8.229 -6.114 -2.365 492 HD3 PRO 77 HD1 PRO 77 6.511 -5.746 -2.633 493 H LYS 78 HN LYS 78 8.699 -8.906 -3.697 494 HA LYS 78 HA LYS 78 10.738 -10.114 -5.214 495 HB2 LYS 78 HB2 LYS 78 10.534 -10.370 -2.769 496 HB3 LYS 78 HB1 LYS 78 9.004 -11.202 -2.970 497 HG2 LYS 78 HG2 LYS 78 10.198 -13.035 -4.128 498 HG3 LYS 78 HG1 LYS 78 11.721 -12.207 -3.789 499 HD2 LYS 78 HD2 LYS 78 11.326 -12.379 -1.403 500 HD3 LYS 78 HD1 LYS 78 9.737 -13.091 -1.689 501 HE2 LYS 78 HE2 LYS 78 10.840 -14.999 -2.814 502 HE3 LYS 78 HE1 LYS 78 12.406 -14.298 -2.408 503 HZ1 LYS 78 HZ1 LYS 78 10.341 -15.170 -0.456 504 HZ2 LYS 78 HZ2 LYS 78 11.839 -14.490 -0.061 505 HZ3 LYS 78 HZ3 LYS 78 11.771 -16.001 -0.820 506 H GLU 79 HN GLU 79 7.320 -10.263 -5.216 507 HA GLU 79 HA GLU 79 7.306 -12.570 -7.031 508 HB2 GLU 79 HB2 GLU 79 5.003 -11.550 -5.370 509 HB3 GLU 79 HB1 GLU 79 5.060 -13.037 -6.302 510 HG2 GLU 79 HG2 GLU 79 6.711 -12.417 -3.867 511 HG3 GLU 79 HG1 GLU 79 5.287 -13.455 -3.923 512 H LEU 80 HN LEU 80 6.173 -9.290 -6.504 513 HA LEU 80 HA LEU 80 4.612 -9.287 -8.945 514 HB2 LEU 80 HB2 LEU 80 5.084 -7.220 -6.827 515 HB3 LEU 80 HB1 LEU 80 4.171 -6.892 -8.288 516 HG LEU 80 HG LEU 80 3.453 -9.001 -6.249 517 HD11 LEU 80 HD11 LEU 80 3.184 -6.748 -5.347 518 HD12 LEU 80 HD12 LEU 80 1.617 -7.490 -5.664 519 HD13 LEU 80 HD13 LEU 80 2.260 -6.279 -6.773 520 HD21 LEU 80 HD21 LEU 80 2.346 -8.121 -8.874 521 HD22 LEU 80 HD22 LEU 80 1.254 -8.720 -7.626 522 HD23 LEU 80 HD23 LEU 80 2.553 -9.749 -8.231 523 H GLY 81 HN GLY 81 7.820 -8.598 -8.163 524 HA2 GLY 81 HA2 GLY 81 9.505 -7.497 -9.288 525 HA3 GLY 81 HA1 GLY 81 8.599 -7.939 -10.731 526 H MET 82 HN MET 82 7.276 -5.881 -8.249 527 HA MET 82 HA MET 82 6.568 -3.852 -10.062 528 HB2 MET 82 HB2 MET 82 6.894 -3.648 -7.060 529 HB3 MET 82 HB1 MET 82 5.988 -2.539 -8.078 530 HG2 MET 82 HG2 MET 82 4.496 -4.445 -8.687 531 HG3 MET 82 HG1 MET 82 5.341 -5.409 -7.480 532 HE1 MET 82 HE1 MET 82 3.724 -4.894 -4.393 533 HE2 MET 82 HE2 MET 82 5.208 -3.949 -4.467 534 HE3 MET 82 HE3 MET 82 5.101 -5.491 -5.320 535 H GLU 83 HN GLU 83 7.897 -2.456 -11.056 536 HA GLU 83 HA GLU 83 10.586 -1.992 -10.162 537 HB2 GLU 83 HB2 GLU 83 8.966 -1.404 -12.490 538 HB3 GLU 83 HB1 GLU 83 9.857 0.023 -11.992 539 HG2 GLU 83 HG2 GLU 83 11.975 -1.210 -12.165 540 HG3 GLU 83 HG1 GLU 83 11.103 -2.678 -12.592 541 H GLU 84 HN GLU 84 10.577 0.909 -10.773 542 HA GLU 84 HA GLU 84 9.515 1.822 -8.187 543 HB2 GLU 84 HB2 GLU 84 11.138 3.441 -10.164 544 HB3 GLU 84 HB1 GLU 84 10.902 3.762 -8.456 545 HG2 GLU 84 HG2 GLU 84 13.041 2.985 -8.443 546 HG3 GLU 84 HG1 GLU 84 12.163 1.480 -8.174 547 H GLU 85 HN GLU 85 8.456 4.059 -8.307 548 HA GLU 85 HA GLU 85 6.851 5.472 -9.078 549 HB2 GLU 85 HB2 GLU 85 8.384 5.737 -10.997 550 HB3 GLU 85 HB1 GLU 85 7.582 4.401 -11.805 551 HG2 GLU 85 HG2 GLU 85 6.788 6.455 -12.723 552 HG3 GLU 85 HG1 GLU 85 5.486 5.713 -11.794 553 H ASP 86 HN ASP 86 6.565 2.199 -9.202 554 HA ASP 86 HA ASP 86 4.343 1.595 -10.694 555 HB2 ASP 86 HB2 ASP 86 5.579 0.495 -8.265 556 HB3 ASP 86 HB1 ASP 86 3.867 0.121 -8.445 557 H VAL 87 HN VAL 87 2.160 0.942 -9.670 558 HA VAL 87 HA VAL 87 1.183 3.035 -7.860 559 HB VAL 87 HB VAL 87 -0.052 2.335 -10.537 560 HG11 VAL 87 HG11 VAL 87 -1.780 2.529 -8.817 561 HG12 VAL 87 HG12 VAL 87 -1.840 3.897 -9.926 562 HG13 VAL 87 HG13 VAL 87 -1.126 4.091 -8.326 563 HG21 VAL 87 HG21 VAL 87 1.815 3.956 -10.572 564 HG22 VAL 87 HG22 VAL 87 0.931 4.965 -9.429 565 HG23 VAL 87 HG23 VAL 87 0.277 4.682 -11.041 566 H ILE 88 HN ILE 88 -0.563 2.447 -6.605 567 HA ILE 88 HA ILE 88 -1.617 -0.286 -6.935 568 HB ILE 88 HB ILE 88 -0.806 1.018 -4.306 569 HG12 ILE 88 HG12 ILE 88 0.121 -1.491 -5.730 570 HG13 ILE 88 HG11 ILE 88 1.073 -0.039 -5.442 571 HG21 ILE 88 HG21 ILE 88 -2.226 -1.604 -4.814 572 HG22 ILE 88 HG22 ILE 88 -2.959 -0.158 -4.120 573 HG23 ILE 88 HG23 ILE 88 -1.686 -1.009 -3.243 574 HD11 ILE 88 HD11 ILE 88 0.037 -1.917 -3.322 575 HD12 ILE 88 HD12 ILE 88 0.996 -0.466 -3.034 576 HD13 ILE 88 HD13 ILE 88 1.697 -1.826 -3.911 577 H GLU 89 HN GLU 89 -3.790 -0.403 -6.684 578 HA GLU 89 HA GLU 89 -5.217 2.118 -6.166 579 HB2 GLU 89 HB2 GLU 89 -5.541 0.005 -8.100 580 HB3 GLU 89 HB1 GLU 89 -6.968 0.115 -7.096 581 HG2 GLU 89 HG2 GLU 89 -7.472 1.501 -8.869 582 HG3 GLU 89 HG1 GLU 89 -6.920 2.619 -7.624 583 H VAL 90 HN VAL 90 -6.780 2.197 -4.569 584 HA VAL 90 HA VAL 90 -7.124 -0.254 -2.939 585 HB VAL 90 HB VAL 90 -7.325 2.586 -1.875 586 HG11 VAL 90 HG11 VAL 90 -7.056 1.390 0.312 587 HG12 VAL 90 HG12 VAL 90 -7.175 -0.134 -0.569 588 HG13 VAL 90 HG13 VAL 90 -8.537 0.988 -0.556 589 HG21 VAL 90 HG21 VAL 90 -4.981 0.703 -1.670 590 HG22 VAL 90 HG22 VAL 90 -5.131 2.263 -0.861 591 HG23 VAL 90 HG23 VAL 90 -5.034 2.188 -2.620 592 H TYR 91 HN TYR 91 -9.237 -0.823 -2.638 593 HA TYR 91 HA TYR 91 -11.270 1.148 -3.448 594 HB2 TYR 91 HB2 TYR 91 -11.249 -1.825 -4.002 595 HB3 TYR 91 HB1 TYR 91 -12.624 -0.769 -4.294 596 HD1 TYR 91 HD1 TYR 91 -9.077 -1.340 -5.268 597 HD2 TYR 91 HD2 TYR 91 -12.832 0.384 -6.319 598 HE1 TYR 91 HE1 TYR 91 -8.223 -0.867 -7.537 599 HE2 TYR 91 HE2 TYR 91 -11.980 0.876 -8.588 600 HH TYR 91 HH TYR 91 -9.748 1.233 -9.689 601 H GLN 92 HN GLN 92 -12.979 1.362 -2.117 602 HA GLN 92 HA GLN 92 -12.887 0.442 0.538 603 HB2 GLN 92 HB2 GLN 92 -14.183 2.405 -0.008 604 HB3 GLN 92 HB1 GLN 92 -15.114 1.532 -1.207 605 HG2 GLN 92 HG2 GLN 92 -16.469 1.995 0.717 606 HG3 GLN 92 HG1 GLN 92 -16.204 0.260 0.581 607 HE21 GLN 92 HE21 GLN 92 -16.706 -0.053 2.744 608 HE22 GLN 92 HE22 GLN 92 -15.619 0.387 4.013 609 H GLU 93 HN GLU 93 -13.648 -1.491 1.413 610 HA GLU 93 HA GLU 93 -14.337 -3.545 -0.488 611 HB2 GLU 93 HB2 GLU 93 -12.890 -3.846 1.617 612 HB3 GLU 93 HB1 GLU 93 -14.410 -3.874 2.505 613 HG2 GLU 93 HG2 GLU 93 -13.626 -6.131 2.006 614 HG3 GLU 93 HG1 GLU 93 -15.161 -5.790 1.209 615 H GLN 94 HN GLN 94 -16.224 -4.619 -0.695 616 HA GLN 94 HA GLN 94 -18.578 -3.856 0.843 617 HB2 GLN 94 HB2 GLN 94 -19.808 -3.203 -1.186 618 HB3 GLN 94 HB1 GLN 94 -18.414 -2.150 -0.937 619 HG2 GLN 94 HG2 GLN 94 -17.142 -3.645 -2.507 620 HG3 GLN 94 HG1 GLN 94 -18.679 -4.420 -2.885 621 HE21 GLN 94 HE21 GLN 94 -19.762 -3.644 -4.518 622 HE22 GLN 94 HE22 GLN 94 -19.572 -2.072 -5.210 623 H THR 95 HN THR 95 -20.506 -5.089 -0.104 624 HA THR 95 HA THR 95 -19.848 -7.589 -1.479 625 HB THR 95 HB THR 95 -21.022 -8.957 0.184 626 HG1 THR 95 HG1 THR 95 -22.445 -7.419 1.043 627 HG21 THR 95 HG21 THR 95 -19.432 -8.810 2.059 628 HG22 THR 95 HG22 THR 95 -18.899 -7.232 1.480 629 HG23 THR 95 HG23 THR 95 -18.609 -8.674 0.505 630 H GLY 96 HN GLY 96 -21.961 -8.740 -2.031 631 HA2 GLY 96 HA2 GLY 96 -23.765 -6.899 -3.219 632 HA3 GLY 96 HA1 GLY 96 -24.002 -8.638 -3.104 633 H GLY 97 HN GLY 97 -26.272 -7.822 -2.821 634 HA2 GLY 97 HA2 GLY 97 -26.936 -7.837 0.019 635 HA3 GLY 97 HA1 GLY 97 -27.445 -6.401 -0.871 636 H1 ASP2705 HT1 ASP2705 16.978 -6.794 13.042 637 H2 ASP2705 HT2 ASP2705 17.451 -5.849 11.721 638 H3 ASP2705 HT3 ASP2705 18.218 -7.326 12.021 639 HA ASP2705 HA ASP2705 16.675 -7.517 10.186 640 HB2 ASP2705 HB2 ASP2705 17.109 -9.424 11.769 641 HB3 ASP2705 HB1 ASP2705 15.645 -8.966 12.635 642 H ASN2706 HN ASN2706 15.273 -6.256 13.142 643 HA ASN2706 HA ASN2706 12.678 -5.881 11.852 644 HB2 ASN2706 HB2 ASN2706 13.628 -5.543 14.696 645 HB3 ASN2706 HB1 ASN2706 12.042 -4.996 14.165 646 HD21 ASN2706 HD21 ASN2706 10.935 -6.409 15.472 647 HD22 ASN2706 HD22 ASN2706 10.892 -8.112 15.191 648 H GLU2707 HN GLU2707 15.501 -4.269 11.890 649 HA GLU2707 HA GLU2707 14.630 -1.607 12.464 650 HB2 GLU2707 HB2 GLU2707 17.102 -2.603 11.040 651 HB3 GLU2707 HB1 GLU2707 16.824 -0.935 11.521 652 HG2 GLU2707 HG2 GLU2707 18.121 -1.666 13.251 653 HG3 GLU2707 HG1 GLU2707 16.513 -1.986 13.896 654 H ILE2708 HN ILE2708 14.268 -3.638 9.754 655 HA ILE2708 HA ILE2708 14.297 -1.630 7.721 656 HB ILE2708 HB ILE2708 13.007 -3.375 6.380 657 HG12 ILE2708 HG12 ILE2708 13.693 -5.086 8.784 658 HG13 ILE2708 HG11 ILE2708 12.068 -4.581 8.333 659 HG21 ILE2708 HG21 ILE2708 15.013 -4.784 6.096 660 HG22 ILE2708 HG22 ILE2708 15.695 -4.067 7.556 661 HG23 ILE2708 HG23 ILE2708 15.388 -3.061 6.140 662 HD11 ILE2708 HD11 ILE2708 12.502 -6.868 7.658 663 HD12 ILE2708 HD12 ILE2708 13.885 -6.337 6.701 664 HD13 ILE2708 HD13 ILE2708 12.257 -5.835 6.250 665 H GLU2709 HN GLU2709 12.773 -0.204 7.182 666 HA GLU2709 HA GLU2709 9.981 -0.695 7.825 667 HB2 GLU2709 HB2 GLU2709 11.255 0.487 9.777 668 HB3 GLU2709 HB1 GLU2709 11.139 1.903 8.742 669 HG2 GLU2709 HG2 GLU2709 8.689 1.615 8.680 670 HG3 GLU2709 HG1 GLU2709 8.846 0.267 9.805 671 H VAL2710 HN VAL2710 8.523 0.825 6.845 672 HA VAL2710 HA VAL2710 9.611 1.943 4.369 673 HB VAL2710 HB VAL2710 7.375 1.907 3.498 674 HG11 VAL2710 HG11 VAL2710 8.604 -0.216 3.504 675 HG12 VAL2710 HG12 VAL2710 6.860 -0.463 3.607 676 HG13 VAL2710 HG13 VAL2710 7.861 -0.632 5.048 677 HG21 VAL2710 HG21 VAL2710 5.448 1.160 4.836 678 HG22 VAL2710 HG22 VAL2710 6.149 2.654 5.459 679 HG23 VAL2710 HG23 VAL2710 6.474 1.122 6.270 680 H ILE2711 HN ILE2711 8.783 4.023 3.595 681 HA ILE2711 HA ILE2711 8.328 5.903 5.823 682 HB ILE2711 HB ILE2711 9.290 6.805 3.131 683 HG12 ILE2711 HG12 ILE2711 11.151 5.902 5.336 684 HG13 ILE2711 HG11 ILE2711 10.745 4.894 3.951 685 HG21 ILE2711 HG21 ILE2711 10.309 8.588 4.453 686 HG22 ILE2711 HG22 ILE2711 9.757 7.813 5.937 687 HG23 ILE2711 HG23 ILE2711 8.583 8.457 4.790 688 HD11 ILE2711 HD11 ILE2711 12.871 5.996 3.622 689 HD12 ILE2711 HD12 ILE2711 12.114 7.572 3.857 690 HD13 ILE2711 HD13 ILE2711 11.687 6.588 2.458 691 H ILE2712 HN ILE2712 6.598 7.277 5.763 692 HA ILE2712 HA ILE2712 4.853 7.116 3.388 693 HB ILE2712 HB ILE2712 3.602 7.577 6.037 694 HG12 ILE2712 HG12 ILE2712 3.817 4.727 5.275 695 HG13 ILE2712 HG11 ILE2712 5.289 5.456 5.912 696 HG21 ILE2712 HG21 ILE2712 2.771 6.034 3.587 697 HG22 ILE2712 HG22 ILE2712 2.297 7.684 3.992 698 HG23 ILE2712 HG23 ILE2712 1.765 6.341 5.004 699 HD11 ILE2712 HD11 ILE2712 2.610 5.299 7.266 700 HD12 ILE2712 HD12 ILE2712 3.991 6.202 7.888 701 HD13 ILE2712 HD13 ILE2712 4.092 4.450 7.711 702 H VAL2713 HN VAL2713 5.173 9.126 2.502 703 HA VAL2713 HA VAL2713 4.024 11.303 3.758 704 HB VAL2713 HB VAL2713 6.192 12.746 3.185 705 HG11 VAL2713 HG11 VAL2713 5.693 11.310 5.785 706 HG12 VAL2713 HG12 VAL2713 5.070 12.886 5.297 707 HG13 VAL2713 HG13 VAL2713 6.796 12.673 5.589 708 HG21 VAL2713 HG21 VAL2713 7.310 10.090 4.079 709 HG22 VAL2713 HG22 VAL2713 8.218 11.598 3.970 710 HG23 VAL2713 HG23 VAL2713 7.557 10.859 2.511 711 H TRP2714 HN TRP2714 2.799 12.052 2.207 712 HA TRP2714 HA TRP2714 3.674 11.918 -0.565 713 HB2 TRP2714 HB2 TRP2714 1.364 11.209 0.220 714 HB3 TRP2714 HB1 TRP2714 1.022 12.911 0.469 715 HD1 TRP2714 HD1 TRP2714 2.605 11.025 -2.558 716 HE1 TRP2714 HE1 TRP2714 1.406 11.838 -4.686 717 HE3 TRP2714 HE3 TRP2714 -0.747 14.194 -0.409 718 HZ2 TRP2714 HZ2 TRP2714 -0.704 13.602 -5.358 719 HZ3 TRP2714 HZ3 TRP2714 -2.324 15.398 -1.847 720 HH2 TRP2714 HH2 TRP2714 -2.303 15.118 -4.264 721 H GLU2715 HN GLU2715 2.810 13.872 -1.900 722 HA GLU2715 HA GLU2715 3.161 16.404 -0.556 723 HB2 GLU2715 HB2 GLU2715 5.053 15.269 -2.527 724 HB3 GLU2715 HB1 GLU2715 4.589 16.943 -2.803 725 HG2 GLU2715 HG2 GLU2715 5.704 15.900 -0.209 726 HG3 GLU2715 HG1 GLU2715 6.668 16.658 -1.476 727 H LYS2716 HN LYS2716 1.725 17.894 -1.345 728 HA LYS2716 HA LYS2716 -0.093 17.017 -3.408 729 HB2 LYS2716 HB2 LYS2716 -0.045 19.158 -1.379 730 HB3 LYS2716 HB1 LYS2716 -0.897 19.553 -2.866 731 HG2 LYS2716 HG2 LYS2716 -1.448 17.044 -1.308 732 HG3 LYS2716 HG1 LYS2716 -2.278 18.567 -0.988 733 HD2 LYS2716 HD2 LYS2716 -2.205 17.376 -3.744 734 HD3 LYS2716 HD1 LYS2716 -3.403 16.843 -2.557 735 HE2 LYS2716 HE2 LYS2716 -2.984 19.724 -3.368 736 HE3 LYS2716 HE1 LYS2716 -4.174 18.659 -4.114 737 HZ1 LYS2716 HZ1 LYS2716 -4.077 19.426 -1.246 738 HZ2 LYS2716 HZ2 LYS2716 -5.201 18.367 -1.934 739 HZ3 LYS2716 HZ3 LYS2716 -5.185 19.995 -2.392 740 H LYS2717 HN LYS2717 -0.674 18.248 -5.263 741 HA LYS2717 HA LYS2717 1.609 19.714 -6.391 742 HB2 LYS2717 HB2 LYS2717 -0.328 17.775 -7.489 743 HB3 LYS2717 HB1 LYS2717 0.062 19.126 -8.543 744 HG2 LYS2717 HG2 LYS2717 2.102 17.317 -7.268 745 HG3 LYS2717 HG1 LYS2717 1.474 17.127 -8.906 746 HD2 LYS2717 HD2 LYS2717 2.779 18.764 -9.707 747 HD3 LYS2717 HD1 LYS2717 2.428 19.828 -8.345 748 HE2 LYS2717 HE2 LYS2717 4.385 17.533 -8.295 749 HE3 LYS2717 HE1 LYS2717 4.818 19.229 -8.508 750 HZ1 LYS2717 HZ1 LYS2717 5.110 18.584 -6.221 751 HZ2 LYS2717 HZ2 LYS2717 3.512 18.037 -6.121 752 HZ3 LYS2717 HZ3 LYS2717 3.830 19.686 -6.324 Start of MODEL 4 1 H1 GLU 20 HT1 GLU 20 16.256 1.127 -3.926 2 H2 GLU 20 HT2 GLU 20 15.907 -0.502 -4.222 3 H3 GLU 20 HT3 GLU 20 17.465 -0.043 -3.745 4 HA GLU 20 HA GLU 20 16.257 -1.051 -1.924 5 HB2 GLU 20 HB2 GLU 20 17.113 1.808 -1.835 6 HB3 GLU 20 HB1 GLU 20 16.347 1.119 -0.409 7 HG2 GLU 20 HG2 GLU 20 18.794 0.021 -1.775 8 HG3 GLU 20 HG1 GLU 20 18.790 1.001 -0.309 9 H TYR 21 HN TYR 21 14.883 2.219 -2.298 10 HA TYR 21 HA TYR 21 12.328 1.182 -1.320 11 HB2 TYR 21 HB2 TYR 21 13.411 3.984 -1.611 12 HB3 TYR 21 HB1 TYR 21 11.741 3.645 -1.174 13 HD1 TYR 21 HD2 TYR 21 15.229 3.532 -0.049 14 HD2 TYR 21 HD1 TYR 21 11.180 2.780 1.015 15 HE1 TYR 21 HE2 TYR 21 15.885 3.375 2.316 16 HE2 TYR 21 HE1 TYR 21 11.824 2.623 3.382 17 HH TYR 21 HH TYR 21 13.761 2.194 4.736 18 H ILE 22 HN ILE 22 10.550 1.044 -2.535 19 HA ILE 22 HA ILE 22 10.729 1.938 -5.331 20 HB ILE 22 HB ILE 22 8.832 0.381 -5.751 21 HG12 ILE 22 HG12 ILE 22 9.373 -0.667 -2.968 22 HG13 ILE 22 HG11 ILE 22 8.032 0.408 -3.350 23 HG21 ILE 22 HG21 ILE 22 10.162 -1.689 -5.566 24 HG22 ILE 22 HG22 ILE 22 11.310 -0.832 -4.539 25 HG23 ILE 22 HG23 ILE 22 11.087 -0.337 -6.217 26 HD11 ILE 22 HD11 ILE 22 7.101 -1.242 -4.850 27 HD12 ILE 22 HD12 ILE 22 7.358 -1.941 -3.251 28 HD13 ILE 22 HD13 ILE 22 8.477 -2.307 -4.564 29 H LYS 23 HN LYS 23 8.990 3.070 -6.286 30 HA LYS 23 HA LYS 23 7.476 4.660 -4.366 31 HB2 LYS 23 HB2 LYS 23 8.803 5.704 -6.249 32 HB3 LYS 23 HB1 LYS 23 7.614 5.033 -7.357 33 HG2 LYS 23 HG2 LYS 23 5.871 6.286 -5.979 34 HG3 LYS 23 HG1 LYS 23 7.236 7.154 -5.272 35 HD2 LYS 23 HD2 LYS 23 6.577 7.008 -8.215 36 HD3 LYS 23 HD1 LYS 23 6.249 8.379 -7.155 37 HE2 LYS 23 HE2 LYS 23 8.641 8.642 -6.746 38 HE3 LYS 23 HE1 LYS 23 8.979 7.255 -7.779 39 HZ1 LYS 23 HZ1 LYS 23 8.020 8.464 -9.646 40 HZ2 LYS 23 HZ2 LYS 23 9.310 9.323 -8.967 41 HZ3 LYS 23 HZ3 LYS 23 7.718 9.800 -8.651 42 H LEU 24 HN LEU 24 5.586 3.836 -3.765 43 HA LEU 24 HA LEU 24 3.898 2.543 -5.800 44 HB2 LEU 24 HB2 LEU 24 3.875 2.252 -2.794 45 HB3 LEU 24 HB1 LEU 24 2.718 1.500 -3.874 46 HG LEU 24 HG LEU 24 5.686 0.959 -3.938 47 HD11 LEU 24 HD11 LEU 24 4.714 0.201 -1.832 48 HD12 LEU 24 HD12 LEU 24 5.150 -1.162 -2.862 49 HD13 LEU 24 HD13 LEU 24 3.462 -0.670 -2.718 50 HD21 LEU 24 HD21 LEU 24 4.674 0.530 -6.064 51 HD22 LEU 24 HD22 LEU 24 3.328 -0.321 -5.309 52 HD23 LEU 24 HD23 LEU 24 4.947 -1.019 -5.266 53 H LYS 25 HN LYS 25 2.330 3.802 -6.540 54 HA LYS 25 HA LYS 25 1.458 6.102 -5.006 55 HB2 LYS 25 HB2 LYS 25 0.953 5.145 -7.806 56 HB3 LYS 25 HB1 LYS 25 -0.007 6.441 -7.107 57 HG2 LYS 25 HG2 LYS 25 2.090 7.692 -6.680 58 HG3 LYS 25 HG1 LYS 25 2.973 6.420 -7.528 59 HD2 LYS 25 HD2 LYS 25 1.824 6.884 -9.568 60 HD3 LYS 25 HD1 LYS 25 0.702 7.977 -8.754 61 HE2 LYS 25 HE2 LYS 25 2.516 9.518 -8.277 62 HE3 LYS 25 HE1 LYS 25 3.676 8.409 -9.008 63 HZ1 LYS 25 HZ1 LYS 25 2.560 8.686 -11.128 64 HZ2 LYS 25 HZ2 LYS 25 3.060 10.187 -10.527 65 HZ3 LYS 25 HZ3 LYS 25 1.432 9.738 -10.431 66 H VAL 26 HN VAL 26 0.088 5.647 -3.412 67 HA VAL 26 HA VAL 26 -2.113 3.776 -3.899 68 HB VAL 26 HB VAL 26 -1.360 5.072 -1.273 69 HG11 VAL 26 HG11 VAL 26 -3.636 4.220 -1.371 70 HG12 VAL 26 HG12 VAL 26 -2.647 3.225 -0.303 71 HG13 VAL 26 HG13 VAL 26 -3.042 2.655 -1.925 72 HG21 VAL 26 HG21 VAL 26 0.533 3.783 -2.053 73 HG22 VAL 26 HG22 VAL 26 -0.511 2.403 -2.392 74 HG23 VAL 26 HG23 VAL 26 -0.259 2.930 -0.729 75 H ILE 27 HN ILE 27 -3.613 4.875 -5.017 76 HA ILE 27 HA ILE 27 -4.458 7.519 -4.084 77 HB ILE 27 HB ILE 27 -4.927 6.059 -6.677 78 HG12 ILE 27 HG12 ILE 27 -3.484 8.622 -5.967 79 HG13 ILE 27 HG11 ILE 27 -2.723 7.099 -6.414 80 HG21 ILE 27 HG21 ILE 27 -6.003 8.734 -5.799 81 HG22 ILE 27 HG22 ILE 27 -6.950 7.264 -6.028 82 HG23 ILE 27 HG23 ILE 27 -6.164 8.030 -7.408 83 HD11 ILE 27 HD11 ILE 27 -2.700 8.668 -8.261 84 HD12 ILE 27 HD12 ILE 27 -4.457 8.804 -8.188 85 HD13 ILE 27 HD13 ILE 27 -3.709 7.272 -8.644 86 H GLY 28 HN GLY 28 -6.181 7.646 -2.843 87 HA2 GLY 28 HA2 GLY 28 -7.955 5.405 -2.494 88 HA3 GLY 28 HA1 GLY 28 -8.049 6.952 -1.668 89 H GLN 29 HN GLN 29 -10.398 6.625 -2.022 90 HA GLN 29 HA GLN 29 -11.157 7.418 -4.754 91 HB2 GLN 29 HB2 GLN 29 -11.948 5.155 -3.565 92 HB3 GLN 29 HB1 GLN 29 -13.198 6.233 -2.951 93 HG2 GLN 29 HG2 GLN 29 -13.767 5.029 -5.064 94 HG3 GLN 29 HG1 GLN 29 -13.918 6.787 -5.135 95 HE21 GLN 29 HE21 GLN 29 -12.971 7.787 -6.767 96 HE22 GLN 29 HE22 GLN 29 -11.735 7.131 -7.779 97 H ASP 30 HN ASP 30 -10.355 9.372 -3.054 98 HA ASP 30 HA ASP 30 -12.616 11.098 -3.016 99 HB2 ASP 30 HB2 ASP 30 -12.422 11.589 -0.517 100 HB3 ASP 30 HB1 ASP 30 -13.218 10.082 -0.955 101 H SER 31 HN SER 31 -9.903 10.847 -4.034 102 HA SER 31 HA SER 31 -8.234 12.226 -4.654 103 HB2 SER 31 HB2 SER 31 -9.881 14.041 -4.581 104 HB3 SER 31 HB1 SER 31 -9.548 14.276 -2.865 105 HG SER 31 HG SER 31 -7.233 14.461 -3.797 106 H SER 32 HN SER 32 -8.382 10.713 -1.945 107 HA SER 32 HA SER 32 -6.297 12.020 -0.410 108 HB2 SER 32 HB2 SER 32 -8.014 10.853 0.840 109 HB3 SER 32 HB1 SER 32 -7.750 9.379 -0.090 110 HG SER 32 HG SER 32 -5.431 10.128 0.974 111 H GLU 33 HN GLU 33 -4.359 11.973 -1.609 112 HA GLU 33 HA GLU 33 -3.545 9.268 -2.482 113 HB2 GLU 33 HB2 GLU 33 -3.707 10.998 -4.277 114 HB3 GLU 33 HB1 GLU 33 -2.436 11.901 -3.462 115 HG2 GLU 33 HG2 GLU 33 -0.886 10.062 -3.787 116 HG3 GLU 33 HG1 GLU 33 -2.156 9.105 -4.547 117 H ILE 34 HN ILE 34 -1.477 8.502 -1.980 118 HA ILE 34 HA ILE 34 0.220 10.117 -0.248 119 HB ILE 34 HB ILE 34 -0.729 7.377 0.623 120 HG12 ILE 34 HG12 ILE 34 -1.334 10.072 1.863 121 HG13 ILE 34 HG11 ILE 34 -2.469 9.133 0.901 122 HG21 ILE 34 HG21 ILE 34 1.575 7.851 1.257 123 HG22 ILE 34 HG22 ILE 34 0.526 7.841 2.676 124 HG23 ILE 34 HG23 ILE 34 1.073 9.373 1.994 125 HD11 ILE 34 HD11 ILE 34 -1.259 8.278 3.521 126 HD12 ILE 34 HD12 ILE 34 -2.423 7.359 2.565 127 HD13 ILE 34 HD13 ILE 34 -2.892 8.899 3.284 128 H HIS 35 HN HIS 35 2.369 9.777 -0.701 129 HA HIS 35 HA HIS 35 3.005 7.649 -2.580 130 HB2 HIS 35 HB2 HIS 35 4.332 10.117 -1.636 131 HB3 HIS 35 HB1 HIS 35 5.405 8.790 -2.059 132 HD1 HIS 35 HD1 HIS 35 4.565 11.659 -3.616 133 HD2 HIS 35 HD2 HIS 35 3.930 7.705 -4.722 134 HE1 HIS 35 HE1 HIS 35 4.303 11.658 -6.131 135 H PHE 36 HN PHE 36 3.639 5.722 -1.986 136 HA PHE 36 HA PHE 36 4.656 5.313 0.738 137 HB2 PHE 36 HB2 PHE 36 3.014 3.695 -1.134 138 HB3 PHE 36 HB1 PHE 36 4.107 2.822 -0.068 139 HD1 PHE 36 HD2 PHE 36 1.465 5.447 0.009 140 HD2 PHE 36 HD1 PHE 36 3.406 2.255 2.047 141 HE1 PHE 36 HE2 PHE 36 -0.186 5.605 1.823 142 HE2 PHE 36 HE1 PHE 36 1.757 2.408 3.864 143 HZ PHE 36 HZ PHE 36 -0.039 4.088 3.756 144 H LYS 37 HN LYS 37 6.769 4.999 0.952 145 HA LYS 37 HA LYS 37 8.244 3.745 -1.265 146 HB2 LYS 37 HB2 LYS 37 9.206 5.545 0.969 147 HB3 LYS 37 HB1 LYS 37 10.282 4.712 -0.145 148 HG2 LYS 37 HG2 LYS 37 9.278 5.908 -2.018 149 HG3 LYS 37 HG1 LYS 37 8.195 6.743 -0.903 150 HD2 LYS 37 HD2 LYS 37 10.134 7.735 0.223 151 HD3 LYS 37 HD1 LYS 37 11.209 6.906 -0.906 152 HE2 LYS 37 HE2 LYS 37 10.208 8.123 -2.767 153 HE3 LYS 37 HE1 LYS 37 9.103 8.932 -1.656 154 HZ1 LYS 37 HZ1 LYS 37 12.064 9.176 -1.637 155 HZ2 LYS 37 HZ2 LYS 37 11.008 9.950 -0.567 156 HZ3 LYS 37 HZ3 LYS 37 10.979 10.341 -2.212 157 H VAL 38 HN VAL 38 8.400 1.638 -0.938 158 HA VAL 38 HA VAL 38 8.878 0.657 1.800 159 HB VAL 38 HB VAL 38 7.459 -0.768 -0.462 160 HG11 VAL 38 HG11 VAL 38 8.553 -2.367 0.951 161 HG12 VAL 38 HG12 VAL 38 6.822 -2.399 1.290 162 HG13 VAL 38 HG13 VAL 38 7.923 -1.583 2.400 163 HG21 VAL 38 HG21 VAL 38 6.138 1.082 0.423 164 HG22 VAL 38 HG22 VAL 38 6.332 0.449 2.056 165 HG23 VAL 38 HG23 VAL 38 5.428 -0.472 0.854 166 H LYS 39 HN LYS 39 10.572 -0.694 2.164 167 HA LYS 39 HA LYS 39 12.593 -0.976 0.186 168 HB2 LYS 39 HB2 LYS 39 12.196 -1.910 2.984 169 HB3 LYS 39 HB1 LYS 39 13.389 -2.759 2.012 170 HG2 LYS 39 HG2 LYS 39 14.525 -0.622 1.576 171 HG3 LYS 39 HG1 LYS 39 13.348 0.192 2.610 172 HD2 LYS 39 HD2 LYS 39 14.077 -1.062 4.524 173 HD3 LYS 39 HD1 LYS 39 15.130 -2.062 3.523 174 HE2 LYS 39 HE2 LYS 39 16.458 -0.073 2.961 175 HE3 LYS 39 HE1 LYS 39 15.418 0.902 3.999 176 HZ1 LYS 39 HZ1 LYS 39 16.128 -0.387 5.896 177 HZ2 LYS 39 HZ2 LYS 39 17.482 0.241 5.102 178 HZ3 LYS 39 HZ3 LYS 39 17.073 -1.388 4.914 179 H MET 40 HN MET 40 13.517 -3.090 -0.499 180 HA MET 40 HA MET 40 11.417 -4.746 -1.574 181 HB2 MET 40 HB2 MET 40 14.420 -4.829 -1.859 182 HB3 MET 40 HB1 MET 40 13.336 -5.950 -2.670 183 HG2 MET 40 HG2 MET 40 12.285 -4.118 -3.857 184 HG3 MET 40 HG1 MET 40 13.298 -2.958 -3.002 185 HE1 MET 40 HE1 MET 40 16.825 -3.598 -4.467 186 HE2 MET 40 HE2 MET 40 16.187 -4.353 -3.006 187 HE3 MET 40 HE3 MET 40 15.834 -2.660 -3.350 188 H THR 41 HN THR 41 13.046 -4.744 1.313 189 HA THR 41 HA THR 41 13.098 -7.654 1.609 190 HB THR 41 HB THR 41 13.900 -5.649 3.712 191 HG1 THR 41 HG1 THR 41 16.006 -6.673 2.372 192 HG21 THR 41 HG21 THR 41 13.676 -7.951 4.467 193 HG22 THR 41 HG22 THR 41 15.377 -7.486 4.442 194 HG23 THR 41 HG23 THR 41 14.723 -8.503 3.159 195 H THR 42 HN THR 42 11.425 -4.795 2.771 196 HA THR 42 HA THR 42 9.967 -6.113 4.844 197 HB THR 42 HB THR 42 8.469 -3.989 4.570 198 HG1 THR 42 HG1 THR 42 9.443 -3.494 2.474 199 HG21 THR 42 HG21 THR 42 11.363 -3.738 5.393 200 HG22 THR 42 HG22 THR 42 10.061 -4.359 6.407 201 HG23 THR 42 HG23 THR 42 10.046 -2.674 5.885 202 H HIS 43 HN HIS 43 7.831 -6.773 4.881 203 HA HIS 43 HA HIS 43 6.787 -7.745 2.384 204 HB2 HIS 43 HB2 HIS 43 5.689 -7.881 5.201 205 HB3 HIS 43 HB1 HIS 43 4.955 -8.672 3.810 206 HD1 HIS 43 HD1 HIS 43 7.537 -9.142 6.382 207 HD2 HIS 43 HD2 HIS 43 6.582 -10.758 2.677 208 HE1 HIS 43 HE1 HIS 43 8.811 -11.319 6.209 209 H LEU 44 HN LEU 44 4.425 -7.452 1.873 210 HA LEU 44 HA LEU 44 3.875 -4.635 1.705 211 HB2 LEU 44 HB2 LEU 44 2.340 -7.040 0.734 212 HB3 LEU 44 HB1 LEU 44 1.846 -5.383 0.445 213 HG LEU 44 HG LEU 44 4.305 -6.763 -0.611 214 HD11 LEU 44 HD11 LEU 44 3.320 -6.629 -2.698 215 HD12 LEU 44 HD12 LEU 44 2.205 -5.356 -2.202 216 HD13 LEU 44 HD13 LEU 44 1.952 -7.011 -1.652 217 HD21 LEU 44 HD21 LEU 44 5.009 -4.561 -0.035 218 HD22 LEU 44 HD22 LEU 44 3.537 -3.853 -0.699 219 HD23 LEU 44 HD23 LEU 44 4.726 -4.585 -1.776 220 H LYS 45 HN LYS 45 3.262 -6.945 4.025 221 HA LYS 45 HA LYS 45 0.642 -6.175 4.823 222 HB2 LYS 45 HB2 LYS 45 1.754 -8.337 5.460 223 HB3 LYS 45 HB1 LYS 45 2.791 -7.420 6.547 224 HG2 LYS 45 HG2 LYS 45 0.853 -6.688 7.813 225 HG3 LYS 45 HG1 LYS 45 -0.213 -7.553 6.705 226 HD2 LYS 45 HD2 LYS 45 0.849 -9.668 7.351 227 HD3 LYS 45 HD1 LYS 45 1.894 -8.791 8.473 228 HE2 LYS 45 HE2 LYS 45 -0.029 -8.067 9.751 229 HE3 LYS 45 HE1 LYS 45 -1.119 -8.828 8.592 230 HZ1 LYS 45 HZ1 LYS 45 -0.797 -10.182 10.576 231 HZ2 LYS 45 HZ2 LYS 45 0.865 -10.266 10.269 232 HZ3 LYS 45 HZ3 LYS 45 -0.231 -10.974 9.193 233 H LYS 46 HN LYS 46 3.893 -5.080 5.574 234 HA LYS 46 HA LYS 46 3.181 -3.397 7.752 235 HB2 LYS 46 HB2 LYS 46 5.578 -3.469 5.923 236 HB3 LYS 46 HB1 LYS 46 5.420 -2.304 7.230 237 HG2 LYS 46 HG2 LYS 46 5.332 -5.287 7.616 238 HG3 LYS 46 HG1 LYS 46 6.788 -4.306 7.785 239 HD2 LYS 46 HD2 LYS 46 5.746 -3.029 9.574 240 HD3 LYS 46 HD1 LYS 46 4.249 -3.941 9.376 241 HE2 LYS 46 HE2 LYS 46 5.414 -5.995 10.003 242 HE3 LYS 46 HE1 LYS 46 6.916 -5.091 10.190 243 HZ1 LYS 46 HZ1 LYS 46 5.824 -5.473 12.316 244 HZ2 LYS 46 HZ2 LYS 46 4.441 -4.661 11.776 245 HZ3 LYS 46 HZ3 LYS 46 5.897 -3.819 11.965 246 H LEU 47 HN LEU 47 3.314 -3.023 4.290 247 HA LEU 47 HA LEU 47 2.983 -0.200 4.206 248 HB2 LEU 47 HB2 LEU 47 3.762 -0.983 2.195 249 HB3 LEU 47 HB1 LEU 47 2.839 -2.468 2.292 250 HG LEU 47 HG LEU 47 1.151 -0.110 1.916 251 HD11 LEU 47 HD11 LEU 47 1.776 0.252 -0.420 252 HD12 LEU 47 HD12 LEU 47 3.145 -0.841 -0.223 253 HD13 LEU 47 HD13 LEU 47 3.093 0.676 0.672 254 HD21 LEU 47 HD21 LEU 47 0.175 -1.531 0.189 255 HD22 LEU 47 HD22 LEU 47 0.370 -2.420 1.699 256 HD23 LEU 47 HD23 LEU 47 1.501 -2.680 0.370 257 H LYS 48 HN LYS 48 0.849 -2.967 4.275 258 HA LYS 48 HA LYS 48 -1.592 -1.606 3.807 259 HB2 LYS 48 HB2 LYS 48 -1.082 -4.105 3.601 260 HB3 LYS 48 HB1 LYS 48 -1.257 -4.174 5.347 261 HG2 LYS 48 HG2 LYS 48 -3.557 -3.373 5.151 262 HG3 LYS 48 HG1 LYS 48 -3.378 -3.306 3.395 263 HD2 LYS 48 HD2 LYS 48 -2.942 -5.719 3.355 264 HD3 LYS 48 HD1 LYS 48 -3.137 -5.780 5.107 265 HE2 LYS 48 HE2 LYS 48 -5.454 -4.943 4.827 266 HE3 LYS 48 HE1 LYS 48 -5.238 -5.029 3.079 267 HZ1 LYS 48 HZ1 LYS 48 -5.077 -7.320 4.962 268 HZ2 LYS 48 HZ2 LYS 48 -4.850 -7.410 3.288 269 HZ3 LYS 48 HZ3 LYS 48 -6.364 -6.988 3.914 270 H GLU 49 HN GLU 49 0.213 -2.478 6.713 271 HA GLU 49 HA GLU 49 -1.766 -1.690 8.589 272 HB2 GLU 49 HB2 GLU 49 1.228 -1.996 8.877 273 HB3 GLU 49 HB1 GLU 49 0.131 -1.715 10.221 274 HG2 GLU 49 HG2 GLU 49 -0.933 -3.823 9.883 275 HG3 GLU 49 HG1 GLU 49 -0.056 -4.084 8.377 276 H SER 50 HN SER 50 0.964 -0.036 7.094 277 HA SER 50 HA SER 50 0.833 2.300 8.693 278 HB2 SER 50 HB2 SER 50 2.816 1.542 7.338 279 HB3 SER 50 HB1 SER 50 1.956 2.083 5.897 280 HG SER 50 HG SER 50 2.239 4.123 6.467 281 H TYR 51 HN TYR 51 -0.678 1.378 5.638 282 HA TYR 51 HA TYR 51 -1.707 3.966 5.054 283 HB2 TYR 51 HB2 TYR 51 -1.390 2.162 3.354 284 HB3 TYR 51 HB1 TYR 51 -2.745 1.299 4.075 285 HD1 TYR 51 HD1 TYR 51 -1.999 4.746 2.813 286 HD2 TYR 51 HD2 TYR 51 -4.776 1.527 3.010 287 HE1 TYR 51 HE1 TYR 51 -3.552 6.005 1.384 288 HE2 TYR 51 HE2 TYR 51 -6.336 2.779 1.579 289 HH TYR 51 HH TYR 51 -5.419 5.600 -0.111 290 H CYS 52 HN CYS 52 -2.946 1.170 6.792 291 HA CYS 52 HA CYS 52 -5.609 2.109 7.051 292 HB2 CYS 52 HB2 CYS 52 -4.021 0.008 8.502 293 HB3 CYS 52 HB1 CYS 52 -5.692 0.370 8.919 294 HG CYS 52 HG CYS 52 -6.808 -0.492 6.605 295 H GLN 53 HN GLN 53 -2.731 2.484 9.081 296 HA GLN 53 HA GLN 53 -4.217 3.646 11.248 297 HB2 GLN 53 HB2 GLN 53 -2.015 4.124 12.249 298 HB3 GLN 53 HB1 GLN 53 -2.189 2.444 11.769 299 HG2 GLN 53 HG2 GLN 53 -0.135 2.763 10.929 300 HG3 GLN 53 HG1 GLN 53 -1.026 3.426 9.561 301 HE21 GLN 53 HE21 GLN 53 0.667 4.752 8.955 302 HE22 GLN 53 HE22 GLN 53 1.106 6.164 9.851 303 H ARG 54 HN ARG 54 -2.583 4.859 8.424 304 HA ARG 54 HA ARG 54 -2.645 7.605 9.373 305 HB2 ARG 54 HB2 ARG 54 -0.779 6.619 7.962 306 HB3 ARG 54 HB1 ARG 54 -1.906 6.622 6.614 307 HG2 ARG 54 HG2 ARG 54 -0.510 8.555 6.458 308 HG3 ARG 54 HG1 ARG 54 -2.141 9.076 6.881 309 HD2 ARG 54 HD2 ARG 54 -0.529 10.300 8.199 310 HD3 ARG 54 HD1 ARG 54 -1.451 9.221 9.244 311 HE ARG 54 HE ARG 54 1.068 8.168 8.281 312 HH11 ARG 54 HH11 ARG 54 -0.603 9.856 10.836 313 HH12 ARG 54 HH12 ARG 54 0.598 9.497 12.031 314 HH21 ARG 54 HH21 ARG 54 2.658 7.704 9.847 315 HH22 ARG 54 HH22 ARG 54 2.451 8.274 11.469 316 H GLN 55 HN GLN 55 -4.874 5.539 8.063 317 HA GLN 55 HA GLN 55 -6.338 7.764 6.799 318 HB2 GLN 55 HB2 GLN 55 -5.475 5.657 5.432 319 HB3 GLN 55 HB1 GLN 55 -6.955 4.947 6.058 320 HG2 GLN 55 HG2 GLN 55 -7.449 5.815 3.919 321 HG3 GLN 55 HG1 GLN 55 -8.191 6.899 5.096 322 HE21 GLN 55 HE21 GLN 55 -7.416 8.974 5.322 323 HE22 GLN 55 HE22 GLN 55 -6.310 9.687 4.203 324 H GLY 56 HN GLY 56 -6.384 5.499 9.350 325 HA2 GLY 56 HA2 GLY 56 -7.994 5.019 10.920 326 HA3 GLY 56 HA1 GLY 56 -8.899 6.381 10.289 327 H VAL 57 HN VAL 57 -8.013 3.121 9.127 328 HA VAL 57 HA VAL 57 -10.840 2.464 8.805 329 HB VAL 57 HB VAL 57 -8.867 2.449 6.508 330 HG11 VAL 57 HG11 VAL 57 -10.792 1.584 5.196 331 HG12 VAL 57 HG12 VAL 57 -11.669 1.364 6.709 332 HG13 VAL 57 HG13 VAL 57 -10.188 0.455 6.406 333 HG21 VAL 57 HG21 VAL 57 -10.460 3.977 5.455 334 HG22 VAL 57 HG22 VAL 57 -9.849 4.637 6.972 335 HG23 VAL 57 HG23 VAL 57 -11.464 3.932 6.904 336 HA PRO 58 HA PRO 58 -9.143 -1.295 10.511 337 HB2 PRO 58 HB2 PRO 58 -11.165 -2.971 9.811 338 HB3 PRO 58 HB1 PRO 58 -11.244 -1.849 11.179 339 HG2 PRO 58 HG2 PRO 58 -12.174 -1.410 8.382 340 HG3 PRO 58 HG1 PRO 58 -13.138 -1.229 9.845 341 HD2 PRO 58 HD2 PRO 58 -12.066 0.933 8.812 342 HD3 PRO 58 HD1 PRO 58 -11.828 0.641 10.550 343 H MET 59 HN MET 59 -7.840 -2.829 9.856 344 HA MET 59 HA MET 59 -6.601 -2.970 7.490 345 HB2 MET 59 HB2 MET 59 -6.039 -4.183 9.614 346 HB3 MET 59 HB1 MET 59 -7.191 -5.418 9.143 347 HG2 MET 59 HG2 MET 59 -5.078 -6.249 8.558 348 HG3 MET 59 HG1 MET 59 -5.819 -5.726 7.045 349 HE1 MET 59 HE1 MET 59 -4.421 -3.093 9.667 350 HE2 MET 59 HE2 MET 59 -2.697 -3.200 9.331 351 HE3 MET 59 HE3 MET 59 -3.548 -4.587 10.003 352 H ASN 60 HN ASN 60 -9.643 -4.565 8.192 353 HA ASN 60 HA ASN 60 -9.633 -6.135 5.783 354 HB2 ASN 60 HB2 ASN 60 -11.883 -6.823 6.480 355 HB3 ASN 60 HB1 ASN 60 -10.723 -6.983 7.795 356 HD21 ASN 60 HD21 ASN 60 -13.736 -5.910 6.976 357 HD22 ASN 60 HD22 ASN 60 -14.025 -4.835 8.297 358 H SER 61 HN SER 61 -11.701 -3.530 6.988 359 HA SER 61 HA SER 61 -13.522 -2.977 5.286 360 HB2 SER 61 HB2 SER 61 -12.831 -1.439 6.988 361 HB3 SER 61 HB1 SER 61 -11.489 -0.861 6.018 362 HG SER 61 HG SER 61 -14.205 -0.323 5.916 363 H LEU 62 HN LEU 62 -10.150 -2.451 4.249 364 HA LEU 62 HA LEU 62 -11.184 -1.696 1.617 365 HB2 LEU 62 HB2 LEU 62 -8.303 -1.682 2.416 366 HB3 LEU 62 HB1 LEU 62 -9.081 -0.791 1.129 367 HG LEU 62 HG LEU 62 -9.337 -0.244 4.087 368 HD11 LEU 62 HD11 LEU 62 -8.139 1.442 1.904 369 HD12 LEU 62 HD12 LEU 62 -7.193 0.314 2.875 370 HD13 LEU 62 HD13 LEU 62 -8.016 1.669 3.647 371 HD21 LEU 62 HD21 LEU 62 -10.515 1.834 3.216 372 HD22 LEU 62 HD22 LEU 62 -11.429 0.328 3.137 373 HD23 LEU 62 HD23 LEU 62 -10.676 0.979 1.682 374 H ARG 63 HN ARG 63 -8.945 -2.289 0.113 375 HA ARG 63 HA ARG 63 -8.113 -5.001 0.157 376 HB2 ARG 63 HB2 ARG 63 -10.395 -5.487 -0.579 377 HB3 ARG 63 HB1 ARG 63 -10.304 -4.223 -1.799 378 HG2 ARG 63 HG2 ARG 63 -8.414 -5.549 -2.835 379 HG3 ARG 63 HG1 ARG 63 -8.870 -6.862 -1.750 380 HD2 ARG 63 HD2 ARG 63 -10.857 -5.544 -3.580 381 HD3 ARG 63 HD1 ARG 63 -9.839 -6.872 -4.121 382 HE ARG 63 HE ARG 63 -11.132 -7.649 -1.764 383 HH11 ARG 63 HH11 ARG 63 -11.882 -6.890 -5.081 384 HH12 ARG 63 HH12 ARG 63 -13.265 -7.931 -5.145 385 HH21 ARG 63 HH21 ARG 63 -12.943 -9.045 -1.843 386 HH22 ARG 63 HH22 ARG 63 -13.869 -9.157 -3.303 387 H PHE 64 HN PHE 64 -6.265 -5.047 -1.098 388 HA PHE 64 HA PHE 64 -5.790 -2.697 -2.815 389 HB2 PHE 64 HB2 PHE 64 -3.711 -4.392 -1.422 390 HB3 PHE 64 HB1 PHE 64 -3.436 -2.890 -2.295 391 HD1 PHE 64 HD1 PHE 64 -5.470 -4.190 0.559 392 HD2 PHE 64 HD2 PHE 64 -3.225 -0.956 -1.074 393 HE1 PHE 64 HE1 PHE 64 -5.828 -2.908 2.641 394 HE2 PHE 64 HE2 PHE 64 -3.577 0.339 1.001 395 HZ PHE 64 HZ PHE 64 -4.882 -0.639 2.863 396 H LEU 65 HN LEU 65 -4.922 -2.956 -4.855 397 HA LEU 65 HA LEU 65 -4.559 -5.729 -5.765 398 HB2 LEU 65 HB2 LEU 65 -5.865 -3.601 -7.420 399 HB3 LEU 65 HB1 LEU 65 -5.745 -5.307 -7.772 400 HG LEU 65 HG LEU 65 -7.470 -4.061 -5.628 401 HD11 LEU 65 HD11 LEU 65 -9.297 -4.588 -7.080 402 HD12 LEU 65 HD12 LEU 65 -8.232 -5.434 -8.203 403 HD13 LEU 65 HD13 LEU 65 -8.111 -3.684 -8.022 404 HD21 LEU 65 HD21 LEU 65 -6.704 -6.274 -4.958 405 HD22 LEU 65 HD22 LEU 65 -7.167 -6.931 -6.529 406 HD23 LEU 65 HD23 LEU 65 -8.404 -6.336 -5.421 407 H PHE 66 HN PHE 66 -3.397 -6.011 -7.746 408 HA PHE 66 HA PHE 66 -1.772 -3.825 -8.755 409 HB2 PHE 66 HB2 PHE 66 -0.416 -4.676 -6.882 410 HB3 PHE 66 HB1 PHE 66 -0.536 -6.309 -7.527 411 HD1 PHE 66 HD1 PHE 66 0.332 -2.953 -8.917 412 HD2 PHE 66 HD2 PHE 66 1.417 -7.046 -8.462 413 HE1 PHE 66 HE1 PHE 66 2.346 -2.565 -10.298 414 HE2 PHE 66 HE2 PHE 66 3.436 -6.677 -9.843 415 HZ PHE 66 HZ PHE 66 3.900 -4.429 -10.764 416 H GLU 67 HN GLU 67 -1.099 -4.235 -10.881 417 HA GLU 67 HA GLU 67 -1.414 -5.091 -12.991 418 HB2 GLU 67 HB2 GLU 67 -0.707 -7.562 -11.401 419 HB3 GLU 67 HB1 GLU 67 -0.905 -7.589 -13.143 420 HG2 GLU 67 HG2 GLU 67 0.931 -5.973 -13.362 421 HG3 GLU 67 HG1 GLU 67 1.139 -5.994 -11.611 422 H GLY 68 HN GLY 68 -3.739 -4.829 -11.233 423 HA2 GLY 68 HA2 GLY 68 -6.003 -5.191 -11.680 424 HA3 GLY 68 HA1 GLY 68 -5.553 -6.491 -12.774 425 H GLN 69 HN GLN 69 -4.016 -8.100 -11.099 426 HA GLN 69 HA GLN 69 -6.122 -9.343 -9.613 427 HB2 GLN 69 HB2 GLN 69 -3.252 -10.109 -10.062 428 HB3 GLN 69 HB1 GLN 69 -4.350 -11.058 -9.069 429 HG2 GLN 69 HG2 GLN 69 -5.884 -11.096 -11.111 430 HG3 GLN 69 HG1 GLN 69 -4.486 -10.523 -12.017 431 HE21 GLN 69 HE21 GLN 69 -6.179 -13.182 -11.286 432 HE22 GLN 69 HE22 GLN 69 -4.946 -14.386 -11.413 433 H ARG 70 HN ARG 70 -6.205 -9.915 -7.484 434 HA ARG 70 HA ARG 70 -5.748 -7.952 -5.623 435 HB2 ARG 70 HB2 ARG 70 -7.340 -9.868 -5.474 436 HB3 ARG 70 HB1 ARG 70 -5.984 -10.890 -5.027 437 HG2 ARG 70 HG2 ARG 70 -5.724 -9.861 -2.973 438 HG3 ARG 70 HG1 ARG 70 -6.630 -8.427 -3.471 439 HD2 ARG 70 HD2 ARG 70 -8.632 -9.948 -3.723 440 HD3 ARG 70 HD1 ARG 70 -7.684 -11.178 -2.886 441 HE ARG 70 HE ARG 70 -7.543 -8.994 -1.265 442 HH11 ARG 70 HH11 ARG 70 -10.143 -10.848 -2.647 443 HH12 ARG 70 HH12 ARG 70 -11.233 -10.542 -1.335 444 HH21 ARG 70 HH21 ARG 70 -8.967 -8.571 0.465 445 HH22 ARG 70 HH22 ARG 70 -10.564 -9.241 0.436 446 H ILE 71 HN ILE 71 -4.557 -8.203 -3.525 447 HA ILE 71 HA ILE 71 -1.809 -9.112 -4.057 448 HB ILE 71 HB ILE 71 -2.773 -6.705 -2.522 449 HG12 ILE 71 HG12 ILE 71 -0.830 -7.086 -4.814 450 HG13 ILE 71 HG11 ILE 71 -2.465 -6.449 -4.944 451 HG21 ILE 71 HG21 ILE 71 -1.097 -7.831 -1.161 452 HG22 ILE 71 HG22 ILE 71 -0.440 -6.345 -1.845 453 HG23 ILE 71 HG23 ILE 71 -0.003 -7.904 -2.542 454 HD11 ILE 71 HD11 ILE 71 -1.013 -4.599 -5.030 455 HD12 ILE 71 HD12 ILE 71 -0.079 -5.170 -3.649 456 HD13 ILE 71 HD13 ILE 71 -1.725 -4.582 -3.417 457 H ALA 72 HN ALA 72 -1.032 -10.595 -2.794 458 HA ALA 72 HA ALA 72 -2.431 -11.805 -0.678 459 HB1 ALA 72 HB1 ALA 72 -0.799 -13.023 -2.081 460 HB2 ALA 72 HB2 ALA 72 -0.424 -13.168 -0.364 461 HB3 ALA 72 HB3 ALA 72 0.505 -12.064 -1.377 462 H ASP 73 HN ASP 73 -1.890 -11.872 1.541 463 HA ASP 73 HA ASP 73 -1.169 -9.335 2.620 464 HB2 ASP 73 HB2 ASP 73 -2.835 -11.125 3.501 465 HB3 ASP 73 HB1 ASP 73 -1.408 -11.849 4.238 466 H ASN 74 HN ASN 74 0.551 -12.227 1.902 467 HA ASN 74 HA ASN 74 2.855 -11.410 3.536 468 HB2 ASN 74 HB2 ASN 74 2.137 -14.022 2.204 469 HB3 ASN 74 HB1 ASN 74 3.716 -13.715 2.920 470 HD21 ASN 74 HD21 ASN 74 1.967 -11.957 4.850 471 HD22 ASN 74 HD22 ASN 74 1.478 -13.110 6.036 472 H HIS 75 HN HIS 75 1.673 -10.955 0.541 473 HA HIS 75 HA HIS 75 3.666 -11.516 -1.285 474 HB2 HIS 75 HB2 HIS 75 1.281 -10.008 -1.229 475 HB3 HIS 75 HB1 HIS 75 2.529 -8.925 -1.833 476 HD1 HIS 75 HD1 HIS 75 4.140 -10.488 -3.689 477 HD2 HIS 75 HD2 HIS 75 0.078 -11.184 -3.356 478 HE1 HIS 75 HE1 HIS 75 3.452 -11.595 -5.847 479 H THR 76 HN THR 76 5.015 -9.839 -2.430 480 HA THR 76 HA THR 76 6.030 -7.508 -1.223 481 HB THR 76 HB THR 76 7.736 -10.010 -0.847 482 HG1 THR 76 HG1 THR 76 7.704 -9.174 1.385 483 HG21 THR 76 HG21 THR 76 8.986 -7.987 -1.677 484 HG22 THR 76 HG22 THR 76 9.512 -8.583 -0.105 485 HG23 THR 76 HG23 THR 76 8.482 -7.156 -0.205 486 HA PRO 77 HA PRO 77 7.239 -7.144 -5.477 487 HB2 PRO 77 HB2 PRO 77 9.754 -6.039 -4.237 488 HB3 PRO 77 HB1 PRO 77 8.867 -5.463 -5.662 489 HG2 PRO 77 HG2 PRO 77 8.441 -4.205 -3.423 490 HG3 PRO 77 HG1 PRO 77 7.018 -4.756 -4.337 491 HD2 PRO 77 HD2 PRO 77 8.318 -6.035 -1.928 492 HD3 PRO 77 HD1 PRO 77 6.591 -5.750 -2.236 493 H LYS 78 HN LYS 78 8.916 -8.872 -3.104 494 HA LYS 78 HA LYS 78 11.021 -10.076 -4.531 495 HB2 LYS 78 HB2 LYS 78 10.795 -10.210 -2.078 496 HB3 LYS 78 HB1 LYS 78 9.300 -11.112 -2.252 497 HG2 LYS 78 HG2 LYS 78 10.582 -12.953 -3.298 498 HG3 LYS 78 HG1 LYS 78 12.067 -12.049 -2.984 499 HD2 LYS 78 HD2 LYS 78 11.646 -12.111 -0.599 500 HD3 LYS 78 HD1 LYS 78 10.090 -12.899 -0.864 501 HE2 LYS 78 HE2 LYS 78 11.283 -14.819 -1.873 502 HE3 LYS 78 HE1 LYS 78 12.815 -14.035 -1.487 503 HZ1 LYS 78 HZ1 LYS 78 10.759 -14.878 0.488 504 HZ2 LYS 78 HZ2 LYS 78 12.230 -14.129 0.858 505 HZ3 LYS 78 HZ3 LYS 78 12.219 -15.679 0.180 506 H GLU 79 HN GLU 79 7.613 -10.361 -4.565 507 HA GLU 79 HA GLU 79 7.713 -12.760 -6.254 508 HB2 GLU 79 HB2 GLU 79 5.350 -11.746 -4.677 509 HB3 GLU 79 HB1 GLU 79 5.478 -13.277 -5.528 510 HG2 GLU 79 HG2 GLU 79 7.070 -12.463 -3.110 511 HG3 GLU 79 HG1 GLU 79 5.689 -13.560 -3.126 512 H LEU 80 HN LEU 80 6.445 -9.504 -5.915 513 HA LEU 80 HA LEU 80 4.919 -9.692 -8.371 514 HB2 LEU 80 HB2 LEU 80 5.281 -7.499 -6.361 515 HB3 LEU 80 HB1 LEU 80 4.375 -7.286 -7.849 516 HG LEU 80 HG LEU 80 3.714 -9.312 -5.708 517 HD11 LEU 80 HD11 LEU 80 3.331 -7.049 -4.908 518 HD12 LEU 80 HD12 LEU 80 1.794 -7.839 -5.254 519 HD13 LEU 80 HD13 LEU 80 2.450 -6.656 -6.384 520 HD21 LEU 80 HD21 LEU 80 2.609 -8.616 -8.388 521 HD22 LEU 80 HD22 LEU 80 1.524 -9.192 -7.123 522 HD23 LEU 80 HD23 LEU 80 2.870 -10.198 -7.657 523 H GLY 81 HN GLY 81 8.087 -8.835 -7.591 524 HA2 GLY 81 HA2 GLY 81 9.742 -7.730 -8.753 525 HA3 GLY 81 HA1 GLY 81 8.873 -8.283 -10.181 526 H MET 82 HN MET 82 7.436 -6.151 -7.827 527 HA MET 82 HA MET 82 6.674 -4.251 -9.754 528 HB2 MET 82 HB2 MET 82 6.951 -3.876 -6.763 529 HB3 MET 82 HB1 MET 82 6.017 -2.859 -7.849 530 HG2 MET 82 HG2 MET 82 4.609 -4.852 -8.373 531 HG3 MET 82 HG1 MET 82 5.475 -5.716 -7.106 532 HE1 MET 82 HE1 MET 82 3.797 -5.110 -4.073 533 HE2 MET 82 HE2 MET 82 5.240 -4.105 -4.175 534 HE3 MET 82 HE3 MET 82 5.214 -5.691 -4.949 535 H GLU 83 HN GLU 83 7.961 -2.857 -10.806 536 HA GLU 83 HA GLU 83 10.617 -2.239 -9.907 537 HB2 GLU 83 HB2 GLU 83 9.007 -1.840 -12.282 538 HB3 GLU 83 HB1 GLU 83 9.835 -0.355 -11.850 539 HG2 GLU 83 HG2 GLU 83 12.001 -1.510 -11.932 540 HG3 GLU 83 HG1 GLU 83 11.194 -3.032 -12.290 541 H GLU 84 HN GLU 84 10.502 0.622 -10.672 542 HA GLU 84 HA GLU 84 9.370 1.628 -8.151 543 HB2 GLU 84 HB2 GLU 84 10.955 3.204 -10.193 544 HB3 GLU 84 HB1 GLU 84 10.683 3.605 -8.508 545 HG2 GLU 84 HG2 GLU 84 12.851 2.915 -8.429 546 HG3 GLU 84 HG1 GLU 84 12.030 1.393 -8.089 547 H GLU 85 HN GLU 85 8.227 3.811 -8.403 548 HA GLU 85 HA GLU 85 6.577 5.116 -9.266 549 HB2 GLU 85 HB2 GLU 85 8.125 5.341 -11.178 550 HB3 GLU 85 HB1 GLU 85 7.387 3.933 -11.922 551 HG2 GLU 85 HG2 GLU 85 6.525 5.902 -12.959 552 HG3 GLU 85 HG1 GLU 85 5.241 5.158 -12.007 553 H ASP 86 HN ASP 86 6.421 1.833 -9.217 554 HA ASP 86 HA ASP 86 4.246 1.062 -10.702 555 HB2 ASP 86 HB2 ASP 86 5.490 0.143 -8.204 556 HB3 ASP 86 HB1 ASP 86 3.798 -0.309 -8.382 557 H VAL 87 HN VAL 87 2.076 0.378 -9.668 558 HA VAL 87 HA VAL 87 0.994 2.522 -7.984 559 HB VAL 87 HB VAL 87 -0.176 1.632 -10.635 560 HG11 VAL 87 HG11 VAL 87 -1.934 1.847 -8.945 561 HG12 VAL 87 HG12 VAL 87 -2.033 3.151 -10.130 562 HG13 VAL 87 HG13 VAL 87 -1.348 3.460 -8.534 563 HG21 VAL 87 HG21 VAL 87 1.620 3.320 -10.747 564 HG22 VAL 87 HG22 VAL 87 0.698 4.350 -9.653 565 HG23 VAL 87 HG23 VAL 87 0.061 3.970 -11.252 566 H ILE 88 HN ILE 88 -0.745 1.932 -6.721 567 HA ILE 88 HA ILE 88 -1.685 -0.854 -6.917 568 HB ILE 88 HB ILE 88 -0.963 0.618 -4.351 569 HG12 ILE 88 HG12 ILE 88 0.081 -1.923 -5.628 570 HG13 ILE 88 HG11 ILE 88 0.972 -0.421 -5.408 571 HG21 ILE 88 HG21 ILE 88 -2.272 -2.081 -4.736 572 HG22 ILE 88 HG22 ILE 88 -3.070 -0.631 -4.127 573 HG23 ILE 88 HG23 ILE 88 -1.777 -1.385 -3.193 574 HD11 ILE 88 HD11 ILE 88 -0.010 -2.238 -3.210 575 HD12 ILE 88 HD12 ILE 88 0.862 -0.724 -2.976 576 HD13 ILE 88 HD13 ILE 88 1.654 -2.083 -3.774 577 H GLU 89 HN GLU 89 -3.857 -1.045 -6.684 578 HA GLU 89 HA GLU 89 -5.388 1.442 -6.317 579 HB2 GLU 89 HB2 GLU 89 -5.603 -0.783 -8.141 580 HB3 GLU 89 HB1 GLU 89 -7.046 -0.677 -7.160 581 HG2 GLU 89 HG2 GLU 89 -7.581 0.591 -9.009 582 HG3 GLU 89 HG1 GLU 89 -7.089 1.796 -7.820 583 H VAL 90 HN VAL 90 -6.974 1.542 -4.745 584 HA VAL 90 HA VAL 90 -7.244 -0.831 -2.991 585 HB VAL 90 HB VAL 90 -7.572 2.051 -2.082 586 HG11 VAL 90 HG11 VAL 90 -7.283 0.982 0.168 587 HG12 VAL 90 HG12 VAL 90 -7.334 -0.589 -0.632 588 HG13 VAL 90 HG13 VAL 90 -8.737 0.478 -0.693 589 HG21 VAL 90 HG21 VAL 90 -5.158 0.277 -1.741 590 HG22 VAL 90 HG22 VAL 90 -5.380 1.877 -1.032 591 HG23 VAL 90 HG23 VAL 90 -5.254 1.697 -2.783 592 H TYR 91 HN TYR 91 -9.336 -1.468 -2.684 593 HA TYR 91 HA TYR 91 -11.435 0.376 -3.622 594 HB2 TYR 91 HB2 TYR 91 -11.289 -2.620 -4.016 595 HB3 TYR 91 HB1 TYR 91 -12.700 -1.637 -4.380 596 HD1 TYR 91 HD1 TYR 91 -9.120 -2.117 -5.280 597 HD2 TYR 91 HD2 TYR 91 -12.926 -0.602 -6.465 598 HE1 TYR 91 HE1 TYR 91 -8.256 -1.731 -7.562 599 HE2 TYR 91 HE2 TYR 91 -12.063 -0.197 -8.747 600 HH TYR 91 HH TYR 91 -9.842 0.187 -9.844 601 H GLN 92 HN GLN 92 -13.168 0.590 -2.324 602 HA GLN 92 HA GLN 92 -13.077 -0.184 0.378 603 HB2 GLN 92 HB2 GLN 92 -14.441 1.694 -0.288 604 HB3 GLN 92 HB1 GLN 92 -15.321 0.722 -1.449 605 HG2 GLN 92 HG2 GLN 92 -16.719 1.232 0.432 606 HG3 GLN 92 HG1 GLN 92 -16.384 -0.495 0.391 607 HE21 GLN 92 HE21 GLN 92 -16.903 -0.714 2.564 608 HE22 GLN 92 HE22 GLN 92 -15.851 -0.164 3.819 609 H GLU 93 HN GLU 93 -13.773 -2.097 1.345 610 HA GLU 93 HA GLU 93 -14.354 -4.274 -0.450 611 HB2 GLU 93 HB2 GLU 93 -12.925 -4.406 1.685 612 HB3 GLU 93 HB1 GLU 93 -14.455 -4.448 2.555 613 HG2 GLU 93 HG2 GLU 93 -13.576 -6.694 2.186 614 HG3 GLU 93 HG1 GLU 93 -15.112 -6.458 1.354 615 H GLN 94 HN GLN 94 -16.194 -5.432 -0.622 616 HA GLN 94 HA GLN 94 -18.598 -4.684 0.846 617 HB2 GLN 94 HB2 GLN 94 -19.825 -4.188 -1.229 618 HB3 GLN 94 HB1 GLN 94 -18.476 -3.070 -1.020 619 HG2 GLN 94 HG2 GLN 94 -17.126 -4.593 -2.492 620 HG3 GLN 94 HG1 GLN 94 -18.625 -5.448 -2.848 621 HE21 GLN 94 HE21 GLN 94 -19.716 -4.803 -4.532 622 HE22 GLN 94 HE22 GLN 94 -19.579 -3.264 -5.304 623 H THR 95 HN THR 95 -20.463 -6.041 -0.055 624 HA THR 95 HA THR 95 -19.688 -8.582 -1.286 625 HB THR 95 HB THR 95 -20.830 -9.906 0.433 626 HG1 THR 95 HG1 THR 95 -22.323 -8.379 1.190 627 HG21 THR 95 HG21 THR 95 -19.273 -9.597 2.315 628 HG22 THR 95 HG22 THR 95 -18.795 -8.032 1.659 629 HG23 THR 95 HG23 THR 95 -18.434 -9.510 0.766 630 H GLY 96 HN GLY 96 -21.747 -9.845 -1.802 631 HA2 GLY 96 HA2 GLY 96 -23.605 -8.142 -3.106 632 HA3 GLY 96 HA1 GLY 96 -23.775 -9.881 -2.901 633 H GLY 97 HN GLY 97 -26.079 -9.143 -2.688 634 HA2 GLY 97 HA2 GLY 97 -26.780 -9.034 0.141 635 HA3 GLY 97 HA1 GLY 97 -27.334 -7.668 -0.831 636 H1 ASP2705 HT1 ASP2705 11.878 -7.501 12.498 637 H2 ASP2705 HT2 ASP2705 13.280 -7.495 11.551 638 H3 ASP2705 HT3 ASP2705 11.900 -8.315 11.016 639 HA ASP2705 HA ASP2705 12.182 -6.236 9.841 640 HB2 ASP2705 HB2 ASP2705 9.923 -5.314 10.275 641 HB3 ASP2705 HB1 ASP2705 9.918 -7.069 10.153 642 H ASN2706 HN ASN2706 13.631 -6.071 12.552 643 HA ASN2706 HA ASN2706 13.062 -3.309 13.302 644 HB2 ASN2706 HB2 ASN2706 13.739 -5.465 14.808 645 HB3 ASN2706 HB1 ASN2706 15.323 -4.736 14.567 646 HD21 ASN2706 HD21 ASN2706 14.214 -2.028 14.406 647 HD22 ASN2706 HD22 ASN2706 13.815 -1.589 16.028 648 H GLU2707 HN GLU2707 15.266 -5.142 11.416 649 HA GLU2707 HA GLU2707 17.338 -3.112 11.404 650 HB2 GLU2707 HB2 GLU2707 17.190 -5.533 9.611 651 HB3 GLU2707 HB1 GLU2707 18.617 -4.625 10.089 652 HG2 GLU2707 HG2 GLU2707 18.881 -6.387 11.472 653 HG3 GLU2707 HG1 GLU2707 17.823 -5.425 12.502 654 H ILE2708 HN ILE2708 14.489 -3.811 9.694 655 HA ILE2708 HA ILE2708 15.322 -2.108 7.437 656 HB ILE2708 HB ILE2708 13.156 -3.149 6.393 657 HG12 ILE2708 HG12 ILE2708 13.914 -5.151 8.533 658 HG13 ILE2708 HG11 ILE2708 12.356 -4.363 8.315 659 HG21 ILE2708 HG21 ILE2708 14.552 -4.996 5.476 660 HG22 ILE2708 HG22 ILE2708 15.786 -4.595 6.668 661 HG23 ILE2708 HG23 ILE2708 15.335 -3.417 5.435 662 HD11 ILE2708 HD11 ILE2708 12.238 -6.653 7.590 663 HD12 ILE2708 HD12 ILE2708 13.600 -6.410 6.496 664 HD13 ILE2708 HD13 ILE2708 12.071 -5.584 6.197 665 H GLU2709 HN GLU2709 13.645 -0.645 6.558 666 HA GLU2709 HA GLU2709 11.479 0.053 8.372 667 HB2 GLU2709 HB2 GLU2709 13.363 1.265 9.311 668 HB3 GLU2709 HB1 GLU2709 13.750 1.941 7.736 669 HG2 GLU2709 HG2 GLU2709 12.681 3.658 8.918 670 HG3 GLU2709 HG1 GLU2709 11.476 3.035 7.790 671 H VAL2710 HN VAL2710 9.925 1.461 7.493 672 HA VAL2710 HA VAL2710 10.131 1.924 4.591 673 HB VAL2710 HB VAL2710 7.588 1.748 4.594 674 HG11 VAL2710 HG11 VAL2710 9.117 -0.769 5.240 675 HG12 VAL2710 HG12 VAL2710 9.123 0.040 3.675 676 HG13 VAL2710 HG13 VAL2710 7.625 -0.645 4.306 677 HG21 VAL2710 HG21 VAL2710 8.110 0.354 7.223 678 HG22 VAL2710 HG22 VAL2710 6.573 0.399 6.358 679 HG23 VAL2710 HG23 VAL2710 7.256 1.883 7.018 680 H ILE2711 HN ILE2711 10.058 3.998 4.030 681 HA ILE2711 HA ILE2711 8.951 5.943 5.948 682 HB ILE2711 HB ILE2711 10.850 6.526 3.672 683 HG12 ILE2711 HG12 ILE2711 11.544 6.225 6.604 684 HG13 ILE2711 HG11 ILE2711 11.805 4.963 5.406 685 HG21 ILE2711 HG21 ILE2711 9.541 8.435 4.429 686 HG22 ILE2711 HG22 ILE2711 11.234 8.624 4.884 687 HG23 ILE2711 HG23 ILE2711 10.045 8.140 6.093 688 HD11 ILE2711 HD11 ILE2711 13.312 6.463 4.182 689 HD12 ILE2711 HD12 ILE2711 13.853 6.164 5.834 690 HD13 ILE2711 HD13 ILE2711 13.073 7.692 5.425 691 H ILE2712 HN ILE2712 7.041 6.837 5.428 692 HA ILE2712 HA ILE2712 6.388 7.106 2.570 693 HB ILE2712 HB ILE2712 4.031 6.678 3.058 694 HG12 ILE2712 HG12 ILE2712 4.695 5.585 5.760 695 HG13 ILE2712 HG11 ILE2712 4.456 7.323 5.602 696 HG21 ILE2712 HG21 ILE2712 5.543 4.362 4.199 697 HG22 ILE2712 HG22 ILE2712 5.797 4.870 2.530 698 HG23 ILE2712 HG23 ILE2712 4.192 4.365 3.062 699 HD11 ILE2712 HD11 ILE2712 2.230 6.942 4.694 700 HD12 ILE2712 HD12 ILE2712 2.410 6.194 6.280 701 HD13 ILE2712 HD13 ILE2712 2.468 5.200 4.825 702 H VAL2713 HN VAL2713 6.356 9.170 2.057 703 HA VAL2713 HA VAL2713 4.865 10.969 3.604 704 HB VAL2713 HB VAL2713 7.637 11.703 2.689 705 HG11 VAL2713 HG11 VAL2713 5.636 13.284 4.301 706 HG12 VAL2713 HG12 VAL2713 6.056 13.563 2.611 707 HG13 VAL2713 HG13 VAL2713 7.267 13.803 3.872 708 HG21 VAL2713 HG21 VAL2713 6.631 11.289 5.506 709 HG22 VAL2713 HG22 VAL2713 8.241 11.844 5.051 710 HG23 VAL2713 HG23 VAL2713 7.721 10.212 4.632 711 H TRP2714 HN TRP2714 3.384 11.730 2.283 712 HA TRP2714 HA TRP2714 3.913 11.881 -0.572 713 HB2 TRP2714 HB2 TRP2714 1.769 10.931 0.385 714 HB3 TRP2714 HB1 TRP2714 1.343 12.569 0.857 715 HD1 TRP2714 HD1 TRP2714 2.623 11.057 -2.502 716 HE1 TRP2714 HE1 TRP2714 1.154 11.995 -4.393 717 HE3 TRP2714 HE3 TRP2714 -0.564 13.898 0.291 718 HZ2 TRP2714 HZ2 TRP2714 -1.063 13.718 -4.664 719 HZ3 TRP2714 HZ3 TRP2714 -2.333 15.151 -0.859 720 HH2 TRP2714 HH2 TRP2714 -2.576 15.069 -3.278 721 H GLU2715 HN GLU2715 3.037 13.802 -1.755 722 HA GLU2715 HA GLU2715 3.337 16.271 -0.250 723 HB2 GLU2715 HB2 GLU2715 4.907 15.382 -2.602 724 HB3 GLU2715 HB1 GLU2715 4.374 17.058 -2.614 725 HG2 GLU2715 HG2 GLU2715 5.870 15.836 -0.314 726 HG3 GLU2715 HG1 GLU2715 6.668 16.622 -1.676 727 H LYS2716 HN LYS2716 1.768 17.756 -0.691 728 HA LYS2716 HA LYS2716 -0.339 16.958 -2.494 729 HB2 LYS2716 HB2 LYS2716 -0.034 18.861 -0.287 730 HB3 LYS2716 HB1 LYS2716 -1.050 19.449 -1.596 731 HG2 LYS2716 HG2 LYS2716 -1.455 16.776 -0.284 732 HG3 LYS2716 HG1 LYS2716 -2.243 18.254 0.269 733 HD2 LYS2716 HD2 LYS2716 -2.442 17.388 -2.593 734 HD3 LYS2716 HD1 LYS2716 -3.505 16.679 -1.373 735 HE2 LYS2716 HE2 LYS2716 -4.452 18.797 -0.858 736 HE3 LYS2716 HE1 LYS2716 -3.207 19.656 -1.764 737 HZ1 LYS2716 HZ1 LYS2716 -4.085 18.814 -3.802 738 HZ2 LYS2716 HZ2 LYS2716 -5.368 19.494 -2.930 739 HZ3 LYS2716 HZ3 LYS2716 -5.182 17.813 -2.991 740 H LYS2717 HN LYS2717 -1.175 18.155 -4.204 741 HA LYS2717 HA LYS2717 0.804 19.847 -5.550 742 HB2 LYS2717 HB2 LYS2717 -1.468 18.145 -6.529 743 HB3 LYS2717 HB1 LYS2717 -0.808 19.421 -7.543 744 HG2 LYS2717 HG2 LYS2717 0.743 17.106 -6.398 745 HG3 LYS2717 HG1 LYS2717 0.172 17.250 -8.062 746 HD2 LYS2717 HD2 LYS2717 2.094 18.264 -8.553 747 HD3 LYS2717 HD1 LYS2717 1.570 19.617 -7.552 748 HE2 LYS2717 HE2 LYS2717 2.553 18.441 -5.582 749 HE3 LYS2717 HE1 LYS2717 3.208 17.238 -6.693 750 HZ1 LYS2717 HZ1 LYS2717 3.830 20.141 -6.706 751 HZ2 LYS2717 HZ2 LYS2717 4.441 19.009 -7.803 752 HZ3 LYS2717 HZ3 LYS2717 4.856 18.907 -6.166 Start of MODEL 5 1 H1 GLU 20 HT1 GLU 20 16.749 1.371 -4.393 2 H2 GLU 20 HT2 GLU 20 16.614 -0.309 -4.257 3 H3 GLU 20 HT3 GLU 20 18.118 0.436 -4.051 4 HA GLU 20 HA GLU 20 17.188 -0.220 -1.936 5 HB2 GLU 20 HB2 GLU 20 17.490 2.702 -2.565 6 HB3 GLU 20 HB1 GLU 20 17.113 2.173 -0.931 7 HG2 GLU 20 HG2 GLU 20 19.518 1.337 -2.537 8 HG3 GLU 20 HG1 GLU 20 19.504 2.532 -1.240 9 H TYR 21 HN TYR 21 15.299 2.609 -3.024 10 HA TYR 21 HA TYR 21 12.968 1.425 -1.680 11 HB2 TYR 21 HB2 TYR 21 13.665 4.303 -2.268 12 HB3 TYR 21 HB1 TYR 21 12.080 3.795 -1.696 13 HD1 TYR 21 HD1 TYR 21 11.905 2.680 0.556 14 HD2 TYR 21 HD2 TYR 21 15.466 4.595 -0.767 15 HE1 TYR 21 HE1 TYR 21 12.699 2.794 2.879 16 HE2 TYR 21 HE2 TYR 21 16.271 4.714 1.553 17 HH TYR 21 HH TYR 21 14.755 3.012 4.112 18 H ILE 22 HN ILE 22 11.116 1.066 -2.743 19 HA ILE 22 HA ILE 22 11.108 1.563 -5.638 20 HB ILE 22 HB ILE 22 9.277 -0.137 -5.712 21 HG12 ILE 22 HG12 ILE 22 10.059 -0.703 -2.845 22 HG13 ILE 22 HG11 ILE 22 8.592 0.151 -3.314 23 HG21 ILE 22 HG21 ILE 22 11.329 -0.994 -6.341 24 HG22 ILE 22 HG22 ILE 22 10.853 -2.085 -5.040 25 HG23 ILE 22 HG23 ILE 22 12.021 -0.800 -4.732 26 HD11 ILE 22 HD11 ILE 22 7.815 -1.824 -4.503 27 HD12 ILE 22 HD12 ILE 22 8.152 -2.188 -2.811 28 HD13 ILE 22 HD13 ILE 22 9.293 -2.677 -4.064 29 H LYS 23 HN LYS 23 9.326 2.520 -6.646 30 HA LYS 23 HA LYS 23 7.776 4.259 -4.901 31 HB2 LYS 23 HB2 LYS 23 8.906 5.232 -6.857 32 HB3 LYS 23 HB1 LYS 23 7.972 4.190 -7.918 33 HG2 LYS 23 HG2 LYS 23 5.917 5.292 -7.232 34 HG3 LYS 23 HG1 LYS 23 6.822 6.309 -6.110 35 HD2 LYS 23 HD2 LYS 23 7.324 6.250 -9.082 36 HD3 LYS 23 HD1 LYS 23 6.225 7.389 -8.303 37 HE2 LYS 23 HE2 LYS 23 8.081 8.229 -6.936 38 HE3 LYS 23 HE1 LYS 23 9.175 7.098 -7.731 39 HZ1 LYS 23 HZ1 LYS 23 8.743 8.206 -9.831 40 HZ2 LYS 23 HZ2 LYS 23 9.325 9.311 -8.691 41 HZ3 LYS 23 HZ3 LYS 23 7.679 9.284 -9.077 42 H LEU 24 HN LEU 24 6.023 3.317 -4.059 43 HA LEU 24 HA LEU 24 4.317 1.712 -5.836 44 HB2 LEU 24 HB2 LEU 24 4.609 1.757 -2.838 45 HB3 LEU 24 HB1 LEU 24 3.251 0.982 -3.633 46 HG LEU 24 HG LEU 24 6.145 0.237 -4.070 47 HD11 LEU 24 HD11 LEU 24 5.442 -0.303 -1.808 48 HD12 LEU 24 HD12 LEU 24 5.615 -1.769 -2.773 49 HD13 LEU 24 HD13 LEU 24 4.010 -1.121 -2.433 50 HD21 LEU 24 HD21 LEU 24 4.811 -0.273 -6.004 51 HD22 LEU 24 HD22 LEU 24 3.565 -1.013 -5.001 52 HD23 LEU 24 HD23 LEU 24 5.152 -1.769 -5.137 53 H LYS 25 HN LYS 25 2.837 2.955 -6.754 54 HA LYS 25 HA LYS 25 1.785 5.296 -5.437 55 HB2 LYS 25 HB2 LYS 25 1.345 4.033 -8.128 56 HB3 LYS 25 HB1 LYS 25 0.344 5.366 -7.572 57 HG2 LYS 25 HG2 LYS 25 2.279 6.795 -7.389 58 HG3 LYS 25 HG1 LYS 25 3.343 5.454 -7.819 59 HD2 LYS 25 HD2 LYS 25 2.481 5.360 -10.025 60 HD3 LYS 25 HD1 LYS 25 1.136 6.428 -9.619 61 HE2 LYS 25 HE2 LYS 25 2.637 8.290 -9.339 62 HE3 LYS 25 HE1 LYS 25 4.038 7.242 -9.562 63 HZ1 LYS 25 HZ1 LYS 25 3.395 6.857 -11.827 64 HZ2 LYS 25 HZ2 LYS 25 3.461 8.526 -11.563 65 HZ3 LYS 25 HZ3 LYS 25 1.964 7.741 -11.630 66 H VAL 26 HN VAL 26 0.491 4.789 -3.747 67 HA VAL 26 HA VAL 26 -1.603 2.790 -4.100 68 HB VAL 26 HB VAL 26 -0.900 4.402 -1.636 69 HG11 VAL 26 HG11 VAL 26 -3.208 3.619 -1.614 70 HG12 VAL 26 HG12 VAL 26 -2.237 2.736 -0.435 71 HG13 VAL 26 HG13 VAL 26 -2.667 1.978 -1.968 72 HG21 VAL 26 HG21 VAL 26 0.930 2.939 -2.306 73 HG22 VAL 26 HG22 VAL 26 -0.179 1.569 -2.382 74 HG23 VAL 26 HG23 VAL 26 0.161 2.344 -0.835 75 H ILE 27 HN ILE 27 -3.065 3.679 -5.430 76 HA ILE 27 HA ILE 27 -4.214 6.294 -4.775 77 HB ILE 27 HB ILE 27 -4.302 4.637 -7.289 78 HG12 ILE 27 HG12 ILE 27 -3.170 7.367 -6.638 79 HG13 ILE 27 HG11 ILE 27 -2.237 5.900 -6.910 80 HG21 ILE 27 HG21 ILE 27 -5.695 7.243 -6.699 81 HG22 ILE 27 HG22 ILE 27 -6.479 5.676 -6.909 82 HG23 ILE 27 HG23 ILE 27 -5.638 6.431 -8.264 83 HD11 ILE 27 HD11 ILE 27 -2.183 7.347 -8.852 84 HD12 ILE 27 HD12 ILE 27 -3.944 7.313 -8.945 85 HD13 ILE 27 HD13 ILE 27 -3.018 5.838 -9.222 86 H GLY 28 HN GLY 28 -6.051 6.330 -3.703 87 HA2 GLY 28 HA2 GLY 28 -7.637 3.953 -3.351 88 HA3 GLY 28 HA1 GLY 28 -7.949 5.532 -2.649 89 H GLN 29 HN GLN 29 -10.214 4.956 -3.183 90 HA GLN 29 HA GLN 29 -10.783 5.499 -6.021 91 HB2 GLN 29 HB2 GLN 29 -11.471 3.249 -4.749 92 HB3 GLN 29 HB1 GLN 29 -12.866 4.237 -4.324 93 HG2 GLN 29 HG2 GLN 29 -13.123 2.854 -6.389 94 HG3 GLN 29 HG1 GLN 29 -13.427 4.581 -6.597 95 HE21 GLN 29 HE21 GLN 29 -12.425 5.565 -8.206 96 HE22 GLN 29 HE22 GLN 29 -11.045 4.971 -9.057 97 H ASP 30 HN ASP 30 -10.325 7.624 -4.399 98 HA ASP 30 HA ASP 30 -12.728 9.121 -4.683 99 HB2 ASP 30 HB2 ASP 30 -12.816 9.784 -2.217 100 HB3 ASP 30 HB1 ASP 30 -13.426 8.183 -2.616 101 H SER 31 HN SER 31 -9.920 9.073 -5.438 102 HA SER 31 HA SER 31 -8.333 10.567 -6.007 103 HB2 SER 31 HB2 SER 31 -10.138 12.213 -6.207 104 HB3 SER 31 HB1 SER 31 -9.991 12.587 -4.489 105 HG SER 31 HG SER 31 -7.611 12.909 -5.272 106 H SER 32 HN SER 32 -8.597 9.218 -3.219 107 HA SER 32 HA SER 32 -6.792 10.815 -1.604 108 HB2 SER 32 HB2 SER 32 -8.506 9.567 -0.430 109 HB3 SER 32 HB1 SER 32 -8.023 8.070 -1.227 110 HG SER 32 HG SER 32 -5.908 9.161 0.009 111 H GLU 33 HN GLU 33 -4.768 10.895 -2.504 112 HA GLU 33 HA GLU 33 -3.533 8.292 -3.185 113 HB2 GLU 33 HB2 GLU 33 -3.769 9.838 -5.113 114 HB3 GLU 33 HB1 GLU 33 -2.799 11.026 -4.255 115 HG2 GLU 33 HG2 GLU 33 -0.930 9.385 -4.220 116 HG3 GLU 33 HG1 GLU 33 -1.907 8.322 -5.231 117 H ILE 34 HN ILE 34 -1.376 7.926 -2.533 118 HA ILE 34 HA ILE 34 -0.090 9.869 -0.787 119 HB ILE 34 HB ILE 34 -0.860 7.097 0.164 120 HG12 ILE 34 HG12 ILE 34 -1.434 9.862 1.254 121 HG13 ILE 34 HG11 ILE 34 -2.598 8.763 0.523 122 HG21 ILE 34 HG21 ILE 34 0.492 7.417 2.109 123 HG22 ILE 34 HG22 ILE 34 0.917 9.054 1.610 124 HG23 ILE 34 HG23 ILE 34 1.513 7.671 0.692 125 HD11 ILE 34 HD11 ILE 34 -1.119 8.291 3.100 126 HD12 ILE 34 HD12 ILE 34 -2.313 7.214 2.376 127 HD13 ILE 34 HD13 ILE 34 -2.796 8.811 2.946 128 H HIS 35 HN HIS 35 2.165 9.744 -0.879 129 HA HIS 35 HA HIS 35 3.228 7.846 -2.811 130 HB2 HIS 35 HB2 HIS 35 4.245 10.316 -1.485 131 HB3 HIS 35 HB1 HIS 35 5.425 9.155 -2.083 132 HD1 HIS 35 HD1 HIS 35 4.806 12.103 -3.265 133 HD2 HIS 35 HD2 HIS 35 3.635 8.445 -4.850 134 HE1 HIS 35 HE1 HIS 35 4.429 12.486 -5.735 135 H PHE 36 HN PHE 36 4.283 6.050 -2.355 136 HA PHE 36 HA PHE 36 4.993 5.529 0.454 137 HB2 PHE 36 HB2 PHE 36 3.788 3.813 -1.673 138 HB3 PHE 36 HB1 PHE 36 4.788 3.058 -0.440 139 HD1 PHE 36 HD2 PHE 36 1.913 5.413 -0.755 140 HD2 PHE 36 HD1 PHE 36 3.793 2.323 1.483 141 HE1 PHE 36 HE2 PHE 36 -0.018 5.340 0.764 142 HE2 PHE 36 HE1 PHE 36 1.864 2.244 3.005 143 HZ PHE 36 HZ PHE 36 -0.043 3.758 2.647 144 H LYS 37 HN LYS 37 7.020 5.071 0.935 145 HA LYS 37 HA LYS 37 8.858 4.233 -1.216 146 HB2 LYS 37 HB2 LYS 37 9.430 5.910 1.244 147 HB3 LYS 37 HB1 LYS 37 10.670 5.278 0.171 148 HG2 LYS 37 HG2 LYS 37 9.781 6.586 -1.667 149 HG3 LYS 37 HG1 LYS 37 8.482 7.182 -0.633 150 HD2 LYS 37 HD2 LYS 37 10.160 8.222 0.839 151 HD3 LYS 37 HD1 LYS 37 11.436 7.659 -0.242 152 HE2 LYS 37 HE2 LYS 37 10.511 8.988 -2.057 153 HE3 LYS 37 HE1 LYS 37 9.188 9.514 -1.017 154 HZ1 LYS 37 HZ1 LYS 37 12.069 10.098 -0.583 155 HZ2 LYS 37 HZ2 LYS 37 10.802 10.602 0.418 156 HZ3 LYS 37 HZ3 LYS 37 10.915 11.192 -1.163 157 H VAL 38 HN VAL 38 9.126 2.101 -0.968 158 HA VAL 38 HA VAL 38 9.514 1.059 1.763 159 HB VAL 38 HB VAL 38 8.344 -0.724 -0.320 160 HG11 VAL 38 HG11 VAL 38 8.932 -1.611 1.868 161 HG12 VAL 38 HG12 VAL 38 7.191 -1.683 1.606 162 HG13 VAL 38 HG13 VAL 38 7.875 -0.432 2.643 163 HG21 VAL 38 HG21 VAL 38 6.970 1.255 -0.575 164 HG22 VAL 38 HG22 VAL 38 6.725 1.341 1.169 165 HG23 VAL 38 HG23 VAL 38 6.060 -0.010 0.251 166 H LYS 39 HN LYS 39 10.868 -0.814 1.952 167 HA LYS 39 HA LYS 39 12.984 -0.854 -0.038 168 HB2 LYS 39 HB2 LYS 39 12.697 -2.122 2.686 169 HB3 LYS 39 HB1 LYS 39 14.060 -2.454 1.630 170 HG2 LYS 39 HG2 LYS 39 14.445 0.060 1.589 171 HG3 LYS 39 HG1 LYS 39 13.307 0.138 2.936 172 HD2 LYS 39 HD2 LYS 39 14.707 -1.306 4.266 173 HD3 LYS 39 HD1 LYS 39 15.796 -1.566 2.902 174 HE2 LYS 39 HE2 LYS 39 16.269 0.886 2.913 175 HE3 LYS 39 HE1 LYS 39 15.321 1.009 4.395 176 HZ1 LYS 39 HZ1 LYS 39 16.862 -0.562 5.437 177 HZ2 LYS 39 HZ2 LYS 39 17.654 0.836 4.910 178 HZ3 LYS 39 HZ3 LYS 39 17.791 -0.597 4.022 179 H MET 40 HN MET 40 13.937 -3.413 0.061 180 HA MET 40 HA MET 40 11.851 -4.853 -1.405 181 HB2 MET 40 HB2 MET 40 14.846 -5.245 -1.331 182 HB3 MET 40 HB1 MET 40 13.734 -6.217 -2.284 183 HG2 MET 40 HG2 MET 40 13.060 -4.221 -3.528 184 HG3 MET 40 HG1 MET 40 14.188 -3.255 -2.580 185 HE1 MET 40 HE1 MET 40 17.653 -4.601 -3.736 186 HE2 MET 40 HE2 MET 40 16.734 -5.167 -2.342 187 HE3 MET 40 HE3 MET 40 16.789 -3.446 -2.721 188 H THR 41 HN THR 41 13.518 -4.924 1.572 189 HA THR 41 HA THR 41 12.859 -7.760 2.004 190 HB THR 41 HB THR 41 14.409 -6.215 4.029 191 HG1 THR 41 HG1 THR 41 15.559 -7.181 1.603 192 HG21 THR 41 HG21 THR 41 13.876 -8.571 4.406 193 HG22 THR 41 HG22 THR 41 15.615 -8.347 4.223 194 HG23 THR 41 HG23 THR 41 14.665 -9.002 2.889 195 H THR 42 HN THR 42 11.032 -5.328 2.117 196 HA THR 42 HA THR 42 10.118 -5.612 4.903 197 HB THR 42 HB THR 42 8.786 -3.474 4.302 198 HG1 THR 42 HG1 THR 42 9.347 -3.624 2.028 199 HG21 THR 42 HG21 THR 42 11.794 -3.284 4.493 200 HG22 THR 42 HG22 THR 42 10.726 -3.599 5.857 201 HG23 THR 42 HG23 THR 42 10.620 -2.066 4.993 202 H HIS 43 HN HIS 43 8.072 -6.269 5.338 203 HA HIS 43 HA HIS 43 6.625 -7.615 3.272 204 HB2 HIS 43 HB2 HIS 43 6.067 -7.145 6.199 205 HB3 HIS 43 HB1 HIS 43 4.949 -8.010 5.151 206 HD1 HIS 43 HD1 HIS 43 8.345 -8.347 6.746 207 HD2 HIS 43 HD2 HIS 43 5.665 -10.589 4.498 208 HE1 HIS 43 HE1 HIS 43 9.197 -10.727 6.793 209 H LEU 44 HN LEU 44 4.352 -7.289 2.794 210 HA LEU 44 HA LEU 44 3.777 -4.503 2.324 211 HB2 LEU 44 HB2 LEU 44 2.292 -7.031 1.632 212 HB3 LEU 44 HB1 LEU 44 1.704 -5.431 1.225 213 HG LEU 44 HG LEU 44 4.228 -6.731 0.211 214 HD11 LEU 44 HD11 LEU 44 3.146 -7.111 -1.748 215 HD12 LEU 44 HD12 LEU 44 2.058 -5.739 -1.543 216 HD13 LEU 44 HD13 LEU 44 1.772 -7.231 -0.649 217 HD21 LEU 44 HD21 LEU 44 4.683 -4.396 0.499 218 HD22 LEU 44 HD22 LEU 44 3.142 -3.957 -0.235 219 HD23 LEU 44 HD23 LEU 44 4.405 -4.697 -1.216 220 H LYS 45 HN LYS 45 3.207 -6.618 4.849 221 HA LYS 45 HA LYS 45 0.600 -5.827 5.634 222 HB2 LYS 45 HB2 LYS 45 1.776 -7.869 6.468 223 HB3 LYS 45 HB1 LYS 45 2.841 -6.826 7.401 224 HG2 LYS 45 HG2 LYS 45 1.110 -6.133 8.818 225 HG3 LYS 45 HG1 LYS 45 -0.137 -6.740 7.727 226 HD2 LYS 45 HD2 LYS 45 0.609 -9.035 8.175 227 HD3 LYS 45 HD1 LYS 45 1.827 -8.411 9.292 228 HE2 LYS 45 HE2 LYS 45 0.189 -7.635 10.802 229 HE3 LYS 45 HE1 LYS 45 -1.101 -7.815 9.614 230 HZ1 LYS 45 HZ1 LYS 45 -1.125 -9.576 11.287 231 HZ2 LYS 45 HZ2 LYS 45 0.426 -10.058 10.817 232 HZ3 LYS 45 HZ3 LYS 45 -0.866 -10.196 9.735 233 H LYS 46 HN LYS 46 3.825 -4.577 6.242 234 HA LYS 46 HA LYS 46 3.014 -2.656 8.196 235 HB2 LYS 46 HB2 LYS 46 5.514 -2.733 6.497 236 HB3 LYS 46 HB1 LYS 46 5.271 -1.731 7.921 237 HG2 LYS 46 HG2 LYS 46 5.337 -4.742 7.874 238 HG3 LYS 46 HG1 LYS 46 6.632 -3.683 8.432 239 HD2 LYS 46 HD2 LYS 46 5.351 -2.935 10.278 240 HD3 LYS 46 HD1 LYS 46 3.871 -3.638 9.627 241 HE2 LYS 46 HE2 LYS 46 4.950 -5.889 9.863 242 HE3 LYS 46 HE1 LYS 46 6.263 -5.093 10.730 243 HZ1 LYS 46 HZ1 LYS 46 4.593 -6.027 12.229 244 HZ2 LYS 46 HZ2 LYS 46 3.405 -5.039 11.540 245 HZ3 LYS 46 HZ3 LYS 46 4.693 -4.345 12.387 246 H LEU 47 HN LEU 47 3.231 -2.766 4.741 247 HA LEU 47 HA LEU 47 3.030 0.027 4.237 248 HB2 LEU 47 HB2 LEU 47 3.852 -1.395 2.499 249 HB3 LEU 47 HB1 LEU 47 2.448 -2.436 2.593 250 HG LEU 47 HG LEU 47 1.836 0.349 1.876 251 HD11 LEU 47 HD11 LEU 47 2.624 0.086 -0.436 252 HD12 LEU 47 HD12 LEU 47 3.453 -1.399 0.029 253 HD13 LEU 47 HD13 LEU 47 3.953 0.144 0.720 254 HD21 LEU 47 HD21 LEU 47 0.424 -0.769 0.223 255 HD22 LEU 47 HD22 LEU 47 0.174 -1.447 1.833 256 HD23 LEU 47 HD23 LEU 47 1.146 -2.321 0.649 257 H LYS 48 HN LYS 48 0.765 -2.617 4.625 258 HA LYS 48 HA LYS 48 -1.603 -1.199 3.983 259 HB2 LYS 48 HB2 LYS 48 -1.278 -3.709 4.023 260 HB3 LYS 48 HB1 LYS 48 -1.343 -3.617 5.776 261 HG2 LYS 48 HG2 LYS 48 -3.612 -2.665 5.609 262 HG3 LYS 48 HG1 LYS 48 -3.538 -2.868 3.857 263 HD2 LYS 48 HD2 LYS 48 -3.230 -5.284 4.159 264 HD3 LYS 48 HD1 LYS 48 -3.320 -5.073 5.909 265 HE2 LYS 48 HE2 LYS 48 -5.604 -4.099 5.583 266 HE3 LYS 48 HE1 LYS 48 -5.495 -4.564 3.886 267 HZ1 LYS 48 HZ1 LYS 48 -5.369 -6.410 6.210 268 HZ2 LYS 48 HZ2 LYS 48 -5.217 -6.871 4.590 269 HZ3 LYS 48 HZ3 LYS 48 -6.677 -6.228 5.152 270 H GLU 49 HN GLU 49 0.162 -1.808 6.975 271 HA GLU 49 HA GLU 49 -1.771 -0.727 8.747 272 HB2 GLU 49 HB2 GLU 49 1.205 -1.157 9.039 273 HB3 GLU 49 HB1 GLU 49 0.176 -0.595 10.349 274 HG2 GLU 49 HG2 GLU 49 -1.047 -2.646 10.355 275 HG3 GLU 49 HG1 GLU 49 -0.231 -3.196 8.894 276 H SER 50 HN SER 50 0.970 0.644 7.021 277 HA SER 50 HA SER 50 0.956 3.156 8.334 278 HB2 SER 50 HB2 SER 50 2.094 2.291 5.674 279 HB3 SER 50 HB1 SER 50 2.363 3.881 6.385 280 HG SER 50 HG SER 50 3.145 1.363 7.421 281 H TYR 51 HN TYR 51 -0.657 1.944 5.436 282 HA TYR 51 HA TYR 51 -1.595 4.485 4.556 283 HB2 TYR 51 HB2 TYR 51 -1.390 2.403 3.132 284 HB3 TYR 51 HB1 TYR 51 -2.837 1.804 3.933 285 HD1 TYR 51 HD1 TYR 51 -1.713 4.942 2.221 286 HD2 TYR 51 HD2 TYR 51 -4.817 2.091 2.792 287 HE1 TYR 51 HE1 TYR 51 -3.104 6.140 0.587 288 HE2 TYR 51 HE2 TYR 51 -6.217 3.282 1.159 289 HH TYR 51 HH TYR 51 -4.980 5.737 -0.879 290 H CYS 52 HN CYS 52 -2.906 1.977 6.640 291 HA CYS 52 HA CYS 52 -5.530 3.033 6.815 292 HB2 CYS 52 HB2 CYS 52 -3.986 1.094 8.522 293 HB3 CYS 52 HB1 CYS 52 -5.649 1.546 8.878 294 HG CYS 52 HG CYS 52 -6.808 0.327 6.801 295 H GLN 53 HN GLN 53 -2.627 3.488 8.810 296 HA GLN 53 HA GLN 53 -4.042 5.038 10.773 297 HB2 GLN 53 HB2 GLN 53 -1.830 5.463 11.757 298 HB3 GLN 53 HB1 GLN 53 -2.103 3.753 11.461 299 HG2 GLN 53 HG2 GLN 53 -0.029 3.842 10.621 300 HG3 GLN 53 HG1 GLN 53 -0.856 4.426 9.178 301 HE21 GLN 53 HE21 GLN 53 0.904 5.590 8.461 302 HE22 GLN 53 HE22 GLN 53 1.440 7.042 9.231 303 H ARG 54 HN ARG 54 -2.284 5.735 7.848 304 HA ARG 54 HA ARG 54 -2.112 8.576 8.414 305 HB2 ARG 54 HB2 ARG 54 -0.358 7.259 7.143 306 HB3 ARG 54 HB1 ARG 54 -1.502 7.163 5.813 307 HG2 ARG 54 HG2 ARG 54 -0.055 8.935 5.288 308 HG3 ARG 54 HG1 ARG 54 -1.548 9.694 5.844 309 HD2 ARG 54 HD2 ARG 54 0.228 10.879 6.866 310 HD3 ARG 54 HD1 ARG 54 -0.476 9.860 8.121 311 HE ARG 54 HE ARG 54 1.716 8.593 6.803 312 HH11 ARG 54 HH11 ARG 54 0.890 10.914 9.272 313 HH12 ARG 54 HH12 ARG 54 2.369 10.698 10.148 314 HH21 ARG 54 HH21 ARG 54 3.663 8.310 7.945 315 HH22 ARG 54 HH22 ARG 54 3.945 9.217 9.393 316 H GLN 55 HN GLN 55 -4.620 6.663 7.570 317 HA GLN 55 HA GLN 55 -5.871 8.820 6.011 318 HB2 GLN 55 HB2 GLN 55 -5.172 6.546 4.822 319 HB3 GLN 55 HB1 GLN 55 -6.708 6.015 5.488 320 HG2 GLN 55 HG2 GLN 55 -6.977 6.791 3.214 321 HG3 GLN 55 HG1 GLN 55 -7.845 7.838 4.336 322 HE21 GLN 55 HE21 GLN 55 -7.216 9.945 4.579 323 HE22 GLN 55 HE22 GLN 55 -6.036 10.705 3.573 324 H GLY 56 HN GLY 56 -6.049 6.846 8.761 325 HA2 GLY 56 HA2 GLY 56 -7.682 6.635 10.370 326 HA3 GLY 56 HA1 GLY 56 -8.518 7.956 9.577 327 H VAL 57 HN VAL 57 -7.793 4.543 8.810 328 HA VAL 57 HA VAL 57 -10.649 3.993 8.549 329 HB VAL 57 HB VAL 57 -8.677 3.611 6.281 330 HG11 VAL 57 HG11 VAL 57 -10.642 2.696 5.067 331 HG12 VAL 57 HG12 VAL 57 -11.529 2.696 6.591 332 HG13 VAL 57 HG13 VAL 57 -10.094 1.687 6.404 333 HG21 VAL 57 HG21 VAL 57 -10.192 5.083 5.047 334 HG22 VAL 57 HG22 VAL 57 -9.550 5.885 6.481 335 HG23 VAL 57 HG23 VAL 57 -11.198 5.257 6.485 336 HA PRO 58 HA PRO 58 -9.141 0.379 10.694 337 HB2 PRO 58 HB2 PRO 58 -11.242 -1.265 10.181 338 HB3 PRO 58 HB1 PRO 58 -11.267 0.013 11.407 339 HG2 PRO 58 HG2 PRO 58 -12.172 0.166 8.572 340 HG3 PRO 58 HG1 PRO 58 -13.127 0.563 9.998 341 HD2 PRO 58 HD2 PRO 58 -11.949 2.534 8.726 342 HD3 PRO 58 HD1 PRO 58 -11.726 2.437 10.489 343 H MET 59 HN MET 59 -7.915 -1.282 10.230 344 HA MET 59 HA MET 59 -6.682 -1.759 7.905 345 HB2 MET 59 HB2 MET 59 -6.183 -2.741 10.160 346 HB3 MET 59 HB1 MET 59 -7.394 -3.964 9.830 347 HG2 MET 59 HG2 MET 59 -5.324 -4.961 9.360 348 HG3 MET 59 HG1 MET 59 -6.037 -4.584 7.792 349 HE1 MET 59 HE1 MET 59 -4.503 -1.719 10.088 350 HE2 MET 59 HE2 MET 59 -2.788 -1.978 9.794 351 HE3 MET 59 HE3 MET 59 -3.734 -3.215 10.615 352 H ASN 60 HN ASN 60 -9.800 -3.111 8.769 353 HA ASN 60 HA ASN 60 -9.864 -4.951 6.560 354 HB2 ASN 60 HB2 ASN 60 -12.147 -5.440 7.318 355 HB3 ASN 60 HB1 ASN 60 -10.998 -5.502 8.650 356 HD21 ASN 60 HD21 ASN 60 -13.953 -4.386 7.692 357 HD22 ASN 60 HD22 ASN 60 -14.189 -3.151 8.877 358 H SER 61 HN SER 61 -11.803 -2.123 7.439 359 HA SER 61 HA SER 61 -13.593 -1.685 5.672 360 HB2 SER 61 HB2 SER 61 -12.828 0.007 7.187 361 HB3 SER 61 HB1 SER 61 -11.460 0.400 6.165 362 HG SER 61 HG SER 61 -14.144 1.056 5.983 363 H LEU 62 HN LEU 62 -10.198 -1.449 4.603 364 HA LEU 62 HA LEU 62 -11.192 -0.959 1.895 365 HB2 LEU 62 HB2 LEU 62 -8.314 -0.991 2.705 366 HB3 LEU 62 HB1 LEU 62 -9.046 -0.221 1.317 367 HG LEU 62 HG LEU 62 -9.278 0.680 4.189 368 HD11 LEU 62 HD11 LEU 62 -7.996 2.038 1.832 369 HD12 LEU 62 HD12 LEU 62 -7.108 0.988 2.935 370 HD13 LEU 62 HD13 LEU 62 -7.864 2.463 3.538 371 HD21 LEU 62 HD21 LEU 62 -10.350 2.697 3.074 372 HD22 LEU 62 HD22 LEU 62 -11.337 1.239 3.165 373 HD23 LEU 62 HD23 LEU 62 -10.552 1.678 1.649 374 H ARG 63 HN ARG 63 -8.984 -1.833 0.484 375 HA ARG 63 HA ARG 63 -8.287 -4.557 0.851 376 HB2 ARG 63 HB2 ARG 63 -10.590 -5.015 0.161 377 HB3 ARG 63 HB1 ARG 63 -10.435 -3.909 -1.197 378 HG2 ARG 63 HG2 ARG 63 -8.611 -5.437 -2.059 379 HG3 ARG 63 HG1 ARG 63 -9.134 -6.589 -0.831 380 HD2 ARG 63 HD2 ARG 63 -11.051 -5.399 -2.815 381 HD3 ARG 63 HD1 ARG 63 -10.100 -6.830 -3.191 382 HE ARG 63 HE ARG 63 -11.431 -7.261 -0.767 383 HH11 ARG 63 HH11 ARG 63 -12.140 -6.861 -4.156 384 HH12 ARG 63 HH12 ARG 63 -13.573 -7.833 -4.107 385 HH21 ARG 63 HH21 ARG 63 -13.309 -8.567 -0.695 386 HH22 ARG 63 HH22 ARG 63 -14.237 -8.804 -2.139 387 H PHE 64 HN PHE 64 -6.442 -4.841 -0.379 388 HA PHE 64 HA PHE 64 -5.850 -2.735 -2.355 389 HB2 PHE 64 HB2 PHE 64 -3.858 -4.355 -0.759 390 HB3 PHE 64 HB1 PHE 64 -3.509 -2.980 -1.800 391 HD1 PHE 64 HD1 PHE 64 -5.606 -3.835 1.172 392 HD2 PHE 64 HD2 PHE 64 -3.204 -0.929 -0.812 393 HE1 PHE 64 HE1 PHE 64 -5.903 -2.303 3.088 394 HE2 PHE 64 HE2 PHE 64 -3.493 0.615 1.095 395 HZ PHE 64 HZ PHE 64 -4.847 -0.072 3.050 396 H LEU 65 HN LEU 65 -4.995 -3.272 -4.345 397 HA LEU 65 HA LEU 65 -4.768 -6.147 -4.921 398 HB2 LEU 65 HB2 LEU 65 -5.965 -4.166 -6.824 399 HB3 LEU 65 HB1 LEU 65 -5.930 -5.905 -6.972 400 HG LEU 65 HG LEU 65 -7.593 -4.335 -5.001 401 HD11 LEU 65 HD11 LEU 65 -9.443 -4.941 -6.393 402 HD12 LEU 65 HD12 LEU 65 -8.417 -5.959 -7.404 403 HD13 LEU 65 HD13 LEU 65 -8.214 -4.208 -7.425 404 HD21 LEU 65 HD21 LEU 65 -6.939 -6.487 -4.069 405 HD22 LEU 65 HD22 LEU 65 -7.429 -7.301 -5.556 406 HD23 LEU 65 HD23 LEU 65 -8.639 -6.522 -4.538 407 H PHE 66 HN PHE 66 -3.618 -6.715 -6.848 408 HA PHE 66 HA PHE 66 -1.889 -4.745 -8.096 409 HB2 PHE 66 HB2 PHE 66 -0.577 -5.436 -6.127 410 HB3 PHE 66 HB1 PHE 66 -0.777 -7.125 -6.578 411 HD1 PHE 66 HD1 PHE 66 0.257 -4.002 -8.345 412 HD2 PHE 66 HD2 PHE 66 1.138 -8.062 -7.406 413 HE1 PHE 66 HE1 PHE 66 2.288 -3.876 -9.747 414 HE2 PHE 66 HE2 PHE 66 3.174 -7.956 -8.808 415 HZ PHE 66 HZ PHE 66 3.750 -5.858 -9.983 416 H GLU 67 HN GLU 67 -1.233 -5.434 -10.155 417 HA GLU 67 HA GLU 67 -1.589 -6.514 -12.153 418 HB2 GLU 67 HB2 GLU 67 -1.005 -8.813 -10.279 419 HB3 GLU 67 HB1 GLU 67 -1.204 -9.035 -12.008 420 HG2 GLU 67 HG2 GLU 67 0.710 -7.546 -12.402 421 HG3 GLU 67 HG1 GLU 67 0.916 -7.375 -10.660 422 H GLY 68 HN GLY 68 -3.900 -5.934 -10.452 423 HA2 GLY 68 HA2 GLY 68 -6.179 -6.235 -10.869 424 HA3 GLY 68 HA1 GLY 68 -5.792 -7.676 -11.801 425 H GLN 69 HN GLN 69 -4.338 -9.150 -9.938 426 HA GLN 69 HA GLN 69 -6.505 -10.107 -8.331 427 HB2 GLN 69 HB2 GLN 69 -3.674 -11.059 -8.670 428 HB3 GLN 69 HB1 GLN 69 -4.820 -11.831 -7.579 429 HG2 GLN 69 HG2 GLN 69 -6.352 -12.032 -9.613 430 HG3 GLN 69 HG1 GLN 69 -4.926 -11.638 -10.570 431 HE21 GLN 69 HE21 GLN 69 -6.748 -14.107 -9.545 432 HE22 GLN 69 HE22 GLN 69 -5.577 -15.377 -9.522 433 H ARG 70 HN ARG 70 -6.617 -10.420 -6.151 434 HA ARG 70 HA ARG 70 -6.065 -8.277 -4.529 435 HB2 ARG 70 HB2 ARG 70 -7.749 -10.082 -4.168 436 HB3 ARG 70 HB1 ARG 70 -6.446 -11.111 -3.596 437 HG2 ARG 70 HG2 ARG 70 -6.138 -9.862 -1.673 438 HG3 ARG 70 HG1 ARG 70 -6.972 -8.453 -2.342 439 HD2 ARG 70 HD2 ARG 70 -9.046 -9.894 -2.428 440 HD3 ARG 70 HD1 ARG 70 -8.161 -11.063 -1.447 441 HE ARG 70 HE ARG 70 -7.913 -8.713 -0.091 442 HH11 ARG 70 HH11 ARG 70 -10.600 -10.587 -1.264 443 HH12 ARG 70 HH12 ARG 70 -11.675 -10.077 -0.005 444 HH21 ARG 70 HH21 ARG 70 -9.317 -8.022 1.569 445 HH22 ARG 70 HH22 ARG 70 -10.945 -8.612 1.608 446 H ILE 71 HN ILE 71 -4.890 -8.339 -2.409 447 HA ILE 71 HA ILE 71 -2.189 -9.437 -2.811 448 HB ILE 71 HB ILE 71 -3.034 -6.823 -1.576 449 HG12 ILE 71 HG12 ILE 71 -1.111 -7.565 -3.794 450 HG13 ILE 71 HG11 ILE 71 -2.713 -6.868 -4.009 451 HG21 ILE 71 HG21 ILE 71 -1.416 -7.867 -0.082 452 HG22 ILE 71 HG22 ILE 71 -0.690 -6.499 -0.927 453 HG23 ILE 71 HG23 ILE 71 -0.325 -8.147 -1.439 454 HD11 ILE 71 HD11 ILE 71 -1.170 -5.114 -4.301 455 HD12 ILE 71 HD12 ILE 71 -0.267 -5.565 -2.856 456 HD13 ILE 71 HD13 ILE 71 -1.883 -4.873 -2.707 457 H ALA 72 HN ALA 72 -1.488 -10.799 -1.380 458 HA ALA 72 HA ALA 72 -2.947 -11.683 0.855 459 HB1 ALA 72 HB1 ALA 72 -1.375 -13.135 -0.385 460 HB2 ALA 72 HB2 ALA 72 -1.009 -13.097 1.339 461 HB3 ALA 72 HB3 ALA 72 -0.027 -12.165 0.209 462 H ASP 73 HN ASP 73 -2.410 -11.516 3.070 463 HA ASP 73 HA ASP 73 -1.567 -8.908 3.849 464 HB2 ASP 73 HB2 ASP 73 -3.319 -10.499 4.923 465 HB3 ASP 73 HB1 ASP 73 -1.932 -11.201 5.748 466 H ASN 74 HN ASN 74 0.009 -11.944 3.485 467 HA ASN 74 HA ASN 74 2.349 -11.057 5.028 468 HB2 ASN 74 HB2 ASN 74 1.504 -13.769 4.006 469 HB3 ASN 74 HB1 ASN 74 3.096 -13.457 4.691 470 HD21 ASN 74 HD21 ASN 74 1.435 -11.401 6.391 471 HD22 ASN 74 HD22 ASN 74 0.887 -12.383 7.701 472 H HIS 75 HN HIS 75 1.193 -10.898 1.991 473 HA HIS 75 HA HIS 75 3.158 -11.765 0.257 474 HB2 HIS 75 HB2 HIS 75 0.851 -10.148 0.121 475 HB3 HIS 75 HB1 HIS 75 2.151 -9.204 -0.597 476 HD1 HIS 75 HD1 HIS 75 3.685 -11.050 -2.246 477 HD2 HIS 75 HD2 HIS 75 -0.408 -11.502 -1.861 478 HE1 HIS 75 HE1 HIS 75 2.944 -12.368 -4.264 479 H THR 76 HN THR 76 4.589 -10.303 -1.066 480 HA THR 76 HA THR 76 5.718 -7.900 -0.134 481 HB THR 76 HB THR 76 7.297 -10.420 0.545 482 HG1 THR 76 HG1 THR 76 7.257 -9.472 2.666 483 HG21 THR 76 HG21 THR 76 8.645 -8.570 -0.508 484 HG22 THR 76 HG22 THR 76 9.140 -9.004 1.125 485 HG23 THR 76 HG23 THR 76 8.183 -7.549 0.853 486 HA PRO 77 HA PRO 77 6.946 -8.095 -4.393 487 HB2 PRO 77 HB2 PRO 77 9.512 -6.976 -3.274 488 HB3 PRO 77 HB1 PRO 77 8.655 -6.528 -4.762 489 HG2 PRO 77 HG2 PRO 77 8.290 -4.996 -2.689 490 HG3 PRO 77 HG1 PRO 77 6.841 -5.582 -3.540 491 HD2 PRO 77 HD2 PRO 77 8.076 -6.631 -0.991 492 HD3 PRO 77 HD1 PRO 77 6.365 -6.300 -1.342 493 H LYS 78 HN LYS 78 8.534 -9.612 -1.823 494 HA LYS 78 HA LYS 78 10.578 -11.077 -3.086 495 HB2 LYS 78 HB2 LYS 78 10.343 -10.912 -0.636 496 HB3 LYS 78 HB1 LYS 78 8.806 -11.754 -0.713 497 HG2 LYS 78 HG2 LYS 78 9.996 -13.765 -1.527 498 HG3 LYS 78 HG1 LYS 78 11.524 -12.905 -1.312 499 HD2 LYS 78 HD2 LYS 78 11.098 -12.666 1.061 500 HD3 LYS 78 HD1 LYS 78 9.506 -13.403 0.880 501 HE2 LYS 78 HE2 LYS 78 10.604 -15.484 0.111 502 HE3 LYS 78 HE1 LYS 78 12.171 -14.736 0.412 503 HZ1 LYS 78 HZ1 LYS 78 10.075 -15.245 2.457 504 HZ2 LYS 78 HZ2 LYS 78 11.576 -14.523 2.749 505 HZ3 LYS 78 HZ3 LYS 78 11.498 -16.139 2.257 506 H GLU 79 HN GLU 79 7.159 -11.197 -3.108 507 HA GLU 79 HA GLU 79 7.143 -13.779 -4.505 508 HB2 GLU 79 HB2 GLU 79 4.831 -12.473 -3.073 509 HB3 GLU 79 HB1 GLU 79 4.885 -14.097 -3.738 510 HG2 GLU 79 HG2 GLU 79 6.512 -13.085 -1.422 511 HG3 GLU 79 HG1 GLU 79 5.079 -14.107 -1.318 512 H LEU 80 HN LEU 80 6.037 -10.448 -4.557 513 HA LEU 80 HA LEU 80 4.504 -10.847 -6.984 514 HB2 LEU 80 HB2 LEU 80 4.973 -8.454 -5.243 515 HB3 LEU 80 HB1 LEU 80 4.080 -8.373 -6.749 516 HG LEU 80 HG LEU 80 3.318 -10.099 -4.391 517 HD11 LEU 80 HD11 LEU 80 3.049 -7.741 -3.867 518 HD12 LEU 80 HD12 LEU 80 1.474 -8.492 -4.123 519 HD13 LEU 80 HD13 LEU 80 2.185 -7.483 -5.382 520 HD21 LEU 80 HD21 LEU 80 2.251 -9.668 -7.143 521 HD22 LEU 80 HD22 LEU 80 1.138 -10.038 -5.826 522 HD23 LEU 80 HD23 LEU 80 2.432 -11.165 -6.229 523 H GLY 81 HN GLY 81 7.711 -10.061 -6.288 524 HA2 GLY 81 HA2 GLY 81 9.420 -9.181 -7.561 525 HA3 GLY 81 HA1 GLY 81 8.526 -9.854 -8.920 526 H MET 82 HN MET 82 7.194 -7.393 -6.842 527 HA MET 82 HA MET 82 6.528 -5.697 -8.982 528 HB2 MET 82 HB2 MET 82 6.821 -4.989 -6.054 529 HB3 MET 82 HB1 MET 82 5.938 -4.062 -7.258 530 HG2 MET 82 HG2 MET 82 4.435 -6.031 -7.554 531 HG3 MET 82 HG1 MET 82 5.255 -6.783 -6.189 532 HE1 MET 82 HE1 MET 82 3.607 -5.738 -3.258 533 HE2 MET 82 HE2 MET 82 5.103 -4.832 -3.471 534 HE3 MET 82 HE3 MET 82 4.989 -6.495 -4.050 535 H GLU 83 HN GLU 83 7.883 -4.501 -10.180 536 HA GLU 83 HA GLU 83 10.565 -3.912 -9.343 537 HB2 GLU 83 HB2 GLU 83 8.979 -3.716 -11.759 538 HB3 GLU 83 HB1 GLU 83 9.879 -2.233 -11.499 539 HG2 GLU 83 HG2 GLU 83 11.986 -3.494 -11.431 540 HG3 GLU 83 HG1 GLU 83 11.105 -5.006 -11.615 541 H GLU 84 HN GLU 84 10.592 -1.158 -10.438 542 HA GLU 84 HA GLU 84 9.510 0.190 -8.060 543 HB2 GLU 84 HB2 GLU 84 11.172 1.436 -10.261 544 HB3 GLU 84 HB1 GLU 84 10.919 2.044 -8.636 545 HG2 GLU 84 HG2 GLU 84 13.050 1.264 -8.463 546 HG3 GLU 84 HG1 GLU 84 12.156 -0.165 -7.954 547 H GLU 85 HN GLU 85 8.475 2.382 -8.572 548 HA GLU 85 HA GLU 85 6.893 3.656 -9.592 549 HB2 GLU 85 HB2 GLU 85 8.451 3.579 -11.508 550 HB3 GLU 85 HB1 GLU 85 7.645 2.131 -12.088 551 HG2 GLU 85 HG2 GLU 85 6.883 4.006 -13.352 552 HG3 GLU 85 HG1 GLU 85 5.563 3.442 -12.329 553 H ASP 86 HN ASP 86 6.576 0.412 -9.163 554 HA ASP 86 HA ASP 86 4.365 -0.420 -10.561 555 HB2 ASP 86 HB2 ASP 86 5.561 -1.100 -7.964 556 HB3 ASP 86 HB1 ASP 86 3.849 -1.485 -8.099 557 H VAL 87 HN VAL 87 2.164 -0.872 -9.469 558 HA VAL 87 HA VAL 87 1.187 1.506 -8.053 559 HB VAL 87 HB VAL 87 -0.023 0.371 -10.590 560 HG11 VAL 87 HG11 VAL 87 -1.769 0.868 -8.949 561 HG12 VAL 87 HG12 VAL 87 -1.803 2.027 -10.278 562 HG13 VAL 87 HG13 VAL 87 -1.104 2.486 -8.724 563 HG21 VAL 87 HG21 VAL 87 1.855 1.944 -10.885 564 HG22 VAL 87 HG22 VAL 87 0.983 3.139 -9.926 565 HG23 VAL 87 HG23 VAL 87 0.330 2.604 -11.475 566 H ILE 88 HN ILE 88 -0.579 1.154 -6.741 567 HA ILE 88 HA ILE 88 -1.656 -1.587 -6.617 568 HB ILE 88 HB ILE 88 -0.864 0.138 -4.236 569 HG12 ILE 88 HG12 ILE 88 0.055 -2.584 -5.201 570 HG13 ILE 88 HG11 ILE 88 1.018 -1.112 -5.151 571 HG21 ILE 88 HG21 ILE 88 -2.305 -2.520 -4.312 572 HG22 ILE 88 HG22 ILE 88 -3.030 -0.970 -3.881 573 HG23 ILE 88 HG23 ILE 88 -1.776 -1.674 -2.858 574 HD11 ILE 88 HD11 ILE 88 -0.053 -2.611 -2.764 575 HD12 ILE 88 HD12 ILE 88 0.889 -1.121 -2.701 576 HD13 ILE 88 HD13 ILE 88 1.617 -2.599 -3.330 577 H GLU 89 HN GLU 89 -3.833 -1.643 -6.378 578 HA GLU 89 HA GLU 89 -5.241 0.941 -6.314 579 HB2 GLU 89 HB2 GLU 89 -5.563 -1.469 -7.866 580 HB3 GLU 89 HB1 GLU 89 -7.001 -1.177 -6.914 581 HG2 GLU 89 HG2 GLU 89 -7.471 -0.110 -8.903 582 HG3 GLU 89 HG1 GLU 89 -6.921 1.200 -7.859 583 H VAL 90 HN VAL 90 -6.821 1.302 -4.775 584 HA VAL 90 HA VAL 90 -7.210 -0.833 -2.757 585 HB VAL 90 HB VAL 90 -7.395 2.148 -2.194 586 HG11 VAL 90 HG11 VAL 90 -7.161 1.336 0.168 587 HG12 VAL 90 HG12 VAL 90 -7.291 -0.313 -0.444 588 HG13 VAL 90 HG13 VAL 90 -8.639 0.810 -0.638 589 HG21 VAL 90 HG21 VAL 90 -5.073 0.309 -1.638 590 HG22 VAL 90 HG22 VAL 90 -5.216 1.987 -1.113 591 HG23 VAL 90 HG23 VAL 90 -5.099 1.607 -2.831 592 H TYR 91 HN TYR 91 -9.331 -1.326 -2.391 593 HA TYR 91 HA TYR 91 -11.335 0.494 -3.553 594 HB2 TYR 91 HB2 TYR 91 -11.337 -2.530 -3.593 595 HB3 TYR 91 HB1 TYR 91 -12.698 -1.527 -4.079 596 HD1 TYR 91 HD1 TYR 91 -9.146 -2.283 -4.894 597 HD2 TYR 91 HD2 TYR 91 -12.870 -0.734 -6.272 598 HE1 TYR 91 HE1 TYR 91 -8.261 -2.211 -7.199 599 HE2 TYR 91 HE2 TYR 91 -11.987 -0.642 -8.580 600 HH TYR 91 HH TYR 91 -9.733 -0.493 -9.694 601 H GLN 92 HN GLN 92 -13.057 0.945 -2.301 602 HA GLN 92 HA GLN 92 -13.006 0.489 0.474 603 HB2 GLN 92 HB2 GLN 92 -14.275 2.341 -0.415 604 HB3 GLN 92 HB1 GLN 92 -15.201 1.283 -1.461 605 HG2 GLN 92 HG2 GLN 92 -16.573 2.078 0.339 606 HG3 GLN 92 HG1 GLN 92 -16.325 0.344 0.502 607 HE21 GLN 92 HE21 GLN 92 -16.856 0.407 2.681 608 HE22 GLN 92 HE22 GLN 92 -15.780 1.047 3.871 609 H GLU 93 HN GLU 93 -13.797 -1.261 1.654 610 HA GLU 93 HA GLU 93 -14.484 -3.603 0.122 611 HB2 GLU 93 HB2 GLU 93 -13.064 -3.553 2.266 612 HB3 GLU 93 HB1 GLU 93 -14.596 -3.418 3.126 613 HG2 GLU 93 HG2 GLU 93 -13.828 -5.732 3.028 614 HG3 GLU 93 HG1 GLU 93 -15.350 -5.521 2.163 615 H GLN 94 HN GLN 94 -16.379 -4.682 0.074 616 HA GLN 94 HA GLN 94 -18.742 -3.649 1.429 617 HB2 GLN 94 HB2 GLN 94 -19.942 -3.341 -0.698 618 HB3 GLN 94 HB1 GLN 94 -18.541 -2.273 -0.612 619 HG2 GLN 94 HG2 GLN 94 -17.266 -4.023 -1.888 620 HG3 GLN 94 HG1 GLN 94 -18.805 -4.839 -2.150 621 HE21 GLN 94 HE21 GLN 94 -19.862 -4.342 -3.906 622 HE22 GLN 94 HE22 GLN 94 -19.647 -2.913 -4.852 623 H THR 95 HN THR 95 -20.672 -5.010 0.680 624 HA THR 95 HA THR 95 -20.023 -7.712 -0.242 625 HB THR 95 HB THR 95 -21.230 -8.768 1.613 626 HG1 THR 95 HG1 THR 95 -22.647 -7.090 2.175 627 HG21 THR 95 HG21 THR 95 -19.662 -8.318 3.457 628 HG22 THR 95 HG22 THR 95 -19.106 -6.866 2.626 629 HG23 THR 95 HG23 THR 95 -18.818 -8.453 1.914 630 H GLY 96 HN GLY 96 -22.141 -8.925 -0.619 631 HA2 GLY 96 HA2 GLY 96 -23.911 -7.298 -2.126 632 HA3 GLY 96 HA1 GLY 96 -24.167 -8.991 -1.720 633 H GLY 97 HN GLY 97 -26.433 -8.120 -1.610 634 HA2 GLY 97 HA2 GLY 97 -27.130 -7.647 1.182 635 HA3 GLY 97 HA1 GLY 97 -27.615 -6.379 0.054 636 H1 ASP2705 HT1 ASP2705 15.387 -9.209 11.288 637 H2 ASP2705 HT2 ASP2705 15.259 -8.429 9.794 638 H3 ASP2705 HT3 ASP2705 15.027 -10.101 9.896 639 HA ASP2705 HA ASP2705 12.932 -8.931 9.659 640 HB2 ASP2705 HB2 ASP2705 13.389 -10.254 12.342 641 HB3 ASP2705 HB1 ASP2705 11.804 -9.941 11.640 642 H ASN2706 HN ASN2706 14.934 -7.832 12.305 643 HA ASN2706 HA ASN2706 12.975 -5.795 13.062 644 HB2 ASN2706 HB2 ASN2706 14.351 -7.190 14.740 645 HB3 ASN2706 HB1 ASN2706 15.709 -6.169 14.280 646 HD21 ASN2706 HD21 ASN2706 15.909 -5.269 16.304 647 HD22 ASN2706 HD22 ASN2706 14.766 -4.144 16.944 648 H GLU2707 HN GLU2707 15.301 -6.157 10.791 649 HA GLU2707 HA GLU2707 16.379 -3.452 10.945 650 HB2 GLU2707 HB2 GLU2707 16.984 -5.581 8.887 651 HB3 GLU2707 HB1 GLU2707 17.902 -4.117 9.199 652 HG2 GLU2707 HG2 GLU2707 19.202 -5.648 10.272 653 HG3 GLU2707 HG1 GLU2707 18.146 -5.159 11.596 654 H ILE2708 HN ILE2708 13.544 -4.473 10.029 655 HA ILE2708 HA ILE2708 13.306 -3.614 7.316 656 HB ILE2708 HB ILE2708 10.832 -3.638 7.796 657 HG12 ILE2708 HG12 ILE2708 11.681 -4.784 10.462 658 HG13 ILE2708 HG11 ILE2708 11.108 -3.133 10.251 659 HG21 ILE2708 HG21 ILE2708 12.412 -6.111 8.490 660 HG22 ILE2708 HG22 ILE2708 11.980 -5.569 6.869 661 HG23 ILE2708 HG23 ILE2708 10.721 -6.083 7.992 662 HD11 ILE2708 HD11 ILE2708 9.352 -4.603 11.073 663 HD12 ILE2708 HD12 ILE2708 9.538 -5.630 9.650 664 HD13 ILE2708 HD13 ILE2708 8.961 -3.972 9.473 665 H GLU2709 HN GLU2709 12.472 -1.696 6.477 666 HA GLU2709 HA GLU2709 11.743 0.454 8.277 667 HB2 GLU2709 HB2 GLU2709 14.206 0.583 8.185 668 HB3 GLU2709 HB1 GLU2709 14.124 0.727 6.435 669 HG2 GLU2709 HG2 GLU2709 14.491 2.888 7.458 670 HG3 GLU2709 HG1 GLU2709 12.919 2.840 6.665 671 H VAL2710 HN VAL2710 10.186 1.647 7.440 672 HA VAL2710 HA VAL2710 10.015 2.060 4.565 673 HB VAL2710 HB VAL2710 8.635 0.130 4.753 674 HG11 VAL2710 HG11 VAL2710 7.239 1.485 7.055 675 HG12 VAL2710 HG12 VAL2710 8.298 0.077 7.148 676 HG13 VAL2710 HG13 VAL2710 6.747 -0.039 6.317 677 HG21 VAL2710 HG21 VAL2710 6.414 0.984 4.132 678 HG22 VAL2710 HG22 VAL2710 7.715 1.869 3.335 679 HG23 VAL2710 HG23 VAL2710 6.878 2.582 4.715 680 H ILE2711 HN ILE2711 9.930 4.181 4.331 681 HA ILE2711 HA ILE2711 8.472 5.791 6.327 682 HB ILE2711 HB ILE2711 10.664 6.712 4.457 683 HG12 ILE2711 HG12 ILE2711 10.840 6.238 7.439 684 HG13 ILE2711 HG11 ILE2711 11.391 5.079 6.235 685 HG21 ILE2711 HG21 ILE2711 10.684 8.728 5.861 686 HG22 ILE2711 HG22 ILE2711 9.320 8.093 6.781 687 HG23 ILE2711 HG23 ILE2711 9.124 8.490 5.074 688 HD11 ILE2711 HD11 ILE2711 13.007 6.705 5.407 689 HD12 ILE2711 HD12 ILE2711 13.234 6.380 7.125 690 HD13 ILE2711 HD13 ILE2711 12.450 7.871 6.606 691 H ILE2712 HN ILE2712 6.570 6.538 5.645 692 HA ILE2712 HA ILE2712 6.278 7.248 2.799 693 HB ILE2712 HB ILE2712 4.022 6.459 2.752 694 HG12 ILE2712 HG12 ILE2712 4.123 5.205 5.447 695 HG13 ILE2712 HG11 ILE2712 3.856 6.944 5.384 696 HG21 ILE2712 HG21 ILE2712 4.335 4.073 2.983 697 HG22 ILE2712 HG22 ILE2712 5.736 4.332 4.023 698 HG23 ILE2712 HG23 ILE2712 5.796 4.814 2.329 699 HD11 ILE2712 HD11 ILE2712 1.746 5.822 5.470 700 HD12 ILE2712 HD12 ILE2712 2.176 4.813 4.088 701 HD13 ILE2712 HD13 ILE2712 1.941 6.549 3.875 702 H VAL2713 HN VAL2713 5.495 9.156 2.361 703 HA VAL2713 HA VAL2713 3.734 10.547 3.961 704 HB VAL2713 HB VAL2713 5.410 12.634 3.919 705 HG11 VAL2713 HG11 VAL2713 5.245 10.597 6.132 706 HG12 VAL2713 HG12 VAL2713 4.158 11.958 5.866 707 HG13 VAL2713 HG13 VAL2713 5.838 12.249 6.310 708 HG21 VAL2713 HG21 VAL2713 7.300 11.389 3.059 709 HG22 VAL2713 HG22 VAL2713 7.203 10.259 4.410 710 HG23 VAL2713 HG23 VAL2713 7.634 11.945 4.699 711 H TRP2714 HN TRP2714 2.423 11.230 2.505 712 HA TRP2714 HA TRP2714 3.346 12.020 -0.132 713 HB2 TRP2714 HB2 TRP2714 1.287 10.576 0.300 714 HB3 TRP2714 HB1 TRP2714 0.506 12.039 0.873 715 HD1 TRP2714 HD1 TRP2714 2.545 11.232 -2.355 716 HE1 TRP2714 HE1 TRP2714 1.248 12.202 -4.354 717 HE3 TRP2714 HE3 TRP2714 -1.444 13.167 0.150 718 HZ2 TRP2714 HZ2 TRP2714 -1.155 13.613 -4.804 719 HZ3 TRP2714 HZ3 TRP2714 -3.199 14.303 -1.132 720 HH2 TRP2714 HH2 TRP2714 -3.060 14.534 -3.544 721 H GLU2715 HN GLU2715 2.188 13.965 -1.105 722 HA GLU2715 HA GLU2715 1.762 16.084 0.824 723 HB2 GLU2715 HB2 GLU2715 3.866 16.033 -1.281 724 HB3 GLU2715 HB1 GLU2715 3.039 17.558 -1.003 725 HG2 GLU2715 HG2 GLU2715 4.384 15.980 1.175 726 HG3 GLU2715 HG1 GLU2715 5.184 17.250 0.249 727 H LYS2716 HN LYS2716 0.032 17.347 0.311 728 HA LYS2716 HA LYS2716 -1.483 16.646 -2.042 729 HB2 LYS2716 HB2 LYS2716 -1.983 18.183 0.437 730 HB3 LYS2716 HB1 LYS2716 -2.916 18.657 -0.976 731 HG2 LYS2716 HG2 LYS2716 -2.761 15.788 -0.155 732 HG3 LYS2716 HG1 LYS2716 -3.883 16.891 0.642 733 HD2 LYS2716 HD2 LYS2716 -3.771 16.519 -2.349 734 HD3 LYS2716 HD1 LYS2716 -4.818 15.552 -1.304 735 HE2 LYS2716 HE2 LYS2716 -5.752 17.750 -0.445 736 HE3 LYS2716 HE1 LYS2716 -4.880 18.536 -1.760 737 HZ1 LYS2716 HZ1 LYS2716 -6.189 16.580 -3.050 738 HZ2 LYS2716 HZ2 LYS2716 -6.756 18.166 -2.896 739 HZ3 LYS2716 HZ3 LYS2716 -7.302 16.966 -1.835 740 H LYS2717 HN LYS2717 -2.317 18.169 -3.566 741 HA LYS2717 HA LYS2717 -0.427 20.356 -4.103 742 HB2 LYS2717 HB2 LYS2717 -1.148 18.244 -5.717 743 HB3 LYS2717 HB1 LYS2717 -2.196 19.530 -6.294 744 HG2 LYS2717 HG2 LYS2717 0.799 19.759 -6.058 745 HG3 LYS2717 HG1 LYS2717 -0.060 19.325 -7.536 746 HD2 LYS2717 HD2 LYS2717 -0.007 21.535 -7.950 747 HD3 LYS2717 HD1 LYS2717 -1.357 21.608 -6.816 748 HE2 LYS2717 HE2 LYS2717 0.293 21.982 -4.986 749 HE3 LYS2717 HE1 LYS2717 1.560 22.070 -6.207 750 HZ1 LYS2717 HZ1 LYS2717 0.778 24.264 -5.557 751 HZ2 LYS2717 HZ2 LYS2717 -0.795 23.872 -6.037 752 HZ3 LYS2717 HZ3 LYS2717 0.441 23.966 -7.187 Start of MODEL 6 1 H1 GLU 20 HT1 GLU 20 15.915 0.209 -3.957 2 H2 GLU 20 HT2 GLU 20 15.340 -1.378 -3.853 3 H3 GLU 20 HT3 GLU 20 16.988 -1.061 -3.641 4 HA GLU 20 HA GLU 20 15.928 -1.489 -1.534 5 HB2 GLU 20 HB2 GLU 20 16.834 1.351 -2.016 6 HB3 GLU 20 HB1 GLU 20 16.553 0.687 -0.412 7 HG2 GLU 20 HG2 GLU 20 18.565 -0.294 -2.424 8 HG3 GLU 20 HG1 GLU 20 18.905 0.621 -0.955 9 H TYR 21 HN TYR 21 14.535 1.332 -3.186 10 HA TYR 21 HA TYR 21 12.062 0.871 -1.667 11 HB2 TYR 21 HB2 TYR 21 13.517 3.472 -2.067 12 HB3 TYR 21 HB1 TYR 21 11.781 3.441 -1.782 13 HD1 TYR 21 HD1 TYR 21 10.899 2.598 0.367 14 HD2 TYR 21 HD2 TYR 21 15.073 3.067 -0.295 15 HE1 TYR 21 HE1 TYR 21 11.288 2.486 2.791 16 HE2 TYR 21 HE2 TYR 21 15.476 2.955 2.127 17 HH TYR 21 HH TYR 21 13.041 1.998 4.352 18 H ILE 22 HN ILE 22 10.212 0.990 -2.808 19 HA ILE 22 HA ILE 22 10.437 1.696 -5.660 20 HB ILE 22 HB ILE 22 8.379 0.207 -5.920 21 HG12 ILE 22 HG12 ILE 22 9.336 -0.898 -3.271 22 HG13 ILE 22 HG11 ILE 22 7.907 0.114 -3.453 23 HG21 ILE 22 HG21 ILE 22 9.739 -1.840 -6.042 24 HG22 ILE 22 HG22 ILE 22 11.011 -1.031 -5.127 25 HG23 ILE 22 HG23 ILE 22 10.567 -0.443 -6.730 26 HD11 ILE 22 HD11 ILE 22 6.885 -1.567 -4.876 27 HD12 ILE 22 HD12 ILE 22 7.337 -2.249 -3.314 28 HD13 ILE 22 HD13 ILE 22 8.326 -2.573 -4.739 29 H LYS 23 HN LYS 23 8.787 2.919 -6.614 30 HA LYS 23 HA LYS 23 7.312 4.576 -4.730 31 HB2 LYS 23 HB2 LYS 23 8.625 5.592 -6.600 32 HB3 LYS 23 HB1 LYS 23 7.501 4.854 -7.734 33 HG2 LYS 23 HG2 LYS 23 5.669 6.113 -6.496 34 HG3 LYS 23 HG1 LYS 23 6.970 7.029 -5.735 35 HD2 LYS 23 HD2 LYS 23 6.562 6.779 -8.714 36 HD3 LYS 23 HD1 LYS 23 6.010 8.139 -7.738 37 HE2 LYS 23 HE2 LYS 23 8.309 8.631 -7.102 38 HE3 LYS 23 HE1 LYS 23 8.876 7.244 -8.031 39 HZ1 LYS 23 HZ1 LYS 23 8.026 8.297 -10.039 40 HZ2 LYS 23 HZ2 LYS 23 9.155 9.293 -9.268 41 HZ3 LYS 23 HZ3 LYS 23 7.503 9.633 -9.142 42 H LEU 24 HN LEU 24 5.457 3.719 -4.060 43 HA LEU 24 HA LEU 24 3.666 2.521 -6.065 44 HB2 LEU 24 HB2 LEU 24 3.780 2.131 -3.072 45 HB3 LEU 24 HB1 LEU 24 2.542 1.451 -4.110 46 HG LEU 24 HG LEU 24 5.485 0.829 -4.365 47 HD11 LEU 24 HD11 LEU 24 4.647 0.021 -2.233 48 HD12 LEU 24 HD12 LEU 24 4.932 -1.324 -3.339 49 HD13 LEU 24 HD13 LEU 24 3.288 -0.757 -3.044 50 HD21 LEU 24 HD21 LEU 24 4.314 0.506 -6.437 51 HD22 LEU 24 HD22 LEU 24 3.019 -0.367 -5.619 52 HD23 LEU 24 HD23 LEU 24 4.633 -1.072 -5.716 53 H LYS 25 HN LYS 25 2.264 3.997 -6.764 54 HA LYS 25 HA LYS 25 1.438 6.202 -5.103 55 HB2 LYS 25 HB2 LYS 25 0.883 5.368 -7.928 56 HB3 LYS 25 HB1 LYS 25 -0.085 6.625 -7.171 57 HG2 LYS 25 HG2 LYS 25 2.045 7.842 -6.678 58 HG3 LYS 25 HG1 LYS 25 2.878 6.646 -7.674 59 HD2 LYS 25 HD2 LYS 25 1.594 7.275 -9.602 60 HD3 LYS 25 HD1 LYS 25 0.572 8.335 -8.631 61 HE2 LYS 25 HE2 LYS 25 2.532 9.730 -8.127 62 HE3 LYS 25 HE1 LYS 25 3.523 8.684 -9.142 63 HZ1 LYS 25 HZ1 LYS 25 2.149 9.282 -11.036 64 HZ2 LYS 25 HZ2 LYS 25 2.827 10.663 -10.332 65 HZ3 LYS 25 HZ3 LYS 25 1.200 10.288 -10.062 66 H VAL 26 HN VAL 26 0.107 5.676 -3.478 67 HA VAL 26 HA VAL 26 -2.120 3.854 -3.957 68 HB VAL 26 HB VAL 26 -1.355 5.224 -1.372 69 HG11 VAL 26 HG11 VAL 26 -3.659 4.452 -1.427 70 HG12 VAL 26 HG12 VAL 26 -2.700 3.450 -0.336 71 HG13 VAL 26 HG13 VAL 26 -3.127 2.850 -1.939 72 HG21 VAL 26 HG21 VAL 26 -0.294 3.107 -0.747 73 HG22 VAL 26 HG22 VAL 26 0.480 3.821 -2.161 74 HG23 VAL 26 HG23 VAL 26 -0.629 2.464 -2.354 75 H ILE 27 HN ILE 27 -3.658 4.878 -5.083 76 HA ILE 27 HA ILE 27 -4.501 7.562 -4.273 77 HB ILE 27 HB ILE 27 -5.032 5.952 -6.764 78 HG12 ILE 27 HG12 ILE 27 -3.583 8.557 -6.242 79 HG13 ILE 27 HG11 ILE 27 -2.828 7.014 -6.623 80 HG21 ILE 27 HG21 ILE 27 -6.098 8.670 -6.016 81 HG22 ILE 27 HG22 ILE 27 -7.044 7.186 -6.128 82 HG23 ILE 27 HG23 ILE 27 -6.300 7.870 -7.574 83 HD11 ILE 27 HD11 ILE 27 -2.862 8.471 -8.557 84 HD12 ILE 27 HD12 ILE 27 -4.617 8.606 -8.444 85 HD13 ILE 27 HD13 ILE 27 -3.876 7.053 -8.830 86 H GLY 28 HN GLY 28 -6.191 7.755 -2.995 87 HA2 GLY 28 HA2 GLY 28 -7.942 5.532 -2.467 88 HA3 GLY 28 HA1 GLY 28 -8.022 7.123 -1.730 89 H GLN 29 HN GLN 29 -10.377 6.767 -2.001 90 HA GLN 29 HA GLN 29 -11.216 7.396 -4.752 91 HB2 GLN 29 HB2 GLN 29 -11.961 5.203 -3.414 92 HB3 GLN 29 HB1 GLN 29 -13.200 6.311 -2.829 93 HG2 GLN 29 HG2 GLN 29 -13.819 4.983 -4.852 94 HG3 GLN 29 HG1 GLN 29 -13.982 6.733 -5.021 95 HE21 GLN 29 HE21 GLN 29 -13.086 7.640 -6.733 96 HE22 GLN 29 HE22 GLN 29 -11.873 6.932 -7.740 97 H ASP 30 HN ASP 30 -10.377 9.449 -3.192 98 HA ASP 30 HA ASP 30 -12.646 11.165 -3.193 99 HB2 ASP 30 HB2 ASP 30 -12.388 11.803 -0.732 100 HB3 ASP 30 HB1 ASP 30 -13.187 10.270 -1.061 101 H SER 31 HN SER 31 -9.961 10.866 -4.268 102 HA SER 31 HA SER 31 -8.317 12.213 -5.014 103 HB2 SER 31 HB2 SER 31 -9.972 14.023 -5.001 104 HB3 SER 31 HB1 SER 31 -9.593 14.359 -3.311 105 HG SER 31 HG SER 31 -7.301 14.477 -4.351 106 H SER 32 HN SER 32 -8.384 10.861 -2.216 107 HA SER 32 HA SER 32 -6.265 12.264 -0.818 108 HB2 SER 32 HB2 SER 32 -7.940 11.164 0.544 109 HB3 SER 32 HB1 SER 32 -7.694 9.639 -0.307 110 HG SER 32 HG SER 32 -5.357 10.499 0.671 111 H GLU 33 HN GLU 33 -4.351 12.159 -1.974 112 HA GLU 33 HA GLU 33 -3.530 9.459 -2.855 113 HB2 GLU 33 HB2 GLU 33 -3.694 11.197 -4.641 114 HB3 GLU 33 HB1 GLU 33 -2.448 12.118 -3.810 115 HG2 GLU 33 HG2 GLU 33 -0.867 10.287 -4.133 116 HG3 GLU 33 HG1 GLU 33 -2.116 9.350 -4.949 117 H ILE 34 HN ILE 34 -1.529 8.646 -2.265 118 HA ILE 34 HA ILE 34 0.178 10.292 -0.569 119 HB ILE 34 HB ILE 34 -0.767 7.559 0.334 120 HG12 ILE 34 HG12 ILE 34 -1.406 10.300 1.458 121 HG13 ILE 34 HG11 ILE 34 -2.534 9.250 0.607 122 HG21 ILE 34 HG21 ILE 34 0.482 8.032 2.376 123 HG22 ILE 34 HG22 ILE 34 1.010 9.577 1.708 124 HG23 ILE 34 HG23 ILE 34 1.540 8.066 0.967 125 HD11 ILE 34 HD11 ILE 34 -1.245 8.720 3.272 126 HD12 ILE 34 HD12 ILE 34 -2.285 7.588 2.411 127 HD13 ILE 34 HD13 ILE 34 -2.933 9.130 2.970 128 H HIS 35 HN HIS 35 2.344 9.932 -0.957 129 HA HIS 35 HA HIS 35 2.981 7.815 -2.858 130 HB2 HIS 35 HB2 HIS 35 4.443 10.194 -1.787 131 HB3 HIS 35 HB1 HIS 35 5.375 8.866 -2.470 132 HD1 HIS 35 HD1 HIS 35 5.568 11.487 -3.933 133 HD2 HIS 35 HD2 HIS 35 2.608 8.683 -4.735 134 HE1 HIS 35 HE1 HIS 35 4.760 11.957 -6.284 135 H PHE 36 HN PHE 36 3.607 5.882 -2.275 136 HA PHE 36 HA PHE 36 4.543 5.454 0.471 137 HB2 PHE 36 HB2 PHE 36 2.934 3.878 -1.443 138 HB3 PHE 36 HB1 PHE 36 4.054 2.960 -0.445 139 HD1 PHE 36 HD2 PHE 36 1.727 5.835 0.110 140 HD2 PHE 36 HD1 PHE 36 3.062 1.992 1.360 141 HE1 PHE 36 HE2 PHE 36 0.109 5.877 1.963 142 HE2 PHE 36 HE1 PHE 36 1.446 2.027 3.211 143 HZ PHE 36 HZ PHE 36 -0.031 3.971 3.515 144 H LYS 37 HN LYS 37 6.502 4.723 0.906 145 HA LYS 37 HA LYS 37 8.132 3.586 -1.270 146 HB2 LYS 37 HB2 LYS 37 9.057 5.426 0.956 147 HB3 LYS 37 HB1 LYS 37 10.118 4.626 -0.195 148 HG2 LYS 37 HG2 LYS 37 9.123 5.866 -2.020 149 HG3 LYS 37 HG1 LYS 37 7.980 6.621 -0.907 150 HD2 LYS 37 HD2 LYS 37 9.871 7.635 0.306 151 HD3 LYS 37 HD1 LYS 37 10.983 6.922 -0.867 152 HE2 LYS 37 HE2 LYS 37 9.922 8.190 -2.657 153 HE3 LYS 37 HE1 LYS 37 8.778 8.879 -1.506 154 HZ1 LYS 37 HZ1 LYS 37 11.720 9.275 -1.480 155 HZ2 LYS 37 HZ2 LYS 37 10.638 9.918 -0.350 156 HZ3 LYS 37 HZ3 LYS 37 10.569 10.417 -1.965 157 H VAL 38 HN VAL 38 8.248 1.481 -0.804 158 HA VAL 38 HA VAL 38 8.553 0.682 2.015 159 HB VAL 38 HB VAL 38 7.418 -0.929 -0.279 160 HG11 VAL 38 HG11 VAL 38 6.756 -2.549 1.426 161 HG12 VAL 38 HG12 VAL 38 7.567 -1.587 2.660 162 HG13 VAL 38 HG13 VAL 38 8.507 -2.350 1.378 163 HG21 VAL 38 HG21 VAL 38 5.958 0.916 0.414 164 HG22 VAL 38 HG22 VAL 38 6.011 0.324 2.074 165 HG23 VAL 38 HG23 VAL 38 5.266 -0.656 0.811 166 H LYS 39 HN LYS 39 10.220 -0.596 2.629 167 HA LYS 39 HA LYS 39 12.499 -0.818 0.978 168 HB2 LYS 39 HB2 LYS 39 11.812 -1.341 3.708 169 HB3 LYS 39 HB1 LYS 39 12.665 -2.737 3.065 170 HG2 LYS 39 HG2 LYS 39 14.526 -1.331 2.402 171 HG3 LYS 39 HG1 LYS 39 13.665 0.101 2.970 172 HD2 LYS 39 HD2 LYS 39 13.657 -0.817 5.246 173 HD3 LYS 39 HD1 LYS 39 14.540 -2.233 4.671 174 HE2 LYS 39 HE2 LYS 39 16.413 -0.815 4.023 175 HE3 LYS 39 HE1 LYS 39 15.524 0.616 4.545 176 HZ1 LYS 39 HZ1 LYS 39 15.551 -0.203 6.799 177 HZ2 LYS 39 HZ2 LYS 39 17.134 -0.144 6.205 178 HZ3 LYS 39 HZ3 LYS 39 16.328 -1.628 6.318 179 H MET 40 HN MET 40 13.536 -2.746 0.198 180 HA MET 40 HA MET 40 11.681 -4.548 -1.059 181 HB2 MET 40 HB2 MET 40 14.696 -4.383 -1.116 182 HB3 MET 40 HB1 MET 40 13.757 -5.524 -2.069 183 HG2 MET 40 HG2 MET 40 13.146 -2.617 -2.269 184 HG3 MET 40 HG1 MET 40 14.564 -3.262 -3.095 185 HE1 MET 40 HE1 MET 40 13.157 -5.599 -5.767 186 HE2 MET 40 HE2 MET 40 13.840 -6.052 -4.206 187 HE3 MET 40 HE3 MET 40 14.554 -4.731 -5.131 188 H THR 41 HN THR 41 12.788 -4.529 1.976 189 HA THR 41 HA THR 41 13.106 -7.451 2.149 190 HB THR 41 HB THR 41 13.951 -6.856 4.524 191 HG1 THR 41 HG1 THR 41 14.708 -4.408 3.363 192 HG21 THR 41 HG21 THR 41 15.393 -7.738 2.765 193 HG22 THR 41 HG22 THR 41 16.230 -6.486 3.682 194 HG23 THR 41 HG23 THR 41 15.575 -6.121 2.086 195 H THR 42 HN THR 42 10.668 -5.435 2.233 196 HA THR 42 HA THR 42 9.381 -6.743 4.540 197 HB THR 42 HB THR 42 8.084 -4.255 3.816 198 HG1 THR 42 HG1 THR 42 10.862 -4.233 4.275 199 HG21 THR 42 HG21 THR 42 9.412 -5.201 6.359 200 HG22 THR 42 HG22 THR 42 7.728 -5.471 5.912 201 HG23 THR 42 HG23 THR 42 8.308 -3.834 6.219 202 H HIS 43 HN HIS 43 7.176 -7.273 4.325 203 HA HIS 43 HA HIS 43 6.390 -7.896 1.611 204 HB2 HIS 43 HB2 HIS 43 5.133 -8.519 4.289 205 HB3 HIS 43 HB1 HIS 43 4.441 -9.021 2.752 206 HD1 HIS 43 HD1 HIS 43 7.468 -9.646 4.942 207 HD2 HIS 43 HD2 HIS 43 5.536 -11.256 1.636 208 HE1 HIS 43 HE1 HIS 43 8.568 -11.877 4.495 209 H LEU 44 HN LEU 44 3.899 -7.647 1.187 210 HA LEU 44 HA LEU 44 3.383 -4.819 1.205 211 HB2 LEU 44 HB2 LEU 44 1.920 -7.182 0.073 212 HB3 LEU 44 HB1 LEU 44 1.229 -5.571 0.039 213 HG LEU 44 HG LEU 44 3.803 -6.426 -1.278 214 HD11 LEU 44 HD11 LEU 44 2.679 -6.590 -3.234 215 HD12 LEU 44 HD12 LEU 44 1.504 -5.352 -2.791 216 HD13 LEU 44 HD13 LEU 44 1.347 -6.986 -2.150 217 HD21 LEU 44 HD21 LEU 44 4.050 -4.157 -0.580 218 HD22 LEU 44 HD22 LEU 44 2.430 -3.750 -1.141 219 HD23 LEU 44 HD23 LEU 44 3.692 -4.149 -2.306 220 H LYS 45 HN LYS 45 2.757 -7.287 3.371 221 HA LYS 45 HA LYS 45 0.172 -6.560 4.273 222 HB2 LYS 45 HB2 LYS 45 1.351 -8.729 4.784 223 HB3 LYS 45 HB1 LYS 45 2.361 -7.839 5.917 224 HG2 LYS 45 HG2 LYS 45 0.459 -7.277 7.263 225 HG3 LYS 45 HG1 LYS 45 -0.641 -7.976 6.074 226 HD2 LYS 45 HD2 LYS 45 0.353 -10.182 6.469 227 HD3 LYS 45 HD1 LYS 45 1.433 -9.474 7.673 228 HE2 LYS 45 HE2 LYS 45 -0.449 -8.849 9.050 229 HE3 LYS 45 HE1 LYS 45 -1.577 -9.411 7.818 230 HZ1 LYS 45 HZ1 LYS 45 -1.318 -11.023 9.599 231 HZ2 LYS 45 HZ2 LYS 45 0.343 -11.125 9.299 232 HZ3 LYS 45 HZ3 LYS 45 -0.761 -11.654 8.131 233 H LYS 46 HN LYS 46 3.428 -5.490 5.062 234 HA LYS 46 HA LYS 46 2.641 -3.856 7.267 235 HB2 LYS 46 HB2 LYS 46 5.155 -4.065 5.629 236 HB3 LYS 46 HB1 LYS 46 4.961 -2.815 6.851 237 HG2 LYS 46 HG2 LYS 46 4.724 -5.769 7.384 238 HG3 LYS 46 HG1 LYS 46 6.184 -4.813 7.650 239 HD2 LYS 46 HD2 LYS 46 5.084 -3.478 9.308 240 HD3 LYS 46 HD1 LYS 46 3.523 -4.210 8.937 241 HE2 LYS 46 HE2 LYS 46 4.526 -6.416 9.633 242 HE3 LYS 46 HE1 LYS 46 5.908 -5.504 10.238 243 HZ1 LYS 46 HZ1 LYS 46 4.305 -5.966 11.989 244 HZ2 LYS 46 HZ2 LYS 46 3.094 -5.159 11.125 245 HZ3 LYS 46 HZ3 LYS 46 4.426 -4.300 11.715 246 H LEU 47 HN LEU 47 2.825 -3.458 3.829 247 HA LEU 47 HA LEU 47 2.724 -0.613 3.763 248 HB2 LEU 47 HB2 LEU 47 3.433 -1.606 1.766 249 HB3 LEU 47 HB1 LEU 47 2.164 -2.813 1.801 250 HG LEU 47 HG LEU 47 1.156 -0.074 1.523 251 HD11 LEU 47 HD11 LEU 47 3.228 0.182 0.268 252 HD12 LEU 47 HD12 LEU 47 1.834 0.162 -0.812 253 HD13 LEU 47 HD13 LEU 47 2.854 -1.269 -0.661 254 HD21 LEU 47 HD21 LEU 47 -0.166 -1.139 -0.247 255 HD22 LEU 47 HD22 LEU 47 -0.252 -2.043 1.265 256 HD23 LEU 47 HD23 LEU 47 0.771 -2.620 -0.051 257 H LYS 48 HN LYS 48 0.374 -3.203 3.831 258 HA LYS 48 HA LYS 48 -1.954 -1.627 3.476 259 HB2 LYS 48 HB2 LYS 48 -1.712 -4.137 3.164 260 HB3 LYS 48 HB1 LYS 48 -1.752 -4.276 4.916 261 HG2 LYS 48 HG2 LYS 48 -3.984 -3.270 4.938 262 HG3 LYS 48 HG1 LYS 48 -3.942 -3.159 3.175 263 HD2 LYS 48 HD2 LYS 48 -3.734 -5.591 3.025 264 HD3 LYS 48 HD1 LYS 48 -3.760 -5.706 4.785 265 HE2 LYS 48 HE2 LYS 48 -6.013 -4.668 4.766 266 HE3 LYS 48 HE1 LYS 48 -5.979 -4.708 3.004 267 HZ1 LYS 48 HZ1 LYS 48 -5.817 -7.078 4.789 268 HZ2 LYS 48 HZ2 LYS 48 -5.789 -7.116 3.099 269 HZ3 LYS 48 HZ3 LYS 48 -7.180 -6.597 3.908 270 H GLU 49 HN GLU 49 -0.081 -2.672 6.261 271 HA GLU 49 HA GLU 49 -1.904 -1.789 8.257 272 HB2 GLU 49 HB2 GLU 49 1.070 -2.327 8.369 273 HB3 GLU 49 HB1 GLU 49 0.083 -1.971 9.778 274 HG2 GLU 49 HG2 GLU 49 -1.157 -3.988 9.506 275 HG3 GLU 49 HG1 GLU 49 -0.409 -4.300 7.941 276 H SER 50 HN SER 50 0.873 -0.330 6.649 277 HA SER 50 HA SER 50 1.061 1.980 8.254 278 HB2 SER 50 HB2 SER 50 1.950 1.455 5.414 279 HB3 SER 50 HB1 SER 50 2.369 2.904 6.323 280 HG SER 50 HG SER 50 3.152 0.236 6.769 281 H TYR 51 HN TYR 51 -0.757 1.312 5.288 282 HA TYR 51 HA TYR 51 -1.622 3.997 4.908 283 HB2 TYR 51 HB2 TYR 51 -1.557 2.237 3.119 284 HB3 TYR 51 HB1 TYR 51 -2.953 1.485 3.883 285 HD1 TYR 51 HD1 TYR 51 -1.864 4.803 2.549 286 HD2 TYR 51 HD2 TYR 51 -5.060 2.052 3.112 287 HE1 TYR 51 HE1 TYR 51 -3.350 6.275 1.259 288 HE2 TYR 51 HE2 TYR 51 -6.555 3.518 1.823 289 HH TYR 51 HH TYR 51 -5.401 6.165 -0.014 290 H CYS 52 HN CYS 52 -2.968 1.212 6.587 291 HA CYS 52 HA CYS 52 -5.526 2.340 7.062 292 HB2 CYS 52 HB2 CYS 52 -4.024 0.044 8.293 293 HB3 CYS 52 HB1 CYS 52 -5.624 0.515 8.856 294 HG CYS 52 HG CYS 52 -7.018 -0.418 6.844 295 H GLN 53 HN GLN 53 -2.532 2.305 8.976 296 HA GLN 53 HA GLN 53 -3.799 3.530 11.248 297 HB2 GLN 53 HB2 GLN 53 -1.529 3.684 12.189 298 HB3 GLN 53 HB1 GLN 53 -1.912 2.066 11.624 299 HG2 GLN 53 HG2 GLN 53 0.140 2.201 10.730 300 HG3 GLN 53 HG1 GLN 53 -0.713 3.032 9.432 301 HE21 GLN 53 HE21 GLN 53 1.098 4.192 8.829 302 HE22 GLN 53 HE22 GLN 53 1.725 5.493 9.775 303 H ARG 54 HN ARG 54 -2.109 4.691 8.425 304 HA ARG 54 HA ARG 54 -1.808 7.368 9.511 305 HB2 ARG 54 HB2 ARG 54 -0.148 6.217 7.944 306 HB3 ARG 54 HB1 ARG 54 -1.316 6.501 6.663 307 HG2 ARG 54 HG2 ARG 54 0.316 8.225 6.564 308 HG3 ARG 54 HG1 ARG 54 -1.177 8.939 7.174 309 HD2 ARG 54 HD2 ARG 54 0.680 9.779 8.455 310 HD3 ARG 54 HD1 ARG 54 -0.293 8.722 9.475 311 HE ARG 54 HE ARG 54 1.869 7.335 8.222 312 HH11 ARG 54 HH11 ARG 54 1.039 9.414 10.899 313 HH12 ARG 54 HH12 ARG 54 2.353 8.874 11.890 314 HH21 ARG 54 HH21 ARG 54 3.602 6.625 9.522 315 HH22 ARG 54 HH22 ARG 54 3.809 7.290 11.108 316 H GLN 55 HN GLN 55 -4.393 5.729 8.413 317 HA GLN 55 HA GLN 55 -5.608 8.162 7.286 318 HB2 GLN 55 HB2 GLN 55 -5.077 6.141 5.689 319 HB3 GLN 55 HB1 GLN 55 -6.527 5.453 6.405 320 HG2 GLN 55 HG2 GLN 55 -7.231 6.502 4.435 321 HG3 GLN 55 HG1 GLN 55 -7.707 7.588 5.738 322 HE21 GLN 55 HE21 GLN 55 -6.680 9.563 5.959 323 HE22 GLN 55 HE22 GLN 55 -5.675 10.231 4.723 324 H GLY 56 HN GLY 56 -5.744 5.781 9.703 325 HA2 GLY 56 HA2 GLY 56 -7.299 5.381 11.352 326 HA3 GLY 56 HA1 GLY 56 -8.108 6.847 10.830 327 H VAL 57 HN VAL 57 -7.596 3.576 9.490 328 HA VAL 57 HA VAL 57 -10.485 3.192 9.317 329 HB VAL 57 HB VAL 57 -8.657 3.101 6.903 330 HG11 VAL 57 HG11 VAL 57 -10.724 2.472 5.679 331 HG12 VAL 57 HG12 VAL 57 -11.533 2.266 7.232 332 HG13 VAL 57 HG13 VAL 57 -10.162 1.240 6.807 333 HG21 VAL 57 HG21 VAL 57 -10.160 4.812 6.011 334 HG22 VAL 57 HG22 VAL 57 -9.403 5.346 7.512 335 HG23 VAL 57 HG23 VAL 57 -11.078 4.793 7.516 336 HA PRO 58 HA PRO 58 -9.050 -0.778 10.767 337 HB2 PRO 58 HB2 PRO 58 -11.255 -2.232 10.127 338 HB3 PRO 58 HB1 PRO 58 -11.151 -1.168 11.539 339 HG2 PRO 58 HG2 PRO 58 -12.195 -0.524 8.823 340 HG3 PRO 58 HG1 PRO 58 -13.053 -0.323 10.349 341 HD2 PRO 58 HD2 PRO 58 -11.846 1.778 9.338 342 HD3 PRO 58 HD1 PRO 58 -11.537 1.389 11.047 343 H MET 59 HN MET 59 -7.934 -2.393 9.973 344 HA MET 59 HA MET 59 -6.851 -2.539 7.532 345 HB2 MET 59 HB2 MET 59 -6.283 -3.892 9.568 346 HB3 MET 59 HB1 MET 59 -7.570 -4.994 9.122 347 HG2 MET 59 HG2 MET 59 -5.580 -5.986 8.376 348 HG3 MET 59 HG1 MET 59 -6.355 -5.332 6.933 349 HE1 MET 59 HE1 MET 59 -4.561 -2.940 9.558 350 HE2 MET 59 HE2 MET 59 -2.878 -3.219 9.124 351 HE3 MET 59 HE3 MET 59 -3.842 -4.533 9.794 352 H ASN 60 HN ASN 60 -9.983 -3.882 8.356 353 HA ASN 60 HA ASN 60 -10.256 -5.338 5.891 354 HB2 ASN 60 HB2 ASN 60 -12.516 -5.850 6.697 355 HB3 ASN 60 HB1 ASN 60 -11.304 -6.173 7.931 356 HD21 ASN 60 HD21 ASN 60 -14.247 -4.797 7.340 357 HD22 ASN 60 HD22 ASN 60 -14.358 -3.760 8.717 358 H SER 61 HN SER 61 -12.001 -2.614 7.321 359 HA SER 61 HA SER 61 -13.858 -1.822 5.757 360 HB2 SER 61 HB2 SER 61 -12.931 -0.430 7.472 361 HB3 SER 61 HB1 SER 61 -11.599 0.067 6.446 362 HG SER 61 HG SER 61 -14.254 0.852 6.532 363 H LEU 62 HN LEU 62 -10.516 -1.557 4.536 364 HA LEU 62 HA LEU 62 -11.625 -0.595 2.006 365 HB2 LEU 62 HB2 LEU 62 -8.714 -0.877 2.627 366 HB3 LEU 62 HB1 LEU 62 -9.478 0.137 1.425 367 HG LEU 62 HG LEU 62 -9.513 0.572 4.412 368 HD11 LEU 62 HD11 LEU 62 -8.290 2.236 2.227 369 HD12 LEU 62 HD12 LEU 62 -7.399 0.989 3.097 370 HD13 LEU 62 HD13 LEU 62 -8.049 2.378 3.967 371 HD21 LEU 62 HD21 LEU 62 -10.540 2.785 3.697 372 HD22 LEU 62 HD22 LEU 62 -11.593 1.373 3.616 373 HD23 LEU 62 HD23 LEU 62 -10.867 2.018 2.144 374 H ARG 63 HN ARG 63 -9.540 -1.320 0.345 375 HA ARG 63 HA ARG 63 -8.963 -4.095 0.232 376 HB2 ARG 63 HB2 ARG 63 -11.318 -4.340 -0.382 377 HB3 ARG 63 HB1 ARG 63 -11.180 -3.037 -1.555 378 HG2 ARG 63 HG2 ARG 63 -9.483 -4.479 -2.755 379 HG3 ARG 63 HG1 ARG 63 -9.997 -5.793 -1.698 380 HD2 ARG 63 HD2 ARG 63 -11.954 -4.220 -3.349 381 HD3 ARG 63 HD1 ARG 63 -11.097 -5.609 -4.004 382 HE ARG 63 HE ARG 63 -12.319 -6.371 -1.604 383 HH11 ARG 63 HH11 ARG 63 -13.185 -5.401 -4.836 384 HH12 ARG 63 HH12 ARG 63 -14.659 -6.310 -4.856 385 HH21 ARG 63 HH21 ARG 63 -14.254 -7.594 -1.627 386 HH22 ARG 63 HH22 ARG 63 -15.268 -7.556 -3.031 387 H PHE 64 HN PHE 64 -7.202 -4.253 -1.136 388 HA PHE 64 HA PHE 64 -6.610 -1.881 -2.784 389 HB2 PHE 64 HB2 PHE 64 -4.621 -3.817 -1.588 390 HB3 PHE 64 HB1 PHE 64 -4.258 -2.308 -2.417 391 HD1 PHE 64 HD1 PHE 64 -6.236 -3.545 0.502 392 HD2 PHE 64 HD2 PHE 64 -3.798 -0.458 -1.136 393 HE1 PHE 64 HE1 PHE 64 -6.355 -2.330 2.651 394 HE2 PHE 64 HE2 PHE 64 -3.910 0.769 1.006 395 HZ PHE 64 HZ PHE 64 -5.192 -0.168 2.904 396 H LEU 65 HN LEU 65 -5.888 -2.126 -4.882 397 HA LEU 65 HA LEU 65 -5.836 -4.876 -5.920 398 HB2 LEU 65 HB2 LEU 65 -7.031 -2.567 -7.409 399 HB3 LEU 65 HB1 LEU 65 -7.091 -4.259 -7.833 400 HG LEU 65 HG LEU 65 -8.568 -2.961 -5.542 401 HD11 LEU 65 HD11 LEU 65 -10.513 -3.250 -6.897 402 HD12 LEU 65 HD12 LEU 65 -9.603 -4.145 -8.113 403 HD13 LEU 65 HD13 LEU 65 -9.304 -2.423 -7.879 404 HD21 LEU 65 HD21 LEU 65 -7.975 -5.259 -5.004 405 HD22 LEU 65 HD22 LEU 65 -8.582 -5.802 -6.569 406 HD23 LEU 65 HD23 LEU 65 -9.695 -5.150 -5.370 407 H PHE 66 HN PHE 66 -4.820 -5.173 -7.978 408 HA PHE 66 HA PHE 66 -3.062 -3.100 -8.999 409 HB2 PHE 66 HB2 PHE 66 -1.685 -4.152 -7.246 410 HB3 PHE 66 HB1 PHE 66 -1.993 -5.737 -7.947 411 HD1 PHE 66 HD1 PHE 66 -0.897 -2.415 -9.255 412 HD2 PHE 66 HD2 PHE 66 -0.172 -6.606 -9.027 413 HE1 PHE 66 HE1 PHE 66 1.061 -2.149 -10.739 414 HE2 PHE 66 HE2 PHE 66 1.790 -6.359 -10.513 415 HZ PHE 66 HZ PHE 66 2.407 -4.124 -11.372 416 H GLU 67 HN GLU 67 -2.550 -3.474 -11.175 417 HA GLU 67 HA GLU 67 -3.064 -4.203 -13.295 418 HB2 GLU 67 HB2 GLU 67 -2.499 -6.796 -11.849 419 HB3 GLU 67 HB1 GLU 67 -2.799 -6.727 -13.576 420 HG2 GLU 67 HG2 GLU 67 -0.836 -5.274 -13.843 421 HG3 GLU 67 HG1 GLU 67 -0.530 -5.394 -12.110 422 H GLY 68 HN GLY 68 -5.251 -3.811 -11.389 423 HA2 GLY 68 HA2 GLY 68 -7.560 -3.946 -11.709 424 HA3 GLY 68 HA1 GLY 68 -7.297 -5.232 -12.880 425 H GLN 69 HN GLN 69 -5.822 -7.046 -11.366 426 HA GLN 69 HA GLN 69 -7.946 -8.159 -9.804 427 HB2 GLN 69 HB2 GLN 69 -5.189 -9.160 -10.458 428 HB3 GLN 69 HB1 GLN 69 -6.312 -10.051 -9.438 429 HG2 GLN 69 HG2 GLN 69 -7.957 -9.858 -11.383 430 HG3 GLN 69 HG1 GLN 69 -6.566 -9.374 -12.348 431 HE21 GLN 69 HE21 GLN 69 -8.453 -11.899 -11.620 432 HE22 GLN 69 HE22 GLN 69 -7.348 -13.202 -11.869 433 H ARG 70 HN ARG 70 -7.960 -8.815 -7.698 434 HA ARG 70 HA ARG 70 -7.217 -6.986 -5.793 435 HB2 ARG 70 HB2 ARG 70 -8.967 -8.757 -5.623 436 HB3 ARG 70 HB1 ARG 70 -7.689 -9.916 -5.301 437 HG2 ARG 70 HG2 ARG 70 -7.218 -9.007 -3.226 438 HG3 ARG 70 HG1 ARG 70 -8.014 -7.476 -3.612 439 HD2 ARG 70 HD2 ARG 70 -10.159 -8.798 -3.800 440 HD3 ARG 70 HD1 ARG 70 -9.283 -10.145 -3.073 441 HE ARG 70 HE ARG 70 -8.848 -8.056 -1.378 442 HH11 ARG 70 HH11 ARG 70 -11.683 -9.605 -2.671 443 HH12 ARG 70 HH12 ARG 70 -12.663 -9.260 -1.283 444 HH21 ARG 70 HH21 ARG 70 -10.125 -7.585 0.451 445 HH22 ARG 70 HH22 ARG 70 -11.776 -8.105 0.493 446 H ILE 71 HN ILE 71 -5.936 -7.438 -3.785 447 HA ILE 71 HA ILE 71 -3.318 -8.567 -4.518 448 HB ILE 71 HB ILE 71 -3.965 -6.154 -2.834 449 HG12 ILE 71 HG12 ILE 71 -2.201 -6.606 -5.253 450 HG13 ILE 71 HG11 ILE 71 -3.775 -5.819 -5.258 451 HG21 ILE 71 HG21 ILE 71 -2.324 -7.493 -1.626 452 HG22 ILE 71 HG22 ILE 71 -1.580 -6.035 -2.281 453 HG23 ILE 71 HG23 ILE 71 -1.321 -7.589 -3.074 454 HD11 ILE 71 HD11 ILE 71 -2.167 -4.104 -5.360 455 HD12 ILE 71 HD12 ILE 71 -1.208 -4.819 -4.066 456 HD13 ILE 71 HD13 ILE 71 -2.776 -4.098 -3.705 457 H ALA 72 HN ALA 72 -2.613 -10.169 -3.364 458 HA ALA 72 HA ALA 72 -3.993 -11.341 -1.214 459 HB1 ALA 72 HB1 ALA 72 -2.564 -12.637 -2.761 460 HB2 ALA 72 HB2 ALA 72 -2.107 -12.892 -1.078 461 HB3 ALA 72 HB3 ALA 72 -1.140 -11.832 -2.102 462 H ASP 73 HN ASP 73 -3.333 -11.556 0.963 463 HA ASP 73 HA ASP 73 -2.321 -9.144 2.094 464 HB2 ASP 73 HB2 ASP 73 -4.092 -10.813 3.004 465 HB3 ASP 73 HB1 ASP 73 -2.699 -11.696 3.623 466 H ASN 74 HN ASN 74 -0.921 -12.145 1.159 467 HA ASN 74 HA ASN 74 1.539 -11.613 2.680 468 HB2 ASN 74 HB2 ASN 74 0.507 -14.089 1.292 469 HB3 ASN 74 HB1 ASN 74 2.146 -13.957 1.923 470 HD21 ASN 74 HD21 ASN 74 0.681 -12.136 4.023 471 HD22 ASN 74 HD22 ASN 74 0.156 -13.292 5.192 472 H HIS 75 HN HIS 75 0.235 -10.920 -0.218 473 HA HIS 75 HA HIS 75 2.059 -11.576 -2.182 474 HB2 HIS 75 HB2 HIS 75 -0.168 -9.864 -1.922 475 HB3 HIS 75 HB1 HIS 75 1.138 -8.873 -2.558 476 HD1 HIS 75 HD1 HIS 75 2.489 -10.489 -4.568 477 HD2 HIS 75 HD2 HIS 75 -1.595 -10.830 -4.015 478 HE1 HIS 75 HE1 HIS 75 1.578 -11.432 -6.721 479 H THR 76 HN THR 76 3.490 -9.979 -3.341 480 HA THR 76 HA THR 76 4.785 -7.807 -2.108 481 HB THR 76 HB THR 76 6.269 -10.466 -1.934 482 HG1 THR 76 HG1 THR 76 6.436 -9.755 0.324 483 HG21 THR 76 HG21 THR 76 7.653 -8.529 -2.759 484 HG22 THR 76 HG22 THR 76 8.209 -9.238 -1.244 485 HG23 THR 76 HG23 THR 76 7.313 -7.720 -1.230 486 HA PRO 77 HA PRO 77 5.777 -7.363 -6.410 487 HB2 PRO 77 HB2 PRO 77 8.451 -6.545 -5.284 488 HB3 PRO 77 HB1 PRO 77 7.540 -5.828 -6.627 489 HG2 PRO 77 HG2 PRO 77 7.362 -4.637 -4.319 490 HG3 PRO 77 HG1 PRO 77 5.843 -5.017 -5.165 491 HD2 PRO 77 HD2 PRO 77 7.156 -6.514 -2.892 492 HD3 PRO 77 HD1 PRO 77 5.448 -6.061 -3.083 493 H LYS 78 HN LYS 78 7.420 -9.339 -4.213 494 HA LYS 78 HA LYS 78 9.318 -10.662 -5.813 495 HB2 LYS 78 HB2 LYS 78 9.221 -10.885 -3.358 496 HB3 LYS 78 HB1 LYS 78 7.643 -11.639 -3.475 497 HG2 LYS 78 HG2 LYS 78 8.686 -13.541 -4.668 498 HG3 LYS 78 HG1 LYS 78 10.263 -12.789 -4.411 499 HD2 LYS 78 HD2 LYS 78 9.976 -12.919 -2.008 500 HD3 LYS 78 HD1 LYS 78 8.341 -13.551 -2.209 501 HE2 LYS 78 HE2 LYS 78 9.292 -15.524 -3.364 502 HE3 LYS 78 HE1 LYS 78 10.908 -14.900 -3.041 503 HZ1 LYS 78 HZ1 LYS 78 8.900 -15.643 -0.980 504 HZ2 LYS 78 HZ2 LYS 78 10.451 -15.044 -0.669 505 HZ3 LYS 78 HZ3 LYS 78 10.262 -16.554 -1.407 506 H GLU 79 HN GLU 79 5.902 -10.637 -5.649 507 HA GLU 79 HA GLU 79 5.683 -12.957 -7.434 508 HB2 GLU 79 HB2 GLU 79 3.518 -11.805 -5.677 509 HB3 GLU 79 HB1 GLU 79 3.455 -13.303 -6.593 510 HG2 GLU 79 HG2 GLU 79 5.252 -12.745 -4.248 511 HG3 GLU 79 HG1 GLU 79 3.775 -13.709 -4.221 512 H LEU 80 HN LEU 80 4.744 -9.618 -6.890 513 HA LEU 80 HA LEU 80 3.068 -9.559 -9.254 514 HB2 LEU 80 HB2 LEU 80 3.746 -7.499 -7.187 515 HB3 LEU 80 HB1 LEU 80 2.781 -7.139 -8.605 516 HG LEU 80 HG LEU 80 2.058 -9.190 -6.509 517 HD11 LEU 80 HD11 LEU 80 1.928 -6.950 -5.590 518 HD12 LEU 80 HD12 LEU 80 0.304 -7.568 -5.894 519 HD13 LEU 80 HD13 LEU 80 1.025 -6.397 -7.000 520 HD21 LEU 80 HD21 LEU 80 0.871 -8.279 -9.089 521 HD22 LEU 80 HD22 LEU 80 -0.188 -8.809 -7.784 522 HD23 LEU 80 HD23 LEU 80 1.025 -9.910 -8.436 523 H GLY 81 HN GLY 81 6.341 -9.027 -8.636 524 HA2 GLY 81 HA2 GLY 81 8.022 -8.025 -9.853 525 HA3 GLY 81 HA1 GLY 81 7.027 -8.432 -11.245 526 H MET 82 HN MET 82 5.930 -6.286 -8.728 527 HA MET 82 HA MET 82 5.238 -4.241 -10.527 528 HB2 MET 82 HB2 MET 82 5.720 -4.027 -7.548 529 HB3 MET 82 HB1 MET 82 4.823 -2.882 -8.532 530 HG2 MET 82 HG2 MET 82 3.210 -4.715 -9.047 531 HG3 MET 82 HG1 MET 82 4.063 -5.709 -7.872 532 HE1 MET 82 HE1 MET 82 2.623 -5.093 -4.722 533 HE2 MET 82 HE2 MET 82 4.143 -4.215 -4.868 534 HE3 MET 82 HE3 MET 82 3.932 -5.756 -5.702 535 H GLU 83 HN GLU 83 6.587 -2.924 -11.600 536 HA GLU 83 HA GLU 83 9.336 -2.588 -10.841 537 HB2 GLU 83 HB2 GLU 83 7.636 -1.940 -13.097 538 HB3 GLU 83 HB1 GLU 83 8.622 -0.557 -12.659 539 HG2 GLU 83 HG2 GLU 83 10.664 -1.898 -12.918 540 HG3 GLU 83 HG1 GLU 83 9.700 -3.323 -13.286 541 H GLU 84 HN GLU 84 9.443 0.303 -11.485 542 HA GLU 84 HA GLU 84 8.556 1.293 -8.863 543 HB2 GLU 84 HB2 GLU 84 10.160 2.808 -10.934 544 HB3 GLU 84 HB1 GLU 84 10.025 3.157 -9.222 545 HG2 GLU 84 HG2 GLU 84 12.120 2.272 -9.302 546 HG3 GLU 84 HG1 GLU 84 11.182 0.816 -8.973 547 H GLU 85 HN GLU 85 7.606 3.579 -8.958 548 HA GLU 85 HA GLU 85 6.039 5.064 -9.668 549 HB2 GLU 85 HB2 GLU 85 7.489 5.234 -11.660 550 HB3 GLU 85 HB1 GLU 85 6.582 3.934 -12.414 551 HG2 GLU 85 HG2 GLU 85 5.849 6.017 -13.316 552 HG3 GLU 85 HG1 GLU 85 4.558 5.350 -12.317 553 H ASP 86 HN ASP 86 5.583 1.810 -9.739 554 HA ASP 86 HA ASP 86 3.263 1.306 -11.116 555 HB2 ASP 86 HB2 ASP 86 4.558 0.167 -8.737 556 HB3 ASP 86 HB1 ASP 86 2.824 -0.121 -8.829 557 H VAL 87 HN VAL 87 1.103 0.775 -9.980 558 HA VAL 87 HA VAL 87 0.322 2.931 -8.149 559 HB VAL 87 HB VAL 87 -1.075 2.270 -10.756 560 HG11 VAL 87 HG11 VAL 87 -2.707 2.567 -8.957 561 HG12 VAL 87 HG12 VAL 87 -2.751 3.927 -10.080 562 HG13 VAL 87 HG13 VAL 87 -1.950 4.099 -8.517 563 HG21 VAL 87 HG21 VAL 87 0.875 3.796 -10.882 564 HG22 VAL 87 HG22 VAL 87 0.073 4.866 -9.732 565 HG23 VAL 87 HG23 VAL 87 -0.644 4.580 -11.317 566 H ILE 88 HN ILE 88 -1.389 2.444 -6.806 567 HA ILE 88 HA ILE 88 -2.593 -0.234 -7.053 568 HB ILE 88 HB ILE 88 -1.592 1.051 -4.482 569 HG12 ILE 88 HG12 ILE 88 -0.863 -1.516 -5.918 570 HG13 ILE 88 HG11 ILE 88 0.175 -0.111 -5.694 571 HG21 ILE 88 HG21 ILE 88 -3.165 -1.500 -4.890 572 HG22 ILE 88 HG22 ILE 88 -3.789 -0.012 -4.179 573 HG23 ILE 88 HG23 ILE 88 -2.521 -0.918 -3.354 574 HD11 ILE 88 HD11 ILE 88 -0.842 -1.933 -3.518 575 HD12 ILE 88 HD12 ILE 88 0.170 -0.511 -3.271 576 HD13 ILE 88 HD13 ILE 88 0.796 -1.893 -4.171 577 H GLU 89 HN GLU 89 -4.755 -0.239 -6.697 578 HA GLU 89 HA GLU 89 -6.027 2.357 -6.139 579 HB2 GLU 89 HB2 GLU 89 -6.550 0.245 -8.032 580 HB3 GLU 89 HB1 GLU 89 -7.919 0.437 -6.962 581 HG2 GLU 89 HG2 GLU 89 -8.439 1.830 -8.724 582 HG3 GLU 89 HG1 GLU 89 -7.771 2.931 -7.520 583 H VAL 90 HN VAL 90 -7.504 2.530 -4.471 584 HA VAL 90 HA VAL 90 -7.891 0.115 -2.797 585 HB VAL 90 HB VAL 90 -7.898 2.971 -1.758 586 HG11 VAL 90 HG11 VAL 90 -7.581 1.780 0.427 587 HG12 VAL 90 HG12 VAL 90 -7.825 0.259 -0.431 588 HG13 VAL 90 HG13 VAL 90 -9.123 1.452 -0.363 589 HG21 VAL 90 HG21 VAL 90 -5.644 0.973 -1.635 590 HG22 VAL 90 HG22 VAL 90 -5.675 2.554 -0.853 591 HG23 VAL 90 HG23 VAL 90 -5.668 2.441 -2.612 592 H TYR 91 HN TYR 91 -10.013 -0.343 -2.389 593 HA TYR 91 HA TYR 91 -11.982 1.722 -3.124 594 HB2 TYR 91 HB2 TYR 91 -12.137 -1.254 -3.643 595 HB3 TYR 91 HB1 TYR 91 -13.470 -0.132 -3.881 596 HD1 TYR 91 HD1 TYR 91 -10.008 -0.892 -5.017 597 HD2 TYR 91 HD2 TYR 91 -13.718 1.011 -5.907 598 HE1 TYR 91 HE1 TYR 91 -9.243 -0.484 -7.330 599 HE2 TYR 91 HE2 TYR 91 -12.953 1.439 -8.219 600 HH TYR 91 HH TYR 91 -10.760 1.671 -9.430 601 H GLN 92 HN GLN 92 -13.611 2.034 -1.715 602 HA GLN 92 HA GLN 92 -13.437 1.135 0.944 603 HB2 GLN 92 HB2 GLN 92 -14.656 3.157 0.438 604 HB3 GLN 92 HB1 GLN 92 -15.689 2.320 -0.705 605 HG2 GLN 92 HG2 GLN 92 -16.923 2.870 1.276 606 HG3 GLN 92 HG1 GLN 92 -16.753 1.123 1.147 607 HE21 GLN 92 HE21 GLN 92 -17.164 0.857 3.336 608 HE22 GLN 92 HE22 GLN 92 -15.996 1.252 4.546 609 H GLU 93 HN GLU 93 -14.251 -0.749 1.876 610 HA GLU 93 HA GLU 93 -15.134 -2.782 0.036 611 HB2 GLU 93 HB2 GLU 93 -13.604 -3.137 2.073 612 HB3 GLU 93 HB1 GLU 93 -15.078 -3.080 3.032 613 HG2 GLU 93 HG2 GLU 93 -14.433 -5.378 2.523 614 HG3 GLU 93 HG1 GLU 93 -15.987 -4.966 1.795 615 H GLN 94 HN GLN 94 -17.080 -3.761 -0.068 616 HA GLN 94 HA GLN 94 -19.316 -2.865 1.572 617 HB2 GLN 94 HB2 GLN 94 -20.608 -2.169 -0.403 618 HB3 GLN 94 HB1 GLN 94 -19.152 -1.186 -0.233 619 HG2 GLN 94 HG2 GLN 94 -18.035 -2.757 -1.845 620 HG3 GLN 94 HG1 GLN 94 -19.626 -3.457 -2.141 621 HE21 GLN 94 HE21 GLN 94 -20.746 -2.642 -3.728 622 HE22 GLN 94 HE22 GLN 94 -20.511 -1.088 -4.447 623 H THR 95 HN THR 95 -21.347 -4.006 0.734 624 HA THR 95 HA THR 95 -20.883 -6.549 -0.642 625 HB THR 95 HB THR 95 -22.043 -7.839 1.092 626 HG1 THR 95 HG1 THR 95 -23.344 -6.229 2.002 627 HG21 THR 95 HG21 THR 95 -20.359 -7.758 2.886 628 HG22 THR 95 HG22 THR 95 -19.775 -6.214 2.263 629 HG23 THR 95 HG23 THR 95 -19.605 -7.676 1.293 630 H GLY 96 HN GLY 96 -23.076 -7.596 -1.079 631 HA2 GLY 96 HA2 GLY 96 -24.840 -5.677 -2.200 632 HA3 GLY 96 HA1 GLY 96 -25.159 -7.400 -2.053 633 H GLY 97 HN GLY 97 -27.369 -6.467 -1.670 634 HA2 GLY 97 HA2 GLY 97 -27.893 -6.422 1.197 635 HA3 GLY 97 HA1 GLY 97 -28.373 -4.971 0.316 636 H1 ASP2705 HT1 ASP2705 18.432 -7.402 12.632 637 H2 ASP2705 HT2 ASP2705 17.380 -6.807 13.815 638 H3 ASP2705 HT3 ASP2705 17.996 -5.767 12.632 639 HA ASP2705 HA ASP2705 16.820 -6.960 10.914 640 HB2 ASP2705 HB2 ASP2705 15.160 -8.676 11.559 641 HB3 ASP2705 HB1 ASP2705 16.806 -9.166 11.949 642 H ASN2706 HN ASN2706 16.276 -5.321 13.787 643 HA ASN2706 HA ASN2706 13.513 -4.614 13.192 644 HB2 ASN2706 HB2 ASN2706 14.498 -5.034 15.553 645 HB3 ASN2706 HB1 ASN2706 15.183 -3.420 15.395 646 HD21 ASN2706 HD21 ASN2706 13.961 -2.593 17.069 647 HD22 ASN2706 HD22 ASN2706 12.262 -2.315 16.932 648 H GLU2707 HN GLU2707 16.408 -3.715 12.043 649 HA GLU2707 HA GLU2707 16.101 -0.847 12.054 650 HB2 GLU2707 HB2 GLU2707 18.035 -2.588 10.509 651 HB3 GLU2707 HB1 GLU2707 18.129 -0.841 10.670 652 HG2 GLU2707 HG2 GLU2707 19.666 -1.553 12.224 653 HG3 GLU2707 HG1 GLU2707 18.226 -1.332 13.214 654 H ILE2708 HN ILE2708 14.621 -3.271 10.371 655 HA ILE2708 HA ILE2708 14.547 -2.051 7.758 656 HB ILE2708 HB ILE2708 12.832 -4.267 8.902 657 HG12 ILE2708 HG12 ILE2708 15.224 -4.496 7.066 658 HG13 ILE2708 HG11 ILE2708 15.320 -4.701 8.812 659 HG21 ILE2708 HG21 ILE2708 13.257 -3.382 6.050 660 HG22 ILE2708 HG22 ILE2708 11.777 -3.201 6.993 661 HG23 ILE2708 HG23 ILE2708 12.353 -4.809 6.554 662 HD11 ILE2708 HD11 ILE2708 13.808 -6.600 8.682 663 HD12 ILE2708 HD12 ILE2708 15.215 -6.837 7.646 664 HD13 ILE2708 HD13 ILE2708 13.666 -6.379 6.938 665 H GLU2709 HN GLU2709 13.341 -0.324 7.289 666 HA GLU2709 HA GLU2709 10.694 -0.047 8.491 667 HB2 GLU2709 HB2 GLU2709 11.157 2.389 8.903 668 HB3 GLU2709 HB1 GLU2709 11.970 1.271 9.990 669 HG2 GLU2709 HG2 GLU2709 14.038 1.535 8.766 670 HG3 GLU2709 HG1 GLU2709 13.235 2.571 7.588 671 H VAL2710 HN VAL2710 9.308 1.444 7.423 672 HA VAL2710 HA VAL2710 10.079 1.940 4.627 673 HB VAL2710 HB VAL2710 7.715 1.814 4.035 674 HG11 VAL2710 HG11 VAL2710 7.360 -0.595 4.478 675 HG12 VAL2710 HG12 VAL2710 8.703 -0.552 5.619 676 HG13 VAL2710 HG13 VAL2710 8.988 -0.226 3.910 677 HG21 VAL2710 HG21 VAL2710 6.070 0.982 5.713 678 HG22 VAL2710 HG22 VAL2710 6.661 2.611 6.041 679 HG23 VAL2710 HG23 VAL2710 7.283 1.244 6.966 680 H ILE2711 HN ILE2711 9.523 3.911 3.672 681 HA ILE2711 HA ILE2711 8.911 6.062 5.591 682 HB ILE2711 HB ILE2711 10.280 6.347 2.911 683 HG12 ILE2711 HG12 ILE2711 11.633 6.489 5.601 684 HG13 ILE2711 HG11 ILE2711 11.519 4.979 4.702 685 HG21 ILE2711 HG21 ILE2711 10.927 8.557 3.776 686 HG22 ILE2711 HG22 ILE2711 9.982 8.250 5.234 687 HG23 ILE2711 HG23 ILE2711 9.177 8.370 3.669 688 HD11 ILE2711 HD11 ILE2711 12.763 5.946 2.868 689 HD12 ILE2711 HD12 ILE2711 13.663 6.114 4.375 690 HD13 ILE2711 HD13 ILE2711 12.815 7.503 3.696 691 H ILE2712 HN ILE2712 6.871 6.767 5.451 692 HA ILE2712 HA ILE2712 5.659 6.916 2.774 693 HB ILE2712 HB ILE2712 3.438 6.497 3.899 694 HG12 ILE2712 HG12 ILE2712 4.954 5.119 6.082 695 HG13 ILE2712 HG11 ILE2712 4.611 6.839 6.237 696 HG21 ILE2712 HG21 ILE2712 4.544 4.827 2.522 697 HG22 ILE2712 HG22 ILE2712 3.709 4.067 3.876 698 HG23 ILE2712 HG23 ILE2712 5.462 4.264 3.918 699 HD11 ILE2712 HD11 ILE2712 2.461 4.837 5.656 700 HD12 ILE2712 HD12 ILE2712 2.299 6.485 6.263 701 HD13 ILE2712 HD13 ILE2712 2.973 5.225 7.297 702 H VAL2713 HN VAL2713 5.696 9.043 2.345 703 HA VAL2713 HA VAL2713 4.075 10.746 3.818 704 HB VAL2713 HB VAL2713 6.002 12.576 3.717 705 HG11 VAL2713 HG11 VAL2713 5.669 10.593 5.962 706 HG12 VAL2713 HG12 VAL2713 4.737 12.070 5.713 707 HG13 VAL2713 HG13 VAL2713 6.455 12.166 6.099 708 HG21 VAL2713 HG21 VAL2713 7.502 10.004 4.202 709 HG22 VAL2713 HG22 VAL2713 8.149 11.627 4.440 710 HG23 VAL2713 HG23 VAL2713 7.697 11.086 2.823 711 H TRP2714 HN TRP2714 2.858 11.631 2.340 712 HA TRP2714 HA TRP2714 3.870 12.016 -0.358 713 HB2 TRP2714 HB2 TRP2714 1.621 10.989 0.152 714 HB3 TRP2714 HB1 TRP2714 1.091 12.578 0.673 715 HD1 TRP2714 HD1 TRP2714 2.884 11.289 -2.542 716 HE1 TRP2714 HE1 TRP2714 1.730 12.375 -4.567 717 HE3 TRP2714 HE3 TRP2714 -0.647 14.019 -0.080 718 HZ2 TRP2714 HZ2 TRP2714 -0.402 14.161 -5.055 719 HZ3 TRP2714 HZ3 TRP2714 -2.206 15.382 -1.395 720 HH2 TRP2714 HH2 TRP2714 -2.082 15.463 -3.818 721 H GLU2715 HN GLU2715 3.176 14.038 -1.504 722 HA GLU2715 HA GLU2715 3.174 16.349 0.257 723 HB2 GLU2715 HB2 GLU2715 5.091 15.760 -1.953 724 HB3 GLU2715 HB1 GLU2715 4.605 17.430 -1.701 725 HG2 GLU2715 HG2 GLU2715 5.739 15.703 0.481 726 HG3 GLU2715 HG1 GLU2715 6.728 16.718 -0.566 727 H LYS2716 HN LYS2716 1.692 17.877 -0.293 728 HA LYS2716 HA LYS2716 -0.053 17.287 -2.522 729 HB2 LYS2716 HB2 LYS2716 -0.146 19.197 -0.218 730 HB3 LYS2716 HB1 LYS2716 -1.214 19.438 -1.595 731 HG2 LYS2716 HG2 LYS2716 -1.174 16.703 -0.553 732 HG3 LYS2716 HG1 LYS2716 -1.799 17.912 0.571 733 HD2 LYS2716 HD2 LYS2716 -2.754 17.706 -2.276 734 HD3 LYS2716 HD1 LYS2716 -3.485 16.759 -0.974 735 HE2 LYS2716 HE2 LYS2716 -3.946 18.876 0.235 736 HE3 LYS2716 HE1 LYS2716 -3.300 19.774 -1.136 737 HZ1 LYS2716 HZ1 LYS2716 -5.619 17.925 -1.274 738 HZ2 LYS2716 HZ2 LYS2716 -5.038 18.904 -2.524 739 HZ3 LYS2716 HZ3 LYS2716 -5.739 19.608 -1.155 740 H LYS2717 HN LYS2717 -0.448 18.538 -4.286 741 HA LYS2717 HA LYS2717 1.599 20.555 -4.884 742 HB2 LYS2717 HB2 LYS2717 0.279 18.440 -6.459 743 HB3 LYS2717 HB1 LYS2717 0.483 19.973 -7.297 744 HG2 LYS2717 HG2 LYS2717 2.700 18.438 -5.958 745 HG3 LYS2717 HG1 LYS2717 2.335 18.397 -7.684 746 HD2 LYS2717 HD2 LYS2717 2.679 20.867 -7.742 747 HD3 LYS2717 HD1 LYS2717 3.212 20.785 -6.063 748 HE2 LYS2717 HE2 LYS2717 5.003 19.238 -6.728 749 HE3 LYS2717 HE1 LYS2717 4.484 19.378 -8.408 750 HZ1 LYS2717 HZ1 LYS2717 4.951 21.767 -8.281 751 HZ2 LYS2717 HZ2 LYS2717 6.333 20.836 -7.992 752 HZ3 LYS2717 HZ3 LYS2717 5.526 21.574 -6.701 Start of MODEL 7 1 H1 GLU 20 HT1 GLU 20 16.108 0.796 -4.244 2 H2 GLU 20 HT2 GLU 20 15.641 -0.820 -4.066 3 H3 GLU 20 HT3 GLU 20 17.265 -0.385 -3.880 4 HA GLU 20 HA GLU 20 16.234 -0.791 -1.749 5 HB2 GLU 20 HB2 GLU 20 17.091 2.008 -2.440 6 HB3 GLU 20 HB1 GLU 20 16.659 1.574 -0.791 7 HG2 GLU 20 HG2 GLU 20 18.810 0.255 -2.433 8 HG3 GLU 20 HG1 GLU 20 19.073 1.471 -1.183 9 H TYR 21 HN TYR 21 15.024 2.440 -2.604 10 HA TYR 21 HA TYR 21 12.473 1.725 -1.353 11 HB2 TYR 21 HB2 TYR 21 13.976 4.260 -1.722 12 HB3 TYR 21 HB1 TYR 21 12.221 4.370 -1.763 13 HD1 TYR 21 HD1 TYR 21 11.309 2.528 0.242 14 HD2 TYR 21 HD2 TYR 21 14.733 5.053 0.306 15 HE1 TYR 21 HE1 TYR 21 11.240 2.548 2.698 16 HE2 TYR 21 HE2 TYR 21 14.675 5.078 2.763 17 HH TYR 21 HH TYR 21 12.729 2.942 4.577 18 H ILE 22 HN ILE 22 10.773 1.275 -2.578 19 HA ILE 22 HA ILE 22 10.804 2.138 -5.386 20 HB ILE 22 HB ILE 22 9.051 0.422 -5.753 21 HG12 ILE 22 HG12 ILE 22 9.661 -0.445 -2.917 22 HG13 ILE 22 HG11 ILE 22 8.199 0.409 -3.399 23 HG21 ILE 22 HG21 ILE 22 10.546 -1.530 -5.515 24 HG22 ILE 22 HG22 ILE 22 11.619 -0.553 -4.513 25 HG23 ILE 22 HG23 ILE 22 11.356 -0.124 -6.203 26 HD11 ILE 22 HD11 ILE 22 7.608 -1.458 -4.867 27 HD12 ILE 22 HD12 ILE 22 7.783 -1.962 -3.185 28 HD13 ILE 22 HD13 ILE 22 9.061 -2.313 -4.350 29 H LYS 23 HN LYS 23 9.028 3.179 -6.304 30 HA LYS 23 HA LYS 23 7.397 4.646 -4.384 31 HB2 LYS 23 HB2 LYS 23 8.649 5.808 -6.231 32 HB3 LYS 23 HB1 LYS 23 7.560 5.036 -7.374 33 HG2 LYS 23 HG2 LYS 23 5.678 6.129 -6.004 34 HG3 LYS 23 HG1 LYS 23 6.957 7.144 -5.337 35 HD2 LYS 23 HD2 LYS 23 6.333 6.836 -8.274 36 HD3 LYS 23 HD1 LYS 23 5.825 8.190 -7.263 37 HE2 LYS 23 HE2 LYS 23 8.155 8.766 -6.842 38 HE3 LYS 23 HE1 LYS 23 8.683 7.388 -7.805 39 HZ1 LYS 23 HZ1 LYS 23 7.624 8.386 -9.741 40 HZ2 LYS 23 HZ2 LYS 23 8.782 9.430 -9.080 41 HZ3 LYS 23 HZ3 LYS 23 7.137 9.715 -8.813 42 H LEU 24 HN LEU 24 5.647 3.535 -3.764 43 HA LEU 24 HA LEU 24 4.062 2.131 -5.792 44 HB2 LEU 24 HB2 LEU 24 3.961 2.032 -2.775 45 HB3 LEU 24 HB1 LEU 24 2.875 1.148 -3.830 46 HG LEU 24 HG LEU 24 5.870 0.770 -3.777 47 HD11 LEU 24 HD11 LEU 24 4.863 0.089 -1.660 48 HD12 LEU 24 HD12 LEU 24 5.412 -1.307 -2.587 49 HD13 LEU 24 HD13 LEU 24 3.696 -0.907 -2.531 50 HD21 LEU 24 HD21 LEU 24 4.923 0.169 -5.906 51 HD22 LEU 24 HD22 LEU 24 3.643 -0.754 -5.120 52 HD23 LEU 24 HD23 LEU 24 5.316 -1.303 -5.017 53 H LYS 25 HN LYS 25 2.740 3.557 -6.761 54 HA LYS 25 HA LYS 25 1.578 5.780 -5.389 55 HB2 LYS 25 HB2 LYS 25 1.329 4.626 -8.133 56 HB3 LYS 25 HB1 LYS 25 0.158 5.818 -7.592 57 HG2 LYS 25 HG2 LYS 25 2.044 7.357 -7.099 58 HG3 LYS 25 HG1 LYS 25 3.136 6.173 -7.822 59 HD2 LYS 25 HD2 LYS 25 2.023 6.360 -9.944 60 HD3 LYS 25 HD1 LYS 25 0.777 7.396 -9.246 61 HE2 LYS 25 HE2 LYS 25 2.548 9.060 -8.716 62 HE3 LYS 25 HE1 LYS 25 3.702 8.042 -9.576 63 HZ1 LYS 25 HZ1 LYS 25 2.420 8.318 -11.588 64 HZ2 LYS 25 HZ2 LYS 25 2.844 9.833 -10.967 65 HZ3 LYS 25 HZ3 LYS 25 1.268 9.251 -10.772 66 H VAL 26 HN VAL 26 0.099 5.449 -3.873 67 HA VAL 26 HA VAL 26 -1.931 3.377 -4.262 68 HB VAL 26 HB VAL 26 -1.290 5.028 -1.808 69 HG11 VAL 26 HG11 VAL 26 -3.637 4.398 -1.845 70 HG12 VAL 26 HG12 VAL 26 -2.773 3.464 -0.623 71 HG13 VAL 26 HG13 VAL 26 -3.200 2.719 -2.164 72 HG21 VAL 26 HG21 VAL 26 0.470 3.432 -2.377 73 HG22 VAL 26 HG22 VAL 26 -0.721 2.132 -2.435 74 HG23 VAL 26 HG23 VAL 26 -0.378 2.946 -0.908 75 H ILE 27 HN ILE 27 -3.553 4.099 -5.475 76 HA ILE 27 HA ILE 27 -4.548 6.826 -5.087 77 HB ILE 27 HB ILE 27 -5.005 4.809 -7.278 78 HG12 ILE 27 HG12 ILE 27 -3.697 7.537 -7.204 79 HG13 ILE 27 HG11 ILE 27 -2.861 5.994 -7.343 80 HG21 ILE 27 HG21 ILE 27 -6.213 7.551 -6.961 81 HG22 ILE 27 HG22 ILE 27 -7.077 6.020 -6.820 82 HG23 ILE 27 HG23 ILE 27 -6.381 6.502 -8.368 83 HD11 ILE 27 HD11 ILE 27 -2.987 7.116 -9.485 84 HD12 ILE 27 HD12 ILE 27 -4.746 7.174 -9.370 85 HD13 ILE 27 HD13 ILE 27 -3.923 5.621 -9.512 86 H GLY 28 HN GLY 28 -6.238 7.132 -3.833 87 HA2 GLY 28 HA2 GLY 28 -7.862 4.934 -2.928 88 HA3 GLY 28 HA1 GLY 28 -8.025 6.617 -2.456 89 H GLN 29 HN GLN 29 -10.358 6.097 -2.631 90 HA GLN 29 HA GLN 29 -11.246 6.228 -5.435 91 HB2 GLN 29 HB2 GLN 29 -11.862 4.245 -3.749 92 HB3 GLN 29 HB1 GLN 29 -13.156 5.365 -3.333 93 HG2 GLN 29 HG2 GLN 29 -13.714 3.697 -5.106 94 HG3 GLN 29 HG1 GLN 29 -13.973 5.385 -5.552 95 HE21 GLN 29 HE21 GLN 29 -13.138 6.050 -7.402 96 HE22 GLN 29 HE22 GLN 29 -11.895 5.253 -8.299 97 H ASP 30 HN ASP 30 -10.512 8.548 -4.238 98 HA ASP 30 HA ASP 30 -12.872 10.119 -4.481 99 HB2 ASP 30 HB2 ASP 30 -12.633 11.159 -2.160 100 HB3 ASP 30 HB1 ASP 30 -13.349 9.553 -2.225 101 H SER 31 HN SER 31 -10.180 9.793 -5.534 102 HA SER 31 HA SER 31 -8.616 11.088 -6.510 103 HB2 SER 31 HB2 SER 31 -10.368 12.785 -6.764 104 HB3 SER 31 HB1 SER 31 -9.998 13.410 -5.157 105 HG SER 31 HG SER 31 -7.747 13.580 -6.130 106 H SER 32 HN SER 32 -8.593 10.203 -3.532 107 HA SER 32 HA SER 32 -6.544 11.922 -2.408 108 HB2 SER 32 HB2 SER 32 -8.150 10.971 -0.863 109 HB3 SER 32 HB1 SER 32 -7.827 9.344 -1.461 110 HG SER 32 HG SER 32 -5.525 10.432 -0.683 111 H GLU 33 HN GLU 33 -4.655 11.735 -3.545 112 HA GLU 33 HA GLU 33 -3.624 9.017 -4.022 113 HB2 GLU 33 HB2 GLU 33 -3.876 10.337 -6.066 114 HB3 GLU 33 HB1 GLU 33 -2.880 11.615 -5.383 115 HG2 GLU 33 HG2 GLU 33 -0.988 10.022 -5.277 116 HG3 GLU 33 HG1 GLU 33 -1.998 8.822 -6.082 117 H ILE 34 HN ILE 34 -1.868 8.354 -2.985 118 HA ILE 34 HA ILE 34 -0.115 10.330 -1.688 119 HB ILE 34 HB ILE 34 -0.976 7.758 -0.349 120 HG12 ILE 34 HG12 ILE 34 -1.897 10.470 0.549 121 HG13 ILE 34 HG11 ILE 34 -2.783 9.615 -0.709 122 HG21 ILE 34 HG21 ILE 34 0.019 8.760 1.644 123 HG22 ILE 34 HG22 ILE 34 0.464 10.186 0.709 124 HG23 ILE 34 HG23 ILE 34 1.198 8.625 0.339 125 HD11 ILE 34 HD11 ILE 34 -3.748 9.267 1.506 126 HD12 ILE 34 HD12 ILE 34 -2.228 8.560 2.054 127 HD13 ILE 34 HD13 ILE 34 -3.172 7.759 0.798 128 H HIS 35 HN HIS 35 2.034 9.915 -1.998 129 HA HIS 35 HA HIS 35 2.699 7.501 -3.509 130 HB2 HIS 35 HB2 HIS 35 4.273 9.984 -2.842 131 HB3 HIS 35 HB1 HIS 35 5.007 8.583 -3.610 132 HD1 HIS 35 HD1 HIS 35 5.426 10.512 -5.543 133 HD2 HIS 35 HD2 HIS 35 1.546 9.121 -5.026 134 HE1 HIS 35 HE1 HIS 35 4.159 11.146 -7.638 135 H PHE 36 HN PHE 36 3.870 5.822 -2.769 136 HA PHE 36 HA PHE 36 4.626 5.895 0.079 137 HB2 PHE 36 HB2 PHE 36 3.490 3.726 -1.657 138 HB3 PHE 36 HB1 PHE 36 4.397 3.316 -0.210 139 HD1 PHE 36 HD1 PHE 36 2.378 6.347 -0.166 140 HD2 PHE 36 HD2 PHE 36 2.416 2.170 0.637 141 HE1 PHE 36 HE1 PHE 36 0.334 6.587 1.178 142 HE2 PHE 36 HE2 PHE 36 0.374 2.404 1.981 143 HZ PHE 36 HZ PHE 36 -0.669 4.615 2.254 144 H LYS 37 HN LYS 37 6.539 4.983 0.760 145 HA LYS 37 HA LYS 37 8.411 4.019 -1.299 146 HB2 LYS 37 HB2 LYS 37 8.997 5.875 1.022 147 HB3 LYS 37 HB1 LYS 37 10.243 5.063 0.086 148 HG2 LYS 37 HG2 LYS 37 9.482 6.221 -1.929 149 HG3 LYS 37 HG1 LYS 37 8.245 7.047 -0.978 150 HD2 LYS 37 HD2 LYS 37 10.011 8.054 0.408 151 HD3 LYS 37 HD1 LYS 37 11.231 7.253 -0.584 152 HE2 LYS 37 HE2 LYS 37 10.440 8.480 -2.547 153 HE3 LYS 37 HE1 LYS 37 9.214 9.273 -1.560 154 HZ1 LYS 37 HZ1 LYS 37 12.155 9.528 -1.223 155 HZ2 LYS 37 HZ2 LYS 37 10.994 10.260 -0.235 156 HZ3 LYS 37 HZ3 LYS 37 11.119 10.705 -1.862 157 H VAL 38 HN VAL 38 8.594 1.897 -0.886 158 HA VAL 38 HA VAL 38 8.926 1.045 1.918 159 HB VAL 38 HB VAL 38 7.280 -0.304 -0.230 160 HG11 VAL 38 HG11 VAL 38 8.547 -1.954 1.109 161 HG12 VAL 38 HG12 VAL 38 6.801 -2.071 1.333 162 HG13 VAL 38 HG13 VAL 38 7.798 -1.300 2.565 163 HG21 VAL 38 HG21 VAL 38 6.133 1.535 0.842 164 HG22 VAL 38 HG22 VAL 38 6.519 0.881 2.434 165 HG23 VAL 38 HG23 VAL 38 5.432 0.003 1.359 166 H LYS 39 HN LYS 39 10.547 -0.389 2.330 167 HA LYS 39 HA LYS 39 12.470 -0.937 0.305 168 HB2 LYS 39 HB2 LYS 39 12.142 -2.083 3.084 169 HB3 LYS 39 HB1 LYS 39 13.539 -2.364 2.055 170 HG2 LYS 39 HG2 LYS 39 12.647 0.369 2.934 171 HG3 LYS 39 HG1 LYS 39 13.836 -0.601 3.800 172 HD2 LYS 39 HD2 LYS 39 15.102 -0.714 1.583 173 HD3 LYS 39 HD1 LYS 39 14.033 0.582 1.045 174 HE2 LYS 39 HE2 LYS 39 14.757 1.928 2.993 175 HE3 LYS 39 HE1 LYS 39 15.895 0.649 3.416 176 HZ1 LYS 39 HZ1 LYS 39 17.012 0.986 1.308 177 HZ2 LYS 39 HZ2 LYS 39 16.960 2.434 2.180 178 HZ3 LYS 39 HZ3 LYS 39 15.907 2.194 0.879 179 H MET 40 HN MET 40 13.045 -2.952 -0.627 180 HA MET 40 HA MET 40 10.756 -4.666 -1.096 181 HB2 MET 40 HB2 MET 40 13.513 -4.596 -2.315 182 HB3 MET 40 HB1 MET 40 12.267 -5.745 -2.784 183 HG2 MET 40 HG2 MET 40 10.810 -3.823 -3.384 184 HG3 MET 40 HG1 MET 40 12.168 -2.751 -3.056 185 HE1 MET 40 HE1 MET 40 14.719 -3.674 -5.827 186 HE2 MET 40 HE2 MET 40 14.678 -4.319 -4.187 187 HE3 MET 40 HE3 MET 40 14.336 -2.613 -4.470 188 H THR 41 HN THR 41 12.549 -4.673 1.442 189 HA THR 41 HA THR 41 13.216 -7.537 1.440 190 HB THR 41 HB THR 41 14.021 -5.490 3.514 191 HG1 THR 41 HG1 THR 41 15.919 -6.435 1.725 192 HG21 THR 41 HG21 THR 41 14.119 -7.806 4.275 193 HG22 THR 41 HG22 THR 41 15.745 -7.153 4.075 194 HG23 THR 41 HG23 THR 41 15.078 -8.244 2.860 195 H THR 42 HN THR 42 11.479 -5.038 3.234 196 HA THR 42 HA THR 42 10.406 -6.900 5.153 197 HB THR 42 HB THR 42 9.029 -4.927 5.887 198 HG1 THR 42 HG1 THR 42 9.333 -3.958 3.635 199 HG21 THR 42 HG21 THR 42 12.013 -4.498 5.688 200 HG22 THR 42 HG22 THR 42 11.181 -5.430 6.933 201 HG23 THR 42 HG23 THR 42 10.932 -3.687 6.821 202 H HIS 43 HN HIS 43 8.209 -7.451 5.403 203 HA HIS 43 HA HIS 43 6.857 -8.103 3.011 204 HB2 HIS 43 HB2 HIS 43 5.908 -8.130 5.881 205 HB3 HIS 43 HB1 HIS 43 4.991 -8.795 4.534 206 HD1 HIS 43 HD1 HIS 43 7.098 -9.920 7.131 207 HD2 HIS 43 HD2 HIS 43 6.812 -10.770 3.076 208 HE1 HIS 43 HE1 HIS 43 8.217 -12.163 6.796 209 H LEU 44 HN LEU 44 4.646 -7.495 2.447 210 HA LEU 44 HA LEU 44 4.355 -4.628 2.447 211 HB2 LEU 44 HB2 LEU 44 2.667 -6.813 1.237 212 HB3 LEU 44 HB1 LEU 44 2.371 -5.100 1.013 213 HG LEU 44 HG LEU 44 4.886 -6.528 0.153 214 HD11 LEU 44 HD11 LEU 44 4.047 -6.518 -2.052 215 HD12 LEU 44 HD12 LEU 44 2.673 -5.507 -1.605 216 HD13 LEU 44 HD13 LEU 44 2.759 -7.176 -1.044 217 HD21 LEU 44 HD21 LEU 44 5.292 -4.197 0.611 218 HD22 LEU 44 HD22 LEU 44 3.878 -3.728 -0.332 219 HD23 LEU 44 HD23 LEU 44 5.272 -4.450 -1.134 220 H LYS 45 HN LYS 45 3.565 -6.872 4.679 221 HA LYS 45 HA LYS 45 0.896 -6.134 5.330 222 HB2 LYS 45 HB2 LYS 45 2.024 -8.266 6.038 223 HB3 LYS 45 HB1 LYS 45 2.972 -7.320 7.178 224 HG2 LYS 45 HG2 LYS 45 1.070 -6.753 8.446 225 HG3 LYS 45 HG1 LYS 45 -0.028 -7.318 7.187 226 HD2 LYS 45 HD2 LYS 45 0.798 -9.617 7.546 227 HD3 LYS 45 HD1 LYS 45 1.811 -9.020 8.863 228 HE2 LYS 45 HE2 LYS 45 -0.069 -8.424 10.165 229 HE3 LYS 45 HE1 LYS 45 -1.166 -8.612 8.798 230 HZ1 LYS 45 HZ1 LYS 45 -1.301 -10.470 10.351 231 HZ2 LYS 45 HZ2 LYS 45 0.334 -10.822 10.095 232 HZ3 LYS 45 HZ3 LYS 45 -0.774 -10.977 8.825 233 H LYS 46 HN LYS 46 4.073 -4.946 6.198 234 HA LYS 46 HA LYS 46 3.244 -3.266 8.337 235 HB2 LYS 46 HB2 LYS 46 5.686 -3.158 6.555 236 HB3 LYS 46 HB1 LYS 46 5.457 -2.157 7.983 237 HG2 LYS 46 HG2 LYS 46 5.515 -5.167 8.007 238 HG3 LYS 46 HG1 LYS 46 6.900 -4.132 8.362 239 HD2 LYS 46 HD2 LYS 46 5.690 -3.142 10.237 240 HD3 LYS 46 HD1 LYS 46 4.286 -4.147 9.871 241 HE2 LYS 46 HE2 LYS 46 5.603 -6.155 10.309 242 HE3 LYS 46 HE1 LYS 46 7.017 -5.159 10.655 243 HZ1 LYS 46 HZ1 LYS 46 5.900 -5.874 12.679 244 HZ2 LYS 46 HZ2 LYS 46 4.470 -5.118 12.184 245 HZ3 LYS 46 HZ3 LYS 46 5.843 -4.191 12.524 246 H LEU 47 HN LEU 47 3.443 -2.948 4.881 247 HA LEU 47 HA LEU 47 3.072 -0.135 4.708 248 HB2 LEU 47 HB2 LEU 47 3.940 -1.061 2.770 249 HB3 LEU 47 HB1 LEU 47 2.902 -2.467 2.850 250 HG LEU 47 HG LEU 47 1.491 0.067 2.329 251 HD11 LEU 47 HD11 LEU 47 2.171 0.098 -0.039 252 HD12 LEU 47 HD12 LEU 47 3.408 -1.106 0.320 253 HD13 LEU 47 HD13 LEU 47 3.499 0.497 1.050 254 HD21 LEU 47 HD21 LEU 47 0.326 -1.330 0.707 255 HD22 LEU 47 HD22 LEU 47 0.394 -2.128 2.279 256 HD23 LEU 47 HD23 LEU 47 1.480 -2.636 0.984 257 H LYS 48 HN LYS 48 0.958 -2.927 4.753 258 HA LYS 48 HA LYS 48 -1.476 -1.578 4.221 259 HB2 LYS 48 HB2 LYS 48 -0.856 -4.102 4.089 260 HB3 LYS 48 HB1 LYS 48 -1.274 -4.127 5.794 261 HG2 LYS 48 HG2 LYS 48 -3.524 -3.371 5.277 262 HG3 LYS 48 HG1 LYS 48 -3.110 -3.282 3.563 263 HD2 LYS 48 HD2 LYS 48 -2.747 -5.659 3.472 264 HD3 LYS 48 HD1 LYS 48 -2.954 -5.800 5.217 265 HE2 LYS 48 HE2 LYS 48 -5.288 -4.970 4.933 266 HE3 LYS 48 HE1 LYS 48 -5.049 -5.044 3.188 267 HZ1 LYS 48 HZ1 LYS 48 -4.831 -7.351 5.046 268 HZ2 LYS 48 HZ2 LYS 48 -4.650 -7.411 3.366 269 HZ3 LYS 48 HZ3 LYS 48 -6.153 -7.026 4.041 270 H GLU 49 HN GLU 49 0.317 -2.306 7.155 271 HA GLU 49 HA GLU 49 -1.765 -1.648 8.985 272 HB2 GLU 49 HB2 GLU 49 1.221 -1.919 9.305 273 HB3 GLU 49 HB1 GLU 49 0.153 -1.532 10.646 274 HG2 GLU 49 HG2 GLU 49 -0.970 -3.626 10.446 275 HG3 GLU 49 HG1 GLU 49 -0.121 -3.995 8.946 276 H SER 50 HN SER 50 1.062 0.135 7.782 277 HA SER 50 HA SER 50 0.598 2.447 9.352 278 HB2 SER 50 HB2 SER 50 2.188 3.517 7.660 279 HB3 SER 50 HB1 SER 50 2.803 2.139 8.570 280 HG SER 50 HG SER 50 2.696 0.897 6.805 281 H TYR 51 HN TYR 51 -0.480 1.491 6.136 282 HA TYR 51 HA TYR 51 -1.491 4.054 5.411 283 HB2 TYR 51 HB2 TYR 51 -0.960 2.418 3.697 284 HB3 TYR 51 HB1 TYR 51 -2.150 1.299 4.351 285 HD1 TYR 51 HD1 TYR 51 -2.241 4.931 3.421 286 HD2 TYR 51 HD2 TYR 51 -3.935 1.062 2.927 287 HE1 TYR 51 HE1 TYR 51 -3.947 5.876 1.926 288 HE2 TYR 51 HE2 TYR 51 -5.647 1.996 1.430 289 HH TYR 51 HH TYR 51 -5.446 5.144 0.146 290 H CYS 52 HN CYS 52 -2.873 1.231 7.003 291 HA CYS 52 HA CYS 52 -5.567 2.127 6.926 292 HB2 CYS 52 HB2 CYS 52 -4.119 0.012 8.484 293 HB3 CYS 52 HB1 CYS 52 -5.803 0.392 8.830 294 HG CYS 52 HG CYS 52 -6.843 -0.472 6.504 295 H GLN 53 HN GLN 53 -2.956 2.577 9.264 296 HA GLN 53 HA GLN 53 -4.707 3.693 11.252 297 HB2 GLN 53 HB2 GLN 53 -2.656 4.237 12.490 298 HB3 GLN 53 HB1 GLN 53 -2.677 2.561 11.964 299 HG2 GLN 53 HG2 GLN 53 -0.572 3.006 11.345 300 HG3 GLN 53 HG1 GLN 53 -1.346 3.682 9.913 301 HE21 GLN 53 HE21 GLN 53 0.296 5.136 9.524 302 HE22 GLN 53 HE22 GLN 53 0.579 6.518 10.523 303 H ARG 54 HN ARG 54 -2.826 4.923 8.604 304 HA ARG 54 HA ARG 54 -2.978 7.676 9.452 305 HB2 ARG 54 HB2 ARG 54 -1.054 6.968 8.175 306 HB3 ARG 54 HB1 ARG 54 -2.077 6.374 6.877 307 HG2 ARG 54 HG2 ARG 54 -1.099 8.433 6.184 308 HG3 ARG 54 HG1 ARG 54 -2.818 8.712 6.471 309 HD2 ARG 54 HD2 ARG 54 -1.632 10.550 7.411 310 HD3 ARG 54 HD1 ARG 54 -2.211 9.558 8.747 311 HE ARG 54 HE ARG 54 0.501 9.043 7.844 312 HH11 ARG 54 HH11 ARG 54 -1.581 10.665 10.126 313 HH12 ARG 54 HH12 ARG 54 -0.326 10.905 11.294 314 HH21 ARG 54 HH21 ARG 54 2.158 9.364 9.374 315 HH22 ARG 54 HH22 ARG 54 1.800 10.164 10.867 316 H GLN 55 HN GLN 55 -4.840 5.508 7.468 317 HA GLN 55 HA GLN 55 -6.421 7.715 6.376 318 HB2 GLN 55 HB2 GLN 55 -5.520 5.738 4.995 319 HB3 GLN 55 HB1 GLN 55 -6.795 4.796 5.753 320 HG2 GLN 55 HG2 GLN 55 -7.540 5.531 3.606 321 HG3 GLN 55 HG1 GLN 55 -8.454 6.387 4.847 322 HE21 GLN 55 HE21 GLN 55 -8.189 8.582 5.092 323 HE22 GLN 55 HE22 GLN 55 -7.342 9.558 3.945 324 H GLY 56 HN GLY 56 -6.529 5.530 8.989 325 HA2 GLY 56 HA2 GLY 56 -8.172 5.095 10.537 326 HA3 GLY 56 HA1 GLY 56 -9.072 6.426 9.836 327 H VAL 57 HN VAL 57 -8.131 3.136 8.812 328 HA VAL 57 HA VAL 57 -10.945 2.443 8.446 329 HB VAL 57 HB VAL 57 -8.917 2.366 6.198 330 HG11 VAL 57 HG11 VAL 57 -10.801 1.438 4.872 331 HG12 VAL 57 HG12 VAL 57 -11.714 1.263 6.369 332 HG13 VAL 57 HG13 VAL 57 -10.218 0.357 6.135 333 HG21 VAL 57 HG21 VAL 57 -10.497 3.842 5.054 334 HG22 VAL 57 HG22 VAL 57 -9.928 4.560 6.562 335 HG23 VAL 57 HG23 VAL 57 -11.535 3.838 6.480 336 HA PRO 58 HA PRO 58 -9.258 -1.240 10.322 337 HB2 PRO 58 HB2 PRO 58 -11.247 -2.957 9.633 338 HB3 PRO 58 HB1 PRO 58 -11.369 -1.788 10.958 339 HG2 PRO 58 HG2 PRO 58 -12.234 -1.456 8.126 340 HG3 PRO 58 HG1 PRO 58 -13.236 -1.234 9.560 341 HD2 PRO 58 HD2 PRO 58 -12.158 0.901 8.477 342 HD3 PRO 58 HD1 PRO 58 -11.959 0.672 10.230 343 H MET 59 HN MET 59 -7.927 -2.783 9.751 344 HA MET 59 HA MET 59 -6.629 -2.995 7.421 345 HB2 MET 59 HB2 MET 59 -6.107 -4.127 9.598 346 HB3 MET 59 HB1 MET 59 -7.239 -5.388 9.147 347 HG2 MET 59 HG2 MET 59 -5.105 -6.221 8.640 348 HG3 MET 59 HG1 MET 59 -5.815 -5.758 7.092 349 HE1 MET 59 HE1 MET 59 -4.369 -2.857 9.562 350 HE2 MET 59 HE2 MET 59 -2.676 -3.328 9.424 351 HE3 MET 59 HE3 MET 59 -3.852 -4.459 10.090 352 H ASN 60 HN ASN 60 -9.673 -4.593 8.107 353 HA ASN 60 HA ASN 60 -9.593 -6.245 5.755 354 HB2 ASN 60 HB2 ASN 60 -11.853 -6.928 6.422 355 HB3 ASN 60 HB1 ASN 60 -10.724 -7.033 7.769 356 HD21 ASN 60 HD21 ASN 60 -13.726 -6.016 6.841 357 HD22 ASN 60 HD22 ASN 60 -14.055 -4.898 8.117 358 H SER 61 HN SER 61 -11.712 -3.619 6.819 359 HA SER 61 HA SER 61 -13.495 -3.141 5.056 360 HB2 SER 61 HB2 SER 61 -12.858 -1.538 6.718 361 HB3 SER 61 HB1 SER 61 -11.499 -0.982 5.761 362 HG SER 61 HG SER 61 -14.215 -0.474 5.577 363 H LEU 62 HN LEU 62 -10.104 -2.621 4.080 364 HA LEU 62 HA LEU 62 -11.081 -1.968 1.401 365 HB2 LEU 62 HB2 LEU 62 -8.220 -1.899 2.267 366 HB3 LEU 62 HB1 LEU 62 -8.974 -1.060 0.931 367 HG LEU 62 HG LEU 62 -9.306 -0.414 3.861 368 HD11 LEU 62 HD11 LEU 62 -8.070 1.207 1.651 369 HD12 LEU 62 HD12 LEU 62 -7.138 0.122 2.680 370 HD13 LEU 62 HD13 LEU 62 -7.990 1.494 3.388 371 HD21 LEU 62 HD21 LEU 62 -10.479 1.622 2.891 372 HD22 LEU 62 HD22 LEU 62 -11.380 0.107 2.844 373 HD23 LEU 62 HD23 LEU 62 -10.597 0.713 1.384 374 H ARG 63 HN ARG 63 -8.801 -2.592 -0.028 375 HA ARG 63 HA ARG 63 -7.948 -5.293 0.131 376 HB2 ARG 63 HB2 ARG 63 -10.208 -5.825 -0.642 377 HB3 ARG 63 HB1 ARG 63 -10.098 -4.604 -1.903 378 HG2 ARG 63 HG2 ARG 63 -8.171 -5.946 -2.846 379 HG3 ARG 63 HG1 ARG 63 -8.644 -7.225 -1.728 380 HD2 ARG 63 HD2 ARG 63 -10.597 -5.990 -3.649 381 HD3 ARG 63 HD1 ARG 63 -9.555 -7.326 -4.120 382 HE ARG 63 HE ARG 63 -10.897 -8.033 -1.767 383 HH11 ARG 63 HH11 ARG 63 -11.574 -7.398 -5.126 384 HH12 ARG 63 HH12 ARG 63 -12.947 -8.453 -5.187 385 HH21 ARG 63 HH21 ARG 63 -12.695 -9.448 -1.842 386 HH22 ARG 63 HH22 ARG 63 -13.584 -9.619 -3.318 387 H PHE 64 HN PHE 64 -6.071 -5.365 -1.078 388 HA PHE 64 HA PHE 64 -5.573 -3.072 -2.865 389 HB2 PHE 64 HB2 PHE 64 -3.515 -4.698 -1.364 390 HB3 PHE 64 HB1 PHE 64 -3.231 -3.224 -2.282 391 HD1 PHE 64 HD1 PHE 64 -5.322 -4.444 0.566 392 HD2 PHE 64 HD2 PHE 64 -3.066 -1.248 -1.124 393 HE1 PHE 64 HE1 PHE 64 -5.741 -3.093 2.593 394 HE2 PHE 64 HE2 PHE 64 -3.478 0.114 0.895 395 HZ PHE 64 HZ PHE 64 -4.821 -0.810 2.759 396 H LEU 65 HN LEU 65 -4.655 -3.393 -4.873 397 HA LEU 65 HA LEU 65 -4.246 -6.193 -5.677 398 HB2 LEU 65 HB2 LEU 65 -5.530 -4.136 -7.436 399 HB3 LEU 65 HB1 LEU 65 -5.387 -5.851 -7.724 400 HG LEU 65 HG LEU 65 -7.174 -4.549 -5.668 401 HD11 LEU 65 HD11 LEU 65 -8.960 -5.139 -7.143 402 HD12 LEU 65 HD12 LEU 65 -7.864 -6.018 -8.208 403 HD13 LEU 65 HD13 LEU 65 -7.758 -4.262 -8.090 404 HD21 LEU 65 HD21 LEU 65 -6.410 -6.727 -4.899 405 HD22 LEU 65 HD22 LEU 65 -6.820 -7.444 -6.458 406 HD23 LEU 65 HD23 LEU 65 -8.095 -6.826 -5.410 407 H PHE 66 HN PHE 66 -3.034 -6.532 -7.618 408 HA PHE 66 HA PHE 66 -1.405 -4.368 -8.665 409 HB2 PHE 66 HB2 PHE 66 -0.087 -5.141 -6.731 410 HB3 PHE 66 HB1 PHE 66 -0.179 -6.796 -7.321 411 HD1 PHE 66 HD1 PHE 66 0.695 -3.483 -8.807 412 HD2 PHE 66 HD2 PHE 66 1.803 -7.548 -8.183 413 HE1 PHE 66 HE1 PHE 66 2.738 -3.124 -10.151 414 HE2 PHE 66 HE2 PHE 66 3.852 -7.207 -9.527 415 HZ PHE 66 HZ PHE 66 4.319 -4.990 -10.516 416 H GLU 67 HN GLU 67 -0.677 -4.845 -10.758 417 HA GLU 67 HA GLU 67 -0.934 -5.777 -12.844 418 HB2 GLU 67 HB2 GLU 67 -0.245 -8.184 -11.152 419 HB3 GLU 67 HB1 GLU 67 -0.401 -8.274 -12.896 420 HG2 GLU 67 HG2 GLU 67 1.426 -6.650 -13.128 421 HG3 GLU 67 HG1 GLU 67 1.593 -6.609 -11.373 422 H GLY 68 HN GLY 68 -3.303 -5.475 -11.152 423 HA2 GLY 68 HA2 GLY 68 -5.553 -5.873 -11.638 424 HA3 GLY 68 HA1 GLY 68 -5.066 -7.208 -12.677 425 H GLN 69 HN GLN 69 -3.556 -8.742 -10.909 426 HA GLN 69 HA GLN 69 -5.687 -9.953 -9.432 427 HB2 GLN 69 HB2 GLN 69 -2.800 -10.707 -9.786 428 HB3 GLN 69 HB1 GLN 69 -3.914 -11.632 -8.787 429 HG2 GLN 69 HG2 GLN 69 -5.398 -11.754 -10.863 430 HG3 GLN 69 HG1 GLN 69 -3.983 -11.200 -11.754 431 HE21 GLN 69 HE21 GLN 69 -5.671 -13.847 -10.971 432 HE22 GLN 69 HE22 GLN 69 -4.426 -15.044 -11.027 433 H ARG 70 HN ARG 70 -5.816 -10.451 -7.287 434 HA ARG 70 HA ARG 70 -5.421 -8.420 -5.485 435 HB2 ARG 70 HB2 ARG 70 -6.998 -10.345 -5.307 436 HB3 ARG 70 HB1 ARG 70 -5.646 -11.339 -4.793 437 HG2 ARG 70 HG2 ARG 70 -5.444 -10.236 -2.770 438 HG3 ARG 70 HG1 ARG 70 -6.349 -8.829 -3.340 439 HD2 ARG 70 HD2 ARG 70 -8.332 -10.376 -3.585 440 HD3 ARG 70 HD1 ARG 70 -7.393 -11.569 -2.684 441 HE ARG 70 HE ARG 70 -7.310 -9.327 -1.137 442 HH11 ARG 70 HH11 ARG 70 -9.861 -11.253 -2.515 443 HH12 ARG 70 HH12 ARG 70 -10.984 -10.911 -1.241 444 HH21 ARG 70 HH21 ARG 70 -8.779 -8.858 0.543 445 HH22 ARG 70 HH22 ARG 70 -10.369 -9.543 0.499 446 H ILE 71 HN ILE 71 -4.278 -8.587 -3.353 447 HA ILE 71 HA ILE 71 -1.510 -9.489 -3.786 448 HB ILE 71 HB ILE 71 -2.530 -7.039 -2.360 449 HG12 ILE 71 HG12 ILE 71 -0.531 -7.482 -4.590 450 HG13 ILE 71 HG11 ILE 71 -2.168 -6.865 -4.781 451 HG21 ILE 71 HG21 ILE 71 -0.877 -8.109 -0.923 452 HG22 ILE 71 HG22 ILE 71 -0.223 -6.634 -1.635 453 HG23 ILE 71 HG23 ILE 71 0.251 -8.206 -2.276 454 HD11 ILE 71 HD11 ILE 71 -0.731 -5.005 -4.897 455 HD12 ILE 71 HD12 ILE 71 0.178 -5.520 -3.478 456 HD13 ILE 71 HD13 ILE 71 -1.478 -4.941 -3.302 457 H ALA 72 HN ALA 72 -0.752 -10.920 -2.455 458 HA ALA 72 HA ALA 72 -2.191 -12.069 -0.331 459 HB1 ALA 72 HB1 ALA 72 -0.515 -13.319 -1.652 460 HB2 ALA 72 HB2 ALA 72 -0.180 -13.402 0.078 461 HB3 ALA 72 HB3 ALA 72 0.763 -12.325 -0.952 462 H ASP 73 HN ASP 73 -1.702 -12.054 1.901 463 HA ASP 73 HA ASP 73 -1.029 -9.474 2.907 464 HB2 ASP 73 HB2 ASP 73 -2.700 -11.248 3.811 465 HB3 ASP 73 HB1 ASP 73 -1.287 -11.934 4.606 466 H ASN 74 HN ASN 74 0.733 -12.373 2.332 467 HA ASN 74 HA ASN 74 2.989 -11.479 3.991 468 HB2 ASN 74 HB2 ASN 74 2.325 -14.143 2.734 469 HB3 ASN 74 HB1 ASN 74 3.884 -13.796 3.475 470 HD21 ASN 74 HD21 ASN 74 2.075 -11.988 5.301 471 HD22 ASN 74 HD22 ASN 74 1.566 -13.105 6.516 472 H HIS 75 HN HIS 75 1.876 -11.140 0.953 473 HA HIS 75 HA HIS 75 3.916 -11.745 -0.804 474 HB2 HIS 75 HB2 HIS 75 1.519 -10.259 -0.857 475 HB3 HIS 75 HB1 HIS 75 2.771 -9.185 -1.468 476 HD1 HIS 75 HD1 HIS 75 4.441 -10.797 -3.230 477 HD2 HIS 75 HD2 HIS 75 0.376 -11.518 -2.969 478 HE1 HIS 75 HE1 HIS 75 3.813 -11.984 -5.363 479 H THR 76 HN THR 76 5.279 -10.097 -1.974 480 HA THR 76 HA THR 76 6.244 -7.716 -0.825 481 HB THR 76 HB THR 76 7.961 -10.187 -0.321 482 HG1 THR 76 HG1 THR 76 7.873 -9.257 1.878 483 HG21 THR 76 HG21 THR 76 9.215 -8.183 -1.191 484 HG22 THR 76 HG22 THR 76 9.707 -8.719 0.413 485 HG23 THR 76 HG23 THR 76 8.669 -7.305 0.236 486 HA PRO 77 HA PRO 77 7.552 -7.489 -5.060 487 HB2 PRO 77 HB2 PRO 77 10.029 -6.318 -3.799 488 HB3 PRO 77 HB1 PRO 77 9.170 -5.800 -5.264 489 HG2 PRO 77 HG2 PRO 77 8.680 -4.468 -3.081 490 HG3 PRO 77 HG1 PRO 77 7.283 -5.065 -4.009 491 HD2 PRO 77 HD2 PRO 77 8.537 -6.247 -1.527 492 HD3 PRO 77 HD1 PRO 77 6.816 -5.989 -1.885 493 H LYS 78 HN LYS 78 9.187 -9.117 -2.588 494 HA LYS 78 HA LYS 78 11.335 -10.351 -3.923 495 HB2 LYS 78 HB2 LYS 78 11.051 -10.402 -1.473 496 HB3 LYS 78 HB1 LYS 78 9.569 -11.322 -1.650 497 HG2 LYS 78 HG2 LYS 78 10.890 -13.188 -2.600 498 HG3 LYS 78 HG1 LYS 78 12.360 -12.259 -2.283 499 HD2 LYS 78 HD2 LYS 78 11.882 -12.242 0.092 500 HD3 LYS 78 HD1 LYS 78 10.340 -13.053 -0.182 501 HE2 LYS 78 HE2 LYS 78 11.573 -14.996 -1.095 502 HE3 LYS 78 HE1 LYS 78 13.089 -14.185 -0.701 503 HZ1 LYS 78 HZ1 LYS 78 10.993 -14.981 1.252 504 HZ2 LYS 78 HZ2 LYS 78 12.445 -14.202 1.633 505 HZ3 LYS 78 HZ3 LYS 78 12.469 -15.774 1.009 506 H GLU 79 HN GLU 79 7.931 -10.669 -4.027 507 HA GLU 79 HA GLU 79 8.093 -13.124 -5.628 508 HB2 GLU 79 HB2 GLU 79 5.684 -12.077 -4.144 509 HB3 GLU 79 HB1 GLU 79 5.845 -13.635 -4.938 510 HG2 GLU 79 HG2 GLU 79 7.372 -12.723 -2.513 511 HG3 GLU 79 HG1 GLU 79 6.000 -13.832 -2.523 512 H LEU 80 HN LEU 80 6.789 -9.870 -5.433 513 HA LEU 80 HA LEU 80 5.324 -10.157 -7.917 514 HB2 LEU 80 HB2 LEU 80 5.619 -7.892 -5.977 515 HB3 LEU 80 HB1 LEU 80 4.748 -7.739 -7.492 516 HG LEU 80 HG LEU 80 4.052 -9.695 -5.298 517 HD11 LEU 80 HD11 LEU 80 3.624 -7.421 -4.574 518 HD12 LEU 80 HD12 LEU 80 2.101 -8.222 -4.957 519 HD13 LEU 80 HD13 LEU 80 2.800 -7.067 -6.093 520 HD21 LEU 80 HD21 LEU 80 3.007 -9.104 -8.028 521 HD22 LEU 80 HD22 LEU 80 1.895 -9.644 -6.769 522 HD23 LEU 80 HD23 LEU 80 3.262 -10.657 -7.234 523 H GLY 81 HN GLY 81 8.464 -9.244 -7.092 524 HA2 GLY 81 HA2 GLY 81 10.138 -8.164 -8.253 525 HA3 GLY 81 HA1 GLY 81 9.309 -8.774 -9.680 526 H MET 82 HN MET 82 7.798 -6.575 -7.438 527 HA MET 82 HA MET 82 7.066 -4.750 -9.447 528 HB2 MET 82 HB2 MET 82 7.268 -4.269 -6.466 529 HB3 MET 82 HB1 MET 82 6.351 -3.300 -7.608 530 HG2 MET 82 HG2 MET 82 4.975 -5.323 -8.095 531 HG3 MET 82 HG1 MET 82 5.816 -6.135 -6.779 532 HE1 MET 82 HE1 MET 82 4.060 -5.445 -3.814 533 HE2 MET 82 HE2 MET 82 5.491 -4.422 -3.908 534 HE3 MET 82 HE3 MET 82 5.509 -6.032 -4.631 535 H GLU 83 HN GLU 83 8.366 -3.383 -10.515 536 HA GLU 83 HA GLU 83 10.995 -2.709 -9.577 537 HB2 GLU 83 HB2 GLU 83 9.439 -2.407 -12.002 538 HB3 GLU 83 HB1 GLU 83 10.244 -0.900 -11.603 539 HG2 GLU 83 HG2 GLU 83 12.422 -2.037 -11.593 540 HG3 GLU 83 HG1 GLU 83 11.636 -3.578 -11.917 541 H GLU 84 HN GLU 84 10.875 0.123 -10.443 542 HA GLU 84 HA GLU 84 9.674 1.205 -7.987 543 HB2 GLU 84 HB2 GLU 84 11.294 2.723 -10.044 544 HB3 GLU 84 HB1 GLU 84 10.979 3.180 -8.381 545 HG2 GLU 84 HG2 GLU 84 13.149 2.515 -8.227 546 HG3 GLU 84 HG1 GLU 84 12.333 0.997 -7.854 547 H GLU 85 HN GLU 85 8.518 3.368 -8.342 548 HA GLU 85 HA GLU 85 6.879 4.626 -9.289 549 HB2 GLU 85 HB2 GLU 85 8.471 4.799 -11.170 550 HB3 GLU 85 HB1 GLU 85 7.763 3.359 -11.883 551 HG2 GLU 85 HG2 GLU 85 6.910 5.284 -13.006 552 HG3 GLU 85 HG1 GLU 85 5.608 4.561 -12.060 553 H ASP 86 HN ASP 86 6.750 1.346 -9.130 554 HA ASP 86 HA ASP 86 4.617 0.503 -10.637 555 HB2 ASP 86 HB2 ASP 86 5.809 -0.316 -8.079 556 HB3 ASP 86 HB1 ASP 86 4.125 -0.790 -8.282 557 H VAL 87 HN VAL 87 2.429 -0.164 -9.632 558 HA VAL 87 HA VAL 87 1.288 2.028 -8.050 559 HB VAL 87 HB VAL 87 0.190 1.035 -10.695 560 HG11 VAL 87 HG11 VAL 87 -1.610 1.292 -9.058 561 HG12 VAL 87 HG12 VAL 87 -1.691 2.554 -10.287 562 HG13 VAL 87 HG13 VAL 87 -1.047 2.922 -8.686 563 HG21 VAL 87 HG21 VAL 87 2.009 2.769 -10.711 564 HG22 VAL 87 HG22 VAL 87 0.909 3.832 -9.835 565 HG23 VAL 87 HG23 VAL 87 0.493 3.277 -11.454 566 H ILE 88 HN ILE 88 -0.476 1.465 -6.808 567 HA ILE 88 HA ILE 88 -1.387 -1.334 -6.929 568 HB ILE 88 HB ILE 88 -0.739 0.232 -4.401 569 HG12 ILE 88 HG12 ILE 88 0.357 -2.343 -5.563 570 HG13 ILE 88 HG11 ILE 88 1.230 -0.826 -5.373 571 HG21 ILE 88 HG21 ILE 88 -2.015 -2.491 -4.721 572 HG22 ILE 88 HG22 ILE 88 -2.840 -1.028 -4.184 573 HG23 ILE 88 HG23 ILE 88 -1.564 -1.735 -3.192 574 HD11 ILE 88 HD11 ILE 88 0.211 -2.576 -3.139 575 HD12 ILE 88 HD12 ILE 88 1.061 -1.044 -2.935 576 HD13 ILE 88 HD13 ILE 88 1.887 -2.421 -3.668 577 H GLU 89 HN GLU 89 -3.561 -1.537 -6.741 578 HA GLU 89 HA GLU 89 -5.122 0.946 -6.498 579 HB2 GLU 89 HB2 GLU 89 -5.274 -1.342 -8.248 580 HB3 GLU 89 HB1 GLU 89 -6.742 -1.216 -7.305 581 HG2 GLU 89 HG2 GLU 89 -7.242 -0.017 -9.211 582 HG3 GLU 89 HG1 GLU 89 -6.789 1.233 -8.052 583 H VAL 90 HN VAL 90 -6.746 1.086 -4.969 584 HA VAL 90 HA VAL 90 -7.038 -1.227 -3.139 585 HB VAL 90 HB VAL 90 -7.412 1.681 -2.340 586 HG11 VAL 90 HG11 VAL 90 -7.172 0.696 -0.047 587 HG12 VAL 90 HG12 VAL 90 -7.184 -0.902 -0.791 588 HG13 VAL 90 HG13 VAL 90 -8.598 0.145 -0.927 589 HG21 VAL 90 HG21 VAL 90 -4.994 -0.056 -1.877 590 HG22 VAL 90 HG22 VAL 90 -5.245 1.567 -1.236 591 HG23 VAL 90 HG23 VAL 90 -5.075 1.321 -2.974 592 H TYR 91 HN TYR 91 -9.132 -1.872 -2.860 593 HA TYR 91 HA TYR 91 -11.223 -0.082 -3.911 594 HB2 TYR 91 HB2 TYR 91 -11.042 -3.088 -4.197 595 HB3 TYR 91 HB1 TYR 91 -12.453 -2.130 -4.629 596 HD1 TYR 91 HD1 TYR 91 -8.849 -2.608 -5.427 597 HD2 TYR 91 HD2 TYR 91 -12.637 -1.171 -6.754 598 HE1 TYR 91 HE1 TYR 91 -7.933 -2.293 -7.699 599 HE2 TYR 91 HE2 TYR 91 -11.723 -0.837 -9.028 600 HH TYR 91 HH TYR 91 -9.477 -0.470 -10.084 601 H GLN 92 HN GLN 92 -12.988 0.162 -2.664 602 HA GLN 92 HA GLN 92 -12.955 -0.517 0.065 603 HB2 GLN 92 HB2 GLN 92 -14.319 1.324 -0.697 604 HB3 GLN 92 HB1 GLN 92 -15.162 0.305 -1.845 605 HG2 GLN 92 HG2 GLN 92 -16.610 0.867 -0.016 606 HG3 GLN 92 HG1 GLN 92 -16.260 -0.858 0.011 607 HE21 GLN 92 HE21 GLN 92 -16.828 -1.005 2.176 608 HE22 GLN 92 HE22 GLN 92 -15.812 -0.404 3.436 609 H GLU 93 HN GLU 93 -13.658 -2.401 1.082 610 HA GLU 93 HA GLU 93 -14.178 -4.645 -0.649 611 HB2 GLU 93 HB2 GLU 93 -12.801 -4.689 1.522 612 HB3 GLU 93 HB1 GLU 93 -14.350 -4.714 2.357 613 HG2 GLU 93 HG2 GLU 93 -13.443 -6.964 2.087 614 HG3 GLU 93 HG1 GLU 93 -14.962 -6.772 1.211 615 H GLN 94 HN GLN 94 -16.004 -5.825 -0.824 616 HA GLN 94 HA GLN 94 -18.448 -5.048 0.559 617 HB2 GLN 94 HB2 GLN 94 -19.629 -4.637 -1.561 618 HB3 GLN 94 HB1 GLN 94 -18.296 -3.499 -1.358 619 HG2 GLN 94 HG2 GLN 94 -16.897 -5.060 -2.745 620 HG3 GLN 94 HG1 GLN 94 -18.381 -5.941 -3.106 621 HE21 GLN 94 HE21 GLN 94 -19.436 -5.364 -4.837 622 HE22 GLN 94 HE22 GLN 94 -19.294 -3.852 -5.658 623 H THR 95 HN THR 95 -20.280 -6.453 -0.338 624 HA THR 95 HA THR 95 -19.454 -9.028 -1.462 625 HB THR 95 HB THR 95 -20.626 -10.302 0.276 626 HG1 THR 95 HG1 THR 95 -22.151 -8.771 0.947 627 HG21 THR 95 HG21 THR 95 -19.117 -9.915 2.182 628 HG22 THR 95 HG22 THR 95 -18.637 -8.368 1.483 629 HG23 THR 95 HG23 THR 95 -18.243 -9.872 0.651 630 H GLY 96 HN GLY 96 -21.490 -10.327 -1.981 631 HA2 GLY 96 HA2 GLY 96 -23.330 -8.688 -3.388 632 HA3 GLY 96 HA1 GLY 96 -23.491 -10.420 -3.127 633 H GLY 97 HN GLY 97 -25.805 -9.696 -2.993 634 HA2 GLY 97 HA2 GLY 97 -26.574 -9.496 -0.189 635 HA3 GLY 97 HA1 GLY 97 -27.117 -8.170 -1.219 636 H1 ASP2705 HT1 ASP2705 12.222 -2.842 9.940 637 H2 ASP2705 HT2 ASP2705 12.707 -1.614 10.998 638 H3 ASP2705 HT3 ASP2705 11.091 -1.719 10.510 639 HA ASP2705 HA ASP2705 11.369 -2.527 12.755 640 HB2 ASP2705 HB2 ASP2705 9.683 -3.513 11.128 641 HB3 ASP2705 HB1 ASP2705 10.809 -4.844 10.895 642 H ASN2706 HN ASN2706 12.428 -5.385 10.975 643 HA ASN2706 HA ASN2706 14.563 -5.732 12.936 644 HB2 ASN2706 HB2 ASN2706 12.992 -7.602 12.559 645 HB3 ASN2706 HB1 ASN2706 13.495 -7.674 10.873 646 HD21 ASN2706 HD21 ASN2706 15.411 -8.633 10.342 647 HD22 ASN2706 HD22 ASN2706 16.391 -9.492 11.476 648 H GLU2707 HN GLU2707 14.128 -5.949 9.400 649 HA GLU2707 HA GLU2707 16.994 -5.849 8.980 650 HB2 GLU2707 HB2 GLU2707 14.841 -5.730 6.865 651 HB3 GLU2707 HB1 GLU2707 16.524 -6.186 6.656 652 HG2 GLU2707 HG2 GLU2707 15.666 -8.261 6.690 653 HG3 GLU2707 HG1 GLU2707 15.783 -8.044 8.435 654 H ILE2708 HN ILE2708 14.396 -3.990 7.400 655 HA ILE2708 HA ILE2708 15.890 -1.528 7.956 656 HB ILE2708 HB ILE2708 14.837 -1.011 5.470 657 HG12 ILE2708 HG12 ILE2708 15.882 -3.848 5.543 658 HG13 ILE2708 HG11 ILE2708 14.328 -3.290 4.937 659 HG21 ILE2708 HG21 ILE2708 16.973 -0.244 6.274 660 HG22 ILE2708 HG22 ILE2708 17.193 -1.062 4.727 661 HG23 ILE2708 HG23 ILE2708 17.620 -1.884 6.227 662 HD11 ILE2708 HD11 ILE2708 17.021 -2.773 3.701 663 HD12 ILE2708 HD12 ILE2708 15.491 -2.127 3.109 664 HD13 ILE2708 HD13 ILE2708 15.775 -3.868 3.103 665 H GLU2709 HN GLU2709 14.458 0.423 7.134 666 HA GLU2709 HA GLU2709 11.814 0.002 8.350 667 HB2 GLU2709 HB2 GLU2709 13.456 1.587 9.414 668 HB3 GLU2709 HB1 GLU2709 13.276 2.607 7.993 669 HG2 GLU2709 HG2 GLU2709 10.883 2.824 8.462 670 HG3 GLU2709 HG1 GLU2709 11.086 1.834 9.907 671 H VAL2710 HN VAL2710 9.999 1.172 7.556 672 HA VAL2710 HA VAL2710 10.167 1.867 4.699 673 HB VAL2710 HB VAL2710 7.738 1.179 4.576 674 HG11 VAL2710 HG11 VAL2710 8.306 -1.288 4.575 675 HG12 VAL2710 HG12 VAL2710 9.900 -0.824 5.168 676 HG13 VAL2710 HG13 VAL2710 9.342 -0.250 3.598 677 HG21 VAL2710 HG21 VAL2710 8.360 -0.132 7.226 678 HG22 VAL2710 HG22 VAL2710 6.899 -0.373 6.269 679 HG23 VAL2710 HG23 VAL2710 7.239 1.207 6.976 680 H ILE2711 HN ILE2711 9.858 3.964 4.345 681 HA ILE2711 HA ILE2711 8.228 5.508 6.259 682 HB ILE2711 HB ILE2711 10.225 6.660 4.314 683 HG12 ILE2711 HG12 ILE2711 10.704 5.989 7.225 684 HG13 ILE2711 HG11 ILE2711 11.303 5.032 5.874 685 HG21 ILE2711 HG21 ILE2711 10.168 8.584 5.829 686 HG22 ILE2711 HG22 ILE2711 8.982 7.753 6.836 687 HG23 ILE2711 HG23 ILE2711 8.568 8.216 5.185 688 HD11 ILE2711 HD11 ILE2711 13.025 6.490 6.778 689 HD12 ILE2711 HD12 ILE2711 12.017 7.898 6.448 690 HD13 ILE2711 HD13 ILE2711 12.632 6.922 5.114 691 H ILE2712 HN ILE2712 6.238 5.953 5.533 692 HA ILE2712 HA ILE2712 5.943 6.600 2.680 693 HB ILE2712 HB ILE2712 3.592 5.669 2.865 694 HG12 ILE2712 HG12 ILE2712 4.491 3.778 4.944 695 HG13 ILE2712 HG11 ILE2712 4.136 5.404 5.519 696 HG21 ILE2712 HG21 ILE2712 4.457 3.282 2.619 697 HG22 ILE2712 HG22 ILE2712 6.058 3.977 2.879 698 HG23 ILE2712 HG23 ILE2712 5.072 4.510 1.514 699 HD11 ILE2712 HD11 ILE2712 1.908 5.278 4.599 700 HD12 ILE2712 HD12 ILE2712 2.204 3.908 5.670 701 HD13 ILE2712 HD13 ILE2712 2.253 3.687 3.921 702 H VAL2713 HN VAL2713 5.719 8.763 2.738 703 HA VAL2713 HA VAL2713 3.335 9.813 3.685 704 HB VAL2713 HB VAL2713 4.731 11.827 4.745 705 HG11 VAL2713 HG11 VAL2713 3.881 9.342 6.218 706 HG12 VAL2713 HG12 VAL2713 2.902 10.769 5.882 707 HG13 VAL2713 HG13 VAL2713 4.273 10.880 6.984 708 HG21 VAL2713 HG21 VAL2713 6.382 9.388 5.399 709 HG22 VAL2713 HG22 VAL2713 6.545 10.973 6.156 710 HG23 VAL2713 HG23 VAL2713 6.900 10.776 4.440 711 H TRP2714 HN TRP2714 2.656 10.831 1.969 712 HA TRP2714 HA TRP2714 4.560 12.106 0.182 713 HB2 TRP2714 HB2 TRP2714 2.654 10.589 -0.573 714 HB3 TRP2714 HB1 TRP2714 1.585 11.939 -0.220 715 HD1 TRP2714 HD1 TRP2714 4.977 11.801 -2.134 716 HE1 TRP2714 HE1 TRP2714 4.661 13.025 -4.375 717 HE3 TRP2714 HE3 TRP2714 0.032 13.011 -1.707 718 HZ2 TRP2714 HZ2 TRP2714 2.591 14.336 -5.776 719 HZ3 TRP2714 HZ3 TRP2714 -1.040 14.261 -3.536 720 HH2 TRP2714 HH2 TRP2714 0.215 14.911 -5.530 721 H GLU2715 HN GLU2715 3.479 14.136 -0.908 722 HA GLU2715 HA GLU2715 2.104 15.823 0.934 723 HB2 GLU2715 HB2 GLU2715 4.490 16.119 1.581 724 HB3 GLU2715 HB1 GLU2715 4.846 16.631 -0.062 725 HG2 GLU2715 HG2 GLU2715 3.257 18.520 0.256 726 HG3 GLU2715 HG1 GLU2715 3.109 18.042 1.946 727 H LYS2716 HN LYS2716 0.789 17.202 -0.127 728 HA LYS2716 HA LYS2716 0.582 16.959 -2.961 729 HB2 LYS2716 HB2 LYS2716 -0.929 18.437 -0.847 730 HB3 LYS2716 HB1 LYS2716 -1.165 18.882 -2.530 731 HG2 LYS2716 HG2 LYS2716 -2.865 17.331 -1.961 732 HG3 LYS2716 HG1 LYS2716 -1.721 16.497 -3.011 733 HD2 LYS2716 HD2 LYS2716 -2.345 15.023 -1.212 734 HD3 LYS2716 HD1 LYS2716 -0.663 15.508 -0.993 735 HE2 LYS2716 HE2 LYS2716 -1.882 15.536 1.126 736 HE3 LYS2716 HE1 LYS2716 -1.347 17.153 0.675 737 HZ1 LYS2716 HZ1 LYS2716 -4.088 16.061 0.331 738 HZ2 LYS2716 HZ2 LYS2716 -3.586 17.601 -0.156 739 HZ3 LYS2716 HZ3 LYS2716 -3.606 17.198 1.488 740 H LYS2717 HN LYS2717 0.714 18.593 -4.524 741 HA LYS2717 HA LYS2717 2.719 20.636 -3.891 742 HB2 LYS2717 HB2 LYS2717 3.163 18.938 -5.703 743 HB3 LYS2717 HB1 LYS2717 1.847 19.664 -6.615 744 HG2 LYS2717 HG2 LYS2717 3.185 21.869 -6.284 745 HG3 LYS2717 HG1 LYS2717 4.535 20.780 -5.959 746 HD2 LYS2717 HD2 LYS2717 4.838 20.627 -8.160 747 HD3 LYS2717 HD1 LYS2717 3.303 19.759 -8.248 748 HE2 LYS2717 HE2 LYS2717 3.634 22.753 -8.427 749 HE3 LYS2717 HE1 LYS2717 3.388 21.669 -9.796 750 HZ1 LYS2717 HZ1 LYS2717 1.242 21.060 -8.907 751 HZ2 LYS2717 HZ2 LYS2717 1.329 22.739 -9.084 752 HZ3 LYS2717 HZ3 LYS2717 1.479 22.043 -7.550 Start of MODEL 8 1 H1 GLU 20 HT1 GLU 20 16.109 0.116 -3.590 2 H2 GLU 20 HT2 GLU 20 15.726 -1.472 -3.152 3 H3 GLU 20 HT3 GLU 20 17.331 -0.940 -3.082 4 HA GLU 20 HA GLU 20 16.373 -1.053 -0.885 5 HB2 GLU 20 HB2 GLU 20 16.938 1.716 -1.949 6 HB3 GLU 20 HB1 GLU 20 16.787 1.350 -0.236 7 HG2 GLU 20 HG2 GLU 20 18.825 0.187 -2.124 8 HG3 GLU 20 HG1 GLU 20 19.116 1.440 -0.917 9 H TYR 21 HN TYR 21 14.923 1.843 -2.372 10 HA TYR 21 HA TYR 21 12.377 1.105 -1.083 11 HB2 TYR 21 HB2 TYR 21 13.735 3.771 -1.354 12 HB3 TYR 21 HB1 TYR 21 11.987 3.676 -1.176 13 HD1 TYR 21 HD1 TYR 21 11.013 2.718 0.899 14 HD2 TYR 21 HD2 TYR 21 15.189 3.427 0.504 15 HE1 TYR 21 HE1 TYR 21 11.257 2.587 3.340 16 HE2 TYR 21 HE2 TYR 21 15.447 3.296 2.947 17 HH TYR 21 HH TYR 21 12.931 2.171 5.001 18 H ILE 22 HN ILE 22 10.557 1.159 -2.279 19 HA ILE 22 HA ILE 22 10.847 1.874 -5.122 20 HB ILE 22 HB ILE 22 8.841 0.418 -5.483 21 HG12 ILE 22 HG12 ILE 22 9.396 -0.556 -2.674 22 HG13 ILE 22 HG11 ILE 22 8.073 0.530 -3.087 23 HG21 ILE 22 HG21 ILE 22 10.078 -1.696 -5.308 24 HG22 ILE 22 HG22 ILE 22 11.271 -0.900 -4.282 25 HG23 ILE 22 HG23 ILE 22 11.074 -0.396 -5.960 26 HD11 ILE 22 HD11 ILE 22 7.101 -1.166 -4.516 27 HD12 ILE 22 HD12 ILE 22 7.341 -1.790 -2.884 28 HD13 ILE 22 HD13 ILE 22 8.451 -2.248 -4.178 29 H LYS 23 HN LYS 23 8.864 2.744 -6.174 30 HA LYS 23 HA LYS 23 7.454 4.536 -4.313 31 HB2 LYS 23 HB2 LYS 23 8.894 5.634 -6.028 32 HB3 LYS 23 HB1 LYS 23 7.883 4.925 -7.280 33 HG2 LYS 23 HG2 LYS 23 5.932 6.125 -6.224 34 HG3 LYS 23 HG1 LYS 23 7.111 6.989 -5.236 35 HD2 LYS 23 HD2 LYS 23 7.177 6.938 -8.249 36 HD3 LYS 23 HD1 LYS 23 6.368 8.193 -7.312 37 HE2 LYS 23 HE2 LYS 23 8.499 8.733 -6.219 38 HE3 LYS 23 HE1 LYS 23 9.299 7.494 -7.184 39 HZ1 LYS 23 HZ1 LYS 23 8.704 8.716 -9.183 40 HZ2 LYS 23 HZ2 LYS 23 9.608 9.691 -8.137 41 HZ3 LYS 23 HZ3 LYS 23 7.934 9.905 -8.256 42 H LEU 24 HN LEU 24 5.585 3.585 -3.804 43 HA LEU 24 HA LEU 24 3.944 2.471 -5.974 44 HB2 LEU 24 HB2 LEU 24 3.943 1.988 -2.999 45 HB3 LEU 24 HB1 LEU 24 2.633 1.459 -4.038 46 HG LEU 24 HG LEU 24 5.509 0.584 -4.326 47 HD11 LEU 24 HD11 LEU 24 4.567 -0.271 -2.265 48 HD12 LEU 24 HD12 LEU 24 4.714 -1.569 -3.451 49 HD13 LEU 24 HD13 LEU 24 3.139 -0.843 -3.128 50 HD21 LEU 24 HD21 LEU 24 4.385 0.479 -6.434 51 HD22 LEU 24 HD22 LEU 24 2.966 -0.269 -5.700 52 HD23 LEU 24 HD23 LEU 24 4.486 -1.159 -5.788 53 H LYS 25 HN LYS 25 2.548 3.900 -6.748 54 HA LYS 25 HA LYS 25 1.626 6.126 -5.173 55 HB2 LYS 25 HB2 LYS 25 1.317 5.244 -8.003 56 HB3 LYS 25 HB1 LYS 25 0.148 6.384 -7.356 57 HG2 LYS 25 HG2 LYS 25 2.128 7.801 -6.661 58 HG3 LYS 25 HG1 LYS 25 3.110 6.735 -7.670 59 HD2 LYS 25 HD2 LYS 25 1.833 7.310 -9.619 60 HD3 LYS 25 HD1 LYS 25 0.679 8.226 -8.647 61 HE2 LYS 25 HE2 LYS 25 2.533 9.748 -7.994 62 HE3 LYS 25 HE1 LYS 25 3.583 8.881 -9.113 63 HZ1 LYS 25 HZ1 LYS 25 2.105 9.505 -10.922 64 HZ2 LYS 25 HZ2 LYS 25 2.688 10.876 -10.123 65 HZ3 LYS 25 HZ3 LYS 25 1.106 10.347 -9.846 66 H VAL 26 HN VAL 26 0.355 5.332 -3.518 67 HA VAL 26 HA VAL 26 -1.857 3.570 -4.097 68 HB VAL 26 HB VAL 26 -1.064 4.979 -1.540 69 HG11 VAL 26 HG11 VAL 26 -3.474 4.599 -1.580 70 HG12 VAL 26 HG12 VAL 26 -2.688 3.526 -0.421 71 HG13 VAL 26 HG13 VAL 26 -3.209 2.903 -1.988 72 HG21 VAL 26 HG21 VAL 26 0.494 3.243 -2.281 73 HG22 VAL 26 HG22 VAL 26 -0.836 2.089 -2.380 74 HG23 VAL 26 HG23 VAL 26 -0.360 2.755 -0.818 75 H ILE 27 HN ILE 27 -3.322 4.513 -5.355 76 HA ILE 27 HA ILE 27 -4.298 7.196 -4.721 77 HB ILE 27 HB ILE 27 -4.647 5.439 -7.144 78 HG12 ILE 27 HG12 ILE 27 -3.302 8.112 -6.691 79 HG13 ILE 27 HG11 ILE 27 -2.485 6.574 -6.946 80 HG21 ILE 27 HG21 ILE 27 -5.828 8.159 -6.603 81 HG22 ILE 27 HG22 ILE 27 -6.724 6.642 -6.686 82 HG23 ILE 27 HG23 ILE 27 -5.921 7.274 -8.124 83 HD11 ILE 27 HD11 ILE 27 -2.455 7.925 -8.955 84 HD12 ILE 27 HD12 ILE 27 -4.216 8.011 -8.944 85 HD13 ILE 27 HD13 ILE 27 -3.410 6.464 -9.203 86 H GLY 28 HN GLY 28 -6.060 7.404 -3.547 87 HA2 GLY 28 HA2 GLY 28 -7.774 5.159 -2.991 88 HA3 GLY 28 HA1 GLY 28 -7.939 6.785 -2.348 89 H GLN 29 HN GLN 29 -10.265 6.342 -2.723 90 HA GLN 29 HA GLN 29 -10.969 6.797 -5.546 91 HB2 GLN 29 HB2 GLN 29 -11.724 4.658 -4.129 92 HB3 GLN 29 HB1 GLN 29 -13.023 5.756 -3.674 93 HG2 GLN 29 HG2 GLN 29 -13.495 4.304 -5.650 94 HG3 GLN 29 HG1 GLN 29 -13.697 6.037 -5.923 95 HE21 GLN 29 HE21 GLN 29 -12.734 6.878 -7.633 96 HE22 GLN 29 HE22 GLN 29 -11.449 6.155 -8.533 97 H ASP 30 HN ASP 30 -10.275 8.956 -4.058 98 HA ASP 30 HA ASP 30 -12.587 10.599 -4.273 99 HB2 ASP 30 HB2 ASP 30 -12.480 11.375 -1.841 100 HB3 ASP 30 HB1 ASP 30 -13.217 9.802 -2.126 101 H SER 31 HN SER 31 -9.839 10.325 -5.186 102 HA SER 31 HA SER 31 -8.195 11.682 -5.916 103 HB2 SER 31 HB2 SER 31 -9.898 13.437 -6.091 104 HB3 SER 31 HB1 SER 31 -9.622 13.875 -4.405 105 HG SER 31 HG SER 31 -7.289 14.035 -5.287 106 H SER 32 HN SER 32 -8.378 10.477 -3.057 107 HA SER 32 HA SER 32 -6.377 12.017 -1.627 108 HB2 SER 32 HB2 SER 32 -8.093 10.942 -0.298 109 HB3 SER 32 HB1 SER 32 -7.759 9.382 -1.050 110 HG SER 32 HG SER 32 -5.519 10.425 0.033 111 H GLU 33 HN GLU 33 -4.382 11.908 -2.648 112 HA GLU 33 HA GLU 33 -3.442 9.194 -3.361 113 HB2 GLU 33 HB2 GLU 33 -3.509 10.875 -5.212 114 HB3 GLU 33 HB1 GLU 33 -2.340 11.842 -4.321 115 HG2 GLU 33 HG2 GLU 33 -0.729 9.996 -4.450 116 HG3 GLU 33 HG1 GLU 33 -1.897 9.055 -5.376 117 H ILE 34 HN ILE 34 -1.427 8.472 -2.635 118 HA ILE 34 HA ILE 34 0.148 10.203 -0.897 119 HB ILE 34 HB ILE 34 -0.938 7.546 0.073 120 HG12 ILE 34 HG12 ILE 34 -1.431 10.364 1.064 121 HG13 ILE 34 HG11 ILE 34 -2.597 9.343 0.230 122 HG21 ILE 34 HG21 ILE 34 0.295 7.917 2.106 123 HG22 ILE 34 HG22 ILE 34 0.869 9.477 1.522 124 HG23 ILE 34 HG23 ILE 34 1.409 7.991 0.741 125 HD11 ILE 34 HD11 ILE 34 -1.460 8.972 2.983 126 HD12 ILE 34 HD12 ILE 34 -2.397 7.737 2.145 127 HD13 ILE 34 HD13 ILE 34 -3.134 9.293 2.527 128 H HIS 35 HN HIS 35 2.336 9.782 -1.049 129 HA HIS 35 HA HIS 35 3.111 7.622 -2.848 130 HB2 HIS 35 HB2 HIS 35 4.515 9.993 -1.677 131 HB3 HIS 35 HB1 HIS 35 5.471 8.649 -2.286 132 HD1 HIS 35 HD1 HIS 35 5.752 11.321 -3.701 133 HD2 HIS 35 HD2 HIS 35 2.950 8.453 -4.786 134 HE1 HIS 35 HE1 HIS 35 5.172 11.773 -6.120 135 H PHE 36 HN PHE 36 3.926 5.734 -2.254 136 HA PHE 36 HA PHE 36 4.557 5.341 0.592 137 HB2 PHE 36 HB2 PHE 36 3.215 3.621 -1.445 138 HB3 PHE 36 HB1 PHE 36 4.120 2.845 -0.153 139 HD1 PHE 36 HD2 PHE 36 1.640 5.625 -0.495 140 HD2 PHE 36 HD1 PHE 36 2.892 2.162 1.636 141 HE1 PHE 36 HE2 PHE 36 -0.307 5.837 0.992 142 HE2 PHE 36 HE1 PHE 36 0.946 2.368 3.125 143 HZ PHE 36 HZ PHE 36 -0.652 4.209 2.803 144 H LYS 37 HN LYS 37 6.624 5.028 1.048 145 HA LYS 37 HA LYS 37 8.372 3.824 -0.991 146 HB2 LYS 37 HB2 LYS 37 9.052 5.512 1.432 147 HB3 LYS 37 HB1 LYS 37 10.243 4.772 0.370 148 HG2 LYS 37 HG2 LYS 37 9.464 6.109 -1.490 149 HG3 LYS 37 HG1 LYS 37 8.189 6.801 -0.484 150 HD2 LYS 37 HD2 LYS 37 9.897 7.768 0.991 151 HD3 LYS 37 HD1 LYS 37 11.161 7.095 -0.041 152 HE2 LYS 37 HE2 LYS 37 10.385 8.445 -1.906 153 HE3 LYS 37 HE1 LYS 37 9.063 9.075 -0.925 154 HZ1 LYS 37 HZ1 LYS 37 11.958 9.487 -0.399 155 HZ2 LYS 37 HZ2 LYS 37 10.692 10.089 0.548 156 HZ3 LYS 37 HZ3 LYS 37 10.895 10.639 -1.038 157 H VAL 38 HN VAL 38 8.482 1.689 -0.691 158 HA VAL 38 HA VAL 38 8.565 0.659 2.071 159 HB VAL 38 HB VAL 38 7.645 -0.854 -0.375 160 HG11 VAL 38 HG11 VAL 38 8.421 -2.256 1.470 161 HG12 VAL 38 HG12 VAL 38 6.682 -2.416 1.224 162 HG13 VAL 38 HG13 VAL 38 7.297 -1.446 2.560 163 HG21 VAL 38 HG21 VAL 38 5.951 0.534 1.697 164 HG22 VAL 38 HG22 VAL 38 5.360 -0.493 0.392 165 HG23 VAL 38 HG23 VAL 38 6.154 1.036 0.018 166 H LYS 39 HN LYS 39 10.162 -0.718 2.677 167 HA LYS 39 HA LYS 39 12.475 -0.953 1.015 168 HB2 LYS 39 HB2 LYS 39 11.709 -1.777 3.760 169 HB3 LYS 39 HB1 LYS 39 12.975 -2.724 2.991 170 HG2 LYS 39 HG2 LYS 39 14.291 -0.707 2.637 171 HG3 LYS 39 HG1 LYS 39 13.012 0.265 3.367 172 HD2 LYS 39 HD2 LYS 39 13.310 -0.862 5.484 173 HD3 LYS 39 HD1 LYS 39 14.495 -1.957 4.769 174 HE2 LYS 39 HE2 LYS 39 16.014 -0.123 4.381 175 HE3 LYS 39 HE1 LYS 39 14.812 1.035 4.952 176 HZ1 LYS 39 HZ1 LYS 39 14.934 0.058 7.143 177 HZ2 LYS 39 HZ2 LYS 39 16.483 0.522 6.641 178 HZ3 LYS 39 HZ3 LYS 39 16.037 -1.108 6.605 179 H MET 40 HN MET 40 13.437 -2.956 0.284 180 HA MET 40 HA MET 40 11.456 -4.722 -0.849 181 HB2 MET 40 HB2 MET 40 14.466 -4.754 -1.098 182 HB3 MET 40 HB1 MET 40 13.351 -5.722 -2.054 183 HG2 MET 40 HG2 MET 40 12.333 -3.524 -2.812 184 HG3 MET 40 HG1 MET 40 13.745 -2.748 -2.099 185 HE1 MET 40 HE1 MET 40 16.633 -4.457 -4.220 186 HE2 MET 40 HE2 MET 40 15.921 -5.150 -2.762 187 HE3 MET 40 HE3 MET 40 16.273 -3.423 -2.837 188 H THR 41 HN THR 41 12.437 -4.692 2.127 189 HA THR 41 HA THR 41 12.866 -7.600 2.331 190 HB THR 41 HB THR 41 13.590 -6.730 4.781 191 HG1 THR 41 HG1 THR 41 15.014 -4.813 3.513 192 HG21 THR 41 HG21 THR 41 14.919 -8.197 3.359 193 HG22 THR 41 HG22 THR 41 15.924 -6.904 4.012 194 HG23 THR 41 HG23 THR 41 15.368 -6.829 2.340 195 H THR 42 HN THR 42 10.527 -5.348 2.600 196 HA THR 42 HA THR 42 9.181 -6.751 4.816 197 HB THR 42 HB THR 42 7.733 -4.454 4.544 198 HG1 THR 42 HG1 THR 42 9.494 -3.721 3.083 199 HG21 THR 42 HG21 THR 42 10.134 -4.926 6.313 200 HG22 THR 42 HG22 THR 42 8.469 -5.397 6.653 201 HG23 THR 42 HG23 THR 42 8.904 -3.690 6.582 202 H HIS 43 HN HIS 43 6.962 -7.214 4.598 203 HA HIS 43 HA HIS 43 6.165 -7.805 1.891 204 HB2 HIS 43 HB2 HIS 43 4.752 -8.278 4.525 205 HB3 HIS 43 HB1 HIS 43 4.187 -8.863 2.965 206 HD1 HIS 43 HD1 HIS 43 6.614 -9.617 5.678 207 HD2 HIS 43 HD2 HIS 43 5.730 -10.944 1.843 208 HE1 HIS 43 HE1 HIS 43 7.823 -11.820 5.393 209 H LEU 44 HN LEU 44 3.733 -7.422 1.381 210 HA LEU 44 HA LEU 44 3.349 -4.576 1.353 211 HB2 LEU 44 HB2 LEU 44 1.725 -6.865 0.266 212 HB3 LEU 44 HB1 LEU 44 1.228 -5.190 0.115 213 HG LEU 44 HG LEU 44 3.691 -6.457 -1.070 214 HD11 LEU 44 HD11 LEU 44 2.643 -6.379 -3.098 215 HD12 LEU 44 HD12 LEU 44 1.581 -5.053 -2.622 216 HD13 LEU 44 HD13 LEU 44 1.263 -6.688 -2.044 217 HD21 LEU 44 HD21 LEU 44 4.307 -4.251 -0.404 218 HD22 LEU 44 HD22 LEU 44 2.799 -3.582 -1.027 219 HD23 LEU 44 HD23 LEU 44 4.007 -4.219 -2.141 220 H LYS 45 HN LYS 45 2.637 -6.907 3.596 221 HA LYS 45 HA LYS 45 0.053 -6.086 4.435 222 HB2 LYS 45 HB2 LYS 45 1.164 -8.268 5.033 223 HB3 LYS 45 HB1 LYS 45 2.189 -7.368 6.144 224 HG2 LYS 45 HG2 LYS 45 0.251 -6.662 7.408 225 HG3 LYS 45 HG1 LYS 45 -0.817 -7.479 6.266 226 HD2 LYS 45 HD2 LYS 45 0.215 -9.625 6.860 227 HD3 LYS 45 HD1 LYS 45 1.253 -8.795 8.023 228 HE2 LYS 45 HE2 LYS 45 -0.684 -8.085 9.292 229 HE3 LYS 45 HE1 LYS 45 -1.761 -8.800 8.095 230 HZ1 LYS 45 HZ1 LYS 45 -1.492 -10.218 10.036 231 HZ2 LYS 45 HZ2 LYS 45 0.176 -10.303 9.769 232 HZ3 LYS 45 HZ3 LYS 45 -0.895 -10.974 8.645 233 H LYS 46 HN LYS 46 3.326 -5.044 5.155 234 HA LYS 46 HA LYS 46 2.617 -3.354 7.336 235 HB2 LYS 46 HB2 LYS 46 5.066 -3.616 5.612 236 HB3 LYS 46 HB1 LYS 46 4.922 -2.315 6.787 237 HG2 LYS 46 HG2 LYS 46 4.728 -5.251 7.434 238 HG3 LYS 46 HG1 LYS 46 6.172 -4.257 7.644 239 HD2 LYS 46 HD2 LYS 46 5.031 -2.864 9.254 240 HD3 LYS 46 HD1 LYS 46 3.517 -3.722 8.973 241 HE2 LYS 46 HE2 LYS 46 4.669 -5.809 9.758 242 HE3 LYS 46 HE1 LYS 46 6.029 -4.793 10.237 243 HZ1 LYS 46 HZ1 LYS 46 4.546 -5.224 12.095 244 HZ2 LYS 46 HZ2 LYS 46 3.246 -4.546 11.250 245 HZ3 LYS 46 HZ3 LYS 46 4.553 -3.575 11.713 246 H LEU 47 HN LEU 47 2.747 -3.022 3.885 247 HA LEU 47 HA LEU 47 2.570 -0.185 3.753 248 HB2 LEU 47 HB2 LEU 47 3.293 -1.324 1.799 249 HB3 LEU 47 HB1 LEU 47 1.934 -2.427 1.842 250 HG LEU 47 HG LEU 47 1.170 0.388 1.501 251 HD11 LEU 47 HD11 LEU 47 3.243 0.411 0.228 252 HD12 LEU 47 HD12 LEU 47 1.848 0.472 -0.850 253 HD13 LEU 47 HD13 LEU 47 2.738 -1.037 -0.642 254 HD21 LEU 47 HD21 LEU 47 -0.271 -0.593 -0.217 255 HD22 LEU 47 HD22 LEU 47 -0.415 -1.460 1.311 256 HD23 LEU 47 HD23 LEU 47 0.533 -2.149 -0.007 257 H LYS 48 HN LYS 48 0.283 -2.831 3.897 258 HA LYS 48 HA LYS 48 -2.089 -1.327 3.536 259 HB2 LYS 48 HB2 LYS 48 -1.715 -3.861 3.306 260 HB3 LYS 48 HB1 LYS 48 -1.871 -3.922 5.054 261 HG2 LYS 48 HG2 LYS 48 -4.122 -2.993 4.892 262 HG3 LYS 48 HG1 LYS 48 -3.965 -2.923 3.135 263 HD2 LYS 48 HD2 LYS 48 -3.663 -5.360 3.077 264 HD3 LYS 48 HD1 LYS 48 -3.846 -5.419 4.830 265 HE2 LYS 48 HE2 LYS 48 -6.116 -4.460 4.578 266 HE3 LYS 48 HE1 LYS 48 -5.921 -4.538 2.827 267 HZ1 LYS 48 HZ1 LYS 48 -5.859 -6.858 4.681 268 HZ2 LYS 48 HZ2 LYS 48 -5.665 -6.938 3.004 269 HZ3 LYS 48 HZ3 LYS 48 -7.144 -6.443 3.661 270 H GLU 49 HN GLU 49 -0.204 -2.306 6.350 271 HA GLU 49 HA GLU 49 -2.054 -1.452 8.326 272 HB2 GLU 49 HB2 GLU 49 0.930 -1.919 8.438 273 HB3 GLU 49 HB1 GLU 49 -0.046 -1.536 9.848 274 HG2 GLU 49 HG2 GLU 49 -1.261 -3.574 9.652 275 HG3 GLU 49 HG1 GLU 49 -0.537 -3.919 8.083 276 H SER 50 HN SER 50 0.693 0.092 6.737 277 HA SER 50 HA SER 50 0.755 2.422 8.327 278 HB2 SER 50 HB2 SER 50 1.753 1.876 5.530 279 HB3 SER 50 HB1 SER 50 2.067 3.377 6.400 280 HG SER 50 HG SER 50 3.785 2.078 6.821 281 H TYR 51 HN TYR 51 -0.970 1.642 5.338 282 HA TYR 51 HA TYR 51 -1.927 4.286 4.891 283 HB2 TYR 51 HB2 TYR 51 -1.766 2.508 3.131 284 HB3 TYR 51 HB1 TYR 51 -3.134 1.701 3.888 285 HD1 TYR 51 HD1 TYR 51 -2.355 5.227 2.866 286 HD2 TYR 51 HD2 TYR 51 -5.096 1.977 2.727 287 HE1 TYR 51 HE1 TYR 51 -3.899 6.593 1.527 288 HE2 TYR 51 HE2 TYR 51 -6.645 3.336 1.387 289 HH TYR 51 HH TYR 51 -5.733 6.330 -0.008 290 H CYS 52 HN CYS 52 -3.193 1.483 6.606 291 HA CYS 52 HA CYS 52 -5.808 2.492 7.003 292 HB2 CYS 52 HB2 CYS 52 -4.212 0.336 8.360 293 HB3 CYS 52 HB1 CYS 52 -5.848 0.741 8.867 294 HG CYS 52 HG CYS 52 -7.142 -0.243 6.777 295 H GLN 53 HN GLN 53 -2.863 2.673 8.983 296 HA GLN 53 HA GLN 53 -4.238 3.946 11.161 297 HB2 GLN 53 HB2 GLN 53 -1.994 4.250 12.141 298 HB3 GLN 53 HB1 GLN 53 -2.305 2.589 11.662 299 HG2 GLN 53 HG2 GLN 53 -0.241 2.748 10.798 300 HG3 GLN 53 HG1 GLN 53 -1.096 3.479 9.441 301 HE21 GLN 53 HE21 GLN 53 0.676 4.680 8.809 302 HE22 GLN 53 HE22 GLN 53 1.239 6.048 9.701 303 H ARG 54 HN ARG 54 -2.535 5.035 8.323 304 HA ARG 54 HA ARG 54 -2.373 7.774 9.275 305 HB2 ARG 54 HB2 ARG 54 -0.597 6.662 7.855 306 HB3 ARG 54 HB1 ARG 54 -1.731 6.724 6.516 307 HG2 ARG 54 HG2 ARG 54 -0.154 8.546 6.371 308 HG3 ARG 54 HG1 ARG 54 -1.775 9.171 6.675 309 HD2 ARG 54 HD2 ARG 54 -0.157 10.353 8.036 310 HD3 ARG 54 HD1 ARG 54 -1.222 9.395 9.061 311 HE ARG 54 HE ARG 54 1.339 8.219 8.309 312 HH11 ARG 54 HH11 ARG 54 -0.608 9.803 10.734 313 HH12 ARG 54 HH12 ARG 54 0.417 9.331 12.047 314 HH21 ARG 54 HH21 ARG 54 2.697 7.606 10.036 315 HH22 ARG 54 HH22 ARG 54 2.293 8.084 11.651 316 H GLN 55 HN GLN 55 -4.865 5.983 8.208 317 HA GLN 55 HA GLN 55 -6.141 8.312 6.940 318 HB2 GLN 55 HB2 GLN 55 -5.460 6.351 5.381 319 HB3 GLN 55 HB1 GLN 55 -6.819 5.508 6.107 320 HG2 GLN 55 HG2 GLN 55 -7.544 6.479 4.059 321 HG3 GLN 55 HG1 GLN 55 -8.290 7.372 5.384 322 HE21 GLN 55 HE21 GLN 55 -7.711 9.491 5.747 323 HE22 GLN 55 HE22 GLN 55 -6.783 10.414 4.621 324 H GLY 56 HN GLY 56 -6.267 5.966 9.401 325 HA2 GLY 56 HA2 GLY 56 -7.864 5.542 11.003 326 HA3 GLY 56 HA1 GLY 56 -8.706 6.967 10.427 327 H VAL 57 HN VAL 57 -8.030 3.693 9.167 328 HA VAL 57 HA VAL 57 -10.896 3.201 8.901 329 HB VAL 57 HB VAL 57 -8.982 3.134 6.554 330 HG11 VAL 57 HG11 VAL 57 -10.982 2.409 5.271 331 HG12 VAL 57 HG12 VAL 57 -11.835 2.200 6.800 332 HG13 VAL 57 HG13 VAL 57 -10.413 1.218 6.439 333 HG21 VAL 57 HG21 VAL 57 -10.512 4.774 5.578 334 HG22 VAL 57 HG22 VAL 57 -9.829 5.361 7.094 335 HG23 VAL 57 HG23 VAL 57 -11.483 4.747 7.050 336 HA PRO 58 HA PRO 58 -9.371 -0.688 10.475 337 HB2 PRO 58 HB2 PRO 58 -11.497 -2.233 9.786 338 HB3 PRO 58 HB1 PRO 58 -11.483 -1.141 11.181 339 HG2 PRO 58 HG2 PRO 58 -12.451 -0.582 8.419 340 HG3 PRO 58 HG1 PRO 58 -13.370 -0.387 9.911 341 HD2 PRO 58 HD2 PRO 58 -12.205 1.739 8.902 342 HD3 PRO 58 HD1 PRO 58 -11.941 1.392 10.627 343 H MET 59 HN MET 59 -8.171 -2.274 9.751 344 HA MET 59 HA MET 59 -6.997 -2.424 7.353 345 HB2 MET 59 HB2 MET 59 -6.454 -3.718 9.432 346 HB3 MET 59 HB1 MET 59 -7.683 -4.876 8.963 347 HG2 MET 59 HG2 MET 59 -5.634 -5.807 8.306 348 HG3 MET 59 HG1 MET 59 -6.380 -5.207 6.825 349 HE1 MET 59 HE1 MET 59 -4.755 -2.688 9.455 350 HE2 MET 59 HE2 MET 59 -3.051 -2.950 9.098 351 HE3 MET 59 HE3 MET 59 -4.022 -4.263 9.759 352 H ASN 60 HN ASN 60 -10.105 -3.867 8.093 353 HA ASN 60 HA ASN 60 -10.239 -5.375 5.647 354 HB2 ASN 60 HB2 ASN 60 -12.507 -5.954 6.384 355 HB3 ASN 60 HB1 ASN 60 -11.327 -6.210 7.666 356 HD21 ASN 60 HD21 ASN 60 -14.295 -4.954 6.947 357 HD22 ASN 60 HD22 ASN 60 -14.492 -3.898 8.301 358 H SER 61 HN SER 61 -12.131 -2.691 6.965 359 HA SER 61 HA SER 61 -13.958 -1.996 5.322 360 HB2 SER 61 HB2 SER 61 -13.142 -0.540 7.042 361 HB3 SER 61 HB1 SER 61 -11.795 -0.013 6.053 362 HG SER 61 HG SER 61 -14.477 0.676 6.032 363 H LEU 62 HN LEU 62 -10.587 -1.630 4.214 364 HA LEU 62 HA LEU 62 -11.640 -0.755 1.627 365 HB2 LEU 62 HB2 LEU 62 -8.745 -0.918 2.354 366 HB3 LEU 62 HB1 LEU 62 -9.501 0.045 1.108 367 HG LEU 62 HG LEU 62 -9.658 0.532 4.084 368 HD11 LEU 62 HD11 LEU 62 -8.421 2.205 1.913 369 HD12 LEU 62 HD12 LEU 62 -7.515 1.001 2.830 370 HD13 LEU 62 HD13 LEU 62 -8.242 2.379 3.658 371 HD21 LEU 62 HD21 LEU 62 -10.738 2.693 3.291 372 HD22 LEU 62 HD22 LEU 62 -11.736 1.242 3.201 373 HD23 LEU 62 HD23 LEU 62 -10.982 1.886 1.742 374 H ARG 63 HN ARG 63 -9.473 -1.432 0.054 375 HA ARG 63 HA ARG 63 -8.793 -4.186 0.014 376 HB2 ARG 63 HB2 ARG 63 -11.115 -4.528 -0.676 377 HB3 ARG 63 HB1 ARG 63 -10.982 -3.241 -1.868 378 HG2 ARG 63 HG2 ARG 63 -9.193 -4.641 -2.981 379 HG3 ARG 63 HG1 ARG 63 -9.697 -5.954 -1.917 380 HD2 ARG 63 HD2 ARG 63 -11.649 -4.484 -3.665 381 HD3 ARG 63 HD1 ARG 63 -10.720 -5.852 -4.263 382 HE ARG 63 HE ARG 63 -11.998 -6.616 -1.892 383 HH11 ARG 63 HH11 ARG 63 -12.783 -5.735 -5.171 384 HH12 ARG 63 HH12 ARG 63 -14.222 -6.697 -5.225 385 HH21 ARG 63 HH21 ARG 63 -13.886 -7.908 -1.960 386 HH22 ARG 63 HH22 ARG 63 -14.850 -7.932 -3.398 387 H PHE 64 HN PHE 64 -6.980 -4.302 -1.288 388 HA PHE 64 HA PHE 64 -6.416 -1.940 -2.960 389 HB2 PHE 64 HB2 PHE 64 -4.402 -3.782 -1.659 390 HB3 PHE 64 HB1 PHE 64 -4.065 -2.274 -2.504 391 HD1 PHE 64 HD1 PHE 64 -6.098 -3.531 0.368 392 HD2 PHE 64 HD2 PHE 64 -3.718 -0.386 -1.243 393 HE1 PHE 64 HE1 PHE 64 -6.336 -2.284 2.488 394 HE2 PHE 64 HE2 PHE 64 -3.948 0.873 0.869 395 HZ PHE 64 HZ PHE 64 -5.262 -0.077 2.741 396 H LEU 65 HN LEU 65 -5.612 -2.195 -5.027 397 HA LEU 65 HA LEU 65 -5.425 -4.961 -6.010 398 HB2 LEU 65 HB2 LEU 65 -6.648 -2.724 -7.582 399 HB3 LEU 65 HB1 LEU 65 -6.632 -4.423 -7.977 400 HG LEU 65 HG LEU 65 -8.235 -3.140 -5.762 401 HD11 LEU 65 HD11 LEU 65 -10.121 -3.528 -7.180 402 HD12 LEU 65 HD12 LEU 65 -9.133 -4.405 -8.348 403 HD13 LEU 65 HD13 LEU 65 -8.909 -2.670 -8.131 404 HD21 LEU 65 HD21 LEU 65 -7.578 -5.406 -5.161 405 HD22 LEU 65 HD22 LEU 65 -8.110 -5.998 -6.737 406 HD23 LEU 65 HD23 LEU 65 -9.288 -5.365 -5.589 407 H PHE 66 HN PHE 66 -4.326 -5.256 -8.025 408 HA PHE 66 HA PHE 66 -2.608 -3.139 -9.023 409 HB2 PHE 66 HB2 PHE 66 -1.258 -4.109 -7.204 410 HB3 PHE 66 HB1 PHE 66 -1.483 -5.716 -7.885 411 HD1 PHE 66 HD1 PHE 66 -0.463 -2.381 -9.217 412 HD2 PHE 66 HD2 PHE 66 0.404 -6.537 -8.885 413 HE1 PHE 66 HE1 PHE 66 1.537 -2.068 -10.638 414 HE2 PHE 66 HE2 PHE 66 2.407 -6.244 -10.307 415 HZ PHE 66 HZ PHE 66 2.974 -4.004 -11.187 416 H GLU 67 HN GLU 67 -2.008 -3.532 -11.174 417 HA GLU 67 HA GLU 67 -2.420 -4.316 -13.295 418 HB2 GLU 67 HB2 GLU 67 -1.813 -6.862 -11.782 419 HB3 GLU 67 HB1 GLU 67 -2.054 -6.835 -13.519 420 HG2 GLU 67 HG2 GLU 67 -0.138 -5.316 -13.746 421 HG3 GLU 67 HG1 GLU 67 0.111 -5.394 -12.001 422 H GLY 68 HN GLY 68 -4.685 -3.972 -11.474 423 HA2 GLY 68 HA2 GLY 68 -6.976 -4.197 -11.872 424 HA3 GLY 68 HA1 GLY 68 -6.624 -5.494 -13.008 425 H GLN 69 HN GLN 69 -5.140 -7.225 -11.409 426 HA GLN 69 HA GLN 69 -7.277 -8.387 -9.902 427 HB2 GLN 69 HB2 GLN 69 -4.464 -9.298 -10.441 428 HB3 GLN 69 HB1 GLN 69 -5.589 -10.210 -9.442 429 HG2 GLN 69 HG2 GLN 69 -7.171 -10.113 -11.447 430 HG3 GLN 69 HG1 GLN 69 -5.765 -9.595 -12.372 431 HE21 GLN 69 HE21 GLN 69 -7.584 -12.174 -11.662 432 HE22 GLN 69 HE22 GLN 69 -6.425 -13.441 -11.849 433 H ARG 70 HN ARG 70 -7.340 -9.006 -7.786 434 HA ARG 70 HA ARG 70 -6.732 -7.118 -5.891 435 HB2 ARG 70 HB2 ARG 70 -8.422 -8.947 -5.747 436 HB3 ARG 70 HB1 ARG 70 -7.115 -10.053 -5.359 437 HG2 ARG 70 HG2 ARG 70 -6.751 -9.091 -3.288 438 HG3 ARG 70 HG1 ARG 70 -7.588 -7.598 -3.730 439 HD2 ARG 70 HD2 ARG 70 -9.676 -9.000 -3.967 440 HD3 ARG 70 HD1 ARG 70 -8.778 -10.301 -3.184 441 HE ARG 70 HE ARG 70 -8.478 -8.168 -1.515 442 HH11 ARG 70 HH11 ARG 70 -11.209 -9.841 -2.875 443 HH12 ARG 70 HH12 ARG 70 -12.248 -9.509 -1.530 444 HH21 ARG 70 HH21 ARG 70 -9.835 -7.711 0.260 445 HH22 ARG 70 HH22 ARG 70 -11.467 -8.291 0.255 446 H ILE 71 HN ILE 71 -5.508 -7.486 -3.830 447 HA ILE 71 HA ILE 71 -2.827 -8.531 -4.451 448 HB ILE 71 HB ILE 71 -3.619 -6.114 -2.837 449 HG12 ILE 71 HG12 ILE 71 -1.755 -6.544 -5.184 450 HG13 ILE 71 HG11 ILE 71 -3.355 -5.816 -5.259 451 HG21 ILE 71 HG21 ILE 71 -1.976 -7.369 -1.546 452 HG22 ILE 71 HG22 ILE 71 -1.258 -5.898 -2.206 453 HG23 ILE 71 HG23 ILE 71 -0.919 -7.458 -2.956 454 HD11 ILE 71 HD11 ILE 71 -1.806 -4.045 -5.337 455 HD12 ILE 71 HD12 ILE 71 -0.870 -4.702 -3.995 456 HD13 ILE 71 HD13 ILE 71 -2.476 -4.031 -3.707 457 H ALA 72 HN ALA 72 -2.105 -10.085 -3.244 458 HA ALA 72 HA ALA 72 -3.517 -11.270 -1.121 459 HB1 ALA 72 HB1 ALA 72 -1.988 -12.539 -2.593 460 HB2 ALA 72 HB2 ALA 72 -1.582 -12.747 -0.889 461 HB3 ALA 72 HB3 ALA 72 -0.618 -11.671 -1.900 462 H ASP 73 HN ASP 73 -2.928 -11.421 1.081 463 HA ASP 73 HA ASP 73 -2.043 -8.954 2.201 464 HB2 ASP 73 HB2 ASP 73 -3.784 -10.671 3.082 465 HB3 ASP 73 HB1 ASP 73 -2.384 -11.491 3.765 466 H ASN 74 HN ASN 74 -0.504 -11.918 1.372 467 HA ASN 74 HA ASN 74 1.880 -11.270 2.968 468 HB2 ASN 74 HB2 ASN 74 0.987 -13.805 1.592 469 HB3 ASN 74 HB1 ASN 74 2.597 -13.603 2.275 470 HD21 ASN 74 HD21 ASN 74 0.995 -11.799 4.290 471 HD22 ASN 74 HD22 ASN 74 0.470 -12.953 5.460 472 H HIS 75 HN HIS 75 0.655 -10.676 0.014 473 HA HIS 75 HA HIS 75 2.569 -11.300 -1.875 474 HB2 HIS 75 HB2 HIS 75 0.275 -9.666 -1.724 475 HB3 HIS 75 HB1 HIS 75 1.566 -8.638 -2.332 476 HD1 HIS 75 HD1 HIS 75 3.044 -10.240 -4.263 477 HD2 HIS 75 HD2 HIS 75 -1.042 -10.721 -3.845 478 HE1 HIS 75 HE1 HIS 75 2.245 -11.255 -6.428 479 H THR 76 HN THR 76 3.983 -9.672 -3.012 480 HA THR 76 HA THR 76 5.155 -7.432 -1.777 481 HB THR 76 HB THR 76 6.726 -10.032 -1.501 482 HG1 THR 76 HG1 THR 76 6.774 -9.319 0.743 483 HG21 THR 76 HG21 THR 76 8.068 -8.060 -2.315 484 HG22 THR 76 HG22 THR 76 8.595 -8.722 -0.769 485 HG23 THR 76 HG23 THR 76 7.644 -7.238 -0.813 486 HA PRO 77 HA PRO 77 6.280 -7.029 -6.050 487 HB2 PRO 77 HB2 PRO 77 8.882 -6.094 -4.847 488 HB3 PRO 77 HB1 PRO 77 7.994 -5.434 -6.235 489 HG2 PRO 77 HG2 PRO 77 7.692 -4.212 -3.958 490 HG3 PRO 77 HG1 PRO 77 6.219 -4.660 -4.848 491 HD2 PRO 77 HD2 PRO 77 7.503 -6.068 -2.503 492 HD3 PRO 77 HD1 PRO 77 5.788 -5.682 -2.762 493 H LYS 78 HN LYS 78 7.914 -8.903 -3.761 494 HA LYS 78 HA LYS 78 9.915 -10.186 -5.268 495 HB2 LYS 78 HB2 LYS 78 9.739 -10.369 -2.813 496 HB3 LYS 78 HB1 LYS 78 8.194 -11.183 -2.971 497 HG2 LYS 78 HG2 LYS 78 9.346 -13.065 -4.091 498 HG3 LYS 78 HG1 LYS 78 10.886 -12.252 -3.794 499 HD2 LYS 78 HD2 LYS 78 10.519 -12.349 -1.401 500 HD3 LYS 78 HD1 LYS 78 8.916 -13.044 -1.645 501 HE2 LYS 78 HE2 LYS 78 9.977 -15.001 -2.729 502 HE3 LYS 78 HE1 LYS 78 11.558 -14.312 -2.363 503 HZ1 LYS 78 HZ1 LYS 78 9.505 -15.095 -0.359 504 HZ2 LYS 78 HZ2 LYS 78 11.020 -14.430 -0.005 505 HZ3 LYS 78 HZ3 LYS 78 10.916 -15.959 -0.719 506 H GLU 79 HN GLU 79 6.496 -10.283 -5.223 507 HA GLU 79 HA GLU 79 6.424 -12.641 -6.970 508 HB2 GLU 79 HB2 GLU 79 4.158 -11.538 -5.311 509 HB3 GLU 79 HB1 GLU 79 4.182 -13.052 -6.200 510 HG2 GLU 79 HG2 GLU 79 5.872 -12.387 -3.805 511 HG3 GLU 79 HG1 GLU 79 4.432 -13.405 -3.812 512 H LEU 80 HN LEU 80 5.347 -9.330 -6.523 513 HA LEU 80 HA LEU 80 3.754 -9.373 -8.944 514 HB2 LEU 80 HB2 LEU 80 4.286 -7.253 -6.893 515 HB3 LEU 80 HB1 LEU 80 3.358 -6.954 -8.351 516 HG LEU 80 HG LEU 80 2.636 -8.992 -6.242 517 HD11 LEU 80 HD11 LEU 80 2.395 -6.739 -5.376 518 HD12 LEU 80 HD12 LEU 80 0.807 -7.426 -5.714 519 HD13 LEU 80 HD13 LEU 80 1.515 -6.251 -6.823 520 HD21 LEU 80 HD21 LEU 80 1.508 -8.171 -8.879 521 HD22 LEU 80 HD22 LEU 80 0.423 -8.717 -7.601 522 HD23 LEU 80 HD23 LEU 80 1.698 -9.783 -8.191 523 H GLY 81 HN GLY 81 6.983 -8.711 -8.222 524 HA2 GLY 81 HA2 GLY 81 8.669 -7.669 -9.400 525 HA3 GLY 81 HA1 GLY 81 7.739 -8.138 -10.817 526 H MET 82 HN MET 82 6.477 -5.989 -8.381 527 HA MET 82 HA MET 82 5.776 -4.003 -10.242 528 HB2 MET 82 HB2 MET 82 6.144 -3.718 -7.251 529 HB3 MET 82 HB1 MET 82 5.242 -2.625 -8.289 530 HG2 MET 82 HG2 MET 82 3.715 -4.524 -8.825 531 HG3 MET 82 HG1 MET 82 4.561 -5.466 -7.600 532 HE1 MET 82 HE1 MET 82 2.990 -4.844 -4.514 533 HE2 MET 82 HE2 MET 82 4.483 -3.917 -4.626 534 HE3 MET 82 HE3 MET 82 4.353 -5.479 -5.437 535 H GLU 83 HN GLU 83 7.113 -2.656 -11.292 536 HA GLU 83 HA GLU 83 9.820 -2.207 -10.445 537 HB2 GLU 83 HB2 GLU 83 8.179 -1.661 -12.770 538 HB3 GLU 83 HB1 GLU 83 9.098 -0.235 -12.325 539 HG2 GLU 83 HG2 GLU 83 11.194 -1.506 -12.488 540 HG3 GLU 83 HG1 GLU 83 10.296 -2.971 -12.861 541 H GLU 84 HN GLU 84 9.846 0.674 -11.140 542 HA GLU 84 HA GLU 84 8.832 1.678 -8.569 543 HB2 GLU 84 HB2 GLU 84 10.452 3.214 -10.612 544 HB3 GLU 84 HB1 GLU 84 10.244 3.587 -8.912 545 HG2 GLU 84 HG2 GLU 84 12.370 2.779 -8.903 546 HG3 GLU 84 HG1 GLU 84 11.475 1.295 -8.579 547 H GLU 85 HN GLU 85 7.804 3.926 -8.740 548 HA GLU 85 HA GLU 85 6.212 5.340 -9.531 549 HB2 GLU 85 HB2 GLU 85 7.723 5.527 -11.476 550 HB3 GLU 85 HB1 GLU 85 6.890 4.181 -12.235 551 HG2 GLU 85 HG2 GLU 85 6.115 6.220 -13.202 552 HG3 GLU 85 HG1 GLU 85 4.814 5.524 -12.236 553 H ASP 86 HN ASP 86 5.874 2.070 -9.557 554 HA ASP 86 HA ASP 86 3.625 1.456 -11.004 555 HB2 ASP 86 HB2 ASP 86 4.876 0.409 -8.559 556 HB3 ASP 86 HB1 ASP 86 3.156 0.056 -8.706 557 H VAL 87 HN VAL 87 1.445 0.868 -9.933 558 HA VAL 87 HA VAL 87 0.524 3.026 -8.172 559 HB VAL 87 HB VAL 87 -0.756 2.268 -10.813 560 HG11 VAL 87 HG11 VAL 87 -2.459 2.537 -9.076 561 HG12 VAL 87 HG12 VAL 87 -2.513 3.874 -10.226 562 HG13 VAL 87 HG13 VAL 87 -1.775 4.103 -8.641 563 HG21 VAL 87 HG21 VAL 87 1.139 3.862 -10.905 564 HG22 VAL 87 HG22 VAL 87 0.265 4.920 -9.797 565 HG23 VAL 87 HG23 VAL 87 -0.392 4.586 -11.398 566 H ILE 88 HN ILE 88 -1.215 2.500 -6.880 567 HA ILE 88 HA ILE 88 -2.313 -0.224 -7.118 568 HB ILE 88 HB ILE 88 -1.450 1.142 -4.537 569 HG12 ILE 88 HG12 ILE 88 -0.579 -1.421 -5.899 570 HG13 ILE 88 HG11 ILE 88 0.400 0.024 -5.666 571 HG21 ILE 88 HG21 ILE 88 -2.914 -1.471 -4.952 572 HG22 ILE 88 HG22 ILE 88 -3.616 0.006 -4.291 573 HG23 ILE 88 HG23 ILE 88 -2.346 -0.840 -3.407 574 HD11 ILE 88 HD11 ILE 88 -0.632 -1.786 -3.486 575 HD12 ILE 88 HD12 ILE 88 0.335 -0.332 -3.242 576 HD13 ILE 88 HD13 ILE 88 1.024 -1.715 -4.091 577 H GLU 89 HN GLU 89 -4.484 -0.301 -6.836 578 HA GLU 89 HA GLU 89 -5.867 2.255 -6.373 579 HB2 GLU 89 HB2 GLU 89 -6.247 0.092 -8.243 580 HB3 GLU 89 HB1 GLU 89 -7.659 0.253 -7.223 581 HG2 GLU 89 HG2 GLU 89 -8.165 1.595 -9.030 582 HG3 GLU 89 HG1 GLU 89 -7.581 2.741 -7.825 583 H VAL 90 HN VAL 90 -7.407 2.405 -4.760 584 HA VAL 90 HA VAL 90 -7.767 0.006 -3.055 585 HB VAL 90 HB VAL 90 -7.913 2.878 -2.072 586 HG11 VAL 90 HG11 VAL 90 -7.629 1.738 0.145 587 HG12 VAL 90 HG12 VAL 90 -7.792 0.195 -0.693 588 HG13 VAL 90 HG13 VAL 90 -9.130 1.342 -0.689 589 HG21 VAL 90 HG21 VAL 90 -5.595 0.967 -1.835 590 HG22 VAL 90 HG22 VAL 90 -5.711 2.558 -1.080 591 HG23 VAL 90 HG23 VAL 90 -5.637 2.417 -2.837 592 H TYR 91 HN TYR 91 -9.884 -0.522 -2.712 593 HA TYR 91 HA TYR 91 -11.898 1.456 -3.553 594 HB2 TYR 91 HB2 TYR 91 -11.928 -1.531 -4.022 595 HB3 TYR 91 HB1 TYR 91 -13.291 -0.464 -4.328 596 HD1 TYR 91 HD1 TYR 91 -9.766 -1.117 -5.328 597 HD2 TYR 91 HD2 TYR 91 -13.508 0.634 -6.381 598 HE1 TYR 91 HE1 TYR 91 -8.935 -0.722 -7.620 599 HE2 TYR 91 HE2 TYR 91 -12.678 1.047 -8.674 600 HH TYR 91 HH TYR 91 -10.447 1.342 -9.809 601 H GLN 92 HN GLN 92 -13.586 1.734 -2.208 602 HA GLN 92 HA GLN 92 -13.474 0.890 0.471 603 HB2 GLN 92 HB2 GLN 92 -14.747 2.856 -0.115 604 HB3 GLN 92 HB1 GLN 92 -15.707 1.962 -1.276 605 HG2 GLN 92 HG2 GLN 92 -17.030 2.501 0.650 606 HG3 GLN 92 HG1 GLN 92 -16.792 0.760 0.560 607 HE21 GLN 92 HE21 GLN 92 -17.271 0.517 2.738 608 HE22 GLN 92 HE22 GLN 92 -16.162 0.976 3.980 609 H GLU 93 HN GLU 93 -14.253 -1.005 1.411 610 HA GLU 93 HA GLU 93 -14.996 -3.103 -0.421 611 HB2 GLU 93 HB2 GLU 93 -13.527 -3.366 1.674 612 HB3 GLU 93 HB1 GLU 93 -15.035 -3.345 2.582 613 HG2 GLU 93 HG2 GLU 93 -14.291 -5.626 2.138 614 HG3 GLU 93 HG1 GLU 93 -15.832 -5.286 1.350 615 H GLN 94 HN GLN 94 -16.901 -4.154 -0.573 616 HA GLN 94 HA GLN 94 -19.223 -3.311 0.971 617 HB2 GLN 94 HB2 GLN 94 -20.469 -2.698 -1.060 618 HB3 GLN 94 HB1 GLN 94 -19.058 -1.660 -0.859 619 HG2 GLN 94 HG2 GLN 94 -17.829 -3.218 -2.401 620 HG3 GLN 94 HG1 GLN 94 -19.381 -3.981 -2.738 621 HE21 GLN 94 HE21 GLN 94 -20.474 -3.234 -4.379 622 HE22 GLN 94 HE22 GLN 94 -20.269 -1.687 -5.118 623 H THR 95 HN THR 95 -21.182 -4.540 0.085 624 HA THR 95 HA THR 95 -20.579 -7.089 -1.225 625 HB THR 95 HB THR 95 -21.751 -8.390 0.491 626 HG1 THR 95 HG1 THR 95 -23.140 -6.806 1.323 627 HG21 THR 95 HG21 THR 95 -20.136 -8.215 2.341 628 HG22 THR 95 HG22 THR 95 -19.588 -6.662 1.709 629 HG23 THR 95 HG23 THR 95 -19.330 -8.135 0.774 630 H GLY 96 HN GLY 96 -22.716 -8.223 -1.718 631 HA2 GLY 96 HA2 GLY 96 -24.507 -6.390 -2.935 632 HA3 GLY 96 HA1 GLY 96 -24.769 -8.122 -2.768 633 H GLY 97 HN GLY 97 -27.022 -7.263 -2.479 634 HA2 GLY 97 HA2 GLY 97 -27.649 -7.186 0.368 635 HA3 GLY 97 HA1 GLY 97 -28.150 -5.769 -0.557 636 H1 ASP2705 HT1 ASP2705 19.031 -5.836 8.223 637 H2 ASP2705 HT2 ASP2705 18.995 -7.479 8.623 638 H3 ASP2705 HT3 ASP2705 20.461 -6.634 8.651 639 HA ASP2705 HA ASP2705 19.625 -7.001 10.880 640 HB2 ASP2705 HB2 ASP2705 19.566 -4.125 9.936 641 HB3 ASP2705 HB1 ASP2705 19.685 -4.621 11.622 642 H ASN2706 HN ASN2706 18.109 -5.496 12.434 643 HA ASN2706 HA ASN2706 15.398 -6.181 11.584 644 HB2 ASN2706 HB2 ASN2706 16.487 -6.866 13.839 645 HB3 ASN2706 HB1 ASN2706 16.137 -5.212 14.331 646 HD21 ASN2706 HD21 ASN2706 14.649 -5.790 15.872 647 HD22 ASN2706 HD22 ASN2706 13.098 -6.444 15.483 648 H GLU2707 HN GLU2707 17.317 -3.574 11.339 649 HA GLU2707 HA GLU2707 15.566 -1.489 12.243 650 HB2 GLU2707 HB2 GLU2707 18.114 -1.525 10.646 651 HB3 GLU2707 HB1 GLU2707 17.208 -0.040 10.894 652 HG2 GLU2707 HG2 GLU2707 18.810 0.003 12.571 653 HG3 GLU2707 HG1 GLU2707 17.367 -0.585 13.392 654 H ILE2708 HN ILE2708 14.922 -3.535 9.932 655 HA ILE2708 HA ILE2708 14.429 -1.966 7.615 656 HB ILE2708 HB ILE2708 13.130 -4.548 8.507 657 HG12 ILE2708 HG12 ILE2708 15.307 -4.214 6.449 658 HG13 ILE2708 HG11 ILE2708 15.675 -4.452 8.155 659 HG21 ILE2708 HG21 ILE2708 13.182 -3.248 5.786 660 HG22 ILE2708 HG22 ILE2708 11.777 -3.398 6.840 661 HG23 ILE2708 HG23 ILE2708 12.523 -4.841 6.153 662 HD11 ILE2708 HD11 ILE2708 13.787 -6.416 7.218 663 HD12 ILE2708 HD12 ILE2708 15.360 -6.634 7.986 664 HD13 ILE2708 HD13 ILE2708 15.254 -6.410 6.241 665 H GLU2709 HN GLU2709 12.910 -0.446 7.327 666 HA GLU2709 HA GLU2709 10.315 -0.737 8.610 667 HB2 GLU2709 HB2 GLU2709 11.787 0.544 10.178 668 HB3 GLU2709 HB1 GLU2709 11.944 1.784 8.942 669 HG2 GLU2709 HG2 GLU2709 9.614 2.286 9.052 670 HG3 GLU2709 HG1 GLU2709 9.319 0.913 10.118 671 H VAL2710 HN VAL2710 8.667 0.567 7.719 672 HA VAL2710 HA VAL2710 9.224 1.457 4.976 673 HB VAL2710 HB VAL2710 6.588 0.749 6.284 674 HG11 VAL2710 HG11 VAL2710 5.705 0.795 3.966 675 HG12 VAL2710 HG12 VAL2710 7.243 1.473 3.433 676 HG13 VAL2710 HG13 VAL2710 6.225 2.375 4.554 677 HG21 VAL2710 HG21 VAL2710 6.668 -1.234 4.808 678 HG22 VAL2710 HG22 VAL2710 7.961 -1.213 6.008 679 HG23 VAL2710 HG23 VAL2710 8.305 -0.778 4.334 680 H ILE2711 HN ILE2711 9.381 3.579 4.659 681 HA ILE2711 HA ILE2711 8.028 5.410 6.528 682 HB ILE2711 HB ILE2711 10.298 6.060 4.639 683 HG12 ILE2711 HG12 ILE2711 11.038 4.459 6.353 684 HG13 ILE2711 HG11 ILE2711 11.756 6.044 6.614 685 HG21 ILE2711 HG21 ILE2711 10.507 8.101 5.991 686 HG22 ILE2711 HG22 ILE2711 9.096 7.613 6.931 687 HG23 ILE2711 HG23 ILE2711 8.929 7.982 5.215 688 HD11 ILE2711 HD11 ILE2711 11.086 5.085 8.715 689 HD12 ILE2711 HD12 ILE2711 9.440 4.856 8.123 690 HD13 ILE2711 HD13 ILE2711 10.075 6.485 8.355 691 H ILE2712 HN ILE2712 6.220 6.321 5.788 692 HA ILE2712 HA ILE2712 6.020 6.884 2.901 693 HB ILE2712 HB ILE2712 3.623 6.407 2.992 694 HG12 ILE2712 HG12 ILE2712 3.960 5.104 5.671 695 HG13 ILE2712 HG11 ILE2712 3.616 6.828 5.583 696 HG21 ILE2712 HG21 ILE2712 5.185 4.061 4.049 697 HG22 ILE2712 HG22 ILE2712 5.298 4.658 2.394 698 HG23 ILE2712 HG23 ILE2712 3.768 4.023 2.999 699 HD11 ILE2712 HD11 ILE2712 1.585 6.351 4.315 700 HD12 ILE2712 HD12 ILE2712 1.585 5.555 5.888 701 HD13 ILE2712 HD13 ILE2712 1.927 4.625 4.429 702 H VAL2713 HN VAL2713 5.650 8.899 2.402 703 HA VAL2713 HA VAL2713 3.960 10.545 3.848 704 HB VAL2713 HB VAL2713 5.870 12.412 3.825 705 HG11 VAL2713 HG11 VAL2713 5.365 10.462 6.063 706 HG12 VAL2713 HG12 VAL2713 4.496 11.962 5.742 707 HG13 VAL2713 HG13 VAL2713 6.186 12.013 6.243 708 HG21 VAL2713 HG21 VAL2713 7.352 9.860 4.446 709 HG22 VAL2713 HG22 VAL2713 7.970 11.492 4.701 710 HG23 VAL2713 HG23 VAL2713 7.629 10.922 3.066 711 H TRP2714 HN TRP2714 2.794 11.358 2.330 712 HA TRP2714 HA TRP2714 3.879 11.882 -0.312 713 HB2 TRP2714 HB2 TRP2714 1.630 10.774 0.129 714 HB3 TRP2714 HB1 TRP2714 1.055 12.359 0.621 715 HD1 TRP2714 HD1 TRP2714 2.999 11.101 -2.517 716 HE1 TRP2714 HE1 TRP2714 1.883 12.133 -4.591 717 HE3 TRP2714 HE3 TRP2714 -0.685 13.747 -0.199 718 HZ2 TRP2714 HZ2 TRP2714 -0.280 13.853 -5.165 719 HZ3 TRP2714 HZ3 TRP2714 -2.240 15.054 -1.577 720 HH2 TRP2714 HH2 TRP2714 -2.040 15.115 -3.998 721 H GLU2715 HN GLU2715 3.108 13.898 -1.425 722 HA GLU2715 HA GLU2715 2.906 16.181 0.348 723 HB2 GLU2715 HB2 GLU2715 5.074 15.673 -1.623 724 HB3 GLU2715 HB1 GLU2715 4.466 17.319 -1.504 725 HG2 GLU2715 HG2 GLU2715 5.444 15.742 0.860 726 HG3 GLU2715 HG1 GLU2715 6.472 16.806 -0.098 727 H LYS2716 HN LYS2716 1.418 17.653 -0.324 728 HA LYS2716 HA LYS2716 -0.133 17.008 -2.658 729 HB2 LYS2716 HB2 LYS2716 -0.428 18.752 -0.323 730 HB3 LYS2716 HB1 LYS2716 -1.100 19.429 -1.800 731 HG2 LYS2716 HG2 LYS2716 -1.769 16.694 -0.732 732 HG3 LYS2716 HG1 LYS2716 -2.728 18.144 -0.437 733 HD2 LYS2716 HD2 LYS2716 -2.072 17.167 -3.209 734 HD3 LYS2716 HD1 LYS2716 -3.501 16.610 -2.328 735 HE2 LYS2716 HE2 LYS2716 -4.322 18.885 -2.176 736 HE3 LYS2716 HE1 LYS2716 -2.849 19.505 -2.921 737 HZ1 LYS2716 HZ1 LYS2716 -3.408 18.312 -4.941 738 HZ2 LYS2716 HZ2 LYS2716 -4.659 19.366 -4.516 739 HZ3 LYS2716 HZ3 LYS2716 -4.818 17.707 -4.229 740 H LYS2717 HN LYS2717 -0.601 18.388 -4.400 741 HA LYS2717 HA LYS2717 1.595 20.233 -5.058 742 HB2 LYS2717 HB2 LYS2717 0.845 17.986 -6.409 743 HB3 LYS2717 HB1 LYS2717 -0.097 19.210 -7.247 744 HG2 LYS2717 HG2 LYS2717 2.881 19.340 -6.837 745 HG3 LYS2717 HG1 LYS2717 2.089 18.741 -8.295 746 HD2 LYS2717 HD2 LYS2717 1.004 20.932 -8.581 747 HD3 LYS2717 HD1 LYS2717 1.853 21.524 -7.151 748 HE2 LYS2717 HE2 LYS2717 3.996 21.098 -8.256 749 HE3 LYS2717 HE1 LYS2717 3.143 20.520 -9.687 750 HZ1 LYS2717 HZ1 LYS2717 3.822 22.795 -9.989 751 HZ2 LYS2717 HZ2 LYS2717 3.037 23.269 -8.569 752 HZ3 LYS2717 HZ3 LYS2717 2.134 22.730 -9.893 Start of MODEL 9 1 H1 GLU 20 HT1 GLU 20 15.170 -2.873 -2.997 2 H2 GLU 20 HT2 GLU 20 15.839 -2.252 -1.573 3 H3 GLU 20 HT3 GLU 20 16.840 -2.629 -2.885 4 HA GLU 20 HA GLU 20 16.524 -0.256 -2.716 5 HB2 GLU 20 HB2 GLU 20 15.079 -1.482 -5.074 6 HB3 GLU 20 HB1 GLU 20 15.747 0.142 -5.017 7 HG2 GLU 20 HG2 GLU 20 17.295 -2.435 -4.874 8 HG3 GLU 20 HG1 GLU 20 17.217 -1.325 -6.242 9 H TYR 21 HN TYR 21 14.835 1.443 -3.607 10 HA TYR 21 HA TYR 21 12.305 0.951 -2.181 11 HB2 TYR 21 HB2 TYR 21 14.074 3.359 -2.322 12 HB3 TYR 21 HB1 TYR 21 12.342 3.584 -2.109 13 HD1 TYR 21 HD1 TYR 21 11.233 2.400 -0.129 14 HD2 TYR 21 HD2 TYR 21 15.444 2.874 -0.490 15 HE1 TYR 21 HE1 TYR 21 11.473 2.039 2.291 16 HE2 TYR 21 HE2 TYR 21 15.697 2.512 1.929 17 HH TYR 21 HH TYR 21 13.137 1.361 3.896 18 H ILE 22 HN ILE 22 10.758 0.584 -3.631 19 HA ILE 22 HA ILE 22 10.808 1.987 -6.194 20 HB ILE 22 HB ILE 22 8.914 0.486 -6.805 21 HG12 ILE 22 HG12 ILE 22 9.548 -0.989 -4.247 22 HG13 ILE 22 HG11 ILE 22 8.200 0.136 -4.389 23 HG21 ILE 22 HG21 ILE 22 10.284 -1.546 -6.994 24 HG22 ILE 22 HG22 ILE 22 11.427 -0.868 -5.837 25 HG23 ILE 22 HG23 ILE 22 11.192 -0.091 -7.402 26 HD11 ILE 22 HD11 ILE 22 7.244 -1.243 -6.161 27 HD12 ILE 22 HD12 ILE 22 7.462 -2.154 -4.668 28 HD13 ILE 22 HD13 ILE 22 8.590 -2.371 -6.006 29 H LYS 23 HN LYS 23 9.001 3.174 -6.971 30 HA LYS 23 HA LYS 23 7.592 4.559 -4.839 31 HB2 LYS 23 HB2 LYS 23 8.735 5.768 -6.734 32 HB3 LYS 23 HB1 LYS 23 7.485 5.141 -7.798 33 HG2 LYS 23 HG2 LYS 23 5.826 6.239 -6.180 34 HG3 LYS 23 HG1 LYS 23 7.226 7.117 -5.561 35 HD2 LYS 23 HD2 LYS 23 6.329 7.093 -8.443 36 HD3 LYS 23 HD1 LYS 23 5.981 8.377 -7.286 37 HE2 LYS 23 HE2 LYS 23 8.392 8.763 -7.010 38 HE3 LYS 23 HE1 LYS 23 8.722 7.497 -8.194 39 HZ1 LYS 23 HZ1 LYS 23 7.515 8.802 -9.848 40 HZ2 LYS 23 HZ2 LYS 23 8.822 9.670 -9.216 41 HZ3 LYS 23 HZ3 LYS 23 7.248 10.025 -8.709 42 H LEU 24 HN LEU 24 5.804 3.622 -4.131 43 HA LEU 24 HA LEU 24 3.928 2.479 -6.089 44 HB2 LEU 24 HB2 LEU 24 4.290 1.935 -3.142 45 HB3 LEU 24 HB1 LEU 24 2.928 1.339 -4.070 46 HG LEU 24 HG LEU 24 5.805 0.664 -4.685 47 HD11 LEU 24 HD11 LEU 24 5.193 -0.220 -2.506 48 HD12 LEU 24 HD12 LEU 24 5.316 -1.519 -3.691 49 HD13 LEU 24 HD13 LEU 24 3.731 -0.933 -3.188 50 HD21 LEU 24 HD21 LEU 24 4.348 0.478 -6.609 51 HD22 LEU 24 HD22 LEU 24 3.189 -0.466 -5.674 52 HD23 LEU 24 HD23 LEU 24 4.783 -1.130 -6.031 53 H LYS 25 HN LYS 25 2.571 4.082 -6.651 54 HA LYS 25 HA LYS 25 1.769 6.122 -4.802 55 HB2 LYS 25 HB2 LYS 25 1.027 5.471 -7.639 56 HB3 LYS 25 HB1 LYS 25 0.177 6.718 -6.738 57 HG2 LYS 25 HG2 LYS 25 2.331 7.867 -6.365 58 HG3 LYS 25 HG1 LYS 25 3.117 6.651 -7.375 59 HD2 LYS 25 HD2 LYS 25 1.823 7.315 -9.284 60 HD3 LYS 25 HD1 LYS 25 0.838 8.398 -8.298 61 HE2 LYS 25 HE2 LYS 25 2.802 9.775 -7.840 62 HE3 LYS 25 HE1 LYS 25 3.800 8.682 -8.799 63 HZ1 LYS 25 HZ1 LYS 25 2.507 9.247 -10.747 64 HZ2 LYS 25 HZ2 LYS 25 3.146 10.651 -10.051 65 HZ3 LYS 25 HZ3 LYS 25 1.512 10.268 -9.835 66 H VAL 26 HN VAL 26 0.546 5.433 -3.140 67 HA VAL 26 HA VAL 26 -1.622 3.566 -3.574 68 HB VAL 26 HB VAL 26 -0.810 5.013 -1.043 69 HG11 VAL 26 HG11 VAL 26 -3.152 4.317 -1.007 70 HG12 VAL 26 HG12 VAL 26 -2.186 3.345 0.105 71 HG13 VAL 26 HG13 VAL 26 -2.678 2.678 -1.452 72 HG21 VAL 26 HG21 VAL 26 0.927 3.507 -1.886 73 HG22 VAL 26 HG22 VAL 26 -0.245 2.192 -1.954 74 HG23 VAL 26 HG23 VAL 26 0.208 2.890 -0.399 75 H ILE 27 HN ILE 27 -3.197 4.436 -4.698 76 HA ILE 27 HA ILE 27 -4.254 7.075 -4.013 77 HB ILE 27 HB ILE 27 -4.655 5.299 -6.414 78 HG12 ILE 27 HG12 ILE 27 -3.418 8.035 -6.035 79 HG13 ILE 27 HG11 ILE 27 -2.544 6.539 -6.338 80 HG21 ILE 27 HG21 ILE 27 -5.934 7.959 -5.805 81 HG22 ILE 27 HG22 ILE 27 -6.758 6.401 -5.833 82 HG23 ILE 27 HG23 ILE 27 -6.074 7.064 -7.317 83 HD11 ILE 27 HD11 ILE 27 -2.695 7.886 -8.345 84 HD12 ILE 27 HD12 ILE 27 -4.455 7.888 -8.232 85 HD13 ILE 27 HD13 ILE 27 -3.592 6.380 -8.539 86 H GLY 28 HN GLY 28 -5.954 7.198 -2.740 87 HA2 GLY 28 HA2 GLY 28 -7.521 4.872 -2.088 88 HA3 GLY 28 HA1 GLY 28 -7.728 6.489 -1.436 89 H GLN 29 HN GLN 29 -10.048 5.932 -1.676 90 HA GLN 29 HA GLN 29 -10.934 6.347 -4.453 91 HB2 GLN 29 HB2 GLN 29 -11.500 4.175 -2.998 92 HB3 GLN 29 HB1 GLN 29 -12.824 5.209 -2.467 93 HG2 GLN 29 HG2 GLN 29 -13.336 3.732 -4.416 94 HG3 GLN 29 HG1 GLN 29 -13.638 5.452 -4.674 95 HE21 GLN 29 HE21 GLN 29 -12.818 6.338 -6.436 96 HE22 GLN 29 HE22 GLN 29 -11.552 5.677 -7.409 97 H ASP 30 HN ASP 30 -10.263 8.539 -3.004 98 HA ASP 30 HA ASP 30 -12.661 10.067 -3.085 99 HB2 ASP 30 HB2 ASP 30 -12.454 10.850 -0.662 100 HB3 ASP 30 HB1 ASP 30 -13.128 9.243 -0.907 101 H SER 31 HN SER 31 -9.961 9.927 -4.155 102 HA SER 31 HA SER 31 -8.430 11.361 -4.976 103 HB2 SER 31 HB2 SER 31 -10.224 13.030 -5.050 104 HB3 SER 31 HB1 SER 31 -9.873 13.484 -3.382 105 HG SER 31 HG SER 31 -7.607 13.764 -4.387 106 H SER 32 HN SER 32 -8.387 10.155 -2.113 107 HA SER 32 HA SER 32 -6.387 11.793 -0.799 108 HB2 SER 32 HB2 SER 32 -7.969 10.636 0.626 109 HB3 SER 32 HB1 SER 32 -7.602 9.094 -0.145 110 HG SER 32 HG SER 32 -5.348 10.216 0.791 111 H GLU 33 HN GLU 33 -4.441 11.778 -1.897 112 HA GLU 33 HA GLU 33 -3.432 9.114 -2.701 113 HB2 GLU 33 HB2 GLU 33 -3.671 10.789 -4.527 114 HB3 GLU 33 HB1 GLU 33 -2.525 11.828 -3.689 115 HG2 GLU 33 HG2 GLU 33 -0.812 10.078 -3.908 116 HG3 GLU 33 HG1 GLU 33 -1.963 9.086 -4.801 117 H ILE 34 HN ILE 34 -1.357 8.471 -2.093 118 HA ILE 34 HA ILE 34 0.220 10.248 -0.400 119 HB ILE 34 HB ILE 34 -0.575 7.481 0.551 120 HG12 ILE 34 HG12 ILE 34 -1.405 10.221 1.539 121 HG13 ILE 34 HG11 ILE 34 -2.451 9.002 0.822 122 HG21 ILE 34 HG21 ILE 34 0.660 7.995 2.558 123 HG22 ILE 34 HG22 ILE 34 1.030 9.611 1.960 124 HG23 ILE 34 HG23 ILE 34 1.716 8.196 1.159 125 HD11 ILE 34 HD11 ILE 34 -1.058 8.853 3.483 126 HD12 ILE 34 HD12 ILE 34 -1.976 7.535 2.760 127 HD13 ILE 34 HD13 ILE 34 -2.787 9.041 3.190 128 H HIS 35 HN HIS 35 2.445 9.884 -0.566 129 HA HIS 35 HA HIS 35 3.230 7.966 -2.607 130 HB2 HIS 35 HB2 HIS 35 4.469 10.320 -1.311 131 HB3 HIS 35 HB1 HIS 35 5.577 9.047 -1.806 132 HD1 HIS 35 HD1 HIS 35 4.964 12.049 -3.100 133 HD2 HIS 35 HD2 HIS 35 4.145 8.283 -4.652 134 HE1 HIS 35 HE1 HIS 35 4.817 12.332 -5.609 135 H PHE 36 HN PHE 36 3.895 6.004 -2.206 136 HA PHE 36 HA PHE 36 4.853 5.344 0.500 137 HB2 PHE 36 HB2 PHE 36 2.996 3.991 -1.364 138 HB3 PHE 36 HB1 PHE 36 4.109 2.945 -0.493 139 HD1 PHE 36 HD2 PHE 36 1.941 5.890 0.295 140 HD2 PHE 36 HD1 PHE 36 3.269 2.000 1.393 141 HE1 PHE 36 HE2 PHE 36 0.451 5.935 2.250 142 HE2 PHE 36 HE1 PHE 36 1.778 2.037 3.347 143 HZ PHE 36 HZ PHE 36 0.371 4.009 3.779 144 H LYS 37 HN LYS 37 6.912 4.776 0.641 145 HA LYS 37 HA LYS 37 8.226 3.587 -1.714 146 HB2 LYS 37 HB2 LYS 37 9.403 5.123 0.617 147 HB3 LYS 37 HB1 LYS 37 10.365 4.306 -0.608 148 HG2 LYS 37 HG2 LYS 37 9.343 5.742 -2.328 149 HG3 LYS 37 HG1 LYS 37 8.462 6.594 -1.059 150 HD2 LYS 37 HD2 LYS 37 10.584 7.256 -0.034 151 HD3 LYS 37 HD1 LYS 37 11.464 6.403 -1.305 152 HE2 LYS 37 HE2 LYS 37 10.466 7.879 -2.982 153 HE3 LYS 37 HE1 LYS 37 9.589 8.730 -1.711 154 HZ1 LYS 37 HZ1 LYS 37 12.544 8.587 -1.981 155 HZ2 LYS 37 HZ2 LYS 37 11.710 9.393 -0.751 156 HZ3 LYS 37 HZ3 LYS 37 11.579 9.927 -2.350 157 H VAL 38 HN VAL 38 8.195 1.444 -1.507 158 HA VAL 38 HA VAL 38 8.443 0.274 1.179 159 HB VAL 38 HB VAL 38 7.236 -0.842 -1.352 160 HG11 VAL 38 HG11 VAL 38 7.943 -2.180 1.216 161 HG12 VAL 38 HG12 VAL 38 8.044 -2.786 -0.437 162 HG13 VAL 38 HG13 VAL 38 6.478 -2.668 0.366 163 HG21 VAL 38 HG21 VAL 38 5.150 -0.800 -0.107 164 HG22 VAL 38 HG22 VAL 38 5.868 0.810 -0.172 165 HG23 VAL 38 HG23 VAL 38 5.988 -0.151 1.303 166 H LYS 39 HN LYS 39 10.163 -0.926 1.733 167 HA LYS 39 HA LYS 39 12.368 -1.258 -0.007 168 HB2 LYS 39 HB2 LYS 39 11.667 -1.996 2.734 169 HB3 LYS 39 HB1 LYS 39 12.677 -3.200 1.949 170 HG2 LYS 39 HG2 LYS 39 14.319 -1.448 1.418 171 HG3 LYS 39 HG1 LYS 39 13.312 -0.274 2.268 172 HD2 LYS 39 HD2 LYS 39 13.577 -1.501 4.341 173 HD3 LYS 39 HD1 LYS 39 14.495 -2.757 3.510 174 HE2 LYS 39 HE2 LYS 39 16.211 -1.077 2.938 175 HE3 LYS 39 HE1 LYS 39 15.304 0.129 3.850 176 HZ1 LYS 39 HZ1 LYS 39 15.609 -1.202 5.843 177 HZ2 LYS 39 HZ2 LYS 39 17.104 -0.806 5.161 178 HZ3 LYS 39 HZ3 LYS 39 16.474 -2.363 4.968 179 H MET 40 HN MET 40 12.990 -2.951 -1.310 180 HA MET 40 HA MET 40 10.929 -4.792 -2.090 181 HB2 MET 40 HB2 MET 40 13.756 -4.374 -3.046 182 HB3 MET 40 HB1 MET 40 12.708 -5.627 -3.697 183 HG2 MET 40 HG2 MET 40 11.080 -3.517 -3.950 184 HG3 MET 40 HG1 MET 40 12.638 -2.704 -4.083 185 HE1 MET 40 HE1 MET 40 14.257 -4.533 -7.136 186 HE2 MET 40 HE2 MET 40 14.526 -4.603 -5.394 187 HE3 MET 40 HE3 MET 40 14.323 -3.045 -6.193 188 H THR 41 HN THR 41 12.759 -4.905 0.516 189 HA THR 41 HA THR 41 13.346 -7.782 0.366 190 HB THR 41 HB THR 41 14.194 -6.053 2.667 191 HG1 THR 41 HG1 THR 41 15.661 -6.304 0.236 192 HG21 THR 41 HG21 THR 41 14.551 -8.470 2.798 193 HG22 THR 41 HG22 THR 41 16.089 -7.610 2.710 194 HG23 THR 41 HG23 THR 41 15.450 -8.426 1.282 195 H THR 42 HN THR 42 11.213 -5.466 1.663 196 HA THR 42 HA THR 42 10.233 -7.301 3.735 197 HB THR 42 HB THR 42 8.899 -5.348 4.536 198 HG1 THR 42 HG1 THR 42 9.290 -4.322 2.266 199 HG21 THR 42 HG21 THR 42 11.873 -4.861 4.332 200 HG22 THR 42 HG22 THR 42 11.078 -5.881 5.531 201 HG23 THR 42 HG23 THR 42 10.783 -4.143 5.519 202 H HIS 43 HN HIS 43 8.018 -7.808 3.886 203 HA HIS 43 HA HIS 43 6.728 -8.241 1.385 204 HB2 HIS 43 HB2 HIS 43 5.709 -8.594 4.212 205 HB3 HIS 43 HB1 HIS 43 4.868 -9.150 2.770 206 HD1 HIS 43 HD1 HIS 43 7.611 -10.062 5.097 207 HD2 HIS 43 HD2 HIS 43 6.099 -11.324 1.441 208 HE1 HIS 43 HE1 HIS 43 8.623 -12.338 4.660 209 H LEU 44 HN LEU 44 4.359 -7.658 1.086 210 HA LEU 44 HA LEU 44 4.133 -4.795 1.203 211 HB2 LEU 44 HB2 LEU 44 2.278 -6.922 0.151 212 HB3 LEU 44 HB1 LEU 44 1.942 -5.205 0.050 213 HG LEU 44 HG LEU 44 4.244 -6.645 -1.263 214 HD11 LEU 44 HD11 LEU 44 3.114 -6.440 -3.273 215 HD12 LEU 44 HD12 LEU 44 2.036 -5.190 -2.655 216 HD13 LEU 44 HD13 LEU 44 1.827 -6.864 -2.145 217 HD21 LEU 44 HD21 LEU 44 4.982 -4.453 -0.659 218 HD22 LEU 44 HD22 LEU 44 3.480 -3.731 -1.236 219 HD23 LEU 44 HD23 LEU 44 4.614 -4.445 -2.383 220 H LYS 45 HN LYS 45 3.544 -7.097 3.455 221 HA LYS 45 HA LYS 45 1.013 -6.285 4.464 222 HB2 LYS 45 HB2 LYS 45 2.226 -8.473 4.953 223 HB3 LYS 45 HB1 LYS 45 3.226 -7.556 6.074 224 HG2 LYS 45 HG2 LYS 45 1.346 -7.012 7.429 225 HG3 LYS 45 HG1 LYS 45 0.227 -7.671 6.236 226 HD2 LYS 45 HD2 LYS 45 1.226 -9.905 6.591 227 HD3 LYS 45 HD1 LYS 45 2.251 -9.215 7.852 228 HE2 LYS 45 HE2 LYS 45 0.312 -8.618 9.160 229 HE3 LYS 45 HE1 LYS 45 -0.762 -9.152 7.868 230 HZ1 LYS 45 HZ1 LYS 45 -0.592 -10.803 9.617 231 HZ2 LYS 45 HZ2 LYS 45 1.084 -10.895 9.407 232 HZ3 LYS 45 HZ3 LYS 45 0.048 -11.403 8.171 233 H LYS 46 HN LYS 46 4.302 -5.189 4.886 234 HA LYS 46 HA LYS 46 3.818 -3.554 7.169 235 HB2 LYS 46 HB2 LYS 46 6.026 -3.664 5.125 236 HB3 LYS 46 HB1 LYS 46 5.993 -2.428 6.375 237 HG2 LYS 46 HG2 LYS 46 5.967 -5.389 6.918 238 HG3 LYS 46 HG1 LYS 46 7.417 -4.384 6.920 239 HD2 LYS 46 HD2 LYS 46 6.438 -3.004 8.706 240 HD3 LYS 46 HD1 LYS 46 5.014 -4.046 8.717 241 HE2 LYS 46 HE2 LYS 46 6.448 -5.960 9.308 242 HE3 LYS 46 HE1 LYS 46 7.842 -4.881 9.355 243 HZ1 LYS 46 HZ1 LYS 46 6.949 -5.277 11.565 244 HZ2 LYS 46 HZ2 LYS 46 5.440 -4.676 11.093 245 HZ3 LYS 46 HZ3 LYS 46 6.781 -3.647 11.141 246 H LEU 47 HN LEU 47 3.531 -3.161 3.728 247 HA LEU 47 HA LEU 47 3.247 -0.330 3.678 248 HB2 LEU 47 HB2 LEU 47 3.766 -1.220 1.600 249 HB3 LEU 47 HB1 LEU 47 2.700 -2.594 1.803 250 HG LEU 47 HG LEU 47 1.319 0.000 1.595 251 HD11 LEU 47 HD11 LEU 47 1.633 0.194 -0.806 252 HD12 LEU 47 HD12 LEU 47 2.771 -1.151 -0.782 253 HD13 LEU 47 HD13 LEU 47 3.176 0.360 0.031 254 HD21 LEU 47 HD21 LEU 47 -0.129 -1.300 0.119 255 HD22 LEU 47 HD22 LEU 47 0.143 -2.147 1.641 256 HD23 LEU 47 HD23 LEU 47 1.002 -2.651 0.185 257 H LYS 48 HN LYS 48 1.071 -3.053 4.010 258 HA LYS 48 HA LYS 48 -1.367 -1.617 3.878 259 HB2 LYS 48 HB2 LYS 48 -0.777 -4.199 3.723 260 HB3 LYS 48 HB1 LYS 48 -1.126 -4.146 5.443 261 HG2 LYS 48 HG2 LYS 48 -3.357 -3.326 5.003 262 HG3 LYS 48 HG1 LYS 48 -3.013 -3.255 3.272 263 HD2 LYS 48 HD2 LYS 48 -2.729 -5.655 3.191 264 HD3 LYS 48 HD1 LYS 48 -2.931 -5.768 4.941 265 HE2 LYS 48 HE2 LYS 48 -5.223 -4.892 4.703 266 HE3 LYS 48 HE1 LYS 48 -5.011 -4.865 2.952 267 HZ1 LYS 48 HZ1 LYS 48 -4.857 -7.291 4.659 268 HZ2 LYS 48 HZ2 LYS 48 -4.704 -7.251 2.975 269 HZ3 LYS 48 HZ3 LYS 48 -6.181 -6.853 3.698 270 H GLU 49 HN GLU 49 0.775 -2.567 6.519 271 HA GLU 49 HA GLU 49 -0.937 -1.751 8.634 272 HB2 GLU 49 HB2 GLU 49 2.050 -2.188 8.529 273 HB3 GLU 49 HB1 GLU 49 1.170 -1.829 10.007 274 HG2 GLU 49 HG2 GLU 49 -0.058 -3.875 9.848 275 HG3 GLU 49 HG1 GLU 49 0.609 -4.204 8.249 276 H SER 50 HN SER 50 1.660 -0.166 6.846 277 HA SER 50 HA SER 50 1.797 2.160 8.448 278 HB2 SER 50 HB2 SER 50 2.617 1.673 5.580 279 HB3 SER 50 HB1 SER 50 2.991 3.144 6.478 280 HG SER 50 HG SER 50 3.950 0.529 6.854 281 H TYR 51 HN TYR 51 -0.095 1.340 5.579 282 HA TYR 51 HA TYR 51 -1.130 3.961 5.181 283 HB2 TYR 51 HB2 TYR 51 -1.033 2.124 3.448 284 HB3 TYR 51 HB1 TYR 51 -2.394 1.372 4.274 285 HD1 TYR 51 HD1 TYR 51 -1.515 4.817 3.081 286 HD2 TYR 51 HD2 TYR 51 -4.422 1.717 3.250 287 HE1 TYR 51 HE1 TYR 51 -3.064 6.205 1.772 288 HE2 TYR 51 HE2 TYR 51 -5.979 3.099 1.941 289 HH TYR 51 HH TYR 51 -4.997 5.969 0.353 290 H CYS 52 HN CYS 52 -2.229 1.143 6.984 291 HA CYS 52 HA CYS 52 -4.827 2.109 7.552 292 HB2 CYS 52 HB2 CYS 52 -3.099 -0.002 8.822 293 HB3 CYS 52 HB1 CYS 52 -4.706 0.379 9.433 294 HG CYS 52 HG CYS 52 -6.116 -0.591 7.386 295 H GLN 53 HN GLN 53 -1.756 2.363 9.326 296 HA GLN 53 HA GLN 53 -3.005 3.640 11.576 297 HB2 GLN 53 HB2 GLN 53 -0.714 3.980 12.414 298 HB3 GLN 53 HB1 GLN 53 -1.022 2.313 11.958 299 HG2 GLN 53 HG2 GLN 53 0.978 2.502 10.966 300 HG3 GLN 53 HG1 GLN 53 0.035 3.224 9.665 301 HE21 GLN 53 HE21 GLN 53 1.755 4.448 8.937 302 HE22 GLN 53 HE22 GLN 53 2.349 5.824 9.799 303 H ARG 54 HN ARG 54 -1.505 4.725 8.624 304 HA ARG 54 HA ARG 54 -1.319 7.476 9.544 305 HB2 ARG 54 HB2 ARG 54 0.352 6.326 7.989 306 HB3 ARG 54 HB1 ARG 54 -0.869 6.473 6.735 307 HG2 ARG 54 HG2 ARG 54 0.567 8.293 6.422 308 HG3 ARG 54 HG1 ARG 54 -0.856 8.965 7.219 309 HD2 ARG 54 HD2 ARG 54 1.051 9.915 8.272 310 HD3 ARG 54 HD1 ARG 54 0.373 8.737 9.394 311 HE ARG 54 HE ARG 54 2.471 7.703 7.709 312 HH11 ARG 54 HH11 ARG 54 1.722 9.304 10.717 313 HH12 ARG 54 HH12 ARG 54 3.188 8.809 11.493 314 HH21 ARG 54 HH21 ARG 54 4.406 7.053 8.727 315 HH22 ARG 54 HH22 ARG 54 4.713 7.529 10.362 316 H GLN 55 HN GLN 55 -3.838 5.623 8.592 317 HA GLN 55 HA GLN 55 -5.223 7.934 7.409 318 HB2 GLN 55 HB2 GLN 55 -4.603 6.071 5.769 319 HB3 GLN 55 HB1 GLN 55 -5.796 5.090 6.604 320 HG2 GLN 55 HG2 GLN 55 -6.812 6.001 4.659 321 HG3 GLN 55 HG1 GLN 55 -7.503 6.813 6.063 322 HE21 GLN 55 HE21 GLN 55 -7.112 8.975 6.385 323 HE22 GLN 55 HE22 GLN 55 -6.381 9.987 5.192 324 H GLY 56 HN GLY 56 -5.215 5.491 9.815 325 HA2 GLY 56 HA2 GLY 56 -6.726 5.048 11.497 326 HA3 GLY 56 HA1 GLY 56 -7.593 6.486 10.995 327 H VAL 57 HN VAL 57 -6.986 3.242 9.628 328 HA VAL 57 HA VAL 57 -9.862 2.758 9.492 329 HB VAL 57 HB VAL 57 -8.065 2.745 7.053 330 HG11 VAL 57 HG11 VAL 57 -10.124 2.051 5.852 331 HG12 VAL 57 HG12 VAL 57 -10.905 1.810 7.414 332 HG13 VAL 57 HG13 VAL 57 -9.505 0.834 6.967 333 HG21 VAL 57 HG21 VAL 57 -9.638 4.409 6.191 334 HG22 VAL 57 HG22 VAL 57 -8.883 4.960 7.687 335 HG23 VAL 57 HG23 VAL 57 -10.536 4.348 7.708 336 HA PRO 58 HA PRO 58 -8.268 -1.167 10.897 337 HB2 PRO 58 HB2 PRO 58 -10.430 -2.694 10.278 338 HB3 PRO 58 HB1 PRO 58 -10.344 -1.636 11.695 339 HG2 PRO 58 HG2 PRO 58 -11.446 -1.011 8.997 340 HG3 PRO 58 HG1 PRO 58 -12.290 -0.850 10.536 341 HD2 PRO 58 HD2 PRO 58 -11.172 1.298 9.522 342 HD3 PRO 58 HD1 PRO 58 -10.825 0.910 11.224 343 H MET 59 HN MET 59 -7.108 -2.737 10.078 344 HA MET 59 HA MET 59 -6.053 -2.831 7.622 345 HB2 MET 59 HB2 MET 59 -5.410 -4.173 9.641 346 HB3 MET 59 HB1 MET 59 -6.664 -5.319 9.207 347 HG2 MET 59 HG2 MET 59 -4.651 -6.235 8.427 348 HG3 MET 59 HG1 MET 59 -5.468 -5.601 6.999 349 HE1 MET 59 HE1 MET 59 -3.664 -3.083 9.572 350 HE2 MET 59 HE2 MET 59 -1.993 -3.479 9.170 351 HE3 MET 59 HE3 MET 59 -3.049 -4.712 9.857 352 H ASN 60 HN ASN 60 -9.124 -4.289 8.480 353 HA ASN 60 HA ASN 60 -9.381 -5.739 6.010 354 HB2 ASN 60 HB2 ASN 60 -11.611 -6.335 6.843 355 HB3 ASN 60 HB1 ASN 60 -10.370 -6.621 8.058 356 HD21 ASN 60 HD21 ASN 60 -13.368 -5.347 7.516 357 HD22 ASN 60 HD22 ASN 60 -13.496 -4.322 8.902 358 H SER 61 HN SER 61 -11.201 -3.085 7.481 359 HA SER 61 HA SER 61 -13.106 -2.350 5.947 360 HB2 SER 61 HB2 SER 61 -12.204 -0.937 7.657 361 HB3 SER 61 HB1 SER 61 -10.905 -0.387 6.616 362 HG SER 61 HG SER 61 -13.584 0.304 6.744 363 H LEU 62 HN LEU 62 -9.792 -1.961 4.682 364 HA LEU 62 HA LEU 62 -10.969 -1.024 2.173 365 HB2 LEU 62 HB2 LEU 62 -8.042 -1.207 2.752 366 HB3 LEU 62 HB1 LEU 62 -8.857 -0.214 1.568 367 HG LEU 62 HG LEU 62 -8.866 0.203 4.558 368 HD11 LEU 62 HD11 LEU 62 -7.734 1.924 2.368 369 HD12 LEU 62 HD12 LEU 62 -6.786 0.700 3.214 370 HD13 LEU 62 HD13 LEU 62 -7.471 2.059 4.106 371 HD21 LEU 62 HD21 LEU 62 -9.981 2.382 3.871 372 HD22 LEU 62 HD22 LEU 62 -10.984 0.934 3.794 373 HD23 LEU 62 HD23 LEU 62 -10.302 1.613 2.317 374 H ARG 63 HN ARG 63 -8.884 -1.666 0.479 375 HA ARG 63 HA ARG 63 -8.210 -4.418 0.341 376 HB2 ARG 63 HB2 ARG 63 -10.565 -4.743 -0.242 377 HB3 ARG 63 HB1 ARG 63 -10.488 -3.428 -1.407 378 HG2 ARG 63 HG2 ARG 63 -8.758 -4.803 -2.641 379 HG3 ARG 63 HG1 ARG 63 -9.211 -6.140 -1.584 380 HD2 ARG 63 HD2 ARG 63 -11.245 -4.628 -3.199 381 HD3 ARG 63 HD1 ARG 63 -10.348 -5.982 -3.874 382 HE ARG 63 HE ARG 63 -11.509 -6.800 -1.462 383 HH11 ARG 63 HH11 ARG 63 -12.453 -5.843 -4.677 384 HH12 ARG 63 HH12 ARG 63 -13.895 -6.802 -4.682 385 HH21 ARG 63 HH21 ARG 63 -13.400 -8.090 -1.467 386 HH22 ARG 63 HH22 ARG 63 -14.434 -8.080 -2.856 387 H PHE 64 HN PHE 64 -6.464 -4.505 -1.051 388 HA PHE 64 HA PHE 64 -5.978 -2.105 -2.693 389 HB2 PHE 64 HB2 PHE 64 -3.907 -3.977 -1.535 390 HB3 PHE 64 HB1 PHE 64 -3.608 -2.451 -2.359 391 HD1 PHE 64 HD1 PHE 64 -5.501 -3.773 0.578 392 HD2 PHE 64 HD2 PHE 64 -3.196 -0.594 -1.074 393 HE1 PHE 64 HE1 PHE 64 -5.633 -2.577 2.736 394 HE2 PHE 64 HE2 PHE 64 -3.321 0.617 1.076 395 HZ PHE 64 HZ PHE 64 -4.542 -0.376 2.987 396 H LEU 65 HN LEU 65 -5.278 -2.312 -4.801 397 HA LEU 65 HA LEU 65 -5.143 -5.053 -5.857 398 HB2 LEU 65 HB2 LEU 65 -6.439 -2.780 -7.315 399 HB3 LEU 65 HB1 LEU 65 -6.445 -4.470 -7.750 400 HG LEU 65 HG LEU 65 -7.935 -3.237 -5.429 401 HD11 LEU 65 HD11 LEU 65 -9.888 -3.586 -6.760 402 HD12 LEU 65 HD12 LEU 65 -8.964 -4.443 -7.994 403 HD13 LEU 65 HD13 LEU 65 -8.721 -2.713 -7.754 404 HD21 LEU 65 HD21 LEU 65 -7.251 -5.518 -4.917 405 HD22 LEU 65 HD22 LEU 65 -7.867 -6.072 -6.476 406 HD23 LEU 65 HD23 LEU 65 -8.982 -5.464 -5.253 407 H PHE 66 HN PHE 66 -4.146 -5.302 -7.930 408 HA PHE 66 HA PHE 66 -2.475 -3.162 -8.962 409 HB2 PHE 66 HB2 PHE 66 -1.039 -4.176 -7.235 410 HB3 PHE 66 HB1 PHE 66 -1.300 -5.767 -7.941 411 HD1 PHE 66 HD1 PHE 66 -0.340 -2.401 -9.243 412 HD2 PHE 66 HD2 PHE 66 0.535 -6.565 -9.051 413 HE1 PHE 66 HE1 PHE 66 1.587 -2.057 -10.752 414 HE2 PHE 66 HE2 PHE 66 2.466 -6.239 -10.563 415 HZ PHE 66 HZ PHE 66 2.993 -3.979 -11.416 416 H GLU 67 HN GLU 67 -1.982 -3.506 -11.148 417 HA GLU 67 HA GLU 67 -2.499 -4.240 -13.264 418 HB2 GLU 67 HB2 GLU 67 -1.823 -6.820 -11.842 419 HB3 GLU 67 HB1 GLU 67 -2.149 -6.752 -13.564 420 HG2 GLU 67 HG2 GLU 67 -0.242 -5.230 -13.849 421 HG3 GLU 67 HG1 GLU 67 0.091 -5.348 -12.122 422 H GLY 68 HN GLY 68 -4.671 -3.936 -11.327 423 HA2 GLY 68 HA2 GLY 68 -6.979 -4.151 -11.617 424 HA3 GLY 68 HA1 GLY 68 -6.686 -5.420 -12.799 425 H GLN 69 HN GLN 69 -5.128 -7.189 -11.316 426 HA GLN 69 HA GLN 69 -7.190 -8.386 -9.733 427 HB2 GLN 69 HB2 GLN 69 -4.409 -9.285 -10.430 428 HB3 GLN 69 HB1 GLN 69 -5.485 -10.220 -9.400 429 HG2 GLN 69 HG2 GLN 69 -7.163 -10.075 -11.321 430 HG3 GLN 69 HG1 GLN 69 -5.804 -9.536 -12.302 431 HE21 GLN 69 HE21 GLN 69 -7.591 -12.130 -11.566 432 HE22 GLN 69 HE22 GLN 69 -6.443 -13.392 -11.838 433 H ARG 70 HN ARG 70 -7.152 -9.054 -7.631 434 HA ARG 70 HA ARG 70 -6.447 -7.211 -5.725 435 HB2 ARG 70 HB2 ARG 70 -8.132 -9.043 -5.542 436 HB3 ARG 70 HB1 ARG 70 -6.809 -10.158 -5.245 437 HG2 ARG 70 HG2 ARG 70 -6.342 -9.246 -3.170 438 HG3 ARG 70 HG1 ARG 70 -7.196 -7.741 -3.537 439 HD2 ARG 70 HD2 ARG 70 -9.296 -9.137 -3.704 440 HD3 ARG 70 HD1 ARG 70 -8.363 -10.456 -2.996 441 HE ARG 70 HE ARG 70 -7.978 -8.363 -1.295 442 HH11 ARG 70 HH11 ARG 70 -10.776 -10.004 -2.558 443 HH12 ARG 70 HH12 ARG 70 -11.747 -9.701 -1.156 444 HH21 ARG 70 HH21 ARG 70 -9.246 -7.948 0.555 445 HH22 ARG 70 HH22 ARG 70 -10.877 -8.527 0.616 446 H ILE 71 HN ILE 71 -5.124 -7.629 -3.737 447 HA ILE 71 HA ILE 71 -2.478 -8.661 -4.511 448 HB ILE 71 HB ILE 71 -3.186 -6.281 -2.805 449 HG12 ILE 71 HG12 ILE 71 -1.441 -6.657 -5.250 450 HG13 ILE 71 HG11 ILE 71 -3.041 -5.926 -5.229 451 HG21 ILE 71 HG21 ILE 71 -1.483 -7.570 -1.627 452 HG22 ILE 71 HG22 ILE 71 -0.798 -6.082 -2.284 453 HG23 ILE 71 HG23 ILE 71 -0.498 -7.622 -3.089 454 HD11 ILE 71 HD11 ILE 71 -1.497 -4.155 -5.341 455 HD12 ILE 71 HD12 ILE 71 -0.495 -4.844 -4.067 456 HD13 ILE 71 HD13 ILE 71 -2.082 -4.181 -3.678 457 H ALA 72 HN ALA 72 -1.700 -10.244 -3.379 458 HA ALA 72 HA ALA 72 -3.010 -11.476 -1.218 459 HB1 ALA 72 HB1 ALA 72 -1.557 -12.712 -2.793 460 HB2 ALA 72 HB2 ALA 72 -1.069 -12.960 -1.117 461 HB3 ALA 72 HB3 ALA 72 -0.152 -11.861 -2.147 462 H ASP 73 HN ASP 73 -2.313 -11.680 0.949 463 HA ASP 73 HA ASP 73 -1.370 -9.241 2.081 464 HB2 ASP 73 HB2 ASP 73 -3.069 -10.977 3.006 465 HB3 ASP 73 HB1 ASP 73 -1.638 -11.814 3.600 466 H ASN 74 HN ASN 74 0.122 -12.185 1.109 467 HA ASN 74 HA ASN 74 2.582 -11.576 2.600 468 HB2 ASN 74 HB2 ASN 74 1.618 -14.077 1.211 469 HB3 ASN 74 HB1 ASN 74 3.260 -13.893 1.819 470 HD21 ASN 74 HD21 ASN 74 1.761 -12.136 3.951 471 HD22 ASN 74 HD22 ASN 74 1.293 -13.318 5.119 472 H HIS 75 HN HIS 75 1.214 -10.912 -0.276 473 HA HIS 75 HA HIS 75 3.033 -11.493 -2.269 474 HB2 HIS 75 HB2 HIS 75 0.751 -9.861 -1.967 475 HB3 HIS 75 HB1 HIS 75 2.013 -8.820 -2.615 476 HD1 HIS 75 HD1 HIS 75 3.392 -10.377 -4.653 477 HD2 HIS 75 HD2 HIS 75 -0.670 -10.865 -4.047 478 HE1 HIS 75 HE1 HIS 75 2.485 -11.340 -6.800 479 H THR 76 HN THR 76 4.391 -9.840 -3.437 480 HA THR 76 HA THR 76 5.626 -7.629 -2.208 481 HB THR 76 HB THR 76 7.205 -10.236 -2.072 482 HG1 THR 76 HG1 THR 76 7.348 -9.618 0.178 483 HG21 THR 76 HG21 THR 76 8.508 -8.247 -2.903 484 HG22 THR 76 HG22 THR 76 9.110 -8.945 -1.401 485 HG23 THR 76 HG23 THR 76 8.161 -7.460 -1.364 486 HA PRO 77 HA PRO 77 6.542 -7.126 -6.520 487 HB2 PRO 77 HB2 PRO 77 9.201 -6.222 -5.425 488 HB3 PRO 77 HB1 PRO 77 8.247 -5.529 -6.752 489 HG2 PRO 77 HG2 PRO 77 8.059 -4.360 -4.434 490 HG3 PRO 77 HG1 PRO 77 6.543 -4.787 -5.261 491 HD2 PRO 77 HD2 PRO 77 7.938 -6.251 -3.017 492 HD3 PRO 77 HD1 PRO 77 6.213 -5.857 -3.181 493 H LYS 78 HN LYS 78 8.284 -9.056 -4.359 494 HA LYS 78 HA LYS 78 10.205 -10.303 -5.992 495 HB2 LYS 78 HB2 LYS 78 10.150 -10.543 -3.537 496 HB3 LYS 78 HB1 LYS 78 8.597 -11.353 -3.637 497 HG2 LYS 78 HG2 LYS 78 9.689 -13.209 -4.857 498 HG3 LYS 78 HG1 LYS 78 11.244 -12.403 -4.617 499 HD2 LYS 78 HD2 LYS 78 10.994 -12.557 -2.211 500 HD3 LYS 78 HD1 LYS 78 9.380 -13.246 -2.394 501 HE2 LYS 78 HE2 LYS 78 10.382 -15.177 -3.573 502 HE3 LYS 78 HE1 LYS 78 11.981 -14.498 -3.270 503 HZ1 LYS 78 HZ1 LYS 78 10.029 -15.326 -1.186 504 HZ2 LYS 78 HZ2 LYS 78 11.560 -14.671 -0.891 505 HZ3 LYS 78 HZ3 LYS 78 11.417 -16.183 -1.635 506 H GLU 79 HN GLU 79 6.792 -10.399 -5.782 507 HA GLU 79 HA GLU 79 6.631 -12.716 -7.578 508 HB2 GLU 79 HB2 GLU 79 4.451 -11.651 -5.784 509 HB3 GLU 79 HB1 GLU 79 4.427 -13.143 -6.709 510 HG2 GLU 79 HG2 GLU 79 6.236 -12.536 -4.385 511 HG3 GLU 79 HG1 GLU 79 4.795 -13.552 -4.345 512 H LEU 80 HN LEU 80 5.582 -9.414 -7.001 513 HA LEU 80 HA LEU 80 3.872 -9.400 -9.341 514 HB2 LEU 80 HB2 LEU 80 4.508 -7.330 -7.270 515 HB3 LEU 80 HB1 LEU 80 3.511 -6.995 -8.674 516 HG LEU 80 HG LEU 80 2.889 -9.083 -6.580 517 HD11 LEU 80 HD11 LEU 80 2.693 -6.853 -5.647 518 HD12 LEU 80 HD12 LEU 80 1.088 -7.528 -5.930 519 HD13 LEU 80 HD13 LEU 80 1.749 -6.327 -7.040 520 HD21 LEU 80 HD21 LEU 80 1.634 -8.198 -9.138 521 HD22 LEU 80 HD22 LEU 80 0.613 -8.775 -7.822 522 HD23 LEU 80 HD23 LEU 80 1.856 -9.827 -8.499 523 H GLY 81 HN GLY 81 7.134 -8.757 -8.764 524 HA2 GLY 81 HA2 GLY 81 8.762 -7.689 -9.999 525 HA3 GLY 81 HA1 GLY 81 7.762 -8.123 -11.379 526 H MET 82 HN MET 82 6.626 -6.032 -8.833 527 HA MET 82 HA MET 82 5.837 -4.002 -10.611 528 HB2 MET 82 HB2 MET 82 6.352 -3.788 -7.636 529 HB3 MET 82 HB1 MET 82 5.402 -2.671 -8.602 530 HG2 MET 82 HG2 MET 82 3.848 -4.556 -9.106 531 HG3 MET 82 HG1 MET 82 4.751 -5.527 -7.948 532 HE1 MET 82 HE1 MET 82 3.335 -4.976 -4.774 533 HE2 MET 82 HE2 MET 82 4.822 -4.048 -4.938 534 HE3 MET 82 HE3 MET 82 4.649 -5.591 -5.777 535 H GLU 83 HN GLU 83 7.123 -2.632 -11.693 536 HA GLU 83 HA GLU 83 9.870 -2.205 -10.970 537 HB2 GLU 83 HB2 GLU 83 8.117 -1.603 -13.198 538 HB3 GLU 83 HB1 GLU 83 9.060 -0.189 -12.764 539 HG2 GLU 83 HG2 GLU 83 11.144 -1.456 -13.060 540 HG3 GLU 83 HG1 GLU 83 10.226 -2.912 -13.423 541 H GLU 84 HN GLU 84 9.867 0.692 -11.597 542 HA GLU 84 HA GLU 84 8.981 1.635 -8.957 543 HB2 GLU 84 HB2 GLU 84 10.502 3.219 -11.040 544 HB3 GLU 84 HB1 GLU 84 10.379 3.552 -9.324 545 HG2 GLU 84 HG2 GLU 84 12.502 2.741 -9.437 546 HG3 GLU 84 HG1 GLU 84 11.620 1.252 -9.106 547 H GLU 85 HN GLU 85 7.951 3.887 -9.025 548 HA GLU 85 HA GLU 85 6.324 5.321 -9.702 549 HB2 GLU 85 HB2 GLU 85 7.738 5.553 -11.715 550 HB3 GLU 85 HB1 GLU 85 6.868 4.225 -12.463 551 HG2 GLU 85 HG2 GLU 85 6.050 6.286 -13.343 552 HG3 GLU 85 HG1 GLU 85 4.795 5.569 -12.332 553 H ASP 86 HN ASP 86 5.980 2.053 -9.789 554 HA ASP 86 HA ASP 86 3.661 1.475 -11.137 555 HB2 ASP 86 HB2 ASP 86 5.028 0.369 -8.783 556 HB3 ASP 86 HB1 ASP 86 3.304 0.021 -8.853 557 H VAL 87 HN VAL 87 1.537 0.862 -9.975 558 HA VAL 87 HA VAL 87 0.705 2.979 -8.122 559 HB VAL 87 HB VAL 87 -0.703 2.284 -10.713 560 HG11 VAL 87 HG11 VAL 87 -2.318 2.513 -8.889 561 HG12 VAL 87 HG12 VAL 87 -2.427 3.876 -10.003 562 HG13 VAL 87 HG13 VAL 87 -1.611 4.068 -8.452 563 HG21 VAL 87 HG21 VAL 87 1.164 3.870 -10.908 564 HG22 VAL 87 HG22 VAL 87 0.419 4.887 -9.675 565 HG23 VAL 87 HG23 VAL 87 -0.388 4.646 -11.224 566 H ILE 88 HN ILE 88 -0.969 2.424 -6.758 567 HA ILE 88 HA ILE 88 -2.081 -0.293 -7.005 568 HB ILE 88 HB ILE 88 -1.090 1.011 -4.439 569 HG12 ILE 88 HG12 ILE 88 -0.291 -1.519 -5.902 570 HG13 ILE 88 HG11 ILE 88 0.699 -0.081 -5.682 571 HG21 ILE 88 HG21 ILE 88 -2.577 -1.592 -4.842 572 HG22 ILE 88 HG22 ILE 88 -3.245 -0.131 -4.115 573 HG23 ILE 88 HG23 ILE 88 -1.935 -0.995 -3.311 574 HD11 ILE 88 HD11 ILE 88 -0.223 -1.950 -3.504 575 HD12 ILE 88 HD12 ILE 88 0.743 -0.494 -3.264 576 HD13 ILE 88 HD13 ILE 88 1.403 -1.850 -4.180 577 H GLU 89 HN GLU 89 -4.237 -0.376 -6.619 578 HA GLU 89 HA GLU 89 -5.591 2.170 -6.028 579 HB2 GLU 89 HB2 GLU 89 -6.066 0.052 -7.928 580 HB3 GLU 89 HB1 GLU 89 -7.426 0.189 -6.837 581 HG2 GLU 89 HG2 GLU 89 -8.018 1.574 -8.583 582 HG3 GLU 89 HG1 GLU 89 -7.373 2.690 -7.383 583 H VAL 90 HN VAL 90 -7.049 2.282 -4.339 584 HA VAL 90 HA VAL 90 -7.329 -0.156 -2.676 585 HB VAL 90 HB VAL 90 -7.421 2.692 -1.619 586 HG11 VAL 90 HG11 VAL 90 -7.033 1.501 0.554 587 HG12 VAL 90 HG12 VAL 90 -7.235 -0.022 -0.309 588 HG13 VAL 90 HG13 VAL 90 -8.573 1.123 -0.217 589 HG21 VAL 90 HG21 VAL 90 -5.098 0.775 -1.540 590 HG22 VAL 90 HG22 VAL 90 -5.174 2.348 -0.745 591 HG23 VAL 90 HG23 VAL 90 -5.186 2.247 -2.506 592 H TYR 91 HN TYR 91 -9.428 -0.691 -2.241 593 HA TYR 91 HA TYR 91 -11.478 1.309 -2.936 594 HB2 TYR 91 HB2 TYR 91 -11.536 -1.668 -3.472 595 HB3 TYR 91 HB1 TYR 91 -12.910 -0.592 -3.685 596 HD1 TYR 91 HD1 TYR 91 -9.439 -1.224 -4.872 597 HD2 TYR 91 HD2 TYR 91 -13.226 0.553 -5.700 598 HE1 TYR 91 HE1 TYR 91 -8.721 -0.776 -7.193 599 HE2 TYR 91 HE2 TYR 91 -12.509 1.020 -8.020 600 HH TYR 91 HH TYR 91 -10.337 1.339 -9.257 601 H GLN 92 HN GLN 92 -13.097 1.555 -1.504 602 HA GLN 92 HA GLN 92 -12.855 0.648 1.147 603 HB2 GLN 92 HB2 GLN 92 -14.152 2.628 0.670 604 HB3 GLN 92 HB1 GLN 92 -15.169 1.762 -0.464 605 HG2 GLN 92 HG2 GLN 92 -16.395 2.257 1.538 606 HG3 GLN 92 HG1 GLN 92 -16.165 0.517 1.395 607 HE21 GLN 92 HE21 GLN 92 -16.537 0.224 3.588 608 HE22 GLN 92 HE22 GLN 92 -15.367 0.653 4.785 609 H GLU 93 HN GLU 93 -13.589 -1.269 2.079 610 HA GLU 93 HA GLU 93 -14.425 -3.322 0.238 611 HB2 GLU 93 HB2 GLU 93 -12.856 -3.635 2.251 612 HB3 GLU 93 HB1 GLU 93 -14.317 -3.635 3.231 613 HG2 GLU 93 HG2 GLU 93 -13.601 -5.905 2.698 614 HG3 GLU 93 HG1 GLU 93 -15.177 -5.546 1.995 615 H GLN 94 HN GLN 94 -16.338 -4.367 0.154 616 HA GLN 94 HA GLN 94 -18.579 -3.560 1.830 617 HB2 GLN 94 HB2 GLN 94 -19.923 -2.898 -0.123 618 HB3 GLN 94 HB1 GLN 94 -18.501 -1.867 0.034 619 HG2 GLN 94 HG2 GLN 94 -17.352 -3.389 -1.603 620 HG3 GLN 94 HG1 GLN 94 -18.920 -4.143 -1.882 621 HE21 GLN 94 HE21 GLN 94 -20.091 -3.357 -3.449 622 HE22 GLN 94 HE22 GLN 94 -19.921 -1.792 -4.160 623 H THR 95 HN THR 95 -20.582 -4.768 1.012 624 HA THR 95 HA THR 95 -20.048 -7.284 -0.386 625 HB THR 95 HB THR 95 -21.137 -8.625 1.356 626 HG1 THR 95 HG1 THR 95 -22.482 -7.068 2.295 627 HG21 THR 95 HG21 THR 95 -19.432 -8.494 3.127 628 HG22 THR 95 HG22 THR 95 -18.913 -6.928 2.506 629 HG23 THR 95 HG23 THR 95 -18.705 -8.378 1.525 630 H GLY 96 HN GLY 96 -22.209 -8.406 -0.800 631 HA2 GLY 96 HA2 GLY 96 -24.054 -6.543 -1.885 632 HA3 GLY 96 HA1 GLY 96 -24.310 -8.278 -1.744 633 H GLY 97 HN GLY 97 -26.546 -7.425 -1.325 634 HA2 GLY 97 HA2 GLY 97 -27.032 -7.415 1.549 635 HA3 GLY 97 HA1 GLY 97 -27.575 -5.976 0.684 636 H1 ASP2705 HT1 ASP2705 10.494 1.727 13.198 637 H2 ASP2705 HT2 ASP2705 9.344 1.090 12.134 638 H3 ASP2705 HT3 ASP2705 10.977 1.122 11.694 639 HA ASP2705 HA ASP2705 9.832 -0.451 13.925 640 HB2 ASP2705 HB2 ASP2705 9.369 -1.104 11.435 641 HB3 ASP2705 HB1 ASP2705 11.055 -1.607 11.437 642 H ASN2706 HN ASN2706 11.422 -2.148 14.623 643 HA ASN2706 HA ASN2706 13.964 -0.866 15.139 644 HB2 ASN2706 HB2 ASN2706 12.618 -2.073 16.896 645 HB3 ASN2706 HB1 ASN2706 13.013 -3.580 16.074 646 HD21 ASN2706 HD21 ASN2706 14.162 -4.447 17.744 647 HD22 ASN2706 HD22 ASN2706 15.689 -3.832 18.268 648 H GLU2707 HN GLU2707 12.733 -3.622 13.324 649 HA GLU2707 HA GLU2707 15.443 -4.424 12.593 650 HB2 GLU2707 HB2 GLU2707 12.795 -5.691 11.871 651 HB3 GLU2707 HB1 GLU2707 14.386 -6.373 11.563 652 HG2 GLU2707 HG2 GLU2707 14.798 -6.561 13.944 653 HG3 GLU2707 HG1 GLU2707 13.244 -5.803 14.289 654 H ILE2708 HN ILE2708 12.464 -4.232 10.618 655 HA ILE2708 HA ILE2708 13.880 -2.527 8.700 656 HB ILE2708 HB ILE2708 12.283 -4.602 7.370 657 HG12 ILE2708 HG12 ILE2708 14.946 -5.389 8.581 658 HG13 ILE2708 HG11 ILE2708 13.387 -5.940 9.183 659 HG21 ILE2708 HG21 ILE2708 14.204 -4.561 5.834 660 HG22 ILE2708 HG22 ILE2708 15.052 -3.487 6.947 661 HG23 ILE2708 HG23 ILE2708 13.569 -2.948 6.161 662 HD11 ILE2708 HD11 ILE2708 14.472 -7.615 7.786 663 HD12 ILE2708 HD12 ILE2708 14.493 -6.479 6.436 664 HD13 ILE2708 HD13 ILE2708 12.955 -7.064 7.073 665 H GLU2709 HN GLU2709 12.516 -1.298 7.327 666 HA GLU2709 HA GLU2709 9.679 -1.533 7.384 667 HB2 GLU2709 HB2 GLU2709 10.640 -0.242 9.599 668 HB3 GLU2709 HB1 GLU2709 10.317 1.081 8.482 669 HG2 GLU2709 HG2 GLU2709 8.026 0.113 8.151 670 HG3 GLU2709 HG1 GLU2709 8.374 -0.976 9.491 671 H VAL2710 HN VAL2710 8.586 0.111 6.209 672 HA VAL2710 HA VAL2710 10.268 1.237 4.103 673 HB VAL2710 HB VAL2710 8.323 1.316 2.750 674 HG11 VAL2710 HG11 VAL2710 9.259 -0.943 3.196 675 HG12 VAL2710 HG12 VAL2710 7.556 -0.962 2.746 676 HG13 VAL2710 HG13 VAL2710 8.023 -1.167 4.432 677 HG21 VAL2710 HG21 VAL2710 6.692 0.790 5.235 678 HG22 VAL2710 HG22 VAL2710 6.054 0.873 3.594 679 HG23 VAL2710 HG23 VAL2710 6.766 2.305 4.337 680 H ILE2711 HN ILE2711 9.863 3.430 3.349 681 HA ILE2711 HA ILE2711 9.045 5.217 5.546 682 HB ILE2711 HB ILE2711 10.809 5.852 3.169 683 HG12 ILE2711 HG12 ILE2711 11.595 5.496 6.069 684 HG13 ILE2711 HG11 ILE2711 11.805 4.259 4.834 685 HG21 ILE2711 HG21 ILE2711 9.598 7.800 3.979 686 HG22 ILE2711 HG22 ILE2711 11.310 7.926 4.383 687 HG23 ILE2711 HG23 ILE2711 10.142 7.475 5.625 688 HD11 ILE2711 HD11 ILE2711 13.083 6.985 4.824 689 HD12 ILE2711 HD12 ILE2711 13.312 5.726 3.609 690 HD13 ILE2711 HD13 ILE2711 13.871 5.470 5.263 691 H ILE2712 HN ILE2712 7.153 6.210 5.314 692 HA ILE2712 HA ILE2712 6.203 6.785 2.586 693 HB ILE2712 HB ILE2712 3.928 6.310 3.252 694 HG12 ILE2712 HG12 ILE2712 4.798 5.120 5.854 695 HG13 ILE2712 HG11 ILE2712 4.553 6.861 5.768 696 HG21 ILE2712 HG21 ILE2712 5.987 4.191 3.676 697 HG22 ILE2712 HG22 ILE2712 4.874 4.420 2.328 698 HG23 ILE2712 HG23 ILE2712 4.276 3.812 3.871 699 HD11 ILE2712 HD11 ILE2712 2.262 6.507 5.025 700 HD12 ILE2712 HD12 ILE2712 2.569 5.725 6.576 701 HD13 ILE2712 HD13 ILE2712 2.505 4.762 5.100 702 H VAL2713 HN VAL2713 5.795 8.817 2.198 703 HA VAL2713 HA VAL2713 4.478 10.500 3.932 704 HB VAL2713 HB VAL2713 6.444 12.297 3.652 705 HG11 VAL2713 HG11 VAL2713 6.155 10.347 5.929 706 HG12 VAL2713 HG12 VAL2713 5.316 11.886 5.731 707 HG13 VAL2713 HG13 VAL2713 7.058 11.860 6.006 708 HG21 VAL2713 HG21 VAL2713 7.888 9.681 4.062 709 HG22 VAL2713 HG22 VAL2713 8.603 11.286 4.216 710 HG23 VAL2713 HG23 VAL2713 8.009 10.731 2.650 711 H TRP2714 HN TRP2714 3.134 11.387 2.601 712 HA TRP2714 HA TRP2714 3.906 12.009 -0.133 713 HB2 TRP2714 HB2 TRP2714 1.695 10.900 0.558 714 HB3 TRP2714 HB1 TRP2714 1.206 12.492 1.110 715 HD1 TRP2714 HD1 TRP2714 2.870 11.324 -2.224 716 HE1 TRP2714 HE1 TRP2714 1.539 12.374 -4.161 717 HE3 TRP2714 HE3 TRP2714 -0.692 13.756 0.487 718 HZ2 TRP2714 HZ2 TRP2714 -0.732 14.027 -4.488 719 HZ3 TRP2714 HZ3 TRP2714 -2.407 15.039 -0.706 720 HH2 TRP2714 HH2 TRP2714 -2.424 15.186 -3.130 721 H GLU2715 HN GLU2715 2.657 14.109 -0.912 722 HA GLU2715 HA GLU2715 2.783 16.273 0.960 723 HB2 GLU2715 HB2 GLU2715 5.064 15.802 -0.489 724 HB3 GLU2715 HB1 GLU2715 4.219 16.942 -1.526 725 HG2 GLU2715 HG2 GLU2715 4.806 17.428 1.385 726 HG3 GLU2715 HG1 GLU2715 5.830 17.978 0.061 727 H LYS2716 HN LYS2716 1.179 17.735 0.495 728 HA LYS2716 HA LYS2716 -0.538 17.114 -1.736 729 HB2 LYS2716 HB2 LYS2716 -0.763 18.637 0.750 730 HB3 LYS2716 HB1 LYS2716 -1.575 19.403 -0.608 731 HG2 LYS2716 HG2 LYS2716 -2.014 16.546 0.231 732 HG3 LYS2716 HG1 LYS2716 -3.027 17.897 0.734 733 HD2 LYS2716 HD2 LYS2716 -2.528 17.265 -2.163 734 HD3 LYS2716 HD1 LYS2716 -3.828 16.484 -1.255 735 HE2 LYS2716 HE2 LYS2716 -4.844 18.622 -0.798 736 HE3 LYS2716 HE1 LYS2716 -3.480 19.477 -1.518 737 HZ1 LYS2716 HZ1 LYS2716 -5.333 17.666 -2.969 738 HZ2 LYS2716 HZ2 LYS2716 -4.041 18.516 -3.653 739 HZ3 LYS2716 HZ3 LYS2716 -5.368 19.358 -3.028 740 H LYS2717 HN LYS2717 -1.173 18.478 -3.381 741 HA LYS2717 HA LYS2717 0.658 20.711 -3.939 742 HB2 LYS2717 HB2 LYS2717 -0.237 18.434 -5.608 743 HB3 LYS2717 HB1 LYS2717 -0.146 19.995 -6.412 744 HG2 LYS2717 HG2 LYS2717 2.120 18.736 -4.881 745 HG3 LYS2717 HG1 LYS2717 1.907 18.629 -6.628 746 HD2 LYS2717 HD2 LYS2717 2.611 20.741 -6.971 747 HD3 LYS2717 HD1 LYS2717 1.794 21.354 -5.533 748 HE2 LYS2717 HE2 LYS2717 4.372 19.787 -5.536 749 HE3 LYS2717 HE1 LYS2717 4.252 21.540 -5.394 750 HZ1 LYS2717 HZ1 LYS2717 2.974 21.236 -3.351 751 HZ2 LYS2717 HZ2 LYS2717 4.501 20.518 -3.229 752 HZ3 LYS2717 HZ3 LYS2717 3.133 19.557 -3.485 Start of MODEL 10 1 H1 GLU 20 HT1 GLU 20 16.513 1.743 -3.867 2 H2 GLU 20 HT2 GLU 20 16.156 0.116 -4.157 3 H3 GLU 20 HT3 GLU 20 17.752 0.590 -3.859 4 HA GLU 20 HA GLU 20 16.811 -0.472 -1.927 5 HB2 GLU 20 HB2 GLU 20 17.326 2.496 -1.711 6 HB3 GLU 20 HB1 GLU 20 17.155 1.448 -0.310 7 HG2 GLU 20 HG2 GLU 20 19.212 1.070 -2.473 8 HG3 GLU 20 HG1 GLU 20 19.503 1.906 -0.948 9 H TYR 21 HN TYR 21 15.182 2.676 -2.387 10 HA TYR 21 HA TYR 21 12.776 1.473 -1.188 11 HB2 TYR 21 HB2 TYR 21 13.865 4.275 -1.046 12 HB3 TYR 21 HB1 TYR 21 12.171 3.934 -0.717 13 HD1 TYR 21 HD2 TYR 21 15.620 3.452 0.461 14 HD2 TYR 21 HD1 TYR 21 11.498 2.820 1.309 15 HE1 TYR 21 HE2 TYR 21 16.188 2.897 2.788 16 HE2 TYR 21 HE1 TYR 21 12.057 2.266 3.638 17 HH TYR 21 HH TYR 21 13.903 1.528 4.963 18 H ILE 22 HN ILE 22 11.037 1.308 -2.406 19 HA ILE 22 HA ILE 22 10.992 2.640 -5.015 20 HB ILE 22 HB ILE 22 9.157 1.072 -5.566 21 HG12 ILE 22 HG12 ILE 22 9.763 -0.169 -2.872 22 HG13 ILE 22 HG11 ILE 22 8.325 0.776 -3.240 23 HG21 ILE 22 HG21 ILE 22 10.538 -0.971 -5.645 24 HG22 ILE 22 HG22 ILE 22 11.683 -0.214 -4.537 25 HG23 ILE 22 HG23 ILE 22 11.426 0.469 -6.143 26 HD11 ILE 22 HD11 ILE 22 7.679 -0.894 -4.913 27 HD12 ILE 22 HD12 ILE 22 7.829 -1.584 -3.297 28 HD13 ILE 22 HD13 ILE 22 9.101 -1.847 -4.491 29 H LYS 23 HN LYS 23 8.864 3.481 -5.774 30 HA LYS 23 HA LYS 23 7.391 4.682 -3.525 31 HB2 LYS 23 HB2 LYS 23 8.751 6.270 -4.926 32 HB3 LYS 23 HB1 LYS 23 7.698 5.880 -6.279 33 HG2 LYS 23 HG2 LYS 23 5.780 6.750 -5.078 34 HG3 LYS 23 HG1 LYS 23 6.787 7.073 -3.667 35 HD2 LYS 23 HD2 LYS 23 7.307 8.300 -6.368 36 HD3 LYS 23 HD1 LYS 23 6.279 9.058 -5.151 37 HE2 LYS 23 HE2 LYS 23 8.202 8.968 -3.568 38 HE3 LYS 23 HE1 LYS 23 9.206 8.379 -4.892 39 HZ1 LYS 23 HZ1 LYS 23 8.707 10.429 -6.104 40 HZ2 LYS 23 HZ2 LYS 23 9.467 10.748 -4.628 41 HZ3 LYS 23 HZ3 LYS 23 7.802 10.994 -4.790 42 H LEU 24 HN LEU 24 5.783 3.172 -3.372 43 HA LEU 24 HA LEU 24 4.211 2.491 -5.717 44 HB2 LEU 24 HB2 LEU 24 3.999 1.682 -2.816 45 HB3 LEU 24 HB1 LEU 24 2.876 1.150 -4.053 46 HG LEU 24 HG LEU 24 5.840 0.566 -4.039 47 HD11 LEU 24 HD11 LEU 24 4.725 -0.615 -2.247 48 HD12 LEU 24 HD12 LEU 24 5.142 -1.740 -3.540 49 HD13 LEU 24 HD13 LEU 24 3.479 -1.181 -3.360 50 HD21 LEU 24 HD21 LEU 24 5.030 0.634 -6.291 51 HD22 LEU 24 HD22 LEU 24 3.608 -0.318 -5.862 52 HD23 LEU 24 HD23 LEU 24 5.209 -1.057 -5.824 53 H LYS 25 HN LYS 25 2.553 3.688 -6.364 54 HA LYS 25 HA LYS 25 1.584 5.827 -4.689 55 HB2 LYS 25 HB2 LYS 25 0.734 5.007 -7.470 56 HB3 LYS 25 HB1 LYS 25 0.274 6.494 -6.650 57 HG2 LYS 25 HG2 LYS 25 2.810 6.926 -6.489 58 HG3 LYS 25 HG1 LYS 25 2.939 5.695 -7.745 59 HD2 LYS 25 HD2 LYS 25 1.589 6.971 -9.239 60 HD3 LYS 25 HD1 LYS 25 1.162 8.117 -7.966 61 HE2 LYS 25 HE2 LYS 25 3.550 8.763 -7.812 62 HE3 LYS 25 HE1 LYS 25 3.894 7.695 -9.172 63 HZ1 LYS 25 HZ1 LYS 25 2.424 9.018 -10.548 64 HZ2 LYS 25 HZ2 LYS 25 3.630 9.995 -9.875 65 HZ3 LYS 25 HZ3 LYS 25 2.062 10.032 -9.242 66 H VAL 26 HN VAL 26 0.366 5.070 -3.050 67 HA VAL 26 HA VAL 26 -1.724 3.120 -3.532 68 HB VAL 26 HB VAL 26 -1.122 4.621 -0.978 69 HG11 VAL 26 HG11 VAL 26 -3.343 3.663 -1.004 70 HG12 VAL 26 HG12 VAL 26 -2.311 2.737 0.086 71 HG13 VAL 26 HG13 VAL 26 -2.697 2.104 -1.514 72 HG21 VAL 26 HG21 VAL 26 0.841 3.377 -1.685 73 HG22 VAL 26 HG22 VAL 26 -0.134 1.923 -1.900 74 HG23 VAL 26 HG23 VAL 26 0.097 2.600 -0.288 75 H ILE 27 HN ILE 27 -3.399 3.904 -4.621 76 HA ILE 27 HA ILE 27 -4.440 6.561 -3.986 77 HB ILE 27 HB ILE 27 -4.993 4.666 -6.262 78 HG12 ILE 27 HG12 ILE 27 -3.739 7.417 -6.105 79 HG13 ILE 27 HG11 ILE 27 -2.883 5.906 -6.388 80 HG21 ILE 27 HG21 ILE 27 -6.232 7.358 -5.712 81 HG22 ILE 27 HG22 ILE 27 -7.055 5.802 -5.597 82 HG23 ILE 27 HG23 ILE 27 -6.474 6.379 -7.159 83 HD11 ILE 27 HD11 ILE 27 -3.148 7.111 -8.453 84 HD12 ILE 27 HD12 ILE 27 -4.893 7.195 -8.217 85 HD13 ILE 27 HD13 ILE 27 -4.116 5.638 -8.500 86 H GLY 28 HN GLY 28 -6.053 6.751 -2.613 87 HA2 GLY 28 HA2 GLY 28 -7.569 4.463 -1.744 88 HA3 GLY 28 HA1 GLY 28 -7.737 6.111 -1.160 89 H GLN 29 HN GLN 29 -10.066 5.545 -1.221 90 HA GLN 29 HA GLN 29 -11.132 5.821 -3.952 91 HB2 GLN 29 HB2 GLN 29 -11.598 3.726 -2.355 92 HB3 GLN 29 HB1 GLN 29 -12.886 4.787 -1.791 93 HG2 GLN 29 HG2 GLN 29 -13.521 3.214 -3.624 94 HG3 GLN 29 HG1 GLN 29 -13.843 4.919 -3.950 95 HE21 GLN 29 HE21 GLN 29 -13.141 5.713 -5.804 96 HE22 GLN 29 HE22 GLN 29 -11.941 5.001 -6.823 97 H ASP 30 HN ASP 30 -10.372 8.083 -2.664 98 HA ASP 30 HA ASP 30 -12.774 9.607 -2.665 99 HB2 ASP 30 HB2 ASP 30 -12.411 10.512 -0.304 100 HB3 ASP 30 HB1 ASP 30 -13.096 8.895 -0.422 101 H SER 31 HN SER 31 -10.149 9.410 -3.900 102 HA SER 31 HA SER 31 -8.678 10.798 -4.892 103 HB2 SER 31 HB2 SER 31 -10.477 12.464 -4.933 104 HB3 SER 31 HB1 SER 31 -10.019 13.001 -3.317 105 HG SER 31 HG SER 31 -7.823 13.221 -4.489 106 H SER 32 HN SER 32 -8.447 9.738 -1.980 107 HA SER 32 HA SER 32 -6.368 11.439 -0.884 108 HB2 SER 32 HB2 SER 32 -7.851 10.358 0.698 109 HB3 SER 32 HB1 SER 32 -7.532 8.778 -0.016 110 HG SER 32 HG SER 32 -5.206 9.853 0.673 111 H GLU 33 HN GLU 33 -4.515 11.337 -2.227 112 HA GLU 33 HA GLU 33 -3.538 8.586 -2.727 113 HB2 GLU 33 HB2 GLU 33 -4.081 9.748 -4.806 114 HB3 GLU 33 HB1 GLU 33 -3.014 11.073 -4.363 115 HG2 GLU 33 HG2 GLU 33 -1.089 9.619 -4.499 116 HG3 GLU 33 HG1 GLU 33 -2.129 8.233 -4.824 117 H ILE 34 HN ILE 34 -1.683 7.988 -1.818 118 HA ILE 34 HA ILE 34 0.118 10.103 -0.832 119 HB ILE 34 HB ILE 34 -0.107 7.496 0.624 120 HG12 ILE 34 HG12 ILE 34 -1.870 9.911 1.113 121 HG13 ILE 34 HG11 ILE 34 -2.416 8.361 0.482 122 HG21 ILE 34 HG21 ILE 34 1.741 9.040 1.096 123 HG22 ILE 34 HG22 ILE 34 0.683 8.829 2.491 124 HG23 ILE 34 HG23 ILE 34 0.573 10.294 1.516 125 HD11 ILE 34 HD11 ILE 34 -1.231 8.828 3.210 126 HD12 ILE 34 HD12 ILE 34 -1.812 7.287 2.580 127 HD13 ILE 34 HD13 ILE 34 -2.942 8.613 2.844 128 H HIS 35 HN HIS 35 2.313 9.724 -0.949 129 HA HIS 35 HA HIS 35 3.107 7.388 -2.554 130 HB2 HIS 35 HB2 HIS 35 4.521 10.053 -2.260 131 HB3 HIS 35 HB1 HIS 35 5.025 8.724 -3.298 132 HD1 HIS 35 HD1 HIS 35 3.685 11.854 -3.787 133 HD2 HIS 35 HD2 HIS 35 2.400 8.078 -4.939 134 HE1 HIS 35 HE1 HIS 35 2.143 12.201 -5.762 135 H PHE 36 HN PHE 36 3.809 5.846 -1.183 136 HA PHE 36 HA PHE 36 5.437 6.637 1.127 137 HB2 PHE 36 HB2 PHE 36 4.186 3.962 0.478 138 HB3 PHE 36 HB1 PHE 36 5.072 4.347 1.946 139 HD1 PHE 36 HD1 PHE 36 4.089 6.600 3.123 140 HD2 PHE 36 HD2 PHE 36 1.934 3.872 0.672 141 HE1 PHE 36 HE1 PHE 36 1.990 7.290 4.206 142 HE2 PHE 36 HE2 PHE 36 -0.167 4.558 1.743 143 HZ PHE 36 HZ PHE 36 -0.142 6.269 3.515 144 H LYS 37 HN LYS 37 7.433 5.733 1.560 145 HA LYS 37 HA LYS 37 8.820 4.594 -0.761 146 HB2 LYS 37 HB2 LYS 37 9.961 5.718 1.814 147 HB3 LYS 37 HB1 LYS 37 10.889 5.200 0.414 148 HG2 LYS 37 HG2 LYS 37 9.955 6.979 -0.920 149 HG3 LYS 37 HG1 LYS 37 8.901 7.461 0.410 150 HD2 LYS 37 HD2 LYS 37 10.897 7.972 1.768 151 HD3 LYS 37 HD1 LYS 37 11.919 7.556 0.390 152 HE2 LYS 37 HE2 LYS 37 10.938 9.348 -0.915 153 HE3 LYS 37 HE1 LYS 37 9.825 9.728 0.398 154 HZ1 LYS 37 HZ1 LYS 37 12.784 9.964 0.514 155 HZ2 LYS 37 HZ2 LYS 37 11.721 10.322 1.779 156 HZ3 LYS 37 HZ3 LYS 37 11.693 11.249 0.366 157 H VAL 38 HN VAL 38 8.717 2.441 -0.780 158 HA VAL 38 HA VAL 38 8.853 0.994 1.783 159 HB VAL 38 HB VAL 38 7.713 0.039 -0.849 160 HG11 VAL 38 HG11 VAL 38 8.541 -1.798 0.508 161 HG12 VAL 38 HG12 VAL 38 6.778 -1.806 0.469 162 HG13 VAL 38 HG13 VAL 38 7.625 -1.209 1.895 163 HG21 VAL 38 HG21 VAL 38 6.355 1.823 0.080 164 HG22 VAL 38 HG22 VAL 38 6.295 0.992 1.635 165 HG23 VAL 38 HG23 VAL 38 5.521 0.275 0.222 166 H LYS 39 HN LYS 39 10.416 -0.502 2.136 167 HA LYS 39 HA LYS 39 12.669 -0.617 0.421 168 HB2 LYS 39 HB2 LYS 39 11.829 -1.858 2.955 169 HB3 LYS 39 HB1 LYS 39 12.933 -2.831 1.996 170 HG2 LYS 39 HG2 LYS 39 13.530 0.041 2.591 171 HG3 LYS 39 HG1 LYS 39 13.907 -1.236 3.750 172 HD2 LYS 39 HD2 LYS 39 15.148 -2.393 1.870 173 HD3 LYS 39 HD1 LYS 39 14.964 -0.897 0.951 174 HE2 LYS 39 HE2 LYS 39 16.227 0.331 2.560 175 HE3 LYS 39 HE1 LYS 39 16.228 -1.029 3.682 176 HZ1 LYS 39 HZ1 LYS 39 17.555 -2.280 2.075 177 HZ2 LYS 39 HZ2 LYS 39 18.340 -0.862 2.558 178 HZ3 LYS 39 HZ3 LYS 39 17.591 -0.938 1.044 179 H MET 40 HN MET 40 13.438 -2.332 -0.867 180 HA MET 40 HA MET 40 11.419 -3.679 -2.357 181 HB2 MET 40 HB2 MET 40 14.427 -3.900 -2.436 182 HB3 MET 40 HB1 MET 40 13.346 -4.660 -3.597 183 HG2 MET 40 HG2 MET 40 12.483 -2.414 -4.188 184 HG3 MET 40 HG1 MET 40 13.689 -1.710 -3.112 185 HE1 MET 40 HE1 MET 40 17.041 -2.688 -4.864 186 HE2 MET 40 HE2 MET 40 16.219 -3.717 -3.692 187 HE3 MET 40 HE3 MET 40 16.277 -1.972 -3.446 188 H THR 41 HN THR 41 13.094 -4.523 0.479 189 HA THR 41 HA THR 41 12.539 -7.382 0.046 190 HB THR 41 HB THR 41 14.112 -6.689 2.426 191 HG1 THR 41 HG1 THR 41 15.267 -6.291 -0.151 192 HG21 THR 41 HG21 THR 41 13.810 -8.982 1.633 193 HG22 THR 41 HG22 THR 41 15.512 -8.523 1.601 194 HG23 THR 41 HG23 THR 41 14.581 -8.562 0.104 195 H THR 42 HN THR 42 10.824 -4.996 1.068 196 HA THR 42 HA THR 42 9.950 -6.230 3.595 197 HB THR 42 HB THR 42 9.407 -3.434 2.563 198 HG1 THR 42 HG1 THR 42 11.465 -4.507 3.971 199 HG21 THR 42 HG21 THR 42 7.576 -4.257 3.954 200 HG22 THR 42 HG22 THR 42 8.490 -3.007 4.799 201 HG23 THR 42 HG23 THR 42 8.723 -4.705 5.216 202 H HIS 43 HN HIS 43 7.834 -6.851 3.872 203 HA HIS 43 HA HIS 43 6.355 -7.514 1.533 204 HB2 HIS 43 HB2 HIS 43 5.550 -7.653 4.446 205 HB3 HIS 43 HB1 HIS 43 4.662 -8.383 3.114 206 HD1 HIS 43 HD1 HIS 43 6.922 -9.338 5.658 207 HD2 HIS 43 HD2 HIS 43 6.593 -10.210 1.610 208 HE1 HIS 43 HE1 HIS 43 8.212 -11.481 5.287 209 H LEU 44 HN LEU 44 3.995 -6.997 1.323 210 HA LEU 44 HA LEU 44 3.671 -4.147 1.258 211 HB2 LEU 44 HB2 LEU 44 1.819 -6.405 0.525 212 HB3 LEU 44 HB1 LEU 44 1.413 -4.712 0.318 213 HG LEU 44 HG LEU 44 3.621 -6.224 -1.074 214 HD11 LEU 44 HD11 LEU 44 2.345 -6.071 -3.007 215 HD12 LEU 44 HD12 LEU 44 1.316 -4.801 -2.345 216 HD13 LEU 44 HD13 LEU 44 1.156 -6.457 -1.763 217 HD21 LEU 44 HD21 LEU 44 4.453 -4.028 -0.659 218 HD22 LEU 44 HD22 LEU 44 2.917 -3.295 -1.122 219 HD23 LEU 44 HD23 LEU 44 3.920 -4.084 -2.339 220 H LYS 45 HN LYS 45 3.331 -6.281 3.712 221 HA LYS 45 HA LYS 45 0.859 -5.454 4.846 222 HB2 LYS 45 HB2 LYS 45 2.056 -7.583 5.410 223 HB3 LYS 45 HB1 LYS 45 3.247 -6.624 6.281 224 HG2 LYS 45 HG2 LYS 45 1.522 -5.821 7.792 225 HG3 LYS 45 HG1 LYS 45 0.304 -6.738 6.903 226 HD2 LYS 45 HD2 LYS 45 1.486 -8.817 7.468 227 HD3 LYS 45 HD1 LYS 45 2.662 -7.882 8.396 228 HE2 LYS 45 HE2 LYS 45 0.929 -7.127 9.901 229 HE3 LYS 45 HE1 LYS 45 -0.304 -7.934 8.933 230 HZ1 LYS 45 HZ1 LYS 45 0.289 -9.222 10.890 231 HZ2 LYS 45 HZ2 LYS 45 1.902 -9.292 10.383 232 HZ3 LYS 45 HZ3 LYS 45 0.696 -10.055 9.474 233 H LYS 46 HN LYS 46 4.196 -4.351 5.093 234 HA LYS 46 HA LYS 46 3.745 -2.539 7.240 235 HB2 LYS 46 HB2 LYS 46 5.954 -2.988 5.282 236 HB3 LYS 46 HB1 LYS 46 5.924 -1.476 6.180 237 HG2 LYS 46 HG2 LYS 46 5.845 -4.197 7.464 238 HG3 LYS 46 HG1 LYS 46 7.321 -3.262 7.207 239 HD2 LYS 46 HD2 LYS 46 6.619 -1.561 8.685 240 HD3 LYS 46 HD1 LYS 46 4.959 -2.154 8.705 241 HE2 LYS 46 HE2 LYS 46 5.858 -4.264 9.762 242 HE3 LYS 46 HE1 LYS 46 7.388 -3.408 9.959 243 HZ1 LYS 46 HZ1 LYS 46 6.083 -3.244 11.959 244 HZ2 LYS 46 HZ2 LYS 46 4.768 -2.607 11.105 245 HZ3 LYS 46 HZ3 LYS 46 6.198 -1.714 11.244 246 H LEU 47 HN LEU 47 3.477 -2.357 3.773 247 HA LEU 47 HA LEU 47 3.178 0.467 3.585 248 HB2 LEU 47 HB2 LEU 47 3.762 -0.670 1.596 249 HB3 LEU 47 HB1 LEU 47 2.485 -1.852 1.796 250 HG LEU 47 HG LEU 47 1.385 0.813 1.526 251 HD11 LEU 47 HD11 LEU 47 2.005 1.147 -0.827 252 HD12 LEU 47 HD12 LEU 47 3.157 -0.182 -0.699 253 HD13 LEU 47 HD13 LEU 47 3.393 1.283 0.253 254 HD21 LEU 47 HD21 LEU 47 0.086 -0.283 -0.226 255 HD22 LEU 47 HD22 LEU 47 0.142 -1.278 1.229 256 HD23 LEU 47 HD23 LEU 47 1.155 -1.683 -0.156 257 H LYS 48 HN LYS 48 1.050 -2.257 4.069 258 HA LYS 48 HA LYS 48 -1.424 -0.889 3.881 259 HB2 LYS 48 HB2 LYS 48 -0.997 -3.392 3.720 260 HB3 LYS 48 HB1 LYS 48 -0.846 -3.393 5.470 261 HG2 LYS 48 HG2 LYS 48 -3.139 -2.598 5.677 262 HG3 LYS 48 HG1 LYS 48 -3.291 -2.567 3.918 263 HD2 LYS 48 HD2 LYS 48 -2.900 -4.977 3.834 264 HD3 LYS 48 HD1 LYS 48 -2.717 -5.016 5.588 265 HE2 LYS 48 HE2 LYS 48 -5.039 -4.158 5.792 266 HE3 LYS 48 HE1 LYS 48 -5.200 -4.291 4.041 267 HZ1 LYS 48 HZ1 LYS 48 -4.619 -6.541 5.889 268 HZ2 LYS 48 HZ2 LYS 48 -4.805 -6.662 4.213 269 HZ3 LYS 48 HZ3 LYS 48 -6.120 -6.217 5.179 270 H GLU 49 HN GLU 49 0.795 -1.617 6.519 271 HA GLU 49 HA GLU 49 -0.851 -0.724 8.647 272 HB2 GLU 49 HB2 GLU 49 2.145 -1.029 8.404 273 HB3 GLU 49 HB1 GLU 49 1.343 -0.571 9.900 274 HG2 GLU 49 HG2 GLU 49 0.239 -2.672 10.040 275 HG3 GLU 49 HG1 GLU 49 0.748 -3.115 8.412 276 H SER 50 HN SER 50 1.588 0.832 6.644 277 HA SER 50 HA SER 50 1.717 3.277 8.041 278 HB2 SER 50 HB2 SER 50 3.487 2.661 6.527 279 HB3 SER 50 HB1 SER 50 2.362 2.574 5.172 280 HG SER 50 HG SER 50 2.258 4.729 5.094 281 H TYR 51 HN TYR 51 -0.267 2.206 5.313 282 HA TYR 51 HA TYR 51 -1.443 4.747 4.816 283 HB2 TYR 51 HB2 TYR 51 -1.305 2.863 3.167 284 HB3 TYR 51 HB1 TYR 51 -2.548 2.029 4.092 285 HD1 TYR 51 HD1 TYR 51 -1.911 5.222 2.279 286 HD2 TYR 51 HD2 TYR 51 -4.799 2.389 3.585 287 HE1 TYR 51 HE1 TYR 51 -3.638 6.401 0.990 288 HE2 TYR 51 HE2 TYR 51 -6.537 3.563 2.299 289 HH TYR 51 HH TYR 51 -5.793 5.992 0.003 290 H CYS 52 HN CYS 52 -2.451 1.927 6.703 291 HA CYS 52 HA CYS 52 -5.041 2.905 7.318 292 HB2 CYS 52 HB2 CYS 52 -3.328 0.738 8.509 293 HB3 CYS 52 HB1 CYS 52 -4.930 1.116 9.135 294 HG CYS 52 HG CYS 52 -6.352 0.096 7.167 295 H GLN 53 HN GLN 53 -1.935 3.151 9.017 296 HA GLN 53 HA GLN 53 -3.141 4.257 11.378 297 HB2 GLN 53 HB2 GLN 53 -0.985 4.364 12.299 298 HB3 GLN 53 HB1 GLN 53 -0.966 2.933 11.281 299 HG2 GLN 53 HG2 GLN 53 0.973 3.779 10.552 300 HG3 GLN 53 HG1 GLN 53 -0.059 4.786 9.539 301 HE21 GLN 53 HE21 GLN 53 1.323 6.505 9.440 302 HE22 GLN 53 HE22 GLN 53 1.697 7.504 10.800 303 H ARG 54 HN ARG 54 -1.791 5.564 8.441 304 HA ARG 54 HA ARG 54 -1.642 8.258 9.497 305 HB2 ARG 54 HB2 ARG 54 0.004 7.411 7.845 306 HB3 ARG 54 HB1 ARG 54 -1.285 7.251 6.664 307 HG2 ARG 54 HG2 ARG 54 0.055 9.255 6.290 308 HG3 ARG 54 HG1 ARG 54 -1.621 9.654 6.666 309 HD2 ARG 54 HD2 ARG 54 -0.104 11.150 7.834 310 HD3 ARG 54 HD1 ARG 54 -0.981 10.140 8.981 311 HE ARG 54 HE ARG 54 1.506 8.961 8.320 312 HH11 ARG 54 HH11 ARG 54 0.118 11.572 10.171 313 HH12 ARG 54 HH12 ARG 54 1.402 11.601 11.334 314 HH21 ARG 54 HH21 ARG 54 3.200 8.996 9.847 315 HH22 ARG 54 HH22 ARG 54 3.152 10.137 11.150 316 H GLN 55 HN GLN 55 -4.056 6.283 8.273 317 HA GLN 55 HA GLN 55 -5.641 8.600 7.374 318 HB2 GLN 55 HB2 GLN 55 -5.101 6.330 5.976 319 HB3 GLN 55 HB1 GLN 55 -6.632 5.905 6.726 320 HG2 GLN 55 HG2 GLN 55 -7.083 6.823 4.579 321 HG3 GLN 55 HG1 GLN 55 -7.602 7.992 5.793 322 HE21 GLN 55 HE21 GLN 55 -6.543 9.940 5.968 323 HE22 GLN 55 HE22 GLN 55 -5.397 10.495 4.801 324 H GLY 56 HN GLY 56 -5.303 6.466 9.952 325 HA2 GLY 56 HA2 GLY 56 -6.632 6.028 11.774 326 HA3 GLY 56 HA1 GLY 56 -7.636 7.366 11.250 327 H VAL 57 HN VAL 57 -6.938 4.063 10.082 328 HA VAL 57 HA VAL 57 -9.775 3.397 10.260 329 HB VAL 57 HB VAL 57 -8.212 3.292 7.668 330 HG11 VAL 57 HG11 VAL 57 -10.315 2.375 6.726 331 HG12 VAL 57 HG12 VAL 57 -10.940 2.224 8.368 332 HG13 VAL 57 HG13 VAL 57 -9.524 1.296 7.872 333 HG21 VAL 57 HG21 VAL 57 -9.966 4.781 6.838 334 HG22 VAL 57 HG22 VAL 57 -9.115 5.498 8.207 335 HG23 VAL 57 HG23 VAL 57 -10.716 4.792 8.434 336 HA PRO 58 HA PRO 58 -7.798 -0.297 11.801 337 HB2 PRO 58 HB2 PRO 58 -9.898 -1.996 11.511 338 HB3 PRO 58 HB1 PRO 58 -9.756 -0.822 12.828 339 HG2 PRO 58 HG2 PRO 58 -11.140 -0.489 10.210 340 HG3 PRO 58 HG1 PRO 58 -11.848 -0.253 11.806 341 HD2 PRO 58 HD2 PRO 58 -10.975 1.867 10.529 342 HD3 PRO 58 HD1 PRO 58 -10.449 1.643 12.213 343 H MET 59 HN MET 59 -6.614 -1.855 10.996 344 HA MET 59 HA MET 59 -5.784 -2.088 8.463 345 HB2 MET 59 HB2 MET 59 -4.871 -3.220 10.509 346 HB3 MET 59 HB1 MET 59 -6.079 -4.469 10.284 347 HG2 MET 59 HG2 MET 59 -4.087 -5.324 9.387 348 HG3 MET 59 HG1 MET 59 -5.072 -4.859 8.000 349 HE1 MET 59 HE1 MET 59 -3.258 -2.101 10.233 350 HE2 MET 59 HE2 MET 59 -1.609 -2.280 9.642 351 HE3 MET 59 HE3 MET 59 -2.381 -3.607 10.506 352 H ASN 60 HN ASN 60 -8.659 -3.652 9.722 353 HA ASN 60 HA ASN 60 -9.040 -5.313 7.406 354 HB2 ASN 60 HB2 ASN 60 -11.140 -5.971 8.493 355 HB3 ASN 60 HB1 ASN 60 -9.777 -6.082 9.602 356 HD21 ASN 60 HD21 ASN 60 -12.890 -5.038 9.255 357 HD22 ASN 60 HD22 ASN 60 -12.961 -3.913 10.565 358 H SER 61 HN SER 61 -10.894 -2.662 8.839 359 HA SER 61 HA SER 61 -12.976 -2.172 7.444 360 HB2 SER 61 HB2 SER 61 -12.019 -0.570 8.948 361 HB3 SER 61 HB1 SER 61 -10.862 -0.031 7.746 362 HG SER 61 HG SER 61 -13.558 0.506 8.079 363 H LEU 62 HN LEU 62 -9.826 -1.689 5.840 364 HA LEU 62 HA LEU 62 -11.287 -1.034 3.392 365 HB2 LEU 62 HB2 LEU 62 -8.314 -0.992 3.699 366 HB3 LEU 62 HB1 LEU 62 -9.299 -0.150 2.526 367 HG LEU 62 HG LEU 62 -9.063 0.509 5.463 368 HD11 LEU 62 HD11 LEU 62 -8.252 2.104 3.046 369 HD12 LEU 62 HD12 LEU 62 -7.152 1.020 3.898 370 HD13 LEU 62 HD13 LEU 62 -7.849 2.408 4.735 371 HD21 LEU 62 HD21 LEU 62 -10.381 2.554 4.723 372 HD22 LEU 62 HD22 LEU 62 -11.287 1.047 4.853 373 HD23 LEU 62 HD23 LEU 62 -10.789 1.642 3.270 374 H ARG 63 HN ARG 63 -9.326 -1.686 1.559 375 HA ARG 63 HA ARG 63 -8.484 -4.395 1.567 376 HB2 ARG 63 HB2 ARG 63 -10.855 -4.907 1.240 377 HB3 ARG 63 HB1 ARG 63 -10.974 -3.691 -0.025 378 HG2 ARG 63 HG2 ARG 63 -9.274 -5.056 -1.311 379 HG3 ARG 63 HG1 ARG 63 -9.538 -6.326 -0.116 380 HD2 ARG 63 HD2 ARG 63 -11.808 -5.077 -1.639 381 HD3 ARG 63 HD1 ARG 63 -10.887 -6.426 -2.291 382 HE ARG 63 HE ARG 63 -11.765 -7.111 0.277 383 HH11 ARG 63 HH11 ARG 63 -13.061 -6.480 -2.896 384 HH12 ARG 63 HH12 ARG 63 -14.430 -7.521 -2.690 385 HH21 ARG 63 HH21 ARG 63 -13.557 -8.509 0.552 386 HH22 ARG 63 HH22 ARG 63 -14.712 -8.675 -0.728 387 H PHE 64 HN PHE 64 -6.870 -4.491 0.024 388 HA PHE 64 HA PHE 64 -6.700 -2.209 -1.835 389 HB2 PHE 64 HB2 PHE 64 -4.409 -3.851 -0.744 390 HB3 PHE 64 HB1 PHE 64 -4.291 -2.384 -1.707 391 HD1 PHE 64 HD1 PHE 64 -5.814 -3.571 1.492 392 HD2 PHE 64 HD2 PHE 64 -3.890 -0.405 -0.612 393 HE1 PHE 64 HE1 PHE 64 -5.829 -2.211 3.555 394 HE2 PHE 64 HE2 PHE 64 -3.900 0.969 1.442 395 HZ PHE 64 HZ PHE 64 -4.872 0.064 3.531 396 H LEU 65 HN LEU 65 -6.182 -2.546 -3.980 397 HA LEU 65 HA LEU 65 -5.960 -5.352 -4.832 398 HB2 LEU 65 HB2 LEU 65 -7.534 -3.287 -6.327 399 HB3 LEU 65 HB1 LEU 65 -7.465 -5.005 -6.629 400 HG LEU 65 HG LEU 65 -8.817 -3.678 -4.277 401 HD11 LEU 65 HD11 LEU 65 -10.855 -4.246 -5.383 402 HD12 LEU 65 HD12 LEU 65 -9.995 -5.153 -6.627 403 HD13 LEU 65 HD13 LEU 65 -9.843 -3.398 -6.552 404 HD21 LEU 65 HD21 LEU 65 -7.935 -5.865 -3.663 405 HD22 LEU 65 HD22 LEU 65 -8.657 -6.580 -5.106 406 HD23 LEU 65 HD23 LEU 65 -9.689 -5.940 -3.828 407 H PHE 66 HN PHE 66 -5.141 -5.710 -6.966 408 HA PHE 66 HA PHE 66 -3.720 -3.565 -8.314 409 HB2 PHE 66 HB2 PHE 66 -2.067 -4.345 -6.662 410 HB3 PHE 66 HB1 PHE 66 -2.283 -6.002 -7.215 411 HD1 PHE 66 HD1 PHE 66 -1.676 -2.702 -8.857 412 HD2 PHE 66 HD2 PHE 66 -0.508 -6.777 -8.434 413 HE1 PHE 66 HE1 PHE 66 0.077 -2.369 -10.566 414 HE2 PHE 66 HE2 PHE 66 1.251 -6.461 -10.144 415 HZ PHE 66 HZ PHE 66 1.543 -4.251 -11.215 416 H GLU 67 HN GLU 67 -3.406 -4.057 -10.505 417 HA GLU 67 HA GLU 67 -4.063 -4.992 -12.500 418 HB2 GLU 67 HB2 GLU 67 -3.088 -7.402 -10.957 419 HB3 GLU 67 HB1 GLU 67 -3.573 -7.495 -12.640 420 HG2 GLU 67 HG2 GLU 67 -1.808 -5.890 -13.222 421 HG3 GLU 67 HG1 GLU 67 -1.311 -5.846 -11.531 422 H GLY 68 HN GLY 68 -6.066 -4.662 -10.391 423 HA2 GLY 68 HA2 GLY 68 -8.370 -5.038 -10.440 424 HA3 GLY 68 HA1 GLY 68 -8.101 -6.380 -11.545 425 H GLN 69 HN GLN 69 -6.298 -7.925 -10.088 426 HA GLN 69 HA GLN 69 -8.122 -9.109 -8.227 427 HB2 GLN 69 HB2 GLN 69 -5.361 -9.894 -9.118 428 HB3 GLN 69 HB1 GLN 69 -6.274 -10.804 -7.921 429 HG2 GLN 69 HG2 GLN 69 -8.126 -10.918 -9.677 430 HG3 GLN 69 HG1 GLN 69 -6.901 -10.381 -10.823 431 HE21 GLN 69 HE21 GLN 69 -8.434 -13.008 -9.722 432 HE22 GLN 69 HE22 GLN 69 -7.234 -14.218 -10.006 433 H ARG 70 HN ARG 70 -7.846 -9.599 -6.094 434 HA ARG 70 HA ARG 70 -7.097 -7.566 -4.411 435 HB2 ARG 70 HB2 ARG 70 -8.630 -9.474 -3.927 436 HB3 ARG 70 HB1 ARG 70 -7.214 -10.480 -3.674 437 HG2 ARG 70 HG2 ARG 70 -6.622 -9.373 -1.731 438 HG3 ARG 70 HG1 ARG 70 -7.607 -7.959 -2.126 439 HD2 ARG 70 HD2 ARG 70 -9.613 -9.487 -1.983 440 HD3 ARG 70 HD1 ARG 70 -8.533 -10.685 -1.270 441 HE ARG 70 HE ARG 70 -8.136 -8.440 0.222 442 HH11 ARG 70 HH11 ARG 70 -10.920 -10.343 -0.637 443 HH12 ARG 70 HH12 ARG 70 -11.778 -9.986 0.824 444 HH21 ARG 70 HH21 ARG 70 -9.255 -7.951 2.148 445 HH22 ARG 70 HH22 ARG 70 -10.831 -8.620 2.410 446 H ILE 71 HN ILE 71 -5.572 -7.738 -2.533 447 HA ILE 71 HA ILE 71 -2.946 -8.670 -3.478 448 HB ILE 71 HB ILE 71 -3.654 -6.205 -1.897 449 HG12 ILE 71 HG12 ILE 71 -2.117 -6.675 -4.464 450 HG13 ILE 71 HG11 ILE 71 -3.755 -6.042 -4.344 451 HG21 ILE 71 HG21 ILE 71 -1.768 -7.284 -0.794 452 HG22 ILE 71 HG22 ILE 71 -1.246 -5.820 -1.628 453 HG23 ILE 71 HG23 ILE 71 -0.919 -7.403 -2.335 454 HD11 ILE 71 HD11 ILE 71 -2.357 -4.193 -4.737 455 HD12 ILE 71 HD12 ILE 71 -1.190 -4.717 -3.525 456 HD13 ILE 71 HD13 ILE 71 -2.774 -4.123 -3.026 457 H ALA 72 HN ALA 72 -1.962 -10.104 -2.308 458 HA ALA 72 HA ALA 72 -2.982 -11.232 0.056 459 HB1 ALA 72 HB1 ALA 72 -1.599 -12.503 -1.552 460 HB2 ALA 72 HB2 ALA 72 -0.944 -12.583 0.083 461 HB3 ALA 72 HB3 ALA 72 -0.203 -11.519 -1.112 462 H ASP 73 HN ASP 73 -2.079 -11.214 2.155 463 HA ASP 73 HA ASP 73 -1.203 -8.638 3.002 464 HB2 ASP 73 HB2 ASP 73 -2.689 -10.391 4.215 465 HB3 ASP 73 HB1 ASP 73 -1.157 -11.089 4.731 466 H ASN 74 HN ASN 74 0.390 -11.557 2.118 467 HA ASN 74 HA ASN 74 2.928 -10.680 3.314 468 HB2 ASN 74 HB2 ASN 74 2.013 -13.341 2.219 469 HB3 ASN 74 HB1 ASN 74 3.688 -13.008 2.650 470 HD21 ASN 74 HD21 ASN 74 2.275 -11.176 4.777 471 HD22 ASN 74 HD22 ASN 74 1.995 -12.283 6.071 472 H HIS 75 HN HIS 75 1.262 -10.339 0.541 473 HA HIS 75 HA HIS 75 2.927 -10.971 -1.568 474 HB2 HIS 75 HB2 HIS 75 0.577 -9.460 -1.173 475 HB3 HIS 75 HB1 HIS 75 1.702 -8.402 -2.016 476 HD1 HIS 75 HD1 HIS 75 2.990 -10.035 -4.054 477 HD2 HIS 75 HD2 HIS 75 -0.957 -10.715 -3.024 478 HE1 HIS 75 HE1 HIS 75 1.959 -11.225 -6.023 479 H THR 76 HN THR 76 4.058 -9.340 -2.984 480 HA THR 76 HA THR 76 5.246 -6.966 -2.051 481 HB THR 76 HB THR 76 7.005 -9.453 -1.869 482 HG1 THR 76 HG1 THR 76 7.341 -8.526 0.303 483 HG21 THR 76 HG21 THR 76 8.089 -7.465 -2.972 484 HG22 THR 76 HG22 THR 76 8.871 -8.000 -1.486 485 HG23 THR 76 HG23 THR 76 7.831 -6.576 -1.471 486 HA PRO 77 HA PRO 77 5.729 -6.766 -6.457 487 HB2 PRO 77 HB2 PRO 77 8.410 -5.616 -5.696 488 HB3 PRO 77 HB1 PRO 77 7.295 -5.094 -6.973 489 HG2 PRO 77 HG2 PRO 77 7.240 -3.751 -4.745 490 HG3 PRO 77 HG1 PRO 77 5.688 -4.335 -5.387 491 HD2 PRO 77 HD2 PRO 77 7.378 -5.522 -3.182 492 HD3 PRO 77 HD1 PRO 77 5.622 -5.248 -3.209 493 H LYS 78 HN LYS 78 7.787 -8.403 -4.333 494 HA LYS 78 HA LYS 78 9.632 -9.662 -6.044 495 HB2 LYS 78 HB2 LYS 78 9.817 -9.703 -3.584 496 HB3 LYS 78 HB1 LYS 78 8.320 -10.609 -3.473 497 HG2 LYS 78 HG2 LYS 78 9.420 -12.491 -4.647 498 HG3 LYS 78 HG1 LYS 78 10.931 -11.576 -4.620 499 HD2 LYS 78 HD2 LYS 78 10.913 -11.546 -2.196 500 HD3 LYS 78 HD1 LYS 78 9.339 -12.343 -2.169 501 HE2 LYS 78 HE2 LYS 78 10.359 -14.301 -3.289 502 HE3 LYS 78 HE1 LYS 78 11.929 -13.504 -3.194 503 HZ1 LYS 78 HZ1 LYS 78 10.235 -14.271 -0.874 504 HZ2 LYS 78 HZ2 LYS 78 11.741 -13.508 -0.781 505 HZ3 LYS 78 HZ3 LYS 78 11.628 -15.082 -1.389 506 H GLU 79 HN GLU 79 6.267 -9.946 -5.500 507 HA GLU 79 HA GLU 79 6.099 -12.407 -7.090 508 HB2 GLU 79 HB2 GLU 79 4.026 -11.331 -5.181 509 HB3 GLU 79 HB1 GLU 79 4.018 -12.894 -5.983 510 HG2 GLU 79 HG2 GLU 79 5.986 -11.990 -3.897 511 HG3 GLU 79 HG1 GLU 79 4.627 -13.085 -3.641 512 H LEU 80 HN LEU 80 4.887 -9.140 -6.668 513 HA LEU 80 HA LEU 80 2.974 -9.420 -8.827 514 HB2 LEU 80 HB2 LEU 80 3.654 -7.152 -6.990 515 HB3 LEU 80 HB1 LEU 80 2.512 -6.995 -8.312 516 HG LEU 80 HG LEU 80 2.227 -8.937 -6.016 517 HD11 LEU 80 HD11 LEU 80 1.967 -6.651 -5.243 518 HD12 LEU 80 HD12 LEU 80 0.394 -7.445 -5.313 519 HD13 LEU 80 HD13 LEU 80 0.864 -6.303 -6.573 520 HD21 LEU 80 HD21 LEU 80 0.685 -8.341 -8.499 521 HD22 LEU 80 HD22 LEU 80 -0.168 -8.872 -7.051 522 HD23 LEU 80 HD23 LEU 80 1.077 -9.895 -7.767 523 H GLY 81 HN GLY 81 6.223 -8.537 -8.617 524 HA2 GLY 81 HA2 GLY 81 7.656 -7.478 -10.080 525 HA3 GLY 81 HA1 GLY 81 6.566 -8.084 -11.321 526 H MET 82 HN MET 82 5.528 -5.862 -8.844 527 HA MET 82 HA MET 82 4.445 -4.037 -10.687 528 HB2 MET 82 HB2 MET 82 5.214 -3.548 -7.801 529 HB3 MET 82 HB1 MET 82 4.106 -2.573 -8.753 530 HG2 MET 82 HG2 MET 82 2.643 -4.583 -8.960 531 HG3 MET 82 HG1 MET 82 3.711 -5.399 -7.824 532 HE1 MET 82 HE1 MET 82 2.557 -4.675 -4.579 533 HE2 MET 82 HE2 MET 82 3.958 -3.677 -4.957 534 HE3 MET 82 HE3 MET 82 3.812 -5.291 -5.655 535 H GLU 83 HN GLU 83 5.532 -2.685 -11.990 536 HA GLU 83 HA GLU 83 8.297 -2.036 -11.570 537 HB2 GLU 83 HB2 GLU 83 6.312 -1.726 -13.657 538 HB3 GLU 83 HB1 GLU 83 7.192 -0.226 -13.426 539 HG2 GLU 83 HG2 GLU 83 9.321 -1.386 -13.824 540 HG3 GLU 83 HG1 GLU 83 8.474 -2.919 -13.985 541 H GLU 84 HN GLU 84 8.041 0.795 -12.412 542 HA GLU 84 HA GLU 84 7.339 1.897 -9.779 543 HB2 GLU 84 HB2 GLU 84 8.553 3.392 -12.113 544 HB3 GLU 84 HB1 GLU 84 8.563 3.858 -10.423 545 HG2 GLU 84 HG2 GLU 84 10.717 3.170 -10.679 546 HG3 GLU 84 HG1 GLU 84 9.973 1.662 -10.151 547 H GLU 85 HN GLU 85 6.157 4.071 -9.918 548 HA GLU 85 HA GLU 85 4.381 5.342 -10.543 549 HB2 GLU 85 HB2 GLU 85 5.587 5.492 -12.694 550 HB3 GLU 85 HB1 GLU 85 4.743 4.058 -13.252 551 HG2 GLU 85 HG2 GLU 85 3.710 5.987 -14.203 552 HG3 GLU 85 HG1 GLU 85 2.606 5.281 -13.023 553 H ASP 86 HN ASP 86 4.253 2.063 -10.348 554 HA ASP 86 HA ASP 86 1.864 1.238 -11.418 555 HB2 ASP 86 HB2 ASP 86 3.512 0.414 -9.128 556 HB3 ASP 86 HB1 ASP 86 1.816 -0.042 -9.005 557 H VAL 87 HN VAL 87 -0.099 0.596 -10.013 558 HA VAL 87 HA VAL 87 -0.898 2.804 -8.254 559 HB VAL 87 HB VAL 87 -2.488 1.815 -10.637 560 HG11 VAL 87 HG11 VAL 87 -3.977 2.084 -8.745 561 HG12 VAL 87 HG12 VAL 87 -4.218 3.416 -9.876 562 HG13 VAL 87 HG13 VAL 87 -3.293 3.671 -8.397 563 HG21 VAL 87 HG21 VAL 87 -0.763 3.487 -11.139 564 HG22 VAL 87 HG22 VAL 87 -1.445 4.554 -9.912 565 HG23 VAL 87 HG23 VAL 87 -2.384 4.148 -11.349 566 H ILE 88 HN ILE 88 -2.399 2.263 -6.697 567 HA ILE 88 HA ILE 88 -3.345 -0.527 -6.629 568 HB ILE 88 HB ILE 88 -2.214 1.041 -4.277 569 HG12 ILE 88 HG12 ILE 88 -1.382 -1.548 -5.613 570 HG13 ILE 88 HG11 ILE 88 -0.476 -0.039 -5.600 571 HG21 ILE 88 HG21 ILE 88 -3.548 -1.672 -4.333 572 HG22 ILE 88 HG22 ILE 88 -4.249 -0.199 -3.664 573 HG23 ILE 88 HG23 ILE 88 -2.815 -0.909 -2.922 574 HD11 ILE 88 HD11 ILE 88 -1.064 -1.780 -3.210 575 HD12 ILE 88 HD12 ILE 88 -0.189 -0.250 -3.169 576 HD13 ILE 88 HD13 ILE 88 0.484 -1.627 -4.042 577 H GLU 89 HN GLU 89 -5.445 -0.707 -6.031 578 HA GLU 89 HA GLU 89 -6.908 1.793 -5.509 579 HB2 GLU 89 HB2 GLU 89 -7.411 -0.499 -7.186 580 HB3 GLU 89 HB1 GLU 89 -8.671 -0.355 -5.984 581 HG2 GLU 89 HG2 GLU 89 -9.513 0.843 -7.766 582 HG3 GLU 89 HG1 GLU 89 -8.838 2.092 -6.721 583 H VAL 90 HN VAL 90 -8.211 1.955 -3.700 584 HA VAL 90 HA VAL 90 -8.172 -0.349 -1.837 585 HB VAL 90 HB VAL 90 -8.361 2.565 -0.996 586 HG11 VAL 90 HG11 VAL 90 -7.697 1.584 1.214 587 HG12 VAL 90 HG12 VAL 90 -7.870 -0.016 0.493 588 HG13 VAL 90 HG13 VAL 90 -9.271 1.048 0.625 589 HG21 VAL 90 HG21 VAL 90 -5.914 0.804 -0.991 590 HG22 VAL 90 HG22 VAL 90 -6.025 2.433 -0.322 591 HG23 VAL 90 HG23 VAL 90 -6.190 2.179 -2.060 592 H TYR 91 HN TYR 91 -10.181 -0.972 -1.163 593 HA TYR 91 HA TYR 91 -12.417 0.836 -1.808 594 HB2 TYR 91 HB2 TYR 91 -12.322 -2.173 -2.107 595 HB3 TYR 91 HB1 TYR 91 -13.780 -1.203 -2.268 596 HD1 TYR 91 HD1 TYR 91 -10.397 -1.719 -3.733 597 HD2 TYR 91 HD2 TYR 91 -14.355 -0.248 -4.324 598 HE1 TYR 91 HE1 TYR 91 -9.926 -1.421 -6.139 599 HE2 TYR 91 HE2 TYR 91 -13.886 0.069 -6.731 600 HH TYR 91 HH TYR 91 -11.856 0.418 -8.191 601 H GLN 92 HN GLN 92 -13.911 1.102 -0.249 602 HA GLN 92 HA GLN 92 -13.368 0.431 2.428 603 HB2 GLN 92 HB2 GLN 92 -14.834 2.284 1.929 604 HB3 GLN 92 HB1 GLN 92 -15.889 1.269 0.968 605 HG2 GLN 92 HG2 GLN 92 -16.958 1.851 3.034 606 HG3 GLN 92 HG1 GLN 92 -16.625 0.123 3.004 607 HE21 GLN 92 HE21 GLN 92 -16.775 -0.011 5.238 608 HE22 GLN 92 HE22 GLN 92 -15.532 0.585 6.279 609 H GLU 93 HN GLU 93 -13.883 -1.443 3.569 610 HA GLU 93 HA GLU 93 -14.743 -3.687 1.979 611 HB2 GLU 93 HB2 GLU 93 -12.978 -3.738 3.850 612 HB3 GLU 93 HB1 GLU 93 -14.341 -3.745 4.964 613 HG2 GLU 93 HG2 GLU 93 -13.524 -6.005 4.539 614 HG3 GLU 93 HG1 GLU 93 -15.179 -5.799 3.965 615 H GLN 94 HN GLN 94 -16.579 -4.849 2.160 616 HA GLN 94 HA GLN 94 -18.709 -4.043 3.978 617 HB2 GLN 94 HB2 GLN 94 -20.266 -3.626 2.119 618 HB3 GLN 94 HB1 GLN 94 -18.909 -2.501 2.058 619 HG2 GLN 94 HG2 GLN 94 -17.814 -4.080 0.439 620 HG3 GLN 94 HG1 GLN 94 -19.346 -4.947 0.372 621 HE21 GLN 94 HE21 GLN 94 -20.706 -4.365 -1.131 622 HE22 GLN 94 HE22 GLN 94 -20.707 -2.857 -1.973 623 H THR 95 HN THR 95 -20.691 -5.431 3.452 624 HA THR 95 HA THR 95 -20.118 -8.018 2.205 625 HB THR 95 HB THR 95 -20.950 -9.274 4.139 626 HG1 THR 95 HG1 THR 95 -22.307 -7.746 5.093 627 HG21 THR 95 HG21 THR 95 -19.104 -8.896 5.723 628 HG22 THR 95 HG22 THR 95 -18.750 -7.357 4.937 629 HG23 THR 95 HG23 THR 95 -18.535 -8.868 4.054 630 H GLY 96 HN GLY 96 -22.227 -9.298 2.087 631 HA2 GLY 96 HA2 GLY 96 -24.285 -7.645 1.047 632 HA3 GLY 96 HA1 GLY 96 -24.409 -9.374 1.342 633 H GLY 97 HN GLY 97 -26.650 -8.626 1.909 634 HA2 GLY 97 HA2 GLY 97 -26.871 -8.409 4.808 635 HA3 GLY 97 HA1 GLY 97 -27.587 -7.081 3.892 636 H1 ASP2705 HT1 ASP2705 9.698 -2.991 11.196 637 H2 ASP2705 HT2 ASP2705 10.320 -4.563 11.225 638 H3 ASP2705 HT3 ASP2705 11.304 -3.275 10.743 639 HA ASP2705 HA ASP2705 11.202 -2.317 12.943 640 HB2 ASP2705 HB2 ASP2705 9.795 -4.849 13.798 641 HB3 ASP2705 HB1 ASP2705 10.088 -3.398 14.751 642 H ASN2706 HN ASN2706 11.415 -5.792 12.236 643 HA ASN2706 HA ASN2706 13.824 -6.043 13.837 644 HB2 ASN2706 HB2 ASN2706 12.091 -7.826 13.834 645 HB3 ASN2706 HB1 ASN2706 12.422 -8.111 12.128 646 HD21 ASN2706 HD21 ASN2706 13.152 -10.164 12.306 647 HD22 ASN2706 HD22 ASN2706 14.604 -10.604 13.133 648 H GLU2707 HN GLU2707 12.918 -6.646 10.435 649 HA GLU2707 HA GLU2707 15.708 -6.738 9.662 650 HB2 GLU2707 HB2 GLU2707 13.219 -6.892 7.951 651 HB3 GLU2707 HB1 GLU2707 14.859 -7.219 7.411 652 HG2 GLU2707 HG2 GLU2707 14.366 -9.349 7.832 653 HG3 GLU2707 HG1 GLU2707 14.622 -8.921 9.523 654 H ILE2708 HN ILE2708 12.994 -4.995 8.166 655 HA ILE2708 HA ILE2708 14.531 -2.512 8.256 656 HB ILE2708 HB ILE2708 13.614 -2.231 5.768 657 HG12 ILE2708 HG12 ILE2708 14.084 -5.198 6.108 658 HG13 ILE2708 HG11 ILE2708 12.615 -4.408 5.546 659 HG21 ILE2708 HG21 ILE2708 15.873 -2.860 4.983 660 HG22 ILE2708 HG22 ILE2708 16.184 -3.593 6.557 661 HG23 ILE2708 HG23 ILE2708 15.899 -1.857 6.433 662 HD11 ILE2708 HD11 ILE2708 14.093 -3.554 3.615 663 HD12 ILE2708 HD12 ILE2708 13.551 -5.230 3.608 664 HD13 ILE2708 HD13 ILE2708 15.196 -4.839 4.109 665 H GLU2709 HN GLU2709 13.091 -0.736 7.081 666 HA GLU2709 HA GLU2709 10.264 -1.092 7.653 667 HB2 GLU2709 HB2 GLU2709 10.152 0.927 9.054 668 HB3 GLU2709 HB1 GLU2709 11.087 -0.360 9.801 669 HG2 GLU2709 HG2 GLU2709 12.506 1.721 8.221 670 HG3 GLU2709 HG1 GLU2709 11.920 2.125 9.834 671 H VAL2710 HN VAL2710 8.930 0.661 6.878 672 HA VAL2710 HA VAL2710 10.101 1.912 4.505 673 HB VAL2710 HB VAL2710 7.877 2.175 3.669 674 HG11 VAL2710 HG11 VAL2710 7.060 -0.114 3.634 675 HG12 VAL2710 HG12 VAL2710 8.048 -0.506 5.041 676 HG13 VAL2710 HG13 VAL2710 8.820 -0.085 3.514 677 HG21 VAL2710 HG21 VAL2710 6.792 2.934 5.718 678 HG22 VAL2710 HG22 VAL2710 6.887 1.305 6.385 679 HG23 VAL2710 HG23 VAL2710 5.877 1.622 4.974 680 H ILE2711 HN ILE2711 9.324 4.137 3.952 681 HA ILE2711 HA ILE2711 9.316 5.814 6.372 682 HB ILE2711 HB ILE2711 10.011 6.766 3.597 683 HG12 ILE2711 HG12 ILE2711 11.971 5.810 5.695 684 HG13 ILE2711 HG11 ILE2711 11.465 4.834 4.321 685 HG21 ILE2711 HG21 ILE2711 10.710 7.814 6.338 686 HG22 ILE2711 HG22 ILE2711 9.470 8.471 5.271 687 HG23 ILE2711 HG23 ILE2711 11.168 8.544 4.800 688 HD11 ILE2711 HD11 ILE2711 12.410 6.479 2.797 689 HD12 ILE2711 HD12 ILE2711 13.621 5.889 3.934 690 HD13 ILE2711 HD13 ILE2711 12.894 7.478 4.167 691 H ILE2712 HN ILE2712 7.621 7.057 6.821 692 HA ILE2712 HA ILE2712 5.370 7.083 4.964 693 HB ILE2712 HB ILE2712 5.436 8.143 7.790 694 HG12 ILE2712 HG12 ILE2712 4.669 5.398 6.764 695 HG13 ILE2712 HG11 ILE2712 6.004 5.780 7.847 696 HG21 ILE2712 HG21 ILE2712 3.618 8.989 6.377 697 HG22 ILE2712 HG22 ILE2712 3.013 7.948 7.666 698 HG23 ILE2712 HG23 ILE2712 3.132 7.333 6.018 699 HD11 ILE2712 HD11 ILE2712 4.184 4.817 9.091 700 HD12 ILE2712 HD12 ILE2712 3.066 6.028 8.461 701 HD13 ILE2712 HD13 ILE2712 4.372 6.511 9.544 702 H VAL2713 HN VAL2713 5.540 8.652 3.495 703 HA VAL2713 HA VAL2713 5.906 11.303 4.380 704 HB VAL2713 HB VAL2713 6.801 10.316 1.690 705 HG11 VAL2713 HG11 VAL2713 7.352 12.925 3.101 706 HG12 VAL2713 HG12 VAL2713 6.218 12.692 1.771 707 HG13 VAL2713 HG13 VAL2713 7.946 12.457 1.507 708 HG21 VAL2713 HG21 VAL2713 9.103 10.514 2.516 709 HG22 VAL2713 HG22 VAL2713 8.187 9.298 3.406 710 HG23 VAL2713 HG23 VAL2713 8.485 10.879 4.127 711 H TRP2714 HN TRP2714 4.021 12.379 4.155 712 HA TRP2714 HA TRP2714 2.115 11.405 2.202 713 HB2 TRP2714 HB2 TRP2714 1.689 12.316 4.685 714 HB3 TRP2714 HB1 TRP2714 1.526 13.844 3.828 715 HD1 TRP2714 HD1 TRP2714 -0.672 11.342 5.126 716 HE1 TRP2714 HE1 TRP2714 -2.865 11.138 3.777 717 HE3 TRP2714 HE3 TRP2714 0.741 13.832 0.961 718 HZ2 TRP2714 HZ2 TRP2714 -3.849 11.944 1.213 719 HZ3 TRP2714 HZ3 TRP2714 -0.808 14.074 -0.855 720 HH2 TRP2714 HH2 TRP2714 -3.057 13.156 -0.821 721 H GLU2715 HN GLU2715 2.458 11.988 0.172 722 HA GLU2715 HA GLU2715 2.986 14.834 -0.454 723 HB2 GLU2715 HB2 GLU2715 3.791 12.379 -2.041 724 HB3 GLU2715 HB1 GLU2715 4.064 14.042 -2.539 725 HG2 GLU2715 HG2 GLU2715 5.607 14.388 -0.743 726 HG3 GLU2715 HG1 GLU2715 5.224 12.810 -0.055 727 H LYS2716 HN LYS2716 1.455 15.817 -1.760 728 HA LYS2716 HA LYS2716 -0.849 14.230 -2.468 729 HB2 LYS2716 HB2 LYS2716 -0.349 17.092 -2.172 730 HB3 LYS2716 HB1 LYS2716 -1.383 16.686 -3.536 731 HG2 LYS2716 HG2 LYS2716 -2.060 15.378 -0.979 732 HG3 LYS2716 HG1 LYS2716 -2.301 17.120 -1.054 733 HD2 LYS2716 HD2 LYS2716 -4.357 16.140 -1.721 734 HD3 LYS2716 HD1 LYS2716 -3.595 16.710 -3.205 735 HE2 LYS2716 HE2 LYS2716 -3.999 14.666 -3.986 736 HE3 LYS2716 HE1 LYS2716 -2.648 14.160 -2.977 737 HZ1 LYS2716 HZ1 LYS2716 -4.521 14.014 -1.173 738 HZ2 LYS2716 HZ2 LYS2716 -4.264 12.740 -2.254 739 HZ3 LYS2716 HZ3 LYS2716 -5.527 13.833 -2.522 740 H LYS2717 HN LYS2717 -1.977 14.677 -4.401 741 HA LYS2717 HA LYS2717 -0.349 13.797 -6.616 742 HB2 LYS2717 HB2 LYS2717 -2.434 12.668 -5.689 743 HB3 LYS2717 HB1 LYS2717 -3.343 14.013 -6.366 744 HG2 LYS2717 HG2 LYS2717 -2.027 13.343 -8.569 745 HG3 LYS2717 HG1 LYS2717 -1.974 11.778 -7.752 746 HD2 LYS2717 HD2 LYS2717 -4.208 11.443 -7.953 747 HD3 LYS2717 HD1 LYS2717 -4.593 13.158 -7.788 748 HE2 LYS2717 HE2 LYS2717 -3.300 11.980 -10.237 749 HE3 LYS2717 HE1 LYS2717 -5.047 12.139 -10.053 750 HZ1 LYS2717 HZ1 LYS2717 -4.086 13.999 -11.277 751 HZ2 LYS2717 HZ2 LYS2717 -3.095 14.379 -9.960 752 HZ3 LYS2717 HZ3 LYS2717 -4.774 14.525 -9.822
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