NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
24208 | 2k19 | 15673 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 9.400 -7.267 -6.885 2 HA MET 1 HA MET 1 9.580 -8.225 -9.617 3 HB2 MET 1 HB2 MET 1 11.396 -6.722 -10.238 4 HB3 MET 1 HB3 MET 1 9.946 -5.805 -9.849 5 HG2 MET 1 HG2 MET 1 10.904 -5.435 -7.567 6 HG3 MET 1 HG3 MET 1 12.400 -6.160 -8.152 7 HE1 MET 1 HE1 MET 1 14.033 -5.286 -9.260 8 HE2 MET 1 HE2 MET 1 13.545 -4.639 -10.827 9 HE3 MET 1 HE3 MET 1 14.312 -3.586 -9.638 10 H GLY 2 H GLY 2 11.337 -9.581 -9.981 11 HA2 GLY 2 HA2 GLY 2 13.426 -10.567 -9.406 12 HA3 GLY 2 HA3 GLY 2 13.221 -9.973 -7.765 13 H LYS 3 H LYS 3 13.638 -11.998 -6.861 14 HA LYS 3 HA LYS 3 11.858 -14.205 -7.541 15 HB2 LYS 3 HB2 LYS 3 14.182 -14.059 -5.610 16 HB3 LYS 3 HB3 LYS 3 13.274 -15.516 -5.991 17 HG2 LYS 3 HG2 LYS 3 14.506 -14.008 -8.233 18 HG3 LYS 3 HG3 LYS 3 15.558 -14.952 -7.176 19 HD2 LYS 3 HD2 LYS 3 15.038 -16.546 -8.730 20 HD3 LYS 3 HD3 LYS 3 13.717 -16.805 -7.588 21 HE2 LYS 3 HE2 LYS 3 12.157 -15.812 -8.964 22 HE3 LYS 3 HE3 LYS 3 13.364 -14.848 -9.813 23 HZ1 LYS 3 HZ1 LYS 3 12.516 -16.605 -11.220 24 HZ2 LYS 3 HZ2 LYS 3 12.972 -17.779 -10.092 25 HZ3 LYS 3 HZ3 LYS 3 14.154 -16.869 -10.891 26 H LEU 4 H LEU 4 10.344 -12.257 -6.526 27 HA LEU 4 HA LEU 4 10.076 -12.286 -3.699 28 HB2 LEU 4 HB2 LEU 4 9.235 -10.551 -5.396 29 HB3 LEU 4 HB3 LEU 4 7.861 -11.633 -5.614 30 HG LEU 4 HG LEU 4 7.524 -11.416 -3.085 31 HD11 LEU 4 HD11 LEU 4 8.825 -8.777 -3.226 32 HD12 LEU 4 HD12 LEU 4 9.903 -10.166 -3.101 33 HD13 LEU 4 HD13 LEU 4 8.666 -9.897 -1.874 34 HD21 LEU 4 HD21 LEU 4 6.418 -9.155 -3.399 35 HD22 LEU 4 HD22 LEU 4 5.940 -10.428 -4.523 36 HD23 LEU 4 HD23 LEU 4 7.071 -9.175 -5.039 37 H LYS 5 H LYS 5 8.577 -13.335 -2.396 38 HA LYS 5 HA LYS 5 6.953 -15.445 -3.619 39 HB2 LYS 5 HB2 LYS 5 7.744 -17.138 -2.135 40 HB3 LYS 5 HB3 LYS 5 9.158 -16.397 -2.872 41 HG2 LYS 5 HG2 LYS 5 9.521 -15.069 -0.858 42 HG3 LYS 5 HG3 LYS 5 8.097 -15.802 -0.117 43 HD2 LYS 5 HD2 LYS 5 9.774 -17.108 0.762 44 HD3 LYS 5 HD3 LYS 5 9.335 -18.042 -0.670 45 HE2 LYS 5 HE2 LYS 5 11.181 -16.575 -1.813 46 HE3 LYS 5 HE3 LYS 5 11.750 -16.363 -0.158 47 HZ1 LYS 5 HZ1 LYS 5 11.192 -19.086 -0.618 48 HZ2 LYS 5 HZ2 LYS 5 12.669 -18.360 -0.226 49 HZ3 LYS 5 HZ3 LYS 5 12.209 -18.520 -1.846 50 H TRP 6 H TRP 6 5.742 -16.591 -1.613 51 HA TRP 6 HA TRP 6 4.170 -14.467 -0.449 52 HB2 TRP 6 HB2 TRP 6 3.320 -16.717 -1.418 53 HB3 TRP 6 HB3 TRP 6 3.795 -17.390 0.139 54 HD1 TRP 6 HD1 TRP 6 1.433 -14.668 -1.278 55 HE1 TRP 6 HE1 TRP 6 -0.559 -14.428 0.334 56 HE3 TRP 6 HE3 TRP 6 2.969 -17.876 2.395 57 HZ2 TRP 6 HZ2 TRP 6 -1.372 -15.461 2.832 58 HZ3 TRP 6 HZ3 TRP 6 1.526 -18.193 4.362 59 HH2 TRP 6 HH2 TRP 6 -0.599 -17.010 4.575 60 H PHE 7 H PHE 7 4.346 -13.682 1.548 61 HA PHE 7 HA PHE 7 5.481 -15.295 3.680 62 HB2 PHE 7 HB2 PHE 7 7.161 -13.604 2.280 63 HB3 PHE 7 HB3 PHE 7 6.689 -12.634 3.671 64 HD1 PHE 7 HD1 PHE 7 7.673 -16.175 3.006 65 HD2 PHE 7 HD2 PHE 7 8.115 -12.720 5.453 66 HE1 PHE 7 HE1 PHE 7 9.318 -17.371 4.392 67 HE2 PHE 7 HE2 PHE 7 9.761 -13.910 6.841 68 HZ PHE 7 HZ PHE 7 10.366 -16.238 6.311 69 H SER 8 H SER 8 4.379 -14.972 5.496 70 HA SER 8 HA SER 8 2.267 -13.085 5.624 71 HB2 SER 8 HB2 SER 8 2.507 -15.379 6.821 72 HB3 SER 8 HB3 SER 8 3.388 -14.469 8.048 73 HG SER 8 HG SER 8 0.813 -14.732 7.881 74 H GLY 9 H GLY 9 5.063 -13.403 7.824 75 HA2 GLY 9 HA2 GLY 9 5.475 -10.521 7.730 76 HA3 GLY 9 HA3 GLY 9 4.968 -11.175 9.281 77 H GLY 10 H GLY 10 7.321 -9.857 9.184 78 HA2 GLY 10 HA2 GLY 10 9.156 -11.848 10.085 79 HA3 GLY 10 HA3 GLY 10 9.637 -11.199 8.524 80 H LYS 11 H LYS 11 11.546 -10.607 9.912 81 HA LYS 11 HA LYS 11 11.261 -8.495 11.813 82 HB2 LYS 11 HB2 LYS 11 13.644 -8.482 11.922 83 HB3 LYS 11 HB3 LYS 11 13.145 -10.161 11.761 84 HG2 LYS 11 HG2 LYS 11 13.647 -10.039 9.345 85 HG3 LYS 11 HG3 LYS 11 14.241 -8.393 9.583 86 HD2 LYS 11 HD2 LYS 11 15.344 -10.634 11.229 87 HD3 LYS 11 HD3 LYS 11 15.916 -10.390 9.578 88 HE2 LYS 11 HE2 LYS 11 17.419 -9.133 10.801 89 HE3 LYS 11 HE3 LYS 11 16.228 -7.922 10.329 90 HZ1 LYS 11 HZ1 LYS 11 15.365 -9.033 12.726 91 HZ2 LYS 11 HZ2 LYS 11 15.944 -7.466 12.462 92 HZ3 LYS 11 HZ3 LYS 11 17.012 -8.697 12.919 93 H GLU 12 H GLU 12 11.858 -8.677 8.371 94 HA GLU 12 HA GLU 12 12.746 -6.014 8.007 95 HB2 GLU 12 HB2 GLU 12 11.351 -7.836 6.037 96 HB3 GLU 12 HB3 GLU 12 12.249 -6.379 5.634 97 HG2 GLU 12 HG2 GLU 12 14.210 -7.587 6.849 98 HG3 GLU 12 HG3 GLU 12 13.255 -9.034 6.536 99 H ARG 13 H ARG 13 11.493 -4.443 8.872 100 HA ARG 13 HA ARG 13 8.649 -4.461 8.794 101 HB2 ARG 13 HB2 ARG 13 8.882 -2.084 9.564 102 HB3 ARG 13 HB3 ARG 13 9.721 -3.264 10.563 103 HG2 ARG 13 HG2 ARG 13 11.503 -2.338 8.541 104 HG3 ARG 13 HG3 ARG 13 10.763 -0.950 9.340 105 HD2 ARG 13 HD2 ARG 13 11.514 -1.665 11.472 106 HD3 ARG 13 HD3 ARG 13 11.976 -3.251 10.852 107 HE ARG 13 HE ARG 13 13.523 -1.549 9.425 108 HH11 ARG 13 HH11 ARG 13 12.939 -1.978 12.830 109 HH12 ARG 13 HH12 ARG 13 14.518 -1.445 13.301 110 HH21 ARG 13 HH21 ARG 13 15.606 -0.846 10.032 111 HH22 ARG 13 HH22 ARG 13 16.035 -0.801 11.709 112 H SER 14 H SER 14 11.154 -3.102 6.757 113 HA SER 14 HA SER 14 9.462 -1.387 5.250 114 HB2 SER 14 HB2 SER 14 12.200 -2.550 4.735 115 HB3 SER 14 HB3 SER 14 11.393 -1.493 3.575 116 HG SER 14 HG SER 14 12.363 -0.911 6.147 117 H ASN 15 H ASN 15 10.791 -4.626 4.618 118 HA ASN 15 HA ASN 15 9.470 -4.957 2.130 119 HB2 ASN 15 HB2 ASN 15 11.334 -6.344 2.427 120 HB3 ASN 15 HB3 ASN 15 10.835 -6.829 4.044 121 HD21 ASN 15 HD21 ASN 15 9.635 -8.613 4.293 122 HD22 ASN 15 HD22 ASN 15 9.039 -9.587 2.996 123 H GLN 16 H GLN 16 8.451 -5.267 5.396 124 HA GLN 16 HA GLN 16 6.411 -7.163 5.168 125 HB2 GLN 16 HB2 GLN 16 7.277 -6.195 7.303 126 HB3 GLN 16 HB3 GLN 16 6.401 -4.714 6.938 127 HG2 GLN 16 HG2 GLN 16 4.325 -5.722 7.233 128 HG3 GLN 16 HG3 GLN 16 4.988 -7.348 7.075 129 HE21 GLN 16 HE21 GLN 16 7.016 -7.430 8.790 130 HE22 GLN 16 HE22 GLN 16 6.484 -7.144 10.409 131 H ALA 17 H ALA 17 6.082 -3.609 5.106 132 HA ALA 17 HA ALA 17 3.414 -3.453 4.433 133 HB1 ALA 17 HB1 ALA 17 3.783 -1.224 3.849 134 HB2 ALA 17 HB2 ALA 17 5.064 -1.579 5.008 135 HB3 ALA 17 HB3 ALA 17 5.421 -1.547 3.282 136 H GLU 18 H GLU 18 6.201 -3.676 2.238 137 HA GLU 18 HA GLU 18 4.871 -3.455 -0.182 138 HB2 GLU 18 HB2 GLU 18 7.315 -5.065 0.557 139 HB3 GLU 18 HB3 GLU 18 6.759 -4.863 -1.098 140 HG2 GLU 18 HG2 GLU 18 7.246 -2.587 -1.116 141 HG3 GLU 18 HG3 GLU 18 7.319 -2.494 0.643 142 H ASN 19 H ASN 19 5.435 -6.338 1.800 143 HA ASN 19 HA ASN 19 4.281 -8.187 0.004 144 HB2 ASN 19 HB2 ASN 19 4.974 -8.209 2.913 145 HB3 ASN 19 HB3 ASN 19 3.956 -9.497 2.276 146 HD21 ASN 19 HD21 ASN 19 6.544 -9.817 3.371 147 HD22 ASN 19 HD22 ASN 19 7.573 -10.421 2.121 148 H ILE 20 H ILE 20 2.951 -6.291 2.670 149 HA ILE 20 HA ILE 20 0.415 -7.463 2.792 150 HB ILE 20 HB ILE 20 1.161 -4.587 3.335 151 HG12 ILE 20 HG12 ILE 20 0.805 -6.799 5.352 152 HG13 ILE 20 HG13 ILE 20 2.365 -6.460 4.610 153 HG21 ILE 20 HG21 ILE 20 -0.985 -4.211 3.748 154 HG22 ILE 20 HG22 ILE 20 -1.373 -5.863 3.270 155 HG23 ILE 20 HG23 ILE 20 -0.983 -5.501 4.952 156 HD11 ILE 20 HD11 ILE 20 1.466 -5.355 6.912 157 HD12 ILE 20 HD12 ILE 20 2.701 -4.646 5.871 158 HD13 ILE 20 HD13 ILE 20 1.025 -4.116 5.738 159 H ILE 21 H ILE 21 1.395 -4.489 1.079 160 HA ILE 21 HA ILE 21 -0.985 -3.900 -0.171 161 HB ILE 21 HB ILE 21 1.781 -3.566 -1.335 162 HG12 ILE 21 HG12 ILE 21 0.110 -1.568 0.196 163 HG13 ILE 21 HG13 ILE 21 1.374 -2.547 0.934 164 HG21 ILE 21 HG21 ILE 21 0.639 -2.967 -3.166 165 HG22 ILE 21 HG22 ILE 21 -0.884 -2.833 -2.288 166 HG23 ILE 21 HG23 ILE 21 0.266 -1.497 -2.267 167 HD11 ILE 21 HD11 ILE 21 2.001 -0.851 -1.436 168 HD12 ILE 21 HD12 ILE 21 1.892 -0.132 0.171 169 HD13 ILE 21 HD13 ILE 21 3.060 -1.415 -0.145 170 H THR 22 H THR 22 1.546 -6.134 -1.236 171 HA THR 22 HA THR 22 0.554 -6.769 -3.754 172 HB THR 22 HB THR 22 2.000 -8.596 -1.825 173 HG1 THR 22 HG1 THR 22 2.817 -6.613 -3.644 174 HG21 THR 22 HG21 THR 22 0.949 -9.014 -4.505 175 HG22 THR 22 HG22 THR 22 1.595 -10.181 -3.352 176 HG23 THR 22 HG23 THR 22 2.688 -9.294 -4.413 177 H ASP 23 H ASP 23 -0.485 -7.817 -0.592 178 HA ASP 23 HA ASP 23 -1.953 -10.091 -1.276 179 HB2 ASP 23 HB2 ASP 23 -1.412 -9.172 1.054 180 HB3 ASP 23 HB3 ASP 23 -2.816 -8.129 0.843 181 H LEU 24 H LEU 24 -3.383 -6.903 -0.566 182 HA LEU 24 HA LEU 24 -5.899 -7.370 -1.562 183 HB2 LEU 24 HB2 LEU 24 -4.290 -4.824 -1.582 184 HB3 LEU 24 HB3 LEU 24 -6.008 -4.898 -1.968 185 HG LEU 24 HG LEU 24 -4.701 -5.474 0.687 186 HD11 LEU 24 HD11 LEU 24 -5.988 -3.595 1.466 187 HD12 LEU 24 HD12 LEU 24 -6.752 -3.416 -0.112 188 HD13 LEU 24 HD13 LEU 24 -5.026 -3.101 0.072 189 HD21 LEU 24 HD21 LEU 24 -7.063 -5.800 1.471 190 HD22 LEU 24 HD22 LEU 24 -6.428 -7.093 0.454 191 HD23 LEU 24 HD23 LEU 24 -7.539 -5.901 -0.224 192 H LEU 25 H LEU 25 -2.995 -6.457 -3.326 193 HA LEU 25 HA LEU 25 -4.107 -5.806 -5.788 194 HB2 LEU 25 HB2 LEU 25 -1.492 -6.686 -4.801 195 HB3 LEU 25 HB3 LEU 25 -1.797 -7.077 -6.492 196 HG LEU 25 HG LEU 25 -0.582 -4.974 -6.258 197 HD11 LEU 25 HD11 LEU 25 -1.641 -4.588 -8.177 198 HD12 LEU 25 HD12 LEU 25 -2.752 -3.585 -7.246 199 HD13 LEU 25 HD13 LEU 25 -3.151 -5.270 -7.574 200 HD21 LEU 25 HD21 LEU 25 -2.945 -4.217 -4.566 201 HD22 LEU 25 HD22 LEU 25 -1.921 -3.006 -5.341 202 HD23 LEU 25 HD23 LEU 25 -1.229 -4.128 -4.168 203 H ASP 26 H ASP 26 -3.323 -8.962 -4.420 204 HA ASP 26 HA ASP 26 -3.703 -10.531 -6.697 205 HB2 ASP 26 HB2 ASP 26 -2.743 -11.330 -4.538 206 HB3 ASP 26 HB3 ASP 26 -4.363 -11.299 -3.848 207 H ASP 27 H ASP 27 -6.045 -10.161 -4.031 208 HA ASP 27 HA ASP 27 -8.218 -11.239 -5.427 209 HB2 ASP 27 HB2 ASP 27 -8.168 -9.290 -3.114 210 HB3 ASP 27 HB3 ASP 27 -9.616 -10.115 -3.686 211 H LEU 28 H LEU 28 -6.844 -8.049 -5.433 212 HA LEU 28 HA LEU 28 -9.084 -6.683 -6.525 213 HB2 LEU 28 HB2 LEU 28 -6.172 -6.095 -6.238 214 HB3 LEU 28 HB3 LEU 28 -7.164 -5.071 -7.276 215 HG LEU 28 HG LEU 28 -7.719 -5.563 -4.352 216 HD11 LEU 28 HD11 LEU 28 -6.530 -3.707 -3.784 217 HD12 LEU 28 HD12 LEU 28 -6.716 -2.960 -5.370 218 HD13 LEU 28 HD13 LEU 28 -5.553 -4.265 -5.142 219 HD21 LEU 28 HD21 LEU 28 -8.745 -3.186 -5.750 220 HD22 LEU 28 HD22 LEU 28 -9.521 -4.230 -4.560 221 HD23 LEU 28 HD23 LEU 28 -9.447 -4.724 -6.253 222 H LYS 29 H LYS 29 -6.692 -8.755 -7.853 223 HA LYS 29 HA LYS 29 -6.402 -7.917 -10.452 224 HB2 LYS 29 HB2 LYS 29 -5.345 -9.934 -9.351 225 HB3 LYS 29 HB3 LYS 29 -6.843 -10.800 -9.669 226 HG2 LYS 29 HG2 LYS 29 -5.795 -11.419 -11.549 227 HG3 LYS 29 HG3 LYS 29 -6.305 -9.832 -12.131 228 HD2 LYS 29 HD2 LYS 29 -3.645 -10.468 -10.854 229 HD3 LYS 29 HD3 LYS 29 -3.930 -10.247 -12.582 230 HE2 LYS 29 HE2 LYS 29 -4.393 -8.167 -10.445 231 HE3 LYS 29 HE3 LYS 29 -3.001 -8.231 -11.525 232 HZ1 LYS 29 HZ1 LYS 29 -5.279 -8.336 -13.114 233 HZ2 LYS 29 HZ2 LYS 29 -4.165 -7.070 -12.985 234 HZ3 LYS 29 HZ3 LYS 29 -5.532 -7.095 -11.991 235 H THR 30 H THR 30 -7.724 -7.605 -12.116 236 HA THR 30 HA THR 30 -9.680 -7.420 -13.287 237 HB THR 30 HB THR 30 -10.849 -9.701 -13.610 238 HG1 THR 30 HG1 THR 30 -8.449 -10.686 -12.464 239 HG21 THR 30 HG21 THR 30 -7.932 -9.718 -14.326 240 HG22 THR 30 HG22 THR 30 -9.054 -8.574 -15.066 241 HG23 THR 30 HG23 THR 30 -9.305 -10.309 -15.262 242 H ASP 31 H ASP 31 -9.941 -6.721 -10.540 243 HA ASP 31 HA ASP 31 -12.289 -7.894 -9.425 244 HB2 ASP 31 HB2 ASP 31 -10.600 -6.795 -8.022 245 HB3 ASP 31 HB3 ASP 31 -10.950 -5.254 -8.798 246 H LEU 32 H LEU 32 -14.319 -6.772 -9.051 247 HA LEU 32 HA LEU 32 -15.114 -5.237 -11.415 248 HB2 LEU 32 HB2 LEU 32 -16.788 -6.612 -9.318 249 HB3 LEU 32 HB3 LEU 32 -17.411 -5.785 -10.745 250 HG LEU 32 HG LEU 32 -15.614 -8.202 -10.862 251 HD11 LEU 32 HD11 LEU 32 -17.937 -8.475 -9.757 252 HD12 LEU 32 HD12 LEU 32 -17.457 -9.590 -11.037 253 HD13 LEU 32 HD13 LEU 32 -18.557 -8.259 -11.394 254 HD21 LEU 32 HD21 LEU 32 -17.236 -6.691 -12.897 255 HD22 LEU 32 HD22 LEU 32 -16.604 -8.313 -13.179 256 HD23 LEU 32 HD23 LEU 32 -15.495 -6.973 -12.884 257 H ASP 33 H ASP 33 -14.689 -4.964 -7.996 258 HA ASP 33 HA ASP 33 -16.282 -2.577 -7.719 259 HB2 ASP 33 HB2 ASP 33 -16.116 -3.989 -5.791 260 HB3 ASP 33 HB3 ASP 33 -14.356 -3.984 -5.866 261 H ASN 34 H ASN 34 -12.862 -3.036 -6.859 262 HA ASN 34 HA ASN 34 -12.323 -0.289 -7.657 263 HB2 ASN 34 HB2 ASN 34 -10.504 -2.318 -6.341 264 HB3 ASN 34 HB3 ASN 34 -10.159 -0.604 -6.556 265 HD21 ASN 34 HD21 ASN 34 -9.964 -1.517 -4.088 266 HD22 ASN 34 HD22 ASN 34 -11.303 -1.020 -3.115 267 H GLU 35 H GLU 35 -11.335 0.278 -9.487 268 HA GLU 35 HA GLU 35 -9.870 -1.784 -10.990 269 HB2 GLU 35 HB2 GLU 35 -12.282 -0.986 -11.799 270 HB3 GLU 35 HB3 GLU 35 -11.337 0.322 -12.497 271 HG2 GLU 35 HG2 GLU 35 -10.354 -2.418 -12.980 272 HG3 GLU 35 HG3 GLU 35 -11.858 -1.961 -13.778 273 H SER 36 H SER 36 -10.360 1.655 -10.370 274 HA SER 36 HA SER 36 -7.776 2.260 -11.613 275 HB2 SER 36 HB2 SER 36 -8.978 4.629 -10.636 276 HB3 SER 36 HB3 SER 36 -8.833 4.107 -12.314 277 HG SER 36 HG SER 36 -10.890 3.729 -12.315 278 H LEU 37 H LEU 37 -9.373 2.072 -8.543 279 HA LEU 37 HA LEU 37 -7.720 3.678 -6.975 280 HB2 LEU 37 HB2 LEU 37 -9.868 2.057 -6.524 281 HB3 LEU 37 HB3 LEU 37 -8.574 1.171 -5.718 282 HG LEU 37 HG LEU 37 -9.614 2.512 -4.071 283 HD11 LEU 37 HD11 LEU 37 -7.317 4.287 -4.708 284 HD12 LEU 37 HD12 LEU 37 -7.003 2.573 -4.432 285 HD13 LEU 37 HD13 LEU 37 -7.783 3.540 -3.180 286 HD21 LEU 37 HD21 LEU 37 -10.614 4.066 -5.870 287 HD22 LEU 37 HD22 LEU 37 -9.144 5.016 -5.650 288 HD23 LEU 37 HD23 LEU 37 -10.232 4.744 -4.287 289 H LYS 38 H LYS 38 -7.302 0.370 -8.099 290 HA LYS 38 HA LYS 38 -5.201 -0.482 -6.534 291 HB2 LYS 38 HB2 LYS 38 -5.664 -0.981 -9.480 292 HB3 LYS 38 HB3 LYS 38 -4.534 -1.887 -8.481 293 HG2 LYS 38 HG2 LYS 38 -6.149 -3.139 -7.573 294 HG3 LYS 38 HG3 LYS 38 -7.254 -1.772 -7.409 295 HD2 LYS 38 HD2 LYS 38 -8.155 -3.422 -8.955 296 HD3 LYS 38 HD3 LYS 38 -7.779 -1.920 -9.803 297 HE2 LYS 38 HE2 LYS 38 -6.245 -2.912 -11.097 298 HE3 LYS 38 HE3 LYS 38 -5.551 -3.803 -9.744 299 HZ1 LYS 38 HZ1 LYS 38 -6.519 -5.260 -11.440 300 HZ2 LYS 38 HZ2 LYS 38 -8.038 -4.564 -11.177 301 HZ3 LYS 38 HZ3 LYS 38 -7.285 -5.441 -9.942 302 H LYS 39 H LYS 39 -5.207 1.886 -9.076 303 HA LYS 39 HA LYS 39 -2.550 1.969 -9.827 304 HB2 LYS 39 HB2 LYS 39 -2.957 4.119 -10.650 305 HB3 LYS 39 HB3 LYS 39 -4.546 3.368 -10.662 306 HG2 LYS 39 HG2 LYS 39 -4.893 4.456 -8.384 307 HG3 LYS 39 HG3 LYS 39 -3.466 5.423 -8.766 308 HD2 LYS 39 HD2 LYS 39 -6.006 5.266 -10.390 309 HD3 LYS 39 HD3 LYS 39 -5.501 6.616 -9.371 310 HE2 LYS 39 HE2 LYS 39 -4.177 5.615 -11.886 311 HE3 LYS 39 HE3 LYS 39 -4.984 7.163 -11.642 312 HZ1 LYS 39 HZ1 LYS 39 -3.104 7.168 -9.709 313 HZ2 LYS 39 HZ2 LYS 39 -2.938 7.909 -11.219 314 HZ3 LYS 39 HZ3 LYS 39 -2.302 6.364 -10.962 315 H VAL 40 H VAL 40 -4.071 3.196 -6.912 316 HA VAL 40 HA VAL 40 -1.858 4.711 -5.984 317 HB VAL 40 HB VAL 40 -4.199 3.509 -4.507 318 HG11 VAL 40 HG11 VAL 40 -3.476 5.263 -2.750 319 HG12 VAL 40 HG12 VAL 40 -2.626 3.718 -2.810 320 HG13 VAL 40 HG13 VAL 40 -1.898 5.156 -3.528 321 HG21 VAL 40 HG21 VAL 40 -4.001 5.708 -6.213 322 HG22 VAL 40 HG22 VAL 40 -5.335 5.320 -5.126 323 HG23 VAL 40 HG23 VAL 40 -4.038 6.386 -4.585 324 H LEU 41 H LEU 41 -3.129 1.595 -4.792 325 HA LEU 41 HA LEU 41 -1.039 0.950 -3.105 326 HB2 LEU 41 HB2 LEU 41 -2.965 -0.714 -4.678 327 HB3 LEU 41 HB3 LEU 41 -1.707 -1.480 -3.710 328 HG LEU 41 HG LEU 41 -2.626 -0.299 -1.712 329 HD11 LEU 41 HD11 LEU 41 -4.824 0.437 -3.639 330 HD12 LEU 41 HD12 LEU 41 -3.741 1.544 -2.797 331 HD13 LEU 41 HD13 LEU 41 -4.917 0.600 -1.885 332 HD21 LEU 41 HD21 LEU 41 -4.012 -2.028 -1.277 333 HD22 LEU 41 HD22 LEU 41 -3.354 -2.647 -2.793 334 HD23 LEU 41 HD23 LEU 41 -4.916 -1.827 -2.778 335 H GLU 42 H GLU 42 -1.430 0.022 -6.521 336 HA GLU 42 HA GLU 42 0.947 -1.406 -6.796 337 HB2 GLU 42 HB2 GLU 42 -0.624 0.204 -8.809 338 HB3 GLU 42 HB3 GLU 42 0.749 -0.805 -9.242 339 HG2 GLU 42 HG2 GLU 42 -0.571 -2.679 -8.032 340 HG3 GLU 42 HG3 GLU 42 -1.953 -1.610 -8.265 341 H ASN 43 H ASN 43 0.332 1.998 -7.672 342 HA ASN 43 HA ASN 43 2.919 2.675 -8.406 343 HB2 ASN 43 HB2 ASN 43 0.664 4.296 -7.240 344 HB3 ASN 43 HB3 ASN 43 2.206 5.036 -7.659 345 HD21 ASN 43 HD21 ASN 43 0.704 6.271 -9.069 346 HD22 ASN 43 HD22 ASN 43 0.391 5.640 -10.647 347 H TYR 44 H TYR 44 1.399 3.404 -5.258 348 HA TYR 44 HA TYR 44 3.645 4.305 -3.937 349 HB2 TYR 44 HB2 TYR 44 1.104 3.016 -3.052 350 HB3 TYR 44 HB3 TYR 44 2.391 3.213 -1.870 351 HD1 TYR 44 HD1 TYR 44 0.284 5.090 -4.286 352 HD2 TYR 44 HD2 TYR 44 2.735 5.279 -0.814 353 HE1 TYR 44 HE1 TYR 44 -0.411 7.423 -3.930 354 HE2 TYR 44 HE2 TYR 44 2.046 7.612 -0.448 355 HH TYR 44 HH TYR 44 0.046 9.326 -2.785 356 H LEU 45 H LEU 45 2.513 0.980 -4.343 357 HA LEU 45 HA LEU 45 4.299 -0.314 -2.648 358 HB2 LEU 45 HB2 LEU 45 2.414 -1.439 -3.676 359 HB3 LEU 45 HB3 LEU 45 3.141 -1.247 -5.270 360 HG LEU 45 HG LEU 45 5.046 -2.698 -4.401 361 HD11 LEU 45 HD11 LEU 45 3.684 -2.405 -1.998 362 HD12 LEU 45 HD12 LEU 45 5.013 -3.514 -2.335 363 HD13 LEU 45 HD13 LEU 45 3.345 -4.060 -2.506 364 HD21 LEU 45 HD21 LEU 45 4.060 -4.464 -5.388 365 HD22 LEU 45 HD22 LEU 45 2.782 -3.302 -5.743 366 HD23 LEU 45 HD23 LEU 45 2.632 -4.381 -4.356 367 H GLU 46 H GLU 46 4.722 0.833 -5.949 368 HA GLU 46 HA GLU 46 7.212 -0.424 -6.428 369 HB2 GLU 46 HB2 GLU 46 5.775 0.469 -8.225 370 HB3 GLU 46 HB3 GLU 46 6.087 2.101 -7.653 371 HG2 GLU 46 HG2 GLU 46 8.194 2.152 -8.501 372 HG3 GLU 46 HG3 GLU 46 8.428 0.414 -8.322 373 H GLU 47 H GLU 47 6.289 2.572 -4.879 374 HA GLU 47 HA GLU 47 8.702 3.943 -4.902 375 HB2 GLU 47 HB2 GLU 47 6.694 3.859 -2.643 376 HB3 GLU 47 HB3 GLU 47 7.894 5.115 -2.919 377 HG2 GLU 47 HG2 GLU 47 5.910 4.501 -5.054 378 HG3 GLU 47 HG3 GLU 47 5.416 5.455 -3.655 379 H LEU 48 H LEU 48 7.511 1.595 -2.510 380 HA LEU 48 HA LEU 48 9.638 1.655 -0.742 381 HB2 LEU 48 HB2 LEU 48 8.030 -0.760 -1.561 382 HB3 LEU 48 HB3 LEU 48 8.979 -0.598 -0.084 383 HG LEU 48 HG LEU 48 7.048 1.530 -0.271 384 HD11 LEU 48 HD11 LEU 48 5.686 -1.096 0.013 385 HD12 LEU 48 HD12 LEU 48 6.009 -0.492 -1.613 386 HD13 LEU 48 HD13 LEU 48 5.042 0.467 -0.492 387 HD21 LEU 48 HD21 LEU 48 7.453 -0.764 1.645 388 HD22 LEU 48 HD22 LEU 48 6.384 0.611 1.923 389 HD23 LEU 48 HD23 LEU 48 8.126 0.861 1.784 390 H LYS 49 H LYS 49 9.419 0.209 -3.896 391 HA LYS 49 HA LYS 49 11.607 -1.564 -3.705 392 HB2 LYS 49 HB2 LYS 49 10.717 -0.161 -6.220 393 HB3 LYS 49 HB3 LYS 49 11.493 -1.733 -6.079 394 HG2 LYS 49 HG2 LYS 49 8.699 -1.020 -5.216 395 HG3 LYS 49 HG3 LYS 49 9.163 -2.024 -6.590 396 HD2 LYS 49 HD2 LYS 49 10.145 -3.664 -5.069 397 HD3 LYS 49 HD3 LYS 49 9.712 -2.652 -3.689 398 HE2 LYS 49 HE2 LYS 49 7.326 -2.906 -5.009 399 HE3 LYS 49 HE3 LYS 49 8.072 -4.481 -5.274 400 HZ1 LYS 49 HZ1 LYS 49 6.955 -3.379 -2.883 401 HZ2 LYS 49 HZ2 LYS 49 8.521 -3.971 -2.636 402 HZ3 LYS 49 HZ3 LYS 49 7.320 -4.988 -3.259 403 H GLN 50 H GLN 50 11.362 1.853 -4.474 404 HA GLN 50 HA GLN 50 14.094 2.102 -5.309 405 HB2 GLN 50 HB2 GLN 50 12.283 4.340 -4.417 406 HB3 GLN 50 HB3 GLN 50 13.663 4.436 -5.502 407 HG2 GLN 50 HG2 GLN 50 11.095 2.984 -6.098 408 HG3 GLN 50 HG3 GLN 50 11.508 4.601 -6.669 409 HE21 GLN 50 HE21 GLN 50 10.897 2.285 -8.250 410 HE22 GLN 50 HE22 GLN 50 12.288 1.954 -9.219 411 H LYS 51 H LYS 51 15.781 3.152 -4.201 412 HA LYS 51 HA LYS 51 15.613 2.857 -1.298 413 HB2 LYS 51 HB2 LYS 51 18.092 3.085 -1.381 414 HB3 LYS 51 HB3 LYS 51 17.478 1.735 -2.327 415 HG2 LYS 51 HG2 LYS 51 17.918 2.796 -4.354 416 HG3 LYS 51 HG3 LYS 51 18.041 4.388 -3.599 417 HD2 LYS 51 HD2 LYS 51 19.962 2.191 -2.903 418 HD3 LYS 51 HD3 LYS 51 20.209 3.197 -4.333 419 HE2 LYS 51 HE2 LYS 51 20.016 5.198 -2.809 420 HE3 LYS 51 HE3 LYS 51 20.078 4.072 -1.455 421 HZ1 LYS 51 HZ1 LYS 51 22.249 3.466 -1.960 422 HZ2 LYS 51 HZ2 LYS 51 22.246 5.137 -2.217 423 HZ3 LYS 51 HZ3 LYS 51 22.174 4.079 -3.535 424 H SER 52 H SER 52 14.779 5.206 -3.240 425 HA SER 52 HA SER 52 16.291 7.402 -2.111 426 HB2 SER 52 HB2 SER 52 13.862 7.471 -3.917 427 HB3 SER 52 HB3 SER 52 14.934 8.824 -3.554 428 HG SER 52 HG SER 52 15.279 6.708 -5.286 429 H ALA 53 H ALA 53 12.771 6.923 -2.388 430 HA ALA 53 HA ALA 53 12.250 8.559 -0.106 431 HB1 ALA 53 HB1 ALA 53 9.914 7.967 -0.458 432 HB2 ALA 53 HB2 ALA 53 10.684 8.412 -1.981 433 HB3 ALA 53 HB3 ALA 53 10.393 6.714 -1.605 434 H SER 54 H SER 54 11.609 7.983 1.942 435 HA SER 54 HA SER 54 12.544 5.449 2.897 436 HB2 SER 54 HB2 SER 54 12.389 7.868 4.054 437 HB3 SER 54 HB3 SER 54 10.886 7.175 4.661 438 HG SER 54 HG SER 54 13.356 6.736 5.519 439 H VAL 55 H VAL 55 11.353 3.781 3.826 440 HA VAL 55 HA VAL 55 9.018 2.993 2.591 441 HB VAL 55 HB VAL 55 10.398 2.165 5.091 442 HG11 VAL 55 HG11 VAL 55 8.256 2.025 5.991 443 HG12 VAL 55 HG12 VAL 55 7.534 1.554 4.451 444 HG13 VAL 55 HG13 VAL 55 8.532 0.408 5.346 445 HG21 VAL 55 HG21 VAL 55 9.616 -0.024 3.541 446 HG22 VAL 55 HG22 VAL 55 10.052 1.234 2.386 447 HG23 VAL 55 HG23 VAL 55 11.214 0.719 3.609 448 HA PRO 56 HA PRO 56 6.478 4.560 6.396 449 HB2 PRO 56 HB2 PRO 56 7.759 6.174 8.163 450 HB3 PRO 56 HB3 PRO 56 7.721 4.413 8.321 451 HG2 PRO 56 HG2 PRO 56 9.879 6.171 7.217 452 HG3 PRO 56 HG3 PRO 56 10.019 4.771 8.295 453 HD2 PRO 56 HD2 PRO 56 10.505 4.617 5.635 454 HD3 PRO 56 HD3 PRO 56 9.833 3.261 6.563 455 H LEU 57 H LEU 57 8.719 6.452 4.615 456 HA LEU 57 HA LEU 57 7.393 8.977 5.027 457 HB2 LEU 57 HB2 LEU 57 9.699 9.121 4.593 458 HB3 LEU 57 HB3 LEU 57 9.588 8.033 3.210 459 HG LEU 57 HG LEU 57 8.457 9.766 1.920 460 HD11 LEU 57 HD11 LEU 57 8.912 11.582 4.279 461 HD12 LEU 57 HD12 LEU 57 7.358 10.855 3.871 462 HD13 LEU 57 HD13 LEU 57 8.125 11.983 2.752 463 HD21 LEU 57 HD21 LEU 57 10.429 11.527 2.179 464 HD22 LEU 57 HD22 LEU 57 10.676 9.941 1.448 465 HD23 LEU 57 HD23 LEU 57 11.128 10.217 3.130 466 H ILE 58 H ILE 58 7.197 6.329 2.788 467 HA ILE 58 HA ILE 58 5.534 7.850 0.935 468 HB ILE 58 HB ILE 58 6.398 4.958 0.805 469 HG12 ILE 58 HG12 ILE 58 7.494 6.796 -1.176 470 HG13 ILE 58 HG13 ILE 58 7.953 7.233 0.466 471 HG21 ILE 58 HG21 ILE 58 4.504 6.515 -0.723 472 HG22 ILE 58 HG22 ILE 58 5.798 5.890 -1.744 473 HG23 ILE 58 HG23 ILE 58 4.834 4.783 -0.767 474 HD11 ILE 58 HD11 ILE 58 8.332 4.484 0.329 475 HD12 ILE 58 HD12 ILE 58 8.926 5.111 -1.210 476 HD13 ILE 58 HD13 ILE 58 9.572 5.737 0.307 477 H LEU 59 H LEU 59 5.300 5.139 3.189 478 HA LEU 59 HA LEU 59 2.688 4.336 2.630 479 HB2 LEU 59 HB2 LEU 59 4.360 4.237 5.117 480 HB3 LEU 59 HB3 LEU 59 2.710 3.619 5.095 481 HG LEU 59 HG LEU 59 4.819 2.630 3.193 482 HD11 LEU 59 HD11 LEU 59 4.959 0.672 4.790 483 HD12 LEU 59 HD12 LEU 59 4.196 1.717 5.988 484 HD13 LEU 59 HD13 LEU 59 5.759 2.158 5.302 485 HD21 LEU 59 HD21 LEU 59 2.853 0.721 3.978 486 HD22 LEU 59 HD22 LEU 59 3.166 1.397 2.379 487 HD23 LEU 59 HD23 LEU 59 2.041 2.203 3.472 488 H SER 60 H SER 60 3.906 6.928 4.674 489 HA SER 60 HA SER 60 1.560 7.580 6.032 490 HB2 SER 60 HB2 SER 60 3.636 8.577 6.714 491 HB3 SER 60 HB3 SER 60 3.862 9.323 5.133 492 HG SER 60 HG SER 60 1.684 9.906 6.852 493 H ARG 61 H ARG 61 2.765 8.723 2.897 494 HA ARG 61 HA ARG 61 0.565 10.469 2.419 495 HB2 ARG 61 HB2 ARG 61 2.888 9.464 0.866 496 HB3 ARG 61 HB3 ARG 61 1.512 10.054 -0.056 497 HG2 ARG 61 HG2 ARG 61 3.086 11.837 0.239 498 HG3 ARG 61 HG3 ARG 61 1.640 12.185 1.191 499 HD2 ARG 61 HD2 ARG 61 2.757 11.414 3.206 500 HD3 ARG 61 HD3 ARG 61 4.186 10.979 2.269 501 HE ARG 61 HE ARG 61 3.729 13.659 1.786 502 HH11 ARG 61 HH11 ARG 61 4.423 11.644 4.539 503 HH12 ARG 61 HH12 ARG 61 5.253 12.891 5.407 504 HH21 ARG 61 HH21 ARG 61 4.819 15.310 2.920 505 HH22 ARG 61 HH22 ARG 61 5.477 14.977 4.487 506 H MET 62 H MET 62 1.189 7.093 1.826 507 HA MET 62 HA MET 62 -0.617 6.501 -0.175 508 HB2 MET 62 HB2 MET 62 1.040 4.993 1.202 509 HB3 MET 62 HB3 MET 62 -0.389 4.664 2.175 510 HG2 MET 62 HG2 MET 62 -1.564 3.864 0.199 511 HG3 MET 62 HG3 MET 62 -0.150 4.216 -0.792 512 HE1 MET 62 HE1 MET 62 -0.704 0.797 2.195 513 HE2 MET 62 HE2 MET 62 -0.311 2.374 2.881 514 HE3 MET 62 HE3 MET 62 -1.774 2.171 1.916 515 H ASN 63 H ASN 63 -1.253 6.366 3.335 516 HA ASN 63 HA ASN 63 -3.956 5.786 3.222 517 HB2 ASN 63 HB2 ASN 63 -2.408 7.418 5.241 518 HB3 ASN 63 HB3 ASN 63 -4.080 6.916 5.473 519 HD21 ASN 63 HD21 ASN 63 -2.387 6.140 7.336 520 HD22 ASN 63 HD22 ASN 63 -2.005 4.460 7.198 521 H LEU 64 H LEU 64 -2.344 8.930 3.079 522 HA LEU 64 HA LEU 64 -4.750 10.454 3.050 523 HB2 LEU 64 HB2 LEU 64 -2.032 11.254 2.028 524 HB3 LEU 64 HB3 LEU 64 -3.351 12.330 2.483 525 HG LEU 64 HG LEU 64 -2.256 10.504 4.559 526 HD11 LEU 64 HD11 LEU 64 -0.179 11.257 4.363 527 HD12 LEU 64 HD12 LEU 64 -0.785 12.855 4.794 528 HD13 LEU 64 HD13 LEU 64 -0.644 12.394 3.097 529 HD21 LEU 64 HD21 LEU 64 -3.198 11.966 6.001 530 HD22 LEU 64 HD22 LEU 64 -4.183 12.369 4.595 531 HD23 LEU 64 HD23 LEU 64 -2.793 13.371 5.014 532 H ASP 65 H ASP 65 -3.029 8.675 0.680 533 HA ASP 65 HA ASP 65 -4.142 10.121 -1.572 534 HB2 ASP 65 HB2 ASP 65 -1.856 8.732 -1.324 535 HB3 ASP 65 HB3 ASP 65 -2.890 7.457 -1.962 536 H ILE 66 H ILE 66 -4.448 6.857 -0.186 537 HA ILE 66 HA ILE 66 -6.496 6.002 -1.929 538 HB ILE 66 HB ILE 66 -5.978 5.006 0.873 539 HG12 ILE 66 HG12 ILE 66 -4.778 4.042 -1.732 540 HG13 ILE 66 HG13 ILE 66 -3.929 5.017 -0.537 541 HG21 ILE 66 HG21 ILE 66 -7.456 3.383 0.475 542 HG22 ILE 66 HG22 ILE 66 -8.007 4.373 -0.876 543 HG23 ILE 66 HG23 ILE 66 -6.825 3.094 -1.147 544 HD11 ILE 66 HD11 ILE 66 -3.241 2.801 -0.185 545 HD12 ILE 66 HD12 ILE 66 -4.391 3.153 1.105 546 HD13 ILE 66 HD13 ILE 66 -4.890 2.188 -0.284 547 H SER 67 H SER 67 -6.589 7.362 1.350 548 HA SER 67 HA SER 67 -9.275 7.162 1.902 549 HB2 SER 67 HB2 SER 67 -7.851 7.993 3.611 550 HB3 SER 67 HB3 SER 67 -7.284 9.321 2.599 551 HG SER 67 HG SER 67 -8.898 9.881 4.222 552 H LYS 68 H LYS 68 -7.639 9.795 0.157 553 HA LYS 68 HA LYS 68 -9.968 11.299 -0.363 554 HB2 LYS 68 HB2 LYS 68 -8.560 12.744 -1.369 555 HB3 LYS 68 HB3 LYS 68 -7.298 11.716 -0.703 556 HG2 LYS 68 HG2 LYS 68 -7.347 10.422 -2.847 557 HG3 LYS 68 HG3 LYS 68 -8.424 11.663 -3.490 558 HD2 LYS 68 HD2 LYS 68 -5.817 12.442 -2.248 559 HD3 LYS 68 HD3 LYS 68 -5.859 11.834 -3.905 560 HE2 LYS 68 HE2 LYS 68 -7.765 13.598 -4.191 561 HE3 LYS 68 HE3 LYS 68 -7.032 14.333 -2.766 562 HZ1 LYS 68 HZ1 LYS 68 -6.141 14.369 -5.466 563 HZ2 LYS 68 HZ2 LYS 68 -4.935 13.767 -4.445 564 HZ3 LYS 68 HZ3 LYS 68 -5.608 15.290 -4.151 565 H ALA 69 H ALA 69 -8.455 8.614 -2.019 566 HA ALA 69 HA ALA 69 -9.880 8.839 -4.459 567 HB1 ALA 69 HB1 ALA 69 -7.769 7.401 -3.749 568 HB2 ALA 69 HB2 ALA 69 -9.005 6.167 -3.508 569 HB3 ALA 69 HB3 ALA 69 -8.815 6.927 -5.087 570 H ILE 70 H ILE 70 -10.785 7.782 -1.336 571 HA ILE 70 HA ILE 70 -12.764 5.884 -1.974 572 HB ILE 70 HB ILE 70 -12.754 7.767 0.387 573 HG12 ILE 70 HG12 ILE 70 -11.464 5.052 0.038 574 HG13 ILE 70 HG13 ILE 70 -10.628 6.586 0.252 575 HG21 ILE 70 HG21 ILE 70 -14.503 6.641 1.187 576 HG22 ILE 70 HG22 ILE 70 -14.688 5.978 -0.436 577 HG23 ILE 70 HG23 ILE 70 -13.782 5.082 0.783 578 HD11 ILE 70 HD11 ILE 70 -10.570 5.441 2.323 579 HD12 ILE 70 HD12 ILE 70 -11.726 6.762 2.492 580 HD13 ILE 70 HD13 ILE 70 -12.301 5.110 2.263 581 H ARG 71 H ARG 71 -13.398 9.177 -0.768 582 HA ARG 71 HA ARG 71 -16.049 9.286 -1.609 583 HB2 ARG 71 HB2 ARG 71 -15.882 11.712 -1.300 584 HB3 ARG 71 HB3 ARG 71 -15.107 10.847 0.020 585 HG2 ARG 71 HG2 ARG 71 -12.942 11.182 -1.372 586 HG3 ARG 71 HG3 ARG 71 -13.872 12.453 -2.170 587 HD2 ARG 71 HD2 ARG 71 -13.824 12.359 0.808 588 HD3 ARG 71 HD3 ARG 71 -12.404 12.962 -0.045 589 HE ARG 71 HE ARG 71 -14.946 14.271 0.232 590 HH11 ARG 71 HH11 ARG 71 -12.057 14.009 -1.692 591 HH12 ARG 71 HH12 ARG 71 -12.203 15.600 -2.362 592 HH21 ARG 71 HH21 ARG 71 -15.149 16.368 -0.643 593 HH22 ARG 71 HH22 ARG 71 -13.961 16.942 -1.764 594 H ASN 72 H ASN 72 -13.113 9.748 -3.382 595 HA ASN 72 HA ASN 72 -13.936 11.324 -5.504 596 HB2 ASN 72 HB2 ASN 72 -11.810 9.360 -5.026 597 HB3 ASN 72 HB3 ASN 72 -12.281 9.493 -6.717 598 HD21 ASN 72 HD21 ASN 72 -12.179 11.938 -4.165 599 HD22 ASN 72 HD22 ASN 72 -11.054 12.977 -4.965 600 H ASP 73 H ASP 73 -13.572 7.807 -5.864 601 HA ASP 73 HA ASP 73 -15.840 7.835 -7.721 602 HB2 ASP 73 HB2 ASP 73 -13.539 5.931 -7.324 603 HB3 ASP 73 HB3 ASP 73 -14.949 5.496 -8.285 604 H GLY 74 H GLY 74 -16.046 7.842 -4.752 605 HA2 GLY 74 HA2 GLY 74 -17.246 6.801 -3.092 606 HA3 GLY 74 HA3 GLY 74 -18.250 6.216 -4.411 607 H VAL 75 H VAL 75 -14.881 5.476 -3.553 608 HA VAL 75 HA VAL 75 -15.359 2.662 -3.928 609 HB VAL 75 HB VAL 75 -12.868 3.953 -2.817 610 HG11 VAL 75 HG11 VAL 75 -12.412 1.762 -2.532 611 HG12 VAL 75 HG12 VAL 75 -13.620 1.247 -3.710 612 HG13 VAL 75 HG13 VAL 75 -12.048 1.828 -4.255 613 HG21 VAL 75 HG21 VAL 75 -12.442 3.347 -5.501 614 HG22 VAL 75 HG22 VAL 75 -14.017 4.138 -5.461 615 HG23 VAL 75 HG23 VAL 75 -12.605 4.953 -4.790 616 H THR 76 H THR 76 -15.061 1.029 -2.352 617 HA THR 76 HA THR 76 -15.127 1.892 0.451 618 HB THR 76 HB THR 76 -17.100 -0.058 -0.755 619 HG1 THR 76 HG1 THR 76 -17.314 2.616 0.170 620 HG21 THR 76 HG21 THR 76 -17.450 -0.839 1.300 621 HG22 THR 76 HG22 THR 76 -17.746 0.795 1.896 622 HG23 THR 76 HG23 THR 76 -16.107 0.143 1.883 623 H LEU 77 H LEU 77 -13.524 0.884 1.453 624 HA LEU 77 HA LEU 77 -12.291 -1.469 0.388 625 HB2 LEU 77 HB2 LEU 77 -11.822 -0.385 3.142 626 HB3 LEU 77 HB3 LEU 77 -10.700 -1.244 2.089 627 HG LEU 77 HG LEU 77 -11.692 1.572 1.644 628 HD11 LEU 77 HD11 LEU 77 -9.685 0.564 3.395 629 HD12 LEU 77 HD12 LEU 77 -10.136 2.238 3.072 630 HD13 LEU 77 HD13 LEU 77 -8.905 1.451 2.085 631 HD21 LEU 77 HD21 LEU 77 -9.939 1.657 -0.060 632 HD22 LEU 77 HD22 LEU 77 -11.137 0.415 -0.428 633 HD23 LEU 77 HD23 LEU 77 -9.567 -0.042 0.236 634 H SER 78 H SER 78 -12.557 -3.550 0.950 635 HA SER 78 HA SER 78 -14.849 -4.318 2.441 636 HB2 SER 78 HB2 SER 78 -13.748 -5.589 0.513 637 HB3 SER 78 HB3 SER 78 -12.566 -6.148 1.697 638 HG SER 78 HG SER 78 -15.357 -6.451 2.063 639 H ASP 79 H ASP 79 -14.497 -6.210 4.118 640 HA ASP 79 HA ASP 79 -13.603 -5.103 6.483 641 HB2 ASP 79 HB2 ASP 79 -13.942 -7.994 5.681 642 HB3 ASP 79 HB3 ASP 79 -13.549 -7.501 7.326 643 H TYR 80 H TYR 80 -11.944 -7.738 4.737 644 HA TYR 80 HA TYR 80 -9.589 -7.683 6.210 645 HB2 TYR 80 HB2 TYR 80 -8.556 -8.837 4.288 646 HB3 TYR 80 HB3 TYR 80 -10.133 -9.510 4.688 647 HD1 TYR 80 HD1 TYR 80 -12.058 -9.127 3.211 648 HD2 TYR 80 HD2 TYR 80 -8.177 -7.711 2.196 649 HE1 TYR 80 HE1 TYR 80 -12.792 -8.801 0.886 650 HE2 TYR 80 HE2 TYR 80 -8.900 -7.380 -0.131 651 HH TYR 80 HH TYR 80 -12.173 -8.261 -1.182 652 H GLN 81 H GLN 81 -10.538 -5.799 3.387 653 HA GLN 81 HA GLN 81 -8.079 -4.647 2.764 654 HB2 GLN 81 HB2 GLN 81 -10.865 -3.509 2.502 655 HB3 GLN 81 HB3 GLN 81 -9.433 -2.792 1.776 656 HG2 GLN 81 HG2 GLN 81 -9.166 -5.209 0.757 657 HG3 GLN 81 HG3 GLN 81 -10.905 -5.260 1.039 658 HE21 GLN 81 HE21 GLN 81 -10.195 -5.491 -1.475 659 HE22 GLN 81 HE22 GLN 81 -10.465 -4.034 -2.365 660 H SER 82 H SER 82 -10.706 -2.992 4.518 661 HA SER 82 HA SER 82 -9.248 -0.847 5.444 662 HB2 SER 82 HB2 SER 82 -11.738 -1.154 5.631 663 HB3 SER 82 HB3 SER 82 -11.447 -2.218 7.008 664 HG SER 82 HG SER 82 -11.738 0.329 7.132 665 H LYS 83 H LYS 83 -9.450 -4.096 6.754 666 HA LYS 83 HA LYS 83 -8.185 -3.574 9.229 667 HB2 LYS 83 HB2 LYS 83 -8.767 -6.006 7.604 668 HB3 LYS 83 HB3 LYS 83 -7.587 -6.143 8.902 669 HG2 LYS 83 HG2 LYS 83 -9.293 -5.243 10.468 670 HG3 LYS 83 HG3 LYS 83 -10.466 -5.296 9.150 671 HD2 LYS 83 HD2 LYS 83 -10.060 -7.725 8.934 672 HD3 LYS 83 HD3 LYS 83 -8.963 -7.642 10.314 673 HE2 LYS 83 HE2 LYS 83 -11.851 -6.792 10.422 674 HE3 LYS 83 HE3 LYS 83 -11.298 -8.413 10.837 675 HZ1 LYS 83 HZ1 LYS 83 -10.048 -7.577 12.637 676 HZ2 LYS 83 HZ2 LYS 83 -11.566 -6.842 12.748 677 HZ3 LYS 83 HZ3 LYS 83 -10.247 -5.971 12.146 678 H LYS 84 H LYS 84 -6.903 -4.946 6.198 679 HA LYS 84 HA LYS 84 -4.233 -5.127 7.016 680 HB2 LYS 84 HB2 LYS 84 -3.765 -5.723 4.853 681 HB3 LYS 84 HB3 LYS 84 -5.505 -5.980 4.855 682 HG2 LYS 84 HG2 LYS 84 -5.392 -4.760 2.968 683 HG3 LYS 84 HG3 LYS 84 -5.438 -3.408 4.101 684 HD2 LYS 84 HD2 LYS 84 -2.862 -3.637 4.111 685 HD3 LYS 84 HD3 LYS 84 -3.097 -4.562 2.626 686 HE2 LYS 84 HE2 LYS 84 -4.674 -2.321 2.263 687 HE3 LYS 84 HE3 LYS 84 -3.247 -1.693 3.085 688 HZ1 LYS 84 HZ1 LYS 84 -3.207 -1.815 0.556 689 HZ2 LYS 84 HZ2 LYS 84 -3.005 -3.484 0.748 690 HZ3 LYS 84 HZ3 LYS 84 -1.858 -2.414 1.384 691 H LEU 85 H LEU 85 -6.132 -2.400 6.166 692 HA LEU 85 HA LEU 85 -4.082 -0.664 5.278 693 HB2 LEU 85 HB2 LEU 85 -6.596 -0.383 5.038 694 HB3 LEU 85 HB3 LEU 85 -6.589 0.178 6.709 695 HG LEU 85 HG LEU 85 -5.015 1.995 5.997 696 HD11 LEU 85 HD11 LEU 85 -5.626 0.816 3.305 697 HD12 LEU 85 HD12 LEU 85 -4.056 1.194 4.014 698 HD13 LEU 85 HD13 LEU 85 -5.130 2.497 3.503 699 HD21 LEU 85 HD21 LEU 85 -7.333 2.503 6.328 700 HD22 LEU 85 HD22 LEU 85 -7.753 1.853 4.742 701 HD23 LEU 85 HD23 LEU 85 -6.788 3.325 4.866 702 H LYS 86 H LYS 86 -5.305 -1.528 8.447 703 HA LYS 86 HA LYS 86 -3.966 0.544 9.872 704 HB2 LYS 86 HB2 LYS 86 -4.708 -2.092 11.099 705 HB3 LYS 86 HB3 LYS 86 -4.735 -0.489 11.823 706 HG2 LYS 86 HG2 LYS 86 -6.544 -0.221 9.800 707 HG3 LYS 86 HG3 LYS 86 -6.786 -1.898 10.293 708 HD2 LYS 86 HD2 LYS 86 -8.258 -0.655 11.638 709 HD3 LYS 86 HD3 LYS 86 -6.878 -1.007 12.682 710 HE2 LYS 86 HE2 LYS 86 -6.032 1.190 12.459 711 HE3 LYS 86 HE3 LYS 86 -7.114 1.549 11.116 712 HZ1 LYS 86 HZ1 LYS 86 -8.245 2.555 12.782 713 HZ2 LYS 86 HZ2 LYS 86 -7.658 1.520 13.983 714 HZ3 LYS 86 HZ3 LYS 86 -8.903 1.006 12.959 715 H GLU 87 H GLU 87 -2.825 -2.164 8.282 716 HA GLU 87 HA GLU 87 -0.836 -3.156 9.972 717 HB2 GLU 87 HB2 GLU 87 -0.944 -2.957 6.961 718 HB3 GLU 87 HB3 GLU 87 0.319 -3.821 7.829 719 HG2 GLU 87 HG2 GLU 87 -2.605 -4.443 8.129 720 HG3 GLU 87 HG3 GLU 87 -1.561 -5.226 6.945 721 H LEU 88 H LEU 88 -0.009 -1.231 7.113 722 HA LEU 88 HA LEU 88 2.431 -0.328 8.199 723 HB2 LEU 88 HB2 LEU 88 2.248 1.376 6.280 724 HB3 LEU 88 HB3 LEU 88 2.371 -0.338 5.889 725 HG LEU 88 HG LEU 88 0.693 1.156 4.597 726 HD11 LEU 88 HD11 LEU 88 -0.920 -1.076 5.324 727 HD12 LEU 88 HD12 LEU 88 0.769 -1.579 5.289 728 HD13 LEU 88 HD13 LEU 88 0.043 -0.831 3.867 729 HD21 LEU 88 HD21 LEU 88 -0.285 2.071 6.731 730 HD22 LEU 88 HD22 LEU 88 -1.018 0.487 6.982 731 HD23 LEU 88 HD23 LEU 88 -1.451 1.445 5.566 732 H THR 89 H THR 89 -0.700 0.597 8.900 733 HA THR 89 HA THR 89 -0.419 3.390 9.246 734 HB THR 89 HB THR 89 -2.307 1.405 10.516 735 HG1 THR 89 HG1 THR 89 -3.770 2.626 9.075 736 HG21 THR 89 HG21 THR 89 -1.898 4.293 11.042 737 HG22 THR 89 HG22 THR 89 -2.522 3.025 12.098 738 HG23 THR 89 HG23 THR 89 -3.564 3.743 10.869 739 H SER 90 H SER 90 -0.127 0.675 11.526 740 HA SER 90 HA SER 90 0.625 2.370 13.711 741 HB2 SER 90 HB2 SER 90 1.340 -0.003 14.644 742 HB3 SER 90 HB3 SER 90 -0.361 0.440 14.506 743 HG SER 90 HG SER 90 0.217 -1.657 13.615 744 H ILE 91 H ILE 91 2.301 0.554 11.249 745 HA ILE 91 HA ILE 91 4.873 0.626 12.476 746 HB ILE 91 HB ILE 91 4.155 0.280 9.562 747 HG12 ILE 91 HG12 ILE 91 4.860 -1.839 11.597 748 HG13 ILE 91 HG13 ILE 91 3.203 -1.403 11.191 749 HG21 ILE 91 HG21 ILE 91 6.380 -0.712 9.339 750 HG22 ILE 91 HG22 ILE 91 6.471 0.969 9.861 751 HG23 ILE 91 HG23 ILE 91 6.719 -0.329 11.027 752 HD11 ILE 91 HD11 ILE 91 5.046 -3.135 9.812 753 HD12 ILE 91 HD12 ILE 91 3.305 -2.944 9.606 754 HD13 ILE 91 HD13 ILE 91 4.416 -1.881 8.745 755 H SER 92 H SER 92 3.138 2.726 10.253 756 HA SER 92 HA SER 92 5.364 4.384 9.615 757 HB2 SER 92 HB2 SER 92 3.563 5.979 8.814 758 HB3 SER 92 HB3 SER 92 3.528 4.372 8.085 759 HG SER 92 HG SER 92 1.820 5.468 10.044 760 H ASN 93 H ASN 93 6.119 6.194 10.574 761 HA ASN 93 HA ASN 93 5.334 6.711 13.285 762 HB2 ASN 93 HB2 ASN 93 7.405 7.874 11.440 763 HB3 ASN 93 HB3 ASN 93 7.076 8.603 13.009 764 HD21 ASN 93 HD21 ASN 93 9.429 7.156 11.855 765 HD22 ASN 93 HD22 ASN 93 9.795 5.929 13.015 766 H ILE 94 H ILE 94 4.688 8.113 10.176 767 HA ILE 94 HA ILE 94 3.672 10.596 11.230 768 HB ILE 94 HB ILE 94 3.258 9.483 8.457 769 HG12 ILE 94 HG12 ILE 94 5.253 11.354 8.246 770 HG13 ILE 94 HG13 ILE 94 5.657 10.563 9.767 771 HG21 ILE 94 HG21 ILE 94 2.703 12.044 9.798 772 HG22 ILE 94 HG22 ILE 94 3.421 12.161 8.192 773 HG23 ILE 94 HG23 ILE 94 1.907 11.286 8.419 774 HD11 ILE 94 HD11 ILE 94 5.844 9.580 7.022 775 HD12 ILE 94 HD12 ILE 94 6.747 9.116 8.464 776 HD13 ILE 94 HD13 ILE 94 5.150 8.430 8.164 777 H ARG 95 H ARG 95 2.226 9.330 12.748 778 HA ARG 95 HA ARG 95 -0.216 8.350 11.479 779 HB2 ARG 95 HB2 ARG 95 -0.829 7.534 13.689 780 HB3 ARG 95 HB3 ARG 95 0.793 6.999 13.272 781 HG2 ARG 95 HG2 ARG 95 1.175 7.668 15.401 782 HG3 ARG 95 HG3 ARG 95 1.452 9.206 14.582 783 HD2 ARG 95 HD2 ARG 95 -0.493 10.122 15.346 784 HD3 ARG 95 HD3 ARG 95 -1.322 8.568 15.421 785 HE ARG 95 HE ARG 95 0.631 8.477 17.363 786 HH11 ARG 95 HH11 ARG 95 -2.143 10.455 16.646 787 HH12 ARG 95 HH12 ARG 95 -2.466 10.834 18.306 788 HH21 ARG 95 HH21 ARG 95 0.218 8.969 19.552 789 HH22 ARG 95 HH22 ARG 95 -1.121 9.989 19.958 790 H TYR 96 H TYR 96 1.012 11.056 13.259 791 HA TYR 96 HA TYR 96 -1.470 12.102 14.154 792 HB2 TYR 96 HB2 TYR 96 -0.254 14.100 14.685 793 HB3 TYR 96 HB3 TYR 96 0.786 12.730 15.060 794 HD1 TYR 96 HD1 TYR 96 2.718 12.209 13.614 795 HD2 TYR 96 HD2 TYR 96 0.329 15.672 12.974 796 HE1 TYR 96 HE1 TYR 96 4.490 13.163 12.200 797 HE2 TYR 96 HE2 TYR 96 2.094 16.634 11.557 798 HH TYR 96 HH TYR 96 5.137 14.892 10.974 799 H GLY 97 H GLY 97 0.370 12.405 11.184 800 HA2 GLY 97 HA2 GLY 97 -0.791 14.631 10.027 801 HA3 GLY 97 HA3 GLY 97 -0.226 13.233 9.126 802 H TYR 98 H TYR 98 -2.093 11.372 10.292 803 HA TYR 98 HA TYR 98 -4.255 11.734 8.504 804 HB2 TYR 98 HB2 TYR 98 -3.260 9.554 9.546 805 HB3 TYR 98 HB3 TYR 98 -4.407 9.865 10.845 806 HD1 TYR 98 HD1 TYR 98 -4.104 9.180 7.223 807 HD2 TYR 98 HD2 TYR 98 -6.722 9.417 10.569 808 HE1 TYR 98 HE1 TYR 98 -5.880 8.109 5.902 809 HE2 TYR 98 HE2 TYR 98 -8.505 8.345 9.257 810 HH TYR 98 HH TYR 98 -9.034 7.348 7.338 Start of MODEL 2 1 H1 MET 1 H MET 1 -0.798 -26.450 -4.487 2 HA MET 1 HA MET 1 -1.219 -27.589 -1.847 3 HB2 MET 1 HB2 MET 1 1.216 -27.222 -1.568 4 HB3 MET 1 HB3 MET 1 0.829 -28.184 -2.988 5 HG2 MET 1 HG2 MET 1 1.344 -26.446 -4.453 6 HG3 MET 1 HG3 MET 1 1.257 -25.229 -3.182 7 HE1 MET 1 HE1 MET 1 4.244 -24.185 -3.020 8 HE2 MET 1 HE2 MET 1 2.765 -24.345 -2.073 9 HE3 MET 1 HE3 MET 1 4.279 -25.008 -1.460 10 H GLY 2 H GLY 2 0.221 -26.242 -0.114 11 HA2 GLY 2 HA2 GLY 2 0.554 -24.219 1.003 12 HA3 GLY 2 HA3 GLY 2 -0.282 -23.388 -0.301 13 H LYS 3 H LYS 3 -0.859 -22.574 2.171 14 HA LYS 3 HA LYS 3 -3.563 -23.648 2.606 15 HB2 LYS 3 HB2 LYS 3 -1.516 -22.932 4.708 16 HB3 LYS 3 HB3 LYS 3 -3.224 -23.156 5.059 17 HG2 LYS 3 HG2 LYS 3 -1.622 -25.295 3.708 18 HG3 LYS 3 HG3 LYS 3 -1.635 -25.119 5.464 19 HD2 LYS 3 HD2 LYS 3 -4.222 -25.216 3.972 20 HD3 LYS 3 HD3 LYS 3 -3.340 -26.714 4.285 21 HE2 LYS 3 HE2 LYS 3 -3.845 -24.785 6.512 22 HE3 LYS 3 HE3 LYS 3 -5.131 -25.867 5.982 23 HZ1 LYS 3 HZ1 LYS 3 -2.630 -26.485 7.352 24 HZ2 LYS 3 HZ2 LYS 3 -3.184 -27.614 6.221 25 HZ3 LYS 3 HZ3 LYS 3 -4.162 -27.181 7.532 26 H LEU 4 H LEU 4 -4.922 -22.080 3.918 27 HA LEU 4 HA LEU 4 -4.510 -19.398 2.823 28 HB2 LEU 4 HB2 LEU 4 -6.879 -20.934 3.783 29 HB3 LEU 4 HB3 LEU 4 -6.935 -19.173 3.798 30 HG LEU 4 HG LEU 4 -7.989 -20.141 1.798 31 HD11 LEU 4 HD11 LEU 4 -5.631 -18.868 0.609 32 HD12 LEU 4 HD12 LEU 4 -6.360 -17.976 1.945 33 HD13 LEU 4 HD13 LEU 4 -7.333 -18.408 0.538 34 HD21 LEU 4 HD21 LEU 4 -6.726 -21.302 0.139 35 HD22 LEU 4 HD22 LEU 4 -6.469 -22.125 1.679 36 HD23 LEU 4 HD23 LEU 4 -5.224 -21.057 1.030 37 H LYS 5 H LYS 5 -2.936 -18.689 4.312 38 HA LYS 5 HA LYS 5 -4.070 -17.908 6.903 39 HB2 LYS 5 HB2 LYS 5 -1.986 -18.444 8.050 40 HB3 LYS 5 HB3 LYS 5 -2.655 -19.882 7.291 41 HG2 LYS 5 HG2 LYS 5 -1.058 -19.758 5.508 42 HG3 LYS 5 HG3 LYS 5 -0.462 -18.203 6.094 43 HD2 LYS 5 HD2 LYS 5 1.109 -19.771 6.854 44 HD3 LYS 5 HD3 LYS 5 0.099 -19.434 8.262 45 HE2 LYS 5 HE2 LYS 5 -0.644 -21.693 6.467 46 HE3 LYS 5 HE3 LYS 5 0.712 -21.902 7.575 47 HZ1 LYS 5 HZ1 LYS 5 -2.099 -21.851 8.124 48 HZ2 LYS 5 HZ2 LYS 5 -1.232 -20.797 9.124 49 HZ3 LYS 5 HZ3 LYS 5 -0.826 -22.438 9.072 50 H TRP 6 H TRP 6 -3.132 -16.019 7.829 51 HA TRP 6 HA TRP 6 -2.293 -14.110 5.850 52 HB2 TRP 6 HB2 TRP 6 -3.104 -14.024 8.710 53 HB3 TRP 6 HB3 TRP 6 -2.082 -12.713 8.126 54 HD1 TRP 6 HD1 TRP 6 -4.668 -14.228 5.772 55 HE1 TRP 6 HE1 TRP 6 -6.511 -12.487 5.329 56 HE3 TRP 6 HE3 TRP 6 -3.282 -10.692 9.193 57 HZ2 TRP 6 HZ2 TRP 6 -7.275 -9.950 6.301 58 HZ3 TRP 6 HZ3 TRP 6 -4.622 -8.636 9.374 59 HH2 TRP 6 HH2 TRP 6 -6.578 -8.275 7.956 60 H PHE 7 H PHE 7 -0.471 -12.531 6.551 61 HA PHE 7 HA PHE 7 1.919 -14.154 6.892 62 HB2 PHE 7 HB2 PHE 7 1.445 -11.307 6.026 63 HB3 PHE 7 HB3 PHE 7 3.061 -11.916 6.370 64 HD1 PHE 7 HD1 PHE 7 0.155 -12.197 4.141 65 HD2 PHE 7 HD2 PHE 7 4.176 -13.391 4.864 66 HE1 PHE 7 HE1 PHE 7 0.298 -13.088 1.852 67 HE2 PHE 7 HE2 PHE 7 4.327 -14.283 2.576 68 HZ PHE 7 HZ PHE 7 2.387 -14.131 1.067 69 H SER 8 H SER 8 0.794 -14.291 9.230 70 HA SER 8 HA SER 8 1.279 -12.141 11.016 71 HB2 SER 8 HB2 SER 8 -0.229 -14.314 11.234 72 HB3 SER 8 HB3 SER 8 1.218 -14.957 12.010 73 HG SER 8 HG SER 8 -0.436 -13.798 13.350 74 H GLY 9 H GLY 9 3.395 -11.435 10.809 75 HA2 GLY 9 HA2 GLY 9 5.361 -11.896 12.405 76 HA3 GLY 9 HA3 GLY 9 5.509 -13.376 11.469 77 H GLY 10 H GLY 10 7.674 -12.663 10.967 78 HA2 GLY 10 HA2 GLY 10 8.762 -12.095 8.861 79 HA3 GLY 10 HA3 GLY 10 7.673 -10.719 8.744 80 H LYS 11 H LYS 11 10.752 -11.298 9.060 81 HA LYS 11 HA LYS 11 11.424 -9.748 11.391 82 HB2 LYS 11 HB2 LYS 11 12.823 -11.621 10.381 83 HB3 LYS 11 HB3 LYS 11 13.267 -10.481 9.118 84 HG2 LYS 11 HG2 LYS 11 14.145 -8.966 10.887 85 HG3 LYS 11 HG3 LYS 11 13.837 -10.246 12.063 86 HD2 LYS 11 HD2 LYS 11 15.446 -11.662 11.104 87 HD3 LYS 11 HD3 LYS 11 15.512 -10.718 9.613 88 HE2 LYS 11 HE2 LYS 11 16.755 -9.015 10.604 89 HE3 LYS 11 HE3 LYS 11 16.298 -9.502 12.236 90 HZ1 LYS 11 HZ1 LYS 11 17.662 -11.611 10.942 91 HZ2 LYS 11 HZ2 LYS 11 18.080 -10.786 12.357 92 HZ3 LYS 11 HZ3 LYS 11 18.592 -10.201 10.856 93 H GLU 12 H GLU 12 11.816 -9.255 7.879 94 HA GLU 12 HA GLU 12 12.661 -6.564 8.112 95 HB2 GLU 12 HB2 GLU 12 11.544 -8.159 5.811 96 HB3 GLU 12 HB3 GLU 12 12.032 -6.478 5.644 97 HG2 GLU 12 HG2 GLU 12 13.927 -8.511 6.743 98 HG3 GLU 12 HG3 GLU 12 13.692 -8.340 5.004 99 H ARG 13 H ARG 13 11.416 -5.054 9.016 100 HA ARG 13 HA ARG 13 8.563 -5.136 8.959 101 HB2 ARG 13 HB2 ARG 13 10.639 -3.318 10.060 102 HB3 ARG 13 HB3 ARG 13 9.042 -2.636 9.789 103 HG2 ARG 13 HG2 ARG 13 9.283 -3.432 12.071 104 HG3 ARG 13 HG3 ARG 13 8.055 -4.356 11.204 105 HD2 ARG 13 HD2 ARG 13 9.783 -6.098 10.759 106 HD3 ARG 13 HD3 ARG 13 10.887 -5.198 11.797 107 HE ARG 13 HE ARG 13 8.727 -6.886 12.627 108 HH11 ARG 13 HH11 ARG 13 10.680 -4.140 13.500 109 HH12 ARG 13 HH12 ARG 13 10.432 -4.341 15.203 110 HH21 ARG 13 HH21 ARG 13 8.392 -7.160 14.867 111 HH22 ARG 13 HH22 ARG 13 9.131 -6.059 15.980 112 H SER 14 H SER 14 11.042 -3.454 7.132 113 HA SER 14 HA SER 14 9.318 -1.610 5.839 114 HB2 SER 14 HB2 SER 14 12.104 -2.601 5.343 115 HB3 SER 14 HB3 SER 14 11.296 -1.625 4.117 116 HG SER 14 HG SER 14 11.946 -0.926 6.776 117 H ASN 15 H ASN 15 10.641 -4.760 4.870 118 HA ASN 15 HA ASN 15 9.342 -4.792 2.337 119 HB2 ASN 15 HB2 ASN 15 10.795 -6.816 4.003 120 HB3 ASN 15 HB3 ASN 15 9.864 -7.352 2.607 121 HD21 ASN 15 HD21 ASN 15 12.139 -4.747 3.418 122 HD22 ASN 15 HD22 ASN 15 13.092 -4.907 1.986 123 H GLN 16 H GLN 16 8.322 -5.468 5.536 124 HA GLN 16 HA GLN 16 6.326 -7.377 5.106 125 HB2 GLN 16 HB2 GLN 16 7.139 -6.652 7.335 126 HB3 GLN 16 HB3 GLN 16 6.302 -5.121 7.118 127 HG2 GLN 16 HG2 GLN 16 4.587 -6.074 8.151 128 HG3 GLN 16 HG3 GLN 16 4.328 -6.974 6.657 129 HE21 GLN 16 HE21 GLN 16 5.450 -7.096 9.918 130 HE22 GLN 16 HE22 GLN 16 5.656 -8.809 10.008 131 H ALA 17 H ALA 17 6.017 -3.827 5.256 132 HA ALA 17 HA ALA 17 3.321 -3.625 4.663 133 HB1 ALA 17 HB1 ALA 17 5.472 -1.711 3.771 134 HB2 ALA 17 HB2 ALA 17 3.759 -1.351 3.992 135 HB3 ALA 17 HB3 ALA 17 4.764 -1.752 5.386 136 H GLU 18 H GLU 18 6.073 -3.705 2.414 137 HA GLU 18 HA GLU 18 4.705 -3.333 0.033 138 HB2 GLU 18 HB2 GLU 18 7.093 -3.323 0.026 139 HB3 GLU 18 HB3 GLU 18 7.165 -4.965 0.650 140 HG2 GLU 18 HG2 GLU 18 5.682 -4.898 -1.807 141 HG3 GLU 18 HG3 GLU 18 7.263 -4.146 -2.017 142 H ASN 19 H ASN 19 5.428 -6.394 1.696 143 HA ASN 19 HA ASN 19 4.233 -8.115 -0.143 144 HB2 ASN 19 HB2 ASN 19 4.554 -8.381 2.852 145 HB3 ASN 19 HB3 ASN 19 4.025 -9.692 1.802 146 HD21 ASN 19 HD21 ASN 19 6.545 -8.815 3.464 147 HD22 ASN 19 HD22 ASN 19 7.841 -9.298 2.429 148 H ILE 20 H ILE 20 2.843 -6.312 2.548 149 HA ILE 20 HA ILE 20 0.301 -7.508 2.553 150 HB ILE 20 HB ILE 20 1.058 -4.685 3.316 151 HG12 ILE 20 HG12 ILE 20 0.576 -6.999 5.179 152 HG13 ILE 20 HG13 ILE 20 2.167 -6.696 4.491 153 HG21 ILE 20 HG21 ILE 20 -1.407 -6.287 3.984 154 HG22 ILE 20 HG22 ILE 20 -1.005 -4.700 4.639 155 HG23 ILE 20 HG23 ILE 20 -1.332 -4.886 2.916 156 HD11 ILE 20 HD11 ILE 20 1.216 -5.654 6.825 157 HD12 ILE 20 HD12 ILE 20 2.565 -5.011 5.890 158 HD13 ILE 20 HD13 ILE 20 0.950 -4.334 5.686 159 H ILE 21 H ILE 21 1.368 -4.460 1.038 160 HA ILE 21 HA ILE 21 -0.971 -3.728 -0.208 161 HB ILE 21 HB ILE 21 1.820 -3.439 -1.327 162 HG12 ILE 21 HG12 ILE 21 0.201 -1.453 0.275 163 HG13 ILE 21 HG13 ILE 21 1.413 -2.514 0.983 164 HG21 ILE 21 HG21 ILE 21 -0.746 -2.007 -1.996 165 HG22 ILE 21 HG22 ILE 21 0.853 -1.495 -2.535 166 HG23 ILE 21 HG23 ILE 21 0.202 -3.049 -3.059 167 HD11 ILE 21 HD11 ILE 21 2.219 -0.222 0.524 168 HD12 ILE 21 HD12 ILE 21 3.148 -1.478 -0.297 169 HD13 ILE 21 HD13 ILE 21 1.971 -0.520 -1.197 170 H THR 22 H THR 22 1.502 -5.977 -1.382 171 HA THR 22 HA THR 22 0.446 -6.455 -3.923 172 HB THR 22 HB THR 22 1.880 -8.494 -2.215 173 HG1 THR 22 HG1 THR 22 3.210 -6.835 -4.053 174 HG21 THR 22 HG21 THR 22 2.756 -8.787 -4.782 175 HG22 THR 22 HG22 THR 22 1.068 -8.338 -5.031 176 HG23 THR 22 HG23 THR 22 1.471 -9.742 -4.043 177 H ASP 23 H ASP 23 -0.405 -7.785 -0.791 178 HA ASP 23 HA ASP 23 -1.885 -10.003 -1.531 179 HB2 ASP 23 HB2 ASP 23 -1.320 -9.233 0.816 180 HB3 ASP 23 HB3 ASP 23 -2.674 -8.114 0.689 181 H LEU 24 H LEU 24 -3.309 -6.828 -0.738 182 HA LEU 24 HA LEU 24 -5.862 -7.285 -1.628 183 HB2 LEU 24 HB2 LEU 24 -4.211 -4.774 -1.666 184 HB3 LEU 24 HB3 LEU 24 -5.915 -4.794 -2.114 185 HG LEU 24 HG LEU 24 -4.764 -5.490 0.588 186 HD11 LEU 24 HD11 LEU 24 -4.695 -3.176 0.444 187 HD12 LEU 24 HD12 LEU 24 -6.263 -3.482 1.189 188 HD13 LEU 24 HD13 LEU 24 -6.165 -3.091 -0.527 189 HD21 LEU 24 HD21 LEU 24 -7.166 -5.559 1.268 190 HD22 LEU 24 HD22 LEU 24 -6.670 -6.879 0.209 191 HD23 LEU 24 HD23 LEU 24 -7.596 -5.525 -0.442 192 H LEU 25 H LEU 25 -3.064 -6.252 -3.528 193 HA LEU 25 HA LEU 25 -4.336 -5.730 -5.946 194 HB2 LEU 25 HB2 LEU 25 -1.612 -6.393 -5.074 195 HB3 LEU 25 HB3 LEU 25 -1.967 -6.793 -6.754 196 HG LEU 25 HG LEU 25 -0.895 -4.566 -6.414 197 HD11 LEU 25 HD11 LEU 25 -1.872 -4.560 -8.452 198 HD12 LEU 25 HD12 LEU 25 -2.920 -3.368 -7.684 199 HD13 LEU 25 HD13 LEU 25 -3.447 -5.046 -7.824 200 HD21 LEU 25 HD21 LEU 25 -2.083 -4.045 -4.292 201 HD22 LEU 25 HD22 LEU 25 -3.557 -3.793 -5.227 202 HD23 LEU 25 HD23 LEU 25 -2.157 -2.750 -5.486 203 H ASP 26 H ASP 26 -3.155 -8.786 -4.617 204 HA ASP 26 HA ASP 26 -3.609 -10.381 -6.884 205 HB2 ASP 26 HB2 ASP 26 -2.386 -10.893 -4.615 206 HB3 ASP 26 HB3 ASP 26 -3.971 -11.486 -4.124 207 H ASP 27 H ASP 27 -5.634 -10.011 -3.969 208 HA ASP 27 HA ASP 27 -7.814 -11.487 -4.926 209 HB2 ASP 27 HB2 ASP 27 -7.392 -9.502 -2.747 210 HB3 ASP 27 HB3 ASP 27 -9.054 -9.852 -3.216 211 H LEU 28 H LEU 28 -6.848 -8.188 -5.465 212 HA LEU 28 HA LEU 28 -9.347 -7.245 -6.445 213 HB2 LEU 28 HB2 LEU 28 -6.595 -6.258 -6.249 214 HB3 LEU 28 HB3 LEU 28 -7.485 -5.647 -7.642 215 HG LEU 28 HG LEU 28 -8.340 -5.385 -4.759 216 HD11 LEU 28 HD11 LEU 28 -7.567 -3.217 -4.770 217 HD12 LEU 28 HD12 LEU 28 -7.562 -3.113 -6.531 218 HD13 LEU 28 HD13 LEU 28 -6.315 -4.043 -5.700 219 HD21 LEU 28 HD21 LEU 28 -9.611 -3.627 -6.658 220 HD22 LEU 28 HD22 LEU 28 -10.335 -4.724 -5.483 221 HD23 LEU 28 HD23 LEU 28 -9.882 -5.319 -7.081 222 H LYS 29 H LYS 29 -6.565 -8.805 -7.902 223 HA LYS 29 HA LYS 29 -6.920 -8.315 -10.575 224 HB2 LYS 29 HB2 LYS 29 -5.055 -9.625 -9.761 225 HB3 LYS 29 HB3 LYS 29 -6.137 -10.908 -9.235 226 HG2 LYS 29 HG2 LYS 29 -6.794 -11.215 -11.631 227 HG3 LYS 29 HG3 LYS 29 -5.507 -10.085 -12.058 228 HD2 LYS 29 HD2 LYS 29 -4.897 -12.448 -10.331 229 HD3 LYS 29 HD3 LYS 29 -5.050 -12.655 -12.077 230 HE2 LYS 29 HE2 LYS 29 -3.211 -10.681 -10.729 231 HE3 LYS 29 HE3 LYS 29 -2.719 -12.264 -11.328 232 HZ1 LYS 29 HZ1 LYS 29 -2.386 -11.327 -13.291 233 HZ2 LYS 29 HZ2 LYS 29 -2.995 -9.844 -12.753 234 HZ3 LYS 29 HZ3 LYS 29 -4.042 -10.999 -13.410 235 H THR 30 H THR 30 -8.496 -10.882 -8.679 236 HA THR 30 HA THR 30 -10.201 -11.598 -10.903 237 HB THR 30 HB THR 30 -11.149 -13.280 -9.426 238 HG1 THR 30 HG1 THR 30 -9.430 -12.491 -7.336 239 HG21 THR 30 HG21 THR 30 -9.172 -14.051 -10.426 240 HG22 THR 30 HG22 THR 30 -8.956 -14.414 -8.713 241 HG23 THR 30 HG23 THR 30 -8.157 -13.014 -9.425 242 H ASP 31 H ASP 31 -10.276 -9.358 -8.357 243 HA ASP 31 HA ASP 31 -13.088 -9.285 -7.899 244 HB2 ASP 31 HB2 ASP 31 -11.123 -8.334 -6.459 245 HB3 ASP 31 HB3 ASP 31 -11.310 -6.908 -7.476 246 H LEU 32 H LEU 32 -14.267 -7.103 -8.276 247 HA LEU 32 HA LEU 32 -13.708 -6.135 -10.998 248 HB2 LEU 32 HB2 LEU 32 -16.316 -7.071 -9.839 249 HB3 LEU 32 HB3 LEU 32 -16.250 -5.986 -11.227 250 HG LEU 32 HG LEU 32 -14.705 -7.887 -12.209 251 HD11 LEU 32 HD11 LEU 32 -14.504 -9.555 -10.712 252 HD12 LEU 32 HD12 LEU 32 -16.072 -10.045 -11.352 253 HD13 LEU 32 HD13 LEU 32 -15.982 -9.113 -9.857 254 HD21 LEU 32 HD21 LEU 32 -16.707 -8.889 -13.224 255 HD22 LEU 32 HD22 LEU 32 -16.775 -7.127 -13.214 256 HD23 LEU 32 HD23 LEU 32 -17.712 -8.052 -12.041 257 H ASP 33 H ASP 33 -12.848 -4.806 -8.748 258 HA ASP 33 HA ASP 33 -14.362 -2.335 -8.976 259 HB2 ASP 33 HB2 ASP 33 -14.404 -4.024 -6.597 260 HB3 ASP 33 HB3 ASP 33 -13.840 -2.391 -6.254 261 H ASN 34 H ASN 34 -13.188 -0.472 -8.170 262 HA ASN 34 HA ASN 34 -11.308 0.817 -8.163 263 HB2 ASN 34 HB2 ASN 34 -10.518 -1.504 -6.415 264 HB3 ASN 34 HB3 ASN 34 -9.419 -0.157 -6.702 265 HD21 ASN 34 HD21 ASN 34 -10.025 -0.535 -4.191 266 HD22 ASN 34 HD22 ASN 34 -11.170 0.621 -3.611 267 H GLU 35 H GLU 35 -11.446 -0.180 -10.550 268 HA GLU 35 HA GLU 35 -9.273 -1.868 -11.312 269 HB2 GLU 35 HB2 GLU 35 -11.341 -0.271 -12.758 270 HB3 GLU 35 HB3 GLU 35 -9.932 -0.825 -13.650 271 HG2 GLU 35 HG2 GLU 35 -11.370 -2.550 -14.029 272 HG3 GLU 35 HG3 GLU 35 -10.543 -3.136 -12.587 273 H SER 36 H SER 36 -9.804 1.602 -11.180 274 HA SER 36 HA SER 36 -7.157 2.097 -12.326 275 HB2 SER 36 HB2 SER 36 -7.892 4.513 -12.228 276 HB3 SER 36 HB3 SER 36 -8.868 3.481 -13.274 277 HG SER 36 HG SER 36 -10.420 4.369 -12.129 278 H LEU 37 H LEU 37 -8.854 2.089 -9.323 279 HA LEU 37 HA LEU 37 -7.322 3.864 -7.812 280 HB2 LEU 37 HB2 LEU 37 -9.445 2.266 -7.315 281 HB3 LEU 37 HB3 LEU 37 -8.176 1.388 -6.464 282 HG LEU 37 HG LEU 37 -9.243 2.788 -4.876 283 HD11 LEU 37 HD11 LEU 37 -6.847 4.436 -5.552 284 HD12 LEU 37 HD12 LEU 37 -6.651 2.747 -5.086 285 HD13 LEU 37 HD13 LEU 37 -7.425 3.882 -3.981 286 HD21 LEU 37 HD21 LEU 37 -9.918 4.387 -6.953 287 HD22 LEU 37 HD22 LEU 37 -8.651 5.351 -6.192 288 HD23 LEU 37 HD23 LEU 37 -10.061 4.849 -5.257 289 H LYS 38 H LYS 38 -6.679 0.587 -8.839 290 HA LYS 38 HA LYS 38 -4.675 -0.190 -7.113 291 HB2 LYS 38 HB2 LYS 38 -4.828 -0.664 -10.097 292 HB3 LYS 38 HB3 LYS 38 -3.800 -1.558 -8.983 293 HG2 LYS 38 HG2 LYS 38 -5.518 -2.778 -8.155 294 HG3 LYS 38 HG3 LYS 38 -6.690 -1.475 -8.360 295 HD2 LYS 38 HD2 LYS 38 -6.960 -1.937 -10.652 296 HD3 LYS 38 HD3 LYS 38 -5.502 -2.931 -10.706 297 HE2 LYS 38 HE2 LYS 38 -6.539 -4.741 -9.754 298 HE3 LYS 38 HE3 LYS 38 -7.712 -3.751 -8.889 299 HZ1 LYS 38 HZ1 LYS 38 -9.127 -3.773 -10.614 300 HZ2 LYS 38 HZ2 LYS 38 -8.275 -5.156 -11.087 301 HZ3 LYS 38 HZ3 LYS 38 -7.904 -3.657 -11.778 302 H LYS 39 H LYS 39 -4.593 2.237 -9.589 303 HA LYS 39 HA LYS 39 -1.893 2.449 -10.139 304 HB2 LYS 39 HB2 LYS 39 -2.322 4.650 -10.880 305 HB3 LYS 39 HB3 LYS 39 -3.825 3.774 -11.141 306 HG2 LYS 39 HG2 LYS 39 -4.769 4.741 -9.129 307 HG3 LYS 39 HG3 LYS 39 -3.249 5.573 -8.795 308 HD2 LYS 39 HD2 LYS 39 -4.492 7.237 -9.807 309 HD3 LYS 39 HD3 LYS 39 -3.588 6.578 -11.173 310 HE2 LYS 39 HE2 LYS 39 -5.826 6.816 -11.905 311 HE3 LYS 39 HE3 LYS 39 -5.578 5.095 -11.619 312 HZ1 LYS 39 HZ1 LYS 39 -7.269 6.990 -10.195 313 HZ2 LYS 39 HZ2 LYS 39 -6.492 5.822 -9.250 314 HZ3 LYS 39 HZ3 LYS 39 -7.513 5.346 -10.511 315 H VAL 40 H VAL 40 -3.686 3.572 -7.331 316 HA VAL 40 HA VAL 40 -1.604 5.132 -6.204 317 HB VAL 40 HB VAL 40 -4.056 3.863 -5.000 318 HG11 VAL 40 HG11 VAL 40 -2.009 5.615 -3.646 319 HG12 VAL 40 HG12 VAL 40 -3.592 5.208 -2.978 320 HG13 VAL 40 HG13 VAL 40 -2.395 3.940 -3.251 321 HG21 VAL 40 HG21 VAL 40 -3.647 6.779 -5.008 322 HG22 VAL 40 HG22 VAL 40 -3.848 6.032 -6.593 323 HG23 VAL 40 HG23 VAL 40 -5.094 5.834 -5.361 324 H LEU 41 H LEU 41 -2.905 2.040 -4.989 325 HA LEU 41 HA LEU 41 -0.852 1.439 -3.247 326 HB2 LEU 41 HB2 LEU 41 -2.504 -0.485 -4.879 327 HB3 LEU 41 HB3 LEU 41 -1.557 -0.908 -3.453 328 HG LEU 41 HG LEU 41 -3.549 1.216 -3.037 329 HD11 LEU 41 HD11 LEU 41 -4.474 -0.711 -4.640 330 HD12 LEU 41 HD12 LEU 41 -5.459 0.059 -3.397 331 HD13 LEU 41 HD13 LEU 41 -4.704 -1.504 -3.081 332 HD21 LEU 41 HD21 LEU 41 -2.706 -1.292 -1.598 333 HD22 LEU 41 HD22 LEU 41 -3.988 -0.223 -1.029 334 HD23 LEU 41 HD23 LEU 41 -2.335 0.378 -1.169 335 H GLU 42 H GLU 42 -1.158 0.498 -6.663 336 HA GLU 42 HA GLU 42 1.173 -1.016 -6.862 337 HB2 GLU 42 HB2 GLU 42 -0.351 0.619 -8.880 338 HB3 GLU 42 HB3 GLU 42 1.087 -0.292 -9.323 339 HG2 GLU 42 HG2 GLU 42 -0.298 -2.213 -8.060 340 HG3 GLU 42 HG3 GLU 42 -1.626 -1.229 -8.671 341 H ASN 43 H ASN 43 0.746 2.374 -7.899 342 HA ASN 43 HA ASN 43 3.367 2.968 -8.481 343 HB2 ASN 43 HB2 ASN 43 1.375 4.454 -8.853 344 HB3 ASN 43 HB3 ASN 43 1.444 4.882 -7.146 345 HD21 ASN 43 HD21 ASN 43 1.999 6.208 -9.902 346 HD22 ASN 43 HD22 ASN 43 3.454 7.093 -9.607 347 H TYR 44 H TYR 44 1.774 3.771 -5.388 348 HA TYR 44 HA TYR 44 4.007 4.586 -3.994 349 HB2 TYR 44 HB2 TYR 44 1.423 3.325 -3.144 350 HB3 TYR 44 HB3 TYR 44 2.679 3.633 -1.950 351 HD1 TYR 44 HD1 TYR 44 3.758 6.149 -2.376 352 HD2 TYR 44 HD2 TYR 44 -0.235 4.916 -3.174 353 HE1 TYR 44 HE1 TYR 44 3.005 8.482 -2.181 354 HE2 TYR 44 HE2 TYR 44 -1.000 7.245 -2.982 355 HH TYR 44 HH TYR 44 0.546 9.723 -3.327 356 H LEU 45 H LEU 45 2.699 1.300 -4.289 357 HA LEU 45 HA LEU 45 4.414 -0.037 -2.581 358 HB2 LEU 45 HB2 LEU 45 2.529 -1.141 -3.573 359 HB3 LEU 45 HB3 LEU 45 3.202 -0.934 -5.189 360 HG LEU 45 HG LEU 45 5.105 -2.441 -4.419 361 HD11 LEU 45 HD11 LEU 45 5.114 -2.792 -2.205 362 HD12 LEU 45 HD12 LEU 45 3.915 -4.030 -2.572 363 HD13 LEU 45 HD13 LEU 45 3.395 -2.432 -2.034 364 HD21 LEU 45 HD21 LEU 45 4.031 -4.233 -5.312 365 HD22 LEU 45 HD22 LEU 45 2.864 -2.982 -5.745 366 HD23 LEU 45 HD23 LEU 45 2.585 -3.999 -4.330 367 H GLU 46 H GLU 46 4.922 0.928 -5.940 368 HA GLU 46 HA GLU 46 7.378 -0.412 -6.311 369 HB2 GLU 46 HB2 GLU 46 5.681 1.184 -7.861 370 HB3 GLU 46 HB3 GLU 46 7.207 2.054 -7.818 371 HG2 GLU 46 HG2 GLU 46 8.243 -0.245 -8.419 372 HG3 GLU 46 HG3 GLU 46 6.604 -0.648 -8.928 373 H GLU 47 H GLU 47 6.546 2.732 -4.990 374 HA GLU 47 HA GLU 47 9.037 3.958 -4.996 375 HB2 GLU 47 HB2 GLU 47 6.936 4.168 -2.833 376 HB3 GLU 47 HB3 GLU 47 8.213 5.331 -3.162 377 HG2 GLU 47 HG2 GLU 47 6.228 4.631 -5.280 378 HG3 GLU 47 HG3 GLU 47 5.820 5.789 -4.016 379 H LEU 48 H LEU 48 7.663 1.652 -2.702 380 HA LEU 48 HA LEU 48 9.546 1.770 -0.681 381 HB2 LEU 48 HB2 LEU 48 7.985 -0.557 -1.773 382 HB3 LEU 48 HB3 LEU 48 8.995 -0.674 -0.333 383 HG LEU 48 HG LEU 48 7.069 1.517 -0.217 384 HD11 LEU 48 HD11 LEU 48 5.098 0.428 -0.393 385 HD12 LEU 48 HD12 LEU 48 5.772 -1.111 0.142 386 HD13 LEU 48 HD13 LEU 48 6.016 -0.572 -1.519 387 HD21 LEU 48 HD21 LEU 48 8.527 0.474 1.614 388 HD22 LEU 48 HD22 LEU 48 7.339 -0.829 1.633 389 HD23 LEU 48 HD23 LEU 48 6.842 0.823 2.002 390 H LYS 49 H LYS 49 9.662 -0.035 -3.721 391 HA LYS 49 HA LYS 49 12.132 -1.336 -3.155 392 HB2 LYS 49 HB2 LYS 49 10.700 -0.831 -5.770 393 HB3 LYS 49 HB3 LYS 49 12.126 -1.846 -5.602 394 HG2 LYS 49 HG2 LYS 49 10.474 -3.419 -5.529 395 HG3 LYS 49 HG3 LYS 49 10.664 -3.073 -3.808 396 HD2 LYS 49 HD2 LYS 49 8.616 -2.158 -3.645 397 HD3 LYS 49 HD3 LYS 49 8.760 -1.325 -5.195 398 HE2 LYS 49 HE2 LYS 49 6.967 -3.052 -5.131 399 HE3 LYS 49 HE3 LYS 49 8.172 -3.314 -6.391 400 HZ1 LYS 49 HZ1 LYS 49 7.364 -5.133 -4.517 401 HZ2 LYS 49 HZ2 LYS 49 8.872 -4.618 -3.949 402 HZ3 LYS 49 HZ3 LYS 49 8.730 -5.260 -5.508 403 H GLN 50 H GLN 50 11.230 1.655 -4.773 404 HA GLN 50 HA GLN 50 13.891 2.204 -5.706 405 HB2 GLN 50 HB2 GLN 50 11.607 4.158 -5.450 406 HB3 GLN 50 HB3 GLN 50 13.010 4.283 -6.503 407 HG2 GLN 50 HG2 GLN 50 12.068 2.020 -7.461 408 HG3 GLN 50 HG3 GLN 50 10.558 2.636 -6.793 409 HE21 GLN 50 HE21 GLN 50 9.807 2.699 -8.982 410 HE22 GLN 50 HE22 GLN 50 10.225 4.029 -10.003 411 H LYS 51 H LYS 51 14.963 4.312 -5.103 412 HA LYS 51 HA LYS 51 14.964 4.553 -2.176 413 HB2 LYS 51 HB2 LYS 51 17.221 5.456 -2.409 414 HB3 LYS 51 HB3 LYS 51 17.094 3.893 -3.202 415 HG2 LYS 51 HG2 LYS 51 16.624 5.322 -5.329 416 HG3 LYS 51 HG3 LYS 51 17.403 6.605 -4.399 417 HD2 LYS 51 HD2 LYS 51 18.673 3.902 -4.718 418 HD3 LYS 51 HD3 LYS 51 18.872 5.164 -5.936 419 HE2 LYS 51 HE2 LYS 51 19.522 5.511 -3.013 420 HE3 LYS 51 HE3 LYS 51 20.704 5.062 -4.242 421 HZ1 LYS 51 HZ1 LYS 51 20.984 7.290 -4.285 422 HZ2 LYS 51 HZ2 LYS 51 19.415 7.630 -3.753 423 HZ3 LYS 51 HZ3 LYS 51 19.689 7.217 -5.371 424 H SER 52 H SER 52 13.355 5.977 -4.466 425 HA SER 52 HA SER 52 14.044 8.749 -3.994 426 HB2 SER 52 HB2 SER 52 11.871 7.421 -5.621 427 HB3 SER 52 HB3 SER 52 12.026 9.172 -5.467 428 HG SER 52 HG SER 52 13.635 7.348 -6.828 429 H ALA 53 H ALA 53 12.502 6.524 -2.197 430 HA ALA 53 HA ALA 53 11.241 8.482 -0.539 431 HB1 ALA 53 HB1 ALA 53 9.471 6.539 -2.019 432 HB2 ALA 53 HB2 ALA 53 8.959 7.553 -0.668 433 HB3 ALA 53 HB3 ALA 53 9.478 8.296 -2.181 434 H SER 54 H SER 54 11.164 7.792 1.526 435 HA SER 54 HA SER 54 12.303 5.239 2.155 436 HB2 SER 54 HB2 SER 54 12.188 7.670 3.441 437 HB3 SER 54 HB3 SER 54 11.055 6.693 4.376 438 HG SER 54 HG SER 54 13.165 6.476 5.184 439 H VAL 55 H VAL 55 11.322 3.652 3.567 440 HA VAL 55 HA VAL 55 8.911 2.656 2.681 441 HB VAL 55 HB VAL 55 10.558 2.176 5.110 442 HG11 VAL 55 HG11 VAL 55 8.523 2.080 6.232 443 HG12 VAL 55 HG12 VAL 55 7.674 1.411 4.838 444 HG13 VAL 55 HG13 VAL 55 8.800 0.406 5.751 445 HG21 VAL 55 HG21 VAL 55 9.568 -0.145 3.747 446 HG22 VAL 55 HG22 VAL 55 10.210 1.010 2.578 447 HG23 VAL 55 HG23 VAL 55 11.226 0.435 3.900 448 HA PRO 56 HA PRO 56 6.688 4.593 6.513 449 HB2 PRO 56 HB2 PRO 56 8.066 6.445 7.943 450 HB3 PRO 56 HB3 PRO 56 8.117 4.715 8.308 451 HG2 PRO 56 HG2 PRO 56 10.083 6.391 6.794 452 HG3 PRO 56 HG3 PRO 56 10.385 5.134 8.009 453 HD2 PRO 56 HD2 PRO 56 10.617 4.677 5.350 454 HD3 PRO 56 HD3 PRO 56 10.094 3.423 6.493 455 H LEU 57 H LEU 57 8.701 6.353 4.346 456 HA LEU 57 HA LEU 57 7.247 8.838 4.571 457 HB2 LEU 57 HB2 LEU 57 9.588 7.841 3.088 458 HB3 LEU 57 HB3 LEU 57 8.643 9.081 2.268 459 HG LEU 57 HG LEU 57 10.578 9.971 3.535 460 HD11 LEU 57 HD11 LEU 57 8.327 11.106 5.026 461 HD12 LEU 57 HD12 LEU 57 8.076 11.004 3.284 462 HD13 LEU 57 HD13 LEU 57 9.469 11.876 3.924 463 HD21 LEU 57 HD21 LEU 57 10.214 8.214 5.400 464 HD22 LEU 57 HD22 LEU 57 9.072 9.388 6.055 465 HD23 LEU 57 HD23 LEU 57 10.767 9.829 5.840 466 H ILE 58 H ILE 58 7.079 5.939 2.693 467 HA ILE 58 HA ILE 58 5.355 7.124 0.676 468 HB ILE 58 HB ILE 58 6.214 4.255 1.063 469 HG12 ILE 58 HG12 ILE 58 7.115 5.962 -1.210 470 HG13 ILE 58 HG13 ILE 58 7.859 6.224 0.363 471 HG21 ILE 58 HG21 ILE 58 5.414 4.775 -1.593 472 HG22 ILE 58 HG22 ILE 58 4.655 3.705 -0.415 473 HG23 ILE 58 HG23 ILE 58 4.143 5.388 -0.535 474 HD11 ILE 58 HD11 ILE 58 8.907 4.565 -1.353 475 HD12 ILE 58 HD12 ILE 58 8.884 4.179 0.368 476 HD13 ILE 58 HD13 ILE 58 7.694 3.456 -0.714 477 H LEU 59 H LEU 59 5.128 4.752 3.303 478 HA LEU 59 HA LEU 59 2.457 4.023 2.960 479 HB2 LEU 59 HB2 LEU 59 4.163 4.181 5.433 480 HB3 LEU 59 HB3 LEU 59 2.537 3.501 5.425 481 HG LEU 59 HG LEU 59 4.793 2.437 3.732 482 HD11 LEU 59 HD11 LEU 59 5.501 2.130 5.972 483 HD12 LEU 59 HD12 LEU 59 4.829 0.589 5.438 484 HD13 LEU 59 HD13 LEU 59 3.886 1.645 6.490 485 HD21 LEU 59 HD21 LEU 59 3.249 1.119 2.841 486 HD22 LEU 59 HD22 LEU 59 2.008 1.989 3.744 487 HD23 LEU 59 HD23 LEU 59 2.765 0.555 4.440 488 H SER 60 H SER 60 3.889 6.818 4.511 489 HA SER 60 HA SER 60 1.662 7.735 5.937 490 HB2 SER 60 HB2 SER 60 2.762 9.955 5.846 491 HB3 SER 60 HB3 SER 60 3.887 8.671 6.287 492 HG SER 60 HG SER 60 4.637 8.674 4.145 493 H ARG 61 H ARG 61 2.834 8.888 2.768 494 HA ARG 61 HA ARG 61 0.524 10.404 2.199 495 HB2 ARG 61 HB2 ARG 61 2.887 9.455 0.658 496 HB3 ARG 61 HB3 ARG 61 1.484 9.994 -0.257 497 HG2 ARG 61 HG2 ARG 61 3.011 11.825 0.002 498 HG3 ARG 61 HG3 ARG 61 1.564 12.143 0.961 499 HD2 ARG 61 HD2 ARG 61 3.692 10.722 2.394 500 HD3 ARG 61 HD3 ARG 61 4.123 12.351 1.873 501 HE ARG 61 HE ARG 61 1.571 12.174 3.198 502 HH11 ARG 61 HH11 ARG 61 5.004 12.590 3.604 503 HH12 ARG 61 HH12 ARG 61 4.856 13.400 5.129 504 HH21 ARG 61 HH21 ARG 61 1.365 13.238 5.204 505 HH22 ARG 61 HH22 ARG 61 2.787 13.767 6.039 506 H MET 62 H MET 62 1.434 7.080 1.488 507 HA MET 62 HA MET 62 -0.463 6.396 -0.396 508 HB2 MET 62 HB2 MET 62 1.370 4.921 0.420 509 HB3 MET 62 HB3 MET 62 0.455 4.655 1.898 510 HG2 MET 62 HG2 MET 62 -1.368 3.680 0.562 511 HG3 MET 62 HG3 MET 62 -0.386 3.887 -0.886 512 HE1 MET 62 HE1 MET 62 0.198 1.053 2.601 513 HE2 MET 62 HE2 MET 62 -0.896 2.426 2.439 514 HE3 MET 62 HE3 MET 62 -1.267 0.903 1.631 515 H ASN 63 H ASN 63 -0.790 5.996 3.136 516 HA ASN 63 HA ASN 63 -3.419 5.153 3.204 517 HB2 ASN 63 HB2 ASN 63 -1.790 5.298 5.141 518 HB3 ASN 63 HB3 ASN 63 -2.199 7.007 5.253 519 HD21 ASN 63 HD21 ASN 63 -2.585 5.118 7.297 520 HD22 ASN 63 HD22 ASN 63 -4.283 4.983 7.588 521 H LEU 64 H LEU 64 -2.221 8.499 3.445 522 HA LEU 64 HA LEU 64 -4.759 9.714 3.554 523 HB2 LEU 64 HB2 LEU 64 -2.002 10.647 2.905 524 HB3 LEU 64 HB3 LEU 64 -3.367 11.713 2.588 525 HG LEU 64 HG LEU 64 -3.987 11.460 5.018 526 HD11 LEU 64 HD11 LEU 64 -2.315 10.665 6.557 527 HD12 LEU 64 HD12 LEU 64 -1.207 10.314 5.230 528 HD13 LEU 64 HD13 LEU 64 -2.698 9.388 5.403 529 HD21 LEU 64 HD21 LEU 64 -1.296 12.672 4.393 530 HD22 LEU 64 HD22 LEU 64 -2.316 13.066 5.776 531 HD23 LEU 64 HD23 LEU 64 -2.861 13.446 4.142 532 H ASP 65 H ASP 65 -3.070 8.258 0.982 533 HA ASP 65 HA ASP 65 -4.418 9.766 -1.099 534 HB2 ASP 65 HB2 ASP 65 -2.023 8.770 -1.202 535 HB3 ASP 65 HB3 ASP 65 -2.840 7.251 -1.556 536 H ILE 66 H ILE 66 -4.271 6.333 -0.139 537 HA ILE 66 HA ILE 66 -6.343 5.427 -1.765 538 HB ILE 66 HB ILE 66 -5.620 4.343 0.959 539 HG12 ILE 66 HG12 ILE 66 -4.475 3.695 -1.766 540 HG13 ILE 66 HG13 ILE 66 -3.637 4.535 -0.465 541 HG21 ILE 66 HG21 ILE 66 -6.556 2.275 0.216 542 HG22 ILE 66 HG22 ILE 66 -7.752 3.540 -0.062 543 HG23 ILE 66 HG23 ILE 66 -6.805 2.910 -1.410 544 HD11 ILE 66 HD11 ILE 66 -2.854 2.319 -0.442 545 HD12 ILE 66 HD12 ILE 66 -3.971 2.451 0.916 546 HD13 ILE 66 HD13 ILE 66 -4.484 1.660 -0.574 547 H SER 67 H SER 67 -6.486 6.366 1.672 548 HA SER 67 HA SER 67 -9.208 6.006 2.067 549 HB2 SER 67 HB2 SER 67 -7.963 6.409 4.010 550 HB3 SER 67 HB3 SER 67 -7.188 7.840 3.331 551 HG SER 67 HG SER 67 -8.727 8.954 4.200 552 H LYS 68 H LYS 68 -7.484 8.656 0.565 553 HA LYS 68 HA LYS 68 -9.681 10.468 0.503 554 HB2 LYS 68 HB2 LYS 68 -6.930 10.393 -0.469 555 HB3 LYS 68 HB3 LYS 68 -8.022 11.191 -1.594 556 HG2 LYS 68 HG2 LYS 68 -8.735 12.724 0.142 557 HG3 LYS 68 HG3 LYS 68 -7.712 11.896 1.317 558 HD2 LYS 68 HD2 LYS 68 -5.762 12.442 -0.209 559 HD3 LYS 68 HD3 LYS 68 -6.865 13.512 -1.077 560 HE2 LYS 68 HE2 LYS 68 -5.664 14.831 0.509 561 HE3 LYS 68 HE3 LYS 68 -7.321 14.668 1.090 562 HZ1 LYS 68 HZ1 LYS 68 -5.906 12.548 2.161 563 HZ2 LYS 68 HZ2 LYS 68 -6.488 13.909 2.979 564 HZ3 LYS 68 HZ3 LYS 68 -4.914 13.904 2.359 565 H ALA 69 H ALA 69 -8.324 8.160 -1.813 566 HA ALA 69 HA ALA 69 -9.910 8.788 -4.018 567 HB1 ALA 69 HB1 ALA 69 -7.913 7.055 -3.613 568 HB2 ALA 69 HB2 ALA 69 -9.274 5.934 -3.591 569 HB3 ALA 69 HB3 ALA 69 -9.001 6.962 -4.998 570 H ILE 70 H ILE 70 -10.748 7.277 -1.057 571 HA ILE 70 HA ILE 70 -12.972 5.754 -1.942 572 HB ILE 70 HB ILE 70 -12.696 6.956 0.804 573 HG12 ILE 70 HG12 ILE 70 -11.308 4.538 -0.362 574 HG13 ILE 70 HG13 ILE 70 -10.557 5.965 0.344 575 HG21 ILE 70 HG21 ILE 70 -13.954 5.054 1.526 576 HG22 ILE 70 HG22 ILE 70 -14.802 5.781 0.163 577 HG23 ILE 70 HG23 ILE 70 -13.851 4.314 -0.071 578 HD11 ILE 70 HD11 ILE 70 -11.591 5.328 2.522 579 HD12 ILE 70 HD12 ILE 70 -12.104 3.818 1.767 580 HD13 ILE 70 HD13 ILE 70 -10.387 4.193 1.913 581 H ARG 71 H ARG 71 -13.059 8.693 0.074 582 HA ARG 71 HA ARG 71 -15.745 9.280 -0.433 583 HB2 ARG 71 HB2 ARG 71 -15.175 11.569 0.402 584 HB3 ARG 71 HB3 ARG 71 -14.653 10.264 1.459 585 HG2 ARG 71 HG2 ARG 71 -12.379 10.459 0.423 586 HG3 ARG 71 HG3 ARG 71 -12.955 11.915 -0.391 587 HD2 ARG 71 HD2 ARG 71 -13.629 12.707 1.962 588 HD3 ARG 71 HD3 ARG 71 -12.568 11.424 2.541 589 HE ARG 71 HE ARG 71 -11.119 12.902 0.695 590 HH11 ARG 71 HH11 ARG 71 -12.641 13.398 3.786 591 HH12 ARG 71 HH12 ARG 71 -11.527 14.628 4.283 592 HH21 ARG 71 HH21 ARG 71 -9.646 14.520 1.338 593 HH22 ARG 71 HH22 ARG 71 -9.825 15.267 2.889 594 H ASN 72 H ASN 72 -12.798 10.572 -1.941 595 HA ASN 72 HA ASN 72 -13.958 12.420 -3.649 596 HB2 ASN 72 HB2 ASN 72 -11.438 10.822 -3.705 597 HB3 ASN 72 HB3 ASN 72 -11.908 11.680 -5.170 598 HD21 ASN 72 HD21 ASN 72 -11.403 12.136 -1.703 599 HD22 ASN 72 HD22 ASN 72 -10.838 13.764 -1.821 600 H ASP 73 H ASP 73 -12.687 9.340 -4.883 601 HA ASP 73 HA ASP 73 -14.130 9.309 -7.239 602 HB2 ASP 73 HB2 ASP 73 -13.383 6.824 -5.693 603 HB3 ASP 73 HB3 ASP 73 -13.551 6.995 -7.438 604 H GLY 74 H GLY 74 -14.937 7.563 -4.230 605 HA2 GLY 74 HA2 GLY 74 -17.306 7.820 -3.493 606 HA3 GLY 74 HA3 GLY 74 -17.740 7.503 -5.166 607 H VAL 75 H VAL 75 -15.086 5.671 -4.164 608 HA VAL 75 HA VAL 75 -16.703 3.260 -4.172 609 HB VAL 75 HB VAL 75 -14.578 2.050 -4.192 610 HG11 VAL 75 HG11 VAL 75 -15.645 3.246 -6.254 611 HG12 VAL 75 HG12 VAL 75 -14.193 4.247 -6.174 612 HG13 VAL 75 HG13 VAL 75 -14.053 2.501 -6.387 613 HG21 VAL 75 HG21 VAL 75 -13.366 4.791 -3.888 614 HG22 VAL 75 HG22 VAL 75 -13.218 3.423 -2.784 615 HG23 VAL 75 HG23 VAL 75 -12.455 3.361 -4.373 616 H THR 76 H THR 76 -15.530 1.508 -2.582 617 HA THR 76 HA THR 76 -15.162 2.629 0.077 618 HB THR 76 HB THR 76 -17.265 0.505 -0.276 619 HG1 THR 76 HG1 THR 76 -18.775 2.289 -0.028 620 HG21 THR 76 HG21 THR 76 -17.953 1.213 1.944 621 HG22 THR 76 HG22 THR 76 -16.742 2.495 1.936 622 HG23 THR 76 HG23 THR 76 -16.238 0.805 1.950 623 H LEU 77 H LEU 77 -13.767 1.458 1.261 624 HA LEU 77 HA LEU 77 -12.502 -0.819 0.066 625 HB2 LEU 77 HB2 LEU 77 -12.130 0.367 2.812 626 HB3 LEU 77 HB3 LEU 77 -11.059 -0.792 2.027 627 HG LEU 77 HG LEU 77 -11.563 2.022 1.061 628 HD11 LEU 77 HD11 LEU 77 -9.027 2.094 1.777 629 HD12 LEU 77 HD12 LEU 77 -9.552 0.847 2.906 630 HD13 LEU 77 HD13 LEU 77 -10.320 2.434 2.929 631 HD21 LEU 77 HD21 LEU 77 -9.667 -0.140 0.164 632 HD22 LEU 77 HD22 LEU 77 -9.550 1.548 -0.332 633 HD23 LEU 77 HD23 LEU 77 -10.972 0.596 -0.766 634 H SER 78 H SER 78 -12.591 -2.942 0.667 635 HA SER 78 HA SER 78 -14.963 -3.811 2.012 636 HB2 SER 78 HB2 SER 78 -12.708 -5.118 0.576 637 HB3 SER 78 HB3 SER 78 -13.609 -6.103 1.729 638 HG SER 78 HG SER 78 -14.424 -6.083 -0.487 639 H ASP 79 H ASP 79 -14.731 -5.654 3.677 640 HA ASP 79 HA ASP 79 -13.805 -4.638 6.067 641 HB2 ASP 79 HB2 ASP 79 -14.409 -7.437 5.158 642 HB3 ASP 79 HB3 ASP 79 -13.797 -7.140 6.782 643 H TYR 80 H TYR 80 -12.261 -7.336 4.313 644 HA TYR 80 HA TYR 80 -9.928 -7.426 5.810 645 HB2 TYR 80 HB2 TYR 80 -8.933 -8.618 3.913 646 HB3 TYR 80 HB3 TYR 80 -10.574 -9.177 4.216 647 HD1 TYR 80 HD1 TYR 80 -12.417 -8.468 2.696 648 HD2 TYR 80 HD2 TYR 80 -8.338 -7.609 1.843 649 HE1 TYR 80 HE1 TYR 80 -13.008 -8.024 0.350 650 HE2 TYR 80 HE2 TYR 80 -8.918 -7.161 -0.505 651 HH TYR 80 HH TYR 80 -11.495 -8.147 -1.983 652 H GLN 81 H GLN 81 -10.759 -5.407 3.052 653 HA GLN 81 HA GLN 81 -8.221 -4.377 2.484 654 HB2 GLN 81 HB2 GLN 81 -11.019 -3.509 1.988 655 HB3 GLN 81 HB3 GLN 81 -9.760 -2.294 1.810 656 HG2 GLN 81 HG2 GLN 81 -9.257 -4.877 0.487 657 HG3 GLN 81 HG3 GLN 81 -10.576 -3.908 -0.170 658 HE21 GLN 81 HE21 GLN 81 -8.849 -4.140 -1.965 659 HE22 GLN 81 HE22 GLN 81 -7.743 -2.819 -2.093 660 H SER 82 H SER 82 -10.795 -2.540 4.124 661 HA SER 82 HA SER 82 -9.224 -0.536 5.158 662 HB2 SER 82 HB2 SER 82 -11.029 0.022 6.566 663 HB3 SER 82 HB3 SER 82 -11.790 -0.800 5.205 664 HG SER 82 HG SER 82 -12.642 -1.705 7.021 665 H LYS 83 H LYS 83 -9.703 -3.781 6.373 666 HA LYS 83 HA LYS 83 -8.588 -3.396 8.943 667 HB2 LYS 83 HB2 LYS 83 -9.130 -5.767 7.204 668 HB3 LYS 83 HB3 LYS 83 -8.125 -5.972 8.632 669 HG2 LYS 83 HG2 LYS 83 -9.859 -5.486 10.084 670 HG3 LYS 83 HG3 LYS 83 -10.791 -4.638 8.848 671 HD2 LYS 83 HD2 LYS 83 -11.887 -6.709 9.219 672 HD3 LYS 83 HD3 LYS 83 -11.038 -6.861 7.679 673 HE2 LYS 83 HE2 LYS 83 -9.282 -8.127 8.702 674 HE3 LYS 83 HE3 LYS 83 -9.930 -7.820 10.312 675 HZ1 LYS 83 HZ1 LYS 83 -11.362 -9.337 8.201 676 HZ2 LYS 83 HZ2 LYS 83 -11.835 -9.151 9.814 677 HZ3 LYS 83 HZ3 LYS 83 -10.455 -10.054 9.437 678 H LYS 84 H LYS 84 -7.186 -4.545 5.888 679 HA LYS 84 HA LYS 84 -4.585 -4.981 6.888 680 HB2 LYS 84 HB2 LYS 84 -4.001 -5.479 4.728 681 HB3 LYS 84 HB3 LYS 84 -5.747 -5.650 4.607 682 HG2 LYS 84 HG2 LYS 84 -5.463 -4.338 2.804 683 HG3 LYS 84 HG3 LYS 84 -5.511 -3.048 4.007 684 HD2 LYS 84 HD2 LYS 84 -2.943 -3.455 4.149 685 HD3 LYS 84 HD3 LYS 84 -3.162 -4.218 2.572 686 HE2 LYS 84 HE2 LYS 84 -4.568 -1.881 2.304 687 HE3 LYS 84 HE3 LYS 84 -3.215 -1.393 3.323 688 HZ1 LYS 84 HZ1 LYS 84 -1.759 -1.657 1.658 689 HZ2 LYS 84 HZ2 LYS 84 -3.115 -1.520 0.657 690 HZ3 LYS 84 HZ3 LYS 84 -2.510 -3.049 1.055 691 H LEU 85 H LEU 85 -6.286 -2.116 6.098 692 HA LEU 85 HA LEU 85 -4.072 -0.454 5.464 693 HB2 LEU 85 HB2 LEU 85 -6.776 -0.185 5.350 694 HB3 LEU 85 HB3 LEU 85 -6.385 0.821 6.743 695 HG LEU 85 HG LEU 85 -6.527 2.137 4.692 696 HD11 LEU 85 HD11 LEU 85 -4.785 2.500 6.605 697 HD12 LEU 85 HD12 LEU 85 -4.696 3.456 5.126 698 HD13 LEU 85 HD13 LEU 85 -3.619 2.078 5.351 699 HD21 LEU 85 HD21 LEU 85 -5.162 1.800 2.820 700 HD22 LEU 85 HD22 LEU 85 -5.732 0.186 3.245 701 HD23 LEU 85 HD23 LEU 85 -4.098 0.688 3.683 702 H LYS 86 H LYS 86 -5.712 -1.311 8.454 703 HA LYS 86 HA LYS 86 -4.356 0.594 10.083 704 HB2 LYS 86 HB2 LYS 86 -5.428 -0.412 11.910 705 HB3 LYS 86 HB3 LYS 86 -6.555 -0.636 10.578 706 HG2 LYS 86 HG2 LYS 86 -6.604 -2.783 11.122 707 HG3 LYS 86 HG3 LYS 86 -4.956 -2.897 10.497 708 HD2 LYS 86 HD2 LYS 86 -5.007 -1.829 13.188 709 HD3 LYS 86 HD3 LYS 86 -5.793 -3.407 13.101 710 HE2 LYS 86 HE2 LYS 86 -3.847 -4.461 12.824 711 HE3 LYS 86 HE3 LYS 86 -3.330 -3.332 11.573 712 HZ1 LYS 86 HZ1 LYS 86 -2.619 -3.426 14.345 713 HZ2 LYS 86 HZ2 LYS 86 -3.143 -1.889 13.872 714 HZ3 LYS 86 HZ3 LYS 86 -1.854 -2.629 13.063 715 H GLU 87 H GLU 87 -3.291 -2.163 8.540 716 HA GLU 87 HA GLU 87 -1.574 -3.298 10.474 717 HB2 GLU 87 HB2 GLU 87 -1.440 -3.309 7.455 718 HB3 GLU 87 HB3 GLU 87 -0.389 -4.269 8.488 719 HG2 GLU 87 HG2 GLU 87 -2.324 -5.444 9.384 720 HG3 GLU 87 HG3 GLU 87 -3.390 -4.471 8.373 721 H LEU 88 H LEU 88 -0.390 -1.677 7.550 722 HA LEU 88 HA LEU 88 2.071 -0.956 8.719 723 HB2 LEU 88 HB2 LEU 88 2.174 0.621 6.692 724 HB3 LEU 88 HB3 LEU 88 2.124 -1.118 6.411 725 HG LEU 88 HG LEU 88 0.689 0.465 4.941 726 HD11 LEU 88 HD11 LEU 88 -1.190 -1.538 5.709 727 HD12 LEU 88 HD12 LEU 88 0.437 -2.213 5.781 728 HD13 LEU 88 HD13 LEU 88 -0.147 -1.478 4.288 729 HD21 LEU 88 HD21 LEU 88 -0.290 1.614 6.955 730 HD22 LEU 88 HD22 LEU 88 -1.198 0.135 7.264 731 HD23 LEU 88 HD23 LEU 88 -1.461 1.034 5.770 732 H THR 89 H THR 89 -0.971 0.323 9.194 733 HA THR 89 HA THR 89 -0.442 3.091 9.366 734 HB THR 89 HB THR 89 -2.563 1.323 10.543 735 HG1 THR 89 HG1 THR 89 -2.478 2.215 8.277 736 HG21 THR 89 HG21 THR 89 -3.650 3.508 11.291 737 HG22 THR 89 HG22 THR 89 -2.042 4.220 11.163 738 HG23 THR 89 HG23 THR 89 -2.332 2.892 12.286 739 H SER 90 H SER 90 -0.290 0.482 11.756 740 HA SER 90 HA SER 90 0.423 2.231 13.913 741 HB2 SER 90 HB2 SER 90 -0.694 0.237 14.546 742 HB3 SER 90 HB3 SER 90 0.396 -0.770 13.594 743 HG SER 90 HG SER 90 0.620 -0.098 16.138 744 H ILE 91 H ILE 91 2.139 0.346 11.532 745 HA ILE 91 HA ILE 91 4.683 0.419 12.813 746 HB ILE 91 HB ILE 91 4.167 0.116 9.856 747 HG12 ILE 91 HG12 ILE 91 4.230 -2.031 11.987 748 HG13 ILE 91 HG13 ILE 91 2.781 -1.461 11.164 749 HG21 ILE 91 HG21 ILE 91 6.342 -1.299 11.286 750 HG22 ILE 91 HG22 ILE 91 6.302 -0.635 9.653 751 HG23 ILE 91 HG23 ILE 91 6.530 0.437 11.036 752 HD11 ILE 91 HD11 ILE 91 3.376 -3.464 10.105 753 HD12 ILE 91 HD12 ILE 91 3.902 -2.184 9.012 754 HD13 ILE 91 HD13 ILE 91 5.079 -3.015 10.028 755 H SER 92 H SER 92 3.069 2.445 10.412 756 HA SER 92 HA SER 92 5.330 4.099 9.892 757 HB2 SER 92 HB2 SER 92 3.924 5.337 8.501 758 HB3 SER 92 HB3 SER 92 3.162 3.748 8.481 759 HG SER 92 HG SER 92 1.570 5.245 8.869 760 H ASN 93 H ASN 93 4.761 6.643 10.150 761 HA ASN 93 HA ASN 93 4.940 7.101 12.978 762 HB2 ASN 93 HB2 ASN 93 5.103 9.530 12.242 763 HB3 ASN 93 HB3 ASN 93 6.351 8.450 11.628 764 HD21 ASN 93 HD21 ASN 93 6.183 7.712 9.449 765 HD22 ASN 93 HD22 ASN 93 5.344 8.658 8.272 766 H ILE 94 H ILE 94 2.513 7.502 10.494 767 HA ILE 94 HA ILE 94 0.749 9.033 12.200 768 HB ILE 94 HB ILE 94 0.111 7.747 9.545 769 HG12 ILE 94 HG12 ILE 94 2.037 9.272 9.355 770 HG13 ILE 94 HG13 ILE 94 0.619 9.915 8.536 771 HG21 ILE 94 HG21 ILE 94 -1.354 9.450 11.425 772 HG22 ILE 94 HG22 ILE 94 -1.404 9.997 9.749 773 HG23 ILE 94 HG23 ILE 94 -1.952 8.372 10.164 774 HD11 ILE 94 HD11 ILE 94 0.675 10.843 11.240 775 HD12 ILE 94 HD12 ILE 94 2.217 11.177 10.451 776 HD13 ILE 94 HD13 ILE 94 0.716 11.764 9.737 777 H ARG 95 H ARG 95 0.907 7.245 13.868 778 HA ARG 95 HA ARG 95 -0.915 5.020 13.294 779 HB2 ARG 95 HB2 ARG 95 -0.055 4.041 15.391 780 HB3 ARG 95 HB3 ARG 95 1.229 4.377 14.237 781 HG2 ARG 95 HG2 ARG 95 2.241 5.818 15.606 782 HG3 ARG 95 HG3 ARG 95 0.721 6.575 16.087 783 HD2 ARG 95 HD2 ARG 95 1.260 5.622 18.075 784 HD3 ARG 95 HD3 ARG 95 0.432 4.246 17.347 785 HE ARG 95 HE ARG 95 2.438 3.137 17.222 786 HH11 ARG 95 HH11 ARG 95 3.007 6.496 17.939 787 HH12 ARG 95 HH12 ARG 95 4.691 6.273 18.275 788 HH21 ARG 95 HH21 ARG 95 4.655 2.831 17.663 789 HH22 ARG 95 HH22 ARG 95 5.628 4.189 18.117 790 H TYR 96 H TYR 96 -0.647 7.962 15.079 791 HA TYR 96 HA TYR 96 -2.696 7.407 16.990 792 HB2 TYR 96 HB2 TYR 96 -1.881 10.169 16.121 793 HB3 TYR 96 HB3 TYR 96 -2.440 9.635 17.702 794 HD1 TYR 96 HD1 TYR 96 -0.918 8.277 19.147 795 HD2 TYR 96 HD2 TYR 96 0.421 10.101 15.544 796 HE1 TYR 96 HE1 TYR 96 1.412 8.018 19.888 797 HE2 TYR 96 HE2 TYR 96 2.755 9.844 16.274 798 HH TYR 96 HH TYR 96 4.089 9.376 18.044 799 H GLY 97 H GLY 97 -2.687 9.838 14.377 800 HA2 GLY 97 HA2 GLY 97 -4.323 10.302 12.798 801 HA3 GLY 97 HA3 GLY 97 -5.254 8.943 13.409 802 H TYR 98 H TYR 98 -4.105 11.392 15.586 803 HA TYR 98 HA TYR 98 -6.681 11.927 16.594 804 HB2 TYR 98 HB2 TYR 98 -4.489 12.221 17.817 805 HB3 TYR 98 HB3 TYR 98 -4.254 13.701 16.895 806 HD1 TYR 98 HD1 TYR 98 -6.290 12.068 19.490 807 HD2 TYR 98 HD2 TYR 98 -5.488 15.695 17.415 808 HE1 TYR 98 HE1 TYR 98 -7.599 13.309 21.164 809 HE2 TYR 98 HE2 TYR 98 -6.793 16.946 19.083 810 HH TYR 98 HH TYR 98 -8.905 16.013 20.840 Start of MODEL 3 1 H1 MET 1 H MET 1 6.054 -24.635 17.579 2 HA MET 1 HA MET 1 6.214 -27.572 17.435 3 HB2 MET 1 HB2 MET 1 6.776 -25.636 19.655 4 HB3 MET 1 HB3 MET 1 6.322 -27.294 20.026 5 HG2 MET 1 HG2 MET 1 8.633 -27.354 20.038 6 HG3 MET 1 HG3 MET 1 8.219 -27.956 18.435 7 HE1 MET 1 HE1 MET 1 10.817 -27.035 19.614 8 HE2 MET 1 HE2 MET 1 11.600 -25.844 18.574 9 HE3 MET 1 HE3 MET 1 10.801 -25.329 20.061 10 H GLY 2 H GLY 2 4.269 -24.821 18.388 11 HA2 GLY 2 HA2 GLY 2 2.164 -26.526 19.460 12 HA3 GLY 2 HA3 GLY 2 2.166 -24.770 19.426 13 H LYS 3 H LYS 3 0.403 -24.166 18.351 14 HA LYS 3 HA LYS 3 -0.626 -25.710 16.142 15 HB2 LYS 3 HB2 LYS 3 -2.084 -24.543 17.812 16 HB3 LYS 3 HB3 LYS 3 -1.543 -23.010 17.142 17 HG2 LYS 3 HG2 LYS 3 -3.585 -23.384 16.106 18 HG3 LYS 3 HG3 LYS 3 -2.403 -23.903 14.902 19 HD2 LYS 3 HD2 LYS 3 -2.701 -26.246 15.805 20 HD3 LYS 3 HD3 LYS 3 -4.078 -25.624 16.718 21 HE2 LYS 3 HE2 LYS 3 -3.844 -25.253 13.747 22 HE3 LYS 3 HE3 LYS 3 -4.544 -26.711 14.447 23 HZ1 LYS 3 HZ1 LYS 3 -6.049 -24.705 13.829 24 HZ2 LYS 3 HZ2 LYS 3 -5.536 -24.086 15.317 25 HZ3 LYS 3 HZ3 LYS 3 -6.344 -25.571 15.252 26 H LEU 4 H LEU 4 -0.248 -25.388 14.043 27 HA LEU 4 HA LEU 4 1.553 -23.260 13.254 28 HB2 LEU 4 HB2 LEU 4 0.504 -25.746 12.005 29 HB3 LEU 4 HB3 LEU 4 1.095 -24.466 10.947 30 HG LEU 4 HG LEU 4 2.812 -26.145 11.342 31 HD11 LEU 4 HD11 LEU 4 3.068 -23.348 11.830 32 HD12 LEU 4 HD12 LEU 4 4.231 -24.461 11.110 33 HD13 LEU 4 HD13 LEU 4 4.208 -24.218 12.857 34 HD21 LEU 4 HD21 LEU 4 3.547 -26.832 13.406 35 HD22 LEU 4 HD22 LEU 4 1.831 -26.584 13.731 36 HD23 LEU 4 HD23 LEU 4 3.006 -25.359 14.211 37 H LYS 5 H LYS 5 0.946 -21.392 12.389 38 HA LYS 5 HA LYS 5 -1.850 -21.077 11.557 39 HB2 LYS 5 HB2 LYS 5 0.178 -18.896 12.062 40 HB3 LYS 5 HB3 LYS 5 -1.566 -18.720 11.912 41 HG2 LYS 5 HG2 LYS 5 -1.783 -20.136 13.976 42 HG3 LYS 5 HG3 LYS 5 -0.033 -19.998 14.159 43 HD2 LYS 5 HD2 LYS 5 -1.871 -17.620 13.942 44 HD3 LYS 5 HD3 LYS 5 -1.392 -18.341 15.480 45 HE2 LYS 5 HE2 LYS 5 0.976 -17.950 14.873 46 HE3 LYS 5 HE3 LYS 5 0.437 -17.140 13.402 47 HZ1 LYS 5 HZ1 LYS 5 0.806 -16.007 15.893 48 HZ2 LYS 5 HZ2 LYS 5 -0.870 -16.054 15.668 49 HZ3 LYS 5 HZ3 LYS 5 0.113 -15.278 14.532 50 H TRP 6 H TRP 6 1.005 -21.794 10.166 51 HA TRP 6 HA TRP 6 1.909 -21.595 8.084 52 HB2 TRP 6 HB2 TRP 6 -1.037 -21.302 7.509 53 HB3 TRP 6 HB3 TRP 6 0.169 -21.361 6.226 54 HD1 TRP 6 HD1 TRP 6 -2.015 -23.567 8.178 55 HE1 TRP 6 HE1 TRP 6 -1.321 -26.031 7.903 56 HE3 TRP 6 HE3 TRP 6 2.580 -22.881 6.047 57 HZ2 TRP 6 HZ2 TRP 6 0.884 -27.489 6.914 58 HZ3 TRP 6 HZ3 TRP 6 3.919 -24.862 5.467 59 HH2 TRP 6 HH2 TRP 6 3.087 -27.118 5.893 60 H PHE 7 H PHE 7 2.596 -19.425 9.259 61 HA PHE 7 HA PHE 7 2.382 -17.376 7.227 62 HB2 PHE 7 HB2 PHE 7 0.489 -16.745 8.560 63 HB3 PHE 7 HB3 PHE 7 1.408 -16.926 10.050 64 HD1 PHE 7 HD2 PHE 7 0.948 -14.855 7.043 65 HD2 PHE 7 HD1 PHE 7 2.803 -15.186 10.859 66 HE1 PHE 7 HE2 PHE 7 1.556 -12.473 6.949 67 HE2 PHE 7 HE1 PHE 7 3.414 -12.803 10.772 68 HZ PHE 7 HZ PHE 7 2.791 -11.445 8.815 69 H SER 8 H SER 8 4.435 -16.894 6.850 70 HA SER 8 HA SER 8 6.139 -15.783 8.797 71 HB2 SER 8 HB2 SER 8 7.898 -17.735 8.489 72 HB3 SER 8 HB3 SER 8 6.671 -17.817 9.753 73 HG SER 8 HG SER 8 6.900 -19.742 8.414 74 H GLY 9 H GLY 9 7.728 -14.635 7.828 75 HA2 GLY 9 HA2 GLY 9 9.398 -14.956 5.848 76 HA3 GLY 9 HA3 GLY 9 7.915 -14.876 4.910 77 H GLY 10 H GLY 10 10.447 -13.104 5.475 78 HA2 GLY 10 HA2 GLY 10 10.565 -10.819 4.819 79 HA3 GLY 10 HA3 GLY 10 8.916 -10.602 5.385 80 H LYS 11 H LYS 11 12.213 -11.248 6.524 81 HA LYS 11 HA LYS 11 11.574 -10.422 9.214 82 HB2 LYS 11 HB2 LYS 11 14.009 -10.739 9.612 83 HB3 LYS 11 HB3 LYS 11 13.224 -12.156 8.929 84 HG2 LYS 11 HG2 LYS 11 14.368 -12.025 6.982 85 HG3 LYS 11 HG3 LYS 11 14.446 -10.263 7.017 86 HD2 LYS 11 HD2 LYS 11 16.071 -10.553 8.971 87 HD3 LYS 11 HD3 LYS 11 16.169 -12.246 8.477 88 HE2 LYS 11 HE2 LYS 11 16.691 -11.309 6.138 89 HE3 LYS 11 HE3 LYS 11 17.009 -9.790 6.973 90 HZ1 LYS 11 HZ1 LYS 11 18.328 -12.347 7.689 91 HZ2 LYS 11 HZ2 LYS 11 18.735 -10.794 8.222 92 HZ3 LYS 11 HZ3 LYS 11 18.994 -11.229 6.608 93 H GLU 12 H GLU 12 10.794 -8.342 7.835 94 HA GLU 12 HA GLU 12 12.542 -6.244 8.699 95 HB2 GLU 12 HB2 GLU 12 12.391 -6.985 5.823 96 HB3 GLU 12 HB3 GLU 12 12.375 -5.272 6.214 97 HG2 GLU 12 HG2 GLU 12 14.448 -5.823 7.654 98 HG3 GLU 12 HG3 GLU 12 14.523 -7.292 6.682 99 H ARG 13 H ARG 13 11.497 -4.274 8.879 100 HA ARG 13 HA ARG 13 8.631 -4.393 8.877 101 HB2 ARG 13 HB2 ARG 13 10.664 -2.329 9.657 102 HB3 ARG 13 HB3 ARG 13 8.965 -1.892 9.530 103 HG2 ARG 13 HG2 ARG 13 8.385 -3.561 11.191 104 HG3 ARG 13 HG3 ARG 13 10.071 -4.073 11.287 105 HD2 ARG 13 HD2 ARG 13 10.563 -1.623 11.889 106 HD3 ARG 13 HD3 ARG 13 8.829 -1.494 12.187 107 HE ARG 13 HE ARG 13 10.050 -3.705 13.547 108 HH11 ARG 13 HH11 ARG 13 9.391 -0.290 13.688 109 HH12 ARG 13 HH12 ARG 13 9.473 -0.211 15.417 110 HH21 ARG 13 HH21 ARG 13 10.161 -3.616 15.824 111 HH22 ARG 13 HH22 ARG 13 9.913 -2.105 16.631 112 H SER 14 H SER 14 11.107 -2.902 6.887 113 HA SER 14 HA SER 14 9.424 -1.183 5.412 114 HB2 SER 14 HB2 SER 14 11.296 -1.248 3.714 115 HB3 SER 14 HB3 SER 14 11.789 -0.800 5.347 116 HG SER 14 HG SER 14 13.088 -2.447 4.178 117 H ASN 15 H ASN 15 10.672 -4.435 4.679 118 HA ASN 15 HA ASN 15 9.190 -4.675 2.254 119 HB2 ASN 15 HB2 ASN 15 10.780 -6.572 3.953 120 HB3 ASN 15 HB3 ASN 15 9.796 -7.184 2.626 121 HD21 ASN 15 HD21 ASN 15 12.342 -4.870 3.403 122 HD22 ASN 15 HD22 ASN 15 13.127 -4.946 1.865 123 H GLN 16 H GLN 16 8.347 -4.933 5.516 124 HA GLN 16 HA GLN 16 6.440 -6.978 5.508 125 HB2 GLN 16 HB2 GLN 16 7.354 -5.725 7.512 126 HB3 GLN 16 HB3 GLN 16 6.237 -4.427 7.108 127 HG2 GLN 16 HG2 GLN 16 4.363 -6.009 7.341 128 HG3 GLN 16 HG3 GLN 16 5.508 -7.254 7.835 129 HE21 GLN 16 HE21 GLN 16 7.171 -5.953 9.502 130 HE22 GLN 16 HE22 GLN 16 6.314 -5.362 10.881 131 H ALA 17 H ALA 17 5.790 -3.472 5.329 132 HA ALA 17 HA ALA 17 3.111 -3.591 4.703 133 HB1 ALA 17 HB1 ALA 17 4.871 -1.529 3.430 134 HB2 ALA 17 HB2 ALA 17 3.247 -1.353 4.098 135 HB3 ALA 17 HB3 ALA 17 4.628 -1.556 5.176 136 H GLU 18 H GLU 18 5.869 -3.628 2.462 137 HA GLU 18 HA GLU 18 4.508 -3.577 0.057 138 HB2 GLU 18 HB2 GLU 18 6.953 -3.451 0.239 139 HB3 GLU 18 HB3 GLU 18 7.010 -5.139 0.724 140 HG2 GLU 18 HG2 GLU 18 5.687 -5.378 -1.597 141 HG3 GLU 18 HG3 GLU 18 6.647 -3.940 -1.941 142 H ASN 19 H ASN 19 5.214 -6.343 2.147 143 HA ASN 19 HA ASN 19 4.199 -8.329 0.415 144 HB2 ASN 19 HB2 ASN 19 4.471 -8.324 3.430 145 HB3 ASN 19 HB3 ASN 19 4.121 -9.749 2.455 146 HD21 ASN 19 HD21 ASN 19 6.361 -9.276 4.207 147 HD22 ASN 19 HD22 ASN 19 7.784 -9.398 3.235 148 H ILE 20 H ILE 20 2.712 -6.361 2.935 149 HA ILE 20 HA ILE 20 0.220 -7.702 2.975 150 HB ILE 20 HB ILE 20 0.728 -4.807 3.662 151 HG12 ILE 20 HG12 ILE 20 0.860 -7.210 5.492 152 HG13 ILE 20 HG13 ILE 20 2.272 -6.400 4.826 153 HG21 ILE 20 HG21 ILE 20 -1.255 -4.869 4.901 154 HG22 ILE 20 HG22 ILE 20 -1.652 -5.706 3.402 155 HG23 ILE 20 HG23 ILE 20 -1.326 -6.631 4.868 156 HD11 ILE 20 HD11 ILE 20 1.368 -5.839 7.224 157 HD12 ILE 20 HD12 ILE 20 2.036 -4.583 6.180 158 HD13 ILE 20 HD13 ILE 20 0.288 -4.776 6.322 159 H ILE 21 H ILE 21 1.196 -4.638 1.432 160 HA ILE 21 HA ILE 21 -1.163 -4.016 0.153 161 HB ILE 21 HB ILE 21 1.629 -3.601 -0.925 162 HG12 ILE 21 HG12 ILE 21 -0.109 -1.709 0.670 163 HG13 ILE 21 HG13 ILE 21 1.177 -2.686 1.368 164 HG21 ILE 21 HG21 ILE 21 0.531 -2.925 -2.755 165 HG22 ILE 21 HG22 ILE 21 -1.018 -2.860 -1.916 166 HG23 ILE 21 HG23 ILE 21 0.106 -1.507 -1.797 167 HD11 ILE 21 HD11 ILE 21 1.335 -0.281 -0.350 168 HD12 ILE 21 HD12 ILE 21 2.309 -0.750 1.045 169 HD13 ILE 21 HD13 ILE 21 2.595 -1.503 -0.524 170 H THR 22 H THR 22 1.405 -6.198 -0.922 171 HA THR 22 HA THR 22 0.510 -6.723 -3.500 172 HB THR 22 HB THR 22 1.832 -8.691 -1.621 173 HG1 THR 22 HG1 THR 22 3.735 -7.886 -2.873 174 HG21 THR 22 HG21 THR 22 1.710 -8.589 -4.638 175 HG22 THR 22 HG22 THR 22 0.902 -9.765 -3.603 176 HG23 THR 22 HG23 THR 22 2.663 -9.731 -3.690 177 H ASP 23 H ASP 23 -0.701 -7.838 -0.436 178 HA ASP 23 HA ASP 23 -2.137 -10.093 -1.269 179 HB2 ASP 23 HB2 ASP 23 -1.696 -9.358 1.112 180 HB3 ASP 23 HB3 ASP 23 -2.996 -8.186 0.909 181 H LEU 24 H LEU 24 -3.502 -6.872 -0.561 182 HA LEU 24 HA LEU 24 -6.013 -7.250 -1.598 183 HB2 LEU 24 HB2 LEU 24 -4.339 -4.746 -1.700 184 HB3 LEU 24 HB3 LEU 24 -6.079 -4.807 -1.968 185 HG LEU 24 HG LEU 24 -4.587 -5.306 0.599 186 HD11 LEU 24 HD11 LEU 24 -5.848 -3.440 1.422 187 HD12 LEU 24 HD12 LEU 24 -6.766 -3.340 -0.080 188 HD13 LEU 24 HD13 LEU 24 -5.044 -2.962 -0.073 189 HD21 LEU 24 HD21 LEU 24 -6.930 -5.626 1.531 190 HD22 LEU 24 HD22 LEU 24 -6.248 -6.970 0.616 191 HD23 LEU 24 HD23 LEU 24 -7.439 -5.906 -0.134 192 H LEU 25 H LEU 25 -3.109 -6.187 -3.336 193 HA LEU 25 HA LEU 25 -4.245 -5.702 -5.823 194 HB2 LEU 25 HB2 LEU 25 -1.547 -6.433 -4.844 195 HB3 LEU 25 HB3 LEU 25 -1.854 -6.636 -6.568 196 HG LEU 25 HG LEU 25 -0.787 -4.496 -6.095 197 HD11 LEU 25 HD11 LEU 25 -3.047 -3.142 -6.880 198 HD12 LEU 25 HD12 LEU 25 -3.378 -4.799 -7.383 199 HD13 LEU 25 HD13 LEU 25 -1.919 -3.982 -7.945 200 HD21 LEU 25 HD21 LEU 25 -2.193 -2.754 -4.911 201 HD22 LEU 25 HD22 LEU 25 -1.466 -3.995 -3.891 202 HD23 LEU 25 HD23 LEU 25 -3.177 -4.090 -4.314 203 H ASP 26 H ASP 26 -3.221 -8.734 -4.356 204 HA ASP 26 HA ASP 26 -3.419 -10.368 -6.633 205 HB2 ASP 26 HB2 ASP 26 -2.461 -10.865 -4.255 206 HB3 ASP 26 HB3 ASP 26 -4.105 -11.386 -3.896 207 H ASP 27 H ASP 27 -5.768 -9.967 -3.976 208 HA ASP 27 HA ASP 27 -7.836 -11.416 -5.191 209 HB2 ASP 27 HB2 ASP 27 -7.793 -9.305 -3.048 210 HB3 ASP 27 HB3 ASP 27 -9.310 -10.004 -3.610 211 H LEU 28 H LEU 28 -6.836 -8.083 -5.512 212 HA LEU 28 HA LEU 28 -9.184 -7.138 -6.799 213 HB2 LEU 28 HB2 LEU 28 -6.474 -6.146 -6.257 214 HB3 LEU 28 HB3 LEU 28 -7.226 -5.489 -7.710 215 HG LEU 28 HG LEU 28 -8.745 -5.434 -5.141 216 HD11 LEU 28 HD11 LEU 28 -7.456 -3.928 -4.131 217 HD12 LEU 28 HD12 LEU 28 -7.224 -3.012 -5.619 218 HD13 LEU 28 HD13 LEU 28 -6.188 -4.394 -5.265 219 HD21 LEU 28 HD21 LEU 28 -8.602 -3.266 -7.185 220 HD22 LEU 28 HD22 LEU 28 -9.939 -3.742 -6.139 221 HD23 LEU 28 HD23 LEU 28 -9.518 -4.731 -7.538 222 H LYS 29 H LYS 29 -6.488 -8.990 -7.850 223 HA LYS 29 HA LYS 29 -6.209 -8.390 -10.510 224 HB2 LYS 29 HB2 LYS 29 -4.837 -10.065 -9.410 225 HB3 LYS 29 HB3 LYS 29 -6.229 -11.121 -9.216 226 HG2 LYS 29 HG2 LYS 29 -6.397 -11.335 -11.651 227 HG3 LYS 29 HG3 LYS 29 -4.981 -10.297 -11.830 228 HD2 LYS 29 HD2 LYS 29 -4.606 -12.576 -10.018 229 HD3 LYS 29 HD3 LYS 29 -4.915 -13.019 -11.699 230 HE2 LYS 29 HE2 LYS 29 -2.802 -11.071 -10.785 231 HE3 LYS 29 HE3 LYS 29 -2.508 -12.764 -11.179 232 HZ1 LYS 29 HZ1 LYS 29 -3.235 -10.545 -12.977 233 HZ2 LYS 29 HZ2 LYS 29 -3.584 -12.141 -13.416 234 HZ3 LYS 29 HZ3 LYS 29 -1.984 -11.674 -13.129 235 H THR 30 H THR 30 -8.454 -10.844 -9.215 236 HA THR 30 HA THR 30 -9.874 -10.956 -11.732 237 HB THR 30 HB THR 30 -11.376 -12.563 -10.469 238 HG1 THR 30 HG1 THR 30 -10.855 -13.092 -8.423 239 HG21 THR 30 HG21 THR 30 -8.433 -13.000 -10.852 240 HG22 THR 30 HG22 THR 30 -9.782 -13.593 -11.821 241 HG23 THR 30 HG23 THR 30 -9.464 -14.290 -10.233 242 H ASP 31 H ASP 31 -10.110 -9.239 -8.777 243 HA ASP 31 HA ASP 31 -12.917 -8.758 -8.796 244 HB2 ASP 31 HB2 ASP 31 -11.110 -8.449 -6.894 245 HB3 ASP 31 HB3 ASP 31 -11.009 -6.820 -7.558 246 H LEU 32 H LEU 32 -14.082 -7.049 -9.593 247 HA LEU 32 HA LEU 32 -12.655 -5.312 -11.497 248 HB2 LEU 32 HB2 LEU 32 -15.409 -6.492 -11.514 249 HB3 LEU 32 HB3 LEU 32 -15.032 -5.060 -12.471 250 HG LEU 32 HG LEU 32 -13.092 -6.602 -13.383 251 HD11 LEU 32 HD11 LEU 32 -14.915 -8.830 -13.345 252 HD12 LEU 32 HD12 LEU 32 -14.427 -8.388 -11.709 253 HD13 LEU 32 HD13 LEU 32 -13.204 -8.768 -12.920 254 HD21 LEU 32 HD21 LEU 32 -15.973 -6.456 -14.162 255 HD22 LEU 32 HD22 LEU 32 -14.867 -7.491 -15.066 256 HD23 LEU 32 HD23 LEU 32 -14.559 -5.757 -14.951 257 H ASP 33 H ASP 33 -13.045 -4.847 -8.617 258 HA ASP 33 HA ASP 33 -15.042 -2.778 -8.400 259 HB2 ASP 33 HB2 ASP 33 -13.106 -4.095 -6.571 260 HB3 ASP 33 HB3 ASP 33 -13.610 -2.460 -6.153 261 H ASN 34 H ASN 34 -11.589 -2.604 -7.561 262 HA ASN 34 HA ASN 34 -11.553 0.178 -8.417 263 HB2 ASN 34 HB2 ASN 34 -9.589 -1.541 -6.902 264 HB3 ASN 34 HB3 ASN 34 -9.202 0.092 -7.437 265 HD21 ASN 34 HD21 ASN 34 -10.839 -1.837 -5.141 266 HD22 ASN 34 HD22 ASN 34 -11.464 -0.552 -4.170 267 H GLU 35 H GLU 35 -11.018 0.676 -10.429 268 HA GLU 35 HA GLU 35 -9.328 -1.174 -11.957 269 HB2 GLU 35 HB2 GLU 35 -11.513 -0.609 -12.936 270 HB3 GLU 35 HB3 GLU 35 -11.080 1.095 -12.918 271 HG2 GLU 35 HG2 GLU 35 -9.361 0.748 -14.536 272 HG3 GLU 35 HG3 GLU 35 -9.558 -1.002 -14.444 273 H SER 36 H SER 36 -9.711 2.287 -11.256 274 HA SER 36 HA SER 36 -6.996 2.765 -12.255 275 HB2 SER 36 HB2 SER 36 -8.168 5.200 -11.435 276 HB3 SER 36 HB3 SER 36 -7.907 4.636 -13.085 277 HG SER 36 HG SER 36 -10.081 5.046 -12.835 278 H LEU 37 H LEU 37 -8.881 2.657 -9.356 279 HA LEU 37 HA LEU 37 -7.338 4.229 -7.644 280 HB2 LEU 37 HB2 LEU 37 -9.583 2.752 -7.376 281 HB3 LEU 37 HB3 LEU 37 -8.429 1.733 -6.519 282 HG LEU 37 HG LEU 37 -9.478 3.087 -4.891 283 HD11 LEU 37 HD11 LEU 37 -7.000 4.681 -5.315 284 HD12 LEU 37 HD12 LEU 37 -6.865 2.946 -5.033 285 HD13 LEU 37 HD13 LEU 37 -7.650 3.975 -3.836 286 HD21 LEU 37 HD21 LEU 37 -10.053 4.824 -6.836 287 HD22 LEU 37 HD22 LEU 37 -8.697 5.674 -6.096 288 HD23 LEU 37 HD23 LEU 37 -10.108 5.250 -5.125 289 H LYS 38 H LYS 38 -6.923 0.897 -8.700 290 HA LYS 38 HA LYS 38 -5.014 -0.010 -6.936 291 HB2 LYS 38 HB2 LYS 38 -5.445 -0.528 -9.865 292 HB3 LYS 38 HB3 LYS 38 -4.125 -1.301 -8.998 293 HG2 LYS 38 HG2 LYS 38 -5.518 -2.629 -7.772 294 HG3 LYS 38 HG3 LYS 38 -6.860 -1.485 -7.850 295 HD2 LYS 38 HD2 LYS 38 -7.362 -3.447 -9.184 296 HD3 LYS 38 HD3 LYS 38 -7.164 -2.040 -10.232 297 HE2 LYS 38 HE2 LYS 38 -6.062 -4.105 -11.081 298 HE3 LYS 38 HE3 LYS 38 -4.964 -2.742 -10.864 299 HZ1 LYS 38 HZ1 LYS 38 -4.603 -5.249 -9.879 300 HZ2 LYS 38 HZ2 LYS 38 -5.162 -4.393 -8.531 301 HZ3 LYS 38 HZ3 LYS 38 -3.787 -3.859 -9.361 302 H LYS 39 H LYS 39 -4.681 2.317 -9.504 303 HA LYS 39 HA LYS 39 -1.955 2.313 -9.953 304 HB2 LYS 39 HB2 LYS 39 -2.211 4.438 -10.878 305 HB3 LYS 39 HB3 LYS 39 -3.820 3.744 -11.027 306 HG2 LYS 39 HG2 LYS 39 -4.344 4.916 -8.825 307 HG3 LYS 39 HG3 LYS 39 -2.850 5.817 -9.091 308 HD2 LYS 39 HD2 LYS 39 -5.217 5.700 -10.960 309 HD3 LYS 39 HD3 LYS 39 -4.775 7.060 -9.925 310 HE2 LYS 39 HE2 LYS 39 -3.188 5.941 -12.232 311 HE3 LYS 39 HE3 LYS 39 -4.026 7.491 -12.176 312 HZ1 LYS 39 HZ1 LYS 39 -2.108 8.330 -11.479 313 HZ2 LYS 39 HZ2 LYS 39 -1.429 6.804 -11.215 314 HZ3 LYS 39 HZ3 LYS 39 -2.364 7.533 -10.009 315 H VAL 40 H VAL 40 -3.754 3.603 -7.238 316 HA VAL 40 HA VAL 40 -1.647 5.122 -6.102 317 HB VAL 40 HB VAL 40 -4.149 3.944 -4.902 318 HG11 VAL 40 HG11 VAL 40 -2.081 5.705 -3.593 319 HG12 VAL 40 HG12 VAL 40 -3.685 5.379 -2.933 320 HG13 VAL 40 HG13 VAL 40 -2.525 4.063 -3.126 321 HG21 VAL 40 HG21 VAL 40 -5.155 5.890 -5.400 322 HG22 VAL 40 HG22 VAL 40 -3.733 6.848 -4.984 323 HG23 VAL 40 HG23 VAL 40 -3.842 6.074 -6.565 324 H LEU 41 H LEU 41 -3.075 2.137 -4.777 325 HA LEU 41 HA LEU 41 -1.025 1.520 -3.031 326 HB2 LEU 41 HB2 LEU 41 -2.821 -0.382 -4.528 327 HB3 LEU 41 HB3 LEU 41 -1.859 -0.797 -3.110 328 HG LEU 41 HG LEU 41 -3.654 1.462 -2.664 329 HD11 LEU 41 HD11 LEU 41 -5.684 0.534 -3.035 330 HD12 LEU 41 HD12 LEU 41 -5.105 -1.112 -2.779 331 HD13 LEU 41 HD13 LEU 41 -4.800 -0.300 -4.314 332 HD21 LEU 41 HD21 LEU 41 -4.193 0.140 -0.663 333 HD22 LEU 41 HD22 LEU 41 -2.455 0.349 -0.876 334 HD23 LEU 41 HD23 LEU 41 -3.216 -1.187 -1.290 335 H GLU 42 H GLU 42 -1.416 0.533 -6.413 336 HA GLU 42 HA GLU 42 0.795 -1.168 -6.583 337 HB2 GLU 42 HB2 GLU 42 -0.628 0.516 -8.634 338 HB3 GLU 42 HB3 GLU 42 0.736 -0.508 -9.062 339 HG2 GLU 42 HG2 GLU 42 -0.919 -2.185 -7.623 340 HG3 GLU 42 HG3 GLU 42 -2.031 -1.204 -8.576 341 H ASN 43 H ASN 43 0.612 2.190 -7.784 342 HA ASN 43 HA ASN 43 3.278 2.564 -8.346 343 HB2 ASN 43 HB2 ASN 43 1.359 4.152 -8.815 344 HB3 ASN 43 HB3 ASN 43 1.517 4.707 -7.151 345 HD21 ASN 43 HD21 ASN 43 1.779 6.568 -8.989 346 HD22 ASN 43 HD22 ASN 43 3.429 7.037 -9.204 347 H TYR 44 H TYR 44 1.661 3.528 -5.314 348 HA TYR 44 HA TYR 44 3.909 4.336 -3.917 349 HB2 TYR 44 HB2 TYR 44 1.253 3.236 -3.075 350 HB3 TYR 44 HB3 TYR 44 2.499 3.516 -1.863 351 HD1 TYR 44 HD1 TYR 44 3.711 5.950 -2.292 352 HD2 TYR 44 HD2 TYR 44 -0.306 4.916 -3.244 353 HE1 TYR 44 HE1 TYR 44 3.080 8.325 -2.186 354 HE2 TYR 44 HE2 TYR 44 -0.946 7.288 -3.142 355 HH TYR 44 HH TYR 44 0.398 9.496 -1.706 356 H LEU 45 H LEU 45 2.491 1.098 -4.165 357 HA LEU 45 HA LEU 45 4.130 -0.231 -2.352 358 HB2 LEU 45 HB2 LEU 45 2.257 -1.381 -3.182 359 HB3 LEU 45 HB3 LEU 45 2.741 -1.123 -4.857 360 HG LEU 45 HG LEU 45 4.658 -2.681 -4.457 361 HD11 LEU 45 HD11 LEU 45 3.307 -2.881 -1.797 362 HD12 LEU 45 HD12 LEU 45 5.022 -2.723 -2.172 363 HD13 LEU 45 HD13 LEU 45 4.196 -4.254 -2.457 364 HD21 LEU 45 HD21 LEU 45 2.186 -3.225 -5.266 365 HD22 LEU 45 HD22 LEU 45 2.204 -4.214 -3.806 366 HD23 LEU 45 HD23 LEU 45 3.409 -4.480 -5.066 367 H GLU 46 H GLU 46 4.650 0.498 -5.772 368 HA GLU 46 HA GLU 46 7.071 -0.950 -6.028 369 HB2 GLU 46 HB2 GLU 46 5.698 1.178 -7.617 370 HB3 GLU 46 HB3 GLU 46 7.373 0.788 -7.985 371 HG2 GLU 46 HG2 GLU 46 6.865 -1.323 -8.732 372 HG3 GLU 46 HG3 GLU 46 5.380 -1.416 -7.786 373 H GLU 47 H GLU 47 6.300 2.287 -4.950 374 HA GLU 47 HA GLU 47 8.839 3.449 -5.114 375 HB2 GLU 47 HB2 GLU 47 6.680 3.975 -3.063 376 HB3 GLU 47 HB3 GLU 47 8.033 5.037 -3.426 377 HG2 GLU 47 HG2 GLU 47 7.059 4.930 -5.857 378 HG3 GLU 47 HG3 GLU 47 5.579 4.483 -5.009 379 H LEU 48 H LEU 48 7.451 1.257 -2.778 380 HA LEU 48 HA LEU 48 9.228 1.608 -0.655 381 HB2 LEU 48 HB2 LEU 48 7.658 -0.761 -1.620 382 HB3 LEU 48 HB3 LEU 48 8.692 -0.855 -0.196 383 HG LEU 48 HG LEU 48 6.788 1.373 -0.151 384 HD11 LEU 48 HD11 LEU 48 4.817 0.268 -0.184 385 HD12 LEU 48 HD12 LEU 48 5.518 -1.228 0.434 386 HD13 LEU 48 HD13 LEU 48 5.701 -0.805 -1.268 387 HD21 LEU 48 HD21 LEU 48 8.295 0.520 1.705 388 HD22 LEU 48 HD22 LEU 48 7.192 -0.851 1.831 389 HD23 LEU 48 HD23 LEU 48 6.601 0.787 2.121 390 H LYS 49 H LYS 49 9.484 -0.376 -3.564 391 HA LYS 49 HA LYS 49 11.955 -1.598 -2.789 392 HB2 LYS 49 HB2 LYS 49 10.705 -1.386 -5.533 393 HB3 LYS 49 HB3 LYS 49 12.000 -2.479 -5.066 394 HG2 LYS 49 HG2 LYS 49 10.293 -3.931 -4.857 395 HG3 LYS 49 HG3 LYS 49 10.161 -3.193 -3.259 396 HD2 LYS 49 HD2 LYS 49 8.315 -1.927 -3.856 397 HD3 LYS 49 HD3 LYS 49 8.688 -2.011 -5.579 398 HE2 LYS 49 HE2 LYS 49 8.013 -4.507 -4.081 399 HE3 LYS 49 HE3 LYS 49 6.722 -3.416 -4.585 400 HZ1 LYS 49 HZ1 LYS 49 8.070 -5.325 -6.119 401 HZ2 LYS 49 HZ2 LYS 49 8.447 -3.804 -6.754 402 HZ3 LYS 49 HZ3 LYS 49 6.831 -4.279 -6.604 403 H GLN 50 H GLN 50 11.026 1.283 -4.516 404 HA GLN 50 HA GLN 50 13.557 1.785 -5.720 405 HB2 GLN 50 HB2 GLN 50 11.293 3.685 -5.082 406 HB3 GLN 50 HB3 GLN 50 12.668 4.055 -6.116 407 HG2 GLN 50 HG2 GLN 50 10.405 2.159 -6.614 408 HG3 GLN 50 HG3 GLN 50 10.935 3.532 -7.585 409 HE21 GLN 50 HE21 GLN 50 10.863 0.278 -7.474 410 HE22 GLN 50 HE22 GLN 50 12.226 -0.089 -8.469 411 H LYS 51 H LYS 51 15.089 3.401 -5.150 412 HA LYS 51 HA LYS 51 15.419 3.653 -2.265 413 HB2 LYS 51 HB2 LYS 51 17.697 4.350 -2.775 414 HB3 LYS 51 HB3 LYS 51 17.312 2.854 -3.616 415 HG2 LYS 51 HG2 LYS 51 16.944 4.093 -5.680 416 HG3 LYS 51 HG3 LYS 51 17.298 5.606 -4.841 417 HD2 LYS 51 HD2 LYS 51 19.548 4.546 -4.251 418 HD3 LYS 51 HD3 LYS 51 19.160 3.331 -5.471 419 HE2 LYS 51 HE2 LYS 51 18.912 6.205 -6.201 420 HE3 LYS 51 HE3 LYS 51 20.527 5.512 -6.068 421 HZ1 LYS 51 HZ1 LYS 51 20.276 4.471 -7.996 422 HZ2 LYS 51 HZ2 LYS 51 18.860 5.364 -8.238 423 HZ3 LYS 51 HZ3 LYS 51 18.780 3.820 -7.549 424 H SER 52 H SER 52 13.712 5.337 -4.343 425 HA SER 52 HA SER 52 14.699 8.004 -3.796 426 HB2 SER 52 HB2 SER 52 12.414 6.878 -5.386 427 HB3 SER 52 HB3 SER 52 12.451 8.595 -4.984 428 HG SER 52 HG SER 52 14.639 8.545 -5.923 429 H ALA 53 H ALA 53 11.394 6.739 -3.463 430 HA ALA 53 HA ALA 53 10.825 8.513 -1.295 431 HB1 ALA 53 HB1 ALA 53 8.633 7.527 -1.284 432 HB2 ALA 53 HB2 ALA 53 9.135 7.780 -2.956 433 HB3 ALA 53 HB3 ALA 53 9.195 6.165 -2.253 434 H SER 54 H SER 54 10.839 8.151 0.852 435 HA SER 54 HA SER 54 12.221 5.842 1.840 436 HB2 SER 54 HB2 SER 54 11.771 8.448 2.753 437 HB3 SER 54 HB3 SER 54 10.923 7.415 3.904 438 HG SER 54 HG SER 54 13.584 6.909 3.088 439 H VAL 55 H VAL 55 11.421 4.359 3.425 440 HA VAL 55 HA VAL 55 9.061 3.085 2.783 441 HB VAL 55 HB VAL 55 10.856 3.008 5.152 442 HG11 VAL 55 HG11 VAL 55 8.891 2.885 6.392 443 HG12 VAL 55 HG12 VAL 55 8.034 1.999 5.129 444 HG13 VAL 55 HG13 VAL 55 9.280 1.194 6.082 445 HG21 VAL 55 HG21 VAL 55 9.839 0.560 3.874 446 HG22 VAL 55 HG22 VAL 55 10.757 1.639 2.823 447 HG23 VAL 55 HG23 VAL 55 11.488 1.018 4.302 448 HA PRO 56 HA PRO 56 6.871 5.267 6.501 449 HB2 PRO 56 HB2 PRO 56 8.159 7.369 7.639 450 HB3 PRO 56 HB3 PRO 56 8.369 5.701 8.188 451 HG2 PRO 56 HG2 PRO 56 10.116 7.340 6.391 452 HG3 PRO 56 HG3 PRO 56 10.578 6.256 7.717 453 HD2 PRO 56 HD2 PRO 56 10.721 5.519 5.115 454 HD3 PRO 56 HD3 PRO 56 10.357 4.366 6.416 455 H LEU 57 H LEU 57 8.638 6.932 4.055 456 HA LEU 57 HA LEU 57 6.986 9.300 4.086 457 HB2 LEU 57 HB2 LEU 57 9.488 8.876 3.249 458 HB3 LEU 57 HB3 LEU 57 8.642 8.630 1.723 459 HG LEU 57 HG LEU 57 8.115 11.107 3.306 460 HD11 LEU 57 HD11 LEU 57 9.961 12.216 2.094 461 HD12 LEU 57 HD12 LEU 57 10.509 10.636 1.537 462 HD13 LEU 57 HD13 LEU 57 10.522 11.016 3.259 463 HD21 LEU 57 HD21 LEU 57 6.865 11.490 1.510 464 HD22 LEU 57 HD22 LEU 57 7.494 10.054 0.702 465 HD23 LEU 57 HD23 LEU 57 8.349 11.591 0.561 466 H ILE 58 H ILE 58 7.121 6.258 2.373 467 HA ILE 58 HA ILE 58 5.218 7.040 0.359 468 HB ILE 58 HB ILE 58 6.232 4.296 1.111 469 HG12 ILE 58 HG12 ILE 58 7.001 5.740 -1.387 470 HG13 ILE 58 HG13 ILE 58 7.772 6.213 0.122 471 HG21 ILE 58 HG21 ILE 58 5.343 4.451 -1.578 472 HG22 ILE 58 HG22 ILE 58 4.713 3.455 -0.267 473 HG23 ILE 58 HG23 ILE 58 4.060 5.071 -0.541 474 HD11 ILE 58 HD11 ILE 58 7.832 3.521 -1.209 475 HD12 ILE 58 HD12 ILE 58 9.178 4.626 -0.926 476 HD13 ILE 58 HD13 ILE 58 8.406 3.810 0.434 477 H LEU 59 H LEU 59 5.139 4.728 3.075 478 HA LEU 59 HA LEU 59 2.428 4.094 2.905 479 HB2 LEU 59 HB2 LEU 59 4.342 4.106 5.222 480 HB3 LEU 59 HB3 LEU 59 2.681 3.538 5.371 481 HG LEU 59 HG LEU 59 4.670 2.356 3.441 482 HD11 LEU 59 HD11 LEU 59 3.941 1.414 6.211 483 HD12 LEU 59 HD12 LEU 59 5.498 2.078 5.716 484 HD13 LEU 59 HD13 LEU 59 4.943 0.541 5.051 485 HD21 LEU 59 HD21 LEU 59 3.110 0.543 3.288 486 HD22 LEU 59 HD22 LEU 59 2.243 2.048 2.981 487 HD23 LEU 59 HD23 LEU 59 2.094 1.247 4.546 488 H SER 60 H SER 60 4.040 6.850 4.292 489 HA SER 60 HA SER 60 1.934 7.780 5.928 490 HB2 SER 60 HB2 SER 60 4.078 8.705 6.336 491 HB3 SER 60 HB3 SER 60 4.295 9.151 4.643 492 HG SER 60 HG SER 60 2.805 10.404 6.647 493 H ARG 61 H ARG 61 3.010 9.017 2.757 494 HA ARG 61 HA ARG 61 0.724 10.623 2.352 495 HB2 ARG 61 HB2 ARG 61 3.045 9.749 0.744 496 HB3 ARG 61 HB3 ARG 61 1.616 10.205 -0.173 497 HG2 ARG 61 HG2 ARG 61 2.737 12.200 -0.048 498 HG3 ARG 61 HG3 ARG 61 1.658 12.322 1.344 499 HD2 ARG 61 HD2 ARG 61 3.479 11.528 2.797 500 HD3 ARG 61 HD3 ARG 61 4.550 11.466 1.398 501 HE ARG 61 HE ARG 61 3.538 14.040 1.511 502 HH11 ARG 61 HH11 ARG 61 5.487 11.950 3.499 503 HH12 ARG 61 HH12 ARG 61 6.378 13.250 4.221 504 HH21 ARG 61 HH21 ARG 61 4.705 15.760 2.453 505 HH22 ARG 61 HH22 ARG 61 5.931 15.416 3.625 506 H MET 62 H MET 62 1.547 7.337 1.352 507 HA MET 62 HA MET 62 -0.488 6.813 -0.435 508 HB2 MET 62 HB2 MET 62 1.311 5.231 0.006 509 HB3 MET 62 HB3 MET 62 0.702 4.957 1.633 510 HG2 MET 62 HG2 MET 62 -1.378 4.048 0.660 511 HG3 MET 62 HG3 MET 62 -0.671 4.235 -0.944 512 HE1 MET 62 HE1 MET 62 -0.996 0.880 1.471 513 HE2 MET 62 HE2 MET 62 0.235 1.624 2.491 514 HE3 MET 62 HE3 MET 62 -1.219 2.527 2.062 515 H ASN 63 H ASN 63 -0.563 6.247 3.087 516 HA ASN 63 HA ASN 63 -3.174 5.360 3.299 517 HB2 ASN 63 HB2 ASN 63 -1.407 5.441 5.119 518 HB3 ASN 63 HB3 ASN 63 -1.832 7.135 5.340 519 HD21 ASN 63 HD21 ASN 63 -2.381 4.093 6.427 520 HD22 ASN 63 HD22 ASN 63 -3.922 4.323 7.174 521 H LEU 64 H LEU 64 -1.947 8.679 3.290 522 HA LEU 64 HA LEU 64 -4.486 9.889 3.745 523 HB2 LEU 64 HB2 LEU 64 -2.020 11.095 2.502 524 HB3 LEU 64 HB3 LEU 64 -3.387 11.973 3.183 525 HG LEU 64 HG LEU 64 -1.862 10.130 4.957 526 HD11 LEU 64 HD11 LEU 64 0.072 11.170 4.643 527 HD12 LEU 64 HD12 LEU 64 -0.681 12.640 5.258 528 HD13 LEU 64 HD13 LEU 64 -0.663 12.319 3.525 529 HD21 LEU 64 HD21 LEU 64 -2.349 12.111 6.510 530 HD22 LEU 64 HD22 LEU 64 -3.708 11.110 5.997 531 HD23 LEU 64 HD23 LEU 64 -3.427 12.674 5.231 532 H ASP 65 H ASP 65 -2.947 8.560 0.992 533 HA ASP 65 HA ASP 65 -4.501 10.079 -0.925 534 HB2 ASP 65 HB2 ASP 65 -2.085 9.050 -1.186 535 HB3 ASP 65 HB3 ASP 65 -2.983 7.611 -1.664 536 H ILE 66 H ILE 66 -4.239 6.647 0.007 537 HA ILE 66 HA ILE 66 -6.369 5.693 -1.510 538 HB ILE 66 HB ILE 66 -5.490 4.656 1.187 539 HG12 ILE 66 HG12 ILE 66 -4.508 3.957 -1.589 540 HG13 ILE 66 HG13 ILE 66 -3.602 4.849 -0.370 541 HG21 ILE 66 HG21 ILE 66 -6.376 2.701 -0.748 542 HG22 ILE 66 HG22 ILE 66 -6.912 2.967 0.911 543 HG23 ILE 66 HG23 ILE 66 -7.632 3.891 -0.408 544 HD11 ILE 66 HD11 ILE 66 -3.511 2.912 1.045 545 HD12 ILE 66 HD12 ILE 66 -4.554 2.013 -0.058 546 HD13 ILE 66 HD13 ILE 66 -2.933 2.486 -0.566 547 H SER 67 H SER 67 -6.358 6.763 1.886 548 HA SER 67 HA SER 67 -9.037 6.325 2.461 549 HB2 SER 67 HB2 SER 67 -7.056 7.140 3.974 550 HB3 SER 67 HB3 SER 67 -7.641 8.749 3.549 551 HG SER 67 HG SER 67 -8.866 6.742 5.065 552 H LYS 68 H LYS 68 -7.498 9.008 0.797 553 HA LYS 68 HA LYS 68 -9.808 10.678 0.738 554 HB2 LYS 68 HB2 LYS 68 -7.078 10.743 -0.315 555 HB3 LYS 68 HB3 LYS 68 -8.255 11.472 -1.400 556 HG2 LYS 68 HG2 LYS 68 -8.976 12.988 0.334 557 HG3 LYS 68 HG3 LYS 68 -7.903 12.209 1.498 558 HD2 LYS 68 HD2 LYS 68 -6.102 12.808 -0.373 559 HD3 LYS 68 HD3 LYS 68 -7.276 14.080 -0.719 560 HE2 LYS 68 HE2 LYS 68 -7.210 14.668 1.719 561 HE3 LYS 68 HE3 LYS 68 -5.871 13.534 1.892 562 HZ1 LYS 68 HZ1 LYS 68 -5.872 16.198 0.850 563 HZ2 LYS 68 HZ2 LYS 68 -5.142 15.103 -0.212 564 HZ3 LYS 68 HZ3 LYS 68 -4.574 15.246 1.375 565 H ALA 69 H ALA 69 -8.366 8.366 -1.517 566 HA ALA 69 HA ALA 69 -10.004 8.839 -3.724 567 HB1 ALA 69 HB1 ALA 69 -8.856 7.159 -4.637 568 HB2 ALA 69 HB2 ALA 69 -7.965 7.088 -3.116 569 HB3 ALA 69 HB3 ALA 69 -9.351 6.028 -3.377 570 H ILE 70 H ILE 70 -10.736 7.400 -0.699 571 HA ILE 70 HA ILE 70 -12.859 5.705 -1.451 572 HB ILE 70 HB ILE 70 -12.667 7.184 1.167 573 HG12 ILE 70 HG12 ILE 70 -11.229 4.685 0.259 574 HG13 ILE 70 HG13 ILE 70 -10.501 6.199 0.786 575 HG21 ILE 70 HG21 ILE 70 -14.735 5.862 0.580 576 HG22 ILE 70 HG22 ILE 70 -13.719 4.421 0.614 577 HG23 ILE 70 HG23 ILE 70 -13.922 5.392 2.072 578 HD11 ILE 70 HD11 ILE 70 -11.578 5.779 3.030 579 HD12 ILE 70 HD12 ILE 70 -11.936 4.155 2.444 580 HD13 ILE 70 HD13 ILE 70 -10.263 4.696 2.574 581 H ARG 71 H ARG 71 -13.199 8.793 0.295 582 HA ARG 71 HA ARG 71 -15.907 9.134 -0.365 583 HB2 ARG 71 HB2 ARG 71 -15.548 11.499 0.371 584 HB3 ARG 71 HB3 ARG 71 -15.001 10.292 1.526 585 HG2 ARG 71 HG2 ARG 71 -12.722 10.685 0.161 586 HG3 ARG 71 HG3 ARG 71 -13.466 12.275 -0.016 587 HD2 ARG 71 HD2 ARG 71 -12.533 12.695 1.982 588 HD3 ARG 71 HD3 ARG 71 -13.894 11.774 2.621 589 HE ARG 71 HE ARG 71 -11.750 10.050 1.949 590 HH11 ARG 71 HH11 ARG 71 -12.761 12.378 4.331 591 HH12 ARG 71 HH12 ARG 71 -11.819 11.677 5.606 592 HH21 ARG 71 HH21 ARG 71 -10.506 9.119 3.618 593 HH22 ARG 71 HH22 ARG 71 -10.535 9.824 5.198 594 H ASN 72 H ASN 72 -12.977 10.572 -1.775 595 HA ASN 72 HA ASN 72 -14.172 12.231 -3.648 596 HB2 ASN 72 HB2 ASN 72 -11.535 10.834 -3.492 597 HB3 ASN 72 HB3 ASN 72 -11.982 11.622 -5.001 598 HD21 ASN 72 HD21 ASN 72 -11.673 12.177 -1.530 599 HD22 ASN 72 HD22 ASN 72 -11.244 13.846 -1.655 600 H ASP 73 H ASP 73 -12.544 9.256 -4.684 601 HA ASP 73 HA ASP 73 -13.899 8.986 -7.085 602 HB2 ASP 73 HB2 ASP 73 -11.820 7.719 -6.126 603 HB3 ASP 73 HB3 ASP 73 -13.018 6.552 -5.572 604 H GLY 74 H GLY 74 -14.583 7.320 -4.005 605 HA2 GLY 74 HA2 GLY 74 -16.926 7.198 -3.292 606 HA3 GLY 74 HA3 GLY 74 -17.345 6.925 -4.977 607 H VAL 75 H VAL 75 -14.510 5.320 -4.078 608 HA VAL 75 HA VAL 75 -15.880 2.762 -4.201 609 HB VAL 75 HB VAL 75 -12.926 3.374 -4.020 610 HG11 VAL 75 HG11 VAL 75 -13.045 0.921 -5.091 611 HG12 VAL 75 HG12 VAL 75 -12.903 1.209 -3.356 612 HG13 VAL 75 HG13 VAL 75 -14.480 0.860 -4.067 613 HG21 VAL 75 HG21 VAL 75 -13.609 4.204 -6.091 614 HG22 VAL 75 HG22 VAL 75 -13.053 2.571 -6.459 615 HG23 VAL 75 HG23 VAL 75 -14.779 2.906 -6.332 616 H THR 76 H THR 76 -16.208 1.410 -2.537 617 HA THR 76 HA THR 76 -15.323 2.295 0.118 618 HB THR 76 HB THR 76 -17.466 0.279 -0.584 619 HG1 THR 76 HG1 THR 76 -18.382 2.162 -1.118 620 HG21 THR 76 HG21 THR 76 -17.854 1.371 1.976 621 HG22 THR 76 HG22 THR 76 -16.145 0.944 1.882 622 HG23 THR 76 HG23 THR 76 -17.378 -0.278 1.572 623 H LEU 77 H LEU 77 -13.859 1.178 1.240 624 HA LEU 77 HA LEU 77 -12.581 -1.100 0.073 625 HB2 LEU 77 HB2 LEU 77 -12.211 -0.012 2.856 626 HB3 LEU 77 HB3 LEU 77 -11.086 -1.012 1.938 627 HG LEU 77 HG LEU 77 -11.812 1.633 0.801 628 HD11 LEU 77 HD11 LEU 77 -10.030 2.698 2.173 629 HD12 LEU 77 HD12 LEU 77 -10.029 1.265 3.200 630 HD13 LEU 77 HD13 LEU 77 -11.476 2.265 3.084 631 HD21 LEU 77 HD21 LEU 77 -9.323 1.535 0.309 632 HD22 LEU 77 HD22 LEU 77 -10.336 0.335 -0.495 633 HD23 LEU 77 HD23 LEU 77 -9.374 -0.122 0.912 634 H SER 78 H SER 78 -12.667 -3.221 0.667 635 HA SER 78 HA SER 78 -15.030 -4.106 2.015 636 HB2 SER 78 HB2 SER 78 -12.688 -5.482 0.731 637 HB3 SER 78 HB3 SER 78 -13.831 -6.403 1.708 638 HG SER 78 HG SER 78 -15.363 -6.092 0.247 639 H ASP 79 H ASP 79 -14.769 -5.959 3.676 640 HA ASP 79 HA ASP 79 -13.870 -4.925 6.071 641 HB2 ASP 79 HB2 ASP 79 -14.422 -7.737 5.166 642 HB3 ASP 79 HB3 ASP 79 -13.838 -7.418 6.797 643 H TYR 80 H TYR 80 -12.270 -7.545 4.247 644 HA TYR 80 HA TYR 80 -9.947 -7.647 5.770 645 HB2 TYR 80 HB2 TYR 80 -8.920 -8.760 3.832 646 HB3 TYR 80 HB3 TYR 80 -10.541 -9.374 4.141 647 HD1 TYR 80 HD2 TYR 80 -12.385 -8.835 2.616 648 HD2 TYR 80 HD1 TYR 80 -8.412 -7.537 1.819 649 HE1 TYR 80 HE2 TYR 80 -13.013 -8.357 0.287 650 HE2 TYR 80 HE1 TYR 80 -9.030 -7.056 -0.512 651 HH TYR 80 HH TYR 80 -10.868 -6.689 -1.891 652 H GLN 81 H GLN 81 -10.773 -5.600 3.024 653 HA GLN 81 HA GLN 81 -8.252 -4.508 2.519 654 HB2 GLN 81 HB2 GLN 81 -11.058 -3.577 2.065 655 HB3 GLN 81 HB3 GLN 81 -9.729 -2.460 1.783 656 HG2 GLN 81 HG2 GLN 81 -8.817 -4.568 0.418 657 HG3 GLN 81 HG3 GLN 81 -10.549 -4.857 0.273 658 HE21 GLN 81 HE21 GLN 81 -8.783 -4.236 -1.855 659 HE22 GLN 81 HE22 GLN 81 -9.283 -2.727 -2.530 660 H SER 82 H SER 82 -10.864 -2.674 4.088 661 HA SER 82 HA SER 82 -9.312 -0.708 5.212 662 HB2 SER 82 HB2 SER 82 -11.740 -0.574 5.200 663 HB3 SER 82 HB3 SER 82 -11.849 -1.929 6.324 664 HG SER 82 HG SER 82 -11.651 0.625 6.911 665 H LYS 83 H LYS 83 -9.889 -3.955 6.379 666 HA LYS 83 HA LYS 83 -8.859 -3.603 8.992 667 HB2 LYS 83 HB2 LYS 83 -9.391 -5.959 7.226 668 HB3 LYS 83 HB3 LYS 83 -8.453 -6.186 8.696 669 HG2 LYS 83 HG2 LYS 83 -10.293 -5.282 10.019 670 HG3 LYS 83 HG3 LYS 83 -11.236 -5.044 8.544 671 HD2 LYS 83 HD2 LYS 83 -11.324 -7.401 8.141 672 HD3 LYS 83 HD3 LYS 83 -10.178 -7.720 9.446 673 HE2 LYS 83 HE2 LYS 83 -12.775 -6.334 9.994 674 HE3 LYS 83 HE3 LYS 83 -12.707 -8.091 9.862 675 HZ1 LYS 83 HZ1 LYS 83 -11.644 -8.281 11.816 676 HZ2 LYS 83 HZ2 LYS 83 -12.304 -6.757 12.133 677 HZ3 LYS 83 HZ3 LYS 83 -10.709 -6.889 11.586 678 H LYS 84 H LYS 84 -7.382 -4.822 5.996 679 HA LYS 84 HA LYS 84 -4.829 -5.304 7.082 680 HB2 LYS 84 HB2 LYS 84 -4.176 -5.813 4.940 681 HB3 LYS 84 HB3 LYS 84 -5.920 -5.967 4.771 682 HG2 LYS 84 HG2 LYS 84 -5.601 -4.657 2.980 683 HG3 LYS 84 HG3 LYS 84 -5.613 -3.358 4.175 684 HD2 LYS 84 HD2 LYS 84 -3.085 -3.744 4.344 685 HD3 LYS 84 HD3 LYS 84 -3.257 -4.670 2.851 686 HE2 LYS 84 HE2 LYS 84 -4.654 -2.242 2.492 687 HE3 LYS 84 HE3 LYS 84 -3.095 -1.839 3.208 688 HZ1 LYS 84 HZ1 LYS 84 -1.965 -2.578 1.401 689 HZ2 LYS 84 HZ2 LYS 84 -3.396 -2.116 0.625 690 HZ3 LYS 84 HZ3 LYS 84 -3.120 -3.745 0.991 691 H LEU 85 H LEU 85 -6.432 -2.401 6.238 692 HA LEU 85 HA LEU 85 -4.177 -0.788 5.644 693 HB2 LEU 85 HB2 LEU 85 -6.774 -0.404 5.347 694 HB3 LEU 85 HB3 LEU 85 -6.602 0.373 6.920 695 HG LEU 85 HG LEU 85 -4.682 1.692 5.703 696 HD11 LEU 85 HD11 LEU 85 -4.527 0.809 3.597 697 HD12 LEU 85 HD12 LEU 85 -5.665 2.124 3.307 698 HD13 LEU 85 HD13 LEU 85 -6.254 0.472 3.489 699 HD21 LEU 85 HD21 LEU 85 -6.181 3.227 6.292 700 HD22 LEU 85 HD22 LEU 85 -7.525 2.108 6.065 701 HD23 LEU 85 HD23 LEU 85 -6.895 3.020 4.693 702 H LYS 86 H LYS 86 -5.801 -1.690 8.620 703 HA LYS 86 HA LYS 86 -4.457 0.195 10.283 704 HB2 LYS 86 HB2 LYS 86 -5.513 -0.856 12.090 705 HB3 LYS 86 HB3 LYS 86 -6.640 -1.076 10.758 706 HG2 LYS 86 HG2 LYS 86 -6.661 -3.223 11.336 707 HG3 LYS 86 HG3 LYS 86 -5.062 -3.317 10.595 708 HD2 LYS 86 HD2 LYS 86 -4.253 -2.497 12.945 709 HD3 LYS 86 HD3 LYS 86 -5.813 -3.126 13.480 710 HE2 LYS 86 HE2 LYS 86 -3.946 -4.772 11.804 711 HE3 LYS 86 HE3 LYS 86 -3.782 -4.695 13.559 712 HZ1 LYS 86 HZ1 LYS 86 -5.111 -6.585 12.924 713 HZ2 LYS 86 HZ2 LYS 86 -6.183 -5.600 12.062 714 HZ3 LYS 86 HZ3 LYS 86 -6.082 -5.469 13.746 715 H GLU 87 H GLU 87 -3.381 -2.533 8.684 716 HA GLU 87 HA GLU 87 -1.610 -3.630 10.609 717 HB2 GLU 87 HB2 GLU 87 -1.553 -3.741 7.589 718 HB3 GLU 87 HB3 GLU 87 -0.513 -4.694 8.639 719 HG2 GLU 87 HG2 GLU 87 -2.519 -5.736 9.624 720 HG3 GLU 87 HG3 GLU 87 -3.515 -4.836 8.482 721 H LEU 88 H LEU 88 -0.583 -2.059 7.593 722 HA LEU 88 HA LEU 88 1.927 -1.298 8.652 723 HB2 LEU 88 HB2 LEU 88 1.986 0.164 6.555 724 HB3 LEU 88 HB3 LEU 88 1.890 -1.583 6.349 725 HG LEU 88 HG LEU 88 0.440 -0.018 4.866 726 HD11 LEU 88 HD11 LEU 88 -1.458 -1.951 5.711 727 HD12 LEU 88 HD12 LEU 88 0.150 -2.666 5.836 728 HD13 LEU 88 HD13 LEU 88 -0.397 -1.988 4.302 729 HD21 LEU 88 HD21 LEU 88 -1.698 0.571 5.750 730 HD22 LEU 88 HD22 LEU 88 -0.470 1.227 6.833 731 HD23 LEU 88 HD23 LEU 88 -1.350 -0.236 7.280 732 H THR 89 H THR 89 -1.056 -0.081 9.310 733 HA THR 89 HA THR 89 -0.691 2.706 9.240 734 HB THR 89 HB THR 89 -2.814 1.174 9.798 735 HG1 THR 89 HG1 THR 89 -3.255 3.246 9.369 736 HG21 THR 89 HG21 THR 89 -1.720 0.632 12.054 737 HG22 THR 89 HG22 THR 89 -3.411 1.134 12.067 738 HG23 THR 89 HG23 THR 89 -2.147 2.281 12.510 739 H SER 90 H SER 90 0.469 0.278 11.415 740 HA SER 90 HA SER 90 1.035 2.056 13.593 741 HB2 SER 90 HB2 SER 90 2.045 0.181 14.659 742 HB3 SER 90 HB3 SER 90 0.658 -0.454 13.775 743 HG SER 90 HG SER 90 2.221 -1.792 13.158 744 H ILE 91 H ILE 91 2.969 0.504 11.052 745 HA ILE 91 HA ILE 91 5.451 1.583 11.837 746 HB ILE 91 HB ILE 91 4.614 0.787 9.046 747 HG12 ILE 91 HG12 ILE 91 5.940 -0.914 11.166 748 HG13 ILE 91 HG13 ILE 91 4.221 -0.973 10.790 749 HG21 ILE 91 HG21 ILE 91 7.061 0.293 8.819 750 HG22 ILE 91 HG22 ILE 91 6.660 2.002 8.979 751 HG23 ILE 91 HG23 ILE 91 7.303 1.115 10.361 752 HD11 ILE 91 HD11 ILE 91 6.463 -1.613 8.888 753 HD12 ILE 91 HD12 ILE 91 5.429 -2.781 9.711 754 HD13 ILE 91 HD13 ILE 91 4.739 -1.681 8.518 755 H SER 92 H SER 92 2.982 2.719 9.571 756 HA SER 92 HA SER 92 4.478 4.970 8.670 757 HB2 SER 92 HB2 SER 92 2.465 3.805 7.533 758 HB3 SER 92 HB3 SER 92 1.472 4.804 8.594 759 HG SER 92 HG SER 92 2.787 6.609 7.705 760 H ASN 93 H ASN 93 2.678 4.311 11.493 761 HA ASN 93 HA ASN 93 2.101 5.553 13.309 762 HB2 ASN 93 HB2 ASN 93 4.118 7.494 12.155 763 HB3 ASN 93 HB3 ASN 93 3.469 7.553 13.791 764 HD21 ASN 93 HD21 ASN 93 6.153 6.895 12.301 765 HD22 ASN 93 HD22 ASN 93 6.754 5.558 13.215 766 H ILE 94 H ILE 94 0.179 5.685 11.542 767 HA ILE 94 HA ILE 94 -0.423 8.414 10.782 768 HB ILE 94 HB ILE 94 -2.283 6.049 10.613 769 HG12 ILE 94 HG12 ILE 94 -0.182 5.457 9.508 770 HG13 ILE 94 HG13 ILE 94 -1.450 5.723 8.317 771 HG21 ILE 94 HG21 ILE 94 -2.570 7.812 8.445 772 HG22 ILE 94 HG22 ILE 94 -3.685 7.556 9.785 773 HG23 ILE 94 HG23 ILE 94 -2.455 8.815 9.891 774 HD11 ILE 94 HD11 ILE 94 0.857 7.513 9.001 775 HD12 ILE 94 HD12 ILE 94 0.483 6.742 7.459 776 HD13 ILE 94 HD13 ILE 94 -0.527 8.058 8.055 777 H ARG 95 H ARG 95 -0.145 8.662 13.353 778 HA ARG 95 HA ARG 95 -2.169 8.005 15.113 779 HB2 ARG 95 HB2 ARG 95 -0.330 10.376 14.949 780 HB3 ARG 95 HB3 ARG 95 -1.531 10.254 16.227 781 HG2 ARG 95 HG2 ARG 95 -0.487 7.913 16.633 782 HG3 ARG 95 HG3 ARG 95 0.882 8.570 15.735 783 HD2 ARG 95 HD2 ARG 95 -0.313 9.589 18.301 784 HD3 ARG 95 HD3 ARG 95 1.312 8.957 18.038 785 HE ARG 95 HE ARG 95 1.186 11.103 16.384 786 HH11 ARG 95 HH11 ARG 95 0.566 10.630 19.776 787 HH12 ARG 95 HH12 ARG 95 1.029 12.240 20.219 788 HH21 ARG 95 HH21 ARG 95 1.798 13.225 16.953 789 HH22 ARG 95 HH22 ARG 95 1.728 13.715 18.612 790 H TYR 96 H TYR 96 -2.102 10.479 12.644 791 HA TYR 96 HA TYR 96 -4.276 12.029 13.492 792 HB2 TYR 96 HB2 TYR 96 -2.919 11.554 10.877 793 HB3 TYR 96 HB3 TYR 96 -4.473 12.380 10.871 794 HD1 TYR 96 HD2 TYR 96 -4.529 14.206 12.971 795 HD2 TYR 96 HD1 TYR 96 -1.131 12.990 10.717 796 HE1 TYR 96 HE2 TYR 96 -3.409 16.324 13.527 797 HE2 TYR 96 HE1 TYR 96 -0.003 15.105 11.267 798 HH TYR 96 HH TYR 96 -1.663 17.725 12.820 799 H GLY 97 H GLY 97 -6.403 11.682 13.530 800 HA2 GLY 97 HA2 GLY 97 -7.461 9.126 12.803 801 HA3 GLY 97 HA3 GLY 97 -8.375 10.493 13.422 802 H TYR 98 H TYR 98 -8.172 12.416 11.623 803 HA TYR 98 HA TYR 98 -9.790 11.479 9.475 804 HB2 TYR 98 HB2 TYR 98 -8.477 14.185 9.777 805 HB3 TYR 98 HB3 TYR 98 -9.848 13.791 8.747 806 HD1 TYR 98 HD1 TYR 98 -8.747 14.392 12.192 807 HD2 TYR 98 HD2 TYR 98 -12.066 13.509 9.680 808 HE1 TYR 98 HE1 TYR 98 -10.281 14.962 14.029 809 HE2 TYR 98 HE2 TYR 98 -13.609 14.077 11.510 810 HH TYR 98 HH TYR 98 -13.724 14.393 13.789 Start of MODEL 4 1 H1 MET 1 H MET 1 26.298 -4.023 -0.606 2 HA MET 1 HA MET 1 28.213 -1.889 -0.082 3 HB2 MET 1 HB2 MET 1 26.941 -3.013 -2.555 4 HB3 MET 1 HB3 MET 1 27.700 -1.428 -2.596 5 HG2 MET 1 HG2 MET 1 29.405 -2.804 -3.288 6 HG3 MET 1 HG3 MET 1 29.734 -2.641 -1.565 7 HE1 MET 1 HE1 MET 1 28.330 -6.352 -3.827 8 HE2 MET 1 HE2 MET 1 27.939 -4.685 -4.249 9 HE3 MET 1 HE3 MET 1 29.602 -5.261 -4.376 10 H GLY 2 H GLY 2 27.672 0.178 0.266 11 HA2 GLY 2 HA2 GLY 2 26.290 2.098 -0.284 12 HA3 GLY 2 HA3 GLY 2 24.910 1.011 -0.355 13 H LYS 3 H LYS 3 25.643 3.486 1.279 14 HA LYS 3 HA LYS 3 25.420 2.385 3.982 15 HB2 LYS 3 HB2 LYS 3 26.118 5.093 2.887 16 HB3 LYS 3 HB3 LYS 3 25.631 4.906 4.566 17 HG2 LYS 3 HG2 LYS 3 27.884 3.346 3.335 18 HG3 LYS 3 HG3 LYS 3 28.106 4.908 4.127 19 HD2 LYS 3 HD2 LYS 3 26.987 3.900 6.154 20 HD3 LYS 3 HD3 LYS 3 27.116 2.337 5.345 21 HE2 LYS 3 HE2 LYS 3 29.520 2.528 5.272 22 HE3 LYS 3 HE3 LYS 3 29.445 4.161 5.932 23 HZ1 LYS 3 HZ1 LYS 3 28.091 2.650 7.749 24 HZ2 LYS 3 HZ2 LYS 3 29.686 3.191 7.904 25 HZ3 LYS 3 HZ3 LYS 3 29.373 1.645 7.293 26 H LEU 4 H LEU 4 23.254 1.675 3.853 27 HA LEU 4 HA LEU 4 21.166 3.600 3.285 28 HB2 LEU 4 HB2 LEU 4 21.155 0.704 4.086 29 HB3 LEU 4 HB3 LEU 4 19.676 1.653 3.953 30 HG LEU 4 HG LEU 4 21.561 1.412 1.634 31 HD11 LEU 4 HD11 LEU 4 21.081 -0.724 1.294 32 HD12 LEU 4 HD12 LEU 4 19.354 -0.386 1.397 33 HD13 LEU 4 HD13 LEU 4 20.265 -0.769 2.857 34 HD21 LEU 4 HD21 LEU 4 19.368 2.942 2.003 35 HD22 LEU 4 HD22 LEU 4 18.636 1.494 1.314 36 HD23 LEU 4 HD23 LEU 4 19.903 2.348 0.432 37 H LYS 5 H LYS 5 19.255 3.603 4.891 38 HA LYS 5 HA LYS 5 20.269 3.773 7.649 39 HB2 LYS 5 HB2 LYS 5 18.891 5.835 6.008 40 HB3 LYS 5 HB3 LYS 5 18.435 5.722 7.703 41 HG2 LYS 5 HG2 LYS 5 21.326 5.826 7.019 42 HG3 LYS 5 HG3 LYS 5 20.372 7.307 6.905 43 HD2 LYS 5 HD2 LYS 5 19.727 7.140 9.211 44 HD3 LYS 5 HD3 LYS 5 20.472 5.545 9.351 45 HE2 LYS 5 HE2 LYS 5 22.630 6.822 8.603 46 HE3 LYS 5 HE3 LYS 5 21.753 8.237 9.185 47 HZ1 LYS 5 HZ1 LYS 5 21.503 6.248 11.116 48 HZ2 LYS 5 HZ2 LYS 5 22.362 7.700 11.227 49 HZ3 LYS 5 HZ3 LYS 5 23.137 6.300 10.679 50 H TRP 6 H TRP 6 18.213 4.195 9.145 51 HA TRP 6 HA TRP 6 16.438 3.177 10.144 52 HB2 TRP 6 HB2 TRP 6 15.317 2.908 7.354 53 HB3 TRP 6 HB3 TRP 6 14.422 3.046 8.865 54 HD1 TRP 6 HD1 TRP 6 14.369 5.502 10.029 55 HE1 TRP 6 HE1 TRP 6 14.598 7.850 8.998 56 HE3 TRP 6 HE3 TRP 6 16.450 4.218 5.539 57 HZ2 TRP 6 HZ2 TRP 6 15.536 9.004 6.599 58 HZ3 TRP 6 HZ3 TRP 6 16.982 6.004 3.932 59 HH2 TRP 6 HH2 TRP 6 16.534 8.347 4.454 60 H PHE 7 H PHE 7 18.654 1.492 9.201 61 HA PHE 7 HA PHE 7 17.385 -0.998 8.413 62 HB2 PHE 7 HB2 PHE 7 19.704 -0.096 7.635 63 HB3 PHE 7 HB3 PHE 7 20.278 -0.742 9.169 64 HD1 PHE 7 HD2 PHE 7 18.615 -1.648 5.994 65 HD2 PHE 7 HD1 PHE 7 20.682 -3.036 9.446 66 HE1 PHE 7 HE2 PHE 7 18.805 -3.880 4.979 67 HE2 PHE 7 HE1 PHE 7 20.876 -5.270 8.436 68 HZ PHE 7 HZ PHE 7 19.936 -5.695 6.199 69 H SER 8 H SER 8 19.092 0.352 11.201 70 HA SER 8 HA SER 8 19.040 -2.009 12.764 71 HB2 SER 8 HB2 SER 8 19.543 -0.485 14.666 72 HB3 SER 8 HB3 SER 8 20.598 -0.216 13.279 73 HG SER 8 HG SER 8 19.253 1.598 14.494 74 H GLY 9 H GLY 9 17.328 -2.989 13.599 75 HA2 GLY 9 HA2 GLY 9 15.494 -2.931 15.167 76 HA3 GLY 9 HA3 GLY 9 15.095 -1.327 14.570 77 H GLY 10 H GLY 10 15.384 -4.686 13.407 78 HA2 GLY 10 HA2 GLY 10 13.949 -5.934 12.111 79 HA3 GLY 10 HA3 GLY 10 12.725 -4.704 12.393 80 H LYS 11 H LYS 11 15.344 -5.731 10.318 81 HA LYS 11 HA LYS 11 15.018 -3.549 8.467 82 HB2 LYS 11 HB2 LYS 11 16.682 -4.684 7.122 83 HB3 LYS 11 HB3 LYS 11 17.197 -4.674 8.803 84 HG2 LYS 11 HG2 LYS 11 16.123 -7.018 8.907 85 HG3 LYS 11 HG3 LYS 11 16.215 -6.960 7.146 86 HD2 LYS 11 HD2 LYS 11 18.534 -6.912 7.141 87 HD3 LYS 11 HD3 LYS 11 18.625 -6.316 8.799 88 HE2 LYS 11 HE2 LYS 11 17.419 -8.994 8.312 89 HE3 LYS 11 HE3 LYS 11 19.171 -8.829 8.201 90 HZ1 LYS 11 HZ1 LYS 11 18.209 -7.527 10.521 91 HZ2 LYS 11 HZ2 LYS 11 19.315 -8.802 10.397 92 HZ3 LYS 11 HZ3 LYS 11 17.657 -9.126 10.495 93 H GLU 12 H GLU 12 13.962 -6.893 8.716 94 HA GLU 12 HA GLU 12 12.863 -7.009 6.077 95 HB2 GLU 12 HB2 GLU 12 12.677 -8.756 8.512 96 HB3 GLU 12 HB3 GLU 12 11.652 -9.055 7.116 97 HG2 GLU 12 HG2 GLU 12 13.400 -9.705 5.792 98 HG3 GLU 12 HG3 GLU 12 14.581 -8.765 6.701 99 H ARG 13 H ARG 13 11.926 -5.360 8.787 100 HA ARG 13 HA ARG 13 9.112 -5.752 8.745 101 HB2 ARG 13 HB2 ARG 13 10.845 -3.545 9.853 102 HB3 ARG 13 HB3 ARG 13 9.095 -3.562 10.027 103 HG2 ARG 13 HG2 ARG 13 10.560 -5.990 10.874 104 HG3 ARG 13 HG3 ARG 13 10.731 -4.545 11.872 105 HD2 ARG 13 HD2 ARG 13 8.880 -5.432 12.851 106 HD3 ARG 13 HD3 ARG 13 8.095 -4.498 11.579 107 HE ARG 13 HE ARG 13 8.608 -7.013 10.531 108 HH11 ARG 13 HH11 ARG 13 6.723 -5.622 13.107 109 HH12 ARG 13 HH12 ARG 13 5.502 -6.850 13.052 110 HH21 ARG 13 HH21 ARG 13 7.007 -8.636 10.450 111 HH22 ARG 13 HH22 ARG 13 5.665 -8.564 11.540 112 H SER 14 H SER 14 11.307 -3.734 6.955 113 HA SER 14 HA SER 14 9.340 -1.910 5.971 114 HB2 SER 14 HB2 SER 14 11.218 -1.489 4.214 115 HB3 SER 14 HB3 SER 14 11.506 -1.040 5.895 116 HG SER 14 HG SER 14 13.249 -2.206 5.515 117 H ASN 15 H ASN 15 10.560 -5.017 4.968 118 HA ASN 15 HA ASN 15 9.493 -4.907 2.314 119 HB2 ASN 15 HB2 ASN 15 11.107 -6.715 3.866 120 HB3 ASN 15 HB3 ASN 15 9.806 -7.606 3.079 121 HD21 ASN 15 HD21 ASN 15 11.898 -4.874 2.198 122 HD22 ASN 15 HD22 ASN 15 12.400 -5.532 0.681 123 H GLN 16 H GLN 16 8.222 -5.612 5.420 124 HA GLN 16 HA GLN 16 6.158 -7.389 4.799 125 HB2 GLN 16 HB2 GLN 16 6.818 -6.825 7.098 126 HB3 GLN 16 HB3 GLN 16 6.183 -5.200 6.882 127 HG2 GLN 16 HG2 GLN 16 4.295 -5.974 7.751 128 HG3 GLN 16 HG3 GLN 16 4.047 -6.792 6.209 129 HE21 GLN 16 HE21 GLN 16 3.820 -7.285 9.351 130 HE22 GLN 16 HE22 GLN 16 4.237 -8.957 9.460 131 H ALA 17 H ALA 17 6.077 -3.831 4.974 132 HA ALA 17 HA ALA 17 3.444 -3.404 4.282 133 HB1 ALA 17 HB1 ALA 17 4.231 -1.217 3.356 134 HB2 ALA 17 HB2 ALA 17 4.798 -1.573 4.988 135 HB3 ALA 17 HB3 ALA 17 5.886 -1.772 3.613 136 H GLU 18 H GLU 18 6.229 -3.693 2.081 137 HA GLU 18 HA GLU 18 4.900 -3.317 -0.323 138 HB2 GLU 18 HB2 GLU 18 7.345 -3.438 -0.127 139 HB3 GLU 18 HB3 GLU 18 7.234 -5.155 0.234 140 HG2 GLU 18 HG2 GLU 18 5.908 -5.083 -2.104 141 HG3 GLU 18 HG3 GLU 18 7.026 -3.739 -2.336 142 H ASN 19 H ASN 19 5.316 -6.276 1.569 143 HA ASN 19 HA ASN 19 4.137 -8.031 -0.300 144 HB2 ASN 19 HB2 ASN 19 4.677 -8.160 2.649 145 HB3 ASN 19 HB3 ASN 19 3.719 -9.420 1.877 146 HD21 ASN 19 HD21 ASN 19 6.373 -9.500 3.142 147 HD22 ASN 19 HD22 ASN 19 7.438 -10.147 1.945 148 H ILE 20 H ILE 20 2.807 -6.203 2.422 149 HA ILE 20 HA ILE 20 0.218 -7.258 2.391 150 HB ILE 20 HB ILE 20 1.082 -4.461 3.136 151 HG12 ILE 20 HG12 ILE 20 0.542 -6.786 4.981 152 HG13 ILE 20 HG13 ILE 20 2.147 -6.448 4.342 153 HG21 ILE 20 HG21 ILE 20 -1.314 -4.582 2.733 154 HG22 ILE 20 HG22 ILE 20 -1.440 -5.968 3.815 155 HG23 ILE 20 HG23 ILE 20 -0.983 -4.389 4.454 156 HD11 ILE 20 HD11 ILE 20 2.409 -4.581 5.618 157 HD12 ILE 20 HD12 ILE 20 0.677 -4.254 5.699 158 HD13 ILE 20 HD13 ILE 20 1.379 -5.541 6.680 159 H ILE 21 H ILE 21 1.412 -4.260 0.871 160 HA ILE 21 HA ILE 21 -0.889 -3.453 -0.401 161 HB ILE 21 HB ILE 21 1.926 -3.257 -1.478 162 HG12 ILE 21 HG12 ILE 21 0.308 -1.287 0.152 163 HG13 ILE 21 HG13 ILE 21 1.610 -2.290 0.783 164 HG21 ILE 21 HG21 ILE 21 0.315 -1.064 -2.252 165 HG22 ILE 21 HG22 ILE 21 1.063 -2.289 -3.276 166 HG23 ILE 21 HG23 ILE 21 -0.566 -2.540 -2.648 167 HD11 ILE 21 HD11 ILE 21 3.200 -1.168 -0.656 168 HD12 ILE 21 HD12 ILE 21 1.905 -0.199 -1.359 169 HD13 ILE 21 HD13 ILE 21 2.333 -0.001 0.341 170 H THR 22 H THR 22 1.545 -5.750 -1.577 171 HA THR 22 HA THR 22 0.414 -6.209 -4.104 172 HB THR 22 HB THR 22 2.028 -8.140 -2.429 173 HG1 THR 22 HG1 THR 22 3.679 -6.927 -2.936 174 HG21 THR 22 HG21 THR 22 1.350 -9.512 -4.115 175 HG22 THR 22 HG22 THR 22 2.688 -8.725 -4.953 176 HG23 THR 22 HG23 THR 22 1.034 -8.176 -5.221 177 H ASP 23 H ASP 23 -0.326 -7.512 -0.948 178 HA ASP 23 HA ASP 23 -1.763 -9.788 -1.638 179 HB2 ASP 23 HB2 ASP 23 -1.119 -8.809 0.697 180 HB3 ASP 23 HB3 ASP 23 -2.688 -8.015 0.597 181 H LEU 24 H LEU 24 -3.223 -6.646 -0.784 182 HA LEU 24 HA LEU 24 -5.799 -7.159 -1.575 183 HB2 LEU 24 HB2 LEU 24 -4.185 -4.629 -1.609 184 HB3 LEU 24 HB3 LEU 24 -5.879 -4.647 -2.098 185 HG LEU 24 HG LEU 24 -4.791 -5.359 0.625 186 HD11 LEU 24 HD11 LEU 24 -6.263 -2.981 -0.468 187 HD12 LEU 24 HD12 LEU 24 -4.734 -3.022 0.409 188 HD13 LEU 24 HD13 LEU 24 -6.244 -3.371 1.253 189 HD21 LEU 24 HD21 LEU 24 -7.358 -5.897 -0.679 190 HD22 LEU 24 HD22 LEU 24 -7.492 -5.095 0.887 191 HD23 LEU 24 HD23 LEU 24 -6.633 -6.630 0.752 192 H LEU 25 H LEU 25 -3.072 -6.169 -3.577 193 HA LEU 25 HA LEU 25 -4.408 -5.595 -5.946 194 HB2 LEU 25 HB2 LEU 25 -1.691 -6.274 -5.145 195 HB3 LEU 25 HB3 LEU 25 -2.082 -6.818 -6.776 196 HG LEU 25 HG LEU 25 -0.986 -4.615 -6.741 197 HD11 LEU 25 HD11 LEU 25 -2.094 -4.381 -8.646 198 HD12 LEU 25 HD12 LEU 25 -3.367 -3.550 -7.753 199 HD13 LEU 25 HD13 LEU 25 -3.468 -5.290 -8.017 200 HD21 LEU 25 HD21 LEU 25 -3.457 -3.751 -5.242 201 HD22 LEU 25 HD22 LEU 25 -2.232 -2.669 -5.903 202 HD23 LEU 25 HD23 LEU 25 -1.811 -3.794 -4.611 203 H ASP 26 H ASP 26 -3.270 -8.701 -4.690 204 HA ASP 26 HA ASP 26 -3.905 -10.258 -6.941 205 HB2 ASP 26 HB2 ASP 26 -2.483 -10.957 -4.973 206 HB3 ASP 26 HB3 ASP 26 -3.977 -11.196 -4.070 207 H ASP 27 H ASP 27 -5.713 -10.038 -3.871 208 HA ASP 27 HA ASP 27 -8.001 -11.360 -4.772 209 HB2 ASP 27 HB2 ASP 27 -9.130 -10.021 -2.867 210 HB3 ASP 27 HB3 ASP 27 -7.835 -11.140 -2.449 211 H LEU 28 H LEU 28 -6.883 -8.173 -5.386 212 HA LEU 28 HA LEU 28 -9.380 -6.947 -5.958 213 HB2 LEU 28 HB2 LEU 28 -6.538 -6.295 -6.261 214 HB3 LEU 28 HB3 LEU 28 -7.584 -5.574 -7.481 215 HG LEU 28 HG LEU 28 -7.994 -5.259 -4.511 216 HD11 LEU 28 HD11 LEU 28 -6.238 -3.891 -4.564 217 HD12 LEU 28 HD12 LEU 28 -7.239 -2.816 -5.539 218 HD13 LEU 28 HD13 LEU 28 -6.140 -3.950 -6.324 219 HD21 LEU 28 HD21 LEU 28 -9.369 -4.283 -6.954 220 HD22 LEU 28 HD22 LEU 28 -9.236 -3.181 -5.584 221 HD23 LEU 28 HD23 LEU 28 -10.033 -4.743 -5.386 222 H LYS 29 H LYS 29 -7.266 -9.038 -7.730 223 HA LYS 29 HA LYS 29 -7.822 -8.486 -10.358 224 HB2 LYS 29 HB2 LYS 29 -7.228 -10.724 -10.867 225 HB3 LYS 29 HB3 LYS 29 -6.302 -10.290 -9.436 226 HG2 LYS 29 HG2 LYS 29 -8.158 -11.404 -8.096 227 HG3 LYS 29 HG3 LYS 29 -8.702 -12.078 -9.634 228 HD2 LYS 29 HD2 LYS 29 -7.079 -13.611 -9.636 229 HD3 LYS 29 HD3 LYS 29 -5.845 -12.408 -9.251 230 HE2 LYS 29 HE2 LYS 29 -5.919 -12.852 -7.037 231 HE3 LYS 29 HE3 LYS 29 -7.660 -13.128 -7.044 232 HZ1 LYS 29 HZ1 LYS 29 -6.847 -15.219 -6.637 233 HZ2 LYS 29 HZ2 LYS 29 -5.479 -15.015 -7.611 234 HZ3 LYS 29 HZ3 LYS 29 -6.994 -15.267 -8.322 235 H THR 30 H THR 30 -9.887 -10.023 -7.986 236 HA THR 30 HA THR 30 -11.917 -10.618 -9.995 237 HB THR 30 HB THR 30 -13.162 -11.684 -8.174 238 HG1 THR 30 HG1 THR 30 -12.072 -11.809 -6.094 239 HG21 THR 30 HG21 THR 30 -11.947 -13.558 -8.377 240 HG22 THR 30 HG22 THR 30 -10.553 -12.838 -7.571 241 HG23 THR 30 HG23 THR 30 -10.807 -12.577 -9.296 242 H ASP 31 H ASP 31 -11.297 -8.421 -7.336 243 HA ASP 31 HA ASP 31 -13.902 -7.364 -7.089 244 HB2 ASP 31 HB2 ASP 31 -11.783 -7.103 -5.562 245 HB3 ASP 31 HB3 ASP 31 -11.473 -5.691 -6.567 246 H LEU 32 H LEU 32 -15.022 -6.179 -8.474 247 HA LEU 32 HA LEU 32 -13.630 -4.864 -10.683 248 HB2 LEU 32 HB2 LEU 32 -15.703 -6.430 -10.866 249 HB3 LEU 32 HB3 LEU 32 -16.603 -4.988 -10.399 250 HG LEU 32 HG LEU 32 -15.427 -3.867 -12.399 251 HD11 LEU 32 HD11 LEU 32 -13.963 -6.069 -12.557 252 HD12 LEU 32 HD12 LEU 32 -14.391 -5.126 -13.984 253 HD13 LEU 32 HD13 LEU 32 -15.301 -6.582 -13.586 254 HD21 LEU 32 HD21 LEU 32 -17.119 -4.968 -13.974 255 HD22 LEU 32 HD22 LEU 32 -17.742 -4.168 -12.530 256 HD23 LEU 32 HD23 LEU 32 -17.603 -5.926 -12.574 257 H ASP 33 H ASP 33 -13.971 -3.913 -7.774 258 HA ASP 33 HA ASP 33 -15.440 -1.432 -8.149 259 HB2 ASP 33 HB2 ASP 33 -15.752 -2.470 -6.018 260 HB3 ASP 33 HB3 ASP 33 -14.015 -2.640 -5.776 261 H ASN 34 H ASN 34 -12.233 -2.079 -6.735 262 HA ASN 34 HA ASN 34 -11.297 0.499 -7.677 263 HB2 ASN 34 HB2 ASN 34 -10.366 -1.536 -5.732 264 HB3 ASN 34 HB3 ASN 34 -9.111 -0.592 -6.529 265 HD21 ASN 34 HD21 ASN 34 -9.709 -0.530 -3.773 266 HD22 ASN 34 HD22 ASN 34 -10.252 1.065 -3.384 267 H GLU 35 H GLU 35 -11.513 -0.150 -9.964 268 HA GLU 35 HA GLU 35 -9.662 -2.105 -10.997 269 HB2 GLU 35 HB2 GLU 35 -11.883 -0.507 -12.029 270 HB3 GLU 35 HB3 GLU 35 -10.544 -0.637 -13.162 271 HG2 GLU 35 HG2 GLU 35 -10.674 -3.174 -12.600 272 HG3 GLU 35 HG3 GLU 35 -12.302 -2.774 -12.057 273 H SER 36 H SER 36 -10.034 1.423 -11.340 274 HA SER 36 HA SER 36 -7.369 1.638 -12.468 275 HB2 SER 36 HB2 SER 36 -7.936 4.096 -12.562 276 HB3 SER 36 HB3 SER 36 -9.032 3.051 -13.466 277 HG SER 36 HG SER 36 -9.458 4.263 -10.942 278 H LEU 37 H LEU 37 -8.924 1.981 -9.414 279 HA LEU 37 HA LEU 37 -7.231 3.775 -8.115 280 HB2 LEU 37 HB2 LEU 37 -9.341 2.948 -7.182 281 HB3 LEU 37 HB3 LEU 37 -8.619 1.354 -6.973 282 HG LEU 37 HG LEU 37 -8.842 2.895 -4.923 283 HD11 LEU 37 HD11 LEU 37 -6.096 2.159 -4.771 284 HD12 LEU 37 HD12 LEU 37 -6.964 0.925 -5.683 285 HD13 LEU 37 HD13 LEU 37 -7.499 1.360 -4.059 286 HD21 LEU 37 HD21 LEU 37 -7.344 4.617 -4.610 287 HD22 LEU 37 HD22 LEU 37 -7.728 4.792 -6.322 288 HD23 LEU 37 HD23 LEU 37 -6.226 4.010 -5.831 289 H LYS 38 H LYS 38 -6.808 0.400 -8.907 290 HA LYS 38 HA LYS 38 -4.783 -0.366 -7.210 291 HB2 LYS 38 HB2 LYS 38 -4.826 -1.044 -10.150 292 HB3 LYS 38 HB3 LYS 38 -4.173 -2.011 -8.834 293 HG2 LYS 38 HG2 LYS 38 -6.789 -1.700 -8.092 294 HG3 LYS 38 HG3 LYS 38 -6.897 -1.821 -9.850 295 HD2 LYS 38 HD2 LYS 38 -5.330 -3.765 -8.167 296 HD3 LYS 38 HD3 LYS 38 -7.032 -4.002 -8.574 297 HE2 LYS 38 HE2 LYS 38 -6.587 -4.356 -10.801 298 HE3 LYS 38 HE3 LYS 38 -5.091 -3.425 -10.761 299 HZ1 LYS 38 HZ1 LYS 38 -5.173 -6.084 -10.810 300 HZ2 LYS 38 HZ2 LYS 38 -5.120 -5.831 -9.139 301 HZ3 LYS 38 HZ3 LYS 38 -3.898 -5.206 -10.127 302 H LYS 39 H LYS 39 -4.645 1.817 -9.921 303 HA LYS 39 HA LYS 39 -1.939 1.854 -10.495 304 HB2 LYS 39 HB2 LYS 39 -2.288 3.942 -11.510 305 HB3 LYS 39 HB3 LYS 39 -3.849 3.138 -11.620 306 HG2 LYS 39 HG2 LYS 39 -4.644 4.403 -9.692 307 HG3 LYS 39 HG3 LYS 39 -3.077 5.203 -9.567 308 HD2 LYS 39 HD2 LYS 39 -4.579 6.680 -10.706 309 HD3 LYS 39 HD3 LYS 39 -3.414 6.068 -11.884 310 HE2 LYS 39 HE2 LYS 39 -5.078 4.381 -12.590 311 HE3 LYS 39 HE3 LYS 39 -6.239 5.093 -11.471 312 HZ1 LYS 39 HZ1 LYS 39 -6.015 5.794 -14.036 313 HZ2 LYS 39 HZ2 LYS 39 -5.005 6.949 -13.322 314 HZ3 LYS 39 HZ3 LYS 39 -6.620 6.819 -12.832 315 H VAL 40 H VAL 40 -3.669 3.308 -7.812 316 HA VAL 40 HA VAL 40 -1.557 4.947 -6.872 317 HB VAL 40 HB VAL 40 -4.052 3.865 -5.603 318 HG11 VAL 40 HG11 VAL 40 -2.548 3.826 -3.775 319 HG12 VAL 40 HG12 VAL 40 -1.821 5.363 -4.248 320 HG13 VAL 40 HG13 VAL 40 -3.471 5.322 -3.625 321 HG21 VAL 40 HG21 VAL 40 -3.386 6.743 -5.671 322 HG22 VAL 40 HG22 VAL 40 -3.686 5.970 -7.228 323 HG23 VAL 40 HG23 VAL 40 -4.920 5.925 -5.968 324 H LEU 41 H LEU 41 -2.821 1.901 -5.502 325 HA LEU 41 HA LEU 41 -0.856 1.445 -3.632 326 HB2 LEU 41 HB2 LEU 41 -2.383 -0.541 -5.305 327 HB3 LEU 41 HB3 LEU 41 -1.395 -0.981 -3.913 328 HG LEU 41 HG LEU 41 -3.517 1.039 -3.467 329 HD11 LEU 41 HD11 LEU 41 -4.741 -1.459 -3.074 330 HD12 LEU 41 HD12 LEU 41 -4.085 -1.475 -4.711 331 HD13 LEU 41 HD13 LEU 41 -5.195 -0.197 -4.219 332 HD21 LEU 41 HD21 LEU 41 -2.016 0.275 -1.680 333 HD22 LEU 41 HD22 LEU 41 -2.586 -1.377 -1.918 334 HD23 LEU 41 HD23 LEU 41 -3.700 -0.133 -1.348 335 H GLU 42 H GLU 42 -0.907 0.251 -6.990 336 HA GLU 42 HA GLU 42 1.551 -1.055 -6.962 337 HB2 GLU 42 HB2 GLU 42 0.011 0.284 -9.177 338 HB3 GLU 42 HB3 GLU 42 1.533 -0.545 -9.473 339 HG2 GLU 42 HG2 GLU 42 0.212 -2.451 -8.105 340 HG3 GLU 42 HG3 GLU 42 -1.136 -1.633 -8.895 341 H ASN 43 H ASN 43 0.815 2.289 -7.935 342 HA ASN 43 HA ASN 43 3.389 3.080 -8.621 343 HB2 ASN 43 HB2 ASN 43 0.922 4.490 -7.734 344 HB3 ASN 43 HB3 ASN 43 2.430 5.399 -7.698 345 HD21 ASN 43 HD21 ASN 43 1.328 2.903 -9.944 346 HD22 ASN 43 HD22 ASN 43 1.394 3.897 -11.355 347 H TYR 44 H TYR 44 1.777 3.980 -5.569 348 HA TYR 44 HA TYR 44 3.992 4.884 -4.216 349 HB2 TYR 44 HB2 TYR 44 1.440 3.609 -3.279 350 HB3 TYR 44 HB3 TYR 44 2.686 4.061 -2.121 351 HD1 TYR 44 HD1 TYR 44 3.214 6.405 -1.711 352 HD2 TYR 44 HD2 TYR 44 0.168 5.295 -4.467 353 HE1 TYR 44 HE1 TYR 44 2.368 8.713 -1.696 354 HE2 TYR 44 HE2 TYR 44 -0.687 7.601 -4.460 355 HH TYR 44 HH TYR 44 0.717 10.075 -2.349 356 H LEU 45 H LEU 45 2.845 1.571 -4.570 357 HA LEU 45 HA LEU 45 4.496 0.316 -2.708 358 HB2 LEU 45 HB2 LEU 45 2.742 -0.931 -3.678 359 HB3 LEU 45 HB3 LEU 45 3.320 -0.613 -5.312 360 HG LEU 45 HG LEU 45 5.314 -2.039 -4.789 361 HD11 LEU 45 HD11 LEU 45 4.668 -3.695 -2.834 362 HD12 LEU 45 HD12 LEU 45 3.844 -2.263 -2.220 363 HD13 LEU 45 HD13 LEU 45 5.579 -2.215 -2.534 364 HD21 LEU 45 HD21 LEU 45 2.610 -3.358 -4.565 365 HD22 LEU 45 HD22 LEU 45 4.112 -4.146 -5.050 366 HD23 LEU 45 HD23 LEU 45 3.410 -2.886 -6.066 367 H GLU 46 H GLU 46 5.110 1.207 -6.074 368 HA GLU 46 HA GLU 46 7.590 -0.067 -6.367 369 HB2 GLU 46 HB2 GLU 46 7.728 0.999 -8.382 370 HB3 GLU 46 HB3 GLU 46 6.014 1.234 -8.068 371 HG2 GLU 46 HG2 GLU 46 6.877 3.438 -6.914 372 HG3 GLU 46 HG3 GLU 46 8.245 3.191 -8.000 373 H GLU 47 H GLU 47 6.682 2.799 -4.673 374 HA GLU 47 HA GLU 47 9.162 4.135 -4.635 375 HB2 GLU 47 HB2 GLU 47 7.057 4.173 -2.468 376 HB3 GLU 47 HB3 GLU 47 8.277 5.399 -2.779 377 HG2 GLU 47 HG2 GLU 47 6.203 4.676 -4.819 378 HG3 GLU 47 HG3 GLU 47 5.904 5.871 -3.558 379 H LEU 48 H LEU 48 7.780 1.634 -2.565 380 HA LEU 48 HA LEU 48 9.626 1.641 -0.496 381 HB2 LEU 48 HB2 LEU 48 8.023 -0.558 -1.757 382 HB3 LEU 48 HB3 LEU 48 9.096 -0.865 -0.393 383 HG LEU 48 HG LEU 48 7.506 1.288 0.403 384 HD11 LEU 48 HD11 LEU 48 5.795 -0.853 -0.849 385 HD12 LEU 48 HD12 LEU 48 6.021 0.768 -1.505 386 HD13 LEU 48 HD13 LEU 48 5.240 0.552 0.061 387 HD21 LEU 48 HD21 LEU 48 6.423 -0.607 1.800 388 HD22 LEU 48 HD22 LEU 48 8.138 -0.253 2.011 389 HD23 LEU 48 HD23 LEU 48 7.635 -1.633 1.034 390 H LYS 49 H LYS 49 9.899 0.374 -3.739 391 HA LYS 49 HA LYS 49 12.286 -1.134 -3.244 392 HB2 LYS 49 HB2 LYS 49 10.948 -0.217 -5.791 393 HB3 LYS 49 HB3 LYS 49 12.402 -1.205 -5.764 394 HG2 LYS 49 HG2 LYS 49 10.730 -2.769 -6.038 395 HG3 LYS 49 HG3 LYS 49 11.008 -2.807 -4.294 396 HD2 LYS 49 HD2 LYS 49 8.970 -1.965 -3.826 397 HD3 LYS 49 HD3 LYS 49 9.005 -0.850 -5.195 398 HE2 LYS 49 HE2 LYS 49 8.457 -3.814 -5.349 399 HE3 LYS 49 HE3 LYS 49 7.240 -2.542 -5.427 400 HZ1 LYS 49 HZ1 LYS 49 9.208 -1.977 -7.329 401 HZ2 LYS 49 HZ2 LYS 49 7.590 -2.397 -7.592 402 HZ3 LYS 49 HZ3 LYS 49 8.775 -3.602 -7.515 403 H GLN 50 H GLN 50 11.537 2.140 -4.147 404 HA GLN 50 HA GLN 50 14.156 2.796 -5.098 405 HB2 GLN 50 HB2 GLN 50 12.029 4.697 -4.110 406 HB3 GLN 50 HB3 GLN 50 13.373 5.069 -5.180 407 HG2 GLN 50 HG2 GLN 50 12.213 3.182 -6.648 408 HG3 GLN 50 HG3 GLN 50 10.797 3.738 -5.757 409 HE21 GLN 50 HE21 GLN 50 10.940 4.012 -8.473 410 HE22 GLN 50 HE22 GLN 50 11.090 5.684 -8.884 411 H LYS 51 H LYS 51 15.671 4.199 -4.073 412 HA LYS 51 HA LYS 51 15.741 3.824 -1.171 413 HB2 LYS 51 HB2 LYS 51 18.115 4.328 -1.328 414 HB3 LYS 51 HB3 LYS 51 17.688 3.071 -2.482 415 HG2 LYS 51 HG2 LYS 51 17.458 5.054 -4.149 416 HG3 LYS 51 HG3 LYS 51 18.462 5.908 -2.975 417 HD2 LYS 51 HD2 LYS 51 19.231 3.206 -4.037 418 HD3 LYS 51 HD3 LYS 51 19.641 4.690 -4.899 419 HE2 LYS 51 HE2 LYS 51 20.778 5.510 -2.860 420 HE3 LYS 51 HE3 LYS 51 20.435 3.966 -2.080 421 HZ1 LYS 51 HZ1 LYS 51 22.702 4.394 -3.276 422 HZ2 LYS 51 HZ2 LYS 51 21.832 3.949 -4.656 423 HZ3 LYS 51 HZ3 LYS 51 21.959 2.876 -3.355 424 H SER 52 H SER 52 14.408 6.012 -3.021 425 HA SER 52 HA SER 52 15.583 8.425 -1.933 426 HB2 SER 52 HB2 SER 52 13.240 7.914 -3.769 427 HB3 SER 52 HB3 SER 52 13.660 9.525 -3.187 428 HG SER 52 HG SER 52 15.434 7.807 -4.586 429 H ALA 53 H ALA 53 12.158 7.484 -2.077 430 HA ALA 53 HA ALA 53 11.560 8.908 0.329 431 HB1 ALA 53 HB1 ALA 53 9.287 8.055 0.023 432 HB2 ALA 53 HB2 ALA 53 9.930 8.733 -1.473 433 HB3 ALA 53 HB3 ALA 53 9.861 6.985 -1.257 434 H SER 54 H SER 54 11.163 8.150 2.362 435 HA SER 54 HA SER 54 12.349 5.640 3.071 436 HB2 SER 54 HB2 SER 54 10.775 7.551 4.813 437 HB3 SER 54 HB3 SER 54 11.853 6.271 5.369 438 HG SER 54 HG SER 54 13.372 7.703 5.244 439 H VAL 55 H VAL 55 11.287 3.950 4.280 440 HA VAL 55 HA VAL 55 9.059 2.876 3.066 441 HB VAL 55 HB VAL 55 10.417 2.377 5.664 442 HG11 VAL 55 HG11 VAL 55 8.693 0.494 6.011 443 HG12 VAL 55 HG12 VAL 55 8.264 2.130 6.515 444 HG13 VAL 55 HG13 VAL 55 7.637 1.480 5.000 445 HG21 VAL 55 HG21 VAL 55 9.787 0.040 4.181 446 HG22 VAL 55 HG22 VAL 55 10.366 1.264 3.052 447 HG23 VAL 55 HG23 VAL 55 11.362 0.793 4.427 448 HA PRO 56 HA PRO 56 6.284 4.544 6.659 449 HB2 PRO 56 HB2 PRO 56 7.376 6.405 8.306 450 HB3 PRO 56 HB3 PRO 56 7.477 4.669 8.618 451 HG2 PRO 56 HG2 PRO 56 9.517 6.499 7.414 452 HG3 PRO 56 HG3 PRO 56 9.738 5.212 8.614 453 HD2 PRO 56 HD2 PRO 56 10.315 4.872 5.990 454 HD3 PRO 56 HD3 PRO 56 9.727 3.549 7.019 455 H LEU 57 H LEU 57 8.359 6.395 4.689 456 HA LEU 57 HA LEU 57 6.864 8.858 4.876 457 HB2 LEU 57 HB2 LEU 57 9.295 7.915 3.529 458 HB3 LEU 57 HB3 LEU 57 8.366 9.107 2.622 459 HG LEU 57 HG LEU 57 9.468 9.477 5.408 460 HD11 LEU 57 HD11 LEU 57 10.662 11.349 3.897 461 HD12 LEU 57 HD12 LEU 57 10.508 10.053 2.711 462 HD13 LEU 57 HD13 LEU 57 11.364 9.765 4.225 463 HD21 LEU 57 HD21 LEU 57 7.493 10.763 5.253 464 HD22 LEU 57 HD22 LEU 57 7.854 11.257 3.599 465 HD23 LEU 57 HD23 LEU 57 8.823 11.877 4.936 466 H ILE 58 H ILE 58 7.137 6.146 2.638 467 HA ILE 58 HA ILE 58 5.295 7.312 0.747 468 HB ILE 58 HB ILE 58 6.350 4.485 0.856 469 HG12 ILE 58 HG12 ILE 58 7.412 6.356 -1.154 470 HG13 ILE 58 HG13 ILE 58 7.855 6.742 0.506 471 HG21 ILE 58 HG21 ILE 58 5.481 4.145 -1.247 472 HG22 ILE 58 HG22 ILE 58 4.239 5.164 -0.523 473 HG23 ILE 58 HG23 ILE 58 5.426 5.868 -1.621 474 HD11 ILE 58 HD11 ILE 58 9.256 5.088 -1.066 475 HD12 ILE 58 HD12 ILE 58 9.212 4.959 0.693 476 HD13 ILE 58 HD13 ILE 58 8.177 3.927 -0.295 477 H LEU 59 H LEU 59 5.219 4.853 3.268 478 HA LEU 59 HA LEU 59 2.715 3.741 2.734 479 HB2 LEU 59 HB2 LEU 59 4.238 4.115 5.299 480 HB3 LEU 59 HB3 LEU 59 2.697 3.261 5.228 481 HG LEU 59 HG LEU 59 5.204 2.452 3.755 482 HD11 LEU 59 HD11 LEU 59 5.807 1.796 5.825 483 HD12 LEU 59 HD12 LEU 59 4.713 0.456 5.485 484 HD13 LEU 59 HD13 LEU 59 4.155 1.830 6.438 485 HD21 LEU 59 HD21 LEU 59 2.503 1.797 3.306 486 HD22 LEU 59 HD22 LEU 59 3.245 0.394 4.075 487 HD23 LEU 59 HD23 LEU 59 3.935 1.054 2.592 488 H SER 60 H SER 60 3.578 6.481 4.828 489 HA SER 60 HA SER 60 0.938 7.044 5.665 490 HB2 SER 60 HB2 SER 60 3.410 8.785 5.548 491 HB3 SER 60 HB3 SER 60 1.893 9.287 6.295 492 HG SER 60 HG SER 60 3.519 7.082 7.040 493 H ARG 61 H ARG 61 2.910 8.239 2.987 494 HA ARG 61 HA ARG 61 1.130 10.244 2.113 495 HB2 ARG 61 HB2 ARG 61 3.613 9.767 1.460 496 HB3 ARG 61 HB3 ARG 61 2.905 8.740 0.220 497 HG2 ARG 61 HG2 ARG 61 2.828 10.562 -1.046 498 HG3 ARG 61 HG3 ARG 61 1.491 11.090 -0.023 499 HD2 ARG 61 HD2 ARG 61 3.029 12.285 1.419 500 HD3 ARG 61 HD3 ARG 61 4.402 11.693 0.485 501 HE ARG 61 HE ARG 61 2.648 13.057 -1.231 502 HH11 ARG 61 HH11 ARG 61 4.854 13.675 1.391 503 HH12 ARG 61 HH12 ARG 61 5.229 15.284 0.869 504 HH21 ARG 61 HH21 ARG 61 3.134 15.174 -1.929 505 HH22 ARG 61 HH22 ARG 61 4.249 16.135 -1.019 506 H MET 62 H MET 62 1.619 6.904 0.974 507 HA MET 62 HA MET 62 -0.270 6.833 -1.032 508 HB2 MET 62 HB2 MET 62 1.356 5.016 -0.445 509 HB3 MET 62 HB3 MET 62 0.296 4.568 0.886 510 HG2 MET 62 HG2 MET 62 -1.505 4.130 -0.732 511 HG3 MET 62 HG3 MET 62 -0.391 4.509 -2.043 512 HE1 MET 62 HE1 MET 62 -0.598 1.071 0.797 513 HE2 MET 62 HE2 MET 62 0.935 1.878 1.124 514 HE3 MET 62 HE3 MET 62 -0.575 2.786 1.205 515 H ASN 63 H ASN 63 -0.730 6.330 2.442 516 HA ASN 63 HA ASN 63 -3.365 5.503 2.471 517 HB2 ASN 63 HB2 ASN 63 -1.572 6.018 4.396 518 HB3 ASN 63 HB3 ASN 63 -2.553 7.473 4.544 519 HD21 ASN 63 HD21 ASN 63 -2.514 5.938 6.671 520 HD22 ASN 63 HD22 ASN 63 -3.979 5.039 6.850 521 H LEU 64 H LEU 64 -2.105 8.821 2.432 522 HA LEU 64 HA LEU 64 -4.601 10.118 2.542 523 HB2 LEU 64 HB2 LEU 64 -1.856 10.904 1.673 524 HB3 LEU 64 HB3 LEU 64 -3.210 11.980 1.335 525 HG LEU 64 HG LEU 64 -3.699 11.945 3.812 526 HD11 LEU 64 HD11 LEU 64 -1.940 11.262 5.313 527 HD12 LEU 64 HD12 LEU 64 -0.929 10.767 3.956 528 HD13 LEU 64 HD13 LEU 64 -2.421 9.895 4.309 529 HD21 LEU 64 HD21 LEU 64 -2.637 13.846 2.753 530 HD22 LEU 64 HD22 LEU 64 -1.061 13.061 2.866 531 HD23 LEU 64 HD23 LEU 64 -1.909 13.554 4.333 532 H ASP 65 H ASP 65 -2.953 8.507 -0.013 533 HA ASP 65 HA ASP 65 -4.468 9.803 -2.117 534 HB2 ASP 65 HB2 ASP 65 -2.017 8.679 -2.120 535 HB3 ASP 65 HB3 ASP 65 -2.969 7.309 -2.686 536 H ILE 66 H ILE 66 -4.179 6.485 -0.842 537 HA ILE 66 HA ILE 66 -6.269 5.374 -2.329 538 HB ILE 66 HB ILE 66 -5.388 4.535 0.435 539 HG12 ILE 66 HG12 ILE 66 -4.350 3.690 -2.279 540 HG13 ILE 66 HG13 ILE 66 -3.485 4.678 -1.107 541 HG21 ILE 66 HG21 ILE 66 -6.652 2.900 -1.758 542 HG22 ILE 66 HG22 ILE 66 -6.267 2.373 -0.121 543 HG23 ILE 66 HG23 ILE 66 -7.530 3.575 -0.387 544 HD11 ILE 66 HD11 ILE 66 -4.363 1.839 -0.645 545 HD12 ILE 66 HD12 ILE 66 -2.743 2.338 -1.134 546 HD13 ILE 66 HD13 ILE 66 -3.384 2.833 0.433 547 H SER 67 H SER 67 -6.297 6.610 1.014 548 HA SER 67 HA SER 67 -8.979 6.179 1.576 549 HB2 SER 67 HB2 SER 67 -7.005 8.228 2.559 550 HB3 SER 67 HB3 SER 67 -8.672 8.223 3.135 551 HG SER 67 HG SER 67 -6.676 6.257 3.457 552 H LYS 68 H LYS 68 -7.447 8.740 -0.253 553 HA LYS 68 HA LYS 68 -9.705 10.465 -0.363 554 HB2 LYS 68 HB2 LYS 68 -7.023 10.360 -1.511 555 HB3 LYS 68 HB3 LYS 68 -8.212 11.006 -2.635 556 HG2 LYS 68 HG2 LYS 68 -8.856 12.699 -1.028 557 HG3 LYS 68 HG3 LYS 68 -7.743 12.021 0.162 558 HD2 LYS 68 HD2 LYS 68 -5.925 12.425 -1.607 559 HD3 LYS 68 HD3 LYS 68 -7.117 13.461 -2.397 560 HE2 LYS 68 HE2 LYS 68 -5.786 14.864 -1.021 561 HE3 LYS 68 HE3 LYS 68 -7.343 14.685 -0.214 562 HZ1 LYS 68 HZ1 LYS 68 -6.390 13.721 1.533 563 HZ2 LYS 68 HZ2 LYS 68 -4.910 14.262 0.918 564 HZ3 LYS 68 HZ3 LYS 68 -5.443 12.693 0.579 565 H ALA 69 H ALA 69 -8.417 7.980 -2.537 566 HA ALA 69 HA ALA 69 -10.179 8.330 -4.668 567 HB1 ALA 69 HB1 ALA 69 -9.491 5.540 -4.123 568 HB2 ALA 69 HB2 ALA 69 -9.158 6.538 -5.539 569 HB3 ALA 69 HB3 ALA 69 -8.108 6.637 -4.125 570 H ILE 70 H ILE 70 -10.743 7.083 -1.523 571 HA ILE 70 HA ILE 70 -12.970 5.420 -2.103 572 HB ILE 70 HB ILE 70 -12.530 6.852 0.507 573 HG12 ILE 70 HG12 ILE 70 -11.137 4.398 -0.571 574 HG13 ILE 70 HG13 ILE 70 -10.394 5.900 -0.032 575 HG21 ILE 70 HG21 ILE 70 -14.631 5.559 0.130 576 HG22 ILE 70 HG22 ILE 70 -13.643 4.111 -0.064 577 HG23 ILE 70 HG23 ILE 70 -13.652 4.974 1.475 578 HD11 ILE 70 HD11 ILE 70 -11.170 5.414 2.258 579 HD12 ILE 70 HD12 ILE 70 -11.794 3.866 1.684 580 HD13 ILE 70 HD13 ILE 70 -10.063 4.197 1.622 581 H ARG 71 H ARG 71 -12.997 8.517 -0.336 582 HA ARG 71 HA ARG 71 -15.733 8.986 -0.657 583 HB2 ARG 71 HB2 ARG 71 -15.176 11.354 -0.081 584 HB3 ARG 71 HB3 ARG 71 -14.509 10.169 1.033 585 HG2 ARG 71 HG2 ARG 71 -12.378 10.345 -0.413 586 HG3 ARG 71 HG3 ARG 71 -13.101 11.843 -1.003 587 HD2 ARG 71 HD2 ARG 71 -12.164 12.823 0.771 588 HD3 ARG 71 HD3 ARG 71 -13.413 12.026 1.727 589 HE ARG 71 HE ARG 71 -11.170 10.325 1.316 590 HH11 ARG 71 HH11 ARG 71 -12.306 13.030 3.191 591 HH12 ARG 71 HH12 ARG 71 -11.266 12.701 4.536 592 HH21 ARG 71 HH21 ARG 71 -9.795 9.883 3.082 593 HH22 ARG 71 HH22 ARG 71 -9.837 10.912 4.473 594 H ASN 72 H ASN 72 -12.974 10.214 -2.532 595 HA ASN 72 HA ASN 72 -14.346 11.860 -4.291 596 HB2 ASN 72 HB2 ASN 72 -11.781 10.340 -4.426 597 HB3 ASN 72 HB3 ASN 72 -12.404 11.050 -5.913 598 HD21 ASN 72 HD21 ASN 72 -11.631 11.830 -2.555 599 HD22 ASN 72 HD22 ASN 72 -11.138 13.457 -2.861 600 H ASP 73 H ASP 73 -13.073 8.710 -5.333 601 HA ASP 73 HA ASP 73 -14.686 8.410 -7.552 602 HB2 ASP 73 HB2 ASP 73 -12.671 6.987 -6.685 603 HB3 ASP 73 HB3 ASP 73 -13.922 6.010 -5.922 604 H GLY 74 H GLY 74 -15.226 6.941 -4.341 605 HA2 GLY 74 HA2 GLY 74 -17.503 7.184 -3.407 606 HA3 GLY 74 HA3 GLY 74 -18.100 6.827 -5.021 607 H VAL 75 H VAL 75 -15.351 5.053 -3.999 608 HA VAL 75 HA VAL 75 -16.924 2.612 -3.966 609 HB VAL 75 HB VAL 75 -14.788 1.438 -3.922 610 HG11 VAL 75 HG11 VAL 75 -14.667 3.693 -5.918 611 HG12 VAL 75 HG12 VAL 75 -13.988 2.074 -6.088 612 HG13 VAL 75 HG13 VAL 75 -15.736 2.300 -6.062 613 HG21 VAL 75 HG21 VAL 75 -13.599 4.195 -3.657 614 HG22 VAL 75 HG22 VAL 75 -13.498 2.875 -2.493 615 HG23 VAL 75 HG23 VAL 75 -12.673 2.746 -4.046 616 H THR 76 H THR 76 -15.741 0.933 -2.299 617 HA THR 76 HA THR 76 -15.517 2.162 0.337 618 HB THR 76 HB THR 76 -17.338 -0.193 0.156 619 HG1 THR 76 HG1 THR 76 -18.755 0.907 -0.952 620 HG21 THR 76 HG21 THR 76 -17.417 2.264 1.906 621 HG22 THR 76 HG22 THR 76 -16.541 0.790 2.317 622 HG23 THR 76 HG23 THR 76 -18.295 0.754 2.140 623 H LEU 77 H LEU 77 -14.126 1.111 1.649 624 HA LEU 77 HA LEU 77 -12.606 -1.066 0.555 625 HB2 LEU 77 HB2 LEU 77 -12.399 -0.022 3.361 626 HB3 LEU 77 HB3 LEU 77 -11.150 -0.786 2.379 627 HG LEU 77 HG LEU 77 -12.311 1.940 1.815 628 HD11 LEU 77 HD11 LEU 77 -9.750 2.368 2.601 629 HD12 LEU 77 HD12 LEU 77 -10.228 1.062 3.684 630 HD13 LEU 77 HD13 LEU 77 -11.163 2.557 3.640 631 HD21 LEU 77 HD21 LEU 77 -9.663 1.007 0.844 632 HD22 LEU 77 HD22 LEU 77 -10.815 2.119 0.104 633 HD23 LEU 77 HD23 LEU 77 -11.106 0.380 0.047 634 H SER 78 H SER 78 -12.747 -3.181 1.005 635 HA SER 78 HA SER 78 -15.018 -4.152 2.450 636 HB2 SER 78 HB2 SER 78 -12.777 -5.402 0.911 637 HB3 SER 78 HB3 SER 78 -13.743 -6.415 1.985 638 HG SER 78 HG SER 78 -14.591 -4.917 -0.258 639 H ASP 79 H ASP 79 -14.565 -6.143 3.962 640 HA ASP 79 HA ASP 79 -13.600 -5.203 6.371 641 HB2 ASP 79 HB2 ASP 79 -15.041 -7.275 5.897 642 HB3 ASP 79 HB3 ASP 79 -13.519 -8.125 5.644 643 H TYR 80 H TYR 80 -11.970 -7.760 4.494 644 HA TYR 80 HA TYR 80 -9.564 -7.722 5.840 645 HB2 TYR 80 HB2 TYR 80 -8.585 -8.766 3.852 646 HB3 TYR 80 HB3 TYR 80 -10.171 -9.446 4.200 647 HD1 TYR 80 HD1 TYR 80 -12.140 -8.711 2.817 648 HD2 TYR 80 HD2 TYR 80 -8.135 -7.722 1.780 649 HE1 TYR 80 HE1 TYR 80 -12.866 -8.210 0.522 650 HE2 TYR 80 HE2 TYR 80 -8.849 -7.217 -0.519 651 HH TYR 80 HH TYR 80 -10.753 -7.886 -2.044 652 H GLN 81 H GLN 81 -10.675 -5.637 3.240 653 HA GLN 81 HA GLN 81 -8.236 -4.416 2.598 654 HB2 GLN 81 HB2 GLN 81 -11.108 -3.706 2.274 655 HB3 GLN 81 HB3 GLN 81 -9.923 -2.424 2.059 656 HG2 GLN 81 HG2 GLN 81 -9.464 -4.985 0.638 657 HG3 GLN 81 HG3 GLN 81 -10.753 -3.933 0.056 658 HE21 GLN 81 HE21 GLN 81 -8.940 -4.275 -1.729 659 HE22 GLN 81 HE22 GLN 81 -7.834 -2.954 -1.848 660 H SER 82 H SER 82 -10.861 -2.925 4.498 661 HA SER 82 HA SER 82 -9.421 -0.811 5.524 662 HB2 SER 82 HB2 SER 82 -11.860 -1.021 5.749 663 HB3 SER 82 HB3 SER 82 -11.644 -2.339 6.902 664 HG SER 82 HG SER 82 -11.593 0.314 7.333 665 H LYS 83 H LYS 83 -9.569 -4.131 6.654 666 HA LYS 83 HA LYS 83 -8.274 -3.735 9.135 667 HB2 LYS 83 HB2 LYS 83 -8.838 -6.080 7.380 668 HB3 LYS 83 HB3 LYS 83 -7.651 -6.271 8.663 669 HG2 LYS 83 HG2 LYS 83 -9.368 -5.473 10.278 670 HG3 LYS 83 HG3 LYS 83 -10.543 -5.492 8.960 671 HD2 LYS 83 HD2 LYS 83 -10.366 -7.839 8.714 672 HD3 LYS 83 HD3 LYS 83 -8.924 -7.910 9.728 673 HE2 LYS 83 HE2 LYS 83 -11.599 -6.991 10.752 674 HE3 LYS 83 HE3 LYS 83 -11.090 -8.678 10.793 675 HZ1 LYS 83 HZ1 LYS 83 -10.202 -8.158 12.753 676 HZ2 LYS 83 HZ2 LYS 83 -10.307 -6.492 12.481 677 HZ3 LYS 83 HZ3 LYS 83 -8.986 -7.364 11.885 678 H LYS 84 H LYS 84 -7.022 -4.883 6.002 679 HA LYS 84 HA LYS 84 -4.339 -5.097 6.769 680 HB2 LYS 84 HB2 LYS 84 -3.906 -5.555 4.572 681 HB3 LYS 84 HB3 LYS 84 -5.649 -5.789 4.563 682 HG2 LYS 84 HG2 LYS 84 -5.509 -4.443 2.760 683 HG3 LYS 84 HG3 LYS 84 -5.569 -3.180 3.991 684 HD2 LYS 84 HD2 LYS 84 -2.959 -3.511 3.989 685 HD3 LYS 84 HD3 LYS 84 -3.262 -4.153 2.373 686 HE2 LYS 84 HE2 LYS 84 -4.737 -1.906 2.268 687 HE3 LYS 84 HE3 LYS 84 -3.485 -1.393 3.398 688 HZ1 LYS 84 HZ1 LYS 84 -2.116 -1.111 1.701 689 HZ2 LYS 84 HZ2 LYS 84 -3.321 -1.591 0.617 690 HZ3 LYS 84 HZ3 LYS 84 -2.264 -2.740 1.267 691 H LEU 85 H LEU 85 -6.274 -2.337 6.177 692 HA LEU 85 HA LEU 85 -4.260 -0.518 5.371 693 HB2 LEU 85 HB2 LEU 85 -6.914 -0.381 5.447 694 HB3 LEU 85 HB3 LEU 85 -6.570 0.436 6.970 695 HG LEU 85 HG LEU 85 -6.884 2.061 5.212 696 HD11 LEU 85 HD11 LEU 85 -4.924 2.131 7.001 697 HD12 LEU 85 HD12 LEU 85 -5.146 3.401 5.798 698 HD13 LEU 85 HD13 LEU 85 -3.939 2.143 5.537 699 HD21 LEU 85 HD21 LEU 85 -6.159 0.449 3.387 700 HD22 LEU 85 HD22 LEU 85 -4.503 0.908 3.784 701 HD23 LEU 85 HD23 LEU 85 -5.644 2.126 3.214 702 H LYS 86 H LYS 86 -5.462 -1.564 8.506 703 HA LYS 86 HA LYS 86 -4.050 0.387 10.028 704 HB2 LYS 86 HB2 LYS 86 -4.804 -0.759 11.934 705 HB3 LYS 86 HB3 LYS 86 -6.077 -1.008 10.746 706 HG2 LYS 86 HG2 LYS 86 -5.922 -3.169 11.227 707 HG3 LYS 86 HG3 LYS 86 -4.394 -3.157 10.345 708 HD2 LYS 86 HD2 LYS 86 -3.149 -3.251 12.235 709 HD3 LYS 86 HD3 LYS 86 -4.283 -2.262 13.158 710 HE2 LYS 86 HE2 LYS 86 -5.825 -4.239 13.198 711 HE3 LYS 86 HE3 LYS 86 -4.524 -5.190 12.485 712 HZ1 LYS 86 HZ1 LYS 86 -3.174 -4.304 14.479 713 HZ2 LYS 86 HZ2 LYS 86 -4.261 -5.578 14.724 714 HZ3 LYS 86 HZ3 LYS 86 -4.688 -4.004 15.174 715 H GLU 87 H GLU 87 -2.991 -2.239 8.265 716 HA GLU 87 HA GLU 87 -1.020 -3.392 9.871 717 HB2 GLU 87 HB2 GLU 87 -1.122 -2.991 6.880 718 HB3 GLU 87 HB3 GLU 87 0.098 -3.963 7.690 719 HG2 GLU 87 HG2 GLU 87 -2.802 -4.523 8.126 720 HG3 GLU 87 HG3 GLU 87 -1.987 -5.107 6.676 721 H LEU 88 H LEU 88 -0.163 -1.305 7.135 722 HA LEU 88 HA LEU 88 2.306 -0.538 8.259 723 HB2 LEU 88 HB2 LEU 88 2.161 1.285 6.451 724 HB3 LEU 88 HB3 LEU 88 2.234 -0.404 5.952 725 HG LEU 88 HG LEU 88 0.592 1.216 4.770 726 HD11 LEU 88 HD11 LEU 88 -1.063 -1.033 5.390 727 HD12 LEU 88 HD12 LEU 88 0.617 -1.552 5.254 728 HD13 LEU 88 HD13 LEU 88 -0.149 -0.691 3.920 729 HD21 LEU 88 HD21 LEU 88 -0.351 2.020 6.962 730 HD22 LEU 88 HD22 LEU 88 -1.123 0.441 7.120 731 HD23 LEU 88 HD23 LEU 88 -1.541 1.496 5.770 732 H THR 89 H THR 89 -0.792 0.418 9.042 733 HA THR 89 HA THR 89 -0.443 3.177 9.555 734 HB THR 89 HB THR 89 -2.364 1.166 10.730 735 HG1 THR 89 HG1 THR 89 -2.791 3.306 8.897 736 HG21 THR 89 HG21 THR 89 -2.300 2.798 12.399 737 HG22 THR 89 HG22 THR 89 -3.630 3.325 11.367 738 HG23 THR 89 HG23 THR 89 -2.054 4.106 11.243 739 H SER 90 H SER 90 -0.059 0.297 11.585 740 HA SER 90 HA SER 90 0.650 1.799 13.921 741 HB2 SER 90 HB2 SER 90 0.809 -0.250 15.019 742 HB3 SER 90 HB3 SER 90 -0.354 -0.608 13.742 743 HG SER 90 HG SER 90 2.184 -1.573 14.129 744 H ILE 91 H ILE 91 2.388 0.186 11.333 745 HA ILE 91 HA ILE 91 4.962 0.359 12.540 746 HB ILE 91 HB ILE 91 4.369 0.160 9.589 747 HG12 ILE 91 HG12 ILE 91 4.636 -2.072 11.615 748 HG13 ILE 91 HG13 ILE 91 3.131 -1.563 10.859 749 HG21 ILE 91 HG21 ILE 91 6.533 -0.747 9.364 750 HG22 ILE 91 HG22 ILE 91 6.715 0.665 10.404 751 HG23 ILE 91 HG23 ILE 91 6.712 -0.953 11.106 752 HD11 ILE 91 HD11 ILE 91 5.516 -2.714 9.431 753 HD12 ILE 91 HD12 ILE 91 4.019 -3.566 9.814 754 HD13 ILE 91 HD13 ILE 91 4.000 -2.215 8.680 755 H SER 92 H SER 92 3.053 2.469 10.501 756 HA SER 92 HA SER 92 5.170 4.245 9.811 757 HB2 SER 92 HB2 SER 92 3.315 5.781 9.133 758 HB3 SER 92 HB3 SER 92 3.188 4.170 8.427 759 HG SER 92 HG SER 92 1.185 4.715 9.215 760 H ASN 93 H ASN 93 5.930 6.019 10.824 761 HA ASN 93 HA ASN 93 5.243 6.393 13.592 762 HB2 ASN 93 HB2 ASN 93 6.994 8.232 13.434 763 HB3 ASN 93 HB3 ASN 93 7.553 6.600 13.080 764 HD21 ASN 93 HD21 ASN 93 9.311 7.741 12.023 765 HD22 ASN 93 HD22 ASN 93 9.104 8.275 10.393 766 H ILE 94 H ILE 94 3.002 7.021 13.230 767 HA ILE 94 HA ILE 94 2.428 9.515 11.924 768 HB ILE 94 HB ILE 94 0.626 7.988 13.800 769 HG12 ILE 94 HG12 ILE 94 0.954 7.680 10.806 770 HG13 ILE 94 HG13 ILE 94 1.443 6.502 12.019 771 HG21 ILE 94 HG21 ILE 94 -0.254 9.637 11.468 772 HG22 ILE 94 HG22 ILE 94 -1.132 9.214 12.938 773 HG23 ILE 94 HG23 ILE 94 0.160 10.414 12.996 774 HD11 ILE 94 HD11 ILE 94 -0.551 5.573 11.829 775 HD12 ILE 94 HD12 ILE 94 -1.258 7.037 12.514 776 HD13 ILE 94 HD13 ILE 94 -1.100 6.869 10.766 777 H ARG 95 H ARG 95 4.176 10.557 13.341 778 HA ARG 95 HA ARG 95 3.031 11.444 15.901 779 HB2 ARG 95 HB2 ARG 95 5.889 11.611 14.926 780 HB3 ARG 95 HB3 ARG 95 5.311 12.121 16.507 781 HG2 ARG 95 HG2 ARG 95 5.008 9.298 15.537 782 HG3 ARG 95 HG3 ARG 95 6.465 9.864 16.356 783 HD2 ARG 95 HD2 ARG 95 5.384 10.164 18.364 784 HD3 ARG 95 HD3 ARG 95 3.809 10.388 17.602 785 HE ARG 95 HE ARG 95 4.652 7.761 17.140 786 HH11 ARG 95 HH11 ARG 95 3.656 9.803 19.777 787 HH12 ARG 95 HH12 ARG 95 3.014 8.497 20.718 788 HH21 ARG 95 HH21 ARG 95 3.812 6.032 18.369 789 HH22 ARG 95 HH22 ARG 95 3.105 6.352 19.916 790 H TYR 96 H TYR 96 4.593 12.598 12.941 791 HA TYR 96 HA TYR 96 4.470 15.348 13.549 792 HB2 TYR 96 HB2 TYR 96 4.744 13.791 10.995 793 HB3 TYR 96 HB3 TYR 96 4.572 15.543 10.961 794 HD1 TYR 96 HD1 TYR 96 6.716 12.765 12.114 795 HD2 TYR 96 HD2 TYR 96 6.386 16.969 11.550 796 HE1 TYR 96 HE1 TYR 96 9.129 13.002 12.517 797 HE2 TYR 96 HE2 TYR 96 8.800 17.218 11.951 798 HH TYR 96 HH TYR 96 10.678 14.908 13.350 799 H GLY 97 H GLY 97 3.119 16.962 12.433 800 HA2 GLY 97 HA2 GLY 97 0.383 16.510 12.878 801 HA3 GLY 97 HA3 GLY 97 1.058 17.875 12.000 802 H TYR 98 H TYR 98 2.342 15.815 10.136 803 HA TYR 98 HA TYR 98 0.510 15.992 8.052 804 HB2 TYR 98 HB2 TYR 98 2.749 13.997 8.448 805 HB3 TYR 98 HB3 TYR 98 1.903 14.265 6.929 806 HD1 TYR 98 HD1 TYR 98 1.765 16.991 6.427 807 HD2 TYR 98 HD2 TYR 98 4.851 14.924 8.503 808 HE1 TYR 98 HE1 TYR 98 3.343 18.791 5.862 809 HE2 TYR 98 HE2 TYR 98 6.436 16.719 7.945 810 HH TYR 98 HH TYR 98 6.634 18.817 7.136 Start of MODEL 5 1 H1 MET 1 H MET 1 1.366 -13.637 -18.150 2 HA MET 1 HA MET 1 2.224 -15.601 -16.150 3 HB2 MET 1 HB2 MET 1 2.641 -15.727 -19.092 4 HB3 MET 1 HB3 MET 1 3.990 -16.195 -18.068 5 HG2 MET 1 HG2 MET 1 2.894 -18.025 -17.220 6 HG3 MET 1 HG3 MET 1 1.298 -17.350 -17.542 7 HE1 MET 1 HE1 MET 1 2.089 -20.083 -17.785 8 HE2 MET 1 HE2 MET 1 1.531 -20.681 -19.348 9 HE3 MET 1 HE3 MET 1 3.259 -20.501 -19.038 10 H GLY 2 H GLY 2 4.796 -15.591 -16.183 11 HA2 GLY 2 HA2 GLY 2 6.469 -13.656 -16.901 12 HA3 GLY 2 HA3 GLY 2 5.515 -12.808 -15.694 13 H LYS 3 H LYS 3 5.290 -14.092 -13.567 14 HA LYS 3 HA LYS 3 7.322 -15.921 -12.836 15 HB2 LYS 3 HB2 LYS 3 8.368 -14.172 -11.168 16 HB3 LYS 3 HB3 LYS 3 8.968 -14.314 -12.816 17 HG2 LYS 3 HG2 LYS 3 8.677 -11.981 -12.102 18 HG3 LYS 3 HG3 LYS 3 7.681 -12.395 -13.499 19 HD2 LYS 3 HD2 LYS 3 5.752 -12.714 -11.999 20 HD3 LYS 3 HD3 LYS 3 6.758 -12.237 -10.628 21 HE2 LYS 3 HE2 LYS 3 5.723 -10.248 -11.128 22 HE3 LYS 3 HE3 LYS 3 7.200 -10.106 -12.079 23 HZ1 LYS 3 HZ1 LYS 3 5.793 -9.657 -13.741 24 HZ2 LYS 3 HZ2 LYS 3 4.460 -10.341 -12.957 25 HZ3 LYS 3 HZ3 LYS 3 5.543 -11.329 -13.801 26 H LEU 4 H LEU 4 7.523 -15.901 -10.284 27 HA LEU 4 HA LEU 4 5.242 -14.944 -8.853 28 HB2 LEU 4 HB2 LEU 4 4.560 -17.066 -10.235 29 HB3 LEU 4 HB3 LEU 4 5.397 -17.922 -8.941 30 HG LEU 4 HG LEU 4 3.852 -16.739 -7.328 31 HD11 LEU 4 HD11 LEU 4 1.998 -15.579 -8.048 32 HD12 LEU 4 HD12 LEU 4 2.048 -16.285 -9.662 33 HD13 LEU 4 HD13 LEU 4 3.222 -15.051 -9.205 34 HD21 LEU 4 HD21 LEU 4 3.561 -19.077 -7.941 35 HD22 LEU 4 HD22 LEU 4 2.637 -18.602 -9.367 36 HD23 LEU 4 HD23 LEU 4 1.998 -18.281 -7.753 37 H LYS 5 H LYS 5 5.943 -14.533 -6.872 38 HA LYS 5 HA LYS 5 8.082 -16.226 -5.756 39 HB2 LYS 5 HB2 LYS 5 8.703 -14.124 -4.441 40 HB3 LYS 5 HB3 LYS 5 9.102 -14.143 -6.153 41 HG2 LYS 5 HG2 LYS 5 6.488 -12.986 -5.376 42 HG3 LYS 5 HG3 LYS 5 7.943 -12.067 -4.984 43 HD2 LYS 5 HD2 LYS 5 7.702 -13.190 -7.725 44 HD3 LYS 5 HD3 LYS 5 6.696 -11.800 -7.311 45 HE2 LYS 5 HE2 LYS 5 8.781 -10.651 -6.522 46 HE3 LYS 5 HE3 LYS 5 9.702 -11.995 -7.195 47 HZ1 LYS 5 HZ1 LYS 5 9.644 -10.965 -9.137 48 HZ2 LYS 5 HZ2 LYS 5 8.658 -9.737 -8.520 49 HZ3 LYS 5 HZ3 LYS 5 7.961 -11.131 -9.178 50 H TRP 6 H TRP 6 7.690 -17.159 -3.848 51 HA TRP 6 HA TRP 6 5.140 -16.635 -2.553 52 HB2 TRP 6 HB2 TRP 6 7.242 -18.727 -1.950 53 HB3 TRP 6 HB3 TRP 6 5.631 -18.650 -1.240 54 HD1 TRP 6 HD1 TRP 6 3.640 -19.636 -2.631 55 HE1 TRP 6 HE1 TRP 6 3.495 -20.939 -4.845 56 HE3 TRP 6 HE3 TRP 6 8.408 -18.898 -4.319 57 HZ2 TRP 6 HZ2 TRP 6 5.179 -21.570 -7.021 58 HZ3 TRP 6 HZ3 TRP 6 9.062 -19.886 -6.476 59 HH2 TRP 6 HH2 TRP 6 7.479 -21.195 -7.797 60 H PHE 7 H PHE 7 6.826 -14.486 -2.281 61 HA PHE 7 HA PHE 7 8.127 -14.656 0.310 62 HB2 PHE 7 HB2 PHE 7 9.151 -13.371 -1.556 63 HB3 PHE 7 HB3 PHE 7 7.782 -12.265 -1.511 64 HD1 PHE 7 HD2 PHE 7 10.779 -13.416 0.266 65 HD2 PHE 7 HD1 PHE 7 7.582 -10.606 0.198 66 HE1 PHE 7 HE2 PHE 7 11.933 -12.066 1.970 67 HE2 PHE 7 HE1 PHE 7 8.730 -9.252 1.901 68 HZ PHE 7 HZ PHE 7 10.908 -9.982 2.789 69 H SER 8 H SER 8 7.323 -13.933 2.189 70 HA SER 8 HA SER 8 5.350 -11.926 2.442 71 HB2 SER 8 HB2 SER 8 4.047 -13.975 1.535 72 HB3 SER 8 HB3 SER 8 4.267 -14.642 3.152 73 HG SER 8 HG SER 8 2.399 -13.000 2.394 74 H GLY 9 H GLY 9 5.814 -11.022 4.328 75 HA2 GLY 9 HA2 GLY 9 5.928 -11.033 6.699 76 HA3 GLY 9 HA3 GLY 9 6.350 -12.739 6.645 77 H GLY 10 H GLY 10 8.232 -12.772 7.754 78 HA2 GLY 10 HA2 GLY 10 10.596 -12.752 7.630 79 HA3 GLY 10 HA3 GLY 10 10.500 -11.416 6.492 80 H LYS 11 H LYS 11 12.296 -11.286 8.526 81 HA LYS 11 HA LYS 11 11.253 -9.943 10.824 82 HB2 LYS 11 HB2 LYS 11 13.645 -9.468 11.320 83 HB3 LYS 11 HB3 LYS 11 13.318 -11.171 11.026 84 HG2 LYS 11 HG2 LYS 11 14.030 -9.846 8.576 85 HG3 LYS 11 HG3 LYS 11 15.260 -9.579 9.813 86 HD2 LYS 11 HD2 LYS 11 14.825 -12.202 10.174 87 HD3 LYS 11 HD3 LYS 11 14.431 -12.075 8.458 88 HE2 LYS 11 HE2 LYS 11 16.661 -10.766 8.299 89 HE3 LYS 11 HE3 LYS 11 17.020 -11.513 9.855 90 HZ1 LYS 11 HZ1 LYS 11 16.077 -13.521 8.184 91 HZ2 LYS 11 HZ2 LYS 11 17.653 -13.315 8.763 92 HZ3 LYS 11 HZ3 LYS 11 17.203 -12.638 7.280 93 H GLU 12 H GLU 12 12.299 -8.971 7.670 94 HA GLU 12 HA GLU 12 12.858 -6.252 8.240 95 HB2 GLU 12 HB2 GLU 12 11.972 -7.541 5.652 96 HB3 GLU 12 HB3 GLU 12 12.623 -5.916 5.803 97 HG2 GLU 12 HG2 GLU 12 14.749 -6.777 6.521 98 HG3 GLU 12 HG3 GLU 12 14.111 -8.421 6.554 99 H ARG 13 H ARG 13 11.452 -4.829 9.005 100 HA ARG 13 HA ARG 13 8.616 -5.200 8.748 101 HB2 ARG 13 HB2 ARG 13 8.490 -3.040 9.994 102 HB3 ARG 13 HB3 ARG 13 9.446 -4.274 10.802 103 HG2 ARG 13 HG2 ARG 13 11.241 -2.833 9.204 104 HG3 ARG 13 HG3 ARG 13 10.201 -1.638 9.980 105 HD2 ARG 13 HD2 ARG 13 10.749 -2.440 12.146 106 HD3 ARG 13 HD3 ARG 13 11.531 -3.876 11.487 107 HE ARG 13 HE ARG 13 12.883 -1.675 10.474 108 HH11 ARG 13 HH11 ARG 13 12.256 -3.129 13.574 109 HH12 ARG 13 HH12 ARG 13 13.737 -2.572 14.281 110 HH21 ARG 13 HH21 ARG 13 14.836 -0.936 11.393 111 HH22 ARG 13 HH22 ARG 13 15.203 -1.324 13.040 112 H SER 14 H SER 14 11.073 -3.326 7.148 113 HA SER 14 HA SER 14 9.414 -1.395 5.933 114 HB2 SER 14 HB2 SER 14 11.401 -1.480 4.176 115 HB3 SER 14 HB3 SER 14 11.634 -0.793 5.783 116 HG SER 14 HG SER 14 13.200 -2.203 5.860 117 H ASN 15 H ASN 15 10.593 -4.547 4.803 118 HA ASN 15 HA ASN 15 9.276 -4.397 2.282 119 HB2 ASN 15 HB2 ASN 15 10.777 -6.463 3.802 120 HB3 ASN 15 HB3 ASN 15 9.672 -7.039 2.557 121 HD21 ASN 15 HD21 ASN 15 12.213 -4.619 3.061 122 HD22 ASN 15 HD22 ASN 15 12.921 -4.788 1.493 123 H GLN 16 H GLN 16 8.156 -4.941 5.409 124 HA GLN 16 HA GLN 16 6.160 -6.864 5.052 125 HB2 GLN 16 HB2 GLN 16 7.044 -5.491 7.176 126 HB3 GLN 16 HB3 GLN 16 5.584 -4.567 6.846 127 HG2 GLN 16 HG2 GLN 16 5.332 -7.515 6.919 128 HG3 GLN 16 HG3 GLN 16 5.618 -6.684 8.448 129 HE21 GLN 16 HE21 GLN 16 3.260 -8.016 6.862 130 HE22 GLN 16 HE22 GLN 16 1.949 -6.940 7.193 131 H ALA 17 H ALA 17 5.801 -3.312 5.019 132 HA ALA 17 HA ALA 17 3.155 -3.163 4.265 133 HB1 ALA 17 HB1 ALA 17 5.484 -1.376 4.090 134 HB2 ALA 17 HB2 ALA 17 4.165 -1.010 2.977 135 HB3 ALA 17 HB3 ALA 17 3.861 -1.075 4.713 136 H GLU 18 H GLU 18 6.009 -3.403 2.164 137 HA GLU 18 HA GLU 18 4.762 -3.161 -0.301 138 HB2 GLU 18 HB2 GLU 18 7.186 -3.194 -0.059 139 HB3 GLU 18 HB3 GLU 18 7.134 -4.875 0.453 140 HG2 GLU 18 HG2 GLU 18 5.820 -4.846 -1.994 141 HG3 GLU 18 HG3 GLU 18 7.189 -3.755 -2.203 142 H ASN 19 H ASN 19 5.306 -6.088 1.637 143 HA ASN 19 HA ASN 19 4.158 -7.896 -0.191 144 HB2 ASN 19 HB2 ASN 19 5.508 -8.848 1.490 145 HB3 ASN 19 HB3 ASN 19 4.657 -7.998 2.777 146 HD21 ASN 19 HD21 ASN 19 3.962 -9.652 3.986 147 HD22 ASN 19 HD22 ASN 19 2.914 -10.907 3.429 148 H ILE 20 H ILE 20 2.791 -6.035 2.481 149 HA ILE 20 HA ILE 20 0.246 -7.199 2.534 150 HB ILE 20 HB ILE 20 0.997 -4.341 3.159 151 HG12 ILE 20 HG12 ILE 20 0.574 -6.560 5.146 152 HG13 ILE 20 HG13 ILE 20 2.148 -6.296 4.401 153 HG21 ILE 20 HG21 ILE 20 -1.177 -5.288 4.716 154 HG22 ILE 20 HG22 ILE 20 -1.152 -3.963 3.553 155 HG23 ILE 20 HG23 ILE 20 -1.540 -5.599 3.019 156 HD11 ILE 20 HD11 ILE 20 0.906 -3.900 5.545 157 HD12 ILE 20 HD12 ILE 20 1.331 -5.157 6.707 158 HD13 ILE 20 HD13 ILE 20 2.568 -4.483 5.644 159 H ILE 21 H ILE 21 1.245 -4.164 0.941 160 HA ILE 21 HA ILE 21 -1.106 -3.556 -0.349 161 HB ILE 21 HB ILE 21 1.685 -3.162 -1.434 162 HG12 ILE 21 HG12 ILE 21 -0.038 -1.222 0.114 163 HG13 ILE 21 HG13 ILE 21 1.205 -2.222 0.857 164 HG21 ILE 21 HG21 ILE 21 0.617 -1.249 -2.651 165 HG22 ILE 21 HG22 ILE 21 0.129 -2.849 -3.208 166 HG23 ILE 21 HG23 ILE 21 -0.949 -1.907 -2.176 167 HD11 ILE 21 HD11 ILE 21 2.849 -1.162 -0.708 168 HD12 ILE 21 HD12 ILE 21 1.569 -0.037 -1.168 169 HD13 ILE 21 HD13 ILE 21 2.144 -0.085 0.498 170 H THR 22 H THR 22 1.489 -5.699 -1.461 171 HA THR 22 HA THR 22 0.511 -6.268 -4.005 172 HB THR 22 HB THR 22 1.919 -8.290 -2.264 173 HG1 THR 22 HG1 THR 22 3.371 -6.726 -2.126 174 HG21 THR 22 HG21 THR 22 1.255 -9.243 -4.332 175 HG22 THR 22 HG22 THR 22 2.966 -8.852 -4.502 176 HG23 THR 22 HG23 THR 22 1.746 -7.809 -5.233 177 H ASP 23 H ASP 23 -0.423 -7.525 -0.876 178 HA ASP 23 HA ASP 23 -1.808 -9.815 -1.625 179 HB2 ASP 23 HB2 ASP 23 -1.314 -8.769 0.733 180 HB3 ASP 23 HB3 ASP 23 -2.903 -8.037 0.522 181 H LEU 24 H LEU 24 -3.345 -6.681 -0.881 182 HA LEU 24 HA LEU 24 -5.857 -7.222 -1.843 183 HB2 LEU 24 HB2 LEU 24 -4.304 -4.644 -1.869 184 HB3 LEU 24 HB3 LEU 24 -6.011 -4.745 -2.293 185 HG LEU 24 HG LEU 24 -4.764 -5.315 0.393 186 HD11 LEU 24 HD11 LEU 24 -5.154 -2.923 -0.393 187 HD12 LEU 24 HD12 LEU 24 -5.863 -3.391 1.152 188 HD13 LEU 24 HD13 LEU 24 -6.876 -3.294 -0.290 189 HD21 LEU 24 HD21 LEU 24 -6.516 -6.922 0.043 190 HD22 LEU 24 HD22 LEU 24 -7.608 -5.668 -0.547 191 HD23 LEU 24 HD23 LEU 24 -7.103 -5.675 1.144 192 H LEU 25 H LEU 25 -3.017 -6.179 -3.656 193 HA LEU 25 HA LEU 25 -4.204 -5.624 -6.106 194 HB2 LEU 25 HB2 LEU 25 -1.538 -6.218 -5.119 195 HB3 LEU 25 HB3 LEU 25 -1.793 -6.818 -6.757 196 HG LEU 25 HG LEU 25 -0.761 -4.554 -6.630 197 HD11 LEU 25 HD11 LEU 25 -3.407 -4.930 -8.002 198 HD12 LEU 25 HD12 LEU 25 -1.788 -5.123 -8.672 199 HD13 LEU 25 HD13 LEU 25 -2.387 -3.515 -8.267 200 HD21 LEU 25 HD21 LEU 25 -1.926 -3.692 -4.691 201 HD22 LEU 25 HD22 LEU 25 -3.469 -3.792 -5.542 202 HD23 LEU 25 HD23 LEU 25 -2.233 -2.656 -6.086 203 H ASP 26 H ASP 26 -3.011 -8.713 -4.833 204 HA ASP 26 HA ASP 26 -3.523 -10.256 -7.122 205 HB2 ASP 26 HB2 ASP 26 -2.132 -10.948 -5.145 206 HB3 ASP 26 HB3 ASP 26 -3.629 -11.220 -4.259 207 H ASP 27 H ASP 27 -5.460 -9.962 -4.139 208 HA ASP 27 HA ASP 27 -7.655 -11.444 -5.030 209 HB2 ASP 27 HB2 ASP 27 -7.037 -10.458 -2.662 210 HB3 ASP 27 HB3 ASP 27 -8.063 -9.125 -3.186 211 H LEU 28 H LEU 28 -6.706 -8.170 -5.676 212 HA LEU 28 HA LEU 28 -9.237 -7.218 -6.557 213 HB2 LEU 28 HB2 LEU 28 -6.469 -6.267 -6.519 214 HB3 LEU 28 HB3 LEU 28 -7.407 -5.689 -7.894 215 HG LEU 28 HG LEU 28 -8.115 -5.309 -4.985 216 HD11 LEU 28 HD11 LEU 28 -7.602 -3.000 -6.726 217 HD12 LEU 28 HD12 LEU 28 -6.192 -3.989 -6.356 218 HD13 LEU 28 HD13 LEU 28 -7.142 -3.286 -5.048 219 HD21 LEU 28 HD21 LEU 28 -10.156 -4.722 -5.628 220 HD22 LEU 28 HD22 LEU 28 -9.774 -5.312 -7.245 221 HD23 LEU 28 HD23 LEU 28 -9.506 -3.616 -6.838 222 H LYS 29 H LYS 29 -6.652 -9.004 -8.052 223 HA LYS 29 HA LYS 29 -7.019 -8.555 -10.732 224 HB2 LYS 29 HB2 LYS 29 -5.307 -10.061 -9.734 225 HB3 LYS 29 HB3 LYS 29 -6.563 -11.262 -9.466 226 HG2 LYS 29 HG2 LYS 29 -6.971 -11.290 -11.921 227 HG3 LYS 29 HG3 LYS 29 -5.575 -10.226 -12.112 228 HD2 LYS 29 HD2 LYS 29 -4.820 -12.451 -12.498 229 HD3 LYS 29 HD3 LYS 29 -4.212 -11.963 -10.913 230 HE2 LYS 29 HE2 LYS 29 -5.817 -13.272 -9.786 231 HE3 LYS 29 HE3 LYS 29 -6.778 -13.493 -11.248 232 HZ1 LYS 29 HZ1 LYS 29 -5.197 -15.366 -10.385 233 HZ2 LYS 29 HZ2 LYS 29 -4.020 -14.486 -11.223 234 HZ3 LYS 29 HZ3 LYS 29 -5.372 -15.084 -12.044 235 H THR 30 H THR 30 -8.614 -11.191 -8.928 236 HA THR 30 HA THR 30 -10.635 -11.375 -11.024 237 HB THR 30 HB THR 30 -11.447 -13.319 -9.506 238 HG1 THR 30 HG1 THR 30 -10.327 -13.274 -7.683 239 HG21 THR 30 HG21 THR 30 -10.566 -14.214 -11.380 240 HG22 THR 30 HG22 THR 30 -9.192 -14.586 -10.340 241 HG23 THR 30 HG23 THR 30 -9.166 -13.144 -11.354 242 H ASP 31 H ASP 31 -11.234 -9.091 -10.157 243 HA ASP 31 HA ASP 31 -13.711 -9.366 -8.771 244 HB2 ASP 31 HB2 ASP 31 -11.726 -9.243 -7.003 245 HB3 ASP 31 HB3 ASP 31 -11.878 -7.516 -7.319 246 H LEU 32 H LEU 32 -14.510 -6.983 -8.187 247 HA LEU 32 HA LEU 32 -13.641 -5.138 -10.298 248 HB2 LEU 32 HB2 LEU 32 -16.161 -4.592 -10.521 249 HB3 LEU 32 HB3 LEU 32 -15.494 -5.989 -11.364 250 HG LEU 32 HG LEU 32 -16.713 -6.403 -8.678 251 HD11 LEU 32 HD11 LEU 32 -18.795 -5.891 -9.257 252 HD12 LEU 32 HD12 LEU 32 -18.644 -6.732 -10.799 253 HD13 LEU 32 HD13 LEU 32 -18.124 -5.053 -10.657 254 HD21 LEU 32 HD21 LEU 32 -17.266 -8.175 -10.958 255 HD22 LEU 32 HD22 LEU 32 -16.777 -8.560 -9.307 256 HD23 LEU 32 HD23 LEU 32 -15.569 -8.058 -10.490 257 H ASP 33 H ASP 33 -13.034 -5.076 -7.529 258 HA ASP 33 HA ASP 33 -14.781 -3.167 -6.258 259 HB2 ASP 33 HB2 ASP 33 -12.282 -4.612 -5.511 260 HB3 ASP 33 HB3 ASP 33 -12.664 -3.126 -4.647 261 H ASN 34 H ASN 34 -11.348 -3.078 -7.234 262 HA ASN 34 HA ASN 34 -11.675 -0.192 -7.735 263 HB2 ASN 34 HB2 ASN 34 -9.410 -1.661 -6.400 264 HB3 ASN 34 HB3 ASN 34 -9.176 -0.074 -7.125 265 HD21 ASN 34 HD21 ASN 34 -8.575 0.210 -4.755 266 HD22 ASN 34 HD22 ASN 34 -9.838 0.765 -3.715 267 H GLU 35 H GLU 35 -11.093 0.501 -9.697 268 HA GLU 35 HA GLU 35 -9.713 -1.405 -11.464 269 HB2 GLU 35 HB2 GLU 35 -12.088 -0.495 -11.978 270 HB3 GLU 35 HB3 GLU 35 -11.255 0.986 -12.426 271 HG2 GLU 35 HG2 GLU 35 -10.162 -1.459 -13.623 272 HG3 GLU 35 HG3 GLU 35 -11.802 -1.045 -14.121 273 H SER 36 H SER 36 -10.094 2.138 -11.295 274 HA SER 36 HA SER 36 -7.400 2.483 -12.315 275 HB2 SER 36 HB2 SER 36 -9.405 4.598 -11.500 276 HB3 SER 36 HB3 SER 36 -7.949 4.841 -12.463 277 HG SER 36 HG SER 36 -10.347 4.260 -13.339 278 H LEU 37 H LEU 37 -9.072 2.583 -9.295 279 HA LEU 37 HA LEU 37 -7.417 4.261 -7.802 280 HB2 LEU 37 HB2 LEU 37 -9.636 2.842 -7.272 281 HB3 LEU 37 HB3 LEU 37 -8.438 1.832 -6.467 282 HG LEU 37 HG LEU 37 -9.358 3.293 -4.835 283 HD11 LEU 37 HD11 LEU 37 -6.809 4.698 -5.501 284 HD12 LEU 37 HD12 LEU 37 -6.787 2.990 -5.068 285 HD13 LEU 37 HD13 LEU 37 -7.429 4.178 -3.934 286 HD21 LEU 37 HD21 LEU 37 -9.953 5.441 -5.152 287 HD22 LEU 37 HD22 LEU 37 -9.892 5.001 -6.860 288 HD23 LEU 37 HD23 LEU 37 -8.517 5.810 -6.106 289 H LYS 38 H LYS 38 -7.001 0.936 -8.804 290 HA LYS 38 HA LYS 38 -5.027 0.053 -7.095 291 HB2 LYS 38 HB2 LYS 38 -5.477 -0.464 -10.029 292 HB3 LYS 38 HB3 LYS 38 -4.199 -1.269 -9.127 293 HG2 LYS 38 HG2 LYS 38 -5.638 -2.610 -8.018 294 HG3 LYS 38 HG3 LYS 38 -6.905 -1.384 -7.952 295 HD2 LYS 38 HD2 LYS 38 -7.645 -3.168 -9.376 296 HD3 LYS 38 HD3 LYS 38 -7.304 -1.758 -10.381 297 HE2 LYS 38 HE2 LYS 38 -4.894 -3.024 -10.376 298 HE3 LYS 38 HE3 LYS 38 -6.006 -4.390 -10.306 299 HZ1 LYS 38 HZ1 LYS 38 -6.455 -2.239 -12.264 300 HZ2 LYS 38 HZ2 LYS 38 -6.922 -3.862 -12.334 301 HZ3 LYS 38 HZ3 LYS 38 -5.304 -3.436 -12.585 302 H LYS 39 H LYS 39 -4.823 2.431 -9.611 303 HA LYS 39 HA LYS 39 -2.128 2.462 -10.210 304 HB2 LYS 39 HB2 LYS 39 -2.423 4.678 -10.964 305 HB3 LYS 39 HB3 LYS 39 -3.989 3.907 -11.181 306 HG2 LYS 39 HG2 LYS 39 -4.810 4.954 -9.150 307 HG3 LYS 39 HG3 LYS 39 -3.228 5.687 -8.873 308 HD2 LYS 39 HD2 LYS 39 -4.585 7.366 -9.853 309 HD3 LYS 39 HD3 LYS 39 -3.491 6.808 -11.121 310 HE2 LYS 39 HE2 LYS 39 -5.251 5.394 -12.032 311 HE3 LYS 39 HE3 LYS 39 -6.342 5.895 -10.742 312 HZ1 LYS 39 HZ1 LYS 39 -5.977 8.229 -11.599 313 HZ2 LYS 39 HZ2 LYS 39 -6.899 7.205 -12.581 314 HZ3 LYS 39 HZ3 LYS 39 -5.284 7.524 -12.972 315 H VAL 40 H VAL 40 -3.781 3.703 -7.370 316 HA VAL 40 HA VAL 40 -1.589 5.145 -6.297 317 HB VAL 40 HB VAL 40 -4.096 4.029 -5.063 318 HG11 VAL 40 HG11 VAL 40 -1.850 5.500 -3.698 319 HG12 VAL 40 HG12 VAL 40 -3.472 5.338 -3.023 320 HG13 VAL 40 HG13 VAL 40 -2.487 3.903 -3.305 321 HG21 VAL 40 HG21 VAL 40 -4.980 5.993 -5.612 322 HG22 VAL 40 HG22 VAL 40 -3.670 6.861 -4.811 323 HG23 VAL 40 HG23 VAL 40 -3.498 6.362 -6.495 324 H LEU 41 H LEU 41 -3.015 2.100 -5.096 325 HA LEU 41 HA LEU 41 -0.979 1.387 -3.377 326 HB2 LEU 41 HB2 LEU 41 -2.965 -0.211 -4.944 327 HB3 LEU 41 HB3 LEU 41 -1.754 -1.021 -3.951 328 HG LEU 41 HG LEU 41 -2.634 0.238 -1.983 329 HD11 LEU 41 HD11 LEU 41 -4.500 1.247 -4.077 330 HD12 LEU 41 HD12 LEU 41 -3.730 2.106 -2.743 331 HD13 LEU 41 HD13 LEU 41 -5.086 1.023 -2.427 332 HD21 LEU 41 HD21 LEU 41 -3.457 -2.094 -3.030 333 HD22 LEU 41 HD22 LEU 41 -4.981 -1.206 -3.041 334 HD23 LEU 41 HD23 LEU 41 -4.097 -1.422 -1.530 335 H GLU 42 H GLU 42 -1.348 0.487 -6.798 336 HA GLU 42 HA GLU 42 0.936 -1.097 -7.025 337 HB2 GLU 42 HB2 GLU 42 -0.426 0.642 -9.086 338 HB3 GLU 42 HB3 GLU 42 0.829 -0.529 -9.462 339 HG2 GLU 42 HG2 GLU 42 -1.167 -1.837 -7.926 340 HG3 GLU 42 HG3 GLU 42 -1.958 -0.941 -9.223 341 H ASN 43 H ASN 43 0.554 2.360 -7.812 342 HA ASN 43 HA ASN 43 3.193 2.879 -8.515 343 HB2 ASN 43 HB2 ASN 43 1.002 4.600 -7.386 344 HB3 ASN 43 HB3 ASN 43 2.604 5.267 -7.684 345 HD21 ASN 43 HD21 ASN 43 1.635 6.671 -9.211 346 HD22 ASN 43 HD22 ASN 43 1.236 6.110 -10.796 347 H TYR 44 H TYR 44 1.682 3.680 -5.382 348 HA TYR 44 HA TYR 44 3.971 4.383 -4.016 349 HB2 TYR 44 HB2 TYR 44 1.350 3.225 -3.138 350 HB3 TYR 44 HB3 TYR 44 2.636 3.461 -1.962 351 HD1 TYR 44 HD2 TYR 44 3.840 5.981 -2.782 352 HD2 TYR 44 HD1 TYR 44 -0.259 4.840 -2.714 353 HE1 TYR 44 HE2 TYR 44 3.193 8.341 -2.544 354 HE2 TYR 44 HE1 TYR 44 -0.917 7.198 -2.477 355 HH TYR 44 HH TYR 44 1.511 9.761 -2.171 356 H LEU 45 H LEU 45 2.604 1.169 -4.524 357 HA LEU 45 HA LEU 45 4.228 -0.291 -2.798 358 HB2 LEU 45 HB2 LEU 45 2.308 -1.275 -3.868 359 HB3 LEU 45 HB3 LEU 45 3.040 -1.062 -5.457 360 HG LEU 45 HG LEU 45 4.729 -2.732 -4.923 361 HD11 LEU 45 HD11 LEU 45 3.483 -2.557 -2.228 362 HD12 LEU 45 HD12 LEU 45 5.181 -2.695 -2.684 363 HD13 LEU 45 HD13 LEU 45 4.130 -4.108 -2.764 364 HD21 LEU 45 HD21 LEU 45 3.389 -4.562 -5.277 365 HD22 LEU 45 HD22 LEU 45 2.284 -3.257 -5.710 366 HD23 LEU 45 HD23 LEU 45 2.164 -4.026 -4.127 367 H GLU 46 H GLU 46 4.796 0.741 -6.132 368 HA GLU 46 HA GLU 46 7.248 -0.643 -6.459 369 HB2 GLU 46 HB2 GLU 46 5.579 1.027 -8.033 370 HB3 GLU 46 HB3 GLU 46 7.191 1.728 -8.061 371 HG2 GLU 46 HG2 GLU 46 7.068 0.269 -9.901 372 HG3 GLU 46 HG3 GLU 46 8.053 -0.547 -8.688 373 H GLU 47 H GLU 47 6.392 2.484 -5.145 374 HA GLU 47 HA GLU 47 8.854 3.764 -5.183 375 HB2 GLU 47 HB2 GLU 47 6.788 3.909 -2.981 376 HB3 GLU 47 HB3 GLU 47 8.032 5.104 -3.322 377 HG2 GLU 47 HG2 GLU 47 6.023 4.375 -5.409 378 HG3 GLU 47 HG3 GLU 47 5.615 5.516 -4.129 379 H LEU 48 H LEU 48 7.567 1.427 -2.867 380 HA LEU 48 HA LEU 48 9.607 1.589 -0.956 381 HB2 LEU 48 HB2 LEU 48 7.849 -0.722 -1.755 382 HB3 LEU 48 HB3 LEU 48 8.907 -0.731 -0.345 383 HG LEU 48 HG LEU 48 7.358 1.560 -0.042 384 HD11 LEU 48 HD11 LEU 48 5.413 -0.634 -0.547 385 HD12 LEU 48 HD12 LEU 48 5.976 0.333 -1.909 386 HD13 LEU 48 HD13 LEU 48 5.172 1.112 -0.546 387 HD21 LEU 48 HD21 LEU 48 6.736 0.581 1.940 388 HD22 LEU 48 HD22 LEU 48 8.173 -0.360 1.541 389 HD23 LEU 48 HD23 LEU 48 6.568 -1.021 1.224 390 H LYS 49 H LYS 49 9.547 0.167 -4.095 391 HA LYS 49 HA LYS 49 11.685 -1.681 -3.721 392 HB2 LYS 49 HB2 LYS 49 10.886 -0.426 -6.342 393 HB3 LYS 49 HB3 LYS 49 11.622 -2.000 -6.074 394 HG2 LYS 49 HG2 LYS 49 8.830 -1.197 -5.282 395 HG3 LYS 49 HG3 LYS 49 9.273 -2.212 -6.656 396 HD2 LYS 49 HD2 LYS 49 10.303 -3.818 -5.056 397 HD3 LYS 49 HD3 LYS 49 9.678 -2.833 -3.732 398 HE2 LYS 49 HE2 LYS 49 8.006 -4.388 -3.915 399 HE3 LYS 49 HE3 LYS 49 7.401 -3.143 -5.007 400 HZ1 LYS 49 HZ1 LYS 49 8.239 -5.824 -5.582 401 HZ2 LYS 49 HZ2 LYS 49 8.963 -4.686 -6.603 402 HZ3 LYS 49 HZ3 LYS 49 7.278 -4.774 -6.496 403 H GLN 50 H GLN 50 11.468 1.680 -4.734 404 HA GLN 50 HA GLN 50 14.240 1.865 -5.463 405 HB2 GLN 50 HB2 GLN 50 12.371 4.157 -4.866 406 HB3 GLN 50 HB3 GLN 50 13.818 4.180 -5.866 407 HG2 GLN 50 HG2 GLN 50 12.743 2.793 -7.523 408 HG3 GLN 50 HG3 GLN 50 11.312 2.642 -6.505 409 HE21 GLN 50 HE21 GLN 50 10.023 3.509 -8.151 410 HE22 GLN 50 HE22 GLN 50 10.024 5.199 -8.509 411 H LYS 51 H LYS 51 15.853 3.070 -4.374 412 HA LYS 51 HA LYS 51 15.584 2.955 -1.471 413 HB2 LYS 51 HB2 LYS 51 17.998 3.171 -1.409 414 HB3 LYS 51 HB3 LYS 51 17.549 1.914 -2.553 415 HG2 LYS 51 HG2 LYS 51 17.746 3.744 -4.339 416 HG3 LYS 51 HG3 LYS 51 18.611 4.659 -3.102 417 HD2 LYS 51 HD2 LYS 51 19.413 1.840 -3.683 418 HD3 LYS 51 HD3 LYS 51 19.923 3.134 -4.773 419 HE2 LYS 51 HE2 LYS 51 21.684 3.089 -3.301 420 HE3 LYS 51 HE3 LYS 51 20.654 4.304 -2.545 421 HZ1 LYS 51 HZ1 LYS 51 20.241 2.986 -0.796 422 HZ2 LYS 51 HZ2 LYS 51 21.654 2.184 -1.266 423 HZ3 LYS 51 HZ3 LYS 51 20.144 1.574 -1.724 424 H SER 52 H SER 52 14.538 5.113 -3.426 425 HA SER 52 HA SER 52 15.939 7.480 -2.519 426 HB2 SER 52 HB2 SER 52 15.118 7.471 -4.799 427 HB3 SER 52 HB3 SER 52 13.477 7.132 -4.246 428 HG SER 52 HG SER 52 13.465 9.278 -4.499 429 H ALA 53 H ALA 53 12.443 6.833 -2.580 430 HA ALA 53 HA ALA 53 11.988 8.488 -0.295 431 HB1 ALA 53 HB1 ALA 53 9.633 7.512 -0.500 432 HB2 ALA 53 HB2 ALA 53 10.241 8.470 -1.851 433 HB3 ALA 53 HB3 ALA 53 10.229 6.710 -1.953 434 H SER 54 H SER 54 11.667 7.945 1.799 435 HA SER 54 HA SER 54 12.599 5.394 2.690 436 HB2 SER 54 HB2 SER 54 11.306 7.634 4.263 437 HB3 SER 54 HB3 SER 54 12.177 6.262 4.948 438 HG SER 54 HG SER 54 14.003 7.205 4.491 439 H VAL 55 H VAL 55 11.417 3.925 4.064 440 HA VAL 55 HA VAL 55 9.045 2.999 2.996 441 HB VAL 55 HB VAL 55 10.463 2.531 5.568 442 HG11 VAL 55 HG11 VAL 55 8.576 0.865 6.115 443 HG12 VAL 55 HG12 VAL 55 8.336 2.566 6.516 444 HG13 VAL 55 HG13 VAL 55 7.578 1.883 5.077 445 HG21 VAL 55 HG21 VAL 55 10.012 1.194 3.043 446 HG22 VAL 55 HG22 VAL 55 11.237 0.889 4.274 447 HG23 VAL 55 HG23 VAL 55 9.647 0.140 4.409 448 HA PRO 56 HA PRO 56 6.613 5.169 6.567 449 HB2 PRO 56 HB2 PRO 56 7.956 7.011 8.041 450 HB3 PRO 56 HB3 PRO 56 7.897 5.297 8.467 451 HG2 PRO 56 HG2 PRO 56 10.054 6.826 7.066 452 HG3 PRO 56 HG3 PRO 56 10.199 5.603 8.342 453 HD2 PRO 56 HD2 PRO 56 10.622 5.038 5.728 454 HD3 PRO 56 HD3 PRO 56 9.951 3.852 6.864 455 H LEU 57 H LEU 57 8.796 6.687 4.424 456 HA LEU 57 HA LEU 57 7.554 9.290 4.490 457 HB2 LEU 57 HB2 LEU 57 9.781 8.004 3.030 458 HB3 LEU 57 HB3 LEU 57 8.972 9.342 2.216 459 HG LEU 57 HG LEU 57 10.298 9.471 4.925 460 HD11 LEU 57 HD11 LEU 57 11.270 9.852 2.198 461 HD12 LEU 57 HD12 LEU 57 12.161 9.602 3.699 462 HD13 LEU 57 HD13 LEU 57 11.593 11.215 3.270 463 HD21 LEU 57 HD21 LEU 57 10.002 11.997 4.342 464 HD22 LEU 57 HD22 LEU 57 8.669 11.093 5.059 465 HD23 LEU 57 HD23 LEU 57 8.688 11.409 3.323 466 H ILE 58 H ILE 58 7.148 6.318 2.767 467 HA ILE 58 HA ILE 58 5.400 7.598 0.793 468 HB ILE 58 HB ILE 58 6.411 4.755 0.933 469 HG12 ILE 58 HG12 ILE 58 7.129 6.551 -1.306 470 HG13 ILE 58 HG13 ILE 58 7.852 6.943 0.252 471 HG21 ILE 58 HG21 ILE 58 5.483 5.352 -1.640 472 HG22 ILE 58 HG22 ILE 58 4.767 4.246 -0.469 473 HG23 ILE 58 HG23 ILE 58 4.238 5.927 -0.532 474 HD11 ILE 58 HD11 ILE 58 8.930 5.243 -1.524 475 HD12 ILE 58 HD12 ILE 58 9.204 5.151 0.217 476 HD13 ILE 58 HD13 ILE 58 7.995 4.116 -0.542 477 H LEU 59 H LEU 59 5.368 4.857 3.070 478 HA LEU 59 HA LEU 59 2.735 4.088 2.821 479 HB2 LEU 59 HB2 LEU 59 4.576 4.112 5.193 480 HB3 LEU 59 HB3 LEU 59 2.946 3.446 5.285 481 HG LEU 59 HG LEU 59 5.074 2.464 3.387 482 HD11 LEU 59 HD11 LEU 59 4.153 1.019 5.842 483 HD12 LEU 59 HD12 LEU 59 5.483 2.174 5.913 484 HD13 LEU 59 HD13 LEU 59 5.602 0.757 4.870 485 HD21 LEU 59 HD21 LEU 59 2.376 2.157 3.223 486 HD22 LEU 59 HD22 LEU 59 2.835 0.739 4.166 487 HD23 LEU 59 HD23 LEU 59 3.561 1.019 2.582 488 H SER 60 H SER 60 4.062 6.857 4.482 489 HA SER 60 HA SER 60 1.787 7.516 6.024 490 HB2 SER 60 HB2 SER 60 2.834 9.813 6.094 491 HB3 SER 60 HB3 SER 60 3.895 8.503 6.608 492 HG SER 60 HG SER 60 4.543 10.241 4.900 493 H ARG 61 H ARG 61 2.869 8.527 2.805 494 HA ARG 61 HA ARG 61 0.675 10.300 2.373 495 HB2 ARG 61 HB2 ARG 61 2.283 9.051 0.166 496 HB3 ARG 61 HB3 ARG 61 1.560 10.652 0.232 497 HG2 ARG 61 HG2 ARG 61 3.987 9.684 1.720 498 HG3 ARG 61 HG3 ARG 61 3.922 10.886 0.429 499 HD2 ARG 61 HD2 ARG 61 2.136 11.803 2.363 500 HD3 ARG 61 HD3 ARG 61 3.525 11.207 3.273 501 HE ARG 61 HE ARG 61 4.480 12.772 1.169 502 HH11 ARG 61 HH11 ARG 61 2.625 13.136 4.093 503 HH12 ARG 61 HH12 ARG 61 3.127 14.772 4.363 504 HH21 ARG 61 HH21 ARG 61 5.148 14.925 1.514 505 HH22 ARG 61 HH22 ARG 61 4.562 15.789 2.894 506 H MET 62 H MET 62 1.295 6.916 1.737 507 HA MET 62 HA MET 62 -0.615 6.310 -0.148 508 HB2 MET 62 HB2 MET 62 1.110 4.804 1.123 509 HB3 MET 62 HB3 MET 62 -0.242 4.493 2.204 510 HG2 MET 62 HG2 MET 62 -1.562 3.663 0.341 511 HG3 MET 62 HG3 MET 62 -0.236 4.011 -0.766 512 HE1 MET 62 HE1 MET 62 -0.284 2.132 2.894 513 HE2 MET 62 HE2 MET 62 -1.737 1.892 1.924 514 HE3 MET 62 HE3 MET 62 -0.619 0.552 2.185 515 H ASN 63 H ASN 63 -1.095 6.047 3.381 516 HA ASN 63 HA ASN 63 -3.827 5.556 3.330 517 HB2 ASN 63 HB2 ASN 63 -2.442 7.160 5.481 518 HB3 ASN 63 HB3 ASN 63 -3.853 6.120 5.651 519 HD21 ASN 63 HD21 ASN 63 -1.089 6.174 6.867 520 HD22 ASN 63 HD22 ASN 63 -0.518 4.553 6.686 521 H LEU 64 H LEU 64 -2.130 8.669 3.592 522 HA LEU 64 HA LEU 64 -4.489 10.242 3.687 523 HB2 LEU 64 HB2 LEU 64 -1.593 10.773 3.227 524 HB3 LEU 64 HB3 LEU 64 -2.760 12.037 2.843 525 HG LEU 64 HG LEU 64 -3.583 11.790 5.238 526 HD11 LEU 64 HD11 LEU 64 -0.909 10.478 5.651 527 HD12 LEU 64 HD12 LEU 64 -2.422 9.578 5.557 528 HD13 LEU 64 HD13 LEU 64 -2.180 10.762 6.841 529 HD21 LEU 64 HD21 LEU 64 -2.316 13.709 4.567 530 HD22 LEU 64 HD22 LEU 64 -0.806 12.800 4.644 531 HD23 LEU 64 HD23 LEU 64 -1.700 13.155 6.124 532 H ASP 65 H ASP 65 -3.067 8.514 1.185 533 HA ASP 65 HA ASP 65 -4.078 10.289 -0.909 534 HB2 ASP 65 HB2 ASP 65 -1.791 9.233 -1.074 535 HB3 ASP 65 HB3 ASP 65 -2.599 7.677 -1.253 536 H ILE 66 H ILE 66 -4.245 6.806 -0.147 537 HA ILE 66 HA ILE 66 -6.336 6.172 -1.867 538 HB ILE 66 HB ILE 66 -5.765 4.889 0.807 539 HG12 ILE 66 HG12 ILE 66 -4.693 4.197 -1.936 540 HG13 ILE 66 HG13 ILE 66 -3.777 5.001 -0.666 541 HG21 ILE 66 HG21 ILE 66 -7.917 4.230 -0.062 542 HG22 ILE 66 HG22 ILE 66 -7.207 3.871 -1.635 543 HG23 ILE 66 HG23 ILE 66 -6.782 2.891 -0.231 544 HD11 ILE 66 HD11 ILE 66 -4.225 2.963 0.757 545 HD12 ILE 66 HD12 ILE 66 -4.804 2.185 -0.716 546 HD13 ILE 66 HD13 ILE 66 -3.135 2.745 -0.612 547 H SER 67 H SER 67 -6.453 7.162 1.542 548 HA SER 67 HA SER 67 -9.133 6.883 2.064 549 HB2 SER 67 HB2 SER 67 -7.065 8.828 3.019 550 HB3 SER 67 HB3 SER 67 -8.747 9.056 3.498 551 HG SER 67 HG SER 67 -7.020 7.474 4.622 552 H LYS 68 H LYS 68 -7.528 9.688 0.584 553 HA LYS 68 HA LYS 68 -9.870 11.220 0.226 554 HB2 LYS 68 HB2 LYS 68 -8.465 12.767 -0.608 555 HB3 LYS 68 HB3 LYS 68 -7.191 11.665 -0.107 556 HG2 LYS 68 HG2 LYS 68 -7.291 10.644 -2.386 557 HG3 LYS 68 HG3 LYS 68 -8.396 11.940 -2.849 558 HD2 LYS 68 HD2 LYS 68 -5.788 12.639 -1.581 559 HD3 LYS 68 HD3 LYS 68 -5.814 12.155 -3.278 560 HE2 LYS 68 HE2 LYS 68 -7.602 13.894 -3.626 561 HE3 LYS 68 HE3 LYS 68 -7.267 14.458 -1.990 562 HZ1 LYS 68 HZ1 LYS 68 -6.063 15.471 -4.086 563 HZ2 LYS 68 HZ2 LYS 68 -5.001 14.185 -3.812 564 HZ3 LYS 68 HZ3 LYS 68 -5.277 15.326 -2.595 565 H ALA 69 H ALA 69 -8.349 8.720 -1.691 566 HA ALA 69 HA ALA 69 -9.779 9.170 -4.093 567 HB1 ALA 69 HB1 ALA 69 -8.972 6.402 -3.494 568 HB2 ALA 69 HB2 ALA 69 -8.633 7.408 -4.903 569 HB3 ALA 69 HB3 ALA 69 -7.685 7.606 -3.429 570 H ILE 70 H ILE 70 -10.660 7.776 -1.088 571 HA ILE 70 HA ILE 70 -12.658 5.975 -1.920 572 HB ILE 70 HB ILE 70 -12.649 7.569 0.643 573 HG12 ILE 70 HG12 ILE 70 -11.289 4.946 -0.010 574 HG13 ILE 70 HG13 ILE 70 -10.487 6.472 0.347 575 HG21 ILE 70 HG21 ILE 70 -14.048 5.912 1.537 576 HG22 ILE 70 HG22 ILE 70 -14.708 6.243 -0.064 577 HG23 ILE 70 HG23 ILE 70 -13.726 4.802 0.204 578 HD11 ILE 70 HD11 ILE 70 -10.410 5.016 2.264 579 HD12 ILE 70 HD12 ILE 70 -11.433 6.411 2.611 580 HD13 ILE 70 HD13 ILE 70 -12.166 4.850 2.243 581 H ARG 71 H ARG 71 -13.239 9.124 -0.353 582 HA ARG 71 HA ARG 71 -15.906 9.346 -1.116 583 HB2 ARG 71 HB2 ARG 71 -15.604 11.800 -0.681 584 HB3 ARG 71 HB3 ARG 71 -15.063 10.752 0.623 585 HG2 ARG 71 HG2 ARG 71 -12.758 11.035 -0.062 586 HG3 ARG 71 HG3 ARG 71 -13.268 12.016 -1.437 587 HD2 ARG 71 HD2 ARG 71 -13.862 13.809 -0.106 588 HD3 ARG 71 HD3 ARG 71 -14.079 12.804 1.327 589 HE ARG 71 HE ARG 71 -11.683 14.092 0.494 590 HH11 ARG 71 HH11 ARG 71 -12.909 11.247 2.082 591 HH12 ARG 71 HH12 ARG 71 -11.471 10.988 3.012 592 HH21 ARG 71 HH21 ARG 71 -9.785 13.761 1.714 593 HH22 ARG 71 HH22 ARG 71 -9.695 12.419 2.804 594 H ASN 72 H ASN 72 -13.002 9.985 -2.899 595 HA ASN 72 HA ASN 72 -13.881 11.755 -4.839 596 HB2 ASN 72 HB2 ASN 72 -11.729 9.775 -4.596 597 HB3 ASN 72 HB3 ASN 72 -12.234 10.069 -6.258 598 HD21 ASN 72 HD21 ASN 72 -12.105 12.255 -3.482 599 HD22 ASN 72 HD22 ASN 72 -11.004 13.379 -4.196 600 H ASP 73 H ASP 73 -13.494 8.293 -5.545 601 HA ASP 73 HA ASP 73 -15.753 8.478 -7.396 602 HB2 ASP 73 HB2 ASP 73 -13.431 6.604 -7.108 603 HB3 ASP 73 HB3 ASP 73 -14.873 6.076 -7.970 604 H GLY 74 H GLY 74 -15.973 8.286 -4.415 605 HA2 GLY 74 HA2 GLY 74 -17.228 7.174 -2.844 606 HA3 GLY 74 HA3 GLY 74 -18.245 6.731 -4.206 607 H VAL 75 H VAL 75 -14.933 5.798 -3.292 608 HA VAL 75 HA VAL 75 -15.472 3.049 -3.950 609 HB VAL 75 HB VAL 75 -13.013 4.097 -2.556 610 HG11 VAL 75 HG11 VAL 75 -12.655 1.870 -2.566 611 HG12 VAL 75 HG12 VAL 75 -13.807 1.582 -3.871 612 HG13 VAL 75 HG13 VAL 75 -12.183 2.164 -4.239 613 HG21 VAL 75 HG21 VAL 75 -13.962 4.575 -5.284 614 HG22 VAL 75 HG22 VAL 75 -12.732 5.421 -4.346 615 HG23 VAL 75 HG23 VAL 75 -12.324 3.928 -5.192 616 H THR 76 H THR 76 -15.204 1.265 -2.494 617 HA THR 76 HA THR 76 -15.514 1.894 0.355 618 HB THR 76 HB THR 76 -17.252 -0.196 -0.942 619 HG1 THR 76 HG1 THR 76 -18.908 1.553 -0.669 620 HG21 THR 76 HG21 THR 76 -16.843 0.867 1.742 621 HG22 THR 76 HG22 THR 76 -17.617 -0.632 1.226 622 HG23 THR 76 HG23 THR 76 -18.536 0.873 1.251 623 H LEU 77 H LEU 77 -13.845 0.918 1.295 624 HA LEU 77 HA LEU 77 -12.563 -1.383 0.177 625 HB2 LEU 77 HB2 LEU 77 -12.177 -0.278 2.946 626 HB3 LEU 77 HB3 LEU 77 -11.042 -1.231 1.993 627 HG LEU 77 HG LEU 77 -11.445 1.009 0.435 628 HD11 LEU 77 HD11 LEU 77 -10.768 2.319 2.939 629 HD12 LEU 77 HD12 LEU 77 -12.429 1.726 2.905 630 HD13 LEU 77 HD13 LEU 77 -11.860 2.829 1.651 631 HD21 LEU 77 HD21 LEU 77 -9.201 1.250 0.658 632 HD22 LEU 77 HD22 LEU 77 -9.355 -0.354 1.374 633 HD23 LEU 77 HD23 LEU 77 -9.241 1.068 2.412 634 H SER 78 H SER 78 -12.733 -3.489 0.732 635 HA SER 78 HA SER 78 -15.047 -4.314 2.200 636 HB2 SER 78 HB2 SER 78 -12.820 -5.765 0.793 637 HB3 SER 78 HB3 SER 78 -13.979 -6.644 1.790 638 HG SER 78 HG SER 78 -15.549 -6.205 0.394 639 H ASP 79 H ASP 79 -14.617 -6.331 3.739 640 HA ASP 79 HA ASP 79 -13.676 -5.361 6.144 641 HB2 ASP 79 HB2 ASP 79 -14.201 -8.112 5.097 642 HB3 ASP 79 HB3 ASP 79 -13.408 -7.935 6.661 643 H TYR 80 H TYR 80 -12.017 -7.890 4.251 644 HA TYR 80 HA TYR 80 -9.627 -7.879 5.632 645 HB2 TYR 80 HB2 TYR 80 -8.621 -8.871 3.627 646 HB3 TYR 80 HB3 TYR 80 -10.205 -9.568 3.949 647 HD1 TYR 80 HD1 TYR 80 -12.164 -8.841 2.561 648 HD2 TYR 80 HD2 TYR 80 -8.167 -7.757 1.588 649 HE1 TYR 80 HE1 TYR 80 -12.876 -8.297 0.271 650 HE2 TYR 80 HE2 TYR 80 -8.867 -7.207 -0.704 651 HH TYR 80 HH TYR 80 -11.154 -8.170 -2.209 652 H GLN 81 H GLN 81 -10.667 -5.788 2.990 653 HA GLN 81 HA GLN 81 -8.223 -4.531 2.466 654 HB2 GLN 81 HB2 GLN 81 -11.059 -3.532 2.193 655 HB3 GLN 81 HB3 GLN 81 -9.660 -2.644 1.606 656 HG2 GLN 81 HG2 GLN 81 -9.220 -5.033 0.450 657 HG3 GLN 81 HG3 GLN 81 -10.981 -5.034 0.517 658 HE21 GLN 81 HE21 GLN 81 -9.495 -4.995 -1.856 659 HE22 GLN 81 HE22 GLN 81 -9.795 -3.497 -2.661 660 H SER 82 H SER 82 -10.944 -3.055 4.235 661 HA SER 82 HA SER 82 -9.577 -0.935 5.333 662 HB2 SER 82 HB2 SER 82 -12.093 -1.475 5.423 663 HB3 SER 82 HB3 SER 82 -11.713 -2.395 6.879 664 HG SER 82 HG SER 82 -12.322 -0.035 7.037 665 H LYS 83 H LYS 83 -9.715 -4.260 6.438 666 HA LYS 83 HA LYS 83 -8.536 -3.853 8.977 667 HB2 LYS 83 HB2 LYS 83 -8.989 -6.202 7.193 668 HB3 LYS 83 HB3 LYS 83 -7.859 -6.379 8.529 669 HG2 LYS 83 HG2 LYS 83 -9.525 -5.983 10.134 670 HG3 LYS 83 HG3 LYS 83 -10.645 -5.338 8.932 671 HD2 LYS 83 HD2 LYS 83 -10.383 -7.738 7.884 672 HD3 LYS 83 HD3 LYS 83 -9.915 -8.166 9.531 673 HE2 LYS 83 HE2 LYS 83 -12.371 -6.535 9.148 674 HE3 LYS 83 HE3 LYS 83 -12.438 -8.245 8.725 675 HZ1 LYS 83 HZ1 LYS 83 -11.194 -7.759 11.266 676 HZ2 LYS 83 HZ2 LYS 83 -12.436 -8.832 10.860 677 HZ3 LYS 83 HZ3 LYS 83 -12.796 -7.217 11.208 678 H LYS 84 H LYS 84 -7.136 -4.984 5.900 679 HA LYS 84 HA LYS 84 -4.485 -5.151 6.784 680 HB2 LYS 84 HB2 LYS 84 -3.938 -5.587 4.600 681 HB3 LYS 84 HB3 LYS 84 -5.668 -5.900 4.539 682 HG2 LYS 84 HG2 LYS 84 -5.571 -4.553 2.745 683 HG3 LYS 84 HG3 LYS 84 -5.655 -3.276 3.959 684 HD2 LYS 84 HD2 LYS 84 -3.085 -3.425 3.989 685 HD3 LYS 84 HD3 LYS 84 -3.261 -4.307 2.471 686 HE2 LYS 84 HE2 LYS 84 -4.903 -2.040 2.255 687 HE3 LYS 84 HE3 LYS 84 -3.390 -1.480 2.964 688 HZ1 LYS 84 HZ1 LYS 84 -3.728 -1.710 0.368 689 HZ2 LYS 84 HZ2 LYS 84 -3.205 -3.287 0.681 690 HZ3 LYS 84 HZ3 LYS 84 -2.226 -1.974 1.102 691 H LEU 85 H LEU 85 -6.438 -2.427 6.099 692 HA LEU 85 HA LEU 85 -4.440 -0.574 5.348 693 HB2 LEU 85 HB2 LEU 85 -7.137 -0.515 5.463 694 HB3 LEU 85 HB3 LEU 85 -6.739 0.425 6.900 695 HG LEU 85 HG LEU 85 -7.119 1.912 5.047 696 HD11 LEU 85 HD11 LEU 85 -5.310 3.269 5.374 697 HD12 LEU 85 HD12 LEU 85 -4.151 1.946 5.242 698 HD13 LEU 85 HD13 LEU 85 -5.099 2.145 6.716 699 HD21 LEU 85 HD21 LEU 85 -6.473 0.115 3.337 700 HD22 LEU 85 HD22 LEU 85 -4.817 0.678 3.570 701 HD23 LEU 85 HD23 LEU 85 -6.052 1.789 2.974 702 H LYS 86 H LYS 86 -5.616 -1.714 8.445 703 HA LYS 86 HA LYS 86 -4.335 0.284 10.021 704 HB2 LYS 86 HB2 LYS 86 -5.060 -0.921 11.888 705 HB3 LYS 86 HB3 LYS 86 -6.280 -1.278 10.672 706 HG2 LYS 86 HG2 LYS 86 -4.571 -3.310 10.233 707 HG3 LYS 86 HG3 LYS 86 -4.312 -3.046 11.960 708 HD2 LYS 86 HD2 LYS 86 -7.068 -3.285 10.788 709 HD3 LYS 86 HD3 LYS 86 -6.136 -4.705 11.272 710 HE2 LYS 86 HE2 LYS 86 -6.775 -2.379 13.083 711 HE3 LYS 86 HE3 LYS 86 -7.704 -3.876 13.020 712 HZ1 LYS 86 HZ1 LYS 86 -6.196 -4.085 14.801 713 HZ2 LYS 86 HZ2 LYS 86 -4.891 -3.526 13.881 714 HZ3 LYS 86 HZ3 LYS 86 -5.567 -5.043 13.556 715 H GLU 87 H GLU 87 -3.110 -2.236 8.212 716 HA GLU 87 HA GLU 87 -1.077 -3.287 9.820 717 HB2 GLU 87 HB2 GLU 87 -1.228 -2.890 6.832 718 HB3 GLU 87 HB3 GLU 87 0.075 -3.763 7.624 719 HG2 GLU 87 HG2 GLU 87 -2.753 -4.559 8.129 720 HG3 GLU 87 HG3 GLU 87 -1.955 -5.049 6.636 721 H LEU 88 H LEU 88 -0.347 -1.147 7.090 722 HA LEU 88 HA LEU 88 2.073 -0.235 8.212 723 HB2 LEU 88 HB2 LEU 88 1.814 1.584 6.413 724 HB3 LEU 88 HB3 LEU 88 1.988 -0.095 5.906 725 HG LEU 88 HG LEU 88 0.247 1.428 4.735 726 HD11 LEU 88 HD11 LEU 88 0.397 -1.352 5.270 727 HD12 LEU 88 HD12 LEU 88 -0.306 -0.535 3.875 728 HD13 LEU 88 HD13 LEU 88 -1.303 -0.882 5.288 729 HD21 LEU 88 HD21 LEU 88 -1.895 1.578 5.741 730 HD22 LEU 88 HD22 LEU 88 -0.735 2.164 6.934 731 HD23 LEU 88 HD23 LEU 88 -1.413 0.542 7.084 732 H THR 89 H THR 89 -1.076 0.531 9.006 733 HA THR 89 HA THR 89 -0.901 3.301 9.528 734 HB THR 89 HB THR 89 -2.677 1.154 10.686 735 HG1 THR 89 HG1 THR 89 -3.142 3.294 8.857 736 HG21 THR 89 HG21 THR 89 -2.291 3.943 11.529 737 HG22 THR 89 HG22 THR 89 -3.019 2.587 12.392 738 HG23 THR 89 HG23 THR 89 -3.966 3.493 11.212 739 H SER 90 H SER 90 -0.493 0.477 11.657 740 HA SER 90 HA SER 90 0.278 2.080 13.904 741 HB2 SER 90 HB2 SER 90 0.952 -0.219 14.843 742 HB3 SER 90 HB3 SER 90 -0.753 0.033 14.469 743 HG SER 90 HG SER 90 1.156 -1.290 12.837 744 H ILE 91 H ILE 91 1.933 0.400 11.330 745 HA ILE 91 HA ILE 91 4.526 0.465 12.508 746 HB ILE 91 HB ILE 91 3.808 0.268 9.581 747 HG12 ILE 91 HG12 ILE 91 4.306 -1.930 11.601 748 HG13 ILE 91 HG13 ILE 91 2.730 -1.484 10.957 749 HG21 ILE 91 HG21 ILE 91 6.294 0.562 10.846 750 HG22 ILE 91 HG22 ILE 91 6.184 -1.132 10.369 751 HG23 ILE 91 HG23 ILE 91 5.984 0.140 9.162 752 HD11 ILE 91 HD11 ILE 91 3.753 -1.991 8.663 753 HD12 ILE 91 HD12 ILE 91 5.015 -2.823 9.574 754 HD13 ILE 91 HD13 ILE 91 3.335 -3.343 9.716 755 H SER 92 H SER 92 2.942 2.454 10.016 756 HA SER 92 HA SER 92 5.129 4.263 9.771 757 HB2 SER 92 HB2 SER 92 3.265 3.795 8.061 758 HB3 SER 92 HB3 SER 92 2.280 4.900 9.019 759 HG SER 92 HG SER 92 3.524 6.553 8.432 760 H ASN 93 H ASN 93 5.369 6.342 10.573 761 HA ASN 93 HA ASN 93 4.164 6.804 13.148 762 HB2 ASN 93 HB2 ASN 93 6.199 8.339 11.528 763 HB3 ASN 93 HB3 ASN 93 5.623 8.876 13.103 764 HD21 ASN 93 HD21 ASN 93 8.130 7.488 11.700 765 HD22 ASN 93 HD22 ASN 93 8.676 6.436 12.957 766 H ILE 94 H ILE 94 1.969 6.918 12.062 767 HA ILE 94 HA ILE 94 1.374 9.415 10.714 768 HB ILE 94 HB ILE 94 -0.606 7.346 11.658 769 HG12 ILE 94 HG12 ILE 94 1.092 6.260 10.257 770 HG13 ILE 94 HG13 ILE 94 -0.449 6.358 9.414 771 HG21 ILE 94 HG21 ILE 94 -1.846 9.181 11.044 772 HG22 ILE 94 HG22 ILE 94 -0.687 9.689 9.816 773 HG23 ILE 94 HG23 ILE 94 -1.747 8.312 9.512 774 HD11 ILE 94 HD11 ILE 94 1.246 6.890 7.855 775 HD12 ILE 94 HD12 ILE 94 0.430 8.400 8.260 776 HD13 ILE 94 HD13 ILE 94 2.003 8.032 8.966 777 H ARG 95 H ARG 95 1.681 8.414 13.889 778 HA ARG 95 HA ARG 95 -0.438 9.662 15.208 779 HB2 ARG 95 HB2 ARG 95 2.421 9.269 16.108 780 HB3 ARG 95 HB3 ARG 95 1.103 9.759 17.164 781 HG2 ARG 95 HG2 ARG 95 1.006 7.215 15.578 782 HG3 ARG 95 HG3 ARG 95 1.756 7.306 17.172 783 HD2 ARG 95 HD2 ARG 95 -1.017 8.342 16.765 784 HD3 ARG 95 HD3 ARG 95 -0.745 6.610 16.943 785 HE ARG 95 HE ARG 95 0.511 8.162 18.999 786 HH11 ARG 95 HH11 ARG 95 -2.467 6.674 17.979 787 HH12 ARG 95 HH12 ARG 95 -3.094 6.525 19.587 788 HH21 ARG 95 HH21 ARG 95 -0.305 7.970 21.121 789 HH22 ARG 95 HH22 ARG 95 -1.864 7.263 21.373 790 H TYR 96 H TYR 96 2.293 11.003 13.596 791 HA TYR 96 HA TYR 96 2.694 13.409 14.880 792 HB2 TYR 96 HB2 TYR 96 3.681 14.195 12.886 793 HB3 TYR 96 HB3 TYR 96 3.921 12.452 12.850 794 HD1 TYR 96 HD2 TYR 96 2.080 11.094 11.565 795 HD2 TYR 96 HD1 TYR 96 2.807 15.251 11.018 796 HE1 TYR 96 HE2 TYR 96 1.000 10.986 9.358 797 HE2 TYR 96 HE1 TYR 96 1.728 15.155 8.810 798 HH TYR 96 HH TYR 96 1.361 13.082 7.029 799 H GLY 97 H GLY 97 1.970 15.584 14.320 800 HA2 GLY 97 HA2 GLY 97 -0.377 16.049 12.801 801 HA3 GLY 97 HA3 GLY 97 -0.788 15.900 14.503 802 H TYR 98 H TYR 98 1.529 17.091 15.593 803 HA TYR 98 HA TYR 98 0.821 19.855 15.263 804 HB2 TYR 98 HB2 TYR 98 1.506 18.689 17.442 805 HB3 TYR 98 HB3 TYR 98 3.160 18.818 16.856 806 HD1 TYR 98 HD2 TYR 98 4.048 21.150 16.308 807 HD2 TYR 98 HD1 TYR 98 0.485 20.491 18.539 808 HE1 TYR 98 HE2 TYR 98 4.192 23.437 17.202 809 HE2 TYR 98 HE1 TYR 98 0.619 22.776 19.438 810 HH TYR 98 HH TYR 98 2.017 24.569 19.710 Start of MODEL 6 1 H1 MET 1 H MET 1 -2.749 -19.291 24.224 2 HA MET 1 HA MET 1 -2.700 -17.489 26.347 3 HB2 MET 1 HB2 MET 1 -0.615 -18.792 24.657 4 HB3 MET 1 HB3 MET 1 -0.124 -17.479 25.717 5 HG2 MET 1 HG2 MET 1 0.232 -19.491 26.898 6 HG3 MET 1 HG3 MET 1 -1.188 -18.725 27.606 7 HE1 MET 1 HE1 MET 1 -1.231 -22.054 28.340 8 HE2 MET 1 HE2 MET 1 -0.783 -22.858 26.836 9 HE3 MET 1 HE3 MET 1 0.222 -21.555 27.473 10 H GLY 2 H GLY 2 -3.433 -15.449 26.011 11 HA2 GLY 2 HA2 GLY 2 -3.277 -13.230 25.424 12 HA3 GLY 2 HA3 GLY 2 -1.708 -13.588 24.718 13 H LYS 3 H LYS 3 -5.147 -14.268 24.059 14 HA LYS 3 HA LYS 3 -4.813 -14.572 21.277 15 HB2 LYS 3 HB2 LYS 3 -7.201 -13.991 23.013 16 HB3 LYS 3 HB3 LYS 3 -7.342 -14.088 21.263 17 HG2 LYS 3 HG2 LYS 3 -6.136 -16.308 22.878 18 HG3 LYS 3 HG3 LYS 3 -7.876 -16.181 22.607 19 HD2 LYS 3 HD2 LYS 3 -7.536 -16.270 20.207 20 HD3 LYS 3 HD3 LYS 3 -5.786 -16.292 20.432 21 HE2 LYS 3 HE2 LYS 3 -6.364 -18.399 21.919 22 HE3 LYS 3 HE3 LYS 3 -7.796 -18.438 20.891 23 HZ1 LYS 3 HZ1 LYS 3 -5.192 -19.304 20.295 24 HZ2 LYS 3 HZ2 LYS 3 -5.584 -18.039 19.243 25 HZ3 LYS 3 HZ3 LYS 3 -6.581 -19.403 19.333 26 H LEU 4 H LEU 4 -3.941 -12.994 20.079 27 HA LEU 4 HA LEU 4 -5.031 -10.272 20.382 28 HB2 LEU 4 HB2 LEU 4 -2.321 -11.100 19.351 29 HB3 LEU 4 HB3 LEU 4 -2.916 -9.445 19.478 30 HG LEU 4 HG LEU 4 -2.648 -11.203 21.898 31 HD11 LEU 4 HD11 LEU 4 -0.525 -9.575 20.529 32 HD12 LEU 4 HD12 LEU 4 -0.464 -11.269 21.015 33 HD13 LEU 4 HD13 LEU 4 -0.451 -10.000 22.239 34 HD21 LEU 4 HD21 LEU 4 -2.833 -8.244 21.392 35 HD22 LEU 4 HD22 LEU 4 -2.317 -8.919 22.938 36 HD23 LEU 4 HD23 LEU 4 -3.932 -9.267 22.319 37 H LYS 5 H LYS 5 -4.329 -9.044 18.152 38 HA LYS 5 HA LYS 5 -5.429 -10.693 15.970 39 HB2 LYS 5 HB2 LYS 5 -6.333 -8.464 15.093 40 HB3 LYS 5 HB3 LYS 5 -7.148 -9.172 16.482 41 HG2 LYS 5 HG2 LYS 5 -5.831 -7.671 17.953 42 HG3 LYS 5 HG3 LYS 5 -5.166 -6.906 16.509 43 HD2 LYS 5 HD2 LYS 5 -6.932 -5.506 17.045 44 HD3 LYS 5 HD3 LYS 5 -7.654 -6.580 15.845 45 HE2 LYS 5 HE2 LYS 5 -8.773 -7.836 17.506 46 HE3 LYS 5 HE3 LYS 5 -7.824 -7.107 18.801 47 HZ1 LYS 5 HZ1 LYS 5 -9.380 -5.569 19.007 48 HZ2 LYS 5 HZ2 LYS 5 -10.270 -6.243 17.738 49 HZ3 LYS 5 HZ3 LYS 5 -9.112 -5.052 17.419 50 H TRP 6 H TRP 6 -2.705 -9.285 17.033 51 HA TRP 6 HA TRP 6 -1.832 -8.089 14.541 52 HB2 TRP 6 HB2 TRP 6 -0.293 -8.617 17.093 53 HB3 TRP 6 HB3 TRP 6 0.266 -7.647 15.732 54 HD1 TRP 6 HD1 TRP 6 -2.206 -7.554 18.656 55 HE1 TRP 6 HE1 TRP 6 -2.940 -5.115 19.031 56 HE3 TRP 6 HE3 TRP 6 -0.016 -5.409 14.565 57 HZ2 TRP 6 HZ2 TRP 6 -2.633 -2.614 17.761 58 HZ3 TRP 6 HZ3 TRP 6 -0.285 -2.988 14.217 59 HH2 TRP 6 HH2 TRP 6 -1.566 -1.622 15.782 60 H PHE 7 H PHE 7 -1.811 -9.766 13.056 61 HA PHE 7 HA PHE 7 -0.247 -12.151 13.637 62 HB2 PHE 7 HB2 PHE 7 -2.109 -11.326 11.441 63 HB3 PHE 7 HB3 PHE 7 -0.970 -12.639 11.161 64 HD1 PHE 7 HD1 PHE 7 -3.863 -11.541 13.140 65 HD2 PHE 7 HD2 PHE 7 -1.262 -14.772 12.184 66 HE1 PHE 7 HE1 PHE 7 -5.408 -13.107 14.243 67 HE2 PHE 7 HE2 PHE 7 -2.803 -16.343 13.286 68 HZ PHE 7 HZ PHE 7 -4.880 -15.511 14.317 69 H SER 8 H SER 8 1.514 -10.242 13.789 70 HA SER 8 HA SER 8 2.660 -9.365 11.345 71 HB2 SER 8 HB2 SER 8 3.756 -9.535 14.157 72 HB3 SER 8 HB3 SER 8 4.665 -8.848 12.811 73 HG SER 8 HG SER 8 3.605 -7.177 13.805 74 H GLY 9 H GLY 9 4.839 -9.948 10.580 75 HA2 GLY 9 HA2 GLY 9 5.275 -12.857 10.848 76 HA3 GLY 9 HA3 GLY 9 5.597 -11.940 9.383 77 H GLY 10 H GLY 10 7.680 -11.618 9.009 78 HA2 GLY 10 HA2 GLY 10 9.660 -12.087 11.014 79 HA3 GLY 10 HA3 GLY 10 9.953 -11.527 9.375 80 H LYS 11 H LYS 11 11.559 -10.434 11.111 81 HA LYS 11 HA LYS 11 10.543 -8.119 12.430 82 HB2 LYS 11 HB2 LYS 11 12.729 -7.716 13.110 83 HB3 LYS 11 HB3 LYS 11 12.712 -9.462 12.903 84 HG2 LYS 11 HG2 LYS 11 13.751 -7.477 10.890 85 HG3 LYS 11 HG3 LYS 11 14.738 -8.443 11.991 86 HD2 LYS 11 HD2 LYS 11 13.498 -10.458 10.919 87 HD3 LYS 11 HD3 LYS 11 13.127 -9.319 9.624 88 HE2 LYS 11 HE2 LYS 11 15.388 -9.017 9.091 89 HE3 LYS 11 HE3 LYS 11 15.931 -9.699 10.623 90 HZ1 LYS 11 HZ1 LYS 11 15.060 -11.059 8.189 91 HZ2 LYS 11 HZ2 LYS 11 14.686 -11.796 9.664 92 HZ3 LYS 11 HZ3 LYS 11 16.298 -11.464 9.269 93 H GLU 12 H GLU 12 11.095 -8.803 9.204 94 HA GLU 12 HA GLU 12 12.056 -6.257 8.332 95 HB2 GLU 12 HB2 GLU 12 10.809 -8.602 6.913 96 HB3 GLU 12 HB3 GLU 12 11.217 -7.117 6.065 97 HG2 GLU 12 HG2 GLU 12 13.189 -8.754 7.639 98 HG3 GLU 12 HG3 GLU 12 12.931 -8.910 5.903 99 H ARG 13 H ARG 13 10.680 -4.728 9.287 100 HA ARG 13 HA ARG 13 7.847 -4.785 8.857 101 HB2 ARG 13 HB2 ARG 13 9.589 -2.491 9.777 102 HB3 ARG 13 HB3 ARG 13 7.840 -2.596 9.928 103 HG2 ARG 13 HG2 ARG 13 9.654 -4.617 11.198 104 HG3 ARG 13 HG3 ARG 13 9.239 -3.097 11.994 105 HD2 ARG 13 HD2 ARG 13 6.919 -3.646 11.997 106 HD3 ARG 13 HD3 ARG 13 7.189 -5.040 10.952 107 HE ARG 13 HE ARG 13 7.814 -6.259 12.789 108 HH11 ARG 13 HH11 ARG 13 7.768 -2.876 13.611 109 HH12 ARG 13 HH12 ARG 13 7.994 -3.151 15.307 110 HH21 ARG 13 HH21 ARG 13 8.111 -6.634 15.020 111 HH22 ARG 13 HH22 ARG 13 8.189 -5.288 16.107 112 H SER 14 H SER 14 10.603 -3.305 7.291 113 HA SER 14 HA SER 14 9.158 -1.459 5.695 114 HB2 SER 14 HB2 SER 14 11.371 -1.811 4.230 115 HB3 SER 14 HB3 SER 14 11.372 -0.869 5.721 116 HG SER 14 HG SER 14 12.791 -3.022 5.172 117 H ASN 15 H ASN 15 10.559 -4.647 4.942 118 HA ASN 15 HA ASN 15 9.461 -4.762 2.326 119 HB2 ASN 15 HB2 ASN 15 11.351 -6.120 2.680 120 HB3 ASN 15 HB3 ASN 15 10.690 -6.806 4.162 121 HD21 ASN 15 HD21 ASN 15 9.779 -8.728 4.034 122 HD22 ASN 15 HD22 ASN 15 9.259 -9.507 2.582 123 H GLN 16 H GLN 16 8.209 -5.437 5.461 124 HA GLN 16 HA GLN 16 6.238 -7.328 4.869 125 HB2 GLN 16 HB2 GLN 16 6.727 -6.848 7.155 126 HB3 GLN 16 HB3 GLN 16 6.353 -5.142 6.944 127 HG2 GLN 16 HG2 GLN 16 4.145 -5.458 7.193 128 HG3 GLN 16 HG3 GLN 16 4.157 -6.991 6.324 129 HE21 GLN 16 HE21 GLN 16 3.423 -8.544 7.571 130 HE22 GLN 16 HE22 GLN 16 3.785 -8.768 9.246 131 H ALA 17 H ALA 17 5.977 -3.776 4.984 132 HA ALA 17 HA ALA 17 3.328 -3.494 4.276 133 HB1 ALA 17 HB1 ALA 17 5.659 -1.739 3.518 134 HB2 ALA 17 HB2 ALA 17 3.962 -1.279 3.376 135 HB3 ALA 17 HB3 ALA 17 4.656 -1.605 4.964 136 H GLU 18 H GLU 18 6.136 -3.817 2.125 137 HA GLU 18 HA GLU 18 4.855 -3.479 -0.314 138 HB2 GLU 18 HB2 GLU 18 7.309 -3.636 -0.017 139 HB3 GLU 18 HB3 GLU 18 7.142 -5.360 0.289 140 HG2 GLU 18 HG2 GLU 18 6.031 -5.465 -2.016 141 HG3 GLU 18 HG3 GLU 18 6.718 -3.860 -2.266 142 H ASN 19 H ASN 19 5.378 -6.481 1.519 143 HA ASN 19 HA ASN 19 4.095 -8.189 -0.315 144 HB2 ASN 19 HB2 ASN 19 5.493 -9.228 1.278 145 HB3 ASN 19 HB3 ASN 19 4.705 -8.413 2.626 146 HD21 ASN 19 HD21 ASN 19 4.029 -10.109 3.790 147 HD22 ASN 19 HD22 ASN 19 2.930 -11.316 3.222 148 H ILE 20 H ILE 20 2.901 -6.339 2.438 149 HA ILE 20 HA ILE 20 0.335 -7.438 2.612 150 HB ILE 20 HB ILE 20 1.240 -4.621 3.218 151 HG12 ILE 20 HG12 ILE 20 0.654 -6.781 5.222 152 HG13 ILE 20 HG13 ILE 20 2.229 -6.695 4.441 153 HG21 ILE 20 HG21 ILE 20 -1.150 -4.636 2.913 154 HG22 ILE 20 HG22 ILE 20 -1.310 -6.049 3.955 155 HG23 ILE 20 HG23 ILE 20 -0.788 -4.508 4.634 156 HD11 ILE 20 HD11 ILE 20 2.858 -4.894 5.625 157 HD12 ILE 20 HD12 ILE 20 1.245 -4.180 5.601 158 HD13 ILE 20 HD13 ILE 20 1.623 -5.465 6.748 159 H ILE 21 H ILE 21 1.341 -4.444 0.950 160 HA ILE 21 HA ILE 21 -1.058 -3.772 -0.220 161 HB ILE 21 HB ILE 21 1.694 -3.459 -1.426 162 HG12 ILE 21 HG12 ILE 21 0.048 -1.505 0.194 163 HG13 ILE 21 HG13 ILE 21 1.378 -2.460 0.840 164 HG21 ILE 21 HG21 ILE 21 0.688 -2.621 -3.217 165 HG22 ILE 21 HG22 ILE 21 -0.895 -2.870 -2.482 166 HG23 ILE 21 HG23 ILE 21 -0.020 -1.365 -2.201 167 HD11 ILE 21 HD11 ILE 21 2.925 -1.352 -0.666 168 HD12 ILE 21 HD12 ILE 21 1.597 -0.420 -1.361 169 HD13 ILE 21 HD13 ILE 21 2.057 -0.179 0.325 170 H THR 22 H THR 22 1.384 -6.045 -1.393 171 HA THR 22 HA THR 22 0.339 -6.584 -3.910 172 HB THR 22 HB THR 22 1.567 -8.728 -2.188 173 HG1 THR 22 HG1 THR 22 2.993 -7.075 -1.929 174 HG21 THR 22 HG21 THR 22 2.102 -8.178 -5.087 175 HG22 THR 22 HG22 THR 22 0.676 -9.090 -4.589 176 HG23 THR 22 HG23 THR 22 2.288 -9.684 -4.188 177 H ASP 23 H ASP 23 -0.707 -7.666 -0.762 178 HA ASP 23 HA ASP 23 -2.282 -9.857 -1.524 179 HB2 ASP 23 HB2 ASP 23 -1.623 -9.155 0.832 180 HB3 ASP 23 HB3 ASP 23 -2.932 -7.980 0.748 181 H LEU 24 H LEU 24 -3.457 -6.600 -0.659 182 HA LEU 24 HA LEU 24 -6.056 -6.859 -1.496 183 HB2 LEU 24 HB2 LEU 24 -4.302 -4.417 -1.708 184 HB3 LEU 24 HB3 LEU 24 -6.061 -4.414 -1.811 185 HG LEU 24 HG LEU 24 -4.369 -5.053 0.601 186 HD11 LEU 24 HD11 LEU 24 -4.546 -2.711 0.283 187 HD12 LEU 24 HD12 LEU 24 -5.703 -3.142 1.542 188 HD13 LEU 24 HD13 LEU 24 -6.264 -2.823 -0.098 189 HD21 LEU 24 HD21 LEU 24 -7.321 -5.385 0.126 190 HD22 LEU 24 HD22 LEU 24 -6.628 -5.219 1.739 191 HD23 LEU 24 HD23 LEU 24 -6.164 -6.579 0.717 192 H LEU 25 H LEU 25 -3.276 -5.814 -3.446 193 HA LEU 25 HA LEU 25 -4.606 -5.285 -5.826 194 HB2 LEU 25 HB2 LEU 25 -1.846 -6.426 -5.414 195 HB3 LEU 25 HB3 LEU 25 -2.445 -5.763 -6.933 196 HG LEU 25 HG LEU 25 -1.861 -4.287 -4.374 197 HD11 LEU 25 HD11 LEU 25 -0.719 -4.252 -7.153 198 HD12 LEU 25 HD12 LEU 25 0.105 -4.595 -5.633 199 HD13 LEU 25 HD13 LEU 25 -0.440 -2.956 -5.991 200 HD21 LEU 25 HD21 LEU 25 -3.572 -2.951 -4.918 201 HD22 LEU 25 HD22 LEU 25 -3.723 -3.642 -6.533 202 HD23 LEU 25 HD23 LEU 25 -2.527 -2.384 -6.221 203 H ASP 26 H ASP 26 -3.513 -8.343 -4.479 204 HA ASP 26 HA ASP 26 -3.888 -9.945 -6.757 205 HB2 ASP 26 HB2 ASP 26 -2.704 -10.559 -4.581 206 HB3 ASP 26 HB3 ASP 26 -4.304 -10.879 -3.920 207 H ASP 27 H ASP 27 -6.017 -9.714 -3.901 208 HA ASP 27 HA ASP 27 -8.187 -11.050 -5.063 209 HB2 ASP 27 HB2 ASP 27 -8.054 -9.058 -2.797 210 HB3 ASP 27 HB3 ASP 27 -9.531 -9.904 -3.247 211 H LEU 28 H LEU 28 -7.141 -7.740 -5.270 212 HA LEU 28 HA LEU 28 -9.585 -6.638 -6.211 213 HB2 LEU 28 HB2 LEU 28 -6.761 -5.772 -6.035 214 HB3 LEU 28 HB3 LEU 28 -7.769 -4.949 -7.224 215 HG LEU 28 HG LEU 28 -8.471 -5.147 -4.300 216 HD11 LEU 28 HD11 LEU 28 -7.202 -3.376 -3.812 217 HD12 LEU 28 HD12 LEU 28 -7.612 -2.552 -5.316 218 HD13 LEU 28 HD13 LEU 28 -6.328 -3.761 -5.296 219 HD21 LEU 28 HD21 LEU 28 -9.454 -2.986 -6.059 220 HD22 LEU 28 HD22 LEU 28 -10.268 -3.851 -4.755 221 HD23 LEU 28 HD23 LEU 28 -10.110 -4.598 -6.346 222 H LYS 29 H LYS 29 -7.129 -8.531 -7.676 223 HA LYS 29 HA LYS 29 -7.120 -7.768 -10.311 224 HB2 LYS 29 HB2 LYS 29 -5.792 -9.634 -9.288 225 HB3 LYS 29 HB3 LYS 29 -7.235 -10.636 -9.365 226 HG2 LYS 29 HG2 LYS 29 -7.268 -10.414 -11.795 227 HG3 LYS 29 HG3 LYS 29 -5.825 -9.399 -11.721 228 HD2 LYS 29 HD2 LYS 29 -5.293 -11.777 -10.265 229 HD3 LYS 29 HD3 LYS 29 -6.003 -12.238 -11.814 230 HE2 LYS 29 HE2 LYS 29 -3.736 -10.275 -11.569 231 HE3 LYS 29 HE3 LYS 29 -3.483 -12.009 -11.759 232 HZ1 LYS 29 HZ1 LYS 29 -5.290 -11.254 -13.717 233 HZ2 LYS 29 HZ2 LYS 29 -3.675 -11.712 -13.930 234 HZ3 LYS 29 HZ3 LYS 29 -4.073 -10.079 -13.735 235 H THR 30 H THR 30 -9.161 -10.456 -9.165 236 HA THR 30 HA THR 30 -11.033 -9.908 -11.339 237 HB THR 30 HB THR 30 -12.124 -12.071 -10.371 238 HG1 THR 30 HG1 THR 30 -11.078 -12.585 -8.572 239 HG21 THR 30 HG21 THR 30 -9.395 -12.334 -11.625 240 HG22 THR 30 HG22 THR 30 -10.820 -11.807 -12.518 241 HG23 THR 30 HG23 THR 30 -10.776 -13.416 -11.798 242 H ASP 31 H ASP 31 -10.839 -8.182 -8.949 243 HA ASP 31 HA ASP 31 -13.107 -8.682 -7.293 244 HB2 ASP 31 HB2 ASP 31 -11.452 -7.354 -6.291 245 HB3 ASP 31 HB3 ASP 31 -11.293 -6.321 -7.710 246 H LEU 32 H LEU 32 -12.664 -7.273 -10.390 247 HA LEU 32 HA LEU 32 -14.109 -6.379 -11.902 248 HB2 LEU 32 HB2 LEU 32 -15.491 -8.336 -10.970 249 HB3 LEU 32 HB3 LEU 32 -16.374 -7.103 -10.074 250 HG LEU 32 HG LEU 32 -16.878 -6.021 -12.302 251 HD11 LEU 32 HD11 LEU 32 -16.824 -7.841 -14.168 252 HD12 LEU 32 HD12 LEU 32 -15.502 -8.508 -13.210 253 HD13 LEU 32 HD13 LEU 32 -15.392 -6.864 -13.841 254 HD21 LEU 32 HD21 LEU 32 -18.071 -8.714 -12.424 255 HD22 LEU 32 HD22 LEU 32 -18.842 -7.129 -12.372 256 HD23 LEU 32 HD23 LEU 32 -18.233 -7.865 -10.887 257 H ASP 33 H ASP 33 -13.133 -4.865 -9.511 258 HA ASP 33 HA ASP 33 -14.779 -2.518 -9.938 259 HB2 ASP 33 HB2 ASP 33 -15.440 -4.057 -7.790 260 HB3 ASP 33 HB3 ASP 33 -14.255 -2.969 -7.071 261 H ASN 34 H ASN 34 -13.770 -0.556 -9.203 262 HA ASN 34 HA ASN 34 -11.998 0.850 -8.973 263 HB2 ASN 34 HB2 ASN 34 -11.371 -1.413 -7.172 264 HB3 ASN 34 HB3 ASN 34 -10.013 -0.377 -7.602 265 HD21 ASN 34 HD21 ASN 34 -11.131 -0.678 -5.017 266 HD22 ASN 34 HD22 ASN 34 -11.756 0.860 -4.535 267 H GLU 35 H GLU 35 -11.279 1.102 -11.034 268 HA GLU 35 HA GLU 35 -9.419 -0.875 -12.131 269 HB2 GLU 35 HB2 GLU 35 -11.230 1.166 -13.276 270 HB3 GLU 35 HB3 GLU 35 -9.705 0.933 -14.120 271 HG2 GLU 35 HG2 GLU 35 -10.843 -0.651 -15.216 272 HG3 GLU 35 HG3 GLU 35 -10.465 -1.629 -13.800 273 H SER 36 H SER 36 -9.640 2.687 -12.020 274 HA SER 36 HA SER 36 -6.788 2.944 -12.350 275 HB2 SER 36 HB2 SER 36 -7.622 5.455 -11.712 276 HB3 SER 36 HB3 SER 36 -7.672 4.784 -13.342 277 HG SER 36 HG SER 36 -9.758 5.083 -11.475 278 H LEU 37 H LEU 37 -8.799 2.353 -9.751 279 HA LEU 37 HA LEU 37 -7.591 3.923 -7.729 280 HB2 LEU 37 HB2 LEU 37 -9.818 2.595 -7.729 281 HB3 LEU 37 HB3 LEU 37 -8.815 1.240 -7.213 282 HG LEU 37 HG LEU 37 -9.913 2.329 -5.322 283 HD11 LEU 37 HD11 LEU 37 -7.103 3.138 -4.916 284 HD12 LEU 37 HD12 LEU 37 -7.375 1.472 -5.426 285 HD13 LEU 37 HD13 LEU 37 -8.134 2.078 -3.954 286 HD21 LEU 37 HD21 LEU 37 -9.507 4.662 -6.663 287 HD22 LEU 37 HD22 LEU 37 -8.250 4.743 -5.427 288 HD23 LEU 37 HD23 LEU 37 -9.939 4.542 -4.957 289 H LYS 38 H LYS 38 -7.247 0.438 -8.427 290 HA LYS 38 HA LYS 38 -5.223 -0.164 -6.670 291 HB2 LYS 38 HB2 LYS 38 -5.772 -1.238 -9.436 292 HB3 LYS 38 HB3 LYS 38 -4.545 -1.922 -8.379 293 HG2 LYS 38 HG2 LYS 38 -6.054 -3.063 -7.215 294 HG3 LYS 38 HG3 LYS 38 -7.097 -1.650 -7.036 295 HD2 LYS 38 HD2 LYS 38 -8.397 -3.173 -8.245 296 HD3 LYS 38 HD3 LYS 38 -7.767 -2.075 -9.475 297 HE2 LYS 38 HE2 LYS 38 -6.241 -4.552 -8.814 298 HE3 LYS 38 HE3 LYS 38 -7.686 -4.678 -9.817 299 HZ1 LYS 38 HZ1 LYS 38 -5.938 -4.395 -11.312 300 HZ2 LYS 38 HZ2 LYS 38 -5.187 -3.201 -10.378 301 HZ3 LYS 38 HZ3 LYS 38 -6.623 -2.853 -11.202 302 H LYS 39 H LYS 39 -5.045 1.657 -9.615 303 HA LYS 39 HA LYS 39 -2.368 1.444 -10.286 304 HB2 LYS 39 HB2 LYS 39 -2.831 3.087 -11.749 305 HB3 LYS 39 HB3 LYS 39 -4.483 2.949 -11.161 306 HG2 LYS 39 HG2 LYS 39 -3.967 4.713 -9.487 307 HG3 LYS 39 HG3 LYS 39 -2.390 4.912 -10.254 308 HD2 LYS 39 HD2 LYS 39 -5.081 5.312 -11.561 309 HD3 LYS 39 HD3 LYS 39 -3.951 6.581 -11.081 310 HE2 LYS 39 HE2 LYS 39 -3.308 6.430 -13.241 311 HE3 LYS 39 HE3 LYS 39 -2.338 5.092 -12.629 312 HZ1 LYS 39 HZ1 LYS 39 -4.756 3.962 -13.170 313 HZ2 LYS 39 HZ2 LYS 39 -3.378 3.866 -14.145 314 HZ3 LYS 39 HZ3 LYS 39 -4.546 5.051 -14.447 315 H VAL 40 H VAL 40 -3.889 3.317 -7.736 316 HA VAL 40 HA VAL 40 -1.592 4.853 -7.058 317 HB VAL 40 HB VAL 40 -4.038 5.326 -6.435 318 HG11 VAL 40 HG11 VAL 40 -4.176 2.974 -5.347 319 HG12 VAL 40 HG12 VAL 40 -3.434 3.767 -3.955 320 HG13 VAL 40 HG13 VAL 40 -4.987 4.335 -4.570 321 HG21 VAL 40 HG21 VAL 40 -1.959 5.566 -4.264 322 HG22 VAL 40 HG22 VAL 40 -2.080 6.630 -5.665 323 HG23 VAL 40 HG23 VAL 40 -3.385 6.583 -4.481 324 H LEU 41 H LEU 41 -2.840 1.731 -6.051 325 HA LEU 41 HA LEU 41 -1.209 1.363 -3.786 326 HB2 LEU 41 HB2 LEU 41 -2.659 -0.485 -5.637 327 HB3 LEU 41 HB3 LEU 41 -1.592 -1.131 -4.393 328 HG LEU 41 HG LEU 41 -3.809 -1.216 -3.547 329 HD11 LEU 41 HD11 LEU 41 -1.989 -0.402 -2.028 330 HD12 LEU 41 HD12 LEU 41 -3.623 0.056 -1.549 331 HD13 LEU 41 HD13 LEU 41 -2.569 1.238 -2.323 332 HD21 LEU 41 HD21 LEU 41 -5.426 0.294 -3.925 333 HD22 LEU 41 HD22 LEU 41 -4.352 0.872 -5.200 334 HD23 LEU 41 HD23 LEU 41 -4.357 1.665 -3.623 335 H GLU 42 H GLU 42 -0.837 -0.066 -7.038 336 HA GLU 42 HA GLU 42 1.661 -1.185 -6.692 337 HB2 GLU 42 HB2 GLU 42 0.488 0.056 -9.187 338 HB3 GLU 42 HB3 GLU 42 1.914 -0.972 -9.164 339 HG2 GLU 42 HG2 GLU 42 0.446 -2.741 -8.100 340 HG3 GLU 42 HG3 GLU 42 -0.922 -1.718 -8.535 341 H ASN 43 H ASN 43 0.848 2.117 -7.684 342 HA ASN 43 HA ASN 43 3.351 3.077 -8.324 343 HB2 ASN 43 HB2 ASN 43 0.899 4.340 -7.165 344 HB3 ASN 43 HB3 ASN 43 2.379 5.290 -7.265 345 HD21 ASN 43 HD21 ASN 43 0.918 6.569 -8.679 346 HD22 ASN 43 HD22 ASN 43 0.869 6.161 -10.356 347 H TYR 44 H TYR 44 1.857 3.874 -5.199 348 HA TYR 44 HA TYR 44 4.205 4.581 -3.906 349 HB2 TYR 44 HB2 TYR 44 1.594 3.524 -2.823 350 HB3 TYR 44 HB3 TYR 44 2.901 4.070 -1.779 351 HD1 TYR 44 HD1 TYR 44 3.795 6.488 -2.273 352 HD2 TYR 44 HD2 TYR 44 -0.015 5.045 -3.502 353 HE1 TYR 44 HE1 TYR 44 2.987 8.803 -2.468 354 HE2 TYR 44 HE2 TYR 44 -0.832 7.356 -3.702 355 HH TYR 44 HH TYR 44 0.776 9.850 -4.083 356 H LEU 45 H LEU 45 2.733 1.425 -4.325 357 HA LEU 45 HA LEU 45 4.157 -0.043 -2.441 358 HB2 LEU 45 HB2 LEU 45 2.370 -1.113 -3.517 359 HB3 LEU 45 HB3 LEU 45 3.007 -0.750 -5.119 360 HG LEU 45 HG LEU 45 4.798 -2.386 -4.774 361 HD11 LEU 45 HD11 LEU 45 4.574 -3.946 -2.823 362 HD12 LEU 45 HD12 LEU 45 3.446 -2.790 -2.115 363 HD13 LEU 45 HD13 LEU 45 5.117 -2.317 -2.420 364 HD21 LEU 45 HD21 LEU 45 2.285 -2.894 -5.501 365 HD22 LEU 45 HD22 LEU 45 2.364 -3.919 -4.068 366 HD23 LEU 45 HD23 LEU 45 3.514 -4.155 -5.385 367 H GLU 46 H GLU 46 5.053 0.928 -5.714 368 HA GLU 46 HA GLU 46 7.451 -0.575 -5.841 369 HB2 GLU 46 HB2 GLU 46 6.241 0.384 -7.810 370 HB3 GLU 46 HB3 GLU 46 6.799 1.977 -7.319 371 HG2 GLU 46 HG2 GLU 46 8.891 -0.068 -7.609 372 HG3 GLU 46 HG3 GLU 46 8.072 0.410 -9.095 373 H GLU 47 H GLU 47 6.645 2.585 -4.577 374 HA GLU 47 HA GLU 47 9.170 3.729 -4.395 375 HB2 GLU 47 HB2 GLU 47 6.923 3.997 -2.391 376 HB3 GLU 47 HB3 GLU 47 8.258 5.119 -2.614 377 HG2 GLU 47 HG2 GLU 47 6.407 4.498 -4.875 378 HG3 GLU 47 HG3 GLU 47 5.958 5.671 -3.638 379 H LEU 48 H LEU 48 7.515 1.560 -2.134 380 HA LEU 48 HA LEU 48 9.303 1.580 -0.033 381 HB2 LEU 48 HB2 LEU 48 7.681 -0.696 -1.154 382 HB3 LEU 48 HB3 LEU 48 8.556 -0.780 0.373 383 HG LEU 48 HG LEU 48 6.816 1.522 0.310 384 HD11 LEU 48 HD11 LEU 48 4.769 0.673 -0.148 385 HD12 LEU 48 HD12 LEU 48 5.208 -0.958 0.356 386 HD13 LEU 48 HD13 LEU 48 5.711 -0.360 -1.225 387 HD21 LEU 48 HD21 LEU 48 6.765 -0.945 2.040 388 HD22 LEU 48 HD22 LEU 48 6.091 0.640 2.419 389 HD23 LEU 48 HD23 LEU 48 7.837 0.430 2.298 390 H LYS 49 H LYS 49 9.590 0.043 -3.153 391 HA LYS 49 HA LYS 49 11.912 -1.505 -2.393 392 HB2 LYS 49 HB2 LYS 49 10.546 -1.040 -5.046 393 HB3 LYS 49 HB3 LYS 49 11.978 -2.044 -4.857 394 HG2 LYS 49 HG2 LYS 49 10.386 -3.652 -4.730 395 HG3 LYS 49 HG3 LYS 49 10.469 -3.212 -3.022 396 HD2 LYS 49 HD2 LYS 49 8.258 -2.904 -3.162 397 HD3 LYS 49 HD3 LYS 49 8.645 -1.417 -4.030 398 HE2 LYS 49 HE2 LYS 49 7.008 -2.747 -5.253 399 HE3 LYS 49 HE3 LYS 49 8.519 -2.618 -6.152 400 HZ1 LYS 49 HZ1 LYS 49 8.550 -4.902 -4.477 401 HZ2 LYS 49 HZ2 LYS 49 8.723 -4.810 -6.157 402 HZ3 LYS 49 HZ3 LYS 49 7.182 -4.932 -5.471 403 H GLN 50 H GLN 50 11.199 1.512 -4.021 404 HA GLN 50 HA GLN 50 13.886 1.913 -4.957 405 HB2 GLN 50 HB2 GLN 50 11.593 3.869 -4.725 406 HB3 GLN 50 HB3 GLN 50 13.098 4.153 -5.592 407 HG2 GLN 50 HG2 GLN 50 10.920 2.196 -6.262 408 HG3 GLN 50 HG3 GLN 50 11.461 3.588 -7.199 409 HE21 GLN 50 HE21 GLN 50 11.411 0.438 -7.356 410 HE22 GLN 50 HE22 GLN 50 12.933 0.097 -8.101 411 H LYS 51 H LYS 51 15.127 3.887 -4.327 412 HA LYS 51 HA LYS 51 15.076 4.173 -1.402 413 HB2 LYS 51 HB2 LYS 51 17.420 4.752 -1.536 414 HB3 LYS 51 HB3 LYS 51 17.145 3.249 -2.408 415 HG2 LYS 51 HG2 LYS 51 16.890 4.939 -4.446 416 HG3 LYS 51 HG3 LYS 51 17.942 5.913 -3.416 417 HD2 LYS 51 HD2 LYS 51 19.597 4.184 -3.358 418 HD3 LYS 51 HD3 LYS 51 18.515 3.052 -4.174 419 HE2 LYS 51 HE2 LYS 51 18.506 4.906 -6.034 420 HE3 LYS 51 HE3 LYS 51 20.027 5.374 -5.276 421 HZ1 LYS 51 HZ1 LYS 51 20.971 3.798 -6.494 422 HZ2 LYS 51 HZ2 LYS 51 19.479 3.182 -7.003 423 HZ3 LYS 51 HZ3 LYS 51 20.166 2.646 -5.552 424 H SER 52 H SER 52 13.749 5.718 -3.812 425 HA SER 52 HA SER 52 14.715 8.406 -3.326 426 HB2 SER 52 HB2 SER 52 12.440 7.377 -5.037 427 HB3 SER 52 HB3 SER 52 12.959 9.061 -4.966 428 HG SER 52 HG SER 52 13.861 7.752 -6.719 429 H ALA 53 H ALA 53 12.913 6.435 -1.538 430 HA ALA 53 HA ALA 53 11.712 8.563 -0.054 431 HB1 ALA 53 HB1 ALA 53 10.040 8.367 -1.816 432 HB2 ALA 53 HB2 ALA 53 9.862 6.647 -1.468 433 HB3 ALA 53 HB3 ALA 53 9.386 7.845 -0.264 434 H SER 54 H SER 54 11.316 7.976 2.034 435 HA SER 54 HA SER 54 12.361 5.455 2.903 436 HB2 SER 54 HB2 SER 54 12.231 7.891 4.065 437 HB3 SER 54 HB3 SER 54 10.838 7.121 4.827 438 HG SER 54 HG SER 54 12.457 6.519 6.115 439 H VAL 55 H VAL 55 11.246 3.862 4.136 440 HA VAL 55 HA VAL 55 8.899 2.910 3.046 441 HB VAL 55 HB VAL 55 10.360 2.356 5.577 442 HG11 VAL 55 HG11 VAL 55 7.497 1.629 5.074 443 HG12 VAL 55 HG12 VAL 55 8.542 0.591 6.045 444 HG13 VAL 55 HG13 VAL 55 8.244 2.256 6.543 445 HG21 VAL 55 HG21 VAL 55 10.123 1.230 2.990 446 HG22 VAL 55 HG22 VAL 55 11.129 0.685 4.333 447 HG23 VAL 55 HG23 VAL 55 9.492 0.054 4.144 448 HA PRO 56 HA PRO 56 6.421 4.783 6.752 449 HB2 PRO 56 HB2 PRO 56 7.709 6.585 8.321 450 HB3 PRO 56 HB3 PRO 56 7.717 4.848 8.648 451 HG2 PRO 56 HG2 PRO 56 9.804 6.536 7.322 452 HG3 PRO 56 HG3 PRO 56 10.005 5.248 8.525 453 HD2 PRO 56 HD2 PRO 56 10.425 4.850 5.880 454 HD3 PRO 56 HD3 PRO 56 9.808 3.575 6.951 455 H LEU 57 H LEU 57 8.577 6.545 4.744 456 HA LEU 57 HA LEU 57 7.171 9.058 4.941 457 HB2 LEU 57 HB2 LEU 57 9.552 8.027 3.546 458 HB3 LEU 57 HB3 LEU 57 8.676 9.308 2.712 459 HG LEU 57 HG LEU 57 10.589 10.095 4.100 460 HD11 LEU 57 HD11 LEU 57 7.839 11.057 4.871 461 HD12 LEU 57 HD12 LEU 57 8.815 11.622 3.516 462 HD13 LEU 57 HD13 LEU 57 9.341 11.932 5.171 463 HD21 LEU 57 HD21 LEU 57 9.078 9.879 6.595 464 HD22 LEU 57 HD22 LEU 57 10.798 9.645 6.284 465 HD23 LEU 57 HD23 LEU 57 9.658 8.336 5.970 466 H ILE 58 H ILE 58 7.196 6.260 2.841 467 HA ILE 58 HA ILE 58 5.538 7.502 0.831 468 HB ILE 58 HB ILE 58 6.305 4.602 1.183 469 HG12 ILE 58 HG12 ILE 58 7.439 6.143 -1.046 470 HG13 ILE 58 HG13 ILE 58 7.953 6.702 0.542 471 HG21 ILE 58 HG21 ILE 58 4.891 4.129 -0.458 472 HG22 ILE 58 HG22 ILE 58 4.355 5.808 -0.477 473 HG23 ILE 58 HG23 ILE 58 5.694 5.297 -1.506 474 HD11 ILE 58 HD11 ILE 58 9.552 5.132 -0.196 475 HD12 ILE 58 HD12 ILE 58 8.593 4.329 1.048 476 HD13 ILE 58 HD13 ILE 58 8.305 3.972 -0.655 477 H LEU 59 H LEU 59 5.122 5.014 3.331 478 HA LEU 59 HA LEU 59 2.500 4.299 2.857 479 HB2 LEU 59 HB2 LEU 59 3.885 4.617 5.516 480 HB3 LEU 59 HB3 LEU 59 2.377 3.742 5.258 481 HG LEU 59 HG LEU 59 4.957 2.968 3.915 482 HD11 LEU 59 HD11 LEU 59 5.644 2.541 6.029 483 HD12 LEU 59 HD12 LEU 59 4.678 1.086 5.785 484 HD13 LEU 59 HD13 LEU 59 4.002 2.456 6.667 485 HD21 LEU 59 HD21 LEU 59 3.408 0.740 4.262 486 HD22 LEU 59 HD22 LEU 59 3.509 1.694 2.782 487 HD23 LEU 59 HD23 LEU 59 2.206 1.988 3.934 488 H SER 60 H SER 60 3.760 7.197 4.337 489 HA SER 60 HA SER 60 1.372 8.102 5.544 490 HB2 SER 60 HB2 SER 60 3.883 8.944 5.725 491 HB3 SER 60 HB3 SER 60 3.353 10.064 4.471 492 HG SER 60 HG SER 60 1.861 9.699 6.838 493 H ARG 61 H ARG 61 2.848 8.817 2.390 494 HA ARG 61 HA ARG 61 0.715 10.509 1.538 495 HB2 ARG 61 HB2 ARG 61 3.169 9.365 0.326 496 HB3 ARG 61 HB3 ARG 61 1.884 9.823 -0.784 497 HG2 ARG 61 HG2 ARG 61 3.182 11.730 -0.675 498 HG3 ARG 61 HG3 ARG 61 1.893 12.067 0.483 499 HD2 ARG 61 HD2 ARG 61 3.297 11.598 2.326 500 HD3 ARG 61 HD3 ARG 61 4.524 10.861 1.296 501 HE ARG 61 HE ARG 61 5.347 12.952 0.825 502 HH11 ARG 61 HH11 ARG 61 2.237 13.243 2.364 503 HH12 ARG 61 HH12 ARG 61 2.357 14.958 2.577 504 HH21 ARG 61 HH21 ARG 61 5.517 15.210 1.100 505 HH22 ARG 61 HH22 ARG 61 4.223 16.076 1.858 506 H MET 62 H MET 62 1.520 7.106 1.083 507 HA MET 62 HA MET 62 -0.268 6.402 -0.896 508 HB2 MET 62 HB2 MET 62 1.453 4.919 0.184 509 HB3 MET 62 HB3 MET 62 0.346 4.720 1.536 510 HG2 MET 62 HG2 MET 62 -1.309 3.730 0.044 511 HG3 MET 62 HG3 MET 62 -0.208 3.939 -1.316 512 HE1 MET 62 HE1 MET 62 -0.048 1.985 2.425 513 HE2 MET 62 HE2 MET 62 -1.500 2.048 1.427 514 HE3 MET 62 HE3 MET 62 -0.563 0.557 1.528 515 H ASN 63 H ASN 63 -0.873 6.095 2.611 516 HA ASN 63 HA ASN 63 -3.555 5.436 2.474 517 HB2 ASN 63 HB2 ASN 63 -2.376 7.188 4.632 518 HB3 ASN 63 HB3 ASN 63 -3.710 6.048 4.776 519 HD21 ASN 63 HD21 ASN 63 -1.290 6.177 6.331 520 HD22 ASN 63 HD22 ASN 63 -0.483 4.664 6.121 521 H LEU 64 H LEU 64 -2.059 8.644 2.551 522 HA LEU 64 HA LEU 64 -4.446 10.132 2.685 523 HB2 LEU 64 HB2 LEU 64 -1.753 10.856 1.544 524 HB3 LEU 64 HB3 LEU 64 -3.064 12.002 1.816 525 HG LEU 64 HG LEU 64 -1.947 10.385 4.080 526 HD11 LEU 64 HD11 LEU 64 -0.886 13.077 3.879 527 HD12 LEU 64 HD12 LEU 64 -0.364 12.049 2.545 528 HD13 LEU 64 HD13 LEU 64 -0.058 11.556 4.210 529 HD21 LEU 64 HD21 LEU 64 -3.142 13.148 4.019 530 HD22 LEU 64 HD22 LEU 64 -2.823 12.138 5.429 531 HD23 LEU 64 HD23 LEU 64 -4.085 11.681 4.284 532 H ASP 65 H ASP 65 -2.885 8.480 0.089 533 HA ASP 65 HA ASP 65 -4.317 9.921 -1.980 534 HB2 ASP 65 HB2 ASP 65 -1.932 8.730 -2.048 535 HB3 ASP 65 HB3 ASP 65 -2.913 7.359 -2.559 536 H ILE 66 H ILE 66 -4.268 6.607 -0.684 537 HA ILE 66 HA ILE 66 -6.430 5.670 -2.244 538 HB ILE 66 HB ILE 66 -5.546 4.613 0.441 539 HG12 ILE 66 HG12 ILE 66 -4.577 3.820 -2.313 540 HG13 ILE 66 HG13 ILE 66 -3.670 4.821 -1.184 541 HG21 ILE 66 HG21 ILE 66 -6.984 2.940 0.143 542 HG22 ILE 66 HG22 ILE 66 -7.693 3.898 -1.157 543 HG23 ILE 66 HG23 ILE 66 -6.458 2.693 -1.523 544 HD11 ILE 66 HD11 ILE 66 -2.772 2.692 -0.930 545 HD12 ILE 66 HD12 ILE 66 -3.882 2.852 0.432 546 HD13 ILE 66 HD13 ILE 66 -4.355 1.915 -0.986 547 H SER 67 H SER 67 -6.276 6.734 1.151 548 HA SER 67 HA SER 67 -8.908 6.392 1.869 549 HB2 SER 67 HB2 SER 67 -7.100 7.125 3.408 550 HB3 SER 67 HB3 SER 67 -7.156 8.727 2.672 551 HG SER 67 HG SER 67 -8.756 7.656 4.571 552 H LYS 68 H LYS 68 -7.462 9.264 0.350 553 HA LYS 68 HA LYS 68 -9.850 10.752 0.178 554 HB2 LYS 68 HB2 LYS 68 -8.545 12.340 -0.745 555 HB3 LYS 68 HB3 LYS 68 -7.218 11.268 -0.318 556 HG2 LYS 68 HG2 LYS 68 -7.443 10.243 -2.598 557 HG3 LYS 68 HG3 LYS 68 -8.572 11.544 -2.988 558 HD2 LYS 68 HD2 LYS 68 -5.928 12.274 -1.837 559 HD3 LYS 68 HD3 LYS 68 -5.985 11.739 -3.518 560 HE2 LYS 68 HE2 LYS 68 -7.787 13.891 -2.438 561 HE3 LYS 68 HE3 LYS 68 -6.191 14.238 -3.101 562 HZ1 LYS 68 HZ1 LYS 68 -7.181 12.781 -5.064 563 HZ2 LYS 68 HZ2 LYS 68 -7.398 14.457 -4.982 564 HZ3 LYS 68 HZ3 LYS 68 -8.630 13.418 -4.467 565 H ALA 69 H ALA 69 -8.438 8.301 -1.875 566 HA ALA 69 HA ALA 69 -10.023 8.769 -4.173 567 HB1 ALA 69 HB1 ALA 69 -8.911 7.034 -5.075 568 HB2 ALA 69 HB2 ALA 69 -7.889 7.196 -3.647 569 HB3 ALA 69 HB3 ALA 69 -9.180 5.997 -3.674 570 H ILE 70 H ILE 70 -10.671 7.262 -1.145 571 HA ILE 70 HA ILE 70 -12.748 5.516 -1.905 572 HB ILE 70 HB ILE 70 -12.541 6.954 0.739 573 HG12 ILE 70 HG12 ILE 70 -11.141 4.447 -0.211 574 HG13 ILE 70 HG13 ILE 70 -10.380 5.964 0.257 575 HG21 ILE 70 HG21 ILE 70 -14.627 5.722 0.314 576 HG22 ILE 70 HG22 ILE 70 -13.688 4.259 0.027 577 HG23 ILE 70 HG23 ILE 70 -13.684 5.009 1.622 578 HD11 ILE 70 HD11 ILE 70 -11.896 4.102 2.070 579 HD12 ILE 70 HD12 ILE 70 -10.146 4.316 2.005 580 HD13 ILE 70 HD13 ILE 70 -11.176 5.640 2.548 581 H ARG 71 H ARG 71 -13.142 8.587 -0.134 582 HA ARG 71 HA ARG 71 -15.867 8.866 -0.633 583 HB2 ARG 71 HB2 ARG 71 -13.942 11.163 -0.281 584 HB3 ARG 71 HB3 ARG 71 -15.649 11.121 0.136 585 HG2 ARG 71 HG2 ARG 71 -14.545 9.026 1.576 586 HG3 ARG 71 HG3 ARG 71 -13.347 10.318 1.684 587 HD2 ARG 71 HD2 ARG 71 -14.705 10.815 3.473 588 HD3 ARG 71 HD3 ARG 71 -15.427 11.807 2.206 589 HE ARG 71 HE ARG 71 -16.777 9.428 2.096 590 HH11 ARG 71 HH11 ARG 71 -16.169 11.832 4.540 591 HH12 ARG 71 HH12 ARG 71 -17.657 11.544 5.379 592 HH21 ARG 71 HH21 ARG 71 -18.739 9.039 3.192 593 HH22 ARG 71 HH22 ARG 71 -19.118 9.955 4.612 594 H ASN 72 H ASN 72 -13.103 10.267 -2.377 595 HA ASN 72 HA ASN 72 -14.470 11.787 -4.239 596 HB2 ASN 72 HB2 ASN 72 -11.834 10.369 -4.271 597 HB3 ASN 72 HB3 ASN 72 -12.427 11.109 -5.755 598 HD21 ASN 72 HD21 ASN 72 -12.171 11.916 -2.307 599 HD22 ASN 72 HD22 ASN 72 -11.583 13.521 -2.555 600 H ASP 73 H ASP 73 -12.992 8.686 -5.152 601 HA ASP 73 HA ASP 73 -14.475 8.263 -7.439 602 HB2 ASP 73 HB2 ASP 73 -13.367 6.172 -5.554 603 HB3 ASP 73 HB3 ASP 73 -13.866 5.880 -7.217 604 H GLY 74 H GLY 74 -15.085 6.747 -4.261 605 HA2 GLY 74 HA2 GLY 74 -17.418 6.913 -3.427 606 HA3 GLY 74 HA3 GLY 74 -17.920 6.512 -5.063 607 H VAL 75 H VAL 75 -15.139 4.887 -3.887 608 HA VAL 75 HA VAL 75 -16.590 2.372 -3.904 609 HB VAL 75 HB VAL 75 -14.373 1.322 -3.686 610 HG11 VAL 75 HG11 VAL 75 -14.068 1.477 -5.895 611 HG12 VAL 75 HG12 VAL 75 -15.415 2.617 -5.875 612 HG13 VAL 75 HG13 VAL 75 -13.755 3.210 -5.817 613 HG21 VAL 75 HG21 VAL 75 -12.351 2.708 -3.777 614 HG22 VAL 75 HG22 VAL 75 -13.345 4.160 -3.650 615 HG23 VAL 75 HG23 VAL 75 -13.286 3.011 -2.312 616 H THR 76 H THR 76 -15.583 0.739 -2.173 617 HA THR 76 HA THR 76 -15.492 2.008 0.464 618 HB THR 76 HB THR 76 -17.355 -0.293 -0.149 619 HG1 THR 76 HG1 THR 76 -18.991 1.199 -0.075 620 HG21 THR 76 HG21 THR 76 -16.428 1.028 2.316 621 HG22 THR 76 HG22 THR 76 -17.063 -0.598 2.071 622 HG23 THR 76 HG23 THR 76 -18.168 0.768 2.208 623 H LEU 77 H LEU 77 -14.023 1.101 1.767 624 HA LEU 77 HA LEU 77 -12.416 -1.063 0.808 625 HB2 LEU 77 HB2 LEU 77 -12.350 0.078 3.584 626 HB3 LEU 77 HB3 LEU 77 -11.041 -0.687 2.686 627 HG LEU 77 HG LEU 77 -12.249 1.991 2.000 628 HD11 LEU 77 HD11 LEU 77 -9.715 2.503 2.795 629 HD12 LEU 77 HD12 LEU 77 -10.153 1.201 3.900 630 HD13 LEU 77 HD13 LEU 77 -11.134 2.665 3.829 631 HD21 LEU 77 HD21 LEU 77 -10.288 2.217 0.562 632 HD22 LEU 77 HD22 LEU 77 -11.266 0.825 0.097 633 HD23 LEU 77 HD23 LEU 77 -9.771 0.590 1.004 634 H SER 78 H SER 78 -12.595 -3.170 1.217 635 HA SER 78 HA SER 78 -14.832 -4.168 2.688 636 HB2 SER 78 HB2 SER 78 -12.563 -5.411 1.172 637 HB3 SER 78 HB3 SER 78 -13.563 -6.416 2.221 638 HG SER 78 HG SER 78 -14.127 -5.890 -0.187 639 H ASP 79 H ASP 79 -14.394 -6.097 4.240 640 HA ASP 79 HA ASP 79 -13.389 -5.135 6.620 641 HB2 ASP 79 HB2 ASP 79 -14.875 -7.143 6.311 642 HB3 ASP 79 HB3 ASP 79 -13.440 -8.056 5.851 643 H TYR 80 H TYR 80 -11.794 -7.603 4.593 644 HA TYR 80 HA TYR 80 -9.379 -7.666 5.960 645 HB2 TYR 80 HB2 TYR 80 -8.423 -8.600 3.875 646 HB3 TYR 80 HB3 TYR 80 -9.959 -9.346 4.300 647 HD1 TYR 80 HD1 TYR 80 -11.965 -8.910 2.968 648 HD2 TYR 80 HD2 TYR 80 -8.202 -7.239 1.893 649 HE1 TYR 80 HE1 TYR 80 -12.844 -8.385 0.732 650 HE2 TYR 80 HE2 TYR 80 -9.072 -6.708 -0.346 651 HH TYR 80 HH TYR 80 -11.718 -8.036 -1.652 652 H GLN 81 H GLN 81 -10.472 -5.508 3.402 653 HA GLN 81 HA GLN 81 -8.026 -4.278 2.812 654 HB2 GLN 81 HB2 GLN 81 -10.894 -3.549 2.487 655 HB3 GLN 81 HB3 GLN 81 -9.704 -2.267 2.313 656 HG2 GLN 81 HG2 GLN 81 -9.079 -4.719 0.837 657 HG3 GLN 81 HG3 GLN 81 -10.544 -3.890 0.313 658 HE21 GLN 81 HE21 GLN 81 -9.059 -3.781 -1.636 659 HE22 GLN 81 HE22 GLN 81 -8.077 -2.367 -1.773 660 H SER 82 H SER 82 -10.656 -2.785 4.701 661 HA SER 82 HA SER 82 -9.196 -0.726 5.801 662 HB2 SER 82 HB2 SER 82 -11.741 -1.256 5.942 663 HB3 SER 82 HB3 SER 82 -11.315 -2.115 7.421 664 HG SER 82 HG SER 82 -10.762 0.614 6.858 665 H LYS 83 H LYS 83 -9.424 -4.066 6.850 666 HA LYS 83 HA LYS 83 -8.170 -3.745 9.365 667 HB2 LYS 83 HB2 LYS 83 -8.689 -6.066 7.544 668 HB3 LYS 83 HB3 LYS 83 -7.618 -6.275 8.924 669 HG2 LYS 83 HG2 LYS 83 -9.387 -5.608 10.438 670 HG3 LYS 83 HG3 LYS 83 -10.464 -5.300 9.073 671 HD2 LYS 83 HD2 LYS 83 -10.656 -7.568 8.558 672 HD3 LYS 83 HD3 LYS 83 -9.204 -7.993 9.467 673 HE2 LYS 83 HE2 LYS 83 -10.367 -7.459 11.557 674 HE3 LYS 83 HE3 LYS 83 -11.817 -7.045 10.644 675 HZ1 LYS 83 HZ1 LYS 83 -10.600 -9.708 10.339 676 HZ2 LYS 83 HZ2 LYS 83 -12.206 -9.234 10.101 677 HZ3 LYS 83 HZ3 LYS 83 -11.593 -9.385 11.670 678 H LYS 84 H LYS 84 -6.886 -4.892 6.244 679 HA LYS 84 HA LYS 84 -4.226 -5.174 7.047 680 HB2 LYS 84 HB2 LYS 84 -3.757 -5.582 4.843 681 HB3 LYS 84 HB3 LYS 84 -5.503 -5.798 4.808 682 HG2 LYS 84 HG2 LYS 84 -5.339 -4.414 3.041 683 HG3 LYS 84 HG3 LYS 84 -5.379 -3.173 4.297 684 HD2 LYS 84 HD2 LYS 84 -2.786 -3.514 4.304 685 HD3 LYS 84 HD3 LYS 84 -3.068 -4.184 2.696 686 HE2 LYS 84 HE2 LYS 84 -4.541 -1.902 2.593 687 HE3 LYS 84 HE3 LYS 84 -3.216 -1.408 3.646 688 HZ1 LYS 84 HZ1 LYS 84 -1.707 -1.592 1.988 689 HZ2 LYS 84 HZ2 LYS 84 -3.060 -1.271 1.025 690 HZ3 LYS 84 HZ3 LYS 84 -2.515 -2.861 1.214 691 H LEU 85 H LEU 85 -6.080 -2.354 6.470 692 HA LEU 85 HA LEU 85 -4.037 -0.560 5.720 693 HB2 LEU 85 HB2 LEU 85 -6.755 -0.423 6.044 694 HB3 LEU 85 HB3 LEU 85 -6.165 0.569 7.377 695 HG LEU 85 HG LEU 85 -5.456 0.995 4.476 696 HD11 LEU 85 HD11 LEU 85 -7.747 1.848 6.091 697 HD12 LEU 85 HD12 LEU 85 -7.551 1.777 4.340 698 HD13 LEU 85 HD13 LEU 85 -6.917 3.153 5.243 699 HD21 LEU 85 HD21 LEU 85 -4.841 3.288 5.508 700 HD22 LEU 85 HD22 LEU 85 -3.721 1.937 5.687 701 HD23 LEU 85 HD23 LEU 85 -4.772 2.397 7.029 702 H LYS 86 H LYS 86 -5.104 -1.791 8.813 703 HA LYS 86 HA LYS 86 -3.714 0.115 10.412 704 HB2 LYS 86 HB2 LYS 86 -4.499 -1.054 12.228 705 HB3 LYS 86 HB3 LYS 86 -5.658 -1.564 11.007 706 HG2 LYS 86 HG2 LYS 86 -4.261 -3.593 10.630 707 HG3 LYS 86 HG3 LYS 86 -3.270 -3.098 12.005 708 HD2 LYS 86 HD2 LYS 86 -4.902 -4.716 12.740 709 HD3 LYS 86 HD3 LYS 86 -5.298 -3.139 13.426 710 HE2 LYS 86 HE2 LYS 86 -6.622 -3.305 10.945 711 HE3 LYS 86 HE3 LYS 86 -6.889 -4.842 11.763 712 HZ1 LYS 86 HZ1 LYS 86 -8.383 -3.860 13.041 713 HZ2 LYS 86 HZ2 LYS 86 -8.127 -2.384 12.256 714 HZ3 LYS 86 HZ3 LYS 86 -7.219 -2.781 13.627 715 H GLU 87 H GLU 87 -2.621 -2.336 8.440 716 HA GLU 87 HA GLU 87 -0.527 -3.466 9.940 717 HB2 GLU 87 HB2 GLU 87 -0.839 -3.060 6.963 718 HB3 GLU 87 HB3 GLU 87 0.471 -3.981 7.687 719 HG2 GLU 87 HG2 GLU 87 -2.431 -4.624 8.124 720 HG3 GLU 87 HG3 GLU 87 -1.463 -5.325 6.828 721 H LEU 88 H LEU 88 0.072 -1.341 7.166 722 HA LEU 88 HA LEU 88 2.576 -0.479 8.127 723 HB2 LEU 88 HB2 LEU 88 2.230 1.354 6.356 724 HB3 LEU 88 HB3 LEU 88 2.340 -0.325 5.833 725 HG LEU 88 HG LEU 88 0.553 1.232 4.785 726 HD11 LEU 88 HD11 LEU 88 -0.088 -0.720 3.961 727 HD12 LEU 88 HD12 LEU 88 -1.000 -1.049 5.434 728 HD13 LEU 88 HD13 LEU 88 0.686 -1.554 5.310 729 HD21 LEU 88 HD21 LEU 88 -0.963 0.368 7.237 730 HD22 LEU 88 HD22 LEU 88 -1.514 1.418 5.931 731 HD23 LEU 88 HD23 LEU 88 -0.267 1.977 7.047 732 H THR 89 H THR 89 -0.497 0.347 9.132 733 HA THR 89 HA THR 89 -0.213 3.113 9.657 734 HB THR 89 HB THR 89 -2.006 0.993 10.827 735 HG1 THR 89 HG1 THR 89 -3.203 1.622 9.210 736 HG21 THR 89 HG21 THR 89 -3.242 2.902 11.895 737 HG22 THR 89 HG22 THR 89 -1.839 3.915 11.558 738 HG23 THR 89 HG23 THR 89 -1.686 2.526 12.632 739 H SER 90 H SER 90 0.275 0.243 11.699 740 HA SER 90 HA SER 90 1.170 1.780 13.946 741 HB2 SER 90 HB2 SER 90 0.527 -0.980 13.392 742 HB3 SER 90 HB3 SER 90 2.062 -0.873 14.254 743 HG SER 90 HG SER 90 0.851 0.610 15.708 744 H ILE 91 H ILE 91 2.694 0.096 11.277 745 HA ILE 91 HA ILE 91 5.345 0.202 12.319 746 HB ILE 91 HB ILE 91 4.431 -0.090 9.454 747 HG12 ILE 91 HG12 ILE 91 5.343 -2.265 11.337 748 HG13 ILE 91 HG13 ILE 91 3.649 -1.823 11.154 749 HG21 ILE 91 HG21 ILE 91 6.688 -1.145 9.166 750 HG22 ILE 91 HG22 ILE 91 6.711 0.593 9.464 751 HG23 ILE 91 HG23 ILE 91 7.105 -0.530 10.766 752 HD11 ILE 91 HD11 ILE 91 3.461 -3.001 9.287 753 HD12 ILE 91 HD12 ILE 91 4.924 -2.291 8.601 754 HD13 ILE 91 HD13 ILE 91 5.040 -3.687 9.673 755 H SER 92 H SER 92 3.371 2.345 10.375 756 HA SER 92 HA SER 92 5.490 4.056 9.541 757 HB2 SER 92 HB2 SER 92 3.683 5.608 8.887 758 HB3 SER 92 HB3 SER 92 3.371 3.969 8.317 759 HG SER 92 HG SER 92 1.609 5.224 9.438 760 H ASN 93 H ASN 93 6.284 5.899 10.436 761 HA ASN 93 HA ASN 93 5.793 6.296 13.254 762 HB2 ASN 93 HB2 ASN 93 7.759 7.380 11.267 763 HB3 ASN 93 HB3 ASN 93 7.542 8.197 12.813 764 HD21 ASN 93 HD21 ASN 93 8.188 5.023 11.398 765 HD22 ASN 93 HD22 ASN 93 9.207 4.466 12.676 766 H ILE 94 H ILE 94 5.009 7.867 10.239 767 HA ILE 94 HA ILE 94 4.127 10.320 11.451 768 HB ILE 94 HB ILE 94 3.475 9.307 8.684 769 HG12 ILE 94 HG12 ILE 94 5.894 9.280 8.996 770 HG13 ILE 94 HG13 ILE 94 5.438 10.607 7.933 771 HG21 ILE 94 HG21 ILE 94 2.097 11.133 9.095 772 HG22 ILE 94 HG22 ILE 94 3.325 11.970 10.045 773 HG23 ILE 94 HG23 ILE 94 3.490 11.858 8.293 774 HD11 ILE 94 HD11 ILE 94 6.515 12.017 9.244 775 HD12 ILE 94 HD12 ILE 94 5.460 11.586 10.590 776 HD13 ILE 94 HD13 ILE 94 6.954 10.689 10.319 777 H ARG 95 H ARG 95 2.772 9.004 13.032 778 HA ARG 95 HA ARG 95 0.234 8.079 11.955 779 HB2 ARG 95 HB2 ARG 95 1.653 7.868 14.552 780 HB3 ARG 95 HB3 ARG 95 -0.104 7.873 14.613 781 HG2 ARG 95 HG2 ARG 95 1.160 6.065 12.643 782 HG3 ARG 95 HG3 ARG 95 1.333 5.648 14.349 783 HD2 ARG 95 HD2 ARG 95 -0.624 4.555 13.545 784 HD3 ARG 95 HD3 ARG 95 -1.149 5.891 14.570 785 HE ARG 95 HE ARG 95 -1.002 6.543 11.769 786 HH11 ARG 95 HH11 ARG 95 -2.985 5.257 14.325 787 HH12 ARG 95 HH12 ARG 95 -4.478 5.626 13.529 788 HH21 ARG 95 HH21 ARG 95 -2.962 7.034 10.711 789 HH22 ARG 95 HH22 ARG 95 -4.464 6.636 11.473 790 H TYR 96 H TYR 96 1.561 10.784 13.725 791 HA TYR 96 HA TYR 96 -1.126 11.971 13.911 792 HB2 TYR 96 HB2 TYR 96 -0.188 13.451 15.634 793 HB3 TYR 96 HB3 TYR 96 0.018 11.756 16.064 794 HD1 TYR 96 HD1 TYR 96 2.245 10.718 15.994 795 HD2 TYR 96 HD2 TYR 96 1.706 14.862 15.187 796 HE1 TYR 96 HE1 TYR 96 4.657 11.086 16.301 797 HE2 TYR 96 HE2 TYR 96 4.118 15.240 15.490 798 HH TYR 96 HH TYR 96 6.351 12.562 15.985 799 H GLY 97 H GLY 97 -0.956 14.497 13.870 800 HA2 GLY 97 HA2 GLY 97 0.737 16.144 12.736 801 HA3 GLY 97 HA3 GLY 97 0.365 15.149 11.336 802 H TYR 98 H TYR 98 -1.833 15.112 10.560 803 HA TYR 98 HA TYR 98 -3.652 16.232 9.765 804 HB2 TYR 98 HB2 TYR 98 -3.965 17.010 12.671 805 HB3 TYR 98 HB3 TYR 98 -5.235 16.995 11.453 806 HD1 TYR 98 HD2 TYR 98 -5.572 14.651 10.259 807 HD2 TYR 98 HD1 TYR 98 -3.775 15.189 14.079 808 HE1 TYR 98 HE2 TYR 98 -6.092 12.315 10.828 809 HE2 TYR 98 HE1 TYR 98 -4.289 12.855 14.657 810 HH TYR 98 HH TYR 98 -4.856 10.558 12.700 Start of MODEL 7 1 H1 MET 1 H MET 1 33.553 4.840 -5.144 2 HA MET 1 HA MET 1 31.357 3.248 -4.323 3 HB2 MET 1 HB2 MET 1 33.376 2.888 -6.541 4 HB3 MET 1 HB3 MET 1 31.980 1.843 -6.316 5 HG2 MET 1 HG2 MET 1 31.551 4.778 -6.514 6 HG3 MET 1 HG3 MET 1 31.917 3.868 -7.978 7 HE1 MET 1 HE1 MET 1 29.804 4.855 -5.295 8 HE2 MET 1 HE2 MET 1 28.439 5.115 -6.381 9 HE3 MET 1 HE3 MET 1 28.400 3.789 -5.219 10 H GLY 2 H GLY 2 31.711 2.171 -2.422 11 HA2 GLY 2 HA2 GLY 2 34.050 0.386 -2.290 12 HA3 GLY 2 HA3 GLY 2 33.113 0.937 -0.909 13 H LYS 3 H LYS 3 31.811 -0.522 -0.045 14 HA LYS 3 HA LYS 3 31.170 -2.929 -1.554 15 HB2 LYS 3 HB2 LYS 3 31.002 -2.166 1.347 16 HB3 LYS 3 HB3 LYS 3 30.170 -3.592 0.743 17 HG2 LYS 3 HG2 LYS 3 32.126 -4.540 1.404 18 HG3 LYS 3 HG3 LYS 3 32.548 -4.131 -0.260 19 HD2 LYS 3 HD2 LYS 3 34.369 -3.327 0.920 20 HD3 LYS 3 HD3 LYS 3 33.358 -1.888 0.771 21 HE2 LYS 3 HE2 LYS 3 33.863 -1.797 3.000 22 HE3 LYS 3 HE3 LYS 3 32.378 -2.746 3.057 23 HZ1 LYS 3 HZ1 LYS 3 34.046 -4.721 2.844 24 HZ2 LYS 3 HZ2 LYS 3 33.757 -4.005 4.349 25 HZ3 LYS 3 HZ3 LYS 3 35.151 -3.607 3.477 26 H LEU 4 H LEU 4 29.634 -2.013 -3.000 27 HA LEU 4 HA LEU 4 27.185 -0.921 -1.870 28 HB2 LEU 4 HB2 LEU 4 28.338 -1.164 -4.608 29 HB3 LEU 4 HB3 LEU 4 26.597 -0.950 -4.429 30 HG LEU 4 HG LEU 4 27.714 1.171 -4.866 31 HD11 LEU 4 HD11 LEU 4 26.860 1.228 -1.994 32 HD12 LEU 4 HD12 LEU 4 25.707 0.910 -3.290 33 HD13 LEU 4 HD13 LEU 4 26.598 2.431 -3.257 34 HD21 LEU 4 HD21 LEU 4 29.326 2.119 -3.401 35 HD22 LEU 4 HD22 LEU 4 29.881 0.491 -3.790 36 HD23 LEU 4 HD23 LEU 4 29.125 0.816 -2.229 37 H LYS 5 H LYS 5 26.010 -2.515 -0.939 38 HA LYS 5 HA LYS 5 25.004 -4.609 -2.724 39 HB2 LYS 5 HB2 LYS 5 26.158 -5.052 0.031 40 HB3 LYS 5 HB3 LYS 5 25.136 -6.228 -0.784 41 HG2 LYS 5 HG2 LYS 5 26.839 -6.099 -2.693 42 HG3 LYS 5 HG3 LYS 5 27.892 -5.311 -1.514 43 HD2 LYS 5 HD2 LYS 5 27.382 -7.323 -0.007 44 HD3 LYS 5 HD3 LYS 5 26.772 -8.098 -1.470 45 HE2 LYS 5 HE2 LYS 5 28.884 -8.012 -2.515 46 HE3 LYS 5 HE3 LYS 5 29.511 -6.870 -1.328 47 HZ1 LYS 5 HZ1 LYS 5 30.406 -8.995 -0.836 48 HZ2 LYS 5 HZ2 LYS 5 28.889 -9.739 -0.905 49 HZ3 LYS 5 HZ3 LYS 5 29.249 -8.667 0.354 50 H TRP 6 H TRP 6 23.108 -5.782 -1.621 51 HA TRP 6 HA TRP 6 21.282 -3.731 -0.690 52 HB2 TRP 6 HB2 TRP 6 21.003 -6.535 -1.693 53 HB3 TRP 6 HB3 TRP 6 19.696 -5.840 -0.738 54 HD1 TRP 6 HD1 TRP 6 21.061 -5.937 -4.203 55 HE1 TRP 6 HE1 TRP 6 19.733 -4.339 -5.723 56 HE3 TRP 6 HE3 TRP 6 18.452 -3.392 -0.619 57 HZ2 TRP 6 HZ2 TRP 6 17.832 -2.273 -5.438 58 HZ3 TRP 6 HZ3 TRP 6 16.900 -1.618 -1.326 59 HH2 TRP 6 HH2 TRP 6 16.598 -1.072 -3.686 60 H PHE 7 H PHE 7 20.561 -3.476 1.336 61 HA PHE 7 HA PHE 7 20.809 -5.629 3.275 62 HB2 PHE 7 HB2 PHE 7 22.956 -4.581 3.538 63 HB3 PHE 7 HB3 PHE 7 22.229 -2.978 3.569 64 HD1 PHE 7 HD2 PHE 7 22.446 -6.170 5.437 65 HD2 PHE 7 HD1 PHE 7 21.535 -2.015 5.581 66 HE1 PHE 7 HE2 PHE 7 22.297 -6.290 7.889 67 HE2 PHE 7 HE1 PHE 7 21.386 -2.128 8.033 68 HZ PHE 7 HZ PHE 7 21.766 -4.268 9.192 69 H SER 8 H SER 8 18.867 -5.740 4.166 70 HA SER 8 HA SER 8 16.950 -3.675 4.065 71 HB2 SER 8 HB2 SER 8 16.009 -5.799 4.226 72 HB3 SER 8 HB3 SER 8 17.127 -6.308 5.492 73 HG SER 8 HG SER 8 14.897 -4.580 5.711 74 H GLY 9 H GLY 9 18.134 -5.153 7.079 75 HA2 GLY 9 HA2 GLY 9 19.222 -3.929 8.828 76 HA3 GLY 9 HA3 GLY 9 18.516 -2.453 8.186 77 H GLY 10 H GLY 10 17.215 -5.613 9.224 78 HA2 GLY 10 HA2 GLY 10 16.078 -5.071 11.590 79 HA3 GLY 10 HA3 GLY 10 14.974 -4.264 10.486 80 H LYS 11 H LYS 11 13.536 -5.889 11.637 81 HA LYS 11 HA LYS 11 13.758 -8.626 10.738 82 HB2 LYS 11 HB2 LYS 11 12.834 -7.838 12.997 83 HB3 LYS 11 HB3 LYS 11 11.378 -7.395 12.116 84 HG2 LYS 11 HG2 LYS 11 10.780 -9.480 12.767 85 HG3 LYS 11 HG3 LYS 11 11.590 -9.892 11.254 86 HD2 LYS 11 HD2 LYS 11 13.334 -9.734 13.622 87 HD3 LYS 11 HD3 LYS 11 12.146 -11.040 13.642 88 HE2 LYS 11 HE2 LYS 11 13.061 -11.294 11.130 89 HE3 LYS 11 HE3 LYS 11 14.501 -10.632 11.902 90 HZ1 LYS 11 HZ1 LYS 11 14.495 -12.418 13.473 91 HZ2 LYS 11 HZ2 LYS 11 14.410 -13.082 11.919 92 HZ3 LYS 11 HZ3 LYS 11 13.024 -13.012 12.885 93 H GLU 12 H GLU 12 13.704 -7.211 8.491 94 HA GLU 12 HA GLU 12 12.600 -6.772 6.540 95 HB2 GLU 12 HB2 GLU 12 10.716 -9.003 7.198 96 HB3 GLU 12 HB3 GLU 12 11.474 -8.603 5.663 97 HG2 GLU 12 HG2 GLU 12 13.617 -9.397 6.500 98 HG3 GLU 12 HG3 GLU 12 12.876 -9.779 8.053 99 H ARG 13 H ARG 13 11.634 -5.309 8.818 100 HA ARG 13 HA ARG 13 8.792 -5.267 8.851 101 HB2 ARG 13 HB2 ARG 13 10.761 -3.131 9.692 102 HB3 ARG 13 HB3 ARG 13 9.048 -3.160 10.094 103 HG2 ARG 13 HG2 ARG 13 10.891 -5.394 10.874 104 HG3 ARG 13 HG3 ARG 13 10.693 -3.950 11.869 105 HD2 ARG 13 HD2 ARG 13 8.405 -5.684 10.963 106 HD3 ARG 13 HD3 ARG 13 9.238 -5.893 12.503 107 HE ARG 13 HE ARG 13 7.292 -3.903 11.857 108 HH11 ARG 13 HH11 ARG 13 10.093 -4.575 13.813 109 HH12 ARG 13 HH12 ARG 13 9.672 -3.429 15.041 110 HH21 ARG 13 HH21 ARG 13 6.727 -2.390 13.469 111 HH22 ARG 13 HH22 ARG 13 7.757 -2.187 14.845 112 H SER 14 H SER 14 11.218 -3.739 6.885 113 HA SER 14 HA SER 14 9.524 -1.705 5.808 114 HB2 SER 14 HB2 SER 14 12.222 -2.805 5.070 115 HB3 SER 14 HB3 SER 14 11.394 -1.671 4.004 116 HG SER 14 HG SER 14 11.180 -0.481 6.205 117 H ASN 15 H ASN 15 10.512 -4.935 4.780 118 HA ASN 15 HA ASN 15 9.156 -4.790 2.262 119 HB2 ASN 15 HB2 ASN 15 10.795 -6.738 3.709 120 HB3 ASN 15 HB3 ASN 15 9.493 -7.478 2.781 121 HD21 ASN 15 HD21 ASN 15 11.753 -4.775 2.321 122 HD22 ASN 15 HD22 ASN 15 12.272 -5.258 0.746 123 H GLN 16 H GLN 16 8.130 -5.235 5.438 124 HA GLN 16 HA GLN 16 6.075 -7.111 5.194 125 HB2 GLN 16 HB2 GLN 16 7.034 -5.888 7.288 126 HB3 GLN 16 HB3 GLN 16 5.789 -4.694 6.945 127 HG2 GLN 16 HG2 GLN 16 4.122 -6.571 7.003 128 HG3 GLN 16 HG3 GLN 16 5.418 -7.599 7.612 129 HE21 GLN 16 HE21 GLN 16 2.980 -6.950 8.943 130 HE22 GLN 16 HE22 GLN 16 3.393 -6.113 10.396 131 H ALA 17 H ALA 17 5.759 -3.556 5.144 132 HA ALA 17 HA ALA 17 3.101 -3.397 4.424 133 HB1 ALA 17 HB1 ALA 17 4.083 -1.230 3.152 134 HB2 ALA 17 HB2 ALA 17 3.826 -1.318 4.895 135 HB3 ALA 17 HB3 ALA 17 5.431 -1.609 4.225 136 H GLU 18 H GLU 18 5.932 -3.586 2.284 137 HA GLU 18 HA GLU 18 4.681 -3.322 -0.164 138 HB2 GLU 18 HB2 GLU 18 7.165 -4.618 0.793 139 HB3 GLU 18 HB3 GLU 18 6.585 -5.129 -0.786 140 HG2 GLU 18 HG2 GLU 18 6.445 -2.619 -1.315 141 HG3 GLU 18 HG3 GLU 18 7.476 -2.415 0.099 142 H ASN 19 H ASN 19 5.260 -6.320 1.665 143 HA ASN 19 HA ASN 19 4.032 -8.063 -0.157 144 HB2 ASN 19 HB2 ASN 19 5.379 -9.086 1.473 145 HB3 ASN 19 HB3 ASN 19 4.593 -8.224 2.793 146 HD21 ASN 19 HD21 ASN 19 3.751 -9.761 4.023 147 HD22 ASN 19 HD22 ASN 19 2.699 -11.018 3.478 148 H ILE 20 H ILE 20 2.729 -6.245 2.577 149 HA ILE 20 HA ILE 20 0.169 -7.371 2.639 150 HB ILE 20 HB ILE 20 0.988 -4.544 3.318 151 HG12 ILE 20 HG12 ILE 20 0.494 -6.789 5.259 152 HG13 ILE 20 HG13 ILE 20 2.074 -6.566 4.515 153 HG21 ILE 20 HG21 ILE 20 -1.407 -4.690 2.980 154 HG22 ILE 20 HG22 ILE 20 -1.496 -6.090 4.046 155 HG23 ILE 20 HG23 ILE 20 -1.051 -4.512 4.698 156 HD11 ILE 20 HD11 ILE 20 2.553 -4.774 5.775 157 HD12 ILE 20 HD12 ILE 20 0.898 -4.163 5.729 158 HD13 ILE 20 HD13 ILE 20 1.330 -5.457 6.846 159 H ILE 21 H ILE 21 1.246 -4.375 1.030 160 HA ILE 21 HA ILE 21 -1.112 -3.647 -0.186 161 HB ILE 21 HB ILE 21 1.660 -3.399 -1.359 162 HG12 ILE 21 HG12 ILE 21 0.086 -1.373 0.237 163 HG13 ILE 21 HG13 ILE 21 1.303 -2.431 0.943 164 HG21 ILE 21 HG21 ILE 21 -0.904 -2.721 -2.418 165 HG22 ILE 21 HG22 ILE 21 0.003 -1.244 -2.101 166 HG23 ILE 21 HG23 ILE 21 0.690 -2.494 -3.138 167 HD11 ILE 21 HD11 ILE 21 1.915 -0.585 -1.340 168 HD12 ILE 21 HD12 ILE 21 2.029 -0.086 0.348 169 HD13 ILE 21 HD13 ILE 21 3.039 -1.400 -0.252 170 H THR 22 H THR 22 1.331 -5.929 -1.364 171 HA THR 22 HA THR 22 0.248 -6.451 -3.878 172 HB THR 22 HB THR 22 1.709 -8.400 -2.084 173 HG1 THR 22 HG1 THR 22 3.534 -7.646 -3.358 174 HG21 THR 22 HG21 THR 22 1.374 -8.367 -5.087 175 HG22 THR 22 HG22 THR 22 0.573 -9.479 -3.977 176 HG23 THR 22 HG23 THR 22 2.326 -9.526 -4.160 177 H ASP 23 H ASP 23 -0.675 -7.620 -0.717 178 HA ASP 23 HA ASP 23 -2.201 -9.843 -1.428 179 HB2 ASP 23 HB2 ASP 23 -1.566 -9.046 0.910 180 HB3 ASP 23 HB3 ASP 23 -2.933 -7.940 0.795 181 H LEU 24 H LEU 24 -3.575 -6.676 -0.538 182 HA LEU 24 HA LEU 24 -6.127 -7.077 -1.459 183 HB2 LEU 24 HB2 LEU 24 -4.480 -4.560 -1.411 184 HB3 LEU 24 HB3 LEU 24 -6.201 -4.580 -1.790 185 HG LEU 24 HG LEU 24 -4.899 -5.307 0.830 186 HD11 LEU 24 HD11 LEU 24 -6.145 -3.426 1.695 187 HD12 LEU 24 HD12 LEU 24 -6.862 -3.135 0.111 188 HD13 LEU 24 HD13 LEU 24 -5.130 -2.904 0.350 189 HD21 LEU 24 HD21 LEU 24 -6.673 -6.852 0.565 190 HD22 LEU 24 HD22 LEU 24 -7.742 -5.619 -0.106 191 HD23 LEU 24 HD23 LEU 24 -7.289 -5.561 1.599 192 H LEU 25 H LEU 25 -3.287 -6.088 -3.294 193 HA LEU 25 HA LEU 25 -4.489 -5.351 -5.686 194 HB2 LEU 25 HB2 LEU 25 -1.842 -6.213 -4.813 195 HB3 LEU 25 HB3 LEU 25 -2.192 -6.624 -6.491 196 HG LEU 25 HG LEU 25 -0.983 -4.473 -6.200 197 HD11 LEU 25 HD11 LEU 25 -3.281 -3.316 -7.360 198 HD12 LEU 25 HD12 LEU 25 -3.288 -5.028 -7.781 199 HD13 LEU 25 HD13 LEU 25 -1.887 -4.031 -8.172 200 HD21 LEU 25 HD21 LEU 25 -1.728 -2.782 -4.924 201 HD22 LEU 25 HD22 LEU 25 -2.659 -4.040 -4.109 202 HD23 LEU 25 HD23 LEU 25 -3.414 -3.056 -5.365 203 H ASP 26 H ASP 26 -3.212 -8.560 -4.800 204 HA ASP 26 HA ASP 26 -4.107 -9.883 -7.111 205 HB2 ASP 26 HB2 ASP 26 -2.439 -10.658 -5.272 206 HB3 ASP 26 HB3 ASP 26 -3.875 -11.269 -4.456 207 H ASP 27 H ASP 27 -5.640 -9.323 -3.985 208 HA ASP 27 HA ASP 27 -7.861 -10.995 -4.309 209 HB2 ASP 27 HB2 ASP 27 -7.007 -9.579 -2.253 210 HB3 ASP 27 HB3 ASP 27 -8.138 -8.384 -2.877 211 H LEU 28 H LEU 28 -7.638 -7.477 -4.866 212 HA LEU 28 HA LEU 28 -10.197 -7.310 -6.093 213 HB2 LEU 28 HB2 LEU 28 -9.759 -5.059 -6.394 214 HB3 LEU 28 HB3 LEU 28 -8.802 -5.465 -4.971 215 HG LEU 28 HG LEU 28 -6.938 -5.807 -6.874 216 HD11 LEU 28 HD11 LEU 28 -7.524 -4.975 -8.841 217 HD12 LEU 28 HD12 LEU 28 -7.686 -3.388 -8.091 218 HD13 LEU 28 HD13 LEU 28 -9.083 -4.457 -8.200 219 HD21 LEU 28 HD21 LEU 28 -7.191 -4.228 -4.775 220 HD22 LEU 28 HD22 LEU 28 -7.444 -3.003 -6.019 221 HD23 LEU 28 HD23 LEU 28 -5.951 -3.943 -5.995 222 H LYS 29 H LYS 29 -7.129 -8.298 -7.212 223 HA LYS 29 HA LYS 29 -7.035 -7.568 -9.852 224 HB2 LYS 29 HB2 LYS 29 -5.387 -9.001 -8.528 225 HB3 LYS 29 HB3 LYS 29 -6.411 -10.372 -8.937 226 HG2 LYS 29 HG2 LYS 29 -6.059 -9.897 -11.324 227 HG3 LYS 29 HG3 LYS 29 -4.987 -8.566 -10.883 228 HD2 LYS 29 HD2 LYS 29 -3.664 -10.319 -9.563 229 HD3 LYS 29 HD3 LYS 29 -4.586 -11.516 -10.477 230 HE2 LYS 29 HE2 LYS 29 -3.764 -10.589 -12.565 231 HE3 LYS 29 HE3 LYS 29 -2.903 -9.325 -11.688 232 HZ1 LYS 29 HZ1 LYS 29 -2.193 -12.102 -12.097 233 HZ2 LYS 29 HZ2 LYS 29 -1.928 -11.525 -10.529 234 HZ3 LYS 29 HZ3 LYS 29 -1.200 -10.755 -11.848 235 H THR 30 H THR 30 -8.888 -10.227 -8.423 236 HA THR 30 HA THR 30 -10.078 -10.859 -11.006 237 HB THR 30 HB THR 30 -11.350 -12.586 -9.557 238 HG1 THR 30 HG1 THR 30 -10.956 -12.032 -7.498 239 HG21 THR 30 HG21 THR 30 -9.838 -13.692 -10.821 240 HG22 THR 30 HG22 THR 30 -8.950 -13.821 -9.303 241 HG23 THR 30 HG23 THR 30 -8.546 -12.550 -10.457 242 H ASP 31 H ASP 31 -10.923 -8.481 -10.751 243 HA ASP 31 HA ASP 31 -13.721 -8.640 -10.435 244 HB2 ASP 31 HB2 ASP 31 -12.636 -8.436 -7.999 245 HB3 ASP 31 HB3 ASP 31 -12.657 -6.726 -8.420 246 H LEU 32 H LEU 32 -14.611 -6.201 -10.286 247 HA LEU 32 HA LEU 32 -12.998 -4.641 -12.197 248 HB2 LEU 32 HB2 LEU 32 -15.932 -5.179 -12.045 249 HB3 LEU 32 HB3 LEU 32 -15.353 -3.686 -12.782 250 HG LEU 32 HG LEU 32 -15.813 -5.349 -14.481 251 HD11 LEU 32 HD11 LEU 32 -13.899 -3.759 -14.727 252 HD12 LEU 32 HD12 LEU 32 -13.756 -5.238 -15.677 253 HD13 LEU 32 HD13 LEU 32 -12.831 -5.055 -14.187 254 HD21 LEU 32 HD21 LEU 32 -15.102 -7.500 -14.454 255 HD22 LEU 32 HD22 LEU 32 -15.108 -7.222 -12.712 256 HD23 LEU 32 HD23 LEU 32 -13.598 -7.111 -13.618 257 H ASP 33 H ASP 33 -13.541 -4.669 -9.109 258 HA ASP 33 HA ASP 33 -14.500 -1.952 -8.726 259 HB2 ASP 33 HB2 ASP 33 -13.703 -4.165 -6.842 260 HB3 ASP 33 HB3 ASP 33 -14.016 -2.527 -6.272 261 H ASN 34 H ASN 34 -13.283 -0.290 -7.765 262 HA ASN 34 HA ASN 34 -11.421 1.058 -7.838 263 HB2 ASN 34 HB2 ASN 34 -9.612 0.200 -6.305 264 HB3 ASN 34 HB3 ASN 34 -11.230 0.205 -5.610 265 HD21 ASN 34 HD21 ASN 34 -11.988 -1.616 -4.772 266 HD22 ASN 34 HD22 ASN 34 -11.264 -3.175 -4.946 267 H GLU 35 H GLU 35 -11.492 0.066 -10.258 268 HA GLU 35 HA GLU 35 -9.307 -1.566 -11.028 269 HB2 GLU 35 HB2 GLU 35 -11.348 -1.251 -12.398 270 HB3 GLU 35 HB3 GLU 35 -10.865 0.412 -12.701 271 HG2 GLU 35 HG2 GLU 35 -9.110 -0.206 -14.071 272 HG3 GLU 35 HG3 GLU 35 -9.027 -1.834 -13.400 273 H SER 36 H SER 36 -9.803 1.848 -11.917 274 HA SER 36 HA SER 36 -7.095 2.313 -12.518 275 HB2 SER 36 HB2 SER 36 -9.165 4.374 -11.728 276 HB3 SER 36 HB3 SER 36 -7.694 4.659 -12.658 277 HG SER 36 HG SER 36 -9.943 4.234 -13.707 278 H LEU 37 H LEU 37 -8.808 2.278 -9.534 279 HA LEU 37 HA LEU 37 -7.264 4.003 -7.976 280 HB2 LEU 37 HB2 LEU 37 -9.414 2.436 -7.524 281 HB3 LEU 37 HB3 LEU 37 -8.168 1.506 -6.695 282 HG LEU 37 HG LEU 37 -9.323 2.949 -5.133 283 HD11 LEU 37 HD11 LEU 37 -6.888 2.521 -4.870 284 HD12 LEU 37 HD12 LEU 37 -7.432 4.030 -4.136 285 HD13 LEU 37 HD13 LEU 37 -6.575 4.058 -5.677 286 HD21 LEU 37 HD21 LEU 37 -9.537 4.713 -7.205 287 HD22 LEU 37 HD22 LEU 37 -8.295 5.469 -6.206 288 HD23 LEU 37 HD23 LEU 37 -9.872 5.086 -5.514 289 H LYS 38 H LYS 38 -6.654 0.744 -9.074 290 HA LYS 38 HA LYS 38 -4.680 -0.106 -7.353 291 HB2 LYS 38 HB2 LYS 38 -4.742 -0.489 -10.352 292 HB3 LYS 38 HB3 LYS 38 -3.824 -1.463 -9.211 293 HG2 LYS 38 HG2 LYS 38 -5.841 -2.313 -8.226 294 HG3 LYS 38 HG3 LYS 38 -6.826 -1.224 -9.208 295 HD2 LYS 38 HD2 LYS 38 -7.002 -3.114 -10.471 296 HD3 LYS 38 HD3 LYS 38 -5.531 -2.442 -11.179 297 HE2 LYS 38 HE2 LYS 38 -4.161 -3.877 -9.823 298 HE3 LYS 38 HE3 LYS 38 -5.570 -4.453 -8.934 299 HZ1 LYS 38 HZ1 LYS 38 -4.787 -5.037 -11.720 300 HZ2 LYS 38 HZ2 LYS 38 -6.387 -5.235 -11.208 301 HZ3 LYS 38 HZ3 LYS 38 -5.148 -6.121 -10.471 302 H LYS 39 H LYS 39 -4.525 2.361 -9.795 303 HA LYS 39 HA LYS 39 -1.813 2.560 -10.275 304 HB2 LYS 39 HB2 LYS 39 -2.203 4.772 -10.996 305 HB3 LYS 39 HB3 LYS 39 -3.710 3.918 -11.299 306 HG2 LYS 39 HG2 LYS 39 -4.669 4.861 -9.270 307 HG3 LYS 39 HG3 LYS 39 -3.152 5.699 -8.935 308 HD2 LYS 39 HD2 LYS 39 -4.672 7.259 -9.942 309 HD3 LYS 39 HD3 LYS 39 -3.404 6.886 -11.113 310 HE2 LYS 39 HE2 LYS 39 -4.925 5.243 -12.169 311 HE3 LYS 39 HE3 LYS 39 -6.191 5.731 -11.043 312 HZ1 LYS 39 HZ1 LYS 39 -5.743 6.829 -13.477 313 HZ2 LYS 39 HZ2 LYS 39 -4.996 7.938 -12.440 314 HZ3 LYS 39 HZ3 LYS 39 -6.629 7.550 -12.229 315 H VAL 40 H VAL 40 -3.658 3.654 -7.492 316 HA VAL 40 HA VAL 40 -1.587 5.180 -6.295 317 HB VAL 40 HB VAL 40 -4.056 3.897 -5.130 318 HG11 VAL 40 HG11 VAL 40 -2.417 4.040 -3.363 319 HG12 VAL 40 HG12 VAL 40 -2.057 5.715 -3.787 320 HG13 VAL 40 HG13 VAL 40 -3.638 5.291 -3.131 321 HG21 VAL 40 HG21 VAL 40 -3.484 6.824 -5.471 322 HG22 VAL 40 HG22 VAL 40 -4.174 5.857 -6.775 323 HG23 VAL 40 HG23 VAL 40 -5.038 6.020 -5.246 324 H LEU 41 H LEU 41 -2.953 2.107 -5.109 325 HA LEU 41 HA LEU 41 -0.941 1.455 -3.347 326 HB2 LEU 41 HB2 LEU 41 -2.455 -0.532 -5.030 327 HB3 LEU 41 HB3 LEU 41 -1.716 -0.815 -3.455 328 HG LEU 41 HG LEU 41 -3.779 1.289 -3.532 329 HD11 LEU 41 HD11 LEU 41 -5.607 0.007 -3.957 330 HD12 LEU 41 HD12 LEU 41 -4.818 -1.488 -3.456 331 HD13 LEU 41 HD13 LEU 41 -4.458 -0.787 -5.034 332 HD21 LEU 41 HD21 LEU 41 -2.591 0.465 -1.493 333 HD22 LEU 41 HD22 LEU 41 -3.403 -1.085 -1.714 334 HD23 LEU 41 HD23 LEU 41 -4.350 0.371 -1.404 335 H GLU 42 H GLU 42 -1.183 0.565 -6.780 336 HA GLU 42 HA GLU 42 1.133 -0.978 -6.948 337 HB2 GLU 42 HB2 GLU 42 -0.316 0.708 -8.981 338 HB3 GLU 42 HB3 GLU 42 1.109 -0.233 -9.400 339 HG2 GLU 42 HG2 GLU 42 -0.447 -2.075 -8.110 340 HG3 GLU 42 HG3 GLU 42 -1.639 -1.090 -8.954 341 H ASN 43 H ASN 43 0.776 2.425 -7.972 342 HA ASN 43 HA ASN 43 3.427 2.980 -8.466 343 HB2 ASN 43 HB2 ASN 43 1.641 4.543 -9.022 344 HB3 ASN 43 HB3 ASN 43 1.326 4.827 -7.312 345 HD21 ASN 43 HD21 ASN 43 1.657 7.073 -7.999 346 HD22 ASN 43 HD22 ASN 43 3.268 7.698 -8.014 347 H TYR 44 H TYR 44 1.724 3.798 -5.435 348 HA TYR 44 HA TYR 44 3.901 4.607 -3.956 349 HB2 TYR 44 HB2 TYR 44 1.277 3.367 -3.226 350 HB3 TYR 44 HB3 TYR 44 2.488 3.613 -1.971 351 HD1 TYR 44 HD1 TYR 44 3.475 6.016 -1.791 352 HD2 TYR 44 HD2 TYR 44 -0.178 5.094 -3.769 353 HE1 TYR 44 HE1 TYR 44 2.764 8.360 -1.561 354 HE2 TYR 44 HE2 TYR 44 -0.899 7.434 -3.544 355 HH TYR 44 HH TYR 44 0.698 9.827 -3.216 356 H LEU 45 H LEU 45 2.634 1.322 -4.361 357 HA LEU 45 HA LEU 45 4.311 -0.005 -2.579 358 HB2 LEU 45 HB2 LEU 45 2.443 -1.131 -3.550 359 HB3 LEU 45 HB3 LEU 45 3.086 -0.910 -5.176 360 HG LEU 45 HG LEU 45 5.034 -2.395 -4.379 361 HD11 LEU 45 HD11 LEU 45 3.759 -2.196 -1.965 362 HD12 LEU 45 HD12 LEU 45 4.943 -3.427 -2.401 363 HD13 LEU 45 HD13 LEU 45 3.220 -3.769 -2.554 364 HD21 LEU 45 HD21 LEU 45 2.798 -2.900 -5.789 365 HD22 LEU 45 HD22 LEU 45 2.584 -4.035 -4.456 366 HD23 LEU 45 HD23 LEU 45 4.037 -4.110 -5.455 367 H GLU 46 H GLU 46 4.858 0.977 -5.920 368 HA GLU 46 HA GLU 46 7.310 -0.394 -6.269 369 HB2 GLU 46 HB2 GLU 46 5.666 0.884 -7.957 370 HB3 GLU 46 HB3 GLU 46 6.854 2.157 -7.720 371 HG2 GLU 46 HG2 GLU 46 7.480 0.923 -9.648 372 HG3 GLU 46 HG3 GLU 46 8.626 0.536 -8.365 373 H GLU 47 H GLU 47 6.479 2.790 -5.029 374 HA GLU 47 HA GLU 47 8.984 3.986 -5.010 375 HB2 GLU 47 HB2 GLU 47 6.757 4.257 -2.985 376 HB3 GLU 47 HB3 GLU 47 8.128 5.349 -3.123 377 HG2 GLU 47 HG2 GLU 47 7.384 5.770 -5.501 378 HG3 GLU 47 HG3 GLU 47 5.895 4.923 -5.082 379 H LEU 48 H LEU 48 7.614 1.594 -2.850 380 HA LEU 48 HA LEU 48 9.437 1.786 -0.737 381 HB2 LEU 48 HB2 LEU 48 7.823 -0.506 -1.816 382 HB3 LEU 48 HB3 LEU 48 8.856 -0.673 -0.398 383 HG LEU 48 HG LEU 48 6.987 1.571 -0.232 384 HD11 LEU 48 HD11 LEU 48 5.880 -0.546 -1.482 385 HD12 LEU 48 HD12 LEU 48 4.998 0.533 -0.401 386 HD13 LEU 48 HD13 LEU 48 5.625 -1.001 0.202 387 HD21 LEU 48 HD21 LEU 48 7.313 -0.786 1.604 388 HD22 LEU 48 HD22 LEU 48 6.766 0.844 1.996 389 HD23 LEU 48 HD23 LEU 48 8.456 0.557 1.577 390 H LYS 49 H LYS 49 9.623 0.096 -3.815 391 HA LYS 49 HA LYS 49 11.986 -1.369 -3.221 392 HB2 LYS 49 HB2 LYS 49 10.676 -0.598 -5.828 393 HB3 LYS 49 HB3 LYS 49 12.116 -1.604 -5.738 394 HG2 LYS 49 HG2 LYS 49 10.391 -3.139 -5.920 395 HG3 LYS 49 HG3 LYS 49 10.720 -3.103 -4.186 396 HD2 LYS 49 HD2 LYS 49 8.706 -2.227 -3.702 397 HD3 LYS 49 HD3 LYS 49 8.734 -1.142 -5.094 398 HE2 LYS 49 HE2 LYS 49 6.927 -2.802 -5.242 399 HE3 LYS 49 HE3 LYS 49 8.089 -2.961 -6.559 400 HZ1 LYS 49 HZ1 LYS 49 7.288 -4.905 -4.717 401 HZ2 LYS 49 HZ2 LYS 49 8.926 -4.588 -4.441 402 HZ3 LYS 49 HZ3 LYS 49 8.404 -5.058 -5.980 403 H GLN 50 H GLN 50 11.347 1.824 -4.501 404 HA GLN 50 HA GLN 50 13.989 2.332 -5.430 405 HB2 GLN 50 HB2 GLN 50 11.872 4.329 -4.617 406 HB3 GLN 50 HB3 GLN 50 13.281 4.648 -5.620 407 HG2 GLN 50 HG2 GLN 50 12.385 3.057 -7.295 408 HG3 GLN 50 HG3 GLN 50 10.932 2.902 -6.310 409 HE21 GLN 50 HE21 GLN 50 10.334 3.647 -8.676 410 HE22 GLN 50 HE22 GLN 50 10.048 5.345 -8.821 411 H LYS 51 H LYS 51 15.629 3.562 -4.487 412 HA LYS 51 HA LYS 51 15.675 3.444 -1.579 413 HB2 LYS 51 HB2 LYS 51 18.044 3.831 -1.759 414 HB3 LYS 51 HB3 LYS 51 17.589 2.603 -2.934 415 HG2 LYS 51 HG2 LYS 51 17.437 4.588 -4.587 416 HG3 LYS 51 HG3 LYS 51 18.414 5.438 -3.388 417 HD2 LYS 51 HD2 LYS 51 19.266 2.721 -4.265 418 HD3 LYS 51 HD3 LYS 51 19.533 4.086 -5.353 419 HE2 LYS 51 HE2 LYS 51 21.506 3.884 -4.077 420 HE3 LYS 51 HE3 LYS 51 20.632 5.254 -3.394 421 HZ1 LYS 51 HZ1 LYS 51 20.035 2.694 -2.185 422 HZ2 LYS 51 HZ2 LYS 51 20.320 4.195 -1.459 423 HZ3 LYS 51 HZ3 LYS 51 21.622 3.232 -1.951 424 H SER 52 H SER 52 14.344 5.549 -3.510 425 HA SER 52 HA SER 52 15.577 8.000 -2.581 426 HB2 SER 52 HB2 SER 52 14.701 7.934 -4.854 427 HB3 SER 52 HB3 SER 52 13.096 7.520 -4.251 428 HG SER 52 HG SER 52 14.509 9.952 -3.978 429 H ALA 53 H ALA 53 12.141 7.079 -2.591 430 HA ALA 53 HA ALA 53 11.600 8.657 -0.272 431 HB1 ALA 53 HB1 ALA 53 9.842 6.603 -1.610 432 HB2 ALA 53 HB2 ALA 53 9.327 7.858 -0.481 433 HB3 ALA 53 HB3 ALA 53 9.950 8.303 -2.069 434 H SER 54 H SER 54 11.208 8.031 1.814 435 HA SER 54 HA SER 54 12.452 5.601 2.682 436 HB2 SER 54 HB2 SER 54 12.347 7.905 3.890 437 HB3 SER 54 HB3 SER 54 10.777 7.346 4.466 438 HG SER 54 HG SER 54 13.341 6.369 5.032 439 H VAL 55 H VAL 55 11.441 3.960 3.986 440 HA VAL 55 HA VAL 55 9.220 2.776 2.861 441 HB VAL 55 HB VAL 55 10.636 2.436 5.454 442 HG11 VAL 55 HG11 VAL 55 8.957 0.540 5.932 443 HG12 VAL 55 HG12 VAL 55 8.503 2.191 6.358 444 HG13 VAL 55 HG13 VAL 55 7.862 1.449 4.892 445 HG21 VAL 55 HG21 VAL 55 10.510 1.168 2.898 446 HG22 VAL 55 HG22 VAL 55 11.604 0.845 4.244 447 HG23 VAL 55 HG23 VAL 55 10.058 0.003 4.144 448 HA PRO 56 HA PRO 56 6.468 4.558 6.415 449 HB2 PRO 56 HB2 PRO 56 7.546 6.516 7.956 450 HB3 PRO 56 HB3 PRO 56 7.688 4.798 8.347 451 HG2 PRO 56 HG2 PRO 56 9.670 6.609 7.025 452 HG3 PRO 56 HG3 PRO 56 9.937 5.386 8.280 453 HD2 PRO 56 HD2 PRO 56 10.479 4.934 5.667 454 HD3 PRO 56 HD3 PRO 56 9.935 3.649 6.764 455 H LEU 57 H LEU 57 8.637 6.562 4.583 456 HA LEU 57 HA LEU 57 6.994 8.905 4.592 457 HB2 LEU 57 HB2 LEU 57 9.393 8.006 3.048 458 HB3 LEU 57 HB3 LEU 57 8.497 9.437 2.540 459 HG LEU 57 HG LEU 57 9.811 9.065 5.232 460 HD11 LEU 57 HD11 LEU 57 11.697 9.775 4.315 461 HD12 LEU 57 HD12 LEU 57 10.879 11.210 3.696 462 HD13 LEU 57 HD13 LEU 57 10.932 9.737 2.726 463 HD21 LEU 57 HD21 LEU 57 9.400 11.670 5.092 464 HD22 LEU 57 HD22 LEU 57 8.165 10.572 5.708 465 HD23 LEU 57 HD23 LEU 57 8.071 11.164 4.049 466 H ILE 58 H ILE 58 7.196 6.016 2.670 467 HA ILE 58 HA ILE 58 5.550 7.088 0.539 468 HB ILE 58 HB ILE 58 6.483 4.253 1.007 469 HG12 ILE 58 HG12 ILE 58 7.582 6.079 -1.096 470 HG13 ILE 58 HG13 ILE 58 8.173 6.216 0.556 471 HG21 ILE 58 HG21 ILE 58 5.841 3.823 -1.268 472 HG22 ILE 58 HG22 ILE 58 4.454 4.482 -0.402 473 HG23 ILE 58 HG23 ILE 58 5.377 5.508 -1.499 474 HD11 ILE 58 HD11 ILE 58 8.112 3.487 -0.509 475 HD12 ILE 58 HD12 ILE 58 9.225 4.589 -1.321 476 HD13 ILE 58 HD13 ILE 58 9.358 4.324 0.417 477 H LEU 59 H LEU 59 5.239 4.659 3.114 478 HA LEU 59 HA LEU 59 2.625 3.848 2.561 479 HB2 LEU 59 HB2 LEU 59 4.130 3.984 5.166 480 HB3 LEU 59 HB3 LEU 59 2.557 3.209 4.985 481 HG LEU 59 HG LEU 59 4.955 2.353 3.385 482 HD11 LEU 59 HD11 LEU 59 4.451 0.498 5.438 483 HD12 LEU 59 HD12 LEU 59 4.566 2.081 6.204 484 HD13 LEU 59 HD13 LEU 59 5.890 1.490 5.199 485 HD21 LEU 59 HD21 LEU 59 2.329 1.742 3.097 486 HD22 LEU 59 HD22 LEU 59 2.856 0.461 4.188 487 HD23 LEU 59 HD23 LEU 59 3.658 0.680 2.632 488 H SER 60 H SER 60 3.839 6.521 4.526 489 HA SER 60 HA SER 60 1.441 7.322 5.700 490 HB2 SER 60 HB2 SER 60 2.506 9.496 6.026 491 HB3 SER 60 HB3 SER 60 3.667 8.206 6.335 492 HG SER 60 HG SER 60 4.253 10.112 4.903 493 H ARG 61 H ARG 61 2.953 8.539 2.709 494 HA ARG 61 HA ARG 61 0.838 10.249 1.991 495 HB2 ARG 61 HB2 ARG 61 3.190 9.072 0.598 496 HB3 ARG 61 HB3 ARG 61 1.909 9.742 -0.402 497 HG2 ARG 61 HG2 ARG 61 3.684 11.365 0.035 498 HG3 ARG 61 HG3 ARG 61 2.134 11.890 0.695 499 HD2 ARG 61 HD2 ARG 61 2.825 11.086 2.912 500 HD3 ARG 61 HD3 ARG 61 4.383 10.604 2.241 501 HE ARG 61 HE ARG 61 3.545 13.261 2.944 502 HH11 ARG 61 HH11 ARG 61 5.687 11.369 0.957 503 HH12 ARG 61 HH12 ARG 61 6.855 12.637 0.780 504 HH21 ARG 61 HH21 ARG 61 5.073 14.938 2.718 505 HH22 ARG 61 HH22 ARG 61 6.505 14.667 1.783 506 H MET 62 H MET 62 1.498 6.864 1.243 507 HA MET 62 HA MET 62 -0.384 6.398 -0.725 508 HB2 MET 62 HB2 MET 62 1.335 4.781 0.185 509 HB3 MET 62 HB3 MET 62 0.227 4.471 1.515 510 HG2 MET 62 HG2 MET 62 -1.484 3.810 -0.193 511 HG3 MET 62 HG3 MET 62 -0.207 3.907 -1.402 512 HE1 MET 62 HE1 MET 62 -1.569 1.334 1.603 513 HE2 MET 62 HE2 MET 62 0.051 1.285 2.300 514 HE3 MET 62 HE3 MET 62 -0.782 2.828 2.113 515 H ASN 63 H ASN 63 -0.865 5.801 2.763 516 HA ASN 63 HA ASN 63 -3.571 5.239 2.678 517 HB2 ASN 63 HB2 ASN 63 -1.820 5.216 4.654 518 HB3 ASN 63 HB3 ASN 63 -2.491 6.811 4.982 519 HD21 ASN 63 HD21 ASN 63 -3.526 6.334 6.850 520 HD22 ASN 63 HD22 ASN 63 -4.856 5.239 6.962 521 H LEU 64 H LEU 64 -2.011 8.393 3.203 522 HA LEU 64 HA LEU 64 -4.386 9.884 3.421 523 HB2 LEU 64 HB2 LEU 64 -1.535 10.513 2.850 524 HB3 LEU 64 HB3 LEU 64 -2.745 11.757 2.547 525 HG LEU 64 HG LEU 64 -1.614 11.938 4.756 526 HD11 LEU 64 HD11 LEU 64 -3.736 12.996 4.478 527 HD12 LEU 64 HD12 LEU 64 -3.726 12.209 6.055 528 HD13 LEU 64 HD13 LEU 64 -4.589 11.470 4.707 529 HD21 LEU 64 HD21 LEU 64 -1.299 9.640 5.324 530 HD22 LEU 64 HD22 LEU 64 -3.031 9.323 5.238 531 HD23 LEU 64 HD23 LEU 64 -2.385 10.347 6.522 532 H ASP 65 H ASP 65 -2.907 8.418 0.735 533 HA ASP 65 HA ASP 65 -4.126 10.216 -1.205 534 HB2 ASP 65 HB2 ASP 65 -1.806 9.121 -1.446 535 HB3 ASP 65 HB3 ASP 65 -2.688 7.652 -1.851 536 H ILE 66 H ILE 66 -4.343 6.814 -0.213 537 HA ILE 66 HA ILE 66 -6.400 6.089 -1.995 538 HB ILE 66 HB ILE 66 -5.784 4.892 0.709 539 HG12 ILE 66 HG12 ILE 66 -4.812 4.035 -2.023 540 HG13 ILE 66 HG13 ILE 66 -3.854 4.971 -0.883 541 HG21 ILE 66 HG21 ILE 66 -7.228 3.715 -1.662 542 HG22 ILE 66 HG22 ILE 66 -6.880 2.895 -0.140 543 HG23 ILE 66 HG23 ILE 66 -7.987 4.268 -0.170 544 HD11 ILE 66 HD11 ILE 66 -3.269 2.611 -0.830 545 HD12 ILE 66 HD12 ILE 66 -3.946 3.138 0.711 546 HD13 ILE 66 HD13 ILE 66 -4.933 2.203 -0.412 547 H SER 67 H SER 67 -6.470 7.299 1.331 548 HA SER 67 HA SER 67 -9.133 6.989 1.945 549 HB2 SER 67 HB2 SER 67 -8.850 8.659 3.595 550 HB3 SER 67 HB3 SER 67 -7.245 7.959 3.389 551 HG SER 67 HG SER 67 -8.110 10.498 2.909 552 H LYS 68 H LYS 68 -7.623 9.673 0.179 553 HA LYS 68 HA LYS 68 -10.012 11.137 -0.216 554 HB2 LYS 68 HB2 LYS 68 -8.682 12.645 -1.245 555 HB3 LYS 68 HB3 LYS 68 -7.374 11.654 -0.612 556 HG2 LYS 68 HG2 LYS 68 -7.429 10.380 -2.774 557 HG3 LYS 68 HG3 LYS 68 -8.541 11.609 -3.382 558 HD2 LYS 68 HD2 LYS 68 -6.024 12.555 -2.132 559 HD3 LYS 68 HD3 LYS 68 -5.896 11.769 -3.706 560 HE2 LYS 68 HE2 LYS 68 -7.757 14.060 -3.095 561 HE3 LYS 68 HE3 LYS 68 -6.158 14.247 -3.813 562 HZ1 LYS 68 HZ1 LYS 68 -8.624 13.331 -5.012 563 HZ2 LYS 68 HZ2 LYS 68 -7.265 12.410 -5.418 564 HZ3 LYS 68 HZ3 LYS 68 -7.283 14.073 -5.726 565 H ALA 69 H ALA 69 -8.472 8.535 -1.976 566 HA ALA 69 HA ALA 69 -9.961 8.772 -4.373 567 HB1 ALA 69 HB1 ALA 69 -9.146 6.057 -3.695 568 HB2 ALA 69 HB2 ALA 69 -8.697 7.067 -5.070 569 HB3 ALA 69 HB3 ALA 69 -7.846 7.239 -3.534 570 H ILE 70 H ILE 70 -10.764 7.620 -1.253 571 HA ILE 70 HA ILE 70 -12.726 5.705 -1.894 572 HB ILE 70 HB ILE 70 -12.718 7.511 0.524 573 HG12 ILE 70 HG12 ILE 70 -11.296 4.881 0.065 574 HG13 ILE 70 HG13 ILE 70 -10.535 6.451 0.294 575 HG21 ILE 70 HG21 ILE 70 -14.050 5.890 1.583 576 HG22 ILE 70 HG22 ILE 70 -14.755 6.091 -0.021 577 HG23 ILE 70 HG23 ILE 70 -13.737 4.693 0.325 578 HD11 ILE 70 HD11 ILE 70 -11.580 6.514 2.567 579 HD12 ILE 70 HD12 ILE 70 -12.062 4.836 2.312 580 HD13 ILE 70 HD13 ILE 70 -10.353 5.270 2.334 581 H ARG 71 H ARG 71 -13.367 8.957 -0.584 582 HA ARG 71 HA ARG 71 -16.048 9.049 -1.324 583 HB2 ARG 71 HB2 ARG 71 -15.849 11.509 -1.042 584 HB3 ARG 71 HB3 ARG 71 -15.155 10.600 0.294 585 HG2 ARG 71 HG2 ARG 71 -12.943 11.035 -0.443 586 HG3 ARG 71 HG3 ARG 71 -13.518 11.687 -1.979 587 HD2 ARG 71 HD2 ARG 71 -14.532 13.566 -0.841 588 HD3 ARG 71 HD3 ARG 71 -14.085 12.892 0.726 589 HE ARG 71 HE ARG 71 -11.810 13.275 -0.942 590 HH11 ARG 71 HH11 ARG 71 -14.064 14.935 1.128 591 HH12 ARG 71 HH12 ARG 71 -12.958 16.207 1.530 592 HH21 ARG 71 HH21 ARG 71 -10.345 14.944 -0.421 593 HH22 ARG 71 HH22 ARG 71 -10.843 16.212 0.648 594 H ASN 72 H ASN 72 -13.184 9.600 -3.194 595 HA ASN 72 HA ASN 72 -14.121 11.194 -5.256 596 HB2 ASN 72 HB2 ASN 72 -11.929 9.282 -4.886 597 HB3 ASN 72 HB3 ASN 72 -12.464 9.424 -6.558 598 HD21 ASN 72 HD21 ASN 72 -12.328 11.835 -3.974 599 HD22 ASN 72 HD22 ASN 72 -11.263 12.915 -4.800 600 H ASP 73 H ASP 73 -13.694 7.689 -5.669 601 HA ASP 73 HA ASP 73 -15.978 7.690 -7.502 602 HB2 ASP 73 HB2 ASP 73 -13.652 5.836 -7.080 603 HB3 ASP 73 HB3 ASP 73 -15.085 5.294 -7.949 604 H GLY 74 H GLY 74 -16.158 7.738 -4.514 605 HA2 GLY 74 HA2 GLY 74 -17.372 6.736 -2.840 606 HA3 GLY 74 HA3 GLY 74 -18.394 6.160 -4.148 607 H VAL 75 H VAL 75 -15.053 5.376 -3.201 608 HA VAL 75 HA VAL 75 -15.543 2.569 -3.617 609 HB VAL 75 HB VAL 75 -13.088 3.799 -2.371 610 HG11 VAL 75 HG11 VAL 75 -12.984 1.480 -2.121 611 HG12 VAL 75 HG12 VAL 75 -13.712 1.183 -3.700 612 HG13 VAL 75 HG13 VAL 75 -12.059 1.788 -3.590 613 HG21 VAL 75 HG21 VAL 75 -14.053 3.857 -5.163 614 HG22 VAL 75 HG22 VAL 75 -12.983 4.969 -4.307 615 HG23 VAL 75 HG23 VAL 75 -12.355 3.441 -4.928 616 H THR 76 H THR 76 -15.241 0.922 -2.023 617 HA THR 76 HA THR 76 -15.499 1.783 0.769 618 HB THR 76 HB THR 76 -17.272 -0.356 -0.417 619 HG1 THR 76 HG1 THR 76 -17.840 1.725 -1.227 620 HG21 THR 76 HG21 THR 76 -16.621 0.431 2.253 621 HG22 THR 76 HG22 THR 76 -17.714 -0.843 1.711 622 HG23 THR 76 HG23 THR 76 -18.317 0.797 1.943 623 H LEU 77 H LEU 77 -13.880 0.862 1.830 624 HA LEU 77 HA LEU 77 -12.524 -1.462 0.856 625 HB2 LEU 77 HB2 LEU 77 -12.192 -0.368 3.621 626 HB3 LEU 77 HB3 LEU 77 -10.995 -1.131 2.577 627 HG LEU 77 HG LEU 77 -12.137 1.643 2.240 628 HD11 LEU 77 HD11 LEU 77 -10.563 2.283 3.660 629 HD12 LEU 77 HD12 LEU 77 -9.343 1.655 2.553 630 HD13 LEU 77 HD13 LEU 77 -9.989 0.625 3.829 631 HD21 LEU 77 HD21 LEU 77 -11.567 0.443 0.118 632 HD22 LEU 77 HD22 LEU 77 -9.907 0.325 0.701 633 HD23 LEU 77 HD23 LEU 77 -10.629 1.908 0.412 634 H SER 78 H SER 78 -12.797 -3.541 1.390 635 HA SER 78 HA SER 78 -15.077 -4.308 2.939 636 HB2 SER 78 HB2 SER 78 -13.020 -5.705 1.308 637 HB3 SER 78 HB3 SER 78 -13.849 -6.657 2.539 638 HG SER 78 HG SER 78 -14.741 -6.198 0.187 639 H ASP 79 H ASP 79 -14.620 -6.339 4.467 640 HA ASP 79 HA ASP 79 -13.609 -5.373 6.844 641 HB2 ASP 79 HB2 ASP 79 -15.035 -7.493 6.341 642 HB3 ASP 79 HB3 ASP 79 -13.478 -8.308 6.223 643 H TYR 80 H TYR 80 -12.006 -7.882 4.874 644 HA TYR 80 HA TYR 80 -9.579 -7.887 6.199 645 HB2 TYR 80 HB2 TYR 80 -8.630 -8.868 4.157 646 HB3 TYR 80 HB3 TYR 80 -10.199 -9.572 4.533 647 HD1 TYR 80 HD2 TYR 80 -12.200 -8.893 3.201 648 HD2 TYR 80 HD1 TYR 80 -8.260 -7.705 2.119 649 HE1 TYR 80 HE2 TYR 80 -12.992 -8.348 0.937 650 HE2 TYR 80 HE1 TYR 80 -9.041 -7.157 -0.147 651 HH TYR 80 HH TYR 80 -12.412 -7.106 -0.967 652 H GLN 81 H GLN 81 -10.694 -5.783 3.600 653 HA GLN 81 HA GLN 81 -8.265 -4.529 3.002 654 HB2 GLN 81 HB2 GLN 81 -11.081 -3.436 2.864 655 HB3 GLN 81 HB3 GLN 81 -9.674 -2.669 2.136 656 HG2 GLN 81 HG2 GLN 81 -9.386 -4.964 0.943 657 HG3 GLN 81 HG3 GLN 81 -11.089 -5.171 1.347 658 HE21 GLN 81 HE21 GLN 81 -11.253 -5.240 -1.027 659 HE22 GLN 81 HE22 GLN 81 -11.431 -3.746 -1.877 660 H SER 82 H SER 82 -10.919 -3.116 4.924 661 HA SER 82 HA SER 82 -9.530 -0.978 5.970 662 HB2 SER 82 HB2 SER 82 -12.022 -1.506 6.174 663 HB3 SER 82 HB3 SER 82 -11.590 -2.508 7.560 664 HG SER 82 HG SER 82 -10.675 0.143 7.431 665 H LYS 83 H LYS 83 -9.608 -4.312 7.081 666 HA LYS 83 HA LYS 83 -8.285 -3.902 9.545 667 HB2 LYS 83 HB2 LYS 83 -8.799 -6.267 7.785 668 HB3 LYS 83 HB3 LYS 83 -7.651 -6.423 9.109 669 HG2 LYS 83 HG2 LYS 83 -9.374 -5.761 10.697 670 HG3 LYS 83 HG3 LYS 83 -10.527 -5.570 9.375 671 HD2 LYS 83 HD2 LYS 83 -10.849 -7.797 9.163 672 HD3 LYS 83 HD3 LYS 83 -9.159 -8.177 9.502 673 HE2 LYS 83 HE2 LYS 83 -10.905 -7.157 11.697 674 HE3 LYS 83 HE3 LYS 83 -11.045 -8.841 11.195 675 HZ1 LYS 83 HZ1 LYS 83 -9.057 -7.620 12.802 676 HZ2 LYS 83 HZ2 LYS 83 -8.343 -8.344 11.451 677 HZ3 LYS 83 HZ3 LYS 83 -9.313 -9.263 12.488 678 H LYS 84 H LYS 84 -7.052 -5.089 6.416 679 HA LYS 84 HA LYS 84 -4.359 -5.237 7.148 680 HB2 LYS 84 HB2 LYS 84 -3.942 -5.713 4.949 681 HB3 LYS 84 HB3 LYS 84 -5.678 -5.994 4.974 682 HG2 LYS 84 HG2 LYS 84 -5.614 -4.673 3.152 683 HG3 LYS 84 HG3 LYS 84 -5.668 -3.389 4.361 684 HD2 LYS 84 HD2 LYS 84 -3.067 -3.626 4.308 685 HD3 LYS 84 HD3 LYS 84 -3.361 -4.375 2.737 686 HE2 LYS 84 HE2 LYS 84 -4.935 -2.141 2.620 687 HE3 LYS 84 HE3 LYS 84 -3.555 -1.572 3.559 688 HZ1 LYS 84 HZ1 LYS 84 -2.164 -1.775 1.809 689 HZ2 LYS 84 HZ2 LYS 84 -3.588 -1.574 0.920 690 HZ3 LYS 84 HZ3 LYS 84 -2.959 -3.124 1.167 691 H LEU 85 H LEU 85 -6.345 -2.518 6.530 692 HA LEU 85 HA LEU 85 -4.383 -0.677 5.661 693 HB2 LEU 85 HB2 LEU 85 -7.091 -0.628 5.974 694 HB3 LEU 85 HB3 LEU 85 -6.561 0.405 7.300 695 HG LEU 85 HG LEU 85 -5.132 1.433 5.229 696 HD11 LEU 85 HD11 LEU 85 -7.810 0.653 4.089 697 HD12 LEU 85 HD12 LEU 85 -6.269 -0.076 3.639 698 HD13 LEU 85 HD13 LEU 85 -6.568 1.629 3.305 699 HD21 LEU 85 HD21 LEU 85 -7.867 2.139 6.265 700 HD22 LEU 85 HD22 LEU 85 -6.964 3.168 5.153 701 HD23 LEU 85 HD23 LEU 85 -6.310 2.809 6.752 702 H LYS 86 H LYS 86 -5.423 -1.763 8.830 703 HA LYS 86 HA LYS 86 -4.049 0.248 10.309 704 HB2 LYS 86 HB2 LYS 86 -4.703 -0.914 12.228 705 HB3 LYS 86 HB3 LYS 86 -5.981 -1.279 11.075 706 HG2 LYS 86 HG2 LYS 86 -4.298 -3.335 10.605 707 HG3 LYS 86 HG3 LYS 86 -3.989 -3.045 12.319 708 HD2 LYS 86 HD2 LYS 86 -6.776 -3.289 11.219 709 HD3 LYS 86 HD3 LYS 86 -5.843 -4.699 11.724 710 HE2 LYS 86 HE2 LYS 86 -6.283 -2.332 13.523 711 HE3 LYS 86 HE3 LYS 86 -7.424 -3.672 13.438 712 HZ1 LYS 86 HZ1 LYS 86 -5.481 -3.652 15.174 713 HZ2 LYS 86 HZ2 LYS 86 -4.594 -4.286 13.880 714 HZ3 LYS 86 HZ3 LYS 86 -5.972 -5.094 14.437 715 H GLU 87 H GLU 87 -2.939 -2.321 8.492 716 HA GLU 87 HA GLU 87 -0.844 -3.363 10.030 717 HB2 GLU 87 HB2 GLU 87 -1.118 -3.032 7.040 718 HB3 GLU 87 HB3 GLU 87 0.190 -3.925 7.804 719 HG2 GLU 87 HG2 GLU 87 -2.585 -4.661 8.535 720 HG3 GLU 87 HG3 GLU 87 -2.010 -5.103 6.929 721 H LEU 88 H LEU 88 -0.225 -1.299 7.214 722 HA LEU 88 HA LEU 88 2.259 -0.393 8.195 723 HB2 LEU 88 HB2 LEU 88 1.936 1.385 6.365 724 HB3 LEU 88 HB3 LEU 88 2.062 -0.309 5.894 725 HG LEU 88 HG LEU 88 0.286 1.209 4.770 726 HD11 LEU 88 HD11 LEU 88 -1.250 -1.079 5.479 727 HD12 LEU 88 HD12 LEU 88 0.443 -1.554 5.343 728 HD13 LEU 88 HD13 LEU 88 -0.360 -0.759 3.989 729 HD21 LEU 88 HD21 LEU 88 -0.579 2.011 6.994 730 HD22 LEU 88 HD22 LEU 88 -1.269 0.403 7.218 731 HD23 LEU 88 HD23 LEU 88 -1.802 1.414 5.873 732 H THR 89 H THR 89 -0.837 0.431 9.125 733 HA THR 89 HA THR 89 -0.610 3.211 9.564 734 HB THR 89 HB THR 89 -2.345 1.110 10.854 735 HG1 THR 89 HG1 THR 89 -3.084 3.289 9.186 736 HG21 THR 89 HG21 THR 89 -2.156 4.055 11.416 737 HG22 THR 89 HG22 THR 89 -2.212 2.713 12.559 738 HG23 THR 89 HG23 THR 89 -3.659 3.167 11.657 739 H SER 90 H SER 90 0.114 0.407 11.597 740 HA SER 90 HA SER 90 0.849 1.989 13.871 741 HB2 SER 90 HB2 SER 90 0.081 -0.180 14.396 742 HB3 SER 90 HB3 SER 90 1.113 -0.933 13.182 743 HG SER 90 HG SER 90 2.111 -1.274 15.106 744 H ILE 91 H ILE 91 2.592 0.315 11.294 745 HA ILE 91 HA ILE 91 5.192 0.792 12.304 746 HB ILE 91 HB ILE 91 4.404 0.393 9.418 747 HG12 ILE 91 HG12 ILE 91 5.179 -1.690 11.470 748 HG13 ILE 91 HG13 ILE 91 3.530 -1.381 10.937 749 HG21 ILE 91 HG21 ILE 91 6.691 1.216 9.772 750 HG22 ILE 91 HG22 ILE 91 7.005 -0.149 10.843 751 HG23 ILE 91 HG23 ILE 91 6.671 -0.427 9.134 752 HD11 ILE 91 HD11 ILE 91 4.335 -1.904 8.600 753 HD12 ILE 91 HD12 ILE 91 5.813 -2.503 9.353 754 HD13 ILE 91 HD13 ILE 91 4.264 -3.255 9.733 755 H SER 92 H SER 92 3.237 2.487 9.865 756 HA SER 92 HA SER 92 5.194 4.510 9.399 757 HB2 SER 92 HB2 SER 92 3.486 3.895 7.719 758 HB3 SER 92 HB3 SER 92 2.230 4.536 8.776 759 HG SER 92 HG SER 92 2.975 6.564 8.453 760 H ASN 93 H ASN 93 5.352 6.558 10.210 761 HA ASN 93 HA ASN 93 4.064 7.024 12.761 762 HB2 ASN 93 HB2 ASN 93 6.130 8.627 11.235 763 HB3 ASN 93 HB3 ASN 93 5.551 9.022 12.852 764 HD21 ASN 93 HD21 ASN 93 7.996 7.635 11.220 765 HD22 ASN 93 HD22 ASN 93 8.591 6.551 12.426 766 H ILE 94 H ILE 94 1.906 7.186 11.724 767 HA ILE 94 HA ILE 94 1.328 9.497 10.117 768 HB ILE 94 HB ILE 94 -0.658 7.748 11.565 769 HG12 ILE 94 HG12 ILE 94 0.531 7.390 8.806 770 HG13 ILE 94 HG13 ILE 94 0.838 6.359 10.199 771 HG21 ILE 94 HG21 ILE 94 -2.280 8.756 10.365 772 HG22 ILE 94 HG22 ILE 94 -1.110 10.073 10.291 773 HG23 ILE 94 HG23 ILE 94 -1.256 8.947 8.941 774 HD11 ILE 94 HD11 ILE 94 -1.795 6.726 8.791 775 HD12 ILE 94 HD12 ILE 94 -0.745 5.311 8.720 776 HD13 ILE 94 HD13 ILE 94 -1.541 5.744 10.234 777 H ARG 95 H ARG 95 2.433 10.873 11.859 778 HA ARG 95 HA ARG 95 0.329 12.148 13.396 779 HB2 ARG 95 HB2 ARG 95 1.981 12.220 15.406 780 HB3 ARG 95 HB3 ARG 95 0.989 10.790 15.155 781 HG2 ARG 95 HG2 ARG 95 2.879 9.678 14.064 782 HG3 ARG 95 HG3 ARG 95 3.872 11.110 14.348 783 HD2 ARG 95 HD2 ARG 95 3.656 10.836 16.736 784 HD3 ARG 95 HD3 ARG 95 2.539 9.490 16.513 785 HE ARG 95 HE ARG 95 4.814 8.737 15.195 786 HH11 ARG 95 HH11 ARG 95 4.040 9.725 18.441 787 HH12 ARG 95 HH12 ARG 95 5.293 8.775 19.169 788 HH21 ARG 95 HH21 ARG 95 6.468 7.483 16.140 789 HH22 ARG 95 HH22 ARG 95 6.674 7.501 17.859 790 H TYR 96 H TYR 96 0.510 14.069 12.383 791 HA TYR 96 HA TYR 96 3.162 15.355 12.381 792 HB2 TYR 96 HB2 TYR 96 2.284 16.709 10.450 793 HB3 TYR 96 HB3 TYR 96 2.508 14.997 10.109 794 HD1 TYR 96 HD1 TYR 96 -0.087 17.492 11.054 795 HD2 TYR 96 HD2 TYR 96 0.743 13.728 9.252 796 HE1 TYR 96 HE1 TYR 96 -2.424 17.345 10.300 797 HE2 TYR 96 HE2 TYR 96 -1.590 13.571 8.492 798 HH TYR 96 HH TYR 96 -3.948 14.798 9.526 799 H GLY 97 H GLY 97 2.716 17.898 12.030 800 HA2 GLY 97 HA2 GLY 97 0.832 19.493 12.807 801 HA3 GLY 97 HA3 GLY 97 1.045 18.646 14.332 802 H TYR 98 H TYR 98 3.245 20.040 11.894 803 HA TYR 98 HA TYR 98 4.918 21.083 14.033 804 HB2 TYR 98 HB2 TYR 98 5.365 21.371 11.062 805 HB3 TYR 98 HB3 TYR 98 6.556 21.514 12.351 806 HD1 TYR 98 HD1 TYR 98 6.322 19.206 13.960 807 HD2 TYR 98 HD2 TYR 98 5.767 19.522 9.754 808 HE1 TYR 98 HE1 TYR 98 6.879 16.823 13.713 809 HE2 TYR 98 HE2 TYR 98 6.321 17.140 9.495 810 HH TYR 98 HH TYR 98 6.955 15.276 10.516 Start of MODEL 8 1 H1 MET 1 H MET 1 3.270 -18.520 9.376 2 HA MET 1 HA MET 1 0.663 -19.332 8.782 3 HB2 MET 1 HB2 MET 1 2.561 -20.256 10.941 4 HB3 MET 1 HB3 MET 1 1.045 -21.063 10.567 5 HG2 MET 1 HG2 MET 1 2.999 -20.591 8.375 6 HG3 MET 1 HG3 MET 1 3.309 -21.879 9.538 7 HE1 MET 1 HE1 MET 1 1.442 -24.726 8.355 8 HE2 MET 1 HE2 MET 1 2.736 -23.984 9.296 9 HE3 MET 1 HE3 MET 1 1.080 -23.961 9.903 10 H GLY 2 H GLY 2 -1.214 -18.612 9.533 11 HA2 GLY 2 HA2 GLY 2 -2.822 -17.828 10.975 12 HA3 GLY 2 HA3 GLY 2 -1.767 -18.310 12.295 13 H LYS 3 H LYS 3 -3.171 -16.126 12.759 14 HA LYS 3 HA LYS 3 -1.249 -13.926 12.372 15 HB2 LYS 3 HB2 LYS 3 -4.231 -13.959 12.160 16 HB3 LYS 3 HB3 LYS 3 -3.438 -12.500 12.738 17 HG2 LYS 3 HG2 LYS 3 -2.699 -13.846 10.155 18 HG3 LYS 3 HG3 LYS 3 -3.935 -12.590 10.273 19 HD2 LYS 3 HD2 LYS 3 -1.302 -12.010 11.503 20 HD3 LYS 3 HD3 LYS 3 -1.370 -12.055 9.740 21 HE2 LYS 3 HE2 LYS 3 -1.841 -9.839 10.174 22 HE3 LYS 3 HE3 LYS 3 -3.457 -10.532 10.055 23 HZ1 LYS 3 HZ1 LYS 3 -3.843 -10.243 12.247 24 HZ2 LYS 3 HZ2 LYS 3 -2.703 -9.007 12.070 25 HZ3 LYS 3 HZ3 LYS 3 -2.234 -10.505 12.700 26 H LEU 4 H LEU 4 -1.570 -15.938 14.544 27 HA LEU 4 HA LEU 4 -2.731 -14.740 16.816 28 HB2 LEU 4 HB2 LEU 4 -0.582 -16.824 16.514 29 HB3 LEU 4 HB3 LEU 4 -1.230 -16.329 18.077 30 HG LEU 4 HG LEU 4 -3.523 -16.987 16.922 31 HD11 LEU 4 HD11 LEU 4 -2.774 -17.563 14.767 32 HD12 LEU 4 HD12 LEU 4 -3.086 -19.094 15.583 33 HD13 LEU 4 HD13 LEU 4 -1.431 -18.515 15.400 34 HD21 LEU 4 HD21 LEU 4 -2.663 -19.475 17.678 35 HD22 LEU 4 HD22 LEU 4 -3.289 -18.234 18.763 36 HD23 LEU 4 HD23 LEU 4 -1.549 -18.409 18.535 37 H LYS 5 H LYS 5 -1.499 -14.055 18.769 38 HA LYS 5 HA LYS 5 -0.056 -12.655 19.836 39 HB2 LYS 5 HB2 LYS 5 1.566 -14.170 18.053 40 HB3 LYS 5 HB3 LYS 5 2.146 -12.509 18.029 41 HG2 LYS 5 HG2 LYS 5 2.140 -12.640 20.570 42 HG3 LYS 5 HG3 LYS 5 1.947 -14.383 20.363 43 HD2 LYS 5 HD2 LYS 5 4.002 -13.915 18.675 44 HD3 LYS 5 HD3 LYS 5 4.291 -12.659 19.881 45 HE2 LYS 5 HE2 LYS 5 4.614 -14.190 21.585 46 HE3 LYS 5 HE3 LYS 5 3.715 -15.460 20.755 47 HZ1 LYS 5 HZ1 LYS 5 5.650 -16.245 20.061 48 HZ2 LYS 5 HZ2 LYS 5 6.492 -14.926 20.704 49 HZ3 LYS 5 HZ3 LYS 5 5.869 -14.846 19.135 50 H TRP 6 H TRP 6 -1.729 -11.901 17.311 51 HA TRP 6 HA TRP 6 -2.175 -10.041 16.068 52 HB2 TRP 6 HB2 TRP 6 -1.083 -8.924 18.636 53 HB3 TRP 6 HB3 TRP 6 -1.594 -7.852 17.335 54 HD1 TRP 6 HD1 TRP 6 -2.916 -9.240 20.377 55 HE1 TRP 6 HE1 TRP 6 -5.489 -9.311 20.370 56 HE3 TRP 6 HE3 TRP 6 -3.735 -8.541 15.379 57 HZ2 TRP 6 HZ2 TRP 6 -7.588 -9.100 18.495 58 HZ3 TRP 6 HZ3 TRP 6 -6.055 -8.489 14.560 59 HH2 TRP 6 HH2 TRP 6 -7.940 -8.764 16.087 60 H PHE 7 H PHE 7 0.240 -11.319 15.376 61 HA PHE 7 HA PHE 7 2.150 -11.016 14.177 62 HB2 PHE 7 HB2 PHE 7 0.481 -9.699 12.808 63 HB3 PHE 7 HB3 PHE 7 1.079 -8.250 13.608 64 HD1 PHE 7 HD1 PHE 7 2.640 -11.248 12.018 65 HD2 PHE 7 HD2 PHE 7 2.465 -7.003 12.286 66 HE1 PHE 7 HE1 PHE 7 4.434 -11.071 10.343 67 HE2 PHE 7 HE2 PHE 7 4.258 -6.820 10.611 68 HZ PHE 7 HZ PHE 7 5.244 -8.855 9.637 69 H SER 8 H SER 8 2.656 -10.723 16.775 70 HA SER 8 HA SER 8 3.786 -8.233 17.527 71 HB2 SER 8 HB2 SER 8 3.060 -9.899 19.185 72 HB3 SER 8 HB3 SER 8 4.322 -11.002 18.635 73 HG SER 8 HG SER 8 5.055 -9.895 20.440 74 H GLY 9 H GLY 9 5.044 -11.085 15.925 75 HA2 GLY 9 HA2 GLY 9 7.792 -10.190 16.105 76 HA3 GLY 9 HA3 GLY 9 7.210 -11.614 15.256 77 H GLY 10 H GLY 10 8.688 -10.969 13.552 78 HA2 GLY 10 HA2 GLY 10 8.709 -10.304 11.307 79 HA3 GLY 10 HA3 GLY 10 7.336 -9.255 11.629 80 H LYS 11 H LYS 11 10.812 -9.556 11.735 81 HA LYS 11 HA LYS 11 11.272 -6.933 12.796 82 HB2 LYS 11 HB2 LYS 11 13.637 -7.365 12.119 83 HB3 LYS 11 HB3 LYS 11 12.952 -8.610 13.156 84 HG2 LYS 11 HG2 LYS 11 12.632 -10.072 11.271 85 HG3 LYS 11 HG3 LYS 11 13.164 -8.809 10.159 86 HD2 LYS 11 HD2 LYS 11 15.024 -9.517 12.348 87 HD3 LYS 11 HD3 LYS 11 14.791 -10.729 11.086 88 HE2 LYS 11 HE2 LYS 11 15.271 -8.925 9.407 89 HE3 LYS 11 HE3 LYS 11 15.723 -7.883 10.756 90 HZ1 LYS 11 HZ1 LYS 11 17.739 -8.752 10.203 91 HZ2 LYS 11 HZ2 LYS 11 17.105 -10.227 9.673 92 HZ3 LYS 11 HZ3 LYS 11 17.247 -9.915 11.329 93 H GLU 12 H GLU 12 11.106 -8.370 9.591 94 HA GLU 12 HA GLU 12 12.092 -6.112 8.180 95 HB2 GLU 12 HB2 GLU 12 11.003 -7.223 6.197 96 HB3 GLU 12 HB3 GLU 12 12.159 -8.217 7.072 97 HG2 GLU 12 HG2 GLU 12 10.625 -9.739 7.595 98 HG3 GLU 12 HG3 GLU 12 9.441 -8.517 8.057 99 H ARG 13 H ARG 13 10.972 -4.325 9.053 100 HA ARG 13 HA ARG 13 8.111 -4.156 8.911 101 HB2 ARG 13 HB2 ARG 13 10.153 -1.968 9.348 102 HB3 ARG 13 HB3 ARG 13 8.422 -1.838 9.631 103 HG2 ARG 13 HG2 ARG 13 8.788 -3.825 11.251 104 HG3 ARG 13 HG3 ARG 13 10.483 -3.338 11.185 105 HD2 ARG 13 HD2 ARG 13 9.664 -0.995 11.748 106 HD3 ARG 13 HD3 ARG 13 8.117 -1.747 12.137 107 HE ARG 13 HE ARG 13 9.850 -3.189 13.605 108 HH11 ARG 13 HH11 ARG 13 9.368 0.238 13.233 109 HH12 ARG 13 HH12 ARG 13 9.892 0.618 14.839 110 HH21 ARG 13 HH21 ARG 13 10.542 -2.702 15.722 111 HH22 ARG 13 HH22 ARG 13 10.560 -1.054 16.254 112 H SER 14 H SER 14 10.820 -3.003 6.975 113 HA SER 14 HA SER 14 9.341 -1.331 5.249 114 HB2 SER 14 HB2 SER 14 11.323 -1.651 3.698 115 HB3 SER 14 HB3 SER 14 11.714 -1.059 5.313 116 HG SER 14 HG SER 14 12.754 -2.850 5.719 117 H ASN 15 H ASN 15 10.534 -4.658 4.780 118 HA ASN 15 HA ASN 15 9.199 -5.033 2.308 119 HB2 ASN 15 HB2 ASN 15 10.615 -6.802 4.254 120 HB3 ASN 15 HB3 ASN 15 9.593 -7.552 3.031 121 HD21 ASN 15 HD21 ASN 15 12.112 -5.075 3.331 122 HD22 ASN 15 HD22 ASN 15 12.938 -5.496 1.872 123 H GLN 16 H GLN 16 8.128 -5.079 5.541 124 HA GLN 16 HA GLN 16 6.074 -6.973 5.462 125 HB2 GLN 16 HB2 GLN 16 7.005 -5.038 7.274 126 HB3 GLN 16 HB3 GLN 16 5.307 -4.663 7.012 127 HG2 GLN 16 HG2 GLN 16 4.592 -6.523 8.058 128 HG3 GLN 16 HG3 GLN 16 5.938 -7.501 7.476 129 HE21 GLN 16 HE21 GLN 16 7.397 -8.068 8.917 130 HE22 GLN 16 HE22 GLN 16 7.678 -7.300 10.439 131 H ALA 17 H ALA 17 5.625 -3.440 5.244 132 HA ALA 17 HA ALA 17 3.011 -3.437 4.377 133 HB1 ALA 17 HB1 ALA 17 4.337 -1.444 5.074 134 HB2 ALA 17 HB2 ALA 17 5.103 -1.460 3.486 135 HB3 ALA 17 HB3 ALA 17 3.365 -1.195 3.623 136 H GLU 18 H GLU 18 5.961 -3.746 2.454 137 HA GLU 18 HA GLU 18 4.896 -3.503 -0.094 138 HB2 GLU 18 HB2 GLU 18 7.246 -4.941 1.052 139 HB3 GLU 18 HB3 GLU 18 6.790 -5.285 -0.611 140 HG2 GLU 18 HG2 GLU 18 7.048 -2.971 -1.212 141 HG3 GLU 18 HG3 GLU 18 7.363 -2.535 0.466 142 H ASN 19 H ASN 19 5.280 -6.459 1.853 143 HA ASN 19 HA ASN 19 4.074 -8.186 -0.027 144 HB2 ASN 19 HB2 ASN 19 4.658 -8.377 2.913 145 HB3 ASN 19 HB3 ASN 19 3.728 -9.637 2.107 146 HD21 ASN 19 HD21 ASN 19 6.556 -9.303 3.292 147 HD22 ASN 19 HD22 ASN 19 7.566 -10.034 2.096 148 H ILE 20 H ILE 20 2.795 -6.316 2.672 149 HA ILE 20 HA ILE 20 0.226 -7.414 2.783 150 HB ILE 20 HB ILE 20 1.062 -4.568 3.353 151 HG12 ILE 20 HG12 ILE 20 0.598 -6.754 5.369 152 HG13 ILE 20 HG13 ILE 20 2.172 -6.529 4.612 153 HG21 ILE 20 HG21 ILE 20 -1.076 -4.124 3.738 154 HG22 ILE 20 HG22 ILE 20 -1.515 -5.767 3.276 155 HG23 ILE 20 HG23 ILE 20 -1.118 -5.401 4.954 156 HD11 ILE 20 HD11 ILE 20 2.644 -4.738 5.858 157 HD12 ILE 20 HD12 ILE 20 1.009 -4.088 5.726 158 HD13 ILE 20 HD13 ILE 20 1.365 -5.345 6.911 159 H ILE 21 H ILE 21 1.249 -4.414 1.138 160 HA ILE 21 HA ILE 21 -1.116 -3.792 -0.126 161 HB ILE 21 HB ILE 21 1.668 -3.432 -1.245 162 HG12 ILE 21 HG12 ILE 21 -0.031 -1.474 0.311 163 HG13 ILE 21 HG13 ILE 21 1.231 -2.463 1.037 164 HG21 ILE 21 HG21 ILE 21 -0.913 -2.852 -2.346 165 HG22 ILE 21 HG22 ILE 21 -0.038 -1.350 -2.050 166 HG23 ILE 21 HG23 ILE 21 0.684 -2.607 -3.055 167 HD11 ILE 21 HD11 ILE 21 1.576 -0.341 -1.064 168 HD12 ILE 21 HD12 ILE 21 2.101 -0.280 0.619 169 HD13 ILE 21 HD13 ILE 21 2.862 -1.409 -0.502 170 H THR 22 H THR 22 1.438 -5.982 -1.236 171 HA THR 22 HA THR 22 0.430 -6.557 -3.770 172 HB THR 22 HB THR 22 1.934 -8.434 -1.935 173 HG1 THR 22 HG1 THR 22 3.690 -7.377 -2.529 174 HG21 THR 22 HG21 THR 22 2.736 -9.266 -4.262 175 HG22 THR 22 HG22 THR 22 1.260 -8.505 -4.854 176 HG23 THR 22 HG23 THR 22 1.168 -9.795 -3.655 177 H ASP 23 H ASP 23 -0.510 -7.745 -0.623 178 HA ASP 23 HA ASP 23 -1.931 -10.031 -1.355 179 HB2 ASP 23 HB2 ASP 23 -1.387 -9.315 0.987 180 HB3 ASP 23 HB3 ASP 23 -2.674 -8.119 0.866 181 H LEU 24 H LEU 24 -3.455 -6.928 -0.480 182 HA LEU 24 HA LEU 24 -5.968 -7.435 -1.459 183 HB2 LEU 24 HB2 LEU 24 -4.438 -4.844 -1.363 184 HB3 LEU 24 HB3 LEU 24 -6.151 -4.943 -1.763 185 HG LEU 24 HG LEU 24 -4.851 -5.641 0.867 186 HD11 LEU 24 HD11 LEU 24 -5.080 -3.314 0.741 187 HD12 LEU 24 HD12 LEU 24 -6.506 -3.855 1.626 188 HD13 LEU 24 HD13 LEU 24 -6.638 -3.422 -0.078 189 HD21 LEU 24 HD21 LEU 24 -7.169 -6.067 1.639 190 HD22 LEU 24 HD22 LEU 24 -6.596 -7.244 0.457 191 HD23 LEU 24 HD23 LEU 24 -7.709 -5.967 -0.037 192 H LEU 25 H LEU 25 -3.112 -6.413 -3.226 193 HA LEU 25 HA LEU 25 -4.265 -5.642 -5.634 194 HB2 LEU 25 HB2 LEU 25 -1.644 -6.450 -4.694 195 HB3 LEU 25 HB3 LEU 25 -1.936 -6.968 -6.352 196 HG LEU 25 HG LEU 25 -0.763 -4.786 -6.157 197 HD11 LEU 25 HD11 LEU 25 -2.695 -3.582 -7.575 198 HD12 LEU 25 HD12 LEU 25 -3.284 -5.243 -7.619 199 HD13 LEU 25 HD13 LEU 25 -1.670 -4.863 -8.221 200 HD21 LEU 25 HD21 LEU 25 -2.585 -4.261 -4.176 201 HD22 LEU 25 HD22 LEU 25 -3.196 -3.305 -5.526 202 HD23 LEU 25 HD23 LEU 25 -1.543 -3.071 -4.956 203 H ASP 26 H ASP 26 -3.421 -8.864 -4.457 204 HA ASP 26 HA ASP 26 -3.917 -10.284 -6.826 205 HB2 ASP 26 HB2 ASP 26 -2.764 -11.179 -4.783 206 HB3 ASP 26 HB3 ASP 26 -4.342 -11.295 -4.009 207 H ASP 27 H ASP 27 -6.041 -9.933 -3.979 208 HA ASP 27 HA ASP 27 -8.300 -11.103 -5.149 209 HB2 ASP 27 HB2 ASP 27 -7.908 -9.215 -2.845 210 HB3 ASP 27 HB3 ASP 27 -9.530 -9.671 -3.362 211 H LEU 28 H LEU 28 -6.993 -7.889 -5.376 212 HA LEU 28 HA LEU 28 -9.338 -6.614 -6.357 213 HB2 LEU 28 HB2 LEU 28 -6.493 -5.949 -6.041 214 HB3 LEU 28 HB3 LEU 28 -7.311 -5.114 -7.360 215 HG LEU 28 HG LEU 28 -8.317 -5.090 -4.521 216 HD11 LEU 28 HD11 LEU 28 -6.705 -3.673 -3.972 217 HD12 LEU 28 HD12 LEU 28 -7.243 -2.585 -5.251 218 HD13 LEU 28 HD13 LEU 28 -6.010 -3.800 -5.588 219 HD21 LEU 28 HD21 LEU 28 -8.871 -2.931 -6.461 220 HD22 LEU 28 HD22 LEU 28 -9.907 -3.642 -5.224 221 HD23 LEU 28 HD23 LEU 28 -9.659 -4.481 -6.756 222 H LYS 29 H LYS 29 -7.139 -8.794 -7.743 223 HA LYS 29 HA LYS 29 -6.917 -8.048 -10.378 224 HB2 LYS 29 HB2 LYS 29 -5.931 -10.091 -9.262 225 HB3 LYS 29 HB3 LYS 29 -7.491 -10.873 -9.481 226 HG2 LYS 29 HG2 LYS 29 -7.295 -10.645 -11.890 227 HG3 LYS 29 HG3 LYS 29 -5.760 -9.795 -11.698 228 HD2 LYS 29 HD2 LYS 29 -5.398 -12.137 -12.280 229 HD3 LYS 29 HD3 LYS 29 -4.787 -11.787 -10.662 230 HE2 LYS 29 HE2 LYS 29 -6.030 -13.932 -10.823 231 HE3 LYS 29 HE3 LYS 29 -6.710 -12.803 -9.651 232 HZ1 LYS 29 HZ1 LYS 29 -8.219 -14.048 -11.372 233 HZ2 LYS 29 HZ2 LYS 29 -7.767 -12.770 -12.382 234 HZ3 LYS 29 HZ3 LYS 29 -8.553 -12.453 -10.918 235 H THR 30 H THR 30 -8.304 -7.686 -11.977 236 HA THR 30 HA THR 30 -10.300 -7.419 -13.061 237 HB THR 30 HB THR 30 -11.610 -9.631 -13.275 238 HG1 THR 30 HG1 THR 30 -10.039 -11.419 -12.714 239 HG21 THR 30 HG21 THR 30 -9.635 -8.610 -14.726 240 HG22 THR 30 HG22 THR 30 -10.293 -10.214 -15.052 241 HG23 THR 30 HG23 THR 30 -8.795 -10.044 -14.138 242 H ASP 31 H ASP 31 -10.350 -6.736 -10.254 243 HA ASP 31 HA ASP 31 -12.762 -7.709 -9.077 244 HB2 ASP 31 HB2 ASP 31 -10.853 -6.788 -7.766 245 HB3 ASP 31 HB3 ASP 31 -11.226 -5.191 -8.409 246 H LEU 32 H LEU 32 -14.581 -6.250 -8.478 247 HA LEU 32 HA LEU 32 -15.409 -4.738 -10.839 248 HB2 LEU 32 HB2 LEU 32 -17.652 -4.775 -9.619 249 HB3 LEU 32 HB3 LEU 32 -17.040 -6.294 -10.270 250 HG LEU 32 HG LEU 32 -16.424 -5.696 -7.432 251 HD11 LEU 32 HD11 LEU 32 -18.507 -5.833 -6.605 252 HD12 LEU 32 HD12 LEU 32 -19.045 -6.955 -7.854 253 HD13 LEU 32 HD13 LEU 32 -18.978 -5.226 -8.194 254 HD21 LEU 32 HD21 LEU 32 -17.559 -8.264 -8.325 255 HD22 LEU 32 HD22 LEU 32 -16.174 -7.932 -7.285 256 HD23 LEU 32 HD23 LEU 32 -16.009 -7.820 -9.038 257 H ASP 33 H ASP 33 -13.558 -3.802 -8.616 258 HA ASP 33 HA ASP 33 -14.668 -1.149 -8.425 259 HB2 ASP 33 HB2 ASP 33 -15.452 -2.719 -6.408 260 HB3 ASP 33 HB3 ASP 33 -13.879 -2.246 -5.776 261 H ASN 34 H ASN 34 -13.127 0.426 -7.767 262 HA ASN 34 HA ASN 34 -11.051 1.361 -7.872 263 HB2 ASN 34 HB2 ASN 34 -10.685 -1.022 -6.090 264 HB3 ASN 34 HB3 ASN 34 -9.288 -0.043 -6.529 265 HD21 ASN 34 HD21 ASN 34 -9.754 -0.121 -3.970 266 HD22 ASN 34 HD22 ASN 34 -10.503 1.323 -3.388 267 H GLU 35 H GLU 35 -11.556 0.286 -10.228 268 HA GLU 35 HA GLU 35 -9.667 -1.693 -11.054 269 HB2 GLU 35 HB2 GLU 35 -10.425 -1.136 -13.339 270 HB3 GLU 35 HB3 GLU 35 -11.764 -1.453 -12.245 271 HG2 GLU 35 HG2 GLU 35 -12.080 0.977 -11.974 272 HG3 GLU 35 HG3 GLU 35 -10.794 1.248 -13.149 273 H SER 36 H SER 36 -9.702 1.784 -10.880 274 HA SER 36 HA SER 36 -7.091 1.884 -12.237 275 HB2 SER 36 HB2 SER 36 -8.990 4.174 -11.680 276 HB3 SER 36 HB3 SER 36 -7.517 4.241 -12.646 277 HG SER 36 HG SER 36 -8.479 3.097 -14.224 278 H LEU 37 H LEU 37 -8.726 2.349 -9.245 279 HA LEU 37 HA LEU 37 -7.015 4.126 -7.938 280 HB2 LEU 37 HB2 LEU 37 -9.188 3.381 -7.066 281 HB3 LEU 37 HB3 LEU 37 -8.510 1.783 -6.768 282 HG LEU 37 HG LEU 37 -8.772 3.393 -4.785 283 HD11 LEU 37 HD11 LEU 37 -7.010 1.329 -5.340 284 HD12 LEU 37 HD12 LEU 37 -7.378 2.003 -3.753 285 HD13 LEU 37 HD13 LEU 37 -5.992 2.600 -4.665 286 HD21 LEU 37 HD21 LEU 37 -7.790 5.342 -5.952 287 HD22 LEU 37 HD22 LEU 37 -6.234 4.513 -5.966 288 HD23 LEU 37 HD23 LEU 37 -6.980 4.964 -4.432 289 H LYS 38 H LYS 38 -6.686 0.719 -8.631 290 HA LYS 38 HA LYS 38 -4.742 -0.069 -6.846 291 HB2 LYS 38 HB2 LYS 38 -4.841 -0.818 -9.774 292 HB3 LYS 38 HB3 LYS 38 -4.076 -1.737 -8.485 293 HG2 LYS 38 HG2 LYS 38 -5.988 -2.717 -7.910 294 HG3 LYS 38 HG3 LYS 38 -6.880 -1.196 -7.953 295 HD2 LYS 38 HD2 LYS 38 -7.383 -1.410 -10.213 296 HD3 LYS 38 HD3 LYS 38 -6.069 -2.553 -10.497 297 HE2 LYS 38 HE2 LYS 38 -7.276 -4.231 -9.154 298 HE3 LYS 38 HE3 LYS 38 -8.603 -3.088 -8.948 299 HZ1 LYS 38 HZ1 LYS 38 -9.429 -3.713 -10.888 300 HZ2 LYS 38 HZ2 LYS 38 -8.211 -4.876 -11.036 301 HZ3 LYS 38 HZ3 LYS 38 -7.987 -3.330 -11.686 302 H LYS 39 H LYS 39 -4.458 2.068 -9.569 303 HA LYS 39 HA LYS 39 -1.749 1.985 -10.113 304 HB2 LYS 39 HB2 LYS 39 -1.986 4.114 -11.101 305 HB3 LYS 39 HB3 LYS 39 -3.561 3.351 -11.273 306 HG2 LYS 39 HG2 LYS 39 -4.396 4.613 -9.366 307 HG3 LYS 39 HG3 LYS 39 -2.811 5.362 -9.159 308 HD2 LYS 39 HD2 LYS 39 -4.227 6.902 -10.333 309 HD3 LYS 39 HD3 LYS 39 -3.019 6.286 -11.464 310 HE2 LYS 39 HE2 LYS 39 -4.686 4.655 -12.288 311 HE3 LYS 39 HE3 LYS 39 -5.884 5.373 -11.213 312 HZ1 LYS 39 HZ1 LYS 39 -5.149 6.194 -13.787 313 HZ2 LYS 39 HZ2 LYS 39 -4.718 7.425 -12.711 314 HZ3 LYS 39 HZ3 LYS 39 -6.315 6.870 -12.765 315 H VAL 40 H VAL 40 -3.440 3.564 -7.466 316 HA VAL 40 HA VAL 40 -1.239 5.063 -6.497 317 HB VAL 40 HB VAL 40 -3.772 4.117 -5.162 318 HG11 VAL 40 HG11 VAL 40 -2.115 4.295 -3.426 319 HG12 VAL 40 HG12 VAL 40 -1.589 5.866 -4.033 320 HG13 VAL 40 HG13 VAL 40 -3.195 5.684 -3.328 321 HG21 VAL 40 HG21 VAL 40 -3.424 6.063 -7.005 322 HG22 VAL 40 HG22 VAL 40 -4.682 6.088 -5.770 323 HG23 VAL 40 HG23 VAL 40 -3.181 6.979 -5.518 324 H LEU 41 H LEU 41 -2.702 2.043 -5.277 325 HA LEU 41 HA LEU 41 -0.774 1.509 -3.329 326 HB2 LEU 41 HB2 LEU 41 -2.526 -0.366 -4.906 327 HB3 LEU 41 HB3 LEU 41 -1.558 -0.856 -3.518 328 HG LEU 41 HG LEU 41 -3.411 1.388 -3.046 329 HD11 LEU 41 HD11 LEU 41 -5.387 0.061 -2.952 330 HD12 LEU 41 HD12 LEU 41 -4.494 -1.403 -3.360 331 HD13 LEU 41 HD13 LEU 41 -4.694 -0.129 -4.563 332 HD21 LEU 41 HD21 LEU 41 -2.697 -1.152 -1.588 333 HD22 LEU 41 HD22 LEU 41 -3.814 0.071 -0.982 334 HD23 LEU 41 HD23 LEU 41 -2.116 0.475 -1.238 335 H GLU 42 H GLU 42 -1.017 0.256 -6.655 336 HA GLU 42 HA GLU 42 1.284 -1.308 -6.646 337 HB2 GLU 42 HB2 GLU 42 -0.198 0.127 -8.829 338 HB3 GLU 42 HB3 GLU 42 1.277 -0.763 -9.180 339 HG2 GLU 42 HG2 GLU 42 -0.109 -2.607 -7.763 340 HG3 GLU 42 HG3 GLU 42 -1.418 -1.738 -8.561 341 H ASN 43 H ASN 43 0.910 2.067 -7.728 342 HA ASN 43 HA ASN 43 3.560 2.544 -8.421 343 HB2 ASN 43 HB2 ASN 43 1.643 4.064 -8.908 344 HB3 ASN 43 HB3 ASN 43 1.635 4.543 -7.213 345 HD21 ASN 43 HD21 ASN 43 2.467 5.617 -10.089 346 HD22 ASN 43 HD22 ASN 43 3.865 6.559 -9.709 347 H TYR 44 H TYR 44 2.009 3.664 -5.408 348 HA TYR 44 HA TYR 44 4.287 4.430 -4.063 349 HB2 TYR 44 HB2 TYR 44 1.618 3.425 -3.142 350 HB3 TYR 44 HB3 TYR 44 2.888 3.727 -1.961 351 HD1 TYR 44 HD1 TYR 44 4.151 6.119 -2.552 352 HD2 TYR 44 HD2 TYR 44 0.083 5.126 -3.312 353 HE1 TYR 44 HE1 TYR 44 3.571 8.509 -2.537 354 HE2 TYR 44 HE2 TYR 44 -0.508 7.514 -3.299 355 HH TYR 44 HH TYR 44 1.502 9.908 -3.707 356 H LEU 45 H LEU 45 2.872 1.213 -4.333 357 HA LEU 45 HA LEU 45 4.404 -0.123 -2.431 358 HB2 LEU 45 HB2 LEU 45 2.608 -1.307 -3.330 359 HB3 LEU 45 HB3 LEU 45 3.104 -0.978 -4.989 360 HG LEU 45 HG LEU 45 4.959 -2.552 -4.750 361 HD11 LEU 45 HD11 LEU 45 4.304 -2.307 -1.957 362 HD12 LEU 45 HD12 LEU 45 5.734 -3.001 -2.720 363 HD13 LEU 45 HD13 LEU 45 4.305 -3.998 -2.458 364 HD21 LEU 45 HD21 LEU 45 2.152 -3.418 -4.234 365 HD22 LEU 45 HD22 LEU 45 3.441 -4.623 -4.238 366 HD23 LEU 45 HD23 LEU 45 3.153 -3.634 -5.671 367 H GLU 46 H GLU 46 5.129 0.686 -5.787 368 HA GLU 46 HA GLU 46 7.540 -0.794 -5.954 369 HB2 GLU 46 HB2 GLU 46 7.702 0.024 -8.071 370 HB3 GLU 46 HB3 GLU 46 6.015 0.430 -7.784 371 HG2 GLU 46 HG2 GLU 46 7.017 2.671 -6.888 372 HG3 GLU 46 HG3 GLU 46 8.403 2.202 -7.872 373 H GLU 47 H GLU 47 6.729 2.269 -4.581 374 HA GLU 47 HA GLU 47 9.263 3.499 -4.642 375 HB2 GLU 47 HB2 GLU 47 7.128 3.852 -2.534 376 HB3 GLU 47 HB3 GLU 47 8.408 4.986 -2.941 377 HG2 GLU 47 HG2 GLU 47 6.348 4.147 -4.948 378 HG3 GLU 47 HG3 GLU 47 6.065 5.468 -3.816 379 H LEU 48 H LEU 48 7.712 1.391 -2.257 380 HA LEU 48 HA LEU 48 9.555 1.516 -0.208 381 HB2 LEU 48 HB2 LEU 48 7.953 -0.830 -1.206 382 HB3 LEU 48 HB3 LEU 48 8.864 -0.839 0.303 383 HG LEU 48 HG LEU 48 7.091 1.428 0.222 384 HD11 LEU 48 HD11 LEU 48 5.490 -1.052 0.329 385 HD12 LEU 48 HD12 LEU 48 5.985 -0.498 -1.270 386 HD13 LEU 48 HD13 LEU 48 5.050 0.566 -0.220 387 HD21 LEU 48 HD21 LEU 48 7.284 -1.023 1.970 388 HD22 LEU 48 HD22 LEU 48 6.289 0.391 2.320 389 HD23 LEU 48 HD23 LEU 48 8.046 0.543 2.253 390 H LYS 49 H LYS 49 9.786 -0.123 -3.280 391 HA LYS 49 HA LYS 49 12.173 -1.581 -2.527 392 HB2 LYS 49 HB2 LYS 49 10.801 -1.270 -5.204 393 HB3 LYS 49 HB3 LYS 49 12.159 -2.343 -4.883 394 HG2 LYS 49 HG2 LYS 49 10.449 -3.823 -4.683 395 HG3 LYS 49 HG3 LYS 49 10.537 -3.260 -3.012 396 HD2 LYS 49 HD2 LYS 49 8.445 -2.514 -3.123 397 HD3 LYS 49 HD3 LYS 49 8.854 -1.499 -4.508 398 HE2 LYS 49 HE2 LYS 49 8.090 -4.416 -4.630 399 HE3 LYS 49 HE3 LYS 49 7.024 -3.062 -5.007 400 HZ1 LYS 49 HZ1 LYS 49 7.957 -4.018 -7.010 401 HZ2 LYS 49 HZ2 LYS 49 9.529 -3.753 -6.446 402 HZ3 LYS 49 HZ3 LYS 49 8.525 -2.437 -6.802 403 H GLN 50 H GLN 50 11.311 1.313 -4.308 404 HA GLN 50 HA GLN 50 13.955 1.740 -5.347 405 HB2 GLN 50 HB2 GLN 50 11.565 3.583 -5.179 406 HB3 GLN 50 HB3 GLN 50 13.056 3.952 -6.035 407 HG2 GLN 50 HG2 GLN 50 11.530 1.475 -6.699 408 HG3 GLN 50 HG3 GLN 50 11.009 3.036 -7.332 409 HE21 GLN 50 HE21 GLN 50 11.554 1.492 -9.262 410 HE22 GLN 50 HE22 GLN 50 13.128 1.722 -9.935 411 H LYS 51 H LYS 51 14.867 4.084 -4.931 412 HA LYS 51 HA LYS 51 15.031 4.414 -2.007 413 HB2 LYS 51 HB2 LYS 51 17.302 5.391 -2.467 414 HB3 LYS 51 HB3 LYS 51 17.147 3.677 -2.826 415 HG2 LYS 51 HG2 LYS 51 16.922 4.170 -5.193 416 HG3 LYS 51 HG3 LYS 51 17.012 5.900 -4.854 417 HD2 LYS 51 HD2 LYS 51 19.193 5.471 -5.431 418 HD3 LYS 51 HD3 LYS 51 19.269 5.223 -3.686 419 HE2 LYS 51 HE2 LYS 51 20.383 3.372 -4.570 420 HE3 LYS 51 HE3 LYS 51 18.768 2.765 -4.206 421 HZ1 LYS 51 HZ1 LYS 51 19.424 3.793 -6.893 422 HZ2 LYS 51 HZ2 LYS 51 18.195 2.724 -6.437 423 HZ3 LYS 51 HZ3 LYS 51 19.803 2.202 -6.462 424 H SER 52 H SER 52 13.467 5.727 -4.425 425 HA SER 52 HA SER 52 14.208 8.508 -4.093 426 HB2 SER 52 HB2 SER 52 11.874 7.306 -5.602 427 HB3 SER 52 HB3 SER 52 12.454 8.967 -5.725 428 HG SER 52 HG SER 52 13.709 6.590 -6.587 429 H ALA 53 H ALA 53 12.635 6.451 -2.166 430 HA ALA 53 HA ALA 53 11.343 8.529 -0.689 431 HB1 ALA 53 HB1 ALA 53 9.614 8.181 -2.359 432 HB2 ALA 53 HB2 ALA 53 9.589 6.454 -1.999 433 HB3 ALA 53 HB3 ALA 53 9.066 7.617 -0.780 434 H SER 54 H SER 54 11.145 7.991 1.427 435 HA SER 54 HA SER 54 12.346 5.538 2.295 436 HB2 SER 54 HB2 SER 54 10.904 7.265 4.241 437 HB3 SER 54 HB3 SER 54 12.499 6.522 4.359 438 HG SER 54 HG SER 54 13.206 8.432 3.861 439 H VAL 55 H VAL 55 11.368 3.990 3.725 440 HA VAL 55 HA VAL 55 9.012 2.879 2.824 441 HB VAL 55 HB VAL 55 10.612 2.559 5.309 442 HG11 VAL 55 HG11 VAL 55 8.550 2.451 6.385 443 HG12 VAL 55 HG12 VAL 55 7.761 1.687 5.004 444 HG13 VAL 55 HG13 VAL 55 8.895 0.766 5.992 445 HG21 VAL 55 HG21 VAL 55 9.651 0.197 3.910 446 HG22 VAL 55 HG22 VAL 55 10.502 1.319 2.849 447 HG23 VAL 55 HG23 VAL 55 11.300 0.692 4.290 448 HA PRO 56 HA PRO 56 6.637 4.914 6.512 449 HB2 PRO 56 HB2 PRO 56 7.923 6.871 7.887 450 HB3 PRO 56 HB3 PRO 56 8.019 5.162 8.332 451 HG2 PRO 56 HG2 PRO 56 9.969 6.829 6.790 452 HG3 PRO 56 HG3 PRO 56 10.279 5.639 8.067 453 HD2 PRO 56 HD2 PRO 56 10.590 5.070 5.437 454 HD3 PRO 56 HD3 PRO 56 10.078 3.853 6.624 455 H LEU 57 H LEU 57 8.653 6.644 4.320 456 HA LEU 57 HA LEU 57 7.117 9.087 4.397 457 HB2 LEU 57 HB2 LEU 57 9.537 8.108 3.054 458 HB3 LEU 57 HB3 LEU 57 8.568 9.228 2.100 459 HG LEU 57 HG LEU 57 8.747 10.894 3.897 460 HD11 LEU 57 HD11 LEU 57 9.124 10.072 5.942 461 HD12 LEU 57 HD12 LEU 57 10.825 10.095 5.477 462 HD13 LEU 57 HD13 LEU 57 9.889 8.610 5.319 463 HD21 LEU 57 HD21 LEU 57 11.562 10.439 3.654 464 HD22 LEU 57 HD22 LEU 57 10.553 11.637 2.843 465 HD23 LEU 57 HD23 LEU 57 10.764 10.035 2.134 466 H ILE 58 H ILE 58 7.104 6.109 2.626 467 HA ILE 58 HA ILE 58 5.398 7.142 0.518 468 HB ILE 58 HB ILE 58 6.293 4.315 1.087 469 HG12 ILE 58 HG12 ILE 58 7.258 5.768 -1.296 470 HG13 ILE 58 HG13 ILE 58 7.854 6.375 0.245 471 HG21 ILE 58 HG21 ILE 58 5.563 4.708 -1.621 472 HG22 ILE 58 HG22 ILE 58 4.815 3.649 -0.425 473 HG23 ILE 58 HG23 ILE 58 4.244 5.306 -0.614 474 HD11 ILE 58 HD11 ILE 58 8.630 4.091 0.787 475 HD12 ILE 58 HD12 ILE 58 8.137 3.580 -0.829 476 HD13 ILE 58 HD13 ILE 58 9.410 4.785 -0.634 477 H LEU 59 H LEU 59 5.133 4.806 3.187 478 HA LEU 59 HA LEU 59 2.462 4.099 2.812 479 HB2 LEU 59 HB2 LEU 59 4.126 4.245 5.315 480 HB3 LEU 59 HB3 LEU 59 2.507 3.552 5.264 481 HG LEU 59 HG LEU 59 4.783 2.518 3.586 482 HD11 LEU 59 HD11 LEU 59 3.898 1.667 6.337 483 HD12 LEU 59 HD12 LEU 59 5.483 2.276 5.861 484 HD13 LEU 59 HD13 LEU 59 4.932 0.703 5.283 485 HD21 LEU 59 HD21 LEU 59 2.809 0.596 4.320 486 HD22 LEU 59 HD22 LEU 59 3.246 1.178 2.714 487 HD23 LEU 59 HD23 LEU 59 2.004 2.013 3.647 488 H SER 60 H SER 60 3.896 6.898 4.337 489 HA SER 60 HA SER 60 1.609 7.812 5.717 490 HB2 SER 60 HB2 SER 60 4.050 9.256 4.675 491 HB3 SER 60 HB3 SER 60 2.797 10.052 5.628 492 HG SER 60 HG SER 60 4.125 7.717 6.514 493 H ARG 61 H ARG 61 3.008 8.943 2.635 494 HA ARG 61 HA ARG 61 0.824 10.599 1.967 495 HB2 ARG 61 HB2 ARG 61 3.229 9.563 0.580 496 HB3 ARG 61 HB3 ARG 61 1.902 10.084 -0.449 497 HG2 ARG 61 HG2 ARG 61 3.064 12.033 -0.281 498 HG3 ARG 61 HG3 ARG 61 1.977 12.211 1.098 499 HD2 ARG 61 HD2 ARG 61 3.667 11.568 2.629 500 HD3 ARG 61 HD3 ARG 61 4.724 11.009 1.332 501 HE ARG 61 HE ARG 61 4.239 13.719 0.916 502 HH11 ARG 61 HH11 ARG 61 5.792 11.669 3.261 503 HH12 ARG 61 HH12 ARG 61 6.950 12.868 3.735 504 HH21 ARG 61 HH21 ARG 61 5.758 15.306 1.531 505 HH22 ARG 61 HH22 ARG 61 6.928 14.937 2.751 506 H MET 62 H MET 62 1.585 7.237 1.241 507 HA MET 62 HA MET 62 -0.276 6.690 -0.725 508 HB2 MET 62 HB2 MET 62 1.407 5.075 0.009 509 HB3 MET 62 HB3 MET 62 0.588 4.905 1.556 510 HG2 MET 62 HG2 MET 62 -1.369 3.985 0.417 511 HG3 MET 62 HG3 MET 62 -0.540 4.150 -1.130 512 HE1 MET 62 HE1 MET 62 -0.906 2.575 2.171 513 HE2 MET 62 HE2 MET 62 -1.466 1.208 1.207 514 HE3 MET 62 HE3 MET 62 0.025 1.076 2.142 515 H ASN 63 H ASN 63 -0.744 6.195 2.781 516 HA ASN 63 HA ASN 63 -3.415 5.501 2.732 517 HB2 ASN 63 HB2 ASN 63 -1.743 5.589 4.712 518 HB3 ASN 63 HB3 ASN 63 -2.306 7.246 4.916 519 HD21 ASN 63 HD21 ASN 63 -2.605 5.272 6.852 520 HD22 ASN 63 HD22 ASN 63 -4.290 4.942 7.050 521 H LEU 64 H LEU 64 -2.038 8.762 3.125 522 HA LEU 64 HA LEU 64 -4.503 10.118 3.211 523 HB2 LEU 64 HB2 LEU 64 -1.674 10.886 2.716 524 HB3 LEU 64 HB3 LEU 64 -2.934 12.044 2.298 525 HG LEU 64 HG LEU 64 -3.746 11.824 4.687 526 HD11 LEU 64 HD11 LEU 64 -1.784 9.796 4.728 527 HD12 LEU 64 HD12 LEU 64 -2.809 10.352 6.050 528 HD13 LEU 64 HD13 LEU 64 -1.227 11.086 5.795 529 HD21 LEU 64 HD21 LEU 64 -1.011 12.951 4.104 530 HD22 LEU 64 HD22 LEU 64 -1.940 13.298 5.562 531 HD23 LEU 64 HD23 LEU 64 -2.561 13.785 3.984 532 H ASP 65 H ASP 65 -2.813 8.671 0.627 533 HA ASP 65 HA ASP 65 -4.027 10.312 -1.432 534 HB2 ASP 65 HB2 ASP 65 -1.702 9.267 -1.576 535 HB3 ASP 65 HB3 ASP 65 -2.521 7.732 -1.845 536 H ILE 66 H ILE 66 -4.142 6.872 -0.499 537 HA ILE 66 HA ILE 66 -6.256 6.184 -2.227 538 HB ILE 66 HB ILE 66 -5.558 4.842 0.385 539 HG12 ILE 66 HG12 ILE 66 -4.445 4.361 -2.388 540 HG13 ILE 66 HG13 ILE 66 -3.571 5.085 -1.042 541 HG21 ILE 66 HG21 ILE 66 -6.467 3.221 -1.869 542 HG22 ILE 66 HG22 ILE 66 -6.963 3.194 -0.177 543 HG23 ILE 66 HG23 ILE 66 -7.672 4.369 -1.285 544 HD11 ILE 66 HD11 ILE 66 -4.109 2.872 0.178 545 HD12 ILE 66 HD12 ILE 66 -4.408 2.251 -1.445 546 HD13 ILE 66 HD13 ILE 66 -2.825 2.906 -1.030 547 H SER 67 H SER 67 -6.214 7.194 1.167 548 HA SER 67 HA SER 67 -8.836 6.770 1.872 549 HB2 SER 67 HB2 SER 67 -7.506 7.539 3.618 550 HB3 SER 67 HB3 SER 67 -6.829 8.854 2.658 551 HG SER 67 HG SER 67 -8.383 9.528 4.258 552 H LYS 68 H LYS 68 -7.478 9.502 0.083 553 HA LYS 68 HA LYS 68 -9.939 10.932 -0.093 554 HB2 LYS 68 HB2 LYS 68 -8.694 12.556 -1.038 555 HB3 LYS 68 HB3 LYS 68 -7.326 11.568 -0.546 556 HG2 LYS 68 HG2 LYS 68 -7.417 10.471 -2.789 557 HG3 LYS 68 HG3 LYS 68 -8.632 11.664 -3.254 558 HD2 LYS 68 HD2 LYS 68 -6.078 12.638 -2.079 559 HD3 LYS 68 HD3 LYS 68 -6.059 12.039 -3.740 560 HE2 LYS 68 HE2 LYS 68 -6.480 14.314 -3.989 561 HE3 LYS 68 HE3 LYS 68 -8.082 13.586 -4.098 562 HZ1 LYS 68 HZ1 LYS 68 -8.737 14.785 -2.374 563 HZ2 LYS 68 HZ2 LYS 68 -7.235 15.561 -2.341 564 HZ3 LYS 68 HZ3 LYS 68 -7.491 14.175 -1.405 565 H ALA 69 H ALA 69 -8.335 8.521 -2.062 566 HA ALA 69 HA ALA 69 -9.926 8.835 -4.386 567 HB1 ALA 69 HB1 ALA 69 -7.940 6.916 -3.396 568 HB2 ALA 69 HB2 ALA 69 -9.136 6.241 -4.503 569 HB3 ALA 69 HB3 ALA 69 -8.147 7.613 -5.003 570 H ILE 70 H ILE 70 -10.625 7.582 -1.321 571 HA ILE 70 HA ILE 70 -12.421 5.510 -1.939 572 HB ILE 70 HB ILE 70 -12.533 7.366 0.440 573 HG12 ILE 70 HG12 ILE 70 -11.046 4.760 0.053 574 HG13 ILE 70 HG13 ILE 70 -10.320 6.353 0.230 575 HG21 ILE 70 HG21 ILE 70 -13.650 5.480 1.547 576 HG22 ILE 70 HG22 ILE 70 -14.563 6.068 0.159 577 HG23 ILE 70 HG23 ILE 70 -13.619 4.584 0.030 578 HD11 ILE 70 HD11 ILE 70 -11.354 6.470 2.502 579 HD12 ILE 70 HD12 ILE 70 -11.818 4.780 2.303 580 HD13 ILE 70 HD13 ILE 70 -10.113 5.232 2.306 581 H ARG 71 H ARG 71 -13.350 8.721 -0.700 582 HA ARG 71 HA ARG 71 -16.018 8.565 -1.489 583 HB2 ARG 71 HB2 ARG 71 -16.062 11.019 -1.192 584 HB3 ARG 71 HB3 ARG 71 -15.268 10.194 0.142 585 HG2 ARG 71 HG2 ARG 71 -13.102 10.701 -1.248 586 HG3 ARG 71 HG3 ARG 71 -14.115 11.962 -1.952 587 HD2 ARG 71 HD2 ARG 71 -14.044 11.672 1.011 588 HD3 ARG 71 HD3 ARG 71 -12.659 12.406 0.202 589 HE ARG 71 HE ARG 71 -15.240 13.576 0.602 590 HH11 ARG 71 HH11 ARG 71 -12.450 13.527 -1.481 591 HH12 ARG 71 HH12 ARG 71 -12.706 15.132 -2.079 592 HH21 ARG 71 HH21 ARG 71 -15.588 15.690 -0.178 593 HH22 ARG 71 HH22 ARG 71 -14.491 16.362 -1.337 594 H ASN 72 H ASN 72 -13.175 9.664 -3.232 595 HA ASN 72 HA ASN 72 -14.358 10.994 -5.359 596 HB2 ASN 72 HB2 ASN 72 -11.797 9.559 -4.932 597 HB3 ASN 72 HB3 ASN 72 -12.266 9.839 -6.606 598 HD21 ASN 72 HD21 ASN 72 -12.159 11.585 -3.518 599 HD22 ASN 72 HD22 ASN 72 -11.541 13.058 -4.179 600 H ASP 73 H ASP 73 -13.274 7.592 -5.391 601 HA ASP 73 HA ASP 73 -14.995 7.058 -7.672 602 HB2 ASP 73 HB2 ASP 73 -12.566 6.164 -7.238 603 HB3 ASP 73 HB3 ASP 73 -13.396 4.944 -6.277 604 H GLY 74 H GLY 74 -15.732 7.434 -4.626 605 HA2 GLY 74 HA2 GLY 74 -17.292 6.581 -3.168 606 HA3 GLY 74 HA3 GLY 74 -18.141 6.103 -4.630 607 H VAL 75 H VAL 75 -14.993 4.847 -3.761 608 HA VAL 75 HA VAL 75 -16.043 2.154 -3.806 609 HB VAL 75 HB VAL 75 -13.832 2.822 -4.830 610 HG11 VAL 75 HG11 VAL 75 -12.291 2.436 -2.433 611 HG12 VAL 75 HG12 VAL 75 -12.227 3.754 -3.606 612 HG13 VAL 75 HG13 VAL 75 -13.362 3.826 -2.258 613 HG21 VAL 75 HG21 VAL 75 -14.660 0.461 -3.833 614 HG22 VAL 75 HG22 VAL 75 -13.127 0.681 -4.677 615 HG23 VAL 75 HG23 VAL 75 -13.171 0.680 -2.914 616 H THR 76 H THR 76 -15.564 0.589 -2.114 617 HA THR 76 HA THR 76 -15.268 1.757 0.564 618 HB THR 76 HB THR 76 -17.280 -0.420 0.046 619 HG1 THR 76 HG1 THR 76 -17.533 2.361 -0.293 620 HG21 THR 76 HG21 THR 76 -17.332 -0.389 2.278 621 HG22 THR 76 HG22 THR 76 -18.058 1.214 2.164 622 HG23 THR 76 HG23 THR 76 -16.312 1.047 2.343 623 H LEU 77 H LEU 77 -13.776 0.735 1.723 624 HA LEU 77 HA LEU 77 -12.507 -1.628 0.731 625 HB2 LEU 77 HB2 LEU 77 -12.134 -0.377 3.441 626 HB3 LEU 77 HB3 LEU 77 -11.001 -1.401 2.561 627 HG LEU 77 HG LEU 77 -11.501 0.859 0.941 628 HD11 LEU 77 HD11 LEU 77 -11.360 2.709 2.235 629 HD12 LEU 77 HD12 LEU 77 -10.431 1.897 3.494 630 HD13 LEU 77 HD13 LEU 77 -12.177 1.664 3.397 631 HD21 LEU 77 HD21 LEU 77 -9.245 0.878 0.802 632 HD22 LEU 77 HD22 LEU 77 -9.411 -0.700 1.571 633 HD23 LEU 77 HD23 LEU 77 -9.025 0.720 2.544 634 H SER 78 H SER 78 -12.775 -3.701 1.319 635 HA SER 78 HA SER 78 -15.068 -4.411 2.879 636 HB2 SER 78 HB2 SER 78 -13.016 -5.874 1.290 637 HB3 SER 78 HB3 SER 78 -13.894 -6.784 2.519 638 HG SER 78 HG SER 78 -15.760 -6.450 1.461 639 H ASP 79 H ASP 79 -14.635 -6.425 4.440 640 HA ASP 79 HA ASP 79 -13.611 -5.429 6.800 641 HB2 ASP 79 HB2 ASP 79 -15.061 -7.546 6.320 642 HB3 ASP 79 HB3 ASP 79 -13.509 -8.375 6.246 643 H TYR 80 H TYR 80 -12.045 -8.012 4.900 644 HA TYR 80 HA TYR 80 -9.621 -8.027 6.215 645 HB2 TYR 80 HB2 TYR 80 -8.681 -9.035 4.176 646 HB3 TYR 80 HB3 TYR 80 -10.249 -9.727 4.575 647 HD1 TYR 80 HD1 TYR 80 -12.257 -9.068 3.249 648 HD2 TYR 80 HD2 TYR 80 -8.325 -7.893 2.121 649 HE1 TYR 80 HE1 TYR 80 -13.067 -8.550 0.985 650 HE2 TYR 80 HE2 TYR 80 -9.125 -7.371 -0.144 651 HH TYR 80 HH TYR 80 -11.301 -8.321 -1.591 652 H GLN 81 H GLN 81 -10.680 -5.958 3.560 653 HA GLN 81 HA GLN 81 -8.232 -4.740 2.977 654 HB2 GLN 81 HB2 GLN 81 -11.062 -3.718 2.745 655 HB3 GLN 81 HB3 GLN 81 -9.668 -2.831 2.141 656 HG2 GLN 81 HG2 GLN 81 -9.259 -5.237 0.988 657 HG3 GLN 81 HG3 GLN 81 -11.020 -5.203 1.060 658 HE21 GLN 81 HE21 GLN 81 -9.611 -5.214 -1.329 659 HE22 GLN 81 HE22 GLN 81 -9.853 -3.703 -2.129 660 H SER 82 H SER 82 -10.892 -3.247 4.827 661 HA SER 82 HA SER 82 -9.492 -1.112 5.854 662 HB2 SER 82 HB2 SER 82 -12.012 -1.724 6.050 663 HB3 SER 82 HB3 SER 82 -11.534 -2.538 7.540 664 HG SER 82 HG SER 82 -10.790 0.135 7.033 665 H LYS 83 H LYS 83 -9.580 -4.429 6.994 666 HA LYS 83 HA LYS 83 -8.307 -4.002 9.480 667 HB2 LYS 83 HB2 LYS 83 -8.689 -6.395 7.709 668 HB3 LYS 83 HB3 LYS 83 -7.669 -6.504 9.137 669 HG2 LYS 83 HG2 LYS 83 -9.440 -6.218 10.588 670 HG3 LYS 83 HG3 LYS 83 -10.442 -5.425 9.371 671 HD2 LYS 83 HD2 LYS 83 -11.433 -7.503 9.498 672 HD3 LYS 83 HD3 LYS 83 -10.304 -7.735 8.163 673 HE2 LYS 83 HE2 LYS 83 -9.630 -8.411 11.017 674 HE3 LYS 83 HE3 LYS 83 -10.369 -9.566 9.910 675 HZ1 LYS 83 HZ1 LYS 83 -8.291 -10.057 9.330 676 HZ2 LYS 83 HZ2 LYS 83 -7.647 -8.678 10.069 677 HZ3 LYS 83 HZ3 LYS 83 -8.267 -8.584 8.498 678 H LYS 84 H LYS 84 -7.011 -5.144 6.362 679 HA LYS 84 HA LYS 84 -4.329 -5.287 7.148 680 HB2 LYS 84 HB2 LYS 84 -3.865 -5.743 4.953 681 HB3 LYS 84 HB3 LYS 84 -5.597 -6.047 4.948 682 HG2 LYS 84 HG2 LYS 84 -5.533 -4.713 3.138 683 HG3 LYS 84 HG3 LYS 84 -5.603 -3.433 4.351 684 HD2 LYS 84 HD2 LYS 84 -3.011 -3.625 4.324 685 HD3 LYS 84 HD3 LYS 84 -3.261 -4.421 2.769 686 HE2 LYS 84 HE2 LYS 84 -4.865 -2.223 2.545 687 HE3 LYS 84 HE3 LYS 84 -3.531 -1.599 3.515 688 HZ1 LYS 84 HZ1 LYS 84 -2.679 -3.197 1.281 689 HZ2 LYS 84 HZ2 LYS 84 -2.153 -1.668 1.780 690 HZ3 LYS 84 HZ3 LYS 84 -3.537 -1.815 0.820 691 H LEU 85 H LEU 85 -6.324 -2.580 6.524 692 HA LEU 85 HA LEU 85 -4.366 -0.718 5.692 693 HB2 LEU 85 HB2 LEU 85 -6.970 -0.589 5.693 694 HB3 LEU 85 HB3 LEU 85 -6.750 0.074 7.311 695 HG LEU 85 HG LEU 85 -5.270 1.299 5.027 696 HD11 LEU 85 HD11 LEU 85 -7.877 2.498 5.611 697 HD12 LEU 85 HD12 LEU 85 -7.956 0.942 4.785 698 HD13 LEU 85 HD13 LEU 85 -7.046 2.274 4.071 699 HD21 LEU 85 HD21 LEU 85 -6.213 2.076 7.743 700 HD22 LEU 85 HD22 LEU 85 -6.012 3.331 6.520 701 HD23 LEU 85 HD23 LEU 85 -4.642 2.320 6.979 702 H LYS 86 H LYS 86 -5.431 -1.842 8.836 703 HA LYS 86 HA LYS 86 -4.098 0.172 10.350 704 HB2 LYS 86 HB2 LYS 86 -4.883 -0.919 12.213 705 HB3 LYS 86 HB3 LYS 86 -6.012 -1.524 11.008 706 HG2 LYS 86 HG2 LYS 86 -4.484 -3.514 10.752 707 HG3 LYS 86 HG3 LYS 86 -3.632 -2.931 12.184 708 HD2 LYS 86 HD2 LYS 86 -5.152 -4.436 13.079 709 HD3 LYS 86 HD3 LYS 86 -5.989 -2.894 13.265 710 HE2 LYS 86 HE2 LYS 86 -7.652 -4.215 12.375 711 HE3 LYS 86 HE3 LYS 86 -6.981 -3.473 10.923 712 HZ1 LYS 86 HZ1 LYS 86 -5.985 -5.418 10.279 713 HZ2 LYS 86 HZ2 LYS 86 -7.383 -6.021 11.018 714 HZ3 LYS 86 HZ3 LYS 86 -5.909 -6.049 11.847 715 H GLU 87 H GLU 87 -2.937 -2.366 8.524 716 HA GLU 87 HA GLU 87 -0.853 -3.406 10.072 717 HB2 GLU 87 HB2 GLU 87 -1.093 -3.033 7.086 718 HB3 GLU 87 HB3 GLU 87 0.223 -3.912 7.849 719 HG2 GLU 87 HG2 GLU 87 -2.667 -4.630 8.240 720 HG3 GLU 87 HG3 GLU 87 -1.667 -5.304 6.952 721 H LEU 88 H LEU 88 -0.214 -1.289 7.301 722 HA LEU 88 HA LEU 88 2.245 -0.373 8.330 723 HB2 LEU 88 HB2 LEU 88 1.921 1.437 6.530 724 HB3 LEU 88 HB3 LEU 88 2.078 -0.245 6.029 725 HG LEU 88 HG LEU 88 0.296 1.269 4.909 726 HD11 LEU 88 HD11 LEU 88 -0.347 -0.685 4.090 727 HD12 LEU 88 HD12 LEU 88 -1.204 -1.065 5.584 728 HD13 LEU 88 HD13 LEU 88 0.497 -1.495 5.409 729 HD21 LEU 88 HD21 LEU 88 -1.280 0.399 7.322 730 HD22 LEU 88 HD22 LEU 88 -1.809 1.425 5.989 731 HD23 LEU 88 HD23 LEU 88 -0.608 2.019 7.137 732 H THR 89 H THR 89 -0.875 0.406 9.228 733 HA THR 89 HA THR 89 -0.673 3.179 9.728 734 HB THR 89 HB THR 89 -2.417 1.047 10.960 735 HG1 THR 89 HG1 THR 89 -2.799 3.087 9.016 736 HG21 THR 89 HG21 THR 89 -2.414 2.606 12.676 737 HG22 THR 89 HG22 THR 89 -3.763 3.155 11.681 738 HG23 THR 89 HG23 THR 89 -2.202 3.967 11.575 739 H SER 90 H SER 90 -0.208 0.364 11.859 740 HA SER 90 HA SER 90 0.643 1.977 14.070 741 HB2 SER 90 HB2 SER 90 -0.443 -0.147 14.508 742 HB3 SER 90 HB3 SER 90 0.794 -1.009 13.594 743 HG SER 90 HG SER 90 0.905 0.096 16.148 744 H ILE 91 H ILE 91 2.207 0.262 11.459 745 HA ILE 91 HA ILE 91 4.837 0.326 12.550 746 HB ILE 91 HB ILE 91 4.003 0.097 9.656 747 HG12 ILE 91 HG12 ILE 91 4.723 -2.124 11.573 748 HG13 ILE 91 HG13 ILE 91 3.065 -1.635 11.246 749 HG21 ILE 91 HG21 ILE 91 6.603 -0.418 11.074 750 HG22 ILE 91 HG22 ILE 91 6.235 -1.075 9.480 751 HG23 ILE 91 HG23 ILE 91 6.294 0.670 9.721 752 HD11 ILE 91 HD11 ILE 91 4.996 -3.079 9.521 753 HD12 ILE 91 HD12 ILE 91 3.274 -3.360 9.781 754 HD13 ILE 91 HD13 ILE 91 3.805 -2.030 8.751 755 H SER 92 H SER 92 2.930 2.520 10.600 756 HA SER 92 HA SER 92 5.089 4.210 9.826 757 HB2 SER 92 HB2 SER 92 3.112 4.278 8.486 758 HB3 SER 92 HB3 SER 92 2.096 4.617 9.888 759 HG SER 92 HG SER 92 2.550 6.493 8.631 760 H ASN 93 H ASN 93 5.470 6.386 10.548 761 HA ASN 93 HA ASN 93 5.450 6.592 13.412 762 HB2 ASN 93 HB2 ASN 93 7.242 7.422 11.680 763 HB3 ASN 93 HB3 ASN 93 6.233 8.864 11.621 764 HD21 ASN 93 HD21 ASN 93 7.257 10.363 12.739 765 HD22 ASN 93 HD22 ASN 93 7.900 10.174 14.331 766 H ILE 94 H ILE 94 3.633 7.963 10.764 767 HA ILE 94 HA ILE 94 1.847 9.374 10.672 768 HB ILE 94 HB ILE 94 1.281 8.430 13.481 769 HG12 ILE 94 HG12 ILE 94 1.723 6.505 12.024 770 HG13 ILE 94 HG13 ILE 94 0.019 6.591 12.454 771 HG21 ILE 94 HG21 ILE 94 -0.203 9.933 11.441 772 HG22 ILE 94 HG22 ILE 94 -1.104 8.626 12.209 773 HG23 ILE 94 HG23 ILE 94 -0.391 9.905 13.194 774 HD11 ILE 94 HD11 ILE 94 0.294 6.001 10.125 775 HD12 ILE 94 HD12 ILE 94 -0.466 7.587 10.272 776 HD13 ILE 94 HD13 ILE 94 1.240 7.463 9.846 777 H ARG 95 H ARG 95 3.454 11.150 10.745 778 HA ARG 95 HA ARG 95 3.736 12.579 13.242 779 HB2 ARG 95 HB2 ARG 95 5.052 14.176 11.939 780 HB3 ARG 95 HB3 ARG 95 5.589 12.528 11.640 781 HG2 ARG 95 HG2 ARG 95 5.533 13.211 9.498 782 HG3 ARG 95 HG3 ARG 95 3.825 12.789 9.641 783 HD2 ARG 95 HD2 ARG 95 4.100 14.983 8.615 784 HD3 ARG 95 HD3 ARG 95 3.292 15.112 10.177 785 HE ARG 95 HE ARG 95 5.973 15.482 10.685 786 HH11 ARG 95 HH11 ARG 95 3.530 17.022 8.741 787 HH12 ARG 95 HH12 ARG 95 4.249 18.595 8.851 788 HH21 ARG 95 HH21 ARG 95 6.930 17.547 10.837 789 HH22 ARG 95 HH22 ARG 95 6.183 18.892 10.041 790 H TYR 96 H TYR 96 1.691 12.663 10.447 791 HA TYR 96 HA TYR 96 0.787 15.293 10.496 792 HB2 TYR 96 HB2 TYR 96 -0.524 12.713 9.674 793 HB3 TYR 96 HB3 TYR 96 -1.380 14.247 9.565 794 HD1 TYR 96 HD1 TYR 96 1.434 12.275 8.256 795 HD2 TYR 96 HD2 TYR 96 -0.811 15.870 7.884 796 HE1 TYR 96 HE1 TYR 96 2.484 12.698 6.071 797 HE2 TYR 96 HE2 TYR 96 0.232 16.302 5.698 798 HH TYR 96 HH TYR 96 1.336 15.047 3.905 799 H GLY 97 H GLY 97 -1.606 15.830 11.064 800 HA2 GLY 97 HA2 GLY 97 -3.224 14.820 12.904 801 HA3 GLY 97 HA3 GLY 97 -1.879 15.309 13.922 802 H TYR 98 H TYR 98 -1.304 17.639 12.176 803 HA TYR 98 HA TYR 98 -3.579 19.331 12.984 804 HB2 TYR 98 HB2 TYR 98 -1.937 21.152 13.348 805 HB3 TYR 98 HB3 TYR 98 -1.668 19.778 14.414 806 HD1 TYR 98 HD1 TYR 98 -0.384 21.623 11.505 807 HD2 TYR 98 HD2 TYR 98 0.327 18.441 14.238 808 HE1 TYR 98 HE1 TYR 98 1.953 21.501 10.747 809 HE2 TYR 98 HE2 TYR 98 2.665 18.311 13.489 810 HH TYR 98 HH TYR 98 4.175 20.686 11.756 Start of MODEL 9 1 H1 MET 1 H MET 1 6.968 11.597 7.762 2 HA MET 1 HA MET 1 9.572 12.947 7.676 3 HB2 MET 1 HB2 MET 1 7.678 14.143 6.665 4 HB3 MET 1 HB3 MET 1 6.816 14.076 8.195 5 HG2 MET 1 HG2 MET 1 8.258 15.595 9.214 6 HG3 MET 1 HG3 MET 1 9.503 15.373 7.988 7 HE1 MET 1 HE1 MET 1 8.969 18.115 8.900 8 HE2 MET 1 HE2 MET 1 9.874 18.013 7.390 9 HE3 MET 1 HE3 MET 1 8.504 19.116 7.525 10 H GLY 2 H GLY 2 10.584 13.691 9.501 11 HA2 GLY 2 HA2 GLY 2 10.507 14.335 11.841 12 HA3 GLY 2 HA3 GLY 2 9.272 13.108 12.079 13 H LYS 3 H LYS 3 10.281 11.924 13.642 14 HA LYS 3 HA LYS 3 12.961 11.246 13.796 15 HB2 LYS 3 HB2 LYS 3 10.525 9.723 14.729 16 HB3 LYS 3 HB3 LYS 3 12.172 9.281 15.160 17 HG2 LYS 3 HG2 LYS 3 11.155 12.038 15.707 18 HG3 LYS 3 HG3 LYS 3 10.769 10.702 16.796 19 HD2 LYS 3 HD2 LYS 3 13.601 11.190 15.960 20 HD3 LYS 3 HD3 LYS 3 12.876 12.163 17.243 21 HE2 LYS 3 HE2 LYS 3 12.263 10.032 18.396 22 HE3 LYS 3 HE3 LYS 3 13.192 9.166 17.175 23 HZ1 LYS 3 HZ1 LYS 3 15.013 10.899 17.945 24 HZ2 LYS 3 HZ2 LYS 3 14.794 9.418 18.733 25 HZ3 LYS 3 HZ3 LYS 3 14.123 10.830 19.383 26 H LEU 4 H LEU 4 14.135 9.366 13.246 27 HA LEU 4 HA LEU 4 12.933 7.540 11.313 28 HB2 LEU 4 HB2 LEU 4 14.118 9.596 10.234 29 HB3 LEU 4 HB3 LEU 4 15.593 8.734 10.665 30 HG LEU 4 HG LEU 4 14.525 6.763 9.356 31 HD11 LEU 4 HD11 LEU 4 12.481 8.644 9.089 32 HD12 LEU 4 HD12 LEU 4 12.639 7.107 8.239 33 HD13 LEU 4 HD13 LEU 4 13.272 8.584 7.513 34 HD21 LEU 4 HD21 LEU 4 15.287 8.028 7.165 35 HD22 LEU 4 HD22 LEU 4 16.446 7.536 8.399 36 HD23 LEU 4 HD23 LEU 4 15.878 9.206 8.337 37 H LYS 5 H LYS 5 13.393 5.552 11.955 38 HA LYS 5 HA LYS 5 15.106 4.848 14.003 39 HB2 LYS 5 HB2 LYS 5 15.006 2.519 12.957 40 HB3 LYS 5 HB3 LYS 5 13.474 3.266 13.390 41 HG2 LYS 5 HG2 LYS 5 12.817 3.504 11.227 42 HG3 LYS 5 HG3 LYS 5 14.469 3.671 10.626 43 HD2 LYS 5 HD2 LYS 5 13.627 1.577 9.849 44 HD3 LYS 5 HD3 LYS 5 14.802 1.238 11.122 45 HE2 LYS 5 HE2 LYS 5 13.071 -0.164 11.709 46 HE3 LYS 5 HE3 LYS 5 12.705 1.267 12.673 47 HZ1 LYS 5 HZ1 LYS 5 10.931 1.810 11.362 48 HZ2 LYS 5 HZ2 LYS 5 10.870 0.124 11.243 49 HZ3 LYS 5 HZ3 LYS 5 11.544 1.036 9.988 50 H TRP 6 H TRP 6 17.212 5.317 14.062 51 HA TRP 6 HA TRP 6 18.845 5.305 11.690 52 HB2 TRP 6 HB2 TRP 6 19.332 5.899 14.592 53 HB3 TRP 6 HB3 TRP 6 20.690 5.695 13.489 54 HD1 TRP 6 HD1 TRP 6 18.330 8.260 14.723 55 HE1 TRP 6 HE1 TRP 6 18.537 10.419 13.337 56 HE3 TRP 6 HE3 TRP 6 21.103 6.457 10.825 57 HZ2 TRP 6 HZ2 TRP 6 19.720 11.247 10.911 58 HZ3 TRP 6 HZ3 TRP 6 21.730 7.998 9.012 59 HH2 TRP 6 HH2 TRP 6 21.051 10.343 9.055 60 H PHE 7 H PHE 7 18.277 2.967 11.298 61 HA PHE 7 HA PHE 7 18.868 0.772 11.206 62 HB2 PHE 7 HB2 PHE 7 21.069 1.873 10.672 63 HB3 PHE 7 HB3 PHE 7 21.503 1.687 12.368 64 HD1 PHE 7 HD1 PHE 7 20.014 -0.487 9.720 65 HD2 PHE 7 HD2 PHE 7 22.949 -0.036 12.769 66 HE1 PHE 7 HE1 PHE 7 20.842 -2.756 9.253 67 HE2 PHE 7 HE2 PHE 7 23.783 -2.303 12.306 68 HZ PHE 7 HZ PHE 7 22.730 -3.667 10.546 69 H SER 8 H SER 8 17.311 1.206 13.314 70 HA SER 8 HA SER 8 18.419 0.512 15.829 71 HB2 SER 8 HB2 SER 8 15.550 0.147 14.946 72 HB3 SER 8 HB3 SER 8 16.143 0.322 16.597 73 HG SER 8 HG SER 8 16.472 2.431 16.277 74 H GLY 9 H GLY 9 16.180 -1.406 13.812 75 HA2 GLY 9 HA2 GLY 9 17.714 -3.732 13.703 76 HA3 GLY 9 HA3 GLY 9 16.728 -3.834 15.155 77 H GLY 10 H GLY 10 16.657 -5.483 12.730 78 HA2 GLY 10 HA2 GLY 10 14.975 -6.583 11.598 79 HA3 GLY 10 HA3 GLY 10 13.814 -5.537 12.402 80 H LYS 11 H LYS 11 16.105 -5.710 9.719 81 HA LYS 11 HA LYS 11 15.104 -3.321 8.475 82 HB2 LYS 11 HB2 LYS 11 16.571 -3.975 6.591 83 HB3 LYS 11 HB3 LYS 11 17.418 -3.947 8.132 84 HG2 LYS 11 HG2 LYS 11 16.357 -6.566 7.661 85 HG3 LYS 11 HG3 LYS 11 17.303 -6.036 6.267 86 HD2 LYS 11 HD2 LYS 11 18.916 -5.256 8.297 87 HD3 LYS 11 HD3 LYS 11 18.162 -6.685 9.009 88 HE2 LYS 11 HE2 LYS 11 19.818 -7.777 7.943 89 HE3 LYS 11 HE3 LYS 11 18.758 -7.616 6.543 90 HZ1 LYS 11 HZ1 LYS 11 20.650 -6.755 5.678 91 HZ2 LYS 11 HZ2 LYS 11 21.240 -6.210 7.167 92 HZ3 LYS 11 HZ3 LYS 11 20.040 -5.332 6.361 93 H GLU 12 H GLU 12 14.275 -6.660 8.462 94 HA GLU 12 HA GLU 12 12.959 -6.692 5.923 95 HB2 GLU 12 HB2 GLU 12 12.982 -8.537 8.295 96 HB3 GLU 12 HB3 GLU 12 11.881 -8.806 6.950 97 HG2 GLU 12 HG2 GLU 12 13.556 -9.368 5.502 98 HG3 GLU 12 HG3 GLU 12 14.769 -8.423 6.366 99 H ARG 13 H ARG 13 12.222 -5.181 8.776 100 HA ARG 13 HA ARG 13 9.420 -5.625 8.942 101 HB2 ARG 13 HB2 ARG 13 11.354 -4.282 10.457 102 HB3 ARG 13 HB3 ARG 13 10.229 -3.032 9.941 103 HG2 ARG 13 HG2 ARG 13 8.944 -5.463 10.943 104 HG3 ARG 13 HG3 ARG 13 9.925 -4.608 12.135 105 HD2 ARG 13 HD2 ARG 13 8.625 -2.527 11.056 106 HD3 ARG 13 HD3 ARG 13 7.425 -3.789 10.784 107 HE ARG 13 HE ARG 13 8.185 -2.632 13.304 108 HH11 ARG 13 HH11 ARG 13 6.804 -5.411 11.725 109 HH12 ARG 13 HH12 ARG 13 5.933 -5.937 13.127 110 HH21 ARG 13 HH21 ARG 13 7.043 -3.316 15.157 111 HH22 ARG 13 HH22 ARG 13 6.070 -4.744 15.078 112 H SER 14 H SER 14 11.431 -3.482 7.081 113 HA SER 14 HA SER 14 9.360 -1.659 6.343 114 HB2 SER 14 HB2 SER 14 12.180 -2.150 5.494 115 HB3 SER 14 HB3 SER 14 11.138 -1.218 4.420 116 HG SER 14 HG SER 14 10.665 -0.133 6.660 117 H ASN 15 H ASN 15 10.635 -4.644 5.032 118 HA ASN 15 HA ASN 15 9.314 -4.436 2.507 119 HB2 ASN 15 HB2 ASN 15 11.145 -6.242 3.784 120 HB3 ASN 15 HB3 ASN 15 9.810 -7.160 3.095 121 HD21 ASN 15 HD21 ASN 15 11.668 -4.290 2.134 122 HD22 ASN 15 HD22 ASN 15 12.036 -4.854 0.543 123 H GLN 16 H GLN 16 8.256 -5.146 5.634 124 HA GLN 16 HA GLN 16 6.297 -7.091 5.214 125 HB2 GLN 16 HB2 GLN 16 7.170 -5.942 7.406 126 HB3 GLN 16 HB3 GLN 16 5.830 -4.839 7.129 127 HG2 GLN 16 HG2 GLN 16 4.729 -6.327 8.403 128 HG3 GLN 16 HG3 GLN 16 4.536 -7.161 6.862 129 HE21 GLN 16 HE21 GLN 16 7.089 -6.864 9.316 130 HE22 GLN 16 HE22 GLN 16 7.389 -8.560 9.451 131 H ALA 17 H ALA 17 5.922 -3.544 5.266 132 HA ALA 17 HA ALA 17 3.246 -3.383 4.618 133 HB1 ALA 17 HB1 ALA 17 4.273 -1.226 3.297 134 HB2 ALA 17 HB2 ALA 17 3.920 -1.286 5.024 135 HB3 ALA 17 HB3 ALA 17 5.557 -1.598 4.447 136 H GLU 18 H GLU 18 6.008 -3.425 2.366 137 HA GLU 18 HA GLU 18 4.617 -3.235 -0.018 138 HB2 GLU 18 HB2 GLU 18 7.018 -3.098 0.010 139 HB3 GLU 18 HB3 GLU 18 7.155 -4.740 0.623 140 HG2 GLU 18 HG2 GLU 18 5.671 -4.819 -1.795 141 HG3 GLU 18 HG3 GLU 18 7.121 -3.852 -2.062 142 H ASN 19 H ASN 19 5.312 -6.101 1.932 143 HA ASN 19 HA ASN 19 4.276 -7.996 0.113 144 HB2 ASN 19 HB2 ASN 19 5.722 -8.753 1.870 145 HB3 ASN 19 HB3 ASN 19 4.663 -8.084 3.108 146 HD21 ASN 19 HD21 ASN 19 4.294 -9.971 4.177 147 HD22 ASN 19 HD22 ASN 19 3.410 -11.292 3.504 148 H ILE 20 H ILE 20 2.812 -6.102 2.693 149 HA ILE 20 HA ILE 20 0.313 -7.432 2.718 150 HB ILE 20 HB ILE 20 0.948 -4.586 3.508 151 HG12 ILE 20 HG12 ILE 20 0.636 -6.963 5.336 152 HG13 ILE 20 HG13 ILE 20 2.197 -6.512 4.659 153 HG21 ILE 20 HG21 ILE 20 -1.096 -4.701 4.835 154 HG22 ILE 20 HG22 ILE 20 -1.437 -4.948 3.123 155 HG23 ILE 20 HG23 ILE 20 -1.410 -6.325 4.224 156 HD11 ILE 20 HD11 ILE 20 0.598 -4.447 6.082 157 HD12 ILE 20 HD12 ILE 20 1.459 -5.670 7.017 158 HD13 ILE 20 HD13 ILE 20 2.346 -4.612 5.920 159 H ILE 21 H ILE 21 1.371 -4.411 1.156 160 HA ILE 21 HA ILE 21 -0.983 -3.658 -0.054 161 HB ILE 21 HB ILE 21 1.795 -3.435 -1.220 162 HG12 ILE 21 HG12 ILE 21 0.199 -1.452 0.417 163 HG13 ILE 21 HG13 ILE 21 1.514 -2.441 1.043 164 HG21 ILE 21 HG21 ILE 21 0.186 -1.271 -2.002 165 HG22 ILE 21 HG22 ILE 21 0.828 -2.562 -3.017 166 HG23 ILE 21 HG23 ILE 21 -0.768 -2.726 -2.285 167 HD11 ILE 21 HD11 ILE 21 1.892 -0.550 -1.252 168 HD12 ILE 21 HD12 ILE 21 2.058 -0.047 0.432 169 HD13 ILE 21 HD13 ILE 21 3.117 -1.295 -0.226 170 H THR 22 H THR 22 1.420 -5.984 -1.217 171 HA THR 22 HA THR 22 0.368 -6.487 -3.741 172 HB THR 22 HB THR 22 1.652 -8.560 -1.957 173 HG1 THR 22 HG1 THR 22 2.792 -6.508 -3.566 174 HG21 THR 22 HG21 THR 22 0.692 -8.616 -4.640 175 HG22 THR 22 HG22 THR 22 1.512 -9.889 -3.738 176 HG23 THR 22 HG23 THR 22 2.451 -8.727 -4.673 177 H ASP 23 H ASP 23 -0.674 -7.598 -0.599 178 HA ASP 23 HA ASP 23 -2.259 -9.771 -1.332 179 HB2 ASP 23 HB2 ASP 23 -1.651 -8.969 1.016 180 HB3 ASP 23 HB3 ASP 23 -2.987 -7.831 0.859 181 H LEU 24 H LEU 24 -3.493 -6.515 -0.551 182 HA LEU 24 HA LEU 24 -6.055 -6.814 -1.479 183 HB2 LEU 24 HB2 LEU 24 -4.290 -4.375 -1.575 184 HB3 LEU 24 HB3 LEU 24 -6.026 -4.347 -1.879 185 HG LEU 24 HG LEU 24 -4.635 -4.999 0.715 186 HD11 LEU 24 HD11 LEU 24 -4.706 -2.703 0.601 187 HD12 LEU 24 HD12 LEU 24 -6.244 -3.061 1.386 188 HD13 LEU 24 HD13 LEU 24 -6.199 -2.686 -0.337 189 HD21 LEU 24 HD21 LEU 24 -6.514 -6.494 0.472 190 HD22 LEU 24 HD22 LEU 24 -7.561 -5.155 0.003 191 HD23 LEU 24 HD23 LEU 24 -6.913 -5.235 1.642 192 H LEU 25 H LEU 25 -3.147 -6.115 -3.328 193 HA LEU 25 HA LEU 25 -4.277 -5.390 -5.761 194 HB2 LEU 25 HB2 LEU 25 -1.706 -6.397 -4.825 195 HB3 LEU 25 HB3 LEU 25 -2.074 -6.872 -6.482 196 HG LEU 25 HG LEU 25 -0.730 -4.831 -6.394 197 HD11 LEU 25 HD11 LEU 25 -3.283 -5.115 -7.701 198 HD12 LEU 25 HD12 LEU 25 -1.773 -4.441 -8.314 199 HD13 LEU 25 HD13 LEU 25 -2.898 -3.416 -7.423 200 HD21 LEU 25 HD21 LEU 25 -1.311 -3.828 -4.351 201 HD22 LEU 25 HD22 LEU 25 -3.031 -3.823 -4.744 202 HD23 LEU 25 HD23 LEU 25 -1.929 -2.737 -5.592 203 H ASP 26 H ASP 26 -3.289 -8.642 -4.689 204 HA ASP 26 HA ASP 26 -4.233 -10.007 -6.957 205 HB2 ASP 26 HB2 ASP 26 -2.707 -10.785 -4.955 206 HB3 ASP 26 HB3 ASP 26 -4.237 -11.322 -4.269 207 H ASP 27 H ASP 27 -5.804 -9.052 -3.964 208 HA ASP 27 HA ASP 27 -8.145 -10.582 -4.216 209 HB2 ASP 27 HB2 ASP 27 -7.292 -9.179 -2.215 210 HB3 ASP 27 HB3 ASP 27 -8.119 -7.835 -2.996 211 H LEU 28 H LEU 28 -7.567 -7.176 -5.103 212 HA LEU 28 HA LEU 28 -10.081 -6.972 -6.472 213 HB2 LEU 28 HB2 LEU 28 -7.764 -5.079 -6.740 214 HB3 LEU 28 HB3 LEU 28 -9.483 -4.740 -6.940 215 HG LEU 28 HG LEU 28 -8.226 -5.456 -4.297 216 HD11 LEU 28 HD11 LEU 28 -8.991 -2.760 -4.323 217 HD12 LEU 28 HD12 LEU 28 -8.046 -3.015 -5.789 218 HD13 LEU 28 HD13 LEU 28 -7.359 -3.418 -4.216 219 HD21 LEU 28 HD21 LEU 28 -10.334 -4.291 -3.494 220 HD22 LEU 28 HD22 LEU 28 -10.538 -5.883 -4.223 221 HD23 LEU 28 HD23 LEU 28 -10.919 -4.431 -5.151 222 H LYS 29 H LYS 29 -7.194 -8.401 -7.264 223 HA LYS 29 HA LYS 29 -6.597 -7.709 -9.851 224 HB2 LYS 29 HB2 LYS 29 -5.374 -9.385 -8.469 225 HB3 LYS 29 HB3 LYS 29 -6.669 -10.535 -8.777 226 HG2 LYS 29 HG2 LYS 29 -6.188 -10.399 -11.185 227 HG3 LYS 29 HG3 LYS 29 -4.852 -9.299 -10.837 228 HD2 LYS 29 HD2 LYS 29 -4.172 -11.287 -9.200 229 HD3 LYS 29 HD3 LYS 29 -5.083 -12.224 -10.387 230 HE2 LYS 29 HE2 LYS 29 -2.730 -12.173 -10.977 231 HE3 LYS 29 HE3 LYS 29 -3.680 -11.294 -12.175 232 HZ1 LYS 29 HZ1 LYS 29 -1.531 -10.365 -10.617 233 HZ2 LYS 29 HZ2 LYS 29 -2.910 -9.468 -10.222 234 HZ3 LYS 29 HZ3 LYS 29 -2.387 -9.549 -11.828 235 H THR 30 H THR 30 -8.913 -10.236 -8.864 236 HA THR 30 HA THR 30 -9.935 -10.455 -11.560 237 HB THR 30 HB THR 30 -11.498 -12.122 -10.600 238 HG1 THR 30 HG1 THR 30 -11.743 -12.270 -8.498 239 HG21 THR 30 HG21 THR 30 -9.237 -13.313 -9.408 240 HG22 THR 30 HG22 THR 30 -8.640 -12.285 -10.711 241 HG23 THR 30 HG23 THR 30 -9.837 -13.534 -11.052 242 H ASP 31 H ASP 31 -10.464 -8.370 -9.026 243 HA ASP 31 HA ASP 31 -13.296 -8.070 -9.178 244 HB2 ASP 31 HB2 ASP 31 -11.888 -7.364 -7.228 245 HB3 ASP 31 HB3 ASP 31 -11.268 -6.044 -8.217 246 H LEU 32 H LEU 32 -14.395 -6.117 -9.947 247 HA LEU 32 HA LEU 32 -13.050 -4.870 -12.248 248 HB2 LEU 32 HB2 LEU 32 -15.924 -5.774 -12.172 249 HB3 LEU 32 HB3 LEU 32 -15.105 -4.998 -13.526 250 HG LEU 32 HG LEU 32 -14.247 -7.672 -12.446 251 HD11 LEU 32 HD11 LEU 32 -16.675 -7.059 -13.805 252 HD12 LEU 32 HD12 LEU 32 -16.047 -8.630 -13.310 253 HD13 LEU 32 HD13 LEU 32 -15.628 -7.971 -14.890 254 HD21 LEU 32 HD21 LEU 32 -13.921 -7.001 -15.276 255 HD22 LEU 32 HD22 LEU 32 -12.775 -7.704 -14.135 256 HD23 LEU 32 HD23 LEU 32 -13.018 -5.957 -14.178 257 H ASP 33 H ASP 33 -14.052 -4.225 -9.331 258 HA ASP 33 HA ASP 33 -15.727 -1.912 -9.873 259 HB2 ASP 33 HB2 ASP 33 -16.240 -3.270 -7.912 260 HB3 ASP 33 HB3 ASP 33 -14.619 -3.000 -7.277 261 H ASN 34 H ASN 34 -12.897 -2.213 -7.741 262 HA ASN 34 HA ASN 34 -12.058 0.461 -8.560 263 HB2 ASN 34 HB2 ASN 34 -10.669 -1.147 -6.444 264 HB3 ASN 34 HB3 ASN 34 -10.869 0.599 -6.563 265 HD21 ASN 34 HD21 ASN 34 -11.480 -1.399 -4.426 266 HD22 ASN 34 HD22 ASN 34 -13.131 -1.102 -4.010 267 H GLU 35 H GLU 35 -11.565 -0.790 -10.695 268 HA GLU 35 HA GLU 35 -9.147 -2.326 -10.744 269 HB2 GLU 35 HB2 GLU 35 -11.055 -1.266 -12.768 270 HB3 GLU 35 HB3 GLU 35 -9.435 -1.679 -13.314 271 HG2 GLU 35 HG2 GLU 35 -11.076 -3.613 -11.726 272 HG3 GLU 35 HG3 GLU 35 -11.269 -3.458 -13.472 273 H SER 36 H SER 36 -10.019 1.027 -11.379 274 HA SER 36 HA SER 36 -7.387 1.740 -12.302 275 HB2 SER 36 HB2 SER 36 -9.597 3.606 -11.420 276 HB3 SER 36 HB3 SER 36 -8.237 3.981 -12.477 277 HG SER 36 HG SER 36 -9.129 2.718 -14.062 278 H LEU 37 H LEU 37 -9.132 1.784 -9.279 279 HA LEU 37 HA LEU 37 -7.577 3.569 -7.814 280 HB2 LEU 37 HB2 LEU 37 -9.741 2.104 -7.264 281 HB3 LEU 37 HB3 LEU 37 -8.528 1.116 -6.451 282 HG LEU 37 HG LEU 37 -9.472 2.557 -4.819 283 HD11 LEU 37 HD11 LEU 37 -7.566 3.632 -3.970 284 HD12 LEU 37 HD12 LEU 37 -6.910 3.928 -5.580 285 HD13 LEU 37 HD13 LEU 37 -6.945 2.289 -4.930 286 HD21 LEU 37 HD21 LEU 37 -8.699 5.081 -6.142 287 HD22 LEU 37 HD22 LEU 37 -10.088 4.711 -5.120 288 HD23 LEU 37 HD23 LEU 37 -10.093 4.237 -6.819 289 H LYS 38 H LYS 38 -7.026 0.199 -8.629 290 HA LYS 38 HA LYS 38 -5.007 -0.482 -6.882 291 HB2 LYS 38 HB2 LYS 38 -5.342 -1.207 -9.796 292 HB3 LYS 38 HB3 LYS 38 -4.166 -1.968 -8.733 293 HG2 LYS 38 HG2 LYS 38 -5.754 -3.121 -7.566 294 HG3 LYS 38 HG3 LYS 38 -7.013 -1.925 -7.883 295 HD2 LYS 38 HD2 LYS 38 -7.746 -3.519 -9.315 296 HD3 LYS 38 HD3 LYS 38 -6.563 -2.768 -10.389 297 HE2 LYS 38 HE2 LYS 38 -5.603 -4.913 -8.579 298 HE3 LYS 38 HE3 LYS 38 -6.627 -5.393 -9.930 299 HZ1 LYS 38 HZ1 LYS 38 -5.014 -3.951 -11.300 300 HZ2 LYS 38 HZ2 LYS 38 -4.519 -5.495 -10.820 301 HZ3 LYS 38 HZ3 LYS 38 -3.966 -4.132 -9.985 302 H LYS 39 H LYS 39 -4.912 1.714 -9.566 303 HA LYS 39 HA LYS 39 -2.223 1.813 -10.181 304 HB2 LYS 39 HB2 LYS 39 -2.621 3.914 -11.134 305 HB3 LYS 39 HB3 LYS 39 -4.188 3.118 -11.206 306 HG2 LYS 39 HG2 LYS 39 -4.923 4.339 -9.241 307 HG3 LYS 39 HG3 LYS 39 -3.339 5.107 -9.109 308 HD2 LYS 39 HD2 LYS 39 -4.875 6.636 -10.166 309 HD3 LYS 39 HD3 LYS 39 -3.684 6.100 -11.355 310 HE2 LYS 39 HE2 LYS 39 -5.309 4.445 -12.190 311 HE3 LYS 39 HE3 LYS 39 -6.497 5.054 -11.039 312 HZ1 LYS 39 HZ1 LYS 39 -6.898 6.864 -12.281 313 HZ2 LYS 39 HZ2 LYS 39 -6.275 5.929 -13.545 314 HZ3 LYS 39 HZ3 LYS 39 -5.285 7.052 -12.756 315 H VAL 40 H VAL 40 -3.917 3.191 -7.430 316 HA VAL 40 HA VAL 40 -1.782 4.794 -6.478 317 HB VAL 40 HB VAL 40 -4.257 3.690 -5.180 318 HG11 VAL 40 HG11 VAL 40 -2.708 3.671 -3.387 319 HG12 VAL 40 HG12 VAL 40 -2.019 5.221 -3.875 320 HG13 VAL 40 HG13 VAL 40 -3.653 5.149 -3.215 321 HG21 VAL 40 HG21 VAL 40 -5.158 5.734 -5.536 322 HG22 VAL 40 HG22 VAL 40 -3.634 6.576 -5.259 323 HG23 VAL 40 HG23 VAL 40 -3.942 5.802 -6.812 324 H LEU 41 H LEU 41 -3.061 1.737 -5.149 325 HA LEU 41 HA LEU 41 -1.069 1.223 -3.322 326 HB2 LEU 41 HB2 LEU 41 -2.842 -0.564 -4.937 327 HB3 LEU 41 HB3 LEU 41 -1.624 -1.254 -3.866 328 HG LEU 41 HG LEU 41 -3.773 -1.232 -2.767 329 HD11 LEU 41 HD11 LEU 41 -1.426 -0.063 -1.759 330 HD12 LEU 41 HD12 LEU 41 -2.737 -0.817 -0.854 331 HD13 LEU 41 HD13 LEU 41 -2.769 0.918 -1.170 332 HD21 LEU 41 HD21 LEU 41 -4.499 0.841 -4.169 333 HD22 LEU 41 HD22 LEU 41 -3.846 1.753 -2.807 334 HD23 LEU 41 HD23 LEU 41 -5.155 0.600 -2.549 335 H GLU 42 H GLU 42 -1.206 0.055 -6.688 336 HA GLU 42 HA GLU 42 1.239 -1.271 -6.722 337 HB2 GLU 42 HB2 GLU 42 -0.369 0.070 -8.880 338 HB3 GLU 42 HB3 GLU 42 1.164 -0.711 -9.238 339 HG2 GLU 42 HG2 GLU 42 -0.076 -2.667 -7.849 340 HG3 GLU 42 HG3 GLU 42 -1.455 -1.878 -8.615 341 H ASN 43 H ASN 43 0.512 2.081 -7.677 342 HA ASN 43 HA ASN 43 3.076 2.853 -8.414 343 HB2 ASN 43 HB2 ASN 43 0.696 4.338 -7.358 344 HB3 ASN 43 HB3 ASN 43 2.223 5.188 -7.581 345 HD21 ASN 43 HD21 ASN 43 1.428 6.486 -9.206 346 HD22 ASN 43 HD22 ASN 43 1.071 5.887 -10.787 347 H TYR 44 H TYR 44 1.540 3.752 -5.324 348 HA TYR 44 HA TYR 44 3.796 4.633 -4.019 349 HB2 TYR 44 HB2 TYR 44 1.248 3.390 -3.034 350 HB3 TYR 44 HB3 TYR 44 2.525 3.808 -1.897 351 HD1 TYR 44 HD1 TYR 44 3.134 6.150 -1.517 352 HD2 TYR 44 HD2 TYR 44 -0.047 5.099 -4.140 353 HE1 TYR 44 HE1 TYR 44 2.330 8.473 -1.461 354 HE2 TYR 44 HE2 TYR 44 -0.859 7.421 -4.094 355 HH TYR 44 HH TYR 44 0.367 9.790 -3.607 356 H LEU 45 H LEU 45 2.612 1.334 -4.365 357 HA LEU 45 HA LEU 45 4.295 0.059 -2.542 358 HB2 LEU 45 HB2 LEU 45 2.450 -1.107 -3.525 359 HB3 LEU 45 HB3 LEU 45 3.119 -0.902 -5.142 360 HG LEU 45 HG LEU 45 5.053 -2.359 -4.366 361 HD11 LEU 45 HD11 LEU 45 5.067 -2.619 -2.127 362 HD12 LEU 45 HD12 LEU 45 3.976 -3.955 -2.490 363 HD13 LEU 45 HD13 LEU 45 3.324 -2.399 -1.979 364 HD21 LEU 45 HD21 LEU 45 3.006 -3.016 -5.774 365 HD22 LEU 45 HD22 LEU 45 2.428 -3.808 -4.308 366 HD23 LEU 45 HD23 LEU 45 3.958 -4.304 -5.034 367 H GLU 46 H GLU 46 4.806 0.846 -5.960 368 HA GLU 46 HA GLU 46 7.326 -0.401 -6.198 369 HB2 GLU 46 HB2 GLU 46 7.310 0.368 -8.330 370 HB3 GLU 46 HB3 GLU 46 5.623 0.701 -7.965 371 HG2 GLU 46 HG2 GLU 46 6.479 3.008 -7.197 372 HG3 GLU 46 HG3 GLU 46 7.928 2.597 -8.113 373 H GLU 47 H GLU 47 6.319 2.654 -4.899 374 HA GLU 47 HA GLU 47 8.766 4.041 -5.049 375 HB2 GLU 47 HB2 GLU 47 6.646 4.336 -2.916 376 HB3 GLU 47 HB3 GLU 47 7.841 5.535 -3.392 377 HG2 GLU 47 HG2 GLU 47 6.790 5.587 -5.648 378 HG3 GLU 47 HG3 GLU 47 5.523 4.533 -5.024 379 H LEU 48 H LEU 48 7.525 1.671 -2.796 380 HA LEU 48 HA LEU 48 9.321 2.065 -0.682 381 HB2 LEU 48 HB2 LEU 48 7.854 -0.371 -1.657 382 HB3 LEU 48 HB3 LEU 48 8.869 -0.392 -0.216 383 HG LEU 48 HG LEU 48 6.902 1.752 -0.162 384 HD11 LEU 48 HD11 LEU 48 4.946 0.647 -0.359 385 HD12 LEU 48 HD12 LEU 48 5.615 -0.871 0.239 386 HD13 LEU 48 HD13 LEU 48 5.889 -0.385 -1.435 387 HD21 LEU 48 HD21 LEU 48 7.458 -0.580 1.670 388 HD22 LEU 48 HD22 LEU 48 6.498 0.848 2.059 389 HD23 LEU 48 HD23 LEU 48 8.230 1.004 1.758 390 H LYS 49 H LYS 49 9.561 0.052 -3.584 391 HA LYS 49 HA LYS 49 12.010 -1.182 -2.942 392 HB2 LYS 49 HB2 LYS 49 10.676 -0.626 -5.591 393 HB3 LYS 49 HB3 LYS 49 12.162 -1.555 -5.442 394 HG2 LYS 49 HG2 LYS 49 10.585 -3.218 -5.497 395 HG3 LYS 49 HG3 LYS 49 10.775 -2.980 -3.759 396 HD2 LYS 49 HD2 LYS 49 8.707 -2.067 -3.521 397 HD3 LYS 49 HD3 LYS 49 8.735 -1.319 -5.120 398 HE2 LYS 49 HE2 LYS 49 7.067 -3.157 -4.873 399 HE3 LYS 49 HE3 LYS 49 8.227 -3.402 -6.177 400 HZ1 LYS 49 HZ1 LYS 49 7.643 -5.162 -4.162 401 HZ2 LYS 49 HZ2 LYS 49 9.147 -4.525 -3.726 402 HZ3 LYS 49 HZ3 LYS 49 8.947 -5.262 -5.235 403 H GLN 50 H GLN 50 11.230 1.953 -4.199 404 HA GLN 50 HA GLN 50 13.794 2.547 -5.290 405 HB2 GLN 50 HB2 GLN 50 11.669 4.470 -4.331 406 HB3 GLN 50 HB3 GLN 50 13.005 4.842 -5.413 407 HG2 GLN 50 HG2 GLN 50 10.978 2.756 -6.121 408 HG3 GLN 50 HG3 GLN 50 10.675 4.468 -6.416 409 HE21 GLN 50 HE21 GLN 50 10.632 2.956 -8.560 410 HE22 GLN 50 HE22 GLN 50 12.064 3.132 -9.510 411 H LYS 51 H LYS 51 15.524 3.592 -4.403 412 HA LYS 51 HA LYS 51 15.686 3.562 -1.507 413 HB2 LYS 51 HB2 LYS 51 18.069 4.021 -1.847 414 HB3 LYS 51 HB3 LYS 51 17.540 2.651 -2.815 415 HG2 LYS 51 HG2 LYS 51 18.730 3.727 -4.402 416 HG3 LYS 51 HG3 LYS 51 17.204 4.585 -4.620 417 HD2 LYS 51 HD2 LYS 51 17.972 6.489 -3.567 418 HD3 LYS 51 HD3 LYS 51 19.192 5.611 -2.642 419 HE2 LYS 51 HE2 LYS 51 19.317 5.949 -5.631 420 HE3 LYS 51 HE3 LYS 51 20.056 7.085 -4.503 421 HZ1 LYS 51 HZ1 LYS 51 21.803 5.704 -4.863 422 HZ2 LYS 51 HZ2 LYS 51 20.838 4.347 -5.161 423 HZ3 LYS 51 HZ3 LYS 51 21.094 4.871 -3.572 424 H SER 52 H SER 52 14.432 5.701 -3.547 425 HA SER 52 HA SER 52 15.694 8.113 -2.561 426 HB2 SER 52 HB2 SER 52 13.191 7.878 -4.242 427 HB3 SER 52 HB3 SER 52 14.220 9.298 -4.049 428 HG SER 52 HG SER 52 14.753 8.305 -5.973 429 H ALA 53 H ALA 53 12.269 7.130 -2.671 430 HA ALA 53 HA ALA 53 11.588 8.823 -0.471 431 HB1 ALA 53 HB1 ALA 53 9.932 8.456 -2.142 432 HB2 ALA 53 HB2 ALA 53 10.036 6.706 -1.947 433 HB3 ALA 53 HB3 ALA 53 9.357 7.697 -0.656 434 H SER 54 H SER 54 11.185 8.315 1.638 435 HA SER 54 HA SER 54 12.459 5.967 2.675 436 HB2 SER 54 HB2 SER 54 11.194 8.405 3.811 437 HB3 SER 54 HB3 SER 54 11.260 6.983 4.852 438 HG SER 54 HG SER 54 13.206 7.719 5.230 439 H VAL 55 H VAL 55 11.491 4.320 3.933 440 HA VAL 55 HA VAL 55 9.254 3.106 2.873 441 HB VAL 55 HB VAL 55 10.737 2.795 5.431 442 HG11 VAL 55 HG11 VAL 55 9.092 0.884 5.959 443 HG12 VAL 55 HG12 VAL 55 8.633 2.531 6.391 444 HG13 VAL 55 HG13 VAL 55 7.961 1.778 4.945 445 HG21 VAL 55 HG21 VAL 55 10.847 1.641 2.938 446 HG22 VAL 55 HG22 VAL 55 11.576 0.992 4.406 447 HG23 VAL 55 HG23 VAL 55 9.984 0.436 3.894 448 HA PRO 56 HA PRO 56 6.571 4.876 6.484 449 HB2 PRO 56 HB2 PRO 56 7.666 6.850 7.993 450 HB3 PRO 56 HB3 PRO 56 7.834 5.135 8.386 451 HG2 PRO 56 HG2 PRO 56 9.767 6.962 7.011 452 HG3 PRO 56 HG3 PRO 56 10.075 5.746 8.264 453 HD2 PRO 56 HD2 PRO 56 10.560 5.290 5.639 454 HD3 PRO 56 HD3 PRO 56 10.055 4.003 6.754 455 H LEU 57 H LEU 57 8.568 6.754 4.422 456 HA LEU 57 HA LEU 57 6.931 9.130 4.512 457 HB2 LEU 57 HB2 LEU 57 9.229 9.480 4.082 458 HB3 LEU 57 HB3 LEU 57 9.248 8.263 2.807 459 HG LEU 57 HG LEU 57 7.946 9.724 1.363 460 HD11 LEU 57 HD11 LEU 57 6.685 10.836 3.199 461 HD12 LEU 57 HD12 LEU 57 7.325 11.946 1.988 462 HD13 LEU 57 HD13 LEU 57 8.128 11.788 3.550 463 HD21 LEU 57 HD21 LEU 57 10.012 10.316 0.760 464 HD22 LEU 57 HD22 LEU 57 10.571 10.395 2.431 465 HD23 LEU 57 HD23 LEU 57 9.744 11.777 1.711 466 H ILE 58 H ILE 58 6.990 6.166 2.771 467 HA ILE 58 HA ILE 58 5.232 7.220 0.679 468 HB ILE 58 HB ILE 58 6.414 4.452 0.927 469 HG12 ILE 58 HG12 ILE 58 7.310 6.603 -0.981 470 HG13 ILE 58 HG13 ILE 58 8.022 6.442 0.620 471 HG21 ILE 58 HG21 ILE 58 5.308 5.730 -1.552 472 HG22 ILE 58 HG22 ILE 58 5.630 4.026 -1.235 473 HG23 ILE 58 HG23 ILE 58 4.281 4.833 -0.434 474 HD11 ILE 58 HD11 ILE 58 8.811 5.146 -1.692 475 HD12 ILE 58 HD12 ILE 58 9.316 4.773 -0.044 476 HD13 ILE 58 HD13 ILE 58 7.958 3.912 -0.766 477 H LEU 59 H LEU 59 5.298 4.887 3.320 478 HA LEU 59 HA LEU 59 2.840 3.645 2.880 479 HB2 LEU 59 HB2 LEU 59 4.507 4.148 5.308 480 HB3 LEU 59 HB3 LEU 59 2.902 3.441 5.480 481 HG LEU 59 HG LEU 59 5.164 2.264 3.866 482 HD11 LEU 59 HD11 LEU 59 4.680 0.488 5.823 483 HD12 LEU 59 HD12 LEU 59 4.334 1.989 6.681 484 HD13 LEU 59 HD13 LEU 59 5.911 1.747 5.929 485 HD21 LEU 59 HD21 LEU 59 3.014 0.487 4.601 486 HD22 LEU 59 HD22 LEU 59 3.699 0.826 3.011 487 HD23 LEU 59 HD23 LEU 59 2.416 1.851 3.654 488 H SER 60 H SER 60 3.522 6.294 5.176 489 HA SER 60 HA SER 60 0.868 6.835 5.838 490 HB2 SER 60 HB2 SER 60 3.458 8.192 6.143 491 HB3 SER 60 HB3 SER 60 2.077 9.287 6.088 492 HG SER 60 HG SER 60 2.022 7.000 7.729 493 H ARG 61 H ARG 61 2.858 8.024 3.190 494 HA ARG 61 HA ARG 61 1.100 10.039 2.290 495 HB2 ARG 61 HB2 ARG 61 3.579 9.568 1.660 496 HB3 ARG 61 HB3 ARG 61 2.896 8.501 0.441 497 HG2 ARG 61 HG2 ARG 61 2.906 10.320 -0.854 498 HG3 ARG 61 HG3 ARG 61 1.454 10.772 0.042 499 HD2 ARG 61 HD2 ARG 61 2.790 12.074 1.595 500 HD3 ARG 61 HD3 ARG 61 4.267 11.573 0.773 501 HE ARG 61 HE ARG 61 2.492 13.662 -0.013 502 HH11 ARG 61 HH11 ARG 61 4.694 11.250 -1.219 503 HH12 ARG 61 HH12 ARG 61 5.055 12.120 -2.674 504 HH21 ARG 61 HH21 ARG 61 2.959 14.816 -1.924 505 HH22 ARG 61 HH22 ARG 61 4.068 14.148 -3.073 506 H MET 62 H MET 62 1.510 6.648 1.313 507 HA MET 62 HA MET 62 -0.290 6.535 -0.773 508 HB2 MET 62 HB2 MET 62 1.238 4.696 0.060 509 HB3 MET 62 HB3 MET 62 0.026 4.353 1.287 510 HG2 MET 62 HG2 MET 62 -1.617 3.925 -0.495 511 HG3 MET 62 HG3 MET 62 -0.354 4.193 -1.693 512 HE1 MET 62 HE1 MET 62 0.452 1.594 1.701 513 HE2 MET 62 HE2 MET 62 -0.965 2.636 1.581 514 HE3 MET 62 HE3 MET 62 -1.102 0.915 1.214 515 H ASN 63 H ASN 63 -0.983 5.834 2.656 516 HA ASN 63 HA ASN 63 -3.701 5.383 2.443 517 HB2 ASN 63 HB2 ASN 63 -2.001 5.357 4.503 518 HB3 ASN 63 HB3 ASN 63 -2.750 6.920 4.810 519 HD21 ASN 63 HD21 ASN 63 -3.756 6.244 6.676 520 HD22 ASN 63 HD22 ASN 63 -5.093 5.150 6.672 521 H LEU 64 H LEU 64 -1.988 8.458 2.802 522 HA LEU 64 HA LEU 64 -4.265 10.093 3.070 523 HB2 LEU 64 HB2 LEU 64 -1.530 10.732 1.977 524 HB3 LEU 64 HB3 LEU 64 -2.757 11.932 2.380 525 HG LEU 64 HG LEU 64 -1.752 10.028 4.463 526 HD11 LEU 64 HD11 LEU 64 0.310 10.849 3.937 527 HD12 LEU 64 HD12 LEU 64 -0.250 12.122 5.022 528 HD13 LEU 64 HD13 LEU 64 -0.332 12.354 3.276 529 HD21 LEU 64 HD21 LEU 64 -3.405 11.161 5.487 530 HD22 LEU 64 HD22 LEU 64 -3.353 12.494 4.332 531 HD23 LEU 64 HD23 LEU 64 -2.179 12.419 5.646 532 H ASP 65 H ASP 65 -2.790 8.589 0.331 533 HA ASP 65 HA ASP 65 -4.140 10.289 -1.593 534 HB2 ASP 65 HB2 ASP 65 -1.813 8.984 -1.768 535 HB3 ASP 65 HB3 ASP 65 -2.864 7.733 -2.424 536 H ILE 66 H ILE 66 -4.370 6.977 -0.373 537 HA ILE 66 HA ILE 66 -6.437 6.132 -2.101 538 HB ILE 66 HB ILE 66 -5.811 5.119 0.674 539 HG12 ILE 66 HG12 ILE 66 -4.861 4.010 -1.969 540 HG13 ILE 66 HG13 ILE 66 -3.902 5.115 -0.991 541 HG21 ILE 66 HG21 ILE 66 -7.285 3.823 -1.615 542 HG22 ILE 66 HG22 ILE 66 -6.889 3.054 -0.078 543 HG23 ILE 66 HG23 ILE 66 -8.003 4.419 -0.119 544 HD11 ILE 66 HD11 ILE 66 -3.872 3.509 0.824 545 HD12 ILE 66 HD12 ILE 66 -4.885 2.411 -0.114 546 HD13 ILE 66 HD13 ILE 66 -3.251 2.788 -0.660 547 H SER 67 H SER 67 -6.467 7.581 1.127 548 HA SER 67 HA SER 67 -9.128 7.324 1.785 549 HB2 SER 67 HB2 SER 67 -7.315 8.322 3.220 550 HB3 SER 67 HB3 SER 67 -7.484 9.813 2.295 551 HG SER 67 HG SER 67 -8.932 10.214 3.784 552 H LYS 68 H LYS 68 -7.614 9.907 -0.130 553 HA LYS 68 HA LYS 68 -9.982 11.361 -0.609 554 HB2 LYS 68 HB2 LYS 68 -8.652 12.768 -1.774 555 HB3 LYS 68 HB3 LYS 68 -7.350 11.816 -1.073 556 HG2 LYS 68 HG2 LYS 68 -7.441 10.373 -3.129 557 HG3 LYS 68 HG3 LYS 68 -8.535 11.571 -3.825 558 HD2 LYS 68 HD2 LYS 68 -5.836 12.310 -2.723 559 HD3 LYS 68 HD3 LYS 68 -6.060 11.789 -4.395 560 HE2 LYS 68 HE2 LYS 68 -7.448 13.635 -4.885 561 HE3 LYS 68 HE3 LYS 68 -7.645 14.037 -3.179 562 HZ1 LYS 68 HZ1 LYS 68 -4.906 14.062 -3.861 563 HZ2 LYS 68 HZ2 LYS 68 -5.865 15.326 -3.277 564 HZ3 LYS 68 HZ3 LYS 68 -5.760 15.044 -4.942 565 H ALA 69 H ALA 69 -8.515 8.619 -2.210 566 HA ALA 69 HA ALA 69 -10.044 8.717 -4.592 567 HB1 ALA 69 HB1 ALA 69 -8.924 6.852 -5.188 568 HB2 ALA 69 HB2 ALA 69 -7.908 7.277 -3.810 569 HB3 ALA 69 HB3 ALA 69 -9.180 6.069 -3.629 570 H ILE 70 H ILE 70 -10.788 7.750 -1.385 571 HA ILE 70 HA ILE 70 -12.805 5.850 -1.880 572 HB ILE 70 HB ILE 70 -12.703 7.774 0.443 573 HG12 ILE 70 HG12 ILE 70 -11.327 5.104 0.077 574 HG13 ILE 70 HG13 ILE 70 -10.542 6.673 0.215 575 HG21 ILE 70 HG21 ILE 70 -13.601 5.061 0.946 576 HG22 ILE 70 HG22 ILE 70 -14.364 6.597 1.350 577 HG23 ILE 70 HG23 ILE 70 -14.602 5.890 -0.247 578 HD11 ILE 70 HD11 ILE 70 -11.566 6.846 2.509 579 HD12 ILE 70 HD12 ILE 70 -12.016 5.149 2.337 580 HD13 ILE 70 HD13 ILE 70 -10.316 5.619 2.306 581 H ARG 71 H ARG 71 -13.340 9.181 -0.727 582 HA ARG 71 HA ARG 71 -16.039 9.294 -1.398 583 HB2 ARG 71 HB2 ARG 71 -15.100 10.911 0.112 584 HB3 ARG 71 HB3 ARG 71 -13.995 11.498 -1.123 585 HG2 ARG 71 HG2 ARG 71 -15.870 12.370 -2.407 586 HG3 ARG 71 HG3 ARG 71 -16.994 11.756 -1.194 587 HD2 ARG 71 HD2 ARG 71 -14.793 13.710 -0.563 588 HD3 ARG 71 HD3 ARG 71 -16.418 14.209 -1.030 589 HE ARG 71 HE ARG 71 -15.594 13.271 1.522 590 HH11 ARG 71 HH11 ARG 71 -18.262 13.244 -0.714 591 HH12 ARG 71 HH12 ARG 71 -19.463 13.040 0.518 592 HH21 ARG 71 HH21 ARG 71 -17.165 13.003 3.154 593 HH22 ARG 71 HH22 ARG 71 -18.837 12.903 2.718 594 H ASN 72 H ASN 72 -13.210 9.718 -3.363 595 HA ASN 72 HA ASN 72 -14.151 11.219 -5.478 596 HB2 ASN 72 HB2 ASN 72 -12.035 9.220 -5.088 597 HB3 ASN 72 HB3 ASN 72 -12.609 9.337 -6.749 598 HD21 ASN 72 HD21 ASN 72 -12.285 11.813 -4.243 599 HD22 ASN 72 HD22 ASN 72 -11.195 12.816 -5.131 600 H ASP 73 H ASP 73 -13.868 7.686 -5.752 601 HA ASP 73 HA ASP 73 -16.209 7.695 -7.510 602 HB2 ASP 73 HB2 ASP 73 -14.042 5.651 -7.005 603 HB3 ASP 73 HB3 ASP 73 -15.464 5.318 -7.991 604 H GLY 74 H GLY 74 -16.201 7.836 -4.478 605 HA2 GLY 74 HA2 GLY 74 -17.390 6.953 -2.720 606 HA3 GLY 74 HA3 GLY 74 -18.534 6.454 -3.957 607 H VAL 75 H VAL 75 -15.209 5.328 -3.601 608 HA VAL 75 HA VAL 75 -16.094 2.589 -3.663 609 HB VAL 75 HB VAL 75 -13.296 3.631 -3.213 610 HG11 VAL 75 HG11 VAL 75 -14.341 0.954 -4.124 611 HG12 VAL 75 HG12 VAL 75 -12.640 1.423 -4.114 612 HG13 VAL 75 HG13 VAL 75 -13.534 1.310 -2.598 613 HG21 VAL 75 HG21 VAL 75 -12.956 3.382 -5.604 614 HG22 VAL 75 HG22 VAL 75 -14.630 2.868 -5.810 615 HG23 VAL 75 HG23 VAL 75 -14.271 4.516 -5.293 616 H THR 76 H THR 76 -16.437 1.281 -1.988 617 HA THR 76 HA THR 76 -15.803 2.273 0.699 618 HB THR 76 HB THR 76 -17.610 -0.040 -0.011 619 HG1 THR 76 HG1 THR 76 -18.143 2.274 -0.755 620 HG21 THR 76 HG21 THR 76 -17.920 -0.286 2.187 621 HG22 THR 76 HG22 THR 76 -18.203 1.442 2.403 622 HG23 THR 76 HG23 THR 76 -16.557 0.808 2.425 623 H LEU 77 H LEU 77 -14.274 1.351 1.904 624 HA LEU 77 HA LEU 77 -12.687 -0.782 0.848 625 HB2 LEU 77 HB2 LEU 77 -12.580 0.342 3.636 626 HB3 LEU 77 HB3 LEU 77 -11.298 -0.487 2.757 627 HG LEU 77 HG LEU 77 -12.127 1.874 1.332 628 HD11 LEU 77 HD11 LEU 77 -11.147 3.461 3.054 629 HD12 LEU 77 HD12 LEU 77 -11.437 2.188 4.238 630 HD13 LEU 77 HD13 LEU 77 -12.789 2.886 3.346 631 HD21 LEU 77 HD21 LEU 77 -9.645 0.650 2.414 632 HD22 LEU 77 HD22 LEU 77 -9.608 2.359 1.982 633 HD23 LEU 77 HD23 LEU 77 -10.037 1.151 0.770 634 H SER 78 H SER 78 -12.836 -2.901 1.214 635 HA SER 78 HA SER 78 -15.044 -3.953 2.688 636 HB2 SER 78 HB2 SER 78 -14.165 -5.030 0.635 637 HB3 SER 78 HB3 SER 78 -12.675 -5.418 1.496 638 HG SER 78 HG SER 78 -15.284 -6.407 1.956 639 H ASP 79 H ASP 79 -14.634 -5.851 4.236 640 HA ASP 79 HA ASP 79 -13.564 -4.924 6.601 641 HB2 ASP 79 HB2 ASP 79 -15.077 -6.989 6.109 642 HB3 ASP 79 HB3 ASP 79 -13.553 -7.863 5.991 643 H TYR 80 H TYR 80 -12.070 -7.411 4.520 644 HA TYR 80 HA TYR 80 -9.636 -7.553 5.856 645 HB2 TYR 80 HB2 TYR 80 -8.741 -8.526 3.775 646 HB3 TYR 80 HB3 TYR 80 -10.312 -9.203 4.190 647 HD1 TYR 80 HD2 TYR 80 -12.282 -8.695 2.842 648 HD2 TYR 80 HD1 TYR 80 -8.461 -7.131 1.816 649 HE1 TYR 80 HE2 TYR 80 -13.127 -8.116 0.607 650 HE2 TYR 80 HE1 TYR 80 -9.295 -6.547 -0.423 651 HH TYR 80 HH TYR 80 -11.635 -6.026 -1.437 652 H GLN 81 H GLN 81 -10.718 -5.350 3.335 653 HA GLN 81 HA GLN 81 -8.273 -4.192 2.660 654 HB2 GLN 81 HB2 GLN 81 -11.113 -3.463 2.415 655 HB3 GLN 81 HB3 GLN 81 -10.006 -2.097 2.426 656 HG2 GLN 81 HG2 GLN 81 -8.746 -3.693 0.674 657 HG3 GLN 81 HG3 GLN 81 -10.413 -4.194 0.400 658 HE21 GLN 81 HE21 GLN 81 -9.337 -3.131 -1.697 659 HE22 GLN 81 HE22 GLN 81 -9.831 -1.495 -1.954 660 H SER 82 H SER 82 -10.703 -2.477 4.606 661 HA SER 82 HA SER 82 -9.023 -0.606 5.715 662 HB2 SER 82 HB2 SER 82 -11.472 -0.509 5.908 663 HB3 SER 82 HB3 SER 82 -11.441 -1.870 7.028 664 HG SER 82 HG SER 82 -10.468 -0.613 8.541 665 H LYS 83 H LYS 83 -9.547 -3.922 6.699 666 HA LYS 83 HA LYS 83 -8.295 -3.772 9.230 667 HB2 LYS 83 HB2 LYS 83 -8.979 -5.990 7.340 668 HB3 LYS 83 HB3 LYS 83 -7.938 -6.324 8.719 669 HG2 LYS 83 HG2 LYS 83 -9.641 -5.659 10.254 670 HG3 LYS 83 HG3 LYS 83 -10.663 -5.066 8.943 671 HD2 LYS 83 HD2 LYS 83 -11.539 -7.176 9.560 672 HD3 LYS 83 HD3 LYS 83 -10.666 -7.432 8.047 673 HE2 LYS 83 HE2 LYS 83 -9.254 -7.831 10.648 674 HE3 LYS 83 HE3 LYS 83 -10.355 -9.076 10.062 675 HZ1 LYS 83 HZ1 LYS 83 -8.662 -9.812 8.855 676 HZ2 LYS 83 HZ2 LYS 83 -7.716 -8.451 9.194 677 HZ3 LYS 83 HZ3 LYS 83 -8.804 -8.423 7.898 678 H LYS 84 H LYS 84 -7.083 -4.640 6.012 679 HA LYS 84 HA LYS 84 -4.458 -5.281 6.819 680 HB2 LYS 84 HB2 LYS 84 -4.007 -5.560 4.593 681 HB3 LYS 84 HB3 LYS 84 -5.763 -5.626 4.536 682 HG2 LYS 84 HG2 LYS 84 -5.454 -4.137 2.873 683 HG3 LYS 84 HG3 LYS 84 -5.432 -2.996 4.219 684 HD2 LYS 84 HD2 LYS 84 -2.878 -3.493 4.249 685 HD3 LYS 84 HD3 LYS 84 -3.152 -4.071 2.605 686 HE2 LYS 84 HE2 LYS 84 -4.487 -1.675 2.630 687 HE3 LYS 84 HE3 LYS 84 -3.093 -1.345 3.658 688 HZ1 LYS 84 HZ1 LYS 84 -2.838 -0.948 1.177 689 HZ2 LYS 84 HZ2 LYS 84 -2.795 -2.631 1.013 690 HZ3 LYS 84 HZ3 LYS 84 -1.619 -1.841 1.939 691 H LEU 85 H LEU 85 -6.074 -2.275 6.353 692 HA LEU 85 HA LEU 85 -3.831 -0.635 5.826 693 HB2 LEU 85 HB2 LEU 85 -6.475 -0.226 5.794 694 HB3 LEU 85 HB3 LEU 85 -6.102 0.477 7.366 695 HG LEU 85 HG LEU 85 -4.430 1.372 5.096 696 HD11 LEU 85 HD11 LEU 85 -7.036 1.202 4.502 697 HD12 LEU 85 HD12 LEU 85 -5.997 2.507 3.929 698 HD13 LEU 85 HD13 LEU 85 -7.028 2.755 5.338 699 HD21 LEU 85 HD21 LEU 85 -5.768 3.302 6.838 700 HD22 LEU 85 HD22 LEU 85 -4.058 3.124 6.438 701 HD23 LEU 85 HD23 LEU 85 -4.779 2.123 7.701 702 H LYS 86 H LYS 86 -5.294 -1.837 8.777 703 HA LYS 86 HA LYS 86 -3.818 -0.151 10.545 704 HB2 LYS 86 HB2 LYS 86 -4.920 -2.822 11.350 705 HB3 LYS 86 HB3 LYS 86 -4.816 -1.339 12.290 706 HG2 LYS 86 HG2 LYS 86 -6.463 -0.588 10.255 707 HG3 LYS 86 HG3 LYS 86 -6.910 -2.281 10.482 708 HD2 LYS 86 HD2 LYS 86 -8.319 -1.052 11.921 709 HD3 LYS 86 HD3 LYS 86 -7.077 -1.753 12.960 710 HE2 LYS 86 HE2 LYS 86 -5.843 0.498 12.557 711 HE3 LYS 86 HE3 LYS 86 -7.436 1.085 12.081 712 HZ1 LYS 86 HZ1 LYS 86 -8.300 0.548 14.217 713 HZ2 LYS 86 HZ2 LYS 86 -6.886 1.443 14.457 714 HZ3 LYS 86 HZ3 LYS 86 -6.873 -0.235 14.678 715 H GLU 87 H GLU 87 -2.897 -2.707 8.612 716 HA GLU 87 HA GLU 87 -1.074 -4.068 10.297 717 HB2 GLU 87 HB2 GLU 87 -1.101 -3.774 7.288 718 HB3 GLU 87 HB3 GLU 87 -0.086 -4.901 8.177 719 HG2 GLU 87 HG2 GLU 87 -3.075 -4.929 8.405 720 HG3 GLU 87 HG3 GLU 87 -2.218 -5.812 7.144 721 H LEU 88 H LEU 88 -0.112 -2.139 7.476 722 HA LEU 88 HA LEU 88 2.453 -1.576 8.520 723 HB2 LEU 88 HB2 LEU 88 2.451 0.174 6.646 724 HB3 LEU 88 HB3 LEU 88 2.327 -1.528 6.207 725 HG LEU 88 HG LEU 88 0.838 0.230 5.010 726 HD11 LEU 88 HD11 LEU 88 -0.118 -1.610 4.230 727 HD12 LEU 88 HD12 LEU 88 -1.025 -1.818 5.729 728 HD13 LEU 88 HD13 LEU 88 0.588 -2.513 5.571 729 HD21 LEU 88 HD21 LEU 88 -0.874 -0.296 7.430 730 HD22 LEU 88 HD22 LEU 88 -1.242 0.737 6.049 731 HD23 LEU 88 HD23 LEU 88 0.033 1.196 7.181 732 H THR 89 H THR 89 -0.497 -0.363 9.407 733 HA THR 89 HA THR 89 0.003 2.387 9.744 734 HB THR 89 HB THR 89 -2.191 0.860 10.088 735 HG1 THR 89 HG1 THR 89 -1.520 3.429 11.067 736 HG21 THR 89 HG21 THR 89 -2.806 0.594 12.335 737 HG22 THR 89 HG22 THR 89 -1.519 1.655 12.907 738 HG23 THR 89 HG23 THR 89 -1.130 0.052 12.284 739 H SER 90 H SER 90 1.030 -0.394 11.525 740 HA SER 90 HA SER 90 1.665 1.012 13.946 741 HB2 SER 90 HB2 SER 90 1.145 -1.464 13.783 742 HB3 SER 90 HB3 SER 90 2.744 -1.671 13.071 743 HG SER 90 HG SER 90 2.087 -0.752 15.666 744 H ILE 91 H ILE 91 3.513 -0.223 11.183 745 HA ILE 91 HA ILE 91 6.056 0.549 12.116 746 HB ILE 91 HB ILE 91 5.194 0.318 9.234 747 HG12 ILE 91 HG12 ILE 91 6.238 -1.815 11.109 748 HG13 ILE 91 HG13 ILE 91 4.590 -1.700 10.501 749 HG21 ILE 91 HG21 ILE 91 7.841 -0.587 9.736 750 HG22 ILE 91 HG22 ILE 91 7.308 0.763 8.735 751 HG23 ILE 91 HG23 ILE 91 7.655 1.016 10.446 752 HD11 ILE 91 HD11 ILE 91 5.458 -2.003 8.212 753 HD12 ILE 91 HD12 ILE 91 7.073 -2.228 8.888 754 HD13 ILE 91 HD13 ILE 91 5.787 -3.374 9.272 755 H SER 92 H SER 92 3.494 2.312 10.575 756 HA SER 92 HA SER 92 5.067 4.514 9.682 757 HB2 SER 92 HB2 SER 92 2.111 4.537 10.319 758 HB3 SER 92 HB3 SER 92 2.979 5.608 9.220 759 HG SER 92 HG SER 92 2.040 4.075 7.955 760 H ASN 93 H ASN 93 5.797 6.228 10.766 761 HA ASN 93 HA ASN 93 5.467 6.356 13.614 762 HB2 ASN 93 HB2 ASN 93 7.621 6.915 12.662 763 HB3 ASN 93 HB3 ASN 93 6.898 8.179 11.670 764 HD21 ASN 93 HD21 ASN 93 7.340 10.116 12.399 765 HD22 ASN 93 HD22 ASN 93 7.470 10.581 14.059 766 H ILE 94 H ILE 94 4.025 7.883 10.863 767 HA ILE 94 HA ILE 94 2.943 10.118 12.318 768 HB ILE 94 HB ILE 94 2.047 9.099 9.625 769 HG12 ILE 94 HG12 ILE 94 3.689 11.207 9.084 770 HG13 ILE 94 HG13 ILE 94 4.522 10.475 10.450 771 HG21 ILE 94 HG21 ILE 94 1.161 11.200 11.282 772 HG22 ILE 94 HG22 ILE 94 2.017 11.938 9.929 773 HG23 ILE 94 HG23 ILE 94 0.671 10.840 9.626 774 HD11 ILE 94 HD11 ILE 94 5.493 9.211 8.887 775 HD12 ILE 94 HD12 ILE 94 3.983 8.299 8.921 776 HD13 ILE 94 HD13 ILE 94 4.235 9.542 7.696 777 H ARG 95 H ARG 95 2.094 8.496 13.988 778 HA ARG 95 HA ARG 95 -0.147 6.887 13.422 779 HB2 ARG 95 HB2 ARG 95 0.603 8.212 16.034 780 HB3 ARG 95 HB3 ARG 95 -0.513 6.866 15.843 781 HG2 ARG 95 HG2 ARG 95 1.603 5.763 14.690 782 HG3 ARG 95 HG3 ARG 95 2.445 6.910 15.733 783 HD2 ARG 95 HD2 ARG 95 0.594 5.858 17.437 784 HD3 ARG 95 HD3 ARG 95 0.967 4.473 16.411 785 HE ARG 95 HE ARG 95 2.995 4.329 17.441 786 HH11 ARG 95 HH11 ARG 95 1.727 7.535 17.928 787 HH12 ARG 95 HH12 ARG 95 3.005 8.020 18.992 788 HH21 ARG 95 HH21 ARG 95 4.683 4.957 18.842 789 HH22 ARG 95 HH22 ARG 95 4.686 6.554 19.511 790 H TYR 96 H TYR 96 -0.191 9.881 15.353 791 HA TYR 96 HA TYR 96 -2.926 10.318 15.189 792 HB2 TYR 96 HB2 TYR 96 -0.603 12.173 15.645 793 HB3 TYR 96 HB3 TYR 96 -2.256 12.778 15.610 794 HD1 TYR 96 HD2 TYR 96 -3.940 11.578 17.202 795 HD2 TYR 96 HD1 TYR 96 0.288 11.405 17.645 796 HE1 TYR 96 HE2 TYR 96 -4.219 10.966 19.567 797 HE2 TYR 96 HE1 TYR 96 0.021 10.791 20.012 798 HH TYR 96 HH TYR 96 -2.658 11.234 21.735 799 H GLY 97 H GLY 97 -3.918 12.333 14.131 800 HA2 GLY 97 HA2 GLY 97 -3.272 12.196 11.273 801 HA3 GLY 97 HA3 GLY 97 -4.786 12.764 11.962 802 H TYR 98 H TYR 98 -1.482 13.718 12.811 803 HA TYR 98 HA TYR 98 -2.011 16.383 11.696 804 HB2 TYR 98 HB2 TYR 98 -0.912 15.836 14.461 805 HB3 TYR 98 HB3 TYR 98 -1.042 17.424 13.714 806 HD1 TYR 98 HD2 TYR 98 -3.382 18.249 13.088 807 HD2 TYR 98 HD1 TYR 98 -2.702 14.939 15.672 808 HE1 TYR 98 HE2 TYR 98 -5.662 18.484 13.978 809 HE2 TYR 98 HE1 TYR 98 -4.982 15.163 16.569 810 HH TYR 98 HH TYR 98 -6.732 16.777 16.767 Start of MODEL 10 1 H1 MET 1 H MET 1 10.106 -35.127 6.754 2 HA MET 1 HA MET 1 7.988 -36.783 5.578 3 HB2 MET 1 HB2 MET 1 10.301 -37.678 7.224 4 HB3 MET 1 HB3 MET 1 8.745 -38.444 7.518 5 HG2 MET 1 HG2 MET 1 8.612 -39.065 5.154 6 HG3 MET 1 HG3 MET 1 10.185 -38.318 4.879 7 HE1 MET 1 HE1 MET 1 12.345 -39.341 5.209 8 HE2 MET 1 HE2 MET 1 12.230 -39.183 6.962 9 HE3 MET 1 HE3 MET 1 12.727 -40.716 6.245 10 H GLY 2 H GLY 2 6.098 -36.581 6.603 11 HA2 GLY 2 HA2 GLY 2 4.860 -36.607 8.701 12 HA3 GLY 2 HA3 GLY 2 6.129 -35.604 9.388 13 H LYS 3 H LYS 3 5.650 -33.531 9.599 14 HA LYS 3 HA LYS 3 4.068 -32.181 7.561 15 HB2 LYS 3 HB2 LYS 3 3.162 -32.685 10.353 16 HB3 LYS 3 HB3 LYS 3 2.805 -31.114 9.649 17 HG2 LYS 3 HG2 LYS 3 2.084 -33.711 8.321 18 HG3 LYS 3 HG3 LYS 3 1.006 -32.847 9.420 19 HD2 LYS 3 HD2 LYS 3 0.641 -31.141 7.939 20 HD3 LYS 3 HD3 LYS 3 2.213 -31.335 7.160 21 HE2 LYS 3 HE2 LYS 3 1.479 -33.067 5.817 22 HE3 LYS 3 HE3 LYS 3 0.159 -33.490 6.907 23 HZ1 LYS 3 HZ1 LYS 3 0.269 -31.445 4.828 24 HZ2 LYS 3 HZ2 LYS 3 -0.621 -31.078 6.219 25 HZ3 LYS 3 HZ3 LYS 3 -1.015 -32.442 5.298 26 H LEU 4 H LEU 4 3.878 -29.764 8.163 27 HA LEU 4 HA LEU 4 6.326 -28.878 9.535 28 HB2 LEU 4 HB2 LEU 4 6.906 -27.410 7.834 29 HB3 LEU 4 HB3 LEU 4 6.415 -28.870 6.977 30 HG LEU 4 HG LEU 4 4.670 -26.437 7.348 31 HD11 LEU 4 HD11 LEU 4 6.136 -27.315 4.869 32 HD12 LEU 4 HD12 LEU 4 6.694 -26.035 5.946 33 HD13 LEU 4 HD13 LEU 4 5.164 -25.860 5.086 34 HD21 LEU 4 HD21 LEU 4 4.285 -29.122 6.194 35 HD22 LEU 4 HD22 LEU 4 3.677 -27.774 5.234 36 HD23 LEU 4 HD23 LEU 4 3.112 -28.003 6.888 37 H LYS 5 H LYS 5 6.227 -26.843 10.536 38 HA LYS 5 HA LYS 5 3.526 -25.693 10.774 39 HB2 LYS 5 HB2 LYS 5 5.480 -26.467 12.897 40 HB3 LYS 5 HB3 LYS 5 4.434 -25.080 13.174 41 HG2 LYS 5 HG2 LYS 5 3.301 -27.715 12.317 42 HG3 LYS 5 HG3 LYS 5 3.678 -27.388 14.010 43 HD2 LYS 5 HD2 LYS 5 2.205 -25.448 13.979 44 HD3 LYS 5 HD3 LYS 5 1.860 -25.721 12.270 45 HE2 LYS 5 HE2 LYS 5 0.029 -26.659 13.371 46 HE3 LYS 5 HE3 LYS 5 1.059 -28.044 13.007 47 HZ1 LYS 5 HZ1 LYS 5 1.823 -27.037 15.496 48 HZ2 LYS 5 HZ2 LYS 5 1.089 -28.522 15.154 49 HZ3 LYS 5 HZ3 LYS 5 0.136 -27.169 15.507 50 H TRP 6 H TRP 6 3.497 -23.698 9.997 51 HA TRP 6 HA TRP 6 5.922 -22.185 9.650 52 HB2 TRP 6 HB2 TRP 6 3.731 -22.273 8.170 53 HB3 TRP 6 HB3 TRP 6 3.219 -20.974 9.244 54 HD1 TRP 6 HD1 TRP 6 6.262 -21.770 6.960 55 HE1 TRP 6 HE1 TRP 6 7.071 -19.554 5.928 56 HE3 TRP 6 HE3 TRP 6 3.039 -18.561 9.296 57 HZ2 TRP 6 HZ2 TRP 6 6.428 -16.811 6.085 58 HZ3 TRP 6 HZ3 TRP 6 3.203 -16.156 8.801 59 HH2 TRP 6 HH2 TRP 6 4.863 -15.301 7.228 60 H PHE 7 H PHE 7 6.796 -20.927 11.144 61 HA PHE 7 HA PHE 7 5.246 -20.135 13.471 62 HB2 PHE 7 HB2 PHE 7 7.441 -21.014 13.916 63 HB3 PHE 7 HB3 PHE 7 8.180 -19.874 12.796 64 HD1 PHE 7 HD1 PHE 7 6.127 -19.945 15.903 65 HD2 PHE 7 HD2 PHE 7 9.103 -17.933 13.620 66 HE1 PHE 7 HE1 PHE 7 6.468 -18.358 17.752 67 HE2 PHE 7 HE2 PHE 7 9.449 -16.344 15.465 68 HZ PHE 7 HZ PHE 7 8.132 -16.554 17.535 69 H SER 8 H SER 8 4.295 -18.226 13.664 70 HA SER 8 HA SER 8 4.401 -16.251 11.657 71 HB2 SER 8 HB2 SER 8 3.508 -15.594 14.442 72 HB3 SER 8 HB3 SER 8 2.809 -15.100 12.900 73 HG SER 8 HG SER 8 1.888 -17.081 12.676 74 H GLY 9 H GLY 9 5.788 -14.645 11.310 75 HA2 GLY 9 HA2 GLY 9 7.237 -13.447 13.536 76 HA3 GLY 9 HA3 GLY 9 8.217 -14.256 12.321 77 H GLY 10 H GLY 10 8.909 -13.065 10.668 78 HA2 GLY 10 HA2 GLY 10 8.962 -11.417 9.052 79 HA3 GLY 10 HA3 GLY 10 7.307 -11.007 9.477 80 H LYS 11 H LYS 11 10.647 -10.690 10.647 81 HA LYS 11 HA LYS 11 10.012 -8.514 12.396 82 HB2 LYS 11 HB2 LYS 11 12.479 -8.313 12.633 83 HB3 LYS 11 HB3 LYS 11 11.881 -9.940 12.935 84 HG2 LYS 11 HG2 LYS 11 12.602 -9.564 10.159 85 HG3 LYS 11 HG3 LYS 11 13.950 -9.216 11.245 86 HD2 LYS 11 HD2 LYS 11 13.032 -11.483 12.362 87 HD3 LYS 11 HD3 LYS 11 12.565 -11.767 10.685 88 HE2 LYS 11 HE2 LYS 11 15.337 -11.047 11.635 89 HE3 LYS 11 HE3 LYS 11 14.795 -12.666 11.196 90 HZ1 LYS 11 HZ1 LYS 11 14.143 -11.382 8.994 91 HZ2 LYS 11 HZ2 LYS 11 15.683 -12.041 9.228 92 HZ3 LYS 11 HZ3 LYS 11 15.421 -10.388 9.486 93 H GLU 12 H GLU 12 10.995 -8.832 9.078 94 HA GLU 12 HA GLU 12 11.926 -6.176 8.705 95 HB2 GLU 12 HB2 GLU 12 10.748 -7.985 6.596 96 HB3 GLU 12 HB3 GLU 12 11.869 -6.653 6.353 97 HG2 GLU 12 HG2 GLU 12 13.550 -7.932 7.686 98 HG3 GLU 12 HG3 GLU 12 12.430 -9.293 7.677 99 H ARG 13 H ARG 13 10.611 -4.532 9.235 100 HA ARG 13 HA ARG 13 7.778 -4.616 8.814 101 HB2 ARG 13 HB2 ARG 13 9.681 -2.460 9.715 102 HB3 ARG 13 HB3 ARG 13 7.968 -2.149 9.472 103 HG2 ARG 13 HG2 ARG 13 9.007 -4.292 11.306 104 HG3 ARG 13 HG3 ARG 13 8.665 -2.642 11.831 105 HD2 ARG 13 HD2 ARG 13 6.338 -2.976 10.881 106 HD3 ARG 13 HD3 ARG 13 6.743 -4.687 10.748 107 HE ARG 13 HE ARG 13 6.048 -3.270 13.125 108 HH11 ARG 13 HH11 ARG 13 7.941 -5.916 11.885 109 HH12 ARG 13 HH12 ARG 13 7.935 -6.792 13.380 110 HH21 ARG 13 HH21 ARG 13 6.033 -4.414 15.097 111 HH22 ARG 13 HH22 ARG 13 6.848 -5.937 15.207 112 H SER 14 H SER 14 10.536 -3.417 7.060 113 HA SER 14 HA SER 14 9.167 -1.642 5.331 114 HB2 SER 14 HB2 SER 14 11.260 -2.223 3.828 115 HB3 SER 14 HB3 SER 14 11.449 -1.271 5.300 116 HG SER 14 HG SER 14 12.939 -3.092 5.014 117 H ASN 15 H ASN 15 10.166 -5.033 4.964 118 HA ASN 15 HA ASN 15 9.057 -5.331 2.365 119 HB2 ASN 15 HB2 ASN 15 10.173 -7.167 4.435 120 HB3 ASN 15 HB3 ASN 15 9.194 -7.867 3.150 121 HD21 ASN 15 HD21 ASN 15 11.759 -5.433 3.480 122 HD22 ASN 15 HD22 ASN 15 12.698 -5.997 2.145 123 H GLN 16 H GLN 16 7.734 -5.411 5.537 124 HA GLN 16 HA GLN 16 5.533 -7.094 5.179 125 HB2 GLN 16 HB2 GLN 16 6.499 -5.685 7.264 126 HB3 GLN 16 HB3 GLN 16 5.131 -4.668 6.829 127 HG2 GLN 16 HG2 GLN 16 4.608 -7.565 7.032 128 HG3 GLN 16 HG3 GLN 16 4.958 -6.713 8.535 129 HE21 GLN 16 HE21 GLN 16 2.498 -7.856 6.943 130 HE22 GLN 16 HE22 GLN 16 1.297 -6.648 7.225 131 H ALA 17 H ALA 17 5.693 -3.547 4.858 132 HA ALA 17 HA ALA 17 3.101 -3.081 4.025 133 HB1 ALA 17 HB1 ALA 17 4.415 -1.197 2.616 134 HB2 ALA 17 HB2 ALA 17 4.109 -1.091 4.350 135 HB3 ALA 17 HB3 ALA 17 5.670 -1.665 3.764 136 H GLU 18 H GLU 18 5.949 -3.678 1.965 137 HA GLU 18 HA GLU 18 4.708 -3.560 -0.506 138 HB2 GLU 18 HB2 GLU 18 7.160 -3.747 -0.128 139 HB3 GLU 18 HB3 GLU 18 6.938 -5.443 0.278 140 HG2 GLU 18 HG2 GLU 18 5.772 -5.493 -2.089 141 HG3 GLU 18 HG3 GLU 18 6.801 -4.087 -2.356 142 H ASN 19 H ASN 19 4.959 -6.284 1.733 143 HA ASN 19 HA ASN 19 3.800 -8.219 0.034 144 HB2 ASN 19 HB2 ASN 19 5.091 -8.850 2.009 145 HB3 ASN 19 HB3 ASN 19 3.892 -8.098 3.056 146 HD21 ASN 19 HD21 ASN 19 3.526 -10.036 4.135 147 HD22 ASN 19 HD22 ASN 19 2.629 -11.328 3.419 148 H ILE 20 H ILE 20 2.424 -6.061 2.481 149 HA ILE 20 HA ILE 20 -0.197 -7.043 2.439 150 HB ILE 20 HB ILE 20 0.726 -4.213 2.955 151 HG12 ILE 20 HG12 ILE 20 -0.036 -6.182 5.079 152 HG13 ILE 20 HG13 ILE 20 1.573 -6.266 4.367 153 HG21 ILE 20 HG21 ILE 20 -1.384 -3.944 4.155 154 HG22 ILE 20 HG22 ILE 20 -1.659 -4.327 2.457 155 HG23 ILE 20 HG23 ILE 20 -1.864 -5.575 3.686 156 HD11 ILE 20 HD11 ILE 20 1.063 -4.841 6.528 157 HD12 ILE 20 HD12 ILE 20 2.246 -4.324 5.328 158 HD13 ILE 20 HD13 ILE 20 0.626 -3.629 5.325 159 H ILE 21 H ILE 21 0.991 -4.075 0.850 160 HA ILE 21 HA ILE 21 -1.231 -3.505 -0.668 161 HB ILE 21 HB ILE 21 1.649 -3.106 -1.489 162 HG12 ILE 21 HG12 ILE 21 -0.239 -1.184 -0.115 163 HG13 ILE 21 HG13 ILE 21 0.986 -2.130 0.724 164 HG21 ILE 21 HG21 ILE 21 -0.924 -2.305 -2.688 165 HG22 ILE 21 HG22 ILE 21 0.317 -1.056 -2.607 166 HG23 ILE 21 HG23 ILE 21 0.647 -2.574 -3.442 167 HD11 ILE 21 HD11 ILE 21 2.135 -0.200 0.450 168 HD12 ILE 21 HD12 ILE 21 2.553 -0.978 -1.077 169 HD13 ILE 21 HD13 ILE 21 1.276 0.236 -1.026 170 H THR 22 H THR 22 1.574 -5.462 -1.666 171 HA THR 22 HA THR 22 0.689 -6.139 -4.214 172 HB THR 22 HB THR 22 2.366 -7.814 -2.336 173 HG1 THR 22 HG1 THR 22 3.303 -6.201 -4.467 174 HG21 THR 22 HG21 THR 22 2.105 -9.383 -3.926 175 HG22 THR 22 HG22 THR 22 3.188 -8.375 -4.887 176 HG23 THR 22 HG23 THR 22 1.442 -8.231 -5.084 177 H ASP 23 H ASP 23 -0.106 -7.532 -1.092 178 HA ASP 23 HA ASP 23 -1.303 -9.910 -1.928 179 HB2 ASP 23 HB2 ASP 23 -0.781 -9.125 0.456 180 HB3 ASP 23 HB3 ASP 23 -2.316 -8.266 0.386 181 H LEU 24 H LEU 24 -2.976 -6.877 -1.060 182 HA LEU 24 HA LEU 24 -5.516 -7.550 -1.853 183 HB2 LEU 24 HB2 LEU 24 -4.146 -4.877 -2.103 184 HB3 LEU 24 HB3 LEU 24 -5.886 -5.130 -2.228 185 HG LEU 24 HG LEU 24 -4.172 -5.543 0.220 186 HD11 LEU 24 HD11 LEU 24 -6.285 -3.786 0.713 187 HD12 LEU 24 HD12 LEU 24 -5.616 -3.294 -0.843 188 HD13 LEU 24 HD13 LEU 24 -4.572 -3.390 0.575 189 HD21 LEU 24 HD21 LEU 24 -6.333 -5.986 1.354 190 HD22 LEU 24 HD22 LEU 24 -5.882 -7.232 0.190 191 HD23 LEU 24 HD23 LEU 24 -7.113 -6.038 -0.227 192 H LEU 25 H LEU 25 -2.877 -6.311 -3.854 193 HA LEU 25 HA LEU 25 -4.253 -5.892 -6.228 194 HB2 LEU 25 HB2 LEU 25 -1.472 -6.362 -5.437 195 HB3 LEU 25 HB3 LEU 25 -1.843 -6.842 -7.092 196 HG LEU 25 HG LEU 25 -0.918 -4.552 -6.898 197 HD11 LEU 25 HD11 LEU 25 -3.496 -3.796 -7.881 198 HD12 LEU 25 HD12 LEU 25 -3.127 -5.445 -8.387 199 HD13 LEU 25 HD13 LEU 25 -2.015 -4.134 -8.777 200 HD21 LEU 25 HD21 LEU 25 -1.827 -3.868 -4.786 201 HD22 LEU 25 HD22 LEU 25 -3.476 -4.048 -5.384 202 HD23 LEU 25 HD23 LEU 25 -2.435 -2.782 -6.035 203 H ASP 26 H ASP 26 -2.949 -8.871 -4.870 204 HA ASP 26 HA ASP 26 -3.305 -10.519 -7.115 205 HB2 ASP 26 HB2 ASP 26 -2.078 -10.969 -4.858 206 HB3 ASP 26 HB3 ASP 26 -3.651 -11.548 -4.316 207 H ASP 27 H ASP 27 -5.382 -10.222 -4.228 208 HA ASP 27 HA ASP 27 -7.496 -11.769 -5.233 209 HB2 ASP 27 HB2 ASP 27 -7.336 -9.659 -3.091 210 HB3 ASP 27 HB3 ASP 27 -8.862 -10.442 -3.494 211 H LEU 28 H LEU 28 -6.704 -8.381 -5.608 212 HA LEU 28 HA LEU 28 -9.214 -7.558 -6.652 213 HB2 LEU 28 HB2 LEU 28 -6.538 -6.415 -6.319 214 HB3 LEU 28 HB3 LEU 28 -7.415 -5.805 -7.720 215 HG LEU 28 HG LEU 28 -8.389 -5.711 -4.866 216 HD11 LEU 28 HD11 LEU 28 -7.656 -3.566 -4.709 217 HD12 LEU 28 HD12 LEU 28 -7.767 -3.280 -6.446 218 HD13 LEU 28 HD13 LEU 28 -6.414 -4.200 -5.789 219 HD21 LEU 28 HD21 LEU 28 -9.691 -3.948 -6.734 220 HD22 LEU 28 HD22 LEU 28 -10.391 -5.147 -5.646 221 HD23 LEU 28 HD23 LEU 28 -9.838 -5.628 -7.251 222 H LYS 29 H LYS 29 -6.554 -9.270 -7.973 223 HA LYS 29 HA LYS 29 -6.537 -8.624 -10.637 224 HB2 LYS 29 HB2 LYS 29 -5.011 -10.259 -9.679 225 HB3 LYS 29 HB3 LYS 29 -6.341 -11.376 -9.402 226 HG2 LYS 29 HG2 LYS 29 -6.622 -11.766 -11.713 227 HG3 LYS 29 HG3 LYS 29 -5.583 -10.405 -12.142 228 HD2 LYS 29 HD2 LYS 29 -4.524 -12.703 -10.534 229 HD3 LYS 29 HD3 LYS 29 -4.628 -12.804 -12.293 230 HE2 LYS 29 HE2 LYS 29 -2.579 -11.884 -12.239 231 HE3 LYS 29 HE3 LYS 29 -3.455 -10.377 -11.974 232 HZ1 LYS 29 HZ1 LYS 29 -1.600 -11.579 -10.294 233 HZ2 LYS 29 HZ2 LYS 29 -3.096 -11.705 -9.514 234 HZ3 LYS 29 HZ3 LYS 29 -2.517 -10.189 -9.993 235 H THR 30 H THR 30 -8.439 -11.346 -9.331 236 HA THR 30 HA THR 30 -10.151 -11.318 -11.662 237 HB THR 30 HB THR 30 -11.365 -13.162 -10.312 238 HG1 THR 30 HG1 THR 30 -10.454 -12.737 -8.285 239 HG21 THR 30 HG21 THR 30 -10.134 -14.657 -11.469 240 HG22 THR 30 HG22 THR 30 -8.615 -14.099 -10.768 241 HG23 THR 30 HG23 THR 30 -9.336 -13.225 -12.119 242 H ASP 31 H ASP 31 -10.247 -10.205 -8.369 243 HA ASP 31 HA ASP 31 -13.075 -9.866 -8.211 244 HB2 ASP 31 HB2 ASP 31 -11.406 -10.023 -6.270 245 HB3 ASP 31 HB3 ASP 31 -11.046 -8.330 -6.597 246 H LEU 32 H LEU 32 -14.068 -7.676 -7.858 247 HA LEU 32 HA LEU 32 -12.884 -5.670 -9.658 248 HB2 LEU 32 HB2 LEU 32 -14.950 -7.089 -10.454 249 HB3 LEU 32 HB3 LEU 32 -15.843 -5.956 -9.442 250 HG LEU 32 HG LEU 32 -14.968 -4.091 -10.788 251 HD11 LEU 32 HD11 LEU 32 -14.051 -5.074 -13.110 252 HD12 LEU 32 HD12 LEU 32 -13.401 -6.279 -11.998 253 HD13 LEU 32 HD13 LEU 32 -13.001 -4.575 -11.783 254 HD21 LEU 32 HD21 LEU 32 -16.767 -4.302 -12.072 255 HD22 LEU 32 HD22 LEU 32 -16.923 -5.959 -11.488 256 HD23 LEU 32 HD23 LEU 32 -16.035 -5.627 -12.976 257 H ASP 33 H ASP 33 -12.487 -5.627 -6.925 258 HA ASP 33 HA ASP 33 -14.430 -3.896 -5.680 259 HB2 ASP 33 HB2 ASP 33 -12.681 -5.671 -4.657 260 HB3 ASP 33 HB3 ASP 33 -11.733 -4.196 -4.482 261 H ASN 34 H ASN 34 -11.482 -3.550 -7.467 262 HA ASN 34 HA ASN 34 -11.817 -0.674 -7.497 263 HB2 ASN 34 HB2 ASN 34 -9.213 -1.878 -6.534 264 HB3 ASN 34 HB3 ASN 34 -9.548 -0.165 -6.765 265 HD21 ASN 34 HD21 ASN 34 -9.494 -2.679 -4.582 266 HD22 ASN 34 HD22 ASN 34 -10.403 -1.945 -3.309 267 H GLU 35 H GLU 35 -11.077 0.243 -9.356 268 HA GLU 35 HA GLU 35 -9.683 -1.547 -11.239 269 HB2 GLU 35 HB2 GLU 35 -12.160 -0.709 -11.640 270 HB3 GLU 35 HB3 GLU 35 -11.342 0.739 -12.207 271 HG2 GLU 35 HG2 GLU 35 -11.160 -0.244 -14.179 272 HG3 GLU 35 HG3 GLU 35 -9.997 -1.348 -13.447 273 H SER 36 H SER 36 -10.319 1.938 -10.797 274 HA SER 36 HA SER 36 -7.691 2.548 -11.895 275 HB2 SER 36 HB2 SER 36 -9.799 4.489 -10.931 276 HB3 SER 36 HB3 SER 36 -8.426 4.836 -11.980 277 HG SER 36 HG SER 36 -10.046 4.573 -13.384 278 H LEU 37 H LEU 37 -9.353 2.468 -8.848 279 HA LEU 37 HA LEU 37 -7.750 4.168 -7.326 280 HB2 LEU 37 HB2 LEU 37 -9.914 2.671 -6.814 281 HB3 LEU 37 HB3 LEU 37 -8.682 1.668 -6.053 282 HG LEU 37 HG LEU 37 -9.605 3.038 -4.357 283 HD11 LEU 37 HD11 LEU 37 -7.130 4.566 -5.039 284 HD12 LEU 37 HD12 LEU 37 -7.034 2.850 -4.644 285 HD13 LEU 37 HD13 LEU 37 -7.697 3.989 -3.471 286 HD21 LEU 37 HD21 LEU 37 -8.911 5.584 -5.730 287 HD22 LEU 37 HD22 LEU 37 -10.159 5.250 -4.528 288 HD23 LEU 37 HD23 LEU 37 -10.389 4.746 -6.204 289 H LYS 38 H LYS 38 -7.250 0.848 -8.345 290 HA LYS 38 HA LYS 38 -5.208 0.044 -6.681 291 HB2 LYS 38 HB2 LYS 38 -5.849 -0.540 -9.549 292 HB3 LYS 38 HB3 LYS 38 -4.373 -1.180 -8.840 293 HG2 LYS 38 HG2 LYS 38 -5.472 -2.684 -7.570 294 HG3 LYS 38 HG3 LYS 38 -6.844 -1.609 -7.290 295 HD2 LYS 38 HD2 LYS 38 -7.558 -3.489 -8.625 296 HD3 LYS 38 HD3 LYS 38 -7.594 -2.026 -9.611 297 HE2 LYS 38 HE2 LYS 38 -5.029 -3.050 -9.952 298 HE3 LYS 38 HE3 LYS 38 -6.081 -4.465 -9.973 299 HZ1 LYS 38 HZ1 LYS 38 -5.613 -3.134 -12.144 300 HZ2 LYS 38 HZ2 LYS 38 -6.831 -2.115 -11.564 301 HZ3 LYS 38 HZ3 LYS 38 -7.159 -3.751 -11.843 302 H LYS 39 H LYS 39 -5.135 2.389 -9.239 303 HA LYS 39 HA LYS 39 -2.452 2.500 -9.882 304 HB2 LYS 39 HB2 LYS 39 -2.846 4.652 -10.720 305 HB3 LYS 39 HB3 LYS 39 -4.416 3.867 -10.820 306 HG2 LYS 39 HG2 LYS 39 -5.111 4.981 -8.764 307 HG3 LYS 39 HG3 LYS 39 -3.531 5.761 -8.650 308 HD2 LYS 39 HD2 LYS 39 -4.484 7.444 -9.782 309 HD3 LYS 39 HD3 LYS 39 -4.320 6.399 -11.195 310 HE2 LYS 39 HE2 LYS 39 -6.549 5.687 -11.065 311 HE3 LYS 39 HE3 LYS 39 -6.725 6.254 -9.405 312 HZ1 LYS 39 HZ1 LYS 39 -6.134 8.526 -10.689 313 HZ2 LYS 39 HZ2 LYS 39 -7.710 7.995 -10.381 314 HZ3 LYS 39 HZ3 LYS 39 -7.002 7.707 -11.890 315 H VAL 40 H VAL 40 -4.107 3.754 -7.048 316 HA VAL 40 HA VAL 40 -1.945 5.288 -6.041 317 HB VAL 40 HB VAL 40 -4.464 4.199 -4.844 318 HG11 VAL 40 HG11 VAL 40 -3.817 5.363 -2.713 319 HG12 VAL 40 HG12 VAL 40 -2.939 3.870 -3.049 320 HG13 VAL 40 HG13 VAL 40 -2.169 5.431 -3.334 321 HG21 VAL 40 HG21 VAL 40 -5.076 6.471 -4.645 322 HG22 VAL 40 HG22 VAL 40 -3.419 7.020 -4.902 323 HG23 VAL 40 HG23 VAL 40 -4.332 6.312 -6.236 324 H LEU 41 H LEU 41 -3.180 2.075 -5.105 325 HA LEU 41 HA LEU 41 -1.161 1.489 -3.253 326 HB2 LEU 41 HB2 LEU 41 -3.047 -0.187 -4.862 327 HB3 LEU 41 HB3 LEU 41 -1.813 -0.945 -3.857 328 HG LEU 41 HG LEU 41 -3.919 -0.905 -2.681 329 HD11 LEU 41 HD11 LEU 41 -1.511 0.211 -1.726 330 HD12 LEU 41 HD12 LEU 41 -2.784 -0.590 -0.807 331 HD13 LEU 41 HD13 LEU 41 -2.833 1.157 -1.040 332 HD21 LEU 41 HD21 LEU 41 -4.622 1.245 -3.998 333 HD22 LEU 41 HD22 LEU 41 -3.931 2.078 -2.605 334 HD23 LEU 41 HD23 LEU 41 -5.260 0.938 -2.382 335 H GLU 42 H GLU 42 -1.475 0.493 -6.660 336 HA GLU 42 HA GLU 42 0.906 -0.924 -6.871 337 HB2 GLU 42 HB2 GLU 42 -0.708 0.626 -8.882 338 HB3 GLU 42 HB3 GLU 42 0.771 -0.206 -9.341 339 HG2 GLU 42 HG2 GLU 42 -0.490 -2.197 -8.059 340 HG3 GLU 42 HG3 GLU 42 -1.879 -1.288 -8.652 341 H ASN 43 H ASN 43 0.321 2.490 -7.722 342 HA ASN 43 HA ASN 43 2.877 3.199 -8.465 343 HB2 ASN 43 HB2 ASN 43 0.884 4.664 -8.659 344 HB3 ASN 43 HB3 ASN 43 0.933 4.927 -6.919 345 HD21 ASN 43 HD21 ASN 43 1.025 7.184 -7.811 346 HD22 ASN 43 HD22 ASN 43 2.595 7.849 -8.092 347 H TYR 44 H TYR 44 1.516 3.939 -5.252 348 HA TYR 44 HA TYR 44 3.868 4.640 -4.000 349 HB2 TYR 44 HB2 TYR 44 1.310 3.448 -2.979 350 HB3 TYR 44 HB3 TYR 44 2.652 3.740 -1.880 351 HD1 TYR 44 HD2 TYR 44 3.751 6.243 -2.490 352 HD2 TYR 44 HD1 TYR 44 -0.323 5.059 -2.815 353 HE1 TYR 44 HE2 TYR 44 3.056 8.591 -2.257 354 HE2 TYR 44 HE1 TYR 44 -1.029 7.404 -2.586 355 HH TYR 44 HH TYR 44 0.169 9.745 -3.096 356 H LEU 45 H LEU 45 2.467 1.420 -4.400 357 HA LEU 45 HA LEU 45 4.197 -0.031 -2.776 358 HB2 LEU 45 HB2 LEU 45 2.239 -1.051 -3.694 359 HB3 LEU 45 HB3 LEU 45 2.813 -0.791 -5.340 360 HG LEU 45 HG LEU 45 4.582 -2.438 -4.990 361 HD11 LEU 45 HD11 LEU 45 3.488 -2.449 -2.208 362 HD12 LEU 45 HD12 LEU 45 5.163 -2.372 -2.754 363 HD13 LEU 45 HD13 LEU 45 4.269 -3.887 -2.867 364 HD21 LEU 45 HD21 LEU 45 2.241 -3.941 -4.024 365 HD22 LEU 45 HD22 LEU 45 3.232 -4.180 -5.463 366 HD23 LEU 45 HD23 LEU 45 1.973 -2.943 -5.453 367 H GLU 46 H GLU 46 4.611 1.136 -6.068 368 HA GLU 46 HA GLU 46 6.975 -0.312 -6.645 369 HB2 GLU 46 HB2 GLU 46 5.304 1.144 -8.151 370 HB3 GLU 46 HB3 GLU 46 6.557 2.350 -7.895 371 HG2 GLU 46 HG2 GLU 46 7.365 -0.370 -8.776 372 HG3 GLU 46 HG3 GLU 46 6.621 0.716 -9.948 373 H GLU 47 H GLU 47 6.336 2.585 -4.860 374 HA GLU 47 HA GLU 47 8.845 3.826 -4.991 375 HB2 GLU 47 HB2 GLU 47 6.953 3.817 -2.636 376 HB3 GLU 47 HB3 GLU 47 8.195 5.011 -2.978 377 HG2 GLU 47 HG2 GLU 47 5.948 4.495 -4.889 378 HG3 GLU 47 HG3 GLU 47 5.775 5.602 -3.528 379 H LEU 48 H LEU 48 7.575 1.441 -2.686 380 HA LEU 48 HA LEU 48 9.710 1.289 -0.944 381 HB2 LEU 48 HB2 LEU 48 7.898 -0.907 -1.926 382 HB3 LEU 48 HB3 LEU 48 8.998 -1.071 -0.560 383 HG LEU 48 HG LEU 48 7.481 1.186 0.033 384 HD11 LEU 48 HD11 LEU 48 5.268 0.784 -0.421 385 HD12 LEU 48 HD12 LEU 48 5.515 -0.944 -0.663 386 HD13 LEU 48 HD13 LEU 48 6.026 0.200 -1.903 387 HD21 LEU 48 HD21 LEU 48 8.326 -0.908 1.370 388 HD22 LEU 48 HD22 LEU 48 6.698 -1.505 1.048 389 HD23 LEU 48 HD23 LEU 48 6.925 0.010 1.923 390 H LYS 49 H LYS 49 9.384 -0.040 -4.161 391 HA LYS 49 HA LYS 49 11.566 -1.830 -4.076 392 HB2 LYS 49 HB2 LYS 49 10.614 -0.372 -6.537 393 HB3 LYS 49 HB3 LYS 49 11.371 -1.958 -6.443 394 HG2 LYS 49 HG2 LYS 49 8.612 -1.214 -5.495 395 HG3 LYS 49 HG3 LYS 49 9.026 -2.215 -6.889 396 HD2 LYS 49 HD2 LYS 49 10.053 -3.862 -5.381 397 HD3 LYS 49 HD3 LYS 49 9.598 -2.865 -3.997 398 HE2 LYS 49 HE2 LYS 49 7.855 -4.355 -4.033 399 HE3 LYS 49 HE3 LYS 49 7.200 -3.067 -5.043 400 HZ1 LYS 49 HZ1 LYS 49 7.504 -5.723 -5.722 401 HZ2 LYS 49 HZ2 LYS 49 8.688 -4.903 -6.607 402 HZ3 LYS 49 HZ3 LYS 49 7.064 -4.454 -6.750 403 H GLN 50 H GLN 50 11.307 1.567 -5.048 404 HA GLN 50 HA GLN 50 14.088 1.759 -5.742 405 HB2 GLN 50 HB2 GLN 50 12.202 4.053 -5.225 406 HB3 GLN 50 HB3 GLN 50 13.654 4.053 -6.216 407 HG2 GLN 50 HG2 GLN 50 11.084 2.605 -6.809 408 HG3 GLN 50 HG3 GLN 50 11.683 4.059 -7.607 409 HE21 GLN 50 HE21 GLN 50 11.000 1.562 -8.829 410 HE22 GLN 50 HE22 GLN 50 12.430 0.957 -9.586 411 H LYS 51 H LYS 51 15.595 3.228 -4.691 412 HA LYS 51 HA LYS 51 15.346 3.060 -1.781 413 HB2 LYS 51 HB2 LYS 51 17.745 3.444 -1.720 414 HB3 LYS 51 HB3 LYS 51 17.376 2.139 -2.841 415 HG2 LYS 51 HG2 LYS 51 17.441 3.969 -4.652 416 HG3 LYS 51 HG3 LYS 51 18.279 4.930 -3.430 417 HD2 LYS 51 HD2 LYS 51 19.146 2.174 -4.295 418 HD3 LYS 51 HD3 LYS 51 19.787 3.670 -4.979 419 HE2 LYS 51 HE2 LYS 51 21.350 3.229 -3.355 420 HE3 LYS 51 HE3 LYS 51 20.233 4.264 -2.467 421 HZ1 LYS 51 HZ1 LYS 51 21.046 2.002 -1.477 422 HZ2 LYS 51 HZ2 LYS 51 19.794 1.366 -2.420 423 HZ3 LYS 51 HZ3 LYS 51 19.455 2.526 -1.236 424 H SER 52 H SER 52 14.129 5.128 -3.701 425 HA SER 52 HA SER 52 15.387 7.591 -2.841 426 HB2 SER 52 HB2 SER 52 14.535 7.559 -5.090 427 HB3 SER 52 HB3 SER 52 12.946 7.032 -4.538 428 HG SER 52 HG SER 52 14.189 9.533 -4.031 429 H ALA 53 H ALA 53 11.944 6.705 -2.818 430 HA ALA 53 HA ALA 53 11.430 8.341 -0.532 431 HB1 ALA 53 HB1 ALA 53 9.762 6.444 -2.149 432 HB2 ALA 53 HB2 ALA 53 9.142 7.194 -0.679 433 HB3 ALA 53 HB3 ALA 53 9.648 8.200 -2.035 434 H SER 54 H SER 54 11.284 7.802 1.571 435 HA SER 54 HA SER 54 12.355 5.298 2.434 436 HB2 SER 54 HB2 SER 54 10.945 7.164 4.306 437 HB3 SER 54 HB3 SER 54 12.410 6.217 4.565 438 HG SER 54 HG SER 54 12.395 8.696 4.054 439 H VAL 55 H VAL 55 11.308 3.770 3.834 440 HA VAL 55 HA VAL 55 8.923 2.754 2.898 441 HB VAL 55 HB VAL 55 10.488 2.345 5.392 442 HG11 VAL 55 HG11 VAL 55 8.417 2.294 6.450 443 HG12 VAL 55 HG12 VAL 55 7.611 1.582 5.050 444 HG13 VAL 55 HG13 VAL 55 8.702 0.605 6.032 445 HG21 VAL 55 HG21 VAL 55 10.253 1.113 2.895 446 HG22 VAL 55 HG22 VAL 55 11.172 0.540 4.286 447 HG23 VAL 55 HG23 VAL 55 9.512 -0.003 4.042 448 HA PRO 56 HA PRO 56 6.588 4.822 6.592 449 HB2 PRO 56 HB2 PRO 56 7.930 6.712 8.006 450 HB3 PRO 56 HB3 PRO 56 7.959 4.995 8.427 451 HG2 PRO 56 HG2 PRO 56 9.983 6.612 6.927 452 HG3 PRO 56 HG3 PRO 56 10.238 5.393 8.189 453 HD2 PRO 56 HD2 PRO 56 10.553 4.851 5.555 454 HD3 PRO 56 HD3 PRO 56 9.986 3.636 6.719 455 H LEU 57 H LEU 57 8.638 6.463 4.388 456 HA LEU 57 HA LEU 57 7.321 9.012 4.520 457 HB2 LEU 57 HB2 LEU 57 9.531 7.803 3.039 458 HB3 LEU 57 HB3 LEU 57 8.575 8.934 2.081 459 HG LEU 57 HG LEU 57 10.584 9.935 3.162 460 HD11 LEU 57 HD11 LEU 57 8.247 11.066 2.653 461 HD12 LEU 57 HD12 LEU 57 9.557 11.946 3.441 462 HD13 LEU 57 HD13 LEU 57 8.244 11.270 4.406 463 HD21 LEU 57 HD21 LEU 57 9.769 8.515 5.378 464 HD22 LEU 57 HD22 LEU 57 9.328 10.176 5.775 465 HD23 LEU 57 HD23 LEU 57 10.995 9.782 5.349 466 H ILE 58 H ILE 58 7.004 6.083 2.629 467 HA ILE 58 HA ILE 58 5.122 7.282 0.782 468 HB ILE 58 HB ILE 58 5.952 4.396 1.114 469 HG12 ILE 58 HG12 ILE 58 6.748 5.833 -1.310 470 HG13 ILE 58 HG13 ILE 58 7.446 6.510 0.157 471 HG21 ILE 58 HG21 ILE 58 4.983 4.927 -1.481 472 HG22 ILE 58 HG22 ILE 58 4.279 3.881 -0.248 473 HG23 ILE 58 HG23 ILE 58 3.802 5.577 -0.344 474 HD11 ILE 58 HD11 ILE 58 8.326 4.293 0.734 475 HD12 ILE 58 HD12 ILE 58 7.672 3.659 -0.777 476 HD13 ILE 58 HD13 ILE 58 8.939 4.886 -0.810 477 H LEU 59 H LEU 59 5.051 4.921 3.427 478 HA LEU 59 HA LEU 59 2.349 4.238 3.286 479 HB2 LEU 59 HB2 LEU 59 4.136 4.419 5.707 480 HB3 LEU 59 HB3 LEU 59 2.575 3.602 5.658 481 HG LEU 59 HG LEU 59 5.055 2.811 4.131 482 HD11 LEU 59 HD11 LEU 59 4.084 2.188 6.765 483 HD12 LEU 59 HD12 LEU 59 5.594 1.718 5.985 484 HD13 LEU 59 HD13 LEU 59 4.145 0.736 5.764 485 HD21 LEU 59 HD21 LEU 59 2.223 1.865 4.039 486 HD22 LEU 59 HD22 LEU 59 3.540 0.726 3.758 487 HD23 LEU 59 HD23 LEU 59 3.358 2.139 2.718 488 H SER 60 H SER 60 3.918 7.072 4.548 489 HA SER 60 HA SER 60 1.822 8.014 6.192 490 HB2 SER 60 HB2 SER 60 4.232 9.241 4.916 491 HB3 SER 60 HB3 SER 60 3.001 10.307 5.595 492 HG SER 60 HG SER 60 4.309 9.912 7.277 493 H ARG 61 H ARG 61 2.831 9.277 3.010 494 HA ARG 61 HA ARG 61 0.457 10.739 2.590 495 HB2 ARG 61 HB2 ARG 61 2.822 9.983 0.977 496 HB3 ARG 61 HB3 ARG 61 1.371 10.392 0.072 497 HG2 ARG 61 HG2 ARG 61 2.461 12.418 0.225 498 HG3 ARG 61 HG3 ARG 61 1.318 12.500 1.566 499 HD2 ARG 61 HD2 ARG 61 3.118 11.726 3.083 500 HD3 ARG 61 HD3 ARG 61 4.243 11.786 1.727 501 HE ARG 61 HE ARG 61 4.342 14.062 1.958 502 HH11 ARG 61 HH11 ARG 61 1.586 12.856 3.710 503 HH12 ARG 61 HH12 ARG 61 1.230 14.378 4.456 504 HH21 ARG 61 HH21 ARG 61 3.885 16.071 2.936 505 HH22 ARG 61 HH22 ARG 61 2.539 16.206 4.015 506 H MET 62 H MET 62 1.388 7.451 1.832 507 HA MET 62 HA MET 62 -0.488 6.759 -0.072 508 HB2 MET 62 HB2 MET 62 1.297 5.253 0.655 509 HB3 MET 62 HB3 MET 62 0.529 5.078 2.227 510 HG2 MET 62 HG2 MET 62 -1.338 3.940 1.261 511 HG3 MET 62 HG3 MET 62 -0.750 4.264 -0.368 512 HE1 MET 62 HE1 MET 62 -0.531 2.459 2.835 513 HE2 MET 62 HE2 MET 62 -1.115 1.148 1.810 514 HE3 MET 62 HE3 MET 62 0.482 1.043 2.552 515 H ASN 63 H ASN 63 -0.841 6.373 3.460 516 HA ASN 63 HA ASN 63 -3.479 5.524 3.487 517 HB2 ASN 63 HB2 ASN 63 -1.772 5.715 5.423 518 HB3 ASN 63 HB3 ASN 63 -2.390 7.353 5.613 519 HD21 ASN 63 HD21 ASN 63 -2.548 5.276 7.532 520 HD22 ASN 63 HD22 ASN 63 -4.221 4.939 7.802 521 H LEU 64 H LEU 64 -2.209 8.837 3.621 522 HA LEU 64 HA LEU 64 -4.770 10.069 3.774 523 HB2 LEU 64 HB2 LEU 64 -1.995 11.026 3.205 524 HB3 LEU 64 HB3 LEU 64 -3.369 12.102 2.954 525 HG LEU 64 HG LEU 64 -3.977 11.690 5.371 526 HD11 LEU 64 HD11 LEU 64 -1.187 10.554 5.458 527 HD12 LEU 64 HD12 LEU 64 -2.677 9.637 5.672 528 HD13 LEU 64 HD13 LEU 64 -2.228 10.874 6.845 529 HD21 LEU 64 HD21 LEU 64 -1.333 13.004 4.758 530 HD22 LEU 64 HD22 LEU 64 -2.294 13.267 6.213 531 HD23 LEU 64 HD23 LEU 64 -2.925 13.753 4.638 532 H ASP 65 H ASP 65 -3.187 8.512 1.273 533 HA ASP 65 HA ASP 65 -4.415 10.132 -0.830 534 HB2 ASP 65 HB2 ASP 65 -2.016 9.266 -0.962 535 HB3 ASP 65 HB3 ASP 65 -2.716 7.669 -1.219 536 H ILE 66 H ILE 66 -4.416 6.802 0.396 537 HA ILE 66 HA ILE 66 -6.348 5.817 -1.419 538 HB ILE 66 HB ILE 66 -5.708 4.790 1.348 539 HG12 ILE 66 HG12 ILE 66 -4.586 3.847 -1.292 540 HG13 ILE 66 HG13 ILE 66 -3.759 5.004 -0.255 541 HG21 ILE 66 HG21 ILE 66 -7.035 3.474 -1.016 542 HG22 ILE 66 HG22 ILE 66 -6.543 2.643 0.458 543 HG23 ILE 66 HG23 ILE 66 -7.788 3.889 0.524 544 HD11 ILE 66 HD11 ILE 66 -3.939 3.226 1.564 545 HD12 ILE 66 HD12 ILE 66 -4.339 2.114 0.255 546 HD13 ILE 66 HD13 ILE 66 -2.788 2.953 0.256 547 H SER 67 H SER 67 -6.690 6.608 2.046 548 HA SER 67 HA SER 67 -9.410 6.313 2.288 549 HB2 SER 67 HB2 SER 67 -7.499 8.207 3.647 550 HB3 SER 67 HB3 SER 67 -9.208 8.151 4.077 551 HG SER 67 HG SER 67 -7.806 5.739 3.970 552 H LYS 68 H LYS 68 -7.666 9.283 1.394 553 HA LYS 68 HA LYS 68 -9.964 10.868 1.001 554 HB2 LYS 68 HB2 LYS 68 -8.504 12.513 0.479 555 HB3 LYS 68 HB3 LYS 68 -7.305 11.374 1.075 556 HG2 LYS 68 HG2 LYS 68 -7.068 10.559 -1.296 557 HG3 LYS 68 HG3 LYS 68 -8.056 11.939 -1.780 558 HD2 LYS 68 HD2 LYS 68 -5.963 12.804 -0.017 559 HD3 LYS 68 HD3 LYS 68 -5.277 11.872 -1.350 560 HE2 LYS 68 HE2 LYS 68 -5.998 13.367 -2.941 561 HE3 LYS 68 HE3 LYS 68 -7.334 13.946 -1.947 562 HZ1 LYS 68 HZ1 LYS 68 -5.429 15.527 -2.251 563 HZ2 LYS 68 HZ2 LYS 68 -4.497 14.493 -1.293 564 HZ3 LYS 68 HZ3 LYS 68 -5.873 15.232 -0.645 565 H ALA 69 H ALA 69 -8.240 8.641 -1.070 566 HA ALA 69 HA ALA 69 -9.395 9.442 -3.529 567 HB1 ALA 69 HB1 ALA 69 -7.845 7.114 -2.561 568 HB2 ALA 69 HB2 ALA 69 -8.794 6.891 -4.031 569 HB3 ALA 69 HB3 ALA 69 -7.573 8.162 -3.953 570 H ILE 70 H ILE 70 -10.606 7.664 -0.860 571 HA ILE 70 HA ILE 70 -12.496 6.022 -2.146 572 HB ILE 70 HB ILE 70 -12.757 7.257 0.597 573 HG12 ILE 70 HG12 ILE 70 -11.374 4.710 -0.276 574 HG13 ILE 70 HG13 ILE 70 -10.600 6.142 0.397 575 HG21 ILE 70 HG21 ILE 70 -14.803 6.225 -0.263 576 HG22 ILE 70 HG22 ILE 70 -13.922 4.728 -0.562 577 HG23 ILE 70 HG23 ILE 70 -14.137 5.309 1.090 578 HD11 ILE 70 HD11 ILE 70 -12.094 5.715 2.445 579 HD12 ILE 70 HD12 ILE 70 -12.299 4.101 1.763 580 HD13 ILE 70 HD13 ILE 70 -10.689 4.682 2.185 581 H ARG 71 H ARG 71 -13.272 8.923 -0.228 582 HA ARG 71 HA ARG 71 -15.826 9.283 -1.289 583 HB2 ARG 71 HB2 ARG 71 -15.567 11.661 -0.452 584 HB3 ARG 71 HB3 ARG 71 -15.305 10.393 0.738 585 HG2 ARG 71 HG2 ARG 71 -12.955 10.689 0.668 586 HG3 ARG 71 HG3 ARG 71 -13.064 11.728 -0.754 587 HD2 ARG 71 HD2 ARG 71 -14.441 13.301 0.683 588 HD3 ARG 71 HD3 ARG 71 -13.931 12.328 2.062 589 HE ARG 71 HE ARG 71 -11.659 13.083 0.604 590 HH11 ARG 71 HH11 ARG 71 -14.138 14.493 2.601 591 HH12 ARG 71 HH12 ARG 71 -13.132 15.788 3.161 592 HH21 ARG 71 HH21 ARG 71 -10.326 14.783 1.335 593 HH22 ARG 71 HH22 ARG 71 -10.964 15.953 2.440 594 H ASN 72 H ASN 72 -12.714 10.173 -2.532 595 HA ASN 72 HA ASN 72 -13.308 12.251 -4.248 596 HB2 ASN 72 HB2 ASN 72 -11.250 10.159 -4.102 597 HB3 ASN 72 HB3 ASN 72 -11.527 10.779 -5.727 598 HD21 ASN 72 HD21 ASN 72 -11.685 12.386 -2.581 599 HD22 ASN 72 HD22 ASN 72 -10.481 13.574 -2.932 600 H ASP 73 H ASP 73 -12.886 8.956 -5.505 601 HA ASP 73 HA ASP 73 -14.647 9.522 -7.712 602 HB2 ASP 73 HB2 ASP 73 -13.336 6.909 -6.928 603 HB3 ASP 73 HB3 ASP 73 -14.081 7.277 -8.481 604 H GLY 74 H GLY 74 -14.730 7.493 -4.812 605 HA2 GLY 74 HA2 GLY 74 -16.931 7.350 -3.702 606 HA3 GLY 74 HA3 GLY 74 -17.619 7.101 -5.300 607 H VAL 75 H VAL 75 -14.615 5.604 -4.365 608 HA VAL 75 HA VAL 75 -15.734 2.991 -4.847 609 HB VAL 75 HB VAL 75 -13.468 2.151 -4.484 610 HG11 VAL 75 HG11 VAL 75 -13.916 2.892 -6.692 611 HG12 VAL 75 HG12 VAL 75 -13.708 4.586 -6.238 612 HG13 VAL 75 HG13 VAL 75 -12.316 3.502 -6.271 613 HG21 VAL 75 HG21 VAL 75 -12.870 3.710 -2.659 614 HG22 VAL 75 HG22 VAL 75 -11.632 3.611 -3.911 615 HG23 VAL 75 HG23 VAL 75 -12.714 5.003 -3.849 616 H THR 76 H THR 76 -14.749 1.233 -3.215 617 HA THR 76 HA THR 76 -15.055 2.058 -0.442 618 HB THR 76 HB THR 76 -17.364 1.560 -1.174 619 HG1 THR 76 HG1 THR 76 -17.803 0.287 0.600 620 HG21 THR 76 HG21 THR 76 -16.206 -0.473 -2.635 621 HG22 THR 76 HG22 THR 76 -17.933 -0.258 -2.353 622 HG23 THR 76 HG23 THR 76 -16.996 -1.326 -1.309 623 H LEU 77 H LEU 77 -13.754 0.923 0.866 624 HA LEU 77 HA LEU 77 -12.127 -1.174 -0.276 625 HB2 LEU 77 HB2 LEU 77 -12.038 -0.323 2.591 626 HB3 LEU 77 HB3 LEU 77 -10.735 -0.934 1.574 627 HG LEU 77 HG LEU 77 -11.965 1.817 1.521 628 HD11 LEU 77 HD11 LEU 77 -9.866 0.727 3.007 629 HD12 LEU 77 HD12 LEU 77 -10.262 2.434 2.801 630 HD13 LEU 77 HD13 LEU 77 -9.101 1.660 1.720 631 HD21 LEU 77 HD21 LEU 77 -11.532 1.070 -0.760 632 HD22 LEU 77 HD22 LEU 77 -9.884 0.629 -0.313 633 HD23 LEU 77 HD23 LEU 77 -10.386 2.320 -0.276 634 H SER 78 H SER 78 -12.169 -3.311 0.209 635 HA SER 78 HA SER 78 -14.564 -4.404 1.279 636 HB2 SER 78 HB2 SER 78 -12.878 -5.391 -0.473 637 HB3 SER 78 HB3 SER 78 -12.069 -6.036 0.954 638 HG SER 78 HG SER 78 -14.663 -6.573 -0.011 639 H ASP 79 H ASP 79 -14.385 -6.240 2.963 640 HA ASP 79 HA ASP 79 -13.865 -5.148 5.453 641 HB2 ASP 79 HB2 ASP 79 -14.145 -7.992 4.513 642 HB3 ASP 79 HB3 ASP 79 -13.826 -7.622 6.206 643 H TYR 80 H TYR 80 -11.950 -7.757 3.947 644 HA TYR 80 HA TYR 80 -9.821 -7.646 5.742 645 HB2 TYR 80 HB2 TYR 80 -8.528 -8.835 3.991 646 HB3 TYR 80 HB3 TYR 80 -10.121 -9.536 4.250 647 HD1 TYR 80 HD1 TYR 80 -11.845 -9.374 2.544 648 HD2 TYR 80 HD2 TYR 80 -7.991 -7.682 1.921 649 HE1 TYR 80 HE1 TYR 80 -12.332 -9.165 0.142 650 HE2 TYR 80 HE2 TYR 80 -8.468 -7.468 -0.483 651 HH TYR 80 HH TYR 80 -10.116 -7.527 -2.046 652 H GLN 81 H GLN 81 -10.630 -5.584 3.100 653 HA GLN 81 HA GLN 81 -8.019 -4.499 2.684 654 HB2 GLN 81 HB2 GLN 81 -10.767 -3.913 1.737 655 HB3 GLN 81 HB3 GLN 81 -9.621 -2.580 1.694 656 HG2 GLN 81 HG2 GLN 81 -8.135 -4.522 0.568 657 HG3 GLN 81 HG3 GLN 81 -9.748 -5.023 0.065 658 HE21 GLN 81 HE21 GLN 81 -8.090 -4.366 -1.883 659 HE22 GLN 81 HE22 GLN 81 -8.471 -2.821 -2.555 660 H SER 82 H SER 82 -10.954 -3.225 4.256 661 HA SER 82 HA SER 82 -9.945 -0.828 5.175 662 HB2 SER 82 HB2 SER 82 -11.742 -0.795 6.753 663 HB3 SER 82 HB3 SER 82 -12.336 -1.646 5.327 664 HG SER 82 HG SER 82 -12.441 -2.527 7.734 665 H LYS 83 H LYS 83 -9.762 -4.019 6.697 666 HA LYS 83 HA LYS 83 -8.464 -3.129 9.061 667 HB2 LYS 83 HB2 LYS 83 -8.095 -5.458 9.538 668 HB3 LYS 83 HB3 LYS 83 -9.702 -5.284 8.846 669 HG2 LYS 83 HG2 LYS 83 -9.007 -6.179 6.771 670 HG3 LYS 83 HG3 LYS 83 -7.303 -6.071 7.218 671 HD2 LYS 83 HD2 LYS 83 -7.825 -8.335 7.490 672 HD3 LYS 83 HD3 LYS 83 -7.900 -7.676 9.125 673 HE2 LYS 83 HE2 LYS 83 -10.460 -7.385 7.913 674 HE3 LYS 83 HE3 LYS 83 -9.917 -9.046 7.677 675 HZ1 LYS 83 HZ1 LYS 83 -10.274 -9.499 9.805 676 HZ2 LYS 83 HZ2 LYS 83 -11.039 -7.998 9.950 677 HZ3 LYS 83 HZ3 LYS 83 -9.396 -8.149 10.328 678 H LYS 84 H LYS 84 -7.351 -4.078 5.893 679 HA LYS 84 HA LYS 84 -4.629 -4.495 6.544 680 HB2 LYS 84 HB2 LYS 84 -4.361 -4.908 4.337 681 HB3 LYS 84 HB3 LYS 84 -6.119 -4.899 4.321 682 HG2 LYS 84 HG2 LYS 84 -5.758 -3.466 2.611 683 HG3 LYS 84 HG3 LYS 84 -5.711 -2.301 3.936 684 HD2 LYS 84 HD2 LYS 84 -3.147 -2.976 3.941 685 HD3 LYS 84 HD3 LYS 84 -3.503 -3.371 2.258 686 HE2 LYS 84 HE2 LYS 84 -4.376 -0.744 3.379 687 HE3 LYS 84 HE3 LYS 84 -2.691 -0.974 2.912 688 HZ1 LYS 84 HZ1 LYS 84 -3.834 -0.080 1.057 689 HZ2 LYS 84 HZ2 LYS 84 -5.086 -1.211 1.180 690 HZ3 LYS 84 HZ3 LYS 84 -3.541 -1.708 0.702 691 H LEU 85 H LEU 85 -6.530 -1.662 6.207 692 HA LEU 85 HA LEU 85 -4.504 0.169 5.461 693 HB2 LEU 85 HB2 LEU 85 -7.244 0.261 5.951 694 HB3 LEU 85 HB3 LEU 85 -6.536 1.327 7.161 695 HG LEU 85 HG LEU 85 -7.231 2.559 5.174 696 HD11 LEU 85 HD11 LEU 85 -4.232 2.407 5.448 697 HD12 LEU 85 HD12 LEU 85 -5.313 3.352 6.472 698 HD13 LEU 85 HD13 LEU 85 -5.150 3.747 4.760 699 HD21 LEU 85 HD21 LEU 85 -6.681 0.483 3.686 700 HD22 LEU 85 HD22 LEU 85 -5.091 1.238 3.565 701 HD23 LEU 85 HD23 LEU 85 -6.527 2.114 3.029 702 H LYS 86 H LYS 86 -5.641 -1.047 8.562 703 HA LYS 86 HA LYS 86 -4.119 0.762 10.153 704 HB2 LYS 86 HB2 LYS 86 -4.855 -0.474 12.012 705 HB3 LYS 86 HB3 LYS 86 -6.174 -0.595 10.853 706 HG2 LYS 86 HG2 LYS 86 -6.096 -2.789 11.150 707 HG3 LYS 86 HG3 LYS 86 -4.559 -2.776 10.282 708 HD2 LYS 86 HD2 LYS 86 -4.005 -3.856 12.255 709 HD3 LYS 86 HD3 LYS 86 -3.548 -2.187 12.601 710 HE2 LYS 86 HE2 LYS 86 -5.505 -1.826 13.889 711 HE3 LYS 86 HE3 LYS 86 -6.236 -3.329 13.327 712 HZ1 LYS 86 HZ1 LYS 86 -5.441 -4.163 15.224 713 HZ2 LYS 86 HZ2 LYS 86 -4.360 -2.886 15.466 714 HZ3 LYS 86 HZ3 LYS 86 -3.935 -4.174 14.455 715 H GLU 87 H GLU 87 -3.211 -1.793 8.208 716 HA GLU 87 HA GLU 87 -1.222 -3.080 9.703 717 HB2 GLU 87 HB2 GLU 87 -1.406 -2.586 6.727 718 HB3 GLU 87 HB3 GLU 87 -0.241 -3.666 7.480 719 HG2 GLU 87 HG2 GLU 87 -3.169 -4.025 7.952 720 HG3 GLU 87 HG3 GLU 87 -2.407 -4.643 6.487 721 H LEU 88 H LEU 88 -0.422 -0.947 6.985 722 HA LEU 88 HA LEU 88 2.125 -0.297 8.004 723 HB2 LEU 88 HB2 LEU 88 1.955 1.583 6.258 724 HB3 LEU 88 HB3 LEU 88 1.945 -0.092 5.709 725 HG LEU 88 HG LEU 88 0.304 1.616 4.656 726 HD11 LEU 88 HD11 LEU 88 -1.432 -0.547 5.228 727 HD12 LEU 88 HD12 LEU 88 0.211 -1.181 5.136 728 HD13 LEU 88 HD13 LEU 88 -0.460 -0.269 3.783 729 HD21 LEU 88 HD21 LEU 88 -1.766 1.938 5.768 730 HD22 LEU 88 HD22 LEU 88 -0.503 2.385 6.914 731 HD23 LEU 88 HD23 LEU 88 -1.320 0.829 7.065 732 H THR 89 H THR 89 -0.893 0.737 8.975 733 HA THR 89 HA THR 89 -0.444 3.466 9.537 734 HB THR 89 HB THR 89 -2.339 1.448 10.731 735 HG1 THR 89 HG1 THR 89 -2.465 3.486 8.791 736 HG21 THR 89 HG21 THR 89 -1.803 4.276 11.530 737 HG22 THR 89 HG22 THR 89 -2.192 2.880 12.535 738 HG23 THR 89 HG23 THR 89 -3.455 3.663 11.585 739 H SER 90 H SER 90 -0.113 0.558 11.559 740 HA SER 90 HA SER 90 0.905 2.044 13.796 741 HB2 SER 90 HB2 SER 90 -0.375 -0.215 13.814 742 HB3 SER 90 HB3 SER 90 1.198 -0.932 13.466 743 HG SER 90 HG SER 90 1.307 -0.878 15.587 744 H ILE 91 H ILE 91 2.242 0.514 11.005 745 HA ILE 91 HA ILE 91 4.889 0.161 12.003 746 HB ILE 91 HB ILE 91 4.027 0.442 9.123 747 HG12 ILE 91 HG12 ILE 91 4.313 -2.078 10.773 748 HG13 ILE 91 HG13 ILE 91 2.777 -1.328 10.357 749 HG21 ILE 91 HG21 ILE 91 6.379 0.645 9.269 750 HG22 ILE 91 HG22 ILE 91 6.493 -0.664 10.442 751 HG23 ILE 91 HG23 ILE 91 6.060 -1.015 8.769 752 HD11 ILE 91 HD11 ILE 91 4.534 -3.023 8.764 753 HD12 ILE 91 HD12 ILE 91 2.800 -2.725 8.623 754 HD13 ILE 91 HD13 ILE 91 3.950 -1.591 7.915 755 H SER 92 H SER 92 3.117 2.886 11.081 756 HA SER 92 HA SER 92 5.321 4.448 10.089 757 HB2 SER 92 HB2 SER 92 3.753 6.279 9.992 758 HB3 SER 92 HB3 SER 92 2.931 4.829 9.417 759 HG SER 92 HG SER 92 1.502 5.432 10.852 760 H ASN 93 H ASN 93 4.675 3.304 13.064 761 HA ASN 93 HA ASN 93 5.113 5.648 14.656 762 HB2 ASN 93 HB2 ASN 93 5.234 4.099 16.542 763 HB3 ASN 93 HB3 ASN 93 3.856 3.707 15.517 764 HD21 ASN 93 HD21 ASN 93 4.672 1.826 17.206 765 HD22 ASN 93 HD22 ASN 93 5.496 0.552 16.379 766 H ILE 94 H ILE 94 7.074 5.939 12.998 767 HA ILE 94 HA ILE 94 9.481 4.560 13.761 768 HB ILE 94 HB ILE 94 9.294 7.078 12.116 769 HG12 ILE 94 HG12 ILE 94 7.782 5.423 11.153 770 HG13 ILE 94 HG13 ILE 94 9.209 5.598 10.137 771 HG21 ILE 94 HG21 ILE 94 11.431 5.327 12.927 772 HG22 ILE 94 HG22 ILE 94 11.300 5.386 11.170 773 HG23 ILE 94 HG23 ILE 94 11.507 6.877 12.089 774 HD11 ILE 94 HD11 ILE 94 8.710 3.381 12.107 775 HD12 ILE 94 HD12 ILE 94 8.560 3.273 10.353 776 HD13 ILE 94 HD13 ILE 94 10.137 3.555 11.088 777 H ARG 95 H ARG 95 8.786 5.357 16.097 778 HA ARG 95 HA ARG 95 10.136 7.917 16.635 779 HB2 ARG 95 HB2 ARG 95 8.281 6.417 18.485 780 HB3 ARG 95 HB3 ARG 95 8.872 8.063 18.670 781 HG2 ARG 95 HG2 ARG 95 7.075 7.137 16.440 782 HG3 ARG 95 HG3 ARG 95 6.524 7.930 17.918 783 HD2 ARG 95 HD2 ARG 95 8.599 9.186 16.154 784 HD3 ARG 95 HD3 ARG 95 6.878 9.365 15.811 785 HE ARG 95 HE ARG 95 8.367 10.617 17.936 786 HH11 ARG 95 HH11 ARG 95 5.222 9.641 16.806 787 HH12 ARG 95 HH12 ARG 95 4.371 10.792 17.782 788 HH21 ARG 95 HH21 ARG 95 7.257 12.136 19.226 789 HH22 ARG 95 HH22 ARG 95 5.529 12.211 19.157 790 H TYR 96 H TYR 96 10.089 4.505 17.354 791 HA TYR 96 HA TYR 96 12.333 4.844 19.221 792 HB2 TYR 96 HB2 TYR 96 10.839 2.272 18.762 793 HB3 TYR 96 HB3 TYR 96 11.792 2.753 20.161 794 HD1 TYR 96 HD2 TYR 96 8.575 3.177 18.428 795 HD2 TYR 96 HD1 TYR 96 10.837 4.090 21.913 796 HE1 TYR 96 HE2 TYR 96 6.527 3.956 19.546 797 HE2 TYR 96 HE1 TYR 96 8.796 4.870 23.042 798 HH TYR 96 HH TYR 96 6.602 5.154 22.891 799 H GLY 97 H GLY 97 11.349 2.348 16.865 800 HA2 GLY 97 HA2 GLY 97 12.881 2.224 14.849 801 HA3 GLY 97 HA3 GLY 97 14.178 2.190 16.034 802 H TYR 98 H TYR 98 12.836 0.493 17.919 803 HA TYR 98 HA TYR 98 13.302 -2.048 16.581 804 HB2 TYR 98 HB2 TYR 98 12.927 -1.308 19.485 805 HB3 TYR 98 HB3 TYR 98 13.119 -2.966 18.927 806 HD1 TYR 98 HD2 TYR 98 15.246 -3.298 17.330 807 HD2 TYR 98 HD1 TYR 98 14.815 -0.221 20.237 808 HE1 TYR 98 HE2 TYR 98 17.692 -3.052 17.423 809 HE2 TYR 98 HE1 TYR 98 17.259 0.034 20.337 810 HH TYR 98 HH TYR 98 19.386 -2.180 19.228 Start of MODEL 11 1 H1 MET 1 H MET 1 1.182 -29.645 1.528 2 HA MET 1 HA MET 1 0.122 -30.804 -0.410 3 HB2 MET 1 HB2 MET 1 -1.071 -32.516 0.867 4 HB3 MET 1 HB3 MET 1 0.426 -32.063 1.670 5 HG2 MET 1 HG2 MET 1 -2.070 -30.669 2.467 6 HG3 MET 1 HG3 MET 1 -1.836 -32.337 2.989 7 HE1 MET 1 HE1 MET 1 -0.301 -31.795 6.203 8 HE2 MET 1 HE2 MET 1 -1.526 -32.526 5.165 9 HE3 MET 1 HE3 MET 1 0.168 -32.988 4.991 10 H GLY 2 H GLY 2 -1.145 -28.158 -0.145 11 HA2 GLY 2 HA2 GLY 2 -3.749 -28.921 -1.200 12 HA3 GLY 2 HA3 GLY 2 -3.772 -27.915 0.241 13 H LYS 3 H LYS 3 -4.734 -26.166 -0.772 14 HA LYS 3 HA LYS 3 -2.973 -24.711 -2.628 15 HB2 LYS 3 HB2 LYS 3 -5.959 -25.093 -2.810 16 HB3 LYS 3 HB3 LYS 3 -5.119 -23.800 -3.659 17 HG2 LYS 3 HG2 LYS 3 -4.223 -26.627 -3.998 18 HG3 LYS 3 HG3 LYS 3 -5.633 -26.032 -4.877 19 HD2 LYS 3 HD2 LYS 3 -4.309 -24.272 -5.879 20 HD3 LYS 3 HD3 LYS 3 -2.902 -24.752 -4.929 21 HE2 LYS 3 HE2 LYS 3 -2.734 -26.827 -6.089 22 HE3 LYS 3 HE3 LYS 3 -4.290 -26.579 -6.878 23 HZ1 LYS 3 HZ1 LYS 3 -3.188 -24.517 -7.869 24 HZ2 LYS 3 HZ2 LYS 3 -2.740 -26.023 -8.493 25 HZ3 LYS 3 HZ3 LYS 3 -1.722 -25.222 -7.405 26 H LEU 4 H LEU 4 -2.170 -23.403 -0.990 27 HA LEU 4 HA LEU 4 -4.021 -21.332 -0.081 28 HB2 LEU 4 HB2 LEU 4 -2.376 -23.116 1.660 29 HB3 LEU 4 HB3 LEU 4 -2.688 -21.455 2.161 30 HG LEU 4 HG LEU 4 -4.952 -23.282 1.439 31 HD11 LEU 4 HD11 LEU 4 -4.193 -23.030 4.284 32 HD12 LEU 4 HD12 LEU 4 -3.216 -24.112 3.292 33 HD13 LEU 4 HD13 LEU 4 -4.956 -24.367 3.424 34 HD21 LEU 4 HD21 LEU 4 -4.656 -20.879 3.237 35 HD22 LEU 4 HD22 LEU 4 -6.131 -21.829 3.063 36 HD23 LEU 4 HD23 LEU 4 -5.483 -20.945 1.681 37 H LYS 5 H LYS 5 -3.008 -19.345 0.473 38 HA LYS 5 HA LYS 5 -0.208 -19.119 -0.415 39 HB2 LYS 5 HB2 LYS 5 -0.793 -16.883 -1.337 40 HB3 LYS 5 HB3 LYS 5 -1.600 -18.210 -2.161 41 HG2 LYS 5 HG2 LYS 5 -3.319 -16.717 -1.937 42 HG3 LYS 5 HG3 LYS 5 -3.533 -17.692 -0.481 43 HD2 LYS 5 HD2 LYS 5 -2.784 -16.024 0.908 44 HD3 LYS 5 HD3 LYS 5 -1.785 -15.282 -0.343 45 HE2 LYS 5 HE2 LYS 5 -4.765 -15.281 -0.598 46 HE3 LYS 5 HE3 LYS 5 -3.968 -14.102 0.443 47 HZ1 LYS 5 HZ1 LYS 5 -2.964 -14.437 -2.287 48 HZ2 LYS 5 HZ2 LYS 5 -3.012 -13.052 -1.318 49 HZ3 LYS 5 HZ3 LYS 5 -4.421 -13.604 -2.074 50 H TRP 6 H TRP 6 -2.203 -18.894 2.152 51 HA TRP 6 HA TRP 6 -1.187 -16.449 3.311 52 HB2 TRP 6 HB2 TRP 6 -3.489 -17.248 3.772 53 HB3 TRP 6 HB3 TRP 6 -2.815 -18.656 4.589 54 HD1 TRP 6 HD1 TRP 6 -1.590 -18.222 6.965 55 HE1 TRP 6 HE1 TRP 6 -1.884 -16.337 8.692 56 HE3 TRP 6 HE3 TRP 6 -3.981 -14.791 4.024 57 HZ2 TRP 6 HZ2 TRP 6 -2.984 -13.740 8.795 58 HZ3 TRP 6 HZ3 TRP 6 -4.620 -12.631 5.014 59 HH2 TRP 6 HH2 TRP 6 -4.132 -12.118 7.350 60 H PHE 7 H PHE 7 0.684 -16.278 4.339 61 HA PHE 7 HA PHE 7 1.671 -18.461 5.979 62 HB2 PHE 7 HB2 PHE 7 2.691 -19.040 3.882 63 HB3 PHE 7 HB3 PHE 7 3.204 -17.379 3.612 64 HD1 PHE 7 HD1 PHE 7 5.084 -16.440 4.841 65 HD2 PHE 7 HD2 PHE 7 3.902 -20.497 5.353 66 HE1 PHE 7 HE1 PHE 7 7.238 -16.927 5.926 67 HE2 PHE 7 HE2 PHE 7 6.053 -20.990 6.439 68 HZ PHE 7 HZ PHE 7 7.725 -19.204 6.727 69 H SER 8 H SER 8 2.615 -17.718 7.776 70 HA SER 8 HA SER 8 2.674 -14.934 8.317 71 HB2 SER 8 HB2 SER 8 3.855 -15.695 10.449 72 HB3 SER 8 HB3 SER 8 2.249 -16.367 10.162 73 HG SER 8 HG SER 8 3.895 -17.917 10.800 74 H GLY 9 H GLY 9 4.098 -13.636 7.340 75 HA2 GLY 9 HA2 GLY 9 6.946 -14.302 7.602 76 HA3 GLY 9 HA3 GLY 9 6.320 -13.898 6.011 77 H GLY 10 H GLY 10 7.768 -12.684 8.758 78 HA2 GLY 10 HA2 GLY 10 7.447 -9.966 7.783 79 HA3 GLY 10 HA3 GLY 10 6.818 -10.266 9.396 80 H LYS 11 H LYS 11 9.770 -10.846 7.486 81 HA LYS 11 HA LYS 11 11.413 -10.815 9.855 82 HB2 LYS 11 HB2 LYS 11 11.729 -12.076 7.536 83 HB3 LYS 11 HB3 LYS 11 12.591 -10.601 7.124 84 HG2 LYS 11 HG2 LYS 11 14.245 -10.972 8.698 85 HG3 LYS 11 HG3 LYS 11 13.236 -12.063 9.649 86 HD2 LYS 11 HD2 LYS 11 14.679 -13.540 8.617 87 HD3 LYS 11 HD3 LYS 11 13.307 -13.547 7.506 88 HE2 LYS 11 HE2 LYS 11 15.143 -13.322 6.095 89 HE3 LYS 11 HE3 LYS 11 14.567 -11.667 6.280 90 HZ1 LYS 11 HZ1 LYS 11 16.620 -11.162 6.904 91 HZ2 LYS 11 HZ2 LYS 11 17.083 -12.787 6.995 92 HZ3 LYS 11 HZ3 LYS 11 16.357 -12.039 8.327 93 H GLU 12 H GLU 12 9.936 -8.427 8.189 94 HA GLU 12 HA GLU 12 11.623 -6.398 9.308 95 HB2 GLU 12 HB2 GLU 12 11.695 -6.990 6.388 96 HB3 GLU 12 HB3 GLU 12 11.733 -5.306 6.890 97 HG2 GLU 12 HG2 GLU 12 13.648 -6.056 8.449 98 HG3 GLU 12 HG3 GLU 12 13.728 -7.470 7.399 99 H ARG 13 H ARG 13 10.511 -4.544 9.673 100 HA ARG 13 HA ARG 13 7.687 -4.577 9.321 101 HB2 ARG 13 HB2 ARG 13 7.815 -2.259 10.281 102 HB3 ARG 13 HB3 ARG 13 8.559 -3.509 11.270 103 HG2 ARG 13 HG2 ARG 13 10.455 -2.309 9.439 104 HG3 ARG 13 HG3 ARG 13 9.700 -1.116 10.498 105 HD2 ARG 13 HD2 ARG 13 10.448 -3.531 11.922 106 HD3 ARG 13 HD3 ARG 13 11.828 -2.777 11.125 107 HE ARG 13 HE ARG 13 10.360 -0.804 12.481 108 HH11 ARG 13 HH11 ARG 13 12.401 -3.548 13.129 109 HH12 ARG 13 HH12 ARG 13 12.975 -2.929 14.643 110 HH21 ARG 13 HH21 ARG 13 11.107 0.022 14.471 111 HH22 ARG 13 HH22 ARG 13 12.238 -0.899 15.405 112 H SER 14 H SER 14 10.353 -3.058 7.635 113 HA SER 14 HA SER 14 8.758 -1.264 6.095 114 HB2 SER 14 HB2 SER 14 10.986 -1.476 4.604 115 HB3 SER 14 HB3 SER 14 10.914 -0.504 6.073 116 HG SER 14 HG SER 14 12.503 -2.540 5.573 117 H ASN 15 H ASN 15 10.317 -4.377 5.363 118 HA ASN 15 HA ASN 15 9.278 -4.560 2.731 119 HB2 ASN 15 HB2 ASN 15 11.177 -5.876 3.109 120 HB3 ASN 15 HB3 ASN 15 10.548 -6.517 4.624 121 HD21 ASN 15 HD21 ASN 15 9.765 -8.493 4.572 122 HD22 ASN 15 HD22 ASN 15 9.228 -9.337 3.164 123 H GLN 16 H GLN 16 7.931 -5.148 5.824 124 HA GLN 16 HA GLN 16 6.049 -7.135 5.260 125 HB2 GLN 16 HB2 GLN 16 6.553 -6.356 7.533 126 HB3 GLN 16 HB3 GLN 16 5.808 -4.804 7.171 127 HG2 GLN 16 HG2 GLN 16 4.019 -5.734 8.147 128 HG3 GLN 16 HG3 GLN 16 3.775 -6.448 6.553 129 HE21 GLN 16 HE21 GLN 16 4.992 -7.008 9.785 130 HE22 GLN 16 HE22 GLN 16 4.917 -8.733 9.723 131 H ALA 17 H ALA 17 5.639 -3.594 5.203 132 HA ALA 17 HA ALA 17 3.023 -3.453 4.356 133 HB1 ALA 17 HB1 ALA 17 4.796 -1.499 3.070 134 HB2 ALA 17 HB2 ALA 17 3.402 -1.252 4.122 135 HB3 ALA 17 HB3 ALA 17 4.977 -1.631 4.819 136 H GLU 18 H GLU 18 5.938 -3.770 2.353 137 HA GLU 18 HA GLU 18 4.771 -3.588 -0.155 138 HB2 GLU 18 HB2 GLU 18 7.199 -3.648 0.218 139 HB3 GLU 18 HB3 GLU 18 7.087 -5.340 0.681 140 HG2 GLU 18 HG2 GLU 18 5.944 -5.489 -1.726 141 HG3 GLU 18 HG3 GLU 18 6.986 -4.093 -1.991 142 H ASN 19 H ASN 19 5.224 -6.461 1.882 143 HA ASN 19 HA ASN 19 4.103 -8.304 0.063 144 HB2 ASN 19 HB2 ASN 19 4.433 -8.391 3.064 145 HB3 ASN 19 HB3 ASN 19 3.830 -9.750 2.120 146 HD21 ASN 19 HD21 ASN 19 6.112 -9.885 3.694 147 HD22 ASN 19 HD22 ASN 19 7.485 -10.099 2.667 148 H ILE 20 H ILE 20 2.712 -6.348 2.647 149 HA ILE 20 HA ILE 20 0.166 -7.496 2.734 150 HB ILE 20 HB ILE 20 0.950 -4.620 3.220 151 HG12 ILE 20 HG12 ILE 20 0.410 -6.752 5.280 152 HG13 ILE 20 HG13 ILE 20 2.017 -6.501 4.607 153 HG21 ILE 20 HG21 ILE 20 -1.133 -4.490 4.528 154 HG22 ILE 20 HG22 ILE 20 -1.430 -4.785 2.815 155 HG23 ILE 20 HG23 ILE 20 -1.561 -6.109 3.973 156 HD11 ILE 20 HD11 ILE 20 0.711 -4.074 5.602 157 HD12 ILE 20 HD12 ILE 20 1.071 -5.291 6.828 158 HD13 ILE 20 HD13 ILE 20 2.365 -4.650 5.814 159 H ILE 21 H ILE 21 1.220 -4.594 0.945 160 HA ILE 21 HA ILE 21 -1.122 -4.023 -0.384 161 HB ILE 21 HB ILE 21 1.679 -3.762 -1.486 162 HG12 ILE 21 HG12 ILE 21 -0.012 -1.690 -0.078 163 HG13 ILE 21 HG13 ILE 21 1.221 -2.653 0.729 164 HG21 ILE 21 HG21 ILE 21 0.020 -3.578 -3.244 165 HG22 ILE 21 HG22 ILE 21 -0.886 -2.400 -2.297 166 HG23 ILE 21 HG23 ILE 21 0.720 -1.997 -2.905 167 HD11 ILE 21 HD11 ILE 21 2.021 -0.424 0.124 168 HD12 ILE 21 HD12 ILE 21 2.930 -1.697 -0.693 169 HD13 ILE 21 HD13 ILE 21 1.709 -0.781 -1.574 170 H THR 22 H THR 22 1.397 -6.337 -1.287 171 HA THR 22 HA THR 22 0.472 -7.048 -3.812 172 HB THR 22 HB THR 22 1.586 -9.163 -2.013 173 HG1 THR 22 HG1 THR 22 2.902 -6.803 -2.877 174 HG21 THR 22 HG21 THR 22 2.898 -8.702 -4.547 175 HG22 THR 22 HG22 THR 22 1.158 -8.895 -4.757 176 HG23 THR 22 HG23 THR 22 2.094 -10.152 -3.948 177 H ASP 23 H ASP 23 -0.692 -7.948 -0.650 178 HA ASP 23 HA ASP 23 -2.190 -10.216 -1.318 179 HB2 ASP 23 HB2 ASP 23 -1.708 -9.463 1.003 180 HB3 ASP 23 HB3 ASP 23 -2.853 -8.142 0.782 181 H LEU 24 H LEU 24 -3.613 -7.029 -0.611 182 HA LEU 24 HA LEU 24 -6.093 -7.464 -1.704 183 HB2 LEU 24 HB2 LEU 24 -4.483 -4.922 -1.611 184 HB3 LEU 24 HB3 LEU 24 -6.188 -4.984 -2.050 185 HG LEU 24 HG LEU 24 -4.957 -5.614 0.628 186 HD11 LEU 24 HD11 LEU 24 -5.218 -3.270 0.291 187 HD12 LEU 24 HD12 LEU 24 -6.526 -3.806 1.346 188 HD13 LEU 24 HD13 LEU 24 -6.844 -3.485 -0.359 189 HD21 LEU 24 HD21 LEU 24 -7.797 -5.986 -0.316 190 HD22 LEU 24 HD22 LEU 24 -7.278 -6.047 1.369 191 HD23 LEU 24 HD23 LEU 24 -6.685 -7.246 0.219 192 H LEU 25 H LEU 25 -3.209 -6.213 -3.352 193 HA LEU 25 HA LEU 25 -4.340 -5.711 -5.845 194 HB2 LEU 25 HB2 LEU 25 -1.628 -6.235 -4.812 195 HB3 LEU 25 HB3 LEU 25 -1.858 -6.504 -6.537 196 HG LEU 25 HG LEU 25 -2.484 -4.217 -6.876 197 HD11 LEU 25 HD11 LEU 25 -2.265 -3.880 -3.888 198 HD12 LEU 25 HD12 LEU 25 -3.763 -3.896 -4.818 199 HD13 LEU 25 HD13 LEU 25 -2.590 -2.602 -5.060 200 HD21 LEU 25 HD21 LEU 25 -0.039 -4.547 -5.151 201 HD22 LEU 25 HD22 LEU 25 -0.428 -3.058 -6.015 202 HD23 LEU 25 HD23 LEU 25 -0.131 -4.549 -6.913 203 H ASP 26 H ASP 26 -3.010 -8.704 -4.515 204 HA ASP 26 HA ASP 26 -3.165 -10.251 -6.857 205 HB2 ASP 26 HB2 ASP 26 -1.958 -10.822 -4.690 206 HB3 ASP 26 HB3 ASP 26 -3.524 -11.319 -4.057 207 H ASP 27 H ASP 27 -5.365 -10.335 -4.046 208 HA ASP 27 HA ASP 27 -7.355 -11.864 -5.289 209 HB2 ASP 27 HB2 ASP 27 -7.397 -9.974 -2.946 210 HB3 ASP 27 HB3 ASP 27 -8.855 -10.803 -3.485 211 H LEU 28 H LEU 28 -6.517 -8.569 -5.662 212 HA LEU 28 HA LEU 28 -9.048 -7.555 -6.455 213 HB2 LEU 28 HB2 LEU 28 -6.266 -6.634 -6.434 214 HB3 LEU 28 HB3 LEU 28 -7.242 -5.964 -7.739 215 HG LEU 28 HG LEU 28 -8.020 -5.811 -4.832 216 HD11 LEU 28 HD11 LEU 28 -7.271 -3.286 -5.852 217 HD12 LEU 28 HD12 LEU 28 -5.953 -4.406 -6.195 218 HD13 LEU 28 HD13 LEU 28 -6.529 -4.201 -4.540 219 HD21 LEU 28 HD21 LEU 28 -9.967 -5.334 -5.870 220 HD22 LEU 28 HD22 LEU 28 -9.181 -4.908 -7.391 221 HD23 LEU 28 HD23 LEU 28 -9.221 -3.747 -6.063 222 H LYS 29 H LYS 29 -6.617 -9.417 -8.042 223 HA LYS 29 HA LYS 29 -6.910 -8.808 -10.700 224 HB2 LYS 29 HB2 LYS 29 -6.115 -10.984 -11.200 225 HB3 LYS 29 HB3 LYS 29 -5.390 -10.549 -9.658 226 HG2 LYS 29 HG2 LYS 29 -7.508 -11.798 -8.705 227 HG3 LYS 29 HG3 LYS 29 -7.451 -12.592 -10.281 228 HD2 LYS 29 HD2 LYS 29 -5.544 -13.710 -9.795 229 HD3 LYS 29 HD3 LYS 29 -4.879 -12.376 -8.849 230 HE2 LYS 29 HE2 LYS 29 -6.447 -12.947 -7.022 231 HE3 LYS 29 HE3 LYS 29 -7.000 -14.331 -7.964 232 HZ1 LYS 29 HZ1 LYS 29 -5.208 -15.512 -7.405 233 HZ2 LYS 29 HZ2 LYS 29 -4.974 -14.371 -6.178 234 HZ3 LYS 29 HZ3 LYS 29 -4.143 -14.220 -7.643 235 H THR 30 H THR 30 -9.120 -10.559 -8.623 236 HA THR 30 HA THR 30 -10.873 -11.198 -10.867 237 HB THR 30 HB THR 30 -12.291 -12.292 -9.089 238 HG1 THR 30 HG1 THR 30 -11.628 -11.283 -7.230 239 HG21 THR 30 HG21 THR 30 -11.011 -14.248 -9.064 240 HG22 THR 30 HG22 THR 30 -9.487 -13.362 -9.004 241 HG23 THR 30 HG23 THR 30 -10.431 -13.393 -10.492 242 H ASP 31 H ASP 31 -10.693 -9.073 -8.087 243 HA ASP 31 HA ASP 31 -13.374 -8.191 -8.099 244 HB2 ASP 31 HB2 ASP 31 -11.373 -7.844 -6.378 245 HB3 ASP 31 HB3 ASP 31 -11.206 -6.328 -7.258 246 H LEU 32 H LEU 32 -14.263 -6.224 -8.870 247 HA LEU 32 HA LEU 32 -12.764 -4.961 -11.065 248 HB2 LEU 32 HB2 LEU 32 -15.724 -5.484 -11.140 249 HB3 LEU 32 HB3 LEU 32 -14.689 -4.923 -12.452 250 HG LEU 32 HG LEU 32 -13.552 -7.313 -11.958 251 HD11 LEU 32 HD11 LEU 32 -15.484 -8.923 -11.731 252 HD12 LEU 32 HD12 LEU 32 -16.444 -7.555 -11.170 253 HD13 LEU 32 HD13 LEU 32 -15.019 -8.061 -10.264 254 HD21 LEU 32 HD21 LEU 32 -14.406 -6.363 -14.108 255 HD22 LEU 32 HD22 LEU 32 -16.003 -6.977 -13.679 256 HD23 LEU 32 HD23 LEU 32 -14.662 -8.098 -13.921 257 H ASP 33 H ASP 33 -13.418 -4.257 -8.198 258 HA ASP 33 HA ASP 33 -15.126 -1.925 -8.493 259 HB2 ASP 33 HB2 ASP 33 -13.694 -3.122 -6.117 260 HB3 ASP 33 HB3 ASP 33 -14.633 -1.633 -6.033 261 H ASN 34 H ASN 34 -11.956 -2.321 -6.916 262 HA ASN 34 HA ASN 34 -11.259 0.408 -7.464 263 HB2 ASN 34 HB2 ASN 34 -9.964 -1.892 -6.063 264 HB3 ASN 34 HB3 ASN 34 -8.953 -0.540 -6.565 265 HD21 ASN 34 HD21 ASN 34 -8.753 -0.621 -4.112 266 HD22 ASN 34 HD22 ASN 34 -9.837 0.396 -3.231 267 H GLU 35 H GLU 35 -11.644 -0.103 -9.873 268 HA GLU 35 HA GLU 35 -9.668 -1.543 -11.309 269 HB2 GLU 35 HB2 GLU 35 -11.938 0.224 -11.959 270 HB3 GLU 35 HB3 GLU 35 -10.646 0.201 -13.151 271 HG2 GLU 35 HG2 GLU 35 -10.893 -2.414 -12.824 272 HG3 GLU 35 HG3 GLU 35 -12.521 -1.944 -12.340 273 H SER 36 H SER 36 -10.137 1.920 -10.672 274 HA SER 36 HA SER 36 -7.498 2.477 -11.811 275 HB2 SER 36 HB2 SER 36 -8.685 4.875 -10.911 276 HB3 SER 36 HB3 SER 36 -8.524 4.316 -12.576 277 HG SER 36 HG SER 36 -10.711 4.119 -10.829 278 H LEU 37 H LEU 37 -9.191 2.309 -8.798 279 HA LEU 37 HA LEU 37 -7.588 3.921 -7.183 280 HB2 LEU 37 HB2 LEU 37 -9.780 2.471 -6.747 281 HB3 LEU 37 HB3 LEU 37 -8.590 1.361 -6.071 282 HG LEU 37 HG LEU 37 -9.473 2.650 -4.279 283 HD11 LEU 37 HD11 LEU 37 -6.891 2.346 -4.618 284 HD12 LEU 37 HD12 LEU 37 -7.519 3.331 -3.297 285 HD13 LEU 37 HD13 LEU 37 -6.919 4.104 -4.765 286 HD21 LEU 37 HD21 LEU 37 -9.818 4.928 -4.265 287 HD22 LEU 37 HD22 LEU 37 -10.168 4.530 -5.947 288 HD23 LEU 37 HD23 LEU 37 -8.608 5.228 -5.512 289 H LYS 38 H LYS 38 -7.146 0.604 -8.272 290 HA LYS 38 HA LYS 38 -5.104 -0.253 -6.639 291 HB2 LYS 38 HB2 LYS 38 -5.791 -0.791 -9.502 292 HB3 LYS 38 HB3 LYS 38 -4.300 -1.446 -8.838 293 HG2 LYS 38 HG2 LYS 38 -5.388 -2.903 -7.460 294 HG3 LYS 38 HG3 LYS 38 -6.820 -1.881 -7.326 295 HD2 LYS 38 HD2 LYS 38 -7.502 -3.717 -8.624 296 HD3 LYS 38 HD3 LYS 38 -7.230 -2.416 -9.785 297 HE2 LYS 38 HE2 LYS 38 -5.021 -4.320 -9.131 298 HE3 LYS 38 HE3 LYS 38 -6.293 -4.806 -10.250 299 HZ1 LYS 38 HZ1 LYS 38 -4.778 -3.885 -11.669 300 HZ2 LYS 38 HZ2 LYS 38 -4.246 -2.728 -10.556 301 HZ3 LYS 38 HZ3 LYS 38 -5.731 -2.524 -11.341 302 H LYS 39 H LYS 39 -4.995 2.080 -9.225 303 HA LYS 39 HA LYS 39 -2.296 2.158 -9.821 304 HB2 LYS 39 HB2 LYS 39 -2.672 4.261 -10.753 305 HB3 LYS 39 HB3 LYS 39 -4.267 3.520 -10.801 306 HG2 LYS 39 HG2 LYS 39 -4.694 4.701 -8.581 307 HG3 LYS 39 HG3 LYS 39 -3.248 5.643 -8.947 308 HD2 LYS 39 HD2 LYS 39 -5.715 5.430 -10.672 309 HD3 LYS 39 HD3 LYS 39 -5.260 6.814 -9.674 310 HE2 LYS 39 HE2 LYS 39 -3.737 5.721 -12.038 311 HE3 LYS 39 HE3 LYS 39 -4.670 7.216 -11.993 312 HZ1 LYS 39 HZ1 LYS 39 -2.658 8.089 -11.547 313 HZ2 LYS 39 HZ2 LYS 39 -2.028 6.647 -10.927 314 HZ3 LYS 39 HZ3 LYS 39 -3.015 7.623 -9.961 315 H VAL 40 H VAL 40 -3.990 3.408 -7.022 316 HA VAL 40 HA VAL 40 -1.882 5.012 -6.011 317 HB VAL 40 HB VAL 40 -4.385 3.863 -4.849 318 HG11 VAL 40 HG11 VAL 40 -2.120 5.073 -3.275 319 HG12 VAL 40 HG12 VAL 40 -3.778 4.975 -2.677 320 HG13 VAL 40 HG13 VAL 40 -2.882 3.500 -3.042 321 HG21 VAL 40 HG21 VAL 40 -4.941 6.179 -4.496 322 HG22 VAL 40 HG22 VAL 40 -3.310 6.680 -4.944 323 HG23 VAL 40 HG23 VAL 40 -4.378 5.972 -6.155 324 H LEU 41 H LEU 41 -3.027 1.778 -5.026 325 HA LEU 41 HA LEU 41 -0.963 1.272 -3.197 326 HB2 LEU 41 HB2 LEU 41 -2.832 -0.486 -4.742 327 HB3 LEU 41 HB3 LEU 41 -1.579 -1.181 -3.717 328 HG LEU 41 HG LEU 41 -3.666 -1.157 -2.524 329 HD11 LEU 41 HD11 LEU 41 -1.958 1.070 -1.435 330 HD12 LEU 41 HD12 LEU 41 -1.537 -0.638 -1.319 331 HD13 LEU 41 HD13 LEU 41 -2.995 -0.035 -0.533 332 HD21 LEU 41 HD21 LEU 41 -5.098 0.613 -2.349 333 HD22 LEU 41 HD22 LEU 41 -4.412 0.942 -3.940 334 HD23 LEU 41 HD23 LEU 41 -3.816 1.813 -2.525 335 H GLU 42 H GLU 42 -1.318 0.241 -6.589 336 HA GLU 42 HA GLU 42 1.069 -1.161 -6.828 337 HB2 GLU 42 HB2 GLU 42 -0.514 0.413 -8.856 338 HB3 GLU 42 HB3 GLU 42 0.900 -0.539 -9.288 339 HG2 GLU 42 HG2 GLU 42 -0.964 -2.081 -7.713 340 HG3 GLU 42 HG3 GLU 42 -1.730 -1.410 -9.152 341 H ASN 43 H ASN 43 0.456 2.237 -7.726 342 HA ASN 43 HA ASN 43 3.005 2.952 -8.483 343 HB2 ASN 43 HB2 ASN 43 1.070 4.431 -8.744 344 HB3 ASN 43 HB3 ASN 43 0.984 4.649 -6.999 345 HD21 ASN 43 HD21 ASN 43 1.118 6.928 -7.668 346 HD22 ASN 43 HD22 ASN 43 2.685 7.627 -7.874 347 H TYR 44 H TYR 44 1.642 3.708 -5.273 348 HA TYR 44 HA TYR 44 3.990 4.458 -4.037 349 HB2 TYR 44 HB2 TYR 44 1.472 3.207 -2.970 350 HB3 TYR 44 HB3 TYR 44 2.809 3.611 -1.898 351 HD1 TYR 44 HD1 TYR 44 3.772 6.128 -2.524 352 HD2 TYR 44 HD2 TYR 44 -0.231 4.749 -2.951 353 HE1 TYR 44 HE1 TYR 44 2.965 8.447 -2.382 354 HE2 TYR 44 HE2 TYR 44 -1.049 7.065 -2.811 355 HH TYR 44 HH TYR 44 0.443 9.472 -1.591 356 H LEU 45 H LEU 45 2.631 1.215 -4.399 357 HA LEU 45 HA LEU 45 4.392 -0.190 -2.765 358 HB2 LEU 45 HB2 LEU 45 2.492 -1.317 -3.586 359 HB3 LEU 45 HB3 LEU 45 2.907 -0.955 -5.261 360 HG LEU 45 HG LEU 45 5.015 -2.504 -4.151 361 HD11 LEU 45 HD11 LEU 45 3.461 -3.264 -2.456 362 HD12 LEU 45 HD12 LEU 45 3.788 -4.561 -3.605 363 HD13 LEU 45 HD13 LEU 45 2.271 -3.666 -3.694 364 HD21 LEU 45 HD21 LEU 45 3.811 -4.165 -5.863 365 HD22 LEU 45 HD22 LEU 45 4.795 -2.798 -6.386 366 HD23 LEU 45 HD23 LEU 45 3.036 -2.656 -6.344 367 H GLU 46 H GLU 46 4.775 0.982 -6.051 368 HA GLU 46 HA GLU 46 7.230 -0.432 -6.518 369 HB2 GLU 46 HB2 GLU 46 5.384 0.878 -8.115 370 HB3 GLU 46 HB3 GLU 46 6.795 1.925 -8.178 371 HG2 GLU 46 HG2 GLU 46 6.553 -0.938 -9.025 372 HG3 GLU 46 HG3 GLU 46 7.036 0.462 -9.982 373 H GLU 47 H GLU 47 6.327 2.552 -5.053 374 HA GLU 47 HA GLU 47 8.718 4.002 -5.400 375 HB2 GLU 47 HB2 GLU 47 6.741 4.148 -3.118 376 HB3 GLU 47 HB3 GLU 47 7.950 5.362 -3.511 377 HG2 GLU 47 HG2 GLU 47 5.897 4.554 -5.526 378 HG3 GLU 47 HG3 GLU 47 5.511 5.719 -4.260 379 H LEU 48 H LEU 48 7.582 2.166 -2.558 380 HA LEU 48 HA LEU 48 9.820 2.370 -0.978 381 HB2 LEU 48 HB2 LEU 48 9.138 0.063 -0.122 382 HB3 LEU 48 HB3 LEU 48 7.963 1.372 0.002 383 HG LEU 48 HG LEU 48 7.176 0.330 -2.328 384 HD11 LEU 48 HD11 LEU 48 9.006 -1.395 -2.165 385 HD12 LEU 48 HD12 LEU 48 7.378 -2.023 -2.418 386 HD13 LEU 48 HD13 LEU 48 8.111 -2.094 -0.815 387 HD21 LEU 48 HD21 LEU 48 5.985 -1.329 -0.384 388 HD22 LEU 48 HD22 LEU 48 5.361 0.175 -1.063 389 HD23 LEU 48 HD23 LEU 48 6.346 0.209 0.400 390 H LYS 49 H LYS 49 9.386 0.506 -3.864 391 HA LYS 49 HA LYS 49 11.476 -1.359 -3.506 392 HB2 LYS 49 HB2 LYS 49 10.507 -0.243 -6.138 393 HB3 LYS 49 HB3 LYS 49 11.281 -1.798 -5.859 394 HG2 LYS 49 HG2 LYS 49 8.603 -1.024 -4.725 395 HG3 LYS 49 HG3 LYS 49 8.826 -1.917 -6.231 396 HD2 LYS 49 HD2 LYS 49 10.074 -3.647 -4.944 397 HD3 LYS 49 HD3 LYS 49 9.662 -2.780 -3.463 398 HE2 LYS 49 HE2 LYS 49 8.047 -4.473 -3.641 399 HE3 LYS 49 HE3 LYS 49 7.235 -3.011 -4.200 400 HZ1 LYS 49 HZ1 LYS 49 6.903 -5.062 -5.588 401 HZ2 LYS 49 HZ2 LYS 49 8.523 -4.925 -6.056 402 HZ3 LYS 49 HZ3 LYS 49 7.427 -3.690 -6.429 403 H GLN 50 H GLN 50 11.378 1.798 -5.136 404 HA GLN 50 HA GLN 50 14.182 1.737 -5.753 405 HB2 GLN 50 HB2 GLN 50 12.420 4.179 -5.793 406 HB3 GLN 50 HB3 GLN 50 13.862 3.862 -6.748 407 HG2 GLN 50 HG2 GLN 50 12.466 1.886 -7.701 408 HG3 GLN 50 HG3 GLN 50 11.095 2.810 -7.094 409 HE21 GLN 50 HE21 GLN 50 10.465 2.932 -9.337 410 HE22 GLN 50 HE22 GLN 50 11.162 4.142 -10.353 411 H LYS 51 H LYS 51 15.125 4.211 -5.176 412 HA LYS 51 HA LYS 51 15.118 4.267 -2.229 413 HB2 LYS 51 HB2 LYS 51 17.460 5.214 -2.487 414 HB3 LYS 51 HB3 LYS 51 17.261 3.514 -2.895 415 HG2 LYS 51 HG2 LYS 51 17.605 3.863 -5.127 416 HG3 LYS 51 HG3 LYS 51 17.025 5.530 -5.068 417 HD2 LYS 51 HD2 LYS 51 19.294 5.839 -5.342 418 HD3 LYS 51 HD3 LYS 51 19.140 5.914 -3.586 419 HE2 LYS 51 HE2 LYS 51 19.855 3.624 -3.378 420 HE3 LYS 51 HE3 LYS 51 19.858 3.425 -5.129 421 HZ1 LYS 51 HZ1 LYS 51 21.513 5.462 -4.920 422 HZ2 LYS 51 HZ2 LYS 51 22.042 3.859 -4.818 423 HZ3 LYS 51 HZ3 LYS 51 21.796 4.760 -3.408 424 H SER 52 H SER 52 13.732 5.827 -4.571 425 HA SER 52 HA SER 52 14.587 8.539 -4.016 426 HB2 SER 52 HB2 SER 52 12.407 7.405 -5.779 427 HB3 SER 52 HB3 SER 52 12.715 9.133 -5.602 428 HG SER 52 HG SER 52 13.797 7.775 -7.377 429 H ALA 53 H ALA 53 12.906 6.455 -2.255 430 HA ALA 53 HA ALA 53 11.596 8.496 -0.735 431 HB1 ALA 53 HB1 ALA 53 9.322 7.688 -0.935 432 HB2 ALA 53 HB2 ALA 53 9.937 8.155 -2.522 433 HB3 ALA 53 HB3 ALA 53 9.836 6.450 -2.081 434 H SER 54 H SER 54 11.492 7.910 1.353 435 HA SER 54 HA SER 54 12.565 5.374 2.137 436 HB2 SER 54 HB2 SER 54 11.242 7.220 4.088 437 HB3 SER 54 HB3 SER 54 12.705 6.253 4.278 438 HG SER 54 HG SER 54 13.860 7.761 3.270 439 H VAL 55 H VAL 55 11.530 3.844 3.549 440 HA VAL 55 HA VAL 55 9.106 2.879 2.659 441 HB VAL 55 HB VAL 55 10.725 2.415 5.109 442 HG11 VAL 55 HG11 VAL 55 8.927 0.698 5.778 443 HG12 VAL 55 HG12 VAL 55 8.674 2.389 6.215 444 HG13 VAL 55 HG13 VAL 55 7.828 1.699 4.830 445 HG21 VAL 55 HG21 VAL 55 9.591 0.169 3.615 446 HG22 VAL 55 HG22 VAL 55 10.575 1.258 2.638 447 HG23 VAL 55 HG23 VAL 55 11.261 0.498 4.074 448 HA PRO 56 HA PRO 56 6.897 4.942 6.434 449 HB2 PRO 56 HB2 PRO 56 8.303 6.798 7.830 450 HB3 PRO 56 HB3 PRO 56 8.317 5.078 8.235 451 HG2 PRO 56 HG2 PRO 56 10.326 6.679 6.698 452 HG3 PRO 56 HG3 PRO 56 10.595 5.444 7.942 453 HD2 PRO 56 HD2 PRO 56 10.835 4.922 5.295 454 HD3 PRO 56 HD3 PRO 56 10.280 3.705 6.462 455 H LEU 57 H LEU 57 8.963 6.618 4.246 456 HA LEU 57 HA LEU 57 7.553 9.132 4.405 457 HB2 LEU 57 HB2 LEU 57 9.866 8.052 2.914 458 HB3 LEU 57 HB3 LEU 57 8.964 9.349 2.133 459 HG LEU 57 HG LEU 57 10.967 10.091 3.427 460 HD11 LEU 57 HD11 LEU 57 8.395 11.181 4.544 461 HD12 LEU 57 HD12 LEU 57 8.969 11.526 2.912 462 HD13 LEU 57 HD13 LEU 57 9.923 12.029 4.307 463 HD21 LEU 57 HD21 LEU 57 10.156 8.352 5.326 464 HD22 LEU 57 HD22 LEU 57 9.507 9.859 5.973 465 HD23 LEU 57 HD23 LEU 57 11.232 9.716 5.632 466 H ILE 58 H ILE 58 7.347 6.197 2.587 467 HA ILE 58 HA ILE 58 5.628 7.385 0.558 468 HB ILE 58 HB ILE 58 6.498 4.514 0.912 469 HG12 ILE 58 HG12 ILE 58 7.450 6.300 -1.289 470 HG13 ILE 58 HG13 ILE 58 8.184 6.455 0.303 471 HG21 ILE 58 HG21 ILE 58 5.034 3.972 -0.665 472 HG22 ILE 58 HG22 ILE 58 4.424 5.626 -0.645 473 HG23 ILE 58 HG23 ILE 58 5.722 5.179 -1.751 474 HD11 ILE 58 HD11 ILE 58 8.908 4.688 -1.690 475 HD12 ILE 58 HD12 ILE 58 9.409 4.633 0.000 476 HD13 ILE 58 HD13 ILE 58 8.017 3.695 -0.538 477 H LEU 59 H LEU 59 5.422 4.785 2.987 478 HA LEU 59 HA LEU 59 2.712 4.208 2.669 479 HB2 LEU 59 HB2 LEU 59 4.567 3.960 5.017 480 HB3 LEU 59 HB3 LEU 59 2.886 3.439 5.097 481 HG LEU 59 HG LEU 59 5.001 2.339 3.247 482 HD11 LEU 59 HD11 LEU 59 4.555 1.806 5.934 483 HD12 LEU 59 HD12 LEU 59 5.453 0.809 4.792 484 HD13 LEU 59 HD13 LEU 59 3.743 0.493 5.080 485 HD21 LEU 59 HD21 LEU 59 2.093 1.632 3.608 486 HD22 LEU 59 HD22 LEU 59 3.259 0.638 2.733 487 HD23 LEU 59 HD23 LEU 59 2.869 2.257 2.152 488 H SER 60 H SER 60 4.320 6.723 4.507 489 HA SER 60 HA SER 60 2.218 7.544 6.143 490 HB2 SER 60 HB2 SER 60 4.651 8.867 5.031 491 HB3 SER 60 HB3 SER 60 3.423 9.884 5.784 492 HG SER 60 HG SER 60 5.126 9.034 7.201 493 H ARG 61 H ARG 61 3.163 8.838 2.958 494 HA ARG 61 HA ARG 61 0.841 10.488 2.749 495 HB2 ARG 61 HB2 ARG 61 3.170 9.823 1.047 496 HB3 ARG 61 HB3 ARG 61 1.717 10.335 0.200 497 HG2 ARG 61 HG2 ARG 61 2.946 12.292 0.524 498 HG3 ARG 61 HG3 ARG 61 1.699 12.336 1.772 499 HD2 ARG 61 HD2 ARG 61 3.361 11.368 3.361 500 HD3 ARG 61 HD3 ARG 61 4.588 11.542 2.106 501 HE ARG 61 HE ARG 61 3.471 13.627 3.742 502 HH11 ARG 61 HH11 ARG 61 5.073 12.881 0.744 503 HH12 ARG 61 HH12 ARG 61 5.735 14.471 0.551 504 HH21 ARG 61 HH21 ARG 61 4.335 15.723 3.500 505 HH22 ARG 61 HH22 ARG 61 5.316 16.086 2.121 506 H MET 62 H MET 62 1.679 7.247 1.754 507 HA MET 62 HA MET 62 -0.205 6.736 -0.197 508 HB2 MET 62 HB2 MET 62 1.548 5.146 0.487 509 HB3 MET 62 HB3 MET 62 0.693 4.857 1.996 510 HG2 MET 62 HG2 MET 62 -1.177 3.909 0.795 511 HG3 MET 62 HG3 MET 62 -0.402 4.275 -0.745 512 HE1 MET 62 HE1 MET 62 -1.135 1.641 1.755 513 HE2 MET 62 HE2 MET 62 0.357 0.733 2.001 514 HE3 MET 62 HE3 MET 62 0.192 2.356 2.673 515 H ASN 63 H ASN 63 -0.606 6.027 3.280 516 HA ASN 63 HA ASN 63 -3.277 5.317 3.218 517 HB2 ASN 63 HB2 ASN 63 -1.376 5.631 5.185 518 HB3 ASN 63 HB3 ASN 63 -2.554 6.874 5.594 519 HD21 ASN 63 HD21 ASN 63 -3.995 6.218 6.997 520 HD22 ASN 63 HD22 ASN 63 -4.640 4.622 7.133 521 H LEU 64 H LEU 64 -1.824 8.505 3.245 522 HA LEU 64 HA LEU 64 -4.233 9.934 3.774 523 HB2 LEU 64 HB2 LEU 64 -1.703 10.893 2.444 524 HB3 LEU 64 HB3 LEU 64 -2.976 11.909 3.117 525 HG LEU 64 HG LEU 64 -1.380 10.003 4.808 526 HD11 LEU 64 HD11 LEU 64 -0.498 12.444 3.554 527 HD12 LEU 64 HD12 LEU 64 0.408 11.288 4.530 528 HD13 LEU 64 HD13 LEU 64 -0.488 12.590 5.312 529 HD21 LEU 64 HD21 LEU 64 -3.421 12.090 5.249 530 HD22 LEU 64 HD22 LEU 64 -2.082 12.048 6.395 531 HD23 LEU 64 HD23 LEU 64 -3.085 10.616 6.158 532 H ASP 65 H ASP 65 -2.701 8.682 0.911 533 HA ASP 65 HA ASP 65 -4.392 10.195 -0.890 534 HB2 ASP 65 HB2 ASP 65 -1.932 9.299 -1.255 535 HB3 ASP 65 HB3 ASP 65 -2.776 7.850 -1.795 536 H ILE 66 H ILE 66 -4.209 6.957 0.449 537 HA ILE 66 HA ILE 66 -6.141 5.767 -1.248 538 HB ILE 66 HB ILE 66 -5.278 4.995 1.542 539 HG12 ILE 66 HG12 ILE 66 -4.479 3.870 -1.152 540 HG13 ILE 66 HG13 ILE 66 -3.497 4.972 -0.193 541 HG21 ILE 66 HG21 ILE 66 -6.220 2.767 0.949 542 HG22 ILE 66 HG22 ILE 66 -7.431 4.036 1.122 543 HG23 ILE 66 HG23 ILE 66 -6.936 3.503 -0.483 544 HD11 ILE 66 HD11 ILE 66 -2.678 2.766 0.139 545 HD12 ILE 66 HD12 ILE 66 -3.497 3.262 1.621 546 HD13 ILE 66 HD13 ILE 66 -4.294 2.158 0.499 547 H SER 67 H SER 67 -6.394 6.920 2.119 548 HA SER 67 HA SER 67 -9.102 6.506 2.490 549 HB2 SER 67 HB2 SER 67 -7.548 7.183 4.288 550 HB3 SER 67 HB3 SER 67 -7.455 8.799 3.588 551 HG SER 67 HG SER 67 -9.028 9.042 5.029 552 H LYS 68 H LYS 68 -7.492 9.429 1.257 553 HA LYS 68 HA LYS 68 -9.843 10.919 0.829 554 HB2 LYS 68 HB2 LYS 68 -8.489 12.455 -0.362 555 HB3 LYS 68 HB3 LYS 68 -7.459 11.784 0.895 556 HG2 LYS 68 HG2 LYS 68 -6.321 10.398 -0.661 557 HG3 LYS 68 HG3 LYS 68 -7.488 10.764 -1.934 558 HD2 LYS 68 HD2 LYS 68 -5.474 12.031 -2.319 559 HD3 LYS 68 HD3 LYS 68 -6.769 13.134 -1.849 560 HE2 LYS 68 HE2 LYS 68 -5.876 12.971 0.510 561 HE3 LYS 68 HE3 LYS 68 -4.475 12.144 -0.170 562 HZ1 LYS 68 HZ1 LYS 68 -4.443 14.704 0.180 563 HZ2 LYS 68 HZ2 LYS 68 -5.285 14.737 -1.286 564 HZ3 LYS 68 HZ3 LYS 68 -3.748 14.034 -1.209 565 H ALA 69 H ALA 69 -8.176 8.530 -1.104 566 HA ALA 69 HA ALA 69 -9.469 9.064 -3.566 567 HB1 ALA 69 HB1 ALA 69 -8.642 6.903 -4.274 568 HB2 ALA 69 HB2 ALA 69 -7.389 7.759 -3.372 569 HB3 ALA 69 HB3 ALA 69 -8.298 6.458 -2.602 570 H ILE 70 H ILE 70 -10.481 7.477 -0.684 571 HA ILE 70 HA ILE 70 -12.431 5.738 -1.735 572 HB ILE 70 HB ILE 70 -12.567 7.128 0.939 573 HG12 ILE 70 HG12 ILE 70 -11.061 4.633 0.127 574 HG13 ILE 70 HG13 ILE 70 -10.364 6.139 0.715 575 HG21 ILE 70 HG21 ILE 70 -14.585 5.913 0.237 576 HG22 ILE 70 HG22 ILE 70 -13.620 4.452 0.033 577 HG23 ILE 70 HG23 ILE 70 -13.812 5.166 1.634 578 HD11 ILE 70 HD11 ILE 70 -11.540 5.760 2.871 579 HD12 ILE 70 HD12 ILE 70 -12.030 4.177 2.264 580 HD13 ILE 70 HD13 ILE 70 -10.319 4.548 2.482 581 H ARG 71 H ARG 71 -13.078 8.769 0.029 582 HA ARG 71 HA ARG 71 -15.717 9.040 -0.826 583 HB2 ARG 71 HB2 ARG 71 -13.886 11.341 -0.150 584 HB3 ARG 71 HB3 ARG 71 -15.633 11.270 0.031 585 HG2 ARG 71 HG2 ARG 71 -14.879 9.185 1.582 586 HG3 ARG 71 HG3 ARG 71 -13.507 10.276 1.789 587 HD2 ARG 71 HD2 ARG 71 -15.009 12.067 2.458 588 HD3 ARG 71 HD3 ARG 71 -16.402 11.021 2.188 589 HE ARG 71 HE ARG 71 -16.027 10.070 4.231 590 HH11 ARG 71 HH11 ARG 71 -13.145 11.742 3.220 591 HH12 ARG 71 HH12 ARG 71 -12.325 11.508 4.728 592 HH21 ARG 71 HH21 ARG 71 -14.956 9.756 6.220 593 HH22 ARG 71 HH22 ARG 71 -13.354 10.378 6.433 594 H ASN 72 H ASN 72 -12.784 10.617 -2.091 595 HA ASN 72 HA ASN 72 -13.917 12.129 -4.099 596 HB2 ASN 72 HB2 ASN 72 -11.247 10.799 -3.802 597 HB3 ASN 72 HB3 ASN 72 -11.651 11.609 -5.312 598 HD21 ASN 72 HD21 ASN 72 -11.690 12.142 -1.811 599 HD22 ASN 72 HD22 ASN 72 -11.224 13.805 -1.886 600 H ASP 73 H ASP 73 -12.177 9.133 -4.884 601 HA ASP 73 HA ASP 73 -13.294 8.731 -7.374 602 HB2 ASP 73 HB2 ASP 73 -11.350 7.489 -6.213 603 HB3 ASP 73 HB3 ASP 73 -12.597 6.419 -5.578 604 H GLY 74 H GLY 74 -14.263 7.004 -4.399 605 HA2 GLY 74 HA2 GLY 74 -16.688 7.027 -3.871 606 HA3 GLY 74 HA3 GLY 74 -16.959 6.745 -5.584 607 H VAL 75 H VAL 75 -14.291 5.114 -4.174 608 HA VAL 75 HA VAL 75 -15.624 2.565 -4.576 609 HB VAL 75 HB VAL 75 -13.382 1.595 -4.051 610 HG11 VAL 75 HG11 VAL 75 -13.865 3.521 -6.270 611 HG12 VAL 75 HG12 VAL 75 -12.263 2.796 -6.107 612 HG13 VAL 75 HG13 VAL 75 -13.681 1.767 -6.317 613 HG21 VAL 75 HG21 VAL 75 -12.658 3.501 -2.604 614 HG22 VAL 75 HG22 VAL 75 -11.465 3.000 -3.801 615 HG23 VAL 75 HG23 VAL 75 -12.427 4.453 -4.072 616 H THR 76 H THR 76 -14.838 0.824 -2.862 617 HA THR 76 HA THR 76 -14.973 1.832 -0.136 618 HB THR 76 HB THR 76 -16.982 -0.242 -0.999 619 HG1 THR 76 HG1 THR 76 -17.336 2.577 -0.756 620 HG21 THR 76 HG21 THR 76 -17.149 -0.434 1.227 621 HG22 THR 76 HG22 THR 76 -17.928 1.147 1.192 622 HG23 THR 76 HG23 THR 76 -16.197 1.023 1.504 623 H LEU 77 H LEU 77 -13.503 0.763 0.998 624 HA LEU 77 HA LEU 77 -12.293 -1.634 0.013 625 HB2 LEU 77 HB2 LEU 77 -11.966 -0.364 2.725 626 HB3 LEU 77 HB3 LEU 77 -10.872 -1.507 1.948 627 HG LEU 77 HG LEU 77 -10.994 0.609 0.166 628 HD11 LEU 77 HD11 LEU 77 -11.953 1.621 2.554 629 HD12 LEU 77 HD12 LEU 77 -11.288 2.550 1.211 630 HD13 LEU 77 HD13 LEU 77 -10.248 2.073 2.552 631 HD21 LEU 77 HD21 LEU 77 -8.735 0.702 0.502 632 HD22 LEU 77 HD22 LEU 77 -9.084 -0.871 1.220 633 HD23 LEU 77 HD23 LEU 77 -8.876 0.545 2.253 634 H SER 78 H SER 78 -12.685 -3.698 0.540 635 HA SER 78 HA SER 78 -15.055 -4.381 1.943 636 HB2 SER 78 HB2 SER 78 -12.909 -6.405 1.438 637 HB3 SER 78 HB3 SER 78 -14.657 -6.559 1.262 638 HG SER 78 HG SER 78 -14.229 -4.862 -0.494 639 H ASP 79 H ASP 79 -14.753 -6.369 3.586 640 HA ASP 79 HA ASP 79 -13.977 -5.291 6.013 641 HB2 ASP 79 HB2 ASP 79 -14.390 -8.123 5.096 642 HB3 ASP 79 HB3 ASP 79 -13.875 -7.776 6.744 643 H TYR 80 H TYR 80 -12.269 -8.015 4.475 644 HA TYR 80 HA TYR 80 -9.972 -7.899 5.999 645 HB2 TYR 80 HB2 TYR 80 -8.873 -9.141 4.197 646 HB3 TYR 80 HB3 TYR 80 -10.499 -9.753 4.476 647 HD1 TYR 80 HD1 TYR 80 -12.333 -9.107 2.879 648 HD2 TYR 80 HD2 TYR 80 -8.231 -8.301 2.083 649 HE1 TYR 80 HE1 TYR 80 -12.861 -8.801 0.496 650 HE2 TYR 80 HE2 TYR 80 -8.748 -7.992 -0.301 651 HH TYR 80 HH TYR 80 -12.019 -7.861 -1.470 652 H GLN 81 H GLN 81 -10.861 -6.000 3.192 653 HA GLN 81 HA GLN 81 -8.343 -4.900 2.612 654 HB2 GLN 81 HB2 GLN 81 -11.088 -3.703 2.205 655 HB3 GLN 81 HB3 GLN 81 -9.607 -3.116 1.461 656 HG2 GLN 81 HG2 GLN 81 -9.503 -5.666 0.670 657 HG3 GLN 81 HG3 GLN 81 -11.249 -5.481 0.817 658 HE21 GLN 81 HE21 GLN 81 -9.793 -5.926 -1.585 659 HE22 GLN 81 HE22 GLN 81 -10.049 -4.557 -2.609 660 H SER 82 H SER 82 -11.059 -3.294 4.280 661 HA SER 82 HA SER 82 -9.706 -1.072 5.182 662 HB2 SER 82 HB2 SER 82 -11.969 -0.901 5.571 663 HB3 SER 82 HB3 SER 82 -12.106 -2.564 6.141 664 HG SER 82 HG SER 82 -11.564 -0.259 7.537 665 H LYS 83 H LYS 83 -9.779 -4.305 6.543 666 HA LYS 83 HA LYS 83 -8.561 -3.692 9.019 667 HB2 LYS 83 HB2 LYS 83 -8.927 -6.196 7.416 668 HB3 LYS 83 HB3 LYS 83 -7.881 -6.214 8.831 669 HG2 LYS 83 HG2 LYS 83 -9.817 -5.308 10.148 670 HG3 LYS 83 HG3 LYS 83 -10.821 -5.596 8.724 671 HD2 LYS 83 HD2 LYS 83 -11.101 -7.506 10.065 672 HD3 LYS 83 HD3 LYS 83 -9.963 -7.995 8.808 673 HE2 LYS 83 HE2 LYS 83 -9.079 -8.835 10.822 674 HE3 LYS 83 HE3 LYS 83 -8.120 -7.404 10.447 675 HZ1 LYS 83 HZ1 LYS 83 -10.270 -7.668 12.468 676 HZ2 LYS 83 HZ2 LYS 83 -9.662 -6.169 11.973 677 HZ3 LYS 83 HZ3 LYS 83 -8.641 -7.288 12.726 678 H LYS 84 H LYS 84 -7.193 -5.050 6.020 679 HA LYS 84 HA LYS 84 -4.526 -5.103 6.865 680 HB2 LYS 84 HB2 LYS 84 -4.015 -5.720 4.721 681 HB3 LYS 84 HB3 LYS 84 -5.745 -6.035 4.703 682 HG2 LYS 84 HG2 LYS 84 -5.637 -4.843 2.796 683 HG3 LYS 84 HG3 LYS 84 -5.763 -3.479 3.909 684 HD2 LYS 84 HD2 LYS 84 -3.153 -3.677 3.968 685 HD3 LYS 84 HD3 LYS 84 -3.382 -4.518 2.433 686 HE2 LYS 84 HE2 LYS 84 -4.980 -2.338 2.107 687 HE3 LYS 84 HE3 LYS 84 -3.680 -1.674 3.098 688 HZ1 LYS 84 HZ1 LYS 84 -2.200 -1.869 1.438 689 HZ2 LYS 84 HZ2 LYS 84 -3.568 -1.869 0.444 690 HZ3 LYS 84 HZ3 LYS 84 -2.834 -3.332 0.873 691 H LEU 85 H LEU 85 -6.533 -2.472 5.999 692 HA LEU 85 HA LEU 85 -4.564 -0.659 5.078 693 HB2 LEU 85 HB2 LEU 85 -7.105 -0.503 4.876 694 HB3 LEU 85 HB3 LEU 85 -7.079 0.117 6.526 695 HG LEU 85 HG LEU 85 -5.437 1.884 5.571 696 HD11 LEU 85 HD11 LEU 85 -5.098 0.833 3.405 697 HD12 LEU 85 HD12 LEU 85 -5.842 2.421 3.217 698 HD13 LEU 85 HD13 LEU 85 -6.822 0.964 3.055 699 HD21 LEU 85 HD21 LEU 85 -8.266 2.134 4.614 700 HD22 LEU 85 HD22 LEU 85 -7.210 3.368 5.301 701 HD23 LEU 85 HD23 LEU 85 -7.885 2.108 6.335 702 H LYS 86 H LYS 86 -5.789 -1.480 8.270 703 HA LYS 86 HA LYS 86 -4.471 0.639 9.645 704 HB2 LYS 86 HB2 LYS 86 -5.217 -0.375 11.630 705 HB3 LYS 86 HB3 LYS 86 -6.465 -0.750 10.449 706 HG2 LYS 86 HG2 LYS 86 -6.262 -2.863 11.096 707 HG3 LYS 86 HG3 LYS 86 -4.717 -2.877 10.243 708 HD2 LYS 86 HD2 LYS 86 -4.536 -1.709 12.906 709 HD3 LYS 86 HD3 LYS 86 -5.092 -3.384 12.926 710 HE2 LYS 86 HE2 LYS 86 -3.002 -3.346 11.087 711 HE3 LYS 86 HE3 LYS 86 -2.454 -2.314 12.408 712 HZ1 LYS 86 HZ1 LYS 86 -2.068 -4.098 13.635 713 HZ2 LYS 86 HZ2 LYS 86 -2.482 -5.086 12.327 714 HZ3 LYS 86 HZ3 LYS 86 -3.661 -4.638 13.454 715 H GLU 87 H GLU 87 -3.299 -2.095 8.131 716 HA GLU 87 HA GLU 87 -1.320 -3.040 9.859 717 HB2 GLU 87 HB2 GLU 87 -1.376 -2.893 6.842 718 HB3 GLU 87 HB3 GLU 87 -0.145 -3.756 7.753 719 HG2 GLU 87 HG2 GLU 87 -2.962 -4.415 8.354 720 HG3 GLU 87 HG3 GLU 87 -2.328 -4.932 6.793 721 H LEU 88 H LEU 88 -0.475 -1.167 6.971 722 HA LEU 88 HA LEU 88 1.946 -0.225 8.065 723 HB2 LEU 88 HB2 LEU 88 1.774 1.438 6.110 724 HB3 LEU 88 HB3 LEU 88 1.913 -0.282 5.754 725 HG LEU 88 HG LEU 88 0.240 1.174 4.415 726 HD11 LEU 88 HD11 LEU 88 -0.425 -0.822 3.719 727 HD12 LEU 88 HD12 LEU 88 -1.353 -1.069 5.198 728 HD13 LEU 88 HD13 LEU 88 0.345 -1.542 5.133 729 HD21 LEU 88 HD21 LEU 88 -1.917 1.468 5.354 730 HD22 LEU 88 HD22 LEU 88 -0.768 2.126 6.518 731 HD23 LEU 88 HD23 LEU 88 -1.494 0.542 6.793 732 H THR 89 H THR 89 -1.198 0.693 8.710 733 HA THR 89 HA THR 89 -0.936 3.494 9.005 734 HB THR 89 HB THR 89 -2.831 1.531 10.297 735 HG1 THR 89 HG1 THR 89 -2.936 3.281 8.073 736 HG21 THR 89 HG21 THR 89 -2.441 4.430 10.749 737 HG22 THR 89 HG22 THR 89 -3.093 3.192 11.823 738 HG23 THR 89 HG23 THR 89 -4.103 3.879 10.551 739 H SER 90 H SER 90 -0.830 0.875 11.423 740 HA SER 90 HA SER 90 0.006 2.642 13.517 741 HB2 SER 90 HB2 SER 90 -1.315 0.562 13.918 742 HB3 SER 90 HB3 SER 90 0.101 -0.383 13.457 743 HG SER 90 HG SER 90 -0.211 1.339 15.681 744 H ILE 91 H ILE 91 1.591 0.645 11.159 745 HA ILE 91 HA ILE 91 4.129 0.518 12.445 746 HB ILE 91 HB ILE 91 3.458 0.217 9.516 747 HG12 ILE 91 HG12 ILE 91 3.990 -1.990 11.497 748 HG13 ILE 91 HG13 ILE 91 2.368 -1.362 11.226 749 HG21 ILE 91 HG21 ILE 91 5.966 0.313 10.897 750 HG22 ILE 91 HG22 ILE 91 5.721 -1.291 10.209 751 HG23 ILE 91 HG23 ILE 91 5.648 0.134 9.172 752 HD11 ILE 91 HD11 ILE 91 2.149 -2.727 9.507 753 HD12 ILE 91 HD12 ILE 91 3.495 -1.924 8.698 754 HD13 ILE 91 HD13 ILE 91 3.796 -3.311 9.744 755 H SER 92 H SER 92 2.719 2.643 9.989 756 HA SER 92 HA SER 92 5.096 4.156 9.568 757 HB2 SER 92 HB2 SER 92 2.210 4.497 8.827 758 HB3 SER 92 HB3 SER 92 3.331 5.841 8.611 759 HG SER 92 HG SER 92 3.339 3.305 7.381 760 H ASN 93 H ASN 93 5.625 6.223 10.298 761 HA ASN 93 HA ASN 93 4.756 6.801 12.979 762 HB2 ASN 93 HB2 ASN 93 7.111 7.064 12.352 763 HB3 ASN 93 HB3 ASN 93 6.669 8.290 11.168 764 HD21 ASN 93 HD21 ASN 93 7.987 9.811 12.176 765 HD22 ASN 93 HD22 ASN 93 7.537 10.564 13.664 766 H ILE 94 H ILE 94 2.594 7.407 12.809 767 HA ILE 94 HA ILE 94 1.775 9.531 11.051 768 HB ILE 94 HB ILE 94 0.251 8.327 13.362 769 HG12 ILE 94 HG12 ILE 94 0.174 7.573 10.433 770 HG13 ILE 94 HG13 ILE 94 0.971 6.634 11.690 771 HG21 ILE 94 HG21 ILE 94 -1.449 9.656 12.813 772 HG22 ILE 94 HG22 ILE 94 -0.306 10.560 11.822 773 HG23 ILE 94 HG23 ILE 94 -1.281 9.281 11.098 774 HD11 ILE 94 HD11 ILE 94 -0.926 5.635 12.229 775 HD12 ILE 94 HD12 ILE 94 -1.760 7.179 12.403 776 HD13 ILE 94 HD13 ILE 94 -1.658 6.405 10.822 777 H ARG 95 H ARG 95 3.484 11.009 11.936 778 HA ARG 95 HA ARG 95 2.826 12.205 14.514 779 HB2 ARG 95 HB2 ARG 95 4.888 13.539 14.146 780 HB3 ARG 95 HB3 ARG 95 5.170 11.804 14.107 781 HG2 ARG 95 HG2 ARG 95 5.880 11.849 11.990 782 HG3 ARG 95 HG3 ARG 95 4.606 12.962 11.487 783 HD2 ARG 95 HD2 ARG 95 5.841 14.841 12.076 784 HD3 ARG 95 HD3 ARG 95 6.895 13.928 13.155 785 HE ARG 95 HE ARG 95 8.226 13.393 11.362 786 HH11 ARG 95 HH11 ARG 95 5.221 14.734 10.226 787 HH12 ARG 95 HH12 ARG 95 5.751 14.866 8.581 788 HH21 ARG 95 HH21 ARG 95 8.935 13.561 9.200 789 HH22 ARG 95 HH22 ARG 95 7.863 14.197 7.998 790 H TYR 96 H TYR 96 2.500 12.803 11.119 791 HA TYR 96 HA TYR 96 2.252 15.548 10.991 792 HB2 TYR 96 HB2 TYR 96 1.018 15.239 8.977 793 HB3 TYR 96 HB3 TYR 96 2.155 13.899 9.073 794 HD1 TYR 96 HD1 TYR 96 -1.381 14.868 9.331 795 HD2 TYR 96 HD2 TYR 96 1.386 11.634 9.359 796 HE1 TYR 96 HE1 TYR 96 -3.243 13.280 9.078 797 HE2 TYR 96 HE2 TYR 96 -0.469 10.039 9.105 798 HH TYR 96 HH TYR 96 -3.570 10.950 8.208 799 H GLY 97 H GLY 97 0.509 16.995 11.139 800 HA2 GLY 97 HA2 GLY 97 -1.491 16.191 13.114 801 HA3 GLY 97 HA3 GLY 97 -1.097 17.839 12.649 802 H TYR 98 H TYR 98 -1.584 18.251 10.204 803 HA TYR 98 HA TYR 98 -4.388 17.545 9.841 804 HB2 TYR 98 HB2 TYR 98 -2.638 19.544 8.395 805 HB3 TYR 98 HB3 TYR 98 -4.357 19.309 8.096 806 HD1 TYR 98 HD2 TYR 98 -6.016 20.079 9.698 807 HD2 TYR 98 HD1 TYR 98 -1.862 20.654 10.411 808 HE1 TYR 98 HE2 TYR 98 -6.551 21.704 11.466 809 HE2 TYR 98 HE1 TYR 98 -2.384 22.278 12.182 810 HH TYR 98 HH TYR 98 -5.715 22.904 13.176 Start of MODEL 12 1 H1 MET 1 H MET 1 0.081 -35.545 7.731 2 HA MET 1 HA MET 1 -0.617 -35.036 4.953 3 HB2 MET 1 HB2 MET 1 -1.963 -36.466 6.648 4 HB3 MET 1 HB3 MET 1 -2.539 -34.921 7.258 5 HG2 MET 1 HG2 MET 1 -2.737 -35.578 4.349 6 HG3 MET 1 HG3 MET 1 -3.931 -36.181 5.496 7 HE1 MET 1 HE1 MET 1 -6.007 -34.810 6.209 8 HE2 MET 1 HE2 MET 1 -4.818 -34.348 7.427 9 HE3 MET 1 HE3 MET 1 -5.833 -33.117 6.672 10 H GLY 2 H GLY 2 0.020 -33.024 4.358 11 HA2 GLY 2 HA2 GLY 2 -1.352 -30.785 4.596 12 HA3 GLY 2 HA3 GLY 2 -0.512 -30.768 6.140 13 H LYS 3 H LYS 3 -0.423 -29.514 3.149 14 HA LYS 3 HA LYS 3 2.503 -29.189 3.237 15 HB2 LYS 3 HB2 LYS 3 2.270 -28.883 0.682 16 HB3 LYS 3 HB3 LYS 3 2.232 -30.515 1.336 17 HG2 LYS 3 HG2 LYS 3 -0.349 -29.091 0.981 18 HG3 LYS 3 HG3 LYS 3 0.483 -29.695 -0.454 19 HD2 LYS 3 HD2 LYS 3 0.196 -31.884 0.135 20 HD3 LYS 3 HD3 LYS 3 0.201 -31.532 1.865 21 HE2 LYS 3 HE2 LYS 3 -2.008 -32.253 1.104 22 HE3 LYS 3 HE3 LYS 3 -2.039 -30.591 1.691 23 HZ1 LYS 3 HZ1 LYS 3 -3.291 -30.871 -0.373 24 HZ2 LYS 3 HZ2 LYS 3 -1.889 -31.385 -1.166 25 HZ3 LYS 3 HZ3 LYS 3 -1.994 -29.804 -0.575 26 H LEU 4 H LEU 4 2.484 -27.217 4.257 27 HA LEU 4 HA LEU 4 0.758 -25.083 3.422 28 HB2 LEU 4 HB2 LEU 4 1.843 -25.532 5.741 29 HB3 LEU 4 HB3 LEU 4 3.232 -24.690 5.058 30 HG LEU 4 HG LEU 4 1.546 -22.795 4.559 31 HD11 LEU 4 HD11 LEU 4 -0.464 -24.120 5.051 32 HD12 LEU 4 HD12 LEU 4 -0.348 -22.682 6.065 33 HD13 LEU 4 HD13 LEU 4 0.056 -24.264 6.730 34 HD21 LEU 4 HD21 LEU 4 3.388 -22.772 6.241 35 HD22 LEU 4 HD22 LEU 4 2.237 -23.375 7.435 36 HD23 LEU 4 HD23 LEU 4 1.988 -21.797 6.688 37 H LYS 5 H LYS 5 1.143 -23.484 2.007 38 HA LYS 5 HA LYS 5 3.867 -23.146 0.963 39 HB2 LYS 5 HB2 LYS 5 1.362 -23.684 -0.602 40 HB3 LYS 5 HB3 LYS 5 2.682 -22.771 -1.320 41 HG2 LYS 5 HG2 LYS 5 4.161 -24.753 -0.641 42 HG3 LYS 5 HG3 LYS 5 2.643 -25.630 -0.429 43 HD2 LYS 5 HD2 LYS 5 3.211 -24.138 -2.966 44 HD3 LYS 5 HD3 LYS 5 3.860 -25.760 -2.709 45 HE2 LYS 5 HE2 LYS 5 1.868 -26.219 -3.773 46 HE3 LYS 5 HE3 LYS 5 1.402 -26.343 -2.078 47 HZ1 LYS 5 HZ1 LYS 5 1.098 -23.680 -2.867 48 HZ2 LYS 5 HZ2 LYS 5 -0.107 -24.781 -2.422 49 HZ3 LYS 5 HZ3 LYS 5 0.355 -24.645 -4.043 50 H TRP 6 H TRP 6 2.121 -21.631 2.832 51 HA TRP 6 HA TRP 6 1.441 -19.220 1.371 52 HB2 TRP 6 HB2 TRP 6 1.092 -20.173 4.185 53 HB3 TRP 6 HB3 TRP 6 1.011 -18.444 3.855 54 HD1 TRP 6 HD1 TRP 6 -0.981 -21.627 3.550 55 HE1 TRP 6 HE1 TRP 6 -3.311 -21.094 2.593 56 HE3 TRP 6 HE3 TRP 6 -0.197 -16.770 2.165 57 HZ2 TRP 6 HZ2 TRP 6 -4.640 -18.904 1.408 58 HZ3 TRP 6 HZ3 TRP 6 -2.048 -15.526 1.126 59 HH2 TRP 6 HH2 TRP 6 -4.222 -16.572 0.756 60 H PHE 7 H PHE 7 3.045 -17.910 0.793 61 HA PHE 7 HA PHE 7 5.457 -17.721 2.403 62 HB2 PHE 7 HB2 PHE 7 4.654 -16.833 -0.335 63 HB3 PHE 7 HB3 PHE 7 5.994 -16.012 0.459 64 HD1 PHE 7 HD1 PHE 7 7.920 -17.452 1.315 65 HD2 PHE 7 HD2 PHE 7 4.986 -18.850 -1.435 66 HE1 PHE 7 HE1 PHE 7 9.439 -19.257 0.615 67 HE2 PHE 7 HE2 PHE 7 6.501 -20.657 -2.138 68 HZ PHE 7 HZ PHE 7 8.731 -20.863 -1.112 69 H SER 8 H SER 8 5.371 -16.428 4.120 70 HA SER 8 HA SER 8 4.948 -13.638 3.842 71 HB2 SER 8 HB2 SER 8 2.593 -14.227 3.831 72 HB3 SER 8 HB3 SER 8 2.796 -15.206 5.282 73 HG SER 8 HG SER 8 2.481 -13.459 6.384 74 H GLY 9 H GLY 9 5.885 -12.531 5.497 75 HA2 GLY 9 HA2 GLY 9 6.245 -12.574 8.001 76 HA3 GLY 9 HA3 GLY 9 6.917 -14.174 7.723 77 H GLY 10 H GLY 10 7.560 -10.847 7.874 78 HA2 GLY 10 HA2 GLY 10 10.371 -11.361 7.290 79 HA3 GLY 10 HA3 GLY 10 9.572 -10.163 6.283 80 H LYS 11 H LYS 11 11.717 -10.195 8.526 81 HA LYS 11 HA LYS 11 10.626 -8.550 10.592 82 HB2 LYS 11 HB2 LYS 11 12.861 -8.394 11.428 83 HB3 LYS 11 HB3 LYS 11 12.630 -10.038 10.847 84 HG2 LYS 11 HG2 LYS 11 13.691 -9.154 8.657 85 HG3 LYS 11 HG3 LYS 11 14.269 -7.832 9.674 86 HD2 LYS 11 HD2 LYS 11 14.676 -10.585 10.690 87 HD3 LYS 11 HD3 LYS 11 15.649 -10.094 9.303 88 HE2 LYS 11 HE2 LYS 11 16.893 -9.582 11.269 89 HE3 LYS 11 HE3 LYS 11 16.314 -8.059 10.599 90 HZ1 LYS 11 HZ1 LYS 11 14.785 -7.797 12.285 91 HZ2 LYS 11 HZ2 LYS 11 16.087 -8.489 13.112 92 HZ3 LYS 11 HZ3 LYS 11 14.758 -9.441 12.682 93 H GLU 12 H GLU 12 11.975 -7.975 7.462 94 HA GLU 12 HA GLU 12 12.775 -5.284 7.825 95 HB2 GLU 12 HB2 GLU 12 12.003 -6.870 5.380 96 HB3 GLU 12 HB3 GLU 12 12.511 -5.189 5.292 97 HG2 GLU 12 HG2 GLU 12 14.188 -7.342 6.547 98 HG3 GLU 12 HG3 GLU 12 14.286 -6.912 4.840 99 H ARG 13 H ARG 13 11.645 -3.444 7.877 100 HA ARG 13 HA ARG 13 8.804 -3.514 8.038 101 HB2 ARG 13 HB2 ARG 13 9.026 -1.016 8.192 102 HB3 ARG 13 HB3 ARG 13 9.961 -1.914 9.380 103 HG2 ARG 13 HG2 ARG 13 11.497 -1.407 6.984 104 HG3 ARG 13 HG3 ARG 13 10.884 0.085 7.702 105 HD2 ARG 13 HD2 ARG 13 11.742 -1.142 9.920 106 HD3 ARG 13 HD3 ARG 13 12.842 -1.870 8.751 107 HE ARG 13 HE ARG 13 13.948 0.120 8.637 108 HH11 ARG 13 HH11 ARG 13 10.758 0.691 9.911 109 HH12 ARG 13 HH12 ARG 13 11.048 2.366 10.243 110 HH21 ARG 13 HH21 ARG 13 14.341 2.325 9.070 111 HH22 ARG 13 HH22 ARG 13 13.086 3.295 9.763 112 H SER 14 H SER 14 11.105 -2.652 5.542 113 HA SER 14 HA SER 14 9.252 -1.367 3.811 114 HB2 SER 14 HB2 SER 14 11.561 -2.701 2.553 115 HB3 SER 14 HB3 SER 14 11.045 -1.017 2.467 116 HG SER 14 HG SER 14 13.080 -1.816 3.744 117 H ASN 15 H ASN 15 10.504 -4.673 4.024 118 HA ASN 15 HA ASN 15 9.023 -5.596 1.753 119 HB2 ASN 15 HB2 ASN 15 10.927 -6.876 2.117 120 HB3 ASN 15 HB3 ASN 15 10.706 -6.892 3.865 121 HD21 ASN 15 HD21 ASN 15 9.388 -8.414 4.796 122 HD22 ASN 15 HD22 ASN 15 8.757 -9.768 3.927 123 H GLN 16 H GLN 16 8.396 -5.230 5.130 124 HA GLN 16 HA GLN 16 6.393 -7.140 5.512 125 HB2 GLN 16 HB2 GLN 16 7.476 -5.788 7.309 126 HB3 GLN 16 HB3 GLN 16 6.539 -4.398 6.776 127 HG2 GLN 16 HG2 GLN 16 5.197 -5.110 8.451 128 HG3 GLN 16 HG3 GLN 16 4.528 -6.076 7.136 129 HE21 GLN 16 HE21 GLN 16 5.950 -6.117 10.193 130 HE22 GLN 16 HE22 GLN 16 6.171 -7.824 10.343 131 H ALA 17 H ALA 17 5.822 -3.646 5.082 132 HA ALA 17 HA ALA 17 3.102 -3.867 4.498 133 HB1 ALA 17 HB1 ALA 17 4.559 -1.652 3.202 134 HB2 ALA 17 HB2 ALA 17 3.139 -1.622 4.249 135 HB3 ALA 17 HB3 ALA 17 4.748 -1.796 4.950 136 H GLU 18 H GLU 18 5.905 -3.776 2.329 137 HA GLU 18 HA GLU 18 4.643 -3.622 -0.116 138 HB2 GLU 18 HB2 GLU 18 7.046 -3.538 0.044 139 HB3 GLU 18 HB3 GLU 18 7.109 -5.181 0.664 140 HG2 GLU 18 HG2 GLU 18 5.752 -5.258 -1.815 141 HG3 GLU 18 HG3 GLU 18 7.205 -4.284 -2.027 142 H ASN 19 H ASN 19 5.196 -6.482 1.893 143 HA ASN 19 HA ASN 19 4.201 -8.375 0.050 144 HB2 ASN 19 HB2 ASN 19 4.728 -8.356 2.993 145 HB3 ASN 19 HB3 ASN 19 3.779 -9.675 2.313 146 HD21 ASN 19 HD21 ASN 19 6.204 -10.105 3.539 147 HD22 ASN 19 HD22 ASN 19 7.357 -10.620 2.360 148 H ILE 20 H ILE 20 2.664 -6.506 2.622 149 HA ILE 20 HA ILE 20 0.134 -7.768 2.462 150 HB ILE 20 HB ILE 20 0.679 -4.945 3.378 151 HG12 ILE 20 HG12 ILE 20 0.747 -7.501 4.998 152 HG13 ILE 20 HG13 ILE 20 2.168 -6.594 4.492 153 HG21 ILE 20 HG21 ILE 20 -1.370 -4.978 4.414 154 HG22 ILE 20 HG22 ILE 20 -1.711 -5.938 2.975 155 HG23 ILE 20 HG23 ILE 20 -1.411 -6.739 4.516 156 HD11 ILE 20 HD11 ILE 20 0.112 -5.903 6.535 157 HD12 ILE 20 HD12 ILE 20 1.872 -5.874 6.652 158 HD13 ILE 20 HD13 ILE 20 1.028 -4.625 5.737 159 H ILE 21 H ILE 21 1.321 -4.680 1.139 160 HA ILE 21 HA ILE 21 -0.950 -3.821 -0.153 161 HB ILE 21 HB ILE 21 1.897 -3.568 -1.126 162 HG12 ILE 21 HG12 ILE 21 0.208 -1.622 0.457 163 HG13 ILE 21 HG13 ILE 21 1.420 -2.683 1.166 164 HG21 ILE 21 HG21 ILE 21 1.059 -2.616 -2.948 165 HG22 ILE 21 HG22 ILE 21 -0.584 -2.781 -2.330 166 HG23 ILE 21 HG23 ILE 21 0.372 -1.356 -1.924 167 HD11 ILE 21 HD11 ILE 21 1.749 -0.225 -0.435 168 HD12 ILE 21 HD12 ILE 21 2.683 -0.829 0.934 169 HD13 ILE 21 HD13 ILE 21 2.937 -1.506 -0.675 170 H THR 22 H THR 22 1.542 -6.025 -1.396 171 HA THR 22 HA THR 22 0.536 -6.381 -3.967 172 HB THR 22 HB THR 22 1.941 -8.460 -2.277 173 HG1 THR 22 HG1 THR 22 2.889 -6.321 -3.887 174 HG21 THR 22 HG21 THR 22 2.775 -9.038 -4.700 175 HG22 THR 22 HG22 THR 22 1.270 -8.253 -5.178 176 HG23 THR 22 HG23 THR 22 1.232 -9.658 -4.113 177 H ASP 23 H ASP 23 -0.498 -7.740 -0.925 178 HA ASP 23 HA ASP 23 -1.996 -9.914 -1.860 179 HB2 ASP 23 HB2 ASP 23 -1.389 -9.303 0.556 180 HB3 ASP 23 HB3 ASP 23 -2.789 -8.234 0.513 181 H LEU 24 H LEU 24 -3.239 -6.718 -0.863 182 HA LEU 24 HA LEU 24 -5.836 -6.988 -1.698 183 HB2 LEU 24 HB2 LEU 24 -4.071 -4.549 -1.776 184 HB3 LEU 24 HB3 LEU 24 -5.816 -4.507 -2.022 185 HG LEU 24 HG LEU 24 -4.348 -5.261 0.501 186 HD11 LEU 24 HD11 LEU 24 -6.244 -3.000 -0.115 187 HD12 LEU 24 HD12 LEU 24 -4.493 -2.858 0.028 188 HD13 LEU 24 HD13 LEU 24 -5.458 -3.315 1.432 189 HD21 LEU 24 HD21 LEU 24 -6.200 -6.720 0.415 190 HD22 LEU 24 HD22 LEU 24 -7.260 -5.464 -0.224 191 HD23 LEU 24 HD23 LEU 24 -6.694 -5.377 1.445 192 H LEU 25 H LEU 25 -3.068 -5.894 -3.634 193 HA LEU 25 HA LEU 25 -4.407 -5.299 -5.994 194 HB2 LEU 25 HB2 LEU 25 -1.694 -5.744 -5.156 195 HB3 LEU 25 HB3 LEU 25 -1.968 -6.469 -6.739 196 HG LEU 25 HG LEU 25 -1.056 -4.142 -6.786 197 HD11 LEU 25 HD11 LEU 25 -3.049 -3.347 -8.343 198 HD12 LEU 25 HD12 LEU 25 -3.537 -5.030 -8.145 199 HD13 LEU 25 HD13 LEU 25 -1.951 -4.646 -8.813 200 HD21 LEU 25 HD21 LEU 25 -3.007 -3.656 -4.885 201 HD22 LEU 25 HD22 LEU 25 -3.628 -2.880 -6.341 202 HD23 LEU 25 HD23 LEU 25 -2.034 -2.447 -5.722 203 H ASP 26 H ASP 26 -3.015 -8.390 -4.934 204 HA ASP 26 HA ASP 26 -3.614 -9.878 -7.224 205 HB2 ASP 26 HB2 ASP 26 -2.117 -10.775 -5.570 206 HB3 ASP 26 HB3 ASP 26 -3.371 -10.725 -4.333 207 H ASP 27 H ASP 27 -5.531 -9.278 -4.306 208 HA ASP 27 HA ASP 27 -7.685 -10.964 -4.922 209 HB2 ASP 27 HB2 ASP 27 -7.131 -9.693 -2.728 210 HB3 ASP 27 HB3 ASP 27 -8.041 -8.368 -3.449 211 H LEU 28 H LEU 28 -7.139 -7.536 -5.654 212 HA LEU 28 HA LEU 28 -9.635 -7.133 -6.939 213 HB2 LEU 28 HB2 LEU 28 -7.214 -5.623 -6.431 214 HB3 LEU 28 HB3 LEU 28 -7.864 -5.300 -8.037 215 HG LEU 28 HG LEU 28 -9.416 -5.014 -5.467 216 HD11 LEU 28 HD11 LEU 28 -7.593 -3.391 -5.598 217 HD12 LEU 28 HD12 LEU 28 -9.165 -2.615 -5.786 218 HD13 LEU 28 HD13 LEU 28 -8.147 -2.897 -7.197 219 HD21 LEU 28 HD21 LEU 28 -10.971 -5.396 -7.165 220 HD22 LEU 28 HD22 LEU 28 -10.036 -4.489 -8.354 221 HD23 LEU 28 HD23 LEU 28 -10.880 -3.637 -7.060 222 H LYS 29 H LYS 29 -6.493 -8.231 -8.026 223 HA LYS 29 HA LYS 29 -6.616 -7.905 -10.740 224 HB2 LYS 29 HB2 LYS 29 -4.713 -8.913 -9.519 225 HB3 LYS 29 HB3 LYS 29 -5.649 -10.386 -9.304 226 HG2 LYS 29 HG2 LYS 29 -5.663 -10.793 -11.666 227 HG3 LYS 29 HG3 LYS 29 -4.901 -9.232 -11.982 228 HD2 LYS 29 HD2 LYS 29 -2.887 -10.142 -11.739 229 HD3 LYS 29 HD3 LYS 29 -3.305 -10.681 -10.110 230 HE2 LYS 29 HE2 LYS 29 -3.642 -12.797 -10.773 231 HE3 LYS 29 HE3 LYS 29 -4.492 -12.301 -12.236 232 HZ1 LYS 29 HZ1 LYS 29 -1.820 -13.172 -11.947 233 HZ2 LYS 29 HZ2 LYS 29 -1.836 -11.609 -12.595 234 HZ3 LYS 29 HZ3 LYS 29 -2.685 -12.853 -13.365 235 H THR 30 H THR 30 -7.768 -10.814 -9.021 236 HA THR 30 HA THR 30 -9.363 -11.534 -11.359 237 HB THR 30 HB THR 30 -9.841 -13.633 -10.007 238 HG1 THR 30 HG1 THR 30 -9.209 -12.656 -7.963 239 HG21 THR 30 HG21 THR 30 -7.007 -12.923 -10.766 240 HG22 THR 30 HG22 THR 30 -8.223 -13.708 -11.775 241 HG23 THR 30 HG23 THR 30 -7.546 -14.559 -10.387 242 H ASP 31 H ASP 31 -10.616 -9.461 -10.675 243 HA ASP 31 HA ASP 31 -13.110 -10.336 -9.593 244 HB2 ASP 31 HB2 ASP 31 -11.476 -9.681 -7.605 245 HB3 ASP 31 HB3 ASP 31 -11.990 -8.051 -8.035 246 H LEU 32 H LEU 32 -14.638 -8.355 -9.370 247 HA LEU 32 HA LEU 32 -14.092 -6.576 -11.651 248 HB2 LEU 32 HB2 LEU 32 -16.746 -7.424 -10.500 249 HB3 LEU 32 HB3 LEU 32 -16.510 -6.380 -11.900 250 HG LEU 32 HG LEU 32 -15.563 -9.235 -11.816 251 HD11 LEU 32 HD11 LEU 32 -17.911 -8.720 -13.435 252 HD12 LEU 32 HD12 LEU 32 -18.211 -8.453 -11.718 253 HD13 LEU 32 HD13 LEU 32 -17.597 -10.010 -12.274 254 HD21 LEU 32 HD21 LEU 32 -16.311 -7.896 -14.327 255 HD22 LEU 32 HD22 LEU 32 -14.949 -8.956 -13.965 256 HD23 LEU 32 HD23 LEU 32 -14.883 -7.251 -13.518 257 H ASP 33 H ASP 33 -13.424 -6.268 -8.720 258 HA ASP 33 HA ASP 33 -15.100 -4.105 -7.814 259 HB2 ASP 33 HB2 ASP 33 -13.123 -5.835 -6.665 260 HB3 ASP 33 HB3 ASP 33 -12.681 -4.162 -6.338 261 H ASN 34 H ASN 34 -13.355 -2.298 -6.738 262 HA ASN 34 HA ASN 34 -12.912 -0.487 -8.755 263 HB2 ASN 34 HB2 ASN 34 -11.155 -0.617 -6.308 264 HB3 ASN 34 HB3 ASN 34 -11.680 0.811 -7.196 265 HD21 ASN 34 HD21 ASN 34 -12.292 -1.235 -4.601 266 HD22 ASN 34 HD22 ASN 34 -13.843 -0.619 -4.154 267 H GLU 35 H GLU 35 -11.837 -1.058 -10.565 268 HA GLU 35 HA GLU 35 -9.288 -2.446 -10.380 269 HB2 GLU 35 HB2 GLU 35 -11.214 -2.797 -12.141 270 HB3 GLU 35 HB3 GLU 35 -10.428 -1.454 -12.960 271 HG2 GLU 35 HG2 GLU 35 -8.398 -2.668 -13.179 272 HG3 GLU 35 HG3 GLU 35 -8.982 -3.952 -12.120 273 H SER 36 H SER 36 -10.191 0.651 -10.029 274 HA SER 36 HA SER 36 -7.851 1.741 -11.440 275 HB2 SER 36 HB2 SER 36 -8.973 3.960 -11.113 276 HB3 SER 36 HB3 SER 36 -9.893 2.837 -12.115 277 HG SER 36 HG SER 36 -11.318 3.682 -10.662 278 H LEU 37 H LEU 37 -9.502 1.604 -8.332 279 HA LEU 37 HA LEU 37 -7.891 3.357 -6.883 280 HB2 LEU 37 HB2 LEU 37 -10.061 2.019 -6.260 281 HB3 LEU 37 HB3 LEU 37 -8.905 0.851 -5.621 282 HG LEU 37 HG LEU 37 -9.688 2.259 -3.836 283 HD11 LEU 37 HD11 LEU 37 -7.000 3.421 -4.304 284 HD12 LEU 37 HD12 LEU 37 -7.137 1.664 -4.246 285 HD13 LEU 37 HD13 LEU 37 -7.665 2.634 -2.871 286 HD21 LEU 37 HD21 LEU 37 -9.976 4.210 -5.679 287 HD22 LEU 37 HD22 LEU 37 -8.492 4.737 -4.886 288 HD23 LEU 37 HD23 LEU 37 -9.960 4.493 -3.938 289 H LYS 38 H LYS 38 -7.474 -0.085 -7.579 290 HA LYS 38 HA LYS 38 -5.339 -0.695 -5.951 291 HB2 LYS 38 HB2 LYS 38 -4.654 -2.228 -7.948 292 HB3 LYS 38 HB3 LYS 38 -6.174 -2.516 -7.112 293 HG2 LYS 38 HG2 LYS 38 -7.431 -1.546 -8.857 294 HG3 LYS 38 HG3 LYS 38 -5.991 -0.858 -9.610 295 HD2 LYS 38 HD2 LYS 38 -6.374 -3.823 -9.281 296 HD3 LYS 38 HD3 LYS 38 -6.976 -2.944 -10.689 297 HE2 LYS 38 HE2 LYS 38 -4.128 -2.616 -9.858 298 HE3 LYS 38 HE3 LYS 38 -4.612 -4.070 -10.730 299 HZ1 LYS 38 HZ1 LYS 38 -5.748 -2.113 -12.189 300 HZ2 LYS 38 HZ2 LYS 38 -4.256 -2.831 -12.535 301 HZ3 LYS 38 HZ3 LYS 38 -4.315 -1.368 -11.686 302 H LYS 39 H LYS 39 -5.402 1.282 -8.805 303 HA LYS 39 HA LYS 39 -2.766 1.255 -9.623 304 HB2 LYS 39 HB2 LYS 39 -3.235 3.181 -10.798 305 HB3 LYS 39 HB3 LYS 39 -4.859 2.578 -10.499 306 HG2 LYS 39 HG2 LYS 39 -5.139 4.111 -8.659 307 HG3 LYS 39 HG3 LYS 39 -3.469 4.662 -8.829 308 HD2 LYS 39 HD2 LYS 39 -5.001 6.252 -9.851 309 HD3 LYS 39 HD3 LYS 39 -3.987 5.495 -11.081 310 HE2 LYS 39 HE2 LYS 39 -5.832 3.927 -11.580 311 HE3 LYS 39 HE3 LYS 39 -6.839 4.776 -10.409 312 HZ1 LYS 39 HZ1 LYS 39 -6.825 6.712 -11.729 313 HZ2 LYS 39 HZ2 LYS 39 -7.146 5.437 -12.793 314 HZ3 LYS 39 HZ3 LYS 39 -5.601 6.125 -12.738 315 H VAL 40 H VAL 40 -4.208 2.862 -6.858 316 HA VAL 40 HA VAL 40 -1.985 4.495 -6.203 317 HB VAL 40 HB VAL 40 -4.391 3.556 -4.683 318 HG11 VAL 40 HG11 VAL 40 -3.582 5.043 -2.804 319 HG12 VAL 40 HG12 VAL 40 -2.754 3.495 -2.976 320 HG13 VAL 40 HG13 VAL 40 -1.988 4.974 -3.557 321 HG21 VAL 40 HG21 VAL 40 -4.027 5.619 -6.385 322 HG22 VAL 40 HG22 VAL 40 -5.207 5.623 -5.074 323 HG23 VAL 40 HG23 VAL 40 -3.638 6.398 -4.852 324 H LEU 41 H LEU 41 -3.116 1.393 -4.862 325 HA LEU 41 HA LEU 41 -1.130 0.968 -2.996 326 HB2 LEU 41 HB2 LEU 41 -2.749 -0.898 -4.688 327 HB3 LEU 41 HB3 LEU 41 -1.524 -1.522 -3.584 328 HG LEU 41 HG LEU 41 -3.688 -1.658 -2.543 329 HD11 LEU 41 HD11 LEU 41 -2.218 0.659 -1.308 330 HD12 LEU 41 HD12 LEU 41 -1.687 -1.018 -1.186 331 HD13 LEU 41 HD13 LEU 41 -3.235 -0.531 -0.496 332 HD21 LEU 41 HD21 LEU 41 -3.966 1.324 -2.690 333 HD22 LEU 41 HD22 LEU 41 -5.189 0.112 -2.302 334 HD23 LEU 41 HD23 LEU 41 -4.603 0.277 -3.959 335 H GLU 42 H GLU 42 -1.148 -0.215 -6.364 336 HA GLU 42 HA GLU 42 1.391 -1.340 -6.375 337 HB2 GLU 42 HB2 GLU 42 -0.296 -0.130 -8.550 338 HB3 GLU 42 HB3 GLU 42 1.299 -0.787 -8.894 339 HG2 GLU 42 HG2 GLU 42 0.253 -2.852 -7.551 340 HG3 GLU 42 HG3 GLU 42 -1.221 -2.166 -8.231 341 H ASN 43 H ASN 43 0.425 1.947 -7.341 342 HA ASN 43 HA ASN 43 2.881 2.940 -8.104 343 HB2 ASN 43 HB2 ASN 43 0.435 4.181 -6.912 344 HB3 ASN 43 HB3 ASN 43 1.888 5.163 -7.069 345 HD21 ASN 43 HD21 ASN 43 0.095 6.237 -8.441 346 HD22 ASN 43 HD22 ASN 43 0.123 5.838 -10.122 347 H TYR 44 H TYR 44 1.460 3.686 -4.923 348 HA TYR 44 HA TYR 44 3.762 4.600 -3.711 349 HB2 TYR 44 HB2 TYR 44 1.288 3.294 -2.612 350 HB3 TYR 44 HB3 TYR 44 2.602 3.772 -1.543 351 HD1 TYR 44 HD1 TYR 44 -0.012 4.987 -3.825 352 HD2 TYR 44 HD2 TYR 44 3.038 6.093 -1.072 353 HE1 TYR 44 HE1 TYR 44 -0.904 7.278 -3.766 354 HE2 TYR 44 HE2 TYR 44 2.153 8.387 -1.005 355 HH TYR 44 HH TYR 44 0.747 9.866 -2.654 356 H LEU 45 H LEU 45 2.590 1.288 -4.011 357 HA LEU 45 HA LEU 45 4.363 0.017 -2.281 358 HB2 LEU 45 HB2 LEU 45 2.543 -1.215 -3.158 359 HB3 LEU 45 HB3 LEU 45 3.033 -0.893 -4.820 360 HG LEU 45 HG LEU 45 4.879 -2.412 -4.635 361 HD11 LEU 45 HD11 LEU 45 4.559 -3.698 -2.183 362 HD12 LEU 45 HD12 LEU 45 4.511 -1.975 -1.812 363 HD13 LEU 45 HD13 LEU 45 5.892 -2.653 -2.676 364 HD21 LEU 45 HD21 LEU 45 2.708 -3.943 -3.285 365 HD22 LEU 45 HD22 LEU 45 3.698 -4.378 -4.679 366 HD23 LEU 45 HD23 LEU 45 2.389 -3.208 -4.855 367 H GLU 46 H GLU 46 4.745 0.888 -5.692 368 HA GLU 46 HA GLU 46 7.212 -0.358 -6.138 369 HB2 GLU 46 HB2 GLU 46 5.682 1.838 -7.423 370 HB3 GLU 46 HB3 GLU 46 7.395 1.737 -7.802 371 HG2 GLU 46 HG2 GLU 46 7.181 -0.253 -8.904 372 HG3 GLU 46 HG3 GLU 46 5.755 -0.734 -7.984 373 H GLU 47 H GLU 47 6.404 2.741 -4.702 374 HA GLU 47 HA GLU 47 8.892 3.974 -4.736 375 HB2 GLU 47 HB2 GLU 47 6.846 4.120 -2.515 376 HB3 GLU 47 HB3 GLU 47 8.109 5.296 -2.847 377 HG2 GLU 47 HG2 GLU 47 6.084 4.646 -4.941 378 HG3 GLU 47 HG3 GLU 47 5.684 5.753 -3.629 379 H LEU 48 H LEU 48 7.606 1.536 -2.547 380 HA LEU 48 HA LEU 48 9.554 1.627 -0.557 381 HB2 LEU 48 HB2 LEU 48 7.897 -0.643 -1.626 382 HB3 LEU 48 HB3 LEU 48 8.976 -0.822 -0.244 383 HG LEU 48 HG LEU 48 7.122 1.410 0.043 384 HD11 LEU 48 HD11 LEU 48 5.114 0.403 -0.117 385 HD12 LEU 48 HD12 LEU 48 5.738 -1.167 0.387 386 HD13 LEU 48 HD13 LEU 48 5.955 -0.625 -1.277 387 HD21 LEU 48 HD21 LEU 48 8.639 0.196 1.747 388 HD22 LEU 48 HD22 LEU 48 7.347 -1.003 1.802 389 HD23 LEU 48 HD23 LEU 48 7.014 0.674 2.239 390 H LYS 49 H LYS 49 9.555 0.019 -3.688 391 HA LYS 49 HA LYS 49 11.945 -1.461 -3.275 392 HB2 LYS 49 HB2 LYS 49 10.496 -0.610 -5.783 393 HB3 LYS 49 HB3 LYS 49 11.930 -1.628 -5.799 394 HG2 LYS 49 HG2 LYS 49 10.240 -3.181 -5.903 395 HG3 LYS 49 HG3 LYS 49 10.569 -3.124 -4.170 396 HD2 LYS 49 HD2 LYS 49 8.509 -2.396 -3.723 397 HD3 LYS 49 HD3 LYS 49 8.619 -1.132 -4.950 398 HE2 LYS 49 HE2 LYS 49 6.783 -2.781 -5.326 399 HE3 LYS 49 HE3 LYS 49 7.919 -2.637 -6.666 400 HZ1 LYS 49 HZ1 LYS 49 8.867 -4.682 -6.184 401 HZ2 LYS 49 HZ2 LYS 49 7.222 -4.963 -5.911 402 HZ3 LYS 49 HZ3 LYS 49 8.267 -4.719 -4.603 403 H GLN 50 H GLN 50 11.263 1.802 -4.244 404 HA GLN 50 HA GLN 50 13.865 2.317 -5.345 405 HB2 GLN 50 HB2 GLN 50 11.817 4.330 -4.413 406 HB3 GLN 50 HB3 GLN 50 13.145 4.607 -5.531 407 HG2 GLN 50 HG2 GLN 50 10.774 2.821 -6.030 408 HG3 GLN 50 HG3 GLN 50 11.005 4.442 -6.683 409 HE21 GLN 50 HE21 GLN 50 10.665 1.902 -8.071 410 HE22 GLN 50 HE22 GLN 50 12.059 1.712 -9.072 411 H LYS 51 H LYS 51 15.313 3.989 -4.448 412 HA LYS 51 HA LYS 51 15.525 3.678 -1.535 413 HB2 LYS 51 HB2 LYS 51 17.915 4.417 -1.922 414 HB3 LYS 51 HB3 LYS 51 17.478 2.855 -2.602 415 HG2 LYS 51 HG2 LYS 51 17.421 3.704 -4.793 416 HG3 LYS 51 HG3 LYS 51 17.423 5.377 -4.229 417 HD2 LYS 51 HD2 LYS 51 19.706 3.497 -3.685 418 HD3 LYS 51 HD3 LYS 51 19.613 4.463 -5.159 419 HE2 LYS 51 HE2 LYS 51 19.572 5.551 -2.345 420 HE3 LYS 51 HE3 LYS 51 20.973 5.541 -3.415 421 HZ1 LYS 51 HZ1 LYS 51 20.191 7.611 -3.836 422 HZ2 LYS 51 HZ2 LYS 51 18.582 7.215 -3.498 423 HZ3 LYS 51 HZ3 LYS 51 19.267 6.774 -4.980 424 H SER 52 H SER 52 14.108 5.759 -3.432 425 HA SER 52 HA SER 52 15.312 8.232 -2.525 426 HB2 SER 52 HB2 SER 52 14.437 8.303 -4.741 427 HB3 SER 52 HB3 SER 52 12.899 7.608 -4.231 428 HG SER 52 HG SER 52 13.596 10.175 -4.353 429 H ALA 53 H ALA 53 11.895 7.249 -2.463 430 HA ALA 53 HA ALA 53 11.380 8.807 -0.123 431 HB1 ALA 53 HB1 ALA 53 9.657 6.771 -1.530 432 HB2 ALA 53 HB2 ALA 53 9.112 7.875 -0.267 433 HB3 ALA 53 HB3 ALA 53 9.666 8.511 -1.816 434 H SER 54 H SER 54 11.121 8.179 1.970 435 HA SER 54 HA SER 54 12.366 5.726 2.769 436 HB2 SER 54 HB2 SER 54 10.821 7.356 4.729 437 HB3 SER 54 HB3 SER 54 12.412 6.614 4.889 438 HG SER 54 HG SER 54 13.321 8.331 4.010 439 H VAL 55 H VAL 55 11.396 4.094 4.109 440 HA VAL 55 HA VAL 55 9.094 2.959 3.099 441 HB VAL 55 HB VAL 55 10.641 2.574 5.609 442 HG11 VAL 55 HG11 VAL 55 8.557 2.357 6.623 443 HG12 VAL 55 HG12 VAL 55 7.825 1.638 5.187 444 HG13 VAL 55 HG13 VAL 55 8.959 0.703 6.163 445 HG21 VAL 55 HG21 VAL 55 9.678 0.572 3.578 446 HG22 VAL 55 HG22 VAL 55 11.161 1.506 3.386 447 HG23 VAL 55 HG23 VAL 55 10.991 0.392 4.742 448 HA PRO 56 HA PRO 56 6.576 4.765 6.811 449 HB2 PRO 56 HB2 PRO 56 7.772 6.693 8.301 450 HB3 PRO 56 HB3 PRO 56 7.904 4.970 8.674 451 HG2 PRO 56 HG2 PRO 56 9.844 6.756 7.254 452 HG3 PRO 56 HG3 PRO 56 10.156 5.518 8.486 453 HD2 PRO 56 HD2 PRO 56 10.547 5.075 5.844 454 HD3 PRO 56 HD3 PRO 56 10.040 3.793 6.963 455 H LEU 57 H LEU 57 8.559 6.606 4.702 456 HA LEU 57 HA LEU 57 6.992 9.025 4.864 457 HB2 LEU 57 HB2 LEU 57 9.433 8.132 3.511 458 HB3 LEU 57 HB3 LEU 57 8.447 9.246 2.565 459 HG LEU 57 HG LEU 57 10.252 10.348 3.863 460 HD11 LEU 57 HD11 LEU 57 7.699 11.301 5.049 461 HD12 LEU 57 HD12 LEU 57 7.858 11.292 3.294 462 HD13 LEU 57 HD13 LEU 57 8.998 12.210 4.278 463 HD21 LEU 57 HD21 LEU 57 10.412 10.281 6.138 464 HD22 LEU 57 HD22 LEU 57 9.769 8.666 5.841 465 HD23 LEU 57 HD23 LEU 57 8.692 9.962 6.363 466 H ILE 58 H ILE 58 7.162 6.176 2.843 467 HA ILE 58 HA ILE 58 5.389 7.243 0.832 468 HB ILE 58 HB ILE 58 6.335 4.407 1.265 469 HG12 ILE 58 HG12 ILE 58 7.309 6.072 -0.991 470 HG13 ILE 58 HG13 ILE 58 7.914 6.485 0.609 471 HG21 ILE 58 HG21 ILE 58 5.577 3.982 -0.994 472 HG22 ILE 58 HG22 ILE 58 4.237 4.567 -0.010 473 HG23 ILE 58 HG23 ILE 58 5.031 5.651 -1.151 474 HD11 ILE 58 HD11 ILE 58 9.132 4.744 -0.963 475 HD12 ILE 58 HD12 ILE 58 9.121 4.574 0.793 476 HD13 ILE 58 HD13 ILE 58 7.997 3.637 -0.191 477 H LEU 59 H LEU 59 5.171 4.868 3.458 478 HA LEU 59 HA LEU 59 2.543 4.035 3.027 479 HB2 LEU 59 HB2 LEU 59 4.020 4.308 5.640 480 HB3 LEU 59 HB3 LEU 59 2.549 3.372 5.391 481 HG LEU 59 HG LEU 59 5.175 2.793 4.026 482 HD11 LEU 59 HD11 LEU 59 4.055 1.917 6.639 483 HD12 LEU 59 HD12 LEU 59 5.723 2.259 6.181 484 HD13 LEU 59 HD13 LEU 59 4.960 0.754 5.670 485 HD21 LEU 59 HD21 LEU 59 2.869 0.915 4.374 486 HD22 LEU 59 HD22 LEU 59 4.188 0.859 3.205 487 HD23 LEU 59 HD23 LEU 59 2.907 2.060 3.033 488 H SER 60 H SER 60 3.810 6.779 4.857 489 HA SER 60 HA SER 60 1.450 7.614 6.082 490 HB2 SER 60 HB2 SER 60 3.388 8.688 6.840 491 HB3 SER 60 HB3 SER 60 3.936 9.060 5.206 492 HG SER 60 HG SER 60 1.524 10.161 6.109 493 H ARG 61 H ARG 61 2.877 8.873 3.062 494 HA ARG 61 HA ARG 61 0.659 10.454 2.358 495 HB2 ARG 61 HB2 ARG 61 3.061 9.415 0.925 496 HB3 ARG 61 HB3 ARG 61 1.745 10.080 -0.033 497 HG2 ARG 61 HG2 ARG 61 3.475 11.741 0.450 498 HG3 ARG 61 HG3 ARG 61 1.914 12.190 1.140 499 HD2 ARG 61 HD2 ARG 61 2.655 11.313 3.319 500 HD3 ARG 61 HD3 ARG 61 4.226 10.935 2.615 501 HE ARG 61 HE ARG 61 3.326 13.482 3.516 502 HH11 ARG 61 HH11 ARG 61 5.334 11.907 1.148 503 HH12 ARG 61 HH12 ARG 61 6.391 13.266 0.949 504 HH21 ARG 61 HH21 ARG 61 4.711 15.277 3.264 505 HH22 ARG 61 HH22 ARG 61 6.036 15.182 2.154 506 H MET 62 H MET 62 1.528 7.121 1.591 507 HA MET 62 HA MET 62 -0.322 6.556 -0.385 508 HB2 MET 62 HB2 MET 62 1.488 5.034 0.464 509 HB3 MET 62 HB3 MET 62 0.458 4.670 1.842 510 HG2 MET 62 HG2 MET 62 -1.232 3.751 0.363 511 HG3 MET 62 HG3 MET 62 -0.246 4.160 -1.039 512 HE1 MET 62 HE1 MET 62 0.457 2.377 2.503 513 HE2 MET 62 HE2 MET 62 -1.021 1.751 1.772 514 HE3 MET 62 HE3 MET 62 0.400 0.716 1.914 515 H ASN 63 H ASN 63 -0.754 5.905 3.100 516 HA ASN 63 HA ASN 63 -3.414 5.158 3.022 517 HB2 ASN 63 HB2 ASN 63 -1.737 5.154 4.995 518 HB3 ASN 63 HB3 ASN 63 -2.316 6.789 5.297 519 HD21 ASN 63 HD21 ASN 63 -2.617 4.885 7.199 520 HD22 ASN 63 HD22 ASN 63 -4.283 4.456 7.356 521 H LEU 64 H LEU 64 -2.075 8.415 3.531 522 HA LEU 64 HA LEU 64 -4.545 9.739 3.764 523 HB2 LEU 64 HB2 LEU 64 -1.748 10.558 3.166 524 HB3 LEU 64 HB3 LEU 64 -3.041 11.716 2.860 525 HG LEU 64 HG LEU 64 -1.911 11.988 5.061 526 HD11 LEU 64 HD11 LEU 64 -4.082 12.919 4.816 527 HD12 LEU 64 HD12 LEU 64 -4.045 12.097 6.376 528 HD13 LEU 64 HD13 LEU 64 -4.850 11.342 4.999 529 HD21 LEU 64 HD21 LEU 64 -2.575 10.363 6.844 530 HD22 LEU 64 HD22 LEU 64 -1.438 9.727 5.654 531 HD23 LEU 64 HD23 LEU 64 -3.145 9.287 5.567 532 H ASP 65 H ASP 65 -2.931 8.425 1.054 533 HA ASP 65 HA ASP 65 -4.310 10.106 -0.875 534 HB2 ASP 65 HB2 ASP 65 -1.915 9.138 -1.106 535 HB3 ASP 65 HB3 ASP 65 -2.729 7.643 -1.561 536 H ILE 66 H ILE 66 -4.309 6.716 0.168 537 HA ILE 66 HA ILE 66 -6.276 5.797 -1.613 538 HB ILE 66 HB ILE 66 -5.620 4.776 1.153 539 HG12 ILE 66 HG12 ILE 66 -4.639 3.882 -1.568 540 HG13 ILE 66 HG13 ILE 66 -3.697 4.800 -0.397 541 HG21 ILE 66 HG21 ILE 66 -7.688 4.047 -0.671 542 HG22 ILE 66 HG22 ILE 66 -6.533 2.720 -0.552 543 HG23 ILE 66 HG23 ILE 66 -7.303 3.351 0.904 544 HD11 ILE 66 HD11 ILE 66 -2.940 2.687 0.002 545 HD12 ILE 66 HD12 ILE 66 -4.263 2.773 1.165 546 HD13 ILE 66 HD13 ILE 66 -4.492 1.939 -0.371 547 H SER 67 H SER 67 -6.573 6.859 1.774 548 HA SER 67 HA SER 67 -9.309 6.535 2.069 549 HB2 SER 67 HB2 SER 67 -8.261 7.049 4.065 550 HB3 SER 67 HB3 SER 67 -7.283 8.326 3.344 551 HG SER 67 HG SER 67 -9.641 8.522 4.603 552 H LYS 68 H LYS 68 -7.505 9.191 0.626 553 HA LYS 68 HA LYS 68 -9.683 10.975 0.345 554 HB2 LYS 68 HB2 LYS 68 -6.904 10.815 -0.559 555 HB3 LYS 68 HB3 LYS 68 -7.964 11.598 -1.724 556 HG2 LYS 68 HG2 LYS 68 -8.688 13.179 -0.019 557 HG3 LYS 68 HG3 LYS 68 -7.652 12.384 1.167 558 HD2 LYS 68 HD2 LYS 68 -6.292 14.113 0.514 559 HD3 LYS 68 HD3 LYS 68 -5.786 12.860 -0.621 560 HE2 LYS 68 HE2 LYS 68 -7.470 13.803 -2.237 561 HE3 LYS 68 HE3 LYS 68 -7.675 15.152 -1.122 562 HZ1 LYS 68 HZ1 LYS 68 -4.938 14.794 -1.563 563 HZ2 LYS 68 HZ2 LYS 68 -5.905 16.106 -2.012 564 HZ3 LYS 68 HZ3 LYS 68 -5.700 14.804 -3.073 565 H ALA 69 H ALA 69 -8.276 8.544 -1.813 566 HA ALA 69 HA ALA 69 -9.786 9.079 -4.094 567 HB1 ALA 69 HB1 ALA 69 -7.798 7.459 -3.732 568 HB2 ALA 69 HB2 ALA 69 -9.050 6.277 -3.347 569 HB3 ALA 69 HB3 ALA 69 -9.030 7.056 -4.929 570 H ILE 70 H ILE 70 -10.727 7.708 -1.093 571 HA ILE 70 HA ILE 70 -12.956 6.191 -2.001 572 HB ILE 70 HB ILE 70 -12.713 7.425 0.734 573 HG12 ILE 70 HG12 ILE 70 -11.338 4.969 -0.367 574 HG13 ILE 70 HG13 ILE 70 -10.576 6.399 0.322 575 HG21 ILE 70 HG21 ILE 70 -13.901 4.803 -0.161 576 HG22 ILE 70 HG22 ILE 70 -13.986 5.514 1.450 577 HG23 ILE 70 HG23 ILE 70 -14.822 6.284 0.103 578 HD11 ILE 70 HD11 ILE 70 -11.642 5.823 2.497 579 HD12 ILE 70 HD12 ILE 70 -12.182 4.310 1.766 580 HD13 ILE 70 HD13 ILE 70 -10.459 4.649 1.924 581 H ARG 71 H ARG 71 -12.997 9.176 -0.048 582 HA ARG 71 HA ARG 71 -15.668 9.809 -0.577 583 HB2 ARG 71 HB2 ARG 71 -14.261 10.766 1.261 584 HB3 ARG 71 HB3 ARG 71 -13.457 11.767 0.060 585 HG2 ARG 71 HG2 ARG 71 -15.705 12.726 -0.506 586 HG3 ARG 71 HG3 ARG 71 -16.341 11.865 0.897 587 HD2 ARG 71 HD2 ARG 71 -15.877 13.905 1.833 588 HD3 ARG 71 HD3 ARG 71 -14.358 13.060 2.132 589 HE ARG 71 HE ARG 71 -14.027 14.290 -0.295 590 HH11 ARG 71 HH11 ARG 71 -14.809 15.316 2.938 591 HH12 ARG 71 HH12 ARG 71 -14.077 16.876 2.760 592 HH21 ARG 71 HH21 ARG 71 -13.060 16.341 -0.543 593 HH22 ARG 71 HH22 ARG 71 -13.083 17.459 0.780 594 H ASN 72 H ASN 72 -12.708 11.134 -2.056 595 HA ASN 72 HA ASN 72 -13.844 12.894 -3.844 596 HB2 ASN 72 HB2 ASN 72 -11.335 11.266 -3.876 597 HB3 ASN 72 HB3 ASN 72 -11.788 12.156 -5.327 598 HD21 ASN 72 HD21 ASN 72 -11.250 12.528 -1.858 599 HD22 ASN 72 HD22 ASN 72 -10.678 14.157 -1.942 600 H ASP 73 H ASP 73 -12.556 9.799 -5.010 601 HA ASP 73 HA ASP 73 -13.990 9.707 -7.366 602 HB2 ASP 73 HB2 ASP 73 -13.273 7.241 -5.782 603 HB3 ASP 73 HB3 ASP 73 -13.378 7.413 -7.532 604 H GLY 74 H GLY 74 -14.788 7.901 -4.387 605 HA2 GLY 74 HA2 GLY 74 -17.159 8.183 -3.626 606 HA3 GLY 74 HA3 GLY 74 -17.598 7.887 -5.302 607 H VAL 75 H VAL 75 -14.947 6.032 -4.352 608 HA VAL 75 HA VAL 75 -16.578 3.629 -4.363 609 HB VAL 75 HB VAL 75 -14.499 2.399 -4.494 610 HG11 VAL 75 HG11 VAL 75 -15.494 3.841 -6.467 611 HG12 VAL 75 HG12 VAL 75 -13.949 4.680 -6.321 612 HG13 VAL 75 HG13 VAL 75 -13.985 2.948 -6.653 613 HG21 VAL 75 HG21 VAL 75 -12.334 3.692 -4.595 614 HG22 VAL 75 HG22 VAL 75 -13.219 5.064 -3.931 615 HG23 VAL 75 HG23 VAL 75 -13.079 3.571 -3.001 616 H THR 76 H THR 76 -15.366 1.856 -2.814 617 HA THR 76 HA THR 76 -14.964 2.946 -0.147 618 HB THR 76 HB THR 76 -17.071 0.824 -0.505 619 HG1 THR 76 HG1 THR 76 -17.568 3.604 -0.143 620 HG21 THR 76 HG21 THR 76 -15.824 2.210 1.725 621 HG22 THR 76 HG22 THR 76 -16.817 0.752 1.716 622 HG23 THR 76 HG23 THR 76 -17.582 2.341 1.756 623 H LEU 77 H LEU 77 -13.622 1.720 1.068 624 HA LEU 77 HA LEU 77 -12.284 -0.477 -0.187 625 HB2 LEU 77 HB2 LEU 77 -11.997 0.301 2.695 626 HB3 LEU 77 HB3 LEU 77 -10.800 -0.434 1.630 627 HG LEU 77 HG LEU 77 -11.811 2.388 1.313 628 HD11 LEU 77 HD11 LEU 77 -9.321 2.739 2.172 629 HD12 LEU 77 HD12 LEU 77 -9.688 1.246 3.035 630 HD13 LEU 77 HD13 LEU 77 -10.699 2.671 3.271 631 HD21 LEU 77 HD21 LEU 77 -9.930 2.664 -0.151 632 HD22 LEU 77 HD22 LEU 77 -10.859 1.265 -0.689 633 HD23 LEU 77 HD23 LEU 77 -9.355 1.035 0.205 634 H SER 78 H SER 78 -12.285 -2.634 0.380 635 HA SER 78 HA SER 78 -14.731 -3.634 1.481 636 HB2 SER 78 HB2 SER 78 -13.453 -4.732 -0.387 637 HB3 SER 78 HB3 SER 78 -12.237 -5.205 0.799 638 HG SER 78 HG SER 78 -14.795 -6.188 0.381 639 H ASP 79 H ASP 79 -14.645 -5.445 3.145 640 HA ASP 79 HA ASP 79 -13.906 -4.465 5.614 641 HB2 ASP 79 HB2 ASP 79 -14.297 -7.326 4.721 642 HB3 ASP 79 HB3 ASP 79 -14.113 -6.849 6.406 643 H TYR 80 H TYR 80 -12.240 -7.121 3.907 644 HA TYR 80 HA TYR 80 -10.041 -7.279 5.602 645 HB2 TYR 80 HB2 TYR 80 -8.894 -8.407 3.726 646 HB3 TYR 80 HB3 TYR 80 -10.533 -9.006 3.959 647 HD1 TYR 80 HD2 TYR 80 -12.283 -8.507 2.328 648 HD2 TYR 80 HD1 TYR 80 -8.287 -7.172 1.739 649 HE1 TYR 80 HE2 TYR 80 -12.791 -8.050 -0.035 650 HE2 TYR 80 HE1 TYR 80 -8.783 -6.711 -0.625 651 HH TYR 80 HH TYR 80 -10.785 -6.216 -2.023 652 H GLN 81 H GLN 81 -10.658 -5.161 2.870 653 HA GLN 81 HA GLN 81 -8.070 -4.157 2.501 654 HB2 GLN 81 HB2 GLN 81 -10.806 -3.321 1.783 655 HB3 GLN 81 HB3 GLN 81 -9.622 -2.023 1.854 656 HG2 GLN 81 HG2 GLN 81 -8.223 -3.786 0.421 657 HG3 GLN 81 HG3 GLN 81 -9.853 -4.283 -0.031 658 HE21 GLN 81 HE21 GLN 81 -8.626 -3.481 -2.092 659 HE22 GLN 81 HE22 GLN 81 -8.976 -1.849 -2.541 660 H SER 82 H SER 82 -10.734 -2.362 4.044 661 HA SER 82 HA SER 82 -9.213 -0.403 5.238 662 HB2 SER 82 HB2 SER 82 -11.581 -0.146 5.228 663 HB3 SER 82 HB3 SER 82 -11.820 -1.657 6.106 664 HG SER 82 HG SER 82 -11.489 0.797 7.090 665 H LYS 83 H LYS 83 -9.866 -3.663 6.355 666 HA LYS 83 HA LYS 83 -8.868 -3.357 8.984 667 HB2 LYS 83 HB2 LYS 83 -9.419 -5.683 7.186 668 HB3 LYS 83 HB3 LYS 83 -8.498 -5.946 8.660 669 HG2 LYS 83 HG2 LYS 83 -10.299 -5.219 10.019 670 HG3 LYS 83 HG3 LYS 83 -11.191 -4.610 8.624 671 HD2 LYS 83 HD2 LYS 83 -12.249 -6.625 9.030 672 HD3 LYS 83 HD3 LYS 83 -11.063 -7.076 7.802 673 HE2 LYS 83 HE2 LYS 83 -9.533 -7.667 9.764 674 HE3 LYS 83 HE3 LYS 83 -10.981 -7.570 10.765 675 HZ1 LYS 83 HZ1 LYS 83 -10.138 -9.645 8.995 676 HZ2 LYS 83 HZ2 LYS 83 -11.713 -9.134 8.648 677 HZ3 LYS 83 HZ3 LYS 83 -11.323 -9.678 10.202 678 H LYS 84 H LYS 84 -7.363 -4.719 6.054 679 HA LYS 84 HA LYS 84 -4.843 -5.212 7.158 680 HB2 LYS 84 HB2 LYS 84 -4.173 -5.729 5.028 681 HB3 LYS 84 HB3 LYS 84 -5.917 -5.805 4.810 682 HG2 LYS 84 HG2 LYS 84 -5.477 -4.492 3.044 683 HG3 LYS 84 HG3 LYS 84 -5.497 -3.209 4.257 684 HD2 LYS 84 HD2 LYS 84 -2.979 -3.729 4.514 685 HD3 LYS 84 HD3 LYS 84 -3.148 -4.546 2.958 686 HE2 LYS 84 HE2 LYS 84 -4.430 -2.094 2.628 687 HE3 LYS 84 HE3 LYS 84 -2.978 -1.722 3.556 688 HZ1 LYS 84 HZ1 LYS 84 -2.988 -1.878 0.924 689 HZ2 LYS 84 HZ2 LYS 84 -2.656 -3.501 1.270 690 HZ3 LYS 84 HZ3 LYS 84 -1.631 -2.285 1.849 691 H LEU 85 H LEU 85 -6.356 -2.260 6.309 692 HA LEU 85 HA LEU 85 -4.123 -0.666 5.711 693 HB2 LEU 85 HB2 LEU 85 -6.864 -0.296 5.966 694 HB3 LEU 85 HB3 LEU 85 -6.166 0.746 7.204 695 HG LEU 85 HG LEU 85 -5.517 0.835 4.258 696 HD11 LEU 85 HD11 LEU 85 -7.248 2.565 6.007 697 HD12 LEU 85 HD12 LEU 85 -7.717 1.667 4.564 698 HD13 LEU 85 HD13 LEU 85 -6.654 3.067 4.424 699 HD21 LEU 85 HD21 LEU 85 -4.377 2.961 4.894 700 HD22 LEU 85 HD22 LEU 85 -3.600 1.508 5.520 701 HD23 LEU 85 HD23 LEU 85 -4.588 2.508 6.585 702 H LYS 86 H LYS 86 -5.460 -1.774 8.740 703 HA LYS 86 HA LYS 86 -4.020 0.035 10.409 704 HB2 LYS 86 HB2 LYS 86 -4.958 -1.090 12.197 705 HB3 LYS 86 HB3 LYS 86 -6.124 -1.428 10.926 706 HG2 LYS 86 HG2 LYS 86 -4.906 -3.593 10.532 707 HG3 LYS 86 HG3 LYS 86 -4.000 -3.256 12.010 708 HD2 LYS 86 HD2 LYS 86 -5.792 -4.653 12.655 709 HD3 LYS 86 HD3 LYS 86 -6.242 -3.026 13.169 710 HE2 LYS 86 HE2 LYS 86 -7.549 -2.813 11.043 711 HE3 LYS 86 HE3 LYS 86 -7.218 -4.517 10.737 712 HZ1 LYS 86 HZ1 LYS 86 -8.737 -5.155 12.226 713 HZ2 LYS 86 HZ2 LYS 86 -9.349 -3.586 12.087 714 HZ3 LYS 86 HZ3 LYS 86 -8.299 -3.974 13.355 715 H GLU 87 H GLU 87 -3.017 -2.524 8.521 716 HA GLU 87 HA GLU 87 -1.064 -3.717 10.197 717 HB2 GLU 87 HB2 GLU 87 -1.244 -3.575 7.183 718 HB3 GLU 87 HB3 GLU 87 -0.112 -4.586 8.069 719 HG2 GLU 87 HG2 GLU 87 -3.046 -4.822 8.570 720 HG3 GLU 87 HG3 GLU 87 -2.312 -5.606 7.173 721 H LEU 88 H LEU 88 -0.328 -1.876 7.251 722 HA LEU 88 HA LEU 88 2.242 -1.124 8.163 723 HB2 LEU 88 HB2 LEU 88 2.081 0.515 6.201 724 HB3 LEU 88 HB3 LEU 88 2.024 -1.212 5.855 725 HG LEU 88 HG LEU 88 0.405 0.411 4.632 726 HD11 LEU 88 HD11 LEU 88 0.271 -2.316 5.411 727 HD12 LEU 88 HD12 LEU 88 -0.402 -1.543 3.975 728 HD13 LEU 88 HD13 LEU 88 -1.360 -1.647 5.452 729 HD21 LEU 88 HD21 LEU 88 -0.370 1.450 6.775 730 HD22 LEU 88 HD22 LEU 88 -1.176 -0.073 7.150 731 HD23 LEU 88 HD23 LEU 88 -1.662 0.856 5.731 732 H THR 89 H THR 89 -0.719 -0.047 9.137 733 HA THR 89 HA THR 89 -0.409 2.743 9.290 734 HB THR 89 HB THR 89 -2.457 1.109 9.861 735 HG1 THR 89 HG1 THR 89 -2.265 3.568 11.250 736 HG21 THR 89 HG21 THR 89 -2.892 0.878 12.157 737 HG22 THR 89 HG22 THR 89 -1.623 2.020 12.601 738 HG23 THR 89 HG23 THR 89 -1.197 0.424 11.986 739 H SER 90 H SER 90 0.935 0.161 11.166 740 HA SER 90 HA SER 90 1.633 1.770 13.438 741 HB2 SER 90 HB2 SER 90 2.772 -0.913 12.626 742 HB3 SER 90 HB3 SER 90 2.824 -0.180 14.230 743 HG SER 90 HG SER 90 0.830 -1.599 13.027 744 H ILE 91 H ILE 91 3.398 0.440 10.659 745 HA ILE 91 HA ILE 91 5.921 1.482 11.355 746 HB ILE 91 HB ILE 91 4.910 0.908 8.570 747 HG12 ILE 91 HG12 ILE 91 6.298 -0.948 10.516 748 HG13 ILE 91 HG13 ILE 91 4.585 -1.007 10.112 749 HG21 ILE 91 HG21 ILE 91 7.320 0.456 8.129 750 HG22 ILE 91 HG22 ILE 91 6.963 2.138 8.517 751 HG23 ILE 91 HG23 ILE 91 7.682 1.085 9.736 752 HD11 ILE 91 HD11 ILE 91 6.890 -1.504 8.244 753 HD12 ILE 91 HD12 ILE 91 5.768 -2.702 8.892 754 HD13 ILE 91 HD13 ILE 91 5.191 -1.470 7.769 755 H SER 92 H SER 92 3.197 2.834 9.610 756 HA SER 92 HA SER 92 4.633 5.139 8.677 757 HB2 SER 92 HB2 SER 92 2.219 5.959 8.219 758 HB3 SER 92 HB3 SER 92 2.811 4.566 7.313 759 HG SER 92 HG SER 92 1.294 4.379 9.703 760 H ASN 93 H ASN 93 5.169 6.837 9.862 761 HA ASN 93 HA ASN 93 4.077 7.196 12.508 762 HB2 ASN 93 HB2 ASN 93 6.200 8.626 10.915 763 HB3 ASN 93 HB3 ASN 93 5.658 9.218 12.483 764 HD21 ASN 93 HD21 ASN 93 8.253 8.579 12.159 765 HD22 ASN 93 HD22 ASN 93 8.633 7.129 13.018 766 H ILE 94 H ILE 94 1.873 7.633 11.894 767 HA ILE 94 HA ILE 94 1.259 10.003 10.382 768 HB ILE 94 HB ILE 94 -0.605 8.358 12.094 769 HG12 ILE 94 HG12 ILE 94 0.056 8.089 9.153 770 HG13 ILE 94 HG13 ILE 94 0.515 6.954 10.418 771 HG21 ILE 94 HG21 ILE 94 -1.654 9.658 9.706 772 HG22 ILE 94 HG22 ILE 94 -2.279 9.637 11.354 773 HG23 ILE 94 HG23 ILE 94 -1.026 10.792 10.901 774 HD11 ILE 94 HD11 ILE 94 -1.357 5.856 10.005 775 HD12 ILE 94 HD12 ILE 94 -2.254 7.239 10.634 776 HD13 ILE 94 HD13 ILE 94 -1.914 7.119 8.908 777 H ARG 95 H ARG 95 2.684 11.312 11.890 778 HA ARG 95 HA ARG 95 1.584 11.952 14.476 779 HB2 ARG 95 HB2 ARG 95 3.894 13.016 12.865 780 HB3 ARG 95 HB3 ARG 95 3.389 13.779 14.366 781 HG2 ARG 95 HG2 ARG 95 3.718 11.596 15.513 782 HG3 ARG 95 HG3 ARG 95 4.388 10.966 14.007 783 HD2 ARG 95 HD2 ARG 95 6.308 11.616 15.074 784 HD3 ARG 95 HD3 ARG 95 5.926 13.088 14.181 785 HE ARG 95 HE ARG 95 4.685 13.486 16.540 786 HH11 ARG 95 HH11 ARG 95 7.928 12.536 15.701 787 HH12 ARG 95 HH12 ARG 95 8.643 13.267 17.099 788 HH21 ARG 95 HH21 ARG 95 5.615 14.452 18.385 789 HH22 ARG 95 HH22 ARG 95 7.327 14.355 18.626 790 H TYR 96 H TYR 96 2.279 13.965 11.610 791 HA TYR 96 HA TYR 96 0.826 16.193 12.371 792 HB2 TYR 96 HB2 TYR 96 0.898 16.883 10.074 793 HB3 TYR 96 HB3 TYR 96 2.399 16.033 10.422 794 HD1 TYR 96 HD2 TYR 96 2.643 13.643 9.644 795 HD2 TYR 96 HD1 TYR 96 -0.546 16.149 8.362 796 HE1 TYR 96 HE2 TYR 96 2.239 12.141 7.738 797 HE2 TYR 96 HE1 TYR 96 -0.961 14.654 6.452 798 HH TYR 96 HH TYR 96 1.112 12.534 5.293 799 H GLY 97 H GLY 97 -0.281 13.167 11.047 800 HA2 GLY 97 HA2 GLY 97 -2.989 14.242 10.686 801 HA3 GLY 97 HA3 GLY 97 -2.413 12.685 10.106 802 H TYR 98 H TYR 98 -2.231 14.143 13.341 803 HA TYR 98 HA TYR 98 -2.864 11.755 14.675 804 HB2 TYR 98 HB2 TYR 98 -1.762 13.944 15.557 805 HB3 TYR 98 HB3 TYR 98 -3.416 14.450 15.878 806 HD1 TYR 98 HD1 TYR 98 -4.811 13.151 17.483 807 HD2 TYR 98 HD2 TYR 98 -0.663 12.362 16.953 808 HE1 TYR 98 HE1 TYR 98 -4.779 11.924 19.614 809 HE2 TYR 98 HE2 TYR 98 -0.620 11.131 19.082 810 HH TYR 98 HH TYR 98 -2.440 9.849 20.505 Start of MODEL 13 1 H1 MET 1 H MET 1 22.475 -12.448 11.913 2 HA MET 1 HA MET 1 21.978 -10.004 12.867 3 HB2 MET 1 HB2 MET 1 24.318 -10.000 13.840 4 HB3 MET 1 HB3 MET 1 23.357 -11.438 14.156 5 HG2 MET 1 HG2 MET 1 24.578 -12.730 12.640 6 HG3 MET 1 HG3 MET 1 25.282 -11.312 11.866 7 HE1 MET 1 HE1 MET 1 28.003 -10.311 13.048 8 HE2 MET 1 HE2 MET 1 28.557 -11.978 12.890 9 HE3 MET 1 HE3 MET 1 27.350 -11.340 11.773 10 H GLY 2 H GLY 2 22.093 -9.694 10.036 11 HA2 GLY 2 HA2 GLY 2 23.918 -7.398 9.923 12 HA3 GLY 2 HA3 GLY 2 24.015 -8.608 8.652 13 H LYS 3 H LYS 3 23.451 -7.102 7.058 14 HA LYS 3 HA LYS 3 20.580 -6.641 6.866 15 HB2 LYS 3 HB2 LYS 3 22.664 -4.478 6.887 16 HB3 LYS 3 HB3 LYS 3 21.165 -4.266 5.993 17 HG2 LYS 3 HG2 LYS 3 21.173 -5.024 8.893 18 HG3 LYS 3 HG3 LYS 3 21.275 -3.342 8.365 19 HD2 LYS 3 HD2 LYS 3 19.100 -5.206 7.442 20 HD3 LYS 3 HD3 LYS 3 18.955 -4.222 8.900 21 HE2 LYS 3 HE2 LYS 3 19.516 -3.140 6.141 22 HE3 LYS 3 HE3 LYS 3 17.923 -3.188 6.894 23 HZ1 LYS 3 HZ1 LYS 3 18.474 -1.154 7.605 24 HZ2 LYS 3 HZ2 LYS 3 20.132 -1.389 7.368 25 HZ3 LYS 3 HZ3 LYS 3 19.390 -1.962 8.776 26 H LEU 4 H LEU 4 20.040 -7.559 5.005 27 HA LEU 4 HA LEU 4 21.925 -7.414 2.752 28 HB2 LEU 4 HB2 LEU 4 19.577 -9.271 3.091 29 HB3 LEU 4 HB3 LEU 4 20.823 -9.350 1.846 30 HG LEU 4 HG LEU 4 21.640 -9.603 4.701 31 HD11 LEU 4 HD11 LEU 4 21.168 -11.959 4.728 32 HD12 LEU 4 HD12 LEU 4 20.494 -11.885 3.100 33 HD13 LEU 4 HD13 LEU 4 19.669 -11.078 4.433 34 HD21 LEU 4 HD21 LEU 4 22.804 -11.473 2.894 35 HD22 LEU 4 HD22 LEU 4 23.568 -10.127 3.741 36 HD23 LEU 4 HD23 LEU 4 22.839 -9.871 2.154 37 H LYS 5 H LYS 5 20.996 -7.166 0.591 38 HA LYS 5 HA LYS 5 18.648 -5.389 0.642 39 HB2 LYS 5 HB2 LYS 5 20.814 -5.495 -1.461 40 HB3 LYS 5 HB3 LYS 5 19.540 -4.292 -1.311 41 HG2 LYS 5 HG2 LYS 5 21.642 -4.717 0.794 42 HG3 LYS 5 HG3 LYS 5 21.827 -3.583 -0.545 43 HD2 LYS 5 HD2 LYS 5 19.381 -3.464 1.168 44 HD3 LYS 5 HD3 LYS 5 20.893 -2.761 1.753 45 HE2 LYS 5 HE2 LYS 5 20.021 -0.942 0.689 46 HE3 LYS 5 HE3 LYS 5 20.892 -1.672 -0.658 47 HZ1 LYS 5 HZ1 LYS 5 18.080 -2.391 -0.166 48 HZ2 LYS 5 HZ2 LYS 5 18.956 -2.433 -1.613 49 HZ3 LYS 5 HZ3 LYS 5 18.450 -0.951 -0.972 50 H TRP 6 H TRP 6 17.318 -7.344 0.553 51 HA TRP 6 HA TRP 6 16.688 -8.005 -2.190 52 HB2 TRP 6 HB2 TRP 6 18.438 -9.678 -1.496 53 HB3 TRP 6 HB3 TRP 6 17.313 -10.252 -0.267 54 HD1 TRP 6 HD1 TRP 6 14.902 -11.248 -1.286 55 HE1 TRP 6 HE1 TRP 6 14.525 -12.639 -3.418 56 HE3 TRP 6 HE3 TRP 6 19.230 -10.125 -3.765 57 HZ2 TRP 6 HZ2 TRP 6 15.882 -13.188 -5.830 58 HZ3 TRP 6 HZ3 TRP 6 19.613 -11.125 -5.979 59 HH2 TRP 6 HH2 TRP 6 17.974 -12.626 -6.989 60 H PHE 7 H PHE 7 14.567 -8.604 -2.470 61 HA PHE 7 HA PHE 7 12.816 -8.103 -0.230 62 HB2 PHE 7 HB2 PHE 7 12.007 -8.953 -3.012 63 HB3 PHE 7 HB3 PHE 7 11.036 -8.093 -1.822 64 HD1 PHE 7 HD1 PHE 7 12.824 -5.983 -0.925 65 HD2 PHE 7 HD2 PHE 7 12.201 -7.551 -4.833 66 HE1 PHE 7 HE1 PHE 7 13.535 -3.836 -1.896 67 HE2 PHE 7 HE2 PHE 7 12.911 -5.407 -5.810 68 HZ PHE 7 HZ PHE 7 13.579 -3.546 -4.341 69 H SER 8 H SER 8 13.477 -9.962 1.040 70 HA SER 8 HA SER 8 11.662 -12.101 0.862 71 HB2 SER 8 HB2 SER 8 13.441 -12.584 -1.004 72 HB3 SER 8 HB3 SER 8 14.447 -13.093 0.353 73 HG SER 8 HG SER 8 13.233 -14.827 -0.526 74 H GLY 9 H GLY 9 11.556 -13.210 2.767 75 HA2 GLY 9 HA2 GLY 9 13.155 -14.059 4.621 76 HA3 GLY 9 HA3 GLY 9 13.450 -12.341 4.841 77 H GLY 10 H GLY 10 11.369 -11.013 5.116 78 HA2 GLY 10 HA2 GLY 10 9.083 -11.002 5.907 79 HA3 GLY 10 HA3 GLY 10 9.400 -12.543 6.690 80 H LYS 11 H LYS 11 12.092 -11.357 7.536 81 HA LYS 11 HA LYS 11 11.218 -10.479 10.110 82 HB2 LYS 11 HB2 LYS 11 13.625 -10.211 10.585 83 HB3 LYS 11 HB3 LYS 11 13.253 -11.783 9.889 84 HG2 LYS 11 HG2 LYS 11 13.866 -10.009 7.763 85 HG3 LYS 11 HG3 LYS 11 15.117 -9.847 8.998 86 HD2 LYS 11 HD2 LYS 11 14.218 -12.572 8.175 87 HD3 LYS 11 HD3 LYS 11 15.318 -11.673 7.128 88 HE2 LYS 11 HE2 LYS 11 16.769 -12.874 8.477 89 HE3 LYS 11 HE3 LYS 11 16.695 -11.311 9.289 90 HZ1 LYS 11 HZ1 LYS 11 16.223 -13.740 10.433 91 HZ2 LYS 11 HZ2 LYS 11 14.671 -13.109 10.206 92 HZ3 LYS 11 HZ3 LYS 11 15.816 -12.237 11.092 93 H GLU 12 H GLU 12 12.256 -8.905 7.182 94 HA GLU 12 HA GLU 12 12.822 -6.365 8.327 95 HB2 GLU 12 HB2 GLU 12 12.044 -7.063 5.490 96 HB3 GLU 12 HB3 GLU 12 12.737 -5.535 6.015 97 HG2 GLU 12 HG2 GLU 12 14.242 -8.008 6.640 98 HG3 GLU 12 HG3 GLU 12 14.199 -7.475 4.961 99 H ARG 13 H ARG 13 11.468 -4.860 9.039 100 HA ARG 13 HA ARG 13 8.637 -5.249 8.907 101 HB2 ARG 13 HB2 ARG 13 10.479 -3.288 10.175 102 HB3 ARG 13 HB3 ARG 13 8.815 -2.781 9.914 103 HG2 ARG 13 HG2 ARG 13 9.485 -5.355 11.299 104 HG3 ARG 13 HG3 ARG 13 9.392 -3.818 12.163 105 HD2 ARG 13 HD2 ARG 13 7.082 -3.549 11.189 106 HD3 ARG 13 HD3 ARG 13 7.208 -5.219 10.638 107 HE ARG 13 HE ARG 13 7.720 -4.869 13.449 108 HH11 ARG 13 HH11 ARG 13 5.288 -5.389 11.012 109 HH12 ARG 13 HH12 ARG 13 4.155 -6.105 12.111 110 HH21 ARG 13 HH21 ARG 13 6.238 -5.812 14.904 111 HH22 ARG 13 HH22 ARG 13 4.696 -6.344 14.323 112 H SER 14 H SER 14 10.972 -3.287 7.203 113 HA SER 14 HA SER 14 9.147 -1.475 6.017 114 HB2 SER 14 HB2 SER 14 11.987 -2.228 5.618 115 HB3 SER 14 HB3 SER 14 11.175 -1.492 4.237 116 HG SER 14 HG SER 14 12.241 -0.060 5.861 117 H ASN 15 H ASN 15 10.557 -4.536 4.914 118 HA ASN 15 HA ASN 15 9.256 -4.497 2.379 119 HB2 ASN 15 HB2 ASN 15 10.882 -6.442 3.929 120 HB3 ASN 15 HB3 ASN 15 9.835 -7.100 2.675 121 HD21 ASN 15 HD21 ASN 15 12.362 -4.719 3.279 122 HD22 ASN 15 HD22 ASN 15 13.033 -4.762 1.687 123 H GLN 16 H GLN 16 8.292 -5.384 5.554 124 HA GLN 16 HA GLN 16 6.339 -7.313 5.028 125 HB2 GLN 16 HB2 GLN 16 7.166 -6.700 7.290 126 HB3 GLN 16 HB3 GLN 16 6.276 -5.188 7.177 127 HG2 GLN 16 HG2 GLN 16 4.701 -6.340 8.277 128 HG3 GLN 16 HG3 GLN 16 4.297 -6.929 6.666 129 HE21 GLN 16 HE21 GLN 16 5.597 -7.707 9.753 130 HE22 GLN 16 HE22 GLN 16 5.777 -9.405 9.494 131 H ALA 17 H ALA 17 6.035 -3.775 5.240 132 HA ALA 17 HA ALA 17 3.294 -3.597 4.755 133 HB1 ALA 17 HB1 ALA 17 4.231 -1.312 3.624 134 HB2 ALA 17 HB2 ALA 17 3.984 -1.547 5.354 135 HB3 ALA 17 HB3 ALA 17 5.587 -1.770 4.654 136 H GLU 18 H GLU 18 5.999 -3.414 2.443 137 HA GLU 18 HA GLU 18 4.539 -3.026 0.121 138 HB2 GLU 18 HB2 GLU 18 6.919 -2.836 0.053 139 HB3 GLU 18 HB3 GLU 18 7.130 -4.497 0.590 140 HG2 GLU 18 HG2 GLU 18 5.670 -4.003 -1.951 141 HG3 GLU 18 HG3 GLU 18 7.423 -3.817 -1.930 142 H ASN 19 H ASN 19 5.427 -6.071 1.707 143 HA ASN 19 HA ASN 19 4.410 -7.835 -0.199 144 HB2 ASN 19 HB2 ASN 19 4.914 -8.012 2.747 145 HB3 ASN 19 HB3 ASN 19 4.049 -9.321 1.946 146 HD21 ASN 19 HD21 ASN 19 6.618 -9.427 3.216 147 HD22 ASN 19 HD22 ASN 19 7.758 -9.898 2.006 148 H ILE 20 H ILE 20 2.814 -6.309 2.574 149 HA ILE 20 HA ILE 20 0.348 -7.610 2.373 150 HB ILE 20 HB ILE 20 0.896 -4.799 3.333 151 HG12 ILE 20 HG12 ILE 20 0.409 -7.069 5.191 152 HG13 ILE 20 HG13 ILE 20 1.971 -7.021 4.380 153 HG21 ILE 20 HG21 ILE 20 -1.469 -5.180 2.816 154 HG22 ILE 20 HG22 ILE 20 -1.466 -6.596 3.866 155 HG23 ILE 20 HG23 ILE 20 -1.203 -4.992 4.549 156 HD11 ILE 20 HD11 ILE 20 2.693 -5.309 5.621 157 HD12 ILE 20 HD12 ILE 20 1.137 -4.478 5.563 158 HD13 ILE 20 HD13 ILE 20 1.398 -5.786 6.718 159 H ILE 21 H ILE 21 1.439 -4.549 0.934 160 HA ILE 21 HA ILE 21 -0.886 -3.726 -0.287 161 HB ILE 21 HB ILE 21 1.908 -3.520 -1.415 162 HG12 ILE 21 HG12 ILE 21 0.336 -1.539 0.247 163 HG13 ILE 21 HG13 ILE 21 1.601 -2.588 0.879 164 HG21 ILE 21 HG21 ILE 21 1.034 -1.587 -2.656 165 HG22 ILE 21 HG22 ILE 21 0.238 -3.089 -3.119 166 HG23 ILE 21 HG23 ILE 21 -0.585 -1.949 -2.056 167 HD11 ILE 21 HD11 ILE 21 1.966 -0.478 -1.235 168 HD12 ILE 21 HD12 ILE 21 2.419 -0.335 0.465 169 HD13 ILE 21 HD13 ILE 21 3.230 -1.512 -0.569 170 H THR 22 H THR 22 1.525 -6.014 -1.524 171 HA THR 22 HA THR 22 0.451 -6.448 -4.053 172 HB THR 22 HB THR 22 1.737 -8.613 -2.389 173 HG1 THR 22 HG1 THR 22 3.545 -7.521 -2.482 174 HG21 THR 22 HG21 THR 22 1.380 -8.092 -5.319 175 HG22 THR 22 HG22 THR 22 1.064 -9.565 -4.401 176 HG23 THR 22 HG23 THR 22 2.724 -9.077 -4.743 177 H ASP 23 H ASP 23 -0.560 -7.648 -0.938 178 HA ASP 23 HA ASP 23 -2.143 -9.810 -1.761 179 HB2 ASP 23 HB2 ASP 23 -1.443 -9.049 0.625 180 HB3 ASP 23 HB3 ASP 23 -2.904 -8.068 0.564 181 H LEU 24 H LEU 24 -3.314 -6.589 -0.763 182 HA LEU 24 HA LEU 24 -5.920 -6.822 -1.589 183 HB2 LEU 24 HB2 LEU 24 -4.132 -4.398 -1.646 184 HB3 LEU 24 HB3 LEU 24 -5.879 -4.339 -1.876 185 HG LEU 24 HG LEU 24 -4.374 -5.092 0.623 186 HD11 LEU 24 HD11 LEU 24 -4.513 -2.766 0.491 187 HD12 LEU 24 HD12 LEU 24 -5.884 -3.223 1.500 188 HD13 LEU 24 HD13 LEU 24 -6.139 -2.809 -0.195 189 HD21 LEU 24 HD21 LEU 24 -7.280 -5.418 -0.075 190 HD22 LEU 24 HD22 LEU 24 -6.713 -5.295 1.591 191 HD23 LEU 24 HD23 LEU 24 -6.164 -6.622 0.567 192 H LEU 25 H LEU 25 -3.078 -6.174 -3.531 193 HA LEU 25 HA LEU 25 -4.325 -5.302 -5.882 194 HB2 LEU 25 HB2 LEU 25 -1.707 -6.381 -5.120 195 HB3 LEU 25 HB3 LEU 25 -2.158 -6.679 -6.798 196 HG LEU 25 HG LEU 25 -0.770 -4.639 -6.438 197 HD11 LEU 25 HD11 LEU 25 -3.381 -4.736 -7.801 198 HD12 LEU 25 HD12 LEU 25 -1.772 -4.409 -8.444 199 HD13 LEU 25 HD13 LEU 25 -2.664 -3.136 -7.610 200 HD21 LEU 25 HD21 LEU 25 -3.050 -3.059 -5.512 201 HD22 LEU 25 HD22 LEU 25 -1.350 -2.983 -5.047 202 HD23 LEU 25 HD23 LEU 25 -2.414 -4.179 -4.306 203 H ASP 26 H ASP 26 -3.084 -8.573 -5.174 204 HA ASP 26 HA ASP 26 -4.301 -9.795 -7.398 205 HB2 ASP 26 HB2 ASP 26 -2.403 -10.672 -5.883 206 HB3 ASP 26 HB3 ASP 26 -3.695 -11.253 -4.836 207 H ASP 27 H ASP 27 -5.337 -9.491 -4.024 208 HA ASP 27 HA ASP 27 -7.654 -11.058 -4.202 209 HB2 ASP 27 HB2 ASP 27 -6.440 -9.958 -2.140 210 HB3 ASP 27 HB3 ASP 27 -7.579 -8.647 -2.431 211 H LEU 28 H LEU 28 -7.022 -7.734 -5.086 212 HA LEU 28 HA LEU 28 -9.728 -6.926 -5.364 213 HB2 LEU 28 HB2 LEU 28 -7.078 -5.864 -6.140 214 HB3 LEU 28 HB3 LEU 28 -8.468 -5.264 -7.042 215 HG LEU 28 HG LEU 28 -8.438 -5.180 -4.047 216 HD11 LEU 28 HD11 LEU 28 -7.260 -3.205 -3.960 217 HD12 LEU 28 HD12 LEU 28 -7.520 -2.849 -5.668 218 HD13 LEU 28 HD13 LEU 28 -6.366 -4.095 -5.193 219 HD21 LEU 28 HD21 LEU 28 -10.192 -3.740 -4.256 220 HD22 LEU 28 HD22 LEU 28 -10.432 -4.694 -5.720 221 HD23 LEU 28 HD23 LEU 28 -9.644 -3.119 -5.812 222 H LYS 29 H LYS 29 -7.611 -8.804 -7.310 223 HA LYS 29 HA LYS 29 -8.460 -8.391 -9.884 224 HB2 LYS 29 HB2 LYS 29 -6.686 -9.960 -9.339 225 HB3 LYS 29 HB3 LYS 29 -7.834 -11.024 -8.536 226 HG2 LYS 29 HG2 LYS 29 -8.904 -11.544 -10.613 227 HG3 LYS 29 HG3 LYS 29 -7.939 -10.336 -11.464 228 HD2 LYS 29 HD2 LYS 29 -7.022 -12.520 -11.896 229 HD3 LYS 29 HD3 LYS 29 -5.900 -11.619 -10.874 230 HE2 LYS 29 HE2 LYS 29 -6.682 -12.800 -8.915 231 HE3 LYS 29 HE3 LYS 29 -7.914 -13.628 -9.867 232 HZ1 LYS 29 HZ1 LYS 29 -5.108 -13.902 -10.670 233 HZ2 LYS 29 HZ2 LYS 29 -6.385 -15.000 -10.826 234 HZ3 LYS 29 HZ3 LYS 29 -5.645 -14.771 -9.321 235 H THR 30 H THR 30 -9.886 -10.757 -7.623 236 HA THR 30 HA THR 30 -12.192 -11.091 -9.341 237 HB THR 30 HB THR 30 -12.921 -12.790 -7.829 238 HG1 THR 30 HG1 THR 30 -11.998 -13.049 -5.787 239 HG21 THR 30 HG21 THR 30 -10.172 -13.535 -7.421 240 HG22 THR 30 HG22 THR 30 -10.378 -12.814 -9.016 241 HG23 THR 30 HG23 THR 30 -11.354 -14.205 -8.544 242 H ASP 31 H ASP 31 -11.299 -9.207 -6.601 243 HA ASP 31 HA ASP 31 -13.850 -8.756 -5.481 244 HB2 ASP 31 HB2 ASP 31 -11.344 -8.109 -4.728 245 HB3 ASP 31 HB3 ASP 31 -11.867 -6.554 -5.372 246 H LEU 32 H LEU 32 -14.264 -6.066 -5.383 247 HA LEU 32 HA LEU 32 -15.790 -5.539 -7.629 248 HB2 LEU 32 HB2 LEU 32 -14.663 -3.852 -5.447 249 HB3 LEU 32 HB3 LEU 32 -15.422 -3.060 -6.826 250 HG LEU 32 HG LEU 32 -16.899 -5.185 -5.325 251 HD11 LEU 32 HD11 LEU 32 -15.860 -3.136 -3.925 252 HD12 LEU 32 HD12 LEU 32 -17.416 -3.882 -3.562 253 HD13 LEU 32 HD13 LEU 32 -17.351 -2.392 -4.503 254 HD21 LEU 32 HD21 LEU 32 -18.332 -4.635 -6.950 255 HD22 LEU 32 HD22 LEU 32 -17.452 -3.161 -7.353 256 HD23 LEU 32 HD23 LEU 32 -18.612 -3.162 -6.023 257 H ASP 33 H ASP 33 -15.455 -3.445 -8.986 258 HA ASP 33 HA ASP 33 -13.052 -3.860 -10.524 259 HB2 ASP 33 HB2 ASP 33 -14.970 -1.619 -11.047 260 HB3 ASP 33 HB3 ASP 33 -14.057 -2.595 -12.194 261 H ASN 34 H ASN 34 -11.190 -2.946 -9.990 262 HA ASN 34 HA ASN 34 -11.151 -0.122 -9.247 263 HB2 ASN 34 HB2 ASN 34 -9.609 -2.160 -7.636 264 HB3 ASN 34 HB3 ASN 34 -9.800 -0.442 -7.300 265 HD21 ASN 34 HD21 ASN 34 -11.344 0.144 -5.947 266 HD22 ASN 34 HD22 ASN 34 -12.655 -0.851 -5.421 267 H GLU 35 H GLU 35 -10.459 -1.154 -11.689 268 HA GLU 35 HA GLU 35 -7.755 -1.869 -11.982 269 HB2 GLU 35 HB2 GLU 35 -9.886 -0.838 -13.790 270 HB3 GLU 35 HB3 GLU 35 -8.224 -0.751 -14.355 271 HG2 GLU 35 HG2 GLU 35 -9.399 -3.298 -13.302 272 HG3 GLU 35 HG3 GLU 35 -9.587 -2.806 -14.984 273 H SER 36 H SER 36 -9.293 1.168 -11.425 274 HA SER 36 HA SER 36 -6.947 2.693 -12.241 275 HB2 SER 36 HB2 SER 36 -9.406 3.828 -10.920 276 HB3 SER 36 HB3 SER 36 -8.268 4.635 -11.998 277 HG SER 36 HG SER 36 -9.985 4.172 -13.260 278 H LEU 37 H LEU 37 -8.743 1.861 -9.315 279 HA LEU 37 HA LEU 37 -7.362 3.442 -7.484 280 HB2 LEU 37 HB2 LEU 37 -9.432 1.794 -7.280 281 HB3 LEU 37 HB3 LEU 37 -8.184 0.704 -6.678 282 HG LEU 37 HG LEU 37 -9.194 1.705 -4.786 283 HD11 LEU 37 HD11 LEU 37 -6.646 1.622 -4.944 284 HD12 LEU 37 HD12 LEU 37 -7.353 2.645 -3.694 285 HD13 LEU 37 HD13 LEU 37 -6.728 3.369 -5.176 286 HD21 LEU 37 HD21 LEU 37 -8.593 4.467 -5.775 287 HD22 LEU 37 HD22 LEU 37 -9.725 3.949 -4.524 288 HD23 LEU 37 HD23 LEU 37 -10.093 3.655 -6.224 289 H LYS 38 H LYS 38 -6.596 0.254 -8.787 290 HA LYS 38 HA LYS 38 -4.515 -0.493 -7.128 291 HB2 LYS 38 HB2 LYS 38 -5.006 -0.964 -10.060 292 HB3 LYS 38 HB3 LYS 38 -3.599 -1.637 -9.246 293 HG2 LYS 38 HG2 LYS 38 -4.805 -3.203 -8.173 294 HG3 LYS 38 HG3 LYS 38 -6.177 -2.123 -7.918 295 HD2 LYS 38 HD2 LYS 38 -6.608 -2.370 -10.426 296 HD3 LYS 38 HD3 LYS 38 -5.483 -3.729 -10.362 297 HE2 LYS 38 HE2 LYS 38 -6.885 -4.984 -9.000 298 HE3 LYS 38 HE3 LYS 38 -7.778 -3.569 -8.447 299 HZ1 LYS 38 HZ1 LYS 38 -7.913 -4.790 -11.150 300 HZ2 LYS 38 HZ2 LYS 38 -8.706 -3.367 -10.697 301 HZ3 LYS 38 HZ3 LYS 38 -9.118 -4.835 -9.965 302 H LYS 39 H LYS 39 -4.620 2.019 -9.497 303 HA LYS 39 HA LYS 39 -1.968 2.338 -10.197 304 HB2 LYS 39 HB2 LYS 39 -2.515 4.501 -10.868 305 HB3 LYS 39 HB3 LYS 39 -4.065 3.672 -10.924 306 HG2 LYS 39 HG2 LYS 39 -4.624 4.605 -8.720 307 HG3 LYS 39 HG3 LYS 39 -3.087 5.474 -8.717 308 HD2 LYS 39 HD2 LYS 39 -4.109 7.148 -9.769 309 HD3 LYS 39 HD3 LYS 39 -4.297 6.086 -11.168 310 HE2 LYS 39 HE2 LYS 39 -6.487 5.716 -10.755 311 HE3 LYS 39 HE3 LYS 39 -6.267 5.718 -9.006 312 HZ1 LYS 39 HZ1 LYS 39 -6.260 8.156 -10.700 313 HZ2 LYS 39 HZ2 LYS 39 -6.198 8.100 -9.011 314 HZ3 LYS 39 HZ3 LYS 39 -7.597 7.603 -9.822 315 H VAL 40 H VAL 40 -3.622 3.372 -7.255 316 HA VAL 40 HA VAL 40 -1.433 4.834 -6.183 317 HB VAL 40 HB VAL 40 -3.928 3.688 -4.957 318 HG11 VAL 40 HG11 VAL 40 -3.242 5.048 -2.914 319 HG12 VAL 40 HG12 VAL 40 -2.417 3.509 -3.166 320 HG13 VAL 40 HG13 VAL 40 -1.613 5.022 -3.585 321 HG21 VAL 40 HG21 VAL 40 -4.773 5.620 -5.652 322 HG22 VAL 40 HG22 VAL 40 -3.681 6.455 -4.548 323 HG23 VAL 40 HG23 VAL 40 -3.191 6.157 -6.215 324 H LEU 41 H LEU 41 -2.793 1.677 -5.216 325 HA LEU 41 HA LEU 41 -0.834 0.934 -3.421 326 HB2 LEU 41 HB2 LEU 41 -2.159 -1.001 -5.300 327 HB3 LEU 41 HB3 LEU 41 -1.595 -1.296 -3.656 328 HG LEU 41 HG LEU 41 -3.991 0.340 -4.480 329 HD11 LEU 41 HD11 LEU 41 -3.671 -2.322 -3.117 330 HD12 LEU 41 HD12 LEU 41 -4.481 -1.977 -4.645 331 HD13 LEU 41 HD13 LEU 41 -5.178 -1.408 -3.129 332 HD21 LEU 41 HD21 LEU 41 -2.372 0.509 -2.134 333 HD22 LEU 41 HD22 LEU 41 -3.950 -0.153 -1.703 334 HD23 LEU 41 HD23 LEU 41 -3.841 1.398 -2.536 335 H GLU 42 H GLU 42 -0.958 0.201 -6.905 336 HA GLU 42 HA GLU 42 1.465 -1.190 -7.051 337 HB2 GLU 42 HB2 GLU 42 -0.116 0.374 -9.076 338 HB3 GLU 42 HB3 GLU 42 1.406 -0.394 -9.501 339 HG2 GLU 42 HG2 GLU 42 0.006 -2.398 -8.227 340 HG3 GLU 42 HG3 GLU 42 -1.228 -1.549 -9.156 341 H ASN 43 H ASN 43 0.825 2.215 -7.910 342 HA ASN 43 HA ASN 43 3.400 3.007 -8.473 343 HB2 ASN 43 HB2 ASN 43 1.373 4.410 -8.787 344 HB3 ASN 43 HB3 ASN 43 1.313 4.670 -7.046 345 HD21 ASN 43 HD21 ASN 43 2.203 6.040 -9.847 346 HD22 ASN 43 HD22 ASN 43 3.452 7.096 -9.290 347 H TYR 44 H TYR 44 1.776 3.435 -5.322 348 HA TYR 44 HA TYR 44 4.004 4.303 -3.903 349 HB2 TYR 44 HB2 TYR 44 1.463 2.927 -3.092 350 HB3 TYR 44 HB3 TYR 44 2.711 3.261 -1.897 351 HD1 TYR 44 HD1 TYR 44 0.983 5.087 -4.672 352 HD2 TYR 44 HD2 TYR 44 2.435 5.189 -0.674 353 HE1 TYR 44 HE1 TYR 44 0.123 7.379 -4.425 354 HE2 TYR 44 HE2 TYR 44 1.578 7.480 -0.415 355 HH TYR 44 HH TYR 44 0.418 9.128 -1.349 356 H LEU 45 H LEU 45 2.846 1.027 -4.528 357 HA LEU 45 HA LEU 45 4.559 -0.372 -2.828 358 HB2 LEU 45 HB2 LEU 45 2.857 -1.641 -3.747 359 HB3 LEU 45 HB3 LEU 45 3.152 -1.039 -5.376 360 HG LEU 45 HG LEU 45 5.371 -2.607 -4.305 361 HD11 LEU 45 HD11 LEU 45 4.127 -4.770 -4.683 362 HD12 LEU 45 HD12 LEU 45 2.638 -3.834 -4.561 363 HD13 LEU 45 HD13 LEU 45 3.746 -3.910 -3.192 364 HD21 LEU 45 HD21 LEU 45 3.749 -2.452 -6.818 365 HD22 LEU 45 HD22 LEU 45 4.862 -3.794 -6.545 366 HD23 LEU 45 HD23 LEU 45 5.468 -2.137 -6.575 367 H GLU 46 H GLU 46 5.033 0.697 -6.173 368 HA GLU 46 HA GLU 46 7.589 -0.495 -6.483 369 HB2 GLU 46 HB2 GLU 46 5.784 0.835 -8.132 370 HB3 GLU 46 HB3 GLU 46 7.188 1.891 -8.095 371 HG2 GLU 46 HG2 GLU 46 8.517 -0.281 -8.582 372 HG3 GLU 46 HG3 GLU 46 6.954 -0.907 -9.105 373 H GLU 47 H GLU 47 6.483 2.612 -5.295 374 HA GLU 47 HA GLU 47 8.844 4.064 -5.354 375 HB2 GLU 47 HB2 GLU 47 6.646 4.111 -3.280 376 HB3 GLU 47 HB3 GLU 47 7.904 5.330 -3.427 377 HG2 GLU 47 HG2 GLU 47 6.970 5.374 -5.930 378 HG3 GLU 47 HG3 GLU 47 5.510 4.861 -5.086 379 H LEU 48 H LEU 48 7.685 1.775 -2.915 380 HA LEU 48 HA LEU 48 9.620 2.131 -0.969 381 HB2 LEU 48 HB2 LEU 48 8.217 -0.383 -1.853 382 HB3 LEU 48 HB3 LEU 48 9.207 -0.272 -0.399 383 HG LEU 48 HG LEU 48 7.173 1.783 -0.439 384 HD11 LEU 48 HD11 LEU 48 5.239 0.647 -0.695 385 HD12 LEU 48 HD12 LEU 48 5.918 -0.868 -0.098 386 HD13 LEU 48 HD13 LEU 48 6.233 -0.352 -1.756 387 HD21 LEU 48 HD21 LEU 48 6.884 1.145 1.776 388 HD22 LEU 48 HD22 LEU 48 8.578 0.762 1.468 389 HD23 LEU 48 HD23 LEU 48 7.368 -0.522 1.464 390 H LYS 49 H LYS 49 9.861 0.587 -4.071 391 HA LYS 49 HA LYS 49 12.322 -0.785 -3.509 392 HB2 LYS 49 HB2 LYS 49 11.371 -0.131 -6.277 393 HB3 LYS 49 HB3 LYS 49 12.242 -1.551 -5.713 394 HG2 LYS 49 HG2 LYS 49 9.349 -0.889 -5.221 395 HG3 LYS 49 HG3 LYS 49 9.993 -2.174 -6.245 396 HD2 LYS 49 HD2 LYS 49 11.021 -3.194 -4.228 397 HD3 LYS 49 HD3 LYS 49 10.232 -1.958 -3.245 398 HE2 LYS 49 HE2 LYS 49 8.156 -2.867 -3.523 399 HE3 LYS 49 HE3 LYS 49 8.542 -3.535 -5.109 400 HZ1 LYS 49 HZ1 LYS 49 9.412 -4.603 -2.479 401 HZ2 LYS 49 HZ2 LYS 49 9.931 -5.203 -3.972 402 HZ3 LYS 49 HZ3 LYS 49 8.299 -5.309 -3.539 403 H GLN 50 H GLN 50 11.383 2.298 -4.890 404 HA GLN 50 HA GLN 50 14.029 2.944 -5.810 405 HB2 GLN 50 HB2 GLN 50 11.762 4.881 -5.377 406 HB3 GLN 50 HB3 GLN 50 13.123 5.039 -6.479 407 HG2 GLN 50 HG2 GLN 50 12.159 2.920 -7.596 408 HG3 GLN 50 HG3 GLN 50 10.684 3.333 -6.724 409 HE21 GLN 50 HE21 GLN 50 9.936 3.443 -9.017 410 HE22 GLN 50 HE22 GLN 50 10.071 4.964 -9.824 411 H LYS 51 H LYS 51 14.979 5.122 -5.068 412 HA LYS 51 HA LYS 51 15.010 5.125 -2.123 413 HB2 LYS 51 HB2 LYS 51 17.280 6.049 -2.296 414 HB3 LYS 51 HB3 LYS 51 17.149 4.500 -3.120 415 HG2 LYS 51 HG2 LYS 51 16.783 5.866 -5.248 416 HG3 LYS 51 HG3 LYS 51 17.371 7.242 -4.311 417 HD2 LYS 51 HD2 LYS 51 19.482 6.223 -3.967 418 HD3 LYS 51 HD3 LYS 51 18.901 4.660 -4.544 419 HE2 LYS 51 HE2 LYS 51 18.690 5.516 -6.787 420 HE3 LYS 51 HE3 LYS 51 19.098 7.143 -6.245 421 HZ1 LYS 51 HZ1 LYS 51 21.099 5.259 -5.499 422 HZ2 LYS 51 HZ2 LYS 51 21.251 6.688 -6.390 423 HZ3 LYS 51 HZ3 LYS 51 20.844 5.244 -7.171 424 H SER 52 H SER 52 13.454 6.697 -4.358 425 HA SER 52 HA SER 52 14.162 9.430 -3.700 426 HB2 SER 52 HB2 SER 52 11.898 8.335 -5.388 427 HB3 SER 52 HB3 SER 52 12.342 10.036 -5.253 428 HG SER 52 HG SER 52 13.470 8.054 -6.749 429 H ALA 53 H ALA 53 12.650 7.163 -2.004 430 HA ALA 53 HA ALA 53 11.276 9.048 -0.345 431 HB1 ALA 53 HB1 ALA 53 9.573 6.962 -1.699 432 HB2 ALA 53 HB2 ALA 53 9.044 8.185 -0.542 433 HB3 ALA 53 HB3 ALA 53 9.605 8.669 -2.143 434 H SER 54 H SER 54 11.159 8.332 1.716 435 HA SER 54 HA SER 54 12.449 5.855 2.357 436 HB2 SER 54 HB2 SER 54 12.557 8.061 3.678 437 HB3 SER 54 HB3 SER 54 10.981 7.605 4.325 438 HG SER 54 HG SER 54 13.486 6.536 4.823 439 H VAL 55 H VAL 55 11.554 4.139 3.614 440 HA VAL 55 HA VAL 55 9.195 3.065 2.677 441 HB VAL 55 HB VAL 55 10.892 2.525 5.059 442 HG11 VAL 55 HG11 VAL 55 8.053 1.615 4.756 443 HG12 VAL 55 HG12 VAL 55 9.242 0.620 5.597 444 HG13 VAL 55 HG13 VAL 55 8.874 2.242 6.185 445 HG21 VAL 55 HG21 VAL 55 11.684 1.019 3.632 446 HG22 VAL 55 HG22 VAL 55 10.124 0.196 3.665 447 HG23 VAL 55 HG23 VAL 55 10.440 1.437 2.453 448 HA PRO 56 HA PRO 56 6.905 4.622 6.640 449 HB2 PRO 56 HB2 PRO 56 8.191 6.449 8.180 450 HB3 PRO 56 HB3 PRO 56 8.342 4.706 8.431 451 HG2 PRO 56 HG2 PRO 56 10.197 6.585 7.020 452 HG3 PRO 56 HG3 PRO 56 10.580 5.269 8.147 453 HD2 PRO 56 HD2 PRO 56 10.812 5.000 5.463 454 HD3 PRO 56 HD3 PRO 56 10.370 3.647 6.523 455 H LEU 57 H LEU 57 8.811 6.643 4.600 456 HA LEU 57 HA LEU 57 7.259 9.032 4.998 457 HB2 LEU 57 HB2 LEU 57 9.463 9.439 4.358 458 HB3 LEU 57 HB3 LEU 57 9.422 8.206 3.101 459 HG LEU 57 HG LEU 57 8.098 9.621 1.678 460 HD11 LEU 57 HD11 LEU 57 6.680 11.050 2.616 461 HD12 LEU 57 HD12 LEU 57 8.056 12.113 2.908 462 HD13 LEU 57 HD13 LEU 57 7.532 10.986 4.158 463 HD21 LEU 57 HD21 LEU 57 9.708 11.747 1.818 464 HD22 LEU 57 HD22 LEU 57 10.236 10.188 1.181 465 HD23 LEU 57 HD23 LEU 57 10.622 10.639 2.843 466 H ILE 58 H ILE 58 7.292 6.345 2.747 467 HA ILE 58 HA ILE 58 5.352 7.557 0.984 468 HB ILE 58 HB ILE 58 6.360 4.710 1.056 469 HG12 ILE 58 HG12 ILE 58 7.221 6.475 -1.125 470 HG13 ILE 58 HG13 ILE 58 7.805 6.974 0.459 471 HG21 ILE 58 HG21 ILE 58 4.322 6.056 -0.513 472 HG22 ILE 58 HG22 ILE 58 5.572 5.324 -1.519 473 HG23 ILE 58 HG23 ILE 58 4.681 4.335 -0.362 474 HD11 ILE 58 HD11 ILE 58 9.431 5.494 0.250 475 HD12 ILE 58 HD12 ILE 58 8.222 4.212 0.326 476 HD13 ILE 58 HD13 ILE 58 8.722 4.861 -1.236 477 H LEU 59 H LEU 59 5.384 4.798 3.234 478 HA LEU 59 HA LEU 59 2.769 3.966 2.971 479 HB2 LEU 59 HB2 LEU 59 4.497 4.050 5.435 480 HB3 LEU 59 HB3 LEU 59 2.967 3.183 5.332 481 HG LEU 59 HG LEU 59 5.336 2.592 3.567 482 HD11 LEU 59 HD11 LEU 59 6.027 0.917 5.019 483 HD12 LEU 59 HD12 LEU 59 4.510 0.933 5.919 484 HD13 LEU 59 HD13 LEU 59 5.657 2.260 6.100 485 HD21 LEU 59 HD21 LEU 59 3.327 0.541 4.165 486 HD22 LEU 59 HD22 LEU 59 4.092 0.972 2.636 487 HD23 LEU 59 HD23 LEU 59 2.725 1.913 3.235 488 H SER 60 H SER 60 4.052 6.661 4.830 489 HA SER 60 HA SER 60 1.761 7.271 6.324 490 HB2 SER 60 HB2 SER 60 4.204 8.234 6.427 491 HB3 SER 60 HB3 SER 60 3.562 9.447 5.320 492 HG SER 60 HG SER 60 2.654 10.356 6.968 493 H ARG 61 H ARG 61 2.846 8.506 3.172 494 HA ARG 61 HA ARG 61 0.572 10.168 2.780 495 HB2 ARG 61 HB2 ARG 61 2.263 9.076 0.548 496 HB3 ARG 61 HB3 ARG 61 1.451 10.632 0.651 497 HG2 ARG 61 HG2 ARG 61 3.192 10.689 2.782 498 HG3 ARG 61 HG3 ARG 61 4.106 9.853 1.526 499 HD2 ARG 61 HD2 ARG 61 2.855 11.975 0.221 500 HD3 ARG 61 HD3 ARG 61 3.412 12.647 1.754 501 HE ARG 61 HE ARG 61 5.558 12.487 0.990 502 HH11 ARG 61 HH11 ARG 61 3.520 10.433 -0.946 503 HH12 ARG 61 HH12 ARG 61 4.770 10.041 -2.079 504 HH21 ARG 61 HH21 ARG 61 7.212 11.978 -0.495 505 HH22 ARG 61 HH22 ARG 61 6.870 10.920 -1.822 506 H MET 62 H MET 62 1.310 6.832 2.075 507 HA MET 62 HA MET 62 -0.511 6.197 0.119 508 HB2 MET 62 HB2 MET 62 1.187 4.743 1.572 509 HB3 MET 62 HB3 MET 62 -0.293 4.320 2.421 510 HG2 MET 62 HG2 MET 62 -1.281 3.573 0.310 511 HG3 MET 62 HG3 MET 62 0.219 3.974 -0.524 512 HE1 MET 62 HE1 MET 62 -1.634 1.795 1.944 513 HE2 MET 62 HE2 MET 62 -0.531 0.477 2.339 514 HE3 MET 62 HE3 MET 62 -0.296 2.071 3.060 515 H ASN 63 H ASN 63 -1.120 6.020 3.633 516 HA ASN 63 HA ASN 63 -3.816 5.389 3.520 517 HB2 ASN 63 HB2 ASN 63 -2.163 5.611 5.547 518 HB3 ASN 63 HB3 ASN 63 -2.808 7.247 5.643 519 HD21 ASN 63 HD21 ASN 63 -3.085 4.401 7.024 520 HD22 ASN 63 HD22 ASN 63 -4.766 4.376 7.419 521 H LEU 64 H LEU 64 -2.289 8.594 3.612 522 HA LEU 64 HA LEU 64 -4.757 10.019 3.503 523 HB2 LEU 64 HB2 LEU 64 -2.028 11.030 2.732 524 HB3 LEU 64 HB3 LEU 64 -3.424 11.986 3.228 525 HG LEU 64 HG LEU 64 -2.389 10.021 5.188 526 HD11 LEU 64 HD11 LEU 64 -0.929 12.426 5.550 527 HD12 LEU 64 HD12 LEU 64 -0.626 11.841 3.914 528 HD13 LEU 64 HD13 LEU 64 -0.317 10.792 5.296 529 HD21 LEU 64 HD21 LEU 64 -3.205 11.524 6.743 530 HD22 LEU 64 HD22 LEU 64 -4.330 11.730 5.399 531 HD23 LEU 64 HD23 LEU 64 -3.036 12.903 5.655 532 H ASP 65 H ASP 65 -3.053 8.274 1.207 533 HA ASP 65 HA ASP 65 -3.955 9.903 -1.046 534 HB2 ASP 65 HB2 ASP 65 -1.624 8.796 -0.865 535 HB3 ASP 65 HB3 ASP 65 -2.462 7.303 -1.276 536 H ILE 66 H ILE 66 -4.088 6.460 -0.114 537 HA ILE 66 HA ILE 66 -6.004 5.664 -1.962 538 HB ILE 66 HB ILE 66 -5.634 4.558 0.825 539 HG12 ILE 66 HG12 ILE 66 -4.302 3.787 -1.781 540 HG13 ILE 66 HG13 ILE 66 -3.526 4.615 -0.437 541 HG21 ILE 66 HG21 ILE 66 -6.348 2.647 -1.201 542 HG22 ILE 66 HG22 ILE 66 -7.154 3.019 0.321 543 HG23 ILE 66 HG23 ILE 66 -7.539 3.945 -1.129 544 HD11 ILE 66 HD11 ILE 66 -4.094 2.597 0.964 545 HD12 ILE 66 HD12 ILE 66 -4.527 1.790 -0.544 546 HD13 ILE 66 HD13 ILE 66 -2.878 2.362 -0.291 547 H SER 67 H SER 67 -6.436 6.902 1.333 548 HA SER 67 HA SER 67 -9.172 6.561 1.595 549 HB2 SER 67 HB2 SER 67 -7.522 7.389 3.349 550 HB3 SER 67 HB3 SER 67 -7.692 8.985 2.621 551 HG SER 67 HG SER 67 -9.129 8.549 4.421 552 H LYS 68 H LYS 68 -7.377 9.095 -0.059 553 HA LYS 68 HA LYS 68 -9.547 10.833 -0.542 554 HB2 LYS 68 HB2 LYS 68 -6.773 10.560 -1.432 555 HB3 LYS 68 HB3 LYS 68 -7.834 11.215 -2.674 556 HG2 LYS 68 HG2 LYS 68 -8.518 13.003 -1.209 557 HG3 LYS 68 HG3 LYS 68 -7.577 12.316 0.118 558 HD2 LYS 68 HD2 LYS 68 -5.533 12.817 -0.935 559 HD3 LYS 68 HD3 LYS 68 -6.312 13.107 -2.492 560 HE2 LYS 68 HE2 LYS 68 -7.417 15.089 -1.552 561 HE3 LYS 68 HE3 LYS 68 -6.604 14.804 -0.014 562 HZ1 LYS 68 HZ1 LYS 68 -4.865 14.948 -2.326 563 HZ2 LYS 68 HZ2 LYS 68 -4.677 15.621 -0.787 564 HZ3 LYS 68 HZ3 LYS 68 -5.651 16.393 -1.935 565 H ALA 69 H ALA 69 -8.131 8.215 -2.474 566 HA ALA 69 HA ALA 69 -9.683 8.505 -4.770 567 HB1 ALA 69 HB1 ALA 69 -7.681 6.874 -4.103 568 HB2 ALA 69 HB2 ALA 69 -9.028 5.750 -3.910 569 HB3 ALA 69 HB3 ALA 69 -8.763 6.550 -5.458 570 H ILE 70 H ILE 70 -10.556 7.390 -1.639 571 HA ILE 70 HA ILE 70 -12.793 5.794 -2.390 572 HB ILE 70 HB ILE 70 -12.501 7.197 0.254 573 HG12 ILE 70 HG12 ILE 70 -11.091 4.715 -0.734 574 HG13 ILE 70 HG13 ILE 70 -10.356 6.192 -0.121 575 HG21 ILE 70 HG21 ILE 70 -13.720 5.313 1.117 576 HG22 ILE 70 HG22 ILE 70 -14.601 5.982 -0.256 577 HG23 ILE 70 HG23 ILE 70 -13.658 4.505 -0.449 578 HD11 ILE 70 HD11 ILE 70 -10.201 4.465 1.535 579 HD12 ILE 70 HD12 ILE 70 -11.325 5.705 2.094 580 HD13 ILE 70 HD13 ILE 70 -11.940 4.181 1.456 581 H ARG 71 H ARG 71 -12.795 8.899 -0.636 582 HA ARG 71 HA ARG 71 -15.481 9.490 -1.121 583 HB2 ARG 71 HB2 ARG 71 -14.848 11.838 -0.542 584 HB3 ARG 71 HB3 ARG 71 -14.304 10.639 0.623 585 HG2 ARG 71 HG2 ARG 71 -12.084 10.692 -0.675 586 HG3 ARG 71 HG3 ARG 71 -12.697 12.202 -1.355 587 HD2 ARG 71 HD2 ARG 71 -11.926 13.239 0.453 588 HD3 ARG 71 HD3 ARG 71 -13.161 12.395 1.388 589 HE ARG 71 HE ARG 71 -10.840 10.790 1.012 590 HH11 ARG 71 HH11 ARG 71 -12.144 13.418 2.884 591 HH12 ARG 71 HH12 ARG 71 -11.124 13.122 4.253 592 HH21 ARG 71 HH21 ARG 71 -9.491 10.389 2.808 593 HH22 ARG 71 HH22 ARG 71 -9.614 11.399 4.208 594 H ASN 72 H ASN 72 -12.567 10.567 -2.848 595 HA ASN 72 HA ASN 72 -13.755 12.251 -4.699 596 HB2 ASN 72 HB2 ASN 72 -11.280 10.561 -4.744 597 HB3 ASN 72 HB3 ASN 72 -11.778 11.412 -6.204 598 HD21 ASN 72 HD21 ASN 72 -11.283 11.983 -2.741 599 HD22 ASN 72 HD22 ASN 72 -10.594 13.556 -2.925 600 H ASP 73 H ASP 73 -12.584 9.029 -5.633 601 HA ASP 73 HA ASP 73 -14.108 8.789 -7.931 602 HB2 ASP 73 HB2 ASP 73 -12.182 7.292 -6.906 603 HB3 ASP 73 HB3 ASP 73 -13.542 6.336 -6.323 604 H GLY 74 H GLY 74 -14.819 7.339 -4.745 605 HA2 GLY 74 HA2 GLY 74 -17.147 7.697 -3.933 606 HA3 GLY 74 HA3 GLY 74 -17.660 7.261 -5.556 607 H VAL 75 H VAL 75 -14.997 5.464 -4.497 608 HA VAL 75 HA VAL 75 -16.658 3.091 -4.255 609 HB VAL 75 HB VAL 75 -14.656 1.810 -4.418 610 HG11 VAL 75 HG11 VAL 75 -15.528 3.169 -6.444 611 HG12 VAL 75 HG12 VAL 75 -14.044 4.102 -6.241 612 HG13 VAL 75 HG13 VAL 75 -13.961 2.369 -6.557 613 HG21 VAL 75 HG21 VAL 75 -13.184 4.398 -3.941 614 HG22 VAL 75 HG22 VAL 75 -13.242 2.994 -2.875 615 HG23 VAL 75 HG23 VAL 75 -12.415 2.888 -4.429 616 H THR 76 H THR 76 -15.339 1.462 -2.585 617 HA THR 76 HA THR 76 -14.908 2.793 -0.038 618 HB THR 76 HB THR 76 -17.395 2.373 -0.228 619 HG1 THR 76 HG1 THR 76 -17.479 1.558 1.916 620 HG21 THR 76 HG21 THR 76 -17.173 0.184 -1.402 621 HG22 THR 76 HG22 THR 76 -18.219 0.125 0.016 622 HG23 THR 76 HG23 THR 76 -16.578 -0.514 0.104 623 H LEU 77 H LEU 77 -13.806 1.528 1.477 624 HA LEU 77 HA LEU 77 -12.196 -0.554 0.359 625 HB2 LEU 77 HB2 LEU 77 -12.320 -0.006 3.288 626 HB3 LEU 77 HB3 LEU 77 -10.936 -0.439 2.288 627 HG LEU 77 HG LEU 77 -11.665 2.039 1.319 628 HD11 LEU 77 HD11 LEU 77 -13.195 2.515 3.070 629 HD12 LEU 77 HD12 LEU 77 -11.725 3.428 3.410 630 HD13 LEU 77 HD13 LEU 77 -12.068 1.945 4.300 631 HD21 LEU 77 HD21 LEU 77 -9.542 2.596 1.892 632 HD22 LEU 77 HD22 LEU 77 -9.422 0.855 2.151 633 HD23 LEU 77 HD23 LEU 77 -9.688 1.935 3.520 634 H SER 78 H SER 78 -12.302 -2.721 0.647 635 HA SER 78 HA SER 78 -14.791 -3.830 1.535 636 HB2 SER 78 HB2 SER 78 -12.230 -5.085 0.534 637 HB3 SER 78 HB3 SER 78 -13.644 -6.029 1.001 638 HG SER 78 HG SER 78 -13.963 -5.705 -1.110 639 H ASP 79 H ASP 79 -14.663 -5.891 2.954 640 HA ASP 79 HA ASP 79 -14.114 -5.175 5.559 641 HB2 ASP 79 HB2 ASP 79 -14.301 -7.907 4.290 642 HB3 ASP 79 HB3 ASP 79 -14.163 -7.669 6.029 643 H TYR 80 H TYR 80 -12.232 -7.632 3.786 644 HA TYR 80 HA TYR 80 -10.091 -7.727 5.553 645 HB2 TYR 80 HB2 TYR 80 -8.838 -8.791 3.750 646 HB3 TYR 80 HB3 TYR 80 -10.491 -9.395 3.781 647 HD1 TYR 80 HD2 TYR 80 -12.130 -8.558 2.076 648 HD2 TYR 80 HD1 TYR 80 -7.968 -7.706 1.834 649 HE1 TYR 80 HE2 TYR 80 -12.393 -7.976 -0.299 650 HE2 TYR 80 HE1 TYR 80 -8.220 -7.120 -0.541 651 HH TYR 80 HH TYR 80 -10.725 -7.966 -2.388 652 H GLN 81 H GLN 81 -10.718 -5.552 2.872 653 HA GLN 81 HA GLN 81 -8.197 -4.409 2.575 654 HB2 GLN 81 HB2 GLN 81 -10.971 -3.625 1.946 655 HB3 GLN 81 HB3 GLN 81 -9.830 -2.294 2.084 656 HG2 GLN 81 HG2 GLN 81 -8.382 -3.862 0.519 657 HG3 GLN 81 HG3 GLN 81 -9.977 -4.472 0.082 658 HE21 GLN 81 HE21 GLN 81 -9.011 -3.523 -1.997 659 HE22 GLN 81 HE22 GLN 81 -9.454 -1.891 -2.348 660 H SER 82 H SER 82 -10.912 -2.886 4.317 661 HA SER 82 HA SER 82 -9.479 -0.910 5.593 662 HB2 SER 82 HB2 SER 82 -12.035 -2.326 6.190 663 HB3 SER 82 HB3 SER 82 -11.348 -1.301 7.450 664 HG SER 82 HG SER 82 -12.386 0.189 6.360 665 H LYS 83 H LYS 83 -9.854 -4.281 6.486 666 HA LYS 83 HA LYS 83 -8.780 -4.095 9.095 667 HB2 LYS 83 HB2 LYS 83 -9.335 -6.282 7.161 668 HB3 LYS 83 HB3 LYS 83 -8.197 -6.630 8.456 669 HG2 LYS 83 HG2 LYS 83 -9.799 -6.363 10.110 670 HG3 LYS 83 HG3 LYS 83 -10.864 -5.421 9.064 671 HD2 LYS 83 HD2 LYS 83 -11.841 -7.582 9.326 672 HD3 LYS 83 HD3 LYS 83 -11.194 -7.487 7.686 673 HE2 LYS 83 HE2 LYS 83 -9.150 -8.658 8.498 674 HE3 LYS 83 HE3 LYS 83 -9.941 -8.861 10.061 675 HZ1 LYS 83 HZ1 LYS 83 -11.803 -9.910 8.590 676 HZ2 LYS 83 HZ2 LYS 83 -10.456 -10.826 9.047 677 HZ3 LYS 83 HZ3 LYS 83 -10.535 -10.156 7.497 678 H LYS 84 H LYS 84 -7.291 -5.136 6.028 679 HA LYS 84 HA LYS 84 -4.705 -5.521 6.999 680 HB2 LYS 84 HB2 LYS 84 -4.083 -5.812 4.814 681 HB3 LYS 84 HB3 LYS 84 -5.826 -5.988 4.644 682 HG2 LYS 84 HG2 LYS 84 -5.508 -4.511 2.974 683 HG3 LYS 84 HG3 LYS 84 -5.619 -3.342 4.292 684 HD2 LYS 84 HD2 LYS 84 -3.033 -3.762 4.461 685 HD3 LYS 84 HD3 LYS 84 -3.223 -4.296 2.788 686 HE2 LYS 84 HE2 LYS 84 -4.636 -1.972 2.777 687 HE3 LYS 84 HE3 LYS 84 -3.368 -1.600 3.945 688 HZ1 LYS 84 HZ1 LYS 84 -3.005 -1.210 1.403 689 HZ2 LYS 84 HZ2 LYS 84 -2.612 -2.855 1.404 690 HZ3 LYS 84 HZ3 LYS 84 -1.740 -1.777 2.374 691 H LEU 85 H LEU 85 -6.446 -2.621 6.412 692 HA LEU 85 HA LEU 85 -4.369 -0.823 5.885 693 HB2 LEU 85 HB2 LEU 85 -6.947 -0.510 5.888 694 HB3 LEU 85 HB3 LEU 85 -6.719 -0.078 7.582 695 HG LEU 85 HG LEU 85 -4.958 1.602 6.558 696 HD11 LEU 85 HD11 LEU 85 -6.709 0.842 4.263 697 HD12 LEU 85 HD12 LEU 85 -4.976 1.168 4.297 698 HD13 LEU 85 HD13 LEU 85 -6.126 2.501 4.412 699 HD21 LEU 85 HD21 LEU 85 -6.831 2.294 7.891 700 HD22 LEU 85 HD22 LEU 85 -7.950 1.981 6.563 701 HD23 LEU 85 HD23 LEU 85 -6.775 3.292 6.438 702 H LYS 86 H LYS 86 -5.438 -2.305 8.855 703 HA LYS 86 HA LYS 86 -4.105 -0.542 10.640 704 HB2 LYS 86 HB2 LYS 86 -4.645 -2.087 12.342 705 HB3 LYS 86 HB3 LYS 86 -5.975 -2.179 11.194 706 HG2 LYS 86 HG2 LYS 86 -4.473 -4.130 10.202 707 HG3 LYS 86 HG3 LYS 86 -3.909 -4.187 11.874 708 HD2 LYS 86 HD2 LYS 86 -6.827 -4.204 11.142 709 HD3 LYS 86 HD3 LYS 86 -5.874 -5.683 11.291 710 HE2 LYS 86 HE2 LYS 86 -5.266 -4.939 13.609 711 HE3 LYS 86 HE3 LYS 86 -6.439 -3.635 13.429 712 HZ1 LYS 86 HZ1 LYS 86 -6.910 -6.266 14.217 713 HZ2 LYS 86 HZ2 LYS 86 -7.659 -6.060 12.715 714 HZ3 LYS 86 HZ3 LYS 86 -8.041 -5.028 14.000 715 H GLU 87 H GLU 87 -2.933 -2.784 8.442 716 HA GLU 87 HA GLU 87 -0.730 -3.852 9.871 717 HB2 GLU 87 HB2 GLU 87 -1.181 -3.469 6.908 718 HB3 GLU 87 HB3 GLU 87 0.180 -4.350 7.589 719 HG2 GLU 87 HG2 GLU 87 -2.374 -5.266 8.624 720 HG3 GLU 87 HG3 GLU 87 -2.254 -5.409 6.872 721 H LEU 88 H LEU 88 -0.341 -1.752 7.047 722 HA LEU 88 HA LEU 88 2.136 -0.730 7.919 723 HB2 LEU 88 HB2 LEU 88 1.632 1.039 6.112 724 HB3 LEU 88 HB3 LEU 88 1.847 -0.643 5.632 725 HG LEU 88 HG LEU 88 -0.064 0.757 4.582 726 HD11 LEU 88 HD11 LEU 88 -1.463 -1.586 5.291 727 HD12 LEU 88 HD12 LEU 88 0.248 -2.005 5.216 728 HD13 LEU 88 HD13 LEU 88 -0.541 -1.267 3.822 729 HD21 LEU 88 HD21 LEU 88 -1.474 -0.142 7.083 730 HD22 LEU 88 HD22 LEU 88 -2.112 0.843 5.767 731 HD23 LEU 88 HD23 LEU 88 -0.884 1.504 6.847 732 H THR 89 H THR 89 -0.972 -0.025 8.946 733 HA THR 89 HA THR 89 -0.674 2.772 9.465 734 HB THR 89 HB THR 89 -2.666 0.688 10.275 735 HG1 THR 89 HG1 THR 89 -4.044 2.137 9.184 736 HG21 THR 89 HG21 THR 89 -2.312 3.404 11.524 737 HG22 THR 89 HG22 THR 89 -2.485 1.843 12.327 738 HG23 THR 89 HG23 THR 89 -3.865 2.569 11.504 739 H SER 90 H SER 90 -0.536 -0.142 11.507 740 HA SER 90 HA SER 90 0.251 1.332 13.836 741 HB2 SER 90 HB2 SER 90 -0.865 -0.613 14.421 742 HB3 SER 90 HB3 SER 90 -0.086 -1.565 13.157 743 HG SER 90 HG SER 90 0.614 -1.890 15.437 744 H ILE 91 H ILE 91 1.888 -0.378 11.269 745 HA ILE 91 HA ILE 91 4.434 -0.519 12.543 746 HB ILE 91 HB ILE 91 3.769 -0.623 9.599 747 HG12 ILE 91 HG12 ILE 91 4.326 -2.934 11.458 748 HG13 ILE 91 HG13 ILE 91 2.697 -2.356 11.125 749 HG21 ILE 91 HG21 ILE 91 5.948 -1.781 9.406 750 HG22 ILE 91 HG22 ILE 91 6.098 -0.104 9.928 751 HG23 ILE 91 HG23 ILE 91 6.260 -1.411 11.102 752 HD11 ILE 91 HD11 ILE 91 2.759 -3.918 9.521 753 HD12 ILE 91 HD12 ILE 91 3.629 -2.679 8.616 754 HD13 ILE 91 HD13 ILE 91 4.521 -3.941 9.464 755 H SER 92 H SER 92 2.974 1.708 10.203 756 HA SER 92 HA SER 92 5.293 3.337 9.932 757 HB2 SER 92 HB2 SER 92 3.503 3.240 8.221 758 HB3 SER 92 HB3 SER 92 2.404 4.034 9.349 759 HG SER 92 HG SER 92 3.689 5.334 7.704 760 H ASN 93 H ASN 93 5.140 5.757 10.437 761 HA ASN 93 HA ASN 93 4.686 6.006 13.286 762 HB2 ASN 93 HB2 ASN 93 6.652 6.964 11.755 763 HB3 ASN 93 HB3 ASN 93 5.555 8.337 11.646 764 HD21 ASN 93 HD21 ASN 93 6.572 6.087 14.199 765 HD22 ASN 93 HD22 ASN 93 6.956 7.311 15.358 766 H ILE 94 H ILE 94 2.269 5.635 12.312 767 HA ILE 94 HA ILE 94 0.985 8.122 11.597 768 HB ILE 94 HB ILE 94 -0.240 5.447 12.278 769 HG12 ILE 94 HG12 ILE 94 1.227 5.391 10.288 770 HG13 ILE 94 HG13 ILE 94 -0.464 5.142 9.869 771 HG21 ILE 94 HG21 ILE 94 -1.962 6.856 10.626 772 HG22 ILE 94 HG22 ILE 94 -2.153 6.581 12.357 773 HG23 ILE 94 HG23 ILE 94 -1.384 8.059 11.778 774 HD11 ILE 94 HD11 ILE 94 -0.602 7.513 9.204 775 HD12 ILE 94 HD12 ILE 94 1.124 7.672 9.528 776 HD13 ILE 94 HD13 ILE 94 0.562 6.588 8.256 777 H ARG 95 H ARG 95 1.430 6.160 14.456 778 HA ARG 95 HA ARG 95 -0.564 7.244 16.089 779 HB2 ARG 95 HB2 ARG 95 2.164 6.175 16.832 780 HB3 ARG 95 HB3 ARG 95 0.877 6.509 17.983 781 HG2 ARG 95 HG2 ARG 95 -0.361 4.700 17.340 782 HG3 ARG 95 HG3 ARG 95 0.299 4.692 15.704 783 HD2 ARG 95 HD2 ARG 95 1.719 3.099 16.317 784 HD3 ARG 95 HD3 ARG 95 2.458 4.228 17.452 785 HE ARG 95 HE ARG 95 0.653 2.070 18.072 786 HH11 ARG 95 HH11 ARG 95 1.992 5.101 19.137 787 HH12 ARG 95 HH12 ARG 95 1.689 4.796 20.815 788 HH21 ARG 95 HH21 ARG 95 0.248 1.656 20.277 789 HH22 ARG 95 HH22 ARG 95 0.697 2.834 21.463 790 H TYR 96 H TYR 96 2.471 8.538 15.041 791 HA TYR 96 HA TYR 96 2.252 10.753 16.957 792 HB2 TYR 96 HB2 TYR 96 4.537 9.695 15.308 793 HB3 TYR 96 HB3 TYR 96 4.594 11.297 16.035 794 HD1 TYR 96 HD1 TYR 96 4.049 11.362 18.614 795 HD2 TYR 96 HD2 TYR 96 5.357 7.900 16.514 796 HE1 TYR 96 HE1 TYR 96 4.826 10.380 20.731 797 HE2 TYR 96 HE2 TYR 96 6.137 6.907 18.624 798 HH TYR 96 HH TYR 96 6.773 8.467 21.265 799 H GLY 97 H GLY 97 3.388 12.825 15.795 800 HA2 GLY 97 HA2 GLY 97 3.315 14.364 14.044 801 HA3 GLY 97 HA3 GLY 97 2.406 13.201 13.090 802 H TYR 98 H TYR 98 1.304 13.829 16.288 803 HA TYR 98 HA TYR 98 -0.984 15.295 15.171 804 HB2 TYR 98 HB2 TYR 98 -0.658 13.432 17.488 805 HB3 TYR 98 HB3 TYR 98 -1.936 14.642 17.542 806 HD1 TYR 98 HD2 TYR 98 -0.565 12.188 15.068 807 HD2 TYR 98 HD1 TYR 98 -4.011 13.926 16.857 808 HE1 TYR 98 HE2 TYR 98 -2.001 10.723 13.711 809 HE2 TYR 98 HE1 TYR 98 -5.457 12.465 15.507 810 HH TYR 98 HH TYR 98 -4.609 9.799 14.136 Start of MODEL 14 1 H1 MET 1 H MET 1 5.936 -15.792 -5.893 2 HA MET 1 HA MET 1 4.427 -18.204 -6.179 3 HB2 MET 1 HB2 MET 1 3.746 -16.130 -4.870 4 HB3 MET 1 HB3 MET 1 3.362 -15.393 -6.419 5 HG2 MET 1 HG2 MET 1 1.316 -16.189 -5.824 6 HG3 MET 1 HG3 MET 1 1.931 -17.559 -6.745 7 HE1 MET 1 HE1 MET 1 -0.324 -17.091 -4.781 8 HE2 MET 1 HE2 MET 1 -0.415 -18.579 -3.839 9 HE3 MET 1 HE3 MET 1 0.112 -17.081 -3.072 10 H GLY 2 H GLY 2 5.070 -15.403 -8.263 11 HA2 GLY 2 HA2 GLY 2 4.889 -16.967 -10.634 12 HA3 GLY 2 HA3 GLY 2 3.426 -16.020 -10.403 13 H LYS 3 H LYS 3 3.479 -14.326 -11.713 14 HA LYS 3 HA LYS 3 5.970 -13.116 -12.518 15 HB2 LYS 3 HB2 LYS 3 3.126 -12.283 -13.120 16 HB3 LYS 3 HB3 LYS 3 4.570 -11.667 -13.914 17 HG2 LYS 3 HG2 LYS 3 3.744 -14.559 -13.967 18 HG3 LYS 3 HG3 LYS 3 3.299 -13.383 -15.207 19 HD2 LYS 3 HD2 LYS 3 6.171 -13.634 -14.471 20 HD3 LYS 3 HD3 LYS 3 5.445 -14.913 -15.447 21 HE2 LYS 3 HE2 LYS 3 4.611 -13.088 -16.984 22 HE3 LYS 3 HE3 LYS 3 5.645 -11.978 -16.087 23 HZ1 LYS 3 HZ1 LYS 3 6.789 -12.755 -18.032 24 HZ2 LYS 3 HZ2 LYS 3 6.526 -14.372 -17.607 25 HZ3 LYS 3 HZ3 LYS 3 7.545 -13.404 -16.664 26 H LEU 4 H LEU 4 6.903 -12.094 -10.792 27 HA LEU 4 HA LEU 4 7.264 -10.529 -9.178 28 HB2 LEU 4 HB2 LEU 4 6.653 -9.216 -11.373 29 HB3 LEU 4 HB3 LEU 4 5.227 -8.758 -10.443 30 HG LEU 4 HG LEU 4 6.726 -7.815 -8.704 31 HD11 LEU 4 HD11 LEU 4 8.851 -8.462 -8.701 32 HD12 LEU 4 HD12 LEU 4 9.093 -7.414 -10.099 33 HD13 LEU 4 HD13 LEU 4 8.723 -9.123 -10.331 34 HD21 LEU 4 HD21 LEU 4 6.571 -6.823 -11.493 35 HD22 LEU 4 HD22 LEU 4 7.680 -5.998 -10.397 36 HD23 LEU 4 HD23 LEU 4 5.964 -6.110 -9.999 37 H LYS 5 H LYS 5 5.473 -12.433 -8.369 38 HA LYS 5 HA LYS 5 3.441 -10.895 -6.888 39 HB2 LYS 5 HB2 LYS 5 3.468 -13.745 -7.861 40 HB3 LYS 5 HB3 LYS 5 2.374 -13.216 -6.589 41 HG2 LYS 5 HG2 LYS 5 1.327 -11.640 -8.068 42 HG3 LYS 5 HG3 LYS 5 2.505 -11.988 -9.335 43 HD2 LYS 5 HD2 LYS 5 0.545 -13.196 -9.895 44 HD3 LYS 5 HD3 LYS 5 1.691 -14.379 -9.262 45 HE2 LYS 5 HE2 LYS 5 0.530 -13.970 -7.000 46 HE3 LYS 5 HE3 LYS 5 -0.757 -13.236 -7.956 47 HZ1 LYS 5 HZ1 LYS 5 -0.461 -15.503 -9.273 48 HZ2 LYS 5 HZ2 LYS 5 -1.501 -15.355 -7.947 49 HZ3 LYS 5 HZ3 LYS 5 0.036 -16.033 -7.744 50 H TRP 6 H TRP 6 4.148 -10.464 -4.904 51 HA TRP 6 HA TRP 6 6.050 -12.165 -3.565 52 HB2 TRP 6 HB2 TRP 6 4.682 -9.579 -2.871 53 HB3 TRP 6 HB3 TRP 6 5.595 -10.470 -1.656 54 HD1 TRP 6 HD1 TRP 6 6.028 -8.131 -4.563 55 HE1 TRP 6 HE1 TRP 6 8.530 -7.630 -4.904 56 HE3 TRP 6 HE3 TRP 6 7.998 -11.658 -1.429 57 HZ2 TRP 6 HZ2 TRP 6 11.009 -8.600 -3.969 58 HZ3 TRP 6 HZ3 TRP 6 10.444 -11.806 -1.210 59 HH2 TRP 6 HH2 TRP 6 11.917 -10.308 -2.455 60 H PHE 7 H PHE 7 5.625 -13.751 -2.173 61 HA PHE 7 HA PHE 7 2.876 -14.406 -1.572 62 HB2 PHE 7 HB2 PHE 7 3.867 -16.417 -0.483 63 HB3 PHE 7 HB3 PHE 7 4.364 -16.217 -2.160 64 HD1 PHE 7 HD2 PHE 7 5.460 -15.648 1.336 65 HD2 PHE 7 HD1 PHE 7 6.622 -16.127 -2.731 66 HE1 PHE 7 HE2 PHE 7 7.819 -15.764 2.026 67 HE2 PHE 7 HE1 PHE 7 8.982 -16.245 -2.046 68 HZ PHE 7 HZ PHE 7 9.583 -16.062 0.335 69 H SER 8 H SER 8 2.304 -15.095 0.692 70 HA SER 8 HA SER 8 2.589 -12.900 2.444 71 HB2 SER 8 HB2 SER 8 1.595 -15.702 3.019 72 HB3 SER 8 HB3 SER 8 1.374 -14.306 4.073 73 HG SER 8 HG SER 8 -0.351 -14.961 2.440 74 H GLY 9 H GLY 9 4.501 -12.395 3.316 75 HA2 GLY 9 HA2 GLY 9 5.840 -14.449 4.928 76 HA3 GLY 9 HA3 GLY 9 6.785 -13.589 3.722 77 H GLY 10 H GLY 10 7.988 -12.038 4.576 78 HA2 GLY 10 HA2 GLY 10 7.687 -9.755 5.629 79 HA3 GLY 10 HA3 GLY 10 6.954 -10.636 6.960 80 H LYS 11 H LYS 11 9.959 -10.545 5.054 81 HA LYS 11 HA LYS 11 11.481 -11.694 7.216 82 HB2 LYS 11 HB2 LYS 11 13.407 -11.407 5.729 83 HB3 LYS 11 HB3 LYS 11 12.071 -12.189 4.894 84 HG2 LYS 11 HG2 LYS 11 12.048 -10.614 3.340 85 HG3 LYS 11 HG3 LYS 11 11.906 -9.345 4.558 86 HD2 LYS 11 HD2 LYS 11 13.921 -8.728 3.735 87 HD3 LYS 11 HD3 LYS 11 14.507 -9.970 4.844 88 HE2 LYS 11 HE2 LYS 11 13.702 -11.077 2.287 89 HE3 LYS 11 HE3 LYS 11 14.950 -9.845 2.109 90 HZ1 LYS 11 HZ1 LYS 11 15.578 -11.553 4.269 91 HZ2 LYS 11 HZ2 LYS 11 16.459 -11.261 2.856 92 HZ3 LYS 11 HZ3 LYS 11 15.287 -12.480 2.884 93 H GLU 12 H GLU 12 10.214 -8.715 6.774 94 HA GLU 12 HA GLU 12 11.941 -7.527 8.730 95 HB2 GLU 12 HB2 GLU 12 12.138 -6.748 5.858 96 HB3 GLU 12 HB3 GLU 12 12.236 -5.476 7.068 97 HG2 GLU 12 HG2 GLU 12 14.024 -6.984 8.165 98 HG3 GLU 12 HG3 GLU 12 14.087 -7.771 6.589 99 H ARG 13 H ARG 13 11.181 -5.380 9.400 100 HA ARG 13 HA ARG 13 8.335 -5.309 9.531 101 HB2 ARG 13 HB2 ARG 13 10.549 -3.581 10.572 102 HB3 ARG 13 HB3 ARG 13 8.892 -2.994 10.628 103 HG2 ARG 13 HG2 ARG 13 9.089 -3.962 12.691 104 HG3 ARG 13 HG3 ARG 13 8.424 -5.303 11.757 105 HD2 ARG 13 HD2 ARG 13 10.177 -6.280 12.936 106 HD3 ARG 13 HD3 ARG 13 10.876 -5.959 11.350 107 HE ARG 13 HE ARG 13 11.411 -3.747 12.939 108 HH11 ARG 13 HH11 ARG 13 12.188 -7.140 12.875 109 HH12 ARG 13 HH12 ARG 13 13.719 -6.938 13.659 110 HH21 ARG 13 HH21 ARG 13 13.426 -3.467 13.971 111 HH22 ARG 13 HH22 ARG 13 14.422 -4.849 14.284 112 H SER 14 H SER 14 10.780 -3.364 7.867 113 HA SER 14 HA SER 14 8.929 -1.493 6.782 114 HB2 SER 14 HB2 SER 14 11.453 -1.949 5.311 115 HB3 SER 14 HB3 SER 14 10.761 -0.450 5.931 116 HG SER 14 HG SER 14 12.700 -1.917 6.988 117 H ASN 15 H ASN 15 10.514 -4.394 5.500 118 HA ASN 15 HA ASN 15 9.368 -4.206 2.910 119 HB2 ASN 15 HB2 ASN 15 11.337 -5.515 3.107 120 HB3 ASN 15 HB3 ASN 15 10.664 -6.464 4.430 121 HD21 ASN 15 HD21 ASN 15 10.092 -8.427 3.880 122 HD22 ASN 15 HD22 ASN 15 9.531 -8.934 2.327 123 H GLN 16 H GLN 16 8.117 -5.158 5.926 124 HA GLN 16 HA GLN 16 6.265 -7.126 5.212 125 HB2 GLN 16 HB2 GLN 16 6.838 -6.498 7.542 126 HB3 GLN 16 HB3 GLN 16 5.951 -4.994 7.332 127 HG2 GLN 16 HG2 GLN 16 3.908 -6.335 6.880 128 HG3 GLN 16 HG3 GLN 16 4.830 -7.784 7.281 129 HE21 GLN 16 HE21 GLN 16 2.765 -7.606 8.766 130 HE22 GLN 16 HE22 GLN 16 3.087 -6.967 10.339 131 H ALA 17 H ALA 17 5.832 -3.598 5.436 132 HA ALA 17 HA ALA 17 3.177 -3.437 4.680 133 HB1 ALA 17 HB1 ALA 17 4.900 -1.334 3.564 134 HB2 ALA 17 HB2 ALA 17 3.505 -1.213 4.637 135 HB3 ALA 17 HB3 ALA 17 5.089 -1.624 5.294 136 H GLU 18 H GLU 18 6.056 -3.416 2.591 137 HA GLU 18 HA GLU 18 4.847 -3.043 0.140 138 HB2 GLU 18 HB2 GLU 18 7.222 -3.036 0.251 139 HB3 GLU 18 HB3 GLU 18 7.266 -4.665 0.914 140 HG2 GLU 18 HG2 GLU 18 5.945 -4.586 -1.658 141 HG3 GLU 18 HG3 GLU 18 7.584 -3.942 -1.735 142 H ASN 19 H ASN 19 5.317 -6.073 1.919 143 HA ASN 19 HA ASN 19 4.242 -7.772 -0.063 144 HB2 ASN 19 HB2 ASN 19 4.594 -8.074 2.918 145 HB3 ASN 19 HB3 ASN 19 3.910 -9.353 1.919 146 HD21 ASN 19 HD21 ASN 19 6.467 -9.019 3.490 147 HD22 ASN 19 HD22 ASN 19 7.707 -9.476 2.378 148 H ILE 20 H ILE 20 2.794 -6.027 2.636 149 HA ILE 20 HA ILE 20 0.257 -7.203 2.597 150 HB ILE 20 HB ILE 20 1.006 -4.367 3.315 151 HG12 ILE 20 HG12 ILE 20 0.460 -6.663 5.190 152 HG13 ILE 20 HG13 ILE 20 2.075 -6.332 4.572 153 HG21 ILE 20 HG21 ILE 20 -1.368 -4.532 2.856 154 HG22 ILE 20 HG22 ILE 20 -1.499 -5.929 3.923 155 HG23 ILE 20 HG23 ILE 20 -1.097 -4.346 4.589 156 HD11 ILE 20 HD11 ILE 20 0.932 -5.270 6.842 157 HD12 ILE 20 HD12 ILE 20 2.384 -4.687 6.027 158 HD13 ILE 20 HD13 ILE 20 0.818 -3.963 5.663 159 H ILE 21 H ILE 21 1.349 -4.198 1.018 160 HA ILE 21 HA ILE 21 -0.976 -3.505 -0.284 161 HB ILE 21 HB ILE 21 1.831 -3.220 -1.358 162 HG12 ILE 21 HG12 ILE 21 0.177 -1.212 0.177 163 HG13 ILE 21 HG13 ILE 21 1.379 -2.254 0.929 164 HG21 ILE 21 HG21 ILE 21 0.676 -2.620 -3.204 165 HG22 ILE 21 HG22 ILE 21 -0.800 -2.282 -2.303 166 HG23 ILE 21 HG23 ILE 21 0.506 -1.098 -2.330 167 HD11 ILE 21 HD11 ILE 21 1.814 -0.064 -1.073 168 HD12 ILE 21 HD12 ILE 21 2.432 -0.187 0.574 169 HD13 ILE 21 HD13 ILE 21 3.050 -1.259 -0.682 170 H THR 22 H THR 22 1.534 -5.765 -1.352 171 HA THR 22 HA THR 22 0.587 -6.307 -3.909 172 HB THR 22 HB THR 22 1.760 -8.475 -2.189 173 HG1 THR 22 HG1 THR 22 3.769 -7.550 -2.440 174 HG21 THR 22 HG21 THR 22 2.064 -9.508 -4.139 175 HG22 THR 22 HG22 THR 22 2.923 -8.111 -4.790 176 HG23 THR 22 HG23 THR 22 1.166 -8.208 -4.924 177 H ASP 23 H ASP 23 -0.575 -7.385 -0.809 178 HA ASP 23 HA ASP 23 -2.070 -9.617 -1.602 179 HB2 ASP 23 HB2 ASP 23 -1.563 -8.898 0.765 180 HB3 ASP 23 HB3 ASP 23 -2.831 -7.687 0.593 181 H LEU 24 H LEU 24 -3.411 -6.407 -0.813 182 HA LEU 24 HA LEU 24 -5.931 -6.756 -1.837 183 HB2 LEU 24 HB2 LEU 24 -4.248 -4.256 -1.865 184 HB3 LEU 24 HB3 LEU 24 -5.984 -4.296 -2.158 185 HG LEU 24 HG LEU 24 -4.538 -4.897 0.414 186 HD11 LEU 24 HD11 LEU 24 -6.491 -2.775 -0.446 187 HD12 LEU 24 HD12 LEU 24 -4.819 -2.560 0.068 188 HD13 LEU 24 HD13 LEU 24 -6.040 -3.071 1.232 189 HD21 LEU 24 HD21 LEU 24 -6.273 -6.529 0.245 190 HD22 LEU 24 HD22 LEU 24 -7.430 -5.322 -0.318 191 HD23 LEU 24 HD23 LEU 24 -6.830 -5.263 1.339 192 H LEU 25 H LEU 25 -3.088 -5.515 -3.579 193 HA LEU 25 HA LEU 25 -4.284 -5.051 -6.042 194 HB2 LEU 25 HB2 LEU 25 -1.486 -6.013 -5.462 195 HB3 LEU 25 HB3 LEU 25 -2.030 -5.347 -7.001 196 HG LEU 25 HG LEU 25 -1.710 -3.911 -4.373 197 HD11 LEU 25 HD11 LEU 25 -0.362 -3.811 -7.046 198 HD12 LEU 25 HD12 LEU 25 0.353 -3.977 -5.443 199 HD13 LEU 25 HD13 LEU 25 -0.324 -2.430 -5.950 200 HD21 LEU 25 HD21 LEU 25 -2.399 -1.936 -6.003 201 HD22 LEU 25 HD22 LEU 25 -3.593 -2.836 -5.066 202 HD23 LEU 25 HD23 LEU 25 -3.328 -3.227 -6.765 203 H ASP 26 H ASP 26 -2.791 -8.024 -4.806 204 HA ASP 26 HA ASP 26 -3.128 -9.569 -7.128 205 HB2 ASP 26 HB2 ASP 26 -1.694 -10.124 -5.112 206 HB3 ASP 26 HB3 ASP 26 -3.173 -10.631 -4.301 207 H ASP 27 H ASP 27 -5.152 -9.328 -4.211 208 HA ASP 27 HA ASP 27 -7.157 -11.100 -5.053 209 HB2 ASP 27 HB2 ASP 27 -7.114 -8.826 -3.082 210 HB3 ASP 27 HB3 ASP 27 -8.596 -9.723 -3.405 211 H LEU 28 H LEU 28 -6.609 -7.715 -5.729 212 HA LEU 28 HA LEU 28 -9.187 -7.152 -6.781 213 HB2 LEU 28 HB2 LEU 28 -6.510 -5.830 -6.940 214 HB3 LEU 28 HB3 LEU 28 -7.838 -5.264 -7.951 215 HG LEU 28 HG LEU 28 -7.826 -5.347 -4.934 216 HD11 LEU 28 HD11 LEU 28 -7.780 -2.955 -6.760 217 HD12 LEU 28 HD12 LEU 28 -6.340 -3.642 -6.010 218 HD13 LEU 28 HD13 LEU 28 -7.628 -2.978 -5.004 219 HD21 LEU 28 HD21 LEU 28 -9.869 -3.725 -5.649 220 HD22 LEU 28 HD22 LEU 28 -10.050 -5.433 -5.251 221 HD23 LEU 28 HD23 LEU 28 -9.937 -4.928 -6.938 222 H LYS 29 H LYS 29 -6.453 -8.809 -8.007 223 HA LYS 29 HA LYS 29 -6.510 -8.396 -10.715 224 HB2 LYS 29 HB2 LYS 29 -4.874 -9.854 -9.685 225 HB3 LYS 29 HB3 LYS 29 -6.129 -11.000 -9.229 226 HG2 LYS 29 HG2 LYS 29 -6.556 -11.489 -11.574 227 HG3 LYS 29 HG3 LYS 29 -5.328 -10.313 -12.051 228 HD2 LYS 29 HD2 LYS 29 -4.341 -12.264 -10.127 229 HD3 LYS 29 HD3 LYS 29 -4.921 -13.007 -11.619 230 HE2 LYS 29 HE2 LYS 29 -3.416 -11.765 -12.941 231 HE3 LYS 29 HE3 LYS 29 -3.052 -10.653 -11.622 232 HZ1 LYS 29 HZ1 LYS 29 -2.057 -13.367 -12.094 233 HZ2 LYS 29 HZ2 LYS 29 -2.237 -12.856 -10.491 234 HZ3 LYS 29 HZ3 LYS 29 -1.232 -11.995 -11.544 235 H THR 30 H THR 30 -8.297 -11.025 -9.090 236 HA THR 30 HA THR 30 -10.000 -11.359 -11.402 237 HB THR 30 HB THR 30 -11.158 -13.049 -9.814 238 HG1 THR 30 HG1 THR 30 -10.393 -12.752 -7.835 239 HG21 THR 30 HG21 THR 30 -8.335 -13.857 -10.233 240 HG22 THR 30 HG22 THR 30 -9.242 -13.336 -11.652 241 HG23 THR 30 HG23 THR 30 -9.827 -14.684 -10.678 242 H ASP 31 H ASP 31 -10.139 -9.815 -8.292 243 HA ASP 31 HA ASP 31 -12.977 -9.564 -8.159 244 HB2 ASP 31 HB2 ASP 31 -11.174 -9.338 -6.275 245 HB3 ASP 31 HB3 ASP 31 -11.112 -7.656 -6.791 246 H LEU 32 H LEU 32 -14.101 -7.447 -8.181 247 HA LEU 32 HA LEU 32 -12.976 -5.631 -10.208 248 HB2 LEU 32 HB2 LEU 32 -15.713 -6.826 -10.008 249 HB3 LEU 32 HB3 LEU 32 -15.470 -5.278 -10.814 250 HG LEU 32 HG LEU 32 -15.555 -7.057 -12.444 251 HD11 LEU 32 HD11 LEU 32 -13.870 -5.097 -12.568 252 HD12 LEU 32 HD12 LEU 32 -13.709 -6.443 -13.696 253 HD13 LEU 32 HD13 LEU 32 -12.655 -6.346 -12.286 254 HD21 LEU 32 HD21 LEU 32 -13.046 -8.304 -11.472 255 HD22 LEU 32 HD22 LEU 32 -14.404 -9.015 -12.345 256 HD23 LEU 32 HD23 LEU 32 -14.537 -8.694 -10.615 257 H ASP 33 H ASP 33 -12.711 -5.260 -7.444 258 HA ASP 33 HA ASP 33 -14.749 -3.434 -6.536 259 HB2 ASP 33 HB2 ASP 33 -13.523 -4.890 -4.958 260 HB3 ASP 33 HB3 ASP 33 -12.030 -4.041 -5.355 261 H ASN 34 H ASN 34 -11.226 -2.982 -6.862 262 HA ASN 34 HA ASN 34 -11.733 -0.175 -7.556 263 HB2 ASN 34 HB2 ASN 34 -9.257 -1.567 -6.521 264 HB3 ASN 34 HB3 ASN 34 -9.289 0.119 -7.026 265 HD21 ASN 34 HD21 ASN 34 -8.589 0.523 -4.831 266 HD22 ASN 34 HD22 ASN 34 -9.768 0.622 -3.573 267 H GLU 35 H GLU 35 -11.036 0.712 -9.444 268 HA GLU 35 HA GLU 35 -9.836 -1.143 -11.393 269 HB2 GLU 35 HB2 GLU 35 -12.055 0.767 -11.569 270 HB3 GLU 35 HB3 GLU 35 -10.903 0.898 -12.890 271 HG2 GLU 35 HG2 GLU 35 -11.813 -1.821 -12.181 272 HG3 GLU 35 HG3 GLU 35 -12.991 -0.752 -12.940 273 H SER 36 H SER 36 -10.176 2.396 -11.137 274 HA SER 36 HA SER 36 -7.502 2.743 -12.195 275 HB2 SER 36 HB2 SER 36 -9.442 4.866 -11.256 276 HB3 SER 36 HB3 SER 36 -8.029 5.101 -12.284 277 HG SER 36 HG SER 36 -10.186 4.926 -13.330 278 H LEU 37 H LEU 37 -9.099 2.798 -9.128 279 HA LEU 37 HA LEU 37 -7.366 4.404 -7.643 280 HB2 LEU 37 HB2 LEU 37 -9.610 3.041 -7.086 281 HB3 LEU 37 HB3 LEU 37 -8.426 1.972 -6.338 282 HG LEU 37 HG LEU 37 -9.244 3.412 -4.641 283 HD11 LEU 37 HD11 LEU 37 -6.696 3.052 -4.954 284 HD12 LEU 37 HD12 LEU 37 -7.266 4.245 -3.787 285 HD13 LEU 37 HD13 LEU 37 -6.681 4.767 -5.367 286 HD21 LEU 37 HD21 LEU 37 -8.386 5.932 -5.913 287 HD22 LEU 37 HD22 LEU 37 -9.765 5.597 -4.865 288 HD23 LEU 37 HD23 LEU 37 -9.836 5.177 -6.577 289 H LYS 38 H LYS 38 -7.073 1.081 -8.703 290 HA LYS 38 HA LYS 38 -5.073 0.125 -7.064 291 HB2 LYS 38 HB2 LYS 38 -5.686 -0.356 -9.969 292 HB3 LYS 38 HB3 LYS 38 -4.334 -1.162 -9.183 293 HG2 LYS 38 HG2 LYS 38 -5.668 -2.544 -8.002 294 HG3 LYS 38 HG3 LYS 38 -6.925 -1.324 -7.786 295 HD2 LYS 38 HD2 LYS 38 -7.711 -3.158 -9.195 296 HD3 LYS 38 HD3 LYS 38 -7.638 -1.647 -10.104 297 HE2 LYS 38 HE2 LYS 38 -5.213 -3.330 -10.170 298 HE3 LYS 38 HE3 LYS 38 -6.631 -3.976 -10.996 299 HZ1 LYS 38 HZ1 LYS 38 -6.747 -1.674 -12.070 300 HZ2 LYS 38 HZ2 LYS 38 -5.557 -2.745 -12.619 301 HZ3 LYS 38 HZ3 LYS 38 -5.144 -1.491 -11.560 302 H LYS 39 H LYS 39 -4.880 2.525 -9.559 303 HA LYS 39 HA LYS 39 -2.204 2.487 -10.241 304 HB2 LYS 39 HB2 LYS 39 -2.462 4.708 -10.975 305 HB3 LYS 39 HB3 LYS 39 -4.062 3.996 -11.131 306 HG2 LYS 39 HG2 LYS 39 -4.759 5.056 -9.060 307 HG3 LYS 39 HG3 LYS 39 -3.145 5.736 -8.851 308 HD2 LYS 39 HD2 LYS 39 -4.587 7.429 -9.763 309 HD3 LYS 39 HD3 LYS 39 -3.432 6.941 -11.005 310 HE2 LYS 39 HE2 LYS 39 -5.152 5.448 -11.962 311 HE3 LYS 39 HE3 LYS 39 -6.300 6.036 -10.761 312 HZ1 LYS 39 HZ1 LYS 39 -5.646 8.336 -11.732 313 HZ2 LYS 39 HZ2 LYS 39 -6.767 7.368 -12.549 314 HZ3 LYS 39 HZ3 LYS 39 -5.163 7.436 -13.081 315 H VAL 40 H VAL 40 -3.738 3.762 -7.346 316 HA VAL 40 HA VAL 40 -1.460 5.113 -6.327 317 HB VAL 40 HB VAL 40 -3.969 4.092 -5.013 318 HG11 VAL 40 HG11 VAL 40 -1.647 5.534 -3.748 319 HG12 VAL 40 HG12 VAL 40 -3.248 5.414 -3.018 320 HG13 VAL 40 HG13 VAL 40 -2.299 3.956 -3.311 321 HG21 VAL 40 HG21 VAL 40 -3.459 6.323 -6.552 322 HG22 VAL 40 HG22 VAL 40 -4.822 6.108 -5.455 323 HG23 VAL 40 HG23 VAL 40 -3.366 6.934 -4.900 324 H LEU 41 H LEU 41 -2.985 2.121 -5.116 325 HA LEU 41 HA LEU 41 -0.949 1.318 -3.435 326 HB2 LEU 41 HB2 LEU 41 -3.022 -0.194 -4.977 327 HB3 LEU 41 HB3 LEU 41 -1.829 -1.052 -4.005 328 HG LEU 41 HG LEU 41 -3.887 -0.823 -2.767 329 HD11 LEU 41 HD11 LEU 41 -3.040 0.172 -0.755 330 HD12 LEU 41 HD12 LEU 41 -1.848 1.099 -1.663 331 HD13 LEU 41 HD13 LEU 41 -1.717 -0.657 -1.574 332 HD21 LEU 41 HD21 LEU 41 -5.029 1.151 -2.405 333 HD22 LEU 41 HD22 LEU 41 -4.473 1.350 -4.067 334 HD23 LEU 41 HD23 LEU 41 -3.620 2.154 -2.748 335 H GLU 42 H GLU 42 -1.398 0.510 -6.866 336 HA GLU 42 HA GLU 42 0.796 -1.191 -7.152 337 HB2 GLU 42 HB2 GLU 42 -0.657 0.598 -9.086 338 HB3 GLU 42 HB3 GLU 42 0.714 -0.375 -9.597 339 HG2 GLU 42 HG2 GLU 42 -0.785 -2.234 -8.323 340 HG3 GLU 42 HG3 GLU 42 -2.035 -1.168 -8.962 341 H ASN 43 H ASN 43 0.588 2.294 -7.888 342 HA ASN 43 HA ASN 43 3.248 2.685 -8.591 343 HB2 ASN 43 HB2 ASN 43 1.095 4.463 -7.522 344 HB3 ASN 43 HB3 ASN 43 2.738 5.089 -7.626 345 HD21 ASN 43 HD21 ASN 43 1.009 2.863 -9.759 346 HD22 ASN 43 HD22 ASN 43 1.124 3.853 -11.171 347 H TYR 44 H TYR 44 1.791 3.527 -5.443 348 HA TYR 44 HA TYR 44 4.114 4.097 -4.075 349 HB2 TYR 44 HB2 TYR 44 1.440 3.056 -3.211 350 HB3 TYR 44 HB3 TYR 44 2.740 3.196 -2.032 351 HD1 TYR 44 HD2 TYR 44 4.076 5.658 -2.740 352 HD2 TYR 44 HD1 TYR 44 -0.080 4.750 -2.804 353 HE1 TYR 44 HE2 TYR 44 3.557 8.045 -2.448 354 HE2 TYR 44 HE1 TYR 44 -0.611 7.134 -2.514 355 HH TYR 44 HH TYR 44 1.449 9.558 -3.070 356 H LEU 45 H LEU 45 2.533 0.951 -4.486 357 HA LEU 45 HA LEU 45 4.061 -0.623 -2.833 358 HB2 LEU 45 HB2 LEU 45 2.197 -1.566 -3.958 359 HB3 LEU 45 HB3 LEU 45 2.887 -1.207 -5.540 360 HG LEU 45 HG LEU 45 2.887 -3.646 -4.663 361 HD11 LEU 45 HD11 LEU 45 4.589 -4.129 -6.121 362 HD12 LEU 45 HD12 LEU 45 5.574 -2.765 -5.599 363 HD13 LEU 45 HD13 LEU 45 4.171 -2.494 -6.631 364 HD21 LEU 45 HD21 LEU 45 4.104 -2.644 -2.512 365 HD22 LEU 45 HD22 LEU 45 5.528 -2.999 -3.491 366 HD23 LEU 45 HD23 LEU 45 4.390 -4.286 -3.091 367 H GLU 46 H GLU 46 4.734 0.046 -6.273 368 HA GLU 46 HA GLU 46 7.251 -1.236 -6.285 369 HB2 GLU 46 HB2 GLU 46 5.735 0.527 -8.114 370 HB3 GLU 46 HB3 GLU 46 7.480 0.520 -8.327 371 HG2 GLU 46 HG2 GLU 46 7.065 -1.210 -9.680 372 HG3 GLU 46 HG3 GLU 46 6.999 -2.128 -8.177 373 H GLU 47 H GLU 47 6.237 2.048 -5.584 374 HA GLU 47 HA GLU 47 8.692 3.353 -5.697 375 HB2 GLU 47 HB2 GLU 47 6.382 3.857 -3.812 376 HB3 GLU 47 HB3 GLU 47 7.705 4.976 -4.111 377 HG2 GLU 47 HG2 GLU 47 6.341 4.083 -6.534 378 HG3 GLU 47 HG3 GLU 47 5.312 4.971 -5.412 379 H LEU 48 H LEU 48 7.346 1.258 -3.244 380 HA LEU 48 HA LEU 48 9.038 1.885 -1.106 381 HB2 LEU 48 HB2 LEU 48 7.606 -0.633 -1.894 382 HB3 LEU 48 HB3 LEU 48 8.589 -0.541 -0.435 383 HG LEU 48 HG LEU 48 6.589 1.587 -0.661 384 HD11 LEU 48 HD11 LEU 48 4.670 0.396 -0.664 385 HD12 LEU 48 HD12 LEU 48 5.406 -1.006 0.110 386 HD13 LEU 48 HD13 LEU 48 5.641 -0.728 -1.615 387 HD21 LEU 48 HD21 LEU 48 6.424 1.297 1.630 388 HD22 LEU 48 HD22 LEU 48 8.098 0.846 1.310 389 HD23 LEU 48 HD23 LEU 48 6.878 -0.405 1.551 390 H LYS 49 H LYS 49 9.533 -0.110 -3.936 391 HA LYS 49 HA LYS 49 11.978 -1.280 -2.973 392 HB2 LYS 49 HB2 LYS 49 10.658 -1.230 -5.687 393 HB3 LYS 49 HB3 LYS 49 12.188 -2.040 -5.381 394 HG2 LYS 49 HG2 LYS 49 10.630 -3.747 -5.222 395 HG3 LYS 49 HG3 LYS 49 10.916 -3.301 -3.538 396 HD2 LYS 49 HD2 LYS 49 8.789 -2.685 -3.252 397 HD3 LYS 49 HD3 LYS 49 8.790 -1.730 -4.736 398 HE2 LYS 49 HE2 LYS 49 7.142 -3.613 -4.700 399 HE3 LYS 49 HE3 LYS 49 8.267 -3.642 -6.057 400 HZ1 LYS 49 HZ1 LYS 49 9.044 -5.121 -3.669 401 HZ2 LYS 49 HZ2 LYS 49 9.275 -5.502 -5.301 402 HZ3 LYS 49 HZ3 LYS 49 7.769 -5.764 -4.576 403 H GLN 50 H GLN 50 11.058 1.522 -4.829 404 HA GLN 50 HA GLN 50 13.704 2.062 -5.810 405 HB2 GLN 50 HB2 GLN 50 11.379 3.980 -5.652 406 HB3 GLN 50 HB3 GLN 50 12.780 4.086 -6.707 407 HG2 GLN 50 HG2 GLN 50 10.621 1.994 -6.829 408 HG3 GLN 50 HG3 GLN 50 10.822 3.355 -7.932 409 HE21 GLN 50 HE21 GLN 50 10.731 0.641 -8.695 410 HE22 GLN 50 HE22 GLN 50 12.262 0.230 -9.383 411 H LYS 51 H LYS 51 14.966 3.939 -5.242 412 HA LYS 51 HA LYS 51 14.920 4.420 -2.367 413 HB2 LYS 51 HB2 LYS 51 17.155 5.315 -2.656 414 HB3 LYS 51 HB3 LYS 51 17.034 3.757 -3.463 415 HG2 LYS 51 HG2 LYS 51 16.974 4.758 -5.599 416 HG3 LYS 51 HG3 LYS 51 16.705 6.365 -4.918 417 HD2 LYS 51 HD2 LYS 51 18.949 6.472 -5.396 418 HD3 LYS 51 HD3 LYS 51 18.999 5.896 -3.729 419 HE2 LYS 51 HE2 LYS 51 18.907 3.923 -5.966 420 HE3 LYS 51 HE3 LYS 51 20.428 4.729 -5.588 421 HZ1 LYS 51 HZ1 LYS 51 19.839 3.984 -3.182 422 HZ2 LYS 51 HZ2 LYS 51 20.546 2.888 -4.259 423 HZ3 LYS 51 HZ3 LYS 51 18.881 2.832 -3.968 424 H SER 52 H SER 52 13.185 5.714 -4.605 425 HA SER 52 HA SER 52 13.849 8.517 -4.317 426 HB2 SER 52 HB2 SER 52 12.824 7.354 -6.400 427 HB3 SER 52 HB3 SER 52 11.297 7.485 -5.528 428 HG SER 52 HG SER 52 12.875 9.466 -6.671 429 H ALA 53 H ALA 53 12.377 6.321 -2.375 430 HA ALA 53 HA ALA 53 11.257 8.332 -0.680 431 HB1 ALA 53 HB1 ALA 53 9.402 8.186 -2.210 432 HB2 ALA 53 HB2 ALA 53 9.365 6.429 -2.054 433 HB3 ALA 53 HB3 ALA 53 8.947 7.445 -0.675 434 H SER 54 H SER 54 11.186 7.658 1.403 435 HA SER 54 HA SER 54 12.343 5.110 2.021 436 HB2 SER 54 HB2 SER 54 11.188 7.222 3.861 437 HB3 SER 54 HB3 SER 54 12.167 5.844 4.366 438 HG SER 54 HG SER 54 13.763 6.778 2.794 439 H VAL 55 H VAL 55 11.396 3.543 3.487 440 HA VAL 55 HA VAL 55 8.968 2.532 2.664 441 HB VAL 55 HB VAL 55 10.666 2.087 5.064 442 HG11 VAL 55 HG11 VAL 55 7.778 1.313 4.860 443 HG12 VAL 55 HG12 VAL 55 8.924 0.325 5.768 444 HG13 VAL 55 HG13 VAL 55 8.650 2.006 6.227 445 HG21 VAL 55 HG21 VAL 55 11.378 0.618 3.517 446 HG22 VAL 55 HG22 VAL 55 9.992 -0.337 4.047 447 HG23 VAL 55 HG23 VAL 55 9.864 0.681 2.613 448 HA PRO 56 HA PRO 56 6.825 4.522 6.515 449 HB2 PRO 56 HB2 PRO 56 8.230 6.398 7.884 450 HB3 PRO 56 HB3 PRO 56 8.293 4.675 8.276 451 HG2 PRO 56 HG2 PRO 56 10.222 6.331 6.694 452 HG3 PRO 56 HG3 PRO 56 10.552 5.093 7.920 453 HD2 PRO 56 HD2 PRO 56 10.727 4.595 5.265 454 HD3 PRO 56 HD3 PRO 56 10.232 3.358 6.438 455 H LEU 57 H LEU 57 8.788 6.255 4.279 456 HA LEU 57 HA LEU 57 7.332 8.739 4.497 457 HB2 LEU 57 HB2 LEU 57 9.560 7.707 2.810 458 HB3 LEU 57 HB3 LEU 57 8.655 9.114 2.254 459 HG LEU 57 HG LEU 57 10.149 8.913 4.870 460 HD11 LEU 57 HD11 LEU 57 10.936 9.728 2.165 461 HD12 LEU 57 HD12 LEU 57 11.924 9.228 3.538 462 HD13 LEU 57 HD13 LEU 57 11.334 10.887 3.434 463 HD21 LEU 57 HD21 LEU 57 9.546 11.572 4.027 464 HD22 LEU 57 HD22 LEU 57 9.065 10.740 5.506 465 HD23 LEU 57 HD23 LEU 57 8.057 10.627 4.062 466 H ILE 58 H ILE 58 7.119 5.807 2.682 467 HA ILE 58 HA ILE 58 5.316 6.973 0.711 468 HB ILE 58 HB ILE 58 6.305 4.136 1.019 469 HG12 ILE 58 HG12 ILE 58 7.014 6.035 -1.199 470 HG13 ILE 58 HG13 ILE 58 7.900 6.070 0.322 471 HG21 ILE 58 HG21 ILE 58 4.701 3.532 -0.387 472 HG22 ILE 58 HG22 ILE 58 4.113 5.192 -0.468 473 HG23 ILE 58 HG23 ILE 58 5.357 4.642 -1.589 474 HD11 ILE 58 HD11 ILE 58 9.191 4.677 -0.972 475 HD12 ILE 58 HD12 ILE 58 8.187 3.528 -0.087 476 HD13 ILE 58 HD13 ILE 58 7.795 3.938 -1.757 477 H LEU 59 H LEU 59 5.262 4.498 3.259 478 HA LEU 59 HA LEU 59 2.595 3.724 3.000 479 HB2 LEU 59 HB2 LEU 59 4.321 3.850 5.468 480 HB3 LEU 59 HB3 LEU 59 2.777 3.007 5.365 481 HG LEU 59 HG LEU 59 5.216 2.320 3.729 482 HD11 LEU 59 HD11 LEU 59 5.369 1.962 6.247 483 HD12 LEU 59 HD12 LEU 59 5.663 0.565 5.214 484 HD13 LEU 59 HD13 LEU 59 4.111 0.745 6.032 485 HD21 LEU 59 HD21 LEU 59 2.942 1.772 2.791 486 HD22 LEU 59 HD22 LEU 59 2.715 0.707 4.179 487 HD23 LEU 59 HD23 LEU 59 4.020 0.397 3.033 488 H SER 60 H SER 60 4.036 6.476 4.626 489 HA SER 60 HA SER 60 1.774 7.261 6.122 490 HB2 SER 60 HB2 SER 60 3.881 8.188 6.739 491 HB3 SER 60 HB3 SER 60 4.173 8.791 5.108 492 HG SER 60 HG SER 60 3.329 10.275 6.882 493 H ARG 61 H ARG 61 3.014 8.404 2.984 494 HA ARG 61 HA ARG 61 0.829 10.147 2.492 495 HB2 ARG 61 HB2 ARG 61 3.182 9.173 1.003 496 HB3 ARG 61 HB3 ARG 61 1.809 9.639 0.008 497 HG2 ARG 61 HG2 ARG 61 2.845 11.646 0.120 498 HG3 ARG 61 HG3 ARG 61 1.882 11.770 1.594 499 HD2 ARG 61 HD2 ARG 61 3.695 11.413 2.969 500 HD3 ARG 61 HD3 ARG 61 4.596 10.543 1.729 501 HE ARG 61 HE ARG 61 4.594 13.372 2.202 502 HH11 ARG 61 HH11 ARG 61 5.078 10.882 -0.182 503 HH12 ARG 61 HH12 ARG 61 6.109 11.854 -1.178 504 HH21 ARG 61 HH21 ARG 61 5.951 14.662 0.899 505 HH22 ARG 61 HH22 ARG 61 6.606 14.004 -0.562 506 H MET 62 H MET 62 1.471 6.780 1.759 507 HA MET 62 HA MET 62 -0.414 6.266 -0.190 508 HB2 MET 62 HB2 MET 62 1.284 4.660 0.764 509 HB3 MET 62 HB3 MET 62 0.188 4.414 2.117 510 HG2 MET 62 HG2 MET 62 -1.512 3.560 0.619 511 HG3 MET 62 HG3 MET 62 -0.470 3.868 -0.767 512 HE1 MET 62 HE1 MET 62 -0.291 1.903 2.786 513 HE2 MET 62 HE2 MET 62 -1.689 1.522 1.782 514 HE3 MET 62 HE3 MET 62 -0.433 0.310 2.041 515 H ASN 63 H ASN 63 -0.892 5.875 3.327 516 HA ASN 63 HA ASN 63 -3.598 5.290 3.281 517 HB2 ASN 63 HB2 ASN 63 -1.832 5.416 5.250 518 HB3 ASN 63 HB3 ASN 63 -2.541 7.010 5.483 519 HD21 ASN 63 HD21 ASN 63 -2.892 5.592 7.559 520 HD22 ASN 63 HD22 ASN 63 -4.458 4.871 7.665 521 H LEU 64 H LEU 64 -1.996 8.441 3.335 522 HA LEU 64 HA LEU 64 -4.399 9.954 3.541 523 HB2 LEU 64 HB2 LEU 64 -1.731 10.845 2.465 524 HB3 LEU 64 HB3 LEU 64 -3.027 11.876 3.065 525 HG LEU 64 HG LEU 64 -1.683 9.885 4.861 526 HD11 LEU 64 HD11 LEU 64 -0.298 11.905 3.563 527 HD12 LEU 64 HD12 LEU 64 0.193 11.065 5.034 528 HD13 LEU 64 HD13 LEU 64 -0.690 12.588 5.141 529 HD21 LEU 64 HD21 LEU 64 -2.843 12.571 5.534 530 HD22 LEU 64 HD22 LEU 64 -2.533 11.202 6.602 531 HD23 LEU 64 HD23 LEU 64 -3.846 11.125 5.426 532 H ASP 65 H ASP 65 -2.851 8.334 0.969 533 HA ASP 65 HA ASP 65 -4.068 9.971 -1.103 534 HB2 ASP 65 HB2 ASP 65 -1.755 8.901 -1.278 535 HB3 ASP 65 HB3 ASP 65 -2.596 7.369 -1.501 536 H ILE 66 H ILE 66 -4.225 6.580 -0.024 537 HA ILE 66 HA ILE 66 -6.365 5.854 -1.715 538 HB ILE 66 HB ILE 66 -5.645 4.589 0.930 539 HG12 ILE 66 HG12 ILE 66 -4.601 3.923 -1.830 540 HG13 ILE 66 HG13 ILE 66 -3.696 4.806 -0.606 541 HG21 ILE 66 HG21 ILE 66 -7.813 3.915 -0.012 542 HG22 ILE 66 HG22 ILE 66 -7.002 3.437 -1.503 543 HG23 ILE 66 HG23 ILE 66 -6.652 2.587 0.002 544 HD11 ILE 66 HD11 ILE 66 -3.994 2.783 0.877 545 HD12 ILE 66 HD12 ILE 66 -4.569 1.938 -0.560 546 HD13 ILE 66 HD13 ILE 66 -2.930 2.590 -0.515 547 H SER 67 H SER 67 -6.312 6.660 1.756 548 HA SER 67 HA SER 67 -8.984 6.416 2.341 549 HB2 SER 67 HB2 SER 67 -7.089 7.019 3.926 550 HB3 SER 67 HB3 SER 67 -7.286 8.686 3.387 551 HG SER 67 HG SER 67 -8.491 7.959 5.339 552 H LYS 68 H LYS 68 -7.336 9.272 1.019 553 HA LYS 68 HA LYS 68 -9.671 10.873 0.856 554 HB2 LYS 68 HB2 LYS 68 -8.254 12.487 0.183 555 HB3 LYS 68 HB3 LYS 68 -6.987 11.330 0.571 556 HG2 LYS 68 HG2 LYS 68 -7.061 10.550 -1.788 557 HG3 LYS 68 HG3 LYS 68 -8.199 11.855 -2.132 558 HD2 LYS 68 HD2 LYS 68 -5.701 12.626 -0.754 559 HD3 LYS 68 HD3 LYS 68 -5.535 12.088 -2.428 560 HE2 LYS 68 HE2 LYS 68 -7.514 13.722 -2.862 561 HE3 LYS 68 HE3 LYS 68 -7.026 14.436 -1.326 562 HZ1 LYS 68 HZ1 LYS 68 -5.788 15.638 -2.810 563 HZ2 LYS 68 HZ2 LYS 68 -5.571 14.343 -3.876 564 HZ3 LYS 68 HZ3 LYS 68 -4.691 14.408 -2.433 565 H ALA 69 H ALA 69 -8.135 8.597 -1.323 566 HA ALA 69 HA ALA 69 -9.607 9.291 -3.646 567 HB1 ALA 69 HB1 ALA 69 -7.441 7.839 -3.336 568 HB2 ALA 69 HB2 ALA 69 -8.604 6.515 -3.235 569 HB3 ALA 69 HB3 ALA 69 -8.550 7.534 -4.673 570 H ILE 70 H ILE 70 -10.535 7.790 -0.780 571 HA ILE 70 HA ILE 70 -12.389 5.876 -1.684 572 HB ILE 70 HB ILE 70 -12.457 7.509 0.857 573 HG12 ILE 70 HG12 ILE 70 -11.323 4.765 0.276 574 HG13 ILE 70 HG13 ILE 70 -10.391 6.218 0.618 575 HG21 ILE 70 HG21 ILE 70 -14.382 5.755 -0.241 576 HG22 ILE 70 HG22 ILE 70 -13.626 4.926 1.120 577 HG23 ILE 70 HG23 ILE 70 -14.372 6.507 1.355 578 HD11 ILE 70 HD11 ILE 70 -12.107 4.617 2.476 579 HD12 ILE 70 HD12 ILE 70 -10.394 5.018 2.615 580 HD13 ILE 70 HD13 ILE 70 -11.616 6.269 2.849 581 H ARG 71 H ARG 71 -13.298 8.943 -0.127 582 HA ARG 71 HA ARG 71 -15.891 9.001 -1.160 583 HB2 ARG 71 HB2 ARG 71 -14.317 11.470 -0.453 584 HB3 ARG 71 HB3 ARG 71 -16.049 11.208 -0.310 585 HG2 ARG 71 HG2 ARG 71 -15.326 9.326 1.355 586 HG3 ARG 71 HG3 ARG 71 -13.839 10.271 1.449 587 HD2 ARG 71 HD2 ARG 71 -14.979 11.334 3.090 588 HD3 ARG 71 HD3 ARG 71 -15.621 12.246 1.725 589 HE ARG 71 HE ARG 71 -17.182 9.927 2.298 590 HH11 ARG 71 HH11 ARG 71 -16.569 13.211 3.278 591 HH12 ARG 71 HH12 ARG 71 -18.147 13.441 3.955 592 HH21 ARG 71 HH21 ARG 71 -19.263 10.218 3.186 593 HH22 ARG 71 HH22 ARG 71 -19.679 11.738 3.903 594 H ASN 72 H ASN 72 -12.875 10.285 -2.433 595 HA ASN 72 HA ASN 72 -13.800 11.960 -4.423 596 HB2 ASN 72 HB2 ASN 72 -11.369 10.225 -4.168 597 HB3 ASN 72 HB3 ASN 72 -11.673 11.072 -5.682 598 HD21 ASN 72 HD21 ASN 72 -12.326 12.094 -2.366 599 HD22 ASN 72 HD22 ASN 72 -11.304 13.487 -2.407 600 H ASP 73 H ASP 73 -12.844 8.558 -4.933 601 HA ASP 73 HA ASP 73 -14.449 8.490 -7.364 602 HB2 ASP 73 HB2 ASP 73 -12.294 6.791 -6.196 603 HB3 ASP 73 HB3 ASP 73 -13.429 6.037 -7.311 604 H GLY 74 H GLY 74 -15.422 8.411 -4.425 605 HA2 GLY 74 HA2 GLY 74 -17.054 7.342 -3.207 606 HA3 GLY 74 HA3 GLY 74 -17.773 7.030 -4.780 607 H VAL 75 H VAL 75 -14.663 5.751 -3.804 608 HA VAL 75 HA VAL 75 -15.560 3.068 -4.329 609 HB VAL 75 HB VAL 75 -12.904 3.789 -3.114 610 HG11 VAL 75 HG11 VAL 75 -12.269 1.853 -4.710 611 HG12 VAL 75 HG12 VAL 75 -13.106 1.479 -3.202 612 HG13 VAL 75 HG13 VAL 75 -14.000 1.514 -4.722 613 HG21 VAL 75 HG21 VAL 75 -12.149 3.860 -5.574 614 HG22 VAL 75 HG22 VAL 75 -13.845 4.177 -5.934 615 HG23 VAL 75 HG23 VAL 75 -12.941 5.285 -4.902 616 H THR 76 H THR 76 -15.224 1.286 -2.811 617 HA THR 76 HA THR 76 -15.429 2.065 0.014 618 HB THR 76 HB THR 76 -17.240 0.034 -1.305 619 HG1 THR 76 HG1 THR 76 -17.659 2.718 -0.470 620 HG21 THR 76 HG21 THR 76 -16.722 0.841 1.506 621 HG22 THR 76 HG22 THR 76 -17.175 -0.730 0.844 622 HG23 THR 76 HG23 THR 76 -18.395 0.526 1.045 623 H LEU 77 H LEU 77 -13.855 1.083 1.086 624 HA LEU 77 HA LEU 77 -12.469 -1.187 0.029 625 HB2 LEU 77 HB2 LEU 77 -12.200 -0.226 2.849 626 HB3 LEU 77 HB3 LEU 77 -10.978 -0.935 1.796 627 HG LEU 77 HG LEU 77 -12.107 1.857 1.627 628 HD11 LEU 77 HD11 LEU 77 -9.485 2.194 1.906 629 HD12 LEU 77 HD12 LEU 77 -9.646 0.658 2.756 630 HD13 LEU 77 HD13 LEU 77 -10.575 2.060 3.287 631 HD21 LEU 77 HD21 LEU 77 -10.449 2.185 -0.165 632 HD22 LEU 77 HD22 LEU 77 -11.692 1.012 -0.603 633 HD23 LEU 77 HD23 LEU 77 -10.087 0.459 -0.123 634 H SER 78 H SER 78 -12.611 -3.296 0.582 635 HA SER 78 HA SER 78 -14.981 -4.182 1.919 636 HB2 SER 78 HB2 SER 78 -13.930 -5.369 -0.025 637 HB3 SER 78 HB3 SER 78 -12.611 -5.847 1.043 638 HG SER 78 HG SER 78 -15.329 -6.602 1.146 639 H ASP 79 H ASP 79 -14.573 -6.193 3.481 640 HA ASP 79 HA ASP 79 -13.790 -5.181 5.934 641 HB2 ASP 79 HB2 ASP 79 -15.105 -7.368 5.261 642 HB3 ASP 79 HB3 ASP 79 -13.518 -8.115 5.424 643 H TYR 80 H TYR 80 -11.993 -7.653 4.089 644 HA TYR 80 HA TYR 80 -9.678 -7.598 5.622 645 HB2 TYR 80 HB2 TYR 80 -8.560 -8.618 3.685 646 HB3 TYR 80 HB3 TYR 80 -10.139 -9.343 3.965 647 HD1 TYR 80 HD2 TYR 80 -12.015 -8.853 2.437 648 HD2 TYR 80 HD1 TYR 80 -8.090 -7.394 1.679 649 HE1 TYR 80 HE2 TYR 80 -12.644 -8.389 0.106 650 HE2 TYR 80 HE1 TYR 80 -8.709 -6.925 -0.655 651 HH TYR 80 HH TYR 80 -10.376 -7.691 -2.307 652 H GLN 81 H GLN 81 -10.646 -5.569 2.914 653 HA GLN 81 HA GLN 81 -8.213 -4.299 2.409 654 HB2 GLN 81 HB2 GLN 81 -11.043 -3.280 2.144 655 HB3 GLN 81 HB3 GLN 81 -9.635 -2.418 1.535 656 HG2 GLN 81 HG2 GLN 81 -9.217 -4.788 0.378 657 HG3 GLN 81 HG3 GLN 81 -10.975 -4.838 0.507 658 HE21 GLN 81 HE21 GLN 81 -9.861 -4.857 -1.944 659 HE22 GLN 81 HE22 GLN 81 -10.119 -3.347 -2.742 660 H SER 82 H SER 82 -10.931 -2.804 4.166 661 HA SER 82 HA SER 82 -9.538 -0.700 5.272 662 HB2 SER 82 HB2 SER 82 -12.048 -1.112 5.322 663 HB3 SER 82 HB3 SER 82 -11.759 -2.145 6.722 664 HG SER 82 HG SER 82 -10.544 -0.105 7.457 665 H LYS 83 H LYS 83 -9.763 -4.020 6.383 666 HA LYS 83 HA LYS 83 -8.615 -3.628 8.939 667 HB2 LYS 83 HB2 LYS 83 -9.455 -5.710 9.009 668 HB3 LYS 83 HB3 LYS 83 -9.395 -5.880 7.259 669 HG2 LYS 83 HG2 LYS 83 -7.092 -6.552 7.347 670 HG3 LYS 83 HG3 LYS 83 -7.025 -6.230 9.081 671 HD2 LYS 83 HD2 LYS 83 -8.429 -8.048 9.581 672 HD3 LYS 83 HD3 LYS 83 -8.961 -8.204 7.905 673 HE2 LYS 83 HE2 LYS 83 -6.508 -8.724 7.379 674 HE3 LYS 83 HE3 LYS 83 -6.318 -8.954 9.117 675 HZ1 LYS 83 HZ1 LYS 83 -6.912 -10.949 7.580 676 HZ2 LYS 83 HZ2 LYS 83 -8.489 -10.356 7.725 677 HZ3 LYS 83 HZ3 LYS 83 -7.628 -10.813 9.107 678 H LYS 84 H LYS 84 -7.217 -4.633 5.829 679 HA LYS 84 HA LYS 84 -4.569 -4.902 6.776 680 HB2 LYS 84 HB2 LYS 84 -4.014 -5.398 4.615 681 HB3 LYS 84 HB3 LYS 84 -5.752 -5.640 4.513 682 HG2 LYS 84 HG2 LYS 84 -5.535 -4.321 2.704 683 HG3 LYS 84 HG3 LYS 84 -5.633 -3.032 3.907 684 HD2 LYS 84 HD2 LYS 84 -3.038 -3.358 4.026 685 HD3 LYS 84 HD3 LYS 84 -3.258 -4.080 2.429 686 HE2 LYS 84 HE2 LYS 84 -4.740 -1.810 2.206 687 HE3 LYS 84 HE3 LYS 84 -3.452 -1.277 3.286 688 HZ1 LYS 84 HZ1 LYS 84 -3.067 -1.043 0.802 689 HZ2 LYS 84 HZ2 LYS 84 -2.866 -2.721 0.774 690 HZ3 LYS 84 HZ3 LYS 84 -1.829 -1.762 1.704 691 H LEU 85 H LEU 85 -6.480 -2.164 6.056 692 HA LEU 85 HA LEU 85 -4.447 -0.343 5.306 693 HB2 LEU 85 HB2 LEU 85 -6.965 -0.090 5.053 694 HB3 LEU 85 HB3 LEU 85 -6.982 0.373 6.754 695 HG LEU 85 HG LEU 85 -5.113 1.891 5.060 696 HD11 LEU 85 HD11 LEU 85 -6.600 3.002 3.742 697 HD12 LEU 85 HD12 LEU 85 -7.958 2.703 4.825 698 HD13 LEU 85 HD13 LEU 85 -7.374 1.417 3.770 699 HD21 LEU 85 HD21 LEU 85 -6.571 3.699 6.363 700 HD22 LEU 85 HD22 LEU 85 -5.241 2.825 7.125 701 HD23 LEU 85 HD23 LEU 85 -6.906 2.301 7.384 702 H LYS 86 H LYS 86 -5.761 -1.354 8.409 703 HA LYS 86 HA LYS 86 -4.405 0.620 9.953 704 HB2 LYS 86 HB2 LYS 86 -5.215 -0.517 11.854 705 HB3 LYS 86 HB3 LYS 86 -6.460 -0.729 10.630 706 HG2 LYS 86 HG2 LYS 86 -6.371 -2.902 11.054 707 HG3 LYS 86 HG3 LYS 86 -4.777 -2.914 10.296 708 HD2 LYS 86 HD2 LYS 86 -4.770 -1.998 13.077 709 HD3 LYS 86 HD3 LYS 86 -5.308 -3.667 12.871 710 HE2 LYS 86 HE2 LYS 86 -3.108 -3.477 11.209 711 HE3 LYS 86 HE3 LYS 86 -2.650 -2.514 12.613 712 HZ1 LYS 86 HZ1 LYS 86 -3.710 -4.679 13.772 713 HZ2 LYS 86 HZ2 LYS 86 -2.061 -4.493 13.447 714 HZ3 LYS 86 HZ3 LYS 86 -3.038 -5.371 12.381 715 H GLU 87 H GLU 87 -3.290 -2.038 8.274 716 HA GLU 87 HA GLU 87 -1.380 -3.159 9.980 717 HB2 GLU 87 HB2 GLU 87 -1.367 -2.839 6.976 718 HB3 GLU 87 HB3 GLU 87 -0.202 -3.812 7.863 719 HG2 GLU 87 HG2 GLU 87 -3.117 -4.316 8.228 720 HG3 GLU 87 HG3 GLU 87 -2.298 -4.916 6.787 721 H LEU 88 H LEU 88 -0.434 -1.149 7.215 722 HA LEU 88 HA LEU 88 2.005 -0.360 8.390 723 HB2 LEU 88 HB2 LEU 88 1.920 1.414 6.531 724 HB3 LEU 88 HB3 LEU 88 2.001 -0.287 6.080 725 HG LEU 88 HG LEU 88 0.400 1.306 4.807 726 HD11 LEU 88 HD11 LEU 88 -0.306 -0.626 3.987 727 HD12 LEU 88 HD12 LEU 88 -1.290 -0.910 5.423 728 HD13 LEU 88 HD13 LEU 88 0.389 -1.452 5.383 729 HD21 LEU 88 HD21 LEU 88 -0.602 2.170 6.950 730 HD22 LEU 88 HD22 LEU 88 -1.386 0.600 7.125 731 HD23 LEU 88 HD23 LEU 88 -1.759 1.623 5.736 732 H THR 89 H THR 89 -1.112 0.624 9.060 733 HA THR 89 HA THR 89 -0.775 3.394 9.505 734 HB THR 89 HB THR 89 -2.723 1.406 10.671 735 HG1 THR 89 HG1 THR 89 -4.122 2.822 9.279 736 HG21 THR 89 HG21 THR 89 -2.269 4.267 11.318 737 HG22 THR 89 HG22 THR 89 -2.896 2.963 12.327 738 HG23 THR 89 HG23 THR 89 -3.939 3.735 11.133 739 H SER 90 H SER 90 -0.690 0.636 11.762 740 HA SER 90 HA SER 90 0.152 2.263 13.963 741 HB2 SER 90 HB2 SER 90 -1.100 -0.081 13.896 742 HB3 SER 90 HB3 SER 90 0.550 -0.695 13.990 743 HG SER 90 HG SER 90 -0.961 0.643 15.883 744 H ILE 91 H ILE 91 1.732 0.312 11.535 745 HA ILE 91 HA ILE 91 4.277 0.194 12.807 746 HB ILE 91 HB ILE 91 3.607 -0.088 9.875 747 HG12 ILE 91 HG12 ILE 91 4.044 -2.264 11.925 748 HG13 ILE 91 HG13 ILE 91 2.450 -1.680 11.457 749 HG21 ILE 91 HG21 ILE 91 5.814 -0.106 9.586 750 HG22 ILE 91 HG22 ILE 91 6.108 -0.098 11.324 751 HG23 ILE 91 HG23 ILE 91 5.840 -1.625 10.482 752 HD11 ILE 91 HD11 ILE 91 4.213 -3.545 10.120 753 HD12 ILE 91 HD12 ILE 91 2.486 -3.259 9.902 754 HD13 ILE 91 HD13 ILE 91 3.660 -2.258 9.050 755 H SER 92 H SER 92 3.006 2.184 10.138 756 HA SER 92 HA SER 92 5.354 3.782 9.939 757 HB2 SER 92 HB2 SER 92 2.552 4.349 8.941 758 HB3 SER 92 HB3 SER 92 4.015 5.197 8.441 759 HG SER 92 HG SER 92 3.092 2.674 7.750 760 H ASN 93 H ASN 93 5.884 5.665 10.900 761 HA ASN 93 HA ASN 93 4.339 6.482 13.199 762 HB2 ASN 93 HB2 ASN 93 6.977 7.400 12.051 763 HB3 ASN 93 HB3 ASN 93 6.236 8.156 13.459 764 HD21 ASN 93 HD21 ASN 93 8.185 7.506 14.555 765 HD22 ASN 93 HD22 ASN 93 8.321 5.897 15.170 766 H ILE 94 H ILE 94 2.456 7.384 12.371 767 HA ILE 94 HA ILE 94 2.531 9.475 10.401 768 HB ILE 94 HB ILE 94 0.227 8.705 12.194 769 HG12 ILE 94 HG12 ILE 94 1.089 6.762 10.929 770 HG13 ILE 94 HG13 ILE 94 -0.517 7.243 10.391 771 HG21 ILE 94 HG21 ILE 94 -0.958 9.542 9.990 772 HG22 ILE 94 HG22 ILE 94 -0.456 10.669 11.248 773 HG23 ILE 94 HG23 ILE 94 0.541 10.452 9.809 774 HD11 ILE 94 HD11 ILE 94 2.073 7.911 9.012 775 HD12 ILE 94 HD12 ILE 94 0.920 6.670 8.518 776 HD13 ILE 94 HD13 ILE 94 0.460 8.371 8.468 777 H ARG 95 H ARG 95 4.123 10.756 11.700 778 HA ARG 95 HA ARG 95 3.100 12.135 14.024 779 HB2 ARG 95 HB2 ARG 95 5.644 12.528 12.437 780 HB3 ARG 95 HB3 ARG 95 5.259 13.352 13.942 781 HG2 ARG 95 HG2 ARG 95 5.075 11.057 14.994 782 HG3 ARG 95 HG3 ARG 95 5.807 10.433 13.513 783 HD2 ARG 95 HD2 ARG 95 7.816 11.568 13.891 784 HD3 ARG 95 HD3 ARG 95 7.080 12.664 15.060 785 HE ARG 95 HE ARG 95 6.808 10.268 16.255 786 HH11 ARG 95 HH11 ARG 95 9.527 11.873 14.787 787 HH12 ARG 95 HH12 ARG 95 10.695 11.126 15.825 788 HH21 ARG 95 HH21 ARG 95 8.337 9.276 17.627 789 HH22 ARG 95 HH22 ARG 95 10.017 9.648 17.439 790 H TYR 96 H TYR 96 4.450 13.355 10.954 791 HA TYR 96 HA TYR 96 2.814 15.753 11.221 792 HB2 TYR 96 HB2 TYR 96 4.146 16.562 9.272 793 HB3 TYR 96 HB3 TYR 96 5.131 16.123 10.662 794 HD1 TYR 96 HD2 TYR 96 4.026 15.012 7.311 795 HD2 TYR 96 HD1 TYR 96 6.769 14.415 10.508 796 HE1 TYR 96 HE2 TYR 96 5.351 13.509 5.885 797 HE2 TYR 96 HE1 TYR 96 8.103 12.911 9.090 798 HH TYR 96 HH TYR 96 7.007 11.955 5.885 799 H GLY 97 H GLY 97 3.034 12.850 9.317 800 HA2 GLY 97 HA2 GLY 97 1.418 11.911 7.947 801 HA3 GLY 97 HA3 GLY 97 0.430 13.344 8.188 802 H TYR 98 H TYR 98 1.459 15.377 7.111 803 HA TYR 98 HA TYR 98 2.347 14.597 4.410 804 HB2 TYR 98 HB2 TYR 98 0.024 15.452 4.460 805 HB3 TYR 98 HB3 TYR 98 0.607 16.956 5.164 806 HD1 TYR 98 HD2 TYR 98 1.939 18.523 3.815 807 HD2 TYR 98 HD1 TYR 98 0.296 14.984 2.118 808 HE1 TYR 98 HE2 TYR 98 2.316 19.435 1.562 809 HE2 TYR 98 HE1 TYR 98 0.668 15.886 -0.140 810 HH TYR 98 HH TYR 98 2.660 18.405 -0.805 Start of MODEL 15 1 H1 MET 1 H MET 1 -6.257 -26.619 -4.575 2 HA MET 1 HA MET 1 -8.562 -26.037 -5.107 3 HB2 MET 1 HB2 MET 1 -7.967 -28.985 -5.392 4 HB3 MET 1 HB3 MET 1 -9.317 -28.174 -6.177 5 HG2 MET 1 HG2 MET 1 -6.439 -27.403 -6.576 6 HG3 MET 1 HG3 MET 1 -7.313 -28.527 -7.614 7 HE1 MET 1 HE1 MET 1 -8.435 -27.041 -10.144 8 HE2 MET 1 HE2 MET 1 -7.069 -25.928 -10.058 9 HE3 MET 1 HE3 MET 1 -6.882 -27.599 -9.523 10 H GLY 2 H GLY 2 -8.943 -25.753 -2.558 11 HA2 GLY 2 HA2 GLY 2 -11.479 -26.967 -2.067 12 HA3 GLY 2 HA3 GLY 2 -10.236 -27.648 -1.028 13 H LYS 3 H LYS 3 -10.205 -26.764 0.915 14 HA LYS 3 HA LYS 3 -11.469 -24.258 1.462 15 HB2 LYS 3 HB2 LYS 3 -9.781 -26.059 3.207 16 HB3 LYS 3 HB3 LYS 3 -10.652 -24.645 3.785 17 HG2 LYS 3 HG2 LYS 3 -12.505 -26.237 2.374 18 HG3 LYS 3 HG3 LYS 3 -11.589 -27.309 3.436 19 HD2 LYS 3 HD2 LYS 3 -12.653 -24.724 4.494 20 HD3 LYS 3 HD3 LYS 3 -13.731 -26.111 4.322 21 HE2 LYS 3 HE2 LYS 3 -11.095 -26.355 5.731 22 HE3 LYS 3 HE3 LYS 3 -12.525 -25.755 6.571 23 HZ1 LYS 3 HZ1 LYS 3 -13.614 -27.775 6.322 24 HZ2 LYS 3 HZ2 LYS 3 -12.028 -28.239 6.681 25 HZ3 LYS 3 HZ3 LYS 3 -12.587 -28.307 5.087 26 H LEU 4 H LEU 4 -10.555 -22.310 2.049 27 HA LEU 4 HA LEU 4 -7.637 -22.070 1.859 28 HB2 LEU 4 HB2 LEU 4 -8.961 -21.450 -0.285 29 HB3 LEU 4 HB3 LEU 4 -9.416 -20.005 0.618 30 HG LEU 4 HG LEU 4 -6.973 -19.508 0.881 31 HD11 LEU 4 HD11 LEU 4 -5.789 -20.789 -1.206 32 HD12 LEU 4 HD12 LEU 4 -6.808 -22.065 -0.539 33 HD13 LEU 4 HD13 LEU 4 -5.625 -21.255 0.487 34 HD21 LEU 4 HD21 LEU 4 -6.844 -18.403 -1.153 35 HD22 LEU 4 HD22 LEU 4 -8.580 -18.643 -0.952 36 HD23 LEU 4 HD23 LEU 4 -7.661 -19.699 -2.026 37 H LYS 5 H LYS 5 -6.738 -20.300 2.982 38 HA LYS 5 HA LYS 5 -8.573 -18.829 4.743 39 HB2 LYS 5 HB2 LYS 5 -5.952 -19.957 5.716 40 HB3 LYS 5 HB3 LYS 5 -7.242 -19.240 6.672 41 HG2 LYS 5 HG2 LYS 5 -7.657 -21.424 7.098 42 HG3 LYS 5 HG3 LYS 5 -8.620 -21.250 5.629 43 HD2 LYS 5 HD2 LYS 5 -7.443 -23.124 5.075 44 HD3 LYS 5 HD3 LYS 5 -6.313 -21.900 4.490 45 HE2 LYS 5 HE2 LYS 5 -6.135 -22.926 7.297 46 HE3 LYS 5 HE3 LYS 5 -5.432 -23.840 5.964 47 HZ1 LYS 5 HZ1 LYS 5 -3.655 -22.558 6.293 48 HZ2 LYS 5 HZ2 LYS 5 -4.506 -21.425 7.218 49 HZ3 LYS 5 HZ3 LYS 5 -4.528 -21.327 5.528 50 H TRP 6 H TRP 6 -7.932 -16.759 5.303 51 HA TRP 6 HA TRP 6 -5.953 -15.579 3.545 52 HB2 TRP 6 HB2 TRP 6 -8.069 -14.507 5.377 53 HB3 TRP 6 HB3 TRP 6 -6.777 -13.446 4.823 54 HD1 TRP 6 HD1 TRP 6 -10.156 -14.188 3.951 55 HE1 TRP 6 HE1 TRP 6 -10.654 -13.743 1.465 56 HE3 TRP 6 HE3 TRP 6 -5.361 -13.941 2.195 57 HZ2 TRP 6 HZ2 TRP 6 -9.205 -13.342 -0.924 58 HZ3 TRP 6 HZ3 TRP 6 -5.003 -13.524 -0.204 59 HH2 TRP 6 HH2 TRP 6 -6.887 -13.231 -1.729 60 H PHE 7 H PHE 7 -4.065 -16.538 4.481 61 HA PHE 7 HA PHE 7 -3.367 -15.759 7.196 62 HB2 PHE 7 HB2 PHE 7 -2.873 -18.044 5.963 63 HB3 PHE 7 HB3 PHE 7 -1.459 -17.171 5.381 64 HD1 PHE 7 HD2 PHE 7 -3.204 -18.356 8.407 65 HD2 PHE 7 HD1 PHE 7 0.393 -16.761 6.784 66 HE1 PHE 7 HE2 PHE 7 -2.038 -18.847 10.517 67 HE2 PHE 7 HE1 PHE 7 1.565 -17.250 8.891 68 HZ PHE 7 HZ PHE 7 0.348 -18.294 10.762 69 H SER 8 H SER 8 -1.149 -14.873 7.583 70 HA SER 8 HA SER 8 0.226 -13.456 5.552 71 HB2 SER 8 HB2 SER 8 -0.358 -11.149 6.679 72 HB3 SER 8 HB3 SER 8 -1.406 -11.817 5.428 73 HG SER 8 HG SER 8 -2.307 -11.045 7.597 74 H GLY 9 H GLY 9 1.934 -12.020 6.470 75 HA2 GLY 9 HA2 GLY 9 2.715 -11.513 8.955 76 HA3 GLY 9 HA3 GLY 9 2.979 -13.251 8.899 77 H GLY 10 H GLY 10 4.905 -11.050 9.231 78 HA2 GLY 10 HA2 GLY 10 6.853 -12.013 7.329 79 HA3 GLY 10 HA3 GLY 10 6.407 -10.329 7.094 80 H LYS 11 H LYS 11 9.002 -11.355 7.789 81 HA LYS 11 HA LYS 11 9.432 -10.825 10.586 82 HB2 LYS 11 HB2 LYS 11 10.773 -12.415 9.059 83 HB3 LYS 11 HB3 LYS 11 11.588 -10.963 8.491 84 HG2 LYS 11 HG2 LYS 11 12.306 -10.474 10.777 85 HG3 LYS 11 HG3 LYS 11 11.496 -11.937 11.340 86 HD2 LYS 11 HD2 LYS 11 13.626 -12.736 11.090 87 HD3 LYS 11 HD3 LYS 11 12.988 -13.064 9.477 88 HE2 LYS 11 HE2 LYS 11 15.119 -12.058 9.186 89 HE3 LYS 11 HE3 LYS 11 13.915 -10.839 8.770 90 HZ1 LYS 11 HZ1 LYS 11 14.628 -10.761 11.537 91 HZ2 LYS 11 HZ2 LYS 11 14.624 -9.516 10.392 92 HZ3 LYS 11 HZ3 LYS 11 15.971 -10.530 10.534 93 H GLU 12 H GLU 12 10.681 -9.275 7.619 94 HA GLU 12 HA GLU 12 11.598 -6.960 8.958 95 HB2 GLU 12 HB2 GLU 12 11.091 -7.647 6.080 96 HB3 GLU 12 HB3 GLU 12 11.518 -6.005 6.540 97 HG2 GLU 12 HG2 GLU 12 13.203 -8.293 7.450 98 HG3 GLU 12 HG3 GLU 12 13.365 -7.668 5.809 99 H ARG 13 H ARG 13 10.675 -5.001 9.323 100 HA ARG 13 HA ARG 13 7.805 -4.871 9.292 101 HB2 ARG 13 HB2 ARG 13 10.011 -3.124 10.300 102 HB3 ARG 13 HB3 ARG 13 8.405 -2.434 10.100 103 HG2 ARG 13 HG2 ARG 13 7.639 -4.500 11.480 104 HG3 ARG 13 HG3 ARG 13 9.333 -4.561 11.974 105 HD2 ARG 13 HD2 ARG 13 9.198 -2.272 12.782 106 HD3 ARG 13 HD3 ARG 13 7.526 -2.159 12.233 107 HE ARG 13 HE ARG 13 6.881 -3.248 14.133 108 HH11 ARG 13 HH11 ARG 13 10.281 -3.799 13.625 109 HH12 ARG 13 HH12 ARG 13 10.508 -4.614 15.137 110 HH21 ARG 13 HH21 ARG 13 7.168 -4.318 16.126 111 HH22 ARG 13 HH22 ARG 13 8.736 -4.909 16.559 112 H SER 14 H SER 14 10.438 -3.155 7.646 113 HA SER 14 HA SER 14 8.789 -1.390 6.185 114 HB2 SER 14 HB2 SER 14 11.631 -2.238 6.089 115 HB3 SER 14 HB3 SER 14 10.971 -1.542 4.609 116 HG SER 14 HG SER 14 11.920 -0.036 6.188 117 H ASN 15 H ASN 15 10.289 -4.490 5.306 118 HA ASN 15 HA ASN 15 9.198 -4.562 2.687 119 HB2 ASN 15 HB2 ASN 15 11.134 -5.885 3.094 120 HB3 ASN 15 HB3 ASN 15 10.385 -6.685 4.472 121 HD21 ASN 15 HD21 ASN 15 9.775 -8.676 4.088 122 HD22 ASN 15 HD22 ASN 15 9.254 -9.313 2.569 123 H GLN 16 H GLN 16 7.856 -5.120 5.756 124 HA GLN 16 HA GLN 16 5.970 -7.118 5.241 125 HB2 GLN 16 HB2 GLN 16 6.633 -5.589 7.407 126 HB3 GLN 16 HB3 GLN 16 5.052 -4.941 6.992 127 HG2 GLN 16 HG2 GLN 16 3.966 -6.899 7.466 128 HG3 GLN 16 HG3 GLN 16 5.393 -7.890 7.164 129 HE21 GLN 16 HE21 GLN 16 4.695 -8.888 9.201 130 HE22 GLN 16 HE22 GLN 16 5.237 -8.191 10.687 131 H ALA 17 H ALA 17 5.543 -3.579 5.119 132 HA ALA 17 HA ALA 17 2.937 -3.475 4.238 133 HB1 ALA 17 HB1 ALA 17 4.652 -1.589 4.827 134 HB2 ALA 17 HB2 ALA 17 4.913 -1.564 3.082 135 HB3 ALA 17 HB3 ALA 17 3.304 -1.262 3.738 136 H GLU 18 H GLU 18 5.882 -3.802 2.284 137 HA GLU 18 HA GLU 18 4.759 -3.649 -0.246 138 HB2 GLU 18 HB2 GLU 18 7.148 -3.676 0.026 139 HB3 GLU 18 HB3 GLU 18 7.099 -5.280 0.743 140 HG2 GLU 18 HG2 GLU 18 6.259 -6.162 -1.417 141 HG3 GLU 18 HG3 GLU 18 6.482 -4.557 -2.111 142 H ASN 19 H ASN 19 5.251 -6.536 1.774 143 HA ASN 19 HA ASN 19 4.086 -8.353 -0.047 144 HB2 ASN 19 HB2 ASN 19 5.457 -9.323 1.595 145 HB3 ASN 19 HB3 ASN 19 4.664 -8.450 2.903 146 HD21 ASN 19 HD21 ASN 19 3.787 -9.927 4.168 147 HD22 ASN 19 HD22 ASN 19 2.778 -11.231 3.650 148 H ILE 20 H ILE 20 2.770 -6.431 2.595 149 HA ILE 20 HA ILE 20 0.237 -7.603 2.766 150 HB ILE 20 HB ILE 20 1.043 -4.735 3.256 151 HG12 ILE 20 HG12 ILE 20 0.453 -6.799 5.354 152 HG13 ILE 20 HG13 ILE 20 2.043 -6.732 4.602 153 HG21 ILE 20 HG21 ILE 20 -1.489 -6.198 3.990 154 HG22 ILE 20 HG22 ILE 20 -1.025 -4.615 4.616 155 HG23 ILE 20 HG23 ILE 20 -1.335 -4.825 2.892 156 HD11 ILE 20 HD11 ILE 20 2.624 -4.869 5.706 157 HD12 ILE 20 HD12 ILE 20 1.009 -4.169 5.594 158 HD13 ILE 20 HD13 ILE 20 1.362 -5.384 6.824 159 H ILE 21 H ILE 21 1.206 -4.682 0.960 160 HA ILE 21 HA ILE 21 -1.187 -4.123 -0.284 161 HB ILE 21 HB ILE 21 1.577 -3.828 -1.468 162 HG12 ILE 21 HG12 ILE 21 -0.112 -1.791 -0.006 163 HG13 ILE 21 HG13 ILE 21 1.176 -2.720 0.751 164 HG21 ILE 21 HG21 ILE 21 -1.030 -2.516 -2.220 165 HG22 ILE 21 HG22 ILE 21 0.551 -2.067 -2.856 166 HG23 ILE 21 HG23 ILE 21 -0.112 -3.666 -3.191 167 HD11 ILE 21 HD11 ILE 21 1.442 -0.709 -1.466 168 HD12 ILE 21 HD12 ILE 21 2.028 -0.571 0.192 169 HD13 ILE 21 HD13 ILE 21 2.754 -1.745 -0.905 170 H THR 22 H THR 22 1.292 -6.449 -1.243 171 HA THR 22 HA THR 22 0.334 -7.143 -3.759 172 HB THR 22 HB THR 22 1.504 -9.171 -1.863 173 HG1 THR 22 HG1 THR 22 3.543 -8.336 -2.423 174 HG21 THR 22 HG21 THR 22 2.666 -9.822 -4.046 175 HG22 THR 22 HG22 THR 22 1.496 -8.768 -4.843 176 HG23 THR 22 HG23 THR 22 0.941 -10.164 -3.921 177 H ASP 23 H ASP 23 -0.828 -8.015 -0.590 178 HA ASP 23 HA ASP 23 -2.373 -10.258 -1.262 179 HB2 ASP 23 HB2 ASP 23 -1.851 -9.579 1.060 180 HB3 ASP 23 HB3 ASP 23 -2.926 -8.195 0.882 181 H LEU 24 H LEU 24 -3.718 -7.051 -0.490 182 HA LEU 24 HA LEU 24 -6.224 -7.414 -1.541 183 HB2 LEU 24 HB2 LEU 24 -4.561 -4.901 -1.500 184 HB3 LEU 24 HB3 LEU 24 -6.288 -4.943 -1.844 185 HG LEU 24 HG LEU 24 -4.915 -5.580 0.760 186 HD11 LEU 24 HD11 LEU 24 -6.745 -3.410 -0.207 187 HD12 LEU 24 HD12 LEU 24 -5.172 -3.266 0.579 188 HD13 LEU 24 HD13 LEU 24 -6.577 -3.788 1.508 189 HD21 LEU 24 HD21 LEU 24 -6.630 -7.214 0.536 190 HD22 LEU 24 HD22 LEU 24 -7.774 -6.020 -0.078 191 HD23 LEU 24 HD23 LEU 24 -7.246 -5.953 1.605 192 H LEU 25 H LEU 25 -3.284 -6.452 -3.238 193 HA LEU 25 HA LEU 25 -4.364 -5.741 -5.694 194 HB2 LEU 25 HB2 LEU 25 -1.761 -6.625 -4.692 195 HB3 LEU 25 HB3 LEU 25 -2.035 -6.992 -6.393 196 HG LEU 25 HG LEU 25 -2.340 -4.665 -6.906 197 HD11 LEU 25 HD11 LEU 25 -3.186 -3.299 -5.379 198 HD12 LEU 25 HD12 LEU 25 -1.625 -3.313 -4.561 199 HD13 LEU 25 HD13 LEU 25 -2.875 -4.466 -4.093 200 HD21 LEU 25 HD21 LEU 25 0.070 -5.574 -5.466 201 HD22 LEU 25 HD22 LEU 25 -0.076 -3.834 -5.720 202 HD23 LEU 25 HD23 LEU 25 -0.106 -4.933 -7.099 203 H ASP 26 H ASP 26 -3.143 -8.940 -4.703 204 HA ASP 26 HA ASP 26 -3.908 -10.289 -7.045 205 HB2 ASP 26 HB2 ASP 26 -2.371 -11.019 -5.041 206 HB3 ASP 26 HB3 ASP 26 -3.867 -11.696 -4.404 207 H ASP 27 H ASP 27 -5.611 -9.688 -4.017 208 HA ASP 27 HA ASP 27 -7.823 -11.359 -4.481 209 HB2 ASP 27 HB2 ASP 27 -7.143 -10.173 -2.312 210 HB3 ASP 27 HB3 ASP 27 -7.961 -8.756 -2.967 211 H LEU 28 H LEU 28 -7.449 -7.859 -5.037 212 HA LEU 28 HA LEU 28 -9.961 -7.691 -6.426 213 HB2 LEU 28 HB2 LEU 28 -9.651 -5.421 -6.450 214 HB3 LEU 28 HB3 LEU 28 -8.707 -5.883 -5.036 215 HG LEU 28 HG LEU 28 -6.789 -5.950 -6.932 216 HD11 LEU 28 HD11 LEU 28 -7.299 -4.847 -8.783 217 HD12 LEU 28 HD12 LEU 28 -7.771 -3.432 -7.843 218 HD13 LEU 28 HD13 LEU 28 -8.959 -4.683 -8.210 219 HD21 LEU 28 HD21 LEU 28 -7.719 -3.515 -5.414 220 HD22 LEU 28 HD22 LEU 28 -6.112 -3.752 -6.101 221 HD23 LEU 28 HD23 LEU 28 -6.672 -4.791 -4.790 222 H LYS 29 H LYS 29 -7.063 -8.938 -7.297 223 HA LYS 29 HA LYS 29 -6.371 -7.922 -9.753 224 HB2 LYS 29 HB2 LYS 29 -5.214 -9.773 -8.516 225 HB3 LYS 29 HB3 LYS 29 -6.465 -10.868 -9.087 226 HG2 LYS 29 HG2 LYS 29 -4.802 -11.228 -10.623 227 HG3 LYS 29 HG3 LYS 29 -5.768 -9.997 -11.440 228 HD2 LYS 29 HD2 LYS 29 -3.581 -9.062 -9.667 229 HD3 LYS 29 HD3 LYS 29 -3.120 -9.815 -11.196 230 HE2 LYS 29 HE2 LYS 29 -5.291 -7.869 -11.433 231 HE3 LYS 29 HE3 LYS 29 -3.776 -7.178 -10.854 232 HZ1 LYS 29 HZ1 LYS 29 -3.163 -8.882 -12.968 233 HZ2 LYS 29 HZ2 LYS 29 -3.045 -7.196 -12.927 234 HZ3 LYS 29 HZ3 LYS 29 -4.468 -7.931 -13.472 235 H THR 30 H THR 30 -7.409 -7.663 -11.608 236 HA THR 30 HA THR 30 -9.078 -7.739 -13.170 237 HB THR 30 HB THR 30 -9.681 -10.135 -13.875 238 HG1 THR 30 HG1 THR 30 -7.463 -10.837 -12.259 239 HG21 THR 30 HG21 THR 30 -6.724 -9.591 -13.858 240 HG22 THR 30 HG22 THR 30 -7.842 -8.614 -14.811 241 HG23 THR 30 HG23 THR 30 -7.699 -10.344 -15.120 242 H ASP 31 H ASP 31 -9.913 -7.599 -10.333 243 HA ASP 31 HA ASP 31 -12.289 -9.172 -10.059 244 HB2 ASP 31 HB2 ASP 31 -10.986 -8.326 -8.119 245 HB3 ASP 31 HB3 ASP 31 -11.473 -6.686 -8.540 246 H LEU 32 H LEU 32 -11.509 -6.260 -11.660 247 HA LEU 32 HA LEU 32 -12.740 -4.820 -12.918 248 HB2 LEU 32 HB2 LEU 32 -15.168 -6.501 -12.407 249 HB3 LEU 32 HB3 LEU 32 -14.787 -5.514 -13.816 250 HG LEU 32 HG LEU 32 -13.549 -8.161 -13.068 251 HD11 LEU 32 HD11 LEU 32 -14.583 -8.224 -15.647 252 HD12 LEU 32 HD12 LEU 32 -15.801 -7.379 -14.692 253 HD13 LEU 32 HD13 LEU 32 -15.263 -8.987 -14.210 254 HD21 LEU 32 HD21 LEU 32 -11.816 -6.833 -14.017 255 HD22 LEU 32 HD22 LEU 32 -12.888 -6.226 -15.279 256 HD23 LEU 32 HD23 LEU 32 -12.395 -7.920 -15.279 257 H ASP 33 H ASP 33 -12.852 -5.033 -9.798 258 HA ASP 33 HA ASP 33 -15.232 -3.431 -9.278 259 HB2 ASP 33 HB2 ASP 33 -14.336 -5.339 -7.773 260 HB3 ASP 33 HB3 ASP 33 -13.152 -4.154 -7.230 261 H ASN 34 H ASN 34 -11.835 -3.126 -8.230 262 HA ASN 34 HA ASN 34 -11.975 -0.263 -8.898 263 HB2 ASN 34 HB2 ASN 34 -10.347 -1.091 -6.547 264 HB3 ASN 34 HB3 ASN 34 -11.216 0.412 -6.840 265 HD21 ASN 34 HD21 ASN 34 -11.437 -2.854 -5.694 266 HD22 ASN 34 HD22 ASN 34 -12.985 -2.702 -4.942 267 H GLU 35 H GLU 35 -10.917 -2.141 -10.615 268 HA GLU 35 HA GLU 35 -8.232 -2.765 -10.388 269 HB2 GLU 35 HB2 GLU 35 -9.941 -3.381 -12.230 270 HB3 GLU 35 HB3 GLU 35 -9.424 -1.889 -13.004 271 HG2 GLU 35 HG2 GLU 35 -7.052 -2.812 -12.791 272 HG3 GLU 35 HG3 GLU 35 -7.825 -4.360 -12.448 273 H SER 36 H SER 36 -9.739 0.291 -11.062 274 HA SER 36 HA SER 36 -7.291 1.539 -11.968 275 HB2 SER 36 HB2 SER 36 -9.763 3.048 -11.166 276 HB3 SER 36 HB3 SER 36 -8.575 3.445 -12.408 277 HG SER 36 HG SER 36 -10.623 1.504 -12.476 278 H LEU 37 H LEU 37 -9.150 1.269 -9.021 279 HA LEU 37 HA LEU 37 -7.906 3.358 -7.581 280 HB2 LEU 37 HB2 LEU 37 -10.030 2.315 -6.923 281 HB3 LEU 37 HB3 LEU 37 -9.170 0.824 -6.548 282 HG LEU 37 HG LEU 37 -9.848 2.364 -4.611 283 HD11 LEU 37 HD11 LEU 37 -7.078 2.015 -4.065 284 HD12 LEU 37 HD12 LEU 37 -7.636 0.656 -5.041 285 HD13 LEU 37 HD13 LEU 37 -8.445 1.042 -3.522 286 HD21 LEU 37 HD21 LEU 37 -7.375 3.834 -5.510 287 HD22 LEU 37 HD22 LEU 37 -8.368 4.178 -4.093 288 HD23 LEU 37 HD23 LEU 37 -9.021 4.436 -5.712 289 H LYS 38 H LYS 38 -7.211 -0.104 -7.856 290 HA LYS 38 HA LYS 38 -5.209 -0.344 -5.962 291 HB2 LYS 38 HB2 LYS 38 -4.712 -2.371 -6.929 292 HB3 LYS 38 HB3 LYS 38 -6.313 -2.089 -7.598 293 HG2 LYS 38 HG2 LYS 38 -4.889 -0.935 -9.517 294 HG3 LYS 38 HG3 LYS 38 -3.668 -2.064 -8.925 295 HD2 LYS 38 HD2 LYS 38 -6.450 -3.004 -9.519 296 HD3 LYS 38 HD3 LYS 38 -5.272 -2.810 -10.819 297 HE2 LYS 38 HE2 LYS 38 -4.792 -4.453 -8.339 298 HE3 LYS 38 HE3 LYS 38 -5.400 -5.115 -9.855 299 HZ1 LYS 38 HZ1 LYS 38 -3.098 -3.585 -10.372 300 HZ2 LYS 38 HZ2 LYS 38 -3.338 -5.242 -10.608 301 HZ3 LYS 38 HZ3 LYS 38 -2.751 -4.676 -9.126 302 H LYS 39 H LYS 39 -5.156 1.308 -8.986 303 HA LYS 39 HA LYS 39 -2.497 1.299 -9.700 304 HB2 LYS 39 HB2 LYS 39 -2.959 3.139 -11.014 305 HB3 LYS 39 HB3 LYS 39 -4.577 2.503 -10.747 306 HG2 LYS 39 HG2 LYS 39 -4.901 4.132 -8.938 307 HG3 LYS 39 HG3 LYS 39 -3.294 4.787 -9.259 308 HD2 LYS 39 HD2 LYS 39 -4.088 6.053 -10.908 309 HD3 LYS 39 HD3 LYS 39 -4.807 4.648 -11.697 310 HE2 LYS 39 HE2 LYS 39 -6.860 5.122 -10.928 311 HE3 LYS 39 HE3 LYS 39 -6.262 5.556 -9.327 312 HZ1 LYS 39 HZ1 LYS 39 -7.042 7.553 -10.104 313 HZ2 LYS 39 HZ2 LYS 39 -6.590 7.251 -11.705 314 HZ3 LYS 39 HZ3 LYS 39 -5.415 7.657 -10.558 315 H VAL 40 H VAL 40 -4.077 3.122 -7.140 316 HA VAL 40 HA VAL 40 -1.874 4.799 -6.521 317 HB VAL 40 HB VAL 40 -4.453 4.122 -5.233 318 HG11 VAL 40 HG11 VAL 40 -3.725 5.396 -3.170 319 HG12 VAL 40 HG12 VAL 40 -3.114 3.748 -3.322 320 HG13 VAL 40 HG13 VAL 40 -2.065 5.116 -3.697 321 HG21 VAL 40 HG21 VAL 40 -4.200 6.051 -6.713 322 HG22 VAL 40 HG22 VAL 40 -4.616 6.554 -5.075 323 HG23 VAL 40 HG23 VAL 40 -2.956 6.709 -5.650 324 H LEU 41 H LEU 41 -3.037 1.739 -5.146 325 HA LEU 41 HA LEU 41 -1.119 1.522 -3.108 326 HB2 LEU 41 HB2 LEU 41 -2.759 -0.504 -4.596 327 HB3 LEU 41 HB3 LEU 41 -1.626 -0.976 -3.331 328 HG LEU 41 HG LEU 41 -3.815 -0.900 -2.383 329 HD11 LEU 41 HD11 LEU 41 -1.925 -0.004 -1.042 330 HD12 LEU 41 HD12 LEU 41 -3.498 0.652 -0.586 331 HD13 LEU 41 HD13 LEU 41 -2.386 1.619 -1.554 332 HD21 LEU 41 HD21 LEU 41 -4.700 0.668 -4.175 333 HD22 LEU 41 HD22 LEU 41 -4.066 1.986 -3.190 334 HD23 LEU 41 HD23 LEU 41 -5.307 0.915 -2.538 335 H GLU 42 H GLU 42 -1.159 0.143 -6.389 336 HA GLU 42 HA GLU 42 1.305 -1.172 -6.251 337 HB2 GLU 42 HB2 GLU 42 0.019 0.073 -8.688 338 HB3 GLU 42 HB3 GLU 42 1.260 -1.174 -8.693 339 HG2 GLU 42 HG2 GLU 42 -0.284 -2.713 -7.588 340 HG3 GLU 42 HG3 GLU 42 -1.528 -1.464 -7.598 341 H ASN 43 H ASN 43 0.533 2.076 -7.484 342 HA ASN 43 HA ASN 43 3.035 2.871 -8.310 343 HB2 ASN 43 HB2 ASN 43 0.664 4.323 -7.222 344 HB3 ASN 43 HB3 ASN 43 2.171 5.214 -7.414 345 HD21 ASN 43 HD21 ASN 43 1.526 6.508 -9.064 346 HD22 ASN 43 HD22 ASN 43 1.139 5.928 -10.644 347 H TYR 44 H TYR 44 1.642 3.682 -5.125 348 HA TYR 44 HA TYR 44 4.025 4.616 -3.998 349 HB2 TYR 44 HB2 TYR 44 1.466 3.567 -2.821 350 HB3 TYR 44 HB3 TYR 44 2.813 4.020 -1.784 351 HD1 TYR 44 HD1 TYR 44 3.820 6.421 -2.297 352 HD2 TYR 44 HD2 TYR 44 -0.118 5.172 -3.315 353 HE1 TYR 44 HE1 TYR 44 3.102 8.773 -2.388 354 HE2 TYR 44 HE2 TYR 44 -0.845 7.520 -3.411 355 HH TYR 44 HH TYR 44 1.277 10.099 -3.523 356 H LEU 45 H LEU 45 2.656 1.383 -4.168 357 HA LEU 45 HA LEU 45 4.289 0.083 -2.322 358 HB2 LEU 45 HB2 LEU 45 2.484 -1.146 -3.127 359 HB3 LEU 45 HB3 LEU 45 2.880 -0.800 -4.810 360 HG LEU 45 HG LEU 45 4.698 -2.370 -4.765 361 HD11 LEU 45 HD11 LEU 45 4.479 -3.718 -2.342 362 HD12 LEU 45 HD12 LEU 45 4.477 -2.008 -1.911 363 HD13 LEU 45 HD13 LEU 45 5.802 -2.676 -2.864 364 HD21 LEU 45 HD21 LEU 45 3.486 -4.371 -4.634 365 HD22 LEU 45 HD22 LEU 45 2.278 -3.143 -5.016 366 HD23 LEU 45 HD23 LEU 45 2.427 -3.751 -3.366 367 H GLU 46 H GLU 46 4.849 0.867 -5.718 368 HA GLU 46 HA GLU 46 7.262 -0.573 -6.004 369 HB2 GLU 46 HB2 GLU 46 5.634 0.791 -7.707 370 HB3 GLU 46 HB3 GLU 46 6.990 1.903 -7.580 371 HG2 GLU 46 HG2 GLU 46 7.295 0.436 -9.465 372 HG3 GLU 46 HG3 GLU 46 8.517 0.104 -8.239 373 H GLU 47 H GLU 47 6.512 2.590 -4.731 374 HA GLU 47 HA GLU 47 9.000 3.814 -4.826 375 HB2 GLU 47 HB2 GLU 47 6.988 4.021 -2.580 376 HB3 GLU 47 HB3 GLU 47 8.246 5.187 -2.962 377 HG2 GLU 47 HG2 GLU 47 6.187 4.481 -5.006 378 HG3 GLU 47 HG3 GLU 47 5.810 5.624 -3.718 379 H LEU 48 H LEU 48 7.761 1.404 -2.591 380 HA LEU 48 HA LEU 48 9.678 1.541 -0.588 381 HB2 LEU 48 HB2 LEU 48 8.083 -0.744 -1.701 382 HB3 LEU 48 HB3 LEU 48 9.213 -0.971 -0.368 383 HG LEU 48 HG LEU 48 7.554 1.194 0.344 384 HD11 LEU 48 HD11 LEU 48 5.938 0.548 -1.306 385 HD12 LEU 48 HD12 LEU 48 5.336 0.083 0.285 386 HD13 LEU 48 HD13 LEU 48 6.018 -1.137 -0.790 387 HD21 LEU 48 HD21 LEU 48 8.492 -0.245 1.970 388 HD22 LEU 48 HD22 LEU 48 7.768 -1.674 1.231 389 HD23 LEU 48 HD23 LEU 48 6.747 -0.488 2.046 390 H LYS 49 H LYS 49 9.811 -0.019 -3.738 391 HA LYS 49 HA LYS 49 12.333 -1.303 -3.240 392 HB2 LYS 49 HB2 LYS 49 10.813 -0.825 -5.810 393 HB3 LYS 49 HB3 LYS 49 12.265 -1.808 -5.676 394 HG2 LYS 49 HG2 LYS 49 10.618 -3.401 -5.598 395 HG3 LYS 49 HG3 LYS 49 10.896 -3.102 -3.881 396 HD2 LYS 49 HD2 LYS 49 8.859 -2.180 -3.584 397 HD3 LYS 49 HD3 LYS 49 8.888 -1.365 -5.149 398 HE2 LYS 49 HE2 LYS 49 7.131 -3.103 -4.976 399 HE3 LYS 49 HE3 LYS 49 8.283 -3.401 -6.277 400 HZ1 LYS 49 HZ1 LYS 49 9.128 -4.628 -3.857 401 HZ2 LYS 49 HZ2 LYS 49 8.849 -5.329 -5.371 402 HZ3 LYS 49 HZ3 LYS 49 7.572 -5.145 -4.276 403 H GLN 50 H GLN 50 11.245 1.657 -4.803 404 HA GLN 50 HA GLN 50 13.851 2.333 -5.806 405 HB2 GLN 50 HB2 GLN 50 11.498 4.190 -5.471 406 HB3 GLN 50 HB3 GLN 50 12.855 4.365 -6.576 407 HG2 GLN 50 HG2 GLN 50 12.006 2.126 -7.569 408 HG3 GLN 50 HG3 GLN 50 10.502 2.537 -6.745 409 HE21 GLN 50 HE21 GLN 50 9.381 2.786 -8.665 410 HE22 GLN 50 HE22 GLN 50 9.631 4.133 -9.716 411 H LYS 51 H LYS 51 15.181 4.045 -5.095 412 HA LYS 51 HA LYS 51 15.074 4.454 -2.212 413 HB2 LYS 51 HB2 LYS 51 17.360 5.302 -2.451 414 HB3 LYS 51 HB3 LYS 51 17.189 3.716 -3.194 415 HG2 LYS 51 HG2 LYS 51 16.944 4.850 -5.396 416 HG3 LYS 51 HG3 LYS 51 17.313 6.378 -4.593 417 HD2 LYS 51 HD2 LYS 51 19.410 5.805 -5.292 418 HD3 LYS 51 HD3 LYS 51 19.398 4.996 -3.723 419 HE2 LYS 51 HE2 LYS 51 20.218 3.381 -5.204 420 HE3 LYS 51 HE3 LYS 51 18.520 2.953 -4.986 421 HZ1 LYS 51 HZ1 LYS 51 19.705 4.398 -7.293 422 HZ2 LYS 51 HZ2 LYS 51 18.045 4.159 -7.071 423 HZ3 LYS 51 HZ3 LYS 51 19.068 2.830 -7.297 424 H SER 52 H SER 52 13.514 5.899 -4.514 425 HA SER 52 HA SER 52 14.292 8.655 -4.078 426 HB2 SER 52 HB2 SER 52 11.993 7.450 -5.637 427 HB3 SER 52 HB3 SER 52 12.389 9.169 -5.599 428 HG SER 52 HG SER 52 13.303 8.135 -7.416 429 H ALA 53 H ALA 53 12.688 6.507 -2.246 430 HA ALA 53 HA ALA 53 11.487 8.526 -0.619 431 HB1 ALA 53 HB1 ALA 53 9.647 6.594 -2.026 432 HB2 ALA 53 HB2 ALA 53 9.182 7.703 -0.734 433 HB3 ALA 53 HB3 ALA 53 9.728 8.338 -2.286 434 H SER 54 H SER 54 11.378 7.869 1.459 435 HA SER 54 HA SER 54 12.457 5.301 2.129 436 HB2 SER 54 HB2 SER 54 11.272 7.403 3.957 437 HB3 SER 54 HB3 SER 54 12.297 6.053 4.443 438 HG SER 54 HG SER 54 13.322 8.201 4.113 439 H VAL 55 H VAL 55 11.435 3.754 3.556 440 HA VAL 55 HA VAL 55 9.005 2.803 2.678 441 HB VAL 55 HB VAL 55 10.632 2.321 5.120 442 HG11 VAL 55 HG11 VAL 55 7.733 1.615 4.845 443 HG12 VAL 55 HG12 VAL 55 8.833 0.601 5.782 444 HG13 VAL 55 HG13 VAL 55 8.586 2.289 6.232 445 HG21 VAL 55 HG21 VAL 55 11.304 0.621 3.861 446 HG22 VAL 55 HG22 VAL 55 9.664 -0.032 3.870 447 HG23 VAL 55 HG23 VAL 55 10.161 1.087 2.600 448 HA PRO 56 HA PRO 56 6.815 4.848 6.473 449 HB2 PRO 56 HB2 PRO 56 8.231 6.689 7.879 450 HB3 PRO 56 HB3 PRO 56 8.241 4.965 8.270 451 HG2 PRO 56 HG2 PRO 56 10.250 6.572 6.738 452 HG3 PRO 56 HG3 PRO 56 10.519 5.328 7.972 453 HD2 PRO 56 HD2 PRO 56 10.748 4.824 5.322 454 HD3 PRO 56 HD3 PRO 56 10.194 3.600 6.482 455 H LEU 57 H LEU 57 8.878 6.532 4.290 456 HA LEU 57 HA LEU 57 7.477 9.050 4.472 457 HB2 LEU 57 HB2 LEU 57 9.717 7.964 2.830 458 HB3 LEU 57 HB3 LEU 57 8.866 9.403 2.271 459 HG LEU 57 HG LEU 57 10.309 9.126 4.908 460 HD11 LEU 57 HD11 LEU 57 11.069 10.802 2.528 461 HD12 LEU 57 HD12 LEU 57 11.735 9.200 2.838 462 HD13 LEU 57 HD13 LEU 57 12.005 10.504 3.993 463 HD21 LEU 57 HD21 LEU 57 8.520 11.183 3.755 464 HD22 LEU 57 HD22 LEU 57 9.966 11.756 4.586 465 HD23 LEU 57 HD23 LEU 57 8.805 10.738 5.439 466 H ILE 58 H ILE 58 7.198 6.114 2.693 467 HA ILE 58 HA ILE 58 5.517 7.316 0.638 468 HB ILE 58 HB ILE 58 6.314 4.431 1.048 469 HG12 ILE 58 HG12 ILE 58 7.295 5.965 -1.279 470 HG13 ILE 58 HG13 ILE 58 7.947 6.462 0.279 471 HG21 ILE 58 HG21 ILE 58 4.795 3.898 -0.478 472 HG22 ILE 58 HG22 ILE 58 4.268 5.580 -0.543 473 HG23 ILE 58 HG23 ILE 58 5.542 5.012 -1.622 474 HD11 ILE 58 HD11 ILE 58 8.646 4.133 0.685 475 HD12 ILE 58 HD12 ILE 58 8.076 3.712 -0.931 476 HD13 ILE 58 HD13 ILE 58 9.407 4.852 -0.734 477 H LEU 59 H LEU 59 5.258 4.989 3.300 478 HA LEU 59 HA LEU 59 2.589 4.270 2.973 479 HB2 LEU 59 HB2 LEU 59 4.187 4.550 5.512 480 HB3 LEU 59 HB3 LEU 59 2.631 3.731 5.389 481 HG LEU 59 HG LEU 59 5.078 2.863 3.860 482 HD11 LEU 59 HD11 LEU 59 4.963 0.986 5.669 483 HD12 LEU 59 HD12 LEU 59 4.188 2.239 6.637 484 HD13 LEU 59 HD13 LEU 59 5.814 2.493 6.005 485 HD21 LEU 59 HD21 LEU 59 3.492 1.686 2.801 486 HD22 LEU 59 HD22 LEU 59 2.291 1.986 4.057 487 HD23 LEU 59 HD23 LEU 59 3.475 0.693 4.259 488 H SER 60 H SER 60 4.016 7.132 4.375 489 HA SER 60 HA SER 60 1.732 8.086 5.737 490 HB2 SER 60 HB2 SER 60 2.891 10.270 5.720 491 HB3 SER 60 HB3 SER 60 3.969 8.960 6.205 492 HG SER 60 HG SER 60 5.199 9.648 4.654 493 H ARG 61 H ARG 61 3.115 9.125 2.614 494 HA ARG 61 HA ARG 61 0.921 10.742 1.893 495 HB2 ARG 61 HB2 ARG 61 3.274 9.593 0.469 496 HB3 ARG 61 HB3 ARG 61 1.951 10.227 -0.501 497 HG2 ARG 61 HG2 ARG 61 3.731 11.876 -0.119 498 HG3 ARG 61 HG3 ARG 61 2.175 12.394 0.532 499 HD2 ARG 61 HD2 ARG 61 2.881 11.654 2.765 500 HD3 ARG 61 HD3 ARG 61 4.445 11.176 2.103 501 HE ARG 61 HE ARG 61 4.166 13.813 1.422 502 HH11 ARG 61 HH11 ARG 61 4.124 11.996 4.391 503 HH12 ARG 61 HH12 ARG 61 4.749 13.298 5.349 504 HH21 ARG 61 HH21 ARG 61 4.989 15.534 2.671 505 HH22 ARG 61 HH22 ARG 61 5.239 15.310 4.370 506 H MET 62 H MET 62 1.698 7.360 1.255 507 HA MET 62 HA MET 62 -0.200 6.750 -0.659 508 HB2 MET 62 HB2 MET 62 1.482 5.146 0.027 509 HB3 MET 62 HB3 MET 62 0.788 5.054 1.639 510 HG2 MET 62 HG2 MET 62 -1.266 4.105 0.675 511 HG3 MET 62 HG3 MET 62 -0.511 4.141 -0.917 512 HE1 MET 62 HE1 MET 62 0.439 1.353 2.580 513 HE2 MET 62 HE2 MET 62 -0.149 3.011 2.694 514 HE3 MET 62 HE3 MET 62 -1.203 1.743 2.068 515 H ASN 63 H ASN 63 -0.598 6.249 2.855 516 HA ASN 63 HA ASN 63 -3.288 5.598 2.831 517 HB2 ASN 63 HB2 ASN 63 -1.714 7.066 4.958 518 HB3 ASN 63 HB3 ASN 63 -3.311 6.366 5.204 519 HD21 ASN 63 HD21 ASN 63 -3.164 3.989 3.958 520 HD22 ASN 63 HD22 ASN 63 -1.963 2.990 4.693 521 H LEU 64 H LEU 64 -1.801 8.806 3.184 522 HA LEU 64 HA LEU 64 -4.198 10.249 3.460 523 HB2 LEU 64 HB2 LEU 64 -1.395 10.914 2.725 524 HB3 LEU 64 HB3 LEU 64 -2.644 12.116 2.411 525 HG LEU 64 HG LEU 64 -1.398 12.398 4.567 526 HD11 LEU 64 HD11 LEU 64 -3.458 12.792 5.909 527 HD12 LEU 64 HD12 LEU 64 -4.381 11.988 4.639 528 HD13 LEU 64 HD13 LEU 64 -3.512 13.481 4.286 529 HD21 LEU 64 HD21 LEU 64 -3.045 10.256 5.782 530 HD22 LEU 64 HD22 LEU 64 -1.460 10.876 6.251 531 HD23 LEU 64 HD23 LEU 64 -1.607 9.762 4.890 532 H ASP 65 H ASP 65 -2.818 8.704 0.762 533 HA ASP 65 HA ASP 65 -4.214 10.381 -1.174 534 HB2 ASP 65 HB2 ASP 65 -1.855 9.426 -1.516 535 HB3 ASP 65 HB3 ASP 65 -2.651 7.880 -1.793 536 H ILE 66 H ILE 66 -4.151 6.977 -0.141 537 HA ILE 66 HA ILE 66 -6.217 6.046 -1.764 538 HB ILE 66 HB ILE 66 -5.529 5.092 1.018 539 HG12 ILE 66 HG12 ILE 66 -4.527 4.026 -1.626 540 HG13 ILE 66 HG13 ILE 66 -3.626 5.175 -0.644 541 HG21 ILE 66 HG21 ILE 66 -7.599 4.332 -0.740 542 HG22 ILE 66 HG22 ILE 66 -6.405 3.036 -0.757 543 HG23 ILE 66 HG23 ILE 66 -7.115 3.559 0.769 544 HD11 ILE 66 HD11 ILE 66 -4.363 2.346 0.035 545 HD12 ILE 66 HD12 ILE 66 -2.752 3.038 -0.172 546 HD13 ILE 66 HD13 ILE 66 -3.736 3.493 1.220 547 H SER 67 H SER 67 -6.353 7.345 1.541 548 HA SER 67 HA SER 67 -9.037 7.000 2.072 549 HB2 SER 67 HB2 SER 67 -7.303 7.882 3.665 550 HB3 SER 67 HB3 SER 67 -7.434 9.443 2.856 551 HG SER 67 HG SER 67 -9.086 8.294 4.691 552 H LYS 68 H LYS 68 -7.467 9.481 0.140 553 HA LYS 68 HA LYS 68 -9.719 11.161 -0.182 554 HB2 LYS 68 HB2 LYS 68 -7.034 10.922 -1.330 555 HB3 LYS 68 HB3 LYS 68 -8.228 11.538 -2.465 556 HG2 LYS 68 HG2 LYS 68 -8.814 13.314 -0.906 557 HG3 LYS 68 HG3 LYS 68 -7.645 12.686 0.259 558 HD2 LYS 68 HD2 LYS 68 -6.380 14.315 -0.733 559 HD3 LYS 68 HD3 LYS 68 -5.992 12.952 -1.784 560 HE2 LYS 68 HE2 LYS 68 -8.331 14.673 -2.456 561 HE3 LYS 68 HE3 LYS 68 -6.708 15.281 -2.779 562 HZ1 LYS 68 HZ1 LYS 68 -8.165 13.108 -4.057 563 HZ2 LYS 68 HZ2 LYS 68 -6.506 12.865 -3.830 564 HZ3 LYS 68 HZ3 LYS 68 -7.053 14.200 -4.714 565 H ALA 69 H ALA 69 -8.417 8.504 -2.135 566 HA ALA 69 HA ALA 69 -10.166 8.680 -4.298 567 HB1 ALA 69 HB1 ALA 69 -9.569 6.405 -4.799 568 HB2 ALA 69 HB2 ALA 69 -8.140 7.256 -4.209 569 HB3 ALA 69 HB3 ALA 69 -9.007 6.147 -3.146 570 H ILE 70 H ILE 70 -10.740 7.669 -1.066 571 HA ILE 70 HA ILE 70 -12.994 5.995 -1.561 572 HB ILE 70 HB ILE 70 -12.507 7.509 0.993 573 HG12 ILE 70 HG12 ILE 70 -11.146 5.002 -0.002 574 HG13 ILE 70 HG13 ILE 70 -10.382 6.522 0.449 575 HG21 ILE 70 HG21 ILE 70 -13.671 4.775 0.485 576 HG22 ILE 70 HG22 ILE 70 -13.598 5.626 2.029 577 HG23 ILE 70 HG23 ILE 70 -14.616 6.245 0.728 578 HD11 ILE 70 HD11 ILE 70 -10.042 4.881 2.174 579 HD12 ILE 70 HD12 ILE 70 -11.103 6.158 2.772 580 HD13 ILE 70 HD13 ILE 70 -11.779 4.601 2.294 581 H ARG 71 H ARG 71 -12.918 9.172 0.061 582 HA ARG 71 HA ARG 71 -15.651 9.683 -0.207 583 HB2 ARG 71 HB2 ARG 71 -13.854 10.866 1.243 584 HB3 ARG 71 HB3 ARG 71 -13.609 11.885 -0.169 585 HG2 ARG 71 HG2 ARG 71 -15.787 12.754 -0.054 586 HG3 ARG 71 HG3 ARG 71 -16.316 11.495 1.062 587 HD2 ARG 71 HD2 ARG 71 -14.119 13.386 1.815 588 HD3 ARG 71 HD3 ARG 71 -15.809 13.860 1.979 589 HE ARG 71 HE ARG 71 -15.375 11.347 3.197 590 HH11 ARG 71 HH11 ARG 71 -14.751 14.743 3.642 591 HH12 ARG 71 HH12 ARG 71 -14.699 14.640 5.371 592 HH21 ARG 71 HH21 ARG 71 -15.309 11.199 5.472 593 HH22 ARG 71 HH22 ARG 71 -15.016 12.623 6.410 594 H ASN 72 H ASN 72 -12.944 10.951 -2.152 595 HA ASN 72 HA ASN 72 -14.355 12.449 -3.976 596 HB2 ASN 72 HB2 ASN 72 -11.803 10.884 -4.175 597 HB3 ASN 72 HB3 ASN 72 -12.456 11.677 -5.606 598 HD21 ASN 72 HD21 ASN 72 -11.508 12.264 -2.257 599 HD22 ASN 72 HD22 ASN 72 -10.999 13.897 -2.501 600 H ASP 73 H ASP 73 -13.058 9.293 -4.956 601 HA ASP 73 HA ASP 73 -14.752 8.890 -7.099 602 HB2 ASP 73 HB2 ASP 73 -13.740 6.632 -5.377 603 HB3 ASP 73 HB3 ASP 73 -14.033 6.627 -7.114 604 H GLY 74 H GLY 74 -15.090 7.325 -3.904 605 HA2 GLY 74 HA2 GLY 74 -17.292 7.506 -2.800 606 HA3 GLY 74 HA3 GLY 74 -18.005 7.262 -4.387 607 H VAL 75 H VAL 75 -15.199 5.440 -3.499 608 HA VAL 75 HA VAL 75 -16.749 2.987 -3.654 609 HB VAL 75 HB VAL 75 -14.534 1.858 -3.539 610 HG11 VAL 75 HG11 VAL 75 -14.140 2.156 -5.762 611 HG12 VAL 75 HG12 VAL 75 -15.709 2.955 -5.652 612 HG13 VAL 75 HG13 VAL 75 -14.227 3.914 -5.656 613 HG21 VAL 75 HG21 VAL 75 -12.499 3.153 -3.649 614 HG22 VAL 75 HG22 VAL 75 -13.415 4.659 -3.611 615 HG23 VAL 75 HG23 VAL 75 -13.400 3.602 -2.199 616 H THR 76 H THR 76 -15.652 1.202 -2.085 617 HA THR 76 HA THR 76 -15.358 2.230 0.621 618 HB THR 76 HB THR 76 -17.485 0.160 0.082 619 HG1 THR 76 HG1 THR 76 -18.958 1.750 -0.027 620 HG21 THR 76 HG21 THR 76 -18.216 1.121 2.381 621 HG22 THR 76 HG22 THR 76 -16.561 1.725 2.464 622 HG23 THR 76 HG23 THR 76 -16.862 -0.006 2.315 623 H LEU 77 H LEU 77 -13.829 1.111 1.635 624 HA LEU 77 HA LEU 77 -12.687 -1.227 0.447 625 HB2 LEU 77 HB2 LEU 77 -12.145 0.084 3.106 626 HB3 LEU 77 HB3 LEU 77 -11.165 -1.187 2.380 627 HG LEU 77 HG LEU 77 -11.234 0.796 0.444 628 HD11 LEU 77 HD11 LEU 77 -12.083 2.090 2.664 629 HD12 LEU 77 HD12 LEU 77 -11.178 2.847 1.354 630 HD13 LEU 77 HD13 LEU 77 -10.336 2.297 2.802 631 HD21 LEU 77 HD21 LEU 77 -9.377 -0.735 1.432 632 HD22 LEU 77 HD22 LEU 77 -9.040 0.651 2.468 633 HD23 LEU 77 HD23 LEU 77 -8.942 0.815 0.714 634 H SER 78 H SER 78 -12.778 -3.332 1.106 635 HA SER 78 HA SER 78 -15.083 -4.124 2.605 636 HB2 SER 78 HB2 SER 78 -12.944 -5.498 1.068 637 HB3 SER 78 HB3 SER 78 -13.759 -6.443 2.313 638 HG SER 78 HG SER 78 -14.640 -6.216 -0.018 639 H ASP 79 H ASP 79 -14.732 -5.987 4.272 640 HA ASP 79 HA ASP 79 -13.714 -4.920 6.602 641 HB2 ASP 79 HB2 ASP 79 -14.316 -7.736 5.754 642 HB3 ASP 79 HB3 ASP 79 -13.613 -7.419 7.338 643 H TYR 80 H TYR 80 -12.209 -7.656 4.876 644 HA TYR 80 HA TYR 80 -9.804 -7.658 6.236 645 HB2 TYR 80 HB2 TYR 80 -8.881 -8.880 4.330 646 HB3 TYR 80 HB3 TYR 80 -10.509 -9.445 4.695 647 HD1 TYR 80 HD1 TYR 80 -12.416 -8.671 3.244 648 HD2 TYR 80 HD2 TYR 80 -8.346 -8.000 2.206 649 HE1 TYR 80 HE1 TYR 80 -13.085 -8.266 0.912 650 HE2 TYR 80 HE2 TYR 80 -9.001 -7.591 -0.129 651 HH TYR 80 HH TYR 80 -12.380 -7.427 -1.086 652 H GLN 81 H GLN 81 -10.790 -5.724 3.463 653 HA GLN 81 HA GLN 81 -8.299 -4.653 2.779 654 HB2 GLN 81 HB2 GLN 81 -11.131 -3.768 2.412 655 HB3 GLN 81 HB3 GLN 81 -9.832 -2.645 2.030 656 HG2 GLN 81 HG2 GLN 81 -8.871 -4.453 0.556 657 HG3 GLN 81 HG3 GLN 81 -10.389 -5.319 0.787 658 HE21 GLN 81 HE21 GLN 81 -10.627 -5.150 -1.515 659 HE22 GLN 81 HE22 GLN 81 -11.245 -3.695 -2.214 660 H SER 82 H SER 82 -10.864 -2.886 4.512 661 HA SER 82 HA SER 82 -9.333 -0.787 5.414 662 HB2 SER 82 HB2 SER 82 -11.052 -0.363 7.041 663 HB3 SER 82 HB3 SER 82 -11.836 -1.016 5.603 664 HG SER 82 HG SER 82 -12.328 -1.903 7.854 665 H LYS 83 H LYS 83 -9.622 -4.016 6.744 666 HA LYS 83 HA LYS 83 -8.363 -3.515 9.225 667 HB2 LYS 83 HB2 LYS 83 -9.105 -5.895 7.633 668 HB3 LYS 83 HB3 LYS 83 -7.791 -6.124 8.781 669 HG2 LYS 83 HG2 LYS 83 -9.301 -5.158 10.542 670 HG3 LYS 83 HG3 LYS 83 -10.607 -5.244 9.357 671 HD2 LYS 83 HD2 LYS 83 -10.755 -7.216 10.663 672 HD3 LYS 83 HD3 LYS 83 -10.060 -7.697 9.113 673 HE2 LYS 83 HE2 LYS 83 -7.924 -7.957 10.020 674 HE3 LYS 83 HE3 LYS 83 -8.310 -6.991 11.442 675 HZ1 LYS 83 HZ1 LYS 83 -8.960 -9.792 10.868 676 HZ2 LYS 83 HZ2 LYS 83 -10.017 -8.904 11.844 677 HZ3 LYS 83 HZ3 LYS 83 -8.400 -9.090 12.302 678 H LYS 84 H LYS 84 -7.094 -4.887 6.191 679 HA LYS 84 HA LYS 84 -4.436 -5.152 7.019 680 HB2 LYS 84 HB2 LYS 84 -3.967 -5.710 4.845 681 HB3 LYS 84 HB3 LYS 84 -5.711 -5.930 4.836 682 HG2 LYS 84 HG2 LYS 84 -5.565 -4.675 2.974 683 HG3 LYS 84 HG3 LYS 84 -5.588 -3.345 4.135 684 HD2 LYS 84 HD2 LYS 84 -3.009 -3.654 4.148 685 HD3 LYS 84 HD3 LYS 84 -3.276 -4.504 2.624 686 HE2 LYS 84 HE2 LYS 84 -4.784 -2.226 2.327 687 HE3 LYS 84 HE3 LYS 84 -3.382 -1.650 3.230 688 HZ1 LYS 84 HZ1 LYS 84 -2.065 -1.892 1.464 689 HZ2 LYS 84 HZ2 LYS 84 -3.484 -1.983 0.550 690 HZ3 LYS 84 HZ3 LYS 84 -2.708 -3.402 1.049 691 H LEU 85 H LEU 85 -6.256 -2.357 6.237 692 HA LEU 85 HA LEU 85 -4.173 -0.652 5.376 693 HB2 LEU 85 HB2 LEU 85 -6.928 -0.468 5.760 694 HB3 LEU 85 HB3 LEU 85 -6.237 0.725 6.858 695 HG LEU 85 HG LEU 85 -4.902 1.444 4.702 696 HD11 LEU 85 HD11 LEU 85 -5.559 -0.145 3.132 697 HD12 LEU 85 HD12 LEU 85 -6.559 1.259 2.752 698 HD13 LEU 85 HD13 LEU 85 -7.246 -0.097 3.648 699 HD21 LEU 85 HD21 LEU 85 -7.792 2.109 5.249 700 HD22 LEU 85 HD22 LEU 85 -6.726 3.042 4.198 701 HD23 LEU 85 HD23 LEU 85 -6.372 2.911 5.922 702 H LYS 86 H LYS 86 -5.364 -1.575 8.541 703 HA LYS 86 HA LYS 86 -3.944 0.416 10.000 704 HB2 LYS 86 HB2 LYS 86 -4.687 -0.674 11.940 705 HB3 LYS 86 HB3 LYS 86 -5.963 -0.967 10.766 706 HG2 LYS 86 HG2 LYS 86 -5.792 -3.098 11.392 707 HG3 LYS 86 HG3 LYS 86 -4.341 -3.129 10.386 708 HD2 LYS 86 HD2 LYS 86 -3.376 -3.869 12.291 709 HD3 LYS 86 HD3 LYS 86 -3.305 -2.146 12.668 710 HE2 LYS 86 HE2 LYS 86 -5.784 -3.609 13.388 711 HE3 LYS 86 HE3 LYS 86 -4.340 -3.939 14.344 712 HZ1 LYS 86 HZ1 LYS 86 -6.051 -1.673 14.404 713 HZ2 LYS 86 HZ2 LYS 86 -4.456 -1.201 14.099 714 HZ3 LYS 86 HZ3 LYS 86 -4.818 -2.111 15.477 715 H GLU 87 H GLU 87 -2.903 -2.267 8.307 716 HA GLU 87 HA GLU 87 -0.910 -3.359 9.932 717 HB2 GLU 87 HB2 GLU 87 -1.083 -3.083 6.932 718 HB3 GLU 87 HB3 GLU 87 0.185 -3.991 7.743 719 HG2 GLU 87 HG2 GLU 87 -2.680 -4.604 8.304 720 HG3 GLU 87 HG3 GLU 87 -1.910 -5.218 6.843 721 H LEU 88 H LEU 88 -0.079 -1.395 7.102 722 HA LEU 88 HA LEU 88 2.401 -0.580 8.161 723 HB2 LEU 88 HB2 LEU 88 2.223 1.176 6.287 724 HB3 LEU 88 HB3 LEU 88 2.298 -0.531 5.853 725 HG LEU 88 HG LEU 88 0.633 1.031 4.628 726 HD11 LEU 88 HD11 LEU 88 -1.035 -1.163 5.318 727 HD12 LEU 88 HD12 LEU 88 0.637 -1.724 5.285 728 HD13 LEU 88 HD13 LEU 88 -0.055 -0.933 3.870 729 HD21 LEU 88 HD21 LEU 88 -1.051 0.353 7.029 730 HD22 LEU 88 HD22 LEU 88 -1.483 1.357 5.644 731 HD23 LEU 88 HD23 LEU 88 -0.278 1.922 6.802 732 H THR 89 H THR 89 -0.690 0.412 8.944 733 HA THR 89 HA THR 89 -0.328 3.186 9.351 734 HB THR 89 HB THR 89 -2.242 1.217 10.603 735 HG1 THR 89 HG1 THR 89 -3.711 2.413 9.226 736 HG21 THR 89 HG21 THR 89 -2.190 2.854 12.249 737 HG22 THR 89 HG22 THR 89 -3.478 3.431 11.190 738 HG23 THR 89 HG23 THR 89 -1.868 4.147 11.096 739 H SER 90 H SER 90 -0.110 0.426 11.589 740 HA SER 90 HA SER 90 0.753 2.047 13.783 741 HB2 SER 90 HB2 SER 90 -0.436 -0.276 13.813 742 HB3 SER 90 HB3 SER 90 1.197 -0.920 13.648 743 HG SER 90 HG SER 90 0.056 0.529 15.765 744 H ILE 91 H ILE 91 2.320 0.283 11.225 745 HA ILE 91 HA ILE 91 4.910 0.173 12.393 746 HB ILE 91 HB ILE 91 4.132 0.086 9.475 747 HG12 ILE 91 HG12 ILE 91 4.773 -2.215 11.325 748 HG13 ILE 91 HG13 ILE 91 3.132 -1.675 10.992 749 HG21 ILE 91 HG21 ILE 91 6.688 0.178 10.763 750 HG22 ILE 91 HG22 ILE 91 6.480 -1.379 9.961 751 HG23 ILE 91 HG23 ILE 91 6.309 0.117 9.042 752 HD11 ILE 91 HD11 ILE 91 4.998 -3.211 9.320 753 HD12 ILE 91 HD12 ILE 91 3.237 -3.266 9.413 754 HD13 ILE 91 HD13 ILE 91 4.033 -1.995 8.483 755 H SER 92 H SER 92 3.206 2.532 10.435 756 HA SER 92 HA SER 92 5.487 4.133 9.836 757 HB2 SER 92 HB2 SER 92 3.578 5.896 9.435 758 HB3 SER 92 HB3 SER 92 3.749 4.519 8.348 759 HG SER 92 HG SER 92 1.705 4.276 8.849 760 H ASN 93 H ASN 93 5.571 6.480 10.541 761 HA ASN 93 HA ASN 93 5.631 6.536 13.431 762 HB2 ASN 93 HB2 ASN 93 6.561 8.444 11.290 763 HB3 ASN 93 HB3 ASN 93 6.600 8.869 12.999 764 HD21 ASN 93 HD21 ASN 93 8.300 7.522 10.492 765 HD22 ASN 93 HD22 ASN 93 9.528 6.711 11.398 766 H ILE 94 H ILE 94 4.299 8.731 10.950 767 HA ILE 94 HA ILE 94 2.549 10.189 10.997 768 HB ILE 94 HB ILE 94 1.281 8.229 12.905 769 HG12 ILE 94 HG12 ILE 94 2.196 7.066 10.924 770 HG13 ILE 94 HG13 ILE 94 0.436 7.043 10.950 771 HG21 ILE 94 HG21 ILE 94 0.325 10.496 11.260 772 HG22 ILE 94 HG22 ILE 94 -0.715 9.076 11.355 773 HG23 ILE 94 HG23 ILE 94 -0.234 9.916 12.828 774 HD11 ILE 94 HD11 ILE 94 0.362 8.812 9.305 775 HD12 ILE 94 HD12 ILE 94 2.122 8.927 9.318 776 HD13 ILE 94 HD13 ILE 94 1.337 7.466 8.717 777 H ARG 95 H ARG 95 4.205 11.474 12.328 778 HA ARG 95 HA ARG 95 3.498 11.815 15.122 779 HB2 ARG 95 HB2 ARG 95 5.343 13.421 15.179 780 HB3 ARG 95 HB3 ARG 95 5.854 11.898 14.464 781 HG2 ARG 95 HG2 ARG 95 6.772 13.254 12.924 782 HG3 ARG 95 HG3 ARG 95 5.145 13.228 12.243 783 HD2 ARG 95 HD2 ARG 95 4.648 15.343 13.001 784 HD3 ARG 95 HD3 ARG 95 5.814 15.257 14.321 785 HE ARG 95 HE ARG 95 7.181 15.211 11.863 786 HH11 ARG 95 HH11 ARG 95 5.341 17.367 13.884 787 HH12 ARG 95 HH12 ARG 95 6.150 18.793 13.323 788 HH21 ARG 95 HH21 ARG 95 8.252 17.081 11.116 789 HH22 ARG 95 HH22 ARG 95 7.804 18.629 11.748 790 H TYR 96 H TYR 96 2.996 13.408 12.060 791 HA TYR 96 HA TYR 96 1.876 15.779 13.316 792 HB2 TYR 96 HB2 TYR 96 1.579 16.588 11.005 793 HB3 TYR 96 HB3 TYR 96 3.235 16.079 11.313 794 HD1 TYR 96 HD2 TYR 96 0.114 15.253 9.557 795 HD2 TYR 96 HD1 TYR 96 4.186 14.183 10.172 796 HE1 TYR 96 HE2 TYR 96 0.012 13.762 7.603 797 HE2 TYR 96 HE1 TYR 96 4.096 12.691 8.219 798 HH TYR 96 HH TYR 96 1.741 12.809 5.923 799 H GLY 97 H GLY 97 0.829 12.811 11.848 800 HA2 GLY 97 HA2 GLY 97 -1.780 13.444 11.108 801 HA3 GLY 97 HA3 GLY 97 -1.249 11.858 11.650 802 H TYR 98 H TYR 98 -0.463 12.724 14.290 803 HA TYR 98 HA TYR 98 -3.114 13.318 15.433 804 HB2 TYR 98 HB2 TYR 98 -1.030 11.577 16.746 805 HB3 TYR 98 HB3 TYR 98 -2.719 11.772 17.202 806 HD1 TYR 98 HD2 TYR 98 -4.080 11.476 14.611 807 HD2 TYR 98 HD1 TYR 98 -0.797 9.316 16.239 808 HE1 TYR 98 HE2 TYR 98 -4.682 9.531 13.229 809 HE2 TYR 98 HE1 TYR 98 -1.388 7.366 14.862 810 HH TYR 98 HH TYR 98 -3.425 7.500 12.266 Start of MODEL 16 1 H1 MET 1 H MET 1 -1.835 -16.972 -6.359 2 HA MET 1 HA MET 1 -3.059 -19.211 -7.232 3 HB2 MET 1 HB2 MET 1 -0.976 -19.616 -8.655 4 HB3 MET 1 HB3 MET 1 -1.744 -18.041 -8.794 5 HG2 MET 1 HG2 MET 1 -0.029 -16.955 -7.738 6 HG3 MET 1 HG3 MET 1 0.469 -18.386 -6.841 7 HE1 MET 1 HE1 MET 1 1.135 -16.132 -9.865 8 HE2 MET 1 HE2 MET 1 1.642 -17.251 -11.129 9 HE3 MET 1 HE3 MET 1 -0.032 -17.248 -10.573 10 H GLY 2 H GLY 2 -3.341 -20.731 -5.571 11 HA2 GLY 2 HA2 GLY 2 -2.861 -22.699 -4.487 12 HA3 GLY 2 HA3 GLY 2 -1.438 -22.821 -5.510 13 H LYS 3 H LYS 3 -1.763 -19.975 -3.609 14 HA LYS 3 HA LYS 3 -0.152 -21.054 -1.430 15 HB2 LYS 3 HB2 LYS 3 1.566 -20.370 -2.948 16 HB3 LYS 3 HB3 LYS 3 0.754 -18.845 -3.275 17 HG2 LYS 3 HG2 LYS 3 2.655 -18.483 -1.836 18 HG3 LYS 3 HG3 LYS 3 1.162 -18.146 -0.958 19 HD2 LYS 3 HD2 LYS 3 2.528 -19.380 0.527 20 HD3 LYS 3 HD3 LYS 3 1.309 -20.511 -0.065 21 HE2 LYS 3 HE2 LYS 3 3.277 -21.734 -0.218 22 HE3 LYS 3 HE3 LYS 3 3.067 -21.115 -1.855 23 HZ1 LYS 3 HZ1 LYS 3 5.340 -20.912 -0.542 24 HZ2 LYS 3 HZ2 LYS 3 4.621 -19.476 -0.011 25 HZ3 LYS 3 HZ3 LYS 3 4.843 -19.750 -1.665 26 H LEU 4 H LEU 4 -1.097 -20.404 0.378 27 HA LEU 4 HA LEU 4 -3.114 -18.530 0.598 28 HB2 LEU 4 HB2 LEU 4 -1.162 -19.599 2.613 29 HB3 LEU 4 HB3 LEU 4 -2.435 -18.466 3.060 30 HG LEU 4 HG LEU 4 -2.838 -21.224 1.903 31 HD11 LEU 4 HD11 LEU 4 -3.781 -20.407 4.597 32 HD12 LEU 4 HD12 LEU 4 -2.067 -20.768 4.390 33 HD13 LEU 4 HD13 LEU 4 -3.280 -21.990 4.003 34 HD21 LEU 4 HD21 LEU 4 -4.814 -19.126 2.791 35 HD22 LEU 4 HD22 LEU 4 -5.222 -20.804 2.430 36 HD23 LEU 4 HD23 LEU 4 -4.594 -19.755 1.158 37 H LYS 5 H LYS 5 -3.243 -16.379 1.056 38 HA LYS 5 HA LYS 5 -0.708 -14.882 0.968 39 HB2 LYS 5 HB2 LYS 5 -2.237 -12.967 0.223 40 HB3 LYS 5 HB3 LYS 5 -1.945 -14.263 -0.930 41 HG2 LYS 5 HG2 LYS 5 -4.320 -14.489 0.833 42 HG3 LYS 5 HG3 LYS 5 -4.364 -13.304 -0.474 43 HD2 LYS 5 HD2 LYS 5 -3.433 -15.387 -1.851 44 HD3 LYS 5 HD3 LYS 5 -4.293 -16.270 -0.588 45 HE2 LYS 5 HE2 LYS 5 -6.194 -14.522 -1.186 46 HE3 LYS 5 HE3 LYS 5 -5.343 -14.496 -2.729 47 HZ1 LYS 5 HZ1 LYS 5 -7.101 -16.141 -2.734 48 HZ2 LYS 5 HZ2 LYS 5 -6.429 -16.912 -1.387 49 HZ3 LYS 5 HZ3 LYS 5 -5.594 -16.901 -2.858 50 H TRP 6 H TRP 6 -2.897 -15.925 3.122 51 HA TRP 6 HA TRP 6 -3.313 -13.494 4.619 52 HB2 TRP 6 HB2 TRP 6 -3.879 -16.394 5.260 53 HB3 TRP 6 HB3 TRP 6 -4.286 -15.055 6.329 54 HD1 TRP 6 HD1 TRP 6 -5.570 -16.969 3.384 55 HE1 TRP 6 HE1 TRP 6 -7.794 -15.952 2.580 56 HE3 TRP 6 HE3 TRP 6 -5.504 -12.632 6.091 57 HZ2 TRP 6 HZ2 TRP 6 -9.318 -13.620 3.034 58 HZ3 TRP 6 HZ3 TRP 6 -7.382 -11.062 5.848 59 HH2 TRP 6 HH2 TRP 6 -9.248 -11.548 4.351 60 H PHE 7 H PHE 7 -0.771 -13.347 4.419 61 HA PHE 7 HA PHE 7 0.579 -14.788 6.558 62 HB2 PHE 7 HB2 PHE 7 1.577 -12.818 4.493 63 HB3 PHE 7 HB3 PHE 7 2.601 -13.545 5.728 64 HD1 PHE 7 HD2 PHE 7 1.915 -16.291 5.815 65 HD2 PHE 7 HD1 PHE 7 2.051 -13.705 2.437 66 HE1 PHE 7 HE2 PHE 7 2.305 -18.229 4.351 67 HE2 PHE 7 HE1 PHE 7 2.439 -15.639 0.967 68 HZ PHE 7 HZ PHE 7 2.568 -17.905 1.924 69 H SER 8 H SER 8 -0.431 -13.909 8.387 70 HA SER 8 HA SER 8 -0.620 -11.121 8.878 71 HB2 SER 8 HB2 SER 8 -1.939 -13.020 9.999 72 HB3 SER 8 HB3 SER 8 -0.523 -13.234 11.027 73 HG SER 8 HG SER 8 -2.208 -10.975 10.800 74 H GLY 9 H GLY 9 1.384 -10.167 8.538 75 HA2 GLY 9 HA2 GLY 9 3.110 -9.184 9.973 76 HA3 GLY 9 HA3 GLY 9 3.405 -10.800 10.598 77 H GLY 10 H GLY 10 5.647 -9.925 9.947 78 HA2 GLY 10 HA2 GLY 10 6.390 -11.297 7.527 79 HA3 GLY 10 HA3 GLY 10 6.568 -9.553 7.411 80 H LYS 11 H LYS 11 8.781 -11.028 7.071 81 HA LYS 11 HA LYS 11 10.198 -11.392 9.556 82 HB2 LYS 11 HB2 LYS 11 12.071 -12.063 8.175 83 HB3 LYS 11 HB3 LYS 11 10.605 -12.839 7.589 84 HG2 LYS 11 HG2 LYS 11 10.577 -10.684 6.024 85 HG3 LYS 11 HG3 LYS 11 12.315 -10.793 6.311 86 HD2 LYS 11 HD2 LYS 11 12.408 -12.995 5.420 87 HD3 LYS 11 HD3 LYS 11 10.647 -13.130 5.397 88 HE2 LYS 11 HE2 LYS 11 11.900 -10.920 3.855 89 HE3 LYS 11 HE3 LYS 11 12.051 -12.556 3.218 90 HZ1 LYS 11 HZ1 LYS 11 10.097 -11.426 2.347 91 HZ2 LYS 11 HZ2 LYS 11 9.496 -11.211 3.913 92 HZ3 LYS 11 HZ3 LYS 11 9.651 -12.769 3.273 93 H GLU 12 H GLU 12 9.330 -8.709 7.908 94 HA GLU 12 HA GLU 12 11.263 -7.075 9.254 95 HB2 GLU 12 HB2 GLU 12 11.467 -7.563 6.319 96 HB3 GLU 12 HB3 GLU 12 11.774 -5.936 6.910 97 HG2 GLU 12 HG2 GLU 12 13.380 -7.094 8.567 98 HG3 GLU 12 HG3 GLU 12 13.285 -8.455 7.451 99 H ARG 13 H ARG 13 10.628 -4.925 9.407 100 HA ARG 13 HA ARG 13 7.846 -4.437 9.066 101 HB2 ARG 13 HB2 ARG 13 8.442 -2.119 9.843 102 HB3 ARG 13 HB3 ARG 13 8.935 -3.414 10.925 103 HG2 ARG 13 HG2 ARG 13 11.041 -2.847 9.067 104 HG3 ARG 13 HG3 ARG 13 10.517 -1.362 9.865 105 HD2 ARG 13 HD2 ARG 13 11.009 -2.197 11.994 106 HD3 ARG 13 HD3 ARG 13 11.054 -3.865 11.426 107 HE ARG 13 HE ARG 13 13.239 -3.564 10.786 108 HH11 ARG 13 HH11 ARG 13 11.797 -0.479 11.513 109 HH12 ARG 13 HH12 ARG 13 13.297 0.384 11.448 110 HH21 ARG 13 HH21 ARG 13 15.221 -2.438 10.697 111 HH22 ARG 13 HH22 ARG 13 15.244 -0.731 10.982 112 H SER 14 H SER 14 10.726 -3.584 7.265 113 HA SER 14 HA SER 14 9.481 -1.635 5.599 114 HB2 SER 14 HB2 SER 14 11.957 -3.242 4.950 115 HB3 SER 14 HB3 SER 14 11.515 -1.650 4.332 116 HG SER 14 HG SER 14 11.695 -0.900 6.532 117 H ASN 15 H ASN 15 10.316 -5.060 5.162 118 HA ASN 15 HA ASN 15 9.210 -5.214 2.536 119 HB2 ASN 15 HB2 ASN 15 10.860 -6.819 2.952 120 HB3 ASN 15 HB3 ASN 15 10.196 -7.233 4.530 121 HD21 ASN 15 HD21 ASN 15 8.731 -8.828 4.691 122 HD22 ASN 15 HD22 ASN 15 8.128 -9.740 3.353 123 H GLN 16 H GLN 16 7.880 -5.268 5.671 124 HA GLN 16 HA GLN 16 5.678 -6.956 5.359 125 HB2 GLN 16 HB2 GLN 16 6.366 -6.024 7.522 126 HB3 GLN 16 HB3 GLN 16 5.887 -4.418 6.988 127 HG2 GLN 16 HG2 GLN 16 3.988 -4.903 8.069 128 HG3 GLN 16 HG3 GLN 16 3.590 -5.759 6.580 129 HE21 GLN 16 HE21 GLN 16 5.662 -6.476 9.372 130 HE22 GLN 16 HE22 GLN 16 4.956 -8.015 9.716 131 H ALA 17 H ALA 17 5.771 -3.405 5.007 132 HA ALA 17 HA ALA 17 3.207 -2.986 4.109 133 HB1 ALA 17 HB1 ALA 17 4.141 -0.985 2.920 134 HB2 ALA 17 HB2 ALA 17 4.595 -1.121 4.619 135 HB3 ALA 17 HB3 ALA 17 5.750 -1.557 3.360 136 H GLU 18 H GLU 18 6.076 -3.705 2.127 137 HA GLU 18 HA GLU 18 4.886 -3.615 -0.376 138 HB2 GLU 18 HB2 GLU 18 7.297 -4.848 0.779 139 HB3 GLU 18 HB3 GLU 18 6.706 -5.625 -0.684 140 HG2 GLU 18 HG2 GLU 18 6.837 -3.543 -1.893 141 HG3 GLU 18 HG3 GLU 18 7.310 -2.689 -0.426 142 H ASN 19 H ASN 19 5.129 -6.334 1.887 143 HA ASN 19 HA ASN 19 3.889 -8.240 0.209 144 HB2 ASN 19 HB2 ASN 19 4.551 -8.059 3.109 145 HB3 ASN 19 HB3 ASN 19 3.371 -9.270 2.616 146 HD21 ASN 19 HD21 ASN 19 5.541 -10.237 3.717 147 HD22 ASN 19 HD22 ASN 19 6.612 -10.926 2.550 148 H ILE 20 H ILE 20 2.628 -6.110 2.745 149 HA ILE 20 HA ILE 20 -0.003 -7.049 2.783 150 HB ILE 20 HB ILE 20 0.987 -4.242 3.293 151 HG12 ILE 20 HG12 ILE 20 0.284 -6.331 5.346 152 HG13 ILE 20 HG13 ILE 20 1.907 -6.209 4.675 153 HG21 ILE 20 HG21 ILE 20 -1.293 -4.783 4.826 154 HG22 ILE 20 HG22 ILE 20 -1.148 -3.666 3.470 155 HG23 ILE 20 HG23 ILE 20 -1.669 -5.328 3.192 156 HD11 ILE 20 HD11 ILE 20 2.351 -4.253 5.752 157 HD12 ILE 20 HD12 ILE 20 0.657 -3.760 5.792 158 HD13 ILE 20 HD13 ILE 20 1.242 -4.996 6.906 159 H ILE 21 H ILE 21 1.253 -4.166 1.091 160 HA ILE 21 HA ILE 21 -1.015 -3.464 -0.299 161 HB ILE 21 HB ILE 21 1.834 -3.292 -1.289 162 HG12 ILE 21 HG12 ILE 21 0.150 -1.201 0.103 163 HG13 ILE 21 HG13 ILE 21 1.347 -2.202 0.918 164 HG21 ILE 21 HG21 ILE 21 -0.736 -2.150 -2.296 165 HG22 ILE 21 HG22 ILE 21 0.772 -1.267 -2.525 166 HG23 ILE 21 HG23 ILE 21 0.591 -2.888 -3.193 167 HD11 ILE 21 HD11 ILE 21 2.472 -0.221 0.511 168 HD12 ILE 21 HD12 ILE 21 2.995 -1.261 -0.815 169 HD13 ILE 21 HD13 ILE 21 1.761 -0.030 -1.092 170 H THR 22 H THR 22 1.469 -5.811 -1.240 171 HA THR 22 HA THR 22 0.478 -6.423 -3.786 172 HB THR 22 HB THR 22 1.962 -8.243 -1.879 173 HG1 THR 22 HG1 THR 22 3.664 -7.123 -2.440 174 HG21 THR 22 HG21 THR 22 1.529 -8.414 -4.863 175 HG22 THR 22 HG22 THR 22 0.931 -9.536 -3.641 176 HG23 THR 22 HG23 THR 22 2.662 -9.413 -3.954 177 H ASP 23 H ASP 23 -0.491 -7.506 -0.608 178 HA ASP 23 HA ASP 23 -1.939 -9.792 -1.267 179 HB2 ASP 23 HB2 ASP 23 -1.392 -8.843 1.052 180 HB3 ASP 23 HB3 ASP 23 -2.822 -7.835 0.848 181 H LEU 24 H LEU 24 -3.403 -6.613 -0.576 182 HA LEU 24 HA LEU 24 -5.926 -7.115 -1.525 183 HB2 LEU 24 HB2 LEU 24 -4.315 -4.576 -1.575 184 HB3 LEU 24 HB3 LEU 24 -6.017 -4.636 -2.027 185 HG LEU 24 HG LEU 24 -4.830 -5.204 0.686 186 HD11 LEU 24 HD11 LEU 24 -6.483 -3.317 1.243 187 HD12 LEU 24 HD12 LEU 24 -6.458 -2.980 -0.487 188 HD13 LEU 24 HD13 LEU 24 -4.966 -2.894 0.448 189 HD21 LEU 24 HD21 LEU 24 -7.649 -5.530 -0.325 190 HD22 LEU 24 HD22 LEU 24 -7.219 -5.456 1.384 191 HD23 LEU 24 HD23 LEU 24 -6.605 -6.767 0.375 192 H LEU 25 H LEU 25 -3.068 -6.180 -3.361 193 HA LEU 25 HA LEU 25 -4.236 -5.618 -5.817 194 HB2 LEU 25 HB2 LEU 25 -1.591 -6.341 -4.836 195 HB3 LEU 25 HB3 LEU 25 -1.888 -6.898 -6.481 196 HG LEU 25 HG LEU 25 -0.745 -4.680 -6.301 197 HD11 LEU 25 HD11 LEU 25 -3.247 -5.202 -7.799 198 HD12 LEU 25 HD12 LEU 25 -1.611 -4.908 -8.387 199 HD13 LEU 25 HD13 LEU 25 -2.604 -3.560 -7.832 200 HD21 LEU 25 HD21 LEU 25 -2.599 -4.140 -4.376 201 HD22 LEU 25 HD22 LEU 25 -3.261 -3.281 -5.766 202 HD23 LEU 25 HD23 LEU 25 -1.624 -2.931 -5.211 203 H ASP 26 H ASP 26 -3.156 -8.736 -4.510 204 HA ASP 26 HA ASP 26 -3.755 -10.282 -6.780 205 HB2 ASP 26 HB2 ASP 26 -2.343 -11.190 -5.055 206 HB3 ASP 26 HB3 ASP 26 -3.621 -11.025 -3.854 207 H ASP 27 H ASP 27 -5.666 -9.619 -3.857 208 HA ASP 27 HA ASP 27 -7.911 -11.141 -4.554 209 HB2 ASP 27 HB2 ASP 27 -7.433 -8.836 -2.707 210 HB3 ASP 27 HB3 ASP 27 -9.089 -9.346 -3.028 211 H LEU 28 H LEU 28 -6.921 -7.917 -5.472 212 HA LEU 28 HA LEU 28 -9.416 -7.086 -6.547 213 HB2 LEU 28 HB2 LEU 28 -6.677 -6.085 -6.436 214 HB3 LEU 28 HB3 LEU 28 -7.512 -5.669 -7.932 215 HG LEU 28 HG LEU 28 -8.477 -5.014 -5.149 216 HD11 LEU 28 HD11 LEU 28 -7.165 -3.317 -7.264 217 HD12 LEU 28 HD12 LEU 28 -6.536 -3.702 -5.662 218 HD13 LEU 28 HD13 LEU 28 -7.964 -2.682 -5.825 219 HD21 LEU 28 HD21 LEU 28 -9.656 -3.493 -7.275 220 HD22 LEU 28 HD22 LEU 28 -10.437 -4.491 -6.048 221 HD23 LEU 28 HD23 LEU 28 -9.894 -5.218 -7.561 222 H LYS 29 H LYS 29 -6.894 -9.125 -7.691 223 HA LYS 29 HA LYS 29 -6.985 -8.894 -10.421 224 HB2 LYS 29 HB2 LYS 29 -5.483 -10.435 -9.267 225 HB3 LYS 29 HB3 LYS 29 -6.847 -11.443 -8.800 226 HG2 LYS 29 HG2 LYS 29 -6.995 -12.417 -10.825 227 HG3 LYS 29 HG3 LYS 29 -6.549 -10.943 -11.688 228 HD2 LYS 29 HD2 LYS 29 -4.491 -12.344 -10.043 229 HD3 LYS 29 HD3 LYS 29 -4.924 -13.003 -11.623 230 HE2 LYS 29 HE2 LYS 29 -4.261 -10.102 -11.331 231 HE3 LYS 29 HE3 LYS 29 -2.970 -11.298 -11.424 232 HZ1 LYS 29 HZ1 LYS 29 -3.328 -10.622 -13.612 233 HZ2 LYS 29 HZ2 LYS 29 -5.011 -10.644 -13.459 234 HZ3 LYS 29 HZ3 LYS 29 -4.149 -12.097 -13.509 235 H THR 30 H THR 30 -8.268 -9.651 -12.073 236 HA THR 30 HA THR 30 -10.277 -10.033 -13.096 237 HB THR 30 HB THR 30 -11.443 -12.172 -12.133 238 HG1 THR 30 HG1 THR 30 -10.511 -12.913 -10.393 239 HG21 THR 30 HG21 THR 30 -9.872 -11.870 -14.168 240 HG22 THR 30 HG22 THR 30 -10.119 -13.492 -13.522 241 HG23 THR 30 HG23 THR 30 -8.649 -12.601 -13.130 242 H ASP 31 H ASP 31 -10.781 -7.940 -11.705 243 HA ASP 31 HA ASP 31 -13.491 -8.222 -10.863 244 HB2 ASP 31 HB2 ASP 31 -12.207 -8.952 -8.816 245 HB3 ASP 31 HB3 ASP 31 -11.551 -7.319 -8.730 246 H LEU 32 H LEU 32 -14.584 -6.303 -10.971 247 HA LEU 32 HA LEU 32 -13.011 -3.992 -11.859 248 HB2 LEU 32 HB2 LEU 32 -15.836 -4.871 -12.302 249 HB3 LEU 32 HB3 LEU 32 -15.383 -3.183 -12.527 250 HG LEU 32 HG LEU 32 -15.407 -4.326 -14.655 251 HD11 LEU 32 HD11 LEU 32 -13.654 -2.592 -14.116 252 HD12 LEU 32 HD12 LEU 32 -13.284 -3.674 -15.458 253 HD13 LEU 32 HD13 LEU 32 -12.528 -3.929 -13.886 254 HD21 LEU 32 HD21 LEU 32 -14.932 -6.593 -13.625 255 HD22 LEU 32 HD22 LEU 32 -13.229 -6.135 -13.643 256 HD23 LEU 32 HD23 LEU 32 -14.130 -6.243 -15.156 257 H ASP 33 H ASP 33 -13.288 -4.727 -9.055 258 HA ASP 33 HA ASP 33 -15.149 -2.861 -7.884 259 HB2 ASP 33 HB2 ASP 33 -14.562 -5.024 -6.801 260 HB3 ASP 33 HB3 ASP 33 -12.926 -4.423 -6.555 261 H ASN 34 H ASN 34 -11.785 -2.908 -8.765 262 HA ASN 34 HA ASN 34 -11.568 -0.079 -8.383 263 HB2 ASN 34 HB2 ASN 34 -10.493 -1.930 -6.352 264 HB3 ASN 34 HB3 ASN 34 -9.356 -0.710 -6.919 265 HD21 ASN 34 HD21 ASN 34 -10.550 -0.988 -4.307 266 HD22 ASN 34 HD22 ASN 34 -11.416 0.475 -4.002 267 H GLU 35 H GLU 35 -10.989 -0.006 -10.533 268 HA GLU 35 HA GLU 35 -8.712 -1.567 -11.453 269 HB2 GLU 35 HB2 GLU 35 -10.653 -1.351 -12.926 270 HB3 GLU 35 HB3 GLU 35 -10.483 0.400 -12.914 271 HG2 GLU 35 HG2 GLU 35 -8.163 -1.222 -13.802 272 HG3 GLU 35 HG3 GLU 35 -9.549 -1.083 -14.883 273 H SER 36 H SER 36 -9.541 1.848 -12.008 274 HA SER 36 HA SER 36 -6.933 2.719 -12.412 275 HB2 SER 36 HB2 SER 36 -7.829 5.002 -11.939 276 HB3 SER 36 HB3 SER 36 -8.821 4.086 -13.074 277 HG SER 36 HG SER 36 -9.507 5.137 -10.703 278 H LEU 37 H LEU 37 -8.713 2.222 -9.453 279 HA LEU 37 HA LEU 37 -7.193 3.723 -7.670 280 HB2 LEU 37 HB2 LEU 37 -9.345 2.455 -7.241 281 HB3 LEU 37 HB3 LEU 37 -8.348 1.014 -7.054 282 HG LEU 37 HG LEU 37 -9.066 2.131 -4.920 283 HD11 LEU 37 HD11 LEU 37 -6.760 0.819 -5.559 284 HD12 LEU 37 HD12 LEU 37 -7.270 1.245 -3.926 285 HD13 LEU 37 HD13 LEU 37 -6.149 2.289 -4.800 286 HD21 LEU 37 HD21 LEU 37 -7.034 4.206 -5.731 287 HD22 LEU 37 HD22 LEU 37 -7.939 4.140 -4.219 288 HD23 LEU 37 HD23 LEU 37 -8.779 4.453 -5.738 289 H LYS 38 H LYS 38 -6.585 0.564 -9.077 290 HA LYS 38 HA LYS 38 -4.570 -0.394 -7.459 291 HB2 LYS 38 HB2 LYS 38 -4.994 -0.610 -10.434 292 HB3 LYS 38 HB3 LYS 38 -3.667 -1.432 -9.624 293 HG2 LYS 38 HG2 LYS 38 -5.253 -2.649 -8.233 294 HG3 LYS 38 HG3 LYS 38 -6.593 -1.809 -9.017 295 HD2 LYS 38 HD2 LYS 38 -5.624 -2.751 -11.208 296 HD3 LYS 38 HD3 LYS 38 -4.715 -3.849 -10.167 297 HE2 LYS 38 HE2 LYS 38 -6.544 -5.052 -9.624 298 HE3 LYS 38 HE3 LYS 38 -7.588 -3.632 -9.567 299 HZ1 LYS 38 HZ1 LYS 38 -7.361 -5.530 -11.608 300 HZ2 LYS 38 HZ2 LYS 38 -6.812 -4.053 -12.224 301 HZ3 LYS 38 HZ3 LYS 38 -8.362 -4.167 -11.554 302 H LYS 39 H LYS 39 -4.475 2.217 -9.756 303 HA LYS 39 HA LYS 39 -1.732 2.431 -10.201 304 HB2 LYS 39 HB2 LYS 39 -2.164 4.531 -11.072 305 HB3 LYS 39 HB3 LYS 39 -3.742 3.764 -11.198 306 HG2 LYS 39 HG2 LYS 39 -4.455 4.877 -9.148 307 HG3 LYS 39 HG3 LYS 39 -2.868 5.639 -9.008 308 HD2 LYS 39 HD2 LYS 39 -4.398 7.221 -9.971 309 HD3 LYS 39 HD3 LYS 39 -3.256 6.714 -11.218 310 HE2 LYS 39 HE2 LYS 39 -4.932 5.113 -12.059 311 HE3 LYS 39 HE3 LYS 39 -6.072 5.694 -10.846 312 HZ1 LYS 39 HZ1 LYS 39 -4.920 7.242 -13.100 313 HZ2 LYS 39 HZ2 LYS 39 -5.844 7.930 -11.861 314 HZ3 LYS 39 HZ3 LYS 39 -6.536 6.783 -12.896 315 H VAL 40 H VAL 40 -3.685 3.438 -7.468 316 HA VAL 40 HA VAL 40 -1.720 5.054 -6.213 317 HB VAL 40 HB VAL 40 -4.254 3.756 -5.293 318 HG11 VAL 40 HG11 VAL 40 -2.875 3.410 -3.390 319 HG12 VAL 40 HG12 VAL 40 -2.169 5.021 -3.527 320 HG13 VAL 40 HG13 VAL 40 -3.859 4.835 -3.056 321 HG21 VAL 40 HG21 VAL 40 -5.099 5.884 -5.252 322 HG22 VAL 40 HG22 VAL 40 -3.534 6.619 -4.907 323 HG23 VAL 40 HG23 VAL 40 -3.902 6.052 -6.535 324 H LEU 41 H LEU 41 -2.872 1.775 -5.391 325 HA LEU 41 HA LEU 41 -0.904 1.236 -3.477 326 HB2 LEU 41 HB2 LEU 41 -2.441 -0.659 -5.245 327 HB3 LEU 41 HB3 LEU 41 -1.486 -1.145 -3.846 328 HG LEU 41 HG LEU 41 -3.660 0.847 -3.442 329 HD11 LEU 41 HD11 LEU 41 -5.399 -0.618 -3.594 330 HD12 LEU 41 HD12 LEU 41 -4.382 -2.032 -3.322 331 HD13 LEU 41 HD13 LEU 41 -4.382 -1.236 -4.895 332 HD21 LEU 41 HD21 LEU 41 -1.919 -0.230 -1.755 333 HD22 LEU 41 HD22 LEU 41 -3.142 -1.500 -1.699 334 HD23 LEU 41 HD23 LEU 41 -3.571 0.158 -1.275 335 H GLU 42 H GLU 42 -1.036 0.347 -6.921 336 HA GLU 42 HA GLU 42 1.370 -1.035 -7.073 337 HB2 GLU 42 HB2 GLU 42 -0.174 0.577 -9.086 338 HB3 GLU 42 HB3 GLU 42 1.350 -0.187 -9.514 339 HG2 GLU 42 HG2 GLU 42 0.089 -2.276 -8.395 340 HG3 GLU 42 HG3 GLU 42 -1.295 -1.378 -9.018 341 H ASN 43 H ASN 43 0.829 2.377 -7.975 342 HA ASN 43 HA ASN 43 3.424 3.119 -8.468 343 HB2 ASN 43 HB2 ASN 43 1.473 4.584 -8.836 344 HB3 ASN 43 HB3 ASN 43 1.313 4.800 -7.096 345 HD21 ASN 43 HD21 ASN 43 1.486 7.052 -8.294 346 HD22 ASN 43 HD22 ASN 43 3.063 7.755 -8.223 347 H TYR 44 H TYR 44 1.787 3.770 -5.364 348 HA TYR 44 HA TYR 44 3.992 4.526 -3.906 349 HB2 TYR 44 HB2 TYR 44 1.423 3.183 -3.124 350 HB3 TYR 44 HB3 TYR 44 2.658 3.513 -1.914 351 HD1 TYR 44 HD1 TYR 44 3.656 6.070 -2.288 352 HD2 TYR 44 HD2 TYR 44 -0.287 4.717 -3.142 353 HE1 TYR 44 HE1 TYR 44 2.823 8.373 -2.062 354 HE2 TYR 44 HE2 TYR 44 -1.131 7.016 -2.918 355 HH TYR 44 HH TYR 44 0.800 9.696 -2.955 356 H LEU 45 H LEU 45 2.743 1.251 -4.419 357 HA LEU 45 HA LEU 45 4.470 -0.132 -2.730 358 HB2 LEU 45 HB2 LEU 45 2.570 -1.213 -3.722 359 HB3 LEU 45 HB3 LEU 45 3.216 -0.958 -5.342 360 HG LEU 45 HG LEU 45 5.182 -2.452 -4.465 361 HD11 LEU 45 HD11 LEU 45 3.020 -3.706 -2.845 362 HD12 LEU 45 HD12 LEU 45 3.975 -2.401 -2.141 363 HD13 LEU 45 HD13 LEU 45 4.771 -3.868 -2.710 364 HD21 LEU 45 HD21 LEU 45 2.611 -3.893 -4.974 365 HD22 LEU 45 HD22 LEU 45 4.231 -4.246 -5.575 366 HD23 LEU 45 HD23 LEU 45 3.327 -2.879 -6.227 367 H GLU 46 H GLU 46 4.947 1.055 -6.004 368 HA GLU 46 HA GLU 46 7.382 -0.306 -6.501 369 HB2 GLU 46 HB2 GLU 46 5.752 1.718 -7.815 370 HB3 GLU 46 HB3 GLU 46 7.473 2.025 -8.011 371 HG2 GLU 46 HG2 GLU 46 7.821 0.116 -9.224 372 HG3 GLU 46 HG3 GLU 46 6.443 -0.720 -8.512 373 H GLU 47 H GLU 47 6.572 2.569 -4.752 374 HA GLU 47 HA GLU 47 8.962 3.977 -4.810 375 HB2 GLU 47 HB2 GLU 47 7.120 3.671 -2.433 376 HB3 GLU 47 HB3 GLU 47 8.270 4.973 -2.700 377 HG2 GLU 47 HG2 GLU 47 6.127 4.462 -4.708 378 HG3 GLU 47 HG3 GLU 47 5.748 5.324 -3.217 379 H LEU 48 H LEU 48 7.972 1.348 -2.641 380 HA LEU 48 HA LEU 48 10.205 1.313 -0.982 381 HB2 LEU 48 HB2 LEU 48 8.613 -1.073 -1.907 382 HB3 LEU 48 HB3 LEU 48 9.606 -0.973 -0.455 383 HG LEU 48 HG LEU 48 7.766 1.100 -0.190 384 HD11 LEU 48 HD11 LEU 48 6.621 -1.186 -1.681 385 HD12 LEU 48 HD12 LEU 48 6.152 0.514 -1.667 386 HD13 LEU 48 HD13 LEU 48 5.674 -0.543 -0.339 387 HD21 LEU 48 HD21 LEU 48 8.256 -1.560 1.023 388 HD22 LEU 48 HD22 LEU 48 6.728 -0.763 1.401 389 HD23 LEU 48 HD23 LEU 48 8.257 0.042 1.760 390 H LYS 49 H LYS 49 9.845 0.283 -4.258 391 HA LYS 49 HA LYS 49 12.428 -1.110 -4.187 392 HB2 LYS 49 HB2 LYS 49 10.365 -0.992 -6.395 393 HB3 LYS 49 HB3 LYS 49 11.830 -1.965 -6.404 394 HG2 LYS 49 HG2 LYS 49 10.286 -3.526 -5.779 395 HG3 LYS 49 HG3 LYS 49 10.822 -2.952 -4.198 396 HD2 LYS 49 HD2 LYS 49 8.673 -2.556 -3.748 397 HD3 LYS 49 HD3 LYS 49 8.775 -1.214 -4.891 398 HE2 LYS 49 HE2 LYS 49 6.896 -2.586 -5.479 399 HE3 LYS 49 HE3 LYS 49 8.145 -2.784 -6.706 400 HZ1 LYS 49 HZ1 LYS 49 6.991 -4.865 -5.847 401 HZ2 LYS 49 HZ2 LYS 49 7.904 -4.663 -4.439 402 HZ3 LYS 49 HZ3 LYS 49 8.681 -4.896 -5.924 403 H GLN 50 H GLN 50 11.099 1.885 -4.909 404 HA GLN 50 HA GLN 50 12.795 2.585 -7.113 405 HB2 GLN 50 HB2 GLN 50 10.888 4.063 -5.342 406 HB3 GLN 50 HB3 GLN 50 12.020 4.971 -6.335 407 HG2 GLN 50 HG2 GLN 50 10.271 2.860 -7.532 408 HG3 GLN 50 HG3 GLN 50 9.672 4.495 -7.254 409 HE21 GLN 50 HE21 GLN 50 10.256 2.907 -9.725 410 HE22 GLN 50 HE22 GLN 50 11.275 3.931 -10.671 411 H LYS 51 H LYS 51 13.425 2.057 -3.920 412 HA LYS 51 HA LYS 51 14.991 2.811 -2.412 413 HB2 LYS 51 HB2 LYS 51 17.271 2.738 -3.336 414 HB3 LYS 51 HB3 LYS 51 16.296 1.384 -3.892 415 HG2 LYS 51 HG2 LYS 51 16.059 2.311 -6.047 416 HG3 LYS 51 HG3 LYS 51 16.670 3.880 -5.519 417 HD2 LYS 51 HD2 LYS 51 18.426 2.819 -6.723 418 HD3 LYS 51 HD3 LYS 51 18.855 2.740 -5.012 419 HE2 LYS 51 HE2 LYS 51 18.218 0.450 -4.879 420 HE3 LYS 51 HE3 LYS 51 17.470 0.501 -6.474 421 HZ1 LYS 51 HZ1 LYS 51 19.643 -0.583 -6.504 422 HZ2 LYS 51 HZ2 LYS 51 20.372 0.834 -5.939 423 HZ3 LYS 51 HZ3 LYS 51 19.637 0.812 -7.462 424 H SER 52 H SER 52 13.442 4.938 -2.978 425 HA SER 52 HA SER 52 15.335 7.130 -2.777 426 HB2 SER 52 HB2 SER 52 14.451 6.702 -5.255 427 HB3 SER 52 HB3 SER 52 13.070 7.619 -4.653 428 HG SER 52 HG SER 52 14.862 8.851 -5.632 429 H ALA 53 H ALA 53 13.219 5.654 -1.191 430 HA ALA 53 HA ALA 53 12.167 7.953 0.144 431 HB1 ALA 53 HB1 ALA 53 10.234 6.164 -1.325 432 HB2 ALA 53 HB2 ALA 53 9.781 7.382 -0.131 433 HB3 ALA 53 HB3 ALA 53 10.544 7.872 -1.643 434 H SER 54 H SER 54 11.801 7.509 2.246 435 HA SER 54 HA SER 54 12.537 4.976 3.282 436 HB2 SER 54 HB2 SER 54 12.157 7.579 4.304 437 HB3 SER 54 HB3 SER 54 11.063 6.532 5.208 438 HG SER 54 HG SER 54 13.866 6.433 5.009 439 H VAL 55 H VAL 55 11.278 3.466 4.442 440 HA VAL 55 HA VAL 55 8.936 2.625 3.264 441 HB VAL 55 HB VAL 55 10.231 2.055 5.879 442 HG11 VAL 55 HG11 VAL 55 8.062 2.096 6.729 443 HG12 VAL 55 HG12 VAL 55 7.363 1.461 5.238 444 HG13 VAL 55 HG13 VAL 55 8.301 0.403 6.294 445 HG21 VAL 55 HG21 VAL 55 10.865 0.187 4.837 446 HG22 VAL 55 HG22 VAL 55 9.226 -0.156 4.283 447 HG23 VAL 55 HG23 VAL 55 10.261 0.931 3.356 448 HA PRO 56 HA PRO 56 6.387 4.727 6.797 449 HB2 PRO 56 HB2 PRO 56 7.695 6.501 8.382 450 HB3 PRO 56 HB3 PRO 56 7.592 4.774 8.752 451 HG2 PRO 56 HG2 PRO 56 9.830 6.310 7.490 452 HG3 PRO 56 HG3 PRO 56 9.902 5.048 8.732 453 HD2 PRO 56 HD2 PRO 56 10.427 4.554 6.122 454 HD3 PRO 56 HD3 PRO 56 9.689 3.345 7.193 455 H LEU 57 H LEU 57 8.675 6.265 4.785 456 HA LEU 57 HA LEU 57 7.465 8.886 4.881 457 HB2 LEU 57 HB2 LEU 57 9.808 7.648 3.654 458 HB3 LEU 57 HB3 LEU 57 9.014 8.831 2.616 459 HG LEU 57 HG LEU 57 10.087 9.342 5.390 460 HD11 LEU 57 HD11 LEU 57 11.316 10.994 3.510 461 HD12 LEU 57 HD12 LEU 57 11.302 9.389 2.780 462 HD13 LEU 57 HD13 LEU 57 12.034 9.630 4.367 463 HD21 LEU 57 HD21 LEU 57 8.391 10.920 3.538 464 HD22 LEU 57 HD22 LEU 57 9.670 11.775 4.402 465 HD23 LEU 57 HD23 LEU 57 8.431 10.897 5.302 466 H ILE 58 H ILE 58 7.346 6.041 2.830 467 HA ILE 58 HA ILE 58 5.707 7.358 0.836 468 HB ILE 58 HB ILE 58 6.412 4.433 1.087 469 HG12 ILE 58 HG12 ILE 58 7.674 6.053 -1.020 470 HG13 ILE 58 HG13 ILE 58 8.164 6.483 0.615 471 HG21 ILE 58 HG21 ILE 58 5.452 5.942 -1.334 472 HG22 ILE 58 HG22 ILE 58 5.680 4.202 -1.168 473 HG23 ILE 58 HG23 ILE 58 4.393 5.011 -0.276 474 HD11 ILE 58 HD11 ILE 58 8.172 3.618 0.179 475 HD12 ILE 58 HD12 ILE 58 9.231 4.483 -0.936 476 HD13 ILE 58 HD13 ILE 58 9.436 4.675 0.805 477 H LEU 59 H LEU 59 5.310 4.875 3.334 478 HA LEU 59 HA LEU 59 2.649 4.209 2.829 479 HB2 LEU 59 HB2 LEU 59 4.165 4.264 5.432 480 HB3 LEU 59 HB3 LEU 59 2.584 3.514 5.217 481 HG LEU 59 HG LEU 59 4.998 2.656 3.639 482 HD11 LEU 59 HD11 LEU 59 5.476 2.452 6.050 483 HD12 LEU 59 HD12 LEU 59 5.348 0.887 5.245 484 HD13 LEU 59 HD13 LEU 59 4.015 1.481 6.237 485 HD21 LEU 59 HD21 LEU 59 3.166 0.577 4.175 486 HD22 LEU 59 HD22 LEU 59 3.521 1.346 2.628 487 HD23 LEU 59 HD23 LEU 59 2.226 1.974 3.649 488 H SER 60 H SER 60 4.047 6.925 4.533 489 HA SER 60 HA SER 60 1.817 7.827 5.940 490 HB2 SER 60 HB2 SER 60 2.905 10.041 5.903 491 HB3 SER 60 HB3 SER 60 4.061 8.761 6.268 492 HG SER 60 HG SER 60 4.182 10.546 4.327 493 H ARG 61 H ARG 61 2.960 8.943 2.748 494 HA ARG 61 HA ARG 61 0.676 10.507 2.200 495 HB2 ARG 61 HB2 ARG 61 3.039 9.562 0.707 496 HB3 ARG 61 HB3 ARG 61 1.626 9.918 -0.277 497 HG2 ARG 61 HG2 ARG 61 2.695 11.943 -0.275 498 HG3 ARG 61 HG3 ARG 61 1.589 12.141 1.086 499 HD2 ARG 61 HD2 ARG 61 3.275 11.935 2.654 500 HD3 ARG 61 HD3 ARG 61 4.331 11.052 1.552 501 HE ARG 61 HE ARG 61 4.127 13.902 1.848 502 HH11 ARG 61 HH11 ARG 61 5.009 11.303 -0.294 503 HH12 ARG 61 HH12 ARG 61 6.091 12.274 -1.237 504 HH21 ARG 61 HH21 ARG 61 5.550 15.190 0.615 505 HH22 ARG 61 HH22 ARG 61 6.399 14.484 -0.719 506 H MET 62 H MET 62 1.453 7.138 1.623 507 HA MET 62 HA MET 62 -0.443 6.440 -0.256 508 HB2 MET 62 HB2 MET 62 1.368 4.997 0.863 509 HB3 MET 62 HB3 MET 62 0.171 4.688 2.113 510 HG2 MET 62 HG2 MET 62 -1.345 3.774 0.420 511 HG3 MET 62 HG3 MET 62 -0.122 4.059 -0.815 512 HE1 MET 62 HE1 MET 62 -0.336 2.192 2.832 513 HE2 MET 62 HE2 MET 62 -1.632 1.854 1.684 514 HE3 MET 62 HE3 MET 62 -0.455 0.602 2.080 515 H ASN 63 H ASN 63 -0.839 6.255 3.288 516 HA ASN 63 HA ASN 63 -3.506 5.527 3.349 517 HB2 ASN 63 HB2 ASN 63 -2.265 7.431 5.334 518 HB3 ASN 63 HB3 ASN 63 -3.540 6.249 5.618 519 HD21 ASN 63 HD21 ASN 63 -0.687 6.768 6.635 520 HD22 ASN 63 HD22 ASN 63 0.033 5.198 6.603 521 H LEU 64 H LEU 64 -2.119 8.797 3.296 522 HA LEU 64 HA LEU 64 -4.568 10.183 3.404 523 HB2 LEU 64 HB2 LEU 64 -1.792 10.867 2.557 524 HB3 LEU 64 HB3 LEU 64 -3.101 11.990 2.196 525 HG LEU 64 HG LEU 64 -3.622 11.978 4.671 526 HD11 LEU 64 HD11 LEU 64 -1.928 11.236 6.197 527 HD12 LEU 64 HD12 LEU 64 -0.876 10.755 4.867 528 HD13 LEU 64 HD13 LEU 64 -2.381 9.885 5.159 529 HD21 LEU 64 HD21 LEU 64 -0.934 13.011 3.773 530 HD22 LEU 64 HD22 LEU 64 -1.820 13.554 5.199 531 HD23 LEU 64 HD23 LEU 64 -2.483 13.835 3.588 532 H ASP 65 H ASP 65 -3.038 8.450 0.881 533 HA ASP 65 HA ASP 65 -4.482 9.823 -1.237 534 HB2 ASP 65 HB2 ASP 65 -2.096 8.878 -1.428 535 HB3 ASP 65 HB3 ASP 65 -2.870 7.300 -1.555 536 H ILE 66 H ILE 66 -4.250 6.456 -0.077 537 HA ILE 66 HA ILE 66 -6.395 5.437 -1.526 538 HB ILE 66 HB ILE 66 -5.517 4.537 1.219 539 HG12 ILE 66 HG12 ILE 66 -4.522 3.718 -1.518 540 HG13 ILE 66 HG13 ILE 66 -3.618 4.637 -0.321 541 HG21 ILE 66 HG21 ILE 66 -7.003 2.899 1.035 542 HG22 ILE 66 HG22 ILE 66 -7.627 3.680 -0.417 543 HG23 ILE 66 HG23 ILE 66 -6.371 2.450 -0.549 544 HD11 ILE 66 HD11 ILE 66 -3.844 2.651 1.203 545 HD12 ILE 66 HD12 ILE 66 -4.466 1.762 -0.188 546 HD13 ILE 66 HD13 ILE 66 -2.830 2.420 -0.219 547 H SER 67 H SER 67 -6.347 6.775 1.767 548 HA SER 67 HA SER 67 -9.001 6.351 2.445 549 HB2 SER 67 HB2 SER 67 -7.249 7.183 4.003 550 HB3 SER 67 HB3 SER 67 -7.322 8.754 3.205 551 HG SER 67 HG SER 67 -9.605 8.746 3.784 552 H LYS 68 H LYS 68 -7.569 8.817 0.416 553 HA LYS 68 HA LYS 68 -9.883 10.479 0.274 554 HB2 LYS 68 HB2 LYS 68 -7.211 10.408 -0.908 555 HB3 LYS 68 HB3 LYS 68 -8.438 10.983 -2.029 556 HG2 LYS 68 HG2 LYS 68 -9.106 12.704 -0.456 557 HG3 LYS 68 HG3 LYS 68 -7.935 12.104 0.721 558 HD2 LYS 68 HD2 LYS 68 -6.896 13.950 -0.310 559 HD3 LYS 68 HD3 LYS 68 -6.163 12.527 -1.054 560 HE2 LYS 68 HE2 LYS 68 -6.628 14.018 -2.824 561 HE3 LYS 68 HE3 LYS 68 -7.878 12.777 -2.899 562 HZ1 LYS 68 HZ1 LYS 68 -8.104 15.604 -2.257 563 HZ2 LYS 68 HZ2 LYS 68 -9.070 14.560 -1.342 564 HZ3 LYS 68 HZ3 LYS 68 -9.205 14.576 -3.029 565 H ALA 69 H ALA 69 -8.530 7.942 -1.796 566 HA ALA 69 HA ALA 69 -10.312 8.138 -3.931 567 HB1 ALA 69 HB1 ALA 69 -8.797 6.643 -4.597 568 HB2 ALA 69 HB2 ALA 69 -8.401 6.181 -2.942 569 HB3 ALA 69 HB3 ALA 69 -9.779 5.441 -3.758 570 H ILE 70 H ILE 70 -10.817 7.005 -0.726 571 HA ILE 70 HA ILE 70 -12.958 5.225 -1.161 572 HB ILE 70 HB ILE 70 -12.616 6.967 1.276 573 HG12 ILE 70 HG12 ILE 70 -11.206 4.404 0.519 574 HG13 ILE 70 HG13 ILE 70 -10.470 5.964 0.873 575 HG21 ILE 70 HG21 ILE 70 -14.705 5.586 0.967 576 HG22 ILE 70 HG22 ILE 70 -13.674 4.159 1.080 577 HG23 ILE 70 HG23 ILE 70 -13.789 5.274 2.441 578 HD11 ILE 70 HD11 ILE 70 -11.888 4.159 2.817 579 HD12 ILE 70 HD12 ILE 70 -10.155 4.480 2.731 580 HD13 ILE 70 HD13 ILE 70 -11.268 5.766 3.198 581 H ARG 71 H ARG 71 -13.226 8.482 0.264 582 HA ARG 71 HA ARG 71 -15.980 8.726 -0.234 583 HB2 ARG 71 HB2 ARG 71 -15.614 11.156 0.221 584 HB3 ARG 71 HB3 ARG 71 -14.956 10.087 1.454 585 HG2 ARG 71 HG2 ARG 71 -12.794 10.361 -0.114 586 HG3 ARG 71 HG3 ARG 71 -13.583 11.912 -0.404 587 HD2 ARG 71 HD2 ARG 71 -13.301 10.924 2.395 588 HD3 ARG 71 HD3 ARG 71 -11.893 11.607 1.583 589 HE ARG 71 HE ARG 71 -14.184 13.293 1.359 590 HH11 ARG 71 HH11 ARG 71 -11.600 12.336 3.488 591 HH12 ARG 71 HH12 ARG 71 -11.602 13.826 4.372 592 HH21 ARG 71 HH21 ARG 71 -14.194 15.259 2.516 593 HH22 ARG 71 HH22 ARG 71 -13.078 15.488 3.819 594 H ASN 72 H ASN 72 -13.176 10.014 -1.998 595 HA ASN 72 HA ASN 72 -14.524 11.455 -3.948 596 HB2 ASN 72 HB2 ASN 72 -11.859 10.111 -3.816 597 HB3 ASN 72 HB3 ASN 72 -12.421 10.702 -5.378 598 HD21 ASN 72 HD21 ASN 72 -11.911 11.689 -2.026 599 HD22 ASN 72 HD22 ASN 72 -11.514 13.332 -2.385 600 H ASP 73 H ASP 73 -12.925 8.400 -4.777 601 HA ASP 73 HA ASP 73 -14.487 7.871 -7.017 602 HB2 ASP 73 HB2 ASP 73 -13.256 5.705 -5.321 603 HB3 ASP 73 HB3 ASP 73 -13.482 5.727 -7.068 604 H GLY 74 H GLY 74 -15.160 7.373 -3.664 605 HA2 GLY 74 HA2 GLY 74 -17.181 6.846 -2.666 606 HA3 GLY 74 HA3 GLY 74 -17.873 6.626 -4.266 607 H VAL 75 H VAL 75 -14.969 4.932 -3.445 608 HA VAL 75 HA VAL 75 -16.383 2.404 -3.690 609 HB VAL 75 HB VAL 75 -13.423 2.922 -3.372 610 HG11 VAL 75 HG11 VAL 75 -13.725 0.519 -4.651 611 HG12 VAL 75 HG12 VAL 75 -13.379 0.727 -2.933 612 HG13 VAL 75 HG13 VAL 75 -15.041 0.494 -3.479 613 HG21 VAL 75 HG21 VAL 75 -14.328 3.916 -5.419 614 HG22 VAL 75 HG22 VAL 75 -13.278 2.546 -5.776 615 HG23 VAL 75 HG23 VAL 75 -15.029 2.360 -5.864 616 H THR 76 H THR 76 -16.615 0.893 -2.109 617 HA THR 76 HA THR 76 -15.976 1.766 0.618 618 HB THR 76 HB THR 76 -17.904 -0.358 -0.340 619 HG1 THR 76 HG1 THR 76 -19.446 1.141 0.018 620 HG21 THR 76 HG21 THR 76 -18.648 0.025 2.176 621 HG22 THR 76 HG22 THR 76 -16.942 0.434 2.364 622 HG23 THR 76 HG23 THR 76 -17.407 -1.153 1.749 623 H LEU 77 H LEU 77 -14.340 0.856 1.662 624 HA LEU 77 HA LEU 77 -12.911 -1.364 0.553 625 HB2 LEU 77 HB2 LEU 77 -12.524 -0.195 3.294 626 HB3 LEU 77 HB3 LEU 77 -11.344 -1.039 2.294 627 HG LEU 77 HG LEU 77 -12.497 1.616 1.485 628 HD11 LEU 77 HD11 LEU 77 -10.180 2.410 2.398 629 HD12 LEU 77 HD12 LEU 77 -10.344 1.010 3.456 630 HD13 LEU 77 HD13 LEU 77 -11.569 2.278 3.478 631 HD21 LEU 77 HD21 LEU 77 -11.407 0.499 -0.299 632 HD22 LEU 77 HD22 LEU 77 -10.057 0.021 0.732 633 HD23 LEU 77 HD23 LEU 77 -10.278 1.716 0.297 634 H SER 78 H SER 78 -12.899 -3.462 1.164 635 HA SER 78 HA SER 78 -15.108 -4.435 2.696 636 HB2 SER 78 HB2 SER 78 -14.127 -5.626 0.719 637 HB3 SER 78 HB3 SER 78 -12.708 -5.989 1.702 638 HG SER 78 HG SER 78 -14.449 -7.629 1.598 639 H ASP 79 H ASP 79 -14.545 -6.314 4.320 640 HA ASP 79 HA ASP 79 -13.613 -5.178 6.660 641 HB2 ASP 79 HB2 ASP 79 -14.065 -7.986 5.756 642 HB3 ASP 79 HB3 ASP 79 -13.206 -7.727 7.272 643 H TYR 80 H TYR 80 -11.874 -7.694 4.820 644 HA TYR 80 HA TYR 80 -9.461 -7.505 6.170 645 HB2 TYR 80 HB2 TYR 80 -8.449 -8.562 4.190 646 HB3 TYR 80 HB3 TYR 80 -9.971 -9.329 4.625 647 HD1 TYR 80 HD1 TYR 80 -11.984 -8.965 3.240 648 HD2 TYR 80 HD2 TYR 80 -8.185 -7.425 2.099 649 HE1 TYR 80 HE1 TYR 80 -12.815 -8.628 0.950 650 HE2 TYR 80 HE2 TYR 80 -9.007 -7.081 -0.194 651 HH TYR 80 HH TYR 80 -10.719 -7.281 -1.585 652 H GLN 81 H GLN 81 -10.633 -5.661 3.397 653 HA GLN 81 HA GLN 81 -8.296 -4.335 2.694 654 HB2 GLN 81 HB2 GLN 81 -11.197 -3.569 2.525 655 HB3 GLN 81 HB3 GLN 81 -9.939 -2.463 1.989 656 HG2 GLN 81 HG2 GLN 81 -9.283 -4.864 0.780 657 HG3 GLN 81 HG3 GLN 81 -11.041 -4.795 0.682 658 HE21 GLN 81 HE21 GLN 81 -8.978 -4.568 -1.403 659 HE22 GLN 81 HE22 GLN 81 -9.282 -3.063 -2.195 660 H SER 82 H SER 82 -10.921 -2.777 4.530 661 HA SER 82 HA SER 82 -9.489 -0.623 5.464 662 HB2 SER 82 HB2 SER 82 -12.002 -1.120 5.683 663 HB3 SER 82 HB3 SER 82 -11.577 -1.984 7.161 664 HG SER 82 HG SER 82 -11.987 0.584 6.903 665 H LYS 83 H LYS 83 -9.572 -3.896 6.701 666 HA LYS 83 HA LYS 83 -8.313 -3.391 9.184 667 HB2 LYS 83 HB2 LYS 83 -9.095 -5.491 9.351 668 HB3 LYS 83 HB3 LYS 83 -9.097 -5.719 7.608 669 HG2 LYS 83 HG2 LYS 83 -6.739 -6.272 7.648 670 HG3 LYS 83 HG3 LYS 83 -6.678 -5.969 9.386 671 HD2 LYS 83 HD2 LYS 83 -7.807 -7.898 9.898 672 HD3 LYS 83 HD3 LYS 83 -8.669 -7.930 8.359 673 HE2 LYS 83 HE2 LYS 83 -7.011 -9.049 7.302 674 HE3 LYS 83 HE3 LYS 83 -5.738 -8.236 8.212 675 HZ1 LYS 83 HZ1 LYS 83 -6.485 -9.639 10.154 676 HZ2 LYS 83 HZ2 LYS 83 -5.696 -10.459 8.903 677 HZ3 LYS 83 HZ3 LYS 83 -7.379 -10.553 9.046 678 H LYS 84 H LYS 84 -7.049 -4.392 6.022 679 HA LYS 84 HA LYS 84 -4.347 -4.592 6.838 680 HB2 LYS 84 HB2 LYS 84 -3.887 -5.087 4.652 681 HB3 LYS 84 HB3 LYS 84 -5.619 -5.391 4.649 682 HG2 LYS 84 HG2 LYS 84 -5.548 -4.088 2.818 683 HG3 LYS 84 HG3 LYS 84 -5.628 -2.789 4.010 684 HD2 LYS 84 HD2 LYS 84 -3.029 -2.992 3.995 685 HD3 LYS 84 HD3 LYS 84 -3.285 -3.784 2.438 686 HE2 LYS 84 HE2 LYS 84 -4.880 -1.588 2.209 687 HE3 LYS 84 HE3 LYS 84 -3.560 -0.962 3.196 688 HZ1 LYS 84 HZ1 LYS 84 -2.559 -2.525 1.051 689 HZ2 LYS 84 HZ2 LYS 84 -2.244 -0.907 1.431 690 HZ3 LYS 84 HZ3 LYS 84 -3.571 -1.305 0.461 691 H LEU 85 H LEU 85 -6.366 -1.912 6.177 692 HA LEU 85 HA LEU 85 -4.414 -0.050 5.318 693 HB2 LEU 85 HB2 LEU 85 -7.089 -0.010 5.450 694 HB3 LEU 85 HB3 LEU 85 -6.718 0.912 6.904 695 HG LEU 85 HG LEU 85 -7.127 2.413 5.063 696 HD11 LEU 85 HD11 LEU 85 -5.211 3.773 5.244 697 HD12 LEU 85 HD12 LEU 85 -4.157 2.387 5.518 698 HD13 LEU 85 HD13 LEU 85 -5.309 2.877 6.760 699 HD21 LEU 85 HD21 LEU 85 -6.459 0.723 3.305 700 HD22 LEU 85 HD22 LEU 85 -4.788 1.188 3.623 701 HD23 LEU 85 HD23 LEU 85 -5.937 2.383 3.022 702 H LYS 86 H LYS 86 -5.598 -1.021 8.489 703 HA LYS 86 HA LYS 86 -4.211 0.998 9.943 704 HB2 LYS 86 HB2 LYS 86 -4.918 -0.128 11.898 705 HB3 LYS 86 HB3 LYS 86 -6.218 -0.348 10.735 706 HG2 LYS 86 HG2 LYS 86 -6.103 -2.527 11.078 707 HG3 LYS 86 HG3 LYS 86 -4.478 -2.525 10.389 708 HD2 LYS 86 HD2 LYS 86 -4.164 -3.481 12.487 709 HD3 LYS 86 HD3 LYS 86 -3.723 -1.791 12.746 710 HE2 LYS 86 HE2 LYS 86 -5.867 -1.329 13.729 711 HE3 LYS 86 HE3 LYS 86 -6.451 -2.941 13.320 712 HZ1 LYS 86 HZ1 LYS 86 -5.866 -2.966 15.594 713 HZ2 LYS 86 HZ2 LYS 86 -4.373 -2.224 15.309 714 HZ3 LYS 86 HZ3 LYS 86 -4.641 -3.810 14.788 715 H GLU 87 H GLU 87 -3.117 -1.669 8.270 716 HA GLU 87 HA GLU 87 -1.130 -2.734 9.924 717 HB2 GLU 87 HB2 GLU 87 -1.230 -2.467 6.917 718 HB3 GLU 87 HB3 GLU 87 -0.021 -3.409 7.777 719 HG2 GLU 87 HG2 GLU 87 -2.950 -3.918 8.142 720 HG3 GLU 87 HG3 GLU 87 -2.043 -4.633 6.811 721 H LEU 88 H LEU 88 -0.313 -0.764 7.091 722 HA LEU 88 HA LEU 88 2.153 0.084 8.167 723 HB2 LEU 88 HB2 LEU 88 1.981 1.816 6.275 724 HB3 LEU 88 HB3 LEU 88 2.070 0.106 5.856 725 HG LEU 88 HG LEU 88 0.406 1.653 4.606 726 HD11 LEU 88 HD11 LEU 88 0.435 -1.097 5.261 727 HD12 LEU 88 HD12 LEU 88 -0.268 -0.315 3.847 728 HD13 LEU 88 HD13 LEU 88 -1.244 -0.559 5.296 729 HD21 LEU 88 HD21 LEU 88 -1.293 0.968 6.996 730 HD22 LEU 88 HD22 LEU 88 -1.726 1.956 5.600 731 HD23 LEU 88 HD23 LEU 88 -0.538 2.545 6.763 732 H THR 89 H THR 89 -0.954 1.036 8.920 733 HA THR 89 HA THR 89 -0.657 3.819 9.289 734 HB THR 89 HB THR 89 -2.511 1.819 10.579 735 HG1 THR 89 HG1 THR 89 -2.599 3.559 8.386 736 HG21 THR 89 HG21 THR 89 -2.422 3.499 12.208 737 HG22 THR 89 HG22 THR 89 -3.804 3.953 11.211 738 HG23 THR 89 HG23 THR 89 -2.259 4.780 11.009 739 H SER 90 H SER 90 -0.299 1.089 11.542 740 HA SER 90 HA SER 90 0.516 2.768 13.716 741 HB2 SER 90 HB2 SER 90 -0.624 0.503 13.924 742 HB3 SER 90 HB3 SER 90 0.930 -0.216 13.502 743 HG SER 90 HG SER 90 0.095 0.871 15.860 744 H ILE 91 H ILE 91 2.113 1.052 11.151 745 HA ILE 91 HA ILE 91 4.720 1.047 12.301 746 HB ILE 91 HB ILE 91 3.943 0.877 9.387 747 HG12 ILE 91 HG12 ILE 91 4.599 -1.389 11.272 748 HG13 ILE 91 HG13 ILE 91 2.951 -0.863 10.943 749 HG21 ILE 91 HG21 ILE 91 6.295 1.476 9.762 750 HG22 ILE 91 HG22 ILE 91 6.487 0.045 10.774 751 HG23 ILE 91 HG23 ILE 91 6.126 -0.132 9.058 752 HD11 ILE 91 HD11 ILE 91 4.733 -2.519 9.361 753 HD12 ILE 91 HD12 ILE 91 2.978 -2.357 9.301 754 HD13 ILE 91 HD13 ILE 91 4.000 -1.213 8.431 755 H SER 92 H SER 92 2.983 3.221 10.126 756 HA SER 92 HA SER 92 5.210 4.920 9.609 757 HB2 SER 92 HB2 SER 92 2.259 5.555 9.369 758 HB3 SER 92 HB3 SER 92 3.585 6.431 8.603 759 HG SER 92 HG SER 92 2.498 4.863 7.239 760 H ASN 93 H ASN 93 5.988 6.600 10.728 761 HA ASN 93 HA ASN 93 4.885 7.137 13.351 762 HB2 ASN 93 HB2 ASN 93 6.899 8.604 13.595 763 HB3 ASN 93 HB3 ASN 93 7.281 6.931 13.200 764 HD21 ASN 93 HD21 ASN 93 6.988 10.174 11.895 765 HD22 ASN 93 HD22 ASN 93 8.052 9.932 10.556 766 H ILE 94 H ILE 94 4.635 8.444 10.228 767 HA ILE 94 HA ILE 94 4.149 11.168 10.999 768 HB ILE 94 HB ILE 94 3.524 9.756 8.403 769 HG12 ILE 94 HG12 ILE 94 5.579 11.360 7.804 770 HG13 ILE 94 HG13 ILE 94 5.949 11.084 9.502 771 HG21 ILE 94 HG21 ILE 94 3.576 12.154 7.536 772 HG22 ILE 94 HG22 ILE 94 2.156 11.658 8.456 773 HG23 ILE 94 HG23 ILE 94 3.403 12.641 9.223 774 HD11 ILE 94 HD11 ILE 94 6.507 9.426 7.295 775 HD12 ILE 94 HD12 ILE 94 6.839 9.128 9.003 776 HD13 ILE 94 HD13 ILE 94 5.317 8.589 8.293 777 H ARG 95 H ARG 95 2.271 8.281 10.712 778 HA ARG 95 HA ARG 95 -0.279 9.258 10.251 779 HB2 ARG 95 HB2 ARG 95 0.861 6.867 11.557 780 HB3 ARG 95 HB3 ARG 95 -0.789 7.263 12.018 781 HG2 ARG 95 HG2 ARG 95 0.101 6.999 9.160 782 HG3 ARG 95 HG3 ARG 95 -0.542 5.656 10.107 783 HD2 ARG 95 HD2 ARG 95 -2.517 7.284 10.573 784 HD3 ARG 95 HD3 ARG 95 -1.917 8.132 9.149 785 HE ARG 95 HE ARG 95 -2.110 5.582 8.289 786 HH11 ARG 95 HH11 ARG 95 -4.328 7.709 9.925 787 HH12 ARG 95 HH12 ARG 95 -5.739 6.996 9.217 788 HH21 ARG 95 HH21 ARG 95 -3.960 4.635 7.350 789 HH22 ARG 95 HH22 ARG 95 -5.528 5.246 7.753 790 H TYR 96 H TYR 96 1.676 9.419 13.130 791 HA TYR 96 HA TYR 96 -0.551 10.372 14.746 792 HB2 TYR 96 HB2 TYR 96 2.321 10.251 15.636 793 HB3 TYR 96 HB3 TYR 96 0.861 10.155 16.616 794 HD1 TYR 96 HD1 TYR 96 3.112 8.306 14.383 795 HD2 TYR 96 HD2 TYR 96 -0.338 8.072 16.862 796 HE1 TYR 96 HE1 TYR 96 3.228 5.851 14.303 797 HE2 TYR 96 HE2 TYR 96 -0.229 5.616 16.790 798 HH TYR 96 HH TYR 96 1.303 3.852 16.349 799 H GLY 97 H GLY 97 2.719 11.552 13.919 800 HA2 GLY 97 HA2 GLY 97 2.483 14.127 14.891 801 HA3 GLY 97 HA3 GLY 97 3.491 13.678 13.522 802 H TYR 98 H TYR 98 1.119 12.775 11.982 803 HA TYR 98 HA TYR 98 0.015 15.428 11.327 804 HB2 TYR 98 HB2 TYR 98 1.179 13.308 9.600 805 HB3 TYR 98 HB3 TYR 98 -0.216 14.176 8.971 806 HD1 TYR 98 HD2 TYR 98 3.229 14.617 10.264 807 HD2 TYR 98 HD1 TYR 98 0.004 16.360 8.104 808 HE1 TYR 98 HE2 TYR 98 4.699 16.463 9.570 809 HE2 TYR 98 HE1 TYR 98 1.466 18.209 7.402 810 HH TYR 98 HH TYR 98 3.471 19.280 7.946 Start of MODEL 17 1 H1 MET 1 H MET 1 8.976 7.328 17.041 2 HA MET 1 HA MET 1 10.485 8.634 19.093 3 HB2 MET 1 HB2 MET 1 11.202 6.578 17.005 4 HB3 MET 1 HB3 MET 1 12.374 7.214 18.153 5 HG2 MET 1 HG2 MET 1 11.730 5.359 19.280 6 HG3 MET 1 HG3 MET 1 10.526 6.490 19.893 7 HE1 MET 1 HE1 MET 1 9.192 2.896 19.620 8 HE2 MET 1 HE2 MET 1 10.382 2.669 18.339 9 HE3 MET 1 HE3 MET 1 10.839 3.492 19.832 10 H GLY 2 H GLY 2 10.449 8.708 15.558 11 HA2 GLY 2 HA2 GLY 2 11.293 11.348 15.331 12 HA3 GLY 2 HA3 GLY 2 12.738 10.351 15.256 13 H LYS 3 H LYS 3 12.462 11.725 13.097 14 HA LYS 3 HA LYS 3 10.905 10.190 11.148 15 HB2 LYS 3 HB2 LYS 3 12.286 12.870 10.975 16 HB3 LYS 3 HB3 LYS 3 11.533 12.078 9.597 17 HG2 LYS 3 HG2 LYS 3 9.934 12.524 12.071 18 HG3 LYS 3 HG3 LYS 3 10.235 13.874 10.972 19 HD2 LYS 3 HD2 LYS 3 9.434 12.207 9.139 20 HD3 LYS 3 HD3 LYS 3 8.710 11.343 10.497 21 HE2 LYS 3 HE2 LYS 3 8.252 14.276 10.261 22 HE3 LYS 3 HE3 LYS 3 7.377 13.196 9.175 23 HZ1 LYS 3 HZ1 LYS 3 7.146 12.076 11.679 24 HZ2 LYS 3 HZ2 LYS 3 5.941 12.894 10.818 25 HZ3 LYS 3 HZ3 LYS 3 6.909 13.734 11.922 26 H LEU 4 H LEU 4 12.200 8.355 10.946 27 HA LEU 4 HA LEU 4 14.999 8.502 10.417 28 HB2 LEU 4 HB2 LEU 4 13.920 6.548 11.450 29 HB3 LEU 4 HB3 LEU 4 13.064 6.239 9.940 30 HG LEU 4 HG LEU 4 15.428 6.036 8.911 31 HD11 LEU 4 HD11 LEU 4 16.329 6.877 11.255 32 HD12 LEU 4 HD12 LEU 4 17.240 5.746 10.254 33 HD13 LEU 4 HD13 LEU 4 16.282 5.150 11.610 34 HD21 LEU 4 HD21 LEU 4 15.500 3.672 9.466 35 HD22 LEU 4 HD22 LEU 4 13.837 4.187 9.183 36 HD23 LEU 4 HD23 LEU 4 14.417 3.940 10.831 37 H LYS 5 H LYS 5 16.039 8.762 8.548 38 HA LYS 5 HA LYS 5 14.476 8.586 6.054 39 HB2 LYS 5 HB2 LYS 5 16.153 10.317 5.193 40 HB3 LYS 5 HB3 LYS 5 14.923 10.878 6.319 41 HG2 LYS 5 HG2 LYS 5 16.580 10.686 8.151 42 HG3 LYS 5 HG3 LYS 5 17.803 10.264 6.949 43 HD2 LYS 5 HD2 LYS 5 18.171 12.512 7.075 44 HD3 LYS 5 HD3 LYS 5 16.929 12.498 5.821 45 HE2 LYS 5 HE2 LYS 5 16.183 12.723 8.714 46 HE3 LYS 5 HE3 LYS 5 16.703 14.143 7.808 47 HZ1 LYS 5 HZ1 LYS 5 14.402 14.125 7.591 48 HZ2 LYS 5 HZ2 LYS 5 14.323 12.451 7.365 49 HZ3 LYS 5 HZ3 LYS 5 14.932 13.442 6.137 50 H TRP 6 H TRP 6 16.773 7.069 7.775 51 HA TRP 6 HA TRP 6 18.723 6.579 5.717 52 HB2 TRP 6 HB2 TRP 6 18.244 5.401 8.450 53 HB3 TRP 6 HB3 TRP 6 19.488 4.779 7.370 54 HD1 TRP 6 HD1 TRP 6 18.872 8.537 7.497 55 HE1 TRP 6 HE1 TRP 6 20.908 9.678 8.580 56 HE3 TRP 6 HE3 TRP 6 21.393 4.376 9.066 57 HZ2 TRP 6 HZ2 TRP 6 23.272 8.915 9.921 58 HZ3 TRP 6 HZ3 TRP 6 23.536 4.669 10.240 59 HH2 TRP 6 HH2 TRP 6 24.454 6.892 10.658 60 H PHE 7 H PHE 7 19.238 4.290 5.068 61 HA PHE 7 HA PHE 7 16.801 3.051 4.086 62 HB2 PHE 7 HB2 PHE 7 18.370 1.643 2.748 63 HB3 PHE 7 HB3 PHE 7 18.569 3.371 2.475 64 HD1 PHE 7 HD2 PHE 7 20.001 0.443 4.216 65 HD2 PHE 7 HD1 PHE 7 20.619 4.441 2.892 66 HE1 PHE 7 HE2 PHE 7 22.395 0.247 4.749 67 HE2 PHE 7 HE1 PHE 7 23.014 4.251 3.421 68 HZ PHE 7 HZ PHE 7 23.906 2.152 4.352 69 H SER 8 H SER 8 19.301 2.475 6.425 70 HA SER 8 HA SER 8 18.949 -0.304 6.764 71 HB2 SER 8 HB2 SER 8 20.927 0.646 7.671 72 HB3 SER 8 HB3 SER 8 20.021 1.859 8.576 73 HG SER 8 HG SER 8 20.705 0.176 9.938 74 H GLY 9 H GLY 9 17.157 -1.303 7.383 75 HA2 GLY 9 HA2 GLY 9 15.280 0.123 9.149 76 HA3 GLY 9 HA3 GLY 9 14.859 -1.209 8.083 77 H GLY 10 H GLY 10 15.416 -3.350 8.690 78 HA2 GLY 10 HA2 GLY 10 16.810 -4.106 10.976 79 HA3 GLY 10 HA3 GLY 10 15.140 -3.857 11.465 80 H LYS 11 H LYS 11 13.968 -5.642 11.489 81 HA LYS 11 HA LYS 11 14.864 -8.008 10.098 82 HB2 LYS 11 HB2 LYS 11 13.874 -7.972 12.435 83 HB3 LYS 11 HB3 LYS 11 12.315 -7.676 11.678 84 HG2 LYS 11 HG2 LYS 11 12.500 -10.007 12.155 85 HG3 LYS 11 HG3 LYS 11 12.590 -9.788 10.406 86 HD2 LYS 11 HD2 LYS 11 15.210 -9.672 11.629 87 HD3 LYS 11 HD3 LYS 11 14.384 -11.184 12.011 88 HE2 LYS 11 HE2 LYS 11 14.502 -10.118 9.207 89 HE3 LYS 11 HE3 LYS 11 15.812 -11.089 9.880 90 HZ1 LYS 11 HZ1 LYS 11 14.111 -12.812 10.386 91 HZ2 LYS 11 HZ2 LYS 11 14.347 -12.539 8.734 92 HZ3 LYS 11 HZ3 LYS 11 12.984 -11.904 9.508 93 H GLU 12 H GLU 12 14.394 -6.315 8.132 94 HA GLU 12 HA GLU 12 13.164 -5.841 6.265 95 HB2 GLU 12 HB2 GLU 12 11.863 -8.522 6.518 96 HB3 GLU 12 HB3 GLU 12 12.485 -7.716 5.084 97 HG2 GLU 12 HG2 GLU 12 14.767 -8.128 5.828 98 HG3 GLU 12 HG3 GLU 12 14.156 -8.915 7.282 99 H ARG 13 H ARG 13 11.948 -5.050 8.753 100 HA ARG 13 HA ARG 13 9.177 -5.677 8.755 101 HB2 ARG 13 HB2 ARG 13 10.222 -4.904 10.784 102 HB3 ARG 13 HB3 ARG 13 10.723 -3.407 10.009 103 HG2 ARG 13 HG2 ARG 13 8.564 -2.541 10.003 104 HG3 ARG 13 HG3 ARG 13 7.828 -4.127 10.237 105 HD2 ARG 13 HD2 ARG 13 7.795 -2.654 12.256 106 HD3 ARG 13 HD3 ARG 13 8.570 -4.219 12.501 107 HE ARG 13 HE ARG 13 10.529 -3.130 12.936 108 HH11 ARG 13 HH11 ARG 13 8.366 -0.945 11.304 109 HH12 ARG 13 HH12 ARG 13 9.397 0.432 11.501 110 HH21 ARG 13 HH21 ARG 13 11.897 -1.324 13.203 111 HH22 ARG 13 HH22 ARG 13 11.407 0.216 12.582 112 H SER 14 H SER 14 11.129 -3.343 7.083 113 HA SER 14 HA SER 14 8.997 -1.583 6.361 114 HB2 SER 14 HB2 SER 14 11.843 -1.933 5.470 115 HB3 SER 14 HB3 SER 14 10.757 -0.879 4.564 116 HG SER 14 HG SER 14 10.349 -0.127 6.955 117 H ASN 15 H ASN 15 10.514 -4.394 4.898 118 HA ASN 15 HA ASN 15 9.282 -4.151 2.355 119 HB2 ASN 15 HB2 ASN 15 11.172 -5.536 2.389 120 HB3 ASN 15 HB3 ASN 15 10.629 -6.402 3.823 121 HD21 ASN 15 HD21 ASN 15 9.259 -8.116 3.616 122 HD22 ASN 15 HD22 ASN 15 8.813 -8.797 2.092 123 H GLN 16 H GLN 16 8.115 -5.112 5.408 124 HA GLN 16 HA GLN 16 6.169 -7.001 4.733 125 HB2 GLN 16 HB2 GLN 16 6.826 -6.481 7.048 126 HB3 GLN 16 HB3 GLN 16 6.062 -4.903 6.907 127 HG2 GLN 16 HG2 GLN 16 4.223 -5.831 7.715 128 HG3 GLN 16 HG3 GLN 16 4.073 -6.688 6.182 129 HE21 GLN 16 HE21 GLN 16 4.519 -6.970 9.513 130 HE22 GLN 16 HE22 GLN 16 4.843 -8.666 9.578 131 H ALA 17 H ALA 17 5.871 -3.464 5.029 132 HA ALA 17 HA ALA 17 3.202 -3.175 4.407 133 HB1 ALA 17 HB1 ALA 17 3.622 -0.947 4.169 134 HB2 ALA 17 HB2 ALA 17 5.106 -1.435 4.988 135 HB3 ALA 17 HB3 ALA 17 5.097 -1.209 3.238 136 H GLU 18 H GLU 18 5.945 -3.205 2.131 137 HA GLU 18 HA GLU 18 4.525 -2.861 -0.225 138 HB2 GLU 18 HB2 GLU 18 6.945 -2.770 -0.176 139 HB3 GLU 18 HB3 GLU 18 7.034 -4.467 0.275 140 HG2 GLU 18 HG2 GLU 18 5.576 -3.920 -2.211 141 HG3 GLU 18 HG3 GLU 18 7.294 -3.529 -2.246 142 H ASN 19 H ASN 19 5.418 -5.908 1.382 143 HA ASN 19 HA ASN 19 4.250 -7.652 -0.458 144 HB2 ASN 19 HB2 ASN 19 5.698 -8.621 1.127 145 HB3 ASN 19 HB3 ASN 19 4.845 -7.890 2.483 146 HD21 ASN 19 HD21 ASN 19 4.308 -9.666 3.608 147 HD22 ASN 19 HD22 ASN 19 3.295 -10.932 3.013 148 H ILE 20 H ILE 20 2.874 -6.020 2.355 149 HA ILE 20 HA ILE 20 0.395 -7.315 2.414 150 HB ILE 20 HB ILE 20 1.067 -4.476 3.195 151 HG12 ILE 20 HG12 ILE 20 0.607 -6.719 5.119 152 HG13 ILE 20 HG13 ILE 20 2.161 -6.607 4.302 153 HG21 ILE 20 HG21 ILE 20 -0.976 -4.595 4.574 154 HG22 ILE 20 HG22 ILE 20 -1.314 -4.686 2.847 155 HG23 ILE 20 HG23 ILE 20 -1.360 -6.147 3.832 156 HD11 ILE 20 HD11 ILE 20 1.624 -5.427 6.641 157 HD12 ILE 20 HD12 ILE 20 2.799 -4.803 5.483 158 HD13 ILE 20 HD13 ILE 20 1.172 -4.127 5.540 159 H ILE 21 H ILE 21 1.309 -4.258 0.827 160 HA ILE 21 HA ILE 21 -1.112 -3.582 -0.297 161 HB ILE 21 HB ILE 21 1.622 -3.242 -1.537 162 HG12 ILE 21 HG12 ILE 21 -0.010 -1.297 0.106 163 HG13 ILE 21 HG13 ILE 21 1.306 -2.271 0.750 164 HG21 ILE 21 HG21 ILE 21 -1.070 -2.137 -2.238 165 HG22 ILE 21 HG22 ILE 21 0.397 -1.228 -2.598 166 HG23 ILE 21 HG23 ILE 21 0.162 -2.832 -3.293 167 HD11 ILE 21 HD11 ILE 21 2.130 -0.081 0.301 168 HD12 ILE 21 HD12 ILE 21 2.821 -1.181 -0.892 169 HD13 ILE 21 HD13 ILE 21 1.486 -0.119 -1.340 170 H THR 22 H THR 22 1.344 -5.795 -1.570 171 HA THR 22 HA THR 22 0.196 -6.319 -4.055 172 HB THR 22 HB THR 22 1.755 -8.256 -2.333 173 HG1 THR 22 HG1 THR 22 3.330 -6.900 -2.713 174 HG21 THR 22 HG21 THR 22 0.897 -8.256 -5.194 175 HG22 THR 22 HG22 THR 22 0.953 -9.586 -4.038 176 HG23 THR 22 HG23 THR 22 2.443 -8.982 -4.760 177 H ASP 23 H ASP 23 -0.643 -7.473 -0.880 178 HA ASP 23 HA ASP 23 -2.131 -9.745 -1.578 179 HB2 ASP 23 HB2 ASP 23 -1.401 -8.925 0.753 180 HB3 ASP 23 HB3 ASP 23 -2.860 -7.938 0.716 181 H LEU 24 H LEU 24 -3.503 -6.614 -0.564 182 HA LEU 24 HA LEU 24 -6.092 -7.029 -1.366 183 HB2 LEU 24 HB2 LEU 24 -4.519 -4.461 -1.466 184 HB3 LEU 24 HB3 LEU 24 -6.274 -4.568 -1.579 185 HG LEU 24 HG LEU 24 -4.535 -5.162 0.806 186 HD11 LEU 24 HD11 LEU 24 -6.355 -3.509 1.730 187 HD12 LEU 24 HD12 LEU 24 -6.476 -3.044 0.032 188 HD13 LEU 24 HD13 LEU 24 -4.933 -2.912 0.875 189 HD21 LEU 24 HD21 LEU 24 -6.728 -5.674 1.940 190 HD22 LEU 24 HD22 LEU 24 -6.144 -6.901 0.815 191 HD23 LEU 24 HD23 LEU 24 -7.437 -5.803 0.329 192 H LEU 25 H LEU 25 -3.343 -6.066 -3.330 193 HA LEU 25 HA LEU 25 -4.638 -5.262 -5.649 194 HB2 LEU 25 HB2 LEU 25 -1.982 -6.205 -4.915 195 HB3 LEU 25 HB3 LEU 25 -2.424 -6.624 -6.568 196 HG LEU 25 HG LEU 25 -1.143 -4.514 -6.385 197 HD11 LEU 25 HD11 LEU 25 -3.031 -3.118 -7.584 198 HD12 LEU 25 HD12 LEU 25 -3.873 -4.667 -7.552 199 HD13 LEU 25 HD13 LEU 25 -2.305 -4.532 -8.349 200 HD21 LEU 25 HD21 LEU 25 -1.698 -2.846 -5.009 201 HD22 LEU 25 HD22 LEU 25 -2.746 -4.018 -4.207 202 HD23 LEU 25 HD23 LEU 25 -3.406 -2.942 -5.439 203 H ASP 26 H ASP 26 -3.517 -8.530 -4.784 204 HA ASP 26 HA ASP 26 -4.511 -9.810 -7.083 205 HB2 ASP 26 HB2 ASP 26 -2.848 -10.691 -5.325 206 HB3 ASP 26 HB3 ASP 26 -4.273 -11.154 -4.399 207 H ASP 27 H ASP 27 -5.922 -9.360 -3.859 208 HA ASP 27 HA ASP 27 -8.274 -10.822 -4.281 209 HB2 ASP 27 HB2 ASP 27 -7.674 -8.488 -2.461 210 HB3 ASP 27 HB3 ASP 27 -9.205 -9.359 -2.432 211 H LEU 28 H LEU 28 -7.364 -7.587 -5.210 212 HA LEU 28 HA LEU 28 -9.971 -6.626 -5.788 213 HB2 LEU 28 HB2 LEU 28 -7.200 -5.788 -6.528 214 HB3 LEU 28 HB3 LEU 28 -8.585 -5.038 -7.319 215 HG LEU 28 HG LEU 28 -8.025 -5.016 -4.353 216 HD11 LEU 28 HD11 LEU 28 -7.514 -2.681 -4.640 217 HD12 LEU 28 HD12 LEU 28 -7.868 -2.778 -6.365 218 HD13 LEU 28 HD13 LEU 28 -6.478 -3.637 -5.700 219 HD21 LEU 28 HD21 LEU 28 -9.864 -3.079 -4.827 220 HD22 LEU 28 HD22 LEU 28 -10.245 -4.702 -4.252 221 HD23 LEU 28 HD23 LEU 28 -10.373 -4.321 -5.970 222 H LYS 29 H LYS 29 -7.745 -8.655 -7.477 223 HA LYS 29 HA LYS 29 -8.403 -8.313 -10.122 224 HB2 LYS 29 HB2 LYS 29 -7.461 -10.385 -10.517 225 HB3 LYS 29 HB3 LYS 29 -6.777 -9.991 -8.945 226 HG2 LYS 29 HG2 LYS 29 -8.802 -11.290 -8.001 227 HG3 LYS 29 HG3 LYS 29 -8.921 -11.956 -9.632 228 HD2 LYS 29 HD2 LYS 29 -6.260 -11.966 -8.303 229 HD3 LYS 29 HD3 LYS 29 -7.471 -13.126 -7.749 230 HE2 LYS 29 HE2 LYS 29 -6.919 -12.818 -10.672 231 HE3 LYS 29 HE3 LYS 29 -5.827 -13.770 -9.668 232 HZ1 LYS 29 HZ1 LYS 29 -8.107 -14.819 -8.904 233 HZ2 LYS 29 HZ2 LYS 29 -7.283 -15.380 -10.270 234 HZ3 LYS 29 HZ3 LYS 29 -8.587 -14.318 -10.447 235 H THR 30 H THR 30 -10.289 -9.803 -7.590 236 HA THR 30 HA THR 30 -12.250 -10.883 -9.424 237 HB THR 30 HB THR 30 -13.415 -11.701 -7.499 238 HG1 THR 30 HG1 THR 30 -12.401 -11.058 -5.359 239 HG21 THR 30 HG21 THR 30 -10.503 -11.918 -6.763 240 HG22 THR 30 HG22 THR 30 -11.196 -12.758 -8.151 241 HG23 THR 30 HG23 THR 30 -11.783 -13.107 -6.525 242 H ASP 31 H ASP 31 -11.888 -8.096 -7.319 243 HA ASP 31 HA ASP 31 -14.562 -7.203 -7.399 244 HB2 ASP 31 HB2 ASP 31 -12.712 -6.432 -5.827 245 HB3 ASP 31 HB3 ASP 31 -12.141 -5.418 -7.151 246 H LEU 32 H LEU 32 -15.697 -6.117 -8.888 247 HA LEU 32 HA LEU 32 -14.398 -5.543 -11.437 248 HB2 LEU 32 HB2 LEU 32 -17.239 -5.855 -10.549 249 HB3 LEU 32 HB3 LEU 32 -16.863 -5.066 -12.080 250 HG LEU 32 HG LEU 32 -17.439 -7.378 -12.462 251 HD11 LEU 32 HD11 LEU 32 -15.298 -6.122 -13.504 252 HD12 LEU 32 HD12 LEU 32 -15.838 -7.723 -14.006 253 HD13 LEU 32 HD13 LEU 32 -14.526 -7.562 -12.840 254 HD21 LEU 32 HD21 LEU 32 -15.084 -8.514 -11.140 255 HD22 LEU 32 HD22 LEU 32 -16.740 -9.114 -11.227 256 HD23 LEU 32 HD23 LEU 32 -16.309 -7.884 -10.038 257 H ASP 33 H ASP 33 -13.684 -3.803 -9.385 258 HA ASP 33 HA ASP 33 -14.528 -1.291 -10.541 259 HB2 ASP 33 HB2 ASP 33 -16.069 -2.084 -8.495 260 HB3 ASP 33 HB3 ASP 33 -14.764 -1.333 -7.579 261 H ASN 34 H ASN 34 -13.451 0.546 -9.030 262 HA ASN 34 HA ASN 34 -11.402 1.538 -8.738 263 HB2 ASN 34 HB2 ASN 34 -10.220 0.710 -6.783 264 HB3 ASN 34 HB3 ASN 34 -11.956 0.615 -6.502 265 HD21 ASN 34 HD21 ASN 34 -12.952 -1.383 -6.390 266 HD22 ASN 34 HD22 ASN 34 -12.060 -2.852 -6.208 267 H GLU 35 H GLU 35 -11.415 -0.083 -11.036 268 HA GLU 35 HA GLU 35 -9.168 -1.822 -11.124 269 HB2 GLU 35 HB2 GLU 35 -10.918 -0.530 -13.185 270 HB3 GLU 35 HB3 GLU 35 -9.444 -1.350 -13.680 271 HG2 GLU 35 HG2 GLU 35 -10.385 -3.314 -12.258 272 HG3 GLU 35 HG3 GLU 35 -11.922 -2.479 -12.471 273 H SER 36 H SER 36 -9.609 1.605 -11.567 274 HA SER 36 HA SER 36 -6.914 1.941 -12.626 275 HB2 SER 36 HB2 SER 36 -8.975 4.061 -11.981 276 HB3 SER 36 HB3 SER 36 -7.506 4.272 -12.932 277 HG SER 36 HG SER 36 -8.372 3.054 -14.547 278 H LEU 37 H LEU 37 -8.637 2.158 -9.648 279 HA LEU 37 HA LEU 37 -7.064 3.971 -8.225 280 HB2 LEU 37 HB2 LEU 37 -9.205 3.053 -7.436 281 HB3 LEU 37 HB3 LEU 37 -8.430 1.489 -7.192 282 HG LEU 37 HG LEU 37 -8.835 2.990 -5.149 283 HD11 LEU 37 HD11 LEU 37 -6.965 1.052 -5.732 284 HD12 LEU 37 HD12 LEU 37 -7.356 1.674 -4.129 285 HD13 LEU 37 HD13 LEU 37 -6.004 2.355 -5.034 286 HD21 LEU 37 HD21 LEU 37 -7.953 5.046 -6.213 287 HD22 LEU 37 HD22 LEU 37 -6.347 4.317 -6.218 288 HD23 LEU 37 HD23 LEU 37 -7.158 4.655 -4.688 289 H LYS 38 H LYS 38 -6.521 0.615 -9.043 290 HA LYS 38 HA LYS 38 -4.559 -0.119 -7.256 291 HB2 LYS 38 HB2 LYS 38 -4.700 -0.766 -10.207 292 HB3 LYS 38 HB3 LYS 38 -3.712 -1.623 -9.032 293 HG2 LYS 38 HG2 LYS 38 -5.527 -2.635 -8.041 294 HG3 LYS 38 HG3 LYS 38 -6.655 -1.396 -8.598 295 HD2 LYS 38 HD2 LYS 38 -7.216 -3.039 -10.064 296 HD3 LYS 38 HD3 LYS 38 -5.874 -2.336 -10.970 297 HE2 LYS 38 HE2 LYS 38 -4.422 -4.033 -9.661 298 HE3 LYS 38 HE3 LYS 38 -5.951 -4.853 -9.345 299 HZ1 LYS 38 HZ1 LYS 38 -4.433 -4.655 -11.801 300 HZ2 LYS 38 HZ2 LYS 38 -6.102 -4.444 -11.983 301 HZ3 LYS 38 HZ3 LYS 38 -5.500 -5.860 -11.281 302 H LYS 39 H LYS 39 -4.367 2.131 -9.893 303 HA LYS 39 HA LYS 39 -1.656 2.228 -10.409 304 HB2 LYS 39 HB2 LYS 39 -2.004 4.391 -11.295 305 HB3 LYS 39 HB3 LYS 39 -3.527 3.542 -11.530 306 HG2 LYS 39 HG2 LYS 39 -4.148 4.640 -9.239 307 HG3 LYS 39 HG3 LYS 39 -2.864 5.773 -9.672 308 HD2 LYS 39 HD2 LYS 39 -4.088 6.726 -11.303 309 HD3 LYS 39 HD3 LYS 39 -4.763 5.183 -11.833 310 HE2 LYS 39 HE2 LYS 39 -6.115 5.313 -9.620 311 HE3 LYS 39 HE3 LYS 39 -5.712 7.029 -9.676 312 HZ1 LYS 39 HZ1 LYS 39 -6.610 6.309 -12.207 313 HZ2 LYS 39 HZ2 LYS 39 -7.381 7.308 -11.080 314 HZ3 LYS 39 HZ3 LYS 39 -7.707 5.649 -11.101 315 H VAL 40 H VAL 40 -3.454 3.632 -7.727 316 HA VAL 40 HA VAL 40 -1.320 5.171 -6.670 317 HB VAL 40 HB VAL 40 -3.961 4.247 -5.643 318 HG11 VAL 40 HG11 VAL 40 -3.387 5.387 -3.451 319 HG12 VAL 40 HG12 VAL 40 -2.688 3.787 -3.711 320 HG13 VAL 40 HG13 VAL 40 -1.696 5.230 -3.927 321 HG21 VAL 40 HG21 VAL 40 -2.949 6.997 -5.269 322 HG22 VAL 40 HG22 VAL 40 -3.184 6.467 -6.935 323 HG23 VAL 40 HG23 VAL 40 -4.532 6.432 -5.800 324 H LEU 41 H LEU 41 -2.706 2.063 -5.595 325 HA LEU 41 HA LEU 41 -0.847 1.512 -3.600 326 HB2 LEU 41 HB2 LEU 41 -2.558 -0.234 -5.332 327 HB3 LEU 41 HB3 LEU 41 -1.449 -0.934 -4.154 328 HG LEU 41 HG LEU 41 -3.660 -0.856 -3.216 329 HD11 LEU 41 HD11 LEU 41 -1.608 -0.258 -1.830 330 HD12 LEU 41 HD12 LEU 41 -3.182 0.181 -1.171 331 HD13 LEU 41 HD13 LEU 41 -2.170 1.410 -1.930 332 HD21 LEU 41 HD21 LEU 41 -5.062 0.962 -3.205 333 HD22 LEU 41 HD22 LEU 41 -4.240 1.189 -4.749 334 HD23 LEU 41 HD23 LEU 41 -3.740 2.122 -3.337 335 H GLU 42 H GLU 42 -0.845 0.407 -6.988 336 HA GLU 42 HA GLU 42 1.541 -1.016 -6.932 337 HB2 GLU 42 HB2 GLU 42 0.068 0.430 -9.108 338 HB3 GLU 42 HB3 GLU 42 1.631 -0.302 -9.436 339 HG2 GLU 42 HG2 GLU 42 0.317 -2.332 -8.182 340 HG3 GLU 42 HG3 GLU 42 -0.986 -1.540 -9.065 341 H ASN 43 H ASN 43 1.034 2.383 -7.873 342 HA ASN 43 HA ASN 43 3.642 3.079 -8.435 343 HB2 ASN 43 HB2 ASN 43 1.252 4.573 -7.472 344 HB3 ASN 43 HB3 ASN 43 2.810 5.391 -7.391 345 HD21 ASN 43 HD21 ASN 43 1.564 3.088 -9.765 346 HD22 ASN 43 HD22 ASN 43 1.688 4.150 -11.121 347 H TYR 44 H TYR 44 2.055 3.890 -5.346 348 HA TYR 44 HA TYR 44 4.328 4.569 -3.937 349 HB2 TYR 44 HB2 TYR 44 1.666 3.471 -3.086 350 HB3 TYR 44 HB3 TYR 44 2.930 3.754 -1.894 351 HD1 TYR 44 HD1 TYR 44 4.150 6.217 -2.540 352 HD2 TYR 44 HD2 TYR 44 0.066 5.123 -3.019 353 HE1 TYR 44 HE1 TYR 44 3.507 8.587 -2.417 354 HE2 TYR 44 HE2 TYR 44 -0.589 7.491 -2.899 355 HH TYR 44 HH TYR 44 1.662 10.033 -3.111 356 H LEU 45 H LEU 45 2.893 1.379 -4.410 357 HA LEU 45 HA LEU 45 4.436 -0.082 -2.611 358 HB2 LEU 45 HB2 LEU 45 2.603 -1.169 -3.589 359 HB3 LEU 45 HB3 LEU 45 3.141 -0.787 -5.223 360 HG LEU 45 HG LEU 45 4.913 -2.537 -3.627 361 HD11 LEU 45 HD11 LEU 45 2.679 -3.939 -4.942 362 HD12 LEU 45 HD12 LEU 45 2.303 -3.139 -3.417 363 HD13 LEU 45 HD13 LEU 45 3.583 -4.351 -3.484 364 HD21 LEU 45 HD21 LEU 45 4.345 -1.887 -6.391 365 HD22 LEU 45 HD22 LEU 45 4.377 -3.629 -6.119 366 HD23 LEU 45 HD23 LEU 45 5.771 -2.643 -5.678 367 H GLU 46 H GLU 46 5.145 0.966 -5.900 368 HA GLU 46 HA GLU 46 7.535 -0.526 -6.203 369 HB2 GLU 46 HB2 GLU 46 6.066 1.484 -7.699 370 HB3 GLU 46 HB3 GLU 46 7.802 1.744 -7.796 371 HG2 GLU 46 HG2 GLU 46 8.161 -0.137 -8.996 372 HG3 GLU 46 HG3 GLU 46 6.850 -1.020 -8.213 373 H GLU 47 H GLU 47 6.785 2.556 -4.753 374 HA GLU 47 HA GLU 47 9.290 3.751 -4.699 375 HB2 GLU 47 HB2 GLU 47 7.209 3.845 -2.508 376 HB3 GLU 47 HB3 GLU 47 8.494 5.015 -2.776 377 HG2 GLU 47 HG2 GLU 47 6.492 4.468 -4.923 378 HG3 GLU 47 HG3 GLU 47 6.091 5.537 -3.579 379 H LEU 48 H LEU 48 7.891 1.359 -2.501 380 HA LEU 48 HA LEU 48 9.910 1.338 -0.572 381 HB2 LEU 48 HB2 LEU 48 8.078 -0.851 -1.530 382 HB3 LEU 48 HB3 LEU 48 9.140 -1.013 -0.133 383 HG LEU 48 HG LEU 48 7.802 1.224 0.552 384 HD11 LEU 48 HD11 LEU 48 6.406 0.406 -1.680 385 HD12 LEU 48 HD12 LEU 48 5.816 1.490 -0.420 386 HD13 LEU 48 HD13 LEU 48 5.454 -0.234 -0.339 387 HD21 LEU 48 HD21 LEU 48 8.093 -1.219 1.575 388 HD22 LEU 48 HD22 LEU 48 6.392 -1.319 1.116 389 HD23 LEU 48 HD23 LEU 48 6.937 -0.052 2.217 390 H LYS 49 H LYS 49 9.856 0.093 -3.787 391 HA LYS 49 HA LYS 49 11.961 -1.812 -3.473 392 HB2 LYS 49 HB2 LYS 49 11.170 -0.463 -6.049 393 HB3 LYS 49 HB3 LYS 49 11.894 -2.051 -5.836 394 HG2 LYS 49 HG2 LYS 49 9.123 -1.281 -4.947 395 HG3 LYS 49 HG3 LYS 49 9.514 -2.162 -6.426 396 HD2 LYS 49 HD2 LYS 49 10.470 -3.975 -5.111 397 HD3 LYS 49 HD3 LYS 49 10.147 -3.085 -3.621 398 HE2 LYS 49 HE2 LYS 49 8.324 -4.471 -3.678 399 HE3 LYS 49 HE3 LYS 49 7.687 -3.074 -4.544 400 HZ1 LYS 49 HZ1 LYS 49 7.564 -5.561 -5.473 401 HZ2 LYS 49 HZ2 LYS 49 9.022 -5.071 -6.174 402 HZ3 LYS 49 HZ3 LYS 49 7.604 -4.198 -6.474 403 H GLN 50 H GLN 50 11.791 1.531 -4.640 404 HA GLN 50 HA GLN 50 14.613 1.671 -5.161 405 HB2 GLN 50 HB2 GLN 50 12.724 4.005 -4.894 406 HB3 GLN 50 HB3 GLN 50 14.230 3.931 -5.799 407 HG2 GLN 50 HG2 GLN 50 13.227 2.375 -7.374 408 HG3 GLN 50 HG3 GLN 50 11.724 2.398 -6.453 409 HE21 GLN 50 HE21 GLN 50 10.541 3.157 -8.198 410 HE22 GLN 50 HE22 GLN 50 10.669 4.784 -8.764 411 H LYS 51 H LYS 51 15.911 3.492 -4.150 412 HA LYS 51 HA LYS 51 15.502 3.420 -1.237 413 HB2 LYS 51 HB2 LYS 51 17.946 3.915 -1.102 414 HB3 LYS 51 HB3 LYS 51 17.572 2.374 -1.862 415 HG2 LYS 51 HG2 LYS 51 18.005 3.266 -4.038 416 HG3 LYS 51 HG3 LYS 51 18.176 4.897 -3.387 417 HD2 LYS 51 HD2 LYS 51 19.939 2.685 -2.407 418 HD3 LYS 51 HD3 LYS 51 20.303 3.509 -3.926 419 HE2 LYS 51 HE2 LYS 51 19.833 4.980 -1.343 420 HE3 LYS 51 HE3 LYS 51 21.428 4.417 -1.841 421 HZ1 LYS 51 HZ1 LYS 51 19.954 5.938 -3.824 422 HZ2 LYS 51 HZ2 LYS 51 21.592 6.001 -3.409 423 HZ3 LYS 51 HZ3 LYS 51 20.450 6.811 -2.461 424 H SER 52 H SER 52 14.510 5.348 -3.425 425 HA SER 52 HA SER 52 15.760 7.846 -2.664 426 HB2 SER 52 HB2 SER 52 15.020 7.482 -4.990 427 HB3 SER 52 HB3 SER 52 13.355 7.329 -4.430 428 HG SER 52 HG SER 52 14.114 9.472 -5.231 429 H ALA 53 H ALA 53 12.330 6.879 -2.765 430 HA ALA 53 HA ALA 53 11.605 8.793 -0.774 431 HB1 ALA 53 HB1 ALA 53 9.940 8.325 -2.356 432 HB2 ALA 53 HB2 ALA 53 10.119 6.581 -2.158 433 HB3 ALA 53 HB3 ALA 53 9.382 7.543 -0.876 434 H SER 54 H SER 54 11.244 8.539 1.371 435 HA SER 54 HA SER 54 12.463 6.330 2.693 436 HB2 SER 54 HB2 SER 54 11.263 8.894 3.457 437 HB3 SER 54 HB3 SER 54 11.003 7.615 4.642 438 HG SER 54 HG SER 54 13.271 7.270 4.632 439 H VAL 55 H VAL 55 11.530 4.702 3.926 440 HA VAL 55 HA VAL 55 9.287 3.430 2.950 441 HB VAL 55 HB VAL 55 10.828 3.212 5.484 442 HG11 VAL 55 HG11 VAL 55 8.058 2.141 5.082 443 HG12 VAL 55 HG12 VAL 55 9.224 1.295 6.103 444 HG13 VAL 55 HG13 VAL 55 8.746 2.949 6.491 445 HG21 VAL 55 HG21 VAL 55 9.971 0.973 3.698 446 HG22 VAL 55 HG22 VAL 55 11.248 2.074 3.182 447 HG23 VAL 55 HG23 VAL 55 11.438 1.137 4.664 448 HA PRO 56 HA PRO 56 6.666 5.276 6.570 449 HB2 PRO 56 HB2 PRO 56 7.768 7.313 7.984 450 HB3 PRO 56 HB3 PRO 56 7.971 5.616 8.430 451 HG2 PRO 56 HG2 PRO 56 9.842 7.422 6.949 452 HG3 PRO 56 HG3 PRO 56 10.199 6.252 8.232 453 HD2 PRO 56 HD2 PRO 56 10.627 5.717 5.612 454 HD3 PRO 56 HD3 PRO 56 10.168 4.461 6.781 455 H LEU 57 H LEU 57 8.611 7.145 4.433 456 HA LEU 57 HA LEU 57 6.955 9.498 4.480 457 HB2 LEU 57 HB2 LEU 57 9.218 9.855 3.934 458 HB3 LEU 57 HB3 LEU 57 9.212 8.566 2.732 459 HG LEU 57 HG LEU 57 7.740 9.964 1.309 460 HD11 LEU 57 HD11 LEU 57 6.661 11.664 2.237 461 HD12 LEU 57 HD12 LEU 57 8.201 12.516 2.344 462 HD13 LEU 57 HD13 LEU 57 7.630 11.551 3.706 463 HD21 LEU 57 HD21 LEU 57 9.855 10.185 0.529 464 HD22 LEU 57 HD22 LEU 57 10.499 10.688 2.093 465 HD23 LEU 57 HD23 LEU 57 9.625 11.843 1.086 466 H ILE 58 H ILE 58 7.043 6.504 2.739 467 HA ILE 58 HA ILE 58 5.260 7.444 0.651 468 HB ILE 58 HB ILE 58 6.306 4.669 1.220 469 HG12 ILE 58 HG12 ILE 58 7.134 6.160 -1.194 470 HG13 ILE 58 HG13 ILE 58 7.744 6.791 0.332 471 HG21 ILE 58 HG21 ILE 58 4.811 3.919 -0.236 472 HG22 ILE 58 HG22 ILE 58 4.178 5.551 -0.454 473 HG23 ILE 58 HG23 ILE 58 5.500 4.975 -1.470 474 HD11 ILE 58 HD11 ILE 58 9.298 5.225 -0.720 475 HD12 ILE 58 HD12 ILE 58 8.736 4.644 0.847 476 HD13 ILE 58 HD13 ILE 58 8.072 3.961 -0.636 477 H LEU 59 H LEU 59 5.147 5.022 3.261 478 HA LEU 59 HA LEU 59 2.480 4.271 2.941 479 HB2 LEU 59 HB2 LEU 59 4.108 4.383 5.475 480 HB3 LEU 59 HB3 LEU 59 2.599 3.496 5.269 481 HG LEU 59 HG LEU 59 5.165 2.921 3.789 482 HD11 LEU 59 HD11 LEU 59 4.137 2.058 6.392 483 HD12 LEU 59 HD12 LEU 59 5.777 2.022 5.746 484 HD13 LEU 59 HD13 LEU 59 4.636 0.744 5.327 485 HD21 LEU 59 HD21 LEU 59 2.665 1.252 3.966 486 HD22 LEU 59 HD22 LEU 59 4.072 0.994 2.934 487 HD23 LEU 59 HD23 LEU 59 2.999 2.363 2.636 488 H SER 60 H SER 60 3.893 7.065 4.462 489 HA SER 60 HA SER 60 1.667 7.858 6.012 490 HB2 SER 60 HB2 SER 60 3.910 8.772 6.391 491 HB3 SER 60 HB3 SER 60 3.873 9.547 4.807 492 HG SER 60 HG SER 60 3.299 10.988 6.500 493 H ARG 61 H ARG 61 2.843 9.216 2.927 494 HA ARG 61 HA ARG 61 0.508 10.728 2.441 495 HB2 ARG 61 HB2 ARG 61 2.908 9.943 0.868 496 HB3 ARG 61 HB3 ARG 61 1.505 10.508 -0.027 497 HG2 ARG 61 HG2 ARG 61 1.740 12.638 0.679 498 HG3 ARG 61 HG3 ARG 61 2.331 12.159 2.272 499 HD2 ARG 61 HD2 ARG 61 4.349 12.782 1.555 500 HD3 ARG 61 HD3 ARG 61 4.330 11.316 0.576 501 HE ARG 61 HE ARG 61 3.042 13.187 -0.946 502 HH11 ARG 61 HH11 ARG 61 6.163 12.954 0.579 503 HH12 ARG 61 HH12 ARG 61 6.961 13.933 -0.608 504 HH21 ARG 61 HH21 ARG 61 4.081 14.478 -2.514 505 HH22 ARG 61 HH22 ARG 61 5.775 14.800 -2.366 506 H MET 62 H MET 62 1.456 7.458 1.608 507 HA MET 62 HA MET 62 -0.347 6.842 -0.388 508 HB2 MET 62 HB2 MET 62 1.422 5.320 0.413 509 HB3 MET 62 HB3 MET 62 0.511 5.050 1.891 510 HG2 MET 62 HG2 MET 62 -1.275 4.010 0.651 511 HG3 MET 62 HG3 MET 62 -0.468 4.376 -0.872 512 HE1 MET 62 HE1 MET 62 -0.603 0.773 1.304 513 HE2 MET 62 HE2 MET 62 0.358 1.686 2.467 514 HE3 MET 62 HE3 MET 62 -1.167 2.345 1.874 515 H ASN 63 H ASN 63 -0.847 6.321 3.109 516 HA ASN 63 HA ASN 63 -3.487 5.496 3.000 517 HB2 ASN 63 HB2 ASN 63 -2.342 7.215 5.204 518 HB3 ASN 63 HB3 ASN 63 -3.630 6.020 5.332 519 HD21 ASN 63 HD21 ASN 63 -1.291 6.095 6.911 520 HD22 ASN 63 HD22 ASN 63 -0.390 4.655 6.590 521 H LEU 64 H LEU 64 -2.156 8.748 2.957 522 HA LEU 64 HA LEU 64 -4.647 10.093 3.274 523 HB2 LEU 64 HB2 LEU 64 -2.088 11.106 2.044 524 HB3 LEU 64 HB3 LEU 64 -3.437 12.091 2.609 525 HG LEU 64 HG LEU 64 -1.937 10.306 4.497 526 HD11 LEU 64 HD11 LEU 64 -0.102 11.542 4.396 527 HD12 LEU 64 HD12 LEU 64 -1.046 12.997 4.715 528 HD13 LEU 64 HD13 LEU 64 -0.795 12.457 3.056 529 HD21 LEU 64 HD21 LEU 64 -4.170 11.482 4.998 530 HD22 LEU 64 HD22 LEU 64 -3.212 12.962 5.053 531 HD23 LEU 64 HD23 LEU 64 -2.859 11.639 6.167 532 H ASP 65 H ASP 65 -2.971 8.692 0.590 533 HA ASP 65 HA ASP 65 -4.551 10.096 -1.395 534 HB2 ASP 65 HB2 ASP 65 -2.091 9.272 -1.623 535 HB3 ASP 65 HB3 ASP 65 -2.823 7.711 -1.982 536 H ILE 66 H ILE 66 -4.136 6.706 -0.373 537 HA ILE 66 HA ILE 66 -6.154 5.599 -1.939 538 HB ILE 66 HB ILE 66 -5.314 4.680 0.813 539 HG12 ILE 66 HG12 ILE 66 -4.215 3.937 -1.908 540 HG13 ILE 66 HG13 ILE 66 -3.397 4.938 -0.714 541 HG21 ILE 66 HG21 ILE 66 -6.023 2.613 -1.062 542 HG22 ILE 66 HG22 ILE 66 -6.664 2.936 0.548 543 HG23 ILE 66 HG23 ILE 66 -7.350 3.756 -0.854 544 HD11 ILE 66 HD11 ILE 66 -2.440 2.808 -0.531 545 HD12 ILE 66 HD12 ILE 66 -3.542 2.944 0.840 546 HD13 ILE 66 HD13 ILE 66 -4.011 2.007 -0.580 547 H SER 67 H SER 67 -6.325 6.732 1.434 548 HA SER 67 HA SER 67 -8.997 6.169 1.920 549 HB2 SER 67 HB2 SER 67 -7.567 6.852 3.729 550 HB3 SER 67 HB3 SER 67 -7.264 8.414 2.971 551 HG SER 67 HG SER 67 -9.272 7.687 4.601 552 H LYS 68 H LYS 68 -7.542 8.848 0.196 553 HA LYS 68 HA LYS 68 -9.907 10.435 0.044 554 HB2 LYS 68 HB2 LYS 68 -7.166 10.559 -0.961 555 HB3 LYS 68 HB3 LYS 68 -8.343 11.184 -2.110 556 HG2 LYS 68 HG2 LYS 68 -9.172 12.748 -0.460 557 HG3 LYS 68 HG3 LYS 68 -8.076 12.083 0.753 558 HD2 LYS 68 HD2 LYS 68 -6.947 13.975 0.015 559 HD3 LYS 68 HD3 LYS 68 -6.215 12.683 -0.939 560 HE2 LYS 68 HE2 LYS 68 -8.593 14.076 -2.055 561 HE3 LYS 68 HE3 LYS 68 -7.057 14.942 -2.042 562 HZ1 LYS 68 HZ1 LYS 68 -6.590 13.859 -3.905 563 HZ2 LYS 68 HZ2 LYS 68 -7.917 12.823 -3.740 564 HZ3 LYS 68 HZ3 LYS 68 -6.450 12.444 -2.989 565 H ALA 69 H ALA 69 -8.336 8.123 -2.131 566 HA ALA 69 HA ALA 69 -9.982 8.444 -4.356 567 HB1 ALA 69 HB1 ALA 69 -8.932 6.624 -5.216 568 HB2 ALA 69 HB2 ALA 69 -7.824 6.961 -3.886 569 HB3 ALA 69 HB3 ALA 69 -9.050 5.706 -3.715 570 H ILE 70 H ILE 70 -10.654 7.043 -1.295 571 HA ILE 70 HA ILE 70 -12.695 5.236 -2.015 572 HB ILE 70 HB ILE 70 -12.578 6.775 0.574 573 HG12 ILE 70 HG12 ILE 70 -11.013 4.341 -0.295 574 HG13 ILE 70 HG13 ILE 70 -10.369 5.891 0.235 575 HG21 ILE 70 HG21 ILE 70 -13.551 3.983 -0.011 576 HG22 ILE 70 HG22 ILE 70 -13.683 4.861 1.513 577 HG23 ILE 70 HG23 ILE 70 -14.592 5.402 0.102 578 HD11 ILE 70 HD11 ILE 70 -11.760 3.812 1.898 579 HD12 ILE 70 HD12 ILE 70 -10.087 4.356 2.013 580 HD13 ILE 70 HD13 ILE 70 -11.399 5.440 2.472 581 H ARG 71 H ARG 71 -13.184 8.336 -0.327 582 HA ARG 71 HA ARG 71 -15.902 8.541 -0.989 583 HB2 ARG 71 HB2 ARG 71 -15.657 10.934 -0.312 584 HB3 ARG 71 HB3 ARG 71 -15.029 9.789 0.867 585 HG2 ARG 71 HG2 ARG 71 -12.772 10.230 -0.426 586 HG3 ARG 71 HG3 ARG 71 -13.588 11.739 -0.841 587 HD2 ARG 71 HD2 ARG 71 -13.499 10.775 1.992 588 HD3 ARG 71 HD3 ARG 71 -12.129 11.638 1.294 589 HE ARG 71 HE ARG 71 -14.535 13.061 0.844 590 HH11 ARG 71 HH11 ARG 71 -12.234 12.276 3.337 591 HH12 ARG 71 HH12 ARG 71 -12.545 13.711 4.256 592 HH21 ARG 71 HH21 ARG 71 -14.952 14.955 2.046 593 HH22 ARG 71 HH22 ARG 71 -14.091 15.234 3.521 594 H ASN 72 H ASN 72 -13.045 10.062 -2.458 595 HA ASN 72 HA ASN 72 -14.313 11.623 -4.363 596 HB2 ASN 72 HB2 ASN 72 -11.629 10.328 -4.182 597 HB3 ASN 72 HB3 ASN 72 -12.114 11.028 -5.724 598 HD21 ASN 72 HD21 ASN 72 -11.831 11.761 -2.282 599 HD22 ASN 72 HD22 ASN 72 -11.453 13.435 -2.489 600 H ASP 73 H ASP 73 -12.620 8.648 -5.305 601 HA ASP 73 HA ASP 73 -13.962 8.272 -7.699 602 HB2 ASP 73 HB2 ASP 73 -11.870 7.067 -6.663 603 HB3 ASP 73 HB3 ASP 73 -13.065 5.895 -6.112 604 H GLY 74 H GLY 74 -14.606 6.627 -4.596 605 HA2 GLY 74 HA2 GLY 74 -16.926 6.474 -3.839 606 HA3 GLY 74 HA3 GLY 74 -17.386 6.244 -5.520 607 H VAL 75 H VAL 75 -14.585 4.675 -4.155 608 HA VAL 75 HA VAL 75 -15.656 2.091 -4.835 609 HB VAL 75 HB VAL 75 -13.516 1.194 -4.182 610 HG11 VAL 75 HG11 VAL 75 -13.574 2.231 -6.353 611 HG12 VAL 75 HG12 VAL 75 -13.251 3.816 -5.648 612 HG13 VAL 75 HG13 VAL 75 -12.012 2.561 -5.603 613 HG21 VAL 75 HG21 VAL 75 -12.377 2.058 -2.484 614 HG22 VAL 75 HG22 VAL 75 -12.030 3.490 -3.453 615 HG23 VAL 75 HG23 VAL 75 -13.467 3.444 -2.433 616 H THR 76 H THR 76 -14.817 0.358 -2.988 617 HA THR 76 HA THR 76 -15.755 1.175 -0.359 618 HB THR 76 HB THR 76 -17.041 -1.264 -1.534 619 HG1 THR 76 HG1 THR 76 -17.670 0.343 -2.961 620 HG21 THR 76 HG21 THR 76 -17.027 -0.447 0.968 621 HG22 THR 76 HG22 THR 76 -18.490 -1.120 0.249 622 HG23 THR 76 HG23 THR 76 -18.304 0.627 0.397 623 H LEU 77 H LEU 77 -14.575 0.230 1.174 624 HA LEU 77 HA LEU 77 -12.615 -1.749 0.459 625 HB2 LEU 77 HB2 LEU 77 -13.165 -0.991 3.286 626 HB3 LEU 77 HB3 LEU 77 -11.629 -1.327 2.492 627 HG LEU 77 HG LEU 77 -13.266 1.194 2.237 628 HD11 LEU 77 HD11 LEU 77 -11.145 0.340 4.023 629 HD12 LEU 77 HD12 LEU 77 -12.202 1.748 4.112 630 HD13 LEU 77 HD13 LEU 77 -10.733 1.809 3.139 631 HD21 LEU 77 HD21 LEU 77 -12.159 0.654 0.135 632 HD22 LEU 77 HD22 LEU 77 -10.625 0.451 0.981 633 HD23 LEU 77 HD23 LEU 77 -11.391 2.040 0.911 634 H SER 78 H SER 78 -12.484 -3.217 2.862 635 HA SER 78 HA SER 78 -14.992 -4.552 3.304 636 HB2 SER 78 HB2 SER 78 -14.144 -5.500 1.111 637 HB3 SER 78 HB3 SER 78 -12.789 -6.172 2.017 638 HG SER 78 HG SER 78 -14.402 -7.717 1.878 639 H ASP 79 H ASP 79 -14.373 -6.783 4.519 640 HA ASP 79 HA ASP 79 -13.366 -6.083 6.990 641 HB2 ASP 79 HB2 ASP 79 -14.712 -8.106 6.575 642 HB3 ASP 79 HB3 ASP 79 -13.347 -8.837 5.738 643 H TYR 80 H TYR 80 -11.657 -8.384 4.880 644 HA TYR 80 HA TYR 80 -9.196 -8.211 6.130 645 HB2 TYR 80 HB2 TYR 80 -8.247 -9.189 4.118 646 HB3 TYR 80 HB3 TYR 80 -9.806 -9.931 4.459 647 HD1 TYR 80 HD2 TYR 80 -11.757 -9.426 3.046 648 HD2 TYR 80 HD1 TYR 80 -7.901 -7.871 2.140 649 HE1 TYR 80 HE2 TYR 80 -12.515 -8.886 0.769 650 HE2 TYR 80 HE1 TYR 80 -8.650 -7.325 -0.139 651 HH TYR 80 HH TYR 80 -11.764 -7.129 -1.053 652 H GLN 81 H GLN 81 -10.549 -6.194 3.582 653 HA GLN 81 HA GLN 81 -8.235 -4.784 2.881 654 HB2 GLN 81 HB2 GLN 81 -11.125 -4.461 2.518 655 HB3 GLN 81 HB3 GLN 81 -10.247 -2.938 2.571 656 HG2 GLN 81 HG2 GLN 81 -8.678 -4.347 0.891 657 HG3 GLN 81 HG3 GLN 81 -10.254 -5.050 0.532 658 HE21 GLN 81 HE21 GLN 81 -9.881 -4.083 -1.581 659 HE22 GLN 81 HE22 GLN 81 -10.304 -2.426 -1.829 660 H SER 82 H SER 82 -10.902 -3.343 4.741 661 HA SER 82 HA SER 82 -9.513 -1.220 5.793 662 HB2 SER 82 HB2 SER 82 -12.011 -1.693 5.950 663 HB3 SER 82 HB3 SER 82 -11.637 -2.704 7.346 664 HG SER 82 HG SER 82 -11.985 -0.783 8.254 665 H LYS 83 H LYS 83 -9.574 -4.542 6.895 666 HA LYS 83 HA LYS 83 -8.356 -4.120 9.415 667 HB2 LYS 83 HB2 LYS 83 -8.698 -6.500 7.621 668 HB3 LYS 83 HB3 LYS 83 -7.688 -6.615 9.055 669 HG2 LYS 83 HG2 LYS 83 -9.532 -6.105 10.483 670 HG3 LYS 83 HG3 LYS 83 -10.561 -5.724 9.101 671 HD2 LYS 83 HD2 LYS 83 -11.155 -7.907 9.859 672 HD3 LYS 83 HD3 LYS 83 -10.271 -8.094 8.342 673 HE2 LYS 83 HE2 LYS 83 -8.779 -8.200 10.922 674 HE3 LYS 83 HE3 LYS 83 -9.720 -9.602 10.418 675 HZ1 LYS 83 HZ1 LYS 83 -7.238 -8.582 9.369 676 HZ2 LYS 83 HZ2 LYS 83 -8.370 -8.976 8.175 677 HZ3 LYS 83 HZ3 LYS 83 -7.882 -10.144 9.297 678 H LYS 84 H LYS 84 -7.004 -5.215 6.306 679 HA LYS 84 HA LYS 84 -4.337 -5.377 7.110 680 HB2 LYS 84 HB2 LYS 84 -3.844 -5.729 4.902 681 HB3 LYS 84 HB3 LYS 84 -5.575 -6.034 4.861 682 HG2 LYS 84 HG2 LYS 84 -5.454 -4.629 3.100 683 HG3 LYS 84 HG3 LYS 84 -5.609 -3.413 4.371 684 HD2 LYS 84 HD2 LYS 84 -2.983 -3.614 4.421 685 HD3 LYS 84 HD3 LYS 84 -3.219 -4.207 2.775 686 HE2 LYS 84 HE2 LYS 84 -4.820 -2.016 2.778 687 HE3 LYS 84 HE3 LYS 84 -3.546 -1.503 3.883 688 HZ1 LYS 84 HZ1 LYS 84 -2.657 -2.775 1.430 689 HZ2 LYS 84 HZ2 LYS 84 -2.029 -1.432 2.242 690 HZ3 LYS 84 HZ3 LYS 84 -3.383 -1.258 1.243 691 H LEU 85 H LEU 85 -6.313 -2.632 6.473 692 HA LEU 85 HA LEU 85 -4.368 -0.738 5.768 693 HB2 LEU 85 HB2 LEU 85 -7.111 -0.754 6.281 694 HB3 LEU 85 HB3 LEU 85 -6.433 0.383 7.444 695 HG LEU 85 HG LEU 85 -5.866 0.568 4.496 696 HD11 LEU 85 HD11 LEU 85 -8.241 1.468 6.047 697 HD12 LEU 85 HD12 LEU 85 -8.134 0.859 4.396 698 HD13 LEU 85 HD13 LEU 85 -7.617 2.504 4.764 699 HD21 LEU 85 HD21 LEU 85 -5.252 2.832 5.012 700 HD22 LEU 85 HD22 LEU 85 -4.376 1.747 6.093 701 HD23 LEU 85 HD23 LEU 85 -5.778 2.639 6.685 702 H LYS 86 H LYS 86 -5.267 -2.109 8.843 703 HA LYS 86 HA LYS 86 -3.991 -0.150 10.472 704 HB2 LYS 86 HB2 LYS 86 -4.492 -1.539 12.291 705 HB3 LYS 86 HB3 LYS 86 -5.791 -1.856 11.148 706 HG2 LYS 86 HG2 LYS 86 -4.120 -3.777 10.385 707 HG3 LYS 86 HG3 LYS 86 -3.590 -3.612 12.060 708 HD2 LYS 86 HD2 LYS 86 -6.494 -3.889 11.350 709 HD3 LYS 86 HD3 LYS 86 -5.454 -5.301 11.547 710 HE2 LYS 86 HE2 LYS 86 -5.575 -3.185 13.662 711 HE3 LYS 86 HE3 LYS 86 -6.815 -4.435 13.575 712 HZ1 LYS 86 HZ1 LYS 86 -4.010 -5.272 13.515 713 HZ2 LYS 86 HZ2 LYS 86 -5.356 -6.055 14.175 714 HZ3 LYS 86 HZ3 LYS 86 -4.648 -4.756 14.995 715 H GLU 87 H GLU 87 -2.755 -2.431 8.387 716 HA GLU 87 HA GLU 87 -0.514 -3.383 9.830 717 HB2 GLU 87 HB2 GLU 87 -1.000 -3.090 6.864 718 HB3 GLU 87 HB3 GLU 87 0.414 -3.881 7.546 719 HG2 GLU 87 HG2 GLU 87 -2.335 -4.772 8.305 720 HG3 GLU 87 HG3 GLU 87 -1.600 -5.308 6.795 721 H LEU 88 H LEU 88 -0.222 -1.312 6.970 722 HA LEU 88 HA LEU 88 2.235 -0.207 7.776 723 HB2 LEU 88 HB2 LEU 88 1.627 1.550 5.991 724 HB3 LEU 88 HB3 LEU 88 1.872 -0.125 5.499 725 HG LEU 88 HG LEU 88 -0.107 1.223 4.510 726 HD11 LEU 88 HD11 LEU 88 0.311 -1.523 5.105 727 HD12 LEU 88 HD12 LEU 88 -0.591 -0.806 3.771 728 HD13 LEU 88 HD13 LEU 88 -1.407 -1.168 5.292 729 HD21 LEU 88 HD21 LEU 88 -2.116 1.263 5.758 730 HD22 LEU 88 HD22 LEU 88 -0.872 1.951 6.803 731 HD23 LEU 88 HD23 LEU 88 -1.418 0.292 7.054 732 H THR 89 H THR 89 -0.860 0.401 8.900 733 HA THR 89 HA THR 89 -0.627 3.205 9.421 734 HB THR 89 HB THR 89 -2.514 1.076 10.406 735 HG1 THR 89 HG1 THR 89 -2.540 2.338 8.246 736 HG21 THR 89 HG21 THR 89 -3.771 3.166 11.335 737 HG22 THR 89 HG22 THR 89 -2.160 3.881 11.388 738 HG23 THR 89 HG23 THR 89 -2.503 2.410 12.299 739 H SER 90 H SER 90 -0.251 0.270 11.387 740 HA SER 90 HA SER 90 0.475 1.721 13.747 741 HB2 SER 90 HB2 SER 90 1.139 -0.588 14.576 742 HB3 SER 90 HB3 SER 90 -0.544 -0.410 14.079 743 HG SER 90 HG SER 90 -0.182 -1.962 12.728 744 H ILE 91 H ILE 91 2.213 0.082 11.164 745 HA ILE 91 HA ILE 91 4.779 0.186 12.344 746 HB ILE 91 HB ILE 91 4.065 0.123 9.410 747 HG12 ILE 91 HG12 ILE 91 4.850 -2.208 11.154 748 HG13 ILE 91 HG13 ILE 91 3.170 -1.736 10.925 749 HG21 ILE 91 HG21 ILE 91 6.629 -0.161 10.903 750 HG22 ILE 91 HG22 ILE 91 6.385 -1.086 9.422 751 HG23 ILE 91 HG23 ILE 91 6.295 0.675 9.387 752 HD11 ILE 91 HD11 ILE 91 4.790 -3.372 9.284 753 HD12 ILE 91 HD12 ILE 91 3.100 -2.919 9.065 754 HD13 ILE 91 HD13 ILE 91 4.377 -1.920 8.372 755 H SER 92 H SER 92 2.891 2.491 10.531 756 HA SER 92 HA SER 92 5.036 4.261 9.910 757 HB2 SER 92 HB2 SER 92 2.840 4.204 8.700 758 HB3 SER 92 HB3 SER 92 2.092 4.930 10.123 759 HG SER 92 HG SER 92 3.157 6.219 8.169 760 H ASN 93 H ASN 93 3.151 3.674 12.722 761 HA ASN 93 HA ASN 93 3.057 4.641 14.780 762 HB2 ASN 93 HB2 ASN 93 5.754 5.741 13.952 763 HB3 ASN 93 HB3 ASN 93 5.135 5.680 15.599 764 HD21 ASN 93 HD21 ASN 93 4.589 3.515 16.432 765 HD22 ASN 93 HD22 ASN 93 5.589 2.188 15.960 766 H ILE 94 H ILE 94 1.631 6.011 12.868 767 HA ILE 94 HA ILE 94 2.256 8.835 13.069 768 HB ILE 94 HB ILE 94 -0.125 7.456 11.823 769 HG12 ILE 94 HG12 ILE 94 2.187 8.761 10.396 770 HG13 ILE 94 HG13 ILE 94 2.214 7.059 10.842 771 HG21 ILE 94 HG21 ILE 94 -0.541 9.604 10.724 772 HG22 ILE 94 HG22 ILE 94 -0.638 9.743 12.479 773 HG23 ILE 94 HG23 ILE 94 0.793 10.321 11.628 774 HD11 ILE 94 HD11 ILE 94 0.238 6.659 9.491 775 HD12 ILE 94 HD12 ILE 94 0.170 8.370 9.067 776 HD13 ILE 94 HD13 ILE 94 1.528 7.382 8.529 777 H ARG 95 H ARG 95 -0.079 6.548 14.381 778 HA ARG 95 HA ARG 95 -1.789 8.420 15.609 779 HB2 ARG 95 HB2 ARG 95 -1.210 5.511 16.085 780 HB3 ARG 95 HB3 ARG 95 -2.292 6.398 17.150 781 HG2 ARG 95 HG2 ARG 95 -3.580 7.045 15.061 782 HG3 ARG 95 HG3 ARG 95 -2.622 5.820 14.225 783 HD2 ARG 95 HD2 ARG 95 -4.288 5.295 16.682 784 HD3 ARG 95 HD3 ARG 95 -4.841 5.016 15.031 785 HE ARG 95 HE ARG 95 -2.371 3.690 15.692 786 HH11 ARG 95 HH11 ARG 95 -5.846 3.478 15.696 787 HH12 ARG 95 HH12 ARG 95 -5.869 1.746 15.715 788 HH21 ARG 95 HH21 ARG 95 -2.389 1.409 15.717 789 HH22 ARG 95 HH22 ARG 95 -3.904 0.570 15.728 790 H TYR 96 H TYR 96 1.340 7.246 16.447 791 HA TYR 96 HA TYR 96 1.113 8.423 19.134 792 HB2 TYR 96 HB2 TYR 96 2.812 6.242 17.990 793 HB3 TYR 96 HB3 TYR 96 3.417 7.165 19.361 794 HD1 TYR 96 HD2 TYR 96 0.377 5.289 18.273 795 HD2 TYR 96 HD1 TYR 96 2.891 6.456 21.501 796 HE1 TYR 96 HE2 TYR 96 -0.931 3.869 19.797 797 HE2 TYR 96 HE1 TYR 96 1.590 5.039 23.034 798 HH TYR 96 HH TYR 96 -1.219 3.190 21.888 799 H GLY 97 H GLY 97 3.437 9.216 19.877 800 HA2 GLY 97 HA2 GLY 97 5.376 10.248 18.308 801 HA3 GLY 97 HA3 GLY 97 4.069 11.404 18.093 802 H TYR 98 H TYR 98 4.885 9.632 21.039 803 HA TYR 98 HA TYR 98 5.095 12.176 22.449 804 HB2 TYR 98 HB2 TYR 98 4.824 10.934 24.462 805 HB3 TYR 98 HB3 TYR 98 3.691 10.248 23.302 806 HD1 TYR 98 HD1 TYR 98 4.294 8.084 22.154 807 HD2 TYR 98 HD2 TYR 98 6.492 9.602 25.465 808 HE1 TYR 98 HE1 TYR 98 5.249 5.850 22.536 809 HE2 TYR 98 HE2 TYR 98 7.455 7.373 25.856 810 HH TYR 98 HH TYR 98 7.177 4.828 23.594 Start of MODEL 18 1 H1 MET 1 H MET 1 24.627 -10.655 4.640 2 HA MET 1 HA MET 1 24.886 -12.378 2.653 3 HB2 MET 1 HB2 MET 1 24.151 -14.223 4.160 4 HB3 MET 1 HB3 MET 1 25.266 -13.094 4.916 5 HG2 MET 1 HG2 MET 1 23.495 -12.051 6.132 6 HG3 MET 1 HG3 MET 1 22.281 -12.974 5.248 7 HE1 MET 1 HE1 MET 1 24.365 -12.458 8.035 8 HE2 MET 1 HE2 MET 1 24.122 -13.833 9.112 9 HE3 MET 1 HE3 MET 1 25.451 -13.846 7.952 10 H GLY 2 H GLY 2 23.639 -13.922 1.502 11 HA2 GLY 2 HA2 GLY 2 21.089 -12.920 0.662 12 HA3 GLY 2 HA3 GLY 2 21.879 -14.379 0.082 13 H LYS 3 H LYS 3 19.438 -13.098 2.068 14 HA LYS 3 HA LYS 3 19.042 -15.626 3.488 15 HB2 LYS 3 HB2 LYS 3 18.881 -13.199 4.503 16 HB3 LYS 3 HB3 LYS 3 17.254 -13.253 3.837 17 HG2 LYS 3 HG2 LYS 3 17.159 -13.927 6.122 18 HG3 LYS 3 HG3 LYS 3 16.858 -15.344 5.114 19 HD2 LYS 3 HD2 LYS 3 19.067 -16.166 5.475 20 HD3 LYS 3 HD3 LYS 3 19.564 -14.659 6.246 21 HE2 LYS 3 HE2 LYS 3 19.211 -16.197 8.001 22 HE3 LYS 3 HE3 LYS 3 17.804 -15.133 8.001 23 HZ1 LYS 3 HZ1 LYS 3 17.992 -17.934 7.087 24 HZ2 LYS 3 HZ2 LYS 3 16.743 -16.928 6.553 25 HZ3 LYS 3 HZ3 LYS 3 16.918 -17.256 8.203 26 H LEU 4 H LEU 4 16.936 -16.633 3.518 27 HA LEU 4 HA LEU 4 15.458 -16.208 1.005 28 HB2 LEU 4 HB2 LEU 4 16.741 -18.387 1.364 29 HB3 LEU 4 HB3 LEU 4 15.514 -18.771 2.570 30 HG LEU 4 HG LEU 4 13.835 -18.386 0.635 31 HD11 LEU 4 HD11 LEU 4 14.975 -19.175 -1.544 32 HD12 LEU 4 HD12 LEU 4 16.455 -18.567 -0.800 33 HD13 LEU 4 HD13 LEU 4 15.097 -17.477 -1.082 34 HD21 LEU 4 HD21 LEU 4 15.610 -20.805 0.427 35 HD22 LEU 4 HD22 LEU 4 13.877 -20.688 0.120 36 HD23 LEU 4 HD23 LEU 4 14.492 -20.554 1.769 37 H LYS 5 H LYS 5 13.509 -15.371 1.267 38 HA LYS 5 HA LYS 5 12.250 -15.199 3.825 39 HB2 LYS 5 HB2 LYS 5 11.023 -14.606 1.129 40 HB3 LYS 5 HB3 LYS 5 10.497 -13.996 2.693 41 HG2 LYS 5 HG2 LYS 5 12.522 -12.694 2.907 42 HG3 LYS 5 HG3 LYS 5 13.143 -13.367 1.398 43 HD2 LYS 5 HD2 LYS 5 10.831 -12.416 0.486 44 HD3 LYS 5 HD3 LYS 5 11.042 -11.319 1.853 45 HE2 LYS 5 HE2 LYS 5 13.097 -11.814 -0.297 46 HE3 LYS 5 HE3 LYS 5 11.985 -10.448 -0.267 47 HZ1 LYS 5 HZ1 LYS 5 13.589 -10.881 2.125 48 HZ2 LYS 5 HZ2 LYS 5 13.128 -9.435 1.378 49 HZ3 LYS 5 HZ3 LYS 5 14.416 -10.336 0.754 50 H TRP 6 H TRP 6 11.816 -17.264 4.566 51 HA TRP 6 HA TRP 6 9.447 -18.494 3.433 52 HB2 TRP 6 HB2 TRP 6 11.688 -19.493 2.438 53 HB3 TRP 6 HB3 TRP 6 11.708 -20.371 3.965 54 HD1 TRP 6 HD1 TRP 6 8.831 -19.651 1.443 55 HE1 TRP 6 HE1 TRP 6 7.661 -21.886 0.933 56 HE3 TRP 6 HE3 TRP 6 11.732 -22.753 4.288 57 HZ2 TRP 6 HZ2 TRP 6 7.932 -24.604 1.643 58 HZ3 TRP 6 HZ3 TRP 6 11.209 -25.158 4.318 59 HH2 TRP 6 HH2 TRP 6 9.347 -26.062 3.022 60 H PHE 7 H PHE 7 8.613 -20.255 4.846 61 HA PHE 7 HA PHE 7 7.830 -20.887 6.889 62 HB2 PHE 7 HB2 PHE 7 10.172 -21.883 6.851 63 HB3 PHE 7 HB3 PHE 7 10.667 -20.523 7.854 64 HD1 PHE 7 HD2 PHE 7 7.688 -22.771 7.870 65 HD2 PHE 7 HD1 PHE 7 11.017 -21.207 10.011 66 HE1 PHE 7 HE2 PHE 7 6.968 -23.997 9.879 67 HE2 PHE 7 HE1 PHE 7 10.304 -22.430 12.022 68 HZ PHE 7 HZ PHE 7 8.276 -23.827 11.960 69 H SER 8 H SER 8 7.669 -18.102 6.293 70 HA SER 8 HA SER 8 6.927 -17.079 8.797 71 HB2 SER 8 HB2 SER 8 8.645 -15.722 9.480 72 HB3 SER 8 HB3 SER 8 9.599 -16.976 8.687 73 HG SER 8 HG SER 8 10.031 -14.687 8.109 74 H GLY 9 H GLY 9 6.609 -14.568 8.621 75 HA2 GLY 9 HA2 GLY 9 5.281 -14.137 6.047 76 HA3 GLY 9 HA3 GLY 9 4.996 -13.229 7.525 77 H GLY 10 H GLY 10 6.543 -11.623 8.161 78 HA2 GLY 10 HA2 GLY 10 8.041 -10.574 5.844 79 HA3 GLY 10 HA3 GLY 10 7.330 -9.577 7.105 80 H LYS 11 H LYS 11 10.179 -10.496 5.956 81 HA LYS 11 HA LYS 11 11.535 -11.222 8.391 82 HB2 LYS 11 HB2 LYS 11 13.578 -11.087 7.031 83 HB3 LYS 11 HB3 LYS 11 12.343 -12.065 6.250 84 HG2 LYS 11 HG2 LYS 11 12.907 -10.850 4.448 85 HG3 LYS 11 HG3 LYS 11 11.801 -9.670 5.154 86 HD2 LYS 11 HD2 LYS 11 13.458 -8.231 5.620 87 HD3 LYS 11 HD3 LYS 11 14.521 -9.509 6.212 88 HE2 LYS 11 HE2 LYS 11 15.056 -10.117 3.894 89 HE3 LYS 11 HE3 LYS 11 14.016 -8.814 3.320 90 HZ1 LYS 11 HZ1 LYS 11 16.094 -7.857 3.281 91 HZ2 LYS 11 HZ2 LYS 11 16.619 -8.642 4.683 92 HZ3 LYS 11 HZ3 LYS 11 15.528 -7.354 4.794 93 H GLU 12 H GLU 12 10.359 -8.357 7.171 94 HA GLU 12 HA GLU 12 11.791 -6.815 9.134 95 HB2 GLU 12 HB2 GLU 12 12.332 -6.505 6.206 96 HB3 GLU 12 HB3 GLU 12 12.375 -5.089 7.246 97 HG2 GLU 12 HG2 GLU 12 14.092 -7.547 7.408 98 HG3 GLU 12 HG3 GLU 12 14.592 -5.893 7.055 99 H ARG 13 H ARG 13 11.034 -4.501 9.127 100 HA ARG 13 HA ARG 13 8.176 -4.473 8.946 101 HB2 ARG 13 HB2 ARG 13 10.162 -2.311 9.661 102 HB3 ARG 13 HB3 ARG 13 8.417 -2.120 9.762 103 HG2 ARG 13 HG2 ARG 13 9.919 -4.257 11.248 104 HG3 ARG 13 HG3 ARG 13 9.592 -2.657 11.916 105 HD2 ARG 13 HD2 ARG 13 7.323 -3.034 12.057 106 HD3 ARG 13 HD3 ARG 13 7.341 -4.256 10.788 107 HE ARG 13 HE ARG 13 7.738 -4.674 13.595 108 HH11 ARG 13 HH11 ARG 13 8.458 -5.889 10.413 109 HH12 ARG 13 HH12 ARG 13 8.710 -7.517 10.950 110 HH21 ARG 13 HH21 ARG 13 8.066 -6.814 14.314 111 HH22 ARG 13 HH22 ARG 13 8.487 -8.043 13.168 112 H SER 14 H SER 14 10.831 -3.143 7.081 113 HA SER 14 HA SER 14 9.331 -1.342 5.508 114 HB2 SER 14 HB2 SER 14 11.931 -2.775 4.913 115 HB3 SER 14 HB3 SER 14 11.270 -1.463 3.937 116 HG SER 14 HG SER 14 12.622 -1.361 6.298 117 H ASN 15 H ASN 15 10.354 -4.696 4.927 118 HA ASN 15 HA ASN 15 9.044 -4.881 2.398 119 HB2 ASN 15 HB2 ASN 15 10.254 -6.908 4.270 120 HB3 ASN 15 HB3 ASN 15 9.418 -7.395 2.798 121 HD21 ASN 15 HD21 ASN 15 11.926 -5.143 3.899 122 HD22 ASN 15 HD22 ASN 15 12.955 -5.352 2.527 123 H GLN 16 H GLN 16 7.948 -4.985 5.600 124 HA GLN 16 HA GLN 16 5.865 -6.844 5.481 125 HB2 GLN 16 HB2 GLN 16 6.735 -5.654 7.532 126 HB3 GLN 16 HB3 GLN 16 5.805 -4.251 7.024 127 HG2 GLN 16 HG2 GLN 16 3.806 -5.206 7.546 128 HG3 GLN 16 HG3 GLN 16 4.387 -6.844 7.255 129 HE21 GLN 16 HE21 GLN 16 2.913 -6.480 9.432 130 HE22 GLN 16 HE22 GLN 16 3.879 -6.516 10.863 131 H ALA 17 H ALA 17 5.554 -3.298 5.206 132 HA ALA 17 HA ALA 17 2.928 -3.194 4.378 133 HB1 ALA 17 HB1 ALA 17 3.286 -0.994 4.113 134 HB2 ALA 17 HB2 ALA 17 4.873 -1.348 4.797 135 HB3 ALA 17 HB3 ALA 17 4.670 -1.244 3.048 136 H GLU 18 H GLU 18 5.827 -3.362 2.315 137 HA GLU 18 HA GLU 18 4.610 -3.302 -0.163 138 HB2 GLU 18 HB2 GLU 18 7.000 -3.200 0.006 139 HB3 GLU 18 HB3 GLU 18 7.070 -4.792 0.750 140 HG2 GLU 18 HG2 GLU 18 5.781 -4.789 -1.865 141 HG3 GLU 18 HG3 GLU 18 7.458 -4.245 -1.900 142 H ASN 19 H ASN 19 5.173 -6.088 1.951 143 HA ASN 19 HA ASN 19 4.174 -8.041 0.171 144 HB2 ASN 19 HB2 ASN 19 4.411 -8.034 3.186 145 HB3 ASN 19 HB3 ASN 19 3.958 -9.449 2.240 146 HD21 ASN 19 HD21 ASN 19 6.205 -9.234 3.950 147 HD22 ASN 19 HD22 ASN 19 7.622 -9.414 2.977 148 H ILE 20 H ILE 20 2.651 -6.147 2.743 149 HA ILE 20 HA ILE 20 0.147 -7.399 2.731 150 HB ILE 20 HB ILE 20 0.795 -4.511 3.333 151 HG12 ILE 20 HG12 ILE 20 0.350 -6.755 5.298 152 HG13 ILE 20 HG13 ILE 20 1.948 -6.362 4.673 153 HG21 ILE 20 HG21 ILE 20 -1.572 -4.796 2.882 154 HG22 ILE 20 HG22 ILE 20 -1.644 -6.147 4.012 155 HG23 ILE 20 HG23 ILE 20 -1.308 -4.520 4.604 156 HD11 ILE 20 HD11 ILE 20 0.247 -4.265 5.958 157 HD12 ILE 20 HD12 ILE 20 1.223 -5.373 6.924 158 HD13 ILE 20 HD13 ILE 20 1.998 -4.310 5.750 159 H ILE 21 H ILE 21 1.209 -4.466 1.008 160 HA ILE 21 HA ILE 21 -1.117 -3.853 -0.330 161 HB ILE 21 HB ILE 21 1.695 -3.615 -1.405 162 HG12 ILE 21 HG12 ILE 21 -0.000 -1.551 0.011 163 HG13 ILE 21 HG13 ILE 21 1.245 -2.509 0.803 164 HG21 ILE 21 HG21 ILE 21 0.770 -2.879 -3.283 165 HG22 ILE 21 HG22 ILE 21 -0.846 -3.043 -2.598 166 HG23 ILE 21 HG23 ILE 21 0.060 -1.548 -2.369 167 HD11 ILE 21 HD11 ILE 21 2.958 -1.480 -0.442 168 HD12 ILE 21 HD12 ILE 21 1.808 -0.748 -1.560 169 HD13 ILE 21 HD13 ILE 21 1.898 -0.184 0.107 170 H THR 22 H THR 22 1.373 -6.197 -1.231 171 HA THR 22 HA THR 22 0.471 -6.872 -3.771 172 HB THR 22 HB THR 22 1.535 -8.993 -1.938 173 HG1 THR 22 HG1 THR 22 2.803 -6.621 -2.742 174 HG21 THR 22 HG21 THR 22 1.706 -8.320 -4.853 175 HG22 THR 22 HG22 THR 22 1.244 -9.838 -4.083 176 HG23 THR 22 HG23 THR 22 2.934 -9.336 -4.100 177 H ASP 23 H ASP 23 -0.774 -7.750 -0.638 178 HA ASP 23 HA ASP 23 -2.306 -9.989 -1.352 179 HB2 ASP 23 HB2 ASP 23 -1.839 -9.286 0.985 180 HB3 ASP 23 HB3 ASP 23 -2.937 -7.926 0.770 181 H LEU 24 H LEU 24 -3.662 -6.776 -0.623 182 HA LEU 24 HA LEU 24 -6.139 -7.139 -1.747 183 HB2 LEU 24 HB2 LEU 24 -4.480 -4.626 -1.647 184 HB3 LEU 24 HB3 LEU 24 -6.198 -4.667 -2.040 185 HG LEU 24 HG LEU 24 -4.890 -5.297 0.599 186 HD11 LEU 24 HD11 LEU 24 -5.182 -2.998 0.459 187 HD12 LEU 24 HD12 LEU 24 -6.647 -3.538 1.277 188 HD13 LEU 24 HD13 LEU 24 -6.692 -3.143 -0.441 189 HD21 LEU 24 HD21 LEU 24 -7.199 -5.750 1.401 190 HD22 LEU 24 HD22 LEU 24 -6.588 -6.962 0.273 191 HD23 LEU 24 HD23 LEU 24 -7.740 -5.744 -0.278 192 H LEU 25 H LEU 25 -3.199 -5.969 -3.351 193 HA LEU 25 HA LEU 25 -4.273 -5.383 -5.847 194 HB2 LEU 25 HB2 LEU 25 -1.604 -6.071 -4.796 195 HB3 LEU 25 HB3 LEU 25 -1.831 -6.300 -6.528 196 HG LEU 25 HG LEU 25 -2.351 -3.971 -6.823 197 HD11 LEU 25 HD11 LEU 25 -2.688 -4.060 -3.914 198 HD12 LEU 25 HD12 LEU 25 -3.446 -3.016 -5.117 199 HD13 LEU 25 HD13 LEU 25 -1.833 -2.638 -4.512 200 HD21 LEU 25 HD21 LEU 25 0.129 -4.749 -5.394 201 HD22 LEU 25 HD22 LEU 25 -0.180 -3.027 -5.620 202 HD23 LEU 25 HD23 LEU 25 -0.089 -4.098 -7.019 203 H ASP 26 H ASP 26 -2.892 -8.449 -4.684 204 HA ASP 26 HA ASP 26 -3.301 -9.906 -7.052 205 HB2 ASP 26 HB2 ASP 26 -1.891 -10.518 -4.981 206 HB3 ASP 26 HB3 ASP 26 -3.395 -11.144 -4.311 207 H ASP 27 H ASP 27 -5.283 -9.678 -4.108 208 HA ASP 27 HA ASP 27 -7.343 -11.381 -4.955 209 HB2 ASP 27 HB2 ASP 27 -6.843 -10.299 -2.617 210 HB3 ASP 27 HB3 ASP 27 -7.913 -9.025 -3.194 211 H LEU 28 H LEU 28 -6.673 -8.034 -5.650 212 HA LEU 28 HA LEU 28 -9.276 -7.448 -6.707 213 HB2 LEU 28 HB2 LEU 28 -6.632 -6.039 -6.716 214 HB3 LEU 28 HB3 LEU 28 -7.976 -5.447 -7.689 215 HG LEU 28 HG LEU 28 -8.029 -5.779 -4.690 216 HD11 LEU 28 HD11 LEU 28 -7.985 -3.302 -4.674 217 HD12 LEU 28 HD12 LEU 28 -7.642 -3.331 -6.403 218 HD13 LEU 28 HD13 LEU 28 -6.490 -4.027 -5.264 219 HD21 LEU 28 HD21 LEU 28 -9.967 -3.986 -5.840 220 HD22 LEU 28 HD22 LEU 28 -10.212 -5.377 -4.785 221 HD23 LEU 28 HD23 LEU 28 -10.119 -5.601 -6.532 222 H LYS 29 H LYS 29 -6.470 -8.999 -7.879 223 HA LYS 29 HA LYS 29 -6.376 -8.431 -10.558 224 HB2 LYS 29 HB2 LYS 29 -4.806 -9.951 -9.485 225 HB3 LYS 29 HB3 LYS 29 -6.084 -11.133 -9.234 226 HG2 LYS 29 HG2 LYS 29 -6.276 -11.523 -11.586 227 HG3 LYS 29 HG3 LYS 29 -5.167 -10.197 -11.943 228 HD2 LYS 29 HD2 LYS 29 -3.870 -11.958 -10.134 229 HD3 LYS 29 HD3 LYS 29 -4.565 -12.930 -11.434 230 HE2 LYS 29 HE2 LYS 29 -3.515 -11.016 -12.930 231 HE3 LYS 29 HE3 LYS 29 -2.451 -10.839 -11.535 232 HZ1 LYS 29 HZ1 LYS 29 -1.380 -12.364 -12.907 233 HZ2 LYS 29 HZ2 LYS 29 -2.804 -13.192 -13.287 234 HZ3 LYS 29 HZ3 LYS 29 -2.127 -13.339 -11.743 235 H THR 30 H THR 30 -8.307 -11.067 -9.122 236 HA THR 30 HA THR 30 -9.832 -11.356 -11.563 237 HB THR 30 HB THR 30 -11.039 -13.140 -10.354 238 HG1 THR 30 HG1 THR 30 -10.865 -13.331 -8.244 239 HG21 THR 30 HG21 THR 30 -8.452 -13.186 -11.266 240 HG22 THR 30 HG22 THR 30 -9.395 -14.604 -10.800 241 HG23 THR 30 HG23 THR 30 -8.294 -13.856 -9.643 242 H ASP 31 H ASP 31 -10.088 -9.616 -8.625 243 HA ASP 31 HA ASP 31 -12.929 -9.406 -8.519 244 HB2 ASP 31 HB2 ASP 31 -11.085 -8.918 -6.694 245 HB3 ASP 31 HB3 ASP 31 -11.153 -7.293 -7.369 246 H LEU 32 H LEU 32 -13.913 -7.094 -8.554 247 HA LEU 32 HA LEU 32 -12.878 -5.556 -10.826 248 HB2 LEU 32 HB2 LEU 32 -15.637 -6.703 -10.526 249 HB3 LEU 32 HB3 LEU 32 -15.317 -5.305 -11.552 250 HG LEU 32 HG LEU 32 -13.937 -7.957 -11.914 251 HD11 LEU 32 HD11 LEU 32 -16.432 -8.117 -12.129 252 HD12 LEU 32 HD12 LEU 32 -15.525 -8.527 -13.584 253 HD13 LEU 32 HD13 LEU 32 -16.322 -6.960 -13.455 254 HD21 LEU 32 HD21 LEU 32 -13.955 -5.346 -13.301 255 HD22 LEU 32 HD22 LEU 32 -13.961 -6.785 -14.322 256 HD23 LEU 32 HD23 LEU 32 -12.668 -6.544 -13.145 257 H ASP 33 H ASP 33 -12.998 -5.192 -7.874 258 HA ASP 33 HA ASP 33 -14.929 -3.096 -7.434 259 HB2 ASP 33 HB2 ASP 33 -14.315 -4.557 -5.585 260 HB3 ASP 33 HB3 ASP 33 -12.627 -4.076 -5.733 261 H ASN 34 H ASN 34 -11.424 -3.002 -6.845 262 HA ASN 34 HA ASN 34 -11.394 -0.195 -7.602 263 HB2 ASN 34 HB2 ASN 34 -9.402 -2.033 -6.292 264 HB3 ASN 34 HB3 ASN 34 -8.925 -0.443 -6.884 265 HD21 ASN 34 HD21 ASN 34 -9.651 -1.981 -4.189 266 HD22 ASN 34 HD22 ASN 34 -10.414 -0.725 -3.281 267 H GLU 35 H GLU 35 -11.343 0.130 -9.745 268 HA GLU 35 HA GLU 35 -9.603 -1.545 -11.404 269 HB2 GLU 35 HB2 GLU 35 -12.051 0.041 -11.880 270 HB3 GLU 35 HB3 GLU 35 -10.867 0.059 -13.179 271 HG2 GLU 35 HG2 GLU 35 -11.011 -2.255 -13.497 272 HG3 GLU 35 HG3 GLU 35 -11.823 -2.502 -11.951 273 H SER 36 H SER 36 -10.002 1.700 -10.221 274 HA SER 36 HA SER 36 -7.603 2.516 -11.728 275 HB2 SER 36 HB2 SER 36 -9.741 4.366 -10.654 276 HB3 SER 36 HB3 SER 36 -8.413 4.780 -11.739 277 HG SER 36 HG SER 36 -10.133 4.509 -13.054 278 H LEU 37 H LEU 37 -9.203 2.384 -8.636 279 HA LEU 37 HA LEU 37 -7.576 4.073 -7.134 280 HB2 LEU 37 HB2 LEU 37 -9.709 2.523 -6.594 281 HB3 LEU 37 HB3 LEU 37 -8.435 1.558 -5.849 282 HG LEU 37 HG LEU 37 -9.376 2.916 -4.147 283 HD11 LEU 37 HD11 LEU 37 -7.473 3.870 -3.281 284 HD12 LEU 37 HD12 LEU 37 -6.958 4.519 -4.837 285 HD13 LEU 37 HD13 LEU 37 -6.792 2.795 -4.503 286 HD21 LEU 37 HD21 LEU 37 -10.254 4.587 -5.954 287 HD22 LEU 37 HD22 LEU 37 -8.760 5.453 -5.592 288 HD23 LEU 37 HD23 LEU 37 -9.932 5.142 -4.310 289 H LYS 38 H LYS 38 -7.070 0.767 -8.196 290 HA LYS 38 HA LYS 38 -4.973 -0.023 -6.590 291 HB2 LYS 38 HB2 LYS 38 -5.694 -0.609 -9.439 292 HB3 LYS 38 HB3 LYS 38 -4.192 -1.239 -8.775 293 HG2 LYS 38 HG2 LYS 38 -5.274 -2.636 -7.294 294 HG3 LYS 38 HG3 LYS 38 -6.757 -1.680 -7.315 295 HD2 LYS 38 HD2 LYS 38 -7.229 -3.657 -8.527 296 HD3 LYS 38 HD3 LYS 38 -7.024 -2.382 -9.731 297 HE2 LYS 38 HE2 LYS 38 -5.866 -4.340 -10.490 298 HE3 LYS 38 HE3 LYS 38 -4.671 -3.128 -10.031 299 HZ1 LYS 38 HZ1 LYS 38 -3.769 -4.706 -8.780 300 HZ2 LYS 38 HZ2 LYS 38 -5.092 -5.743 -8.971 301 HZ3 LYS 38 HZ3 LYS 38 -5.105 -4.574 -7.749 302 H LYS 39 H LYS 39 -5.005 2.347 -9.119 303 HA LYS 39 HA LYS 39 -2.346 2.480 -9.861 304 HB2 LYS 39 HB2 LYS 39 -2.785 4.636 -10.664 305 HB3 LYS 39 HB3 LYS 39 -4.353 3.841 -10.713 306 HG2 LYS 39 HG2 LYS 39 -4.997 4.938 -8.645 307 HG3 LYS 39 HG3 LYS 39 -3.410 5.700 -8.539 308 HD2 LYS 39 HD2 LYS 39 -4.993 7.286 -9.429 309 HD3 LYS 39 HD3 LYS 39 -3.858 6.828 -10.700 310 HE2 LYS 39 HE2 LYS 39 -5.516 5.221 -11.562 311 HE3 LYS 39 HE3 LYS 39 -6.652 5.755 -10.324 312 HZ1 LYS 39 HZ1 LYS 39 -7.316 7.131 -11.955 313 HZ2 LYS 39 HZ2 LYS 39 -5.845 7.063 -12.786 314 HZ3 LYS 39 HZ3 LYS 39 -6.011 8.080 -11.443 315 H VAL 40 H VAL 40 -3.908 3.691 -6.956 316 HA VAL 40 HA VAL 40 -1.717 5.227 -6.012 317 HB VAL 40 HB VAL 40 -4.092 4.028 -4.594 318 HG11 VAL 40 HG11 VAL 40 -1.924 5.799 -3.473 319 HG12 VAL 40 HG12 VAL 40 -3.460 5.461 -2.671 320 HG13 VAL 40 HG13 VAL 40 -2.315 4.153 -2.973 321 HG21 VAL 40 HG21 VAL 40 -3.562 6.944 -4.885 322 HG22 VAL 40 HG22 VAL 40 -4.148 6.045 -6.285 323 HG23 VAL 40 HG23 VAL 40 -5.097 6.080 -4.799 324 H LEU 41 H LEU 41 -2.999 2.198 -4.629 325 HA LEU 41 HA LEU 41 -0.834 1.582 -3.033 326 HB2 LEU 41 HB2 LEU 41 -2.542 -0.426 -4.491 327 HB3 LEU 41 HB3 LEU 41 -1.642 -0.685 -2.998 328 HG LEU 41 HG LEU 41 -3.722 1.431 -2.980 329 HD11 LEU 41 HD11 LEU 41 -5.471 0.136 -3.409 330 HD12 LEU 41 HD12 LEU 41 -4.889 -1.108 -2.303 331 HD13 LEU 41 HD13 LEU 41 -4.351 -1.101 -3.983 332 HD21 LEU 41 HD21 LEU 41 -2.641 -0.617 -1.067 333 HD22 LEU 41 HD22 LEU 41 -4.096 0.320 -0.722 334 HD23 LEU 41 HD23 LEU 41 -2.553 1.140 -0.963 335 H GLU 42 H GLU 42 -1.422 0.580 -6.393 336 HA GLU 42 HA GLU 42 0.844 -1.006 -6.731 337 HB2 GLU 42 HB2 GLU 42 -0.763 0.642 -8.674 338 HB3 GLU 42 HB3 GLU 42 0.595 -0.348 -9.192 339 HG2 GLU 42 HG2 GLU 42 -0.910 -2.076 -7.663 340 HG3 GLU 42 HG3 GLU 42 -2.118 -1.114 -8.512 341 H ASN 43 H ASN 43 0.439 2.371 -7.818 342 HA ASN 43 HA ASN 43 3.029 2.870 -8.597 343 HB2 ASN 43 HB2 ASN 43 1.051 4.404 -8.866 344 HB3 ASN 43 HB3 ASN 43 1.266 4.878 -7.184 345 HD21 ASN 43 HD21 ASN 43 1.467 7.010 -8.234 346 HD22 ASN 43 HD22 ASN 43 3.034 7.506 -8.767 347 H TYR 44 H TYR 44 1.677 3.798 -5.426 348 HA TYR 44 HA TYR 44 4.021 4.584 -4.209 349 HB2 TYR 44 HB2 TYR 44 1.472 3.414 -3.151 350 HB3 TYR 44 HB3 TYR 44 2.815 3.716 -2.054 351 HD1 TYR 44 HD2 TYR 44 3.930 6.196 -2.667 352 HD2 TYR 44 HD1 TYR 44 -0.147 5.043 -3.061 353 HE1 TYR 44 HE2 TYR 44 3.251 8.552 -2.479 354 HE2 TYR 44 HE1 TYR 44 -0.837 7.396 -2.875 355 HH TYR 44 HH TYR 44 1.563 9.991 -2.515 356 H LEU 45 H LEU 45 2.624 1.328 -4.358 357 HA LEU 45 HA LEU 45 4.434 -0.006 -2.733 358 HB2 LEU 45 HB2 LEU 45 2.468 -1.115 -3.489 359 HB3 LEU 45 HB3 LEU 45 2.936 -0.920 -5.177 360 HG LEU 45 HG LEU 45 4.907 -2.448 -4.628 361 HD11 LEU 45 HD11 LEU 45 4.127 -4.056 -2.708 362 HD12 LEU 45 HD12 LEU 45 3.325 -2.604 -2.111 363 HD13 LEU 45 HD13 LEU 45 5.073 -2.611 -2.351 364 HD21 LEU 45 HD21 LEU 45 3.623 -3.813 -5.816 365 HD22 LEU 45 HD22 LEU 45 2.164 -3.001 -5.249 366 HD23 LEU 45 HD23 LEU 45 2.850 -4.335 -4.319 367 H GLU 46 H GLU 46 4.734 1.014 -6.075 368 HA GLU 46 HA GLU 46 7.149 -0.446 -6.568 369 HB2 GLU 46 HB2 GLU 46 5.319 1.160 -8.083 370 HB3 GLU 46 HB3 GLU 46 6.957 1.734 -8.362 371 HG2 GLU 46 HG2 GLU 46 6.451 0.111 -10.023 372 HG3 GLU 46 HG3 GLU 46 7.617 -0.598 -8.908 373 H GLU 47 H GLU 47 6.358 2.574 -5.123 374 HA GLU 47 HA GLU 47 8.787 3.949 -5.571 375 HB2 GLU 47 HB2 GLU 47 6.880 4.245 -3.245 376 HB3 GLU 47 HB3 GLU 47 8.083 5.418 -3.761 377 HG2 GLU 47 HG2 GLU 47 5.933 4.522 -5.634 378 HG3 GLU 47 HG3 GLU 47 5.616 5.763 -4.423 379 H LEU 48 H LEU 48 7.627 2.278 -2.638 380 HA LEU 48 HA LEU 48 9.885 2.454 -1.094 381 HB2 LEU 48 HB2 LEU 48 9.149 0.201 -0.153 382 HB3 LEU 48 HB3 LEU 48 8.006 1.540 -0.072 383 HG LEU 48 HG LEU 48 7.130 0.469 -2.324 384 HD11 LEU 48 HD11 LEU 48 8.864 -1.596 -1.136 385 HD12 LEU 48 HD12 LEU 48 8.357 -1.358 -2.808 386 HD13 LEU 48 HD13 LEU 48 7.266 -2.132 -1.658 387 HD21 LEU 48 HD21 LEU 48 5.371 0.256 -0.991 388 HD22 LEU 48 HD22 LEU 48 6.415 0.330 0.429 389 HD23 LEU 48 HD23 LEU 48 6.060 -1.225 -0.326 390 H LYS 49 H LYS 49 9.281 0.324 -3.805 391 HA LYS 49 HA LYS 49 11.253 -1.579 -3.485 392 HB2 LYS 49 HB2 LYS 49 10.447 -0.262 -6.086 393 HB3 LYS 49 HB3 LYS 49 11.226 -1.830 -5.915 394 HG2 LYS 49 HG2 LYS 49 8.485 -1.117 -4.891 395 HG3 LYS 49 HG3 LYS 49 8.833 -2.040 -6.356 396 HD2 LYS 49 HD2 LYS 49 9.933 -3.762 -5.004 397 HD3 LYS 49 HD3 LYS 49 9.581 -2.839 -3.541 398 HE2 LYS 49 HE2 LYS 49 7.311 -3.276 -3.657 399 HE3 LYS 49 HE3 LYS 49 7.361 -3.615 -5.387 400 HZ1 LYS 49 HZ1 LYS 49 7.046 -5.618 -4.026 401 HZ2 LYS 49 HZ2 LYS 49 8.547 -5.353 -3.290 402 HZ3 LYS 49 HZ3 LYS 49 8.465 -5.688 -4.946 403 H GLN 50 H GLN 50 11.543 1.637 -4.967 404 HA GLN 50 HA GLN 50 14.346 1.348 -5.480 405 HB2 GLN 50 HB2 GLN 50 12.829 3.949 -5.362 406 HB3 GLN 50 HB3 GLN 50 14.277 3.578 -6.290 407 HG2 GLN 50 HG2 GLN 50 11.569 2.357 -6.774 408 HG3 GLN 50 HG3 GLN 50 12.233 3.728 -7.662 409 HE21 GLN 50 HE21 GLN 50 11.442 0.976 -8.483 410 HE22 GLN 50 HE22 GLN 50 12.825 0.343 -9.303 411 H LYS 51 H LYS 51 15.925 2.987 -4.603 412 HA LYS 51 HA LYS 51 15.688 3.014 -1.692 413 HB2 LYS 51 HB2 LYS 51 18.117 3.593 -1.762 414 HB3 LYS 51 HB3 LYS 51 17.727 2.056 -2.522 415 HG2 LYS 51 HG2 LYS 51 17.903 3.038 -4.712 416 HG3 LYS 51 HG3 LYS 51 18.142 4.640 -4.011 417 HD2 LYS 51 HD2 LYS 51 20.318 4.071 -4.416 418 HD3 LYS 51 HD3 LYS 51 20.141 3.411 -2.788 419 HE2 LYS 51 HE2 LYS 51 19.455 1.674 -5.105 420 HE3 LYS 51 HE3 LYS 51 21.158 1.983 -4.768 421 HZ1 LYS 51 HZ1 LYS 51 19.164 0.594 -3.106 422 HZ2 LYS 51 HZ2 LYS 51 20.504 1.323 -2.377 423 HZ3 LYS 51 HZ3 LYS 51 20.729 0.106 -3.529 424 H SER 52 H SER 52 14.452 4.957 -3.746 425 HA SER 52 HA SER 52 15.677 7.478 -3.018 426 HB2 SER 52 HB2 SER 52 14.886 7.496 -5.225 427 HB3 SER 52 HB3 SER 52 13.382 6.684 -4.792 428 HG SER 52 HG SER 52 13.211 8.992 -5.210 429 H ALA 53 H ALA 53 12.240 6.572 -2.972 430 HA ALA 53 HA ALA 53 11.703 8.320 -0.774 431 HB1 ALA 53 HB1 ALA 53 9.901 8.146 -2.202 432 HB2 ALA 53 HB2 ALA 53 10.081 6.402 -2.389 433 HB3 ALA 53 HB3 ALA 53 9.427 7.064 -0.892 434 H SER 54 H SER 54 11.440 7.871 1.352 435 HA SER 54 HA SER 54 12.547 5.424 2.353 436 HB2 SER 54 HB2 SER 54 11.174 7.667 3.856 437 HB3 SER 54 HB3 SER 54 12.170 6.397 4.567 438 HG SER 54 HG SER 54 13.609 7.964 4.307 439 H VAL 55 H VAL 55 11.466 4.012 3.889 440 HA VAL 55 HA VAL 55 9.110 2.910 2.929 441 HB VAL 55 HB VAL 55 10.638 2.635 5.464 442 HG11 VAL 55 HG11 VAL 55 7.771 1.834 5.114 443 HG12 VAL 55 HG12 VAL 55 8.852 0.918 6.167 444 HG13 VAL 55 HG13 VAL 55 8.544 2.626 6.487 445 HG21 VAL 55 HG21 VAL 55 11.381 0.834 4.402 446 HG22 VAL 55 HG22 VAL 55 9.742 0.194 4.286 447 HG23 VAL 55 HG23 VAL 55 10.369 1.248 3.020 448 HA PRO 56 HA PRO 56 6.705 5.145 6.478 449 HB2 PRO 56 HB2 PRO 56 8.012 7.116 7.810 450 HB3 PRO 56 HB3 PRO 56 8.048 5.425 8.321 451 HG2 PRO 56 HG2 PRO 56 10.081 6.978 6.768 452 HG3 PRO 56 HG3 PRO 56 10.327 5.828 8.095 453 HD2 PRO 56 HD2 PRO 56 10.685 5.152 5.497 454 HD3 PRO 56 HD3 PRO 56 10.110 3.995 6.715 455 H LEU 57 H LEU 57 8.680 6.595 4.128 456 HA LEU 57 HA LEU 57 7.370 9.169 4.134 457 HB2 LEU 57 HB2 LEU 57 9.576 7.880 2.675 458 HB3 LEU 57 HB3 LEU 57 8.648 9.059 1.750 459 HG LEU 57 HG LEU 57 10.077 9.589 4.355 460 HD11 LEU 57 HD11 LEU 57 11.858 9.650 2.992 461 HD12 LEU 57 HD12 LEU 57 11.201 11.209 2.496 462 HD13 LEU 57 HD13 LEU 57 10.871 9.768 1.535 463 HD21 LEU 57 HD21 LEU 57 8.947 11.494 4.505 464 HD22 LEU 57 HD22 LEU 57 7.907 10.931 3.197 465 HD23 LEU 57 HD23 LEU 57 9.330 11.909 2.835 466 H ILE 58 H ILE 58 7.215 6.174 2.290 467 HA ILE 58 HA ILE 58 5.307 7.230 0.400 468 HB ILE 58 HB ILE 58 6.206 4.387 0.878 469 HG12 ILE 58 HG12 ILE 58 6.970 5.802 -1.590 470 HG13 ILE 58 HG13 ILE 58 7.690 6.450 -0.120 471 HG21 ILE 58 HG21 ILE 58 4.026 5.416 -0.632 472 HG22 ILE 58 HG22 ILE 58 5.238 4.788 -1.749 473 HG23 ILE 58 HG23 ILE 58 4.579 3.748 -0.487 474 HD11 ILE 58 HD11 ILE 58 8.953 4.600 0.239 475 HD12 ILE 58 HD12 ILE 58 7.794 3.519 -0.535 476 HD13 ILE 58 HD13 ILE 58 8.842 4.539 -1.520 477 H LEU 59 H LEU 59 5.214 4.789 2.995 478 HA LEU 59 HA LEU 59 2.487 4.217 2.853 479 HB2 LEU 59 HB2 LEU 59 4.339 4.168 5.230 480 HB3 LEU 59 HB3 LEU 59 2.727 3.455 5.202 481 HG LEU 59 HG LEU 59 5.114 2.586 3.576 482 HD11 LEU 59 HD11 LEU 59 3.592 0.966 5.585 483 HD12 LEU 59 HD12 LEU 59 4.924 2.014 6.069 484 HD13 LEU 59 HD13 LEU 59 5.209 0.696 4.933 485 HD21 LEU 59 HD21 LEU 59 3.169 2.308 2.215 486 HD22 LEU 59 HD22 LEU 59 2.257 1.626 3.563 487 HD23 LEU 59 HD23 LEU 59 3.606 0.728 2.865 488 H SER 60 H SER 60 4.171 6.915 4.244 489 HA SER 60 HA SER 60 2.146 7.828 5.988 490 HB2 SER 60 HB2 SER 60 4.618 8.958 4.798 491 HB3 SER 60 HB3 SER 60 3.418 10.122 5.359 492 HG SER 60 HG SER 60 3.445 8.874 7.375 493 H ARG 61 H ARG 61 3.116 9.226 2.850 494 HA ARG 61 HA ARG 61 0.773 10.777 2.576 495 HB2 ARG 61 HB2 ARG 61 3.108 10.100 0.907 496 HB3 ARG 61 HB3 ARG 61 1.651 10.512 0.014 497 HG2 ARG 61 HG2 ARG 61 2.636 12.565 0.217 498 HG3 ARG 61 HG3 ARG 61 1.588 12.559 1.637 499 HD2 ARG 61 HD2 ARG 61 3.547 11.703 2.954 500 HD3 ARG 61 HD3 ARG 61 4.544 11.996 1.531 501 HE ARG 61 HE ARG 61 3.220 14.364 2.049 502 HH11 ARG 61 HH11 ARG 61 5.476 12.285 3.696 503 HH12 ARG 61 HH12 ARG 61 6.208 13.574 4.593 504 HH21 ARG 61 HH21 ARG 61 4.176 16.068 3.224 505 HH22 ARG 61 HH22 ARG 61 5.468 15.725 4.324 506 H MET 62 H MET 62 1.609 7.521 1.599 507 HA MET 62 HA MET 62 -0.317 6.985 -0.302 508 HB2 MET 62 HB2 MET 62 1.380 5.361 0.218 509 HB3 MET 62 HB3 MET 62 0.789 5.198 1.867 510 HG2 MET 62 HG2 MET 62 -1.291 4.229 1.024 511 HG3 MET 62 HG3 MET 62 -0.689 4.384 -0.625 512 HE1 MET 62 HE1 MET 62 0.392 1.550 2.674 513 HE2 MET 62 HE2 MET 62 -0.841 2.807 2.572 514 HE3 MET 62 HE3 MET 62 -1.104 1.247 1.789 515 H ASN 63 H ASN 63 -0.627 6.420 3.209 516 HA ASN 63 HA ASN 63 -3.277 5.626 3.245 517 HB2 ASN 63 HB2 ASN 63 -1.477 6.931 5.244 518 HB3 ASN 63 HB3 ASN 63 -3.193 6.793 5.618 519 HD21 ASN 63 HD21 ASN 63 -0.380 4.916 4.608 520 HD22 ASN 63 HD22 ASN 63 -0.858 3.449 5.384 521 H LEU 64 H LEU 64 -1.925 8.887 3.281 522 HA LEU 64 HA LEU 64 -4.421 10.209 3.655 523 HB2 LEU 64 HB2 LEU 64 -1.935 11.359 2.406 524 HB3 LEU 64 HB3 LEU 64 -3.240 12.232 3.209 525 HG LEU 64 HG LEU 64 -1.579 10.267 4.739 526 HD11 LEU 64 HD11 LEU 64 -0.591 12.646 3.474 527 HD12 LEU 64 HD12 LEU 64 0.267 11.464 4.462 528 HD13 LEU 64 HD13 LEU 64 -0.552 12.826 5.228 529 HD21 LEU 64 HD21 LEU 64 -2.608 11.127 6.527 530 HD22 LEU 64 HD22 LEU 64 -3.762 11.798 5.374 531 HD23 LEU 64 HD23 LEU 64 -2.419 12.784 5.953 532 H ASP 65 H ASP 65 -2.814 8.841 0.941 533 HA ASP 65 HA ASP 65 -4.306 10.378 -1.014 534 HB2 ASP 65 HB2 ASP 65 -1.912 9.472 -1.300 535 HB3 ASP 65 HB3 ASP 65 -2.678 7.913 -1.595 536 H ILE 66 H ILE 66 -4.224 7.049 0.204 537 HA ILE 66 HA ILE 66 -6.273 6.061 -1.473 538 HB ILE 66 HB ILE 66 -5.448 5.046 1.250 539 HG12 ILE 66 HG12 ILE 66 -4.495 4.194 -1.493 540 HG13 ILE 66 HG13 ILE 66 -3.577 5.205 -0.383 541 HG21 ILE 66 HG21 ILE 66 -6.989 3.468 1.014 542 HG22 ILE 66 HG22 ILE 66 -7.562 4.276 -0.444 543 HG23 ILE 66 HG23 ILE 66 -6.330 3.020 -0.560 544 HD11 ILE 66 HD11 ILE 66 -4.342 2.323 -0.053 545 HD12 ILE 66 HD12 ILE 66 -2.727 3.021 -0.172 546 HD13 ILE 66 HD13 ILE 66 -3.709 3.309 1.264 547 H SER 67 H SER 67 -6.361 6.977 1.975 548 HA SER 67 HA SER 67 -9.038 6.636 2.469 549 HB2 SER 67 HB2 SER 67 -7.428 7.238 4.215 550 HB3 SER 67 HB3 SER 67 -7.264 8.853 3.523 551 HG SER 67 HG SER 67 -9.367 9.293 4.087 552 H LYS 68 H LYS 68 -7.473 9.594 1.258 553 HA LYS 68 HA LYS 68 -9.855 11.076 0.960 554 HB2 LYS 68 HB2 LYS 68 -8.496 12.741 0.267 555 HB3 LYS 68 HB3 LYS 68 -7.208 11.667 0.797 556 HG2 LYS 68 HG2 LYS 68 -7.116 10.770 -1.539 557 HG3 LYS 68 HG3 LYS 68 -8.235 12.054 -2.003 558 HD2 LYS 68 HD2 LYS 68 -5.829 12.868 -0.483 559 HD3 LYS 68 HD3 LYS 68 -5.572 12.314 -2.139 560 HE2 LYS 68 HE2 LYS 68 -7.275 13.941 -2.899 561 HE3 LYS 68 HE3 LYS 68 -7.412 14.531 -1.244 562 HZ1 LYS 68 HZ1 LYS 68 -5.104 15.194 -1.307 563 HZ2 LYS 68 HZ2 LYS 68 -5.937 15.908 -2.594 564 HZ3 LYS 68 HZ3 LYS 68 -4.930 14.578 -2.874 565 H ALA 69 H ALA 69 -8.177 8.821 -1.128 566 HA ALA 69 HA ALA 69 -9.581 9.441 -3.515 567 HB1 ALA 69 HB1 ALA 69 -7.742 8.264 -4.086 568 HB2 ALA 69 HB2 ALA 69 -7.754 7.314 -2.600 569 HB3 ALA 69 HB3 ALA 69 -8.838 6.891 -3.926 570 H ILE 70 H ILE 70 -10.514 7.858 -0.667 571 HA ILE 70 HA ILE 70 -12.307 5.925 -1.639 572 HB ILE 70 HB ILE 70 -12.482 7.503 0.930 573 HG12 ILE 70 HG12 ILE 70 -11.210 4.824 0.325 574 HG13 ILE 70 HG13 ILE 70 -10.353 6.314 0.709 575 HG21 ILE 70 HG21 ILE 70 -13.536 4.871 1.140 576 HG22 ILE 70 HG22 ILE 70 -14.364 6.413 1.356 577 HG23 ILE 70 HG23 ILE 70 -14.292 5.668 -0.241 578 HD11 ILE 70 HD11 ILE 70 -12.016 4.592 2.505 579 HD12 ILE 70 HD12 ILE 70 -10.336 5.096 2.691 580 HD13 ILE 70 HD13 ILE 70 -11.637 6.265 2.915 581 H ARG 71 H ARG 71 -13.297 8.960 -0.064 582 HA ARG 71 HA ARG 71 -15.889 8.973 -1.086 583 HB2 ARG 71 HB2 ARG 71 -15.897 11.395 -0.491 584 HB3 ARG 71 HB3 ARG 71 -15.319 10.351 0.801 585 HG2 ARG 71 HG2 ARG 71 -12.970 10.907 -0.138 586 HG3 ARG 71 HG3 ARG 71 -13.793 12.264 -0.910 587 HD2 ARG 71 HD2 ARG 71 -14.252 11.771 1.991 588 HD3 ARG 71 HD3 ARG 71 -12.723 12.491 1.488 589 HE ARG 71 HE ARG 71 -15.032 13.786 0.370 590 HH11 ARG 71 HH11 ARG 71 -12.886 13.621 3.107 591 HH12 ARG 71 HH12 ARG 71 -13.206 15.245 3.621 592 HH21 ARG 71 HH21 ARG 71 -15.460 15.925 1.037 593 HH22 ARG 71 HH22 ARG 71 -14.671 16.554 2.443 594 H ASN 72 H ASN 72 -12.901 10.263 -2.414 595 HA ASN 72 HA ASN 72 -13.896 11.883 -4.431 596 HB2 ASN 72 HB2 ASN 72 -11.382 10.360 -4.003 597 HB3 ASN 72 HB3 ASN 72 -11.708 10.903 -5.647 598 HD21 ASN 72 HD21 ASN 72 -11.982 12.200 -2.351 599 HD22 ASN 72 HD22 ASN 72 -11.257 13.726 -2.712 600 H ASP 73 H ASP 73 -12.860 8.486 -4.795 601 HA ASP 73 HA ASP 73 -14.338 8.293 -7.291 602 HB2 ASP 73 HB2 ASP 73 -12.694 6.185 -5.875 603 HB3 ASP 73 HB3 ASP 73 -13.290 6.113 -7.531 604 H GLY 74 H GLY 74 -15.378 8.304 -4.308 605 HA2 GLY 74 HA2 GLY 74 -17.099 7.326 -3.137 606 HA3 GLY 74 HA3 GLY 74 -17.797 7.058 -4.726 607 H VAL 75 H VAL 75 -14.773 5.606 -3.758 608 HA VAL 75 HA VAL 75 -15.868 2.974 -4.222 609 HB VAL 75 HB VAL 75 -13.551 3.720 -4.942 610 HG11 VAL 75 HG11 VAL 75 -12.307 2.914 -2.459 611 HG12 VAL 75 HG12 VAL 75 -12.013 4.340 -3.455 612 HG13 VAL 75 HG13 VAL 75 -13.299 4.355 -2.249 613 HG21 VAL 75 HG21 VAL 75 -12.936 1.554 -5.063 614 HG22 VAL 75 HG22 VAL 75 -13.124 1.291 -3.330 615 HG23 VAL 75 HG23 VAL 75 -14.538 1.268 -4.384 616 H THR 76 H THR 76 -15.530 1.195 -2.698 617 HA THR 76 HA THR 76 -15.513 2.034 0.119 618 HB THR 76 HB THR 76 -17.480 0.060 -1.059 619 HG1 THR 76 HG1 THR 76 -17.628 2.791 -0.434 620 HG21 THR 76 HG21 THR 76 -16.535 0.471 1.610 621 HG22 THR 76 HG22 THR 76 -17.743 -0.674 1.027 622 HG23 THR 76 HG23 THR 76 -18.230 0.948 1.516 623 H LEU 77 H LEU 77 -14.017 0.957 1.212 624 HA LEU 77 HA LEU 77 -12.684 -1.316 0.098 625 HB2 LEU 77 HB2 LEU 77 -12.432 -0.341 2.927 626 HB3 LEU 77 HB3 LEU 77 -11.238 -1.200 1.958 627 HG LEU 77 HG LEU 77 -12.128 1.656 1.561 628 HD11 LEU 77 HD11 LEU 77 -9.379 0.755 2.313 629 HD12 LEU 77 HD12 LEU 77 -10.615 0.986 3.549 630 HD13 LEU 77 HD13 LEU 77 -10.135 2.335 2.518 631 HD21 LEU 77 HD21 LEU 77 -9.856 1.345 0.116 632 HD22 LEU 77 HD22 LEU 77 -11.485 1.250 -0.553 633 HD23 LEU 77 HD23 LEU 77 -10.622 -0.226 -0.117 634 H SER 78 H SER 78 -12.826 -3.439 0.643 635 HA SER 78 HA SER 78 -15.242 -4.322 1.901 636 HB2 SER 78 HB2 SER 78 -14.173 -5.506 -0.022 637 HB3 SER 78 HB3 SER 78 -12.853 -5.975 1.049 638 HG SER 78 HG SER 78 -15.173 -7.191 0.705 639 H ASP 79 H ASP 79 -14.924 -6.328 3.466 640 HA ASP 79 HA ASP 79 -14.179 -5.348 5.942 641 HB2 ASP 79 HB2 ASP 79 -14.687 -8.081 4.857 642 HB3 ASP 79 HB3 ASP 79 -13.968 -7.942 6.459 643 H TYR 80 H TYR 80 -12.399 -7.871 4.151 644 HA TYR 80 HA TYR 80 -10.122 -7.862 5.740 645 HB2 TYR 80 HB2 TYR 80 -8.989 -8.946 3.860 646 HB3 TYR 80 HB3 TYR 80 -10.606 -9.605 4.077 647 HD1 TYR 80 HD1 TYR 80 -12.422 -8.951 2.497 648 HD2 TYR 80 HD2 TYR 80 -8.363 -7.855 1.841 649 HE1 TYR 80 HE1 TYR 80 -12.938 -8.476 0.139 650 HE2 TYR 80 HE2 TYR 80 -8.868 -7.375 -0.517 651 HH TYR 80 HH TYR 80 -11.961 -7.024 -1.702 652 H GLN 81 H GLN 81 -10.937 -5.873 2.943 653 HA GLN 81 HA GLN 81 -8.490 -4.668 2.464 654 HB2 GLN 81 HB2 GLN 81 -11.301 -3.617 2.195 655 HB3 GLN 81 HB3 GLN 81 -9.898 -2.690 1.681 656 HG2 GLN 81 HG2 GLN 81 -9.475 -5.110 0.477 657 HG3 GLN 81 HG3 GLN 81 -11.229 -4.944 0.403 658 HE21 GLN 81 HE21 GLN 81 -8.786 -4.646 -1.497 659 HE22 GLN 81 HE22 GLN 81 -9.172 -3.215 -2.385 660 H SER 82 H SER 82 -11.124 -3.036 4.224 661 HA SER 82 HA SER 82 -9.639 -1.008 5.334 662 HB2 SER 82 HB2 SER 82 -12.183 -1.398 5.411 663 HB3 SER 82 HB3 SER 82 -11.867 -2.338 6.869 664 HG SER 82 HG SER 82 -12.328 -0.169 7.373 665 H LYS 83 H LYS 83 -9.938 -4.328 6.402 666 HA LYS 83 HA LYS 83 -8.785 -4.008 8.965 667 HB2 LYS 83 HB2 LYS 83 -9.344 -6.294 7.144 668 HB3 LYS 83 HB3 LYS 83 -8.185 -6.557 8.440 669 HG2 LYS 83 HG2 LYS 83 -9.871 -5.840 10.074 670 HG3 LYS 83 HG3 LYS 83 -11.034 -5.630 8.761 671 HD2 LYS 83 HD2 LYS 83 -11.569 -7.743 9.503 672 HD3 LYS 83 HD3 LYS 83 -10.420 -8.113 8.216 673 HE2 LYS 83 HE2 LYS 83 -8.797 -8.783 9.671 674 HE3 LYS 83 HE3 LYS 83 -9.337 -7.693 10.946 675 HZ1 LYS 83 HZ1 LYS 83 -9.704 -10.160 11.300 676 HZ2 LYS 83 HZ2 LYS 83 -10.927 -10.051 10.138 677 HZ3 LYS 83 HZ3 LYS 83 -11.035 -9.150 11.565 678 H LYS 84 H LYS 84 -7.398 -4.982 5.840 679 HA LYS 84 HA LYS 84 -4.760 -5.331 6.765 680 HB2 LYS 84 HB2 LYS 84 -4.205 -5.715 4.576 681 HB3 LYS 84 HB3 LYS 84 -5.944 -5.952 4.479 682 HG2 LYS 84 HG2 LYS 84 -5.745 -4.555 2.729 683 HG3 LYS 84 HG3 LYS 84 -5.828 -3.321 3.988 684 HD2 LYS 84 HD2 LYS 84 -3.239 -3.630 4.070 685 HD3 LYS 84 HD3 LYS 84 -3.460 -4.320 2.460 686 HE2 LYS 84 HE2 LYS 84 -4.961 -2.040 2.319 687 HE3 LYS 84 HE3 LYS 84 -3.632 -1.539 3.363 688 HZ1 LYS 84 HZ1 LYS 84 -3.298 -1.232 0.902 689 HZ2 LYS 84 HZ2 LYS 84 -3.188 -2.915 0.779 690 HZ3 LYS 84 HZ3 LYS 84 -2.065 -2.061 1.712 691 H LEU 85 H LEU 85 -6.605 -2.515 6.132 692 HA LEU 85 HA LEU 85 -4.517 -0.716 5.491 693 HB2 LEU 85 HB2 LEU 85 -7.316 -0.610 5.868 694 HB3 LEU 85 HB3 LEU 85 -6.602 0.601 6.930 695 HG LEU 85 HG LEU 85 -5.301 1.166 4.640 696 HD11 LEU 85 HD11 LEU 85 -8.042 0.259 3.774 697 HD12 LEU 85 HD12 LEU 85 -6.533 -0.575 3.405 698 HD13 LEU 85 HD13 LEU 85 -6.822 1.046 2.770 699 HD21 LEU 85 HD21 LEU 85 -7.526 2.228 6.135 700 HD22 LEU 85 HD22 LEU 85 -7.689 2.592 4.417 701 HD23 LEU 85 HD23 LEU 85 -6.233 3.077 5.287 702 H LYS 86 H LYS 86 -5.882 -1.843 8.526 703 HA LYS 86 HA LYS 86 -4.511 0.041 10.173 704 HB2 LYS 86 HB2 LYS 86 -5.393 -1.131 12.005 705 HB3 LYS 86 HB3 LYS 86 -6.607 -1.323 10.747 706 HG2 LYS 86 HG2 LYS 86 -6.525 -3.497 11.173 707 HG3 LYS 86 HG3 LYS 86 -4.946 -3.499 10.384 708 HD2 LYS 86 HD2 LYS 86 -4.468 -4.482 12.422 709 HD3 LYS 86 HD3 LYS 86 -4.070 -2.790 12.730 710 HE2 LYS 86 HE2 LYS 86 -5.323 -3.450 14.595 711 HE3 LYS 86 HE3 LYS 86 -6.466 -2.565 13.584 712 HZ1 LYS 86 HZ1 LYS 86 -6.911 -5.004 14.608 713 HZ2 LYS 86 HZ2 LYS 86 -6.345 -5.405 13.065 714 HZ3 LYS 86 HZ3 LYS 86 -7.688 -4.391 13.236 715 H GLU 87 H GLU 87 -3.416 -2.538 8.380 716 HA GLU 87 HA GLU 87 -1.500 -3.674 10.134 717 HB2 GLU 87 HB2 GLU 87 -1.551 -3.571 7.113 718 HB3 GLU 87 HB3 GLU 87 -0.475 -4.581 8.069 719 HG2 GLU 87 HG2 GLU 87 -3.469 -4.758 8.234 720 HG3 GLU 87 HG3 GLU 87 -2.500 -5.719 7.118 721 H LEU 88 H LEU 88 -0.694 -1.860 7.190 722 HA LEU 88 HA LEU 88 1.831 -1.058 8.178 723 HB2 LEU 88 HB2 LEU 88 1.711 0.553 6.189 724 HB3 LEU 88 HB3 LEU 88 1.698 -1.180 5.867 725 HG LEU 88 HG LEU 88 0.094 0.394 4.563 726 HD11 LEU 88 HD11 LEU 88 -0.018 -2.323 5.379 727 HD12 LEU 88 HD12 LEU 88 -0.654 -1.585 3.909 728 HD13 LEU 88 HD13 LEU 88 -1.662 -1.684 5.353 729 HD21 LEU 88 HD21 LEU 88 -2.014 0.825 5.579 730 HD22 LEU 88 HD22 LEU 88 -0.772 1.448 6.666 731 HD23 LEU 88 HD23 LEU 88 -1.572 -0.083 7.026 732 H THR 89 H THR 89 -1.185 -0.004 9.016 733 HA THR 89 HA THR 89 -0.904 2.791 9.149 734 HB THR 89 HB THR 89 -2.965 1.146 9.640 735 HG1 THR 89 HG1 THR 89 -3.806 3.078 9.591 736 HG21 THR 89 HG21 THR 89 -1.794 0.513 11.839 737 HG22 THR 89 HG22 THR 89 -3.506 0.930 11.910 738 HG23 THR 89 HG23 THR 89 -2.289 2.107 12.404 739 H SER 90 H SER 90 0.379 0.241 11.105 740 HA SER 90 HA SER 90 0.947 1.872 13.397 741 HB2 SER 90 HB2 SER 90 1.891 -0.878 12.569 742 HB3 SER 90 HB3 SER 90 2.353 -0.108 14.087 743 HG SER 90 HG SER 90 0.586 -1.146 14.692 744 H ILE 91 H ILE 91 2.909 0.474 10.779 745 HA ILE 91 HA ILE 91 5.350 1.628 11.584 746 HB ILE 91 HB ILE 91 4.541 0.862 8.778 747 HG12 ILE 91 HG12 ILE 91 5.924 -0.834 10.865 748 HG13 ILE 91 HG13 ILE 91 4.211 -0.950 10.478 749 HG21 ILE 91 HG21 ILE 91 7.005 0.460 8.543 750 HG22 ILE 91 HG22 ILE 91 6.540 2.149 8.734 751 HG23 ILE 91 HG23 ILE 91 7.215 1.262 10.099 752 HD11 ILE 91 HD11 ILE 91 6.513 -1.510 8.625 753 HD12 ILE 91 HD12 ILE 91 5.421 -2.691 9.351 754 HD13 ILE 91 HD13 ILE 91 4.812 -1.540 8.163 755 H SER 92 H SER 92 2.791 2.747 9.429 756 HA SER 92 HA SER 92 4.197 5.044 8.503 757 HB2 SER 92 HB2 SER 92 2.028 3.783 7.589 758 HB3 SER 92 HB3 SER 92 1.218 5.029 8.539 759 HG SER 92 HG SER 92 3.206 5.535 6.578 760 H ASN 93 H ASN 93 3.339 7.290 8.870 761 HA ASN 93 HA ASN 93 3.340 7.821 11.696 762 HB2 ASN 93 HB2 ASN 93 4.481 9.198 9.831 763 HB3 ASN 93 HB3 ASN 93 2.883 9.885 9.554 764 HD21 ASN 93 HD21 ASN 93 5.655 10.623 10.879 765 HD22 ASN 93 HD22 ASN 93 5.152 11.546 12.250 766 H ILE 94 H ILE 94 0.979 7.641 9.163 767 HA ILE 94 HA ILE 94 -1.063 9.076 10.599 768 HB ILE 94 HB ILE 94 -1.439 7.244 8.231 769 HG12 ILE 94 HG12 ILE 94 0.246 8.911 7.669 770 HG13 ILE 94 HG13 ILE 94 -1.265 9.290 6.847 771 HG21 ILE 94 HG21 ILE 94 -3.299 9.097 7.911 772 HG22 ILE 94 HG22 ILE 94 -3.564 7.683 8.930 773 HG23 ILE 94 HG23 ILE 94 -3.125 9.227 9.662 774 HD11 ILE 94 HD11 ILE 94 -0.891 11.355 7.609 775 HD12 ILE 94 HD12 ILE 94 -1.523 10.729 9.132 776 HD13 ILE 94 HD13 ILE 94 0.219 10.800 8.862 777 H ARG 95 H ARG 95 -0.598 7.621 12.544 778 HA ARG 95 HA ARG 95 -1.526 4.942 12.539 779 HB2 ARG 95 HB2 ARG 95 -1.478 5.166 15.014 780 HB3 ARG 95 HB3 ARG 95 0.017 5.679 14.242 781 HG2 ARG 95 HG2 ARG 95 -1.221 8.038 14.347 782 HG3 ARG 95 HG3 ARG 95 -1.992 7.255 15.727 783 HD2 ARG 95 HD2 ARG 95 0.000 7.034 16.882 784 HD3 ARG 95 HD3 ARG 95 0.977 7.136 15.418 785 HE ARG 95 HE ARG 95 -0.441 9.559 15.972 786 HH11 ARG 95 HH11 ARG 95 2.404 7.707 16.743 787 HH12 ARG 95 HH12 ARG 95 3.333 9.088 17.223 788 HH21 ARG 95 HH21 ARG 95 0.771 11.386 16.602 789 HH22 ARG 95 HH22 ARG 95 2.403 11.180 17.144 790 H TYR 96 H TYR 96 -3.028 8.030 13.380 791 HA TYR 96 HA TYR 96 -5.483 6.850 14.257 792 HB2 TYR 96 HB2 TYR 96 -6.312 9.123 14.394 793 HB3 TYR 96 HB3 TYR 96 -4.682 9.060 15.052 794 HD1 TYR 96 HD2 TYR 96 -2.809 10.073 13.834 795 HD2 TYR 96 HD1 TYR 96 -6.798 10.355 12.381 796 HE1 TYR 96 HE2 TYR 96 -2.121 11.880 12.314 797 HE2 TYR 96 HE1 TYR 96 -6.121 12.163 10.856 798 HH TYR 96 HH TYR 96 -3.349 13.875 11.152 799 H GLY 97 H GLY 97 -7.596 7.627 13.201 800 HA2 GLY 97 HA2 GLY 97 -8.226 8.418 10.787 801 HA3 GLY 97 HA3 GLY 97 -7.432 6.908 10.364 802 H TYR 98 H TYR 98 -9.493 7.541 13.165 803 HA TYR 98 HA TYR 98 -11.212 5.335 12.311 804 HB2 TYR 98 HB2 TYR 98 -10.142 5.656 14.690 805 HB3 TYR 98 HB3 TYR 98 -11.511 6.733 14.943 806 HD1 TYR 98 HD2 TYR 98 -10.744 3.273 13.764 807 HD2 TYR 98 HD1 TYR 98 -13.498 5.847 15.737 808 HE1 TYR 98 HE2 TYR 98 -12.160 1.336 14.302 809 HE2 TYR 98 HE1 TYR 98 -14.922 3.917 16.282 810 HH TYR 98 HH TYR 98 -13.995 0.623 15.320 Start of MODEL 19 1 H1 MET 1 H MET 1 21.653 -20.930 -10.249 2 HA MET 1 HA MET 1 22.747 -18.594 -8.845 3 HB2 MET 1 HB2 MET 1 24.079 -20.648 -10.618 4 HB3 MET 1 HB3 MET 1 24.899 -19.252 -9.932 5 HG2 MET 1 HG2 MET 1 23.558 -21.409 -8.318 6 HG3 MET 1 HG3 MET 1 25.281 -21.350 -8.685 7 HE1 MET 1 HE1 MET 1 25.673 -20.413 -5.051 8 HE2 MET 1 HE2 MET 1 25.319 -21.772 -6.118 9 HE3 MET 1 HE3 MET 1 26.708 -20.733 -6.443 10 H GLY 2 H GLY 2 24.338 -17.356 -10.480 11 HA2 GLY 2 HA2 GLY 2 24.572 -16.419 -12.670 12 HA3 GLY 2 HA3 GLY 2 22.914 -16.891 -13.011 13 H LYS 3 H LYS 3 21.667 -15.174 -13.264 14 HA LYS 3 HA LYS 3 22.294 -12.707 -11.828 15 HB2 LYS 3 HB2 LYS 3 20.663 -13.383 -14.244 16 HB3 LYS 3 HB3 LYS 3 20.313 -11.902 -13.363 17 HG2 LYS 3 HG2 LYS 3 21.787 -11.167 -14.963 18 HG3 LYS 3 HG3 LYS 3 22.863 -11.469 -13.596 19 HD2 LYS 3 HD2 LYS 3 23.265 -13.762 -14.573 20 HD3 LYS 3 HD3 LYS 3 22.410 -13.208 -16.015 21 HE2 LYS 3 HE2 LYS 3 24.050 -11.619 -16.517 22 HE3 LYS 3 HE3 LYS 3 24.727 -11.672 -14.891 23 HZ1 LYS 3 HZ1 LYS 3 24.988 -13.689 -17.041 24 HZ2 LYS 3 HZ2 LYS 3 25.344 -14.047 -15.427 25 HZ3 LYS 3 HZ3 LYS 3 26.218 -12.848 -16.239 26 H LEU 4 H LEU 4 21.578 -13.528 -9.762 27 HA LEU 4 HA LEU 4 18.681 -13.893 -9.499 28 HB2 LEU 4 HB2 LEU 4 20.889 -14.344 -7.497 29 HB3 LEU 4 HB3 LEU 4 19.181 -14.696 -7.240 30 HG LEU 4 HG LEU 4 21.003 -16.068 -9.216 31 HD11 LEU 4 HD11 LEU 4 21.577 -16.832 -7.069 32 HD12 LEU 4 HD12 LEU 4 20.469 -18.042 -7.714 33 HD13 LEU 4 HD13 LEU 4 19.895 -16.860 -6.538 34 HD21 LEU 4 HD21 LEU 4 18.957 -17.647 -9.279 35 HD22 LEU 4 HD22 LEU 4 18.917 -16.161 -10.226 36 HD23 LEU 4 HD23 LEU 4 18.062 -16.248 -8.685 37 H LYS 5 H LYS 5 17.494 -12.194 -8.974 38 HA LYS 5 HA LYS 5 18.727 -10.053 -7.367 39 HB2 LYS 5 HB2 LYS 5 16.917 -8.598 -8.441 40 HB3 LYS 5 HB3 LYS 5 18.261 -9.093 -9.462 41 HG2 LYS 5 HG2 LYS 5 15.840 -10.805 -9.444 42 HG3 LYS 5 HG3 LYS 5 15.750 -9.247 -10.269 43 HD2 LYS 5 HD2 LYS 5 18.102 -10.982 -10.810 44 HD3 LYS 5 HD3 LYS 5 16.551 -11.444 -11.515 45 HE2 LYS 5 HE2 LYS 5 17.342 -10.098 -13.179 46 HE3 LYS 5 HE3 LYS 5 16.503 -8.895 -12.199 47 HZ1 LYS 5 HZ1 LYS 5 18.466 -8.044 -11.401 48 HZ2 LYS 5 HZ2 LYS 5 18.916 -8.460 -12.978 49 HZ3 LYS 5 HZ3 LYS 5 19.343 -9.463 -11.685 50 H TRP 6 H TRP 6 16.699 -12.573 -7.117 51 HA TRP 6 HA TRP 6 14.583 -11.290 -5.609 52 HB2 TRP 6 HB2 TRP 6 15.194 -14.153 -6.324 53 HB3 TRP 6 HB3 TRP 6 13.911 -13.732 -5.194 54 HD1 TRP 6 HD1 TRP 6 14.499 -14.271 -8.786 55 HE1 TRP 6 HE1 TRP 6 12.496 -13.444 -10.173 56 HE3 TRP 6 HE3 TRP 6 12.073 -11.576 -5.182 57 HZ2 TRP 6 HZ2 TRP 6 10.192 -11.857 -9.791 58 HZ3 TRP 6 HZ3 TRP 6 9.976 -10.434 -5.775 59 HH2 TRP 6 HH2 TRP 6 9.057 -10.572 -8.032 60 H PHE 7 H PHE 7 14.091 -11.878 -3.394 61 HA PHE 7 HA PHE 7 16.253 -13.002 -1.810 62 HB2 PHE 7 HB2 PHE 7 16.908 -10.683 -1.850 63 HB3 PHE 7 HB3 PHE 7 15.271 -10.165 -1.462 64 HD1 PHE 7 HD1 PHE 7 18.234 -11.928 -0.130 65 HD2 PHE 7 HD2 PHE 7 14.544 -10.003 0.765 66 HE1 PHE 7 HE1 PHE 7 18.795 -11.973 2.266 67 HE2 PHE 7 HE2 PHE 7 15.100 -10.045 3.162 68 HZ PHE 7 HZ PHE 7 17.228 -11.031 3.915 69 H SER 8 H SER 8 15.607 -13.724 0.235 70 HA SER 8 HA SER 8 12.957 -14.617 0.445 71 HB2 SER 8 HB2 SER 8 13.699 -14.997 2.932 72 HB3 SER 8 HB3 SER 8 14.460 -15.925 1.640 73 HG SER 8 HG SER 8 15.713 -14.543 3.385 74 H GLY 9 H GLY 9 11.272 -13.283 0.639 75 HA2 GLY 9 HA2 GLY 9 11.452 -10.759 2.001 76 HA3 GLY 9 HA3 GLY 9 10.006 -11.461 1.289 77 H GLY 10 H GLY 10 11.234 -10.412 4.104 78 HA2 GLY 10 HA2 GLY 10 9.274 -11.050 5.802 79 HA3 GLY 10 HA3 GLY 10 10.214 -12.534 5.812 80 H LYS 11 H LYS 11 10.029 -11.508 8.180 81 HA LYS 11 HA LYS 11 11.072 -10.491 9.946 82 HB2 LYS 11 HB2 LYS 11 13.738 -10.949 8.744 83 HB3 LYS 11 HB3 LYS 11 13.121 -11.407 10.327 84 HG2 LYS 11 HG2 LYS 11 11.753 -13.169 9.119 85 HG3 LYS 11 HG3 LYS 11 12.748 -12.817 7.704 86 HD2 LYS 11 HD2 LYS 11 13.779 -13.697 10.400 87 HD3 LYS 11 HD3 LYS 11 13.608 -14.732 8.980 88 HE2 LYS 11 HE2 LYS 11 15.156 -13.182 7.772 89 HE3 LYS 11 HE3 LYS 11 15.422 -12.345 9.301 90 HZ1 LYS 11 HZ1 LYS 11 16.674 -14.662 8.347 91 HZ2 LYS 11 HZ2 LYS 11 15.801 -15.078 9.735 92 HZ3 LYS 11 HZ3 LYS 11 16.954 -13.842 9.800 93 H GLU 12 H GLU 12 10.278 -8.602 8.095 94 HA GLU 12 HA GLU 12 12.124 -6.473 8.688 95 HB2 GLU 12 HB2 GLU 12 11.712 -7.449 5.877 96 HB3 GLU 12 HB3 GLU 12 12.108 -5.767 6.198 97 HG2 GLU 12 HG2 GLU 12 13.759 -8.197 6.818 98 HG3 GLU 12 HG3 GLU 12 14.131 -6.887 5.698 99 H ARG 13 H ARG 13 11.022 -4.660 9.083 100 HA ARG 13 HA ARG 13 8.186 -4.622 8.853 101 HB2 ARG 13 HB2 ARG 13 10.123 -2.406 9.547 102 HB3 ARG 13 HB3 ARG 13 8.376 -2.316 9.737 103 HG2 ARG 13 HG2 ARG 13 10.026 -4.425 11.092 104 HG3 ARG 13 HG3 ARG 13 9.741 -2.837 11.808 105 HD2 ARG 13 HD2 ARG 13 7.348 -3.209 11.756 106 HD3 ARG 13 HD3 ARG 13 7.582 -4.753 10.937 107 HE ARG 13 HE ARG 13 9.008 -4.771 13.357 108 HH11 ARG 13 HH11 ARG 13 5.735 -4.791 12.171 109 HH12 ARG 13 HH12 ARG 13 5.106 -5.646 13.541 110 HH21 ARG 13 HH21 ARG 13 8.192 -5.897 15.165 111 HH22 ARG 13 HH22 ARG 13 6.505 -6.274 15.243 112 H SER 14 H SER 14 10.820 -3.094 7.073 113 HA SER 14 HA SER 14 9.226 -1.392 5.485 114 HB2 SER 14 HB2 SER 14 11.293 -1.569 3.906 115 HB3 SER 14 HB3 SER 14 11.492 -0.826 5.493 116 HG SER 14 HG SER 14 12.533 -3.169 4.495 117 H ASN 15 H ASN 15 10.464 -4.670 4.955 118 HA ASN 15 HA ASN 15 9.321 -4.904 2.342 119 HB2 ASN 15 HB2 ASN 15 11.179 -6.287 2.666 120 HB3 ASN 15 HB3 ASN 15 10.630 -6.815 4.254 121 HD21 ASN 15 HD21 ASN 15 9.360 -8.578 4.424 122 HD22 ASN 15 HD22 ASN 15 8.850 -9.541 3.084 123 H GLN 16 H GLN 16 8.194 -5.393 5.565 124 HA GLN 16 HA GLN 16 6.165 -7.269 5.151 125 HB2 GLN 16 HB2 GLN 16 6.898 -6.538 7.378 126 HB3 GLN 16 HB3 GLN 16 6.210 -4.946 7.086 127 HG2 GLN 16 HG2 GLN 16 4.403 -5.727 8.117 128 HG3 GLN 16 HG3 GLN 16 4.081 -6.590 6.613 129 HE21 GLN 16 HE21 GLN 16 4.040 -6.995 9.777 130 HE22 GLN 16 HE22 GLN 16 4.482 -8.659 9.909 131 H ALA 17 H ALA 17 5.962 -3.711 5.119 132 HA ALA 17 HA ALA 17 3.286 -3.437 4.490 133 HB1 ALA 17 HB1 ALA 17 4.315 -1.446 5.013 134 HB2 ALA 17 HB2 ALA 17 5.693 -1.754 3.956 135 HB3 ALA 17 HB3 ALA 17 4.136 -1.297 3.265 136 H GLU 18 H GLU 18 6.033 -3.697 2.238 137 HA GLU 18 HA GLU 18 4.657 -3.473 -0.151 138 HB2 GLU 18 HB2 GLU 18 7.107 -3.531 0.007 139 HB3 GLU 18 HB3 GLU 18 7.042 -5.233 0.444 140 HG2 GLU 18 HG2 GLU 18 5.696 -5.338 -1.859 141 HG3 GLU 18 HG3 GLU 18 6.709 -3.932 -2.185 142 H ASN 19 H ASN 19 5.167 -6.335 1.863 143 HA ASN 19 HA ASN 19 3.995 -8.194 0.087 144 HB2 ASN 19 HB2 ASN 19 5.397 -9.024 1.837 145 HB3 ASN 19 HB3 ASN 19 4.419 -8.244 3.077 146 HD21 ASN 19 HD21 ASN 19 3.767 -9.959 4.227 147 HD22 ASN 19 HD22 ASN 19 2.830 -11.267 3.597 148 H ILE 20 H ILE 20 2.683 -6.212 2.696 149 HA ILE 20 HA ILE 20 0.122 -7.345 2.815 150 HB ILE 20 HB ILE 20 0.931 -4.485 3.357 151 HG12 ILE 20 HG12 ILE 20 0.479 -6.665 5.386 152 HG13 ILE 20 HG13 ILE 20 2.058 -6.404 4.651 153 HG21 ILE 20 HG21 ILE 20 -1.527 -6.005 4.217 154 HG22 ILE 20 HG22 ILE 20 -1.099 -4.368 4.713 155 HG23 ILE 20 HG23 ILE 20 -1.475 -4.707 3.024 156 HD11 ILE 20 HD11 ILE 20 1.187 -5.230 6.933 157 HD12 ILE 20 HD12 ILE 20 2.466 -4.597 5.897 158 HD13 ILE 20 HD13 ILE 20 0.820 -3.988 5.737 159 H ILE 21 H ILE 21 1.218 -4.438 1.063 160 HA ILE 21 HA ILE 21 -1.137 -3.761 -0.194 161 HB ILE 21 HB ILE 21 1.650 -3.573 -1.345 162 HG12 ILE 21 HG12 ILE 21 0.009 -1.529 0.165 163 HG13 ILE 21 HG13 ILE 21 1.339 -2.455 0.849 164 HG21 ILE 21 HG21 ILE 21 -0.889 -2.991 -2.505 165 HG22 ILE 21 HG22 ILE 21 -0.015 -1.481 -2.250 166 HG23 ILE 21 HG23 ILE 21 0.720 -2.776 -3.195 167 HD11 ILE 21 HD11 ILE 21 2.918 -1.372 -0.544 168 HD12 ILE 21 HD12 ILE 21 1.646 -0.627 -1.513 169 HD13 ILE 21 HD13 ILE 21 1.894 -0.118 0.157 170 H THR 22 H THR 22 1.272 -6.148 -1.198 171 HA THR 22 HA THR 22 0.257 -6.779 -3.711 172 HB THR 22 HB THR 22 1.416 -8.875 -1.888 173 HG1 THR 22 HG1 THR 22 3.484 -8.046 -2.605 174 HG21 THR 22 HG21 THR 22 1.177 -8.429 -4.820 175 HG22 THR 22 HG22 THR 22 1.008 -9.916 -3.886 176 HG23 THR 22 HG23 THR 22 2.610 -9.263 -4.222 177 H ASP 23 H ASP 23 -0.859 -7.682 -0.536 178 HA ASP 23 HA ASP 23 -2.453 -9.890 -1.210 179 HB2 ASP 23 HB2 ASP 23 -1.866 -9.214 1.113 180 HB3 ASP 23 HB3 ASP 23 -2.974 -7.852 0.965 181 H LEU 24 H LEU 24 -3.734 -6.673 -0.373 182 HA LEU 24 HA LEU 24 -6.262 -6.986 -1.390 183 HB2 LEU 24 HB2 LEU 24 -4.562 -4.499 -1.325 184 HB3 LEU 24 HB3 LEU 24 -6.294 -4.508 -1.653 185 HG LEU 24 HG LEU 24 -4.903 -5.205 0.925 186 HD11 LEU 24 HD11 LEU 24 -5.154 -2.872 0.723 187 HD12 LEU 24 HD12 LEU 24 -6.487 -3.408 1.746 188 HD13 LEU 24 HD13 LEU 24 -6.778 -3.025 0.049 189 HD21 LEU 24 HD21 LEU 24 -7.238 -5.565 1.782 190 HD22 LEU 24 HD22 LEU 24 -6.629 -6.822 0.706 191 HD23 LEU 24 HD23 LEU 24 -7.770 -5.619 0.102 192 H LEU 25 H LEU 25 -3.342 -5.994 -3.113 193 HA LEU 25 HA LEU 25 -4.451 -5.243 -5.540 194 HB2 LEU 25 HB2 LEU 25 -1.835 -6.209 -4.613 195 HB3 LEU 25 HB3 LEU 25 -2.153 -6.452 -6.330 196 HG LEU 25 HG LEU 25 -2.437 -4.088 -6.666 197 HD11 LEU 25 HD11 LEU 25 -2.755 -4.084 -3.775 198 HD12 LEU 25 HD12 LEU 25 -3.307 -2.920 -4.979 199 HD13 LEU 25 HD13 LEU 25 -1.663 -2.824 -4.349 200 HD21 LEU 25 HD21 LEU 25 -0.001 -5.113 -5.335 201 HD22 LEU 25 HD22 LEU 25 -0.129 -3.365 -5.532 202 HD23 LEU 25 HD23 LEU 25 -0.213 -4.421 -6.944 203 H ASP 26 H ASP 26 -3.470 -8.472 -4.444 204 HA ASP 26 HA ASP 26 -4.073 -9.838 -6.826 205 HB2 ASP 26 HB2 ASP 26 -2.711 -10.902 -5.149 206 HB3 ASP 26 HB3 ASP 26 -4.004 -10.790 -3.958 207 H ASP 27 H ASP 27 -6.017 -9.284 -3.905 208 HA ASP 27 HA ASP 27 -8.287 -10.715 -4.712 209 HB2 ASP 27 HB2 ASP 27 -7.569 -9.398 -2.446 210 HB3 ASP 27 HB3 ASP 27 -8.771 -8.289 -3.101 211 H LEU 28 H LEU 28 -7.518 -7.258 -5.037 212 HA LEU 28 HA LEU 28 -9.915 -6.595 -6.402 213 HB2 LEU 28 HB2 LEU 28 -7.427 -5.269 -5.650 214 HB3 LEU 28 HB3 LEU 28 -8.086 -4.699 -7.182 215 HG LEU 28 HG LEU 28 -9.596 -4.737 -4.570 216 HD11 LEU 28 HD11 LEU 28 -7.736 -3.165 -4.483 217 HD12 LEU 28 HD12 LEU 28 -9.279 -2.316 -4.570 218 HD13 LEU 28 HD13 LEU 28 -8.261 -2.444 -6.005 219 HD21 LEU 28 HD21 LEU 28 -11.262 -3.469 -5.709 220 HD22 LEU 28 HD22 LEU 28 -10.932 -4.903 -6.680 221 HD23 LEU 28 HD23 LEU 28 -10.263 -3.342 -7.156 222 H LYS 29 H LYS 29 -6.928 -7.995 -7.398 223 HA LYS 29 HA LYS 29 -6.667 -7.280 -10.031 224 HB2 LYS 29 HB2 LYS 29 -5.210 -8.864 -8.683 225 HB3 LYS 29 HB3 LYS 29 -6.375 -10.125 -9.069 226 HG2 LYS 29 HG2 LYS 29 -5.944 -9.393 -11.528 227 HG3 LYS 29 HG3 LYS 29 -4.464 -8.701 -10.861 228 HD2 LYS 29 HD2 LYS 29 -3.901 -10.881 -11.584 229 HD3 LYS 29 HD3 LYS 29 -4.027 -10.969 -9.825 230 HE2 LYS 29 HE2 LYS 29 -6.275 -11.892 -10.027 231 HE3 LYS 29 HE3 LYS 29 -6.183 -11.767 -11.782 232 HZ1 LYS 29 HZ1 LYS 29 -5.468 -13.867 -11.649 233 HZ2 LYS 29 HZ2 LYS 29 -5.048 -13.747 -10.015 234 HZ3 LYS 29 HZ3 LYS 29 -3.982 -13.193 -11.204 235 H THR 30 H THR 30 -8.734 -9.868 -8.735 236 HA THR 30 HA THR 30 -9.981 -10.209 -11.351 237 HB THR 30 HB THR 30 -11.327 -11.989 -10.012 238 HG1 THR 30 HG1 THR 30 -10.612 -11.278 -7.938 239 HG21 THR 30 HG21 THR 30 -9.885 -12.890 -11.563 240 HG22 THR 30 HG22 THR 30 -9.168 -13.491 -10.068 241 HG23 THR 30 HG23 THR 30 -8.473 -12.087 -10.877 242 H ASP 31 H ASP 31 -10.710 -7.835 -10.885 243 HA ASP 31 HA ASP 31 -13.517 -7.942 -10.379 244 HB2 ASP 31 HB2 ASP 31 -12.175 -7.694 -8.075 245 HB3 ASP 31 HB3 ASP 31 -12.210 -5.998 -8.548 246 H LEU 32 H LEU 32 -14.489 -5.679 -10.513 247 HA LEU 32 HA LEU 32 -12.827 -3.904 -12.162 248 HB2 LEU 32 HB2 LEU 32 -15.622 -4.841 -12.779 249 HB3 LEU 32 HB3 LEU 32 -14.823 -3.506 -13.605 250 HG LEU 32 HG LEU 32 -13.003 -5.396 -14.061 251 HD11 LEU 32 HD11 LEU 32 -13.796 -7.317 -13.148 252 HD12 LEU 32 HD12 LEU 32 -14.595 -7.420 -14.716 253 HD13 LEU 32 HD13 LEU 32 -15.484 -6.833 -13.312 254 HD21 LEU 32 HD21 LEU 32 -14.112 -4.065 -15.762 255 HD22 LEU 32 HD22 LEU 32 -15.571 -5.042 -15.604 256 HD23 LEU 32 HD23 LEU 32 -14.089 -5.764 -16.231 257 H ASP 33 H ASP 33 -13.886 -3.923 -9.340 258 HA ASP 33 HA ASP 33 -15.723 -1.669 -9.330 259 HB2 ASP 33 HB2 ASP 33 -15.814 -1.982 -6.925 260 HB3 ASP 33 HB3 ASP 33 -16.014 -3.538 -7.726 261 H ASN 34 H ASN 34 -12.392 -2.402 -8.395 262 HA ASN 34 HA ASN 34 -11.854 0.487 -8.355 263 HB2 ASN 34 HB2 ASN 34 -10.464 -1.381 -6.451 264 HB3 ASN 34 HB3 ASN 34 -10.600 0.374 -6.372 265 HD21 ASN 34 HD21 ASN 34 -11.303 -1.863 -4.495 266 HD22 ASN 34 HD22 ASN 34 -12.938 -1.543 -4.039 267 H GLU 35 H GLU 35 -11.360 -0.581 -10.635 268 HA GLU 35 HA GLU 35 -8.905 -1.995 -10.892 269 HB2 GLU 35 HB2 GLU 35 -10.675 -2.081 -12.602 270 HB3 GLU 35 HB3 GLU 35 -10.418 -0.378 -12.950 271 HG2 GLU 35 HG2 GLU 35 -8.039 -0.989 -13.535 272 HG3 GLU 35 HG3 GLU 35 -8.555 -2.674 -13.464 273 H SER 36 H SER 36 -9.746 1.343 -11.839 274 HA SER 36 HA SER 36 -7.114 2.172 -12.320 275 HB2 SER 36 HB2 SER 36 -8.526 4.452 -11.492 276 HB3 SER 36 HB3 SER 36 -8.312 3.877 -13.145 277 HG SER 36 HG SER 36 -10.456 3.899 -12.944 278 H LEU 37 H LEU 37 -8.961 1.933 -9.379 279 HA LEU 37 HA LEU 37 -7.531 3.651 -7.717 280 HB2 LEU 37 HB2 LEU 37 -9.639 2.005 -7.387 281 HB3 LEU 37 HB3 LEU 37 -8.394 1.084 -6.545 282 HG LEU 37 HG LEU 37 -9.535 2.374 -4.916 283 HD11 LEU 37 HD11 LEU 37 -7.774 3.601 -3.938 284 HD12 LEU 37 HD12 LEU 37 -7.042 3.948 -5.505 285 HD13 LEU 37 HD13 LEU 37 -7.011 2.306 -4.861 286 HD21 LEU 37 HD21 LEU 37 -8.909 4.961 -6.260 287 HD22 LEU 37 HD22 LEU 37 -10.184 4.568 -5.106 288 HD23 LEU 37 HD23 LEU 37 -10.317 4.037 -6.783 289 H LYS 38 H LYS 38 -6.852 0.339 -8.705 290 HA LYS 38 HA LYS 38 -4.834 -0.345 -6.954 291 HB2 LYS 38 HB2 LYS 38 -5.338 -1.017 -9.834 292 HB3 LYS 38 HB3 LYS 38 -3.886 -1.604 -9.033 293 HG2 LYS 38 HG2 LYS 38 -5.016 -3.091 -7.767 294 HG3 LYS 38 HG3 LYS 38 -6.435 -2.051 -7.614 295 HD2 LYS 38 HD2 LYS 38 -7.293 -3.672 -8.978 296 HD3 LYS 38 HD3 LYS 38 -6.648 -2.574 -10.199 297 HE2 LYS 38 HE2 LYS 38 -6.028 -4.862 -10.712 298 HE3 LYS 38 HE3 LYS 38 -4.597 -3.918 -10.304 299 HZ1 LYS 38 HZ1 LYS 38 -5.129 -6.298 -9.255 300 HZ2 LYS 38 HZ2 LYS 38 -5.871 -5.313 -8.098 301 HZ3 LYS 38 HZ3 LYS 38 -4.228 -5.114 -8.450 302 H LYS 39 H LYS 39 -4.781 1.957 -9.545 303 HA LYS 39 HA LYS 39 -2.093 2.159 -10.138 304 HB2 LYS 39 HB2 LYS 39 -2.547 4.281 -11.010 305 HB3 LYS 39 HB3 LYS 39 -4.097 3.454 -11.108 306 HG2 LYS 39 HG2 LYS 39 -4.629 4.547 -8.867 307 HG3 LYS 39 HG3 LYS 39 -3.230 5.578 -9.177 308 HD2 LYS 39 HD2 LYS 39 -5.654 5.281 -10.951 309 HD3 LYS 39 HD3 LYS 39 -5.284 6.662 -9.915 310 HE2 LYS 39 HE2 LYS 39 -3.015 6.183 -11.534 311 HE3 LYS 39 HE3 LYS 39 -4.429 6.139 -12.586 312 HZ1 LYS 39 HZ1 LYS 39 -4.040 8.324 -10.638 313 HZ2 LYS 39 HZ2 LYS 39 -5.005 8.306 -12.027 314 HZ3 LYS 39 HZ3 LYS 39 -3.321 8.381 -12.167 315 H VAL 40 H VAL 40 -3.841 3.380 -7.344 316 HA VAL 40 HA VAL 40 -1.736 4.980 -6.311 317 HB VAL 40 HB VAL 40 -4.189 3.782 -5.039 318 HG11 VAL 40 HG11 VAL 40 -2.559 3.864 -3.285 319 HG12 VAL 40 HG12 VAL 40 -2.067 5.494 -3.752 320 HG13 VAL 40 HG13 VAL 40 -3.670 5.217 -3.070 321 HG21 VAL 40 HG21 VAL 40 -3.696 6.692 -5.157 322 HG22 VAL 40 HG22 VAL 40 -3.991 5.884 -6.696 323 HG23 VAL 40 HG23 VAL 40 -5.186 5.782 -5.402 324 H LEU 41 H LEU 41 -3.029 1.925 -4.995 325 HA LEU 41 HA LEU 41 -0.994 1.374 -3.225 326 HB2 LEU 41 HB2 LEU 41 -2.476 -0.685 -4.849 327 HB3 LEU 41 HB3 LEU 41 -1.702 -0.926 -3.283 328 HG LEU 41 HG LEU 41 -3.851 1.110 -3.414 329 HD11 LEU 41 HD11 LEU 41 -4.807 -1.648 -3.032 330 HD12 LEU 41 HD12 LEU 41 -4.405 -1.199 -4.688 331 HD13 LEU 41 HD13 LEU 41 -5.595 -0.263 -3.787 332 HD21 LEU 41 HD21 LEU 41 -2.501 0.419 -1.375 333 HD22 LEU 41 HD22 LEU 41 -3.394 -1.100 -1.427 334 HD23 LEU 41 HD23 LEU 41 -4.257 0.423 -1.200 335 H GLU 42 H GLU 42 -1.233 0.341 -6.620 336 HA GLU 42 HA GLU 42 1.145 -1.113 -6.740 337 HB2 GLU 42 HB2 GLU 42 -0.392 0.405 -8.841 338 HB3 GLU 42 HB3 GLU 42 1.058 -0.512 -9.224 339 HG2 GLU 42 HG2 GLU 42 -0.309 -2.393 -7.901 340 HG3 GLU 42 HG3 GLU 42 -1.653 -1.447 -8.539 341 H ASN 43 H ASN 43 0.590 2.256 -7.779 342 HA ASN 43 HA ASN 43 3.186 2.922 -8.432 343 HB2 ASN 43 HB2 ASN 43 0.892 4.542 -7.360 344 HB3 ASN 43 HB3 ASN 43 2.454 5.294 -7.668 345 HD21 ASN 43 HD21 ASN 43 1.244 6.583 -9.199 346 HD22 ASN 43 HD22 ASN 43 0.956 5.961 -10.786 347 H TYR 44 H TYR 44 1.629 3.773 -5.334 348 HA TYR 44 HA TYR 44 3.879 4.625 -3.991 349 HB2 TYR 44 HB2 TYR 44 1.311 3.379 -3.071 350 HB3 TYR 44 HB3 TYR 44 2.581 3.732 -1.905 351 HD1 TYR 44 HD2 TYR 44 3.425 6.131 -1.747 352 HD2 TYR 44 HD1 TYR 44 -0.144 5.067 -3.806 353 HE1 TYR 44 HE2 TYR 44 2.658 8.463 -1.613 354 HE2 TYR 44 HE1 TYR 44 -0.919 7.398 -3.679 355 HH TYR 44 HH TYR 44 1.087 9.961 -2.874 356 H LEU 45 H LEU 45 2.620 1.332 -4.299 357 HA LEU 45 HA LEU 45 4.349 0.038 -2.542 358 HB2 LEU 45 HB2 LEU 45 2.497 -1.151 -3.408 359 HB3 LEU 45 HB3 LEU 45 3.008 -0.876 -5.072 360 HG LEU 45 HG LEU 45 5.008 -2.345 -4.556 361 HD11 LEU 45 HD11 LEU 45 5.179 -2.498 -2.266 362 HD12 LEU 45 HD12 LEU 45 4.365 -4.012 -2.659 363 HD13 LEU 45 HD13 LEU 45 3.438 -2.648 -2.036 364 HD21 LEU 45 HD21 LEU 45 2.192 -3.144 -4.889 365 HD22 LEU 45 HD22 LEU 45 3.300 -4.425 -4.397 366 HD23 LEU 45 HD23 LEU 45 3.605 -3.514 -5.877 367 H GLU 46 H GLU 46 4.753 0.752 -5.995 368 HA GLU 46 HA GLU 46 7.211 -0.534 -6.356 369 HB2 GLU 46 HB2 GLU 46 5.520 0.709 -8.019 370 HB3 GLU 46 HB3 GLU 46 6.712 1.989 -7.841 371 HG2 GLU 46 HG2 GLU 46 7.364 0.784 -9.737 372 HG3 GLU 46 HG3 GLU 46 8.458 0.267 -8.455 373 H GLU 47 H GLU 47 6.414 2.613 -5.047 374 HA GLU 47 HA GLU 47 8.915 3.839 -5.163 375 HB2 GLU 47 HB2 GLU 47 6.910 4.142 -2.925 376 HB3 GLU 47 HB3 GLU 47 8.129 5.307 -3.422 377 HG2 GLU 47 HG2 GLU 47 6.953 5.422 -5.643 378 HG3 GLU 47 HG3 GLU 47 5.654 4.483 -4.910 379 H LEU 48 H LEU 48 7.597 1.537 -2.851 380 HA LEU 48 HA LEU 48 9.508 1.724 -0.841 381 HB2 LEU 48 HB2 LEU 48 7.881 -0.595 -1.844 382 HB3 LEU 48 HB3 LEU 48 8.953 -0.730 -0.452 383 HG LEU 48 HG LEU 48 7.093 1.505 -0.241 384 HD11 LEU 48 HD11 LEU 48 5.935 -0.567 -1.506 385 HD12 LEU 48 HD12 LEU 48 5.087 0.489 -0.377 386 HD13 LEU 48 HD13 LEU 48 5.714 -1.065 0.171 387 HD21 LEU 48 HD21 LEU 48 8.614 0.287 1.493 388 HD22 LEU 48 HD22 LEU 48 7.258 -0.836 1.606 389 HD23 LEU 48 HD23 LEU 48 7.021 0.873 1.973 390 H LYS 49 H LYS 49 9.656 0.165 -3.964 391 HA LYS 49 HA LYS 49 12.057 -1.307 -3.407 392 HB2 LYS 49 HB2 LYS 49 10.612 -0.656 -5.977 393 HB3 LYS 49 HB3 LYS 49 12.070 -1.639 -5.910 394 HG2 LYS 49 HG2 LYS 49 10.399 -3.225 -5.945 395 HG3 LYS 49 HG3 LYS 49 10.736 -3.071 -4.219 396 HD2 LYS 49 HD2 LYS 49 8.699 -2.233 -3.779 397 HD3 LYS 49 HD3 LYS 49 8.710 -1.204 -5.213 398 HE2 LYS 49 HE2 LYS 49 6.937 -2.950 -5.231 399 HE3 LYS 49 HE3 LYS 49 8.037 -3.033 -6.606 400 HZ1 LYS 49 HZ1 LYS 49 8.630 -5.078 -6.041 401 HZ2 LYS 49 HZ2 LYS 49 7.399 -5.076 -4.882 402 HZ3 LYS 49 HZ3 LYS 49 8.971 -4.628 -4.447 403 H GLN 50 H GLN 50 11.281 1.875 -4.535 404 HA GLN 50 HA GLN 50 13.851 2.415 -5.692 405 HB2 GLN 50 HB2 GLN 50 11.789 4.426 -4.783 406 HB3 GLN 50 HB3 GLN 50 13.071 4.669 -5.964 407 HG2 GLN 50 HG2 GLN 50 10.795 2.736 -6.324 408 HG3 GLN 50 HG3 GLN 50 10.802 4.390 -6.937 409 HE21 GLN 50 HE21 GLN 50 10.462 2.332 -8.664 410 HE22 GLN 50 HE22 GLN 50 11.865 2.143 -9.654 411 H LYS 51 H LYS 51 15.395 3.942 -4.879 412 HA LYS 51 HA LYS 51 15.622 3.813 -1.962 413 HB2 LYS 51 HB2 LYS 51 17.987 4.411 -2.329 414 HB3 LYS 51 HB3 LYS 51 17.526 2.962 -3.211 415 HG2 LYS 51 HG2 LYS 51 17.297 5.520 -4.669 416 HG3 LYS 51 HG3 LYS 51 18.929 4.958 -4.296 417 HD2 LYS 51 HD2 LYS 51 17.014 2.987 -5.422 418 HD3 LYS 51 HD3 LYS 51 17.649 4.226 -6.508 419 HE2 LYS 51 HE2 LYS 51 19.847 3.498 -6.246 420 HE3 LYS 51 HE3 LYS 51 19.483 2.634 -4.753 421 HZ1 LYS 51 HZ1 LYS 51 18.318 0.971 -5.977 422 HZ2 LYS 51 HZ2 LYS 51 19.831 1.174 -6.703 423 HZ3 LYS 51 HZ3 LYS 51 18.453 1.841 -7.422 424 H SER 52 H SER 52 14.122 5.809 -3.863 425 HA SER 52 HA SER 52 15.332 8.326 -3.094 426 HB2 SER 52 HB2 SER 52 14.347 8.225 -5.294 427 HB3 SER 52 HB3 SER 52 12.811 7.668 -4.632 428 HG SER 52 HG SER 52 12.293 9.672 -4.330 429 H ALA 53 H ALA 53 11.929 7.325 -2.871 430 HA ALA 53 HA ALA 53 11.496 8.950 -0.558 431 HB1 ALA 53 HB1 ALA 53 9.229 7.865 -0.577 432 HB2 ALA 53 HB2 ALA 53 9.677 8.700 -2.065 433 HB3 ALA 53 HB3 ALA 53 9.765 6.940 -1.981 434 H SER 54 H SER 54 11.189 8.348 1.559 435 HA SER 54 HA SER 54 12.541 5.969 2.407 436 HB2 SER 54 HB2 SER 54 10.939 7.909 4.091 437 HB3 SER 54 HB3 SER 54 12.158 6.769 4.659 438 HG SER 54 HG SER 54 12.734 8.805 2.781 439 H VAL 55 H VAL 55 11.617 4.359 3.844 440 HA VAL 55 HA VAL 55 9.407 3.060 2.826 441 HB VAL 55 HB VAL 55 10.894 2.877 5.395 442 HG11 VAL 55 HG11 VAL 55 9.287 0.957 5.999 443 HG12 VAL 55 HG12 VAL 55 8.791 2.611 6.361 444 HG13 VAL 55 HG13 VAL 55 8.140 1.782 4.946 445 HG21 VAL 55 HG21 VAL 55 11.690 0.955 4.520 446 HG22 VAL 55 HG22 VAL 55 10.136 0.500 3.823 447 HG23 VAL 55 HG23 VAL 55 11.161 1.673 2.999 448 HA PRO 56 HA PRO 56 6.688 4.917 6.368 449 HB2 PRO 56 HB2 PRO 56 7.740 6.977 7.789 450 HB3 PRO 56 HB3 PRO 56 7.947 5.285 8.254 451 HG2 PRO 56 HG2 PRO 56 9.838 7.093 6.799 452 HG3 PRO 56 HG3 PRO 56 10.174 5.937 8.101 453 HD2 PRO 56 HD2 PRO 56 10.666 5.382 5.497 454 HD3 PRO 56 HD3 PRO 56 10.191 4.133 6.667 455 H LEU 57 H LEU 57 8.739 6.887 4.375 456 HA LEU 57 HA LEU 57 7.026 9.181 4.324 457 HB2 LEU 57 HB2 LEU 57 9.441 8.285 2.824 458 HB3 LEU 57 HB3 LEU 57 8.467 9.599 2.167 459 HG LEU 57 HG LEU 57 9.810 9.585 4.870 460 HD11 LEU 57 HD11 LEU 57 10.717 11.651 3.153 461 HD12 LEU 57 HD12 LEU 57 10.836 10.123 2.281 462 HD13 LEU 57 HD13 LEU 57 11.632 10.310 3.843 463 HD21 LEU 57 HD21 LEU 57 8.147 11.055 5.288 464 HD22 LEU 57 HD22 LEU 57 7.838 11.362 3.579 465 HD23 LEU 57 HD23 LEU 57 9.192 12.152 4.387 466 H ILE 58 H ILE 58 7.118 6.161 2.685 467 HA ILE 58 HA ILE 58 5.335 7.119 0.568 468 HB ILE 58 HB ILE 58 6.580 4.388 0.903 469 HG12 ILE 58 HG12 ILE 58 7.385 6.451 -1.132 470 HG13 ILE 58 HG13 ILE 58 8.106 6.439 0.474 471 HG21 ILE 58 HG21 ILE 58 5.327 5.570 -1.563 472 HG22 ILE 58 HG22 ILE 58 5.815 3.899 -1.283 473 HG23 ILE 58 HG23 ILE 58 4.435 4.572 -0.416 474 HD11 ILE 58 HD11 ILE 58 9.388 4.668 0.013 475 HD12 ILE 58 HD12 ILE 58 8.107 3.843 -0.877 476 HD13 ILE 58 HD13 ILE 58 9.068 5.093 -1.668 477 H LEU 59 H LEU 59 5.456 4.861 3.274 478 HA LEU 59 HA LEU 59 2.991 3.598 2.879 479 HB2 LEU 59 HB2 LEU 59 4.643 4.144 5.321 480 HB3 LEU 59 HB3 LEU 59 3.092 3.315 5.431 481 HG LEU 59 HG LEU 59 5.460 2.353 3.826 482 HD11 LEU 59 HD11 LEU 59 6.184 1.981 5.965 483 HD12 LEU 59 HD12 LEU 59 5.254 0.510 5.684 484 HD13 LEU 59 HD13 LEU 59 4.550 1.833 6.612 485 HD21 LEU 59 HD21 LEU 59 4.128 0.802 2.951 486 HD22 LEU 59 HD22 LEU 59 2.765 1.736 3.567 487 HD23 LEU 59 HD23 LEU 59 3.431 0.415 4.523 488 H SER 60 H SER 60 3.739 6.278 5.116 489 HA SER 60 HA SER 60 1.114 6.818 5.876 490 HB2 SER 60 HB2 SER 60 3.580 8.551 5.767 491 HB3 SER 60 HB3 SER 60 2.039 9.160 6.373 492 HG SER 60 HG SER 60 3.505 8.252 7.985 493 H ARG 61 H ARG 61 2.997 8.022 3.148 494 HA ARG 61 HA ARG 61 1.150 9.970 2.278 495 HB2 ARG 61 HB2 ARG 61 3.638 9.524 1.586 496 HB3 ARG 61 HB3 ARG 61 2.913 8.495 0.359 497 HG2 ARG 61 HG2 ARG 61 2.782 10.321 -0.898 498 HG3 ARG 61 HG3 ARG 61 1.468 10.833 0.163 499 HD2 ARG 61 HD2 ARG 61 3.045 12.026 1.575 500 HD3 ARG 61 HD3 ARG 61 4.388 11.463 0.580 501 HE ARG 61 HE ARG 61 2.795 12.752 -1.189 502 HH11 ARG 61 HH11 ARG 61 4.188 13.635 1.877 503 HH12 ARG 61 HH12 ARG 61 4.307 15.319 1.486 504 HH21 ARG 61 HH21 ARG 61 2.946 14.966 -1.716 505 HH22 ARG 61 HH22 ARG 61 3.599 16.075 -0.558 506 H MET 62 H MET 62 1.691 6.613 1.224 507 HA MET 62 HA MET 62 -0.223 6.458 -0.761 508 HB2 MET 62 HB2 MET 62 1.432 4.687 -0.224 509 HB3 MET 62 HB3 MET 62 0.490 4.272 1.203 510 HG2 MET 62 HG2 MET 62 -1.450 3.888 -0.412 511 HG3 MET 62 HG3 MET 62 -0.230 3.920 -1.683 512 HE1 MET 62 HE1 MET 62 -1.012 2.748 1.712 513 HE2 MET 62 HE2 MET 62 -1.179 1.002 1.524 514 HE3 MET 62 HE3 MET 62 0.369 1.693 2.012 515 H ASN 63 H ASN 63 -0.631 5.717 2.700 516 HA ASN 63 HA ASN 63 -3.303 5.007 2.674 517 HB2 ASN 63 HB2 ASN 63 -1.976 6.609 4.867 518 HB3 ASN 63 HB3 ASN 63 -3.340 5.507 5.028 519 HD21 ASN 63 HD21 ASN 63 -0.502 5.653 6.127 520 HD22 ASN 63 HD22 ASN 63 0.108 4.054 5.888 521 H LEU 64 H LEU 64 -1.862 8.231 2.852 522 HA LEU 64 HA LEU 64 -4.252 9.662 3.264 523 HB2 LEU 64 HB2 LEU 64 -1.699 10.534 1.919 524 HB3 LEU 64 HB3 LEU 64 -2.986 11.612 2.454 525 HG LEU 64 HG LEU 64 -1.711 9.829 4.469 526 HD11 LEU 64 HD11 LEU 64 -0.148 11.463 2.825 527 HD12 LEU 64 HD12 LEU 64 0.316 10.719 4.355 528 HD13 LEU 64 HD13 LEU 64 -0.347 12.353 4.335 529 HD21 LEU 64 HD21 LEU 64 -3.494 11.128 5.284 530 HD22 LEU 64 HD22 LEU 64 -2.949 12.568 4.423 531 HD23 LEU 64 HD23 LEU 64 -2.033 11.967 5.807 532 H ASP 65 H ASP 65 -2.885 8.195 0.458 533 HA ASP 65 HA ASP 65 -4.569 9.708 -1.372 534 HB2 ASP 65 HB2 ASP 65 -2.095 8.589 -1.669 535 HB3 ASP 65 HB3 ASP 65 -3.122 7.367 -2.416 536 H ILE 66 H ILE 66 -4.250 6.422 -0.111 537 HA ILE 66 HA ILE 66 -6.263 5.230 -1.670 538 HB ILE 66 HB ILE 66 -5.333 4.488 1.106 539 HG12 ILE 66 HG12 ILE 66 -4.536 3.350 -1.581 540 HG13 ILE 66 HG13 ILE 66 -3.576 4.511 -0.671 541 HG21 ILE 66 HG21 ILE 66 -7.488 3.483 -0.470 542 HG22 ILE 66 HG22 ILE 66 -6.244 2.241 -0.335 543 HG23 ILE 66 HG23 ILE 66 -6.938 2.956 1.120 544 HD11 ILE 66 HD11 ILE 66 -3.225 2.937 1.088 545 HD12 ILE 66 HD12 ILE 66 -4.354 1.796 0.356 546 HD13 ILE 66 HD13 ILE 66 -2.826 2.161 -0.445 547 H SER 67 H SER 67 -6.425 6.352 1.715 548 HA SER 67 HA SER 67 -9.124 5.948 2.143 549 HB2 SER 67 HB2 SER 67 -7.887 6.524 4.047 550 HB3 SER 67 HB3 SER 67 -7.167 7.934 3.269 551 HG SER 67 HG SER 67 -9.508 7.713 4.649 552 H LYS 68 H LYS 68 -7.509 8.577 0.481 553 HA LYS 68 HA LYS 68 -9.796 10.272 0.304 554 HB2 LYS 68 HB2 LYS 68 -7.033 10.280 -0.654 555 HB3 LYS 68 HB3 LYS 68 -8.162 10.987 -1.803 556 HG2 LYS 68 HG2 LYS 68 -8.930 12.559 -0.137 557 HG3 LYS 68 HG3 LYS 68 -7.899 11.808 1.083 558 HD2 LYS 68 HD2 LYS 68 -5.979 12.702 0.206 559 HD3 LYS 68 HD3 LYS 68 -6.638 12.787 -1.430 560 HE2 LYS 68 HE2 LYS 68 -6.458 15.020 -0.676 561 HE3 LYS 68 HE3 LYS 68 -8.170 14.606 -0.582 562 HZ1 LYS 68 HZ1 LYS 68 -7.694 15.678 1.418 563 HZ2 LYS 68 HZ2 LYS 68 -6.225 14.867 1.629 564 HZ3 LYS 68 HZ3 LYS 68 -7.685 14.038 1.829 565 H ALA 69 H ALA 69 -8.284 7.926 -1.874 566 HA ALA 69 HA ALA 69 -9.866 8.350 -4.127 567 HB1 ALA 69 HB1 ALA 69 -9.129 5.552 -3.570 568 HB2 ALA 69 HB2 ALA 69 -8.822 6.548 -4.993 569 HB3 ALA 69 HB3 ALA 69 -7.803 6.714 -3.564 570 H ILE 70 H ILE 70 -10.665 6.932 -1.102 571 HA ILE 70 HA ILE 70 -12.781 5.242 -1.899 572 HB ILE 70 HB ILE 70 -12.635 6.709 0.729 573 HG12 ILE 70 HG12 ILE 70 -11.166 4.227 -0.172 574 HG13 ILE 70 HG13 ILE 70 -10.461 5.735 0.399 575 HG21 ILE 70 HG21 ILE 70 -13.829 4.806 1.598 576 HG22 ILE 70 HG22 ILE 70 -14.700 5.450 0.207 577 HG23 ILE 70 HG23 ILE 70 -13.729 3.986 0.041 578 HD11 ILE 70 HD11 ILE 70 -12.019 3.738 2.019 579 HD12 ILE 70 HD12 ILE 70 -10.293 4.089 2.123 580 HD13 ILE 70 HD13 ILE 70 -11.473 5.304 2.617 581 H ARG 71 H ARG 71 -13.137 8.324 -0.144 582 HA ARG 71 HA ARG 71 -15.831 8.684 -0.830 583 HB2 ARG 71 HB2 ARG 71 -15.465 11.050 -0.110 584 HB3 ARG 71 HB3 ARG 71 -14.915 9.853 1.055 585 HG2 ARG 71 HG2 ARG 71 -12.605 10.152 0.126 586 HG3 ARG 71 HG3 ARG 71 -13.236 11.512 -0.806 587 HD2 ARG 71 HD2 ARG 71 -14.078 12.418 1.432 588 HD3 ARG 71 HD3 ARG 71 -13.019 11.220 2.174 589 HE ARG 71 HE ARG 71 -11.236 12.550 1.661 590 HH11 ARG 71 HH11 ARG 71 -13.944 13.496 -0.311 591 HH12 ARG 71 HH12 ARG 71 -13.141 14.876 -0.981 592 HH21 ARG 71 HH21 ARG 71 -10.168 14.365 0.785 593 HH22 ARG 71 HH22 ARG 71 -10.993 15.369 -0.358 594 H ASN 72 H ASN 72 -12.885 10.074 -2.250 595 HA ASN 72 HA ASN 72 -14.050 11.734 -4.137 596 HB2 ASN 72 HB2 ASN 72 -11.440 10.299 -3.952 597 HB3 ASN 72 HB3 ASN 72 -11.873 11.040 -5.490 598 HD21 ASN 72 HD21 ASN 72 -11.605 11.727 -2.035 599 HD22 ASN 72 HD22 ASN 72 -11.132 13.377 -2.221 600 H ASP 73 H ASP 73 -12.518 8.679 -5.104 601 HA ASP 73 HA ASP 73 -13.844 8.416 -7.522 602 HB2 ASP 73 HB2 ASP 73 -11.840 7.080 -6.512 603 HB3 ASP 73 HB3 ASP 73 -13.092 5.988 -5.929 604 H GLY 74 H GLY 74 -14.631 6.765 -4.455 605 HA2 GLY 74 HA2 GLY 74 -16.977 6.758 -3.742 606 HA3 GLY 74 HA3 GLY 74 -17.412 6.550 -5.432 607 H VAL 75 H VAL 75 -14.700 4.816 -4.154 608 HA VAL 75 HA VAL 75 -15.969 2.304 -4.756 609 HB VAL 75 HB VAL 75 -13.857 1.275 -4.205 610 HG11 VAL 75 HG11 VAL 75 -12.426 2.352 -5.809 611 HG12 VAL 75 HG12 VAL 75 -14.094 2.454 -6.376 612 HG13 VAL 75 HG13 VAL 75 -13.318 3.864 -5.652 613 HG21 VAL 75 HG21 VAL 75 -12.209 3.502 -3.595 614 HG22 VAL 75 HG22 VAL 75 -13.574 3.515 -2.480 615 HG23 VAL 75 HG23 VAL 75 -12.550 2.084 -2.603 616 H THR 76 H THR 76 -15.122 0.531 -2.938 617 HA THR 76 HA THR 76 -15.934 1.429 -0.284 618 HB THR 76 HB THR 76 -17.254 -1.063 -1.244 619 HG1 THR 76 HG1 THR 76 -18.821 0.022 -2.312 620 HG21 THR 76 HG21 THR 76 -17.281 0.392 1.092 621 HG22 THR 76 HG22 THR 76 -18.480 -0.811 0.617 622 HG23 THR 76 HG23 THR 76 -18.771 0.898 0.297 623 H LEU 77 H LEU 77 -14.737 0.495 1.248 624 HA LEU 77 HA LEU 77 -12.815 -1.523 0.510 625 HB2 LEU 77 HB2 LEU 77 -13.215 -0.667 3.331 626 HB3 LEU 77 HB3 LEU 77 -11.723 -1.026 2.465 627 HG LEU 77 HG LEU 77 -13.376 1.485 2.198 628 HD11 LEU 77 HD11 LEU 77 -10.868 2.192 3.021 629 HD12 LEU 77 HD12 LEU 77 -11.150 0.699 3.917 630 HD13 LEU 77 HD13 LEU 77 -12.282 2.044 4.064 631 HD21 LEU 77 HD21 LEU 77 -12.290 1.923 0.314 632 HD22 LEU 77 HD22 LEU 77 -11.596 0.302 0.366 633 HD23 LEU 77 HD23 LEU 77 -10.737 1.655 1.107 634 H SER 78 H SER 78 -12.624 -2.859 3.015 635 HA SER 78 HA SER 78 -15.126 -4.156 3.575 636 HB2 SER 78 HB2 SER 78 -14.322 -5.219 1.414 637 HB3 SER 78 HB3 SER 78 -12.963 -5.863 2.336 638 HG SER 78 HG SER 78 -14.949 -7.213 2.092 639 H ASP 79 H ASP 79 -14.506 -6.315 4.901 640 HA ASP 79 HA ASP 79 -13.428 -5.491 7.305 641 HB2 ASP 79 HB2 ASP 79 -14.810 -7.505 7.065 642 HB3 ASP 79 HB3 ASP 79 -13.504 -8.306 6.196 643 H TYR 80 H TYR 80 -11.802 -7.964 5.331 644 HA TYR 80 HA TYR 80 -9.311 -7.744 6.497 645 HB2 TYR 80 HB2 TYR 80 -8.427 -8.874 4.546 646 HB3 TYR 80 HB3 TYR 80 -10.005 -9.548 4.937 647 HD1 TYR 80 HD1 TYR 80 -12.009 -8.773 3.581 648 HD2 TYR 80 HD2 TYR 80 -7.995 -7.977 2.418 649 HE1 TYR 80 HE1 TYR 80 -12.768 -8.341 1.282 650 HE2 TYR 80 HE2 TYR 80 -8.743 -7.541 0.116 651 HH TYR 80 HH TYR 80 -11.329 -6.727 -0.856 652 H GLN 81 H GLN 81 -10.711 -5.844 3.890 653 HA GLN 81 HA GLN 81 -8.395 -4.527 3.027 654 HB2 GLN 81 HB2 GLN 81 -11.294 -4.144 2.768 655 HB3 GLN 81 HB3 GLN 81 -10.366 -2.654 2.677 656 HG2 GLN 81 HG2 GLN 81 -9.360 -4.907 1.067 657 HG3 GLN 81 HG3 GLN 81 -10.897 -4.207 0.562 658 HE21 GLN 81 HE21 GLN 81 -9.854 -3.507 -1.354 659 HE22 GLN 81 HE22 GLN 81 -8.856 -2.097 -1.352 660 H SER 82 H SER 82 -10.960 -2.966 4.937 661 HA SER 82 HA SER 82 -9.508 -0.801 5.807 662 HB2 SER 82 HB2 SER 82 -11.248 -0.362 7.274 663 HB3 SER 82 HB3 SER 82 -12.035 -1.461 6.141 664 HG SER 82 HG SER 82 -12.226 -1.870 8.523 665 H LYS 83 H LYS 83 -9.589 -4.052 7.130 666 HA LYS 83 HA LYS 83 -8.222 -3.511 9.541 667 HB2 LYS 83 HB2 LYS 83 -8.942 -5.910 7.973 668 HB3 LYS 83 HB3 LYS 83 -7.554 -6.089 9.037 669 HG2 LYS 83 HG2 LYS 83 -9.537 -6.793 10.189 670 HG3 LYS 83 HG3 LYS 83 -8.939 -5.302 10.923 671 HD2 LYS 83 HD2 LYS 83 -10.593 -4.136 9.302 672 HD3 LYS 83 HD3 LYS 83 -11.344 -5.728 9.186 673 HE2 LYS 83 HE2 LYS 83 -10.791 -4.359 11.809 674 HE3 LYS 83 HE3 LYS 83 -12.303 -4.163 10.926 675 HZ1 LYS 83 HZ1 LYS 83 -12.688 -6.525 11.084 676 HZ2 LYS 83 HZ2 LYS 83 -12.438 -5.890 12.631 677 HZ3 LYS 83 HZ3 LYS 83 -11.205 -6.758 11.865 678 H LYS 84 H LYS 84 -7.037 -4.854 6.457 679 HA LYS 84 HA LYS 84 -4.336 -4.984 7.142 680 HB2 LYS 84 HB2 LYS 84 -3.964 -5.540 4.957 681 HB3 LYS 84 HB3 LYS 84 -5.705 -5.787 5.009 682 HG2 LYS 84 HG2 LYS 84 -5.613 -4.531 3.136 683 HG3 LYS 84 HG3 LYS 84 -5.677 -3.214 4.311 684 HD2 LYS 84 HD2 LYS 84 -3.059 -3.501 4.274 685 HD3 LYS 84 HD3 LYS 84 -3.382 -4.214 2.690 686 HE2 LYS 84 HE2 LYS 84 -4.908 -1.982 2.564 687 HE3 LYS 84 HE3 LYS 84 -3.595 -1.420 3.597 688 HZ1 LYS 84 HZ1 LYS 84 -2.071 -1.633 1.940 689 HZ2 LYS 84 HZ2 LYS 84 -3.434 -1.287 0.999 690 HZ3 LYS 84 HZ3 LYS 84 -2.901 -2.884 1.159 691 H LEU 85 H LEU 85 -6.316 -2.272 6.429 692 HA LEU 85 HA LEU 85 -4.332 -0.479 5.505 693 HB2 LEU 85 HB2 LEU 85 -6.926 -0.307 5.485 694 HB3 LEU 85 HB3 LEU 85 -6.713 0.410 7.082 695 HG LEU 85 HG LEU 85 -5.136 1.563 4.847 696 HD11 LEU 85 HD11 LEU 85 -7.881 2.611 5.156 697 HD12 LEU 85 HD12 LEU 85 -7.705 1.102 4.262 698 HD13 LEU 85 HD13 LEU 85 -6.841 2.546 3.734 699 HD21 LEU 85 HD21 LEU 85 -5.419 3.578 6.071 700 HD22 LEU 85 HD22 LEU 85 -5.042 2.315 7.244 701 HD23 LEU 85 HD23 LEU 85 -6.704 2.877 7.057 702 H LYS 86 H LYS 86 -5.450 -1.395 8.706 703 HA LYS 86 HA LYS 86 -4.052 0.654 10.108 704 HB2 LYS 86 HB2 LYS 86 -4.790 -0.374 12.064 705 HB3 LYS 86 HB3 LYS 86 -6.036 -0.806 10.901 706 HG2 LYS 86 HG2 LYS 86 -5.732 -2.871 11.712 707 HG3 LYS 86 HG3 LYS 86 -4.347 -2.895 10.618 708 HD2 LYS 86 HD2 LYS 86 -3.235 -3.474 12.502 709 HD3 LYS 86 HD3 LYS 86 -3.217 -1.727 12.760 710 HE2 LYS 86 HE2 LYS 86 -5.108 -1.856 14.215 711 HE3 LYS 86 HE3 LYS 86 -5.371 -3.552 13.814 712 HZ1 LYS 86 HZ1 LYS 86 -2.956 -2.509 15.190 713 HZ2 LYS 86 HZ2 LYS 86 -3.337 -4.133 14.909 714 HZ3 LYS 86 HZ3 LYS 86 -4.275 -3.217 15.978 715 H GLU 87 H GLU 87 -2.978 -2.037 8.451 716 HA GLU 87 HA GLU 87 -0.944 -3.057 10.073 717 HB2 GLU 87 HB2 GLU 87 -1.128 -2.841 7.066 718 HB3 GLU 87 HB3 GLU 87 0.125 -3.744 7.903 719 HG2 GLU 87 HG2 GLU 87 -2.740 -4.328 8.479 720 HG3 GLU 87 HG3 GLU 87 -1.996 -4.953 7.008 721 H LEU 88 H LEU 88 -0.201 -1.131 7.191 722 HA LEU 88 HA LEU 88 2.280 -0.247 8.194 723 HB2 LEU 88 HB2 LEU 88 2.043 1.463 6.288 724 HB3 LEU 88 HB3 LEU 88 2.141 -0.250 5.888 725 HG LEU 88 HG LEU 88 0.430 1.259 4.659 726 HD11 LEU 88 HD11 LEU 88 0.498 -1.482 5.361 727 HD12 LEU 88 HD12 LEU 88 -0.240 -0.729 3.948 728 HD13 LEU 88 HD13 LEU 88 -1.184 -0.954 5.419 729 HD21 LEU 88 HD21 LEU 88 -1.202 0.596 7.099 730 HD22 LEU 88 HD22 LEU 88 -1.678 1.561 5.702 731 HD23 LEU 88 HD23 LEU 88 -0.467 2.175 6.827 732 H THR 89 H THR 89 -0.817 0.698 9.006 733 HA THR 89 HA THR 89 -0.511 3.486 9.346 734 HB THR 89 HB THR 89 -2.355 1.501 10.677 735 HG1 THR 89 HG1 THR 89 -2.509 3.287 8.502 736 HG21 THR 89 HG21 THR 89 -2.250 3.199 12.283 737 HG22 THR 89 HG22 THR 89 -3.637 3.650 11.292 738 HG23 THR 89 HG23 THR 89 -2.090 4.466 11.068 739 H SER 90 H SER 90 -0.351 0.841 11.737 740 HA SER 90 HA SER 90 0.660 2.571 13.785 741 HB2 SER 90 HB2 SER 90 -0.179 -0.226 13.560 742 HB3 SER 90 HB3 SER 90 1.198 0.003 14.638 743 HG SER 90 HG SER 90 -0.029 1.532 15.781 744 H ILE 91 H ILE 91 2.041 0.619 11.294 745 HA ILE 91 HA ILE 91 4.624 0.290 12.439 746 HB ILE 91 HB ILE 91 3.801 0.227 9.534 747 HG12 ILE 91 HG12 ILE 91 4.349 -2.148 11.297 748 HG13 ILE 91 HG13 ILE 91 2.747 -1.422 11.222 749 HG21 ILE 91 HG21 ILE 91 6.378 -0.070 10.878 750 HG22 ILE 91 HG22 ILE 91 5.979 -1.403 9.795 751 HG23 ILE 91 HG23 ILE 91 6.012 0.250 9.183 752 HD11 ILE 91 HD11 ILE 91 3.961 -3.285 9.446 753 HD12 ILE 91 HD12 ILE 91 2.316 -2.649 9.440 754 HD13 ILE 91 HD13 ILE 91 3.592 -1.801 8.567 755 H SER 92 H SER 92 3.052 2.855 10.722 756 HA SER 92 HA SER 92 5.399 4.216 9.858 757 HB2 SER 92 HB2 SER 92 3.930 6.053 9.321 758 HB3 SER 92 HB3 SER 92 3.109 4.554 8.888 759 HG SER 92 HG SER 92 1.565 5.330 10.085 760 H ASN 93 H ASN 93 6.747 5.479 10.959 761 HA ASN 93 HA ASN 93 6.291 5.921 13.778 762 HB2 ASN 93 HB2 ASN 93 8.512 5.268 13.125 763 HB3 ASN 93 HB3 ASN 93 8.612 6.585 11.960 764 HD21 ASN 93 HD21 ASN 93 7.881 6.157 15.408 765 HD22 ASN 93 HD22 ASN 93 8.857 7.474 15.951 766 H ILE 94 H ILE 94 4.413 7.328 13.438 767 HA ILE 94 HA ILE 94 4.908 9.961 12.336 768 HB ILE 94 HB ILE 94 2.444 9.042 13.809 769 HG12 ILE 94 HG12 ILE 94 3.051 8.864 10.849 770 HG13 ILE 94 HG13 ILE 94 2.927 7.501 11.954 771 HG21 ILE 94 HG21 ILE 94 3.085 11.537 13.123 772 HG22 ILE 94 HG22 ILE 94 2.375 11.008 11.598 773 HG23 ILE 94 HG23 ILE 94 1.427 10.936 13.082 774 HD11 ILE 94 HD11 ILE 94 0.557 8.218 12.388 775 HD12 ILE 94 HD12 ILE 94 0.741 9.343 11.042 776 HD13 ILE 94 HD13 ILE 94 0.894 7.608 10.769 777 H ARG 95 H ARG 95 6.707 9.977 14.140 778 HA ARG 95 HA ARG 95 5.589 11.056 16.631 779 HB2 ARG 95 HB2 ARG 95 7.678 10.591 17.671 780 HB3 ARG 95 HB3 ARG 95 7.266 9.172 16.716 781 HG2 ARG 95 HG2 ARG 95 9.416 9.359 16.073 782 HG3 ARG 95 HG3 ARG 95 8.728 10.493 14.909 783 HD2 ARG 95 HD2 ARG 95 10.381 11.810 15.747 784 HD3 ARG 95 HD3 ARG 95 9.115 12.188 16.914 785 HE ARG 95 HE ARG 95 10.322 11.102 18.536 786 HH11 ARG 95 HH11 ARG 95 11.642 10.349 15.404 787 HH12 ARG 95 HH12 ARG 95 13.047 9.561 16.041 788 HH21 ARG 95 HH21 ARG 95 12.168 10.067 19.388 789 HH22 ARG 95 HH22 ARG 95 13.344 9.400 18.307 790 H TYR 96 H TYR 96 7.628 11.828 13.893 791 HA TYR 96 HA TYR 96 8.674 14.265 14.871 792 HB2 TYR 96 HB2 TYR 96 8.311 13.135 12.104 793 HB3 TYR 96 HB3 TYR 96 8.969 14.747 12.359 794 HD1 TYR 96 HD1 TYR 96 10.827 14.639 14.433 795 HD2 TYR 96 HD2 TYR 96 9.926 11.571 11.626 796 HE1 TYR 96 HE1 TYR 96 13.064 13.676 14.776 797 HE2 TYR 96 HE2 TYR 96 12.160 10.599 11.962 798 HH TYR 96 HH TYR 96 13.926 10.583 13.647 799 H GLY 97 H GLY 97 8.177 16.417 13.854 800 HA2 GLY 97 HA2 GLY 97 5.291 16.853 14.017 801 HA3 GLY 97 HA3 GLY 97 6.535 18.090 14.110 802 H TYR 98 H TYR 98 6.153 15.590 11.638 803 HA TYR 98 HA TYR 98 6.013 17.720 9.626 804 HB2 TYR 98 HB2 TYR 98 6.501 14.779 9.145 805 HB3 TYR 98 HB3 TYR 98 6.789 16.110 8.031 806 HD1 TYR 98 HD1 TYR 98 8.179 18.034 9.803 807 HD2 TYR 98 HD2 TYR 98 8.609 13.817 9.432 808 HE1 TYR 98 HE1 TYR 98 10.498 18.206 10.604 809 HE2 TYR 98 HE2 TYR 98 10.929 13.977 10.232 810 HH TYR 98 HH TYR 98 12.465 17.095 10.801 Start of MODEL 20 1 H1 MET 1 H MET 1 16.328 -23.247 12.621 2 HA MET 1 HA MET 1 13.931 -22.687 11.069 3 HB2 MET 1 HB2 MET 1 14.190 -21.637 13.271 4 HB3 MET 1 HB3 MET 1 15.674 -20.859 12.734 5 HG2 MET 1 HG2 MET 1 14.457 -19.544 11.127 6 HG3 MET 1 HG3 MET 1 12.962 -20.390 11.520 7 HE1 MET 1 HE1 MET 1 11.776 -19.250 14.728 8 HE2 MET 1 HE2 MET 1 11.193 -18.561 13.213 9 HE3 MET 1 HE3 MET 1 11.664 -20.260 13.287 10 H GLY 2 H GLY 2 13.910 -21.798 9.091 11 HA2 GLY 2 HA2 GLY 2 16.367 -20.533 8.085 12 HA3 GLY 2 HA3 GLY 2 15.641 -21.843 7.166 13 H LYS 3 H LYS 3 15.420 -18.508 8.076 14 HA LYS 3 HA LYS 3 14.170 -16.768 7.307 15 HB2 LYS 3 HB2 LYS 3 14.203 -18.623 4.942 16 HB3 LYS 3 HB3 LYS 3 13.329 -17.098 4.877 17 HG2 LYS 3 HG2 LYS 3 15.386 -16.570 3.961 18 HG3 LYS 3 HG3 LYS 3 15.551 -16.041 5.637 19 HD2 LYS 3 HD2 LYS 3 16.975 -17.771 6.181 20 HD3 LYS 3 HD3 LYS 3 16.371 -18.814 4.890 21 HE2 LYS 3 HE2 LYS 3 18.588 -18.095 4.321 22 HE3 LYS 3 HE3 LYS 3 17.446 -17.297 3.242 23 HZ1 LYS 3 HZ1 LYS 3 17.865 -15.706 5.533 24 HZ2 LYS 3 HZ2 LYS 3 18.183 -15.337 3.914 25 HZ3 LYS 3 HZ3 LYS 3 19.362 -16.106 4.853 26 H LEU 4 H LEU 4 12.798 -18.506 8.989 27 HA LEU 4 HA LEU 4 10.241 -19.182 7.881 28 HB2 LEU 4 HB2 LEU 4 11.543 -20.159 9.946 29 HB3 LEU 4 HB3 LEU 4 10.688 -18.885 10.813 30 HG LEU 4 HG LEU 4 8.545 -19.847 10.038 31 HD11 LEU 4 HD11 LEU 4 10.258 -21.311 8.307 32 HD12 LEU 4 HD12 LEU 4 8.496 -21.299 8.367 33 HD13 LEU 4 HD13 LEU 4 9.403 -22.453 9.344 34 HD21 LEU 4 HD21 LEU 4 9.682 -20.457 12.211 35 HD22 LEU 4 HD22 LEU 4 10.218 -21.935 11.413 36 HD23 LEU 4 HD23 LEU 4 8.495 -21.613 11.609 37 H LYS 5 H LYS 5 8.198 -18.310 8.715 38 HA LYS 5 HA LYS 5 8.408 -15.418 9.244 39 HB2 LYS 5 HB2 LYS 5 6.087 -15.335 8.202 40 HB3 LYS 5 HB3 LYS 5 7.427 -15.661 7.110 41 HG2 LYS 5 HG2 LYS 5 6.891 -18.006 7.073 42 HG3 LYS 5 HG3 LYS 5 5.632 -17.772 8.288 43 HD2 LYS 5 HD2 LYS 5 4.402 -17.809 6.333 44 HD3 LYS 5 HD3 LYS 5 4.664 -16.079 6.561 45 HE2 LYS 5 HE2 LYS 5 6.634 -17.652 4.967 46 HE3 LYS 5 HE3 LYS 5 5.094 -17.213 4.232 47 HZ1 LYS 5 HZ1 LYS 5 7.375 -15.573 4.802 48 HZ2 LYS 5 HZ2 LYS 5 5.934 -14.899 5.373 49 HZ3 LYS 5 HZ3 LYS 5 6.090 -15.300 3.737 50 H TRP 6 H TRP 6 7.650 -14.729 11.129 51 HA TRP 6 HA TRP 6 6.322 -16.547 12.918 52 HB2 TRP 6 HB2 TRP 6 7.053 -13.626 13.212 53 HB3 TRP 6 HB3 TRP 6 6.378 -14.620 14.500 54 HD1 TRP 6 HD1 TRP 6 9.605 -14.012 12.563 55 HE1 TRP 6 HE1 TRP 6 11.536 -15.217 13.766 56 HE3 TRP 6 HE3 TRP 6 6.896 -16.647 16.006 57 HZ2 TRP 6 HZ2 TRP 6 11.866 -17.043 15.892 58 HZ3 TRP 6 HZ3 TRP 6 8.097 -18.101 17.588 59 HH2 TRP 6 HH2 TRP 6 10.529 -18.294 17.531 60 H PHE 7 H PHE 7 4.520 -15.192 14.321 61 HA PHE 7 HA PHE 7 2.292 -15.012 12.493 62 HB2 PHE 7 HB2 PHE 7 2.379 -14.685 15.500 63 HB3 PHE 7 HB3 PHE 7 0.921 -14.829 14.524 64 HD1 PHE 7 HD1 PHE 7 0.661 -16.978 13.134 65 HD2 PHE 7 HD2 PHE 7 3.384 -16.574 16.381 66 HE1 PHE 7 HE1 PHE 7 0.753 -19.427 13.359 67 HE2 PHE 7 HE2 PHE 7 3.480 -19.022 16.610 68 HZ PHE 7 HZ PHE 7 2.165 -20.452 15.097 69 H SER 8 H SER 8 3.722 -12.872 14.958 70 HA SER 8 HA SER 8 2.143 -10.625 14.261 71 HB2 SER 8 HB2 SER 8 3.449 -11.072 16.444 72 HB3 SER 8 HB3 SER 8 4.845 -10.432 15.577 73 HG SER 8 HG SER 8 3.787 -8.778 16.704 74 H GLY 9 H GLY 9 5.374 -11.705 13.321 75 HA2 GLY 9 HA2 GLY 9 5.835 -11.133 10.900 76 HA3 GLY 9 HA3 GLY 9 5.474 -9.482 11.379 77 H GLY 10 H GLY 10 7.949 -11.081 10.402 78 HA2 GLY 10 HA2 GLY 10 9.898 -11.056 12.412 79 HA3 GLY 10 HA3 GLY 10 10.220 -10.931 10.689 80 H LYS 11 H LYS 11 11.999 -9.580 11.765 81 HA LYS 11 HA LYS 11 11.300 -6.988 12.739 82 HB2 LYS 11 HB2 LYS 11 13.579 -6.614 12.976 83 HB3 LYS 11 HB3 LYS 11 13.471 -8.363 13.121 84 HG2 LYS 11 HG2 LYS 11 14.184 -6.895 10.591 85 HG3 LYS 11 HG3 LYS 11 15.348 -7.607 11.710 86 HD2 LYS 11 HD2 LYS 11 13.181 -9.119 10.251 87 HD3 LYS 11 HD3 LYS 11 14.881 -9.069 9.782 88 HE2 LYS 11 HE2 LYS 11 15.466 -10.041 11.986 89 HE3 LYS 11 HE3 LYS 11 13.746 -10.178 12.347 90 HZ1 LYS 11 HZ1 LYS 11 14.507 -12.269 11.550 91 HZ2 LYS 11 HZ2 LYS 11 15.240 -11.569 10.195 92 HZ3 LYS 11 HZ3 LYS 11 13.554 -11.588 10.328 93 H GLU 12 H GLU 12 11.505 -8.358 9.637 94 HA GLU 12 HA GLU 12 12.276 -6.034 8.178 95 HB2 GLU 12 HB2 GLU 12 11.294 -7.310 6.222 96 HB3 GLU 12 HB3 GLU 12 12.593 -8.114 7.091 97 HG2 GLU 12 HG2 GLU 12 11.198 -9.697 7.994 98 HG3 GLU 12 HG3 GLU 12 9.770 -8.673 7.856 99 H ARG 13 H ARG 13 10.904 -4.436 9.173 100 HA ARG 13 HA ARG 13 8.053 -4.598 8.855 101 HB2 ARG 13 HB2 ARG 13 9.779 -2.225 9.587 102 HB3 ARG 13 HB3 ARG 13 8.032 -2.327 9.762 103 HG2 ARG 13 HG2 ARG 13 9.795 -4.313 11.129 104 HG3 ARG 13 HG3 ARG 13 9.547 -2.708 11.820 105 HD2 ARG 13 HD2 ARG 13 7.253 -3.061 12.108 106 HD3 ARG 13 HD3 ARG 13 7.232 -4.420 10.985 107 HE ARG 13 HE ARG 13 8.879 -5.210 13.027 108 HH11 ARG 13 HH11 ARG 13 5.585 -4.114 12.765 109 HH12 ARG 13 HH12 ARG 13 5.034 -5.033 14.128 110 HH21 ARG 13 HH21 ARG 13 8.166 -6.423 14.822 111 HH22 ARG 13 HH22 ARG 13 6.504 -6.344 15.298 112 H SER 14 H SER 14 10.726 -3.072 7.163 113 HA SER 14 HA SER 14 9.202 -1.396 5.482 114 HB2 SER 14 HB2 SER 14 11.947 -2.613 5.114 115 HB3 SER 14 HB3 SER 14 11.255 -1.405 4.031 116 HG SER 14 HG SER 14 12.592 -0.491 5.675 117 H ASN 15 H ASN 15 10.516 -4.662 4.991 118 HA ASN 15 HA ASN 15 9.418 -4.951 2.378 119 HB2 ASN 15 HB2 ASN 15 11.274 -6.321 2.792 120 HB3 ASN 15 HB3 ASN 15 10.658 -6.843 4.357 121 HD21 ASN 15 HD21 ASN 15 9.012 -8.400 4.433 122 HD22 ASN 15 HD22 ASN 15 8.703 -9.448 3.095 123 H GLN 16 H GLN 16 8.170 -5.322 5.555 124 HA GLN 16 HA GLN 16 6.172 -7.235 5.150 125 HB2 GLN 16 HB2 GLN 16 6.826 -6.377 7.366 126 HB3 GLN 16 HB3 GLN 16 6.102 -4.823 6.972 127 HG2 GLN 16 HG2 GLN 16 4.314 -5.641 8.028 128 HG3 GLN 16 HG3 GLN 16 4.021 -6.491 6.512 129 HE21 GLN 16 HE21 GLN 16 4.135 -6.874 9.741 130 HE22 GLN 16 HE22 GLN 16 4.510 -8.557 9.835 131 H ALA 17 H ALA 17 5.839 -3.681 5.097 132 HA ALA 17 HA ALA 17 3.216 -3.526 4.257 133 HB1 ALA 17 HB1 ALA 17 5.392 -1.638 3.381 134 HB2 ALA 17 HB2 ALA 17 3.673 -1.288 3.565 135 HB3 ALA 17 HB3 ALA 17 4.661 -1.623 4.986 136 H GLU 18 H GLU 18 6.142 -3.796 2.269 137 HA GLU 18 HA GLU 18 5.037 -3.503 -0.246 138 HB2 GLU 18 HB2 GLU 18 7.425 -3.652 0.047 139 HB3 GLU 18 HB3 GLU 18 7.293 -5.294 0.661 140 HG2 GLU 18 HG2 GLU 18 6.412 -5.985 -1.560 141 HG3 GLU 18 HG3 GLU 18 6.752 -4.357 -2.144 142 H ASN 19 H ASN 19 5.374 -6.491 1.654 143 HA ASN 19 HA ASN 19 4.152 -8.179 -0.254 144 HB2 ASN 19 HB2 ASN 19 4.735 -8.407 2.682 145 HB3 ASN 19 HB3 ASN 19 3.763 -9.636 1.878 146 HD21 ASN 19 HD21 ASN 19 6.878 -8.008 1.846 147 HD22 ASN 19 HD22 ASN 19 7.752 -9.299 1.103 148 H ILE 20 H ILE 20 2.888 -6.349 2.487 149 HA ILE 20 HA ILE 20 0.298 -7.399 2.537 150 HB ILE 20 HB ILE 20 1.189 -4.594 3.217 151 HG12 ILE 20 HG12 ILE 20 0.623 -6.790 5.184 152 HG13 ILE 20 HG13 ILE 20 2.200 -6.680 4.411 153 HG21 ILE 20 HG21 ILE 20 -1.197 -4.645 2.893 154 HG22 ILE 20 HG22 ILE 20 -1.340 -6.082 3.906 155 HG23 ILE 20 HG23 ILE 20 -0.851 -4.546 4.620 156 HD11 ILE 20 HD11 ILE 20 1.212 -4.179 5.579 157 HD12 ILE 20 HD12 ILE 20 1.552 -5.473 6.729 158 HD13 ILE 20 HD13 ILE 20 2.815 -4.910 5.635 159 H ILE 21 H ILE 21 1.439 -4.407 0.963 160 HA ILE 21 HA ILE 21 -0.898 -3.648 -0.278 161 HB ILE 21 HB ILE 21 1.899 -3.398 -1.391 162 HG12 ILE 21 HG12 ILE 21 0.280 -1.391 0.188 163 HG13 ILE 21 HG13 ILE 21 1.502 -2.438 0.900 164 HG21 ILE 21 HG21 ILE 21 0.735 -2.770 -3.223 165 HG22 ILE 21 HG22 ILE 21 -0.728 -2.415 -2.306 166 HG23 ILE 21 HG23 ILE 21 0.597 -1.251 -2.339 167 HD11 ILE 21 HD11 ILE 21 2.454 -0.283 0.508 168 HD12 ILE 21 HD12 ILE 21 3.173 -1.427 -0.626 169 HD13 ILE 21 HD13 ILE 21 1.928 -0.305 -1.175 170 H THR 22 H THR 22 1.545 -5.933 -1.442 171 HA THR 22 HA THR 22 0.474 -6.413 -3.978 172 HB THR 22 HB THR 22 1.785 -8.602 -2.394 173 HG1 THR 22 HG1 THR 22 2.897 -6.162 -3.266 174 HG21 THR 22 HG21 THR 22 1.074 -8.209 -5.102 175 HG22 THR 22 HG22 THR 22 1.970 -9.556 -4.399 176 HG23 THR 22 HG23 THR 22 2.833 -8.147 -5.015 177 H ASP 23 H ASP 23 -0.457 -7.603 -0.836 178 HA ASP 23 HA ASP 23 -1.956 -9.842 -1.590 179 HB2 ASP 23 HB2 ASP 23 -1.294 -8.992 0.770 180 HB3 ASP 23 HB3 ASP 23 -2.779 -8.048 0.678 181 H LEU 24 H LEU 24 -3.330 -6.698 -0.617 182 HA LEU 24 HA LEU 24 -5.893 -7.087 -1.508 183 HB2 LEU 24 HB2 LEU 24 -4.274 -4.547 -1.509 184 HB3 LEU 24 HB3 LEU 24 -6.018 -4.608 -1.753 185 HG LEU 24 HG LEU 24 -4.494 -5.313 0.750 186 HD11 LEU 24 HD11 LEU 24 -6.254 -3.058 -0.105 187 HD12 LEU 24 HD12 LEU 24 -4.716 -3.019 0.754 188 HD13 LEU 24 HD13 LEU 24 -6.181 -3.525 1.594 189 HD21 LEU 24 HD21 LEU 24 -7.380 -5.739 0.020 190 HD22 LEU 24 HD22 LEU 24 -6.828 -5.629 1.692 191 HD23 LEU 24 HD23 LEU 24 -6.221 -6.913 0.645 192 H LEU 25 H LEU 25 -3.063 -6.187 -3.376 193 HA LEU 25 HA LEU 25 -4.268 -5.349 -5.737 194 HB2 LEU 25 HB2 LEU 25 -1.651 -6.369 -4.926 195 HB3 LEU 25 HB3 LEU 25 -2.052 -6.709 -6.607 196 HG LEU 25 HG LEU 25 -0.722 -4.626 -6.241 197 HD11 LEU 25 HD11 LEU 25 -1.698 -4.557 -8.294 198 HD12 LEU 25 HD12 LEU 25 -2.523 -3.188 -7.548 199 HD13 LEU 25 HD13 LEU 25 -3.329 -4.753 -7.651 200 HD21 LEU 25 HD21 LEU 25 -3.090 -3.106 -5.424 201 HD22 LEU 25 HD22 LEU 25 -1.405 -2.943 -4.927 202 HD23 LEU 25 HD23 LEU 25 -2.433 -4.163 -4.174 203 H ASP 26 H ASP 26 -3.188 -8.632 -4.866 204 HA ASP 26 HA ASP 26 -4.137 -9.891 -7.191 205 HB2 ASP 26 HB2 ASP 26 -2.512 -10.893 -5.592 206 HB3 ASP 26 HB3 ASP 26 -3.826 -11.111 -4.441 207 H ASP 27 H ASP 27 -5.651 -9.332 -4.044 208 HA ASP 27 HA ASP 27 -7.988 -10.819 -4.472 209 HB2 ASP 27 HB2 ASP 27 -7.360 -8.454 -2.718 210 HB3 ASP 27 HB3 ASP 27 -8.970 -9.166 -2.757 211 H LEU 28 H LEU 28 -7.314 -7.376 -5.043 212 HA LEU 28 HA LEU 28 -9.893 -6.785 -6.072 213 HB2 LEU 28 HB2 LEU 28 -7.344 -5.408 -5.727 214 HB3 LEU 28 HB3 LEU 28 -8.218 -4.906 -7.173 215 HG LEU 28 HG LEU 28 -9.261 -4.803 -4.342 216 HD11 LEU 28 HD11 LEU 28 -8.840 -2.414 -6.065 217 HD12 LEU 28 HD12 LEU 28 -7.445 -3.142 -5.269 218 HD13 LEU 28 HD13 LEU 28 -8.805 -2.563 -4.307 219 HD21 LEU 28 HD21 LEU 28 -11.104 -5.210 -5.779 220 HD22 LEU 28 HD22 LEU 28 -10.505 -4.068 -6.984 221 HD23 LEU 28 HD23 LEU 28 -11.103 -3.480 -5.432 222 H LYS 29 H LYS 29 -7.039 -8.168 -7.433 223 HA LYS 29 HA LYS 29 -7.182 -7.559 -10.101 224 HB2 LYS 29 HB2 LYS 29 -5.498 -9.049 -8.931 225 HB3 LYS 29 HB3 LYS 29 -6.672 -10.352 -9.074 226 HG2 LYS 29 HG2 LYS 29 -6.646 -9.775 -11.596 227 HG3 LYS 29 HG3 LYS 29 -5.128 -8.956 -11.219 228 HD2 LYS 29 HD2 LYS 29 -5.666 -11.810 -10.433 229 HD3 LYS 29 HD3 LYS 29 -4.963 -11.372 -11.992 230 HE2 LYS 29 HE2 LYS 29 -3.749 -10.257 -9.512 231 HE3 LYS 29 HE3 LYS 29 -3.449 -11.947 -9.909 232 HZ1 LYS 29 HZ1 LYS 29 -2.989 -10.737 -12.259 233 HZ2 LYS 29 HZ2 LYS 29 -1.789 -11.105 -11.126 234 HZ3 LYS 29 HZ3 LYS 29 -2.454 -9.551 -11.179 235 H THR 30 H THR 30 -8.956 -10.153 -8.431 236 HA THR 30 HA THR 30 -10.568 -10.610 -10.821 237 HB THR 30 HB THR 30 -11.637 -12.389 -9.252 238 HG1 THR 30 HG1 THR 30 -10.290 -11.313 -7.444 239 HG21 THR 30 HG21 THR 30 -9.222 -12.367 -10.841 240 HG22 THR 30 HG22 THR 30 -10.461 -13.613 -10.702 241 HG23 THR 30 HG23 THR 30 -9.126 -13.565 -9.552 242 H ASP 31 H ASP 31 -11.301 -8.247 -10.310 243 HA ASP 31 HA ASP 31 -13.992 -8.420 -9.386 244 HB2 ASP 31 HB2 ASP 31 -12.538 -8.174 -7.261 245 HB3 ASP 31 HB3 ASP 31 -12.293 -6.514 -7.796 246 H LEU 32 H LEU 32 -15.171 -6.397 -9.682 247 HA LEU 32 HA LEU 32 -13.942 -4.787 -11.803 248 HB2 LEU 32 HB2 LEU 32 -16.242 -6.051 -11.929 249 HB3 LEU 32 HB3 LEU 32 -16.832 -4.616 -11.092 250 HG LEU 32 HG LEU 32 -15.901 -3.251 -12.983 251 HD11 LEU 32 HD11 LEU 32 -15.673 -5.926 -14.351 252 HD12 LEU 32 HD12 LEU 32 -14.309 -4.963 -13.786 253 HD13 LEU 32 HD13 LEU 32 -15.359 -4.341 -15.059 254 HD21 LEU 32 HD21 LEU 32 -17.906 -5.241 -13.990 255 HD22 LEU 32 HD22 LEU 32 -17.815 -3.505 -14.290 256 HD23 LEU 32 HD23 LEU 32 -18.310 -4.101 -12.705 257 H ASP 33 H ASP 33 -14.471 -4.646 -8.546 258 HA ASP 33 HA ASP 33 -15.246 -1.876 -8.345 259 HB2 ASP 33 HB2 ASP 33 -14.227 -3.813 -6.255 260 HB3 ASP 33 HB3 ASP 33 -14.838 -2.195 -5.917 261 H ASN 34 H ASN 34 -13.877 -0.334 -7.073 262 HA ASN 34 HA ASN 34 -12.005 0.950 -6.938 263 HB2 ASN 34 HB2 ASN 34 -10.846 -1.819 -6.698 264 HB3 ASN 34 HB3 ASN 34 -9.821 -0.387 -6.640 265 HD21 ASN 34 HD21 ASN 34 -13.014 -1.173 -5.307 266 HD22 ASN 34 HD22 ASN 34 -12.616 -0.775 -3.673 267 H GLU 35 H GLU 35 -12.555 1.572 -9.184 268 HA GLU 35 HA GLU 35 -10.946 0.417 -11.296 269 HB2 GLU 35 HB2 GLU 35 -13.356 1.874 -11.171 270 HB3 GLU 35 HB3 GLU 35 -12.216 2.890 -12.042 271 HG2 GLU 35 HG2 GLU 35 -11.863 0.357 -13.124 272 HG3 GLU 35 HG3 GLU 35 -13.604 0.515 -12.905 273 H SER 36 H SER 36 -8.933 1.016 -11.700 274 HA SER 36 HA SER 36 -7.068 2.299 -11.979 275 HB2 SER 36 HB2 SER 36 -8.381 4.857 -11.254 276 HB3 SER 36 HB3 SER 36 -7.326 4.476 -12.614 277 HG SER 36 HG SER 36 -9.036 3.620 -13.704 278 H LEU 37 H LEU 37 -8.661 1.797 -9.211 279 HA LEU 37 HA LEU 37 -7.359 3.548 -7.390 280 HB2 LEU 37 HB2 LEU 37 -9.482 1.966 -7.173 281 HB3 LEU 37 HB3 LEU 37 -8.277 0.866 -6.507 282 HG LEU 37 HG LEU 37 -9.310 1.972 -4.680 283 HD11 LEU 37 HD11 LEU 37 -6.818 3.589 -4.961 284 HD12 LEU 37 HD12 LEU 37 -6.714 1.832 -4.874 285 HD13 LEU 37 HD13 LEU 37 -7.456 2.736 -3.555 286 HD21 LEU 37 HD21 LEU 37 -8.570 4.663 -5.777 287 HD22 LEU 37 HD22 LEU 37 -9.721 4.259 -4.503 288 HD23 LEU 37 HD23 LEU 37 -10.106 3.898 -6.186 289 H LYS 38 H LYS 38 -6.735 0.228 -8.458 290 HA LYS 38 HA LYS 38 -4.662 -0.454 -6.771 291 HB2 LYS 38 HB2 LYS 38 -4.721 -1.134 -9.711 292 HB3 LYS 38 HB3 LYS 38 -3.996 -2.068 -8.409 293 HG2 LYS 38 HG2 LYS 38 -5.879 -3.260 -8.478 294 HG3 LYS 38 HG3 LYS 38 -6.595 -1.906 -7.601 295 HD2 LYS 38 HD2 LYS 38 -8.069 -2.153 -9.358 296 HD3 LYS 38 HD3 LYS 38 -6.970 -0.925 -9.990 297 HE2 LYS 38 HE2 LYS 38 -6.134 -3.683 -10.519 298 HE3 LYS 38 HE3 LYS 38 -7.663 -3.235 -11.274 299 HZ1 LYS 38 HZ1 LYS 38 -4.984 -2.359 -11.884 300 HZ2 LYS 38 HZ2 LYS 38 -6.114 -1.103 -11.809 301 HZ3 LYS 38 HZ3 LYS 38 -6.360 -2.399 -12.867 302 H LYS 39 H LYS 39 -4.657 1.735 -9.480 303 HA LYS 39 HA LYS 39 -1.974 1.894 -10.111 304 HB2 LYS 39 HB2 LYS 39 -2.488 3.826 -11.228 305 HB3 LYS 39 HB3 LYS 39 -4.111 3.187 -11.001 306 HG2 LYS 39 HG2 LYS 39 -4.250 4.596 -8.917 307 HG3 LYS 39 HG3 LYS 39 -2.751 5.365 -9.442 308 HD2 LYS 39 HD2 LYS 39 -5.275 5.236 -11.089 309 HD3 LYS 39 HD3 LYS 39 -4.798 6.615 -10.096 310 HE2 LYS 39 HE2 LYS 39 -2.714 5.676 -11.924 311 HE3 LYS 39 HE3 LYS 39 -4.165 6.268 -12.732 312 HZ1 LYS 39 HZ1 LYS 39 -3.239 7.947 -10.578 313 HZ2 LYS 39 HZ2 LYS 39 -3.727 8.365 -12.142 314 HZ3 LYS 39 HZ3 LYS 39 -2.149 7.823 -11.866 315 H VAL 40 H VAL 40 -3.696 3.294 -7.381 316 HA VAL 40 HA VAL 40 -1.563 4.934 -6.467 317 HB VAL 40 HB VAL 40 -4.012 3.853 -5.083 318 HG11 VAL 40 HG11 VAL 40 -1.907 5.716 -3.995 319 HG12 VAL 40 HG12 VAL 40 -3.484 5.441 -3.254 320 HG13 VAL 40 HG13 VAL 40 -2.326 4.117 -3.383 321 HG21 VAL 40 HG21 VAL 40 -4.956 5.531 -6.206 322 HG22 VAL 40 HG22 VAL 40 -4.076 6.619 -5.132 323 HG23 VAL 40 HG23 VAL 40 -3.393 6.182 -6.699 324 H LEU 41 H LEU 41 -2.776 1.764 -5.382 325 HA LEU 41 HA LEU 41 -0.840 1.336 -3.399 326 HB2 LEU 41 HB2 LEU 41 -2.085 -0.866 -5.012 327 HB3 LEU 41 HB3 LEU 41 -1.586 -0.889 -3.322 328 HG LEU 41 HG LEU 41 -3.976 0.545 -4.475 329 HD11 LEU 41 HD11 LEU 41 -3.666 -1.894 -2.742 330 HD12 LEU 41 HD12 LEU 41 -4.420 -1.781 -4.332 331 HD13 LEU 41 HD13 LEU 41 -5.188 -1.025 -2.935 332 HD21 LEU 41 HD21 LEU 41 -4.494 1.232 -2.234 333 HD22 LEU 41 HD22 LEU 41 -2.870 1.789 -2.631 334 HD23 LEU 41 HD23 LEU 41 -3.089 0.377 -1.598 335 H GLU 42 H GLU 42 -0.968 0.108 -6.745 336 HA GLU 42 HA GLU 42 1.467 -1.231 -6.751 337 HB2 GLU 42 HB2 GLU 42 -0.153 0.075 -8.913 338 HB3 GLU 42 HB3 GLU 42 1.409 -0.643 -9.282 339 HG2 GLU 42 HG2 GLU 42 0.136 -2.606 -7.832 340 HG3 GLU 42 HG3 GLU 42 -1.157 -1.906 -8.804 341 H ASN 43 H ASN 43 0.814 2.075 -7.922 342 HA ASN 43 HA ASN 43 3.385 2.814 -8.579 343 HB2 ASN 43 HB2 ASN 43 1.054 4.400 -7.522 344 HB3 ASN 43 HB3 ASN 43 2.586 5.178 -7.908 345 HD21 ASN 43 HD21 ASN 43 0.940 6.281 -9.359 346 HD22 ASN 43 HD22 ASN 43 0.761 5.620 -10.946 347 H TYR 44 H TYR 44 1.804 3.746 -5.519 348 HA TYR 44 HA TYR 44 4.041 4.669 -4.201 349 HB2 TYR 44 HB2 TYR 44 1.459 3.478 -3.271 350 HB3 TYR 44 HB3 TYR 44 2.724 3.804 -2.091 351 HD1 TYR 44 HD1 TYR 44 3.863 6.282 -2.662 352 HD2 TYR 44 HD2 TYR 44 -0.172 5.097 -3.307 353 HE1 TYR 44 HE1 TYR 44 3.161 8.637 -2.552 354 HE2 TYR 44 HE2 TYR 44 -0.886 7.449 -3.200 355 HH TYR 44 HH TYR 44 1.424 10.067 -3.081 356 H LEU 45 H LEU 45 2.814 1.357 -4.394 357 HA LEU 45 HA LEU 45 4.525 0.138 -2.573 358 HB2 LEU 45 HB2 LEU 45 2.756 -1.155 -3.381 359 HB3 LEU 45 HB3 LEU 45 3.168 -0.829 -5.063 360 HG LEU 45 HG LEU 45 5.203 -2.248 -4.761 361 HD11 LEU 45 HD11 LEU 45 5.669 -2.318 -2.503 362 HD12 LEU 45 HD12 LEU 45 4.912 -3.888 -2.769 363 HD13 LEU 45 HD13 LEU 45 3.982 -2.571 -2.053 364 HD21 LEU 45 HD21 LEU 45 2.664 -2.957 -5.385 365 HD22 LEU 45 HD22 LEU 45 2.999 -4.057 -4.047 366 HD23 LEU 45 HD23 LEU 45 4.050 -4.047 -5.464 367 H GLU 46 H GLU 46 5.018 0.888 -5.993 368 HA GLU 46 HA GLU 46 7.459 -0.438 -6.343 369 HB2 GLU 46 HB2 GLU 46 6.210 0.384 -8.242 370 HB3 GLU 46 HB3 GLU 46 6.371 2.042 -7.682 371 HG2 GLU 46 HG2 GLU 46 8.840 0.477 -8.212 372 HG3 GLU 46 HG3 GLU 46 7.906 1.079 -9.580 373 H GLU 47 H GLU 47 6.687 2.645 -4.897 374 HA GLU 47 HA GLU 47 9.218 3.835 -4.933 375 HB2 GLU 47 HB2 GLU 47 7.125 4.100 -2.769 376 HB3 GLU 47 HB3 GLU 47 8.420 5.236 -3.119 377 HG2 GLU 47 HG2 GLU 47 6.380 4.551 -5.196 378 HG3 GLU 47 HG3 GLU 47 6.044 5.755 -3.952 379 H LEU 48 H LEU 48 7.816 1.440 -2.784 380 HA LEU 48 HA LEU 48 9.695 1.535 -0.715 381 HB2 LEU 48 HB2 LEU 48 8.017 -0.719 -1.789 382 HB3 LEU 48 HB3 LEU 48 9.031 -0.879 -0.356 383 HG LEU 48 HG LEU 48 7.214 1.402 -0.225 384 HD11 LEU 48 HD11 LEU 48 6.045 -0.614 -1.530 385 HD12 LEU 48 HD12 LEU 48 5.188 0.408 -0.378 386 HD13 LEU 48 HD13 LEU 48 5.796 -1.168 0.125 387 HD21 LEU 48 HD21 LEU 48 6.964 0.711 1.993 388 HD22 LEU 48 HD22 LEU 48 8.628 0.283 1.596 389 HD23 LEU 48 HD23 LEU 48 7.379 -0.962 1.616 390 H LYS 49 H LYS 49 9.819 0.061 -3.877 391 HA LYS 49 HA LYS 49 12.129 -1.547 -3.346 392 HB2 LYS 49 HB2 LYS 49 10.747 -0.706 -5.892 393 HB3 LYS 49 HB3 LYS 49 12.189 -1.714 -5.883 394 HG2 LYS 49 HG2 LYS 49 10.463 -3.248 -6.035 395 HG3 LYS 49 HG3 LYS 49 10.851 -3.249 -4.314 396 HD2 LYS 49 HD2 LYS 49 8.851 -2.397 -3.742 397 HD3 LYS 49 HD3 LYS 49 8.837 -1.268 -5.100 398 HE2 LYS 49 HE2 LYS 49 7.024 -2.924 -5.240 399 HE3 LYS 49 HE3 LYS 49 8.139 -3.038 -6.600 400 HZ1 LYS 49 HZ1 LYS 49 7.371 -5.069 -4.894 401 HZ2 LYS 49 HZ2 LYS 49 8.979 -4.728 -4.490 402 HZ3 LYS 49 HZ3 LYS 49 8.574 -5.133 -6.082 403 H GLN 50 H GLN 50 11.545 1.707 -4.439 404 HA GLN 50 HA GLN 50 14.210 2.140 -5.416 405 HB2 GLN 50 HB2 GLN 50 12.180 4.241 -4.659 406 HB3 GLN 50 HB3 GLN 50 13.542 4.414 -5.758 407 HG2 GLN 50 HG2 GLN 50 10.984 2.911 -6.182 408 HG3 GLN 50 HG3 GLN 50 11.640 4.254 -7.117 409 HE21 GLN 50 HE21 GLN 50 11.094 1.056 -7.196 410 HE22 GLN 50 HE22 GLN 50 12.334 0.558 -8.290 411 H LYS 51 H LYS 51 15.760 3.583 -4.487 412 HA LYS 51 HA LYS 51 15.773 3.447 -1.566 413 HB2 LYS 51 HB2 LYS 51 18.186 4.075 -1.820 414 HB3 LYS 51 HB3 LYS 51 17.747 2.552 -2.581 415 HG2 LYS 51 HG2 LYS 51 17.874 3.462 -4.734 416 HG3 LYS 51 HG3 LYS 51 17.841 5.119 -4.128 417 HD2 LYS 51 HD2 LYS 51 20.074 4.918 -4.568 418 HD3 LYS 51 HD3 LYS 51 20.051 4.333 -2.903 419 HE2 LYS 51 HE2 LYS 51 19.749 2.468 -5.237 420 HE3 LYS 51 HE3 LYS 51 21.336 2.959 -4.646 421 HZ1 LYS 51 HZ1 LYS 51 20.124 2.220 -2.378 422 HZ2 LYS 51 HZ2 LYS 51 21.092 1.194 -3.311 423 HZ3 LYS 51 HZ3 LYS 51 19.410 1.148 -3.475 424 H SER 52 H SER 52 14.473 5.503 -3.559 425 HA SER 52 HA SER 52 15.693 7.977 -2.674 426 HB2 SER 52 HB2 SER 52 14.891 7.971 -4.930 427 HB3 SER 52 HB3 SER 52 13.308 7.374 -4.432 428 HG SER 52 HG SER 52 14.407 9.885 -3.689 429 H ALA 53 H ALA 53 12.254 7.076 -2.720 430 HA ALA 53 HA ALA 53 11.696 8.693 -0.429 431 HB1 ALA 53 HB1 ALA 53 9.926 8.596 -1.921 432 HB2 ALA 53 HB2 ALA 53 10.075 6.852 -2.143 433 HB3 ALA 53 HB3 ALA 53 9.414 7.496 -0.640 434 H SER 54 H SER 54 11.364 8.112 1.662 435 HA SER 54 HA SER 54 12.484 5.628 2.543 436 HB2 SER 54 HB2 SER 54 11.034 7.761 4.130 437 HB3 SER 54 HB3 SER 54 12.006 6.454 4.804 438 HG SER 54 HG SER 54 13.732 7.577 4.409 439 H VAL 55 H VAL 55 11.388 4.102 3.953 440 HA VAL 55 HA VAL 55 9.109 2.989 2.865 441 HB VAL 55 HB VAL 55 10.504 2.677 5.473 442 HG11 VAL 55 HG11 VAL 55 8.729 0.891 6.018 443 HG12 VAL 55 HG12 VAL 55 8.363 2.578 6.381 444 HG13 VAL 55 HG13 VAL 55 7.683 1.817 4.943 445 HG21 VAL 55 HG21 VAL 55 11.361 0.940 4.388 446 HG22 VAL 55 HG22 VAL 55 9.752 0.245 4.191 447 HG23 VAL 55 HG23 VAL 55 10.390 1.351 2.974 448 HA PRO 56 HA PRO 56 6.455 5.051 6.341 449 HB2 PRO 56 HB2 PRO 56 7.635 7.009 7.806 450 HB3 PRO 56 HB3 PRO 56 7.687 5.303 8.264 451 HG2 PRO 56 HG2 PRO 56 9.761 6.955 6.876 452 HG3 PRO 56 HG3 PRO 56 9.963 5.770 8.180 453 HD2 PRO 56 HD2 PRO 56 10.482 5.187 5.586 454 HD3 PRO 56 HD3 PRO 56 9.870 3.978 6.733 455 H LEU 57 H LEU 57 8.579 6.686 4.220 456 HA LEU 57 HA LEU 57 7.169 9.197 4.210 457 HB2 LEU 57 HB2 LEU 57 9.516 8.038 2.869 458 HB3 LEU 57 HB3 LEU 57 8.614 9.216 1.916 459 HG LEU 57 HG LEU 57 9.832 9.705 4.634 460 HD11 LEU 57 HD11 LEU 57 11.606 9.581 3.100 461 HD12 LEU 57 HD12 LEU 57 11.254 11.301 3.263 462 HD13 LEU 57 HD13 LEU 57 10.690 10.416 1.845 463 HD21 LEU 57 HD21 LEU 57 7.909 11.070 4.452 464 HD22 LEU 57 HD22 LEU 57 8.251 11.455 2.765 465 HD23 LEU 57 HD23 LEU 57 9.284 12.098 4.044 466 H ILE 58 H ILE 58 6.970 6.173 2.538 467 HA ILE 58 HA ILE 58 5.235 7.279 0.466 468 HB ILE 58 HB ILE 58 6.202 4.446 0.874 469 HG12 ILE 58 HG12 ILE 58 7.090 5.956 -1.482 470 HG13 ILE 58 HG13 ILE 58 7.666 6.619 0.044 471 HG21 ILE 58 HG21 ILE 58 5.400 4.929 -1.789 472 HG22 ILE 58 HG22 ILE 58 4.671 3.839 -0.610 473 HG23 ILE 58 HG23 ILE 58 4.104 5.503 -0.741 474 HD11 ILE 58 HD11 ILE 58 9.275 5.072 -0.877 475 HD12 ILE 58 HD12 ILE 58 8.600 4.430 0.623 476 HD13 ILE 58 HD13 ILE 58 8.054 3.800 -0.932 477 H LEU 59 H LEU 59 5.124 5.045 3.202 478 HA LEU 59 HA LEU 59 2.518 4.101 2.883 479 HB2 LEU 59 HB2 LEU 59 4.149 4.571 5.369 480 HB3 LEU 59 HB3 LEU 59 2.592 3.745 5.368 481 HG LEU 59 HG LEU 59 5.049 2.803 3.891 482 HD11 LEU 59 HD11 LEU 59 4.023 2.303 6.627 483 HD12 LEU 59 HD12 LEU 59 5.680 2.342 6.024 484 HD13 LEU 59 HD13 LEU 59 4.668 0.929 5.731 485 HD21 LEU 59 HD21 LEU 59 2.339 1.561 4.342 486 HD22 LEU 59 HD22 LEU 59 3.737 0.702 3.694 487 HD23 LEU 59 HD23 LEU 59 3.043 2.057 2.803 488 H SER 60 H SER 60 3.726 7.062 4.349 489 HA SER 60 HA SER 60 1.316 7.889 5.558 490 HB2 SER 60 HB2 SER 60 3.581 8.844 6.045 491 HB3 SER 60 HB3 SER 60 3.519 9.668 4.488 492 HG SER 60 HG SER 60 2.514 10.480 6.789 493 H ARG 61 H ARG 61 2.771 8.749 2.425 494 HA ARG 61 HA ARG 61 0.616 10.381 1.582 495 HB2 ARG 61 HB2 ARG 61 3.020 9.183 0.311 496 HB3 ARG 61 HB3 ARG 61 1.718 9.687 -0.758 497 HG2 ARG 61 HG2 ARG 61 3.234 11.496 -0.602 498 HG3 ARG 61 HG3 ARG 61 1.810 11.935 0.344 499 HD2 ARG 61 HD2 ARG 61 2.986 11.228 2.390 500 HD3 ARG 61 HD3 ARG 61 4.414 10.862 1.424 501 HE ARG 61 HE ARG 61 3.655 13.520 0.949 502 HH11 ARG 61 HH11 ARG 61 4.970 11.528 3.484 503 HH12 ARG 61 HH12 ARG 61 5.836 12.828 4.234 504 HH21 ARG 61 HH21 ARG 61 4.790 15.239 1.928 505 HH22 ARG 61 HH22 ARG 61 5.732 14.938 3.349 506 H MET 62 H MET 62 1.367 6.963 1.177 507 HA MET 62 HA MET 62 -0.457 6.247 -0.766 508 HB2 MET 62 HB2 MET 62 1.299 4.852 0.631 509 HB3 MET 62 HB3 MET 62 -0.114 4.461 1.603 510 HG2 MET 62 HG2 MET 62 -1.245 3.643 -0.432 511 HG3 MET 62 HG3 MET 62 0.234 3.952 -1.341 512 HE1 MET 62 HE1 MET 62 -1.554 1.570 1.268 513 HE2 MET 62 HE2 MET 62 -0.145 0.843 2.044 514 HE3 MET 62 HE3 MET 62 -0.461 2.569 2.226 515 H ASN 63 H ASN 63 -1.019 6.003 2.753 516 HA ASN 63 HA ASN 63 -3.719 5.396 2.648 517 HB2 ASN 63 HB2 ASN 63 -2.497 7.126 4.797 518 HB3 ASN 63 HB3 ASN 63 -3.827 5.982 4.950 519 HD21 ASN 63 HD21 ASN 63 -1.455 6.066 6.524 520 HD22 ASN 63 HD22 ASN 63 -0.621 4.572 6.279 521 H LEU 64 H LEU 64 -2.136 8.557 2.661 522 HA LEU 64 HA LEU 64 -4.468 10.122 2.859 523 HB2 LEU 64 HB2 LEU 64 -1.796 10.744 1.615 524 HB3 LEU 64 HB3 LEU 64 -3.060 11.936 1.911 525 HG LEU 64 HG LEU 64 -1.916 10.318 4.161 526 HD11 LEU 64 HD11 LEU 64 -0.755 12.932 4.003 527 HD12 LEU 64 HD12 LEU 64 -0.397 12.025 2.533 528 HD13 LEU 64 HD13 LEU 64 0.039 11.360 4.107 529 HD21 LEU 64 HD21 LEU 64 -2.519 12.448 5.378 530 HD22 LEU 64 HD22 LEU 64 -3.873 11.506 4.752 531 HD23 LEU 64 HD23 LEU 64 -3.339 12.956 3.901 532 H ASP 65 H ASP 65 -3.146 8.312 0.269 533 HA ASP 65 HA ASP 65 -4.674 9.777 -1.746 534 HB2 ASP 65 HB2 ASP 65 -2.226 8.750 -1.955 535 HB3 ASP 65 HB3 ASP 65 -3.137 7.318 -2.426 536 H ILE 66 H ILE 66 -4.460 6.559 -0.289 537 HA ILE 66 HA ILE 66 -6.516 5.379 -1.832 538 HB ILE 66 HB ILE 66 -5.587 4.615 0.939 539 HG12 ILE 66 HG12 ILE 66 -4.724 3.419 -1.694 540 HG13 ILE 66 HG13 ILE 66 -3.832 4.713 -0.901 541 HG21 ILE 66 HG21 ILE 66 -6.441 2.389 -0.578 542 HG22 ILE 66 HG22 ILE 66 -7.163 3.055 0.885 543 HG23 ILE 66 HG23 ILE 66 -7.696 3.622 -0.697 544 HD11 ILE 66 HD11 ILE 66 -4.402 2.012 0.298 545 HD12 ILE 66 HD12 ILE 66 -2.883 2.501 -0.455 546 HD13 ILE 66 HD13 ILE 66 -3.434 3.299 1.017 547 H SER 67 H SER 67 -6.578 6.424 1.583 548 HA SER 67 HA SER 67 -9.264 6.109 2.071 549 HB2 SER 67 HB2 SER 67 -7.363 6.857 3.661 550 HB3 SER 67 HB3 SER 67 -7.779 8.493 3.152 551 HG SER 67 HG SER 67 -8.897 7.256 5.068 552 H LYS 68 H LYS 68 -7.655 9.038 0.847 553 HA LYS 68 HA LYS 68 -10.004 10.563 0.542 554 HB2 LYS 68 HB2 LYS 68 -8.626 12.187 -0.226 555 HB3 LYS 68 HB3 LYS 68 -7.365 11.116 0.369 556 HG2 LYS 68 HG2 LYS 68 -7.233 10.129 -1.922 557 HG3 LYS 68 HG3 LYS 68 -8.343 11.390 -2.463 558 HD2 LYS 68 HD2 LYS 68 -6.069 12.405 -0.932 559 HD3 LYS 68 HD3 LYS 68 -5.606 11.581 -2.423 560 HE2 LYS 68 HE2 LYS 68 -6.791 13.074 -3.758 561 HE3 LYS 68 HE3 LYS 68 -7.801 13.620 -2.420 562 HZ1 LYS 68 HZ1 LYS 68 -4.974 14.114 -2.080 563 HZ2 LYS 68 HZ2 LYS 68 -6.294 15.133 -1.796 564 HZ3 LYS 68 HZ3 LYS 68 -5.681 14.960 -3.363 565 H ALA 69 H ALA 69 -8.423 8.218 -1.513 566 HA ALA 69 HA ALA 69 -9.793 8.841 -3.914 567 HB1 ALA 69 HB1 ALA 69 -8.114 6.617 -2.930 568 HB2 ALA 69 HB2 ALA 69 -9.194 6.258 -4.277 569 HB3 ALA 69 HB3 ALA 69 -8.004 7.552 -4.421 570 H ILE 70 H ILE 70 -10.737 7.214 -1.043 571 HA ILE 70 HA ILE 70 -12.710 5.483 -2.064 572 HB ILE 70 HB ILE 70 -12.752 6.860 0.621 573 HG12 ILE 70 HG12 ILE 70 -11.372 4.310 -0.243 574 HG13 ILE 70 HG13 ILE 70 -10.592 5.789 0.308 575 HG21 ILE 70 HG21 ILE 70 -14.833 5.726 -0.023 576 HG22 ILE 70 HG22 ILE 70 -13.930 4.233 -0.272 577 HG23 ILE 70 HG23 ILE 70 -14.045 4.936 1.341 578 HD11 ILE 70 HD11 ILE 70 -10.534 4.240 2.096 579 HD12 ILE 70 HD12 ILE 70 -11.744 5.457 2.507 580 HD13 ILE 70 HD13 ILE 70 -12.250 3.873 1.921 581 H ARG 71 H ARG 71 -13.311 8.512 -0.280 582 HA ARG 71 HA ARG 71 -15.971 8.783 -1.085 583 HB2 ARG 71 HB2 ARG 71 -14.747 9.997 0.799 584 HB3 ARG 71 HB3 ARG 71 -14.160 11.103 -0.436 585 HG2 ARG 71 HG2 ARG 71 -16.590 11.493 -1.041 586 HG3 ARG 71 HG3 ARG 71 -16.988 10.647 0.455 587 HD2 ARG 71 HD2 ARG 71 -16.206 12.332 1.779 588 HD3 ARG 71 HD3 ARG 71 -14.993 12.838 0.603 589 HE ARG 71 HE ARG 71 -17.644 13.361 -0.305 590 HH11 ARG 71 HH11 ARG 71 -15.115 14.535 1.779 591 HH12 ARG 71 HH12 ARG 71 -15.639 16.185 1.703 592 HH21 ARG 71 HH21 ARG 71 -18.345 15.529 -0.411 593 HH22 ARG 71 HH22 ARG 71 -17.479 16.748 0.459 594 H ASN 72 H ASN 72 -13.067 10.404 -2.364 595 HA ASN 72 HA ASN 72 -14.240 11.919 -4.347 596 HB2 ASN 72 HB2 ASN 72 -11.548 10.621 -4.097 597 HB3 ASN 72 HB3 ASN 72 -11.979 11.459 -5.585 598 HD21 ASN 72 HD21 ASN 72 -11.913 11.895 -2.074 599 HD22 ASN 72 HD22 ASN 72 -11.499 13.572 -2.116 600 H ASP 73 H ASP 73 -12.434 8.993 -5.220 601 HA ASP 73 HA ASP 73 -13.612 8.600 -7.684 602 HB2 ASP 73 HB2 ASP 73 -12.711 6.327 -5.916 603 HB3 ASP 73 HB3 ASP 73 -12.668 6.416 -7.675 604 H GLY 74 H GLY 74 -14.418 6.795 -4.706 605 HA2 GLY 74 HA2 GLY 74 -16.802 6.673 -4.086 606 HA3 GLY 74 HA3 GLY 74 -17.144 6.466 -5.798 607 H VAL 75 H VAL 75 -14.464 4.901 -4.177 608 HA VAL 75 HA VAL 75 -15.527 2.312 -4.947 609 HB VAL 75 HB VAL 75 -13.390 1.402 -4.351 610 HG11 VAL 75 HG11 VAL 75 -11.911 2.682 -5.791 611 HG12 VAL 75 HG12 VAL 75 -13.532 2.612 -6.484 612 HG13 VAL 75 HG13 VAL 75 -12.980 4.080 -5.677 613 HG21 VAL 75 HG21 VAL 75 -11.844 3.609 -3.557 614 HG22 VAL 75 HG22 VAL 75 -13.301 3.644 -2.564 615 HG23 VAL 75 HG23 VAL 75 -12.288 2.201 -2.592 616 H THR 76 H THR 76 -14.681 0.575 -3.106 617 HA THR 76 HA THR 76 -15.584 1.404 -0.469 618 HB THR 76 HB THR 76 -16.888 -1.063 -1.514 619 HG1 THR 76 HG1 THR 76 -18.499 0.093 -2.504 620 HG21 THR 76 HG21 THR 76 -17.369 0.992 0.593 621 HG22 THR 76 HG22 THR 76 -17.417 -0.767 0.704 622 HG23 THR 76 HG23 THR 76 -18.748 0.106 -0.056 623 H LEU 77 H LEU 77 -14.457 0.407 1.083 624 HA LEU 77 HA LEU 77 -12.481 -1.552 0.348 625 HB2 LEU 77 HB2 LEU 77 -13.043 -0.858 3.186 626 HB3 LEU 77 HB3 LEU 77 -11.501 -1.144 2.381 627 HG LEU 77 HG LEU 77 -12.322 1.161 1.182 628 HD11 LEU 77 HD11 LEU 77 -13.771 2.317 2.395 629 HD12 LEU 77 HD12 LEU 77 -12.794 2.104 3.846 630 HD13 LEU 77 HD13 LEU 77 -14.000 0.894 3.411 631 HD21 LEU 77 HD21 LEU 77 -10.186 1.352 1.837 632 HD22 LEU 77 HD22 LEU 77 -10.440 0.384 3.289 633 HD23 LEU 77 HD23 LEU 77 -10.865 2.096 3.284 634 H SER 78 H SER 78 -12.382 -3.039 2.757 635 HA SER 78 HA SER 78 -14.893 -4.396 3.122 636 HB2 SER 78 HB2 SER 78 -13.513 -6.619 2.443 637 HB3 SER 78 HB3 SER 78 -14.565 -5.753 1.323 638 HG SER 78 HG SER 78 -11.780 -5.851 1.445 639 H ASP 79 H ASP 79 -14.318 -6.605 4.367 640 HA ASP 79 HA ASP 79 -13.374 -5.903 6.861 641 HB2 ASP 79 HB2 ASP 79 -13.632 -8.567 5.490 642 HB3 ASP 79 HB3 ASP 79 -13.010 -8.450 7.133 643 H TYR 80 H TYR 80 -11.615 -8.244 4.842 644 HA TYR 80 HA TYR 80 -9.189 -8.050 6.151 645 HB2 TYR 80 HB2 TYR 80 -8.190 -9.078 4.194 646 HB3 TYR 80 HB3 TYR 80 -9.769 -9.797 4.487 647 HD1 TYR 80 HD2 TYR 80 -11.723 -9.035 3.069 648 HD2 TYR 80 HD1 TYR 80 -7.690 -8.051 2.135 649 HE1 TYR 80 HE2 TYR 80 -12.389 -8.522 0.758 650 HE2 TYR 80 HE1 TYR 80 -8.346 -7.534 -0.178 651 HH TYR 80 HH TYR 80 -10.023 -7.359 -1.622 652 H GLN 81 H GLN 81 -10.474 -6.068 3.542 653 HA GLN 81 HA GLN 81 -8.146 -4.685 2.852 654 HB2 GLN 81 HB2 GLN 81 -11.035 -4.316 2.486 655 HB3 GLN 81 HB3 GLN 81 -10.120 -2.815 2.500 656 HG2 GLN 81 HG2 GLN 81 -9.051 -5.006 0.833 657 HG3 GLN 81 HG3 GLN 81 -10.547 -4.246 0.293 658 HE21 GLN 81 HE21 GLN 81 -9.460 -3.426 -1.526 659 HE22 GLN 81 HE22 GLN 81 -8.410 -2.060 -1.406 660 H SER 82 H SER 82 -10.807 -3.211 4.697 661 HA SER 82 HA SER 82 -9.401 -1.089 5.734 662 HB2 SER 82 HB2 SER 82 -11.657 -2.613 7.058 663 HB3 SER 82 HB3 SER 82 -11.120 -0.996 7.513 664 HG SER 82 HG SER 82 -11.693 -0.302 5.409 665 H LYS 83 H LYS 83 -9.520 -4.398 6.880 666 HA LYS 83 HA LYS 83 -8.303 -3.969 9.395 667 HB2 LYS 83 HB2 LYS 83 -8.540 -6.391 7.618 668 HB3 LYS 83 HB3 LYS 83 -7.716 -6.449 9.171 669 HG2 LYS 83 HG2 LYS 83 -10.424 -5.289 9.194 670 HG3 LYS 83 HG3 LYS 83 -10.317 -7.014 8.837 671 HD2 LYS 83 HD2 LYS 83 -9.078 -7.391 10.887 672 HD3 LYS 83 HD3 LYS 83 -9.070 -5.659 11.228 673 HE2 LYS 83 HE2 LYS 83 -11.479 -5.658 11.450 674 HE3 LYS 83 HE3 LYS 83 -11.551 -7.358 10.992 675 HZ1 LYS 83 HZ1 LYS 83 -11.493 -7.717 13.181 676 HZ2 LYS 83 HZ2 LYS 83 -10.917 -6.167 13.537 677 HZ3 LYS 83 HZ3 LYS 83 -9.837 -7.383 13.073 678 H LYS 84 H LYS 84 -6.962 -5.002 6.266 679 HA LYS 84 HA LYS 84 -4.288 -5.194 7.116 680 HB2 LYS 84 HB2 LYS 84 -3.788 -5.641 4.930 681 HB3 LYS 84 HB3 LYS 84 -5.524 -5.922 4.879 682 HG2 LYS 84 HG2 LYS 84 -5.376 -4.576 3.078 683 HG3 LYS 84 HG3 LYS 84 -5.501 -3.312 4.305 684 HD2 LYS 84 HD2 LYS 84 -2.883 -3.575 4.363 685 HD3 LYS 84 HD3 LYS 84 -3.131 -4.225 2.742 686 HE2 LYS 84 HE2 LYS 84 -4.671 -2.008 2.628 687 HE3 LYS 84 HE3 LYS 84 -3.422 -1.472 3.752 688 HZ1 LYS 84 HZ1 LYS 84 -3.147 -1.264 1.149 689 HZ2 LYS 84 HZ2 LYS 84 -2.544 -2.834 1.323 690 HZ3 LYS 84 HZ3 LYS 84 -1.826 -1.555 2.166 691 H LEU 85 H LEU 85 -6.272 -2.482 6.459 692 HA LEU 85 HA LEU 85 -4.257 -0.622 5.724 693 HB2 LEU 85 HB2 LEU 85 -7.059 -0.620 6.080 694 HB3 LEU 85 HB3 LEU 85 -6.408 0.655 7.108 695 HG LEU 85 HG LEU 85 -6.066 0.390 4.122 696 HD11 LEU 85 HD11 LEU 85 -8.197 1.368 5.503 697 HD12 LEU 85 HD12 LEU 85 -7.721 1.878 3.883 698 HD13 LEU 85 HD13 LEU 85 -7.216 2.818 5.287 699 HD21 LEU 85 HD21 LEU 85 -5.015 2.693 4.416 700 HD22 LEU 85 HD22 LEU 85 -4.038 1.299 4.879 701 HD23 LEU 85 HD23 LEU 85 -4.835 2.268 6.118 702 H LYS 86 H LYS 86 -5.606 -1.667 8.799 703 HA LYS 86 HA LYS 86 -4.314 0.329 10.373 704 HB2 LYS 86 HB2 LYS 86 -5.161 -0.800 12.247 705 HB3 LYS 86 HB3 LYS 86 -6.358 -1.090 10.992 706 HG2 LYS 86 HG2 LYS 86 -6.192 -3.245 11.482 707 HG3 LYS 86 HG3 LYS 86 -4.589 -3.209 10.744 708 HD2 LYS 86 HD2 LYS 86 -4.325 -4.156 12.905 709 HD3 LYS 86 HD3 LYS 86 -3.694 -2.509 12.994 710 HE2 LYS 86 HE2 LYS 86 -4.988 -2.803 14.942 711 HE3 LYS 86 HE3 LYS 86 -5.978 -1.830 13.855 712 HZ1 LYS 86 HZ1 LYS 86 -6.455 -4.595 13.444 713 HZ2 LYS 86 HZ2 LYS 86 -7.547 -3.376 13.870 714 HZ3 LYS 86 HZ3 LYS 86 -6.686 -4.198 15.072 715 H GLU 87 H GLU 87 -3.126 -2.310 8.710 716 HA GLU 87 HA GLU 87 -1.182 -3.305 10.504 717 HB2 GLU 87 HB2 GLU 87 -1.260 -3.289 7.483 718 HB3 GLU 87 HB3 GLU 87 -0.070 -4.168 8.434 719 HG2 GLU 87 HG2 GLU 87 -1.831 -5.509 9.435 720 HG3 GLU 87 HG3 GLU 87 -3.046 -4.607 8.531 721 H LEU 88 H LEU 88 -0.357 -1.577 7.519 722 HA LEU 88 HA LEU 88 2.111 -0.651 8.512 723 HB2 LEU 88 HB2 LEU 88 1.924 0.943 6.502 724 HB3 LEU 88 HB3 LEU 88 2.008 -0.793 6.206 725 HG LEU 88 HG LEU 88 0.334 0.661 4.863 726 HD11 LEU 88 HD11 LEU 88 0.342 -2.038 5.751 727 HD12 LEU 88 HD12 LEU 88 -0.309 -1.368 4.255 728 HD13 LEU 88 HD13 LEU 88 -1.329 -1.475 5.690 729 HD21 LEU 88 HD21 LEU 88 -1.787 1.041 5.850 730 HD22 LEU 88 HD22 LEU 88 -0.589 1.712 6.957 731 HD23 LEU 88 HD23 LEU 88 -1.343 0.157 7.310 732 H THR 89 H THR 89 -0.988 0.363 9.218 733 HA THR 89 HA THR 89 -0.674 3.164 9.391 734 HB THR 89 HB THR 89 -2.569 1.215 10.659 735 HG1 THR 89 HG1 THR 89 -2.968 3.481 8.973 736 HG21 THR 89 HG21 THR 89 -2.257 4.136 11.319 737 HG22 THR 89 HG22 THR 89 -2.319 2.767 12.427 738 HG23 THR 89 HG23 THR 89 -3.770 3.265 11.560 739 H SER 90 H SER 90 -0.266 0.577 11.789 740 HA SER 90 HA SER 90 0.522 2.384 13.870 741 HB2 SER 90 HB2 SER 90 -0.011 -0.464 13.606 742 HB3 SER 90 HB3 SER 90 1.413 -0.155 14.599 743 HG SER 90 HG SER 90 -0.596 -0.164 15.776 744 H ILE 91 H ILE 91 2.133 0.628 11.356 745 HA ILE 91 HA ILE 91 4.745 0.650 12.472 746 HB ILE 91 HB ILE 91 4.036 0.587 9.540 747 HG12 ILE 91 HG12 ILE 91 4.317 -1.727 11.469 748 HG13 ILE 91 HG13 ILE 91 2.794 -1.135 10.815 749 HG21 ILE 91 HG21 ILE 91 6.158 -0.671 9.360 750 HG22 ILE 91 HG22 ILE 91 6.380 0.979 9.939 751 HG23 ILE 91 HG23 ILE 91 6.448 -0.369 11.073 752 HD11 ILE 91 HD11 ILE 91 4.979 -2.637 9.459 753 HD12 ILE 91 HD12 ILE 91 3.240 -2.932 9.459 754 HD13 ILE 91 HD13 ILE 91 3.909 -1.599 8.519 755 H SER 92 H SER 92 2.885 2.937 10.588 756 HA SER 92 HA SER 92 5.067 4.627 9.888 757 HB2 SER 92 HB2 SER 92 2.820 6.244 9.864 758 HB3 SER 92 HB3 SER 92 3.413 5.285 8.508 759 HG SER 92 HG SER 92 1.351 4.700 10.333 760 H ASN 93 H ASN 93 6.281 5.260 11.610 761 HA ASN 93 HA ASN 93 5.109 6.206 14.051 762 HB2 ASN 93 HB2 ASN 93 7.512 6.851 14.574 763 HB3 ASN 93 HB3 ASN 93 7.225 5.142 14.259 764 HD21 ASN 93 HD21 ASN 93 9.026 7.855 13.445 765 HD22 ASN 93 HD22 ASN 93 9.815 7.225 12.042 766 H ILE 94 H ILE 94 3.741 7.870 13.113 767 HA ILE 94 HA ILE 94 5.021 10.202 11.972 768 HB ILE 94 HB ILE 94 2.140 9.950 12.825 769 HG12 ILE 94 HG12 ILE 94 3.389 9.246 10.160 770 HG13 ILE 94 HG13 ILE 94 2.709 8.101 11.311 771 HG21 ILE 94 HG21 ILE 94 3.629 12.095 11.852 772 HG22 ILE 94 HG22 ILE 94 2.687 11.527 10.475 773 HG23 ILE 94 HG23 ILE 94 1.872 11.985 11.971 774 HD11 ILE 94 HD11 ILE 94 0.742 8.324 10.338 775 HD12 ILE 94 HD12 ILE 94 0.725 10.034 10.768 776 HD13 ILE 94 HD13 ILE 94 1.411 9.519 9.227 777 H ARG 95 H ARG 95 6.289 10.119 14.192 778 HA ARG 95 HA ARG 95 4.944 11.322 16.422 779 HB2 ARG 95 HB2 ARG 95 7.868 10.828 15.845 780 HB3 ARG 95 HB3 ARG 95 7.272 11.510 17.352 781 HG2 ARG 95 HG2 ARG 95 6.274 8.873 16.346 782 HG3 ARG 95 HG3 ARG 95 7.776 9.001 17.264 783 HD2 ARG 95 HD2 ARG 95 6.279 10.375 18.922 784 HD3 ARG 95 HD3 ARG 95 4.965 9.505 18.130 785 HE ARG 95 HE ARG 95 7.044 7.743 18.953 786 HH11 ARG 95 HH11 ARG 95 4.310 9.562 20.111 787 HH12 ARG 95 HH12 ARG 95 4.007 8.504 21.449 788 HH21 ARG 95 HH21 ARG 95 6.655 6.342 20.711 789 HH22 ARG 95 HH22 ARG 95 5.343 6.674 21.790 790 H TYR 96 H TYR 96 7.589 12.458 14.311 791 HA TYR 96 HA TYR 96 7.613 15.098 15.203 792 HB2 TYR 96 HB2 TYR 96 8.436 13.829 12.601 793 HB3 TYR 96 HB3 TYR 96 8.604 15.559 12.872 794 HD1 TYR 96 HD2 TYR 96 10.179 16.405 14.561 795 HD2 TYR 96 HD1 TYR 96 9.890 12.251 13.685 796 HE1 TYR 96 HE2 TYR 96 12.334 16.024 15.685 797 HE2 TYR 96 HE1 TYR 96 12.043 11.858 14.807 798 HH TYR 96 HH TYR 96 13.716 14.438 16.527 799 H GLY 97 H GLY 97 7.212 16.924 13.392 800 HA2 GLY 97 HA2 GLY 97 4.492 17.421 13.340 801 HA3 GLY 97 HA3 GLY 97 5.656 18.183 12.266 802 H TYR 98 H TYR 98 6.397 15.534 11.118 803 HA TYR 98 HA TYR 98 3.994 15.145 9.456 804 HB2 TYR 98 HB2 TYR 98 6.890 14.914 8.612 805 HB3 TYR 98 HB3 TYR 98 5.492 14.646 7.577 806 HD1 TYR 98 HD1 TYR 98 7.388 17.204 9.447 807 HD2 TYR 98 HD2 TYR 98 4.325 16.471 6.587 808 HE1 TYR 98 HE1 TYR 98 7.377 19.592 8.857 809 HE2 TYR 98 HE2 TYR 98 4.306 18.856 5.987 810 HH TYR 98 HH TYR 98 6.289 20.828 6.218
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