NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
652313 | 6sve | 34433 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 5 H SER 5 0.153 -1.579 -3.244 2 H1 SER 5 H SER 5 0.484 0.382 -1.766 3 HA SER 5 HA SER 5 1.947 -0.578 -1.427 4 HA SER 5 HA SER 5 3.147 -0.496 -1.169 5 HB2 SER 5 HB2 SER 5 -0.429 -1.289 -0.083 6 HB2 SER 5 HB2 SER 5 0.772 -0.809 0.658 7 HB3 SER 5 HB3 SER 5 0.748 -2.543 0.308 8 HB3 SER 5 HB3 SER 5 2.464 -0.567 1.089 9 HG SER 5 HG SER 5 1.079 0.259 0.627 10 HG SER 5 HG SER 5 0.620 1.300 0.048 11 H LYS 6 H LYS 6 0.255 -3.460 -2.510 12 H LYS 6 H LYS 6 3.454 -2.329 -2.469 13 HA LYS 6 HA LYS 6 2.070 -5.439 -1.891 14 HA LYS 6 HA LYS 6 2.795 -4.792 -1.254 15 HB2 LYS 6 HB2 LYS 6 1.195 -6.650 -3.869 16 HB2 LYS 6 HB2 LYS 6 1.494 -5.718 -3.231 17 HB3 LYS 6 HB3 LYS 6 -0.079 -5.957 -2.873 18 HB3 LYS 6 HB3 LYS 6 0.622 -4.617 -2.171 19 HG2 LYS 6 HG2 LYS 6 0.509 -3.991 -4.756 20 HG2 LYS 6 HG2 LYS 6 0.936 -2.805 -3.751 21 HG3 LYS 6 HG3 LYS 6 0.529 -5.512 -5.652 22 HG3 LYS 6 HG3 LYS 6 1.883 -3.862 -4.800 23 HD2 LYS 6 HD2 LYS 6 -1.702 -4.745 -5.737 24 HD2 LYS 6 HD2 LYS 6 -0.390 -3.673 -5.631 25 HD3 LYS 6 HD3 LYS 6 -1.686 -6.037 -4.535 26 HD3 LYS 6 HD3 LYS 6 -0.082 -5.319 -5.073 27 HE2 LYS 6 HE2 LYS 6 -1.901 -4.558 -2.760 28 HE2 LYS 6 HE2 LYS 6 -1.098 -3.674 -2.932 29 HE3 LYS 6 HE3 LYS 6 -1.298 -3.192 -3.696 30 HE3 LYS 6 HE3 LYS 6 -2.182 -3.636 -4.322 31 HZ1 LYS 6 HZ1 LYS 6 -3.713 -4.323 -4.762 32 HZ1 LYS 6 HZ1 LYS 6 -2.834 -5.443 -2.964 33 HZ2 LYS 6 HZ2 LYS 6 -3.905 -3.724 -3.192 34 HZ2 LYS 6 HZ2 LYS 6 -2.061 -6.116 -4.310 35 HZ3 LYS 6 HZ3 LYS 6 -3.335 -2.709 -4.420 36 HZ3 LYS 6 HZ3 LYS 6 -1.250 -6.022 -2.829 37 H LEU 7 H LEU 7 4.173 -5.568 -2.279 38 H LEU 7 H LEU 7 5.177 -4.461 -1.547 39 HA LEU 7 HA LEU 7 5.219 -5.234 -4.931 40 HA LEU 7 HA LEU 7 6.011 -5.655 -4.101 41 HB2 LEU 7 HB2 LEU 7 5.303 -3.034 -3.103 42 HB2 LEU 7 HB2 LEU 7 7.571 -3.554 -2.609 43 HB3 LEU 7 HB3 LEU 7 6.943 -3.609 -3.400 44 HB3 LEU 7 HB3 LEU 7 7.983 -4.283 -4.160 45 HG LEU 7 HG LEU 7 6.145 -3.457 -5.924 46 HG LEU 7 HG LEU 7 5.758 -2.339 -3.574 47 HD11 LEU 7 HD11 LEU 7 4.062 -2.642 -6.044 48 HD11 LEU 7 HD11 LEU 7 7.856 -2.025 -5.669 49 HD12 LEU 7 HD12 LEU 7 4.113 -1.990 -4.406 50 HD12 LEU 7 HD12 LEU 7 6.956 -0.796 -4.781 51 HD13 LEU 7 HD13 LEU 7 4.832 -1.085 -5.738 52 HD13 LEU 7 HD13 LEU 7 8.255 -1.684 -3.985 53 HD21 LEU 7 HD21 LEU 7 6.934 -1.000 -5.815 54 HD21 LEU 7 HD21 LEU 7 5.909 -2.764 -6.323 55 HD22 LEU 7 HD22 LEU 7 7.188 -1.323 -4.100 56 HD22 LEU 7 HD22 LEU 7 5.927 -4.377 -5.610 57 HD23 LEU 7 HD23 LEU 7 8.046 -2.273 -5.312 58 HD23 LEU 7 HD23 LEU 7 4.611 -3.263 -5.239 59 HA PRO 8 HA PRO 8 8.058 -8.231 -3.429 60 HA PRO 8 HA PRO 8 8.158 -8.624 -1.679 61 HB2 PRO 8 HB2 PRO 8 10.129 -7.843 -5.142 62 HB2 PRO 8 HB2 PRO 8 10.229 -9.227 -3.328 63 HB3 PRO 8 HB3 PRO 8 8.612 -8.612 -5.627 64 HB3 PRO 8 HB3 PRO 8 8.568 -9.744 -3.643 65 HG2 PRO 8 HG2 PRO 8 9.515 -5.785 -6.025 66 HG2 PRO 8 HG2 PRO 8 10.084 -7.435 -4.796 67 HG3 PRO 8 HG3 PRO 8 8.692 -6.868 -7.163 68 HG3 PRO 8 HG3 PRO 8 9.014 -8.590 -5.612 69 HD2 PRO 8 HD2 PRO 8 7.385 -4.942 -5.780 70 HD2 PRO 8 HD2 PRO 8 8.208 -6.102 -4.909 71 HD3 PRO 8 HD3 PRO 8 6.620 -6.480 -6.229 72 HD3 PRO 8 HD3 PRO 8 7.104 -7.492 -4.932 73 HA PRO 9 HA PRO 9 10.825 -6.268 -0.613 74 HA PRO 9 HA PRO 9 11.555 -6.923 0.535 75 HB2 PRO 9 HB2 PRO 9 12.508 -8.339 -0.115 76 HB2 PRO 9 HB2 PRO 9 13.192 -9.052 0.926 77 HB3 PRO 9 HB3 PRO 9 10.860 -8.266 0.521 78 HB3 PRO 9 HB3 PRO 9 11.644 -8.865 1.758 79 HG2 PRO 9 HG2 PRO 9 11.909 -9.748 -1.859 80 HG2 PRO 9 HG2 PRO 9 12.312 -10.508 -0.653 81 HG3 PRO 9 HG3 PRO 9 10.768 -10.293 -0.617 82 HG3 PRO 9 HG3 PRO 9 11.315 -10.934 0.750 83 HD2 PRO 9 HD2 PRO 9 9.966 -9.443 -3.059 84 HD2 PRO 9 HD2 PRO 9 10.247 -10.158 -1.614 85 HD3 PRO 9 HD3 PRO 9 8.987 -9.205 -1.597 86 HD3 PRO 9 HD3 PRO 9 9.475 -9.803 -0.055 87 H GLY 10 H GLY 10 12.756 -5.187 -0.603 88 H GLY 10 H GLY 10 12.784 -5.484 -0.552 89 HA2 GLY 10 HA2 GLY 10 15.004 -4.798 -1.236 90 HA2 GLY 10 HA2 GLY 10 15.212 -5.358 -1.237 91 HA3 GLY 10 HA3 GLY 10 14.786 -5.897 -2.590 92 HA3 GLY 10 HA3 GLY 10 14.776 -6.547 -2.456 93 H TRP 11 H TRP 11 12.274 -4.639 -3.425 94 H TRP 11 H TRP 11 12.127 -5.193 -2.824 95 HA TRP 11 HA TRP 11 13.454 -2.505 -4.987 96 HA TRP 11 HA TRP 11 13.078 -3.210 -4.736 97 HB2 TRP 11 HB2 TRP 11 10.717 -3.789 -5.034 98 HB2 TRP 11 HB2 TRP 11 10.462 -4.644 -4.344 99 HB3 TRP 11 HB3 TRP 11 11.205 -2.489 -6.117 100 HB3 TRP 11 HB3 TRP 11 10.587 -3.247 -5.409 101 HD1 TRP 11 HD1 TRP 11 11.524 -6.217 -5.602 102 HD1 TRP 11 HD1 TRP 11 11.906 -6.849 -5.063 103 HE1 TRP 11 HE1 TRP 11 12.788 -7.247 -7.593 104 HE1 TRP 11 HE1 TRP 11 12.645 -7.665 -7.390 105 HE3 TRP 11 HE3 TRP 11 13.107 -1.917 -7.871 106 HE3 TRP 11 HE3 TRP 11 11.311 -2.495 -7.676 107 HZ2 TRP 11 HZ2 TRP 11 14.262 -6.355 -9.830 108 HZ2 TRP 11 HZ2 TRP 11 12.937 -6.603 -9.989 109 HZ3 TRP 11 HZ3 TRP 11 14.439 -2.093 -9.932 110 HZ3 TRP 11 HZ3 TRP 11 11.842 -2.479 -10.078 111 HH2 TRP 11 HH2 TRP 11 15.004 -4.267 -10.889 112 HH2 TRP 11 HH2 TRP 11 12.639 -4.492 -11.209 113 H GLU 12 H GLU 12 12.302 -0.435 -5.283 114 H GLU 12 H GLU 12 12.969 -1.091 -4.393 115 HA GLU 12 HA GLU 12 10.553 0.437 -3.155 116 HA GLU 12 HA GLU 12 11.148 -0.109 -2.293 117 HB2 GLU 12 HB2 GLU 12 12.002 2.211 -2.340 118 HB2 GLU 12 HB2 GLU 12 13.461 0.042 -1.544 119 HB3 GLU 12 HB3 GLU 12 12.777 0.648 -2.117 120 HB3 GLU 12 HB3 GLU 12 13.904 0.905 -3.010 121 HG2 GLU 12 HG2 GLU 12 14.343 1.038 -3.772 122 HG2 GLU 12 HG2 GLU 12 12.189 2.655 -2.271 123 HG3 GLU 12 HG3 GLU 12 13.362 2.280 -4.548 124 HG3 GLU 12 HG3 GLU 12 12.259 1.859 -0.699 125 H LYS 13 H LYS 13 9.306 2.140 -3.751 126 H LYS 13 H LYS 13 9.580 1.102 -3.095 127 HA LYS 13 HA LYS 13 9.698 3.146 -6.474 128 HA LYS 13 HA LYS 13 9.677 2.163 -5.751 129 HB2 LYS 13 HB2 LYS 13 7.530 2.233 -6.186 130 HB2 LYS 13 HB2 LYS 13 7.599 1.316 -4.646 131 HB3 LYS 13 HB3 LYS 13 7.310 3.043 -4.640 132 HB3 LYS 13 HB3 LYS 13 7.645 2.717 -3.583 133 HG2 LYS 13 HG2 LYS 13 7.769 4.859 -6.887 134 HG2 LYS 13 HG2 LYS 13 7.794 3.889 -6.034 135 HG3 LYS 13 HG3 LYS 13 6.296 3.895 -7.015 136 HG3 LYS 13 HG3 LYS 13 6.772 2.489 -6.365 137 HD2 LYS 13 HD2 LYS 13 6.189 4.682 -4.417 138 HD2 LYS 13 HD2 LYS 13 5.079 3.236 -5.030 139 HD3 LYS 13 HD3 LYS 13 6.981 6.073 -5.163 140 HD3 LYS 13 HD3 LYS 13 6.173 4.081 -3.932 141 HE2 LYS 13 HE2 LYS 13 5.135 6.666 -6.322 142 HE2 LYS 13 HE2 LYS 13 6.573 5.587 -6.068 143 HE3 LYS 13 HE3 LYS 13 4.652 4.995 -6.612 144 HE3 LYS 13 HE3 LYS 13 4.974 4.985 -6.501 145 HZ1 LYS 13 HZ1 LYS 13 4.284 5.235 -3.962 146 HZ1 LYS 13 HZ1 LYS 13 5.575 7.067 -4.782 147 HZ2 LYS 13 HZ2 LYS 13 3.883 6.793 -4.488 148 HZ2 LYS 13 HZ2 LYS 13 4.054 6.385 -5.074 149 HZ3 LYS 13 HZ3 LYS 13 3.069 5.450 -5.119 150 HZ3 LYS 13 HZ3 LYS 13 5.006 5.814 -3.798 151 H ARG 14 H ARG 14 10.311 5.174 -6.865 152 H ARG 14 H ARG 14 10.507 4.042 -6.364 153 HA ARG 14 HA ARG 14 9.959 7.199 -4.770 154 HA ARG 14 HA ARG 14 10.645 6.231 -4.399 155 HB2 ARG 14 HB2 ARG 14 12.512 6.816 -6.343 156 HB2 ARG 14 HB2 ARG 14 12.772 5.110 -6.162 157 HB3 ARG 14 HB3 ARG 14 12.214 8.039 -5.116 158 HB3 ARG 14 HB3 ARG 14 12.763 6.845 -5.878 159 HG2 ARG 14 HG2 ARG 14 11.875 5.208 -4.319 160 HG2 ARG 14 HG2 ARG 14 12.442 5.715 -3.358 161 HG3 ARG 14 HG3 ARG 14 13.518 5.788 -4.604 162 HG3 ARG 14 HG3 ARG 14 13.643 4.704 -4.164 163 HD2 ARG 14 HD2 ARG 14 11.499 7.000 -2.719 164 HD2 ARG 14 HD2 ARG 14 15.178 6.255 -3.755 165 HD3 ARG 14 HD3 ARG 14 12.900 6.033 -2.260 166 HD3 ARG 14 HD3 ARG 14 14.284 7.376 -4.782 167 HE ARG 14 HE ARG 14 13.777 8.212 -3.786 168 HE ARG 14 HE ARG 14 14.345 7.324 -1.895 169 HH11 ARG 14 HH11 ARG 14 12.352 7.536 -0.682 170 HH11 ARG 14 HH11 ARG 14 12.665 8.419 -4.741 171 HH12 ARG 14 HH12 ARG 14 13.063 8.915 0.089 172 HH12 ARG 14 HH12 ARG 14 11.870 9.727 -3.928 173 HH21 ARG 14 HH21 ARG 14 14.719 10.030 -2.781 174 HH21 ARG 14 HH21 ARG 14 13.305 9.042 -0.814 175 HH22 ARG 14 HH22 ARG 14 14.408 10.333 -1.105 176 HH22 ARG 14 HH22 ARG 14 12.236 10.081 -1.695 177 H MET 15 H MET 15 10.415 9.443 -5.658 178 H MET 15 H MET 15 10.905 8.395 -5.445 179 HA MET 15 HA MET 15 9.315 9.614 -8.384 180 HA MET 15 HA MET 15 9.314 8.497 -7.920 181 HB2 MET 15 HB2 MET 15 8.985 11.348 -5.956 182 HB2 MET 15 HB2 MET 15 8.592 9.572 -5.588 183 HB3 MET 15 HB3 MET 15 8.711 12.006 -7.564 184 HB3 MET 15 HB3 MET 15 9.589 10.895 -6.178 185 HG2 MET 15 HG2 MET 15 7.310 9.579 -6.472 186 HG2 MET 15 HG2 MET 15 8.200 11.303 -7.991 187 HG3 MET 15 HG3 MET 15 6.662 11.216 -6.405 188 HG3 MET 15 HG3 MET 15 7.456 9.708 -7.902 189 HE1 MET 15 HE1 MET 15 4.433 11.268 -8.796 190 HE1 MET 15 HE1 MET 15 5.525 10.883 -8.482 191 HE2 MET 15 HE2 MET 15 4.386 9.515 -8.613 192 HE2 MET 15 HE2 MET 15 4.423 10.415 -7.188 193 HE3 MET 15 HE3 MET 15 4.707 10.539 -7.213 194 HE3 MET 15 HE3 MET 15 4.666 12.120 -7.564 195 H SER 16 H SER 16 10.320 10.832 -9.911 196 H SER 16 H SER 16 9.912 9.900 -9.575 197 HA SER 16 HA SER 16 13.052 11.284 -9.771 198 HA SER 16 HA SER 16 12.634 10.189 -10.078 199 HB2 SER 16 HB2 SER 16 10.875 12.126 -11.611 200 HB2 SER 16 HB2 SER 16 10.203 10.754 -11.440 201 HB3 SER 16 HB3 SER 16 12.395 13.014 -11.717 202 HB3 SER 16 HB3 SER 16 11.209 12.199 -11.532 203 HG SER 16 HG SER 16 12.482 10.219 -11.645 204 HG SER 16 HG SER 16 12.924 10.720 -12.231 205 H ARG 17 H ARG 17 13.949 13.613 -10.367 206 H ARG 17 H ARG 17 13.412 12.562 -10.828 207 HA ARG 17 HA ARG 17 13.642 15.169 -7.999 208 HA ARG 17 HA ARG 17 13.567 14.056 -8.340 209 HB2 ARG 17 HB2 ARG 17 15.057 15.969 -10.545 210 HB2 ARG 17 HB2 ARG 17 15.654 13.638 -9.462 211 HB3 ARG 17 HB3 ARG 17 15.327 16.612 -8.930 212 HB3 ARG 17 HB3 ARG 17 15.037 14.311 -10.965 213 HG2 ARG 17 HG2 ARG 17 17.060 15.182 -8.956 214 HG2 ARG 17 HG2 ARG 17 14.760 16.305 -8.987 215 HG3 ARG 17 HG3 ARG 17 15.828 14.014 -8.476 216 HG3 ARG 17 HG3 ARG 17 16.383 15.627 -8.833 217 HD2 ARG 17 HD2 ARG 17 16.203 12.840 -10.322 218 HD2 ARG 17 HD2 ARG 17 15.369 16.273 -11.554 219 HD3 ARG 17 HD3 ARG 17 15.792 14.241 -11.310 220 HD3 ARG 17 HD3 ARG 17 15.855 17.604 -10.506 221 HE ARG 17 HE ARG 17 18.437 13.275 -10.668 222 HE ARG 17 HE ARG 17 17.963 15.945 -10.343 223 HH11 ARG 17 HH11 ARG 17 16.518 15.952 -11.796 224 HH11 ARG 17 HH11 ARG 17 16.182 17.215 -13.051 225 HH12 ARG 17 HH12 ARG 17 17.840 16.727 -12.604 226 HH12 ARG 17 HH12 ARG 17 17.544 17.200 -14.121 227 HH21 ARG 17 HH21 ARG 17 20.185 14.286 -11.729 228 HH21 ARG 17 HH21 ARG 17 19.764 15.920 -11.742 229 HH22 ARG 17 HH22 ARG 17 19.925 15.779 -12.566 230 HH22 ARG 17 HH22 ARG 17 19.581 16.462 -13.376 231 H ASN 18 H ASN 18 13.497 16.457 -11.303 232 H ASN 18 H ASN 18 13.622 15.436 -11.588 233 HA ASN 18 HA ASN 18 11.552 18.426 -10.466 234 HA ASN 18 HA ASN 18 11.482 17.278 -10.754 235 HB2 ASN 18 HB2 ASN 18 13.198 17.955 -12.916 236 HB2 ASN 18 HB2 ASN 18 13.816 18.192 -11.281 237 HB3 ASN 18 HB3 ASN 18 11.757 18.959 -13.052 238 HB3 ASN 18 HB3 ASN 18 13.469 17.797 -12.962 239 HD21 ASN 18 HD21 ASN 18 14.223 19.999 -13.558 240 HD21 ASN 18 HD21 ASN 18 13.712 20.058 -13.373 241 HD22 ASN 18 HD22 ASN 18 14.653 21.122 -12.317 242 HD22 ASN 18 HD22 ASN 18 12.401 21.140 -13.064 243 H SER 19 H SER 19 11.584 15.393 -12.121 244 H SER 19 H SER 19 11.594 14.550 -12.277 245 HA SER 19 HA SER 19 8.807 15.778 -13.001 246 HA SER 19 HA SER 19 10.198 15.347 -14.722 247 HB2 SER 19 HB2 SER 19 9.162 14.225 -14.674 248 HB2 SER 19 HB2 SER 19 10.262 12.637 -14.843 249 HB3 SER 19 HB3 SER 19 10.783 14.903 -14.526 250 HB3 SER 19 HB3 SER 19 11.558 13.673 -15.442 251 HG SER 19 HG SER 19 10.533 12.510 -14.509 252 HG SER 19 HG SER 19 12.044 11.862 -13.871 253 H GLY 20 H GLY 20 7.434 13.743 -12.859 254 H GLY 20 H GLY 20 9.700 13.627 -11.694 255 HA2 GLY 20 HA2 GLY 20 7.960 12.370 -10.296 256 HA2 GLY 20 HA2 GLY 20 7.659 13.446 -10.557 257 HA3 GLY 20 HA3 GLY 20 6.365 12.968 -10.726 258 HA3 GLY 20 HA3 GLY 20 6.824 13.941 -12.022 259 H ARG 21 H ARG 21 8.895 10.975 -12.264 260 H ARG 21 H ARG 21 8.370 11.907 -13.590 261 HA ARG 21 HA ARG 21 6.778 9.191 -13.239 262 HA ARG 21 HA ARG 21 6.510 9.896 -13.736 263 HB2 ARG 21 HB2 ARG 21 9.218 10.191 -14.373 264 HB2 ARG 21 HB2 ARG 21 9.311 10.218 -14.596 265 HB3 ARG 21 HB3 ARG 21 9.283 8.435 -14.310 266 HB3 ARG 21 HB3 ARG 21 8.764 8.552 -14.458 267 HG2 ARG 21 HG2 ARG 21 7.451 8.189 -15.714 268 HG2 ARG 21 HG2 ARG 21 7.428 8.706 -16.254 269 HG3 ARG 21 HG3 ARG 21 6.883 9.834 -15.417 270 HG3 ARG 21 HG3 ARG 21 6.920 10.351 -15.865 271 HD2 ARG 21 HD2 ARG 21 7.987 9.341 -17.673 272 HD2 ARG 21 HD2 ARG 21 8.322 9.991 -17.982 273 HD3 ARG 21 HD3 ARG 21 8.519 10.773 -16.793 274 HD3 ARG 21 HD3 ARG 21 8.787 11.297 -16.893 275 HE ARG 21 HE ARG 21 10.596 9.843 -16.644 276 HE ARG 21 HE ARG 21 10.772 10.230 -16.560 277 HH11 ARG 21 HH11 ARG 21 8.293 7.324 -17.328 278 HH11 ARG 21 HH11 ARG 21 8.454 7.915 -17.737 279 HH12 ARG 21 HH12 ARG 21 9.499 6.096 -17.530 280 HH12 ARG 21 HH12 ARG 21 9.607 6.628 -17.863 281 HH21 ARG 21 HH21 ARG 21 12.193 8.236 -16.907 282 HH21 ARG 21 HH21 ARG 21 12.300 8.545 -16.721 283 HH22 ARG 21 HH22 ARG 21 11.717 6.616 -17.290 284 HH22 ARG 21 HH22 ARG 21 11.795 6.988 -17.284 285 H VAL 22 H VAL 22 6.381 7.850 -11.527 286 H VAL 22 H VAL 22 6.803 7.552 -13.216 287 HA VAL 22 HA VAL 22 8.163 6.794 -9.708 288 HA VAL 22 HA VAL 22 7.875 7.258 -10.486 289 HB VAL 22 HB VAL 22 5.564 5.783 -10.798 290 HB VAL 22 HB VAL 22 5.587 5.772 -11.785 291 HG11 VAL 22 HG11 VAL 22 6.685 3.730 -10.464 292 HG11 VAL 22 HG11 VAL 22 6.728 5.536 -9.002 293 HG12 VAL 22 HG12 VAL 22 7.430 4.295 -8.968 294 HG12 VAL 22 HG12 VAL 22 5.271 4.733 -9.588 295 HG13 VAL 22 HG13 VAL 22 5.696 3.981 -9.026 296 HG13 VAL 22 HG13 VAL 22 6.841 4.326 -10.280 297 HG21 VAL 22 HG21 VAL 22 4.729 6.303 -8.648 298 HG21 VAL 22 HG21 VAL 22 5.336 8.225 -10.958 299 HG22 VAL 22 HG22 VAL 22 6.351 6.426 -7.966 300 HG22 VAL 22 HG22 VAL 22 4.123 7.027 -10.508 301 HG23 VAL 22 HG23 VAL 22 5.776 7.649 -9.099 302 HG23 VAL 22 HG23 VAL 22 5.370 7.497 -9.352 303 H TYR 23 H TYR 23 9.472 5.009 -9.600 304 H TYR 23 H TYR 23 9.050 5.428 -9.957 305 HA TYR 23 HA TYR 23 9.674 3.258 -11.928 306 HA TYR 23 HA TYR 23 9.497 3.339 -11.896 307 HB2 TYR 23 HB2 TYR 23 12.173 3.525 -11.921 308 HB2 TYR 23 HB2 TYR 23 11.769 3.716 -12.349 309 HB3 TYR 23 HB3 TYR 23 11.288 4.942 -12.477 310 HB3 TYR 23 HB3 TYR 23 11.038 5.310 -12.501 311 HD1 TYR 23 HD1 TYR 23 12.931 3.508 -9.458 312 HD1 TYR 23 HD1 TYR 23 11.063 6.748 -10.283 313 HD2 TYR 23 HD2 TYR 23 11.689 7.025 -11.506 314 HD2 TYR 23 HD2 TYR 23 13.694 3.503 -11.089 315 HE1 TYR 23 HE1 TYR 23 14.106 4.886 -7.793 316 HE1 TYR 23 HE1 TYR 23 12.660 7.642 -8.639 317 HE2 TYR 23 HE2 TYR 23 12.862 8.412 -9.848 318 HE2 TYR 23 HE2 TYR 23 15.297 4.387 -9.446 319 HH TYR 23 HH TYR 23 15.052 7.795 -8.150 320 HH TYR 23 HH TYR 23 15.798 6.084 -8.092 321 H TYR 24 H TYR 24 11.274 1.448 -11.483 322 H TYR 24 H TYR 24 11.708 2.141 -10.926 323 HA TYR 24 HA TYR 24 10.968 0.608 -8.679 324 HA TYR 24 HA TYR 24 11.233 1.827 -8.040 325 HB2 TYR 24 HB2 TYR 24 11.010 -0.906 -11.269 326 HB2 TYR 24 HB2 TYR 24 11.538 -0.394 -10.070 327 HB3 TYR 24 HB3 TYR 24 11.436 -1.719 -9.767 328 HB3 TYR 24 HB3 TYR 24 11.528 -0.629 -8.325 329 HD1 TYR 24 HD1 TYR 24 8.729 0.009 -11.580 330 HD1 TYR 24 HD1 TYR 24 9.546 -0.556 -11.243 331 HD2 TYR 24 HD2 TYR 24 9.766 -2.298 -8.159 332 HD2 TYR 24 HD2 TYR 24 9.419 0.298 -7.077 333 HE1 TYR 24 HE1 TYR 24 6.342 -0.351 -11.106 334 HE1 TYR 24 HE1 TYR 24 7.093 -0.730 -11.289 335 HE2 TYR 24 HE2 TYR 24 7.382 -2.665 -7.676 336 HE2 TYR 24 HE2 TYR 24 6.965 0.125 -7.111 337 HH TYR 24 HH TYR 24 4.975 -0.896 -8.858 338 HH TYR 24 HH TYR 24 5.241 -1.247 -8.838 339 H PHE 25 H PHE 25 12.759 0.812 -7.524 340 H PHE 25 H PHE 25 13.016 1.081 -6.818 341 HA PHE 25 HA PHE 25 15.342 0.234 -8.822 342 HA PHE 25 HA PHE 25 15.602 1.026 -8.200 343 HB2 PHE 25 HB2 PHE 25 15.068 2.624 -8.215 344 HB2 PHE 25 HB2 PHE 25 15.012 3.321 -7.165 345 HB3 PHE 25 HB3 PHE 25 14.836 2.149 -6.535 346 HB3 PHE 25 HB3 PHE 25 15.284 2.531 -5.615 347 HD1 PHE 25 HD1 PHE 25 16.650 2.293 -5.146 348 HD1 PHE 25 HD1 PHE 25 16.891 3.354 -8.848 349 HD2 PHE 25 HD2 PHE 25 17.287 1.605 -9.298 350 HD2 PHE 25 HD2 PHE 25 17.448 2.237 -4.779 351 HE1 PHE 25 HE1 PHE 25 19.082 2.381 -4.785 352 HE1 PHE 25 HE1 PHE 25 19.306 3.766 -9.070 353 HE2 PHE 25 HE2 PHE 25 19.720 1.691 -8.943 354 HE2 PHE 25 HE2 PHE 25 19.864 2.649 -4.994 355 HZ PHE 25 HZ PHE 25 20.620 2.079 -6.684 356 HZ PHE 25 HZ PHE 25 20.796 3.415 -7.141 357 H ASN 26 H ASN 26 16.496 -1.378 -7.986 358 H ASN 26 H ASN 26 17.052 -0.405 -7.387 359 HA ASN 26 HA ASN 26 15.606 -2.542 -5.443 360 HA ASN 26 HA ASN 26 16.245 -1.884 -4.968 361 HB2 ASN 26 HB2 ASN 26 15.703 -3.929 -7.584 362 HB2 ASN 26 HB2 ASN 26 16.269 -2.994 -7.384 363 HB3 ASN 26 HB3 ASN 26 17.457 -3.830 -7.447 364 HB3 ASN 26 HB3 ASN 26 17.984 -3.170 -7.022 365 HD21 ASN 26 HD21 ASN 26 15.586 -6.113 -7.286 366 HD21 ASN 26 HD21 ASN 26 14.785 -4.211 -6.299 367 HD22 ASN 26 HD22 ASN 26 15.937 -6.883 -5.779 368 HD22 ASN 26 HD22 ASN 26 15.213 -5.500 -5.231 369 H HIS 27 H HIS 27 16.764 -2.115 -3.695 370 H HIS 27 H HIS 27 18.054 -2.923 -3.799 371 HA HIS 27 HA HIS 27 19.332 -0.874 -3.831 372 HA HIS 27 HA HIS 27 20.563 -1.403 -4.051 373 HB2 HIS 27 HB2 HIS 27 19.170 -0.601 -1.524 374 HB2 HIS 27 HB2 HIS 27 20.655 -1.673 -1.473 375 HB3 HIS 27 HB3 HIS 27 17.480 -0.633 -2.019 376 HB3 HIS 27 HB3 HIS 27 19.624 -0.417 -2.154 377 HD1 HIS 27 HD1 HIS 27 16.050 -2.590 -1.216 378 HD1 HIS 27 HD1 HIS 27 19.541 -3.498 -0.124 379 HD2 HIS 27 HD2 HIS 27 20.041 -2.887 -0.101 380 HD2 HIS 27 HD2 HIS 27 16.825 -0.994 -2.026 381 HE1 HIS 27 HE1 HIS 27 16.141 -4.456 0.467 382 HE1 HIS 27 HE1 HIS 27 17.292 -4.100 0.826 383 H ILE 28 H ILE 28 18.269 -4.104 -3.831 384 H ILE 28 H ILE 28 19.770 -4.085 -4.995 385 HA ILE 28 HA ILE 28 20.727 -5.175 -2.709 386 HA ILE 28 HA ILE 28 21.651 -5.716 -3.418 387 HB ILE 28 HB ILE 28 18.314 -6.559 -3.882 388 HB ILE 28 HB ILE 28 19.386 -6.657 -5.181 389 HG12 ILE 28 HG12 ILE 28 19.281 -6.195 -1.039 390 HG12 ILE 28 HG12 ILE 28 19.720 -6.403 -2.203 391 HG13 ILE 28 HG13 ILE 28 17.844 -5.477 -1.758 392 HG13 ILE 28 HG13 ILE 28 18.389 -5.848 -3.212 393 HG21 ILE 28 HG21 ILE 28 19.485 -8.440 -3.977 394 HG21 ILE 28 HG21 ILE 28 21.189 -8.292 -3.406 395 HG22 ILE 28 HG22 ILE 28 20.935 -7.553 -3.507 396 HG22 ILE 28 HG22 ILE 28 19.939 -8.884 -4.501 397 HG23 ILE 28 HG23 ILE 28 19.908 -8.280 -2.272 398 HG23 ILE 28 HG23 ILE 28 21.396 -8.130 -5.150 399 HD11 ILE 28 HD11 ILE 28 17.021 -7.842 -2.119 400 HD11 ILE 28 HD11 ILE 28 17.822 -8.242 -3.629 401 HD12 ILE 28 HD12 ILE 28 18.338 -8.350 -1.062 402 HD12 ILE 28 HD12 ILE 28 19.032 -8.673 -2.421 403 HD13 ILE 28 HD13 ILE 28 17.085 -7.269 -0.453 404 HD13 ILE 28 HD13 ILE 28 17.628 -7.711 -1.958 405 H THR 29 H THR 29 18.960 -5.583 -5.784 406 H THR 29 H THR 29 20.584 -4.889 -6.686 407 HA THR 29 HA THR 29 21.313 -6.606 -7.098 408 HA THR 29 HA THR 29 23.237 -5.691 -7.670 409 HB THR 29 HB THR 29 19.771 -6.398 -9.170 410 HB THR 29 HB THR 29 22.353 -6.689 -9.637 411 HG1 THR 29 HG1 THR 29 17.636 -6.051 -8.748 412 HG1 THR 29 HG1 THR 29 19.892 -6.770 -9.722 413 HG21 THR 29 HG21 THR 29 20.166 -8.553 -8.329 414 HG21 THR 29 HG21 THR 29 20.898 -8.493 -8.745 415 HG22 THR 29 HG22 THR 29 19.303 -8.221 -6.827 416 HG22 THR 29 HG22 THR 29 22.315 -8.187 -7.740 417 HG23 THR 29 HG23 THR 29 18.408 -8.406 -8.335 418 HG23 THR 29 HG23 THR 29 20.736 -7.577 -7.247 419 H ASN 30 H ASN 30 20.174 -3.541 -6.379 420 H ASN 30 H ASN 30 21.922 -3.093 -6.942 421 HA ASN 30 HA ASN 30 20.753 -1.442 -7.035 422 HA ASN 30 HA ASN 30 21.427 -1.028 -7.878 423 HB2 ASN 30 HB2 ASN 30 23.064 -2.824 -6.982 424 HB2 ASN 30 HB2 ASN 30 24.155 -1.802 -8.075 425 HB3 ASN 30 HB3 ASN 30 23.039 -2.370 -8.683 426 HB3 ASN 30 HB3 ASN 30 23.766 -0.865 -9.514 427 HD21 ASN 30 HD21 ASN 30 21.804 0.101 -8.507 428 HD21 ASN 30 HD21 ASN 30 21.869 0.859 -8.460 429 HD22 ASN 30 HD22 ASN 30 22.856 1.196 -7.682 430 HD22 ASN 30 HD22 ASN 30 22.642 1.919 -7.335 431 H ALA 31 H ALA 31 19.216 -3.359 -8.860 432 H ALA 31 H ALA 31 19.629 -1.662 -9.206 433 HA ALA 31 HA ALA 31 19.729 -2.183 -11.478 434 HA ALA 31 HA ALA 31 20.037 -1.015 -11.969 435 HB1 ALA 31 HB1 ALA 31 17.984 -3.769 -12.256 436 HB1 ALA 31 HB1 ALA 31 20.642 -3.393 -11.991 437 HB2 ALA 31 HB2 ALA 31 19.344 -4.554 -11.452 438 HB2 ALA 31 HB2 ALA 31 19.063 -3.793 -11.315 439 HB3 ALA 31 HB3 ALA 31 17.817 -4.340 -10.595 440 HB3 ALA 31 HB3 ALA 31 19.178 -3.077 -12.922 441 H SER 32 H SER 32 17.924 -1.316 -12.748 442 H SER 32 H SER 32 18.243 -0.119 -12.830 443 HA SER 32 HA SER 32 15.838 -0.065 -11.094 444 HA SER 32 HA SER 32 15.778 -0.265 -11.224 445 HB2 SER 32 HB2 SER 32 17.947 1.365 -12.012 446 HB2 SER 32 HB2 SER 32 15.221 1.956 -12.140 447 HB3 SER 32 HB3 SER 32 16.846 1.525 -13.380 448 HB3 SER 32 HB3 SER 32 16.763 1.980 -11.284 449 HG SER 32 HG SER 32 15.259 2.055 -11.572 450 HG SER 32 HG SER 32 16.409 1.798 -14.096 451 H GLN 33 H GLN 33 13.930 0.592 -12.276 452 H GLN 33 H GLN 33 13.822 -0.624 -12.221 453 HA GLN 33 HA GLN 33 13.545 -0.167 -14.997 454 HA GLN 33 HA GLN 33 13.848 -1.111 -15.116 455 HB2 GLN 33 HB2 GLN 33 11.588 -1.793 -13.995 456 HB2 GLN 33 HB2 GLN 33 13.686 -3.314 -14.781 457 HB3 GLN 33 HB3 GLN 33 13.131 -2.347 -14.630 458 HB3 GLN 33 HB3 GLN 33 13.563 -3.092 -13.041 459 HG2 GLN 33 HG2 GLN 33 14.039 -2.643 -12.510 460 HG2 GLN 33 HG2 GLN 33 11.180 -2.797 -13.199 461 HG3 GLN 33 HG3 GLN 33 12.826 -1.617 -11.746 462 HG3 GLN 33 HG3 GLN 33 11.257 -2.865 -14.959 463 HE21 GLN 33 HE21 GLN 33 13.576 -4.769 -12.937 464 HE21 GLN 33 HE21 GLN 33 9.660 -4.534 -13.356 465 HE22 GLN 33 HE22 GLN 33 12.171 -5.567 -12.327 466 HE22 GLN 33 HE22 GLN 33 10.217 -6.158 -13.550 467 H PHE 34 H PHE 34 10.866 -0.451 -15.164 468 H PHE 34 H PHE 34 12.200 -0.177 -16.136 469 HA PHE 34 HA PHE 34 9.666 1.724 -13.616 470 HA PHE 34 HA PHE 34 10.110 1.085 -14.558 471 HB2 PHE 34 HB2 PHE 34 9.689 1.570 -16.637 472 HB2 PHE 34 HB2 PHE 34 11.211 1.413 -17.293 473 HB3 PHE 34 HB3 PHE 34 8.674 2.667 -15.707 474 HB3 PHE 34 HB3 PHE 34 9.505 1.794 -17.085 475 HD1 PHE 34 HD1 PHE 34 12.064 1.929 -16.834 476 HD1 PHE 34 HD1 PHE 34 12.926 2.720 -16.182 477 HD2 PHE 34 HD2 PHE 34 9.629 4.570 -14.552 478 HD2 PHE 34 HD2 PHE 34 8.801 3.681 -15.768 479 HE1 PHE 34 HE1 PHE 34 13.890 3.578 -16.800 480 HE1 PHE 34 HE1 PHE 34 13.535 4.931 -15.291 481 HE2 PHE 34 HE2 PHE 34 11.450 6.223 -14.515 482 HE2 PHE 34 HE2 PHE 34 9.402 5.894 -14.877 483 HZ PHE 34 HZ PHE 34 13.584 5.729 -15.641 484 HZ PHE 34 HZ PHE 34 11.772 6.522 -14.638 485 H GLU 35 H GLU 35 9.219 -0.934 -15.897 486 H GLU 35 H GLU 35 9.232 -1.091 -14.000 487 HA GLU 35 HA GLU 35 6.386 -1.088 -15.502 488 HA GLU 35 HA GLU 35 6.895 -1.615 -15.492 489 HB2 GLU 35 HB2 GLU 35 8.437 -2.698 -16.947 490 HB2 GLU 35 HB2 GLU 35 9.255 -3.072 -16.293 491 HB3 GLU 35 HB3 GLU 35 6.901 -3.465 -16.571 492 HB3 GLU 35 HB3 GLU 35 8.035 -4.175 -15.672 493 HG2 GLU 35 HG2 GLU 35 7.322 -0.964 -18.187 494 HG2 GLU 35 HG2 GLU 35 7.758 -2.227 -17.943 495 HG3 GLU 35 HG3 GLU 35 6.814 -2.544 -18.783 496 HG3 GLU 35 HG3 GLU 35 7.734 -3.987 -18.022 497 H ARG 36 H ARG 36 5.245 -2.287 -14.088 498 H ARG 36 H ARG 36 5.841 -3.746 -14.680 499 HA ARG 36 HA ARG 36 6.273 -3.119 -11.681 500 HA ARG 36 HA ARG 36 5.844 -3.615 -11.815 501 HB2 ARG 36 HB2 ARG 36 3.882 -2.789 -12.070 502 HB2 ARG 36 HB2 ARG 36 3.760 -3.934 -13.057 503 HB3 ARG 36 HB3 ARG 36 3.842 -4.207 -13.110 504 HB3 ARG 36 HB3 ARG 36 4.363 -5.455 -13.703 505 HG2 ARG 36 HG2 ARG 36 4.672 -5.495 -11.054 506 HG2 ARG 36 HG2 ARG 36 2.967 -6.122 -11.983 507 HG3 ARG 36 HG3 ARG 36 4.181 -4.067 -10.140 508 HG3 ARG 36 HG3 ARG 36 4.567 -6.173 -11.241 509 HD2 ARG 36 HD2 ARG 36 1.916 -4.279 -10.945 510 HD2 ARG 36 HD2 ARG 36 4.184 -3.983 -10.240 511 HD3 ARG 36 HD3 ARG 36 2.380 -5.617 -11.996 512 HD3 ARG 36 HD3 ARG 36 2.599 -3.901 -11.007 513 HE ARG 36 HE ARG 36 2.215 -7.019 -10.202 514 HE ARG 36 HE ARG 36 2.454 -6.181 -9.573 515 HH11 ARG 36 HH11 ARG 36 2.483 -3.746 -9.046 516 HH11 ARG 36 HH11 ARG 36 3.398 -2.928 -8.771 517 HH12 ARG 36 HH12 ARG 36 2.207 -4.170 -7.389 518 HH12 ARG 36 HH12 ARG 36 2.873 -3.043 -7.124 519 HH21 ARG 36 HH21 ARG 36 1.850 -7.590 -8.024 520 HH21 ARG 36 HH21 ARG 36 1.758 -6.345 -7.407 521 HH22 ARG 36 HH22 ARG 36 1.848 -6.357 -6.809 522 HH22 ARG 36 HH22 ARG 36 1.940 -4.987 -6.349 523 HA PRO 37 HA PRO 37 8.547 -6.733 -13.073 524 HA PRO 37 HA PRO 37 9.051 -6.723 -11.468 525 HB2 PRO 37 HB2 PRO 37 9.789 -7.153 -10.696 526 HB2 PRO 37 HB2 PRO 37 9.244 -6.572 -8.764 527 HB3 PRO 37 HB3 PRO 37 10.320 -5.928 -11.854 528 HB3 PRO 37 HB3 PRO 37 9.980 -5.385 -9.848 529 HG2 PRO 37 HG2 PRO 37 8.650 -5.609 -9.390 530 HG2 PRO 37 HG2 PRO 37 7.408 -5.221 -8.325 531 HG3 PRO 37 HG3 PRO 37 9.979 -4.594 -9.980 532 HG3 PRO 37 HG3 PRO 37 8.657 -3.982 -8.548 533 HD2 PRO 37 HD2 PRO 37 7.377 -3.929 -10.323 534 HD2 PRO 37 HD2 PRO 37 6.361 -4.011 -9.983 535 HD3 PRO 37 HD3 PRO 37 8.636 -3.496 -11.497 536 HD3 PRO 37 HD3 PRO 37 7.895 -3.413 -10.648 537 H SER 38 H SER 38 6.335 -7.750 -13.136 538 H SER 38 H SER 38 8.078 -8.647 -11.966 539 HA SER 38 HA SER 38 5.699 -9.310 -10.741 540 HA SER 38 HA SER 38 6.945 -10.135 -9.742 541 HB2 SER 38 HB2 SER 38 3.663 -9.957 -12.236 542 HB2 SER 38 HB2 SER 38 5.401 -9.340 -12.173 543 HB3 SER 38 HB3 SER 38 3.729 -8.339 -11.536 544 HB3 SER 38 HB3 SER 38 5.119 -10.940 -11.486 545 HG SER 38 HG SER 38 3.986 -7.506 -13.465 546 HG SER 38 HG SER 38 4.742 -8.410 -10.289 547 H GLY 39 H GLY 39 8.029 -10.124 -11.902 548 H GLY 39 H GLY 39 9.340 -10.711 -10.532 549 HA2 GLY 39 HA2 GLY 39 7.240 -12.731 -13.028 550 HA2 GLY 39 HA2 GLY 39 9.158 -12.813 -12.587 551 HA3 GLY 39 HA3 GLY 39 8.533 -11.801 -13.771 552 HA3 GLY 39 HA3 GLY 39 10.643 -12.030 -12.066 Start of MODEL 2 1 H1 SER 5 H SER 5 1.807 0.001 0.856 2 H1 SER 5 H SER 5 1.741 0.570 -0.866 3 HA SER 5 HA SER 5 1.446 0.358 -2.029 4 HA SER 5 HA SER 5 3.529 0.767 -2.345 5 HB2 SER 5 HB2 SER 5 2.953 1.963 -1.127 6 HB2 SER 5 HB2 SER 5 4.892 -0.003 0.019 7 HB3 SER 5 HB3 SER 5 3.817 0.737 -0.199 8 HB3 SER 5 HB3 SER 5 5.432 -1.088 -1.261 9 HG SER 5 HG SER 5 3.708 0.472 -2.981 10 HG SER 5 HG SER 5 6.695 0.797 -1.214 11 H LYS 6 H LYS 6 0.712 -1.919 -2.141 12 H LYS 6 H LYS 6 3.153 -2.414 -0.797 13 HA LYS 6 HA LYS 6 2.203 -4.150 -1.523 14 HA LYS 6 HA LYS 6 2.696 -4.474 -1.647 15 HB2 LYS 6 HB2 LYS 6 1.035 -5.246 -3.452 16 HB2 LYS 6 HB2 LYS 6 1.905 -3.130 -4.224 17 HB3 LYS 6 HB3 LYS 6 -0.033 -4.402 -2.340 18 HB3 LYS 6 HB3 LYS 6 1.316 -4.653 -3.568 19 HG2 LYS 6 HG2 LYS 6 0.129 -2.435 -3.964 20 HG2 LYS 6 HG2 LYS 6 0.258 -3.383 -1.717 21 HG3 LYS 6 HG3 LYS 6 0.803 -3.603 -5.103 22 HG3 LYS 6 HG3 LYS 6 0.746 -1.889 -2.520 23 HD2 LYS 6 HD2 LYS 6 -1.495 -3.571 -5.574 24 HD2 LYS 6 HD2 LYS 6 -1.272 -2.028 -3.504 25 HD3 LYS 6 HD3 LYS 6 -1.261 -5.023 -4.595 26 HD3 LYS 6 HD3 LYS 6 -0.481 -3.205 -4.556 27 HE2 LYS 6 HE2 LYS 6 -2.991 -4.205 -3.412 28 HE2 LYS 6 HE2 LYS 6 -2.348 -4.373 -3.887 29 HE3 LYS 6 HE3 LYS 6 -1.756 -3.190 -2.669 30 HE3 LYS 6 HE3 LYS 6 -1.163 -4.900 -2.693 31 HZ1 LYS 6 HZ1 LYS 6 -2.628 -1.972 -5.044 32 HZ1 LYS 6 HZ1 LYS 6 -3.472 -4.154 -1.899 33 HZ2 LYS 6 HZ2 LYS 6 -3.989 -2.381 -4.125 34 HZ2 LYS 6 HZ2 LYS 6 -2.113 -3.602 -1.054 35 HZ3 LYS 6 HZ3 LYS 6 -2.777 -1.409 -3.455 36 HZ3 LYS 6 HZ3 LYS 6 -2.900 -2.582 -2.150 37 H LEU 7 H LEU 7 4.342 -4.258 -1.887 38 H LEU 7 H LEU 7 5.157 -4.460 -1.581 39 HA LEU 7 HA LEU 7 5.246 -4.442 -4.629 40 HA LEU 7 HA LEU 7 6.104 -5.467 -4.137 41 HB2 LEU 7 HB2 LEU 7 5.678 -2.079 -3.054 42 HB2 LEU 7 HB2 LEU 7 7.646 -3.341 -2.662 43 HB3 LEU 7 HB3 LEU 7 7.218 -2.854 -3.417 44 HB3 LEU 7 HB3 LEU 7 8.092 -4.115 -4.182 45 HG LEU 7 HG LEU 7 6.323 -2.858 -5.867 46 HG LEU 7 HG LEU 7 5.656 -2.370 -3.857 47 HD11 LEU 7 HD11 LEU 7 4.378 -1.181 -4.440 48 HD11 LEU 7 HD11 LEU 7 8.490 -1.684 -4.522 49 HD12 LEU 7 HD12 LEU 7 5.039 -0.478 -5.917 50 HD12 LEU 7 HD12 LEU 7 7.157 -0.757 -5.209 51 HD13 LEU 7 HD13 LEU 7 4.231 -2.045 -5.970 52 HD13 LEU 7 HD13 LEU 7 7.355 -0.851 -3.460 53 HD21 LEU 7 HD21 LEU 7 8.256 -1.642 -5.454 54 HD21 LEU 7 HD21 LEU 7 5.361 -2.560 -6.114 55 HD22 LEU 7 HD22 LEU 7 7.138 -0.410 -6.039 56 HD22 LEU 7 HD22 LEU 7 7.070 -2.867 -6.425 57 HD23 LEU 7 HD23 LEU 7 7.455 -0.563 -4.311 58 HD23 LEU 7 HD23 LEU 7 6.048 -4.147 -5.770 59 HA PRO 8 HA PRO 8 7.885 -7.512 -2.928 60 HA PRO 8 HA PRO 8 8.162 -8.394 -1.589 61 HB2 PRO 8 HB2 PRO 8 9.944 -7.456 -4.697 62 HB2 PRO 8 HB2 PRO 8 10.252 -9.071 -3.183 63 HB3 PRO 8 HB3 PRO 8 8.356 -8.127 -5.091 64 HB3 PRO 8 HB3 PRO 8 8.590 -9.577 -3.511 65 HG2 PRO 8 HG2 PRO 8 9.490 -5.436 -5.749 66 HG2 PRO 8 HG2 PRO 8 10.156 -7.321 -4.705 67 HG3 PRO 8 HG3 PRO 8 8.553 -6.536 -6.775 68 HG3 PRO 8 HG3 PRO 8 9.084 -8.487 -5.505 69 HD2 PRO 8 HD2 PRO 8 7.447 -4.391 -5.548 70 HD2 PRO 8 HD2 PRO 8 8.299 -5.969 -4.890 71 HD3 PRO 8 HD3 PRO 8 6.543 -5.889 -5.850 72 HD3 PRO 8 HD3 PRO 8 7.178 -7.345 -4.891 73 HA PRO 9 HA PRO 9 10.871 -5.570 -0.333 74 HA PRO 9 HA PRO 9 11.544 -6.674 0.633 75 HB2 PRO 9 HB2 PRO 9 12.393 -7.726 0.307 76 HB2 PRO 9 HB2 PRO 9 13.153 -8.809 1.105 77 HB3 PRO 9 HB3 PRO 9 10.771 -7.466 0.961 78 HB3 PRO 9 HB3 PRO 9 11.594 -8.586 1.907 79 HG2 PRO 9 HG2 PRO 9 11.642 -9.217 -1.306 80 HG2 PRO 9 HG2 PRO 9 12.283 -10.296 -0.451 81 HG3 PRO 9 HG3 PRO 9 10.488 -9.563 -0.005 82 HG3 PRO 9 HG3 PRO 9 11.259 -10.677 0.946 83 HD2 PRO 9 HD2 PRO 9 9.703 -8.849 -2.496 84 HD2 PRO 9 HD2 PRO 9 10.237 -9.950 -1.454 85 HD3 PRO 9 HD3 PRO 9 8.780 -8.415 -1.042 86 HD3 PRO 9 HD3 PRO 9 9.444 -9.548 0.083 87 H GLY 10 H GLY 10 12.811 -4.566 -0.533 88 H GLY 10 H GLY 10 12.829 -5.280 -0.436 89 HA2 GLY 10 HA2 GLY 10 15.092 -4.437 -1.204 90 HA2 GLY 10 HA2 GLY 10 15.258 -5.191 -1.094 91 HA3 GLY 10 HA3 GLY 10 14.762 -5.631 -2.450 92 HA3 GLY 10 HA3 GLY 10 14.837 -6.410 -2.286 93 H TRP 11 H TRP 11 12.307 -4.225 -3.301 94 H TRP 11 H TRP 11 12.215 -5.071 -2.775 95 HA TRP 11 HA TRP 11 13.609 -2.344 -5.085 96 HA TRP 11 HA TRP 11 13.219 -3.138 -4.708 97 HB2 TRP 11 HB2 TRP 11 10.788 -3.423 -4.971 98 HB2 TRP 11 HB2 TRP 11 10.581 -4.542 -4.340 99 HB3 TRP 11 HB3 TRP 11 11.339 -2.257 -6.171 100 HB3 TRP 11 HB3 TRP 11 10.751 -3.184 -5.448 101 HD1 TRP 11 HD1 TRP 11 11.479 -5.944 -5.300 102 HD1 TRP 11 HD1 TRP 11 11.997 -6.791 -4.946 103 HE1 TRP 11 HE1 TRP 11 12.589 -7.227 -7.236 104 HE1 TRP 11 HE1 TRP 11 12.802 -7.693 -7.218 105 HE3 TRP 11 HE3 TRP 11 13.132 -1.973 -8.063 106 HE3 TRP 11 HE3 TRP 11 11.579 -2.512 -7.711 107 HZ2 TRP 11 HZ2 TRP 11 13.981 -6.634 -9.618 108 HZ2 TRP 11 HZ2 TRP 11 13.206 -6.718 -9.837 109 HZ3 TRP 11 HZ3 TRP 11 14.345 -2.417 -10.157 110 HZ3 TRP 11 HZ3 TRP 11 12.195 -2.580 -10.092 111 HH2 TRP 11 HH2 TRP 11 14.760 -4.699 -10.917 112 HH2 TRP 11 HH2 TRP 11 12.992 -4.642 -11.130 113 H GLU 12 H GLU 12 12.827 -0.190 -5.443 114 H GLU 12 H GLU 12 12.841 -0.987 -4.654 115 HA GLU 12 HA GLU 12 11.232 0.966 -3.276 116 HA GLU 12 HA GLU 12 11.048 0.054 -2.571 117 HB2 GLU 12 HB2 GLU 12 13.920 2.021 -4.172 118 HB2 GLU 12 HB2 GLU 12 13.335 0.206 -1.722 119 HB3 GLU 12 HB3 GLU 12 12.830 2.845 -3.067 120 HB3 GLU 12 HB3 GLU 12 13.835 1.056 -3.176 121 HG2 GLU 12 HG2 GLU 12 13.740 0.079 -2.438 122 HG2 GLU 12 HG2 GLU 12 12.066 2.797 -2.526 123 HG3 GLU 12 HG3 GLU 12 14.821 1.442 -2.154 124 HG3 GLU 12 HG3 GLU 12 12.097 2.024 -0.942 125 H LYS 13 H LYS 13 9.853 2.521 -3.922 126 H LYS 13 H LYS 13 9.511 1.188 -3.535 127 HA LYS 13 HA LYS 13 9.925 3.267 -6.763 128 HA LYS 13 HA LYS 13 9.801 2.216 -6.193 129 HB2 LYS 13 HB2 LYS 13 7.892 2.109 -5.666 130 HB2 LYS 13 HB2 LYS 13 7.658 1.333 -5.327 131 HB3 LYS 13 HB3 LYS 13 7.580 3.672 -4.922 132 HB3 LYS 13 HB3 LYS 13 7.587 2.667 -4.183 133 HG2 LYS 13 HG2 LYS 13 7.218 4.705 -7.012 134 HG2 LYS 13 HG2 LYS 13 7.667 4.203 -6.208 135 HG3 LYS 13 HG3 LYS 13 7.883 3.327 -7.891 136 HG3 LYS 13 HG3 LYS 13 7.342 2.760 -7.171 137 HD2 LYS 13 HD2 LYS 13 5.815 2.524 -8.076 138 HD2 LYS 13 HD2 LYS 13 5.514 2.797 -4.997 139 HD3 LYS 13 HD3 LYS 13 5.794 2.302 -6.324 140 HD3 LYS 13 HD3 LYS 13 5.503 4.395 -5.746 141 HE2 LYS 13 HE2 LYS 13 5.110 4.929 -7.615 142 HE2 LYS 13 HE2 LYS 13 4.802 3.568 -7.795 143 HE3 LYS 13 HE3 LYS 13 3.904 3.670 -7.359 144 HE3 LYS 13 HE3 LYS 13 5.373 1.938 -7.446 145 HZ1 LYS 13 HZ1 LYS 13 3.669 4.814 -5.432 146 HZ1 LYS 13 HZ1 LYS 13 3.303 1.457 -6.865 147 HZ2 LYS 13 HZ2 LYS 13 4.908 3.774 -4.939 148 HZ2 LYS 13 HZ2 LYS 13 3.467 2.491 -5.534 149 HZ3 LYS 13 HZ3 LYS 13 5.271 5.358 -5.407 150 HZ3 LYS 13 HZ3 LYS 13 2.815 3.073 -6.983 151 H ARG 14 H ARG 14 10.243 5.317 -7.376 152 H ARG 14 H ARG 14 10.681 4.091 -6.738 153 HA ARG 14 HA ARG 14 9.889 7.469 -5.420 154 HA ARG 14 HA ARG 14 10.630 6.292 -4.778 155 HB2 ARG 14 HB2 ARG 14 12.344 7.326 -7.162 156 HB2 ARG 14 HB2 ARG 14 12.844 5.251 -6.487 157 HB3 ARG 14 HB3 ARG 14 12.032 8.412 -5.816 158 HB3 ARG 14 HB3 ARG 14 12.779 6.979 -6.166 159 HG2 ARG 14 HG2 ARG 14 12.203 5.451 -5.411 160 HG2 ARG 14 HG2 ARG 14 12.401 5.747 -3.687 161 HG3 ARG 14 HG3 ARG 14 13.649 6.462 -5.456 162 HG3 ARG 14 HG3 ARG 14 13.691 4.842 -4.482 163 HD2 ARG 14 HD2 ARG 14 11.318 6.715 -3.561 164 HD2 ARG 14 HD2 ARG 14 15.031 6.461 -3.703 165 HD3 ARG 14 HD3 ARG 14 12.944 6.158 -3.167 166 HD3 ARG 14 HD3 ARG 14 14.393 7.414 -5.042 167 HE ARG 14 HE ARG 14 13.399 8.622 -4.139 168 HE ARG 14 HE ARG 14 13.332 8.740 -3.521 169 HH11 ARG 14 HH11 ARG 14 11.168 7.418 -1.752 170 HH11 ARG 14 HH11 ARG 14 14.111 5.706 -2.002 171 HH12 ARG 14 HH12 ARG 14 11.152 8.887 -0.835 172 HH12 ARG 14 HH12 ARG 14 13.584 6.209 -0.430 173 HH21 ARG 14 HH21 ARG 14 13.386 10.563 -2.939 174 HH21 ARG 14 HH21 ARG 14 12.634 9.413 -1.457 175 HH22 ARG 14 HH22 ARG 14 12.414 10.677 -1.512 176 HH22 ARG 14 HH22 ARG 14 12.743 8.317 -0.121 177 H MET 15 H MET 15 9.928 9.637 -6.449 178 H MET 15 H MET 15 10.861 8.469 -5.798 179 HA MET 15 HA MET 15 9.069 9.531 -9.263 180 HA MET 15 HA MET 15 9.629 8.556 -8.469 181 HB2 MET 15 HB2 MET 15 7.314 11.103 -8.834 182 HB2 MET 15 HB2 MET 15 8.187 9.113 -6.296 183 HB3 MET 15 HB3 MET 15 7.151 9.793 -7.673 184 HB3 MET 15 HB3 MET 15 8.949 10.684 -6.501 185 HG2 MET 15 HG2 MET 15 8.662 12.257 -6.934 186 HG2 MET 15 HG2 MET 15 8.024 9.898 -9.038 187 HG3 MET 15 HG3 MET 15 6.900 12.254 -6.902 188 HG3 MET 15 HG3 MET 15 6.730 9.556 -7.893 189 HE1 MET 15 HE1 MET 15 5.517 11.358 -5.571 190 HE1 MET 15 HE1 MET 15 5.579 10.891 -6.596 191 HE2 MET 15 HE2 MET 15 5.722 10.010 -4.452 192 HE2 MET 15 HE2 MET 15 6.311 12.323 -5.871 193 HE3 MET 15 HE3 MET 15 6.001 11.663 -3.903 194 HE3 MET 15 HE3 MET 15 5.078 12.500 -7.119 195 H SER 16 H SER 16 11.668 10.181 -8.091 196 H SER 16 H SER 16 10.277 10.214 -9.819 197 HA SER 16 HA SER 16 13.313 11.760 -8.178 198 HA SER 16 HA SER 16 12.883 11.183 -9.523 199 HB2 SER 16 HB2 SER 16 11.723 12.904 -10.480 200 HB2 SER 16 HB2 SER 16 10.792 11.329 -11.492 201 HB3 SER 16 HB3 SER 16 13.469 12.967 -10.237 202 HB3 SER 16 HB3 SER 16 11.534 12.918 -11.303 203 HG SER 16 HG SER 16 13.183 10.515 -10.266 204 HG SER 16 HG SER 16 13.429 12.137 -11.973 205 H ARG 17 H ARG 17 13.376 14.418 -8.888 206 H ARG 17 H ARG 17 13.006 13.804 -10.122 207 HA ARG 17 HA ARG 17 11.981 15.609 -6.630 208 HA ARG 17 HA ARG 17 12.015 15.055 -7.659 209 HB2 ARG 17 HB2 ARG 17 13.947 16.922 -8.508 210 HB2 ARG 17 HB2 ARG 17 14.415 15.144 -7.896 211 HB3 ARG 17 HB3 ARG 17 13.441 17.497 -6.926 212 HB3 ARG 17 HB3 ARG 17 14.273 15.811 -9.518 213 HG2 ARG 17 HG2 ARG 17 15.455 16.589 -6.389 214 HG2 ARG 17 HG2 ARG 17 12.849 17.544 -7.832 215 HG3 ARG 17 HG3 ARG 17 14.419 15.180 -6.146 216 HG3 ARG 17 HG3 ARG 17 14.359 17.166 -7.001 217 HD2 ARG 17 HD2 ARG 17 15.540 14.050 -7.694 218 HD2 ARG 17 HD2 ARG 17 14.383 17.892 -9.901 219 HD3 ARG 17 HD3 ARG 17 15.202 15.302 -8.888 220 HD3 ARG 17 HD3 ARG 17 14.260 19.155 -8.679 221 HE ARG 17 HE ARG 17 17.645 14.930 -7.394 222 HE ARG 17 HE ARG 17 16.374 17.734 -7.824 223 HH11 ARG 17 HH11 ARG 17 15.705 17.120 -9.281 224 HH11 ARG 17 HH11 ARG 17 15.544 19.058 -10.934 225 HH12 ARG 17 HH12 ARG 17 17.040 18.132 -9.719 226 HH12 ARG 17 HH12 ARG 17 17.191 19.301 -11.416 227 HH21 ARG 17 HH21 ARG 17 19.412 16.255 -7.965 228 HH21 ARG 17 HH21 ARG 17 18.546 18.048 -8.446 229 HH22 ARG 17 HH22 ARG 17 19.148 17.639 -8.971 230 HH22 ARG 17 HH22 ARG 17 18.898 18.725 -10.000 231 H ASN 18 H ASN 18 12.693 17.028 -9.805 232 H ASN 18 H ASN 18 12.995 16.621 -10.671 233 HA ASN 18 HA ASN 18 9.934 18.040 -9.875 234 HA ASN 18 HA ASN 18 10.604 18.260 -10.587 235 HB2 ASN 18 HB2 ASN 18 12.132 19.075 -11.636 236 HB2 ASN 18 HB2 ASN 18 13.240 18.391 -11.918 237 HB3 ASN 18 HB3 ASN 18 10.687 19.902 -11.062 238 HB3 ASN 18 HB3 ASN 18 11.897 19.078 -12.826 239 HD21 ASN 18 HD21 ASN 18 13.903 18.851 -10.256 240 HD21 ASN 18 HD21 ASN 18 12.781 21.146 -12.611 241 HD22 ASN 18 HD22 ASN 18 14.089 19.841 -8.851 242 HD22 ASN 18 HD22 ASN 18 12.685 22.022 -11.124 243 H SER 19 H SER 19 11.409 15.449 -10.933 244 H SER 19 H SER 19 11.781 15.497 -12.260 245 HA SER 19 HA SER 19 10.106 15.510 -13.576 246 HA SER 19 HA SER 19 10.029 15.771 -14.534 247 HB2 SER 19 HB2 SER 19 11.813 14.032 -14.438 248 HB2 SER 19 HB2 SER 19 10.791 13.253 -14.786 249 HB3 SER 19 HB3 SER 19 12.608 15.418 -13.691 250 HB3 SER 19 HB3 SER 19 11.910 14.570 -15.139 251 HG SER 19 HG SER 19 13.266 13.064 -13.194 252 HG SER 19 HG SER 19 13.131 13.720 -13.669 253 H GLY 20 H GLY 20 8.275 14.821 -12.088 254 H GLY 20 H GLY 20 10.027 14.082 -11.456 255 HA2 GLY 20 HA2 GLY 20 8.121 12.454 -10.706 256 HA2 GLY 20 HA2 GLY 20 8.276 13.139 -10.291 257 HA3 GLY 20 HA3 GLY 20 6.775 13.145 -11.600 258 HA3 GLY 20 HA3 GLY 20 7.192 13.752 -11.531 259 H ARG 21 H ARG 21 9.052 10.617 -11.428 260 H ARG 21 H ARG 21 9.462 12.084 -13.177 261 HA ARG 21 HA ARG 21 7.821 9.340 -13.736 262 HA ARG 21 HA ARG 21 7.809 10.054 -14.043 263 HB2 ARG 21 HB2 ARG 21 10.748 9.991 -13.522 264 HB2 ARG 21 HB2 ARG 21 10.332 10.902 -14.673 265 HB3 ARG 21 HB3 ARG 21 10.195 8.611 -14.462 266 HB3 ARG 21 HB3 ARG 21 10.657 9.326 -13.964 267 HG2 ARG 21 HG2 ARG 21 9.165 11.396 -14.912 268 HG2 ARG 21 HG2 ARG 21 10.403 8.817 -16.193 269 HG3 ARG 21 HG3 ARG 21 10.588 10.752 -15.734 270 HG3 ARG 21 HG3 ARG 21 8.786 8.503 -15.558 271 HD2 ARG 21 HD2 ARG 21 7.802 9.600 -15.829 272 HD2 ARG 21 HD2 ARG 21 8.167 10.833 -16.251 273 HD3 ARG 21 HD3 ARG 21 8.592 10.511 -17.115 274 HD3 ARG 21 HD3 ARG 21 9.730 10.938 -17.060 275 HE ARG 21 HE ARG 21 10.149 8.262 -16.379 276 HE ARG 21 HE ARG 21 7.403 9.613 -18.014 277 HH11 ARG 21 HH11 ARG 21 7.270 9.166 -18.115 278 HH11 ARG 21 HH11 ARG 21 10.879 9.443 -17.975 279 HH12 ARG 21 HH12 ARG 21 7.330 7.806 -19.186 280 HH12 ARG 21 HH12 ARG 21 10.984 8.566 -19.467 281 HH21 ARG 21 HH21 ARG 21 10.239 6.466 -17.783 282 HH21 ARG 21 HH21 ARG 21 7.527 8.459 -19.979 283 HH22 ARG 21 HH22 ARG 21 9.019 6.270 -18.996 284 HH22 ARG 21 HH22 ARG 21 9.076 8.009 -20.605 285 H VAL 22 H VAL 22 6.895 7.935 -12.212 286 H VAL 22 H VAL 22 7.293 8.040 -13.377 287 HA VAL 22 HA VAL 22 8.218 6.567 -10.184 288 HA VAL 22 HA VAL 22 8.165 7.267 -10.698 289 HB VAL 22 HB VAL 22 5.753 5.993 -11.776 290 HB VAL 22 HB VAL 22 6.047 5.929 -12.376 291 HG11 VAL 22 HG11 VAL 22 6.579 3.791 -11.554 292 HG11 VAL 22 HG11 VAL 22 6.986 4.694 -10.426 293 HG12 VAL 22 HG12 VAL 22 7.124 4.080 -9.903 294 HG12 VAL 22 HG12 VAL 22 6.414 5.998 -9.386 295 HG13 VAL 22 HG13 VAL 22 5.399 3.996 -10.260 296 HG13 VAL 22 HG13 VAL 22 5.259 5.028 -10.300 297 HG21 VAL 22 HG21 VAL 22 6.103 6.176 -8.796 298 HG21 VAL 22 HG21 VAL 22 6.008 8.526 -11.117 299 HG22 VAL 22 HG22 VAL 22 5.910 7.606 -9.811 300 HG22 VAL 22 HG22 VAL 22 4.800 7.759 -12.147 301 HG23 VAL 22 HG23 VAL 22 4.633 6.392 -9.745 302 HG23 VAL 22 HG23 VAL 22 4.795 7.457 -10.409 303 H TYR 23 H TYR 23 9.483 4.797 -10.085 304 H TYR 23 H TYR 23 9.169 5.344 -10.222 305 HA TYR 23 HA TYR 23 9.735 3.025 -12.371 306 HA TYR 23 HA TYR 23 9.592 3.277 -12.136 307 HB2 TYR 23 HB2 TYR 23 12.244 3.259 -12.352 308 HB2 TYR 23 HB2 TYR 23 11.850 3.560 -12.686 309 HB3 TYR 23 HB3 TYR 23 11.375 4.651 -12.988 310 HB3 TYR 23 HB3 TYR 23 11.191 5.185 -12.828 311 HD1 TYR 23 HD1 TYR 23 12.718 3.405 -9.727 312 HD1 TYR 23 HD1 TYR 23 13.841 3.302 -11.552 313 HD2 TYR 23 HD2 TYR 23 12.043 6.741 -12.280 314 HD2 TYR 23 HD2 TYR 23 11.336 6.599 -10.570 315 HE1 TYR 23 HE1 TYR 23 13.887 4.859 -8.125 316 HE1 TYR 23 HE1 TYR 23 15.547 4.122 -9.980 317 HE2 TYR 23 HE2 TYR 23 13.211 8.205 -10.685 318 HE2 TYR 23 HE2 TYR 23 13.036 7.428 -8.997 319 HH TYR 23 HH TYR 23 14.396 6.968 -7.585 320 HH TYR 23 HH TYR 23 15.094 6.049 -7.618 321 H TYR 24 H TYR 24 11.377 1.242 -11.844 322 H TYR 24 H TYR 24 11.680 1.933 -11.226 323 HA TYR 24 HA TYR 24 11.073 0.522 -9.004 324 HA TYR 24 HA TYR 24 11.300 1.736 -8.311 325 HB2 TYR 24 HB2 TYR 24 10.910 -1.088 -11.519 326 HB2 TYR 24 HB2 TYR 24 11.556 -0.556 -10.269 327 HB3 TYR 24 HB3 TYR 24 11.447 -1.871 -10.037 328 HB3 TYR 24 HB3 TYR 24 11.461 -0.715 -8.519 329 HD1 TYR 24 HD1 TYR 24 9.914 -2.306 -8.235 330 HD1 TYR 24 HD1 TYR 24 9.347 -0.078 -7.344 331 HD2 TYR 24 HD2 TYR 24 8.624 -0.205 -11.702 332 HD2 TYR 24 HD2 TYR 24 9.602 -0.279 -11.585 333 HE1 TYR 24 HE1 TYR 24 7.575 -2.609 -7.540 334 HE1 TYR 24 HE1 TYR 24 6.893 -0.162 -7.481 335 HE2 TYR 24 HE2 TYR 24 6.281 -0.500 -11.016 336 HE2 TYR 24 HE2 TYR 24 7.148 -0.363 -11.735 337 HH TYR 24 HH TYR 24 5.385 -2.574 -8.384 338 HH TYR 24 HH TYR 24 5.240 -0.586 -10.581 339 H PHE 25 H PHE 25 12.921 0.787 -7.946 340 H PHE 25 H PHE 25 13.085 1.135 -7.086 341 HA PHE 25 HA PHE 25 15.422 -0.032 -9.274 342 HA PHE 25 HA PHE 25 15.642 0.883 -8.508 343 HB2 PHE 25 HB2 PHE 25 15.297 2.411 -8.904 344 HB2 PHE 25 HB2 PHE 25 15.161 3.246 -7.609 345 HB3 PHE 25 HB3 PHE 25 15.080 2.125 -7.181 346 HB3 PHE 25 HB3 PHE 25 15.383 2.544 -6.010 347 HD1 PHE 25 HD1 PHE 25 17.436 1.198 -9.922 348 HD1 PHE 25 HD1 PHE 25 17.064 3.021 -9.282 349 HD2 PHE 25 HD2 PHE 25 16.930 2.286 -5.838 350 HD2 PHE 25 HD2 PHE 25 17.517 2.290 -5.114 351 HE1 PHE 25 HE1 PHE 25 19.878 1.192 -9.620 352 HE1 PHE 25 HE1 PHE 25 19.497 3.320 -9.498 353 HE2 PHE 25 HE2 PHE 25 19.370 2.284 -5.530 354 HE2 PHE 25 HE2 PHE 25 19.950 2.589 -5.322 355 HZ PHE 25 HZ PHE 25 20.848 1.736 -7.424 356 HZ PHE 25 HZ PHE 25 20.943 3.105 -7.516 357 H ASN 26 H ASN 26 16.568 -1.583 -8.312 358 H ASN 26 H ASN 26 17.076 -0.531 -7.633 359 HA ASN 26 HA ASN 26 15.722 -2.458 -5.639 360 HA ASN 26 HA ASN 26 16.274 -1.852 -5.123 361 HB2 ASN 26 HB2 ASN 26 15.653 -4.053 -7.630 362 HB2 ASN 26 HB2 ASN 26 16.195 -3.097 -7.471 363 HB3 ASN 26 HB3 ASN 26 17.413 -4.030 -7.581 364 HB3 ASN 26 HB3 ASN 26 17.911 -3.316 -7.141 365 HD21 ASN 26 HD21 ASN 26 15.491 -6.207 -7.124 366 HD21 ASN 26 HD21 ASN 26 14.682 -4.123 -6.195 367 HD22 ASN 26 HD22 ASN 26 15.865 -6.833 -5.558 368 HD22 ASN 26 HD22 ASN 26 15.098 -5.392 -5.098 369 H HIS 27 H HIS 27 16.987 -1.976 -3.981 370 H HIS 27 H HIS 27 18.160 -3.038 -4.080 371 HA HIS 27 HA HIS 27 19.597 -0.865 -4.346 372 HA HIS 27 HA HIS 27 20.682 -1.574 -4.437 373 HB2 HIS 27 HB2 HIS 27 19.566 -0.394 -2.059 374 HB2 HIS 27 HB2 HIS 27 20.863 -1.691 -1.862 375 HB3 HIS 27 HB3 HIS 27 17.860 -0.344 -2.494 376 HB3 HIS 27 HB3 HIS 27 19.825 -0.455 -2.567 377 HD1 HIS 27 HD1 HIS 27 16.338 -2.178 -1.534 378 HD1 HIS 27 HD1 HIS 27 19.790 -3.369 -0.322 379 HD2 HIS 27 HD2 HIS 27 20.320 -2.542 -0.409 380 HD2 HIS 27 HD2 HIS 27 17.015 -1.019 -2.331 381 HE1 HIS 27 HE1 HIS 27 16.360 -3.878 0.319 382 HE1 HIS 27 HE1 HIS 27 17.572 -3.886 0.745 383 H ILE 28 H ILE 28 18.374 -4.025 -3.936 384 H ILE 28 H ILE 28 19.802 -4.247 -5.250 385 HA ILE 28 HA ILE 28 20.826 -5.111 -2.833 386 HA ILE 28 HA ILE 28 21.653 -5.876 -3.635 387 HB ILE 28 HB ILE 28 18.313 -6.479 -3.799 388 HB ILE 28 HB ILE 28 19.298 -6.812 -5.279 389 HG12 ILE 28 HG12 ILE 28 19.381 -5.868 -1.036 390 HG12 ILE 28 HG12 ILE 28 19.749 -6.455 -2.325 391 HG13 ILE 28 HG13 ILE 28 17.939 -5.190 -1.783 392 HG13 ILE 28 HG13 ILE 28 18.413 -5.870 -3.310 393 HG21 ILE 28 HG21 ILE 28 20.889 -7.561 -3.428 394 HG21 ILE 28 HG21 ILE 28 21.249 -8.359 -5.253 395 HG22 ILE 28 HG22 ILE 28 19.905 -8.097 -2.065 396 HG22 ILE 28 HG22 ILE 28 21.107 -8.433 -3.497 397 HG23 ILE 28 HG23 ILE 28 19.377 -8.424 -3.716 398 HG23 ILE 28 HG23 ILE 28 19.794 -9.026 -4.513 399 HD11 ILE 28 HD11 ILE 28 17.176 -6.812 -0.278 400 HD11 ILE 28 HD11 ILE 28 17.710 -8.241 -3.618 401 HD12 ILE 28 HD12 ILE 28 17.053 -7.561 -1.869 402 HD12 ILE 28 HD12 ILE 28 18.944 -8.696 -2.444 403 HD13 ILE 28 HD13 ILE 28 18.387 -7.985 -0.797 404 HD13 ILE 28 HD13 ILE 28 17.610 -7.649 -1.960 405 H THR 29 H THR 29 18.934 -5.675 -5.807 406 H THR 29 H THR 29 20.505 -5.190 -6.910 407 HA THR 29 HA THR 29 21.184 -6.944 -7.093 408 HA THR 29 HA THR 29 23.105 -6.112 -7.930 409 HB THR 29 HB THR 29 19.579 -6.837 -9.127 410 HB THR 29 HB THR 29 22.137 -7.201 -9.806 411 HG1 THR 29 HG1 THR 29 17.502 -6.303 -8.692 412 HG1 THR 29 HG1 THR 29 19.750 -7.222 -9.967 413 HG21 THR 29 HG21 THR 29 19.906 -8.928 -8.106 414 HG21 THR 29 HG21 THR 29 20.678 -8.919 -8.765 415 HG22 THR 29 HG22 THR 29 19.107 -8.424 -6.617 416 HG22 THR 29 HG22 THR 29 22.131 -8.585 -7.823 417 HG23 THR 29 HG23 THR 29 18.158 -8.696 -8.079 418 HG23 THR 29 HG23 THR 29 20.580 -7.915 -7.319 419 H ASN 30 H ASN 30 20.201 -3.770 -6.633 420 H ASN 30 H ASN 30 21.889 -3.446 -7.312 421 HA ASN 30 HA ASN 30 20.876 -1.771 -7.484 422 HA ASN 30 HA ASN 30 21.411 -1.424 -8.345 423 HB2 ASN 30 HB2 ASN 30 23.111 -3.272 -7.406 424 HB2 ASN 30 HB2 ASN 30 24.106 -2.288 -8.610 425 HB3 ASN 30 HB3 ASN 30 23.030 -2.965 -9.139 426 HB3 ASN 30 HB3 ASN 30 23.681 -1.429 -10.087 427 HD21 ASN 30 HD21 ASN 30 21.941 -0.423 -9.134 428 HD21 ASN 30 HD21 ASN 30 21.878 0.412 -9.063 429 HD22 ASN 30 HD22 ASN 30 23.085 0.677 -8.452 430 HD22 ASN 30 HD22 ASN 30 22.727 1.515 -8.039 431 H ALA 31 H ALA 31 19.176 -3.774 -9.079 432 H ALA 31 H ALA 31 19.541 -2.052 -9.557 433 HA ALA 31 HA ALA 31 19.624 -2.861 -11.806 434 HA ALA 31 HA ALA 31 19.879 -1.633 -12.383 435 HB1 ALA 31 HB1 ALA 31 17.720 -4.383 -12.340 436 HB1 ALA 31 HB1 ALA 31 18.748 -4.262 -11.431 437 HB2 ALA 31 HB2 ALA 31 19.093 -5.180 -11.572 438 HB2 ALA 31 HB2 ALA 31 18.767 -3.690 -13.099 439 HB3 ALA 31 HB3 ALA 31 17.648 -4.809 -10.631 440 HB3 ALA 31 HB3 ALA 31 20.283 -4.033 -12.268 441 H SER 32 H SER 32 17.843 -1.970 -13.077 442 H SER 32 H SER 32 18.150 -0.613 -13.220 443 HA SER 32 HA SER 32 15.867 -0.492 -11.484 444 HA SER 32 HA SER 32 15.756 -0.414 -11.519 445 HB2 SER 32 HB2 SER 32 18.083 0.731 -12.547 446 HB2 SER 32 HB2 SER 32 15.343 1.749 -12.678 447 HB3 SER 32 HB3 SER 32 16.885 0.978 -13.817 448 HB3 SER 32 HB3 SER 32 16.876 1.725 -11.805 449 HG SER 32 HG SER 32 15.543 1.579 -11.775 450 HG SER 32 HG SER 32 16.433 1.511 -14.589 451 H GLN 33 H GLN 33 14.044 0.314 -12.766 452 H GLN 33 H GLN 33 13.763 -0.831 -12.343 453 HA GLN 33 HA GLN 33 13.593 -0.497 -15.431 454 HA GLN 33 HA GLN 33 13.535 -1.432 -15.204 455 HB2 GLN 33 HB2 GLN 33 11.642 -2.117 -14.599 456 HB2 GLN 33 HB2 GLN 33 13.117 -3.606 -14.901 457 HB3 GLN 33 HB3 GLN 33 13.261 -2.702 -14.959 458 HB3 GLN 33 HB3 GLN 33 13.659 -3.406 -13.240 459 HG2 GLN 33 HG2 GLN 33 13.780 -3.041 -12.763 460 HG2 GLN 33 HG2 GLN 33 11.380 -2.957 -12.530 461 HG3 GLN 33 HG3 GLN 33 12.667 -1.799 -12.192 462 HG3 GLN 33 HG3 GLN 33 10.822 -3.103 -14.196 463 HE21 GLN 33 HE21 GLN 33 13.035 -5.104 -13.145 464 HE21 GLN 33 HE21 GLN 33 9.410 -4.767 -13.526 465 HE22 GLN 33 HE22 GLN 33 11.483 -5.649 -12.618 466 HE22 GLN 33 HE22 GLN 33 9.992 -6.367 -13.236 467 H PHE 34 H PHE 34 10.925 -0.694 -15.621 468 H PHE 34 H PHE 34 11.517 -1.068 -16.105 469 HA PHE 34 HA PHE 34 9.672 1.338 -13.965 470 HA PHE 34 HA PHE 34 9.784 0.660 -14.527 471 HB2 PHE 34 HB2 PHE 34 9.152 1.904 -16.776 472 HB2 PHE 34 HB2 PHE 34 9.808 -0.014 -17.475 473 HB3 PHE 34 HB3 PHE 34 9.598 3.002 -15.474 474 HB3 PHE 34 HB3 PHE 34 8.668 1.096 -16.720 475 HD1 PHE 34 HD1 PHE 34 11.842 3.718 -15.173 476 HD1 PHE 34 HD1 PHE 34 10.346 2.603 -14.886 477 HD2 PHE 34 HD2 PHE 34 10.898 0.753 -18.079 478 HD2 PHE 34 HD2 PHE 34 11.154 1.263 -18.844 479 HE1 PHE 34 HE1 PHE 34 14.092 3.957 -16.143 480 HE1 PHE 34 HE1 PHE 34 11.947 4.448 -15.180 481 HE2 PHE 34 HE2 PHE 34 13.146 0.987 -19.052 482 HE2 PHE 34 HE2 PHE 34 12.758 3.106 -19.145 483 HZ PHE 34 HZ PHE 34 14.746 2.590 -18.084 484 HZ PHE 34 HZ PHE 34 13.156 4.701 -17.311 485 H GLU 35 H GLU 35 9.351 -1.541 -14.542 486 H GLU 35 H GLU 35 9.584 -2.334 -16.414 487 HA GLU 35 HA GLU 35 6.515 -1.448 -15.294 488 HA GLU 35 HA GLU 35 6.897 -2.875 -16.261 489 HB2 GLU 35 HB2 GLU 35 8.675 -2.989 -16.578 490 HB2 GLU 35 HB2 GLU 35 9.335 -4.593 -16.336 491 HB3 GLU 35 HB3 GLU 35 7.227 -3.913 -16.203 492 HB3 GLU 35 HB3 GLU 35 7.788 -5.361 -16.009 493 HG2 GLU 35 HG2 GLU 35 7.258 -1.352 -17.783 494 HG2 GLU 35 HG2 GLU 35 8.618 -5.244 -18.432 495 HG3 GLU 35 HG3 GLU 35 7.243 -2.969 -18.485 496 HG3 GLU 35 HG3 GLU 35 6.936 -4.837 -18.094 497 H ARG 36 H ARG 36 5.267 -2.323 -13.786 498 H ARG 36 H ARG 36 5.721 -4.408 -14.872 499 HA ARG 36 HA ARG 36 6.055 -3.266 -11.361 500 HA ARG 36 HA ARG 36 6.093 -3.717 -12.100 501 HB2 ARG 36 HB2 ARG 36 3.728 -2.719 -11.913 502 HB2 ARG 36 HB2 ARG 36 3.842 -3.765 -12.895 503 HB3 ARG 36 HB3 ARG 36 3.618 -4.165 -12.907 504 HB3 ARG 36 HB3 ARG 36 4.042 -5.385 -13.551 505 HG2 ARG 36 HG2 ARG 36 4.405 -5.236 -10.553 506 HG2 ARG 36 HG2 ARG 36 3.408 -6.303 -11.639 507 HG3 ARG 36 HG3 ARG 36 3.460 -3.855 -9.994 508 HG3 ARG 36 HG3 ARG 36 4.607 -5.374 -10.735 509 HD2 ARG 36 HD2 ARG 36 1.569 -4.595 -11.350 510 HD2 ARG 36 HD2 ARG 36 3.070 -3.471 -10.662 511 HD3 ARG 36 HD3 ARG 36 2.515 -5.964 -11.932 512 HD3 ARG 36 HD3 ARG 36 1.876 -4.399 -11.566 513 HE ARG 36 HE ARG 36 2.538 -6.166 -9.192 514 HE ARG 36 HE ARG 36 2.454 -4.592 -8.767 515 HH11 ARG 36 HH11 ARG 36 0.113 -6.082 -11.689 516 HH11 ARG 36 HH11 ARG 36 1.269 -6.320 -11.547 517 HH12 ARG 36 HH12 ARG 36 -1.011 -7.065 -10.812 518 HH12 ARG 36 HH12 ARG 36 0.333 -7.441 -10.614 519 HH21 ARG 36 HH21 ARG 36 1.066 -7.461 -8.026 520 HH21 ARG 36 HH21 ARG 36 1.227 -6.062 -7.528 521 HH22 ARG 36 HH22 ARG 36 -0.469 -7.849 -8.728 522 HH22 ARG 36 HH22 ARG 36 0.310 -7.293 -8.328 523 HA PRO 37 HA PRO 37 8.049 -7.087 -12.693 524 HA PRO 37 HA PRO 37 8.662 -7.319 -11.405 525 HB2 PRO 37 HB2 PRO 37 9.340 -7.488 -10.338 526 HB2 PRO 37 HB2 PRO 37 9.211 -6.730 -8.813 527 HB3 PRO 37 HB3 PRO 37 9.925 -6.371 -11.576 528 HB3 PRO 37 HB3 PRO 37 10.021 -5.938 -10.169 529 HG2 PRO 37 HG2 PRO 37 8.377 -5.792 -9.080 530 HG2 PRO 37 HG2 PRO 37 7.734 -4.966 -8.501 531 HG3 PRO 37 HG3 PRO 37 9.761 -4.921 -9.765 532 HG3 PRO 37 HG3 PRO 37 9.160 -4.078 -9.070 533 HD2 PRO 37 HD2 PRO 37 7.211 -4.062 -10.058 534 HD2 PRO 37 HD2 PRO 37 6.742 -3.879 -10.274 535 HD3 PRO 37 HD3 PRO 37 8.456 -3.794 -11.295 536 HD3 PRO 37 HD3 PRO 37 8.269 -3.747 -11.171 537 H SER 38 H SER 38 8.106 -9.299 -11.758 538 H SER 38 H SER 38 7.502 -9.155 -11.298 539 HA SER 38 HA SER 38 6.176 -9.898 -9.683 540 HA SER 38 HA SER 38 6.018 -9.682 -8.820 541 HB2 SER 38 HB2 SER 38 4.799 -9.717 -11.751 542 HB2 SER 38 HB2 SER 38 4.336 -9.095 -10.484 543 HB3 SER 38 HB3 SER 38 5.775 -10.994 -12.477 544 HB3 SER 38 HB3 SER 38 5.013 -10.265 -11.617 545 HG SER 38 HG SER 38 3.780 -11.707 -11.473 546 HG SER 38 HG SER 38 3.940 -11.780 -10.643 547 H GLY 39 H GLY 39 5.948 -12.452 -9.608 548 H GLY 39 H GLY 39 8.587 -10.519 -9.236 549 HA2 GLY 39 HA2 GLY 39 6.982 -14.491 -9.328 550 HA2 GLY 39 HA2 GLY 39 8.199 -13.422 -9.452 551 HA3 GLY 39 HA3 GLY 39 8.180 -13.977 -10.509 552 HA3 GLY 39 HA3 GLY 39 9.469 -12.669 -10.404 Start of MODEL 3 1 H1 SER 5 H SER 5 1.830 0.326 0.466 2 H1 SER 5 H SER 5 3.153 1.176 -0.812 3 HA SER 5 HA SER 5 0.632 -1.086 -0.894 4 HA SER 5 HA SER 5 1.016 -0.027 -1.023 5 HB2 SER 5 HB2 SER 5 2.515 0.283 -2.825 6 HB2 SER 5 HB2 SER 5 1.580 -0.775 -3.603 7 HB3 SER 5 HB3 SER 5 1.119 -0.668 -3.331 8 HB3 SER 5 HB3 SER 5 1.149 0.859 -3.098 9 HG SER 5 HG SER 5 1.234 1.856 -2.240 10 HG SER 5 HG SER 5 3.706 -0.224 -3.602 11 H LYS 6 H LYS 6 0.582 -3.037 -2.086 12 H LYS 6 H LYS 6 3.416 -1.971 -2.786 13 HA LYS 6 HA LYS 6 2.415 -4.968 -1.368 14 HA LYS 6 HA LYS 6 3.124 -4.296 -1.215 15 HB2 LYS 6 HB2 LYS 6 1.430 -6.350 -3.183 16 HB2 LYS 6 HB2 LYS 6 1.901 -5.643 -3.013 17 HB3 LYS 6 HB3 LYS 6 0.220 -5.568 -2.172 18 HB3 LYS 6 HB3 LYS 6 0.929 -4.571 -2.014 19 HG2 LYS 6 HG2 LYS 6 0.576 -3.741 -4.179 20 HG2 LYS 6 HG2 LYS 6 1.023 -2.881 -3.825 21 HG3 LYS 6 HG3 LYS 6 0.752 -5.281 -5.022 22 HG3 LYS 6 HG3 LYS 6 1.869 -4.062 -4.828 23 HD2 LYS 6 HD2 LYS 6 -1.528 -4.932 -5.145 24 HD2 LYS 6 HD2 LYS 6 -0.445 -4.130 -5.419 25 HD3 LYS 6 HD3 LYS 6 -1.396 -5.938 -3.700 26 HD3 LYS 6 HD3 LYS 6 -0.081 -5.600 -4.512 27 HE2 LYS 6 HE2 LYS 6 -1.165 -3.052 -3.215 28 HE2 LYS 6 HE2 LYS 6 -1.293 -4.932 -2.683 29 HE3 LYS 6 HE3 LYS 6 -2.731 -3.568 -3.838 30 HE3 LYS 6 HE3 LYS 6 -1.068 -3.218 -3.025 31 HZ1 LYS 6 HZ1 LYS 6 -2.700 -3.609 -1.430 32 HZ1 LYS 6 HZ1 LYS 6 -3.307 -3.680 -3.482 33 HZ2 LYS 6 HZ2 LYS 6 -2.870 -5.180 -2.036 34 HZ2 LYS 6 HZ2 LYS 6 -2.565 -3.600 -5.000 35 HZ3 LYS 6 HZ3 LYS 6 -1.375 -4.662 -1.432 36 HZ3 LYS 6 HZ3 LYS 6 -2.944 -5.103 -4.323 37 H LEU 7 H LEU 7 4.508 -5.073 -1.826 38 H LEU 7 H LEU 7 5.316 -4.503 -1.442 39 HA LEU 7 HA LEU 7 5.396 -5.002 -4.573 40 HA LEU 7 HA LEU 7 6.228 -5.535 -4.011 41 HB2 LEU 7 HB2 LEU 7 5.666 -2.707 -2.869 42 HB2 LEU 7 HB2 LEU 7 7.727 -3.371 -2.546 43 HB3 LEU 7 HB3 LEU 7 7.258 -3.346 -3.272 44 HB3 LEU 7 HB3 LEU 7 8.195 -4.142 -4.060 45 HG LEU 7 HG LEU 7 6.330 -3.283 -5.722 46 HG LEU 7 HG LEU 7 5.761 -2.397 -3.701 47 HD11 LEU 7 HD11 LEU 7 4.206 -2.563 -5.766 48 HD11 LEU 7 HD11 LEU 7 8.415 -1.599 -3.774 49 HD12 LEU 7 HD12 LEU 7 4.323 -1.796 -4.181 50 HD12 LEU 7 HD12 LEU 7 7.848 -1.388 -5.430 51 HD13 LEU 7 HD13 LEU 7 4.935 -0.964 -5.610 52 HD13 LEU 7 HD13 LEU 7 7.002 -0.597 -4.100 53 HD21 LEU 7 HD21 LEU 7 8.204 -1.999 -5.286 54 HD21 LEU 7 HD21 LEU 7 5.324 -2.674 -5.930 55 HD22 LEU 7 HD22 LEU 7 7.015 -0.782 -5.753 56 HD22 LEU 7 HD22 LEU 7 6.998 -3.065 -6.325 57 HD23 LEU 7 HD23 LEU 7 7.389 -1.042 -4.049 58 HD23 LEU 7 HD23 LEU 7 5.974 -4.267 -5.540 59 HA PRO 8 HA PRO 8 8.263 -7.969 -3.069 60 HA PRO 8 HA PRO 8 8.391 -8.429 -1.515 61 HB2 PRO 8 HB2 PRO 8 10.279 -7.680 -4.864 62 HB2 PRO 8 HB2 PRO 8 10.478 -9.043 -3.138 63 HB3 PRO 8 HB3 PRO 8 8.735 -8.442 -5.267 64 HB3 PRO 8 HB3 PRO 8 8.825 -9.585 -3.451 65 HG2 PRO 8 HG2 PRO 8 9.668 -5.648 -5.802 66 HG2 PRO 8 HG2 PRO 8 10.322 -7.283 -4.645 67 HG3 PRO 8 HG3 PRO 8 8.788 -6.757 -6.871 68 HG3 PRO 8 HG3 PRO 8 9.269 -8.468 -5.442 69 HD2 PRO 8 HD2 PRO 8 7.561 -4.759 -5.517 70 HD2 PRO 8 HD2 PRO 8 8.431 -5.974 -4.797 71 HD3 PRO 8 HD3 PRO 8 6.757 -6.300 -5.881 72 HD3 PRO 8 HD3 PRO 8 7.344 -7.378 -4.795 73 HA PRO 9 HA PRO 9 11.170 -5.968 -0.429 74 HA PRO 9 HA PRO 9 11.752 -6.643 0.686 75 HB2 PRO 9 HB2 PRO 9 12.865 -8.034 0.045 76 HB2 PRO 9 HB2 PRO 9 13.414 -8.744 1.129 77 HB3 PRO 9 HB3 PRO 9 11.246 -7.939 0.748 78 HB3 PRO 9 HB3 PRO 9 11.858 -8.561 1.947 79 HG2 PRO 9 HG2 PRO 9 12.186 -9.481 -1.639 80 HG2 PRO 9 HG2 PRO 9 12.564 -10.241 -0.429 81 HG3 PRO 9 HG3 PRO 9 11.097 -9.990 -0.336 82 HG3 PRO 9 HG3 PRO 9 11.562 -10.653 0.976 83 HD2 PRO 9 HD2 PRO 9 10.195 -9.194 -2.761 84 HD2 PRO 9 HD2 PRO 9 10.501 -9.937 -1.410 85 HD3 PRO 9 HD3 PRO 9 9.281 -8.918 -1.264 86 HD3 PRO 9 HD3 PRO 9 9.714 -9.562 0.137 87 H GLY 10 H GLY 10 13.089 -4.879 -0.541 88 H GLY 10 H GLY 10 13.003 -5.215 -0.378 89 HA2 GLY 10 HA2 GLY 10 15.312 -4.516 -1.276 90 HA2 GLY 10 HA2 GLY 10 15.425 -5.076 -1.060 91 HA3 GLY 10 HA3 GLY 10 15.035 -5.649 -2.591 92 HA3 GLY 10 HA3 GLY 10 15.009 -6.285 -2.265 93 H TRP 11 H TRP 11 12.497 -4.417 -3.363 94 H TRP 11 H TRP 11 12.352 -4.967 -2.683 95 HA TRP 11 HA TRP 11 13.611 -2.314 -5.013 96 HA TRP 11 HA TRP 11 13.303 -2.994 -4.607 97 HB2 TRP 11 HB2 TRP 11 10.865 -3.582 -4.941 98 HB2 TRP 11 HB2 TRP 11 10.704 -4.464 -4.232 99 HB3 TRP 11 HB3 TRP 11 11.355 -2.345 -6.095 100 HB3 TRP 11 HB3 TRP 11 10.817 -3.073 -5.307 101 HD1 TRP 11 HD1 TRP 11 11.716 -6.049 -5.346 102 HD1 TRP 11 HD1 TRP 11 12.102 -6.675 -4.939 103 HE1 TRP 11 HE1 TRP 11 12.883 -7.198 -7.332 104 HE1 TRP 11 HE1 TRP 11 12.914 -7.487 -7.243 105 HE3 TRP 11 HE3 TRP 11 13.094 -1.897 -7.992 106 HE3 TRP 11 HE3 TRP 11 11.678 -2.294 -7.540 107 HZ2 TRP 11 HZ2 TRP 11 14.211 -6.445 -9.705 108 HZ2 TRP 11 HZ2 TRP 11 13.322 -6.412 -9.821 109 HZ3 TRP 11 HZ3 TRP 11 14.310 -2.198 -10.110 110 HZ3 TRP 11 HZ3 TRP 11 12.300 -2.271 -9.921 111 HH2 TRP 11 HH2 TRP 11 14.857 -4.427 -10.947 112 HH2 TRP 11 HH2 TRP 11 13.106 -4.289 -11.036 113 H GLU 12 H GLU 12 12.535 -0.234 -5.278 114 H GLU 12 H GLU 12 12.955 -0.854 -4.465 115 HA GLU 12 HA GLU 12 10.850 0.661 -3.085 116 HA GLU 12 HA GLU 12 11.185 0.117 -2.320 117 HB2 GLU 12 HB2 GLU 12 12.296 2.140 -2.115 118 HB2 GLU 12 HB2 GLU 12 13.734 0.269 -1.904 119 HB3 GLU 12 HB3 GLU 12 13.454 0.920 -2.626 120 HB3 GLU 12 HB3 GLU 12 13.705 1.557 -3.101 121 HG2 GLU 12 HG2 GLU 12 13.897 2.236 -4.662 122 HG2 GLU 12 HG2 GLU 12 11.722 2.395 -1.516 123 HG3 GLU 12 HG3 GLU 12 12.796 3.479 -4.067 124 HG3 GLU 12 HG3 GLU 12 12.685 1.512 -0.334 125 H LYS 13 H LYS 13 9.521 2.318 -3.641 126 H LYS 13 H LYS 13 9.514 1.058 -3.287 127 HA LYS 13 HA LYS 13 9.636 3.187 -6.433 128 HA LYS 13 HA LYS 13 9.657 2.173 -5.914 129 HB2 LYS 13 HB2 LYS 13 7.534 2.199 -5.627 130 HB2 LYS 13 HB2 LYS 13 7.615 1.104 -4.989 131 HB3 LYS 13 HB3 LYS 13 7.419 3.446 -4.393 132 HB3 LYS 13 HB3 LYS 13 7.463 2.434 -3.849 133 HG2 LYS 13 HG2 LYS 13 7.715 4.794 -6.834 134 HG2 LYS 13 HG2 LYS 13 7.631 3.735 -6.253 135 HG3 LYS 13 HG3 LYS 13 6.545 3.503 -7.117 136 HG3 LYS 13 HG3 LYS 13 6.715 2.281 -6.659 137 HD2 LYS 13 HD2 LYS 13 5.860 4.597 -4.636 138 HD2 LYS 13 HD2 LYS 13 5.046 2.778 -5.048 139 HD3 LYS 13 HD3 LYS 13 6.234 5.978 -5.669 140 HD3 LYS 13 HD3 LYS 13 6.035 4.042 -4.313 141 HE2 LYS 13 HE2 LYS 13 4.556 5.460 -7.185 142 HE2 LYS 13 HE2 LYS 13 5.918 5.198 -6.594 143 HE3 LYS 13 HE3 LYS 13 4.485 3.772 -6.680 144 HE3 LYS 13 HE3 LYS 13 4.613 4.069 -6.959 145 HZ1 LYS 13 HZ1 LYS 13 3.653 6.017 -4.932 146 HZ1 LYS 13 HZ1 LYS 13 4.230 6.438 -5.818 147 HZ2 LYS 13 HZ2 LYS 13 2.580 5.192 -5.949 148 HZ2 LYS 13 HZ2 LYS 13 3.203 5.115 -5.576 149 HZ3 LYS 13 HZ3 LYS 13 3.368 4.365 -4.700 150 HZ3 LYS 13 HZ3 LYS 13 4.394 5.481 -4.431 151 H ARG 14 H ARG 14 9.890 5.274 -7.046 152 H ARG 14 H ARG 14 10.511 4.078 -6.387 153 HA ARG 14 HA ARG 14 9.888 7.367 -5.001 154 HA ARG 14 HA ARG 14 10.185 6.281 -4.458 155 HB2 ARG 14 HB2 ARG 14 12.232 6.439 -6.569 156 HB2 ARG 14 HB2 ARG 14 12.566 5.850 -6.271 157 HB3 ARG 14 HB3 ARG 14 12.039 8.177 -6.388 158 HB3 ARG 14 HB3 ARG 14 12.371 7.129 -5.080 159 HG2 ARG 14 HG2 ARG 14 11.672 7.403 -3.840 160 HG2 ARG 14 HG2 ARG 14 12.071 4.501 -3.902 161 HG3 ARG 14 HG3 ARG 14 12.763 6.133 -4.400 162 HG3 ARG 14 HG3 ARG 14 13.630 4.701 -4.705 163 HD2 ARG 14 HD2 ARG 14 14.480 7.612 -4.825 164 HD2 ARG 14 HD2 ARG 14 12.447 6.481 -2.579 165 HD3 ARG 14 HD3 ARG 14 13.390 8.983 -5.022 166 HD3 ARG 14 HD3 ARG 14 13.811 5.381 -2.394 167 HE ARG 14 HE ARG 14 14.533 8.006 -2.562 168 HE ARG 14 HE ARG 14 14.645 7.005 -4.367 169 HH11 ARG 14 HH11 ARG 14 11.985 9.879 -4.020 170 HH11 ARG 14 HH11 ARG 14 13.257 7.636 -1.238 171 HH12 ARG 14 HH12 ARG 14 11.682 10.816 -2.597 172 HH12 ARG 14 HH12 ARG 14 14.091 9.140 -1.027 173 HH21 ARG 14 HH21 ARG 14 14.141 9.234 -0.680 174 HH21 ARG 14 HH21 ARG 14 15.749 8.983 -4.102 175 HH22 ARG 14 HH22 ARG 14 12.908 10.450 -0.697 176 HH22 ARG 14 HH22 ARG 14 15.507 9.906 -2.657 177 H MET 15 H MET 15 10.099 9.575 -6.033 178 H MET 15 H MET 15 10.448 8.464 -5.518 179 HA MET 15 HA MET 15 8.753 9.586 -8.655 180 HA MET 15 HA MET 15 9.165 8.422 -8.170 181 HB2 MET 15 HB2 MET 15 8.238 11.197 -6.179 182 HB2 MET 15 HB2 MET 15 8.037 9.400 -5.945 183 HB3 MET 15 HB3 MET 15 7.839 11.862 -7.757 184 HB3 MET 15 HB3 MET 15 8.932 10.828 -6.445 185 HG2 MET 15 HG2 MET 15 6.838 9.192 -6.819 186 HG2 MET 15 HG2 MET 15 7.160 11.300 -7.698 187 HG3 MET 15 HG3 MET 15 5.977 10.699 -6.520 188 HG3 MET 15 HG3 MET 15 7.744 10.034 -8.776 189 HE1 MET 15 HE1 MET 15 3.899 8.823 -8.596 190 HE1 MET 15 HE1 MET 15 5.112 10.243 -9.544 191 HE2 MET 15 HE2 MET 15 4.051 10.039 -7.328 192 HE2 MET 15 HE2 MET 15 3.772 9.679 -8.544 193 HE3 MET 15 HE3 MET 15 3.570 10.519 -8.955 194 HE3 MET 15 HE3 MET 15 4.586 11.195 -8.156 195 H SER 16 H SER 16 11.624 9.750 -8.011 196 H SER 16 H SER 16 9.848 9.881 -9.735 197 HA SER 16 HA SER 16 13.482 10.972 -8.520 198 HA SER 16 HA SER 16 12.570 10.490 -9.813 199 HB2 SER 16 HB2 SER 16 11.963 12.545 -10.548 200 HB2 SER 16 HB2 SER 16 10.264 10.875 -11.523 201 HB3 SER 16 HB3 SER 16 13.521 11.730 -10.691 202 HB3 SER 16 HB3 SER 16 11.335 12.275 -11.586 203 HG SER 16 HG SER 16 10.943 10.727 -11.025 204 HG SER 16 HG SER 16 12.396 9.678 -11.776 205 H ARG 17 H ARG 17 13.935 13.525 -9.383 206 H ARG 17 H ARG 17 13.055 12.984 -10.587 207 HA ARG 17 HA ARG 17 13.141 15.060 -7.030 208 HA ARG 17 HA ARG 17 12.457 14.560 -8.181 209 HB2 ARG 17 HB2 ARG 17 15.130 15.861 -9.153 210 HB2 ARG 17 HB2 ARG 17 14.816 14.205 -8.514 211 HB3 ARG 17 HB3 ARG 17 14.965 16.520 -7.531 212 HB3 ARG 17 HB3 ARG 17 14.710 14.745 -10.184 213 HG2 ARG 17 HG2 ARG 17 16.691 15.159 -7.088 214 HG2 ARG 17 HG2 ARG 17 13.704 16.833 -8.575 215 HG3 ARG 17 HG3 ARG 17 15.430 13.932 -6.947 216 HG3 ARG 17 HG3 ARG 17 15.205 16.272 -7.834 217 HD2 ARG 17 HD2 ARG 17 16.775 12.847 -8.417 218 HD2 ARG 17 HD2 ARG 17 14.871 17.049 -10.729 219 HD3 ARG 17 HD3 ARG 17 15.847 13.796 -9.577 220 HD3 ARG 17 HD3 ARG 17 15.574 18.071 -9.476 221 HE ARG 17 HE ARG 17 17.777 14.867 -10.129 222 HE ARG 17 HE ARG 17 16.875 15.982 -10.894 223 HH11 ARG 17 HH11 ARG 17 18.123 13.566 -6.918 224 HH11 ARG 17 HH11 ARG 17 16.699 17.523 -7.777 225 HH12 ARG 17 HH12 ARG 17 19.777 14.056 -6.757 226 HH12 ARG 17 HH12 ARG 17 18.322 17.108 -7.334 227 HH21 ARG 17 HH21 ARG 17 19.954 15.517 -9.929 228 HH21 ARG 17 HH21 ARG 17 19.014 15.430 -10.323 229 HH22 ARG 17 HH22 ARG 17 20.817 15.167 -8.469 230 HH22 ARG 17 HH22 ARG 17 19.638 15.918 -8.783 231 H ASN 18 H ASN 18 13.803 16.147 -10.347 232 H ASN 18 H ASN 18 13.537 15.711 -11.340 233 HA ASN 18 HA ASN 18 11.369 17.790 -10.199 234 HA ASN 18 HA ASN 18 11.480 17.753 -11.293 235 HB2 ASN 18 HB2 ASN 18 13.530 18.208 -12.239 236 HB2 ASN 18 HB2 ASN 18 14.034 17.323 -12.698 237 HB3 ASN 18 HB3 ASN 18 12.400 19.377 -11.562 238 HB3 ASN 18 HB3 ASN 18 12.789 18.107 -13.666 239 HD21 ASN 18 HD21 ASN 18 15.388 19.262 -11.788 240 HD21 ASN 18 HD21 ASN 18 15.368 18.837 -12.029 241 HD22 ASN 18 HD22 ASN 18 15.956 19.579 -10.187 242 HD22 ASN 18 HD22 ASN 18 14.918 20.337 -11.301 243 H SER 19 H SER 19 12.056 14.884 -11.229 244 H SER 19 H SER 19 12.036 14.700 -12.766 245 HA SER 19 HA SER 19 10.522 15.159 -13.730 246 HA SER 19 HA SER 19 10.242 15.119 -14.985 247 HB2 SER 19 HB2 SER 19 11.721 13.271 -14.654 248 HB2 SER 19 HB2 SER 19 10.516 12.498 -15.062 249 HB3 SER 19 HB3 SER 19 12.897 14.459 -14.093 250 HB3 SER 19 HB3 SER 19 11.847 13.548 -15.549 251 HG SER 19 HG SER 19 12.283 11.934 -13.076 252 HG SER 19 HG SER 19 12.793 12.212 -14.144 253 H GLY 20 H GLY 20 8.719 14.983 -12.113 254 H GLY 20 H GLY 20 10.099 13.717 -11.771 255 HA2 GLY 20 HA2 GLY 20 8.145 12.833 -10.515 256 HA2 GLY 20 HA2 GLY 20 8.288 13.161 -10.467 257 HA3 GLY 20 HA3 GLY 20 6.923 13.729 -11.405 258 HA3 GLY 20 HA3 GLY 20 7.268 13.945 -11.664 259 H ARG 21 H ARG 21 8.584 10.775 -11.090 260 H ARG 21 H ARG 21 9.106 11.708 -13.256 261 HA ARG 21 HA ARG 21 6.855 9.494 -12.971 262 HA ARG 21 HA ARG 21 6.905 10.018 -13.795 263 HB2 ARG 21 HB2 ARG 21 9.471 10.362 -13.855 264 HB2 ARG 21 HB2 ARG 21 9.693 10.244 -14.636 265 HB3 ARG 21 HB3 ARG 21 9.329 8.612 -13.939 266 HB3 ARG 21 HB3 ARG 21 9.138 8.577 -14.553 267 HG2 ARG 21 HG2 ARG 21 7.565 8.705 -15.458 268 HG2 ARG 21 HG2 ARG 21 7.893 8.790 -16.386 269 HG3 ARG 21 HG3 ARG 21 7.215 10.394 -15.086 270 HG3 ARG 21 HG3 ARG 21 7.232 10.341 -15.862 271 HD2 ARG 21 HD2 ARG 21 8.417 9.849 -17.295 272 HD2 ARG 21 HD2 ARG 21 8.639 10.328 -17.988 273 HD3 ARG 21 HD3 ARG 21 9.038 11.169 -16.304 274 HD3 ARG 21 HD3 ARG 21 9.031 11.539 -16.768 275 HE ARG 21 HE ARG 21 10.979 10.000 -16.080 276 HE ARG 21 HE ARG 21 11.090 10.584 -16.574 277 HH11 ARG 21 HH11 ARG 21 8.441 7.773 -16.927 278 HH11 ARG 21 HH11 ARG 21 8.913 8.246 -17.959 279 HH12 ARG 21 HH12 ARG 21 9.504 6.411 -17.065 280 HH12 ARG 21 HH12 ARG 21 10.149 7.063 -18.229 281 HH21 ARG 21 HH21 ARG 21 12.388 8.216 -16.257 282 HH21 ARG 21 HH21 ARG 21 12.725 9.034 -16.925 283 HH22 ARG 21 HH22 ARG 21 11.749 6.664 -16.683 284 HH22 ARG 21 HH22 ARG 21 12.316 7.510 -17.640 285 H VAL 22 H VAL 22 6.330 7.679 -11.967 286 H VAL 22 H VAL 22 6.513 7.875 -13.207 287 HA VAL 22 HA VAL 22 7.861 6.595 -9.831 288 HA VAL 22 HA VAL 22 7.531 7.161 -10.574 289 HB VAL 22 HB VAL 22 5.465 5.535 -11.322 290 HB VAL 22 HB VAL 22 5.257 6.151 -12.257 291 HG11 VAL 22 HG11 VAL 22 6.653 3.613 -10.533 292 HG11 VAL 22 HG11 VAL 22 6.457 4.860 -9.818 293 HG12 VAL 22 HG12 VAL 22 6.907 4.356 -8.954 294 HG12 VAL 22 HG12 VAL 22 4.806 4.554 -10.356 295 HG13 VAL 22 HG13 VAL 22 5.283 3.888 -9.457 296 HG13 VAL 22 HG13 VAL 22 6.165 4.137 -11.399 297 HG21 VAL 22 HG21 VAL 22 5.270 7.569 -9.830 298 HG21 VAL 22 HG21 VAL 22 3.880 6.989 -10.569 299 HG22 VAL 22 HG22 VAL 22 4.204 6.220 -9.442 300 HG22 VAL 22 HG22 VAL 22 5.192 7.035 -9.392 301 HG23 VAL 22 HG23 VAL 22 5.655 6.502 -8.480 302 HG23 VAL 22 HG23 VAL 22 5.152 8.203 -10.713 303 H TYR 23 H TYR 23 9.154 4.807 -9.736 304 H TYR 23 H TYR 23 8.711 5.358 -10.104 305 HA TYR 23 HA TYR 23 9.501 3.116 -12.066 306 HA TYR 23 HA TYR 23 9.184 3.276 -12.011 307 HB2 TYR 23 HB2 TYR 23 11.974 3.491 -12.104 308 HB2 TYR 23 HB2 TYR 23 11.456 3.657 -12.520 309 HB3 TYR 23 HB3 TYR 23 11.034 4.882 -12.631 310 HB3 TYR 23 HB3 TYR 23 10.674 5.215 -12.762 311 HD1 TYR 23 HD1 TYR 23 11.254 6.964 -11.551 312 HD1 TYR 23 HD1 TYR 23 13.485 3.686 -11.436 313 HD2 TYR 23 HD2 TYR 23 12.906 3.481 -9.750 314 HD2 TYR 23 HD2 TYR 23 10.626 6.692 -10.496 315 HE1 TYR 23 HE1 TYR 23 12.407 8.373 -9.898 316 HE1 TYR 23 HE1 TYR 23 15.093 4.723 -9.891 317 HE2 TYR 23 HE2 TYR 23 14.064 4.880 -8.092 318 HE2 TYR 23 HE2 TYR 23 12.226 7.739 -8.950 319 HH TYR 23 HH TYR 23 14.501 8.141 -8.423 320 HH TYR 23 HH TYR 23 14.849 6.269 -7.745 321 H TYR 24 H TYR 24 11.075 1.334 -11.615 322 H TYR 24 H TYR 24 11.442 2.135 -11.083 323 HA TYR 24 HA TYR 24 10.891 0.568 -8.781 324 HA TYR 24 HA TYR 24 11.068 1.903 -8.175 325 HB2 TYR 24 HB2 TYR 24 10.792 -0.994 -11.333 326 HB2 TYR 24 HB2 TYR 24 11.396 -0.393 -10.119 327 HB3 TYR 24 HB3 TYR 24 11.356 -1.783 -9.864 328 HB3 TYR 24 HB3 TYR 24 11.343 -0.543 -8.366 329 HD1 TYR 24 HD1 TYR 24 9.835 -2.433 -8.155 330 HD1 TYR 24 HD1 TYR 24 9.234 -0.094 -7.148 331 HD2 TYR 24 HD2 TYR 24 8.475 -0.081 -11.430 332 HD2 TYR 24 HD2 TYR 24 9.397 -0.119 -11.400 333 HE1 TYR 24 HE1 TYR 24 7.507 -2.844 -7.476 334 HE1 TYR 24 HE1 TYR 24 6.785 -0.295 -7.235 335 HE2 TYR 24 HE2 TYR 24 6.143 -0.484 -10.759 336 HE2 TYR 24 HE2 TYR 24 6.948 -0.319 -11.498 337 HH TYR 24 HH TYR 24 5.114 -1.257 -8.055 338 HH TYR 24 HH TYR 24 5.063 -0.443 -10.341 339 H PHE 25 H PHE 25 12.727 0.820 -7.708 340 H PHE 25 H PHE 25 12.899 1.311 -6.979 341 HA PHE 25 HA PHE 25 15.256 0.192 -9.086 342 HA PHE 25 HA PHE 25 15.442 1.227 -8.444 343 HB2 PHE 25 HB2 PHE 25 14.977 2.615 -8.567 344 HB2 PHE 25 HB2 PHE 25 14.851 3.543 -7.478 345 HB3 PHE 25 HB3 PHE 25 14.867 2.202 -6.860 346 HB3 PHE 25 HB3 PHE 25 15.151 2.817 -5.903 347 HD1 PHE 25 HD1 PHE 25 16.770 2.477 -5.621 348 HD1 PHE 25 HD1 PHE 25 16.670 3.810 -9.094 349 HD2 PHE 25 HD2 PHE 25 17.128 1.507 -9.750 350 HD2 PHE 25 HD2 PHE 25 17.367 2.309 -5.172 351 HE1 PHE 25 HE1 PHE 25 19.220 2.598 -5.434 352 HE1 PHE 25 HE1 PHE 25 19.078 4.244 -9.360 353 HE2 PHE 25 HE2 PHE 25 19.579 1.624 -9.568 354 HE2 PHE 25 HE2 PHE 25 19.776 2.741 -5.431 355 HZ PHE 25 HZ PHE 25 20.627 2.169 -7.408 356 HZ PHE 25 HZ PHE 25 20.633 3.712 -7.526 357 H ASN 26 H ASN 26 16.516 -1.314 -8.186 358 H ASN 26 H ASN 26 16.954 -0.138 -7.625 359 HA ASN 26 HA ASN 26 15.713 -2.374 -5.565 360 HA ASN 26 HA ASN 26 16.249 -1.560 -5.141 361 HB2 ASN 26 HB2 ASN 26 15.712 -3.873 -7.629 362 HB2 ASN 26 HB2 ASN 26 16.242 -2.736 -7.533 363 HB3 ASN 26 HB3 ASN 26 17.469 -3.763 -7.587 364 HB3 ASN 26 HB3 ASN 26 17.964 -2.879 -7.191 365 HD21 ASN 26 HD21 ASN 26 15.665 -6.055 -7.231 366 HD21 ASN 26 HD21 ASN 26 14.755 -3.777 -6.177 367 HD22 ASN 26 HD22 ASN 26 16.078 -6.736 -5.699 368 HD22 ASN 26 HD22 ASN 26 15.231 -5.090 -5.160 369 H HIS 27 H HIS 27 16.954 -1.892 -3.891 370 H HIS 27 H HIS 27 18.190 -2.639 -4.112 371 HA HIS 27 HA HIS 27 19.507 -0.645 -4.205 372 HA HIS 27 HA HIS 27 20.630 -1.038 -4.449 373 HB2 HIS 27 HB2 HIS 27 19.457 -0.279 -1.902 374 HB2 HIS 27 HB2 HIS 27 20.836 -1.176 -1.888 375 HB3 HIS 27 HB3 HIS 27 17.748 -0.313 -2.323 376 HB3 HIS 27 HB3 HIS 27 19.689 -0.016 -2.554 377 HD1 HIS 27 HD1 HIS 27 16.342 -2.254 -1.413 378 HD1 HIS 27 HD1 HIS 27 19.925 -2.990 -0.390 379 HD2 HIS 27 HD2 HIS 27 20.361 -2.478 -0.387 380 HD2 HIS 27 HD2 HIS 27 16.942 -0.787 -2.265 381 HE1 HIS 27 HE1 HIS 27 16.487 -4.040 0.351 382 HE1 HIS 27 HE1 HIS 27 17.775 -3.702 0.704 383 H ILE 28 H ILE 28 18.452 -3.875 -3.989 384 H ILE 28 H ILE 28 19.896 -3.737 -5.320 385 HA ILE 28 HA ILE 28 20.962 -4.891 -2.936 386 HA ILE 28 HA ILE 28 21.832 -5.301 -3.739 387 HB ILE 28 HB ILE 28 18.511 -6.334 -3.949 388 HB ILE 28 HB ILE 28 19.547 -6.326 -5.426 389 HG12 ILE 28 HG12 ILE 28 19.575 -5.809 -1.167 390 HG12 ILE 28 HG12 ILE 28 19.941 -6.004 -2.461 391 HG13 ILE 28 HG13 ILE 28 18.096 -5.162 -1.869 392 HG13 ILE 28 HG13 ILE 28 18.587 -5.474 -3.452 393 HG21 ILE 28 HG21 ILE 28 20.197 -7.952 -2.308 394 HG21 ILE 28 HG21 ILE 28 21.585 -7.761 -5.402 395 HG22 ILE 28 HG22 ILE 28 19.670 -8.225 -3.969 396 HG22 ILE 28 HG22 ILE 28 21.416 -7.882 -3.650 397 HG23 ILE 28 HG23 ILE 28 21.140 -7.304 -3.651 398 HG23 ILE 28 HG23 ILE 28 20.155 -8.524 -4.703 399 HD11 ILE 28 HD11 ILE 28 17.314 -7.560 -2.068 400 HD11 ILE 28 HD11 ILE 28 19.263 -8.285 -2.636 401 HD12 ILE 28 HD12 ILE 28 18.680 -7.980 -1.032 402 HD12 ILE 28 HD12 ILE 28 17.869 -7.322 -2.145 403 HD13 ILE 28 HD13 ILE 28 17.425 -6.891 -0.439 404 HD13 ILE 28 HD13 ILE 28 18.017 -7.873 -3.814 405 H THR 29 H THR 29 19.070 -5.417 -5.918 406 H THR 29 H THR 29 20.669 -4.586 -7.002 407 HA THR 29 HA THR 29 21.371 -6.498 -7.282 408 HA THR 29 HA THR 29 23.321 -5.335 -8.027 409 HB THR 29 HB THR 29 19.741 -6.385 -9.295 410 HB THR 29 HB THR 29 22.424 -6.430 -9.939 411 HG1 THR 29 HG1 THR 29 17.616 -6.047 -8.787 412 HG1 THR 29 HG1 THR 29 19.878 -5.560 -8.995 413 HG21 THR 29 HG21 THR 29 19.393 -8.110 -6.858 414 HG21 THR 29 HG21 THR 29 20.928 -7.305 -7.466 415 HG22 THR 29 HG22 THR 29 18.425 -8.361 -8.312 416 HG22 THR 29 HG22 THR 29 21.070 -8.262 -8.940 417 HG23 THR 29 HG23 THR 29 20.182 -8.502 -8.387 418 HG23 THR 29 HG23 THR 29 22.511 -7.869 -8.002 419 H ASN 30 H ASN 30 20.235 -3.407 -6.657 420 H ASN 30 H ASN 30 21.964 -2.759 -7.354 421 HA ASN 30 HA ASN 30 20.782 -1.338 -7.421 422 HA ASN 30 HA ASN 30 21.387 -0.740 -8.332 423 HB2 ASN 30 HB2 ASN 30 23.098 -2.713 -7.429 424 HB2 ASN 30 HB2 ASN 30 24.110 -1.443 -8.607 425 HB3 ASN 30 HB3 ASN 30 22.985 -2.329 -9.144 426 HB3 ASN 30 HB3 ASN 30 23.649 -0.642 -10.106 427 HD21 ASN 30 HD21 ASN 30 21.746 0.146 -8.997 428 HD21 ASN 30 HD21 ASN 30 21.734 1.115 -9.106 429 HD22 ASN 30 HD22 ASN 30 22.837 1.275 -8.275 430 HD22 ASN 30 HD22 ASN 30 22.525 2.288 -8.115 431 H ALA 31 H ALA 31 19.179 -3.352 -9.096 432 H ALA 31 H ALA 31 19.532 -1.439 -9.534 433 HA ALA 31 HA ALA 31 19.555 -2.296 -11.782 434 HA ALA 31 HA ALA 31 19.805 -0.925 -12.351 435 HB1 ALA 31 HB1 ALA 31 19.155 -4.652 -11.639 436 HB1 ALA 31 HB1 ALA 31 20.345 -3.309 -12.288 437 HB2 ALA 31 HB2 ALA 31 17.690 -4.395 -10.690 438 HB2 ALA 31 HB2 ALA 31 18.817 -3.636 -11.472 439 HB3 ALA 31 HB3 ALA 31 17.745 -3.897 -12.381 440 HB3 ALA 31 HB3 ALA 31 18.820 -3.018 -13.124 441 H SER 32 H SER 32 17.720 -1.449 -13.001 442 H SER 32 H SER 32 18.011 0.026 -13.129 443 HA SER 32 HA SER 32 15.686 -0.144 -11.327 444 HA SER 32 HA SER 32 15.633 0.032 -11.395 445 HB2 SER 32 HB2 SER 32 17.800 1.248 -12.335 446 HB2 SER 32 HB2 SER 32 15.084 2.206 -12.474 447 HB3 SER 32 HB3 SER 32 16.626 1.431 -13.639 448 HB3 SER 32 HB3 SER 32 16.628 2.240 -11.624 449 HG SER 32 HG SER 32 15.868 2.960 -12.407 450 HG SER 32 HG SER 32 17.608 2.589 -13.452 451 H GLN 33 H GLN 33 13.799 0.604 -12.555 452 H GLN 33 H GLN 33 13.647 -0.445 -12.216 453 HA GLN 33 HA GLN 33 13.345 -0.162 -15.236 454 HA GLN 33 HA GLN 33 13.436 -1.004 -15.089 455 HB2 GLN 33 HB2 GLN 33 11.477 -1.883 -14.383 456 HB2 GLN 33 HB2 GLN 33 13.072 -3.192 -14.814 457 HB3 GLN 33 HB3 GLN 33 13.104 -2.384 -14.826 458 HB3 GLN 33 HB3 GLN 33 13.632 -2.997 -13.159 459 HG2 GLN 33 HG2 GLN 33 13.737 -2.741 -12.655 460 HG2 GLN 33 HG2 GLN 33 11.345 -2.614 -12.418 461 HG3 GLN 33 HG3 GLN 33 12.563 -1.596 -12.011 462 HG3 GLN 33 HG3 GLN 33 10.774 -2.779 -14.078 463 HE21 GLN 33 HE21 GLN 33 13.122 -4.838 -13.076 464 HE21 GLN 33 HE21 GLN 33 9.426 -4.487 -13.373 465 HE22 GLN 33 HE22 GLN 33 11.626 -5.502 -12.523 466 HE22 GLN 33 HE22 GLN 33 10.066 -6.068 -13.100 467 H PHE 34 H PHE 34 10.681 -0.488 -15.376 468 H PHE 34 H PHE 34 11.420 -0.665 -15.991 469 HA PHE 34 HA PHE 34 9.361 1.445 -13.660 470 HA PHE 34 HA PHE 34 9.631 0.985 -14.402 471 HB2 PHE 34 HB2 PHE 34 8.767 2.088 -16.431 472 HB2 PHE 34 HB2 PHE 34 9.683 0.314 -17.350 473 HB3 PHE 34 HB3 PHE 34 9.230 3.154 -15.108 474 HB3 PHE 34 HB3 PHE 34 8.482 1.360 -16.601 475 HD1 PHE 34 HD1 PHE 34 10.499 1.015 -17.820 476 HD1 PHE 34 HD1 PHE 34 10.977 1.654 -18.705 477 HD2 PHE 34 HD2 PHE 34 11.463 3.921 -14.863 478 HD2 PHE 34 HD2 PHE 34 10.059 2.960 -14.760 479 HE1 PHE 34 HE1 PHE 34 12.707 1.335 -18.859 480 HE1 PHE 34 HE1 PHE 34 12.483 3.579 -18.996 481 HE2 PHE 34 HE2 PHE 34 13.672 4.246 -15.896 482 HE2 PHE 34 HE2 PHE 34 11.561 4.887 -15.044 483 HZ PHE 34 HZ PHE 34 14.296 2.953 -17.897 484 HZ PHE 34 HZ PHE 34 12.775 5.199 -17.164 485 H GLU 35 H GLU 35 9.146 -1.419 -14.281 486 H GLU 35 H GLU 35 9.515 -2.017 -16.284 487 HA GLU 35 HA GLU 35 6.303 -1.434 -14.993 488 HA GLU 35 HA GLU 35 6.845 -2.639 -16.104 489 HB2 GLU 35 HB2 GLU 35 8.499 -2.818 -16.401 490 HB2 GLU 35 HB2 GLU 35 9.324 -4.314 -16.164 491 HB3 GLU 35 HB3 GLU 35 7.086 -3.806 -16.054 492 HB3 GLU 35 HB3 GLU 35 7.767 -5.092 -15.919 493 HG2 GLU 35 HG2 GLU 35 5.661 -2.260 -17.234 494 HG2 GLU 35 HG2 GLU 35 8.758 -4.836 -18.313 495 HG3 GLU 35 HG3 GLU 35 7.017 -1.164 -17.495 496 HG3 GLU 35 HG3 GLU 35 7.033 -4.610 -18.030 497 H ARG 36 H ARG 36 5.123 -2.499 -13.547 498 H ARG 36 H ARG 36 5.692 -4.133 -14.700 499 HA ARG 36 HA ARG 36 6.019 -3.506 -11.177 500 HA ARG 36 HA ARG 36 6.097 -3.468 -11.935 501 HB2 ARG 36 HB2 ARG 36 3.659 -3.067 -11.631 502 HB2 ARG 36 HB2 ARG 36 3.840 -3.612 -12.875 503 HB3 ARG 36 HB3 ARG 36 3.600 -4.436 -12.735 504 HB3 ARG 36 HB3 ARG 36 4.091 -5.313 -13.243 505 HG2 ARG 36 HG2 ARG 36 4.309 -5.842 -10.707 506 HG2 ARG 36 HG2 ARG 36 4.521 -5.550 -10.703 507 HG3 ARG 36 HG3 ARG 36 3.833 -4.437 -9.751 508 HG3 ARG 36 HG3 ARG 36 3.699 -3.991 -10.593 509 HD2 ARG 36 HD2 ARG 36 1.598 -4.524 -10.737 510 HD2 ARG 36 HD2 ARG 36 1.761 -4.933 -11.750 511 HD3 ARG 36 HD3 ARG 36 2.075 -5.919 -11.704 512 HD3 ARG 36 HD3 ARG 36 2.584 -6.489 -11.869 513 HE ARG 36 HE ARG 36 2.577 -6.708 -9.160 514 HE ARG 36 HE ARG 36 2.314 -5.492 -9.178 515 HH11 ARG 36 HH11 ARG 36 -0.213 -5.384 -10.767 516 HH11 ARG 36 HH11 ARG 36 0.848 -7.361 -11.724 517 HH12 ARG 36 HH12 ARG 36 -1.350 -6.202 -9.747 518 HH12 ARG 36 HH12 ARG 36 -0.155 -8.278 -10.650 519 HH21 ARG 36 HH21 ARG 36 1.090 -7.790 -7.811 520 HH21 ARG 36 HH21 ARG 36 0.999 -6.694 -7.754 521 HH22 ARG 36 HH22 ARG 36 -0.608 -7.570 -8.066 522 HH22 ARG 36 HH22 ARG 36 -0.069 -7.899 -8.392 523 HA PRO 37 HA PRO 37 8.198 -7.137 -12.722 524 HA PRO 37 HA PRO 37 8.762 -7.010 -11.283 525 HB2 PRO 37 HB2 PRO 37 9.504 -7.616 -10.390 526 HB2 PRO 37 HB2 PRO 37 9.343 -6.403 -8.702 527 HB3 PRO 37 HB3 PRO 37 10.031 -6.394 -11.552 528 HB3 PRO 37 HB3 PRO 37 10.112 -5.597 -10.074 529 HG2 PRO 37 HG2 PRO 37 8.449 -6.055 -9.033 530 HG2 PRO 37 HG2 PRO 37 7.834 -4.672 -8.366 531 HG3 PRO 37 HG3 PRO 37 9.788 -5.071 -9.656 532 HG3 PRO 37 HG3 PRO 37 9.230 -3.755 -8.963 533 HD2 PRO 37 HD2 PRO 37 7.196 -4.331 -9.908 534 HD2 PRO 37 HD2 PRO 37 6.787 -3.611 -10.124 535 HD3 PRO 37 HD3 PRO 37 8.428 -3.920 -11.118 536 HD3 PRO 37 HD3 PRO 37 8.295 -3.447 -11.047 537 H SER 38 H SER 38 5.932 -8.064 -12.704 538 H SER 38 H SER 38 7.223 -8.661 -11.364 539 HA SER 38 HA SER 38 5.327 -9.630 -10.309 540 HA SER 38 HA SER 38 6.282 -9.558 -8.757 541 HB2 SER 38 HB2 SER 38 3.589 -9.746 -12.729 542 HB2 SER 38 HB2 SER 38 4.473 -8.182 -10.054 543 HB3 SER 38 HB3 SER 38 3.143 -9.721 -11.023 544 HB3 SER 38 HB3 SER 38 4.325 -9.643 -11.030 545 HG SER 38 HG SER 38 2.778 -7.748 -12.403 546 HG SER 38 HG SER 38 4.237 -10.604 -8.701 547 H GLY 39 H GLY 39 7.608 -10.503 -11.521 548 H GLY 39 H GLY 39 8.347 -10.728 -9.843 549 HA2 GLY 39 HA2 GLY 39 6.756 -12.920 -12.991 550 HA2 GLY 39 HA2 GLY 39 7.252 -13.219 -10.987 551 HA3 GLY 39 HA3 GLY 39 8.335 -12.165 -13.155 552 HA3 GLY 39 HA3 GLY 39 8.712 -12.490 -11.642 Start of MODEL 4 1 H1 SER 5 H SER 5 -0.270 -0.180 -2.040 2 H1 SER 5 H SER 5 1.732 1.259 -2.278 3 HA SER 5 HA SER 5 2.375 -0.119 -1.434 4 HA SER 5 HA SER 5 3.337 0.052 -1.152 5 HB2 SER 5 HB2 SER 5 0.428 -0.100 0.187 6 HB2 SER 5 HB2 SER 5 1.058 0.231 0.827 7 HB3 SER 5 HB3 SER 5 0.428 -1.860 0.087 8 HB3 SER 5 HB3 SER 5 2.691 -0.271 1.263 9 HG SER 5 HG SER 5 2.577 -0.215 0.948 10 HG SER 5 HG SER 5 3.280 1.838 0.183 11 H LYS 6 H LYS 6 0.513 -2.926 -2.428 12 H LYS 6 H LYS 6 3.157 -1.794 -2.619 13 HA LYS 6 HA LYS 6 2.231 -4.989 -1.811 14 HA LYS 6 HA LYS 6 2.568 -4.214 -1.130 15 HB2 LYS 6 HB2 LYS 6 1.260 -6.174 -3.769 16 HB2 LYS 6 HB2 LYS 6 1.312 -5.156 -3.137 17 HB3 LYS 6 HB3 LYS 6 0.048 -5.424 -2.739 18 HB3 LYS 6 HB3 LYS 6 0.446 -3.998 -2.135 19 HG2 LYS 6 HG2 LYS 6 0.690 -3.499 -4.662 20 HG2 LYS 6 HG2 LYS 6 1.038 -2.226 -3.770 21 HG3 LYS 6 HG3 LYS 6 0.569 -5.028 -5.535 22 HG3 LYS 6 HG3 LYS 6 1.742 -3.474 -4.801 23 HD2 LYS 6 HD2 LYS 6 -1.624 -4.368 -5.575 24 HD2 LYS 6 HD2 LYS 6 -0.504 -2.988 -5.545 25 HD3 LYS 6 HD3 LYS 6 -1.611 -5.297 -4.073 26 HD3 LYS 6 HD3 LYS 6 -0.455 -4.612 -4.857 27 HE2 LYS 6 HE2 LYS 6 -1.917 -3.467 -2.791 28 HE2 LYS 6 HE2 LYS 6 -2.079 -4.055 -3.451 29 HE3 LYS 6 HE3 LYS 6 -0.886 -2.458 -3.805 30 HE3 LYS 6 HE3 LYS 6 -1.044 -2.808 -2.755 31 HZ1 LYS 6 HZ1 LYS 6 -3.503 -3.302 -4.834 32 HZ1 LYS 6 HZ1 LYS 6 -3.168 -1.934 -3.576 33 HZ2 LYS 6 HZ2 LYS 6 -3.439 -2.046 -3.701 34 HZ2 LYS 6 HZ2 LYS 6 -1.848 -1.243 -4.376 35 HZ3 LYS 6 HZ3 LYS 6 -2.615 -1.901 -5.172 36 HZ3 LYS 6 HZ3 LYS 6 -2.773 -2.435 -5.142 37 H LEU 7 H LEU 7 4.333 -5.164 -2.203 38 H LEU 7 H LEU 7 4.995 -3.889 -1.384 39 HA LEU 7 HA LEU 7 5.347 -4.982 -4.884 40 HA LEU 7 HA LEU 7 5.861 -5.310 -3.809 41 HB2 LEU 7 HB2 LEU 7 5.544 -2.718 -3.136 42 HB2 LEU 7 HB2 LEU 7 7.447 -3.136 -2.458 43 HB3 LEU 7 HB3 LEU 7 7.153 -3.357 -3.464 44 HB3 LEU 7 HB3 LEU 7 7.845 -3.977 -3.956 45 HG LEU 7 HG LEU 7 6.287 -3.265 -5.964 46 HG LEU 7 HG LEU 7 5.671 -1.941 -3.509 47 HD11 LEU 7 HD11 LEU 7 4.234 -2.383 -6.074 48 HD11 LEU 7 HD11 LEU 7 6.885 -0.552 -4.924 49 HD12 LEU 7 HD12 LEU 7 4.330 -1.711 -4.447 50 HD12 LEU 7 HD12 LEU 7 8.127 -1.304 -3.923 51 HD13 LEU 7 HD13 LEU 7 5.046 -0.842 -5.804 52 HD13 LEU 7 HD13 LEU 7 7.849 -1.882 -5.564 53 HD21 LEU 7 HD21 LEU 7 7.121 -0.796 -5.924 54 HD21 LEU 7 HD21 LEU 7 5.799 -2.560 -6.221 55 HD22 LEU 7 HD22 LEU 7 7.476 -1.142 -4.232 56 HD22 LEU 7 HD22 LEU 7 5.782 -4.120 -5.400 57 HD23 LEU 7 HD23 LEU 7 8.226 -2.105 -5.505 58 HD23 LEU 7 HD23 LEU 7 4.494 -2.953 -5.101 59 HA PRO 8 HA PRO 8 8.135 -7.991 -3.315 60 HA PRO 8 HA PRO 8 7.897 -8.107 -1.105 61 HB2 PRO 8 HB2 PRO 8 10.223 -7.683 -5.022 62 HB2 PRO 8 HB2 PRO 8 9.992 -8.878 -2.651 63 HB3 PRO 8 HB3 PRO 8 8.694 -8.427 -5.501 64 HB3 PRO 8 HB3 PRO 8 8.329 -9.391 -2.962 65 HG2 PRO 8 HG2 PRO 8 9.661 -5.630 -5.949 66 HG2 PRO 8 HG2 PRO 8 9.914 -7.210 -4.263 67 HG3 PRO 8 HG3 PRO 8 8.821 -6.716 -7.071 68 HG3 PRO 8 HG3 PRO 8 8.840 -8.408 -5.006 69 HD2 PRO 8 HD2 PRO 8 7.549 -4.734 -5.733 70 HD2 PRO 8 HD2 PRO 8 8.067 -5.858 -4.527 71 HD3 PRO 8 HD3 PRO 8 6.753 -6.264 -6.158 72 HD3 PRO 8 HD3 PRO 8 6.937 -7.226 -4.463 73 HA PRO 9 HA PRO 9 10.922 -6.030 -0.519 74 HA PRO 9 HA PRO 9 11.269 -6.280 1.046 75 HB2 PRO 9 HB2 PRO 9 12.546 -8.130 0.046 76 HB2 PRO 9 HB2 PRO 9 12.841 -8.402 1.675 77 HB3 PRO 9 HB3 PRO 9 10.895 -8.001 0.663 78 HB3 PRO 9 HB3 PRO 9 11.276 -8.105 2.441 79 HG2 PRO 9 HG2 PRO 9 11.927 -9.565 -1.671 80 HG2 PRO 9 HG2 PRO 9 11.967 -9.974 0.206 81 HG3 PRO 9 HG3 PRO 9 10.760 -10.051 -0.427 82 HG3 PRO 9 HG3 PRO 9 10.922 -10.249 1.613 83 HD2 PRO 9 HD2 PRO 9 10.004 -9.239 -2.897 84 HD2 PRO 9 HD2 PRO 9 9.938 -9.666 -0.841 85 HD3 PRO 9 HD3 PRO 9 9.017 -8.942 -1.451 86 HD3 PRO 9 HD3 PRO 9 9.134 -9.154 0.656 87 H GLY 10 H GLY 10 12.806 -4.912 -0.599 88 H GLY 10 H GLY 10 12.518 -4.971 -0.188 89 HA2 GLY 10 HA2 GLY 10 15.092 -4.613 -1.193 90 HA2 GLY 10 HA2 GLY 10 14.988 -4.976 -0.792 91 HA3 GLY 10 HA3 GLY 10 14.869 -5.754 -2.509 92 HA3 GLY 10 HA3 GLY 10 14.539 -6.244 -1.922 93 H TRP 11 H TRP 11 12.372 -4.461 -3.386 94 H TRP 11 H TRP 11 11.952 -4.883 -2.498 95 HA TRP 11 HA TRP 11 13.608 -2.413 -5.020 96 HA TRP 11 HA TRP 11 13.000 -3.080 -4.527 97 HB2 TRP 11 HB2 TRP 11 10.855 -3.658 -5.041 98 HB2 TRP 11 HB2 TRP 11 10.340 -4.408 -4.072 99 HB3 TRP 11 HB3 TRP 11 11.355 -2.386 -6.154 100 HB3 TRP 11 HB3 TRP 11 10.506 -3.087 -5.226 101 HD1 TRP 11 HD1 TRP 11 11.723 -6.105 -5.501 102 HD1 TRP 11 HD1 TRP 11 11.724 -6.691 -4.633 103 HE1 TRP 11 HE1 TRP 11 12.947 -7.192 -7.486 104 HE1 TRP 11 HE1 TRP 11 12.472 -7.672 -6.891 105 HE3 TRP 11 HE3 TRP 11 13.149 -1.874 -7.990 106 HE3 TRP 11 HE3 TRP 11 11.290 -2.496 -7.524 107 HZ2 TRP 11 HZ2 TRP 11 14.334 -6.365 -9.802 108 HZ2 TRP 11 HZ2 TRP 11 12.831 -6.785 -9.548 109 HZ3 TRP 11 HZ3 TRP 11 14.422 -2.108 -10.082 110 HZ3 TRP 11 HZ3 TRP 11 11.856 -2.648 -9.914 111 HH2 TRP 11 HH2 TRP 11 15.002 -4.308 -10.968 112 HH2 TRP 11 HH2 TRP 11 12.611 -4.749 -10.903 113 H GLU 12 H GLU 12 12.616 -0.306 -5.342 114 H GLU 12 H GLU 12 13.027 -0.949 -4.294 115 HA GLU 12 HA GLU 12 10.889 0.658 -3.204 116 HA GLU 12 HA GLU 12 11.206 0.266 -2.319 117 HB2 GLU 12 HB2 GLU 12 12.350 2.102 -2.225 118 HB2 GLU 12 HB2 GLU 12 13.769 0.284 -1.917 119 HB3 GLU 12 HB3 GLU 12 13.509 0.888 -2.746 120 HB3 GLU 12 HB3 GLU 12 13.800 1.517 -3.170 121 HG2 GLU 12 HG2 GLU 12 13.937 2.215 -4.779 122 HG2 GLU 12 HG2 GLU 12 11.921 2.596 -1.669 123 HG3 GLU 12 HG3 GLU 12 12.843 3.455 -4.168 124 HG3 GLU 12 HG3 GLU 12 12.702 1.634 -0.416 125 H LYS 13 H LYS 13 9.552 2.261 -3.847 126 H LYS 13 H LYS 13 9.601 1.265 -3.334 127 HA LYS 13 HA LYS 13 9.720 3.075 -6.644 128 HA LYS 13 HA LYS 13 9.857 2.247 -6.021 129 HB2 LYS 13 HB2 LYS 13 7.594 2.160 -5.739 130 HB2 LYS 13 HB2 LYS 13 7.759 1.247 -5.092 131 HB3 LYS 13 HB3 LYS 13 7.502 3.529 -4.638 132 HB3 LYS 13 HB3 LYS 13 7.586 2.669 -4.071 133 HG2 LYS 13 HG2 LYS 13 7.764 4.091 -7.541 134 HG2 LYS 13 HG2 LYS 13 7.961 3.446 -6.812 135 HG3 LYS 13 HG3 LYS 13 6.213 3.500 -6.938 136 HG3 LYS 13 HG3 LYS 13 6.621 2.307 -6.664 137 HD2 LYS 13 HD2 LYS 13 7.112 5.503 -5.151 138 HD2 LYS 13 HD2 LYS 13 5.491 3.697 -5.115 139 HD3 LYS 13 HD3 LYS 13 7.310 6.130 -6.789 140 HD3 LYS 13 HD3 LYS 13 6.913 4.716 -4.884 141 HE2 LYS 13 HE2 LYS 13 5.142 6.734 -6.407 142 HE2 LYS 13 HE2 LYS 13 6.676 5.180 -7.426 143 HE3 LYS 13 HE3 LYS 13 4.886 5.128 -7.086 144 HE3 LYS 13 HE3 LYS 13 5.030 4.588 -7.207 145 HZ1 LYS 13 HZ1 LYS 13 3.617 4.981 -5.223 146 HZ1 LYS 13 HZ1 LYS 13 4.430 6.489 -6.258 147 HZ2 LYS 13 HZ2 LYS 13 5.087 4.457 -4.569 148 HZ2 LYS 13 HZ2 LYS 13 5.756 6.490 -5.206 149 HZ3 LYS 13 HZ3 LYS 13 4.574 6.051 -4.328 150 HZ3 LYS 13 HZ3 LYS 13 5.909 7.138 -6.762 151 H ARG 14 H ARG 14 9.999 5.144 -7.326 152 H ARG 14 H ARG 14 10.888 4.081 -6.452 153 HA ARG 14 HA ARG 14 10.080 7.292 -5.342 154 HA ARG 14 HA ARG 14 10.576 6.335 -4.580 155 HB2 ARG 14 HB2 ARG 14 12.374 6.291 -6.956 156 HB2 ARG 14 HB2 ARG 14 12.873 5.827 -6.478 157 HB3 ARG 14 HB3 ARG 14 12.229 8.030 -6.734 158 HB3 ARG 14 HB3 ARG 14 12.752 7.138 -5.311 159 HG2 ARG 14 HG2 ARG 14 11.894 7.220 -4.197 160 HG2 ARG 14 HG2 ARG 14 12.545 4.376 -4.266 161 HG3 ARG 14 HG3 ARG 14 12.927 5.921 -4.800 162 HG3 ARG 14 HG3 ARG 14 14.126 4.916 -4.838 163 HD2 ARG 14 HD2 ARG 14 14.715 7.288 -5.071 164 HD2 ARG 14 HD2 ARG 14 12.413 6.281 -2.764 165 HD3 ARG 14 HD3 ARG 14 13.721 8.673 -5.521 166 HD3 ARG 14 HD3 ARG 14 13.875 5.345 -2.456 167 HE ARG 14 HE ARG 14 13.634 9.298 -3.311 168 HE ARG 14 HE ARG 14 14.569 7.350 -4.236 169 HH11 ARG 14 HH11 ARG 14 14.923 6.075 -3.567 170 HH11 ARG 14 HH11 ARG 14 13.352 7.098 -0.984 171 HH12 ARG 14 HH12 ARG 14 15.410 5.998 -1.907 172 HH12 ARG 14 HH12 ARG 14 14.094 8.572 -0.454 173 HH21 ARG 14 HH21 ARG 14 14.269 9.208 -1.122 174 HH21 ARG 14 HH21 ARG 14 15.551 9.291 -3.550 175 HH22 ARG 14 HH22 ARG 14 15.037 7.780 -0.517 176 HH22 ARG 14 HH22 ARG 14 15.344 9.818 -1.913 177 H MET 15 H MET 15 10.202 9.458 -6.371 178 H MET 15 H MET 15 10.867 8.508 -5.675 179 HA MET 15 HA MET 15 9.023 9.450 -9.070 180 HA MET 15 HA MET 15 9.539 8.479 -8.306 181 HB2 MET 15 HB2 MET 15 7.645 10.102 -6.798 182 HB2 MET 15 HB2 MET 15 8.661 9.630 -5.871 183 HB3 MET 15 HB3 MET 15 8.228 11.676 -7.322 184 HB3 MET 15 HB3 MET 15 9.109 10.958 -6.932 185 HG2 MET 15 HG2 MET 15 6.487 11.759 -8.683 186 HG2 MET 15 HG2 MET 15 7.659 9.232 -8.550 187 HG3 MET 15 HG3 MET 15 7.270 10.501 -9.638 188 HG3 MET 15 HG3 MET 15 6.804 9.228 -7.010 189 HE1 MET 15 HE1 MET 15 3.416 10.225 -7.342 190 HE1 MET 15 HE1 MET 15 4.769 10.060 -8.169 191 HE2 MET 15 HE2 MET 15 4.682 11.374 -6.908 192 HE2 MET 15 HE2 MET 15 4.825 11.020 -6.691 193 HE3 MET 15 HE3 MET 15 3.966 11.416 -8.519 194 HE3 MET 15 HE3 MET 15 4.413 11.786 -8.225 195 H SER 16 H SER 16 11.788 9.794 -8.335 196 H SER 16 H SER 16 10.116 10.108 -9.795 197 HA SER 16 HA SER 16 13.568 11.193 -8.627 198 HA SER 16 HA SER 16 12.843 10.728 -9.902 199 HB2 SER 16 HB2 SER 16 12.042 12.817 -10.602 200 HB2 SER 16 HB2 SER 16 10.576 11.026 -11.592 201 HB3 SER 16 HB3 SER 16 13.650 12.105 -10.732 202 HB3 SER 16 HB3 SER 16 11.379 12.594 -11.502 203 HG SER 16 HG SER 16 12.325 10.935 -12.058 204 HG SER 16 HG SER 16 13.354 11.428 -12.005 205 H ARG 17 H ARG 17 13.736 13.881 -9.372 206 H ARG 17 H ARG 17 13.164 13.322 -10.622 207 HA ARG 17 HA ARG 17 12.607 15.174 -6.983 208 HA ARG 17 HA ARG 17 12.938 14.669 -8.049 209 HB2 ARG 17 HB2 ARG 17 14.745 16.596 -8.398 210 HB2 ARG 17 HB2 ARG 17 14.904 14.585 -10.040 211 HB3 ARG 17 HB3 ARG 17 14.561 16.256 -6.682 212 HB3 ARG 17 HB3 ARG 17 14.243 16.213 -10.121 213 HG2 ARG 17 HG2 ARG 17 16.433 15.042 -7.141 214 HG2 ARG 17 HG2 ARG 17 14.591 16.296 -7.597 215 HG3 ARG 17 HG3 ARG 17 15.195 13.819 -7.428 216 HG3 ARG 17 HG3 ARG 17 15.581 14.852 -7.810 217 HD2 ARG 17 HD2 ARG 17 15.629 13.724 -9.629 218 HD2 ARG 17 HD2 ARG 17 16.262 16.902 -9.732 219 HD3 ARG 17 HD3 ARG 17 15.819 15.472 -9.763 220 HD3 ARG 17 HD3 ARG 17 16.395 17.500 -8.079 221 HE ARG 17 HE ARG 17 18.008 14.153 -8.439 222 HE ARG 17 HE ARG 17 18.177 16.088 -7.735 223 HH11 ARG 17 HH11 ARG 17 16.680 15.150 -11.498 224 HH11 ARG 17 HH11 ARG 17 16.591 15.275 -10.725 225 HH12 ARG 17 HH12 ARG 17 18.214 15.179 -12.303 226 HH12 ARG 17 HH12 ARG 17 17.839 14.193 -11.245 227 HH21 ARG 17 HH21 ARG 17 20.033 14.187 -9.487 228 HH21 ARG 17 HH21 ARG 17 19.828 14.665 -8.409 229 HH22 ARG 17 HH22 ARG 17 20.121 14.630 -11.158 230 HH22 ARG 17 HH22 ARG 17 19.680 13.846 -9.927 231 H ASN 18 H ASN 18 13.844 16.422 -10.078 232 H ASN 18 H ASN 18 12.825 16.095 -11.292 233 HA ASN 18 HA ASN 18 11.539 18.217 -10.208 234 HA ASN 18 HA ASN 18 10.462 17.625 -10.445 235 HB2 ASN 18 HB2 ASN 18 14.321 18.352 -11.065 236 HB2 ASN 18 HB2 ASN 18 12.501 18.210 -12.603 237 HB3 ASN 18 HB3 ASN 18 13.207 18.839 -12.339 238 HB3 ASN 18 HB3 ASN 18 11.094 19.211 -12.253 239 HD21 ASN 18 HD21 ASN 18 13.056 19.218 -8.822 240 HD21 ASN 18 HD21 ASN 18 14.043 19.678 -12.093 241 HD22 ASN 18 HD22 ASN 18 12.935 20.941 -8.841 242 HD22 ASN 18 HD22 ASN 18 14.303 20.281 -10.495 243 H SER 19 H SER 19 11.855 15.220 -11.032 244 H SER 19 H SER 19 11.297 14.998 -12.275 245 HA SER 19 HA SER 19 10.301 15.519 -13.494 246 HA SER 19 HA SER 19 9.365 15.459 -14.405 247 HB2 SER 19 HB2 SER 19 12.367 15.021 -14.480 248 HB2 SER 19 HB2 SER 19 10.126 12.998 -14.952 249 HB3 SER 19 HB3 SER 19 12.829 13.920 -13.183 250 HB3 SER 19 HB3 SER 19 11.196 14.355 -15.301 251 HG SER 19 HG SER 19 11.901 12.358 -14.228 252 HG SER 19 HG SER 19 11.911 12.346 -13.980 253 H GLY 20 H GLY 20 8.583 15.056 -11.945 254 H GLY 20 H GLY 20 9.741 13.582 -11.468 255 HA2 GLY 20 HA2 GLY 20 8.349 12.813 -10.353 256 HA2 GLY 20 HA2 GLY 20 8.148 12.528 -10.180 257 HA3 GLY 20 HA3 GLY 20 6.993 13.610 -11.136 258 HA3 GLY 20 HA3 GLY 20 6.922 13.172 -11.261 259 H ARG 21 H ARG 21 9.030 10.861 -11.086 260 H ARG 21 H ARG 21 9.093 11.642 -13.186 261 HA ARG 21 HA ARG 21 7.369 9.595 -13.117 262 HA ARG 21 HA ARG 21 7.421 9.649 -14.067 263 HB2 ARG 21 HB2 ARG 21 10.345 9.954 -13.331 264 HB2 ARG 21 HB2 ARG 21 9.910 10.523 -14.765 265 HB3 ARG 21 HB3 ARG 21 9.549 8.579 -14.083 266 HB3 ARG 21 HB3 ARG 21 10.275 8.924 -14.129 267 HG2 ARG 21 HG2 ARG 21 8.671 11.398 -14.608 268 HG2 ARG 21 HG2 ARG 21 9.938 8.521 -16.377 269 HG3 ARG 21 HG3 ARG 21 9.967 10.630 -15.527 270 HG3 ARG 21 HG3 ARG 21 8.368 8.126 -15.673 271 HD2 ARG 21 HD2 ARG 21 7.146 9.597 -15.259 272 HD2 ARG 21 HD2 ARG 21 7.639 10.460 -16.225 273 HD3 ARG 21 HD3 ARG 21 7.802 10.440 -16.662 274 HD3 ARG 21 HD3 ARG 21 9.153 10.656 -17.107 275 HE ARG 21 HE ARG 21 9.490 8.365 -16.394 276 HE ARG 21 HE ARG 21 8.226 9.489 -18.827 277 HH11 ARG 21 HH11 ARG 21 6.016 8.568 -16.467 278 HH11 ARG 21 HH11 ARG 21 6.491 8.718 -15.908 279 HH12 ARG 21 HH12 ARG 21 5.808 6.997 -17.167 280 HH12 ARG 21 HH12 ARG 21 5.307 7.742 -16.714 281 HH21 ARG 21 HH21 ARG 21 9.231 6.295 -17.316 282 HH21 ARG 21 HH21 ARG 21 6.673 8.206 -19.900 283 HH22 ARG 21 HH22 ARG 21 7.638 5.705 -17.648 284 HH22 ARG 21 HH22 ARG 21 5.413 7.451 -18.984 285 H VAL 22 H VAL 22 6.771 7.640 -12.453 286 H VAL 22 H VAL 22 6.676 7.828 -13.215 287 HA VAL 22 HA VAL 22 7.972 6.503 -10.080 288 HA VAL 22 HA VAL 22 7.603 6.890 -10.674 289 HB VAL 22 HB VAL 22 5.649 5.580 -11.774 290 HB VAL 22 HB VAL 22 5.486 5.976 -12.592 291 HG11 VAL 22 HG11 VAL 22 5.166 4.027 -9.913 292 HG11 VAL 22 HG11 VAL 22 6.346 3.896 -11.864 293 HG12 VAL 22 HG12 VAL 22 6.680 3.656 -10.738 294 HG12 VAL 22 HG12 VAL 22 6.539 4.472 -10.208 295 HG13 VAL 22 HG13 VAL 22 6.704 4.472 -9.175 296 HG13 VAL 22 HG13 VAL 22 4.925 4.211 -10.870 297 HG21 VAL 22 HG21 VAL 22 4.240 6.489 -10.138 298 HG21 VAL 22 HG21 VAL 22 5.232 7.876 -10.890 299 HG22 VAL 22 HG22 VAL 22 5.551 6.644 -8.968 300 HG22 VAL 22 HG22 VAL 22 3.982 6.633 -10.923 301 HG23 VAL 22 HG23 VAL 22 5.488 7.714 -10.369 302 HG23 VAL 22 HG23 VAL 22 5.220 6.604 -9.668 303 H TYR 23 H TYR 23 9.190 4.686 -9.947 304 H TYR 23 H TYR 23 8.862 5.170 -10.192 305 HA TYR 23 HA TYR 23 9.502 2.908 -12.199 306 HA TYR 23 HA TYR 23 9.487 3.115 -12.082 307 HB2 TYR 23 HB2 TYR 23 11.993 3.215 -12.270 308 HB2 TYR 23 HB2 TYR 23 11.747 3.586 -12.533 309 HB3 TYR 23 HB3 TYR 23 11.073 4.578 -12.897 310 HB3 TYR 23 HB3 TYR 23 10.927 5.126 -12.764 311 HD1 TYR 23 HD1 TYR 23 13.258 3.404 -10.208 312 HD1 TYR 23 HD1 TYR 23 13.639 3.502 -11.197 313 HD2 TYR 23 HD2 TYR 23 11.010 6.695 -11.697 314 HD2 TYR 23 HD2 TYR 23 10.886 6.703 -10.670 315 HE1 TYR 23 HE1 TYR 23 14.448 4.906 -8.666 316 HE1 TYR 23 HE1 TYR 23 15.177 4.553 -9.590 317 HE2 TYR 23 HE2 TYR 23 12.195 8.207 -10.161 318 HE2 TYR 23 HE2 TYR 23 12.415 7.763 -9.063 319 HH TYR 23 HH TYR 23 14.771 7.014 -8.033 320 HH TYR 23 HH TYR 23 15.459 6.204 -8.121 321 H TYR 24 H TYR 24 11.314 1.247 -11.641 322 H TYR 24 H TYR 24 11.631 1.935 -11.113 323 HA TYR 24 HA TYR 24 11.006 0.553 -8.795 324 HA TYR 24 HA TYR 24 11.229 1.745 -8.203 325 HB2 TYR 24 HB2 TYR 24 11.145 -1.148 -11.271 326 HB2 TYR 24 HB2 TYR 24 11.630 -0.562 -10.118 327 HB3 TYR 24 HB3 TYR 24 11.517 -1.820 -9.688 328 HB3 TYR 24 HB3 TYR 24 11.508 -0.694 -8.368 329 HD1 TYR 24 HD1 TYR 24 8.863 -0.263 -11.731 330 HD1 TYR 24 HD1 TYR 24 9.706 -0.594 -11.457 331 HD2 TYR 24 HD2 TYR 24 9.788 -2.345 -8.138 332 HD2 TYR 24 HD2 TYR 24 9.326 0.042 -7.268 333 HE1 TYR 24 HE1 TYR 24 6.464 -0.630 -11.333 334 HE1 TYR 24 HE1 TYR 24 7.264 -0.809 -11.652 335 HE2 TYR 24 HE2 TYR 24 7.391 -2.720 -7.731 336 HE2 TYR 24 HE2 TYR 24 6.883 -0.173 -7.451 337 HH TYR 24 HH TYR 24 5.295 -2.822 -9.041 338 HH TYR 24 HH TYR 24 5.139 0.130 -9.246 339 H PHE 25 H PHE 25 12.792 0.853 -7.657 340 H PHE 25 H PHE 25 13.049 0.845 -7.021 341 HA PHE 25 HA PHE 25 15.387 0.300 -8.940 342 HA PHE 25 HA PHE 25 15.619 1.086 -8.428 343 HB2 PHE 25 HB2 PHE 25 15.169 2.687 -8.550 344 HB2 PHE 25 HB2 PHE 25 14.855 3.113 -6.937 345 HB3 PHE 25 HB3 PHE 25 14.720 2.404 -6.872 346 HB3 PHE 25 HB3 PHE 25 15.368 2.071 -5.613 347 HD1 PHE 25 HD1 PHE 25 17.494 1.861 -9.286 348 HD1 PHE 25 HD1 PHE 25 17.542 2.222 -4.896 349 HD2 PHE 25 HD2 PHE 25 16.345 2.402 -5.224 350 HD2 PHE 25 HD2 PHE 25 16.609 3.320 -8.901 351 HE1 PHE 25 HE1 PHE 25 19.864 1.993 -8.637 352 HE1 PHE 25 HE1 PHE 25 19.873 2.933 -5.242 353 HE2 PHE 25 HE2 PHE 25 18.713 2.536 -4.568 354 HE2 PHE 25 HE2 PHE 25 18.938 4.031 -9.254 355 HZ PHE 25 HZ PHE 25 20.476 2.332 -6.276 356 HZ PHE 25 HZ PHE 25 20.574 3.838 -7.422 357 H ASN 26 H ASN 26 16.471 -1.327 -8.067 358 H ASN 26 H ASN 26 17.131 -0.405 -7.902 359 HA ASN 26 HA ASN 26 15.720 -2.243 -5.382 360 HA ASN 26 HA ASN 26 16.413 -2.335 -5.794 361 HB2 ASN 26 HB2 ASN 26 15.661 -3.789 -7.436 362 HB2 ASN 26 HB2 ASN 26 16.422 -3.145 -8.207 363 HB3 ASN 26 HB3 ASN 26 17.420 -3.771 -7.345 364 HB3 ASN 26 HB3 ASN 26 18.168 -2.912 -8.182 365 HD21 ASN 26 HD21 ASN 26 15.498 -5.957 -6.980 366 HD21 ASN 26 HD21 ASN 26 16.513 -5.338 -8.471 367 HD22 ASN 26 HD22 ASN 26 15.826 -6.610 -5.414 368 HD22 ASN 26 HD22 ASN 26 17.063 -6.416 -7.236 369 H HIS 27 H HIS 27 17.066 -2.017 -3.719 370 H HIS 27 H HIS 27 17.632 -2.094 -4.048 371 HA HIS 27 HA HIS 27 19.654 -0.797 -4.142 372 HA HIS 27 HA HIS 27 20.310 -0.967 -4.272 373 HB2 HIS 27 HB2 HIS 27 19.732 -0.809 -1.620 374 HB2 HIS 27 HB2 HIS 27 20.238 -0.796 -1.839 375 HB3 HIS 27 HB3 HIS 27 18.381 0.078 -2.320 376 HB3 HIS 27 HB3 HIS 27 18.784 -0.094 -2.544 377 HD1 HIS 27 HD1 HIS 27 19.082 -3.335 -0.804 378 HD1 HIS 27 HD1 HIS 27 16.583 -1.018 -1.777 379 HD2 HIS 27 HD2 HIS 27 15.959 -0.647 -1.336 380 HD2 HIS 27 HD2 HIS 27 19.795 -3.385 -0.620 381 HE1 HIS 27 HE1 HIS 27 17.138 -4.305 0.461 382 HE1 HIS 27 HE1 HIS 27 15.620 -2.741 -0.219 383 H ILE 28 H ILE 28 18.410 -3.945 -3.704 384 H ILE 28 H ILE 28 19.740 -3.674 -5.238 385 HA ILE 28 HA ILE 28 20.813 -5.075 -2.577 386 HA ILE 28 HA ILE 28 21.608 -5.148 -3.500 387 HB ILE 28 HB ILE 28 18.305 -6.335 -3.679 388 HB ILE 28 HB ILE 28 19.494 -6.504 -5.156 389 HG12 ILE 28 HG12 ILE 28 19.425 -5.889 -0.917 390 HG12 ILE 28 HG12 ILE 28 19.324 -5.595 -2.277 391 HG13 ILE 28 HG13 ILE 28 17.885 -5.341 -1.567 392 HG13 ILE 28 HG13 ILE 28 18.288 -5.092 -3.608 393 HG21 ILE 28 HG21 ILE 28 20.680 -7.712 -2.431 394 HG21 ILE 28 HG21 ILE 28 20.033 -8.436 -3.963 395 HG22 ILE 28 HG22 ILE 28 19.157 -8.478 -2.883 396 HG22 ILE 28 HG22 ILE 28 21.595 -7.675 -4.263 397 HG23 ILE 28 HG23 ILE 28 20.208 -7.801 -4.128 398 HG23 ILE 28 HG23 ILE 28 20.834 -7.530 -2.679 399 HD11 ILE 28 HD11 ILE 28 17.280 -7.806 -1.747 400 HD11 ILE 28 HD11 ILE 28 18.134 -7.896 -3.478 401 HD12 ILE 28 HD12 ILE 28 18.681 -8.099 -0.715 402 HD12 ILE 28 HD12 ILE 28 17.989 -7.294 -1.828 403 HD13 ILE 28 HD13 ILE 28 17.349 -7.099 -0.134 404 HD13 ILE 28 HD13 ILE 28 16.889 -6.713 -3.077 405 H THR 29 H THR 29 19.174 -5.165 -5.730 406 H THR 29 H THR 29 20.274 -4.964 -6.795 407 HA THR 29 HA THR 29 21.510 -6.455 -6.918 408 HA THR 29 HA THR 29 22.920 -5.780 -7.809 409 HB THR 29 HB THR 29 20.059 -6.486 -9.002 410 HB THR 29 HB THR 29 21.903 -6.857 -9.675 411 HG1 THR 29 HG1 THR 29 17.838 -6.096 -8.656 412 HG1 THR 29 HG1 THR 29 20.036 -6.171 -10.373 413 HG21 THR 29 HG21 THR 29 18.459 -8.231 -7.948 414 HG21 THR 29 HG21 THR 29 20.429 -8.542 -8.585 415 HG22 THR 29 HG22 THR 29 20.195 -8.532 -7.897 416 HG22 THR 29 HG22 THR 29 21.926 -8.242 -7.703 417 HG23 THR 29 HG23 THR 29 19.364 -7.926 -6.465 418 HG23 THR 29 HG23 THR 29 20.413 -7.534 -7.139 419 H ASN 30 H ASN 30 20.163 -3.359 -6.522 420 H ASN 30 H ASN 30 21.932 -3.076 -7.211 421 HA ASN 30 HA ASN 30 20.785 -1.296 -7.253 422 HA ASN 30 HA ASN 30 21.448 -1.054 -8.270 423 HB2 ASN 30 HB2 ASN 30 23.120 -2.630 -7.065 424 HB2 ASN 30 HB2 ASN 30 24.096 -1.937 -8.432 425 HB3 ASN 30 HB3 ASN 30 23.123 -2.279 -8.791 426 HB3 ASN 30 HB3 ASN 30 23.742 -1.289 -10.031 427 HD21 ASN 30 HD21 ASN 30 21.819 0.175 -8.765 428 HD21 ASN 30 HD21 ASN 30 21.907 0.691 -9.267 429 HD22 ASN 30 HD22 ASN 30 22.840 1.337 -7.995 430 HD22 ASN 30 HD22 ASN 30 22.767 1.920 -8.410 431 H ALA 31 H ALA 31 19.445 -3.477 -9.033 432 H ALA 31 H ALA 31 19.550 -1.593 -9.459 433 HA ALA 31 HA ALA 31 19.915 -2.318 -11.670 434 HA ALA 31 HA ALA 31 19.873 -1.242 -12.293 435 HB1 ALA 31 HB1 ALA 31 18.107 -4.606 -10.907 436 HB1 ALA 31 HB1 ALA 31 20.182 -3.675 -12.080 437 HB2 ALA 31 HB2 ALA 31 18.595 -4.139 -12.536 438 HB2 ALA 31 HB2 ALA 31 18.593 -3.795 -11.324 439 HB3 ALA 31 HB3 ALA 31 19.790 -4.776 -11.405 440 HB3 ALA 31 HB3 ALA 31 18.735 -3.260 -12.998 441 H SER 32 H SER 32 18.575 -0.926 -12.642 442 H SER 32 H SER 32 18.124 -0.271 -13.192 443 HA SER 32 HA SER 32 16.193 -0.076 -11.175 444 HA SER 32 HA SER 32 15.713 -0.037 -11.512 445 HB2 SER 32 HB2 SER 32 16.914 1.386 -13.627 446 HB2 SER 32 HB2 SER 32 15.445 2.253 -12.264 447 HB3 SER 32 HB3 SER 32 16.553 1.998 -12.013 448 HB3 SER 32 HB3 SER 32 17.062 2.060 -11.589 449 HG SER 32 HG SER 32 18.612 2.112 -11.645 450 HG SER 32 HG SER 32 17.576 2.961 -13.440 451 H GLN 33 H GLN 33 14.175 0.249 -12.248 452 H GLN 33 H GLN 33 13.790 -0.412 -12.460 453 HA GLN 33 HA GLN 33 13.764 -0.838 -14.884 454 HA GLN 33 HA GLN 33 13.636 -0.531 -15.380 455 HB2 GLN 33 HB2 GLN 33 13.718 -2.691 -12.903 456 HB2 GLN 33 HB2 GLN 33 12.597 -2.693 -15.387 457 HB3 GLN 33 HB3 GLN 33 12.034 -2.184 -12.904 458 HB3 GLN 33 HB3 GLN 33 14.115 -2.823 -14.508 459 HG2 GLN 33 HG2 GLN 33 12.828 -2.575 -15.596 460 HG2 GLN 33 HG2 GLN 33 13.104 -3.367 -12.587 461 HG3 GLN 33 HG3 GLN 33 13.350 -3.974 -14.660 462 HG3 GLN 33 HG3 GLN 33 11.789 -2.219 -12.835 463 HE21 GLN 33 HE21 GLN 33 11.633 -4.808 -13.116 464 HE21 GLN 33 HE21 GLN 33 10.749 -4.233 -11.835 465 HE22 GLN 33 HE22 GLN 33 10.028 -4.922 -13.748 466 HE22 GLN 33 HE22 GLN 33 10.081 -5.365 -12.955 467 H PHE 34 H PHE 34 11.148 -1.105 -15.077 468 H PHE 34 H PHE 34 11.477 -0.417 -16.218 469 HA PHE 34 HA PHE 34 9.890 1.197 -13.773 470 HA PHE 34 HA PHE 34 9.592 0.803 -14.312 471 HB2 PHE 34 HB2 PHE 34 10.449 0.879 -16.668 472 HB2 PHE 34 HB2 PHE 34 9.683 1.249 -17.299 473 HB3 PHE 34 HB3 PHE 34 8.851 1.484 -16.244 474 HB3 PHE 34 HB3 PHE 34 8.731 2.140 -16.117 475 HD1 PHE 34 HD1 PHE 34 8.558 3.660 -15.280 476 HD1 PHE 34 HD1 PHE 34 9.657 3.942 -14.897 477 HD2 PHE 34 HD2 PHE 34 12.450 2.161 -16.131 478 HD2 PHE 34 HD2 PHE 34 12.145 1.519 -17.357 479 HE1 PHE 34 HE1 PHE 34 9.489 5.918 -14.985 480 HE1 PHE 34 HE1 PHE 34 11.479 5.578 -14.658 481 HE2 PHE 34 HE2 PHE 34 13.387 4.417 -15.835 482 HE2 PHE 34 HE2 PHE 34 13.971 3.150 -17.123 483 HZ PHE 34 HZ PHE 34 11.906 6.299 -15.261 484 HZ PHE 34 HZ PHE 34 13.641 5.183 -15.772 485 H GLU 35 H GLU 35 9.305 -1.420 -16.123 486 H GLU 35 H GLU 35 9.344 -1.765 -14.155 487 HA GLU 35 HA GLU 35 6.544 -1.641 -15.599 488 HA GLU 35 HA GLU 35 6.862 -2.340 -15.563 489 HB2 GLU 35 HB2 GLU 35 8.568 -3.471 -16.856 490 HB2 GLU 35 HB2 GLU 35 9.405 -3.688 -16.091 491 HB3 GLU 35 HB3 GLU 35 6.912 -4.001 -16.601 492 HB3 GLU 35 HB3 GLU 35 8.107 -4.797 -15.675 493 HG2 GLU 35 HG2 GLU 35 7.276 -3.152 -18.863 494 HG2 GLU 35 HG2 GLU 35 8.142 -2.796 -17.918 495 HG3 GLU 35 HG3 GLU 35 6.082 -2.200 -17.980 496 HG3 GLU 35 HG3 GLU 35 8.176 -4.553 -18.048 497 H ARG 36 H ARG 36 5.383 -2.881 -14.202 498 H ARG 36 H ARG 36 5.531 -3.846 -14.510 499 HA ARG 36 HA ARG 36 6.376 -3.521 -11.714 500 HA ARG 36 HA ARG 36 5.574 -3.835 -11.739 501 HB2 ARG 36 HB2 ARG 36 3.984 -3.305 -12.195 502 HB2 ARG 36 HB2 ARG 36 3.526 -4.301 -12.877 503 HB3 ARG 36 HB3 ARG 36 4.029 -4.789 -13.138 504 HB3 ARG 36 HB3 ARG 36 4.218 -5.705 -13.678 505 HG2 ARG 36 HG2 ARG 36 5.033 -5.644 -10.767 506 HG2 ARG 36 HG2 ARG 36 3.619 -7.031 -12.008 507 HG3 ARG 36 HG3 ARG 36 3.901 -4.397 -10.238 508 HG3 ARG 36 HG3 ARG 36 4.414 -5.988 -10.827 509 HD2 ARG 36 HD2 ARG 36 2.123 -5.469 -11.538 510 HD2 ARG 36 HD2 ARG 36 2.449 -4.567 -10.724 511 HD3 ARG 36 HD3 ARG 36 3.257 -6.714 -12.059 512 HD3 ARG 36 HD3 ARG 36 1.659 -5.536 -11.967 513 HE ARG 36 HE ARG 36 3.395 -6.890 -9.379 514 HE ARG 36 HE ARG 36 1.062 -7.022 -10.347 515 HH11 ARG 36 HH11 ARG 36 0.710 -6.812 -11.594 516 HH11 ARG 36 HH11 ARG 36 3.736 -5.125 -9.180 517 HH12 ARG 36 HH12 ARG 36 -0.315 -7.783 -10.589 518 HH12 ARG 36 HH12 ARG 36 3.697 -5.808 -7.589 519 HH21 ARG 36 HH21 ARG 36 2.057 -8.170 -8.048 520 HH21 ARG 36 HH21 ARG 36 1.000 -7.930 -8.255 521 HH22 ARG 36 HH22 ARG 36 0.452 -8.555 -8.573 522 HH22 ARG 36 HH22 ARG 36 2.140 -7.405 -7.064 523 HA PRO 37 HA PRO 37 8.822 -7.114 -12.839 524 HA PRO 37 HA PRO 37 8.916 -6.782 -11.159 525 HB2 PRO 37 HB2 PRO 37 10.001 -7.363 -10.406 526 HB2 PRO 37 HB2 PRO 37 9.123 -6.368 -8.484 527 HB3 PRO 37 HB3 PRO 37 10.523 -6.179 -11.611 528 HB3 PRO 37 HB3 PRO 37 9.821 -5.272 -9.683 529 HG2 PRO 37 HG2 PRO 37 8.764 -5.797 -9.219 530 HG2 PRO 37 HG2 PRO 37 7.256 -5.027 -8.158 531 HG3 PRO 37 HG3 PRO 37 10.073 -4.764 -9.821 532 HG3 PRO 37 HG3 PRO 37 8.473 -3.785 -8.510 533 HD2 PRO 37 HD2 PRO 37 7.461 -4.219 -10.278 534 HD2 PRO 37 HD2 PRO 37 6.168 -4.008 -9.915 535 HD3 PRO 37 HD3 PRO 37 8.740 -3.799 -11.435 536 HD3 PRO 37 HD3 PRO 37 7.681 -3.437 -10.647 537 H SER 38 H SER 38 6.629 -8.195 -12.901 538 H SER 38 H SER 38 7.850 -8.718 -11.530 539 HA SER 38 HA SER 38 5.978 -9.658 -10.453 540 HA SER 38 HA SER 38 6.845 -10.051 -9.144 541 HB2 SER 38 HB2 SER 38 3.911 -10.286 -11.575 542 HB2 SER 38 HB2 SER 38 4.827 -10.875 -10.268 543 HB3 SER 38 HB3 SER 38 4.146 -8.543 -11.712 544 HB3 SER 38 HB3 SER 38 4.826 -9.112 -10.207 545 HG SER 38 HG SER 38 3.520 -9.585 -13.697 546 HG SER 38 HG SER 38 5.396 -9.052 -12.356 547 H GLY 39 H GLY 39 8.380 -10.437 -11.488 548 H GLY 39 H GLY 39 9.224 -10.646 -10.020 549 HA2 GLY 39 HA2 GLY 39 7.781 -12.976 -12.871 550 HA2 GLY 39 HA2 GLY 39 9.469 -12.447 -12.164 551 HA3 GLY 39 HA3 GLY 39 9.320 -12.131 -12.963 552 HA3 GLY 39 HA3 GLY 39 10.574 -12.329 -10.801 Start of MODEL 5 1 H1 SER 5 H SER 5 0.893 -2.223 0.801 2 H1 SER 5 H SER 5 0.127 -0.506 -0.013 3 HA SER 5 HA SER 5 0.109 -1.429 -1.722 4 HA SER 5 HA SER 5 1.304 -0.866 -1.981 5 HB2 SER 5 HB2 SER 5 1.184 0.587 -1.841 6 HB2 SER 5 HB2 SER 5 3.597 -0.651 -2.111 7 HB3 SER 5 HB3 SER 5 2.403 0.128 -0.653 8 HB3 SER 5 HB3 SER 5 3.294 0.237 -0.617 9 HG SER 5 HG SER 5 2.297 -0.874 -3.305 10 HG SER 5 HG SER 5 5.010 -1.404 -0.563 11 H LYS 6 H LYS 6 0.167 -3.528 -2.304 12 H LYS 6 H LYS 6 3.026 -2.797 -2.653 13 HA LYS 6 HA LYS 6 2.028 -5.452 -1.633 14 HA LYS 6 HA LYS 6 2.692 -5.207 -1.147 15 HB2 LYS 6 HB2 LYS 6 1.245 -6.696 -3.607 16 HB2 LYS 6 HB2 LYS 6 1.432 -6.367 -3.048 17 HB3 LYS 6 HB3 LYS 6 -0.091 -5.997 -2.701 18 HB3 LYS 6 HB3 LYS 6 0.501 -5.313 -1.993 19 HG2 LYS 6 HG2 LYS 6 0.496 -4.044 -4.546 20 HG2 LYS 6 HG2 LYS 6 0.652 -3.525 -3.669 21 HG3 LYS 6 HG3 LYS 6 0.745 -5.541 -5.446 22 HG3 LYS 6 HG3 LYS 6 1.540 -4.619 -4.733 23 HD2 LYS 6 HD2 LYS 6 -1.520 -5.038 -5.768 24 HD2 LYS 6 HD2 LYS 6 -0.773 -4.586 -5.400 25 HD3 LYS 6 HD3 LYS 6 -1.521 -6.268 -4.502 26 HD3 LYS 6 HD3 LYS 6 -0.407 -6.159 -4.688 27 HE2 LYS 6 HE2 LYS 6 -1.366 -3.463 -3.597 28 HE2 LYS 6 HE2 LYS 6 -1.759 -5.811 -2.907 29 HE3 LYS 6 HE3 LYS 6 -2.887 -3.954 -4.341 30 HE3 LYS 6 HE3 LYS 6 -1.397 -4.088 -2.832 31 HZ1 LYS 6 HZ1 LYS 6 -2.269 -5.994 -2.631 32 HZ1 LYS 6 HZ1 LYS 6 -3.521 -3.981 -3.566 33 HZ2 LYS 6 HZ2 LYS 6 -1.838 -4.604 -1.767 34 HZ2 LYS 6 HZ2 LYS 6 -2.770 -4.139 -5.074 35 HZ3 LYS 6 HZ3 LYS 6 -3.413 -4.776 -2.361 36 HZ3 LYS 6 HZ3 LYS 6 -3.471 -5.489 -4.333 37 H LEU 7 H LEU 7 4.118 -5.669 -2.045 38 H LEU 7 H LEU 7 5.021 -4.829 -1.496 39 HA LEU 7 HA LEU 7 5.231 -5.190 -4.634 40 HA LEU 7 HA LEU 7 5.882 -6.027 -4.041 41 HB2 LEU 7 HB2 LEU 7 5.220 -3.040 -2.767 42 HB2 LEU 7 HB2 LEU 7 7.379 -3.879 -2.552 43 HB3 LEU 7 HB3 LEU 7 6.881 -3.594 -2.971 44 HB3 LEU 7 HB3 LEU 7 7.819 -4.601 -4.097 45 HG LEU 7 HG LEU 7 6.178 -3.408 -5.546 46 HG LEU 7 HG LEU 7 5.559 -2.698 -3.519 47 HD11 LEU 7 HD11 LEU 7 4.960 -0.999 -5.381 48 HD11 LEU 7 HD11 LEU 7 7.788 -2.507 -5.530 49 HD12 LEU 7 HD12 LEU 7 4.118 -2.520 -5.680 50 HD12 LEU 7 HD12 LEU 7 6.672 -1.241 -5.021 51 HD13 LEU 7 HD13 LEU 7 4.183 -1.853 -4.048 52 HD13 LEU 7 HD13 LEU 7 7.894 -1.842 -3.901 53 HD21 LEU 7 HD21 LEU 7 8.106 -2.318 -4.862 54 HD21 LEU 7 HD21 LEU 7 5.611 -3.144 -6.248 55 HD22 LEU 7 HD22 LEU 7 7.063 -0.984 -5.353 56 HD22 LEU 7 HD22 LEU 7 5.750 -4.759 -5.551 57 HD23 LEU 7 HD23 LEU 7 7.260 -1.366 -3.642 58 HD23 LEU 7 HD23 LEU 7 4.390 -3.724 -5.113 59 HA PRO 8 HA PRO 8 8.030 -8.232 -3.136 60 HA PRO 8 HA PRO 8 8.114 -8.935 -1.622 61 HB2 PRO 8 HB2 PRO 8 10.090 -7.856 -4.864 62 HB2 PRO 8 HB2 PRO 8 10.198 -9.480 -3.272 63 HB3 PRO 8 HB3 PRO 8 8.567 -8.617 -5.336 64 HB3 PRO 8 HB3 PRO 8 8.553 -10.044 -3.586 65 HG2 PRO 8 HG2 PRO 8 9.481 -5.796 -5.745 66 HG2 PRO 8 HG2 PRO 8 10.003 -7.693 -4.741 67 HG3 PRO 8 HG3 PRO 8 8.644 -6.876 -6.875 68 HG3 PRO 8 HG3 PRO 8 8.963 -8.877 -5.556 69 HD2 PRO 8 HD2 PRO 8 7.358 -4.941 -5.485 70 HD2 PRO 8 HD2 PRO 8 8.090 -6.413 -4.852 71 HD3 PRO 8 HD3 PRO 8 6.582 -6.476 -5.927 72 HD3 PRO 8 HD3 PRO 8 7.025 -7.833 -4.873 73 HA PRO 9 HA PRO 9 10.819 -6.274 -0.338 74 HA PRO 9 HA PRO 9 11.472 -7.149 0.585 75 HB2 PRO 9 HB2 PRO 9 12.482 -8.358 0.171 76 HB2 PRO 9 HB2 PRO 9 13.182 -9.227 0.948 77 HB3 PRO 9 HB3 PRO 9 10.837 -8.263 0.810 78 HB3 PRO 9 HB3 PRO 9 11.633 -9.098 1.791 79 HG2 PRO 9 HG2 PRO 9 11.864 -9.773 -1.563 80 HG2 PRO 9 HG2 PRO 9 12.341 -10.697 -0.639 81 HG3 PRO 9 HG3 PRO 9 10.720 -10.297 -0.313 82 HG3 PRO 9 HG3 PRO 9 11.367 -11.168 0.767 83 HD2 PRO 9 HD2 PRO 9 9.920 -9.456 -2.759 84 HD2 PRO 9 HD2 PRO 9 10.260 -10.408 -1.585 85 HD3 PRO 9 HD3 PRO 9 8.949 -9.198 -1.296 86 HD3 PRO 9 HD3 PRO 9 9.485 -10.092 -0.019 87 H GLY 10 H GLY 10 12.795 -5.253 -0.306 88 H GLY 10 H GLY 10 12.671 -5.665 -0.467 89 HA2 GLY 10 HA2 GLY 10 15.024 -4.860 -0.961 90 HA2 GLY 10 HA2 GLY 10 15.076 -5.447 -1.176 91 HA3 GLY 10 HA3 GLY 10 14.810 -5.991 -2.289 92 HA3 GLY 10 HA3 GLY 10 14.681 -6.645 -2.399 93 H TRP 11 H TRP 11 12.301 -4.732 -3.153 94 H TRP 11 H TRP 11 11.963 -5.322 -2.669 95 HA TRP 11 HA TRP 11 13.485 -2.693 -4.814 96 HA TRP 11 HA TRP 11 12.850 -3.284 -4.572 97 HB2 TRP 11 HB2 TRP 11 10.735 -3.928 -4.688 98 HB2 TRP 11 HB2 TRP 11 10.293 -4.852 -4.271 99 HB3 TRP 11 HB3 TRP 11 11.119 -2.593 -5.771 100 HB3 TRP 11 HB3 TRP 11 10.408 -3.454 -5.338 101 HD1 TRP 11 HD1 TRP 11 11.499 -6.327 -5.398 102 HD1 TRP 11 HD1 TRP 11 11.806 -7.015 -4.932 103 HE1 TRP 11 HE1 TRP 11 12.631 -7.287 -7.500 104 HE1 TRP 11 HE1 TRP 11 12.681 -7.807 -7.219 105 HE3 TRP 11 HE3 TRP 11 12.914 -1.949 -7.628 106 HE3 TRP 11 HE3 TRP 11 11.246 -2.668 -7.563 107 HZ2 TRP 11 HZ2 TRP 11 13.950 -6.315 -9.800 108 HZ2 TRP 11 HZ2 TRP 11 13.081 -6.730 -9.799 109 HZ3 TRP 11 HZ3 TRP 11 14.106 -2.052 -9.777 110 HZ3 TRP 11 HZ3 TRP 11 11.899 -2.633 -9.936 111 HH2 TRP 11 HH2 TRP 11 14.613 -4.191 -10.839 112 HH2 TRP 11 HH2 TRP 11 12.797 -4.623 -11.028 113 H GLU 12 H GLU 12 12.692 -0.538 -5.028 114 H GLU 12 H GLU 12 11.932 -1.208 -4.643 115 HA GLU 12 HA GLU 12 11.003 0.491 -2.890 116 HA GLU 12 HA GLU 12 10.099 -0.363 -2.578 117 HB2 GLU 12 HB2 GLU 12 13.641 0.544 -2.422 118 HB2 GLU 12 HB2 GLU 12 11.567 1.285 -1.571 119 HB3 GLU 12 HB3 GLU 12 13.502 2.025 -3.359 120 HB3 GLU 12 HB3 GLU 12 12.269 -0.318 -1.405 121 HG2 GLU 12 HG2 GLU 12 11.888 2.909 -1.801 122 HG2 GLU 12 HG2 GLU 12 13.955 0.113 -2.912 123 HG3 GLU 12 HG3 GLU 12 11.891 1.397 -0.896 124 HG3 GLU 12 HG3 GLU 12 13.059 1.408 -3.704 125 H LYS 13 H LYS 13 9.607 1.908 -3.691 126 H LYS 13 H LYS 13 9.010 1.479 -3.114 127 HA LYS 13 HA LYS 13 9.971 2.899 -6.395 128 HA LYS 13 HA LYS 13 9.339 2.422 -5.827 129 HB2 LYS 13 HB2 LYS 13 7.793 2.063 -5.920 130 HB2 LYS 13 HB2 LYS 13 7.103 1.967 -4.805 131 HB3 LYS 13 HB3 LYS 13 7.677 3.008 -4.441 132 HB3 LYS 13 HB3 LYS 13 7.363 3.335 -3.729 133 HG2 LYS 13 HG2 LYS 13 8.043 4.504 -6.967 134 HG2 LYS 13 HG2 LYS 13 7.826 4.303 -6.314 135 HG3 LYS 13 HG3 LYS 13 6.483 3.722 -6.705 136 HG3 LYS 13 HG3 LYS 13 6.381 3.295 -6.423 137 HD2 LYS 13 HD2 LYS 13 7.443 5.132 -4.346 138 HD2 LYS 13 HD2 LYS 13 5.447 4.537 -4.476 139 HD3 LYS 13 HD3 LYS 13 7.254 6.195 -5.743 140 HD3 LYS 13 HD3 LYS 13 6.848 5.609 -4.543 141 HE2 LYS 13 HE2 LYS 13 5.190 6.162 -4.518 142 HE2 LYS 13 HE2 LYS 13 6.222 6.138 -6.906 143 HE3 LYS 13 HE3 LYS 13 4.955 5.303 -6.040 144 HE3 LYS 13 HE3 LYS 13 4.741 5.215 -6.662 145 HZ1 LYS 13 HZ1 LYS 13 5.170 4.195 -3.312 146 HZ1 LYS 13 HZ1 LYS 13 5.138 7.133 -4.594 147 HZ2 LYS 13 HZ2 LYS 13 3.959 3.944 -4.466 148 HZ2 LYS 13 HZ2 LYS 13 5.114 7.872 -6.116 149 HZ3 LYS 13 HZ3 LYS 13 5.479 3.228 -4.666 150 HZ3 LYS 13 HZ3 LYS 13 3.808 6.919 -5.618 151 H ARG 14 H ARG 14 10.764 4.834 -6.872 152 H ARG 14 H ARG 14 10.213 4.302 -6.467 153 HA ARG 14 HA ARG 14 10.492 7.011 -4.922 154 HA ARG 14 HA ARG 14 10.800 6.348 -4.446 155 HB2 ARG 14 HB2 ARG 14 13.040 6.352 -6.411 156 HB2 ARG 14 HB2 ARG 14 12.722 4.833 -6.100 157 HB3 ARG 14 HB3 ARG 14 12.800 7.713 -5.323 158 HB3 ARG 14 HB3 ARG 14 12.982 6.571 -6.039 159 HG2 ARG 14 HG2 ARG 14 12.221 5.070 -4.175 160 HG2 ARG 14 HG2 ARG 14 12.497 5.717 -3.395 161 HG3 ARG 14 HG3 ARG 14 13.908 5.366 -4.600 162 HG3 ARG 14 HG3 ARG 14 13.649 4.587 -4.109 163 HD2 ARG 14 HD2 ARG 14 12.202 7.157 -2.873 164 HD2 ARG 14 HD2 ARG 14 15.190 6.115 -3.552 165 HD3 ARG 14 HD3 ARG 14 13.391 6.000 -2.275 166 HD3 ARG 14 HD3 ARG 14 14.613 6.986 -4.973 167 HE ARG 14 HE ARG 14 14.622 7.746 -4.106 168 HE ARG 14 HE ARG 14 13.637 8.541 -3.592 169 HH11 ARG 14 HH11 ARG 14 13.273 7.714 -0.897 170 HH11 ARG 14 HH11 ARG 14 14.605 5.765 -1.727 171 HH12 ARG 14 HH12 ARG 14 14.290 8.991 -0.316 172 HH12 ARG 14 HH12 ARG 14 14.308 6.525 -0.199 173 HH21 ARG 14 HH21 ARG 14 15.968 9.426 -3.353 174 HH21 ARG 14 HH21 ARG 14 13.243 9.552 -1.586 175 HH22 ARG 14 HH22 ARG 14 15.822 9.964 -1.713 176 HH22 ARG 14 HH22 ARG 14 13.534 8.679 -0.120 177 H MET 15 H MET 15 11.171 9.157 -5.979 178 H MET 15 H MET 15 11.292 8.472 -5.388 179 HA MET 15 HA MET 15 10.020 9.222 -8.686 180 HA MET 15 HA MET 15 9.897 8.840 -7.957 181 HB2 MET 15 HB2 MET 15 10.099 11.341 -6.534 182 HB2 MET 15 HB2 MET 15 9.075 9.852 -5.623 183 HB3 MET 15 HB3 MET 15 9.516 11.621 -8.169 184 HB3 MET 15 HB3 MET 15 10.205 11.120 -6.074 185 HG2 MET 15 HG2 MET 15 8.263 9.327 -6.895 186 HG2 MET 15 HG2 MET 15 8.799 11.968 -7.562 187 HG3 MET 15 HG3 MET 15 8.003 10.835 -6.021 188 HG3 MET 15 HG3 MET 15 8.498 10.388 -8.283 189 HE1 MET 15 HE1 MET 15 5.271 12.129 -7.077 190 HE1 MET 15 HE1 MET 15 5.624 12.532 -7.849 191 HE2 MET 15 HE2 MET 15 6.880 12.572 -6.506 192 HE2 MET 15 HE2 MET 15 5.811 13.000 -6.159 193 HE3 MET 15 HE3 MET 15 6.309 13.153 -8.070 194 HE3 MET 15 HE3 MET 15 7.158 13.194 -7.282 195 H SER 16 H SER 16 11.055 10.294 -10.328 196 H SER 16 H SER 16 11.036 9.637 -9.595 197 HA SER 16 HA SER 16 13.836 10.414 -10.316 198 HA SER 16 HA SER 16 13.797 10.176 -9.379 199 HB2 SER 16 HB2 SER 16 11.753 11.612 -12.129 200 HB2 SER 16 HB2 SER 16 12.511 9.388 -11.442 201 HB3 SER 16 HB3 SER 16 13.471 11.893 -12.407 202 HB3 SER 16 HB3 SER 16 12.045 11.074 -11.667 203 HG SER 16 HG SER 16 13.104 10.090 -13.533 204 HG SER 16 HG SER 16 14.081 10.169 -12.711 205 H ARG 17 H ARG 17 14.810 12.687 -11.265 206 H ARG 17 H ARG 17 13.938 12.464 -11.160 207 HA ARG 17 HA ARG 17 15.347 14.274 -9.107 208 HA ARG 17 HA ARG 17 14.206 14.516 -9.265 209 HB2 ARG 17 HB2 ARG 17 16.660 14.432 -11.123 210 HB2 ARG 17 HB2 ARG 17 14.732 15.958 -11.118 211 HB3 ARG 17 HB3 ARG 17 15.280 15.042 -12.026 212 HB3 ARG 17 HB3 ARG 17 15.443 14.379 -11.424 213 HG2 ARG 17 HG2 ARG 17 15.286 17.044 -10.536 214 HG2 ARG 17 HG2 ARG 17 12.991 14.169 -12.628 215 HG3 ARG 17 HG3 ARG 17 16.795 16.446 -9.842 216 HG3 ARG 17 HG3 ARG 17 13.431 15.852 -12.927 217 HD2 ARG 17 HD2 ARG 17 17.116 18.141 -11.630 218 HD2 ARG 17 HD2 ARG 17 14.889 13.355 -13.726 219 HD3 ARG 17 HD3 ARG 17 17.903 16.599 -11.961 220 HD3 ARG 17 HD3 ARG 17 14.315 14.671 -14.748 221 HE ARG 17 HE ARG 17 15.272 16.832 -13.102 222 HE ARG 17 HE ARG 17 16.811 14.533 -13.367 223 HH11 ARG 17 HH11 ARG 17 18.666 17.463 -13.561 224 HH11 ARG 17 HH11 ARG 17 14.366 16.708 -14.550 225 HH12 ARG 17 HH12 ARG 17 18.558 17.496 -15.290 226 HH12 ARG 17 HH12 ARG 17 15.448 18.052 -14.701 227 HH21 ARG 17 HH21 ARG 17 15.119 16.874 -15.377 228 HH21 ARG 17 HH21 ARG 17 18.247 16.293 -13.562 229 HH22 ARG 17 HH22 ARG 17 16.541 17.162 -16.321 230 HH22 ARG 17 HH22 ARG 17 17.657 17.815 -14.140 231 H ASN 18 H ASN 18 13.539 15.780 -11.743 232 H ASN 18 H ASN 18 13.084 16.699 -10.865 233 HA ASN 18 HA ASN 18 11.537 16.713 -9.807 234 HA ASN 18 HA ASN 18 10.476 16.752 -9.650 235 HB2 ASN 18 HB2 ASN 18 13.498 18.373 -10.541 236 HB2 ASN 18 HB2 ASN 18 12.127 18.716 -9.888 237 HB3 ASN 18 HB3 ASN 18 12.421 18.623 -11.912 238 HB3 ASN 18 HB3 ASN 18 11.551 18.827 -11.549 239 HD21 ASN 18 HD21 ASN 18 13.159 20.528 -9.912 240 HD21 ASN 18 HD21 ASN 18 9.808 20.002 -11.926 241 HD22 ASN 18 HD22 ASN 18 11.707 21.008 -9.108 242 HD22 ASN 18 HD22 ASN 18 8.700 20.574 -10.729 243 H SER 19 H SER 19 11.432 14.621 -11.812 244 H SER 19 H SER 19 11.358 15.102 -12.180 245 HA SER 19 HA SER 19 9.474 15.774 -13.686 246 HA SER 19 HA SER 19 9.389 16.001 -14.112 247 HB2 SER 19 HB2 SER 19 9.993 14.020 -15.232 248 HB2 SER 19 HB2 SER 19 10.243 14.213 -15.530 249 HB3 SER 19 HB3 SER 19 11.529 14.681 -14.675 250 HB3 SER 19 HB3 SER 19 11.593 15.126 -14.854 251 HG SER 19 HG SER 19 11.520 12.392 -14.653 252 HG SER 19 HG SER 19 11.262 13.298 -13.119 253 H GLY 20 H GLY 20 9.504 14.336 -10.830 254 H GLY 20 H GLY 20 9.105 14.446 -11.307 255 HA2 GLY 20 HA2 GLY 20 8.100 12.938 -9.660 256 HA2 GLY 20 HA2 GLY 20 7.599 12.970 -10.396 257 HA3 GLY 20 HA3 GLY 20 6.867 13.583 -10.733 258 HA3 GLY 20 HA3 GLY 20 6.528 13.517 -11.679 259 H ARG 21 H ARG 21 9.523 11.777 -12.045 260 H ARG 21 H ARG 21 9.497 11.984 -12.556 261 HA ARG 21 HA ARG 21 7.714 9.829 -13.136 262 HA ARG 21 HA ARG 21 8.076 9.876 -13.888 263 HB2 ARG 21 HB2 ARG 21 10.693 10.237 -13.312 264 HB2 ARG 21 HB2 ARG 21 10.482 11.135 -14.300 265 HB3 ARG 21 HB3 ARG 21 9.908 8.828 -14.013 266 HB3 ARG 21 HB3 ARG 21 10.986 9.582 -13.649 267 HG2 ARG 21 HG2 ARG 21 9.222 11.678 -14.701 268 HG2 ARG 21 HG2 ARG 21 10.946 9.163 -15.908 269 HG3 ARG 21 HG3 ARG 21 10.317 10.652 -15.630 270 HG3 ARG 21 HG3 ARG 21 9.348 8.605 -15.410 271 HD2 ARG 21 HD2 ARG 21 7.399 10.116 -15.090 272 HD2 ARG 21 HD2 ARG 21 8.497 10.907 -16.016 273 HD3 ARG 21 HD3 ARG 21 8.087 10.670 -16.615 274 HD3 ARG 21 HD3 ARG 21 10.069 11.194 -16.762 275 HE ARG 21 HE ARG 21 8.120 7.987 -15.563 276 HE ARG 21 HE ARG 21 7.921 9.676 -17.843 277 HH11 ARG 21 HH11 ARG 21 9.590 10.241 -17.772 278 HH11 ARG 21 HH11 ARG 21 11.394 9.848 -17.674 279 HH12 ARG 21 HH12 ARG 21 10.236 9.008 -18.805 280 HH12 ARG 21 HH12 ARG 21 11.638 9.035 -19.186 281 HH21 ARG 21 HH21 ARG 21 8.965 6.355 -16.915 282 HH21 ARG 21 HH21 ARG 21 8.230 8.605 -19.834 283 HH22 ARG 21 HH22 ARG 21 9.879 6.798 -18.318 284 HH22 ARG 21 HH22 ARG 21 9.838 8.330 -20.412 285 H VAL 22 H VAL 22 7.107 8.008 -12.188 286 H VAL 22 H VAL 22 7.107 8.577 -12.359 287 HA VAL 22 HA VAL 22 8.549 7.062 -9.833 288 HA VAL 22 HA VAL 22 8.345 7.603 -10.026 289 HB VAL 22 HB VAL 22 5.961 5.993 -10.959 290 HB VAL 22 HB VAL 22 5.929 6.812 -11.590 291 HG11 VAL 22 HG11 VAL 22 7.191 4.535 -9.385 292 HG11 VAL 22 HG11 VAL 22 7.244 5.155 -9.452 293 HG12 VAL 22 HG12 VAL 22 7.123 5.820 -8.180 294 HG12 VAL 22 HG12 VAL 22 5.526 5.032 -9.832 295 HG13 VAL 22 HG13 VAL 22 5.633 5.068 -8.753 296 HG13 VAL 22 HG13 VAL 22 6.731 4.654 -11.063 297 HG21 VAL 22 HG21 VAL 22 6.488 8.509 -9.684 298 HG21 VAL 22 HG21 VAL 22 6.029 8.666 -9.857 299 HG22 VAL 22 HG22 VAL 22 4.966 7.871 -10.306 300 HG22 VAL 22 HG22 VAL 22 4.758 7.463 -9.649 301 HG23 VAL 22 HG23 VAL 22 5.461 7.515 -8.652 302 HG23 VAL 22 HG23 VAL 22 6.211 7.391 -8.653 303 H TYR 23 H TYR 23 9.439 5.030 -9.636 304 H TYR 23 H TYR 23 9.496 5.782 -9.585 305 HA TYR 23 HA TYR 23 9.246 3.089 -11.751 306 HA TYR 23 HA TYR 23 9.820 3.678 -11.521 307 HB2 TYR 23 HB2 TYR 23 11.635 3.053 -12.298 308 HB2 TYR 23 HB2 TYR 23 12.112 3.951 -12.017 309 HB3 TYR 23 HB3 TYR 23 10.924 4.612 -12.695 310 HB3 TYR 23 HB3 TYR 23 11.412 5.552 -12.229 311 HD1 TYR 23 HD1 TYR 23 11.123 6.430 -10.785 312 HD1 TYR 23 HD1 TYR 23 11.657 7.222 -10.314 313 HD2 TYR 23 HD2 TYR 23 13.639 3.018 -11.148 314 HD2 TYR 23 HD2 TYR 23 13.909 3.620 -10.551 315 HE1 TYR 23 HE1 TYR 23 12.843 7.563 -9.440 316 HE1 TYR 23 HE1 TYR 23 13.303 8.155 -8.744 317 HE2 TYR 23 HE2 TYR 23 15.365 4.140 -9.803 318 HE2 TYR 23 HE2 TYR 23 15.561 4.543 -8.980 319 HH TYR 23 HH TYR 23 15.997 6.063 -8.853 320 HH TYR 23 HH TYR 23 16.006 7.566 -8.345 321 H TYR 24 H TYR 24 11.147 1.360 -11.261 322 H TYR 24 H TYR 24 11.380 1.996 -10.705 323 HA TYR 24 HA TYR 24 10.948 0.817 -8.371 324 HA TYR 24 HA TYR 24 11.168 1.846 -7.775 325 HB2 TYR 24 HB2 TYR 24 11.149 -1.137 -10.672 326 HB2 TYR 24 HB2 TYR 24 11.094 -0.229 -9.938 327 HB3 TYR 24 HB3 TYR 24 11.108 -1.579 -8.969 328 HB3 TYR 24 HB3 TYR 24 11.577 -0.681 -8.306 329 HD1 TYR 24 HD1 TYR 24 9.048 -1.486 -7.707 330 HD1 TYR 24 HD1 TYR 24 9.252 2.011 -8.309 331 HD2 TYR 24 HD2 TYR 24 9.144 -0.304 -11.794 332 HD2 TYR 24 HD2 TYR 24 9.532 -2.225 -8.593 333 HE1 TYR 24 HE1 TYR 24 6.590 -1.547 -7.776 334 HE1 TYR 24 HE1 TYR 24 6.886 1.817 -7.665 335 HE2 TYR 24 HE2 TYR 24 6.687 -0.361 -11.874 336 HE2 TYR 24 HE2 TYR 24 7.167 -2.431 -7.951 337 HH TYR 24 HH TYR 24 4.797 -0.324 -10.486 338 HH TYR 24 HH TYR 24 5.233 0.426 -7.125 339 H PHE 25 H PHE 25 12.777 0.789 -7.256 340 H PHE 25 H PHE 25 12.920 1.250 -6.531 341 HA PHE 25 HA PHE 25 15.297 0.277 -8.695 342 HA PHE 25 HA PHE 25 15.501 0.975 -7.911 343 HB2 PHE 25 HB2 PHE 25 15.319 2.603 -8.211 344 HB2 PHE 25 HB2 PHE 25 14.913 3.312 -6.835 345 HB3 PHE 25 HB3 PHE 25 14.695 2.345 -6.585 346 HB3 PHE 25 HB3 PHE 25 15.363 2.498 -5.341 347 HD1 PHE 25 HD1 PHE 25 16.139 1.885 -4.774 348 HD1 PHE 25 HD1 PHE 25 17.536 2.710 -4.657 349 HD2 PHE 25 HD2 PHE 25 17.653 1.952 -8.752 350 HD2 PHE 25 HD2 PHE 25 16.663 2.891 -8.819 351 HE1 PHE 25 HE1 PHE 25 18.438 1.846 -3.897 352 HE1 PHE 25 HE1 PHE 25 19.911 3.149 -5.133 353 HE2 PHE 25 HE2 PHE 25 19.954 1.912 -7.882 354 HE2 PHE 25 HE2 PHE 25 19.035 3.329 -9.301 355 HZ PHE 25 HZ PHE 25 20.349 1.858 -5.451 356 HZ PHE 25 HZ PHE 25 20.663 3.457 -7.457 357 H ASN 26 H ASN 26 16.146 -1.575 -8.034 358 H ASN 26 H ASN 26 17.007 -0.350 -6.928 359 HA ASN 26 HA ASN 26 15.509 -2.617 -5.391 360 HA ASN 26 HA ASN 26 15.990 -1.929 -4.660 361 HB2 ASN 26 HB2 ASN 26 15.466 -3.996 -7.555 362 HB2 ASN 26 HB2 ASN 26 16.390 -3.041 -6.954 363 HB3 ASN 26 HB3 ASN 26 17.226 -3.967 -7.470 364 HB3 ASN 26 HB3 ASN 26 18.104 -2.875 -6.584 365 HD21 ASN 26 HD21 ASN 26 15.373 -6.211 -7.294 366 HD21 ASN 26 HD21 ASN 26 15.234 -4.626 -6.015 367 HD22 ASN 26 HD22 ASN 26 15.699 -6.981 -5.782 368 HD22 ASN 26 HD22 ASN 26 15.885 -5.781 -4.907 369 H HIS 27 H HIS 27 16.827 -2.478 -3.701 370 H HIS 27 H HIS 27 17.249 -2.238 -2.883 371 HA HIS 27 HA HIS 27 19.445 -1.280 -4.031 372 HA HIS 27 HA HIS 27 19.598 -0.533 -2.653 373 HB2 HIS 27 HB2 HIS 27 19.398 -0.835 -1.748 374 HB2 HIS 27 HB2 HIS 27 19.435 -1.294 -0.201 375 HB3 HIS 27 HB3 HIS 27 17.690 -0.773 -2.174 376 HB3 HIS 27 HB3 HIS 27 18.152 -0.259 -0.820 377 HD1 HIS 27 HD1 HIS 27 16.158 -2.554 -1.175 378 HD1 HIS 27 HD1 HIS 27 18.830 -3.863 0.073 379 HD2 HIS 27 HD2 HIS 27 20.162 -3.079 -0.201 380 HD2 HIS 27 HD2 HIS 27 15.627 -1.340 -0.724 381 HE1 HIS 27 HE1 HIS 27 16.187 -4.303 0.633 382 HE1 HIS 27 HE1 HIS 27 16.773 -5.186 0.652 383 H ILE 28 H ILE 28 18.148 -4.400 -3.838 384 H ILE 28 H ILE 28 19.435 -3.243 -4.070 385 HA ILE 28 HA ILE 28 20.522 -5.609 -2.679 386 HA ILE 28 HA ILE 28 21.927 -4.268 -2.943 387 HB ILE 28 HB ILE 28 17.936 -6.761 -3.707 388 HB ILE 28 HB ILE 28 19.894 -6.293 -3.756 389 HG12 ILE 28 HG12 ILE 28 19.231 -6.616 -0.977 390 HG12 ILE 28 HG12 ILE 28 19.979 -4.876 -1.089 391 HG13 ILE 28 HG13 ILE 28 17.795 -5.749 -1.511 392 HG13 ILE 28 HG13 ILE 28 18.616 -4.990 -2.196 393 HG21 ILE 28 HG21 ILE 28 19.652 -8.324 -4.332 394 HG21 ILE 28 HG21 ILE 28 22.338 -6.757 -3.240 395 HG22 ILE 28 HG22 ILE 28 20.377 -8.232 -2.727 396 HG22 ILE 28 HG22 ILE 28 21.938 -6.411 -1.558 397 HG23 ILE 28 HG23 ILE 28 18.784 -8.961 -2.936 398 HG23 ILE 28 HG23 ILE 28 21.148 -7.747 -2.394 399 HD11 ILE 28 HD11 ILE 28 16.697 -7.985 -1.824 400 HD11 ILE 28 HD11 ILE 28 18.515 -7.407 -1.787 401 HD12 ILE 28 HD12 ILE 28 18.090 -8.692 -1.006 402 HD12 ILE 28 HD12 ILE 28 19.838 -7.249 -0.633 403 HD13 ILE 28 HD13 ILE 28 17.063 -7.537 -0.157 404 HD13 ILE 28 HD13 ILE 28 18.294 -6.461 -0.316 405 H THR 29 H THR 29 18.980 -5.239 -5.814 406 H THR 29 H THR 29 19.528 -5.056 -5.467 407 HA THR 29 HA THR 29 21.202 -6.706 -7.068 408 HA THR 29 HA THR 29 21.706 -5.553 -7.347 409 HB THR 29 HB THR 29 19.604 -6.448 -9.143 410 HB THR 29 HB THR 29 19.991 -6.461 -8.838 411 HG1 THR 29 HG1 THR 29 17.656 -5.779 -8.674 412 HG1 THR 29 HG1 THR 29 18.085 -5.559 -8.533 413 HG21 THR 29 HG21 THR 29 20.149 -8.610 -8.385 414 HG21 THR 29 HG21 THR 29 20.782 -8.158 -7.485 415 HG22 THR 29 HG22 THR 29 19.301 -8.379 -6.855 416 HG22 THR 29 HG22 THR 29 20.146 -7.424 -6.013 417 HG23 THR 29 HG23 THR 29 18.386 -8.552 -8.353 418 HG23 THR 29 HG23 THR 29 19.053 -8.222 -7.144 419 H ASN 30 H ASN 30 19.999 -3.599 -6.507 420 H ASN 30 H ASN 30 22.321 -3.308 -7.527 421 HA ASN 30 HA ASN 30 20.654 -1.530 -7.193 422 HA ASN 30 HA ASN 30 20.739 -1.181 -8.252 423 HB2 ASN 30 HB2 ASN 30 22.945 -2.973 -7.175 424 HB2 ASN 30 HB2 ASN 30 23.548 -1.807 -9.187 425 HB3 ASN 30 HB3 ASN 30 22.890 -2.500 -8.870 426 HB3 ASN 30 HB3 ASN 30 22.769 -0.235 -9.337 427 HD21 ASN 30 HD21 ASN 30 21.718 -0.014 -8.664 428 HD21 ASN 30 HD21 ASN 30 21.504 0.014 -6.943 429 HD22 ASN 30 HD22 ASN 30 22.797 1.056 -7.841 430 HD22 ASN 30 HD22 ASN 30 22.666 0.076 -5.665 431 H ALA 31 H ALA 31 18.970 -3.371 -8.887 432 H ALA 31 H ALA 31 19.172 -1.323 -9.744 433 HA ALA 31 HA ALA 31 19.454 -2.240 -11.547 434 HA ALA 31 HA ALA 31 19.796 -1.316 -12.490 435 HB1 ALA 31 HB1 ALA 31 19.167 -4.639 -11.488 436 HB1 ALA 31 HB1 ALA 31 19.267 -3.399 -13.265 437 HB2 ALA 31 HB2 ALA 31 17.618 -4.463 -10.664 438 HB2 ALA 31 HB2 ALA 31 19.965 -3.830 -11.704 439 HB3 ALA 31 HB3 ALA 31 17.802 -3.898 -12.325 440 HB3 ALA 31 HB3 ALA 31 18.213 -3.763 -11.899 441 H SER 32 H SER 32 17.847 -1.125 -12.685 442 H SER 32 H SER 32 17.919 -1.030 -13.843 443 HA SER 32 HA SER 32 15.566 -0.186 -11.075 444 HA SER 32 HA SER 32 15.485 -0.355 -12.324 445 HB2 SER 32 HB2 SER 32 15.855 2.059 -11.926 446 HB2 SER 32 HB2 SER 32 17.002 1.560 -13.326 447 HB3 SER 32 HB3 SER 32 17.382 1.532 -11.219 448 HB3 SER 32 HB3 SER 32 16.184 1.129 -14.828 449 HG SER 32 HG SER 32 16.707 1.568 -13.976 450 HG SER 32 HG SER 32 15.132 2.224 -12.472 451 H GLN 33 H GLN 33 13.645 0.157 -12.157 452 H GLN 33 H GLN 33 13.497 -0.708 -13.341 453 HA GLN 33 HA GLN 33 13.440 0.054 -15.005 454 HA GLN 33 HA GLN 33 13.599 -2.261 -15.838 455 HB2 GLN 33 HB2 GLN 33 12.118 -2.035 -15.117 456 HB2 GLN 33 HB2 GLN 33 13.273 -3.830 -14.025 457 HB3 GLN 33 HB3 GLN 33 13.789 -2.314 -14.644 458 HB3 GLN 33 HB3 GLN 33 11.959 -2.859 -13.373 459 HG2 GLN 33 HG2 GLN 33 13.162 -2.627 -12.362 460 HG2 GLN 33 HG2 GLN 33 10.527 -4.031 -14.572 461 HG3 GLN 33 HG3 GLN 33 11.504 -2.130 -12.698 462 HG3 GLN 33 HG3 GLN 33 11.292 -3.434 -16.044 463 HE21 GLN 33 HE21 GLN 33 10.129 -3.537 -13.795 464 HE21 GLN 33 HE21 GLN 33 11.736 -5.889 -13.526 465 HE22 GLN 33 HE22 GLN 33 10.474 -5.224 -13.941 466 HE22 GLN 33 HE22 GLN 33 12.309 -7.124 -14.590 467 H PHE 34 H PHE 34 11.532 0.889 -15.700 468 H PHE 34 H PHE 34 11.615 -0.302 -13.659 469 HA PHE 34 HA PHE 34 9.813 2.067 -13.725 470 HA PHE 34 HA PHE 34 9.945 1.191 -14.059 471 HB2 PHE 34 HB2 PHE 34 9.771 2.069 -16.744 472 HB2 PHE 34 HB2 PHE 34 11.613 1.334 -16.348 473 HB3 PHE 34 HB3 PHE 34 8.564 2.900 -15.769 474 HB3 PHE 34 HB3 PHE 34 9.949 1.360 -16.919 475 HD1 PHE 34 HD1 PHE 34 12.104 2.823 -16.743 476 HD1 PHE 34 HD1 PHE 34 12.572 3.199 -15.283 477 HD2 PHE 34 HD2 PHE 34 9.064 4.949 -14.657 478 HD2 PHE 34 HD2 PHE 34 8.389 3.109 -16.063 479 HE1 PHE 34 HE1 PHE 34 13.580 4.787 -16.601 480 HE1 PHE 34 HE1 PHE 34 12.415 5.584 -14.697 481 HE2 PHE 34 HE2 PHE 34 10.534 6.916 -14.513 482 HE2 PHE 34 HE2 PHE 34 8.225 5.494 -15.479 483 HZ PHE 34 HZ PHE 34 12.796 6.837 -15.486 484 HZ PHE 34 HZ PHE 34 10.240 6.734 -14.796 485 H GLU 35 H GLU 35 9.530 -0.503 -16.136 486 H GLU 35 H GLU 35 9.429 -1.645 -14.033 487 HA GLU 35 HA GLU 35 6.785 -1.018 -15.789 488 HA GLU 35 HA GLU 35 6.803 -1.593 -15.262 489 HB2 GLU 35 HB2 GLU 35 9.094 -2.598 -16.859 490 HB2 GLU 35 HB2 GLU 35 9.027 -3.184 -16.313 491 HB3 GLU 35 HB3 GLU 35 7.541 -3.385 -16.618 492 HB3 GLU 35 HB3 GLU 35 7.589 -4.133 -15.964 493 HG2 GLU 35 HG2 GLU 35 8.002 -2.482 -18.926 494 HG2 GLU 35 HG2 GLU 35 7.793 -1.751 -17.788 495 HG3 GLU 35 HG3 GLU 35 6.474 -2.008 -18.188 496 HG3 GLU 35 HG3 GLU 35 7.525 -3.431 -18.249 497 H ARG 36 H ARG 36 5.690 -2.562 -14.569 498 H ARG 36 H ARG 36 5.420 -3.343 -14.508 499 HA ARG 36 HA ARG 36 6.692 -2.993 -11.952 500 HA ARG 36 HA ARG 36 5.451 -3.716 -11.786 501 HB2 ARG 36 HB2 ARG 36 4.301 -2.725 -12.401 502 HB2 ARG 36 HB2 ARG 36 3.481 -4.118 -13.195 503 HB3 ARG 36 HB3 ARG 36 4.299 -4.211 -13.341 504 HB3 ARG 36 HB3 ARG 36 4.243 -5.557 -13.857 505 HG2 ARG 36 HG2 ARG 36 5.323 -5.059 -10.961 506 HG2 ARG 36 HG2 ARG 36 2.647 -6.219 -12.206 507 HG3 ARG 36 HG3 ARG 36 4.184 -3.811 -10.450 508 HG3 ARG 36 HG3 ARG 36 4.266 -6.533 -11.581 509 HD2 ARG 36 HD2 ARG 36 2.419 -4.902 -11.755 510 HD2 ARG 36 HD2 ARG 36 4.162 -4.425 -10.315 511 HD3 ARG 36 HD3 ARG 36 3.560 -6.152 -12.247 512 HD3 ARG 36 HD3 ARG 36 2.523 -4.165 -10.912 513 HE ARG 36 HE ARG 36 3.339 -7.132 -10.181 514 HE ARG 36 HE ARG 36 3.307 -5.849 -8.756 515 HH11 ARG 36 HH11 ARG 36 1.917 -3.954 -10.127 516 HH11 ARG 36 HH11 ARG 36 1.008 -5.537 -11.353 517 HH12 ARG 36 HH12 ARG 36 1.181 -4.168 -8.573 518 HH12 ARG 36 HH12 ARG 36 -0.211 -6.480 -10.561 519 HH21 ARG 36 HH21 ARG 36 2.375 -7.425 -8.135 520 HH21 ARG 36 HH21 ARG 36 1.709 -7.091 -7.703 521 HH22 ARG 36 HH22 ARG 36 1.443 -6.143 -7.441 522 HH22 ARG 36 HH22 ARG 36 0.188 -7.363 -8.485 523 HA PRO 37 HA PRO 37 9.028 -6.676 -12.834 524 HA PRO 37 HA PRO 37 8.922 -6.571 -11.543 525 HB2 PRO 37 HB2 PRO 37 9.734 -7.190 -10.263 526 HB2 PRO 37 HB2 PRO 37 9.146 -6.419 -8.841 527 HB3 PRO 37 HB3 PRO 37 10.504 -5.931 -11.238 528 HB3 PRO 37 HB3 PRO 37 9.793 -5.185 -9.929 529 HG2 PRO 37 HG2 PRO 37 8.348 -5.677 -9.176 530 HG2 PRO 37 HG2 PRO 37 7.239 -5.184 -8.367 531 HG3 PRO 37 HG3 PRO 37 9.776 -4.659 -9.433 532 HG3 PRO 37 HG3 PRO 37 8.407 -3.871 -8.602 533 HD2 PRO 37 HD2 PRO 37 7.309 -3.954 -10.298 534 HD2 PRO 37 HD2 PRO 37 6.095 -4.032 -10.004 535 HD3 PRO 37 HD3 PRO 37 8.790 -3.495 -11.161 536 HD3 PRO 37 HD3 PRO 37 7.580 -3.340 -10.687 537 H SER 38 H SER 38 6.887 -7.675 -13.405 538 H SER 38 H SER 38 8.098 -8.560 -12.016 539 HA SER 38 HA SER 38 5.773 -9.327 -11.254 540 HA SER 38 HA SER 38 7.082 -10.120 -9.790 541 HB2 SER 38 HB2 SER 38 3.923 -9.771 -12.846 542 HB2 SER 38 HB2 SER 38 5.093 -10.894 -10.904 543 HB3 SER 38 HB3 SER 38 4.140 -8.048 -12.537 544 HB3 SER 38 HB3 SER 38 5.061 -9.132 -10.914 545 HG SER 38 HG SER 38 3.877 -8.640 -14.792 546 HG SER 38 HG SER 38 5.818 -10.838 -13.052 547 H GLY 39 H GLY 39 8.283 -10.104 -12.029 548 H GLY 39 H GLY 39 9.488 -10.554 -10.616 549 HA2 GLY 39 HA2 GLY 39 7.727 -12.762 -13.060 550 HA2 GLY 39 HA2 GLY 39 9.282 -13.015 -12.211 551 HA3 GLY 39 HA3 GLY 39 8.801 -11.785 -14.051 552 HA3 GLY 39 HA3 GLY 39 10.472 -11.803 -12.664 Start of MODEL 6 1 H1 SER 5 H SER 5 0.247 0.458 -0.152 2 H1 SER 5 H SER 5 0.526 0.130 -1.822 3 HA SER 5 HA SER 5 1.621 0.118 -2.321 4 HA SER 5 HA SER 5 2.520 -0.194 -2.872 5 HB2 SER 5 HB2 SER 5 2.787 0.523 0.423 6 HB2 SER 5 HB2 SER 5 2.950 -0.842 -0.046 7 HB3 SER 5 HB3 SER 5 3.819 0.512 -1.007 8 HB3 SER 5 HB3 SER 5 4.129 -1.591 -1.123 9 HG SER 5 HG SER 5 2.588 2.561 -0.099 10 HG SER 5 HG SER 5 3.877 1.004 -0.381 11 H LYS 6 H LYS 6 0.707 -2.456 -1.880 12 H LYS 6 H LYS 6 2.282 -3.159 -0.907 13 HA LYS 6 HA LYS 6 2.491 -4.356 -0.975 14 HA LYS 6 HA LYS 6 2.509 -5.358 -1.462 15 HB2 LYS 6 HB2 LYS 6 1.407 -5.909 -2.580 16 HB2 LYS 6 HB2 LYS 6 1.131 -4.657 -4.047 17 HB3 LYS 6 HB3 LYS 6 0.251 -4.959 -1.656 18 HB3 LYS 6 HB3 LYS 6 1.045 -6.163 -3.142 19 HG2 LYS 6 HG2 LYS 6 0.216 -3.379 -3.662 20 HG2 LYS 6 HG2 LYS 6 -0.229 -5.088 -1.397 21 HG3 LYS 6 HG3 LYS 6 1.023 -4.681 -4.538 22 HG3 LYS 6 HG3 LYS 6 -0.065 -3.526 -2.201 23 HD2 LYS 6 HD2 LYS 6 -1.331 -4.870 -4.930 24 HD2 LYS 6 HD2 LYS 6 -2.065 -4.039 -3.095 25 HD3 LYS 6 HD3 LYS 6 -0.846 -6.193 -3.865 26 HD3 LYS 6 HD3 LYS 6 -1.114 -5.034 -4.199 27 HE2 LYS 6 HE2 LYS 6 -1.869 -5.243 -2.013 28 HE2 LYS 6 HE2 LYS 6 -1.555 -6.537 -1.836 29 HE3 LYS 6 HE3 LYS 6 -1.855 -3.625 -2.710 30 HE3 LYS 6 HE3 LYS 6 -3.099 -5.842 -2.324 31 HZ1 LYS 6 HZ1 LYS 6 -3.782 -3.977 -3.773 32 HZ1 LYS 6 HZ1 LYS 6 -2.517 -6.717 -4.625 33 HZ2 LYS 6 HZ2 LYS 6 -3.410 -5.578 -4.175 34 HZ2 LYS 6 HZ2 LYS 6 -1.337 -7.654 -3.855 35 HZ3 LYS 6 HZ3 LYS 6 -4.006 -5.209 -2.636 36 HZ3 LYS 6 HZ3 LYS 6 -2.970 -7.856 -3.458 37 H LEU 7 H LEU 7 4.549 -4.667 -1.480 38 H LEU 7 H LEU 7 4.762 -5.389 -1.691 39 HA LEU 7 HA LEU 7 5.358 -4.831 -4.258 40 HA LEU 7 HA LEU 7 5.657 -5.931 -4.399 41 HB2 LEU 7 HB2 LEU 7 5.901 -2.518 -2.631 42 HB2 LEU 7 HB2 LEU 7 7.099 -3.922 -2.678 43 HB3 LEU 7 HB3 LEU 7 7.403 -3.312 -3.100 44 HB3 LEU 7 HB3 LEU 7 7.552 -4.444 -4.300 45 HG LEU 7 HG LEU 7 6.399 -3.216 -5.497 46 HG LEU 7 HG LEU 7 5.010 -2.949 -3.678 47 HD11 LEU 7 HD11 LEU 7 4.313 -2.386 -5.489 48 HD11 LEU 7 HD11 LEU 7 6.515 -1.309 -3.177 49 HD12 LEU 7 HD12 LEU 7 4.524 -1.588 -3.930 50 HD12 LEU 7 HD12 LEU 7 7.774 -1.993 -4.207 51 HD13 LEU 7 HD13 LEU 7 5.129 -0.824 -5.401 52 HD13 LEU 7 HD13 LEU 7 6.426 -1.112 -4.928 53 HD21 LEU 7 HD21 LEU 7 7.205 -0.748 -5.605 54 HD21 LEU 7 HD21 LEU 7 5.512 -4.429 -5.836 55 HD22 LEU 7 HD22 LEU 7 7.636 -1.003 -3.913 56 HD22 LEU 7 HD22 LEU 7 4.606 -2.918 -5.910 57 HD23 LEU 7 HD23 LEU 7 8.347 -2.019 -5.167 58 HD23 LEU 7 HD23 LEU 7 6.318 -2.942 -6.335 59 HA PRO 8 HA PRO 8 8.032 -7.962 -2.737 60 HA PRO 8 HA PRO 8 8.039 -9.030 -2.400 61 HB2 PRO 8 HB2 PRO 8 10.096 -7.810 -4.493 62 HB2 PRO 8 HB2 PRO 8 10.110 -9.286 -4.136 63 HB3 PRO 8 HB3 PRO 8 8.510 -8.459 -4.928 64 HB3 PRO 8 HB3 PRO 8 8.479 -9.867 -4.493 65 HG2 PRO 8 HG2 PRO 8 9.648 -5.736 -5.434 66 HG2 PRO 8 HG2 PRO 8 9.822 -7.337 -5.365 67 HG3 PRO 8 HG3 PRO 8 8.713 -6.778 -6.523 68 HG3 PRO 8 HG3 PRO 8 8.811 -8.448 -6.306 69 HD2 PRO 8 HD2 PRO 8 7.603 -4.702 -5.184 70 HD2 PRO 8 HD2 PRO 8 7.863 -6.126 -5.286 71 HD3 PRO 8 HD3 PRO 8 6.700 -6.182 -5.571 72 HD3 PRO 8 HD3 PRO 8 6.850 -7.572 -5.471 73 HA PRO 9 HA PRO 9 11.022 -6.177 -0.035 74 HA PRO 9 HA PRO 9 11.395 -7.434 -0.048 75 HB2 PRO 9 HB2 PRO 9 12.559 -8.360 0.461 76 HB2 PRO 9 HB2 PRO 9 13.217 -9.447 -0.042 77 HB3 PRO 9 HB3 PRO 9 10.938 -8.154 1.135 78 HB3 PRO 9 HB3 PRO 9 11.693 -9.528 0.849 79 HG2 PRO 9 HG2 PRO 9 11.811 -9.750 -1.242 80 HG2 PRO 9 HG2 PRO 9 12.398 -10.710 -1.809 81 HG3 PRO 9 HG3 PRO 9 10.665 -10.186 0.038 82 HG3 PRO 9 HG3 PRO 9 11.495 -11.436 -0.467 83 HD2 PRO 9 HD2 PRO 9 9.866 -9.320 -2.399 84 HD2 PRO 9 HD2 PRO 9 10.275 -10.396 -2.649 85 HD3 PRO 9 HD3 PRO 9 8.946 -8.985 -0.918 86 HD3 PRO 9 HD3 PRO 9 9.539 -10.358 -1.035 87 H GLY 10 H GLY 10 12.670 -4.883 -0.538 88 H GLY 10 H GLY 10 12.691 -5.830 -0.679 89 HA2 GLY 10 HA2 GLY 10 15.029 -4.711 -1.099 90 HA2 GLY 10 HA2 GLY 10 14.802 -5.071 -1.478 91 HA3 GLY 10 HA3 GLY 10 14.758 -5.916 -2.349 92 HA3 GLY 10 HA3 GLY 10 14.829 -6.424 -2.600 93 H TRP 11 H TRP 11 12.205 -4.582 -3.127 94 H TRP 11 H TRP 11 12.039 -4.356 -2.157 95 HA TRP 11 HA TRP 11 13.419 -2.625 -4.909 96 HA TRP 11 HA TRP 11 12.642 -2.906 -4.619 97 HB2 TRP 11 HB2 TRP 11 10.759 -4.035 -4.857 98 HB2 TRP 11 HB2 TRP 11 10.153 -4.576 -4.216 99 HB3 TRP 11 HB3 TRP 11 11.049 -2.662 -5.923 100 HB3 TRP 11 HB3 TRP 11 10.368 -3.408 -5.518 101 HD1 TRP 11 HD1 TRP 11 11.558 -6.353 -5.677 102 HD1 TRP 11 HD1 TRP 11 11.857 -6.747 -4.267 103 HE1 TRP 11 HE1 TRP 11 12.880 -7.196 -7.717 104 HE1 TRP 11 HE1 TRP 11 12.879 -7.972 -6.286 105 HE3 TRP 11 HE3 TRP 11 13.069 -1.856 -7.582 106 HE3 TRP 11 HE3 TRP 11 11.209 -3.133 -7.825 107 HZ2 TRP 11 HZ2 TRP 11 14.367 -6.101 -9.852 108 HZ2 TRP 11 HZ2 TRP 11 13.349 -7.474 -9.024 109 HZ3 TRP 11 HZ3 TRP 11 14.438 -1.841 -9.626 110 HZ3 TRP 11 HZ3 TRP 11 11.973 -3.586 -10.119 111 HH2 TRP 11 HH2 TRP 11 15.074 -3.920 -10.735 112 HH2 TRP 11 HH2 TRP 11 13.021 -5.712 -10.704 113 H GLU 12 H GLU 12 12.685 -0.495 -5.144 114 H GLU 12 H GLU 12 11.708 -0.895 -4.746 115 HA GLU 12 HA GLU 12 10.823 0.516 -3.125 116 HA GLU 12 HA GLU 12 9.639 -0.100 -2.892 117 HB2 GLU 12 HB2 GLU 12 13.640 0.849 -2.979 118 HB2 GLU 12 HB2 GLU 12 10.943 1.693 -1.849 119 HB3 GLU 12 HB3 GLU 12 12.947 2.409 -3.397 120 HB3 GLU 12 HB3 GLU 12 11.628 0.115 -1.489 121 HG2 GLU 12 HG2 GLU 12 11.891 2.637 -1.405 122 HG2 GLU 12 HG2 GLU 12 12.655 1.842 -3.716 123 HG3 GLU 12 HG3 GLU 12 11.658 0.902 -1.202 124 HG3 GLU 12 HG3 GLU 12 13.251 1.969 -2.062 125 H LYS 13 H LYS 13 9.680 2.328 -3.734 126 H LYS 13 H LYS 13 8.423 1.501 -3.713 127 HA LYS 13 HA LYS 13 9.917 3.050 -6.568 128 HA LYS 13 HA LYS 13 8.977 2.430 -6.368 129 HB2 LYS 13 HB2 LYS 13 7.733 2.187 -5.515 130 HB2 LYS 13 HB2 LYS 13 6.698 1.985 -5.844 131 HB3 LYS 13 HB3 LYS 13 7.624 3.770 -4.755 132 HB3 LYS 13 HB3 LYS 13 6.759 2.990 -4.402 133 HG2 LYS 13 HG2 LYS 13 8.081 4.440 -7.355 134 HG2 LYS 13 HG2 LYS 13 7.381 4.387 -6.906 135 HG3 LYS 13 HG3 LYS 13 7.116 2.970 -7.519 136 HG3 LYS 13 HG3 LYS 13 5.733 3.769 -6.780 137 HD2 LYS 13 HD2 LYS 13 5.322 4.259 -7.200 138 HD2 LYS 13 HD2 LYS 13 5.756 4.861 -4.435 139 HD3 LYS 13 HD3 LYS 13 5.834 4.393 -5.516 140 HD3 LYS 13 HD3 LYS 13 7.142 5.767 -5.046 141 HE2 LYS 13 HE2 LYS 13 6.851 6.234 -7.665 142 HE2 LYS 13 HE2 LYS 13 5.880 6.880 -6.630 143 HE3 LYS 13 HE3 LYS 13 5.374 6.564 -6.761 144 HE3 LYS 13 HE3 LYS 13 4.626 5.641 -6.653 145 HZ1 LYS 13 HZ1 LYS 13 6.546 7.265 -5.027 146 HZ1 LYS 13 HZ1 LYS 13 4.387 7.977 -5.390 147 HZ2 LYS 13 HZ2 LYS 13 7.549 5.901 -5.038 148 HZ2 LYS 13 HZ2 LYS 13 3.552 6.578 -4.935 149 HZ3 LYS 13 HZ3 LYS 13 7.920 7.232 -6.014 150 HZ3 LYS 13 HZ3 LYS 13 4.971 7.017 -4.125 151 H ARG 14 H ARG 14 10.148 5.149 -7.250 152 H ARG 14 H ARG 14 10.263 4.078 -6.833 153 HA ARG 14 HA ARG 14 10.353 7.246 -5.214 154 HA ARG 14 HA ARG 14 10.558 6.241 -4.859 155 HB2 ARG 14 HB2 ARG 14 12.458 6.703 -7.317 156 HB2 ARG 14 HB2 ARG 14 12.447 4.978 -6.791 157 HB3 ARG 14 HB3 ARG 14 12.447 8.070 -6.211 158 HB3 ARG 14 HB3 ARG 14 12.664 6.681 -6.407 159 HG2 ARG 14 HG2 ARG 14 12.237 5.580 -4.775 160 HG2 ARG 14 HG2 ARG 14 12.280 5.148 -4.005 161 HG3 ARG 14 HG3 ARG 14 13.657 5.599 -5.822 162 HG3 ARG 14 HG3 ARG 14 13.599 4.483 -4.970 163 HD2 ARG 14 HD2 ARG 14 14.609 7.385 -4.723 164 HD2 ARG 14 HD2 ARG 14 14.481 6.136 -3.457 165 HD3 ARG 14 HD3 ARG 14 13.059 7.983 -4.135 166 HD3 ARG 14 HD3 ARG 14 14.586 6.746 -5.108 167 HE ARG 14 HE ARG 14 14.754 6.016 -2.881 168 HE ARG 14 HE ARG 14 13.226 8.463 -4.488 169 HH11 ARG 14 HH11 ARG 14 11.544 7.342 -3.110 170 HH11 ARG 14 HH11 ARG 14 12.774 5.835 -2.250 171 HH12 ARG 14 HH12 ARG 14 11.064 6.791 -1.540 172 HH12 ARG 14 HH12 ARG 14 11.704 6.725 -1.218 173 HH21 ARG 14 HH21 ARG 14 14.135 5.285 -0.811 174 HH21 ARG 14 HH21 ARG 14 11.818 9.645 -3.138 175 HH22 ARG 14 HH22 ARG 14 12.538 5.623 -0.233 176 HH22 ARG 14 HH22 ARG 14 11.160 8.892 -1.725 177 H MET 15 H MET 15 10.625 9.448 -6.310 178 H MET 15 H MET 15 10.932 8.418 -5.753 179 HA MET 15 HA MET 15 9.166 9.524 -8.863 180 HA MET 15 HA MET 15 9.464 8.814 -8.278 181 HB2 MET 15 HB2 MET 15 8.489 10.848 -6.282 182 HB2 MET 15 HB2 MET 15 8.541 9.588 -5.867 183 HB3 MET 15 HB3 MET 15 8.196 11.747 -7.765 184 HB3 MET 15 HB3 MET 15 9.487 11.009 -6.289 185 HG2 MET 15 HG2 MET 15 7.162 8.963 -7.343 186 HG2 MET 15 HG2 MET 15 7.691 11.710 -7.383 187 HG3 MET 15 HG3 MET 15 6.270 10.395 -6.834 188 HG3 MET 15 HG3 MET 15 8.083 10.490 -8.593 189 HE1 MET 15 HE1 MET 15 4.549 10.907 -7.804 190 HE1 MET 15 HE1 MET 15 5.616 11.663 -8.564 191 HE2 MET 15 HE2 MET 15 4.786 11.998 -9.169 192 HE2 MET 15 HE2 MET 15 4.357 10.429 -8.497 193 HE3 MET 15 HE3 MET 15 3.977 10.450 -9.409 194 HE3 MET 15 HE3 MET 15 4.601 11.514 -7.128 195 H SER 16 H SER 16 12.025 9.841 -8.084 196 H SER 16 H SER 16 10.300 10.217 -9.757 197 HA SER 16 HA SER 16 13.811 11.204 -8.483 198 HA SER 16 HA SER 16 13.049 10.743 -9.734 199 HB2 SER 16 HB2 SER 16 12.384 12.771 -10.545 200 HB2 SER 16 HB2 SER 16 10.872 11.085 -11.548 201 HB3 SER 16 HB3 SER 16 13.899 11.875 -10.655 202 HB3 SER 16 HB3 SER 16 11.778 12.597 -11.485 203 HG SER 16 HG SER 16 11.338 11.081 -11.241 204 HG SER 16 HG SER 16 12.453 10.236 -12.622 205 H ARG 17 H ARG 17 14.109 13.802 -9.291 206 H ARG 17 H ARG 17 13.485 13.303 -10.533 207 HA ARG 17 HA ARG 17 13.156 15.225 -6.936 208 HA ARG 17 HA ARG 17 13.055 14.776 -8.040 209 HB2 ARG 17 HB2 ARG 17 15.028 16.285 -9.046 210 HB2 ARG 17 HB2 ARG 17 15.366 14.575 -8.703 211 HB3 ARG 17 HB3 ARG 17 14.844 16.835 -7.387 212 HB3 ARG 17 HB3 ARG 17 15.003 15.185 -10.312 213 HG2 ARG 17 HG2 ARG 17 16.668 15.606 -7.002 214 HG2 ARG 17 HG2 ARG 17 14.110 17.139 -8.499 215 HG3 ARG 17 HG3 ARG 17 15.551 14.240 -7.012 216 HG3 ARG 17 HG3 ARG 17 15.707 16.625 -7.949 217 HD2 ARG 17 HD2 ARG 17 17.128 13.514 -8.513 218 HD2 ARG 17 HD2 ARG 17 15.166 17.305 -10.822 219 HD3 ARG 17 HD3 ARG 17 15.982 14.303 -9.595 220 HD3 ARG 17 HD3 ARG 17 15.581 18.546 -9.640 221 HE ARG 17 HE ARG 17 18.103 16.014 -8.655 222 HE ARG 17 HE ARG 17 17.557 16.758 -9.309 223 HH11 ARG 17 HH11 ARG 17 17.087 13.752 -11.098 224 HH11 ARG 17 HH11 ARG 17 16.215 18.266 -12.145 225 HH12 ARG 17 HH12 ARG 17 18.199 14.339 -12.290 226 HH12 ARG 17 HH12 ARG 17 17.704 18.223 -13.032 227 HH21 ARG 17 HH21 ARG 17 19.571 16.796 -10.215 228 HH21 ARG 17 HH21 ARG 17 19.522 16.694 -10.466 229 HH22 ARG 17 HH22 ARG 17 19.613 16.070 -11.786 230 HH22 ARG 17 HH22 ARG 17 19.583 17.328 -12.076 231 H ASN 18 H ASN 18 13.686 16.416 -10.241 232 H ASN 18 H ASN 18 13.638 16.115 -11.255 233 HA ASN 18 HA ASN 18 11.088 17.789 -10.062 234 HA ASN 18 HA ASN 18 11.494 18.022 -10.845 235 HB2 ASN 18 HB2 ASN 18 13.132 19.221 -10.278 236 HB2 ASN 18 HB2 ASN 18 13.851 18.474 -11.863 237 HB3 ASN 18 HB3 ASN 18 13.426 18.484 -11.851 238 HB3 ASN 18 HB3 ASN 18 13.142 17.848 -13.348 239 HD21 ASN 18 HD21 ASN 18 13.035 20.041 -13.269 240 HD21 ASN 18 HD21 ASN 18 13.563 19.969 -14.199 241 HD22 ASN 18 HD22 ASN 18 11.588 20.979 -13.356 242 HD22 ASN 18 HD22 ASN 18 12.446 21.251 -13.894 243 H SER 19 H SER 19 12.074 15.017 -11.159 244 H SER 19 H SER 19 12.063 15.099 -12.588 245 HA SER 19 HA SER 19 10.599 15.222 -13.702 246 HA SER 19 HA SER 19 9.929 15.493 -14.487 247 HB2 SER 19 HB2 SER 19 12.007 13.497 -14.646 248 HB2 SER 19 HB2 SER 19 10.389 12.910 -14.781 249 HB3 SER 19 HB3 SER 19 13.042 14.775 -14.010 250 HB3 SER 19 HB3 SER 19 11.539 14.100 -15.391 251 HG SER 19 HG SER 19 12.895 12.163 -13.299 252 HG SER 19 HG SER 19 12.896 13.651 -13.765 253 H GLY 20 H GLY 20 8.771 14.811 -12.164 254 H GLY 20 H GLY 20 10.377 13.874 -11.403 255 HA2 GLY 20 HA2 GLY 20 8.367 12.570 -10.641 256 HA2 GLY 20 HA2 GLY 20 8.824 13.099 -9.891 257 HA3 GLY 20 HA3 GLY 20 7.092 13.359 -11.556 258 HA3 GLY 20 HA3 GLY 20 7.581 13.857 -10.875 259 H ARG 21 H ARG 21 9.047 10.590 -11.249 260 H ARG 21 H ARG 21 9.302 11.906 -12.891 261 HA ARG 21 HA ARG 21 7.638 9.342 -13.475 262 HA ARG 21 HA ARG 21 7.229 10.103 -13.346 263 HB2 ARG 21 HB2 ARG 21 10.613 9.654 -13.285 264 HB2 ARG 21 HB2 ARG 21 9.692 10.669 -14.508 265 HB3 ARG 21 HB3 ARG 21 9.930 8.236 -14.068 266 HB3 ARG 21 HB3 ARG 21 9.833 8.991 -14.006 267 HG2 ARG 21 HG2 ARG 21 9.077 10.989 -14.869 268 HG2 ARG 21 HG2 ARG 21 8.322 8.265 -15.518 269 HG3 ARG 21 HG3 ARG 21 10.554 10.268 -15.510 270 HG3 ARG 21 HG3 ARG 21 7.344 9.730 -15.407 271 HD2 ARG 21 HD2 ARG 21 7.937 8.809 -15.609 272 HD2 ARG 21 HD2 ARG 21 8.478 9.416 -17.606 273 HD3 ARG 21 HD3 ARG 21 8.370 9.989 -16.845 274 HD3 ARG 21 HD3 ARG 21 8.866 10.935 -16.799 275 HE ARG 21 HE ARG 21 10.441 8.078 -16.449 276 HE ARG 21 HE ARG 21 11.045 10.239 -16.589 277 HH11 ARG 21 HH11 ARG 21 7.341 8.555 -17.958 278 HH11 ARG 21 HH11 ARG 21 9.045 7.554 -17.543 279 HH12 ARG 21 HH12 ARG 21 7.616 7.375 -19.197 280 HH12 ARG 21 HH12 ARG 21 10.384 6.503 -17.867 281 HH21 ARG 21 HH21 ARG 21 10.816 6.521 -18.074 282 HH21 ARG 21 HH21 ARG 21 12.816 8.865 -17.012 283 HH22 ARG 21 HH22 ARG 21 9.593 6.217 -19.260 284 HH22 ARG 21 HH22 ARG 21 12.529 7.249 -17.564 285 H VAL 22 H VAL 22 6.662 7.667 -12.558 286 H VAL 22 H VAL 22 6.628 8.218 -12.462 287 HA VAL 22 HA VAL 22 7.644 6.430 -10.165 288 HA VAL 22 HA VAL 22 7.949 7.342 -10.046 289 HB VAL 22 HB VAL 22 5.308 5.853 -11.971 290 HB VAL 22 HB VAL 22 5.471 6.372 -11.467 291 HG11 VAL 22 HG11 VAL 22 4.793 4.302 -9.833 292 HG11 VAL 22 HG11 VAL 22 6.440 4.448 -10.418 293 HG12 VAL 22 HG12 VAL 22 5.535 3.704 -11.318 294 HG12 VAL 22 HG12 VAL 22 6.744 5.349 -8.932 295 HG13 VAL 22 HG13 VAL 22 6.544 4.119 -9.932 296 HG13 VAL 22 HG13 VAL 22 5.088 4.993 -9.425 297 HG21 VAL 22 HG21 VAL 22 5.392 7.782 -10.272 298 HG21 VAL 22 HG21 VAL 22 5.609 8.597 -10.135 299 HG22 VAL 22 HG22 VAL 22 3.987 6.718 -10.253 300 HG22 VAL 22 HG22 VAL 22 4.252 7.504 -9.856 301 HG23 VAL 22 HG23 VAL 22 5.259 6.520 -9.047 302 HG23 VAL 22 HG23 VAL 22 5.599 7.547 -8.718 303 H TYR 23 H TYR 23 8.993 4.768 -9.999 304 H TYR 23 H TYR 23 9.002 5.419 -9.712 305 HA TYR 23 HA TYR 23 9.101 2.715 -12.036 306 HA TYR 23 HA TYR 23 9.119 3.342 -11.663 307 HB2 TYR 23 HB2 TYR 23 11.566 2.932 -12.325 308 HB2 TYR 23 HB2 TYR 23 11.319 3.577 -12.473 309 HB3 TYR 23 HB3 TYR 23 10.666 4.296 -12.977 310 HB3 TYR 23 HB3 TYR 23 10.626 5.190 -12.600 311 HD1 TYR 23 HD1 TYR 23 11.145 6.483 -12.281 312 HD1 TYR 23 HD1 TYR 23 11.025 6.706 -10.450 313 HD2 TYR 23 HD2 TYR 23 12.643 3.199 -10.028 314 HD2 TYR 23 HD2 TYR 23 13.430 3.379 -11.564 315 HE1 TYR 23 HE1 TYR 23 12.514 8.031 -10.946 316 HE1 TYR 23 HE1 TYR 23 12.887 7.617 -9.125 317 HE2 TYR 23 HE2 TYR 23 14.014 4.738 -8.686 318 HE2 TYR 23 HE2 TYR 23 15.298 4.278 -10.242 319 HH TYR 23 HH TYR 23 14.543 6.854 -8.277 320 HH TYR 23 HH TYR 23 15.481 7.381 -9.193 321 H TYR 24 H TYR 24 11.130 1.213 -11.364 322 H TYR 24 H TYR 24 11.014 1.781 -11.050 323 HA TYR 24 HA TYR 24 10.906 0.810 -8.453 324 HA TYR 24 HA TYR 24 11.035 1.589 -8.112 325 HB2 TYR 24 HB2 TYR 24 10.810 -1.162 -10.714 326 HB2 TYR 24 HB2 TYR 24 11.344 -0.654 -10.117 327 HB3 TYR 24 HB3 TYR 24 11.341 -1.669 -9.114 328 HB3 TYR 24 HB3 TYR 24 11.201 -0.817 -8.371 329 HD1 TYR 24 HD1 TYR 24 9.708 -2.750 -7.912 330 HD1 TYR 24 HD1 TYR 24 9.023 -0.107 -7.273 331 HD2 TYR 24 HD2 TYR 24 8.569 0.456 -10.466 332 HD2 TYR 24 HD2 TYR 24 9.431 -0.593 -11.479 333 HE1 TYR 24 HE1 TYR 24 7.365 -3.041 -7.222 334 HE1 TYR 24 HE1 TYR 24 6.578 -0.278 -7.484 335 HE2 TYR 24 HE2 TYR 24 6.223 0.176 -9.783 336 HE2 TYR 24 HE2 TYR 24 6.988 -0.764 -11.702 337 HH TYR 24 HH TYR 24 5.148 -2.545 -7.978 338 HH TYR 24 HH TYR 24 4.930 -1.231 -9.062 339 H PHE 25 H PHE 25 12.757 0.894 -7.377 340 H PHE 25 H PHE 25 12.935 0.704 -7.099 341 HA PHE 25 HA PHE 25 15.256 0.303 -8.818 342 HA PHE 25 HA PHE 25 15.389 0.910 -8.700 343 HB2 PHE 25 HB2 PHE 25 15.062 2.720 -8.493 344 HB2 PHE 25 HB2 PHE 25 14.782 2.975 -7.205 345 HB3 PHE 25 HB3 PHE 25 14.802 2.481 -6.768 346 HB3 PHE 25 HB3 PHE 25 15.346 1.950 -5.890 347 HD1 PHE 25 HD1 PHE 25 16.603 2.456 -5.306 348 HD1 PHE 25 HD1 PHE 25 17.531 2.205 -5.262 349 HD2 PHE 25 HD2 PHE 25 17.282 1.898 -9.471 350 HD2 PHE 25 HD2 PHE 25 16.455 2.949 -9.313 351 HE1 PHE 25 HE1 PHE 25 19.030 2.579 -4.924 352 HE1 PHE 25 HE1 PHE 25 19.854 2.847 -5.758 353 HE2 PHE 25 HE2 PHE 25 19.710 2.019 -9.095 354 HE2 PHE 25 HE2 PHE 25 18.776 3.591 -9.815 355 HZ PHE 25 HZ PHE 25 20.587 2.360 -6.819 356 HZ PHE 25 HZ PHE 25 20.479 3.540 -8.036 357 H ASN 26 H ASN 26 16.112 -1.486 -8.006 358 H ASN 26 H ASN 26 17.077 -0.426 -8.078 359 HA ASN 26 HA ASN 26 15.553 -2.280 -5.267 360 HA ASN 26 HA ASN 26 16.388 -2.445 -6.046 361 HB2 ASN 26 HB2 ASN 26 15.543 -3.840 -7.319 362 HB2 ASN 26 HB2 ASN 26 16.539 -3.168 -8.500 363 HB3 ASN 26 HB3 ASN 26 17.299 -3.781 -7.206 364 HB3 ASN 26 HB3 ASN 26 18.273 -2.898 -8.354 365 HD21 ASN 26 HD21 ASN 26 15.293 -5.953 -6.792 366 HD21 ASN 26 HD21 ASN 26 16.449 -5.319 -8.678 367 HD22 ASN 26 HD22 ASN 26 15.667 -6.606 -5.237 368 HD22 ASN 26 HD22 ASN 26 17.037 -6.431 -7.494 369 H HIS 27 H HIS 27 16.890 -1.980 -3.610 370 H HIS 27 H HIS 27 17.547 -2.219 -4.258 371 HA HIS 27 HA HIS 27 19.426 -0.674 -4.033 372 HA HIS 27 HA HIS 27 20.161 -0.934 -4.363 373 HB2 HIS 27 HB2 HIS 27 19.529 -0.731 -1.511 374 HB2 HIS 27 HB2 HIS 27 20.005 -0.791 -1.951 375 HB3 HIS 27 HB3 HIS 27 18.136 0.112 -2.184 376 HB3 HIS 27 HB3 HIS 27 18.491 -0.233 -2.658 377 HD1 HIS 27 HD1 HIS 27 18.988 -3.299 -0.743 378 HD1 HIS 27 HD1 HIS 27 16.387 -1.438 -1.985 379 HD2 HIS 27 HD2 HIS 27 15.755 -0.728 -1.190 380 HD2 HIS 27 HD2 HIS 27 19.831 -3.388 -0.722 381 HE1 HIS 27 HE1 HIS 27 17.097 -4.372 0.520 382 HE1 HIS 27 HE1 HIS 27 15.600 -3.268 -0.450 383 H ILE 28 H ILE 28 18.326 -3.882 -3.637 384 H ILE 28 H ILE 28 19.668 -3.690 -5.367 385 HA ILE 28 HA ILE 28 20.785 -4.926 -2.551 386 HA ILE 28 HA ILE 28 21.600 -5.096 -3.641 387 HB ILE 28 HB ILE 28 18.353 -6.297 -3.694 388 HB ILE 28 HB ILE 28 19.463 -6.401 -5.328 389 HG12 ILE 28 HG12 ILE 28 19.384 -5.814 -0.900 390 HG12 ILE 28 HG12 ILE 28 19.582 -5.769 -2.382 391 HG13 ILE 28 HG13 ILE 28 17.845 -5.306 -1.590 392 HG13 ILE 28 HG13 ILE 28 18.322 -5.343 -3.535 393 HG21 ILE 28 HG21 ILE 28 20.762 -7.545 -2.378 394 HG21 ILE 28 HG21 ILE 28 20.815 -7.863 -3.158 395 HG22 ILE 28 HG22 ILE 28 19.297 -8.390 -2.879 396 HG22 ILE 28 HG22 ILE 28 20.327 -8.405 -4.763 397 HG23 ILE 28 HG23 ILE 28 20.349 -7.654 -4.089 398 HG23 ILE 28 HG23 ILE 28 21.812 -7.474 -4.560 399 HD11 ILE 28 HD11 ILE 28 18.699 -8.049 -0.743 400 HD11 ILE 28 HD11 ILE 28 17.765 -7.740 -3.740 401 HD12 ILE 28 HD12 ILE 28 17.329 -7.093 -0.180 402 HD12 ILE 28 HD12 ILE 28 18.951 -8.087 -2.482 403 HD13 ILE 28 HD13 ILE 28 17.315 -7.782 -1.802 404 HD13 ILE 28 HD13 ILE 28 17.538 -7.101 -2.112 405 H THR 29 H THR 29 19.129 -5.050 -5.696 406 H THR 29 H THR 29 20.358 -4.821 -6.960 407 HA THR 29 HA THR 29 21.510 -6.206 -6.924 408 HA THR 29 HA THR 29 23.051 -5.529 -7.928 409 HB THR 29 HB THR 29 19.954 -6.065 -9.022 410 HB THR 29 HB THR 29 22.126 -6.578 -9.851 411 HG1 THR 29 HG1 THR 29 17.778 -5.970 -8.524 412 HG1 THR 29 HG1 THR 29 20.104 -6.257 -10.521 413 HG21 THR 29 HG21 THR 29 19.649 -7.946 -6.697 414 HG21 THR 29 HG21 THR 29 20.667 -8.336 -8.876 415 HG22 THR 29 HG22 THR 29 18.769 -8.184 -8.206 416 HG22 THR 29 HG22 THR 29 22.105 -8.014 -7.907 417 HG23 THR 29 HG23 THR 29 20.532 -8.191 -8.202 418 HG23 THR 29 HG23 THR 29 20.542 -7.370 -7.405 419 H ASN 30 H ASN 30 20.040 -3.170 -6.459 420 H ASN 30 H ASN 30 21.907 -2.883 -7.264 421 HA ASN 30 HA ASN 30 20.584 -1.069 -7.138 422 HA ASN 30 HA ASN 30 21.384 -0.846 -8.276 423 HB2 ASN 30 HB2 ASN 30 22.969 -2.317 -6.962 424 HB2 ASN 30 HB2 ASN 30 24.073 -1.599 -8.322 425 HB3 ASN 30 HB3 ASN 30 22.972 -1.917 -8.678 426 HB3 ASN 30 HB3 ASN 30 23.776 -0.922 -9.921 427 HD21 ASN 30 HD21 ASN 30 21.581 0.481 -8.607 428 HD21 ASN 30 HD21 ASN 30 21.798 0.942 -9.185 429 HD22 ASN 30 HD22 ASN 30 22.545 1.660 -7.790 430 HD22 ASN 30 HD22 ASN 30 22.557 2.187 -8.258 431 H ALA 31 H ALA 31 19.152 -3.077 -8.891 432 H ALA 31 H ALA 31 19.575 -1.416 -9.581 433 HA ALA 31 HA ALA 31 19.658 -1.893 -11.528 434 HA ALA 31 HA ALA 31 19.943 -0.842 -12.342 435 HB1 ALA 31 HB1 ALA 31 19.663 -4.339 -11.413 436 HB1 ALA 31 HB1 ALA 31 20.637 -3.231 -12.285 437 HB2 ALA 31 HB2 ALA 31 18.010 -4.312 -10.802 438 HB2 ALA 31 HB2 ALA 31 19.013 -3.644 -11.738 439 HB3 ALA 31 HB3 ALA 31 18.356 -3.740 -12.434 440 HB3 ALA 31 HB3 ALA 31 19.249 -2.914 -13.326 441 H SER 32 H SER 32 18.124 -0.752 -12.627 442 H SER 32 H SER 32 17.995 -0.401 -13.411 443 HA SER 32 HA SER 32 15.715 -0.033 -11.099 444 HA SER 32 HA SER 32 15.629 -0.366 -11.654 445 HB2 SER 32 HB2 SER 32 16.453 1.637 -13.417 446 HB2 SER 32 HB2 SER 32 14.921 1.667 -12.726 447 HB3 SER 32 HB3 SER 32 15.954 2.114 -11.793 448 HB3 SER 32 HB3 SER 32 16.609 1.876 -12.259 449 HG SER 32 HG SER 32 18.095 2.677 -12.057 450 HG SER 32 HG SER 32 15.630 2.252 -14.619 451 H GLN 33 H GLN 33 13.704 0.079 -12.129 452 H GLN 33 H GLN 33 13.715 -1.133 -12.409 453 HA GLN 33 HA GLN 33 13.419 -0.700 -14.887 454 HA GLN 33 HA GLN 33 13.811 -2.570 -14.955 455 HB2 GLN 33 HB2 GLN 33 13.681 -2.900 -13.992 456 HB2 GLN 33 HB2 GLN 33 11.880 -2.735 -12.636 457 HB3 GLN 33 HB3 GLN 33 12.589 -2.555 -12.658 458 HB3 GLN 33 HB3 GLN 33 11.734 -3.676 -14.114 459 HG2 GLN 33 HG2 GLN 33 10.701 -2.602 -14.045 460 HG2 GLN 33 HG2 GLN 33 14.327 -4.146 -13.276 461 HG3 GLN 33 HG3 GLN 33 11.674 -2.494 -15.511 462 HG3 GLN 33 HG3 GLN 33 13.388 -4.123 -11.785 463 HE21 GLN 33 HE21 GLN 33 9.849 -4.518 -13.752 464 HE21 GLN 33 HE21 GLN 33 11.124 -5.279 -12.240 465 HE22 GLN 33 HE22 GLN 33 10.554 -6.032 -14.192 466 HE22 GLN 33 HE22 GLN 33 11.293 -6.873 -12.884 467 H PHE 34 H PHE 34 11.819 0.493 -15.659 468 H PHE 34 H PHE 34 11.779 -0.257 -13.194 469 HA PHE 34 HA PHE 34 10.069 1.970 -13.994 470 HA PHE 34 HA PHE 34 10.285 1.302 -13.907 471 HB2 PHE 34 HB2 PHE 34 10.278 1.520 -16.953 472 HB2 PHE 34 HB2 PHE 34 12.280 1.207 -15.910 473 HB3 PHE 34 HB3 PHE 34 8.877 2.354 -16.288 474 HB3 PHE 34 HB3 PHE 34 10.730 1.286 -16.743 475 HD1 PHE 34 HD1 PHE 34 12.439 2.549 -16.993 476 HD1 PHE 34 HD1 PHE 34 13.287 3.251 -15.756 477 HD2 PHE 34 HD2 PHE 34 9.122 4.525 -15.199 478 HD2 PHE 34 HD2 PHE 34 9.063 3.002 -15.301 479 HE1 PHE 34 HE1 PHE 34 13.717 4.652 -16.953 480 HE1 PHE 34 HE1 PHE 34 13.193 5.673 -15.337 481 HE2 PHE 34 HE2 PHE 34 10.394 6.629 -15.157 482 HE2 PHE 34 HE2 PHE 34 8.962 5.425 -14.883 483 HZ PHE 34 HZ PHE 34 12.695 6.696 -16.035 484 HZ PHE 34 HZ PHE 34 11.028 6.764 -14.901 485 H GLU 35 H GLU 35 9.550 -0.839 -16.109 486 H GLU 35 H GLU 35 9.671 -1.585 -13.948 487 HA GLU 35 HA GLU 35 6.800 -1.121 -15.638 488 HA GLU 35 HA GLU 35 7.196 -1.392 -15.459 489 HB2 GLU 35 HB2 GLU 35 8.959 -2.980 -16.563 490 HB2 GLU 35 HB2 GLU 35 9.448 -3.095 -16.246 491 HB3 GLU 35 HB3 GLU 35 7.356 -3.613 -16.214 492 HB3 GLU 35 HB3 GLU 35 7.933 -3.970 -16.070 493 HG2 GLU 35 HG2 GLU 35 7.813 -3.017 -18.611 494 HG2 GLU 35 HG2 GLU 35 8.467 -1.606 -17.850 495 HG3 GLU 35 HG3 GLU 35 6.360 -2.315 -17.904 496 HG3 GLU 35 HG3 GLU 35 8.175 -3.273 -18.345 497 H ARG 36 H ARG 36 5.696 -2.763 -14.385 498 H ARG 36 H ARG 36 5.535 -2.569 -14.585 499 HA ARG 36 HA ARG 36 6.717 -2.891 -11.697 500 HA ARG 36 HA ARG 36 5.486 -3.169 -11.922 501 HB2 ARG 36 HB2 ARG 36 4.335 -2.471 -12.131 502 HB2 ARG 36 HB2 ARG 36 3.434 -3.018 -13.136 503 HB3 ARG 36 HB3 ARG 36 4.194 -4.050 -12.891 504 HB3 ARG 36 HB3 ARG 36 3.877 -4.364 -14.176 505 HG2 ARG 36 HG2 ARG 36 4.742 -5.124 -10.766 506 HG2 ARG 36 HG2 ARG 36 2.225 -5.075 -12.578 507 HG3 ARG 36 HG3 ARG 36 4.882 -3.538 -10.005 508 HG3 ARG 36 HG3 ARG 36 3.761 -5.873 -12.237 509 HD2 ARG 36 HD2 ARG 36 2.525 -3.089 -10.568 510 HD2 ARG 36 HD2 ARG 36 4.212 -4.236 -10.472 511 HD3 ARG 36 HD3 ARG 36 2.400 -4.706 -11.259 512 HD3 ARG 36 HD3 ARG 36 2.673 -3.447 -10.814 513 HE ARG 36 HE ARG 36 2.382 -4.005 -8.470 514 HE ARG 36 HE ARG 36 2.035 -6.059 -10.288 515 HH11 ARG 36 HH11 ARG 36 3.001 -6.523 -10.792 516 HH11 ARG 36 HH11 ARG 36 3.681 -3.502 -8.593 517 HH12 ARG 36 HH12 ARG 36 2.742 -7.809 -9.661 518 HH12 ARG 36 HH12 ARG 36 3.214 -4.065 -7.022 519 HH21 ARG 36 HH21 ARG 36 2.040 -5.689 -6.971 520 HH21 ARG 36 HH21 ARG 36 1.413 -6.810 -8.226 521 HH22 ARG 36 HH22 ARG 36 2.195 -7.334 -7.488 522 HH22 ARG 36 HH22 ARG 36 1.925 -5.947 -6.814 523 HA PRO 37 HA PRO 37 8.726 -6.816 -12.322 524 HA PRO 37 HA PRO 37 8.211 -6.760 -11.960 525 HB2 PRO 37 HB2 PRO 37 9.522 -7.136 -9.746 526 HB2 PRO 37 HB2 PRO 37 8.545 -6.808 -9.266 527 HB3 PRO 37 HB3 PRO 37 10.335 -6.044 -10.875 528 HB3 PRO 37 HB3 PRO 37 9.435 -5.707 -10.325 529 HG2 PRO 37 HG2 PRO 37 8.316 -5.417 -8.755 530 HG2 PRO 37 HG2 PRO 37 7.004 -5.181 -8.660 531 HG3 PRO 37 HG3 PRO 37 9.804 -4.548 -9.176 532 HG3 PRO 37 HG3 PRO 37 8.445 -4.172 -8.886 533 HD2 PRO 37 HD2 PRO 37 7.357 -3.730 -9.997 534 HD2 PRO 37 HD2 PRO 37 6.121 -3.707 -10.196 535 HD3 PRO 37 HD3 PRO 37 8.822 -3.480 -10.967 536 HD3 PRO 37 HD3 PRO 37 7.706 -3.352 -10.910 537 H SER 38 H SER 38 8.573 -9.005 -11.410 538 H SER 38 H SER 38 7.702 -8.867 -11.797 539 HA SER 38 HA SER 38 6.241 -9.553 -9.754 540 HA SER 38 HA SER 38 5.699 -9.774 -9.901 541 HB2 SER 38 HB2 SER 38 5.433 -9.527 -12.124 542 HB2 SER 38 HB2 SER 38 5.258 -9.657 -12.847 543 HB3 SER 38 HB3 SER 38 6.555 -10.841 -12.476 544 HB3 SER 38 HB3 SER 38 4.668 -11.078 -11.986 545 HG SER 38 HG SER 38 4.584 -10.990 -10.447 546 HG SER 38 HG SER 38 3.555 -8.681 -12.131 547 H GLY 39 H GLY 39 6.054 -12.120 -9.613 548 H GLY 39 H GLY 39 8.250 -10.385 -9.628 549 HA2 GLY 39 HA2 GLY 39 8.566 -12.968 -8.495 550 HA2 GLY 39 HA2 GLY 39 9.386 -12.471 -11.040 551 HA3 GLY 39 HA3 GLY 39 7.064 -13.879 -8.497 552 HA3 GLY 39 HA3 GLY 39 9.646 -12.184 -9.326 Start of MODEL 7 1 H1 SER 5 H SER 5 0.355 -0.869 -3.292 2 H1 SER 5 H SER 5 1.266 0.998 -2.440 3 HA SER 5 HA SER 5 2.082 -0.234 -0.992 4 HA SER 5 HA SER 5 3.073 0.125 -0.445 5 HB2 SER 5 HB2 SER 5 0.141 -0.380 0.194 6 HB2 SER 5 HB2 SER 5 0.052 0.264 -0.305 7 HB3 SER 5 HB3 SER 5 -0.668 -1.338 -1.047 8 HB3 SER 5 HB3 SER 5 1.159 0.203 1.066 9 HG SER 5 HG SER 5 0.808 -2.151 1.141 10 HG SER 5 HG SER 5 0.298 2.338 -0.222 11 H LYS 6 H LYS 6 0.476 -3.070 -2.446 12 H LYS 6 H LYS 6 3.446 -1.836 -2.104 13 HA LYS 6 HA LYS 6 2.313 -4.985 -1.691 14 HA LYS 6 HA LYS 6 2.834 -4.167 -0.681 15 HB2 LYS 6 HB2 LYS 6 1.471 -6.332 -3.568 16 HB2 LYS 6 HB2 LYS 6 1.395 -5.250 -2.502 17 HB3 LYS 6 HB3 LYS 6 0.164 -5.550 -2.690 18 HB3 LYS 6 HB3 LYS 6 0.604 -4.114 -1.417 19 HG2 LYS 6 HG2 LYS 6 0.734 -3.725 -4.651 20 HG2 LYS 6 HG2 LYS 6 0.839 -2.360 -3.134 21 HG3 LYS 6 HG3 LYS 6 0.988 -5.267 -5.469 22 HG3 LYS 6 HG3 LYS 6 1.539 -3.557 -4.225 23 HD2 LYS 6 HD2 LYS 6 -1.301 -4.634 -5.770 24 HD2 LYS 6 HD2 LYS 6 -0.742 -3.414 -4.813 25 HD3 LYS 6 HD3 LYS 6 -1.254 -5.990 -4.641 26 HD3 LYS 6 HD3 LYS 6 -0.585 -4.904 -3.879 27 HE2 LYS 6 HE2 LYS 6 -1.901 -4.711 -2.864 28 HE2 LYS 6 HE2 LYS 6 -1.492 -3.855 -1.931 29 HE3 LYS 6 HE3 LYS 6 -1.168 -3.244 -3.514 30 HE3 LYS 6 HE3 LYS 6 -1.445 -2.269 -2.697 31 HZ1 LYS 6 HZ1 LYS 6 -3.684 -4.507 -4.460 32 HZ1 LYS 6 HZ1 LYS 6 -3.668 -3.061 -2.777 33 HZ2 LYS 6 HZ2 LYS 6 -3.562 -3.082 -3.557 34 HZ2 LYS 6 HZ2 LYS 6 -3.056 -3.152 -4.352 35 HZ3 LYS 6 HZ3 LYS 6 -2.971 -3.132 -5.141 36 HZ3 LYS 6 HZ3 LYS 6 -3.195 -4.554 -3.414 37 H LEU 7 H LEU 7 4.386 -5.292 -2.138 38 H LEU 7 H LEU 7 5.165 -4.002 -1.142 39 HA LEU 7 HA LEU 7 5.455 -4.954 -4.772 40 HA LEU 7 HA LEU 7 5.800 -5.310 -3.700 41 HB2 LEU 7 HB2 LEU 7 5.575 -2.749 -2.960 42 HB2 LEU 7 HB2 LEU 7 7.574 -3.294 -2.340 43 HB3 LEU 7 HB3 LEU 7 7.205 -3.368 -3.220 44 HB3 LEU 7 HB3 LEU 7 7.813 -4.042 -3.918 45 HG LEU 7 HG LEU 7 6.409 -3.219 -5.765 46 HG LEU 7 HG LEU 7 5.790 -1.948 -3.154 47 HD11 LEU 7 HD11 LEU 7 5.265 -0.768 -5.601 48 HD11 LEU 7 HD11 LEU 7 6.932 -0.541 -4.627 49 HD12 LEU 7 HD12 LEU 7 4.379 -2.271 -5.864 50 HD12 LEU 7 HD12 LEU 7 8.210 -1.376 -3.745 51 HD13 LEU 7 HD13 LEU 7 4.504 -1.592 -4.240 52 HD13 LEU 7 HD13 LEU 7 7.795 -1.880 -5.383 53 HD21 LEU 7 HD21 LEU 7 7.388 -0.849 -5.706 54 HD21 LEU 7 HD21 LEU 7 5.627 -3.999 -5.189 55 HD22 LEU 7 HD22 LEU 7 7.586 -1.121 -3.974 56 HD22 LEU 7 HD22 LEU 7 4.418 -2.821 -4.675 57 HD23 LEU 7 HD23 LEU 7 8.398 -2.176 -5.132 58 HD23 LEU 7 HD23 LEU 7 5.618 -2.381 -5.890 59 HA PRO 8 HA PRO 8 8.211 -8.021 -3.253 60 HA PRO 8 HA PRO 8 7.902 -8.344 -1.320 61 HB2 PRO 8 HB2 PRO 8 10.286 -7.701 -4.975 62 HB2 PRO 8 HB2 PRO 8 9.848 -9.097 -3.057 63 HB3 PRO 8 HB3 PRO 8 8.748 -8.432 -5.449 64 HB3 PRO 8 HB3 PRO 8 8.147 -9.526 -3.275 65 HG2 PRO 8 HG2 PRO 8 9.725 -5.634 -5.870 66 HG2 PRO 8 HG2 PRO 8 9.725 -7.329 -4.558 67 HG3 PRO 8 HG3 PRO 8 8.869 -6.702 -6.999 68 HG3 PRO 8 HG3 PRO 8 8.553 -8.439 -5.291 69 HD2 PRO 8 HD2 PRO 8 7.618 -4.732 -5.625 70 HD2 PRO 8 HD2 PRO 8 7.922 -5.896 -4.608 71 HD3 PRO 8 HD3 PRO 8 6.812 -6.252 -6.061 72 HD3 PRO 8 HD3 PRO 8 6.744 -7.224 -4.541 73 HA PRO 9 HA PRO 9 11.023 -6.097 -0.454 74 HA PRO 9 HA PRO 9 11.493 -6.785 0.681 75 HB2 PRO 9 HB2 PRO 9 12.626 -8.220 0.095 76 HB2 PRO 9 HB2 PRO 9 13.024 -8.995 1.053 77 HB3 PRO 9 HB3 PRO 9 10.978 -8.072 0.720 78 HB3 PRO 9 HB3 PRO 9 11.531 -8.697 1.952 79 HG2 PRO 9 HG2 PRO 9 11.981 -9.640 -1.626 80 HG2 PRO 9 HG2 PRO 9 11.984 -10.437 -0.441 81 HG3 PRO 9 HG3 PRO 9 10.814 -10.116 -0.378 82 HG3 PRO 9 HG3 PRO 9 11.034 -10.769 1.019 83 HD2 PRO 9 HD2 PRO 9 10.056 -9.286 -2.842 84 HD2 PRO 9 HD2 PRO 9 9.898 -9.991 -1.312 85 HD3 PRO 9 HD3 PRO 9 9.081 -8.982 -1.389 86 HD3 PRO 9 HD3 PRO 9 9.225 -9.552 0.272 87 H GLY 10 H GLY 10 12.998 -5.095 -0.451 88 H GLY 10 H GLY 10 12.675 -5.437 -0.588 89 HA2 GLY 10 HA2 GLY 10 15.250 -4.776 -1.085 90 HA2 GLY 10 HA2 GLY 10 15.089 -5.451 -1.367 91 HA3 GLY 10 HA3 GLY 10 15.019 -5.923 -2.397 92 HA3 GLY 10 HA3 GLY 10 14.546 -6.672 -2.510 93 H TRP 11 H TRP 11 12.530 -4.604 -3.274 94 H TRP 11 H TRP 11 11.936 -5.187 -2.781 95 HA TRP 11 HA TRP 11 13.774 -2.632 -4.975 96 HA TRP 11 HA TRP 11 12.879 -3.348 -4.840 97 HB2 TRP 11 HB2 TRP 11 11.008 -3.818 -4.834 98 HB2 TRP 11 HB2 TRP 11 10.251 -4.684 -4.264 99 HB3 TRP 11 HB3 TRP 11 11.392 -2.482 -5.915 100 HB3 TRP 11 HB3 TRP 11 10.325 -3.293 -5.341 101 HD1 TRP 11 HD1 TRP 11 11.692 -6.216 -5.590 102 HD1 TRP 11 HD1 TRP 11 11.557 -6.928 -5.078 103 HE1 TRP 11 HE1 TRP 11 12.820 -7.176 -7.695 104 HE1 TRP 11 HE1 TRP 11 12.134 -7.760 -7.444 105 HE3 TRP 11 HE3 TRP 11 13.252 -1.848 -7.740 106 HE3 TRP 11 HE3 TRP 11 10.964 -2.547 -7.646 107 HZ2 TRP 11 HZ2 TRP 11 14.192 -6.211 -9.965 108 HZ2 TRP 11 HZ2 TRP 11 12.315 -6.699 -10.054 109 HZ3 TRP 11 HZ3 TRP 11 14.467 -1.954 -9.878 110 HZ3 TRP 11 HZ3 TRP 11 11.358 -2.541 -10.074 111 HH2 TRP 11 HH2 TRP 11 14.926 -4.091 -10.966 112 HH2 TRP 11 HH2 TRP 11 12.020 -4.575 -11.252 113 H GLU 12 H GLU 12 12.921 -0.475 -5.282 114 H GLU 12 H GLU 12 12.584 -1.182 -4.805 115 HA GLU 12 HA GLU 12 11.456 0.620 -2.991 116 HA GLU 12 HA GLU 12 10.905 -0.006 -2.719 117 HB2 GLU 12 HB2 GLU 12 14.041 1.750 -4.078 118 HB2 GLU 12 HB2 GLU 12 13.167 -0.111 -1.773 119 HB3 GLU 12 HB3 GLU 12 13.023 2.528 -2.874 120 HB3 GLU 12 HB3 GLU 12 13.797 0.747 -3.172 121 HG2 GLU 12 HG2 GLU 12 13.988 -0.228 -2.335 122 HG2 GLU 12 HG2 GLU 12 12.081 2.576 -2.486 123 HG3 GLU 12 HG3 GLU 12 15.130 1.108 -2.197 124 HG3 GLU 12 HG3 GLU 12 12.132 1.767 -0.921 125 H LYS 13 H LYS 13 9.965 2.101 -3.531 126 H LYS 13 H LYS 13 9.506 1.192 -3.820 127 HA LYS 13 HA LYS 13 9.827 2.908 -6.350 128 HA LYS 13 HA LYS 13 10.055 2.260 -6.407 129 HB2 LYS 13 HB2 LYS 13 7.892 1.678 -5.396 130 HB2 LYS 13 HB2 LYS 13 7.794 1.556 -5.647 131 HB3 LYS 13 HB3 LYS 13 7.664 2.982 -4.240 132 HB3 LYS 13 HB3 LYS 13 7.774 2.917 -4.534 133 HG2 LYS 13 HG2 LYS 13 7.594 4.421 -6.473 134 HG2 LYS 13 HG2 LYS 13 7.955 4.455 -6.444 135 HG3 LYS 13 HG3 LYS 13 7.050 2.877 -7.131 136 HG3 LYS 13 HG3 LYS 13 7.901 3.071 -7.538 137 HD2 LYS 13 HD2 LYS 13 5.591 3.104 -4.812 138 HD2 LYS 13 HD2 LYS 13 5.680 3.161 -7.497 139 HD3 LYS 13 HD3 LYS 13 5.666 4.770 -5.392 140 HD3 LYS 13 HD3 LYS 13 5.716 2.812 -5.768 141 HE2 LYS 13 HE2 LYS 13 4.558 4.266 -7.364 142 HE2 LYS 13 HE2 LYS 13 6.144 5.596 -6.790 143 HE3 LYS 13 HE3 LYS 13 4.973 2.555 -7.278 144 HE3 LYS 13 HE3 LYS 13 4.518 4.948 -6.586 145 HZ1 LYS 13 HZ1 LYS 13 2.827 4.016 -5.918 146 HZ1 LYS 13 HZ1 LYS 13 5.402 6.215 -4.647 147 HZ2 LYS 13 HZ2 LYS 13 2.791 2.500 -6.668 148 HZ2 LYS 13 HZ2 LYS 13 4.887 4.646 -4.281 149 HZ3 LYS 13 HZ3 LYS 13 3.500 2.672 -5.142 150 HZ3 LYS 13 HZ3 LYS 13 6.540 4.984 -4.417 151 H ARG 14 H ARG 14 11.177 4.690 -6.359 152 H ARG 14 H ARG 14 10.681 4.259 -7.012 153 HA ARG 14 HA ARG 14 10.345 6.947 -4.658 154 HA ARG 14 HA ARG 14 10.850 6.361 -4.972 155 HB2 ARG 14 HB2 ARG 14 13.032 6.543 -5.983 156 HB2 ARG 14 HB2 ARG 14 13.089 5.228 -6.603 157 HB3 ARG 14 HB3 ARG 14 12.596 7.818 -4.855 158 HB3 ARG 14 HB3 ARG 14 13.115 6.934 -6.177 159 HG2 ARG 14 HG2 ARG 14 12.280 5.020 -3.934 160 HG2 ARG 14 HG2 ARG 14 12.505 5.470 -3.831 161 HG3 ARG 14 HG3 ARG 14 13.921 5.646 -4.111 162 HG3 ARG 14 HG3 ARG 14 13.887 4.700 -4.612 163 HD2 ARG 14 HD2 ARG 14 11.709 6.882 -2.474 164 HD2 ARG 14 HD2 ARG 14 15.174 6.283 -3.732 165 HD3 ARG 14 HD3 ARG 14 13.090 5.986 -1.844 166 HD3 ARG 14 HD3 ARG 14 14.374 7.442 -4.793 167 HE ARG 14 HE ARG 14 14.258 7.967 -3.249 168 HE ARG 14 HE ARG 14 13.948 7.089 -1.958 169 HH11 ARG 14 HH11 ARG 14 11.766 7.940 -0.818 170 HH11 ARG 14 HH11 ARG 14 12.707 8.381 -4.943 171 HH12 ARG 14 HH12 ARG 14 12.173 9.505 -0.197 172 HH12 ARG 14 HH12 ARG 14 11.686 9.545 -4.167 173 HH21 ARG 14 HH21 ARG 14 14.802 10.030 -2.440 174 HH21 ARG 14 HH21 ARG 14 12.608 8.618 -0.924 175 HH22 ARG 14 HH22 ARG 14 13.899 10.693 -1.121 176 HH22 ARG 14 HH22 ARG 14 11.630 9.680 -1.880 177 H MET 15 H MET 15 10.876 9.126 -5.701 178 H MET 15 H MET 15 11.051 8.522 -5.858 179 HA MET 15 HA MET 15 10.076 9.038 -8.536 180 HA MET 15 HA MET 15 9.909 8.705 -8.567 181 HB2 MET 15 HB2 MET 15 8.468 10.558 -8.155 182 HB2 MET 15 HB2 MET 15 8.544 9.497 -6.541 183 HB3 MET 15 HB3 MET 15 8.665 10.145 -6.456 184 HB3 MET 15 HB3 MET 15 9.683 10.834 -6.450 185 HG2 MET 15 HG2 MET 15 10.360 11.974 -6.297 186 HG2 MET 15 HG2 MET 15 8.628 10.461 -9.126 187 HG3 MET 15 HG3 MET 15 9.917 12.441 -7.937 188 HG3 MET 15 HG3 MET 15 7.364 10.749 -7.932 189 HE1 MET 15 HE1 MET 15 7.787 14.977 -7.577 190 HE1 MET 15 HE1 MET 15 7.594 13.441 -6.285 191 HE2 MET 15 HE2 MET 15 8.452 13.718 -8.618 192 HE2 MET 15 HE2 MET 15 7.098 14.255 -7.770 193 HE3 MET 15 HE3 MET 15 6.756 13.660 -8.137 194 HE3 MET 15 HE3 MET 15 6.535 12.619 -7.431 195 H SER 16 H SER 16 11.194 10.244 -9.992 196 H SER 16 H SER 16 10.877 9.964 -10.069 197 HA SER 16 HA SER 16 13.697 11.409 -9.058 198 HA SER 16 HA SER 16 13.574 10.632 -9.827 199 HB2 SER 16 HB2 SER 16 13.836 9.855 -10.926 200 HB2 SER 16 HB2 SER 16 11.424 11.333 -11.793 201 HB3 SER 16 HB3 SER 16 12.690 10.824 -11.853 202 HB3 SER 16 HB3 SER 16 12.987 12.142 -11.900 203 HG SER 16 HG SER 16 15.381 11.254 -11.339 204 HG SER 16 HG SER 16 12.734 9.326 -11.768 205 H ARG 17 H ARG 17 13.827 13.504 -8.642 206 H ARG 17 H ARG 17 14.224 13.041 -10.559 207 HA ARG 17 HA ARG 17 13.365 15.735 -8.591 208 HA ARG 17 HA ARG 17 14.157 14.634 -8.338 209 HB2 ARG 17 HB2 ARG 17 14.080 15.069 -11.146 210 HB2 ARG 17 HB2 ARG 17 14.444 16.556 -10.152 211 HB3 ARG 17 HB3 ARG 17 12.540 15.875 -11.411 212 HB3 ARG 17 HB3 ARG 17 15.717 15.386 -9.828 213 HG2 ARG 17 HG2 ARG 17 13.347 17.900 -10.840 214 HG2 ARG 17 HG2 ARG 17 15.572 14.482 -11.867 215 HG3 ARG 17 HG3 ARG 17 14.421 17.245 -9.602 216 HG3 ARG 17 HG3 ARG 17 13.807 14.532 -11.869 217 HD2 ARG 17 HD2 ARG 17 15.540 18.271 -11.626 218 HD2 ARG 17 HD2 ARG 17 14.370 16.015 -13.563 219 HD3 ARG 17 HD3 ARG 17 16.050 16.639 -11.197 220 HD3 ARG 17 HD3 ARG 17 14.109 17.076 -12.180 221 HE ARG 17 HE ARG 17 13.950 16.558 -13.094 222 HE ARG 17 HE ARG 17 16.752 16.609 -12.054 223 HH11 ARG 17 HH11 ARG 17 17.348 17.249 -12.787 224 HH11 ARG 17 HH11 ARG 17 14.666 17.595 -14.661 225 HH12 ARG 17 HH12 ARG 17 17.716 16.825 -14.427 226 HH12 ARG 17 HH12 ARG 17 15.895 18.505 -15.474 227 HH21 ARG 17 HH21 ARG 17 14.421 15.999 -15.254 228 HH21 ARG 17 HH21 ARG 17 18.379 17.806 -13.115 229 HH22 ARG 17 HH22 ARG 17 16.050 16.116 -15.830 230 HH22 ARG 17 HH22 ARG 17 18.008 18.624 -14.594 231 H ASN 18 H ASN 18 11.553 17.238 -10.217 232 H ASN 18 H ASN 18 12.511 15.869 -11.212 233 HA ASN 18 HA ASN 18 9.072 16.519 -8.873 234 HA ASN 18 HA ASN 18 10.054 16.264 -9.684 235 HB2 ASN 18 HB2 ASN 18 9.891 18.989 -10.414 236 HB2 ASN 18 HB2 ASN 18 11.676 18.487 -10.925 237 HB3 ASN 18 HB3 ASN 18 8.308 18.768 -9.675 238 HB3 ASN 18 HB3 ASN 18 9.974 18.664 -10.511 239 HD21 ASN 18 HD21 ASN 18 8.119 18.796 -7.437 240 HD21 ASN 18 HD21 ASN 18 9.445 19.187 -8.493 241 HD22 ASN 18 HD22 ASN 18 9.366 19.424 -6.419 242 HD22 ASN 18 HD22 ASN 18 10.547 19.268 -7.165 243 H SER 19 H SER 19 10.141 15.074 -11.268 244 H SER 19 H SER 19 10.769 14.547 -11.893 245 HA SER 19 HA SER 19 8.222 15.710 -13.352 246 HA SER 19 HA SER 19 9.146 15.713 -14.056 247 HB2 SER 19 HB2 SER 19 9.356 14.021 -14.668 248 HB2 SER 19 HB2 SER 19 10.252 14.166 -15.578 249 HB3 SER 19 HB3 SER 19 10.567 15.045 -13.898 250 HB3 SER 19 HB3 SER 19 11.465 15.085 -14.688 251 HG SER 19 HG SER 19 10.660 12.552 -13.813 252 HG SER 19 HG SER 19 11.696 13.278 -13.300 253 H GLY 20 H GLY 20 8.690 13.371 -10.806 254 H GLY 20 H GLY 20 8.394 14.189 -11.512 255 HA2 GLY 20 HA2 GLY 20 7.240 11.826 -9.913 256 HA2 GLY 20 HA2 GLY 20 6.950 12.509 -10.874 257 HA3 GLY 20 HA3 GLY 20 5.978 12.530 -10.913 258 HA3 GLY 20 HA3 GLY 20 6.095 12.967 -12.340 259 H ARG 21 H ARG 21 8.732 11.524 -12.640 260 H ARG 21 H ARG 21 9.320 11.635 -12.424 261 HA ARG 21 HA ARG 21 7.412 9.772 -14.307 262 HA ARG 21 HA ARG 21 8.318 9.382 -13.968 263 HB2 ARG 21 HB2 ARG 21 10.277 10.192 -13.597 264 HB2 ARG 21 HB2 ARG 21 10.655 10.953 -14.038 265 HB3 ARG 21 HB3 ARG 21 9.858 8.760 -14.531 266 HB3 ARG 21 HB3 ARG 21 11.169 9.340 -13.561 267 HG2 ARG 21 HG2 ARG 21 8.966 11.497 -15.368 268 HG2 ARG 21 HG2 ARG 21 11.320 9.321 -15.881 269 HG3 ARG 21 HG3 ARG 21 10.553 10.858 -15.804 270 HG3 ARG 21 HG3 ARG 21 9.785 8.515 -15.550 271 HD2 ARG 21 HD2 ARG 21 7.902 9.562 -16.432 272 HD2 ARG 21 HD2 ARG 21 8.650 10.715 -15.906 273 HD3 ARG 21 HD3 ARG 21 8.889 10.482 -17.569 274 HD3 ARG 21 HD3 ARG 21 10.202 11.368 -16.428 275 HE ARG 21 HE ARG 21 10.535 8.505 -16.608 276 HE ARG 21 HE ARG 21 9.865 10.376 -18.450 277 HH11 ARG 21 HH11 ARG 21 7.478 8.638 -18.269 278 HH11 ARG 21 HH11 ARG 21 7.895 8.753 -16.083 279 HH12 ARG 21 HH12 ARG 21 7.706 7.126 -19.083 280 HH12 ARG 21 HH12 ARG 21 7.116 7.728 -17.243 281 HH21 ARG 21 HH21 ARG 21 10.846 6.512 -17.673 282 HH21 ARG 21 HH21 ARG 21 8.846 9.034 -19.986 283 HH22 ARG 21 HH22 ARG 21 9.622 5.916 -18.743 284 HH22 ARG 21 HH22 ARG 21 7.658 7.889 -19.463 285 H VAL 22 H VAL 22 9.231 9.029 -11.356 286 H VAL 22 H VAL 22 7.406 7.990 -12.491 287 HA VAL 22 HA VAL 22 9.178 7.238 -9.950 288 HA VAL 22 HA VAL 22 8.709 7.232 -10.063 289 HB VAL 22 HB VAL 22 6.706 6.356 -11.443 290 HB VAL 22 HB VAL 22 6.259 6.335 -11.511 291 HG11 VAL 22 HG11 VAL 22 7.601 4.632 -10.018 292 HG11 VAL 22 HG11 VAL 22 7.694 4.769 -9.382 293 HG12 VAL 22 HG12 VAL 22 7.737 5.762 -8.672 294 HG12 VAL 22 HG12 VAL 22 5.966 4.599 -9.686 295 HG13 VAL 22 HG13 VAL 22 6.147 5.295 -9.274 296 HG13 VAL 22 HG13 VAL 22 7.126 4.212 -10.955 297 HG21 VAL 22 HG21 VAL 22 5.642 8.133 -10.640 298 HG21 VAL 22 HG21 VAL 22 5.150 6.991 -9.524 299 HG22 VAL 22 HG22 VAL 22 6.045 7.618 -9.003 300 HG22 VAL 22 HG22 VAL 22 6.658 7.028 -8.610 301 HG23 VAL 22 HG23 VAL 22 7.126 8.703 -9.877 302 HG23 VAL 22 HG23 VAL 22 6.350 8.240 -9.854 303 H TYR 23 H TYR 23 9.842 5.066 -9.853 304 H TYR 23 H TYR 23 9.902 5.441 -9.595 305 HA TYR 23 HA TYR 23 9.887 3.357 -12.123 306 HA TYR 23 HA TYR 23 10.277 3.359 -11.577 307 HB2 TYR 23 HB2 TYR 23 12.260 3.371 -12.608 308 HB2 TYR 23 HB2 TYR 23 12.669 3.608 -11.756 309 HB3 TYR 23 HB3 TYR 23 11.624 5.000 -12.805 310 HB3 TYR 23 HB3 TYR 23 11.917 5.138 -12.194 311 HD1 TYR 23 HD1 TYR 23 11.748 6.433 -10.519 312 HD1 TYR 23 HD1 TYR 23 14.206 3.473 -9.968 313 HD2 TYR 23 HD2 TYR 23 14.292 3.180 -11.545 314 HD2 TYR 23 HD2 TYR 23 11.917 7.016 -10.519 315 HE1 TYR 23 HE1 TYR 23 13.459 7.291 -8.974 316 HE1 TYR 23 HE1 TYR 23 15.603 4.625 -8.304 317 HE2 TYR 23 HE2 TYR 23 16.009 4.029 -10.003 318 HE2 TYR 23 HE2 TYR 23 13.309 8.180 -8.858 319 HH TYR 23 HH TYR 23 15.500 7.018 -8.152 320 HH TYR 23 HH TYR 23 15.994 7.636 -8.000 321 H TYR 24 H TYR 24 11.480 1.464 -11.696 322 H TYR 24 H TYR 24 12.330 1.972 -10.600 323 HA TYR 24 HA TYR 24 11.218 0.765 -8.854 324 HA TYR 24 HA TYR 24 11.719 1.572 -7.745 325 HB2 TYR 24 HB2 TYR 24 11.277 -0.880 -11.371 326 HB2 TYR 24 HB2 TYR 24 12.193 -0.596 -9.802 327 HB3 TYR 24 HB3 TYR 24 11.605 -1.611 -9.804 328 HB3 TYR 24 HB3 TYR 24 11.892 -0.848 -8.087 329 HD1 TYR 24 HD1 TYR 24 9.053 -0.113 -11.953 330 HD1 TYR 24 HD1 TYR 24 10.408 -0.295 -11.326 331 HD2 TYR 24 HD2 TYR 24 9.838 -1.824 -8.137 332 HD2 TYR 24 HD2 TYR 24 9.647 -0.231 -7.140 333 HE1 TYR 24 HE1 TYR 24 6.636 -0.358 -11.572 334 HE1 TYR 24 HE1 TYR 24 7.990 -0.376 -11.769 335 HE2 TYR 24 HE2 TYR 24 7.423 -2.075 -7.746 336 HE2 TYR 24 HE2 TYR 24 7.228 -0.313 -7.572 337 HH TYR 24 HH TYR 24 5.049 -0.930 -10.123 338 HH TYR 24 HH TYR 24 5.923 -1.086 -10.581 339 H PHE 25 H PHE 25 13.000 0.823 -7.674 340 H PHE 25 H PHE 25 13.408 0.871 -6.429 341 HA PHE 25 HA PHE 25 15.576 0.228 -8.975 342 HA PHE 25 HA PHE 25 16.075 0.758 -7.653 343 HB2 PHE 25 HB2 PHE 25 15.586 2.568 -8.486 344 HB2 PHE 25 HB2 PHE 25 15.312 3.019 -6.463 345 HB3 PHE 25 HB3 PHE 25 14.934 2.299 -6.873 346 HB3 PHE 25 HB3 PHE 25 15.809 2.134 -5.025 347 HD1 PHE 25 HD1 PHE 25 16.349 1.912 -5.045 348 HD1 PHE 25 HD1 PHE 25 17.980 2.366 -4.334 349 HD2 PHE 25 HD2 PHE 25 17.917 1.789 -9.000 350 HD2 PHE 25 HD2 PHE 25 17.063 2.877 -8.460 351 HE1 PHE 25 HE1 PHE 25 18.634 1.838 -4.133 352 HE1 PHE 25 HE1 PHE 25 20.326 2.961 -4.779 353 HE2 PHE 25 HE2 PHE 25 20.203 1.715 -8.095 354 HE2 PHE 25 HE2 PHE 25 19.408 3.474 -8.910 355 HZ PHE 25 HZ PHE 25 20.565 1.738 -5.658 356 HZ PHE 25 HZ PHE 25 21.042 3.516 -7.069 357 H ASN 26 H ASN 26 16.597 -1.476 -8.171 358 H ASN 26 H ASN 26 17.207 -0.948 -7.004 359 HA ASN 26 HA ASN 26 15.738 -2.537 -5.576 360 HA ASN 26 HA ASN 26 16.276 -2.414 -4.635 361 HB2 ASN 26 HB2 ASN 26 15.728 -3.946 -7.725 362 HB2 ASN 26 HB2 ASN 26 16.396 -3.511 -6.960 363 HB3 ASN 26 HB3 ASN 26 17.482 -3.968 -7.573 364 HB3 ASN 26 HB3 ASN 26 18.142 -3.500 -6.735 365 HD21 ASN 26 HD21 ASN 26 15.474 -6.120 -7.404 366 HD21 ASN 26 HD21 ASN 26 15.197 -5.028 -5.973 367 HD22 ASN 26 HD22 ASN 26 15.749 -6.886 -5.880 368 HD22 ASN 26 HD22 ASN 26 15.833 -6.253 -4.934 369 H HIS 27 H HIS 27 17.016 -2.428 -3.851 370 H HIS 27 H HIS 27 17.589 -2.803 -2.933 371 HA HIS 27 HA HIS 27 19.674 -1.298 -4.126 372 HA HIS 27 HA HIS 27 20.122 -1.373 -2.863 373 HB2 HIS 27 HB2 HIS 27 19.566 -0.790 -1.866 374 HB2 HIS 27 HB2 HIS 27 20.042 -2.116 -0.406 375 HB3 HIS 27 HB3 HIS 27 17.867 -0.728 -2.324 376 HB3 HIS 27 HB3 HIS 27 18.826 -0.961 -0.943 377 HD1 HIS 27 HD1 HIS 27 16.303 -2.440 -1.278 378 HD1 HIS 27 HD1 HIS 27 19.214 -4.617 -0.085 379 HD2 HIS 27 HD2 HIS 27 20.294 -3.038 -0.289 380 HD2 HIS 27 HD2 HIS 27 16.221 -1.795 -0.671 381 HE1 HIS 27 HE1 HIS 27 16.290 -4.156 0.562 382 HE1 HIS 27 HE1 HIS 27 17.082 -5.737 0.637 383 H ILE 28 H ILE 28 18.280 -4.376 -3.915 384 H ILE 28 H ILE 28 19.629 -4.006 -4.300 385 HA ILE 28 HA ILE 28 20.590 -5.630 -2.672 386 HA ILE 28 HA ILE 28 22.035 -5.322 -3.288 387 HB ILE 28 HB ILE 28 17.974 -6.700 -3.702 388 HB ILE 28 HB ILE 28 19.812 -7.121 -4.104 389 HG12 ILE 28 HG12 ILE 28 19.297 -6.612 -0.984 390 HG12 ILE 28 HG12 ILE 28 20.004 -5.764 -1.410 391 HG13 ILE 28 HG13 ILE 28 17.887 -5.694 -1.503 392 HG13 ILE 28 HG13 ILE 28 18.655 -5.698 -2.539 393 HG21 ILE 28 HG21 ILE 28 20.369 -8.267 -2.762 394 HG21 ILE 28 HG21 ILE 28 20.909 -8.684 -2.707 395 HG22 ILE 28 HG22 ILE 28 18.746 -8.934 -2.931 396 HG22 ILE 28 HG22 ILE 28 22.179 -7.834 -3.588 397 HG23 ILE 28 HG23 ILE 28 19.605 -8.334 -4.350 398 HG23 ILE 28 HG23 ILE 28 21.844 -7.421 -1.906 399 HD11 ILE 28 HD11 ILE 28 18.095 -8.633 -0.952 400 HD11 ILE 28 HD11 ILE 28 19.597 -8.128 -1.037 401 HD12 ILE 28 HD12 ILE 28 17.060 -7.435 -0.174 402 HD12 ILE 28 HD12 ILE 28 18.157 -7.171 -0.690 403 HD13 ILE 28 HD13 ILE 28 16.742 -7.929 -1.838 404 HD13 ILE 28 HD13 ILE 28 18.267 -8.089 -2.193 405 H THR 29 H THR 29 19.117 -5.300 -5.847 406 H THR 29 H THR 29 19.490 -5.740 -5.756 407 HA THR 29 HA THR 29 21.320 -6.856 -7.020 408 HA THR 29 HA THR 29 21.568 -6.363 -7.725 409 HB THR 29 HB THR 29 19.799 -6.628 -9.135 410 HB THR 29 HB THR 29 19.751 -7.150 -9.164 411 HG1 THR 29 HG1 THR 29 17.786 -6.001 -8.779 412 HG1 THR 29 HG1 THR 29 17.899 -6.179 -8.765 413 HG21 THR 29 HG21 THR 29 19.314 -8.419 -6.770 414 HG21 THR 29 HG21 THR 29 18.802 -8.911 -7.490 415 HG22 THR 29 HG22 THR 29 18.417 -8.610 -8.276 416 HG22 THR 29 HG22 THR 29 20.525 -8.906 -7.868 417 HG23 THR 29 HG23 THR 29 20.173 -8.779 -8.268 418 HG23 THR 29 HG23 THR 29 19.950 -8.187 -6.364 419 H ASN 30 H ASN 30 20.234 -3.702 -6.534 420 H ASN 30 H ASN 30 22.282 -4.141 -7.870 421 HA ASN 30 HA ASN 30 20.968 -1.671 -7.250 422 HA ASN 30 HA ASN 30 20.769 -1.932 -8.500 423 HB2 ASN 30 HB2 ASN 30 23.206 -3.197 -7.167 424 HB2 ASN 30 HB2 ASN 30 23.510 -2.610 -9.590 425 HB3 ASN 30 HB3 ASN 30 23.197 -2.750 -8.871 426 HB3 ASN 30 HB3 ASN 30 22.793 -1.002 -9.539 427 HD21 ASN 30 HD21 ASN 30 22.128 -0.222 -8.743 428 HD21 ASN 30 HD21 ASN 30 21.655 -1.011 -7.040 429 HD22 ASN 30 HD22 ASN 30 23.225 0.822 -7.912 430 HD22 ASN 30 HD22 ASN 30 22.899 -1.093 -5.843 431 H ALA 31 H ALA 31 19.293 -3.544 -8.965 432 H ALA 31 H ALA 31 19.165 -1.970 -9.957 433 HA ALA 31 HA ALA 31 19.850 -2.466 -11.628 434 HA ALA 31 HA ALA 31 19.762 -1.993 -12.727 435 HB1 ALA 31 HB1 ALA 31 17.888 -4.581 -10.748 436 HB1 ALA 31 HB1 ALA 31 19.873 -4.374 -12.514 437 HB2 ALA 31 HB2 ALA 31 18.179 -4.082 -12.414 438 HB2 ALA 31 HB2 ALA 31 18.345 -4.418 -11.635 439 HB3 ALA 31 HB3 ALA 31 19.463 -4.860 -11.490 440 HB3 ALA 31 HB3 ALA 31 18.368 -3.968 -13.340 441 H SER 32 H SER 32 18.311 -1.315 -12.822 442 H SER 32 H SER 32 18.312 -0.742 -13.722 443 HA SER 32 HA SER 32 16.057 -0.231 -11.266 444 HA SER 32 HA SER 32 15.902 0.011 -12.261 445 HB2 SER 32 HB2 SER 32 16.437 1.958 -12.179 446 HB2 SER 32 HB2 SER 32 16.386 1.330 -14.837 447 HB3 SER 32 HB3 SER 32 17.971 1.388 -11.522 448 HB3 SER 32 HB3 SER 32 16.100 2.035 -13.246 449 HG SER 32 HG SER 32 17.926 2.362 -13.736 450 HG SER 32 HG SER 32 18.221 1.967 -12.813 451 H GLN 33 H GLN 33 14.131 0.013 -12.317 452 H GLN 33 H GLN 33 13.851 -0.338 -12.963 453 HA GLN 33 HA GLN 33 13.964 -0.291 -15.191 454 HA GLN 33 HA GLN 33 13.346 -1.375 -15.619 455 HB2 GLN 33 HB2 GLN 33 12.309 -2.178 -14.983 456 HB2 GLN 33 HB2 GLN 33 13.877 -3.441 -14.544 457 HB3 GLN 33 HB3 GLN 33 13.977 -2.607 -14.629 458 HB3 GLN 33 HB3 GLN 33 12.911 -3.029 -13.135 459 HG2 GLN 33 HG2 GLN 33 13.376 -3.381 -12.653 460 HG2 GLN 33 HG2 GLN 33 10.884 -3.130 -14.529 461 HG3 GLN 33 HG3 GLN 33 12.745 -1.797 -12.208 462 HG3 GLN 33 HG3 GLN 33 11.879 -3.625 -15.898 463 HE21 GLN 33 HE21 GLN 33 11.973 -4.932 -13.507 464 HE21 GLN 33 HE21 GLN 33 9.902 -4.729 -13.546 465 HE22 GLN 33 HE22 GLN 33 10.261 -4.814 -13.309 466 HE22 GLN 33 HE22 GLN 33 10.471 -6.354 -13.414 467 H PHE 34 H PHE 34 11.273 -0.796 -15.444 468 H PHE 34 H PHE 34 11.972 0.302 -16.028 469 HA PHE 34 HA PHE 34 9.929 1.240 -13.820 470 HA PHE 34 HA PHE 34 9.952 1.127 -14.175 471 HB2 PHE 34 HB2 PHE 34 10.189 1.208 -16.812 472 HB2 PHE 34 HB2 PHE 34 10.070 1.773 -17.121 473 HB3 PHE 34 HB3 PHE 34 8.794 1.957 -16.044 474 HB3 PHE 34 HB3 PHE 34 9.283 2.699 -15.847 475 HD1 PHE 34 HD1 PHE 34 12.517 1.980 -15.916 476 HD1 PHE 34 HD1 PHE 34 12.427 1.933 -17.504 477 HD2 PHE 34 HD2 PHE 34 8.902 4.178 -15.443 478 HD2 PHE 34 HD2 PHE 34 10.599 4.038 -14.288 479 HE1 PHE 34 HE1 PHE 34 13.818 4.040 -15.575 480 HE1 PHE 34 HE1 PHE 34 14.470 3.277 -17.227 481 HE2 PHE 34 HE2 PHE 34 10.198 6.242 -15.102 482 HE2 PHE 34 HE2 PHE 34 12.638 5.386 -14.007 483 HZ PHE 34 HZ PHE 34 12.659 6.174 -15.168 484 HZ PHE 34 HZ PHE 34 14.577 5.007 -15.478 485 H GLU 35 H GLU 35 9.555 -1.282 -16.290 486 H GLU 35 H GLU 35 9.158 -1.174 -13.961 487 HA GLU 35 HA GLU 35 6.794 -1.668 -15.983 488 HA GLU 35 HA GLU 35 6.729 -1.434 -15.478 489 HB2 GLU 35 HB2 GLU 35 9.030 -3.373 -17.022 490 HB2 GLU 35 HB2 GLU 35 9.079 -3.058 -16.121 491 HB3 GLU 35 HB3 GLU 35 7.418 -4.053 -16.845 492 HB3 GLU 35 HB3 GLU 35 7.645 -4.013 -15.775 493 HG2 GLU 35 HG2 GLU 35 7.965 -3.179 -19.119 494 HG2 GLU 35 HG2 GLU 35 7.941 -1.876 -17.869 495 HG3 GLU 35 HG3 GLU 35 6.500 -2.518 -18.393 496 HG3 GLU 35 HG3 GLU 35 7.759 -3.611 -18.127 497 H ARG 36 H ARG 36 5.620 -2.582 -14.431 498 H ARG 36 H ARG 36 5.344 -3.167 -14.651 499 HA ARG 36 HA ARG 36 6.453 -3.228 -11.937 500 HA ARG 36 HA ARG 36 5.263 -3.218 -11.855 501 HB2 ARG 36 HB2 ARG 36 4.097 -3.048 -12.522 502 HB2 ARG 36 HB2 ARG 36 3.293 -3.559 -13.307 503 HB3 ARG 36 HB3 ARG 36 4.192 -4.531 -13.462 504 HB3 ARG 36 HB3 ARG 36 3.934 -5.125 -13.788 505 HG2 ARG 36 HG2 ARG 36 4.857 -5.681 -11.297 506 HG2 ARG 36 HG2 ARG 36 2.330 -5.601 -12.159 507 HG3 ARG 36 HG3 ARG 36 4.343 -4.201 -10.484 508 HG3 ARG 36 HG3 ARG 36 3.876 -5.730 -11.319 509 HD2 ARG 36 HD2 ARG 36 2.116 -4.431 -11.442 510 HD2 ARG 36 HD2 ARG 36 3.583 -3.461 -10.444 511 HD3 ARG 36 HD3 ARG 36 2.626 -5.880 -12.308 512 HD3 ARG 36 HD3 ARG 36 2.036 -3.341 -11.281 513 HE ARG 36 HE ARG 36 2.343 -7.078 -10.382 514 HE ARG 36 HE ARG 36 1.083 -4.545 -9.590 515 HH11 ARG 36 HH11 ARG 36 2.515 -3.693 -9.590 516 HH11 ARG 36 HH11 ARG 36 4.532 -5.008 -9.493 517 HH12 ARG 36 HH12 ARG 36 2.110 -3.928 -7.922 518 HH12 ARG 36 HH12 ARG 36 4.502 -5.900 -8.007 519 HH21 ARG 36 HH21 ARG 36 1.807 -7.401 -8.189 520 HH21 ARG 36 HH21 ARG 36 1.030 -5.717 -7.634 521 HH22 ARG 36 HH22 ARG 36 1.708 -6.038 -7.127 522 HH22 ARG 36 HH22 ARG 36 2.509 -6.303 -6.951 523 HA PRO 37 HA PRO 37 8.976 -6.846 -12.745 524 HA PRO 37 HA PRO 37 8.452 -6.324 -11.287 525 HB2 PRO 37 HB2 PRO 37 9.948 -7.028 -10.217 526 HB2 PRO 37 HB2 PRO 37 8.531 -6.086 -8.583 527 HB3 PRO 37 HB3 PRO 37 10.566 -5.870 -11.402 528 HB3 PRO 37 HB3 PRO 37 9.326 -4.942 -9.672 529 HG2 PRO 37 HG2 PRO 37 8.609 -5.442 -9.176 530 HG2 PRO 37 HG2 PRO 37 6.693 -4.704 -8.268 531 HG3 PRO 37 HG3 PRO 37 9.961 -4.415 -9.692 532 HG3 PRO 37 HG3 PRO 37 7.964 -3.486 -8.476 533 HD2 PRO 37 HD2 PRO 37 7.393 -3.897 -10.380 534 HD2 PRO 37 HD2 PRO 37 5.732 -3.539 -10.008 535 HD3 PRO 37 HD3 PRO 37 8.764 -3.498 -11.435 536 HD3 PRO 37 HD3 PRO 37 7.299 -2.977 -10.624 537 H SER 38 H SER 38 6.782 -7.923 -12.957 538 H SER 38 H SER 38 7.563 -8.286 -11.713 539 HA SER 38 HA SER 38 6.004 -9.384 -10.536 540 HA SER 38 HA SER 38 6.262 -9.660 -9.510 541 HB2 SER 38 HB2 SER 38 4.438 -9.786 -13.006 542 HB2 SER 38 HB2 SER 38 4.378 -10.445 -10.866 543 HB3 SER 38 HB3 SER 38 3.889 -9.472 -11.360 544 HB3 SER 38 HB3 SER 38 4.373 -8.684 -10.764 545 HG SER 38 HG SER 38 3.499 -7.745 -12.905 546 HG SER 38 HG SER 38 4.992 -10.345 -12.940 547 H GLY 39 H GLY 39 8.432 -10.145 -11.634 548 H GLY 39 H GLY 39 8.691 -10.295 -10.062 549 HA2 GLY 39 HA2 GLY 39 8.238 -12.893 -11.794 550 HA2 GLY 39 HA2 GLY 39 10.102 -11.991 -10.694 551 HA3 GLY 39 HA3 GLY 39 8.166 -12.324 -13.456 552 HA3 GLY 39 HA3 GLY 39 8.655 -12.975 -10.862 Start of MODEL 8 1 H1 SER 5 H SER 5 3.036 1.982 -0.981 2 H1 SER 5 H SER 5 3.756 1.273 -1.672 3 HA SER 5 HA SER 5 1.354 0.449 -0.922 4 HA SER 5 HA SER 5 2.813 -0.674 -0.567 5 HB2 SER 5 HB2 SER 5 0.122 0.001 -2.874 6 HB2 SER 5 HB2 SER 5 1.234 1.154 -2.131 7 HB3 SER 5 HB3 SER 5 0.836 1.583 -3.188 8 HB3 SER 5 HB3 SER 5 0.459 -0.431 -2.109 9 HG SER 5 HG SER 5 1.444 0.578 -4.957 10 HG SER 5 HG SER 5 -0.258 0.445 -0.279 11 H LYS 6 H LYS 6 0.853 -1.876 -2.228 12 H LYS 6 H LYS 6 2.546 -2.817 -0.672 13 HA LYS 6 HA LYS 6 2.637 -3.680 -1.145 14 HA LYS 6 HA LYS 6 2.453 -4.939 -1.487 15 HB2 LYS 6 HB2 LYS 6 1.603 -5.366 -2.610 16 HB2 LYS 6 HB2 LYS 6 1.312 -3.813 -4.037 17 HB3 LYS 6 HB3 LYS 6 0.400 -4.322 -1.864 18 HB3 LYS 6 HB3 LYS 6 1.030 -5.395 -3.324 19 HG2 LYS 6 HG2 LYS 6 0.475 -2.973 -4.024 20 HG2 LYS 6 HG2 LYS 6 -0.238 -4.392 -1.521 21 HG3 LYS 6 HG3 LYS 6 1.344 -4.348 -4.709 22 HG3 LYS 6 HG3 LYS 6 0.101 -2.780 -2.154 23 HD2 LYS 6 HD2 LYS 6 -0.966 -4.633 -5.228 24 HD2 LYS 6 HD2 LYS 6 -1.886 -3.029 -3.183 25 HD3 LYS 6 HD3 LYS 6 -0.563 -5.802 -3.967 26 HD3 LYS 6 HD3 LYS 6 -0.956 -3.979 -4.344 27 HE2 LYS 6 HE2 LYS 6 -2.300 -5.000 -2.827 28 HE2 LYS 6 HE2 LYS 6 -1.991 -5.374 -1.938 29 HE3 LYS 6 HE3 LYS 6 -1.346 -3.541 -2.570 30 HE3 LYS 6 HE3 LYS 6 -3.159 -4.907 -3.174 31 HZ1 LYS 6 HZ1 LYS 6 -2.399 -2.451 -4.311 32 HZ1 LYS 6 HZ1 LYS 6 -2.104 -7.190 -3.373 33 HZ2 LYS 6 HZ2 LYS 6 -2.980 -3.881 -5.005 34 HZ2 LYS 6 HZ2 LYS 6 -2.106 -6.227 -4.765 35 HZ3 LYS 6 HZ3 LYS 6 -3.664 -3.297 -3.572 36 HZ3 LYS 6 HZ3 LYS 6 -0.691 -6.389 -3.851 37 H LEU 7 H LEU 7 4.663 -4.196 -1.613 38 H LEU 7 H LEU 7 4.780 -4.913 -1.556 39 HA LEU 7 HA LEU 7 5.546 -4.325 -4.380 40 HA LEU 7 HA LEU 7 5.772 -5.440 -4.230 41 HB2 LEU 7 HB2 LEU 7 6.217 -2.152 -2.610 42 HB2 LEU 7 HB2 LEU 7 7.138 -3.431 -2.447 43 HB3 LEU 7 HB3 LEU 7 7.665 -3.042 -3.077 44 HB3 LEU 7 HB3 LEU 7 7.691 -3.974 -4.029 45 HG LEU 7 HG LEU 7 6.852 -2.729 -5.487 46 HG LEU 7 HG LEU 7 5.130 -2.449 -3.573 47 HD11 LEU 7 HD11 LEU 7 4.870 -1.156 -3.982 48 HD11 LEU 7 HD11 LEU 7 6.447 -0.686 -3.201 49 HD12 LEU 7 HD12 LEU 7 5.564 -0.365 -5.397 50 HD12 LEU 7 HD12 LEU 7 7.898 -1.545 -3.719 51 HD13 LEU 7 HD13 LEU 7 4.753 -1.921 -5.566 52 HD13 LEU 7 HD13 LEU 7 6.848 -0.786 -4.916 53 HD21 LEU 7 HD21 LEU 7 8.727 -1.509 -5.090 54 HD21 LEU 7 HD21 LEU 7 6.531 -2.474 -6.170 55 HD22 LEU 7 HD22 LEU 7 7.584 -0.179 -5.273 56 HD22 LEU 7 HD22 LEU 7 5.768 -3.987 -5.683 57 HD23 LEU 7 HD23 LEU 7 8.052 -0.725 -3.663 58 HD23 LEU 7 HD23 LEU 7 4.806 -2.514 -5.807 59 HA PRO 8 HA PRO 8 7.887 -7.746 -2.936 60 HA PRO 8 HA PRO 8 8.060 -8.564 -2.162 61 HB2 PRO 8 HB2 PRO 8 10.006 -7.697 -4.633 62 HB2 PRO 8 HB2 PRO 8 10.196 -8.821 -3.817 63 HB3 PRO 8 HB3 PRO 8 8.383 -8.186 -5.136 64 HB3 PRO 8 HB3 PRO 8 8.578 -9.389 -4.243 65 HG2 PRO 8 HG2 PRO 8 9.763 -5.553 -5.487 66 HG2 PRO 8 HG2 PRO 8 9.969 -6.862 -5.042 67 HG3 PRO 8 HG3 PRO 8 8.774 -6.461 -6.646 68 HG3 PRO 8 HG3 PRO 8 8.990 -7.961 -6.031 69 HD2 PRO 8 HD2 PRO 8 7.810 -4.357 -5.240 70 HD2 PRO 8 HD2 PRO 8 8.016 -5.639 -5.032 71 HD3 PRO 8 HD3 PRO 8 6.794 -5.733 -5.716 72 HD3 PRO 8 HD3 PRO 8 7.002 -7.078 -5.267 73 HA PRO 9 HA PRO 9 10.971 -6.397 -0.098 74 HA PRO 9 HA PRO 9 11.321 -6.997 0.336 75 HB2 PRO 9 HB2 PRO 9 12.378 -8.697 0.227 76 HB2 PRO 9 HB2 PRO 9 13.120 -9.030 0.421 77 HB3 PRO 9 HB3 PRO 9 10.762 -8.455 0.903 78 HB3 PRO 9 HB3 PRO 9 11.557 -9.095 1.245 79 HG2 PRO 9 HG2 PRO 9 11.576 -9.896 -1.592 80 HG2 PRO 9 HG2 PRO 9 12.365 -10.284 -1.381 81 HG3 PRO 9 HG3 PRO 9 10.391 -10.371 -0.361 82 HG3 PRO 9 HG3 PRO 9 11.396 -11.000 -0.079 83 HD2 PRO 9 HD2 PRO 9 9.672 -9.262 -2.725 84 HD2 PRO 9 HD2 PRO 9 10.284 -9.948 -2.312 85 HD3 PRO 9 HD3 PRO 9 8.753 -9.000 -1.228 86 HD3 PRO 9 HD3 PRO 9 9.477 -9.901 -0.731 87 H GLY 10 H GLY 10 12.477 -4.999 -0.799 88 H GLY 10 H GLY 10 12.757 -5.462 -0.140 89 HA2 GLY 10 HA2 GLY 10 14.929 -4.949 -1.221 90 HA2 GLY 10 HA2 GLY 10 14.883 -4.724 -0.874 91 HA3 GLY 10 HA3 GLY 10 14.613 -6.053 -2.551 92 HA3 GLY 10 HA3 GLY 10 14.928 -6.064 -2.010 93 H TRP 11 H TRP 11 12.189 -4.683 -3.399 94 H TRP 11 H TRP 11 12.103 -4.050 -1.723 95 HA TRP 11 HA TRP 11 13.473 -2.598 -4.958 96 HA TRP 11 HA TRP 11 12.858 -2.575 -4.142 97 HB2 TRP 11 HB2 TRP 11 10.740 -3.876 -5.082 98 HB2 TRP 11 HB2 TRP 11 10.322 -4.176 -3.772 99 HB3 TRP 11 HB3 TRP 11 11.215 -2.531 -6.116 100 HB3 TRP 11 HB3 TRP 11 10.541 -2.975 -5.041 101 HD1 TRP 11 HD1 TRP 11 11.636 -6.268 -5.698 102 HD1 TRP 11 HD1 TRP 11 12.089 -6.328 -3.879 103 HE1 TRP 11 HE1 TRP 11 12.926 -7.206 -7.718 104 HE1 TRP 11 HE1 TRP 11 13.042 -7.524 -5.949 105 HE3 TRP 11 HE3 TRP 11 13.071 -1.864 -7.862 106 HE3 TRP 11 HE3 TRP 11 11.237 -2.697 -7.376 107 HZ2 TRP 11 HZ2 TRP 11 14.361 -6.211 -9.936 108 HZ2 TRP 11 HZ2 TRP 11 13.387 -6.998 -8.701 109 HZ3 TRP 11 HZ3 TRP 11 14.401 -1.945 -9.930 110 HZ3 TRP 11 HZ3 TRP 11 11.909 -3.123 -9.705 111 HH2 TRP 11 HH2 TRP 11 15.032 -4.075 -10.944 112 HH2 TRP 11 HH2 TRP 11 12.961 -5.228 -10.351 113 H GLU 12 H GLU 12 12.824 -0.442 -5.037 114 H GLU 12 H GLU 12 11.897 -0.554 -4.370 115 HA GLU 12 HA GLU 12 10.975 0.446 -2.932 116 HA GLU 12 HA GLU 12 9.925 0.337 -2.447 117 HB2 GLU 12 HB2 GLU 12 13.789 0.864 -2.981 118 HB2 GLU 12 HB2 GLU 12 11.308 2.210 -1.628 119 HB3 GLU 12 HB3 GLU 12 13.015 2.413 -3.283 120 HB3 GLU 12 HB3 GLU 12 11.960 0.645 -1.164 121 HG2 GLU 12 HG2 GLU 12 12.112 2.530 -1.210 122 HG2 GLU 12 HG2 GLU 12 12.941 2.111 -3.586 123 HG3 GLU 12 HG3 GLU 12 11.939 0.782 -1.063 124 HG3 GLU 12 HG3 GLU 12 13.596 2.414 -1.978 125 H LYS 13 H LYS 13 9.765 2.267 -3.397 126 H LYS 13 H LYS 13 8.629 1.838 -3.313 127 HA LYS 13 HA LYS 13 9.734 3.029 -6.226 128 HA LYS 13 HA LYS 13 9.111 2.694 -6.021 129 HB2 LYS 13 HB2 LYS 13 7.669 2.178 -4.902 130 HB2 LYS 13 HB2 LYS 13 6.864 2.035 -5.326 131 HB3 LYS 13 HB3 LYS 13 7.637 3.797 -4.216 132 HB3 LYS 13 HB3 LYS 13 6.845 3.309 -4.115 133 HG2 LYS 13 HG2 LYS 13 7.140 4.790 -6.256 134 HG2 LYS 13 HG2 LYS 13 7.159 4.930 -6.056 135 HG3 LYS 13 HG3 LYS 13 7.698 3.393 -7.179 136 HG3 LYS 13 HG3 LYS 13 6.741 3.569 -7.100 137 HD2 LYS 13 HD2 LYS 13 5.598 2.667 -7.262 138 HD2 LYS 13 HD2 LYS 13 4.957 4.150 -4.797 139 HD3 LYS 13 HD3 LYS 13 5.635 2.464 -5.509 140 HD3 LYS 13 HD3 LYS 13 4.909 5.253 -6.175 141 HE2 LYS 13 HE2 LYS 13 5.075 5.143 -6.724 142 HE2 LYS 13 HE2 LYS 13 3.322 3.730 -6.811 143 HE3 LYS 13 HE3 LYS 13 3.793 3.942 -6.576 144 HE3 LYS 13 HE3 LYS 13 4.756 3.015 -7.544 145 HZ1 LYS 13 HZ1 LYS 13 4.248 3.837 -4.187 146 HZ1 LYS 13 HZ1 LYS 13 3.483 2.219 -4.982 147 HZ2 LYS 13 HZ2 LYS 13 5.423 5.044 -4.351 148 HZ2 LYS 13 HZ2 LYS 13 3.537 1.319 -6.414 149 HZ3 LYS 13 HZ3 LYS 13 3.799 5.395 -4.671 150 HZ3 LYS 13 HZ3 LYS 13 4.957 1.604 -5.540 151 H ARG 14 H ARG 14 9.945 5.120 -6.916 152 H ARG 14 H ARG 14 10.326 4.396 -6.488 153 HA ARG 14 HA ARG 14 10.337 7.212 -4.902 154 HA ARG 14 HA ARG 14 10.292 6.694 -4.643 155 HB2 ARG 14 HB2 ARG 14 12.238 6.758 -7.208 156 HB2 ARG 14 HB2 ARG 14 12.521 5.516 -6.282 157 HB3 ARG 14 HB3 ARG 14 12.363 8.002 -5.972 158 HB3 ARG 14 HB3 ARG 14 12.579 7.185 -5.732 159 HG2 ARG 14 HG2 ARG 14 12.233 5.544 -4.615 160 HG2 ARG 14 HG2 ARG 14 11.946 5.226 -3.643 161 HG3 ARG 14 HG3 ARG 14 13.363 5.328 -5.952 162 HG3 ARG 14 HG3 ARG 14 13.555 5.072 -4.353 163 HD2 ARG 14 HD2 ARG 14 14.445 6.120 -3.870 164 HD2 ARG 14 HD2 ARG 14 13.742 7.603 -3.981 165 HD3 ARG 14 HD3 ARG 14 14.659 7.221 -5.231 166 HD3 ARG 14 HD3 ARG 14 12.347 7.414 -2.920 167 HE ARG 14 HE ARG 14 13.416 8.801 -4.117 168 HE ARG 14 HE ARG 14 14.514 5.611 -2.339 169 HH11 ARG 14 HH11 ARG 14 13.106 5.725 -2.516 170 HH11 ARG 14 HH11 ARG 14 13.167 8.768 -1.756 171 HH12 ARG 14 HH12 ARG 14 12.304 6.381 -1.128 172 HH12 ARG 14 HH12 ARG 14 13.973 8.975 -0.237 173 HH21 ARG 14 HH21 ARG 14 12.360 9.677 -2.294 174 HH21 ARG 14 HH21 ARG 14 15.581 5.872 -0.340 175 HH22 ARG 14 HH22 ARG 14 11.879 8.629 -1.004 176 HH22 ARG 14 HH22 ARG 14 15.346 7.327 0.568 177 H MET 15 H MET 15 10.498 9.415 -5.989 178 H MET 15 H MET 15 10.604 8.808 -5.640 179 HA MET 15 HA MET 15 8.696 9.494 -8.320 180 HA MET 15 HA MET 15 9.293 8.925 -8.263 181 HB2 MET 15 HB2 MET 15 8.800 11.294 -5.902 182 HB2 MET 15 HB2 MET 15 8.638 10.211 -5.968 183 HB3 MET 15 HB3 MET 15 7.953 11.734 -7.379 184 HB3 MET 15 HB3 MET 15 9.675 11.415 -6.722 185 HG2 MET 15 HG2 MET 15 7.343 9.136 -6.051 186 HG2 MET 15 HG2 MET 15 7.992 12.062 -7.991 187 HG3 MET 15 HG3 MET 15 6.676 10.631 -5.399 188 HG3 MET 15 HG3 MET 15 7.923 10.456 -8.714 189 HE1 MET 15 HE1 MET 15 5.098 12.310 -8.128 190 HE1 MET 15 HE1 MET 15 5.972 12.767 -8.209 191 HE2 MET 15 HE2 MET 15 3.909 11.549 -7.072 192 HE2 MET 15 HE2 MET 15 4.681 11.612 -8.541 193 HE3 MET 15 HE3 MET 15 5.415 12.171 -6.399 194 HE3 MET 15 HE3 MET 15 4.694 12.506 -7.021 195 H SER 16 H SER 16 11.482 9.380 -8.581 196 H SER 16 H SER 16 10.125 10.151 -9.948 197 HA SER 16 HA SER 16 13.272 10.433 -9.523 198 HA SER 16 HA SER 16 12.848 10.147 -10.362 199 HB2 SER 16 HB2 SER 16 11.847 12.571 -10.861 200 HB2 SER 16 HB2 SER 16 10.547 11.528 -11.639 201 HB3 SER 16 HB3 SER 16 12.660 11.167 -11.554 202 HB3 SER 16 HB3 SER 16 12.154 12.147 -12.019 203 HG SER 16 HG SER 16 10.801 10.193 -11.736 204 HG SER 16 HG SER 16 12.663 10.296 -12.989 205 H ARG 17 H ARG 17 13.884 13.003 -10.180 206 H ARG 17 H ARG 17 14.353 11.956 -10.622 207 HA ARG 17 HA ARG 17 14.080 14.236 -7.542 208 HA ARG 17 HA ARG 17 14.756 13.393 -8.301 209 HB2 ARG 17 HB2 ARG 17 15.447 15.129 -10.079 210 HB2 ARG 17 HB2 ARG 17 16.552 13.061 -9.871 211 HB3 ARG 17 HB3 ARG 17 15.891 15.516 -8.422 212 HB3 ARG 17 HB3 ARG 17 15.703 13.977 -11.109 213 HG2 ARG 17 HG2 ARG 17 17.381 13.875 -8.615 214 HG2 ARG 17 HG2 ARG 17 15.959 15.656 -8.851 215 HG3 ARG 17 HG3 ARG 17 16.008 12.781 -8.439 216 HG3 ARG 17 HG3 ARG 17 17.528 14.902 -9.137 217 HD2 ARG 17 HD2 ARG 17 16.903 11.968 -10.376 218 HD2 ARG 17 HD2 ARG 17 15.915 16.212 -11.313 219 HD3 ARG 17 HD3 ARG 17 15.808 13.178 -11.040 220 HD3 ARG 17 HD3 ARG 17 17.098 17.085 -10.341 221 HE ARG 17 HE ARG 17 18.475 14.141 -10.514 222 HE ARG 17 HE ARG 17 18.533 15.007 -11.255 223 HH11 ARG 17 HH11 ARG 17 16.346 12.644 -12.827 224 HH11 ARG 17 HH11 ARG 17 16.435 17.282 -12.848 225 HH12 ARG 17 HH12 ARG 17 17.279 13.137 -14.201 226 HH12 ARG 17 HH12 ARG 17 17.298 17.226 -14.350 227 HH21 ARG 17 HH21 ARG 17 19.711 14.796 -12.314 228 HH21 ARG 17 HH21 ARG 17 19.678 14.924 -13.227 229 HH22 ARG 17 HH22 ARG 17 19.194 14.361 -13.909 230 HH22 ARG 17 HH22 ARG 17 19.142 15.883 -14.564 231 H ASN 18 H ASN 18 13.901 15.754 -10.748 232 H ASN 18 H ASN 18 14.251 15.216 -11.285 233 HA ASN 18 HA ASN 18 12.135 17.792 -9.648 234 HA ASN 18 HA ASN 18 12.311 16.902 -9.845 235 HB2 ASN 18 HB2 ASN 18 14.036 17.625 -11.864 236 HB2 ASN 18 HB2 ASN 18 14.667 17.868 -10.330 237 HB3 ASN 18 HB3 ASN 18 12.536 18.434 -12.304 238 HB3 ASN 18 HB3 ASN 18 14.117 17.970 -12.000 239 HD21 ASN 18 HD21 ASN 18 11.786 19.931 -10.366 240 HD21 ASN 18 HD21 ASN 18 13.439 19.908 -12.509 241 HD22 ASN 18 HD22 ASN 18 13.007 21.030 -9.831 242 HD22 ASN 18 HD22 ASN 18 12.597 21.005 -11.474 243 H SER 19 H SER 19 12.062 15.076 -11.810 244 H SER 19 H SER 19 12.037 14.591 -11.767 245 HA SER 19 HA SER 19 9.397 15.782 -12.778 246 HA SER 19 HA SER 19 10.666 15.933 -13.987 247 HB2 SER 19 HB2 SER 19 9.694 13.706 -14.196 248 HB2 SER 19 HB2 SER 19 11.201 14.157 -15.281 249 HB3 SER 19 HB3 SER 19 10.857 14.995 -14.505 250 HB3 SER 19 HB3 SER 19 12.355 13.772 -14.005 251 HG SER 19 HG SER 19 12.418 13.776 -13.760 252 HG SER 19 HG SER 19 11.202 11.951 -14.192 253 H GLY 20 H GLY 20 7.795 13.917 -12.890 254 H GLY 20 H GLY 20 10.136 13.903 -11.199 255 HA2 GLY 20 HA2 GLY 20 7.850 12.480 -10.307 256 HA2 GLY 20 HA2 GLY 20 8.098 13.750 -10.036 257 HA3 GLY 20 HA3 GLY 20 6.382 13.104 -11.046 258 HA3 GLY 20 HA3 GLY 20 7.264 14.344 -11.464 259 H ARG 21 H ARG 21 9.086 11.209 -12.373 260 H ARG 21 H ARG 21 8.873 12.295 -13.061 261 HA ARG 21 HA ARG 21 7.134 9.359 -13.521 262 HA ARG 21 HA ARG 21 6.934 10.376 -13.392 263 HB2 ARG 21 HB2 ARG 21 9.445 10.506 -14.539 264 HB2 ARG 21 HB2 ARG 21 9.873 10.427 -13.949 265 HB3 ARG 21 HB3 ARG 21 9.929 8.856 -14.173 266 HB3 ARG 21 HB3 ARG 21 8.985 8.926 -14.178 267 HG2 ARG 21 HG2 ARG 21 9.196 8.638 -16.329 268 HG2 ARG 21 HG2 ARG 21 7.998 11.457 -15.420 269 HG3 ARG 21 HG3 ARG 21 7.729 8.237 -15.432 270 HG3 ARG 21 HG3 ARG 21 9.305 10.540 -16.172 271 HD2 ARG 21 HD2 ARG 21 7.072 10.659 -15.652 272 HD2 ARG 21 HD2 ARG 21 6.693 9.281 -15.380 273 HD3 ARG 21 HD3 ARG 21 8.424 10.844 -16.769 274 HD3 ARG 21 HD3 ARG 21 6.942 10.029 -16.957 275 HE ARG 21 HE ARG 21 6.597 8.720 -17.448 276 HE ARG 21 HE ARG 21 8.922 8.058 -16.251 277 HH11 ARG 21 HH11 ARG 21 7.357 12.099 -17.798 278 HH11 ARG 21 HH11 ARG 21 5.830 8.638 -17.742 279 HH12 ARG 21 HH12 ARG 21 6.470 12.280 -19.276 280 HH12 ARG 21 HH12 ARG 21 5.885 7.205 -18.716 281 HH21 ARG 21 HH21 ARG 21 5.426 8.944 -19.392 282 HH21 ARG 21 HH21 ARG 21 9.006 6.170 -17.528 283 HH22 ARG 21 HH22 ARG 21 5.371 10.484 -20.181 284 HH22 ARG 21 HH22 ARG 21 7.691 5.802 -18.593 285 H VAL 22 H VAL 22 6.571 8.020 -11.844 286 H VAL 22 H VAL 22 7.120 7.999 -12.949 287 HA VAL 22 HA VAL 22 8.278 6.945 -9.916 288 HA VAL 22 HA VAL 22 8.059 7.556 -10.190 289 HB VAL 22 HB VAL 22 5.630 6.073 -11.012 290 HB VAL 22 HB VAL 22 5.860 5.931 -11.417 291 HG11 VAL 22 HG11 VAL 22 5.622 4.329 -9.184 292 HG11 VAL 22 HG11 VAL 22 6.309 6.766 -8.560 293 HG12 VAL 22 HG12 VAL 22 6.632 3.972 -10.584 294 HG12 VAL 22 HG12 VAL 22 5.251 5.491 -9.164 295 HG13 VAL 22 HG13 VAL 22 7.369 4.547 -9.088 296 HG13 VAL 22 HG13 VAL 22 7.002 5.304 -9.264 297 HG21 VAL 22 HG21 VAL 22 6.337 6.693 -8.166 298 HG21 VAL 22 HG21 VAL 22 4.719 7.866 -11.699 299 HG22 VAL 22 HG22 VAL 22 6.035 7.983 -9.330 300 HG22 VAL 22 HG22 VAL 22 4.446 7.691 -9.965 301 HG23 VAL 22 HG23 VAL 22 4.773 6.804 -8.973 302 HG23 VAL 22 HG23 VAL 22 5.726 8.753 -10.553 303 H TYR 23 H TYR 23 9.493 5.106 -9.780 304 H TYR 23 H TYR 23 8.935 5.517 -9.672 305 HA TYR 23 HA TYR 23 9.536 3.230 -12.003 306 HA TYR 23 HA TYR 23 9.252 3.433 -11.571 307 HB2 TYR 23 HB2 TYR 23 12.027 3.414 -12.192 308 HB2 TYR 23 HB2 TYR 23 11.526 3.644 -12.179 309 HB3 TYR 23 HB3 TYR 23 11.157 4.833 -12.762 310 HB3 TYR 23 HB3 TYR 23 10.834 5.242 -12.433 311 HD1 TYR 23 HD1 TYR 23 11.712 6.946 -11.947 312 HD1 TYR 23 HD1 TYR 23 13.633 3.630 -11.264 313 HD2 TYR 23 HD2 TYR 23 12.956 3.498 -9.787 314 HD2 TYR 23 HD2 TYR 23 10.938 6.719 -10.128 315 HE1 TYR 23 HE1 TYR 23 13.052 8.371 -10.455 316 HE1 TYR 23 HE1 TYR 23 15.369 4.603 -9.818 317 HE2 TYR 23 HE2 TYR 23 14.297 4.913 -8.288 318 HE2 TYR 23 HE2 TYR 23 12.667 7.701 -8.678 319 HH TYR 23 HH TYR 23 15.073 8.091 -8.969 320 HH TYR 23 HH TYR 23 15.429 6.083 -7.757 321 H TYR 24 H TYR 24 11.240 1.462 -11.516 322 H TYR 24 H TYR 24 11.437 2.127 -10.729 323 HA TYR 24 HA TYR 24 10.981 0.771 -8.669 324 HA TYR 24 HA TYR 24 11.137 1.943 -7.804 325 HB2 TYR 24 HB2 TYR 24 11.044 -0.884 -11.172 326 HB2 TYR 24 HB2 TYR 24 11.464 -0.381 -9.712 327 HB3 TYR 24 HB3 TYR 24 11.483 -1.601 -9.625 328 HB3 TYR 24 HB3 TYR 24 11.292 -0.485 -7.964 329 HD1 TYR 24 HD1 TYR 24 9.780 -1.528 -7.742 330 HD1 TYR 24 HD1 TYR 24 9.570 -0.282 -11.113 331 HD2 TYR 24 HD2 TYR 24 8.789 -0.621 -11.779 332 HD2 TYR 24 HD2 TYR 24 9.113 0.250 -6.916 333 HE1 TYR 24 HE1 TYR 24 7.402 -1.906 -7.238 334 HE1 TYR 24 HE1 TYR 24 7.127 -0.420 -11.367 335 HE2 TYR 24 HE2 TYR 24 6.410 -0.995 -11.286 336 HE2 TYR 24 HE2 TYR 24 6.669 0.112 -7.159 337 HH TYR 24 HH TYR 24 5.209 -1.265 -8.118 338 HH TYR 24 HH TYR 24 5.133 0.075 -10.289 339 H PHE 25 H PHE 25 12.764 0.870 -7.492 340 H PHE 25 H PHE 25 12.969 0.928 -6.702 341 HA PHE 25 HA PHE 25 15.350 0.331 -8.795 342 HA PHE 25 HA PHE 25 15.499 1.175 -8.180 343 HB2 PHE 25 HB2 PHE 25 15.118 2.739 -8.361 344 HB2 PHE 25 HB2 PHE 25 14.820 3.129 -6.548 345 HB3 PHE 25 HB3 PHE 25 14.794 2.405 -6.663 346 HB3 PHE 25 HB3 PHE 25 15.371 2.006 -5.308 347 HD1 PHE 25 HD1 PHE 25 17.377 1.772 -9.273 348 HD1 PHE 25 HD1 PHE 25 17.605 1.949 -4.736 349 HD2 PHE 25 HD2 PHE 25 16.536 2.493 -5.164 350 HD2 PHE 25 HD2 PHE 25 16.466 3.560 -8.509 351 HE1 PHE 25 HE1 PHE 25 19.790 1.870 -8.800 352 HE1 PHE 25 HE1 PHE 25 19.931 2.645 -5.138 353 HE2 PHE 25 HE2 PHE 25 18.947 2.593 -4.684 354 HE2 PHE 25 HE2 PHE 25 18.790 4.257 -8.915 355 HZ PHE 25 HZ PHE 25 20.577 2.283 -6.503 356 HZ PHE 25 HZ PHE 25 20.526 3.799 -7.230 357 H ASN 26 H ASN 26 16.408 -1.316 -7.923 358 H ASN 26 H ASN 26 17.086 -0.285 -7.659 359 HA ASN 26 HA ASN 26 15.596 -2.274 -5.276 360 HA ASN 26 HA ASN 26 16.358 -2.340 -5.676 361 HB2 ASN 26 HB2 ASN 26 15.645 -3.776 -7.365 362 HB2 ASN 26 HB2 ASN 26 16.312 -2.980 -8.171 363 HB3 ASN 26 HB3 ASN 26 17.398 -3.737 -7.197 364 HB3 ASN 26 HB3 ASN 26 18.068 -2.879 -8.094 365 HD21 ASN 26 HD21 ASN 26 15.346 -5.894 -6.903 366 HD21 ASN 26 HD21 ASN 26 16.507 -5.192 -8.671 367 HD22 ASN 26 HD22 ASN 26 15.672 -6.599 -5.359 368 HD22 ASN 26 HD22 ASN 26 16.844 -6.358 -7.442 369 H HIS 27 H HIS 27 16.873 -2.064 -3.557 370 H HIS 27 H HIS 27 17.631 -2.185 -3.958 371 HA HIS 27 HA HIS 27 19.422 -0.749 -3.822 372 HA HIS 27 HA HIS 27 20.334 -1.123 -4.230 373 HB2 HIS 27 HB2 HIS 27 19.439 -0.960 -1.300 374 HB2 HIS 27 HB2 HIS 27 20.335 -0.926 -1.829 375 HB3 HIS 27 HB3 HIS 27 18.085 -0.060 -1.975 376 HB3 HIS 27 HB3 HIS 27 18.802 -0.300 -2.431 377 HD1 HIS 27 HD1 HIS 27 18.847 -3.545 -0.674 378 HD1 HIS 27 HD1 HIS 27 16.687 -1.433 -1.635 379 HD2 HIS 27 HD2 HIS 27 15.647 -0.940 -1.158 380 HD2 HIS 27 HD2 HIS 27 20.135 -3.452 -0.498 381 HE1 HIS 27 HE1 HIS 27 16.893 -4.667 0.440 382 HE1 HIS 27 HE1 HIS 27 15.930 -3.190 -0.004 383 H ILE 28 H ILE 28 18.305 -3.980 -3.572 384 H ILE 28 H ILE 28 19.505 -3.850 -5.149 385 HA ILE 28 HA ILE 28 20.755 -5.064 -2.504 386 HA ILE 28 HA ILE 28 21.362 -5.433 -3.495 387 HB ILE 28 HB ILE 28 18.391 -6.448 -3.775 388 HB ILE 28 HB ILE 28 19.024 -6.372 -5.158 389 HG12 ILE 28 HG12 ILE 28 19.165 -5.863 -0.920 390 HG12 ILE 28 HG12 ILE 28 19.582 -6.363 -2.188 391 HG13 ILE 28 HG13 ILE 28 17.669 -5.446 -1.749 392 HG13 ILE 28 HG13 ILE 28 18.312 -5.488 -3.035 393 HG21 ILE 28 HG21 ILE 28 20.649 -7.653 -2.182 394 HG21 ILE 28 HG21 ILE 28 20.897 -7.916 -5.376 395 HG22 ILE 28 HG22 ILE 28 19.294 -8.510 -2.917 396 HG22 ILE 28 HG22 ILE 28 21.043 -8.000 -3.620 397 HG23 ILE 28 HG23 ILE 28 20.503 -7.731 -3.939 398 HG23 ILE 28 HG23 ILE 28 19.600 -8.630 -4.416 399 HD11 ILE 28 HD11 ILE 28 17.171 -7.220 -0.279 400 HD11 ILE 28 HD11 ILE 28 17.257 -7.616 -3.625 401 HD12 ILE 28 HD12 ILE 28 17.201 -7.909 -1.902 402 HD12 ILE 28 HD12 ILE 28 18.519 -8.474 -2.742 403 HD13 ILE 28 HD13 ILE 28 18.568 -8.152 -0.815 404 HD13 ILE 28 HD13 ILE 28 17.410 -7.409 -1.880 405 H THR 29 H THR 29 19.080 -5.334 -5.642 406 H THR 29 H THR 29 20.319 -4.687 -6.784 407 HA THR 29 HA THR 29 21.473 -6.381 -6.894 408 HA THR 29 HA THR 29 22.943 -5.607 -7.743 409 HB THR 29 HB THR 29 20.002 -6.229 -8.999 410 HB THR 29 HB THR 29 22.015 -6.595 -9.704 411 HG1 THR 29 HG1 THR 29 17.746 -6.090 -8.497 412 HG1 THR 29 HG1 THR 29 20.021 -6.195 -10.387 413 HG21 THR 29 HG21 THR 29 19.441 -7.984 -6.629 414 HG21 THR 29 HG21 THR 29 20.435 -7.411 -7.264 415 HG22 THR 29 HG22 THR 29 18.562 -8.189 -8.144 416 HG22 THR 29 HG22 THR 29 20.507 -8.343 -8.761 417 HG23 THR 29 HG23 THR 29 20.316 -8.368 -8.111 418 HG23 THR 29 HG23 THR 29 21.970 -8.083 -7.811 419 H ASN 30 H ASN 30 20.159 -3.329 -6.275 420 H ASN 30 H ASN 30 21.767 -2.944 -7.068 421 HA ASN 30 HA ASN 30 20.766 -1.221 -6.880 422 HA ASN 30 HA ASN 30 21.344 -0.882 -8.052 423 HB2 ASN 30 HB2 ASN 30 23.098 -2.564 -6.801 424 HB2 ASN 30 HB2 ASN 30 24.029 -1.741 -8.160 425 HB3 ASN 30 HB3 ASN 30 23.087 -2.106 -8.501 426 HB3 ASN 30 HB3 ASN 30 23.717 -0.913 -9.683 427 HD21 ASN 30 HD21 ASN 30 21.808 0.343 -8.333 428 HD21 ASN 30 HD21 ASN 30 21.838 0.949 -8.791 429 HD22 ASN 30 HD22 ASN 30 22.832 1.453 -7.493 430 HD22 ASN 30 HD22 ASN 30 22.636 2.074 -7.749 431 H ALA 31 H ALA 31 19.360 -3.234 -8.770 432 H ALA 31 H ALA 31 19.527 -1.456 -9.375 433 HA ALA 31 HA ALA 31 19.861 -2.011 -11.361 434 HA ALA 31 HA ALA 31 19.953 -0.859 -12.139 435 HB1 ALA 31 HB1 ALA 31 18.228 -3.647 -12.200 436 HB1 ALA 31 HB1 ALA 31 19.130 -2.901 -13.110 437 HB2 ALA 31 HB2 ALA 31 19.530 -4.412 -11.288 438 HB2 ALA 31 HB2 ALA 31 20.522 -3.269 -12.092 439 HB3 ALA 31 HB3 ALA 31 17.944 -4.193 -10.548 440 HB3 ALA 31 HB3 ALA 31 18.890 -3.610 -11.512 441 H SER 32 H SER 32 18.090 -1.149 -12.654 442 H SER 32 H SER 32 18.169 0.047 -13.017 443 HA SER 32 HA SER 32 15.878 -0.037 -11.072 444 HA SER 32 HA SER 32 15.713 -0.021 -11.396 445 HB2 SER 32 HB2 SER 32 18.037 1.490 -11.818 446 HB2 SER 32 HB2 SER 32 15.175 2.159 -12.498 447 HB3 SER 32 HB3 SER 32 16.905 1.782 -13.137 448 HB3 SER 32 HB3 SER 32 16.641 2.209 -11.518 449 HG SER 32 HG SER 32 16.362 3.251 -11.623 450 HG SER 32 HG SER 32 17.784 2.570 -13.253 451 H GLN 33 H GLN 33 13.958 0.274 -12.178 452 H GLN 33 H GLN 33 13.738 -0.387 -12.357 453 HA GLN 33 HA GLN 33 13.790 -0.073 -15.026 454 HA GLN 33 HA GLN 33 13.707 -0.973 -15.230 455 HB2 GLN 33 HB2 GLN 33 12.308 -2.062 -14.917 456 HB2 GLN 33 HB2 GLN 33 14.044 -3.096 -13.976 457 HB3 GLN 33 HB3 GLN 33 13.959 -2.402 -14.416 458 HB3 GLN 33 HB3 GLN 33 12.528 -2.803 -13.134 459 HG2 GLN 33 HG2 GLN 33 13.231 -2.201 -12.057 460 HG2 GLN 33 HG2 GLN 33 11.280 -3.460 -14.874 461 HG3 GLN 33 HG3 GLN 33 11.573 -2.015 -12.626 462 HG3 GLN 33 HG3 GLN 33 12.352 -2.716 -16.060 463 HE21 GLN 33 HE21 GLN 33 10.446 -3.779 -13.296 464 HE21 GLN 33 HE21 GLN 33 11.623 -5.567 -14.241 465 HE22 GLN 33 HE22 GLN 33 11.039 -5.397 -13.180 466 HE22 GLN 33 HE22 GLN 33 12.698 -6.630 -15.078 467 H PHE 34 H PHE 34 11.110 -0.769 -15.227 468 H PHE 34 H PHE 34 11.917 -0.291 -16.259 469 HA PHE 34 HA PHE 34 9.682 1.200 -13.592 470 HA PHE 34 HA PHE 34 9.849 0.994 -14.630 471 HB2 PHE 34 HB2 PHE 34 9.503 1.061 -16.608 472 HB2 PHE 34 HB2 PHE 34 10.902 1.401 -17.385 473 HB3 PHE 34 HB3 PHE 34 8.566 2.125 -15.567 474 HB3 PHE 34 HB3 PHE 34 9.209 1.791 -17.096 475 HD1 PHE 34 HD1 PHE 34 11.947 1.393 -16.834 476 HD1 PHE 34 HD1 PHE 34 12.674 2.578 -16.119 477 HD2 PHE 34 HD2 PHE 34 9.468 4.154 -14.749 478 HD2 PHE 34 HD2 PHE 34 8.581 3.724 -15.881 479 HE1 PHE 34 HE1 PHE 34 13.715 3.097 -16.994 480 HE1 PHE 34 HE1 PHE 34 13.341 4.755 -15.186 481 HE2 PHE 34 HE2 PHE 34 11.231 5.863 -14.908 482 HE2 PHE 34 HE2 PHE 34 9.242 5.903 -14.949 483 HZ PHE 34 HZ PHE 34 13.357 5.336 -16.032 484 HZ PHE 34 HZ PHE 34 11.625 6.421 -14.602 485 H GLU 35 H GLU 35 9.457 -1.414 -15.970 486 H GLU 35 H GLU 35 9.430 -1.557 -14.367 487 HA GLU 35 HA GLU 35 6.715 -1.950 -15.635 488 HA GLU 35 HA GLU 35 6.982 -2.023 -15.823 489 HB2 GLU 35 HB2 GLU 35 9.036 -3.351 -16.819 490 HB2 GLU 35 HB2 GLU 35 9.460 -3.567 -16.352 491 HB3 GLU 35 HB3 GLU 35 7.676 -4.366 -16.360 492 HB3 GLU 35 HB3 GLU 35 7.974 -4.493 -16.199 493 HG2 GLU 35 HG2 GLU 35 7.628 -2.032 -18.256 494 HG2 GLU 35 HG2 GLU 35 8.505 -2.255 -18.138 495 HG3 GLU 35 HG3 GLU 35 7.467 -3.739 -18.664 496 HG3 GLU 35 HG3 GLU 35 8.388 -3.974 -18.512 497 H ARG 36 H ARG 36 5.594 -3.188 -14.224 498 H ARG 36 H ARG 36 5.651 -3.623 -14.861 499 HA ARG 36 HA ARG 36 6.494 -3.637 -11.661 500 HA ARG 36 HA ARG 36 5.614 -3.709 -12.116 501 HB2 ARG 36 HB2 ARG 36 4.118 -3.643 -12.323 502 HB2 ARG 36 HB2 ARG 36 3.675 -4.303 -13.450 503 HB3 ARG 36 HB3 ARG 36 4.351 -5.192 -13.120 504 HB3 ARG 36 HB3 ARG 36 4.497 -5.733 -14.062 505 HG2 ARG 36 HG2 ARG 36 4.990 -6.160 -10.921 506 HG2 ARG 36 HG2 ARG 36 2.994 -6.479 -12.407 507 HG3 ARG 36 HG3 ARG 36 4.565 -4.617 -10.175 508 HG3 ARG 36 HG3 ARG 36 4.602 -6.550 -11.683 509 HD2 ARG 36 HD2 ARG 36 2.280 -4.844 -11.051 510 HD2 ARG 36 HD2 ARG 36 4.194 -4.422 -10.559 511 HD3 ARG 36 HD3 ARG 36 2.714 -6.403 -11.752 512 HD3 ARG 36 HD3 ARG 36 2.597 -4.330 -11.300 513 HE ARG 36 HE ARG 36 3.325 -6.727 -9.145 514 HE ARG 36 HE ARG 36 3.048 -6.713 -9.743 515 HH11 ARG 36 HH11 ARG 36 0.475 -5.588 -10.790 516 HH11 ARG 36 HH11 ARG 36 1.971 -3.402 -9.702 517 HH12 ARG 36 HH12 ARG 36 -0.616 -6.157 -9.569 518 HH12 ARG 36 HH12 ARG 36 1.004 -3.597 -8.278 519 HH21 ARG 36 HH21 ARG 36 1.899 -7.479 -7.531 520 HH21 ARG 36 HH21 ARG 36 1.779 -6.982 -7.867 521 HH22 ARG 36 HH22 ARG 36 0.196 -7.230 -7.716 522 HH22 ARG 36 HH22 ARG 36 0.896 -5.634 -7.235 523 HA PRO 37 HA PRO 37 9.276 -7.064 -12.424 524 HA PRO 37 HA PRO 37 9.150 -6.428 -11.494 525 HB2 PRO 37 HB2 PRO 37 10.216 -7.184 -9.879 526 HB2 PRO 37 HB2 PRO 37 9.317 -5.966 -8.824 527 HB3 PRO 37 HB3 PRO 37 10.765 -5.978 -11.051 528 HB3 PRO 37 HB3 PRO 37 9.958 -4.848 -10.034 529 HG2 PRO 37 HG2 PRO 37 8.746 -5.707 -8.857 530 HG2 PRO 37 HG2 PRO 37 7.375 -4.728 -8.527 531 HG3 PRO 37 HG3 PRO 37 10.025 -4.580 -9.346 532 HG3 PRO 37 HG3 PRO 37 8.520 -3.424 -8.890 533 HD2 PRO 37 HD2 PRO 37 7.438 -4.252 -10.075 534 HD2 PRO 37 HD2 PRO 37 6.241 -3.798 -10.304 535 HD3 PRO 37 HD3 PRO 37 8.793 -3.747 -11.106 536 HD3 PRO 37 HD3 PRO 37 7.724 -3.153 -11.036 537 H SER 38 H SER 38 7.454 -8.509 -12.753 538 H SER 38 H SER 38 7.585 -8.191 -12.011 539 HA SER 38 HA SER 38 6.127 -9.698 -10.510 540 HA SER 38 HA SER 38 6.785 -9.602 -9.551 541 HB2 SER 38 HB2 SER 38 5.178 -11.248 -12.207 542 HB2 SER 38 HB2 SER 38 4.846 -10.490 -10.673 543 HB3 SER 38 HB3 SER 38 4.982 -9.553 -12.653 544 HB3 SER 38 HB3 SER 38 4.837 -8.740 -10.884 545 HG SER 38 HG SER 38 5.727 -10.739 -14.423 546 HG SER 38 HG SER 38 5.766 -9.095 -12.968 547 H GLY 39 H GLY 39 8.284 -11.114 -12.983 548 H GLY 39 H GLY 39 9.219 -10.160 -10.177 549 HA2 GLY 39 HA2 GLY 39 8.731 -13.544 -11.720 550 HA2 GLY 39 HA2 GLY 39 9.075 -12.710 -11.659 551 HA3 GLY 39 HA3 GLY 39 9.854 -12.781 -12.836 552 HA3 GLY 39 HA3 GLY 39 10.418 -11.600 -11.886 Start of MODEL 9 1 H1 SER 5 H SER 5 1.788 0.245 -3.330 2 H1 SER 5 H SER 5 1.078 0.456 -1.583 3 HA SER 5 HA SER 5 2.398 0.093 -1.031 4 HA SER 5 HA SER 5 2.819 -0.876 -0.296 5 HB2 SER 5 HB2 SER 5 0.446 -1.808 -0.108 6 HB2 SER 5 HB2 SER 5 0.849 0.279 0.800 7 HB3 SER 5 HB3 SER 5 0.780 -0.183 0.493 8 HB3 SER 5 HB3 SER 5 -0.006 -1.261 0.710 9 HG SER 5 HG SER 5 -1.332 -1.021 -0.869 10 HG SER 5 HG SER 5 1.045 -1.859 2.416 11 H LYS 6 H LYS 6 0.648 -2.843 -2.050 12 H LYS 6 H LYS 6 3.030 -2.559 -2.180 13 HA LYS 6 HA LYS 6 2.505 -4.697 -1.197 14 HA LYS 6 HA LYS 6 2.673 -5.131 -0.985 15 HB2 LYS 6 HB2 LYS 6 1.499 -6.243 -2.830 16 HB2 LYS 6 HB2 LYS 6 1.422 -6.041 -3.026 17 HB3 LYS 6 HB3 LYS 6 0.280 -5.334 -1.947 18 HB3 LYS 6 HB3 LYS 6 0.488 -5.127 -1.850 19 HG2 LYS 6 HG2 LYS 6 0.412 -3.725 -4.001 20 HG2 LYS 6 HG2 LYS 6 0.696 -3.133 -3.296 21 HG3 LYS 6 HG3 LYS 6 1.085 -5.143 -4.808 22 HG3 LYS 6 HG3 LYS 6 1.521 -4.130 -4.495 23 HD2 LYS 6 HD2 LYS 6 -1.240 -5.215 -5.211 24 HD2 LYS 6 HD2 LYS 6 -0.702 -4.095 -5.218 25 HD3 LYS 6 HD3 LYS 6 -0.935 -6.415 -3.951 26 HD3 LYS 6 HD3 LYS 6 -0.554 -5.639 -4.376 27 HE2 LYS 6 HE2 LYS 6 -2.906 -5.136 -3.393 28 HE2 LYS 6 HE2 LYS 6 -1.285 -3.667 -2.471 29 HE3 LYS 6 HE3 LYS 6 -1.614 -4.760 -2.253 30 HE3 LYS 6 HE3 LYS 6 -2.350 -3.493 -3.865 31 HZ1 LYS 6 HZ1 LYS 6 -2.874 -2.800 -3.085 32 HZ1 LYS 6 HZ1 LYS 6 -1.985 -6.228 -3.144 33 HZ2 LYS 6 HZ2 LYS 6 -1.205 -2.708 -3.344 34 HZ2 LYS 6 HZ2 LYS 6 -2.596 -5.328 -1.849 35 HZ3 LYS 6 HZ3 LYS 6 -2.239 -3.093 -4.626 36 HZ3 LYS 6 HZ3 LYS 6 -3.418 -5.348 -3.326 37 H LEU 7 H LEU 7 4.537 -5.094 -1.747 38 H LEU 7 H LEU 7 5.004 -4.748 -1.266 39 HA LEU 7 HA LEU 7 5.386 -5.019 -4.503 40 HA LEU 7 HA LEU 7 5.877 -5.664 -3.920 41 HB2 LEU 7 HB2 LEU 7 5.860 -2.790 -2.750 42 HB2 LEU 7 HB2 LEU 7 7.353 -3.638 -2.251 43 HB3 LEU 7 HB3 LEU 7 7.388 -3.529 -3.224 44 HB3 LEU 7 HB3 LEU 7 7.792 -4.213 -3.857 45 HG LEU 7 HG LEU 7 6.379 -3.334 -5.638 46 HG LEU 7 HG LEU 7 5.479 -2.429 -3.116 47 HD11 LEU 7 HD11 LEU 7 4.337 -2.424 -5.624 48 HD11 LEU 7 HD11 LEU 7 7.824 -1.492 -3.338 49 HD12 LEU 7 HD12 LEU 7 4.527 -1.784 -3.991 50 HD12 LEU 7 HD12 LEU 7 7.724 -1.920 -5.047 51 HD13 LEU 7 HD13 LEU 7 5.181 -0.897 -5.368 52 HD13 LEU 7 HD13 LEU 7 6.584 -0.763 -4.358 53 HD21 LEU 7 HD21 LEU 7 7.790 -1.370 -3.928 54 HD21 LEU 7 HD21 LEU 7 5.743 -4.269 -5.313 55 HD22 LEU 7 HD22 LEU 7 8.308 -2.161 -5.416 56 HD22 LEU 7 HD22 LEU 7 4.390 -3.225 -4.880 57 HD23 LEU 7 HD23 LEU 7 7.191 -0.798 -5.485 58 HD23 LEU 7 HD23 LEU 7 5.691 -2.605 -5.896 59 HA PRO 8 HA PRO 8 8.105 -8.183 -3.135 60 HA PRO 8 HA PRO 8 8.158 -8.742 -1.773 61 HB2 PRO 8 HB2 PRO 8 10.174 -7.901 -4.871 62 HB2 PRO 8 HB2 PRO 8 10.249 -9.103 -3.465 63 HB3 PRO 8 HB3 PRO 8 8.601 -8.554 -5.348 64 HB3 PRO 8 HB3 PRO 8 8.613 -9.662 -3.829 65 HG2 PRO 8 HG2 PRO 8 9.690 -5.788 -5.703 66 HG2 PRO 8 HG2 PRO 8 10.025 -7.194 -4.766 67 HG3 PRO 8 HG3 PRO 8 8.779 -6.787 -6.850 68 HG3 PRO 8 HG3 PRO 8 9.004 -8.316 -5.685 69 HD2 PRO 8 HD2 PRO 8 7.627 -4.806 -5.408 70 HD2 PRO 8 HD2 PRO 8 8.093 -5.939 -4.762 71 HD3 PRO 8 HD3 PRO 8 6.753 -6.279 -5.877 72 HD3 PRO 8 HD3 PRO 8 7.051 -7.368 -4.913 73 HA PRO 9 HA PRO 9 11.033 -6.471 -0.319 74 HA PRO 9 HA PRO 9 11.505 -7.128 0.579 75 HB2 PRO 9 HB2 PRO 9 12.573 -8.663 0.121 76 HB2 PRO 9 HB2 PRO 9 13.270 -9.187 0.708 77 HB3 PRO 9 HB3 PRO 9 10.940 -8.487 0.777 78 HB3 PRO 9 HB3 PRO 9 11.728 -9.189 1.571 79 HG2 PRO 9 HG2 PRO 9 11.855 -9.995 -1.641 80 HG2 PRO 9 HG2 PRO 9 12.449 -10.503 -1.020 81 HG3 PRO 9 HG3 PRO 9 10.693 -10.480 -0.394 82 HG3 PRO 9 HG3 PRO 9 11.502 -11.146 0.334 83 HD2 PRO 9 HD2 PRO 9 9.925 -9.531 -2.811 84 HD2 PRO 9 HD2 PRO 9 10.352 -10.170 -1.914 85 HD3 PRO 9 HD3 PRO 9 8.982 -9.253 -1.332 86 HD3 PRO 9 HD3 PRO 9 9.587 -10.041 -0.318 87 H GLY 10 H GLY 10 12.694 -5.163 -0.735 88 H GLY 10 H GLY 10 12.810 -5.567 -0.145 89 HA2 GLY 10 HA2 GLY 10 15.076 -5.008 -1.259 90 HA2 GLY 10 HA2 GLY 10 14.966 -4.900 -0.918 91 HA3 GLY 10 HA3 GLY 10 14.781 -6.104 -2.601 92 HA3 GLY 10 HA3 GLY 10 14.991 -6.310 -1.967 93 H TRP 11 H TRP 11 12.293 -4.728 -3.360 94 H TRP 11 H TRP 11 12.202 -4.223 -1.725 95 HA TRP 11 HA TRP 11 13.536 -2.628 -4.935 96 HA TRP 11 HA TRP 11 12.899 -2.916 -4.250 97 HB2 TRP 11 HB2 TRP 11 10.812 -3.928 -5.018 98 HB2 TRP 11 HB2 TRP 11 10.403 -4.542 -3.754 99 HB3 TRP 11 HB3 TRP 11 11.250 -2.563 -6.043 100 HB3 TRP 11 HB3 TRP 11 10.544 -3.374 -5.064 101 HD1 TRP 11 HD1 TRP 11 11.630 -6.299 -5.744 102 HD1 TRP 11 HD1 TRP 11 12.196 -6.660 -3.865 103 HE1 TRP 11 HE1 TRP 11 12.918 -7.196 -7.783 104 HE1 TRP 11 HE1 TRP 11 13.127 -7.883 -5.929 105 HE3 TRP 11 HE3 TRP 11 13.184 -1.857 -7.740 106 HE3 TRP 11 HE3 TRP 11 11.201 -3.124 -7.420 107 HZ2 TRP 11 HZ2 TRP 11 14.398 -6.158 -9.952 108 HZ2 TRP 11 HZ2 TRP 11 13.404 -7.411 -8.699 109 HZ3 TRP 11 HZ3 TRP 11 14.533 -1.896 -9.799 110 HZ3 TRP 11 HZ3 TRP 11 11.832 -3.588 -9.754 111 HH2 TRP 11 HH2 TRP 11 15.127 -4.003 -10.879 112 HH2 TRP 11 HH2 TRP 11 12.911 -5.687 -10.378 113 H GLU 12 H GLU 12 12.859 -0.476 -4.986 114 H GLU 12 H GLU 12 11.795 -0.956 -4.641 115 HA GLU 12 HA GLU 12 11.011 0.383 -2.874 116 HA GLU 12 HA GLU 12 9.825 0.047 -2.830 117 HB2 GLU 12 HB2 GLU 12 13.612 0.564 -2.381 118 HB2 GLU 12 HB2 GLU 12 11.183 1.897 -1.917 119 HB3 GLU 12 HB3 GLU 12 13.458 2.021 -3.353 120 HB3 GLU 12 HB3 GLU 12 11.750 0.321 -1.381 121 HG2 GLU 12 HG2 GLU 12 11.784 2.892 -1.839 122 HG2 GLU 12 HG2 GLU 12 13.647 0.408 -2.725 123 HG3 GLU 12 HG3 GLU 12 11.840 1.408 -0.890 124 HG3 GLU 12 HG3 GLU 12 12.978 1.678 -3.748 125 H LYS 13 H LYS 13 9.515 1.713 -3.639 126 H LYS 13 H LYS 13 8.698 1.681 -3.739 127 HA LYS 13 HA LYS 13 9.771 2.784 -6.317 128 HA LYS 13 HA LYS 13 9.444 2.479 -6.425 129 HB2 LYS 13 HB2 LYS 13 7.653 1.782 -5.634 130 HB2 LYS 13 HB2 LYS 13 7.128 1.816 -5.948 131 HB3 LYS 13 HB3 LYS 13 7.509 2.936 -4.314 132 HB3 LYS 13 HB3 LYS 13 6.987 3.127 -4.785 133 HG2 LYS 13 HG2 LYS 13 7.840 4.185 -6.932 134 HG2 LYS 13 HG2 LYS 13 7.774 4.463 -7.022 135 HG3 LYS 13 HG3 LYS 13 6.384 3.198 -6.787 136 HG3 LYS 13 HG3 LYS 13 6.791 3.165 -7.703 137 HD2 LYS 13 HD2 LYS 13 6.309 4.535 -4.439 138 HD2 LYS 13 HD2 LYS 13 4.952 4.277 -7.137 139 HD3 LYS 13 HD3 LYS 13 7.097 5.734 -5.466 140 HD3 LYS 13 HD3 LYS 13 5.421 4.174 -5.438 141 HE2 LYS 13 HE2 LYS 13 5.251 6.046 -6.750 142 HE2 LYS 13 HE2 LYS 13 6.595 6.270 -7.228 143 HE3 LYS 13 HE3 LYS 13 4.726 4.370 -6.591 144 HE3 LYS 13 HE3 LYS 13 5.008 6.500 -6.495 145 HZ1 LYS 13 HZ1 LYS 13 3.838 4.806 -4.459 146 HZ1 LYS 13 HZ1 LYS 13 6.369 5.788 -4.359 147 HZ2 LYS 13 HZ2 LYS 13 4.557 6.335 -4.378 148 HZ2 LYS 13 HZ2 LYS 13 7.645 6.458 -5.246 149 HZ3 LYS 13 HZ3 LYS 13 3.289 6.054 -5.462 150 HZ3 LYS 13 HZ3 LYS 13 6.286 7.396 -4.876 151 H ARG 14 H ARG 14 11.001 4.558 -6.495 152 H ARG 14 H ARG 14 10.118 4.457 -7.054 153 HA ARG 14 HA ARG 14 10.636 6.714 -4.525 154 HA ARG 14 HA ARG 14 10.133 6.624 -5.071 155 HB2 ARG 14 HB2 ARG 14 12.923 6.314 -6.461 156 HB2 ARG 14 HB2 ARG 14 12.454 5.409 -6.487 157 HB3 ARG 14 HB3 ARG 14 12.819 7.539 -5.204 158 HB3 ARG 14 HB3 ARG 14 12.457 7.153 -6.260 159 HG2 ARG 14 HG2 ARG 14 12.589 4.705 -4.372 160 HG2 ARG 14 HG2 ARG 14 11.797 6.308 -3.770 161 HG3 ARG 14 HG3 ARG 14 14.174 5.285 -4.886 162 HG3 ARG 14 HG3 ARG 14 12.843 4.996 -4.317 163 HD2 ARG 14 HD2 ARG 14 12.446 6.492 -2.728 164 HD2 ARG 14 HD2 ARG 14 14.689 6.305 -4.360 165 HD3 ARG 14 HD3 ARG 14 13.897 5.521 -2.476 166 HD3 ARG 14 HD3 ARG 14 13.792 7.734 -4.871 167 HE ARG 14 HE ARG 14 14.808 7.537 -4.003 168 HE ARG 14 HE ARG 14 14.375 6.921 -2.167 169 HH11 ARG 14 HH11 ARG 14 12.882 7.475 -1.104 170 HH11 ARG 14 HH11 ARG 14 12.323 8.835 -4.228 171 HH12 ARG 14 HH12 ARG 14 13.470 8.998 -0.524 172 HH12 ARG 14 HH12 ARG 14 11.861 9.931 -2.969 173 HH21 ARG 14 HH21 ARG 14 15.590 9.543 -3.251 174 HH21 ARG 14 HH21 ARG 14 13.775 8.358 -0.501 175 HH22 ARG 14 HH22 ARG 14 15.010 10.174 -1.747 176 HH22 ARG 14 HH22 ARG 14 12.688 9.660 -0.850 177 H MET 15 H MET 15 10.939 8.954 -5.457 178 H MET 15 H MET 15 10.601 8.768 -6.084 179 HA MET 15 HA MET 15 9.545 9.128 -8.048 180 HA MET 15 HA MET 15 9.450 8.878 -8.794 181 HB2 MET 15 HB2 MET 15 8.490 9.969 -5.763 182 HB2 MET 15 HB2 MET 15 8.685 10.195 -6.359 183 HB3 MET 15 HB3 MET 15 9.474 11.386 -6.101 184 HB3 MET 15 HB3 MET 15 9.175 11.399 -7.545 185 HG2 MET 15 HG2 MET 15 7.434 11.922 -7.040 186 HG2 MET 15 HG2 MET 15 7.614 9.868 -9.090 187 HG3 MET 15 HG3 MET 15 8.369 11.345 -8.418 188 HG3 MET 15 HG3 MET 15 6.852 9.586 -7.527 189 HE1 MET 15 HE1 MET 15 4.292 10.252 -7.648 190 HE1 MET 15 HE1 MET 15 4.582 11.277 -7.128 191 HE2 MET 15 HE2 MET 15 5.123 10.480 -6.109 192 HE2 MET 15 HE2 MET 15 5.967 11.175 -6.041 193 HE3 MET 15 HE3 MET 15 5.245 11.710 -7.366 194 HE3 MET 15 HE3 MET 15 5.293 12.749 -6.467 195 H SER 16 H SER 16 10.227 10.644 -9.551 196 H SER 16 H SER 16 10.347 10.267 -10.300 197 HA SER 16 HA SER 16 12.974 11.202 -9.642 198 HA SER 16 HA SER 16 13.116 10.689 -10.163 199 HB2 SER 16 HB2 SER 16 11.434 13.019 -11.296 200 HB2 SER 16 HB2 SER 16 11.309 10.689 -12.178 201 HB3 SER 16 HB3 SER 16 12.510 11.708 -11.780 202 HB3 SER 16 HB3 SER 16 11.586 12.422 -12.014 203 HG SER 16 HG SER 16 9.758 11.737 -11.497 204 HG SER 16 HG SER 16 13.952 11.493 -11.947 205 H ARG 17 H ARG 17 13.277 13.795 -10.481 206 H ARG 17 H ARG 17 13.618 13.220 -11.108 207 HA ARG 17 HA ARG 17 12.807 15.285 -7.988 208 HA ARG 17 HA ARG 17 13.447 14.754 -8.667 209 HB2 ARG 17 HB2 ARG 17 14.791 16.294 -9.938 210 HB2 ARG 17 HB2 ARG 17 15.323 14.546 -10.674 211 HB3 ARG 17 HB3 ARG 17 14.867 16.231 -8.182 212 HB3 ARG 17 HB3 ARG 17 14.578 16.104 -11.004 213 HG2 ARG 17 HG2 ARG 17 16.471 14.705 -8.691 214 HG2 ARG 17 HG2 ARG 17 15.470 17.068 -9.181 215 HG3 ARG 17 HG3 ARG 17 15.064 13.640 -8.628 216 HG3 ARG 17 HG3 ARG 17 15.284 15.618 -8.192 217 HD2 ARG 17 HD2 ARG 17 15.086 13.262 -10.856 218 HD2 ARG 17 HD2 ARG 17 17.377 15.979 -10.333 219 HD3 ARG 17 HD3 ARG 17 15.603 14.904 -11.235 220 HD3 ARG 17 HD3 ARG 17 17.650 16.249 -8.612 221 HE ARG 17 HE ARG 17 17.271 12.610 -10.918 222 HE ARG 17 HE ARG 17 16.683 13.713 -8.724 223 HH11 ARG 17 HH11 ARG 17 17.144 16.067 -10.533 224 HH11 ARG 17 HH11 ARG 17 19.304 15.382 -10.294 225 HH12 ARG 17 HH12 ARG 17 18.856 16.280 -10.703 226 HH12 ARG 17 HH12 ARG 17 20.290 13.964 -10.441 227 HH21 ARG 17 HH21 ARG 17 19.525 12.877 -11.142 228 HH21 ARG 17 HH21 ARG 17 17.972 11.841 -8.912 229 HH22 ARG 17 HH22 ARG 17 20.209 14.464 -11.050 230 HH22 ARG 17 HH22 ARG 17 19.531 11.951 -9.656 231 H ASN 18 H ASN 18 13.510 16.248 -11.344 232 H ASN 18 H ASN 18 13.039 15.922 -11.995 233 HA ASN 18 HA ASN 18 11.623 18.439 -11.105 234 HA ASN 18 HA ASN 18 10.785 17.557 -11.058 235 HB2 ASN 18 HB2 ASN 18 13.949 17.842 -12.726 236 HB2 ASN 18 HB2 ASN 18 12.490 17.858 -13.541 237 HB3 ASN 18 HB3 ASN 18 12.604 18.379 -13.728 238 HB3 ASN 18 HB3 ASN 18 11.203 18.951 -13.044 239 HD21 ASN 18 HD21 ASN 18 14.448 19.212 -10.834 240 HD21 ASN 18 HD21 ASN 18 11.568 20.419 -11.443 241 HD22 ASN 18 HD22 ASN 18 14.288 20.924 -11.011 242 HD22 ASN 18 HD22 ASN 18 13.124 20.699 -10.746 243 H SER 19 H SER 19 11.537 15.238 -12.097 244 H SER 19 H SER 19 11.531 14.832 -12.926 245 HA SER 19 HA SER 19 9.199 15.740 -13.821 246 HA SER 19 HA SER 19 9.271 15.060 -14.721 247 HB2 SER 19 HB2 SER 19 9.757 13.937 -15.160 248 HB2 SER 19 HB2 SER 19 10.050 12.520 -15.076 249 HB3 SER 19 HB3 SER 19 11.360 14.516 -14.708 250 HB3 SER 19 HB3 SER 19 10.890 13.876 -15.828 251 HG SER 19 HG SER 19 10.843 12.164 -14.466 252 HG SER 19 HG SER 19 12.569 13.157 -14.799 253 H GLY 20 H GLY 20 7.670 13.766 -13.829 254 H GLY 20 H GLY 20 10.050 13.526 -11.685 255 HA2 GLY 20 HA2 GLY 20 7.323 12.864 -11.036 256 HA2 GLY 20 HA2 GLY 20 8.753 12.386 -10.173 257 HA3 GLY 20 HA3 GLY 20 5.978 13.334 -12.064 258 HA3 GLY 20 HA3 GLY 20 7.371 13.140 -10.954 259 H ARG 21 H ARG 21 8.723 11.432 -13.147 260 H ARG 21 H ARG 21 9.338 11.286 -13.030 261 HA ARG 21 HA ARG 21 6.920 9.329 -13.989 262 HA ARG 21 HA ARG 21 7.260 9.497 -13.674 263 HB2 ARG 21 HB2 ARG 21 9.881 9.774 -14.362 264 HB2 ARG 21 HB2 ARG 21 9.617 10.228 -14.848 265 HB3 ARG 21 HB3 ARG 21 9.053 8.330 -14.929 266 HB3 ARG 21 HB3 ARG 21 9.988 8.597 -14.305 267 HG2 ARG 21 HG2 ARG 21 8.253 11.109 -15.748 268 HG2 ARG 21 HG2 ARG 21 9.185 8.246 -16.436 269 HG3 ARG 21 HG3 ARG 21 9.419 10.129 -16.641 270 HG3 ARG 21 HG3 ARG 21 7.751 7.969 -15.443 271 HD2 ARG 21 HD2 ARG 21 6.542 9.423 -16.072 272 HD2 ARG 21 HD2 ARG 21 7.116 10.355 -15.851 273 HD3 ARG 21 HD3 ARG 21 7.208 9.929 -17.625 274 HD3 ARG 21 HD3 ARG 21 8.453 10.454 -16.997 275 HE ARG 21 HE ARG 21 8.616 7.675 -16.747 276 HE ARG 21 HE ARG 21 7.139 9.389 -18.521 277 HH11 ARG 21 HH11 ARG 21 5.433 8.557 -17.848 278 HH11 ARG 21 HH11 ARG 21 5.915 8.699 -15.336 279 HH12 ARG 21 HH12 ARG 21 5.087 6.994 -18.511 280 HH12 ARG 21 HH12 ARG 21 4.532 7.830 -15.913 281 HH21 ARG 21 HH21 ARG 21 8.172 5.612 -17.615 282 HH21 ARG 21 HH21 ARG 21 5.322 8.246 -19.294 283 HH22 ARG 21 HH22 ARG 21 6.644 5.319 -18.377 284 HH22 ARG 21 HH22 ARG 21 4.197 7.572 -18.165 285 H VAL 22 H VAL 22 6.716 7.347 -13.103 286 H VAL 22 H VAL 22 6.496 8.028 -12.297 287 HA VAL 22 HA VAL 22 8.184 6.849 -10.610 288 HA VAL 22 HA VAL 22 7.719 6.969 -10.070 289 HB VAL 22 HB VAL 22 5.639 5.591 -11.642 290 HB VAL 22 HB VAL 22 5.518 5.955 -11.827 291 HG11 VAL 22 HG11 VAL 22 7.061 5.217 -9.008 292 HG11 VAL 22 HG11 VAL 22 5.168 4.143 -10.098 293 HG12 VAL 22 HG12 VAL 22 5.483 4.552 -9.429 294 HG12 VAL 22 HG12 VAL 22 6.518 3.904 -11.208 295 HG13 VAL 22 HG13 VAL 22 6.924 4.019 -10.295 296 HG13 VAL 22 HG13 VAL 22 6.818 4.462 -9.561 297 HG21 VAL 22 HG21 VAL 22 4.446 6.970 -10.237 298 HG21 VAL 22 HG21 VAL 22 5.256 7.814 -10.128 299 HG22 VAL 22 HG22 VAL 22 5.828 7.269 -9.183 300 HG22 VAL 22 HG22 VAL 22 4.130 6.463 -9.982 301 HG23 VAL 22 HG23 VAL 22 5.737 8.051 -10.760 302 HG23 VAL 22 HG23 VAL 22 5.507 6.588 -8.886 303 H TYR 23 H TYR 23 9.239 4.911 -10.223 304 H TYR 23 H TYR 23 9.031 5.264 -9.622 305 HA TYR 23 HA TYR 23 9.275 2.821 -12.210 306 HA TYR 23 HA TYR 23 9.689 3.282 -11.599 307 HB2 TYR 23 HB2 TYR 23 11.654 2.952 -12.703 308 HB2 TYR 23 HB2 TYR 23 11.996 3.804 -11.890 309 HB3 TYR 23 HB3 TYR 23 10.869 4.462 -13.152 310 HB3 TYR 23 HB3 TYR 23 11.105 5.287 -12.211 311 HD1 TYR 23 HD1 TYR 23 13.627 3.056 -11.508 312 HD1 TYR 23 HD1 TYR 23 13.321 3.566 -9.834 313 HD2 TYR 23 HD2 TYR 23 10.904 6.316 -11.259 314 HD2 TYR 23 HD2 TYR 23 11.331 7.206 -10.778 315 HE1 TYR 23 HE1 TYR 23 15.249 4.297 -10.137 316 HE1 TYR 23 HE1 TYR 23 14.695 4.742 -8.168 317 HE2 TYR 23 HE2 TYR 23 12.520 7.567 -9.890 318 HE2 TYR 23 HE2 TYR 23 12.700 8.392 -9.114 319 HH TYR 23 HH TYR 23 15.534 7.125 -9.735 320 HH TYR 23 HH TYR 23 14.682 8.208 -7.892 321 H TYR 24 H TYR 24 11.247 1.263 -11.541 322 H TYR 24 H TYR 24 11.668 1.945 -10.699 323 HA TYR 24 HA TYR 24 11.012 0.915 -8.624 324 HA TYR 24 HA TYR 24 11.329 1.681 -7.784 325 HB2 TYR 24 HB2 TYR 24 11.228 -1.130 -10.835 326 HB2 TYR 24 HB2 TYR 24 11.704 -0.621 -9.706 327 HB3 TYR 24 HB3 TYR 24 11.437 -1.531 -9.134 328 HB3 TYR 24 HB3 TYR 24 11.361 -0.718 -7.983 329 HD1 TYR 24 HD1 TYR 24 9.585 -2.102 -7.846 330 HD1 TYR 24 HD1 TYR 24 9.952 -0.107 -11.301 331 HD2 TYR 24 HD2 TYR 24 8.999 0.020 -11.487 332 HD2 TYR 24 HD2 TYR 24 9.119 -0.282 -7.133 333 HE1 TYR 24 HE1 TYR 24 7.153 -2.378 -7.608 334 HE1 TYR 24 HE1 TYR 24 7.543 -0.174 -11.792 335 HE2 TYR 24 HE2 TYR 24 6.564 -0.248 -11.258 336 HE2 TYR 24 HE2 TYR 24 6.707 -0.350 -7.612 337 HH TYR 24 HH TYR 24 4.902 -0.811 -9.810 338 HH TYR 24 HH TYR 24 5.429 0.318 -10.706 339 H PHE 25 H PHE 25 12.817 0.832 -7.439 340 H PHE 25 H PHE 25 13.126 0.835 -6.625 341 HA PHE 25 HA PHE 25 15.386 0.436 -8.816 342 HA PHE 25 HA PHE 25 15.683 0.981 -8.080 343 HB2 PHE 25 HB2 PHE 25 15.329 2.780 -8.494 344 HB2 PHE 25 HB2 PHE 25 14.986 2.922 -6.427 345 HB3 PHE 25 HB3 PHE 25 14.636 2.621 -6.883 346 HB3 PHE 25 HB3 PHE 25 15.536 1.782 -5.204 347 HD1 PHE 25 HD1 PHE 25 17.707 2.122 -8.872 348 HD1 PHE 25 HD1 PHE 25 17.715 1.963 -4.528 349 HD2 PHE 25 HD2 PHE 25 16.005 2.411 -4.981 350 HD2 PHE 25 HD2 PHE 25 16.688 3.139 -8.487 351 HE1 PHE 25 HE1 PHE 25 19.964 2.235 -7.897 352 HE1 PHE 25 HE1 PHE 25 20.039 2.667 -4.918 353 HE2 PHE 25 HE2 PHE 25 18.258 2.526 -4.001 354 HE2 PHE 25 HE2 PHE 25 19.011 3.844 -8.884 355 HZ PHE 25 HZ PHE 25 20.241 2.438 -5.459 356 HZ PHE 25 HZ PHE 25 20.691 3.607 -7.099 357 H ASN 26 H ASN 26 16.254 -1.359 -8.029 358 H ASN 26 H ASN 26 17.094 -0.638 -7.736 359 HA ASN 26 HA ASN 26 15.628 -2.242 -5.332 360 HA ASN 26 HA ASN 26 16.378 -2.636 -5.691 361 HB2 ASN 26 HB2 ASN 26 15.714 -3.742 -7.430 362 HB2 ASN 26 HB2 ASN 26 16.267 -3.254 -8.195 363 HB3 ASN 26 HB3 ASN 26 17.464 -3.658 -7.253 364 HB3 ASN 26 HB3 ASN 26 18.028 -3.230 -8.140 365 HD21 ASN 26 HD21 ASN 26 15.377 -5.827 -6.928 366 HD21 ASN 26 HD21 ASN 26 16.369 -5.472 -8.712 367 HD22 ASN 26 HD22 ASN 26 15.748 -6.535 -5.396 368 HD22 ASN 26 HD22 ASN 26 16.665 -6.657 -7.491 369 H HIS 27 H HIS 27 16.958 -2.119 -3.629 370 H HIS 27 H HIS 27 17.689 -2.523 -3.998 371 HA HIS 27 HA HIS 27 19.442 -0.669 -3.917 372 HA HIS 27 HA HIS 27 20.415 -1.542 -4.308 373 HB2 HIS 27 HB2 HIS 27 19.502 -0.917 -1.393 374 HB2 HIS 27 HB2 HIS 27 20.471 -1.377 -1.914 375 HB3 HIS 27 HB3 HIS 27 18.123 -0.035 -2.043 376 HB3 HIS 27 HB3 HIS 27 18.925 -0.731 -2.459 377 HD1 HIS 27 HD1 HIS 27 18.981 -3.498 -0.753 378 HD1 HIS 27 HD1 HIS 27 16.825 -1.871 -1.629 379 HD2 HIS 27 HD2 HIS 27 15.701 -0.997 -1.255 380 HD2 HIS 27 HD2 HIS 27 20.295 -3.918 -0.612 381 HE1 HIS 27 HE1 HIS 27 17.058 -4.680 0.356 382 HE1 HIS 27 HE1 HIS 27 16.105 -3.650 -0.004 383 H ILE 28 H ILE 28 18.436 -3.939 -3.669 384 H ILE 28 H ILE 28 19.453 -4.247 -5.230 385 HA ILE 28 HA ILE 28 20.955 -4.936 -2.669 386 HA ILE 28 HA ILE 28 21.324 -5.902 -3.665 387 HB ILE 28 HB ILE 28 18.608 -6.425 -3.851 388 HB ILE 28 HB ILE 28 18.917 -6.740 -5.282 389 HG12 ILE 28 HG12 ILE 28 19.395 -5.730 -1.026 390 HG12 ILE 28 HG12 ILE 28 19.570 -6.847 -2.332 391 HG13 ILE 28 HG13 ILE 28 17.873 -5.399 -1.844 392 HG13 ILE 28 HG13 ILE 28 18.309 -5.893 -3.106 393 HG21 ILE 28 HG21 ILE 28 20.912 -7.512 -2.243 394 HG21 ILE 28 HG21 ILE 28 20.942 -8.464 -3.860 395 HG22 ILE 28 HG22 ILE 28 19.599 -8.429 -2.982 396 HG22 ILE 28 HG22 ILE 28 19.456 -9.032 -4.619 397 HG23 ILE 28 HG23 ILE 28 20.788 -7.615 -3.999 398 HG23 ILE 28 HG23 ILE 28 20.736 -8.328 -5.606 399 HD11 ILE 28 HD11 ILE 28 18.897 -8.046 -0.866 400 HD11 ILE 28 HD11 ILE 28 17.373 -7.822 -1.987 401 HD12 ILE 28 HD12 ILE 28 17.485 -7.151 -0.305 402 HD12 ILE 28 HD12 ILE 28 17.148 -7.948 -3.732 403 HD13 ILE 28 HD13 ILE 28 17.490 -7.872 -1.914 404 HD13 ILE 28 HD13 ILE 28 18.406 -8.894 -2.934 405 H THR 29 H THR 29 19.168 -5.294 -5.737 406 H THR 29 H THR 29 20.233 -5.053 -6.910 407 HA THR 29 HA THR 29 21.529 -6.294 -7.074 408 HA THR 29 HA THR 29 22.802 -6.038 -7.950 409 HB THR 29 HB THR 29 19.975 -6.152 -9.126 410 HB THR 29 HB THR 29 21.807 -6.959 -9.900 411 HG1 THR 29 HG1 THR 29 17.757 -6.009 -8.580 412 HG1 THR 29 HG1 THR 29 19.860 -6.405 -10.582 413 HG21 THR 29 HG21 THR 29 19.537 -7.930 -6.746 414 HG21 THR 29 HG21 THR 29 20.244 -8.655 -8.984 415 HG22 THR 29 HG22 THR 29 18.608 -8.144 -8.230 416 HG22 THR 29 HG22 THR 29 21.696 -8.455 -8.003 417 HG23 THR 29 HG23 THR 29 20.366 -8.290 -8.260 418 HG23 THR 29 HG23 THR 29 20.172 -7.734 -7.482 419 H ASN 30 H ASN 30 20.221 -3.256 -6.399 420 H ASN 30 H ASN 30 21.621 -3.352 -7.200 421 HA ASN 30 HA ASN 30 20.743 -1.142 -7.052 422 HA ASN 30 HA ASN 30 21.196 -1.278 -8.184 423 HB2 ASN 30 HB2 ASN 30 23.106 -2.430 -6.953 424 HB2 ASN 30 HB2 ASN 30 23.943 -2.177 -8.311 425 HB3 ASN 30 HB3 ASN 30 23.088 -1.989 -8.658 426 HB3 ASN 30 HB3 ASN 30 23.605 -1.022 -9.597 427 HD21 ASN 30 HD21 ASN 30 21.769 0.431 -8.539 428 HD21 ASN 30 HD21 ASN 30 21.766 0.610 -8.390 429 HD22 ASN 30 HD22 ASN 30 22.758 1.573 -7.700 430 HD22 ASN 30 HD22 ASN 30 22.512 1.449 -7.077 431 H ALA 31 H ALA 31 19.312 -3.135 -8.882 432 H ALA 31 H ALA 31 19.500 -1.836 -9.657 433 HA ALA 31 HA ALA 31 19.801 -1.921 -11.493 434 HA ALA 31 HA ALA 31 20.171 -1.231 -12.382 435 HB1 ALA 31 HB1 ALA 31 19.591 -4.335 -11.433 436 HB1 ALA 31 HB1 ALA 31 19.262 -3.261 -13.381 437 HB2 ALA 31 HB2 ALA 31 17.997 -4.201 -10.692 438 HB2 ALA 31 HB2 ALA 31 20.652 -3.628 -12.360 439 HB3 ALA 31 HB3 ALA 31 18.252 -3.632 -12.341 440 HB3 ALA 31 HB3 ALA 31 19.019 -3.954 -11.777 441 H SER 32 H SER 32 18.143 -0.931 -12.717 442 H SER 32 H SER 32 18.451 -0.404 -13.502 443 HA SER 32 HA SER 32 15.812 -0.029 -11.163 444 HA SER 32 HA SER 32 15.970 -0.098 -11.966 445 HB2 SER 32 HB2 SER 32 16.042 2.205 -11.993 446 HB2 SER 32 HB2 SER 32 16.240 1.495 -14.415 447 HB3 SER 32 HB3 SER 32 17.620 1.731 -11.364 448 HB3 SER 32 HB3 SER 32 15.830 2.005 -12.778 449 HG SER 32 HG SER 32 17.305 2.735 -13.634 450 HG SER 32 HG SER 32 18.209 2.113 -14.070 451 H GLN 33 H GLN 33 13.890 0.076 -12.237 452 H GLN 33 H GLN 33 13.927 -0.325 -12.993 453 HA GLN 33 HA GLN 33 13.743 -0.074 -15.105 454 HA GLN 33 HA GLN 33 13.967 -1.932 -15.459 455 HB2 GLN 33 HB2 GLN 33 12.418 -2.203 -15.093 456 HB2 GLN 33 HB2 GLN 33 13.542 -3.442 -13.625 457 HB3 GLN 33 HB3 GLN 33 14.126 -2.403 -14.727 458 HB3 GLN 33 HB3 GLN 33 12.296 -2.378 -12.983 459 HG2 GLN 33 HG2 GLN 33 13.695 -2.739 -12.433 460 HG2 GLN 33 HG2 GLN 33 10.780 -3.472 -14.154 461 HG3 GLN 33 HG3 GLN 33 12.029 -2.190 -12.591 462 HG3 GLN 33 HG3 GLN 33 11.578 -2.966 -15.641 463 HE21 GLN 33 HE21 GLN 33 10.530 -3.540 -13.691 464 HE21 GLN 33 HE21 GLN 33 11.878 -5.378 -13.060 465 HE22 GLN 33 HE22 GLN 33 10.789 -5.245 -13.791 466 HE22 GLN 33 HE22 GLN 33 12.357 -6.677 -14.095 467 H PHE 34 H PHE 34 11.956 0.927 -15.784 468 H PHE 34 H PHE 34 12.048 0.165 -13.346 469 HA PHE 34 HA PHE 34 10.135 2.045 -13.910 470 HA PHE 34 HA PHE 34 10.395 1.667 -13.780 471 HB2 PHE 34 HB2 PHE 34 10.180 1.963 -16.925 472 HB2 PHE 34 HB2 PHE 34 11.951 1.605 -16.315 473 HB3 PHE 34 HB3 PHE 34 8.903 2.770 -16.020 474 HB3 PHE 34 HB3 PHE 34 10.373 2.385 -16.355 475 HD1 PHE 34 HD1 PHE 34 12.604 2.690 -16.389 476 HD1 PHE 34 HD1 PHE 34 13.537 2.350 -14.392 477 HD2 PHE 34 HD2 PHE 34 9.155 4.983 -15.410 478 HD2 PHE 34 HD2 PHE 34 10.194 4.605 -15.756 479 HE1 PHE 34 HE1 PHE 34 13.996 4.713 -16.241 480 HE1 PHE 34 HE1 PHE 34 14.529 4.391 -13.442 481 HE2 PHE 34 HE2 PHE 34 10.541 7.011 -15.261 482 HE2 PHE 34 HE2 PHE 34 11.182 6.649 -14.808 483 HZ PHE 34 HZ PHE 34 12.965 6.878 -15.678 484 HZ PHE 34 HZ PHE 34 13.353 6.544 -13.650 485 H GLU 35 H GLU 35 9.929 -0.603 -16.242 486 H GLU 35 H GLU 35 9.683 -1.044 -13.787 487 HA GLU 35 HA GLU 35 7.194 -1.148 -15.972 488 HA GLU 35 HA GLU 35 7.218 -0.897 -15.282 489 HB2 GLU 35 HB2 GLU 35 9.565 -2.767 -16.826 490 HB2 GLU 35 HB2 GLU 35 9.462 -2.563 -16.162 491 HB3 GLU 35 HB3 GLU 35 8.006 -3.551 -16.619 492 HB3 GLU 35 HB3 GLU 35 7.962 -3.456 -15.960 493 HG2 GLU 35 HG2 GLU 35 8.578 -2.787 -18.950 494 HG2 GLU 35 HG2 GLU 35 8.421 -1.056 -17.711 495 HG3 GLU 35 HG3 GLU 35 7.014 -2.272 -18.320 496 HG3 GLU 35 HG3 GLU 35 8.135 -2.716 -18.228 497 H ARG 36 H ARG 36 6.026 -2.473 -14.633 498 H ARG 36 H ARG 36 5.683 -2.540 -14.655 499 HA ARG 36 HA ARG 36 6.991 -2.824 -11.989 500 HA ARG 36 HA ARG 36 5.496 -2.985 -11.949 501 HB2 ARG 36 HB2 ARG 36 4.642 -2.425 -12.363 502 HB2 ARG 36 HB2 ARG 36 3.634 -3.224 -13.577 503 HB3 ARG 36 HB3 ARG 36 4.513 -3.862 -13.370 504 HB3 ARG 36 HB3 ARG 36 4.328 -4.749 -14.109 505 HG2 ARG 36 HG2 ARG 36 5.086 -5.233 -11.373 506 HG2 ARG 36 HG2 ARG 36 2.587 -5.294 -12.621 507 HG3 ARG 36 HG3 ARG 36 5.014 -3.759 -10.405 508 HG3 ARG 36 HG3 ARG 36 4.090 -5.554 -11.735 509 HD2 ARG 36 HD2 ARG 36 2.682 -3.437 -11.086 510 HD2 ARG 36 HD2 ARG 36 3.830 -3.364 -10.666 511 HD3 ARG 36 HD3 ARG 36 2.760 -4.917 -12.040 512 HD3 ARG 36 HD3 ARG 36 2.322 -3.117 -11.547 513 HE ARG 36 HE ARG 36 3.449 -5.770 -9.583 514 HE ARG 36 HE ARG 36 2.372 -5.514 -9.953 515 HH11 ARG 36 HH11 ARG 36 0.797 -3.839 -10.749 516 HH11 ARG 36 HH11 ARG 36 1.686 -2.101 -9.995 517 HH12 ARG 36 HH12 ARG 36 -0.303 -4.374 -9.522 518 HH12 ARG 36 HH12 ARG 36 0.590 -2.172 -8.654 519 HH21 ARG 36 HH21 ARG 36 2.010 -6.482 -7.963 520 HH21 ARG 36 HH21 ARG 36 0.932 -5.621 -8.187 521 HH22 ARG 36 HH22 ARG 36 0.388 -5.877 -7.937 522 HH22 ARG 36 HH22 ARG 36 0.163 -4.174 -7.627 523 HA PRO 37 HA PRO 37 9.075 -6.698 -12.642 524 HA PRO 37 HA PRO 37 8.745 -6.072 -11.545 525 HB2 PRO 37 HB2 PRO 37 9.720 -7.122 -10.039 526 HB2 PRO 37 HB2 PRO 37 8.776 -6.010 -8.831 527 HB3 PRO 37 HB3 PRO 37 10.582 -5.970 -11.067 528 HB3 PRO 37 HB3 PRO 37 9.580 -4.793 -9.830 529 HG2 PRO 37 HG2 PRO 37 8.428 -5.466 -9.051 530 HG2 PRO 37 HG2 PRO 37 6.922 -4.662 -8.457 531 HG3 PRO 37 HG3 PRO 37 9.924 -4.559 -9.340 532 HG3 PRO 37 HG3 PRO 37 8.187 -3.424 -8.566 533 HD2 PRO 37 HD2 PRO 37 7.518 -3.737 -10.273 534 HD2 PRO 37 HD2 PRO 37 5.982 -3.394 -10.136 535 HD3 PRO 37 HD3 PRO 37 9.037 -3.425 -11.140 536 HD3 PRO 37 HD3 PRO 37 7.555 -2.783 -10.687 537 H SER 38 H SER 38 8.592 -8.854 -12.412 538 H SER 38 H SER 38 8.498 -8.217 -11.497 539 HA SER 38 HA SER 38 6.565 -9.709 -10.520 540 HA SER 38 HA SER 38 6.479 -9.419 -9.763 541 HB2 SER 38 HB2 SER 38 5.164 -9.000 -12.366 542 HB2 SER 38 HB2 SER 38 5.392 -9.035 -11.976 543 HB3 SER 38 HB3 SER 38 6.149 -9.909 -13.512 544 HB3 SER 38 HB3 SER 38 6.628 -10.047 -12.721 545 HG SER 38 HG SER 38 4.913 -11.541 -13.096 546 HG SER 38 HG SER 38 4.391 -10.872 -11.744 547 H GLY 39 H GLY 39 9.067 -10.465 -10.278 548 H GLY 39 H GLY 39 6.617 -11.962 -10.172 549 HA2 GLY 39 HA2 GLY 39 9.333 -13.064 -11.641 550 HA2 GLY 39 HA2 GLY 39 8.024 -13.842 -10.521 551 HA3 GLY 39 HA3 GLY 39 10.654 -12.167 -10.907 552 HA3 GLY 39 HA3 GLY 39 9.407 -12.760 -10.591 Start of MODEL 10 1 H1 SER 5 H SER 5 0.565 0.592 -3.045 2 H1 SER 5 H SER 5 1.630 1.652 -2.755 3 HA SER 5 HA SER 5 2.457 0.236 -1.314 4 HA SER 5 HA SER 5 2.356 0.609 -0.516 5 HB2 SER 5 HB2 SER 5 0.296 0.371 -0.388 6 HB2 SER 5 HB2 SER 5 -0.563 0.165 -1.066 7 HB3 SER 5 HB3 SER 5 -0.244 -1.094 -1.207 8 HB3 SER 5 HB3 SER 5 0.210 0.790 0.391 9 HG SER 5 HG SER 5 1.534 -0.873 0.986 10 HG SER 5 HG SER 5 -0.731 2.134 -1.744 11 H LYS 6 H LYS 6 0.753 -2.770 -2.186 12 H LYS 6 H LYS 6 3.085 -1.348 -2.431 13 HA LYS 6 HA LYS 6 2.636 -4.543 -1.223 14 HA LYS 6 HA LYS 6 2.753 -3.699 -0.947 15 HB2 LYS 6 HB2 LYS 6 1.645 -6.203 -2.750 16 HB2 LYS 6 HB2 LYS 6 1.403 -4.991 -2.660 17 HB3 LYS 6 HB3 LYS 6 0.417 -5.252 -1.924 18 HB3 LYS 6 HB3 LYS 6 0.502 -3.844 -1.678 19 HG2 LYS 6 HG2 LYS 6 0.960 -3.889 -4.308 20 HG2 LYS 6 HG2 LYS 6 0.678 -2.211 -3.554 21 HG3 LYS 6 HG3 LYS 6 0.868 -5.599 -4.733 22 HG3 LYS 6 HG3 LYS 6 1.393 -3.496 -4.530 23 HD2 LYS 6 HD2 LYS 6 -1.342 -4.961 -4.901 24 HD2 LYS 6 HD2 LYS 6 -0.966 -3.354 -5.013 25 HD3 LYS 6 HD3 LYS 6 -1.275 -5.561 -3.243 26 HD3 LYS 6 HD3 LYS 6 -0.641 -4.859 -4.149 27 HE2 LYS 6 HE2 LYS 6 -1.334 -3.426 -2.336 28 HE2 LYS 6 HE2 LYS 6 -1.721 -4.164 -2.257 29 HE3 LYS 6 HE3 LYS 6 -0.764 -2.671 -3.823 30 HE3 LYS 6 HE3 LYS 6 -1.379 -2.461 -2.555 31 HZ1 LYS 6 HZ1 LYS 6 -3.456 -3.821 -3.331 32 HZ1 LYS 6 HZ1 LYS 6 -3.673 -2.746 -2.902 33 HZ2 LYS 6 HZ2 LYS 6 -3.071 -2.187 -3.547 34 HZ2 LYS 6 HZ2 LYS 6 -3.001 -2.642 -4.452 35 HZ3 LYS 6 HZ3 LYS 6 -2.921 -3.270 -4.838 36 HZ3 LYS 6 HZ3 LYS 6 -3.456 -4.147 -3.826 37 H LEU 7 H LEU 7 4.679 -4.916 -1.746 38 H LEU 7 H LEU 7 4.756 -4.417 -1.270 39 HA LEU 7 HA LEU 7 5.514 -4.968 -4.519 40 HA LEU 7 HA LEU 7 5.587 -5.115 -3.962 41 HB2 LEU 7 HB2 LEU 7 6.018 -2.703 -2.817 42 HB2 LEU 7 HB2 LEU 7 7.315 -3.370 -2.216 43 HB3 LEU 7 HB3 LEU 7 7.535 -3.471 -3.281 44 HB3 LEU 7 HB3 LEU 7 7.722 -3.989 -3.815 45 HG LEU 7 HG LEU 7 6.559 -3.314 -5.694 46 HG LEU 7 HG LEU 7 5.464 -2.062 -3.290 47 HD11 LEU 7 HD11 LEU 7 4.474 -2.484 -5.680 48 HD11 LEU 7 HD11 LEU 7 7.188 -0.511 -4.510 49 HD12 LEU 7 HD12 LEU 7 4.674 -1.721 -4.103 50 HD12 LEU 7 HD12 LEU 7 7.251 -0.728 -2.761 51 HD13 LEU 7 HD13 LEU 7 5.293 -0.927 -5.552 52 HD13 LEU 7 HD13 LEU 7 8.365 -1.617 -3.800 53 HD21 LEU 7 HD21 LEU 7 7.823 -1.197 -4.018 54 HD21 LEU 7 HD21 LEU 7 5.668 -3.634 -5.393 55 HD22 LEU 7 HD22 LEU 7 8.491 -2.120 -5.364 56 HD22 LEU 7 HD22 LEU 7 5.177 -1.948 -5.557 57 HD23 LEU 7 HD23 LEU 7 7.348 -0.812 -5.673 58 HD23 LEU 7 HD23 LEU 7 6.841 -2.420 -5.905 59 HA PRO 8 HA PRO 8 8.190 -8.133 -3.077 60 HA PRO 8 HA PRO 8 7.349 -8.578 -1.917 61 HB2 PRO 8 HB2 PRO 8 10.256 -7.925 -4.826 62 HB2 PRO 8 HB2 PRO 8 9.360 -9.211 -3.626 63 HB3 PRO 8 HB3 PRO 8 8.674 -8.568 -5.281 64 HB3 PRO 8 HB3 PRO 8 7.656 -9.495 -4.001 65 HG2 PRO 8 HG2 PRO 8 9.801 -5.827 -5.710 66 HG2 PRO 8 HG2 PRO 8 9.439 -7.251 -4.868 67 HG3 PRO 8 HG3 PRO 8 8.872 -6.842 -6.828 68 HG3 PRO 8 HG3 PRO 8 8.255 -8.170 -5.816 69 HD2 PRO 8 HD2 PRO 8 7.753 -4.809 -5.434 70 HD2 PRO 8 HD2 PRO 8 7.727 -5.709 -4.819 71 HD3 PRO 8 HD3 PRO 8 6.856 -6.280 -5.862 72 HD3 PRO 8 HD3 PRO 8 6.473 -6.952 -5.008 73 HA PRO 9 HA PRO 9 11.157 -6.394 -0.317 74 HA PRO 9 HA PRO 9 10.899 -7.578 0.477 75 HB2 PRO 9 HB2 PRO 9 12.670 -8.595 0.166 76 HB2 PRO 9 HB2 PRO 9 12.315 -9.893 0.548 77 HB3 PRO 9 HB3 PRO 9 11.045 -8.383 0.828 78 HB3 PRO 9 HB3 PRO 9 10.788 -9.674 1.411 79 HG2 PRO 9 HG2 PRO 9 11.928 -9.958 -1.561 80 HG2 PRO 9 HG2 PRO 9 11.303 -11.015 -1.215 81 HG3 PRO 9 HG3 PRO 9 10.765 -10.399 -0.296 82 HG3 PRO 9 HG3 PRO 9 10.260 -11.535 0.121 83 HD2 PRO 9 HD2 PRO 9 9.997 -9.497 -2.731 84 HD2 PRO 9 HD2 PRO 9 9.288 -10.329 -2.100 85 HD3 PRO 9 HD3 PRO 9 9.065 -9.173 -1.254 86 HD3 PRO 9 HD3 PRO 9 8.547 -10.124 -0.500 87 H GLY 10 H GLY 10 13.007 -5.277 -0.540 88 H GLY 10 H GLY 10 12.206 -6.101 -0.487 89 HA2 GLY 10 HA2 GLY 10 15.319 -5.112 -1.154 90 HA2 GLY 10 HA2 GLY 10 14.527 -5.797 -1.161 91 HA3 GLY 10 HA3 GLY 10 15.011 -6.235 -2.470 92 HA3 GLY 10 HA3 GLY 10 14.326 -7.167 -2.244 93 H TRP 11 H TRP 11 12.490 -4.711 -3.114 94 H TRP 11 H TRP 11 12.165 -4.403 -1.758 95 HA TRP 11 HA TRP 11 13.792 -2.727 -4.809 96 HA TRP 11 HA TRP 11 12.928 -3.255 -4.309 97 HB2 TRP 11 HB2 TRP 11 11.017 -3.919 -4.806 98 HB2 TRP 11 HB2 TRP 11 10.272 -4.586 -3.839 99 HB3 TRP 11 HB3 TRP 11 11.493 -2.603 -5.877 100 HB3 TRP 11 HB3 TRP 11 10.433 -3.267 -4.996 101 HD1 TRP 11 HD1 TRP 11 11.797 -6.348 -5.434 102 HD1 TRP 11 HD1 TRP 11 11.373 -6.926 -4.477 103 HE1 TRP 11 HE1 TRP 11 12.977 -7.353 -7.488 104 HE1 TRP 11 HE1 TRP 11 12.220 -7.890 -6.707 105 HE3 TRP 11 HE3 TRP 11 13.317 -2.020 -7.693 106 HE3 TRP 11 HE3 TRP 11 11.596 -2.603 -7.196 107 HZ2 TRP 11 HZ2 TRP 11 14.369 -6.433 -9.764 108 HZ2 TRP 11 HZ2 TRP 11 12.893 -6.943 -9.280 109 HZ3 TRP 11 HZ3 TRP 11 14.569 -2.171 -9.806 110 HZ3 TRP 11 HZ3 TRP 11 12.352 -2.718 -9.534 111 HH2 TRP 11 HH2 TRP 11 15.084 -4.332 -10.818 112 HH2 TRP 11 HH2 TRP 11 12.987 -4.844 -10.553 113 H GLU 12 H GLU 12 13.062 -0.561 -4.970 114 H GLU 12 H GLU 12 12.622 -1.095 -4.356 115 HA GLU 12 HA GLU 12 11.349 0.404 -2.798 116 HA GLU 12 HA GLU 12 10.845 0.111 -2.354 117 HB2 GLU 12 HB2 GLU 12 14.090 1.508 -3.440 118 HB2 GLU 12 HB2 GLU 12 13.079 0.213 -1.409 119 HB3 GLU 12 HB3 GLU 12 12.938 2.253 -2.340 120 HB3 GLU 12 HB3 GLU 12 13.707 0.917 -2.891 121 HG2 GLU 12 HG2 GLU 12 13.737 -0.569 -1.862 122 HG2 GLU 12 HG2 GLU 12 12.152 2.854 -2.498 123 HG3 GLU 12 HG3 GLU 12 14.876 0.717 -1.463 124 HG3 GLU 12 HG3 GLU 12 11.838 2.171 -0.904 125 H LYS 13 H LYS 13 10.015 2.027 -3.374 126 H LYS 13 H LYS 13 9.440 1.397 -3.327 127 HA LYS 13 HA LYS 13 10.127 2.918 -6.155 128 HA LYS 13 HA LYS 13 9.841 2.262 -6.043 129 HB2 LYS 13 HB2 LYS 13 8.031 1.971 -4.917 130 HB2 LYS 13 HB2 LYS 13 7.629 1.553 -5.313 131 HB3 LYS 13 HB3 LYS 13 7.909 3.596 -4.255 132 HB3 LYS 13 HB3 LYS 13 7.605 2.809 -4.082 133 HG2 LYS 13 HG2 LYS 13 8.069 4.340 -6.737 134 HG2 LYS 13 HG2 LYS 13 8.088 4.164 -6.460 135 HG3 LYS 13 HG3 LYS 13 7.594 2.674 -7.076 136 HG3 LYS 13 HG3 LYS 13 6.878 2.945 -6.869 137 HD2 LYS 13 HD2 LYS 13 5.910 3.679 -5.016 138 HD2 LYS 13 HD2 LYS 13 5.984 3.926 -4.458 139 HD3 LYS 13 HD3 LYS 13 5.953 4.867 -6.321 140 HD3 LYS 13 HD3 LYS 13 6.634 5.362 -5.252 141 HE2 LYS 13 HE2 LYS 13 5.698 2.548 -7.715 142 HE2 LYS 13 HE2 LYS 13 5.098 5.288 -6.943 143 HE3 LYS 13 HE3 LYS 13 4.792 2.169 -6.251 144 HE3 LYS 13 HE3 LYS 13 4.913 3.538 -6.847 145 HZ1 LYS 13 HZ1 LYS 13 3.453 3.181 -8.066 146 HZ1 LYS 13 HZ1 LYS 13 2.924 4.563 -6.059 147 HZ2 LYS 13 HZ2 LYS 13 3.384 4.032 -6.605 148 HZ2 LYS 13 HZ2 LYS 13 3.714 3.882 -4.727 149 HZ3 LYS 13 HZ3 LYS 13 4.340 4.610 -7.875 150 HZ3 LYS 13 HZ3 LYS 13 3.779 5.553 -4.986 151 H ARG 14 H ARG 14 10.580 4.954 -6.757 152 H ARG 14 H ARG 14 10.570 4.173 -6.729 153 HA ARG 14 HA ARG 14 10.666 7.045 -4.695 154 HA ARG 14 HA ARG 14 10.717 6.392 -4.799 155 HB2 ARG 14 HB2 ARG 14 12.806 6.633 -6.790 156 HB2 ARG 14 HB2 ARG 14 12.856 5.267 -6.568 157 HB3 ARG 14 HB3 ARG 14 12.784 7.870 -5.541 158 HB3 ARG 14 HB3 ARG 14 12.867 6.984 -6.187 159 HG2 ARG 14 HG2 ARG 14 12.636 5.059 -4.639 160 HG2 ARG 14 HG2 ARG 14 12.508 5.789 -3.729 161 HG3 ARG 14 HG3 ARG 14 14.169 5.609 -5.319 162 HG3 ARG 14 HG3 ARG 14 13.632 4.711 -4.558 163 HD2 ARG 14 HD2 ARG 14 12.668 6.888 -3.037 164 HD2 ARG 14 HD2 ARG 14 15.298 6.228 -4.544 165 HD3 ARG 14 HD3 ARG 14 14.127 5.908 -2.901 166 HD3 ARG 14 HD3 ARG 14 14.205 7.579 -4.849 167 HE ARG 14 HE ARG 14 14.891 7.882 -4.570 168 HE ARG 14 HE ARG 14 15.086 6.595 -2.284 169 HH11 ARG 14 HH11 ARG 14 13.311 7.883 -1.467 170 HH11 ARG 14 HH11 ARG 14 12.693 8.448 -4.006 171 HH12 ARG 14 HH12 ARG 14 13.981 9.404 -0.981 172 HH12 ARG 14 HH12 ARG 14 12.217 9.368 -2.617 173 HH21 ARG 14 HH21 ARG 14 15.780 9.886 -3.940 174 HH21 ARG 14 HH21 ARG 14 14.468 7.802 -0.449 175 HH22 ARG 14 HH22 ARG 14 15.385 10.544 -2.389 176 HH22 ARG 14 HH22 ARG 14 13.228 9.001 -0.595 177 H MET 15 H MET 15 10.839 9.260 -5.688 178 H MET 15 H MET 15 10.936 8.534 -5.840 179 HA MET 15 HA MET 15 9.370 9.353 -8.241 180 HA MET 15 HA MET 15 9.452 8.597 -8.383 181 HB2 MET 15 HB2 MET 15 9.076 11.176 -5.848 182 HB2 MET 15 HB2 MET 15 8.611 9.652 -6.070 183 HB3 MET 15 HB3 MET 15 8.279 11.416 -7.397 184 HB3 MET 15 HB3 MET 15 9.569 11.007 -6.649 185 HG2 MET 15 HG2 MET 15 7.834 8.768 -6.273 186 HG2 MET 15 HG2 MET 15 7.907 11.633 -7.956 187 HG3 MET 15 HG3 MET 15 7.249 10.074 -5.246 188 HG3 MET 15 HG3 MET 15 7.984 10.092 -8.805 189 HE1 MET 15 HE1 MET 15 5.253 10.799 -5.223 190 HE1 MET 15 HE1 MET 15 6.372 12.461 -6.816 191 HE2 MET 15 HE2 MET 15 5.154 12.017 -6.496 192 HE2 MET 15 HE2 MET 15 4.840 11.981 -7.545 193 HE3 MET 15 HE3 MET 15 3.970 10.711 -6.431 194 HE3 MET 15 HE3 MET 15 5.120 11.712 -5.824 195 H SER 16 H SER 16 10.273 10.512 -9.819 196 H SER 16 H SER 16 10.023 10.161 -9.951 197 HA SER 16 HA SER 16 12.850 11.530 -9.677 198 HA SER 16 HA SER 16 12.767 10.478 -10.379 199 HB2 SER 16 HB2 SER 16 10.723 12.450 -11.621 200 HB2 SER 16 HB2 SER 16 10.602 10.733 -11.955 201 HB3 SER 16 HB3 SER 16 12.469 12.466 -11.866 202 HB3 SER 16 HB3 SER 16 10.945 12.439 -11.668 203 HG SER 16 HG SER 16 12.345 10.475 -12.498 204 HG SER 16 HG SER 16 12.150 11.904 -13.414 205 H ARG 17 H ARG 17 13.261 13.938 -10.470 206 H ARG 17 H ARG 17 13.365 12.988 -11.111 207 HA ARG 17 HA ARG 17 12.920 15.605 -8.298 208 HA ARG 17 HA ARG 17 13.799 14.279 -8.591 209 HB2 ARG 17 HB2 ARG 17 13.206 16.537 -11.158 210 HB2 ARG 17 HB2 ARG 17 15.561 14.345 -10.223 211 HB3 ARG 17 HB3 ARG 17 13.673 17.413 -9.706 212 HB3 ARG 17 HB3 ARG 17 14.494 15.062 -11.422 213 HG2 ARG 17 HG2 ARG 17 15.714 16.615 -10.121 214 HG2 ARG 17 HG2 ARG 17 14.468 16.758 -9.167 215 HG3 ARG 17 HG3 ARG 17 15.097 15.106 -9.444 216 HG3 ARG 17 HG3 ARG 17 16.152 16.347 -9.500 217 HD2 ARG 17 HD2 ARG 17 15.734 14.212 -11.400 218 HD2 ARG 17 HD2 ARG 17 14.173 17.441 -11.497 219 HD3 ARG 17 HD3 ARG 17 14.251 14.933 -12.025 220 HD3 ARG 17 HD3 ARG 17 15.451 18.363 -10.705 221 HE ARG 17 HE ARG 17 16.064 16.921 -12.292 222 HE ARG 17 HE ARG 17 15.726 16.677 -12.975 223 HH11 ARG 17 HH11 ARG 17 16.022 13.578 -13.261 224 HH11 ARG 17 HH11 ARG 17 17.371 17.744 -10.098 225 HH12 ARG 17 HH12 ARG 17 17.016 13.834 -14.656 226 HH12 ARG 17 HH12 ARG 17 18.955 17.491 -10.753 227 HH21 ARG 17 HH21 ARG 17 17.373 17.272 -14.126 228 HH21 ARG 17 HH21 ARG 17 17.806 16.339 -13.848 229 HH22 ARG 17 HH22 ARG 17 17.785 15.936 -15.147 230 HH22 ARG 17 HH22 ARG 17 19.202 16.693 -12.886 231 H ASN 18 H ASN 18 11.419 16.461 -11.397 232 H ASN 18 H ASN 18 12.850 16.030 -11.501 233 HA ASN 18 HA ASN 18 8.923 17.054 -9.956 234 HA ASN 18 HA ASN 18 10.832 17.445 -9.902 235 HB2 ASN 18 HB2 ASN 18 9.869 18.784 -12.224 236 HB2 ASN 18 HB2 ASN 18 12.495 18.233 -12.276 237 HB3 ASN 18 HB3 ASN 18 8.698 19.156 -10.962 238 HB3 ASN 18 HB3 ASN 18 11.004 19.096 -11.907 239 HD21 ASN 18 HD21 ASN 18 9.854 18.745 -8.672 240 HD21 ASN 18 HD21 ASN 18 13.379 20.413 -11.912 241 HD22 ASN 18 HD22 ASN 18 11.312 19.655 -8.490 242 HD22 ASN 18 HD22 ASN 18 13.815 20.855 -10.299 243 H SER 19 H SER 19 9.982 14.881 -11.828 244 H SER 19 H SER 19 10.685 14.831 -11.528 245 HA SER 19 HA SER 19 8.077 15.155 -14.037 246 HA SER 19 HA SER 19 8.258 15.567 -13.027 247 HB2 SER 19 HB2 SER 19 9.387 12.761 -14.429 248 HB2 SER 19 HB2 SER 19 9.049 14.610 -14.894 249 HB3 SER 19 HB3 SER 19 9.849 14.306 -15.144 250 HB3 SER 19 HB3 SER 19 10.611 14.459 -14.090 251 HG SER 19 HG SER 19 11.617 14.138 -14.043 252 HG SER 19 HG SER 19 9.179 12.504 -14.934 253 H GLY 20 H GLY 20 8.789 13.191 -11.216 254 H GLY 20 H GLY 20 6.784 13.646 -13.362 255 HA2 GLY 20 HA2 GLY 20 7.516 11.662 -10.072 256 HA2 GLY 20 HA2 GLY 20 6.565 12.226 -10.804 257 HA3 GLY 20 HA3 GLY 20 6.124 12.352 -10.893 258 HA3 GLY 20 HA3 GLY 20 5.267 12.465 -11.964 259 H ARG 21 H ARG 21 8.656 11.089 -12.853 260 H ARG 21 H ARG 21 8.479 11.336 -12.815 261 HA ARG 21 HA ARG 21 7.066 9.366 -14.304 262 HA ARG 21 HA ARG 21 7.337 8.973 -14.019 263 HB2 ARG 21 HB2 ARG 21 10.016 9.534 -13.839 264 HB2 ARG 21 HB2 ARG 21 9.589 10.565 -14.503 265 HB3 ARG 21 HB3 ARG 21 9.367 8.165 -14.730 266 HB3 ARG 21 HB3 ARG 21 10.231 9.017 -13.970 267 HG2 ARG 21 HG2 ARG 21 8.611 10.940 -15.521 268 HG2 ARG 21 HG2 ARG 21 10.092 8.777 -16.267 269 HG3 ARG 21 HG3 ARG 21 10.175 10.279 -15.999 270 HG3 ARG 21 HG3 ARG 21 8.617 7.996 -15.694 271 HD2 ARG 21 HD2 ARG 21 7.520 8.958 -16.540 272 HD2 ARG 21 HD2 ARG 21 7.423 10.162 -16.095 273 HD3 ARG 21 HD3 ARG 21 8.387 9.964 -17.698 274 HD3 ARG 21 HD3 ARG 21 8.894 10.759 -16.862 275 HE ARG 21 HE ARG 21 10.015 7.844 -16.714 276 HE ARG 21 HE ARG 21 6.957 9.025 -18.013 277 HH11 ARG 21 HH11 ARG 21 7.460 8.594 -18.958 278 HH11 ARG 21 HH11 ARG 21 10.367 9.726 -17.943 279 HH12 ARG 21 HH12 ARG 21 7.845 7.291 -20.033 280 HH12 ARG 21 HH12 ARG 21 10.660 9.102 -19.532 281 HH21 ARG 21 HH21 ARG 21 10.530 6.124 -18.121 282 HH21 ARG 21 HH21 ARG 21 7.332 8.199 -20.106 283 HH22 ARG 21 HH22 ARG 21 9.591 5.887 -19.555 284 HH22 ARG 21 HH22 ARG 21 8.934 8.234 -20.761 285 H VAL 22 H VAL 22 8.981 8.691 -11.412 286 H VAL 22 H VAL 22 6.642 7.654 -12.359 287 HA VAL 22 HA VAL 22 8.895 6.993 -9.896 288 HA VAL 22 HA VAL 22 8.141 7.035 -10.050 289 HB VAL 22 HB VAL 22 6.343 6.156 -11.279 290 HB VAL 22 HB VAL 22 5.740 5.880 -11.372 291 HG11 VAL 22 HG11 VAL 22 7.266 4.442 -9.822 292 HG11 VAL 22 HG11 VAL 22 6.842 3.843 -10.918 293 HG12 VAL 22 HG12 VAL 22 7.390 5.607 -8.504 294 HG12 VAL 22 HG12 VAL 22 7.434 4.421 -9.361 295 HG13 VAL 22 HG13 VAL 22 5.805 5.132 -9.115 296 HG13 VAL 22 HG13 VAL 22 5.717 4.086 -9.582 297 HG21 VAL 22 HG21 VAL 22 5.893 7.528 -8.824 298 HG21 VAL 22 HG21 VAL 22 6.245 6.565 -8.484 299 HG22 VAL 22 HG22 VAL 22 6.906 8.536 -9.857 300 HG22 VAL 22 HG22 VAL 22 5.726 7.750 -9.683 301 HG23 VAL 22 HG23 VAL 22 5.347 7.957 -10.445 302 HG23 VAL 22 HG23 VAL 22 4.693 6.373 -9.299 303 H TYR 23 H TYR 23 9.584 4.863 -9.695 304 H TYR 23 H TYR 23 9.552 5.413 -9.581 305 HA TYR 23 HA TYR 23 9.453 2.973 -11.816 306 HA TYR 23 HA TYR 23 10.094 3.326 -11.526 307 HB2 TYR 23 HB2 TYR 23 11.868 2.887 -12.335 308 HB2 TYR 23 HB2 TYR 23 12.392 3.839 -11.860 309 HB3 TYR 23 HB3 TYR 23 11.138 4.414 -12.821 310 HB3 TYR 23 HB3 TYR 23 11.509 5.332 -12.156 311 HD1 TYR 23 HD1 TYR 23 13.846 2.926 -11.135 312 HD1 TYR 23 HD1 TYR 23 13.912 3.639 -10.008 313 HD2 TYR 23 HD2 TYR 23 11.324 6.351 -11.053 314 HD2 TYR 23 HD2 TYR 23 11.614 7.181 -10.537 315 HE1 TYR 23 HE1 TYR 23 15.552 4.143 -9.848 316 HE1 TYR 23 HE1 TYR 23 15.325 4.794 -8.360 317 HE2 TYR 23 HE2 TYR 23 13.024 7.579 -9.767 318 HE2 TYR 23 HE2 TYR 23 13.023 8.346 -8.890 319 HH TYR 23 HH TYR 23 15.802 7.232 -9.587 320 HH TYR 23 HH TYR 23 15.427 8.076 -8.004 321 H TYR 24 H TYR 24 11.467 1.293 -11.305 322 H TYR 24 H TYR 24 11.876 1.845 -10.674 323 HA TYR 24 HA TYR 24 11.218 0.743 -8.420 324 HA TYR 24 HA TYR 24 11.625 1.639 -7.745 325 HB2 TYR 24 HB2 TYR 24 11.138 -1.069 -10.808 326 HB2 TYR 24 HB2 TYR 24 11.955 -0.628 -9.720 327 HB3 TYR 24 HB3 TYR 24 11.667 -1.695 -9.250 328 HB3 TYR 24 HB3 TYR 24 11.733 -0.782 -7.981 329 HD1 TYR 24 HD1 TYR 24 8.913 0.574 -10.386 330 HD1 TYR 24 HD1 TYR 24 9.541 -0.154 -6.963 331 HD2 TYR 24 HD2 TYR 24 10.020 -2.893 -8.182 332 HD2 TYR 24 HD2 TYR 24 10.102 -0.339 -11.177 333 HE1 TYR 24 HE1 TYR 24 6.566 0.251 -9.727 334 HE1 TYR 24 HE1 TYR 24 7.103 -0.239 -7.279 335 HE2 TYR 24 HE2 TYR 24 7.675 -3.227 -7.518 336 HE2 TYR 24 HE2 TYR 24 7.666 -0.422 -11.504 337 HH TYR 24 HH TYR 24 5.335 -0.889 -7.802 338 HH TYR 24 HH TYR 24 5.677 -0.768 -10.448 339 H PHE 25 H PHE 25 13.041 0.754 -7.296 340 H PHE 25 H PHE 25 13.422 0.682 -6.610 341 HA PHE 25 HA PHE 25 15.570 0.205 -8.700 342 HA PHE 25 HA PHE 25 15.981 0.858 -8.050 343 HB2 PHE 25 HB2 PHE 25 15.698 2.518 -8.364 344 HB2 PHE 25 HB2 PHE 25 15.291 2.824 -6.423 345 HB3 PHE 25 HB3 PHE 25 14.891 2.430 -6.801 346 HB3 PHE 25 HB3 PHE 25 15.835 1.696 -5.185 347 HD1 PHE 25 HD1 PHE 25 16.109 1.975 -4.799 348 HD1 PHE 25 HD1 PHE 25 17.991 1.963 -4.479 349 HD2 PHE 25 HD2 PHE 25 18.058 1.910 -8.582 350 HD2 PHE 25 HD2 PHE 25 17.018 2.918 -8.511 351 HE1 PHE 25 HE1 PHE 25 18.295 1.971 -3.669 352 HE1 PHE 25 HE1 PHE 25 20.320 2.651 -4.874 353 HE2 PHE 25 HE2 PHE 25 20.246 1.905 -7.458 354 HE2 PHE 25 HE2 PHE 25 19.346 3.605 -8.913 355 HZ PHE 25 HZ PHE 25 20.367 1.936 -4.999 356 HZ PHE 25 HZ PHE 25 21.001 3.472 -7.093 357 H ASN 26 H ASN 26 16.454 -1.584 -7.927 358 H ASN 26 H ASN 26 17.372 -0.772 -7.697 359 HA ASN 26 HA ASN 26 15.792 -2.497 -5.241 360 HA ASN 26 HA ASN 26 16.633 -2.752 -5.647 361 HB2 ASN 26 HB2 ASN 26 15.811 -3.975 -7.354 362 HB2 ASN 26 HB2 ASN 26 16.549 -3.440 -8.095 363 HB3 ASN 26 HB3 ASN 26 17.564 -3.945 -7.199 364 HB3 ASN 26 HB3 ASN 26 18.303 -3.285 -8.105 365 HD21 ASN 26 HD21 ASN 26 15.571 -6.125 -6.937 366 HD21 ASN 26 HD21 ASN 26 15.891 -5.433 -7.857 367 HD22 ASN 26 HD22 ASN 26 15.880 -6.835 -5.394 368 HD22 ASN 26 HD22 ASN 26 16.668 -6.667 -6.932 369 H HIS 27 H HIS 27 17.163 -2.520 -3.553 370 H HIS 27 H HIS 27 17.871 -2.473 -3.905 371 HA HIS 27 HA HIS 27 19.686 -1.122 -3.840 372 HA HIS 27 HA HIS 27 20.629 -1.581 -4.182 373 HB2 HIS 27 HB2 HIS 27 19.691 -0.912 -1.499 374 HB2 HIS 27 HB2 HIS 27 20.563 -1.553 -1.664 375 HB3 HIS 27 HB3 HIS 27 17.989 -0.795 -1.936 376 HB3 HIS 27 HB3 HIS 27 19.396 -0.490 -2.444 377 HD1 HIS 27 HD1 HIS 27 20.448 -3.383 -0.642 378 HD1 HIS 27 HD1 HIS 27 19.343 -4.104 -1.224 379 HD2 HIS 27 HD2 HIS 27 16.379 -2.542 -0.618 380 HD2 HIS 27 HD2 HIS 27 17.006 -0.671 -1.221 381 HE1 HIS 27 HE1 HIS 27 19.417 -5.092 0.887 382 HE1 HIS 27 HE1 HIS 27 17.254 -4.715 0.034 383 H ILE 28 H ILE 28 18.587 -4.344 -3.752 384 H ILE 28 H ILE 28 19.542 -4.351 -4.882 385 HA ILE 28 HA ILE 28 21.067 -5.454 -2.748 386 HA ILE 28 HA ILE 28 21.379 -5.918 -3.194 387 HB ILE 28 HB ILE 28 18.652 -6.825 -3.936 388 HB ILE 28 HB ILE 28 19.008 -6.885 -4.797 389 HG12 ILE 28 HG12 ILE 28 19.539 -6.353 -1.086 390 HG12 ILE 28 HG12 ILE 28 19.457 -6.387 -1.862 391 HG13 ILE 28 HG13 ILE 28 18.071 -5.765 -1.857 392 HG13 ILE 28 HG13 ILE 28 18.150 -5.803 -2.885 393 HG21 ILE 28 HG21 ILE 28 19.742 -8.763 -3.859 394 HG21 ILE 28 HG21 ILE 28 20.778 -8.445 -2.924 395 HG22 ILE 28 HG22 ILE 28 21.221 -7.829 -3.636 396 HG22 ILE 28 HG22 ILE 28 19.442 -9.064 -3.894 397 HG23 ILE 28 HG23 ILE 28 20.344 -8.438 -2.232 398 HG23 ILE 28 HG23 ILE 28 20.907 -8.483 -4.681 399 HD11 ILE 28 HD11 ILE 28 17.434 -7.556 -0.472 400 HD11 ILE 28 HD11 ILE 28 17.339 -8.140 -3.074 401 HD12 ILE 28 HD12 ILE 28 17.393 -8.176 -2.122 402 HD12 ILE 28 HD12 ILE 28 18.572 -8.613 -1.906 403 HD13 ILE 28 HD13 ILE 28 18.745 -8.578 -1.063 404 HD13 ILE 28 HD13 ILE 28 17.295 -7.491 -1.434 405 H THR 29 H THR 29 19.243 -5.706 -5.805 406 H THR 29 H THR 29 20.333 -5.286 -6.500 407 HA THR 29 HA THR 29 21.571 -6.728 -7.183 408 HA THR 29 HA THR 29 22.859 -6.462 -7.446 409 HB THR 29 HB THR 29 19.991 -6.517 -9.216 410 HB THR 29 HB THR 29 21.824 -7.446 -9.347 411 HG1 THR 29 HG1 THR 29 17.790 -6.353 -8.644 412 HG1 THR 29 HG1 THR 29 20.019 -6.662 -10.113 413 HG21 THR 29 HG21 THR 29 20.383 -8.678 -8.408 414 HG21 THR 29 HG21 THR 29 21.639 -8.823 -7.372 415 HG22 THR 29 HG22 THR 29 19.577 -8.351 -6.875 416 HG22 THR 29 HG22 THR 29 20.163 -7.991 -6.884 417 HG23 THR 29 HG23 THR 29 18.627 -8.522 -8.352 418 HG23 THR 29 HG23 THR 29 20.169 -9.000 -8.331 419 H ASN 30 H ASN 30 20.349 -3.683 -6.426 420 H ASN 30 H ASN 30 21.795 -3.671 -6.889 421 HA ASN 30 HA ASN 30 20.902 -1.568 -7.049 422 HA ASN 30 HA ASN 30 21.510 -1.645 -7.999 423 HB2 ASN 30 HB2 ASN 30 23.238 -2.911 -7.050 424 HB2 ASN 30 HB2 ASN 30 24.187 -2.688 -8.015 425 HB3 ASN 30 HB3 ASN 30 23.179 -2.431 -8.743 426 HB3 ASN 30 HB3 ASN 30 23.941 -1.690 -9.444 427 HD21 ASN 30 HD21 ASN 30 21.917 0.015 -8.524 428 HD21 ASN 30 HD21 ASN 30 22.168 0.177 -8.462 429 HD22 ASN 30 HD22 ASN 30 22.958 1.114 -7.691 430 HD22 ASN 30 HD22 ASN 30 22.960 1.137 -7.263 431 H ALA 31 H ALA 31 19.381 -3.496 -8.882 432 H ALA 31 H ALA 31 19.772 -2.200 -9.427 433 HA ALA 31 HA ALA 31 19.821 -2.243 -11.481 434 HA ALA 31 HA ALA 31 20.442 -1.785 -12.182 435 HB1 ALA 31 HB1 ALA 31 18.179 -3.888 -12.303 436 HB1 ALA 31 HB1 ALA 31 19.486 -3.829 -13.077 437 HB2 ALA 31 HB2 ALA 31 19.537 -4.645 -11.470 438 HB2 ALA 31 HB2 ALA 31 20.839 -4.201 -12.008 439 HB3 ALA 31 HB3 ALA 31 17.981 -4.485 -10.655 440 HB3 ALA 31 HB3 ALA 31 19.183 -4.425 -11.445 441 H SER 32 H SER 32 18.235 -1.087 -12.596 442 H SER 32 H SER 32 18.751 -0.937 -13.321 443 HA SER 32 HA SER 32 15.914 -0.223 -11.008 444 HA SER 32 HA SER 32 16.251 -0.566 -11.819 445 HB2 SER 32 HB2 SER 32 16.234 2.062 -11.648 446 HB2 SER 32 HB2 SER 32 16.630 1.104 -14.199 447 HB3 SER 32 HB3 SER 32 17.784 1.483 -11.037 448 HB3 SER 32 HB3 SER 32 16.194 1.568 -12.555 449 HG SER 32 HG SER 32 18.611 1.888 -12.916 450 HG SER 32 HG SER 32 18.176 2.175 -12.300 451 H GLN 33 H GLN 33 14.018 0.039 -12.105 452 H GLN 33 H GLN 33 14.244 -0.802 -12.853 453 HA GLN 33 HA GLN 33 13.893 0.178 -14.962 454 HA GLN 33 HA GLN 33 14.319 -2.272 -15.404 455 HB2 GLN 33 HB2 GLN 33 12.623 -1.950 -15.242 456 HB2 GLN 33 HB2 GLN 33 13.848 -3.852 -13.633 457 HB3 GLN 33 HB3 GLN 33 14.315 -2.184 -14.826 458 HB3 GLN 33 HB3 GLN 33 12.583 -2.813 -12.990 459 HG2 GLN 33 HG2 GLN 33 13.773 -2.752 -12.586 460 HG2 GLN 33 HG2 GLN 33 11.106 -3.863 -14.248 461 HG3 GLN 33 HG3 GLN 33 12.096 -2.253 -12.802 462 HG3 GLN 33 HG3 GLN 33 11.946 -3.296 -15.689 463 HE21 GLN 33 HE21 GLN 33 10.653 -3.658 -13.648 464 HE21 GLN 33 HE21 GLN 33 12.205 -5.804 -13.196 465 HE22 GLN 33 HE22 GLN 33 11.028 -5.284 -14.096 466 HE22 GLN 33 HE22 GLN 33 12.706 -7.062 -14.269 467 H PHE 34 H PHE 34 11.940 0.929 -15.667 468 H PHE 34 H PHE 34 12.391 -0.239 -13.239 469 HA PHE 34 HA PHE 34 10.155 1.957 -13.673 470 HA PHE 34 HA PHE 34 10.812 1.346 -13.651 471 HB2 PHE 34 HB2 PHE 34 10.031 2.005 -16.695 472 HB2 PHE 34 HB2 PHE 34 12.612 1.553 -15.777 473 HB3 PHE 34 HB3 PHE 34 8.894 2.843 -15.644 474 HB3 PHE 34 HB3 PHE 34 11.025 1.519 -16.539 475 HD1 PHE 34 HD1 PHE 34 12.495 2.615 -16.507 476 HD1 PHE 34 HD1 PHE 34 13.428 3.509 -14.836 477 HD2 PHE 34 HD2 PHE 34 9.367 4.980 -14.852 478 HD2 PHE 34 HD2 PHE 34 9.267 3.158 -15.661 479 HE1 PHE 34 HE1 PHE 34 14.007 4.554 -16.428 480 HE1 PHE 34 HE1 PHE 34 13.121 5.887 -14.286 481 HE2 PHE 34 HE2 PHE 34 10.874 6.923 -14.772 482 HE2 PHE 34 HE2 PHE 34 8.955 5.536 -15.113 483 HZ PHE 34 HZ PHE 34 13.198 6.712 -15.560 484 HZ PHE 34 HZ PHE 34 10.883 6.904 -14.424 485 H GLU 35 H GLU 35 10.022 -0.588 -16.117 486 H GLU 35 H GLU 35 10.113 -1.429 -13.704 487 HA GLU 35 HA GLU 35 7.327 -1.249 -15.942 488 HA GLU 35 HA GLU 35 7.593 -1.208 -15.148 489 HB2 GLU 35 HB2 GLU 35 9.794 -2.780 -16.663 490 HB2 GLU 35 HB2 GLU 35 9.746 -3.143 -15.793 491 HB3 GLU 35 HB3 GLU 35 8.271 -3.640 -16.493 492 HB3 GLU 35 HB3 GLU 35 8.110 -3.783 -15.735 493 HG2 GLU 35 HG2 GLU 35 9.006 -2.765 -18.815 494 HG2 GLU 35 HG2 GLU 35 7.382 -2.228 -17.412 495 HG3 GLU 35 HG3 GLU 35 7.324 -2.612 -18.313 496 HG3 GLU 35 HG3 GLU 35 8.947 -1.417 -17.394 497 H ARG 36 H ARG 36 6.136 -2.632 -14.669 498 H ARG 36 H ARG 36 5.915 -2.300 -14.193 499 HA ARG 36 HA ARG 36 7.041 -2.960 -11.974 500 HA ARG 36 HA ARG 36 5.917 -2.767 -11.497 501 HB2 ARG 36 HB2 ARG 36 4.697 -2.447 -12.494 502 HB2 ARG 36 HB2 ARG 36 3.869 -2.569 -12.819 503 HB3 ARG 36 HB3 ARG 36 4.542 -3.984 -13.335 504 HB3 ARG 36 HB3 ARG 36 4.191 -4.123 -13.575 505 HG2 ARG 36 HG2 ARG 36 5.092 -5.118 -11.169 506 HG2 ARG 36 HG2 ARG 36 2.539 -4.458 -11.903 507 HG3 ARG 36 HG3 ARG 36 4.973 -3.537 -10.394 508 HG3 ARG 36 HG3 ARG 36 4.044 -5.168 -11.314 509 HD2 ARG 36 HD2 ARG 36 2.664 -3.330 -11.167 510 HD2 ARG 36 HD2 ARG 36 4.459 -3.173 -9.965 511 HD3 ARG 36 HD3 ARG 36 2.784 -4.900 -11.959 512 HD3 ARG 36 HD3 ARG 36 2.965 -2.453 -10.564 513 HE ARG 36 HE ARG 36 3.428 -5.351 -9.325 514 HE ARG 36 HE ARG 36 3.227 -4.483 -8.536 515 HH11 ARG 36 HH11 ARG 36 0.695 -4.083 -11.069 516 HH11 ARG 36 HH11 ARG 36 1.115 -2.994 -10.870 517 HH12 ARG 36 HH12 ARG 36 -0.465 -4.618 -9.899 518 HH12 ARG 36 HH12 ARG 36 -0.337 -3.477 -10.057 519 HH21 ARG 36 HH21 ARG 36 1.910 -6.061 -7.778 520 HH21 ARG 36 HH21 ARG 36 1.323 -5.124 -7.457 521 HH22 ARG 36 HH22 ARG 36 0.227 -5.743 -8.028 522 HH22 ARG 36 HH22 ARG 36 -0.218 -4.688 -8.116 523 HA PRO 37 HA PRO 37 8.965 -6.914 -12.708 524 HA PRO 37 HA PRO 37 8.474 -6.478 -11.446 525 HB2 PRO 37 HB2 PRO 37 9.719 -7.330 -10.133 526 HB2 PRO 37 HB2 PRO 37 8.857 -6.443 -8.759 527 HB3 PRO 37 HB3 PRO 37 10.579 -6.233 -11.221 528 HB3 PRO 37 HB3 PRO 37 9.772 -5.420 -9.872 529 HG2 PRO 37 HG2 PRO 37 8.552 -5.604 -9.109 530 HG2 PRO 37 HG2 PRO 37 7.397 -4.731 -8.185 531 HG3 PRO 37 HG3 PRO 37 10.069 -4.769 -9.488 532 HG3 PRO 37 HG3 PRO 37 8.875 -3.794 -8.474 533 HD2 PRO 37 HD2 PRO 37 7.659 -3.855 -10.314 534 HD2 PRO 37 HD2 PRO 37 6.549 -3.277 -9.758 535 HD3 PRO 37 HD3 PRO 37 9.143 -3.622 -11.260 536 HD3 PRO 37 HD3 PRO 37 8.134 -3.016 -10.513 537 H SER 38 H SER 38 6.667 -7.662 -13.115 538 H SER 38 H SER 38 7.253 -8.246 -11.800 539 HA SER 38 HA SER 38 5.521 -9.081 -10.818 540 HA SER 38 HA SER 38 5.823 -9.395 -9.550 541 HB2 SER 38 HB2 SER 38 3.973 -7.643 -12.055 542 HB2 SER 38 HB2 SER 38 3.734 -9.704 -10.708 543 HB3 SER 38 HB3 SER 38 4.345 -8.504 -13.549 544 HB3 SER 38 HB3 SER 38 4.143 -7.990 -10.783 545 HG SER 38 HG SER 38 2.865 -9.872 -12.995 546 HG SER 38 HG SER 38 3.655 -8.437 -12.834 547 H GLY 39 H GLY 39 7.858 -10.180 -11.747 548 H GLY 39 H GLY 39 8.058 -10.463 -10.256 549 HA2 GLY 39 HA2 GLY 39 6.979 -12.492 -13.356 550 HA2 GLY 39 HA2 GLY 39 7.607 -12.478 -12.337 551 HA3 GLY 39 HA3 GLY 39 8.638 -11.927 -13.238 552 HA3 GLY 39 HA3 GLY 39 9.147 -12.105 -11.575 Start of MODEL 11 1 H1 SER 5 H SER 5 1.979 -0.478 0.506 2 H1 SER 5 H SER 5 1.366 1.023 0.100 3 HA SER 5 HA SER 5 0.858 0.013 -2.129 4 HA SER 5 HA SER 5 1.979 0.475 -2.035 5 HB2 SER 5 HB2 SER 5 2.234 1.842 -2.319 6 HB2 SER 5 HB2 SER 5 4.761 -0.252 -1.606 7 HB3 SER 5 HB3 SER 5 3.406 1.215 -1.160 8 HB3 SER 5 HB3 SER 5 4.077 1.006 -2.637 9 HG SER 5 HG SER 5 4.372 1.056 -3.125 10 HG SER 5 HG SER 5 5.255 2.060 -1.114 11 H LYS 6 H LYS 6 0.555 -2.125 -2.508 12 H LYS 6 H LYS 6 3.168 -1.460 -3.218 13 HA LYS 6 HA LYS 6 2.144 -4.253 -1.766 14 HA LYS 6 HA LYS 6 2.986 -3.891 -1.590 15 HB2 LYS 6 HB2 LYS 6 1.123 -5.470 -3.686 16 HB2 LYS 6 HB2 LYS 6 1.757 -4.957 -3.568 17 HB3 LYS 6 HB3 LYS 6 -0.048 -4.620 -2.687 18 HB3 LYS 6 HB3 LYS 6 0.831 -3.882 -2.527 19 HG2 LYS 6 HG2 LYS 6 0.328 -2.717 -4.474 20 HG2 LYS 6 HG2 LYS 6 1.153 -2.066 -4.160 21 HG3 LYS 6 HG3 LYS 6 0.814 -4.085 -5.477 22 HG3 LYS 6 HG3 LYS 6 2.006 -3.196 -5.215 23 HD2 LYS 6 HD2 LYS 6 -1.478 -3.857 -5.885 24 HD2 LYS 6 HD2 LYS 6 -0.295 -2.985 -5.932 25 HD3 LYS 6 HD3 LYS 6 -1.376 -5.177 -4.717 26 HD3 LYS 6 HD3 LYS 6 -0.020 -4.606 -5.291 27 HE2 LYS 6 HE2 LYS 6 -3.165 -3.626 -4.135 28 HE2 LYS 6 HE2 LYS 6 -0.862 -2.787 -3.211 29 HE3 LYS 6 HE3 LYS 6 -1.901 -3.624 -2.908 30 HE3 LYS 6 HE3 LYS 6 -2.019 -2.808 -4.541 31 HZ1 LYS 6 HZ1 LYS 6 -2.900 -1.405 -3.888 32 HZ1 LYS 6 HZ1 LYS 6 -2.598 -4.932 -4.123 33 HZ2 LYS 6 HZ2 LYS 6 -1.280 -1.520 -3.415 34 HZ2 LYS 6 HZ2 LYS 6 -1.045 -5.397 -3.640 35 HZ3 LYS 6 HZ3 LYS 6 -1.695 -1.650 -5.050 36 HZ3 LYS 6 HZ3 LYS 6 -2.052 -4.569 -2.563 37 H LEU 7 H LEU 7 4.262 -4.453 -2.089 38 H LEU 7 H LEU 7 5.134 -4.361 -1.713 39 HA LEU 7 HA LEU 7 5.293 -4.459 -4.791 40 HA LEU 7 HA LEU 7 6.102 -5.286 -4.293 41 HB2 LEU 7 HB2 LEU 7 5.662 -2.209 -3.040 42 HB2 LEU 7 HB2 LEU 7 7.730 -3.356 -2.651 43 HB3 LEU 7 HB3 LEU 7 7.214 -2.968 -3.391 44 HB3 LEU 7 HB3 LEU 7 8.165 -4.062 -4.207 45 HG LEU 7 HG LEU 7 6.411 -2.798 -5.873 46 HG LEU 7 HG LEU 7 5.836 -2.187 -3.829 47 HD11 LEU 7 HD11 LEU 7 4.431 -1.202 -4.405 48 HD11 LEU 7 HD11 LEU 7 7.420 -0.641 -3.438 49 HD12 LEU 7 HD12 LEU 7 5.161 -0.396 -5.793 50 HD12 LEU 7 HD12 LEU 7 8.716 -1.652 -4.079 51 HD13 LEU 7 HD13 LEU 7 4.340 -1.942 -6.003 52 HD13 LEU 7 HD13 LEU 7 7.679 -0.745 -5.180 53 HD21 LEU 7 HD21 LEU 7 7.234 -0.321 -5.799 54 HD21 LEU 7 HD21 LEU 7 6.170 -3.857 -5.844 55 HD22 LEU 7 HD22 LEU 7 7.555 -0.683 -4.104 56 HD22 LEU 7 HD22 LEU 7 5.603 -2.207 -6.103 57 HD23 LEU 7 HD23 LEU 7 8.331 -1.633 -5.371 58 HD23 LEU 7 HD23 LEU 7 7.295 -2.612 -6.387 59 HA PRO 8 HA PRO 8 7.837 -7.652 -3.177 60 HA PRO 8 HA PRO 8 7.888 -8.476 -1.860 61 HB2 PRO 8 HB2 PRO 8 9.979 -7.492 -4.839 62 HB2 PRO 8 HB2 PRO 8 9.994 -9.188 -3.418 63 HB3 PRO 8 HB3 PRO 8 8.410 -8.124 -5.352 64 HB3 PRO 8 HB3 PRO 8 8.319 -9.568 -3.835 65 HG2 PRO 8 HG2 PRO 8 9.585 -5.403 -5.772 66 HG2 PRO 8 HG2 PRO 8 10.062 -7.348 -4.833 67 HG3 PRO 8 HG3 PRO 8 8.693 -6.425 -6.914 68 HG3 PRO 8 HG3 PRO 8 8.955 -8.395 -5.740 69 HD2 PRO 8 HD2 PRO 8 7.538 -4.358 -5.599 70 HD2 PRO 8 HD2 PRO 8 8.298 -5.875 -5.000 71 HD3 PRO 8 HD3 PRO 8 6.644 -5.826 -6.043 72 HD3 PRO 8 HD3 PRO 8 7.098 -7.176 -5.125 73 HA PRO 9 HA PRO 9 10.708 -5.912 -0.320 74 HA PRO 9 HA PRO 9 11.279 -7.105 0.580 75 HB2 PRO 9 HB2 PRO 9 12.187 -8.118 0.242 76 HB2 PRO 9 HB2 PRO 9 12.738 -9.360 0.974 77 HB3 PRO 9 HB3 PRO 9 10.538 -7.891 0.836 78 HB3 PRO 9 HB3 PRO 9 11.167 -9.089 1.734 79 HG2 PRO 9 HG2 PRO 9 11.506 -9.490 -1.502 80 HG2 PRO 9 HG2 PRO 9 11.841 -10.695 -0.700 81 HG3 PRO 9 HG3 PRO 9 10.292 -9.915 -0.281 82 HG3 PRO 9 HG3 PRO 9 10.744 -11.094 0.635 83 HD2 PRO 9 HD2 PRO 9 9.626 -9.029 -2.752 84 HD2 PRO 9 HD2 PRO 9 9.859 -10.164 -1.750 85 HD3 PRO 9 HD3 PRO 9 8.639 -8.687 -1.317 86 HD3 PRO 9 HD3 PRO 9 9.034 -9.806 -0.219 87 H GLY 10 H GLY 10 12.591 -4.829 -0.452 88 H GLY 10 H GLY 10 12.700 -5.738 -0.338 89 HA2 GLY 10 HA2 GLY 10 14.917 -4.668 -0.982 90 HA2 GLY 10 HA2 GLY 10 15.144 -5.748 -0.911 91 HA3 GLY 10 HA3 GLY 10 14.662 -5.811 -2.292 92 HA3 GLY 10 HA3 GLY 10 14.707 -6.880 -2.184 93 H TRP 11 H TRP 11 12.248 -4.414 -3.229 94 H TRP 11 H TRP 11 12.174 -5.347 -2.668 95 HA TRP 11 HA TRP 11 13.608 -2.430 -4.846 96 HA TRP 11 HA TRP 11 13.366 -3.376 -4.458 97 HB2 TRP 11 HB2 TRP 11 10.793 -3.529 -4.940 98 HB2 TRP 11 HB2 TRP 11 10.651 -4.667 -4.290 99 HB3 TRP 11 HB3 TRP 11 11.426 -2.337 -6.072 100 HB3 TRP 11 HB3 TRP 11 10.934 -3.255 -5.305 101 HD1 TRP 11 HD1 TRP 11 11.631 -6.044 -5.200 102 HD1 TRP 11 HD1 TRP 11 11.909 -6.956 -4.997 103 HE1 TRP 11 HE1 TRP 11 12.812 -7.285 -7.121 104 HE1 TRP 11 HE1 TRP 11 12.805 -7.755 -7.273 105 HE3 TRP 11 HE3 TRP 11 13.158 -2.014 -7.950 106 HE3 TRP 11 HE3 TRP 11 12.007 -2.472 -7.448 107 HZ2 TRP 11 HZ2 TRP 11 14.206 -6.639 -9.490 108 HZ2 TRP 11 HZ2 TRP 11 13.468 -6.632 -9.777 109 HZ3 TRP 11 HZ3 TRP 11 14.411 -2.412 -10.030 110 HZ3 TRP 11 HZ3 TRP 11 12.786 -2.420 -9.781 111 HH2 TRP 11 HH2 TRP 11 14.923 -4.677 -10.782 112 HH2 TRP 11 HH2 TRP 11 13.501 -4.457 -10.920 113 H GLU 12 H GLU 12 12.935 -0.262 -5.078 114 H GLU 12 H GLU 12 12.875 -1.204 -4.447 115 HA GLU 12 HA GLU 12 11.172 0.767 -2.966 116 HA GLU 12 HA GLU 12 11.140 -0.208 -2.302 117 HB2 GLU 12 HB2 GLU 12 13.885 1.881 -3.697 118 HB2 GLU 12 HB2 GLU 12 13.373 -0.101 -1.380 119 HB3 GLU 12 HB3 GLU 12 12.734 2.666 -2.625 120 HB3 GLU 12 HB3 GLU 12 13.976 0.692 -2.829 121 HG2 GLU 12 HG2 GLU 12 13.518 -0.113 -1.978 122 HG2 GLU 12 HG2 GLU 12 12.385 2.579 -2.309 123 HG3 GLU 12 HG3 GLU 12 14.719 1.154 -1.732 124 HG3 GLU 12 HG3 GLU 12 12.126 1.810 -0.745 125 H LYS 13 H LYS 13 9.803 2.342 -3.595 126 H LYS 13 H LYS 13 9.686 1.123 -3.130 127 HA LYS 13 HA LYS 13 9.936 3.172 -6.405 128 HA LYS 13 HA LYS 13 9.919 2.146 -5.792 129 HB2 LYS 13 HB2 LYS 13 7.869 2.043 -5.377 130 HB2 LYS 13 HB2 LYS 13 7.758 1.451 -4.801 131 HB3 LYS 13 HB3 LYS 13 7.594 3.574 -4.557 132 HB3 LYS 13 HB3 LYS 13 7.869 2.786 -3.660 133 HG2 LYS 13 HG2 LYS 13 7.501 4.705 -6.735 134 HG2 LYS 13 HG2 LYS 13 7.978 4.303 -5.704 135 HG3 LYS 13 HG3 LYS 13 7.721 3.148 -7.535 136 HG3 LYS 13 HG3 LYS 13 7.454 2.894 -6.628 137 HD2 LYS 13 HD2 LYS 13 5.513 2.880 -7.488 138 HD2 LYS 13 HD2 LYS 13 5.658 2.853 -4.610 139 HD3 LYS 13 HD3 LYS 13 5.609 2.788 -5.727 140 HD3 LYS 13 HD3 LYS 13 5.959 4.588 -4.733 141 HE2 LYS 13 HE2 LYS 13 5.539 5.446 -7.097 142 HE2 LYS 13 HE2 LYS 13 5.150 4.706 -6.898 143 HE3 LYS 13 HE3 LYS 13 4.047 4.541 -6.846 144 HE3 LYS 13 HE3 LYS 13 5.432 2.993 -7.204 145 HZ1 LYS 13 HZ1 LYS 13 5.935 5.163 -4.647 146 HZ1 LYS 13 HZ1 LYS 13 3.411 3.916 -5.250 147 HZ2 LYS 13 HZ2 LYS 13 4.645 6.177 -5.062 148 HZ2 LYS 13 HZ2 LYS 13 3.045 3.731 -6.892 149 HZ3 LYS 13 HZ3 LYS 13 4.343 4.603 -4.522 150 HZ3 LYS 13 HZ3 LYS 13 3.548 2.396 -5.982 151 H ARG 14 H ARG 14 10.236 5.241 -6.992 152 H ARG 14 H ARG 14 10.787 4.004 -6.427 153 HA ARG 14 HA ARG 14 10.058 7.327 -4.931 154 HA ARG 14 HA ARG 14 11.069 6.175 -4.459 155 HB2 ARG 14 HB2 ARG 14 12.321 7.085 -6.921 156 HB2 ARG 14 HB2 ARG 14 13.118 4.937 -6.233 157 HB3 ARG 14 HB3 ARG 14 12.137 8.329 -5.692 158 HB3 ARG 14 HB3 ARG 14 13.201 6.674 -5.971 159 HG2 ARG 14 HG2 ARG 14 12.179 5.522 -4.760 160 HG2 ARG 14 HG2 ARG 14 12.837 5.534 -3.438 161 HG3 ARG 14 HG3 ARG 14 13.693 6.195 -5.370 162 HG3 ARG 14 HG3 ARG 14 14.038 4.536 -4.261 163 HD2 ARG 14 HD2 ARG 14 11.975 7.368 -3.185 164 HD2 ARG 14 HD2 ARG 14 15.567 6.080 -3.804 165 HD3 ARG 14 HD3 ARG 14 13.497 6.507 -2.959 166 HD3 ARG 14 HD3 ARG 14 14.696 7.201 -4.850 167 HE ARG 14 HE ARG 14 14.055 8.592 -4.671 168 HE ARG 14 HE ARG 14 14.704 7.158 -1.963 169 HH11 ARG 14 HH11 ARG 14 12.825 8.228 -1.435 170 HH11 ARG 14 HH11 ARG 14 13.087 8.255 -4.844 171 HH12 ARG 14 HH12 ARG 14 13.466 9.740 -0.881 172 HH12 ARG 14 HH12 ARG 14 12.286 9.571 -4.050 173 HH21 ARG 14 HH21 ARG 14 14.905 10.583 -3.954 174 HH21 ARG 14 HH21 ARG 14 13.654 8.886 -0.906 175 HH22 ARG 14 HH22 ARG 14 14.648 11.079 -2.315 176 HH22 ARG 14 HH22 ARG 14 12.609 9.929 -1.810 177 H MET 15 H MET 15 10.301 9.568 -6.037 178 H MET 15 H MET 15 11.285 8.328 -5.421 179 HA MET 15 HA MET 15 8.663 9.529 -8.486 180 HA MET 15 HA MET 15 9.964 8.504 -8.049 181 HB2 MET 15 HB2 MET 15 8.498 11.089 -6.004 182 HB2 MET 15 HB2 MET 15 9.289 9.736 -5.472 183 HB3 MET 15 HB3 MET 15 8.365 12.058 -7.465 184 HB3 MET 15 HB3 MET 15 9.330 10.869 -6.816 185 HG2 MET 15 HG2 MET 15 6.186 11.343 -6.610 186 HG2 MET 15 HG2 MET 15 7.901 8.914 -7.946 187 HG3 MET 15 HG3 MET 15 6.507 10.731 -8.230 188 HG3 MET 15 HG3 MET 15 7.470 8.649 -6.258 189 HE1 MET 15 HE1 MET 15 4.483 9.471 -7.817 190 HE1 MET 15 HE1 MET 15 5.280 8.793 -6.939 191 HE2 MET 15 HE2 MET 15 4.532 7.789 -7.290 192 HE2 MET 15 HE2 MET 15 4.404 10.244 -6.449 193 HE3 MET 15 HE3 MET 15 4.150 9.063 -6.134 194 HE3 MET 15 HE3 MET 15 4.699 9.927 -8.159 195 H SER 16 H SER 16 11.558 9.390 -8.398 196 H SER 16 H SER 16 10.947 9.709 -9.551 197 HA SER 16 HA SER 16 13.421 10.354 -9.294 198 HA SER 16 HA SER 16 13.559 10.672 -9.174 199 HB2 SER 16 HB2 SER 16 11.300 10.597 -11.119 200 HB2 SER 16 HB2 SER 16 11.813 11.701 -11.388 201 HB3 SER 16 HB3 SER 16 12.124 12.156 -11.147 202 HB3 SER 16 HB3 SER 16 13.521 11.265 -11.428 203 HG SER 16 HG SER 16 12.903 9.819 -12.210 204 HG SER 16 HG SER 16 11.329 9.724 -11.885 205 H ARG 17 H ARG 17 14.018 12.806 -10.333 206 H ARG 17 H ARG 17 13.624 13.144 -10.463 207 HA ARG 17 HA ARG 17 14.362 14.380 -8.019 208 HA ARG 17 HA ARG 17 13.259 14.904 -8.290 209 HB2 ARG 17 HB2 ARG 17 15.967 14.502 -9.813 210 HB2 ARG 17 HB2 ARG 17 13.878 16.679 -9.881 211 HB3 ARG 17 HB3 ARG 17 14.730 15.038 -10.942 212 HB3 ARG 17 HB3 ARG 17 14.964 15.300 -9.980 213 HG2 ARG 17 HG2 ARG 17 14.739 16.851 -8.771 214 HG2 ARG 17 HG2 ARG 17 14.415 14.862 -12.104 215 HG3 ARG 17 HG3 ARG 17 16.413 16.595 -9.269 216 HG3 ARG 17 HG3 ARG 17 12.700 15.179 -11.829 217 HD2 ARG 17 HD2 ARG 17 14.108 17.459 -11.009 218 HD2 ARG 17 HD2 ARG 17 13.520 16.813 -13.370 219 HD3 ARG 17 HD3 ARG 17 15.491 18.437 -10.515 220 HD3 ARG 17 HD3 ARG 17 13.223 17.615 -11.828 221 HE ARG 17 HE ARG 17 16.232 16.067 -11.951 222 HE ARG 17 HE ARG 17 15.467 18.050 -11.657 223 HH11 ARG 17 HH11 ARG 17 15.190 19.375 -12.259 224 HH11 ARG 17 HH11 ARG 17 14.939 15.673 -14.146 225 HH12 ARG 17 HH12 ARG 17 15.884 19.583 -13.833 226 HH12 ARG 17 HH12 ARG 17 16.575 15.715 -14.715 227 HH21 ARG 17 HH21 ARG 17 17.151 16.329 -14.023 228 HH21 ARG 17 HH21 ARG 17 17.624 18.114 -12.398 229 HH22 ARG 17 HH22 ARG 17 16.998 17.850 -14.836 230 HH22 ARG 17 HH22 ARG 17 18.101 17.104 -13.720 231 H ASN 18 H ASN 18 12.943 15.727 -10.963 232 H ASN 18 H ASN 18 12.264 17.070 -10.231 233 HA ASN 18 HA ASN 18 10.636 16.660 -9.407 234 HA ASN 18 HA ASN 18 9.494 16.871 -9.433 235 HB2 ASN 18 HB2 ASN 18 12.629 18.369 -9.793 236 HB2 ASN 18 HB2 ASN 18 10.693 19.050 -11.137 237 HB3 ASN 18 HB3 ASN 18 11.864 18.544 -11.371 238 HB3 ASN 18 HB3 ASN 18 9.294 19.143 -10.071 239 HD21 ASN 18 HD21 ASN 18 10.597 20.238 -11.439 240 HD21 ASN 18 HD21 ASN 18 9.715 18.874 -7.754 241 HD22 ASN 18 HD22 ASN 18 9.582 20.810 -10.163 242 HD22 ASN 18 HD22 ASN 18 11.191 19.497 -7.109 243 H SER 19 H SER 19 11.001 14.551 -11.413 244 H SER 19 H SER 19 10.797 15.172 -11.625 245 HA SER 19 HA SER 19 9.282 15.608 -13.561 246 HA SER 19 HA SER 19 9.310 15.942 -13.990 247 HB2 SER 19 HB2 SER 19 10.220 14.068 -15.068 248 HB2 SER 19 HB2 SER 19 10.321 13.870 -14.965 249 HB3 SER 19 HB3 SER 19 11.604 14.614 -14.121 250 HB3 SER 19 HB3 SER 19 11.513 15.006 -14.333 251 HG SER 19 HG SER 19 11.781 12.689 -13.246 252 HG SER 19 HG SER 19 12.180 13.238 -13.363 253 H GLY 20 H GLY 20 8.970 14.118 -10.754 254 H GLY 20 H GLY 20 9.078 13.633 -11.373 255 HA2 GLY 20 HA2 GLY 20 7.551 12.538 -9.849 256 HA2 GLY 20 HA2 GLY 20 7.115 12.586 -10.647 257 HA3 GLY 20 HA3 GLY 20 6.421 13.202 -11.020 258 HA3 GLY 20 HA3 GLY 20 6.338 13.049 -12.154 259 H ARG 21 H ARG 21 9.347 11.473 -11.886 260 H ARG 21 H ARG 21 9.008 11.864 -13.353 261 HA ARG 21 HA ARG 21 7.728 9.523 -13.315 262 HA ARG 21 HA ARG 21 7.961 9.529 -14.372 263 HB2 ARG 21 HB2 ARG 21 10.667 10.183 -13.316 264 HB2 ARG 21 HB2 ARG 21 10.257 10.900 -14.767 265 HB3 ARG 21 HB3 ARG 21 10.034 8.761 -14.134 266 HB3 ARG 21 HB3 ARG 21 10.880 9.509 -13.890 267 HG2 ARG 21 HG2 ARG 21 9.185 11.594 -14.698 268 HG2 ARG 21 HG2 ARG 21 11.063 8.844 -16.090 269 HG3 ARG 21 HG3 ARG 21 10.359 10.676 -15.642 270 HG3 ARG 21 HG3 ARG 21 9.528 8.122 -15.600 271 HD2 ARG 21 HD2 ARG 21 7.423 10.112 -15.285 272 HD2 ARG 21 HD2 ARG 21 8.386 10.143 -16.549 273 HD3 ARG 21 HD3 ARG 21 8.270 10.532 -16.774 274 HD3 ARG 21 HD3 ARG 21 9.947 10.640 -17.200 275 HE ARG 21 HE ARG 21 8.117 7.934 -15.531 276 HE ARG 21 HE ARG 21 9.688 8.149 -18.171 277 HH11 ARG 21 HH11 ARG 21 9.843 9.976 -17.760 278 HH11 ARG 21 HH11 ARG 21 7.533 10.882 -18.131 279 HH12 ARG 21 HH12 ARG 21 10.534 8.654 -18.640 280 HH12 ARG 21 HH12 ARG 21 6.744 10.448 -19.611 281 HH21 ARG 21 HH21 ARG 21 9.021 6.183 -16.682 282 HH21 ARG 21 HH21 ARG 21 8.657 7.566 -20.121 283 HH22 ARG 21 HH22 ARG 21 10.065 6.497 -18.026 284 HH22 ARG 21 HH22 ARG 21 7.383 8.560 -20.741 285 H VAL 22 H VAL 22 7.145 7.700 -12.355 286 H VAL 22 H VAL 22 7.093 7.982 -13.125 287 HA VAL 22 HA VAL 22 8.526 6.749 -9.997 288 HA VAL 22 HA VAL 22 8.213 7.210 -10.601 289 HB VAL 22 HB VAL 22 6.016 5.942 -11.420 290 HB VAL 22 HB VAL 22 6.026 5.927 -12.244 291 HG11 VAL 22 HG11 VAL 22 5.803 4.122 -9.677 292 HG11 VAL 22 HG11 VAL 22 5.426 4.746 -10.183 293 HG12 VAL 22 HG12 VAL 22 6.956 3.817 -10.978 294 HG12 VAL 22 HG12 VAL 22 7.047 4.315 -10.728 295 HG13 VAL 22 HG13 VAL 22 7.531 4.322 -9.388 296 HG13 VAL 22 HG13 VAL 22 6.839 5.434 -9.380 297 HG21 VAL 22 HG21 VAL 22 4.954 6.502 -9.382 298 HG21 VAL 22 HG21 VAL 22 4.546 7.315 -11.269 299 HG22 VAL 22 HG22 VAL 22 6.483 6.515 -8.504 300 HG22 VAL 22 HG22 VAL 22 5.394 7.300 -9.723 301 HG23 VAL 22 HG23 VAL 22 6.133 7.779 -9.681 302 HG23 VAL 22 HG23 VAL 22 5.954 8.348 -11.026 303 H TYR 23 H TYR 23 9.733 4.914 -9.811 304 H TYR 23 H TYR 23 9.265 5.315 -10.063 305 HA TYR 23 HA TYR 23 10.011 3.122 -12.087 306 HA TYR 23 HA TYR 23 9.782 3.248 -11.973 307 HB2 TYR 23 HB2 TYR 23 12.502 3.316 -12.031 308 HB2 TYR 23 HB2 TYR 23 12.086 3.572 -12.363 309 HB3 TYR 23 HB3 TYR 23 11.692 4.767 -12.609 310 HB3 TYR 23 HB3 TYR 23 11.360 5.154 -12.620 311 HD1 TYR 23 HD1 TYR 23 13.090 3.284 -9.481 312 HD1 TYR 23 HD1 TYR 23 14.062 3.535 -11.186 313 HD2 TYR 23 HD2 TYR 23 12.273 6.820 -11.701 314 HD2 TYR 23 HD2 TYR 23 11.235 6.598 -10.333 315 HE1 TYR 23 HE1 TYR 23 14.284 4.613 -7.791 316 HE1 TYR 23 HE1 TYR 23 15.619 4.507 -9.548 317 HE2 TYR 23 HE2 TYR 23 13.466 8.159 -10.017 318 HE2 TYR 23 HE2 TYR 23 12.784 7.579 -8.694 319 HH TYR 23 HH TYR 23 15.346 7.675 -8.275 320 HH TYR 23 HH TYR 23 15.925 7.011 -8.563 321 H TYR 24 H TYR 24 11.649 1.332 -11.498 322 H TYR 24 H TYR 24 11.836 1.923 -10.988 323 HA TYR 24 HA TYR 24 11.227 0.607 -8.673 324 HA TYR 24 HA TYR 24 11.398 1.732 -8.084 325 HB2 TYR 24 HB2 TYR 24 11.094 -0.999 -11.193 326 HB2 TYR 24 HB2 TYR 24 11.564 -0.569 -10.041 327 HB3 TYR 24 HB3 TYR 24 11.580 -1.794 -9.700 328 HB3 TYR 24 HB3 TYR 24 11.508 -0.735 -8.290 329 HD1 TYR 24 HD1 TYR 24 9.974 -2.461 -8.118 330 HD1 TYR 24 HD1 TYR 24 9.586 -0.566 -11.265 331 HD2 TYR 24 HD2 TYR 24 8.852 0.193 -11.249 332 HD2 TYR 24 HD2 TYR 24 9.444 0.298 -7.101 333 HE1 TYR 24 HE1 TYR 24 7.613 -2.718 -7.481 334 HE1 TYR 24 HE1 TYR 24 7.128 -0.580 -11.351 335 HE2 TYR 24 HE2 TYR 24 6.487 -0.056 -10.619 336 HE2 TYR 24 HE2 TYR 24 6.986 0.285 -7.175 337 HH TYR 24 HH TYR 24 5.092 -0.772 -8.948 338 HH TYR 24 HH TYR 24 5.243 -0.190 -10.228 339 H PHE 25 H PHE 25 13.032 0.715 -7.530 340 H PHE 25 H PHE 25 13.156 1.095 -6.844 341 HA PHE 25 HA PHE 25 15.563 -0.072 -8.818 342 HA PHE 25 HA PHE 25 15.715 0.783 -8.256 343 HB2 PHE 25 HB2 PHE 25 15.331 2.386 -8.253 344 HB2 PHE 25 HB2 PHE 25 15.529 3.106 -7.463 345 HB3 PHE 25 HB3 PHE 25 15.307 1.913 -6.558 346 HB3 PHE 25 HB3 PHE 25 15.243 2.523 -5.826 347 HD1 PHE 25 HD1 PHE 25 17.291 1.923 -5.405 348 HD1 PHE 25 HD1 PHE 25 17.025 2.037 -4.397 349 HD2 PHE 25 HD2 PHE 25 17.362 1.393 -9.627 350 HD2 PHE 25 HD2 PHE 25 17.745 2.581 -8.556 351 HE1 PHE 25 HE1 PHE 25 19.750 1.948 -5.363 352 HE1 PHE 25 HE1 PHE 25 19.448 2.030 -3.973 353 HE2 PHE 25 HE2 PHE 25 19.822 1.416 -9.591 354 HE2 PHE 25 HE2 PHE 25 20.171 2.574 -8.140 355 HZ PHE 25 HZ PHE 25 21.020 1.692 -7.458 356 HZ PHE 25 HZ PHE 25 21.024 2.297 -5.847 357 H ASN 26 H ASN 26 16.663 -1.680 -7.890 358 H ASN 26 H ASN 26 17.157 -0.634 -7.359 359 HA ASN 26 HA ASN 26 15.692 -2.699 -5.316 360 HA ASN 26 HA ASN 26 16.257 -2.052 -4.937 361 HB2 ASN 26 HB2 ASN 26 15.771 -4.179 -7.393 362 HB2 ASN 26 HB2 ASN 26 16.289 -3.207 -7.332 363 HB3 ASN 26 HB3 ASN 26 17.524 -4.134 -7.236 364 HB3 ASN 26 HB3 ASN 26 17.991 -3.430 -6.935 365 HD21 ASN 26 HD21 ASN 26 15.618 -6.360 -7.022 366 HD21 ASN 26 HD21 ASN 26 14.709 -4.120 -5.935 367 HD22 ASN 26 HD22 ASN 26 15.907 -7.071 -5.474 368 HD22 ASN 26 HD22 ASN 26 15.093 -5.493 -4.959 369 H HIS 27 H HIS 27 16.835 -2.250 -3.565 370 H HIS 27 H HIS 27 18.124 -3.295 -3.890 371 HA HIS 27 HA HIS 27 19.456 -1.115 -3.712 372 HA HIS 27 HA HIS 27 20.644 -1.800 -4.072 373 HB2 HIS 27 HB2 HIS 27 19.265 -0.723 -1.420 374 HB2 HIS 27 HB2 HIS 27 20.742 -1.935 -1.524 375 HB3 HIS 27 HB3 HIS 27 17.589 -0.685 -1.960 376 HB3 HIS 27 HB3 HIS 27 19.625 -0.759 -2.210 377 HD1 HIS 27 HD1 HIS 27 16.035 -2.542 -1.126 378 HD1 HIS 27 HD1 HIS 27 19.773 -3.748 -0.061 379 HD2 HIS 27 HD2 HIS 27 19.964 -2.954 0.161 380 HD2 HIS 27 HD2 HIS 27 16.863 -1.502 -1.996 381 HE1 HIS 27 HE1 HIS 27 15.976 -4.317 0.653 382 HE1 HIS 27 HE1 HIS 27 17.589 -4.442 0.973 383 H ILE 28 H ILE 28 18.244 -4.292 -3.545 384 H ILE 28 H ILE 28 19.838 -4.434 -5.030 385 HA ILE 28 HA ILE 28 20.620 -5.412 -2.309 386 HA ILE 28 HA ILE 28 21.602 -6.121 -3.377 387 HB ILE 28 HB ILE 28 18.195 -6.750 -3.511 388 HB ILE 28 HB ILE 28 19.350 -7.004 -5.187 389 HG12 ILE 28 HG12 ILE 28 19.060 -6.262 -0.654 390 HG12 ILE 28 HG12 ILE 28 19.617 -6.730 -2.204 391 HG13 ILE 28 HG13 ILE 28 17.671 -5.554 -1.470 392 HG13 ILE 28 HG13 ILE 28 18.334 -6.135 -3.252 393 HG21 ILE 28 HG21 ILE 28 19.269 -8.691 -3.439 394 HG21 ILE 28 HG21 ILE 28 21.309 -8.544 -5.087 395 HG22 ILE 28 HG22 ILE 28 20.748 -7.833 -3.006 396 HG22 ILE 28 HG22 ILE 28 21.049 -8.678 -3.348 397 HG23 ILE 28 HG23 ILE 28 19.674 -8.435 -1.742 398 HG23 ILE 28 HG23 ILE 28 19.810 -9.240 -4.470 399 HD11 ILE 28 HD11 ILE 28 16.800 -7.915 -1.728 400 HD11 ILE 28 HD11 ILE 28 18.850 -8.976 -2.424 401 HD12 ILE 28 HD12 ILE 28 18.062 -8.392 -0.591 402 HD12 ILE 28 HD12 ILE 28 17.474 -7.958 -2.001 403 HD13 ILE 28 HD13 ILE 28 16.815 -7.248 -0.096 404 HD13 ILE 28 HD13 ILE 28 17.686 -8.509 -3.663 405 H THR 29 H THR 29 18.953 -5.828 -5.436 406 H THR 29 H THR 29 20.618 -5.335 -6.687 407 HA THR 29 HA THR 29 21.306 -7.022 -6.612 408 HA THR 29 HA THR 29 23.289 -6.162 -7.594 409 HB THR 29 HB THR 29 19.849 -6.870 -8.744 410 HB THR 29 HB THR 29 22.454 -7.248 -9.538 411 HG1 THR 29 HG1 THR 29 17.741 -6.367 -8.450 412 HG1 THR 29 HG1 THR 29 19.783 -6.694 -8.753 413 HG21 THR 29 HG21 THR 29 18.361 -8.767 -7.843 414 HG21 THR 29 HG21 THR 29 21.017 -9.044 -8.589 415 HG22 THR 29 HG22 THR 29 20.110 -8.993 -7.789 416 HG22 THR 29 HG22 THR 29 22.429 -8.680 -7.596 417 HG23 THR 29 HG23 THR 29 19.234 -8.542 -6.326 418 HG23 THR 29 HG23 THR 29 20.841 -8.078 -7.124 419 H ASN 30 H ASN 30 20.210 -3.886 -6.105 420 H ASN 30 H ASN 30 22.007 -3.550 -6.989 421 HA ASN 30 HA ASN 30 20.908 -1.842 -6.818 422 HA ASN 30 HA ASN 30 21.536 -1.513 -7.980 423 HB2 ASN 30 HB2 ASN 30 23.164 -3.307 -6.651 424 HB2 ASN 30 HB2 ASN 30 24.226 -2.322 -8.220 425 HB3 ASN 30 HB3 ASN 30 23.195 -2.922 -8.369 426 HB3 ASN 30 HB3 ASN 30 23.815 -1.538 -9.742 427 HD21 ASN 30 HD21 ASN 30 22.057 -0.403 -8.328 428 HD21 ASN 30 HD21 ASN 30 21.959 0.315 -8.804 429 HD22 ASN 30 HD22 ASN 30 23.128 0.685 -7.519 430 HD22 ASN 30 HD22 ASN 30 22.787 1.479 -7.831 431 H ALA 31 H ALA 31 19.387 -3.830 -8.619 432 H ALA 31 H ALA 31 19.663 -2.074 -9.193 433 HA ALA 31 HA ALA 31 19.983 -2.750 -11.258 434 HA ALA 31 HA ALA 31 20.010 -1.674 -12.027 435 HB1 ALA 31 HB1 ALA 31 17.939 -4.798 -10.404 436 HB1 ALA 31 HB1 ALA 31 20.292 -4.113 -11.817 437 HB2 ALA 31 HB2 ALA 31 18.321 -4.352 -12.067 438 HB2 ALA 31 HB2 ALA 31 18.694 -4.216 -11.078 439 HB3 ALA 31 HB3 ALA 31 19.539 -5.139 -11.064 440 HB3 ALA 31 HB3 ALA 31 18.858 -3.677 -12.748 441 H SER 32 H SER 32 18.196 -1.938 -12.614 442 H SER 32 H SER 32 18.369 -0.504 -12.814 443 HA SER 32 HA SER 32 16.177 -0.490 -11.030 444 HA SER 32 HA SER 32 15.925 -0.303 -11.180 445 HB2 SER 32 HB2 SER 32 18.259 0.764 -12.201 446 HB2 SER 32 HB2 SER 32 15.687 1.991 -12.112 447 HB3 SER 32 HB3 SER 32 17.123 0.759 -13.550 448 HB3 SER 32 HB3 SER 32 17.170 1.788 -11.179 449 HG SER 32 HG SER 32 15.709 1.945 -12.378 450 HG SER 32 HG SER 32 17.902 2.707 -12.978 451 H GLN 33 H GLN 33 14.308 0.256 -12.371 452 H GLN 33 H GLN 33 13.965 -0.534 -12.137 453 HA GLN 33 HA GLN 33 13.784 -1.087 -14.850 454 HA GLN 33 HA GLN 33 13.826 -0.733 -15.052 455 HB2 GLN 33 HB2 GLN 33 13.320 -2.642 -12.670 456 HB2 GLN 33 HB2 GLN 33 12.735 -2.846 -15.042 457 HB3 GLN 33 HB3 GLN 33 11.756 -1.857 -12.850 458 HB3 GLN 33 HB3 GLN 33 14.178 -3.024 -14.053 459 HG2 GLN 33 HG2 GLN 33 11.223 -3.270 -14.458 460 HG2 GLN 33 HG2 GLN 33 12.891 -2.914 -12.041 461 HG3 GLN 33 HG3 GLN 33 12.595 -2.713 -15.415 462 HG3 GLN 33 HG3 GLN 33 11.432 -2.509 -12.942 463 HE21 GLN 33 HE21 GLN 33 12.424 -4.520 -12.374 464 HE21 GLN 33 HE21 GLN 33 10.106 -4.115 -13.375 465 HE22 GLN 33 HE22 GLN 33 13.320 -5.887 -12.935 466 HE22 GLN 33 HE22 GLN 33 10.514 -5.794 -13.399 467 H PHE 34 H PHE 34 11.160 -0.913 -15.144 468 H PHE 34 H PHE 34 11.895 -0.101 -15.928 469 HA PHE 34 HA PHE 34 10.137 1.569 -14.063 470 HA PHE 34 HA PHE 34 10.125 1.361 -14.176 471 HB2 PHE 34 HB2 PHE 34 11.257 1.355 -16.788 472 HB2 PHE 34 HB2 PHE 34 10.215 1.007 -17.173 473 HB3 PHE 34 HB3 PHE 34 9.676 2.124 -16.681 474 HB3 PHE 34 HB3 PHE 34 8.973 1.947 -16.354 475 HD1 PHE 34 HD1 PHE 34 9.389 4.207 -15.437 476 HD1 PHE 34 HD1 PHE 34 10.076 3.646 -14.533 477 HD2 PHE 34 HD2 PHE 34 13.217 2.408 -15.912 478 HD2 PHE 34 HD2 PHE 34 11.912 2.223 -18.100 479 HE1 PHE 34 HE1 PHE 34 10.459 6.314 -14.757 480 HE1 PHE 34 HE1 PHE 34 11.550 5.615 -14.556 481 HE2 PHE 34 HE2 PHE 34 14.293 4.514 -15.231 482 HE2 PHE 34 HE2 PHE 34 13.389 4.189 -18.128 483 HZ PHE 34 HZ PHE 34 12.915 6.470 -14.653 484 HZ PHE 34 HZ PHE 34 13.210 5.888 -16.354 485 H GLU 35 H GLU 35 9.433 -1.303 -14.159 486 H GLU 35 H GLU 35 10.057 -1.585 -16.075 487 HA GLU 35 HA GLU 35 6.646 -0.956 -14.830 488 HA GLU 35 HA GLU 35 7.323 -2.104 -16.091 489 HB2 GLU 35 HB2 GLU 35 8.485 -2.539 -16.516 490 HB2 GLU 35 HB2 GLU 35 9.788 -3.700 -16.368 491 HB3 GLU 35 HB3 GLU 35 6.974 -3.332 -16.092 492 HB3 GLU 35 HB3 GLU 35 8.368 -4.604 -15.860 493 HG2 GLU 35 HG2 GLU 35 7.242 -0.654 -17.440 494 HG2 GLU 35 HG2 GLU 35 8.668 -2.948 -18.352 495 HG3 GLU 35 HG3 GLU 35 6.806 -2.173 -18.222 496 HG3 GLU 35 HG3 GLU 35 8.546 -4.702 -18.242 497 H ARG 36 H ARG 36 5.361 -2.141 -13.530 498 H ARG 36 H ARG 36 6.125 -3.704 -14.813 499 HA ARG 36 HA ARG 36 6.237 -3.287 -11.210 500 HA ARG 36 HA ARG 36 6.481 -3.199 -11.994 501 HB2 ARG 36 HB2 ARG 36 3.919 -2.771 -11.465 502 HB2 ARG 36 HB2 ARG 36 4.240 -3.152 -12.964 503 HB3 ARG 36 HB3 ARG 36 3.756 -3.879 -12.819 504 HB3 ARG 36 HB3 ARG 36 4.407 -4.827 -13.472 505 HG2 ARG 36 HG2 ARG 36 4.173 -5.766 -11.296 506 HG2 ARG 36 HG2 ARG 36 4.914 -4.951 -10.775 507 HG3 ARG 36 HG3 ARG 36 4.259 -4.631 -9.948 508 HG3 ARG 36 HG3 ARG 36 3.652 -3.724 -10.893 509 HD2 ARG 36 HD2 ARG 36 1.956 -3.920 -10.422 510 HD2 ARG 36 HD2 ARG 36 2.264 -5.269 -12.176 511 HD3 ARG 36 HD3 ARG 36 1.877 -5.088 -11.740 512 HD3 ARG 36 HD3 ARG 36 3.532 -6.491 -12.087 513 HE ARG 36 HE ARG 36 2.542 -6.602 -9.594 514 HE ARG 36 HE ARG 36 2.895 -6.957 -9.931 515 HH11 ARG 36 HH11 ARG 36 0.003 -4.305 -10.225 516 HH11 ARG 36 HH11 ARG 36 1.401 -3.989 -10.972 517 HH12 ARG 36 HH12 ARG 36 -1.136 -5.077 -9.172 518 HH12 ARG 36 HH12 ARG 36 0.356 -3.879 -9.593 519 HH21 ARG 36 HH21 ARG 36 1.052 -7.629 -8.206 520 HH21 ARG 36 HH21 ARG 36 1.525 -6.823 -8.112 521 HH22 ARG 36 HH22 ARG 36 -0.538 -6.967 -8.024 522 HH22 ARG 36 HH22 ARG 36 0.429 -5.492 -7.967 523 HA PRO 37 HA PRO 37 8.243 -6.935 -12.936 524 HA PRO 37 HA PRO 37 8.941 -6.915 -11.537 525 HB2 PRO 37 HB2 PRO 37 9.527 -7.587 -10.636 526 HB2 PRO 37 HB2 PRO 37 9.481 -6.526 -8.904 527 HB3 PRO 37 HB3 PRO 37 10.108 -6.333 -11.738 528 HB3 PRO 37 HB3 PRO 37 10.326 -5.664 -10.196 529 HG2 PRO 37 HG2 PRO 37 8.546 -6.050 -9.199 530 HG2 PRO 37 HG2 PRO 37 8.052 -4.747 -8.479 531 HG3 PRO 37 HG3 PRO 37 9.927 -5.098 -9.777 532 HG3 PRO 37 HG3 PRO 37 9.507 -3.863 -8.974 533 HD2 PRO 37 HD2 PRO 37 7.371 -4.229 -9.983 534 HD2 PRO 37 HD2 PRO 37 7.108 -3.510 -10.179 535 HD3 PRO 37 HD3 PRO 37 8.619 -3.815 -11.176 536 HD3 PRO 37 HD3 PRO 37 8.646 -3.358 -11.052 537 H SER 38 H SER 38 5.941 -7.763 -12.960 538 H SER 38 H SER 38 7.361 -8.498 -11.760 539 HA SER 38 HA SER 38 5.235 -9.387 -10.639 540 HA SER 38 HA SER 38 6.252 -9.479 -9.244 541 HB2 SER 38 HB2 SER 38 3.082 -9.670 -11.675 542 HB2 SER 38 HB2 SER 38 4.440 -8.139 -10.196 543 HB3 SER 38 HB3 SER 38 3.520 -7.968 -11.814 544 HB3 SER 38 HB3 SER 38 4.574 -9.014 -11.721 545 HG SER 38 HG SER 38 2.681 -9.125 -13.762 546 HG SER 38 HG SER 38 2.888 -9.794 -10.327 547 H GLY 39 H GLY 39 7.503 -10.355 -11.709 548 H GLY 39 H GLY 39 8.374 -10.638 -10.281 549 HA2 GLY 39 HA2 GLY 39 7.292 -12.986 -11.993 550 HA2 GLY 39 HA2 GLY 39 9.037 -12.830 -10.695 551 HA3 GLY 39 HA3 GLY 39 6.839 -12.465 -13.609 552 HA3 GLY 39 HA3 GLY 39 7.373 -13.229 -11.097 Start of MODEL 12 1 H1 SER 5 H SER 5 1.185 -0.670 1.135 2 H1 SER 5 H SER 5 0.534 0.064 0.575 3 HA SER 5 HA SER 5 2.479 0.298 -1.325 4 HA SER 5 HA SER 5 2.625 -0.361 -1.252 5 HB2 SER 5 HB2 SER 5 3.190 1.319 0.867 6 HB2 SER 5 HB2 SER 5 3.440 0.318 0.791 7 HB3 SER 5 HB3 SER 5 3.809 -0.265 1.332 8 HB3 SER 5 HB3 SER 5 2.292 -0.668 1.696 9 HG SER 5 HG SER 5 5.547 0.372 0.341 10 HG SER 5 HG SER 5 4.813 -1.261 0.883 11 H LYS 6 H LYS 6 1.167 -2.220 -1.243 12 H LYS 6 H LYS 6 2.852 -2.035 -2.566 13 HA LYS 6 HA LYS 6 2.714 -4.432 -0.677 14 HA LYS 6 HA LYS 6 2.587 -4.737 -1.501 15 HB2 LYS 6 HB2 LYS 6 1.458 -5.552 -2.547 16 HB2 LYS 6 HB2 LYS 6 1.277 -4.040 -4.123 17 HB3 LYS 6 HB3 LYS 6 0.448 -4.735 -1.361 18 HB3 LYS 6 HB3 LYS 6 1.113 -5.517 -3.183 19 HG2 LYS 6 HG2 LYS 6 0.410 -2.766 -2.952 20 HG2 LYS 6 HG2 LYS 6 -0.077 -4.261 -1.442 21 HG3 LYS 6 HG3 LYS 6 1.119 -3.850 -4.150 22 HG3 LYS 6 HG3 LYS 6 0.054 -2.801 -2.426 23 HD2 LYS 6 HD2 LYS 6 -1.226 -3.890 -4.505 24 HD2 LYS 6 HD2 LYS 6 -1.968 -3.432 -3.194 25 HD3 LYS 6 HD3 LYS 6 -0.813 -5.412 -3.710 26 HD3 LYS 6 HD3 LYS 6 -1.029 -4.524 -4.215 27 HE2 LYS 6 HE2 LYS 6 -2.082 -4.939 -1.936 28 HE2 LYS 6 HE2 LYS 6 -1.732 -5.468 -1.494 29 HE3 LYS 6 HE3 LYS 6 -1.431 -3.306 -1.809 30 HE3 LYS 6 HE3 LYS 6 -3.038 -5.361 -2.673 31 HZ1 LYS 6 HZ1 LYS 6 -3.067 -3.331 -4.042 32 HZ1 LYS 6 HZ1 LYS 6 -0.522 -6.703 -3.399 33 HZ2 LYS 6 HZ2 LYS 6 -3.927 -4.142 -2.831 34 HZ2 LYS 6 HZ2 LYS 6 -1.672 -7.528 -2.472 35 HZ3 LYS 6 HZ3 LYS 6 -3.364 -2.571 -2.559 36 HZ3 LYS 6 HZ3 LYS 6 -2.080 -6.949 -4.009 37 H LEU 7 H LEU 7 4.800 -4.651 -1.191 38 H LEU 7 H LEU 7 4.865 -4.776 -1.689 39 HA LEU 7 HA LEU 7 5.548 -4.731 -3.987 40 HA LEU 7 HA LEU 7 5.771 -5.439 -4.375 41 HB2 LEU 7 HB2 LEU 7 6.167 -2.477 -2.309 42 HB2 LEU 7 HB2 LEU 7 7.247 -3.448 -2.663 43 HB3 LEU 7 HB3 LEU 7 7.646 -3.285 -2.821 44 HB3 LEU 7 HB3 LEU 7 7.726 -4.025 -4.257 45 HG LEU 7 HG LEU 7 6.599 -3.106 -5.200 46 HG LEU 7 HG LEU 7 5.260 -2.380 -3.700 47 HD11 LEU 7 HD11 LEU 7 4.797 -1.476 -3.555 48 HD11 LEU 7 HD11 LEU 7 7.031 -0.921 -3.276 49 HD12 LEU 7 HD12 LEU 7 5.396 -0.685 -5.013 50 HD12 LEU 7 HD12 LEU 7 8.035 -1.620 -4.547 51 HD13 LEU 7 HD13 LEU 7 4.539 -2.221 -5.133 52 HD13 LEU 7 HD13 LEU 7 6.635 -0.635 -4.971 53 HD21 LEU 7 HD21 LEU 7 8.586 -1.972 -4.871 54 HD21 LEU 7 HD21 LEU 7 6.503 -2.648 -6.381 55 HD22 LEU 7 HD22 LEU 7 7.471 -0.661 -5.261 56 HD22 LEU 7 HD22 LEU 7 5.570 -4.012 -5.767 57 HD23 LEU 7 HD23 LEU 7 7.921 -0.967 -3.583 58 HD23 LEU 7 HD23 LEU 7 4.812 -2.428 -5.931 59 HA PRO 8 HA PRO 8 8.195 -7.955 -2.619 60 HA PRO 8 HA PRO 8 8.001 -8.591 -2.283 61 HB2 PRO 8 HB2 PRO 8 10.225 -7.787 -4.414 62 HB2 PRO 8 HB2 PRO 8 10.086 -8.957 -3.982 63 HB3 PRO 8 HB3 PRO 8 8.619 -8.393 -4.835 64 HB3 PRO 8 HB3 PRO 8 8.440 -9.482 -4.354 65 HG2 PRO 8 HG2 PRO 8 9.794 -5.676 -5.283 66 HG2 PRO 8 HG2 PRO 8 9.891 -7.022 -5.250 67 HG3 PRO 8 HG3 PRO 8 8.818 -6.669 -6.382 68 HG3 PRO 8 HG3 PRO 8 8.852 -8.112 -6.187 69 HD2 PRO 8 HD2 PRO 8 7.775 -4.615 -4.958 70 HD2 PRO 8 HD2 PRO 8 7.979 -5.736 -5.223 71 HD3 PRO 8 HD3 PRO 8 6.838 -6.066 -5.369 72 HD3 PRO 8 HD3 PRO 8 6.914 -7.145 -5.397 73 HA PRO 9 HA PRO 9 11.290 -6.330 0.061 74 HA PRO 9 HA PRO 9 11.374 -7.072 0.095 75 HB2 PRO 9 HB2 PRO 9 12.832 -8.539 0.402 76 HB2 PRO 9 HB2 PRO 9 13.110 -9.158 0.182 77 HB3 PRO 9 HB3 PRO 9 11.232 -8.360 1.135 78 HB3 PRO 9 HB3 PRO 9 11.568 -9.155 1.047 79 HG2 PRO 9 HG2 PRO 9 12.027 -9.842 -1.343 80 HG2 PRO 9 HG2 PRO 9 12.271 -10.429 -1.570 81 HG3 PRO 9 HG3 PRO 9 10.917 -10.336 -0.050 82 HG3 PRO 9 HG3 PRO 9 11.315 -11.084 -0.228 83 HD2 PRO 9 HD2 PRO 9 10.050 -9.349 -2.417 84 HD2 PRO 9 HD2 PRO 9 10.178 -10.048 -2.457 85 HD3 PRO 9 HD3 PRO 9 9.176 -9.084 -0.895 86 HD3 PRO 9 HD3 PRO 9 9.416 -9.941 -0.857 87 H GLY 10 H GLY 10 12.987 -5.065 -0.356 88 H GLY 10 H GLY 10 12.789 -5.561 -0.507 89 HA2 GLY 10 HA2 GLY 10 15.301 -4.841 -1.002 90 HA2 GLY 10 HA2 GLY 10 14.914 -4.885 -1.301 91 HA3 GLY 10 HA3 GLY 10 15.006 -6.004 -2.286 92 HA3 GLY 10 HA3 GLY 10 14.934 -6.284 -2.365 93 H TRP 11 H TRP 11 12.496 -4.758 -3.106 94 H TRP 11 H TRP 11 12.188 -4.131 -2.102 95 HA TRP 11 HA TRP 11 13.637 -2.748 -4.836 96 HA TRP 11 HA TRP 11 12.906 -2.845 -4.633 97 HB2 TRP 11 HB2 TRP 11 10.956 -4.095 -4.657 98 HB2 TRP 11 HB2 TRP 11 10.346 -4.363 -4.114 99 HB3 TRP 11 HB3 TRP 11 11.193 -2.690 -5.692 100 HB3 TRP 11 HB3 TRP 11 10.551 -3.230 -5.448 101 HD1 TRP 11 HD1 TRP 11 11.661 -6.391 -5.613 102 HD1 TRP 11 HD1 TRP 11 12.043 -6.563 -4.169 103 HE1 TRP 11 HE1 TRP 11 12.833 -7.177 -7.765 104 HE1 TRP 11 HE1 TRP 11 12.920 -7.875 -6.202 105 HE3 TRP 11 HE3 TRP 11 13.116 -1.848 -7.450 106 HE3 TRP 11 HE3 TRP 11 11.218 -3.068 -7.806 107 HZ2 TRP 11 HZ2 TRP 11 14.195 -6.024 -9.952 108 HZ2 TRP 11 HZ2 TRP 11 13.223 -7.480 -8.980 109 HZ3 TRP 11 HZ3 TRP 11 14.349 -1.776 -9.578 110 HZ3 TRP 11 HZ3 TRP 11 11.830 -3.614 -10.127 111 HH2 TRP 11 HH2 TRP 11 14.877 -3.822 -10.800 112 HH2 TRP 11 HH2 TRP 11 12.812 -5.774 -10.699 113 H GLU 12 H GLU 12 12.953 -0.592 -5.012 114 H GLU 12 H GLU 12 12.373 -0.740 -4.717 115 HA GLU 12 HA GLU 12 11.292 0.449 -2.833 116 HA GLU 12 HA GLU 12 10.365 0.294 -2.850 117 HB2 GLU 12 HB2 GLU 12 13.886 0.610 -2.471 118 HB2 GLU 12 HB2 GLU 12 12.952 1.769 -3.217 119 HB3 GLU 12 HB3 GLU 12 13.768 1.940 -3.612 120 HB3 GLU 12 HB3 GLU 12 11.756 1.939 -1.940 121 HG2 GLU 12 HG2 GLU 12 12.265 3.124 -2.173 122 HG2 GLU 12 HG2 GLU 12 12.509 -0.613 -1.542 123 HG3 GLU 12 HG3 GLU 12 12.165 1.749 -1.074 124 HG3 GLU 12 HG3 GLU 12 14.002 0.057 -2.195 125 H LYS 13 H LYS 13 9.760 1.741 -3.590 126 H LYS 13 H LYS 13 9.088 1.834 -3.696 127 HA LYS 13 HA LYS 13 9.858 2.638 -6.342 128 HA LYS 13 HA LYS 13 9.512 2.561 -6.479 129 HB2 LYS 13 HB2 LYS 13 7.765 1.742 -5.609 130 HB2 LYS 13 HB2 LYS 13 7.286 1.776 -5.482 131 HB3 LYS 13 HB3 LYS 13 7.739 2.793 -4.199 132 HB3 LYS 13 HB3 LYS 13 7.179 3.374 -4.754 133 HG2 LYS 13 HG2 LYS 13 6.800 4.463 -5.332 134 HG2 LYS 13 HG2 LYS 13 7.484 4.284 -7.116 135 HG3 LYS 13 HG3 LYS 13 7.900 4.270 -6.698 136 HG3 LYS 13 HG3 LYS 13 7.147 2.638 -7.660 137 HD2 LYS 13 HD2 LYS 13 6.415 3.057 -7.863 138 HD2 LYS 13 HD2 LYS 13 5.255 3.700 -5.678 139 HD3 LYS 13 HD3 LYS 13 5.946 2.109 -6.449 140 HD3 LYS 13 HD3 LYS 13 5.255 4.540 -7.231 141 HE2 LYS 13 HE2 LYS 13 4.649 4.149 -5.689 142 HE2 LYS 13 HE2 LYS 13 3.665 2.835 -7.473 143 HE3 LYS 13 HE3 LYS 13 4.931 4.812 -7.299 144 HE3 LYS 13 HE3 LYS 13 5.103 2.225 -8.290 145 HZ1 LYS 13 HZ1 LYS 13 3.774 2.960 -8.265 146 HZ1 LYS 13 HZ1 LYS 13 4.146 0.509 -6.929 147 HZ2 LYS 13 HZ2 LYS 13 3.585 2.222 -6.754 148 HZ2 LYS 13 HZ2 LYS 13 5.634 0.968 -6.268 149 HZ3 LYS 13 HZ3 LYS 13 2.781 3.671 -7.094 150 HZ3 LYS 13 HZ3 LYS 13 4.193 1.499 -5.558 151 H ARG 14 H ARG 14 11.066 4.394 -6.715 152 H ARG 14 H ARG 14 10.158 4.503 -7.180 153 HA ARG 14 HA ARG 14 10.720 6.708 -4.924 154 HA ARG 14 HA ARG 14 10.420 6.659 -5.189 155 HB2 ARG 14 HB2 ARG 14 13.123 6.229 -6.678 156 HB2 ARG 14 HB2 ARG 14 12.158 5.917 -7.536 157 HB3 ARG 14 HB3 ARG 14 12.960 7.370 -5.350 158 HB3 ARG 14 HB3 ARG 14 12.254 7.493 -6.762 159 HG2 ARG 14 HG2 ARG 14 12.831 4.396 -4.953 160 HG2 ARG 14 HG2 ARG 14 12.378 5.392 -4.800 161 HG3 ARG 14 HG3 ARG 14 14.342 5.307 -4.902 162 HG3 ARG 14 HG3 ARG 14 13.609 5.168 -6.045 163 HD2 ARG 14 HD2 ARG 14 11.945 5.606 -3.103 164 HD2 ARG 14 HD2 ARG 14 14.839 6.691 -4.991 165 HD3 ARG 14 HD3 ARG 14 13.563 5.060 -2.660 166 HD3 ARG 14 HD3 ARG 14 13.645 7.896 -5.472 167 HE ARG 14 HE ARG 14 14.032 7.534 -3.595 168 HE ARG 14 HE ARG 14 14.003 6.748 -2.849 169 HH11 ARG 14 HH11 ARG 14 11.716 6.300 -1.306 170 HH11 ARG 14 HH11 ARG 14 11.848 8.436 -5.002 171 HH12 ARG 14 HH12 ARG 14 11.654 7.765 -0.382 172 HH12 ARG 14 HH12 ARG 14 10.888 9.106 -3.725 173 HH21 ARG 14 HH21 ARG 14 13.957 9.467 -2.387 174 HH21 ARG 14 HH21 ARG 14 12.746 7.626 -1.160 175 HH22 ARG 14 HH22 ARG 14 12.928 9.566 -0.999 176 HH22 ARG 14 HH22 ARG 14 11.400 8.646 -1.540 177 H MET 15 H MET 15 10.879 8.825 -5.947 178 H MET 15 H MET 15 10.454 8.883 -6.198 179 HA MET 15 HA MET 15 9.993 8.772 -8.758 180 HA MET 15 HA MET 15 8.570 9.032 -8.457 181 HB2 MET 15 HB2 MET 15 8.843 10.073 -6.385 182 HB2 MET 15 HB2 MET 15 7.561 9.533 -6.174 183 HB3 MET 15 HB3 MET 15 8.988 11.123 -7.787 184 HB3 MET 15 HB3 MET 15 8.581 10.965 -6.142 185 HG2 MET 15 HG2 MET 15 7.640 9.680 -9.109 186 HG2 MET 15 HG2 MET 15 6.769 11.940 -7.033 187 HG3 MET 15 HG3 MET 15 7.669 8.426 -7.871 188 HG3 MET 15 HG3 MET 15 7.420 11.292 -8.536 189 HE1 MET 15 HE1 MET 15 4.726 11.528 -8.657 190 HE1 MET 15 HE1 MET 15 4.986 12.201 -8.779 191 HE2 MET 15 HE2 MET 15 5.878 10.620 -9.637 192 HE2 MET 15 HE2 MET 15 3.841 10.957 -9.284 193 HE3 MET 15 HE3 MET 15 4.469 9.808 -8.952 194 HE3 MET 15 HE3 MET 15 3.722 11.662 -7.671 195 H SER 16 H SER 16 10.782 10.338 -10.143 196 H SER 16 H SER 16 11.401 9.160 -8.627 197 HA SER 16 HA SER 16 13.376 11.280 -9.682 198 HA SER 16 HA SER 16 13.108 10.429 -9.449 199 HB2 SER 16 HB2 SER 16 11.530 12.560 -11.684 200 HB2 SER 16 HB2 SER 16 11.107 10.662 -11.165 201 HB3 SER 16 HB3 SER 16 13.263 12.260 -11.814 202 HB3 SER 16 HB3 SER 16 11.137 12.342 -10.632 203 HG SER 16 HG SER 16 12.879 10.279 -12.455 204 HG SER 16 HG SER 16 12.797 11.074 -12.322 205 H ARG 17 H ARG 17 13.540 13.877 -10.486 206 H ARG 17 H ARG 17 13.459 13.094 -9.954 207 HA ARG 17 HA ARG 17 12.658 15.268 -8.091 208 HA ARG 17 HA ARG 17 13.404 14.194 -7.241 209 HB2 ARG 17 HB2 ARG 17 14.368 16.300 -10.358 210 HB2 ARG 17 HB2 ARG 17 15.598 14.112 -8.225 211 HB3 ARG 17 HB3 ARG 17 14.166 17.033 -8.773 212 HB3 ARG 17 HB3 ARG 17 15.029 14.914 -9.682 213 HG2 ARG 17 HG2 ARG 17 16.095 15.985 -8.323 214 HG2 ARG 17 HG2 ARG 17 14.419 16.599 -7.493 215 HG3 ARG 17 HG3 ARG 17 15.053 14.585 -8.069 216 HG3 ARG 17 HG3 ARG 17 16.091 16.062 -7.312 217 HD2 ARG 17 HD2 ARG 17 16.425 13.604 -9.560 218 HD2 ARG 17 HD2 ARG 17 15.011 17.134 -9.905 219 HD3 ARG 17 HD3 ARG 17 15.425 14.450 -10.742 220 HD3 ARG 17 HD3 ARG 17 15.695 18.182 -8.664 221 HE ARG 17 HE ARG 17 17.646 16.008 -9.810 222 HE ARG 17 HE ARG 17 17.643 16.368 -9.015 223 HH11 ARG 17 HH11 ARG 17 16.619 13.586 -12.089 224 HH11 ARG 17 HH11 ARG 17 15.796 18.283 -11.260 225 HH12 ARG 17 HH12 ARG 17 17.873 13.942 -13.232 226 HH12 ARG 17 HH12 ARG 17 17.070 18.375 -12.430 227 HH21 ARG 17 HH21 ARG 17 19.302 16.486 -11.305 228 HH21 ARG 17 HH21 ARG 17 19.328 16.481 -10.548 229 HH22 ARG 17 HH22 ARG 17 19.399 15.591 -12.784 230 HH22 ARG 17 HH22 ARG 17 19.078 17.348 -12.026 231 H ASN 18 H ASN 18 12.905 16.537 -11.394 232 H ASN 18 H ASN 18 13.545 15.968 -10.293 233 HA ASN 18 HA ASN 18 10.349 17.900 -11.002 234 HA ASN 18 HA ASN 18 11.334 17.641 -9.347 235 HB2 ASN 18 HB2 ASN 18 12.300 18.246 -13.284 236 HB2 ASN 18 HB2 ASN 18 13.675 18.071 -11.129 237 HB3 ASN 18 HB3 ASN 18 10.985 19.325 -12.829 238 HB3 ASN 18 HB3 ASN 18 12.210 18.976 -11.502 239 HD21 ASN 18 HD21 ASN 18 13.948 19.669 -13.067 240 HD21 ASN 18 HD21 ASN 18 13.844 20.713 -10.992 241 HD22 ASN 18 HD22 ASN 18 14.427 20.365 -11.560 242 HD22 ASN 18 HD22 ASN 18 13.908 21.256 -9.353 243 H SER 19 H SER 19 11.661 15.194 -12.586 244 H SER 19 H SER 19 11.425 14.926 -10.931 245 HA SER 19 HA SER 19 9.720 15.122 -14.727 246 HA SER 19 HA SER 19 9.397 15.743 -12.907 247 HB2 SER 19 HB2 SER 19 10.815 12.621 -14.686 248 HB2 SER 19 HB2 SER 19 10.311 14.440 -14.544 249 HB3 SER 19 HB3 SER 19 11.504 13.994 -15.550 250 HB3 SER 19 HB3 SER 19 11.789 14.745 -13.631 251 HG SER 19 HG SER 19 13.009 12.910 -14.158 252 HG SER 19 HG SER 19 11.642 12.553 -13.950 253 H GLY 20 H GLY 20 10.092 13.820 -11.518 254 H GLY 20 H GLY 20 8.007 13.786 -13.566 255 HA2 GLY 20 HA2 GLY 20 8.741 12.480 -10.226 256 HA2 GLY 20 HA2 GLY 20 7.217 12.411 -11.080 257 HA3 GLY 20 HA3 GLY 20 7.426 13.258 -11.094 258 HA3 GLY 20 HA3 GLY 20 6.128 12.804 -12.403 259 H ARG 21 H ARG 21 9.797 11.309 -12.747 260 H ARG 21 H ARG 21 9.281 11.515 -13.073 261 HA ARG 21 HA ARG 21 7.800 9.638 -13.877 262 HA ARG 21 HA ARG 21 8.108 9.249 -14.403 263 HB2 ARG 21 HB2 ARG 21 10.431 10.262 -14.468 264 HB2 ARG 21 HB2 ARG 21 10.945 10.202 -14.034 265 HB3 ARG 21 HB3 ARG 21 10.513 8.570 -13.994 266 HB3 ARG 21 HB3 ARG 21 10.563 8.684 -14.835 267 HG2 ARG 21 HG2 ARG 21 10.171 8.456 -16.275 268 HG2 ARG 21 HG2 ARG 21 9.400 11.305 -15.725 269 HG3 ARG 21 HG3 ARG 21 8.543 8.251 -15.627 270 HG3 ARG 21 HG3 ARG 21 10.949 10.699 -16.317 271 HD2 ARG 21 HD2 ARG 21 8.150 10.672 -15.974 272 HD2 ARG 21 HD2 ARG 21 8.333 9.210 -16.499 273 HD3 ARG 21 HD3 ARG 21 9.742 10.793 -16.721 274 HD3 ARG 21 HD3 ARG 21 9.042 10.159 -17.806 275 HE ARG 21 HE ARG 21 8.830 9.974 -18.639 276 HE ARG 21 HE ARG 21 11.003 8.399 -17.109 277 HH11 ARG 21 HH11 ARG 21 6.796 9.049 -15.970 278 HH11 ARG 21 HH11 ARG 21 7.675 8.104 -18.087 279 HH12 ARG 21 HH12 ARG 21 5.581 8.332 -16.974 280 HH12 ARG 21 HH12 ARG 21 7.897 6.558 -18.839 281 HH21 ARG 21 HH21 ARG 21 7.237 9.032 -19.973 282 HH21 ARG 21 HH21 ARG 21 11.308 6.365 -18.096 283 HH22 ARG 21 HH22 ARG 21 5.833 8.323 -19.251 284 HH22 ARG 21 HH22 ARG 21 9.964 5.570 -18.844 285 H VAL 22 H VAL 22 7.203 7.567 -13.416 286 H VAL 22 H VAL 22 7.145 8.230 -12.537 287 HA VAL 22 HA VAL 22 7.961 6.571 -10.778 288 HA VAL 22 HA VAL 22 8.517 7.343 -10.281 289 HB VAL 22 HB VAL 22 5.858 5.420 -12.605 290 HB VAL 22 HB VAL 22 6.044 6.426 -11.680 291 HG11 VAL 22 HG11 VAL 22 6.766 4.135 -10.596 292 HG11 VAL 22 HG11 VAL 22 7.482 4.922 -9.508 293 HG12 VAL 22 HG12 VAL 22 5.958 5.349 -9.604 294 HG12 VAL 22 HG12 VAL 22 5.752 4.749 -9.804 295 HG13 VAL 22 HG13 VAL 22 5.017 4.337 -10.700 296 HG13 VAL 22 HG13 VAL 22 6.909 4.317 -11.062 297 HG21 VAL 22 HG21 VAL 22 4.574 6.886 -10.621 298 HG21 VAL 22 HG21 VAL 22 4.953 7.173 -9.725 299 HG22 VAL 22 HG22 VAL 22 5.862 7.945 -11.196 300 HG22 VAL 22 HG22 VAL 22 6.455 7.190 -8.800 301 HG23 VAL 22 HG23 VAL 22 4.683 7.293 -12.334 302 HG23 VAL 22 HG23 VAL 22 6.188 8.384 -10.071 303 H TYR 23 H TYR 23 8.974 4.653 -10.411 304 H TYR 23 H TYR 23 9.719 5.568 -9.793 305 HA TYR 23 HA TYR 23 9.319 2.635 -12.383 306 HA TYR 23 HA TYR 23 10.043 3.428 -11.725 307 HB2 TYR 23 HB2 TYR 23 11.663 2.859 -12.846 308 HB2 TYR 23 HB2 TYR 23 12.452 3.653 -11.906 309 HB3 TYR 23 HB3 TYR 23 10.897 4.399 -13.219 310 HB3 TYR 23 HB3 TYR 23 11.684 5.142 -12.443 311 HD1 TYR 23 HD1 TYR 23 13.687 2.968 -11.761 312 HD1 TYR 23 HD1 TYR 23 12.071 7.207 -11.315 313 HD2 TYR 23 HD2 TYR 23 10.829 6.041 -11.063 314 HD2 TYR 23 HD2 TYR 23 13.591 3.576 -9.699 315 HE1 TYR 23 HE1 TYR 23 15.288 4.112 -10.285 316 HE1 TYR 23 HE1 TYR 23 13.451 8.494 -9.737 317 HE2 TYR 23 HE2 TYR 23 12.422 7.195 -9.585 318 HE2 TYR 23 HE2 TYR 23 14.975 4.853 -8.116 319 HH TYR 23 HH TYR 23 14.732 6.050 -8.121 320 HH TYR 23 HH TYR 23 15.926 7.646 -8.345 321 H TYR 24 H TYR 24 11.270 1.138 -11.597 322 H TYR 24 H TYR 24 11.986 1.965 -10.780 323 HA TYR 24 HA TYR 24 11.000 0.898 -8.671 324 HA TYR 24 HA TYR 24 11.497 1.698 -7.887 325 HB2 TYR 24 HB2 TYR 24 11.069 -1.229 -10.806 326 HB2 TYR 24 HB2 TYR 24 11.758 -0.543 -9.903 327 HB3 TYR 24 HB3 TYR 24 11.373 -1.592 -9.111 328 HB3 TYR 24 HB3 TYR 24 11.563 -0.746 -8.166 329 HD1 TYR 24 HD1 TYR 24 9.591 -2.038 -7.676 330 HD1 TYR 24 HD1 TYR 24 9.889 0.115 -11.301 331 HD2 TYR 24 HD2 TYR 24 8.834 -0.073 -11.372 332 HD2 TYR 24 HD2 TYR 24 9.416 -0.321 -7.095 333 HE1 TYR 24 HE1 TYR 24 7.172 -2.238 -7.280 334 HE1 TYR 24 HE1 TYR 24 7.446 0.134 -11.579 335 HE2 TYR 24 HE2 TYR 24 6.413 -0.266 -10.987 336 HE2 TYR 24 HE2 TYR 24 6.971 -0.304 -7.363 337 HH TYR 24 HH TYR 24 5.095 -2.242 -8.530 338 HH TYR 24 HH TYR 24 5.294 -0.643 -8.979 339 H PHE 25 H PHE 25 12.816 0.845 -7.508 340 H PHE 25 H PHE 25 13.198 0.828 -6.636 341 HA PHE 25 HA PHE 25 15.358 0.348 -8.909 342 HA PHE 25 HA PHE 25 15.810 0.658 -7.969 343 HB2 PHE 25 HB2 PHE 25 15.284 2.704 -8.521 344 HB2 PHE 25 HB2 PHE 25 15.200 2.900 -6.683 345 HB3 PHE 25 HB3 PHE 25 14.717 2.480 -6.870 346 HB3 PHE 25 HB3 PHE 25 15.672 1.945 -5.282 347 HD1 PHE 25 HD1 PHE 25 17.622 2.066 -9.111 348 HD1 PHE 25 HD1 PHE 25 16.914 2.733 -8.712 349 HD2 PHE 25 HD2 PHE 25 16.230 2.172 -5.091 350 HD2 PHE 25 HD2 PHE 25 17.863 2.044 -4.620 351 HE1 PHE 25 HE1 PHE 25 19.948 2.131 -8.311 352 HE1 PHE 25 HE1 PHE 25 19.279 3.224 -9.181 353 HE2 PHE 25 HE2 PHE 25 18.553 2.237 -4.284 354 HE2 PHE 25 HE2 PHE 25 20.229 2.534 -5.083 355 HZ PHE 25 HZ PHE 25 20.415 2.218 -5.895 356 HZ PHE 25 HZ PHE 25 20.940 3.126 -7.365 357 H ASN 26 H ASN 26 16.414 -1.333 -8.110 358 H ASN 26 H ASN 26 17.093 -0.959 -7.273 359 HA ASN 26 HA ASN 26 15.718 -2.327 -5.451 360 HA ASN 26 HA ASN 26 16.029 -2.684 -5.160 361 HB2 ASN 26 HB2 ASN 26 15.806 -3.779 -7.588 362 HB2 ASN 26 HB2 ASN 26 16.598 -3.564 -7.489 363 HB3 ASN 26 HB3 ASN 26 17.556 -3.704 -7.397 364 HB3 ASN 26 HB3 ASN 26 18.289 -3.344 -7.046 365 HD21 ASN 26 HD21 ASN 26 15.477 -5.880 -7.140 366 HD21 ASN 26 HD21 ASN 26 16.383 -5.703 -7.540 367 HD22 ASN 26 HD22 ASN 26 15.827 -6.619 -5.619 368 HD22 ASN 26 HD22 ASN 26 16.726 -6.767 -6.223 369 H HIS 27 H HIS 27 17.021 -2.140 -3.746 370 H HIS 27 H HIS 27 17.128 -3.155 -3.321 371 HA HIS 27 HA HIS 27 19.586 -0.817 -4.087 372 HA HIS 27 HA HIS 27 19.403 -1.461 -2.690 373 HB2 HIS 27 HB2 HIS 27 19.501 -0.314 -1.800 374 HB2 HIS 27 HB2 HIS 27 17.280 -2.094 -1.203 375 HB3 HIS 27 HB3 HIS 27 17.815 -0.239 -2.302 376 HB3 HIS 27 HB3 HIS 27 18.333 -3.420 -0.720 377 HD1 HIS 27 HD1 HIS 27 20.218 -2.493 -0.457 378 HD1 HIS 27 HD1 HIS 27 20.051 -2.913 1.019 379 HD2 HIS 27 HD2 HIS 27 16.132 -1.975 -1.000 380 HD2 HIS 27 HD2 HIS 27 18.424 0.528 -0.645 381 HE1 HIS 27 HE1 HIS 27 19.119 -4.040 1.194 382 HE1 HIS 27 HE1 HIS 27 20.966 -1.009 2.385 383 H ILE 28 H ILE 28 18.449 -3.964 -3.900 384 H ILE 28 H ILE 28 19.484 -3.928 -4.475 385 HA ILE 28 HA ILE 28 20.849 -5.021 -2.614 386 HA ILE 28 HA ILE 28 21.915 -5.027 -3.297 387 HB ILE 28 HB ILE 28 18.300 -6.327 -3.548 388 HB ILE 28 HB ILE 28 20.054 -7.015 -4.500 389 HG12 ILE 28 HG12 ILE 28 19.600 -5.939 -0.845 390 HG12 ILE 28 HG12 ILE 28 19.826 -5.943 -1.682 391 HG13 ILE 28 HG13 ILE 28 18.112 -5.197 -1.422 392 HG13 ILE 28 HG13 ILE 28 18.585 -5.912 -2.930 393 HG21 ILE 28 HG21 ILE 28 20.794 -7.645 -2.485 394 HG21 ILE 28 HG21 ILE 28 21.243 -8.559 -3.175 395 HG22 ILE 28 HG22 ILE 28 19.230 -8.441 -2.656 396 HG22 ILE 28 HG22 ILE 28 22.455 -7.441 -3.802 397 HG23 ILE 28 HG23 ILE 28 20.082 -7.855 -4.085 398 HG23 ILE 28 HG23 ILE 28 21.891 -7.289 -2.137 399 HD11 ILE 28 HD11 ILE 28 17.207 -7.572 -1.606 400 HD11 ILE 28 HD11 ILE 28 17.813 -7.804 -2.093 401 HD12 ILE 28 HD12 ILE 28 18.600 -8.044 -0.633 402 HD12 ILE 28 HD12 ILE 28 19.286 -8.595 -2.653 403 HD13 ILE 28 HD13 ILE 28 17.422 -6.900 0.010 404 HD13 ILE 28 HD13 ILE 28 19.200 -7.953 -1.013 405 H THR 29 H THR 29 19.285 -4.857 -5.750 406 H THR 29 H THR 29 19.725 -5.599 -6.057 407 HA THR 29 HA THR 29 21.527 -6.344 -6.940 408 HA THR 29 HA THR 29 22.056 -5.706 -7.826 409 HB THR 29 HB THR 29 19.925 -6.213 -9.021 410 HB THR 29 HB THR 29 20.571 -6.644 -9.504 411 HG1 THR 29 HG1 THR 29 18.013 -5.448 -8.570 412 HG1 THR 29 HG1 THR 29 18.571 -5.935 -9.324 413 HG21 THR 29 HG21 THR 29 19.644 -8.027 -6.638 414 HG21 THR 29 HG21 THR 29 20.432 -7.849 -6.756 415 HG22 THR 29 HG22 THR 29 18.730 -8.287 -8.125 416 HG22 THR 29 HG22 THR 29 19.700 -8.648 -8.148 417 HG23 THR 29 HG23 THR 29 20.493 -8.327 -8.155 418 HG23 THR 29 HG23 THR 29 21.435 -8.330 -8.125 419 H ASN 30 H ASN 30 20.283 -3.232 -6.524 420 H ASN 30 H ASN 30 22.561 -3.516 -8.005 421 HA ASN 30 HA ASN 30 20.888 -1.188 -7.317 422 HA ASN 30 HA ASN 30 20.768 -1.440 -8.510 423 HB2 ASN 30 HB2 ASN 30 23.214 -2.675 -7.294 424 HB2 ASN 30 HB2 ASN 30 23.641 -1.652 -9.438 425 HB3 ASN 30 HB3 ASN 30 23.163 -2.055 -8.943 426 HB3 ASN 30 HB3 ASN 30 22.708 -0.167 -9.285 427 HD21 ASN 30 HD21 ASN 30 21.947 0.380 -8.539 428 HD21 ASN 30 HD21 ASN 30 21.437 -0.609 -6.881 429 HD22 ASN 30 HD22 ASN 30 22.995 1.394 -7.612 430 HD22 ASN 30 HD22 ASN 30 22.612 -0.642 -5.615 431 H ALA 31 H ALA 31 19.247 -3.120 -8.923 432 H ALA 31 H ALA 31 19.310 -1.519 -10.105 433 HA ALA 31 HA ALA 31 19.743 -2.088 -11.629 434 HA ALA 31 HA ALA 31 20.097 -1.262 -12.805 435 HB1 ALA 31 HB1 ALA 31 19.594 -4.516 -11.438 436 HB1 ALA 31 HB1 ALA 31 20.535 -3.599 -12.798 437 HB2 ALA 31 HB2 ALA 31 17.983 -4.369 -10.734 438 HB2 ALA 31 HB2 ALA 31 19.008 -3.947 -11.988 439 HB3 ALA 31 HB3 ALA 31 18.265 -3.874 -12.404 440 HB3 ALA 31 HB3 ALA 31 19.011 -3.361 -13.652 441 H SER 32 H SER 32 18.063 -1.154 -12.844 442 H SER 32 H SER 32 18.477 -0.398 -14.015 443 HA SER 32 HA SER 32 15.736 -0.254 -11.277 444 HA SER 32 HA SER 32 15.964 0.124 -12.626 445 HB2 SER 32 HB2 SER 32 15.889 1.941 -12.218 446 HB2 SER 32 HB2 SER 32 16.305 1.321 -15.281 447 HB3 SER 32 HB3 SER 32 17.497 1.532 -11.620 448 HB3 SER 32 HB3 SER 32 15.914 2.086 -13.741 449 HG SER 32 HG SER 32 17.598 2.424 -13.710 450 HG SER 32 HG SER 32 18.451 1.444 -14.801 451 H GLN 33 H GLN 33 13.783 -0.255 -12.296 452 H GLN 33 H GLN 33 13.919 -0.162 -13.648 453 HA GLN 33 HA GLN 33 13.633 -0.693 -15.163 454 HA GLN 33 HA GLN 33 13.850 -1.913 -15.985 455 HB2 GLN 33 HB2 GLN 33 11.981 -2.633 -14.676 456 HB2 GLN 33 HB2 GLN 33 13.738 -3.596 -14.385 457 HB3 GLN 33 HB3 GLN 33 13.709 -2.956 -14.637 458 HB3 GLN 33 HB3 GLN 33 12.841 -2.598 -13.250 459 HG2 GLN 33 HG2 GLN 33 13.644 -3.558 -12.504 460 HG2 GLN 33 HG2 GLN 33 10.825 -2.946 -14.335 461 HG3 GLN 33 HG3 GLN 33 12.711 -2.133 -12.051 462 HG3 GLN 33 HG3 GLN 33 11.606 -3.429 -15.840 463 HE21 GLN 33 HE21 GLN 33 11.862 -4.708 -14.306 464 HE21 GLN 33 HE21 GLN 33 9.583 -4.720 -14.028 465 HE22 GLN 33 HE22 GLN 33 10.473 -5.257 -13.438 466 HE22 GLN 33 HE22 GLN 33 10.210 -6.302 -13.741 467 H PHE 34 H PHE 34 11.882 0.247 -16.039 468 H PHE 34 H PHE 34 11.956 -0.117 -13.581 469 HA PHE 34 HA PHE 34 10.038 1.596 -14.233 470 HA PHE 34 HA PHE 34 10.235 1.360 -13.849 471 HB2 PHE 34 HB2 PHE 34 10.676 1.859 -17.159 472 HB2 PHE 34 HB2 PHE 34 11.486 1.369 -16.387 473 HB3 PHE 34 HB3 PHE 34 9.225 2.593 -16.484 474 HB3 PHE 34 HB3 PHE 34 9.754 1.251 -16.678 475 HD1 PHE 34 HD1 PHE 34 9.423 4.830 -16.066 476 HD1 PHE 34 HD1 PHE 34 8.372 3.122 -16.470 477 HD2 PHE 34 HD2 PHE 34 12.817 2.325 -15.493 478 HD2 PHE 34 HD2 PHE 34 12.336 3.246 -14.924 479 HE1 PHE 34 HE1 PHE 34 10.741 6.783 -15.356 480 HE1 PHE 34 HE1 PHE 34 8.139 5.540 -16.077 481 HE2 PHE 34 HE2 PHE 34 14.140 4.273 -14.781 482 HE2 PHE 34 HE2 PHE 34 12.110 5.664 -14.530 483 HZ PHE 34 HZ PHE 34 13.102 6.506 -14.711 484 HZ PHE 34 HZ PHE 34 10.009 6.814 -15.105 485 H GLU 35 H GLU 35 9.731 -1.186 -14.317 486 H GLU 35 H GLU 35 9.967 -1.234 -16.282 487 HA GLU 35 HA GLU 35 6.993 -1.349 -15.314 488 HA GLU 35 HA GLU 35 7.247 -1.499 -16.408 489 HB2 GLU 35 HB2 GLU 35 9.279 -2.898 -16.352 490 HB2 GLU 35 HB2 GLU 35 9.501 -3.430 -16.685 491 HB3 GLU 35 HB3 GLU 35 7.850 -3.845 -15.962 492 HB3 GLU 35 HB3 GLU 35 7.865 -4.070 -16.625 493 HG2 GLU 35 HG2 GLU 35 8.011 -1.519 -17.861 494 HG2 GLU 35 HG2 GLU 35 8.885 -3.576 -18.913 495 HG3 GLU 35 HG3 GLU 35 7.791 -3.218 -18.277 496 HG3 GLU 35 HG3 GLU 35 7.243 -3.021 -18.599 497 H ARG 36 H ARG 36 5.667 -2.425 -13.968 498 H ARG 36 H ARG 36 5.776 -3.061 -15.435 499 HA ARG 36 HA ARG 36 6.415 -3.036 -11.365 500 HA ARG 36 HA ARG 36 5.720 -2.884 -12.638 501 HB2 ARG 36 HB2 ARG 36 4.098 -2.600 -12.029 502 HB2 ARG 36 HB2 ARG 36 3.704 -3.176 -14.005 503 HB3 ARG 36 HB3 ARG 36 4.063 -4.107 -12.934 504 HB3 ARG 36 HB3 ARG 36 4.230 -4.795 -14.446 505 HG2 ARG 36 HG2 ARG 36 4.579 -5.256 -10.719 506 HG2 ARG 36 HG2 ARG 36 2.723 -5.238 -12.776 507 HG3 ARG 36 HG3 ARG 36 4.167 -3.715 -9.964 508 HG3 ARG 36 HG3 ARG 36 4.239 -5.195 -11.874 509 HD2 ARG 36 HD2 ARG 36 1.961 -3.790 -11.023 510 HD2 ARG 36 HD2 ARG 36 3.795 -2.878 -11.235 511 HD3 ARG 36 HD3 ARG 36 2.376 -5.329 -11.777 512 HD3 ARG 36 HD3 ARG 36 2.289 -2.911 -12.152 513 HE ARG 36 HE ARG 36 2.742 -5.837 -9.158 514 HE ARG 36 HE ARG 36 2.712 -3.926 -9.527 515 HH11 ARG 36 HH11 ARG 36 0.108 -4.429 -10.946 516 HH11 ARG 36 HH11 ARG 36 0.924 -4.458 -12.467 517 HH12 ARG 36 HH12 ARG 36 -1.110 -4.997 -9.853 518 HH12 ARG 36 HH12 ARG 36 -0.392 -5.259 -11.674 519 HH21 ARG 36 HH21 ARG 36 1.147 -6.590 -7.710 520 HH21 ARG 36 HH21 ARG 36 0.985 -4.980 -8.473 521 HH22 ARG 36 HH22 ARG 36 -0.518 -6.225 -8.013 522 HH22 ARG 36 HH22 ARG 36 -0.357 -5.555 -9.403 523 HA PRO 37 HA PRO 37 8.564 -6.884 -12.210 524 HA PRO 37 HA PRO 37 8.681 -6.162 -11.852 525 HB2 PRO 37 HB2 PRO 37 9.490 -7.196 -9.677 526 HB2 PRO 37 HB2 PRO 37 8.786 -5.746 -9.171 527 HB3 PRO 37 HB3 PRO 37 10.234 -6.095 -10.843 528 HB3 PRO 37 HB3 PRO 37 9.654 -4.738 -10.335 529 HG2 PRO 37 HG2 PRO 37 8.314 -5.492 -8.627 530 HG2 PRO 37 HG2 PRO 37 7.050 -4.220 -8.952 531 HG3 PRO 37 HG3 PRO 37 9.770 -4.605 -9.119 532 HG3 PRO 37 HG3 PRO 37 8.402 -3.110 -9.242 533 HD2 PRO 37 HD2 PRO 37 7.276 -3.815 -9.817 534 HD2 PRO 37 HD2 PRO 37 6.166 -3.113 -10.768 535 HD3 PRO 37 HD3 PRO 37 8.690 -3.547 -10.858 536 HD3 PRO 37 HD3 PRO 37 7.766 -2.706 -11.421 537 H SER 38 H SER 38 6.318 -7.777 -12.473 538 H SER 38 H SER 38 7.534 -8.028 -12.221 539 HA SER 38 HA SER 38 5.311 -9.118 -10.069 540 HA SER 38 HA SER 38 6.260 -9.223 -9.904 541 HB2 SER 38 HB2 SER 38 3.250 -9.398 -11.206 542 HB2 SER 38 HB2 SER 38 4.511 -7.968 -11.382 543 HB3 SER 38 HB3 SER 38 3.790 -7.774 -11.630 544 HB3 SER 38 HB3 SER 38 4.720 -9.332 -12.481 545 HG SER 38 HG SER 38 3.740 -10.103 -13.201 546 HG SER 38 HG SER 38 3.029 -9.722 -11.018 547 H GLY 39 H GLY 39 7.696 -10.141 -10.952 548 H GLY 39 H GLY 39 8.579 -10.091 -10.624 549 HA2 GLY 39 HA2 GLY 39 6.884 -12.844 -11.672 550 HA2 GLY 39 HA2 GLY 39 8.191 -12.315 -12.517 551 HA3 GLY 39 HA3 GLY 39 7.986 -12.048 -12.785 552 HA3 GLY 39 HA3 GLY 39 9.746 -11.634 -12.063 Start of MODEL 13 1 H1 SER 5 H SER 5 -0.481 0.164 -2.223 2 H1 SER 5 H SER 5 1.332 1.431 -2.629 3 HA SER 5 HA SER 5 1.993 0.135 -1.318 4 HA SER 5 HA SER 5 2.952 0.094 -1.531 5 HB2 SER 5 HB2 SER 5 1.162 -0.348 0.748 6 HB2 SER 5 HB2 SER 5 1.850 1.415 0.143 7 HB3 SER 5 HB3 SER 5 -0.387 -0.219 -0.085 8 HB3 SER 5 HB3 SER 5 0.473 0.314 0.188 9 HG SER 5 HG SER 5 -0.453 -2.439 -0.266 10 HG SER 5 HG SER 5 2.455 0.215 1.781 11 H LYS 6 H LYS 6 0.325 -2.782 -2.388 12 H LYS 6 H LYS 6 3.260 -1.821 -2.664 13 HA LYS 6 HA LYS 6 2.119 -4.729 -1.615 14 HA LYS 6 HA LYS 6 2.481 -4.195 -1.314 15 HB2 LYS 6 HB2 LYS 6 1.279 -6.059 -3.502 16 HB2 LYS 6 HB2 LYS 6 1.337 -5.204 -3.370 17 HB3 LYS 6 HB3 LYS 6 -0.029 -5.246 -2.652 18 HB3 LYS 6 HB3 LYS 6 0.397 -4.083 -2.395 19 HG2 LYS 6 HG2 LYS 6 0.520 -3.418 -4.559 20 HG2 LYS 6 HG2 LYS 6 0.961 -2.286 -4.008 21 HG3 LYS 6 HG3 LYS 6 0.939 -4.909 -5.406 22 HG3 LYS 6 HG3 LYS 6 1.760 -3.497 -5.014 23 HD2 LYS 6 HD2 LYS 6 -1.306 -4.707 -5.901 24 HD2 LYS 6 HD2 LYS 6 -0.477 -3.112 -5.839 25 HD3 LYS 6 HD3 LYS 6 -1.351 -5.749 -4.477 26 HD3 LYS 6 HD3 LYS 6 -0.376 -4.735 -5.154 27 HE2 LYS 6 HE2 LYS 6 -2.371 -4.190 -3.221 28 HE2 LYS 6 HE2 LYS 6 -1.139 -2.845 -3.129 29 HE3 LYS 6 HE3 LYS 6 -1.394 -2.879 -3.880 30 HE3 LYS 6 HE3 LYS 6 -2.213 -2.708 -4.520 31 HZ1 LYS 6 HZ1 LYS 6 -3.613 -4.145 -5.382 32 HZ1 LYS 6 HZ1 LYS 6 -1.822 -4.952 -2.687 33 HZ2 LYS 6 HZ2 LYS 6 -3.827 -2.784 -4.400 34 HZ2 LYS 6 HZ2 LYS 6 -3.245 -4.367 -3.390 35 HZ3 LYS 6 HZ3 LYS 6 -2.804 -2.704 -5.746 36 HZ3 LYS 6 HZ3 LYS 6 -2.180 -5.315 -4.301 37 H LEU 7 H LEU 7 4.194 -5.066 -2.031 38 H LEU 7 H LEU 7 4.899 -3.860 -1.463 39 HA LEU 7 HA LEU 7 5.301 -4.707 -4.653 40 HA LEU 7 HA LEU 7 5.896 -5.272 -3.843 41 HB2 LEU 7 HB2 LEU 7 5.468 -2.562 -2.774 42 HB2 LEU 7 HB2 LEU 7 7.381 -3.077 -2.413 43 HB3 LEU 7 HB3 LEU 7 7.080 -3.222 -3.036 44 HB3 LEU 7 HB3 LEU 7 7.880 -3.922 -3.877 45 HG LEU 7 HG LEU 7 6.365 -2.970 -5.578 46 HG LEU 7 HG LEU 7 5.661 -1.908 -3.575 47 HD11 LEU 7 HD11 LEU 7 4.329 -2.039 -5.721 48 HD11 LEU 7 HD11 LEU 7 6.944 -0.504 -4.883 49 HD12 LEU 7 HD12 LEU 7 4.391 -1.403 -4.078 50 HD12 LEU 7 HD12 LEU 7 8.162 -1.295 -3.880 51 HD13 LEU 7 HD13 LEU 7 5.189 -0.536 -5.389 52 HD13 LEU 7 HD13 LEU 7 7.908 -1.825 -5.543 53 HD21 LEU 7 HD21 LEU 7 8.312 -1.910 -4.911 54 HD21 LEU 7 HD21 LEU 7 5.928 -2.540 -6.266 55 HD22 LEU 7 HD22 LEU 7 7.283 -0.555 -5.373 56 HD22 LEU 7 HD22 LEU 7 5.909 -4.101 -5.445 57 HD23 LEU 7 HD23 LEU 7 7.494 -0.962 -3.671 58 HD23 LEU 7 HD23 LEU 7 4.581 -2.963 -5.210 59 HA PRO 8 HA PRO 8 7.915 -7.918 -3.178 60 HA PRO 8 HA PRO 8 7.829 -8.054 -1.048 61 HB2 PRO 8 HB2 PRO 8 9.991 -7.666 -4.909 62 HB2 PRO 8 HB2 PRO 8 10.008 -8.794 -2.489 63 HB3 PRO 8 HB3 PRO 8 8.421 -8.327 -5.382 64 HB3 PRO 8 HB3 PRO 8 8.369 -9.326 -2.883 65 HG2 PRO 8 HG2 PRO 8 9.512 -5.567 -5.778 66 HG2 PRO 8 HG2 PRO 8 9.991 -7.122 -4.098 67 HG3 PRO 8 HG3 PRO 8 8.605 -6.587 -6.913 68 HG3 PRO 8 HG3 PRO 8 8.971 -8.331 -4.898 69 HD2 PRO 8 HD2 PRO 8 7.447 -4.581 -5.511 70 HD2 PRO 8 HD2 PRO 8 8.142 -5.792 -4.452 71 HD3 PRO 8 HD3 PRO 8 6.575 -6.061 -5.958 72 HD3 PRO 8 HD3 PRO 8 7.029 -7.174 -4.448 73 HA PRO 9 HA PRO 9 10.814 -6.133 -0.373 74 HA PRO 9 HA PRO 9 11.069 -6.197 1.273 75 HB2 PRO 9 HB2 PRO 9 12.310 -8.332 0.169 76 HB2 PRO 9 HB2 PRO 9 12.643 -8.299 1.960 77 HB3 PRO 9 HB3 PRO 9 10.673 -8.105 0.797 78 HB3 PRO 9 HB3 PRO 9 11.040 -8.033 2.653 79 HG2 PRO 9 HG2 PRO 9 11.595 -9.717 -1.551 80 HG2 PRO 9 HG2 PRO 9 11.865 -9.873 0.442 81 HG3 PRO 9 HG3 PRO 9 10.407 -10.136 -0.303 82 HG3 PRO 9 HG3 PRO 9 10.759 -10.176 1.794 83 HD2 PRO 9 HD2 PRO 9 9.688 -9.265 -2.765 84 HD2 PRO 9 HD2 PRO 9 9.884 -9.588 -0.700 85 HD3 PRO 9 HD3 PRO 9 8.730 -8.917 -1.311 86 HD3 PRO 9 HD3 PRO 9 9.001 -9.101 0.761 87 H GLY 10 H GLY 10 12.670 -5.024 -0.577 88 H GLY 10 H GLY 10 12.381 -4.860 0.146 89 HA2 GLY 10 HA2 GLY 10 15.001 -4.893 -1.147 90 HA2 GLY 10 HA2 GLY 10 14.856 -4.797 -0.355 91 HA3 GLY 10 HA3 GLY 10 14.701 -6.013 -2.467 92 HA3 GLY 10 HA3 GLY 10 14.509 -6.093 -1.489 93 H TRP 11 H TRP 11 12.267 -4.578 -3.304 94 H TRP 11 H TRP 11 11.905 -4.781 -2.188 95 HA TRP 11 HA TRP 11 13.595 -2.591 -4.943 96 HA TRP 11 HA TRP 11 13.010 -2.997 -4.206 97 HB2 TRP 11 HB2 TRP 11 10.782 -3.692 -4.940 98 HB2 TRP 11 HB2 TRP 11 10.373 -4.389 -3.844 99 HB3 TRP 11 HB3 TRP 11 11.328 -2.434 -6.045 100 HB3 TRP 11 HB3 TRP 11 10.527 -3.054 -4.983 101 HD1 TRP 11 HD1 TRP 11 11.489 -6.171 -5.460 102 HD1 TRP 11 HD1 TRP 11 11.856 -6.618 -4.375 103 HE1 TRP 11 HE1 TRP 11 12.645 -7.294 -7.467 104 HE1 TRP 11 HE1 TRP 11 12.701 -7.558 -6.617 105 HE3 TRP 11 HE3 TRP 11 13.167 -1.989 -7.872 106 HE3 TRP 11 HE3 TRP 11 11.351 -2.425 -7.256 107 HZ2 TRP 11 HZ2 TRP 11 14.079 -6.509 -9.768 108 HZ2 TRP 11 HZ2 TRP 11 13.102 -6.643 -9.257 109 HZ3 TRP 11 HZ3 TRP 11 14.423 -2.261 -9.970 110 HZ3 TRP 11 HZ3 TRP 11 11.988 -2.541 -9.630 111 HH2 TRP 11 HH2 TRP 11 14.869 -4.476 -10.896 112 HH2 TRP 11 HH2 TRP 11 12.846 -4.608 -10.608 113 H GLU 12 H GLU 12 12.926 -0.411 -5.136 114 H GLU 12 H GLU 12 12.237 -0.885 -4.584 115 HA GLU 12 HA GLU 12 11.275 0.621 -2.937 116 HA GLU 12 HA GLU 12 10.501 0.334 -2.596 117 HB2 GLU 12 HB2 GLU 12 13.988 0.811 -2.860 118 HB2 GLU 12 HB2 GLU 12 12.013 1.730 -1.618 119 HB3 GLU 12 HB3 GLU 12 13.575 2.305 -3.688 120 HB3 GLU 12 HB3 GLU 12 13.098 0.397 -1.988 121 HG2 GLU 12 HG2 GLU 12 11.898 2.655 -1.772 122 HG2 GLU 12 HG2 GLU 12 13.749 1.549 -4.071 123 HG3 GLU 12 HG3 GLU 12 12.830 1.417 -0.933 124 HG3 GLU 12 HG3 GLU 12 12.732 2.910 -3.600 125 H LYS 13 H LYS 13 9.639 1.701 -3.791 126 H LYS 13 H LYS 13 9.315 1.968 -3.418 127 HA LYS 13 HA LYS 13 9.750 2.706 -6.493 128 HA LYS 13 HA LYS 13 9.690 2.596 -6.238 129 HB2 LYS 13 HB2 LYS 13 7.695 1.690 -5.812 130 HB2 LYS 13 HB2 LYS 13 7.452 1.932 -5.196 131 HB3 LYS 13 HB3 LYS 13 7.594 2.708 -4.381 132 HB3 LYS 13 HB3 LYS 13 7.437 3.533 -4.468 133 HG2 LYS 13 HG2 LYS 13 6.918 4.558 -5.580 134 HG2 LYS 13 HG2 LYS 13 7.766 4.393 -6.871 135 HG3 LYS 13 HG3 LYS 13 7.597 3.954 -7.094 136 HG3 LYS 13 HG3 LYS 13 7.252 2.776 -7.356 137 HD2 LYS 13 HD2 LYS 13 5.814 2.530 -7.476 138 HD2 LYS 13 HD2 LYS 13 5.472 3.757 -5.349 139 HD3 LYS 13 HD3 LYS 13 5.362 2.472 -5.771 140 HD3 LYS 13 HD3 LYS 13 5.639 4.976 -6.615 141 HE2 LYS 13 HE2 LYS 13 4.163 4.400 -5.883 142 HE2 LYS 13 HE2 LYS 13 5.375 2.772 -8.129 143 HE3 LYS 13 HE3 LYS 13 5.208 5.106 -7.115 144 HE3 LYS 13 HE3 LYS 13 4.447 2.274 -6.715 145 HZ1 LYS 13 HZ1 LYS 13 3.043 3.119 -7.490 146 HZ1 LYS 13 HZ1 LYS 13 3.232 3.488 -8.583 147 HZ2 LYS 13 HZ2 LYS 13 3.158 4.672 -8.152 148 HZ2 LYS 13 HZ2 LYS 13 2.944 4.003 -6.997 149 HZ3 LYS 13 HZ3 LYS 13 4.193 3.445 -8.687 150 HZ3 LYS 13 HZ3 LYS 13 3.978 4.890 -8.001 151 H ARG 14 H ARG 14 11.227 4.392 -6.483 152 H ARG 14 H ARG 14 10.170 4.587 -7.037 153 HA ARG 14 HA ARG 14 10.595 6.697 -4.775 154 HA ARG 14 HA ARG 14 10.504 6.788 -5.118 155 HB2 ARG 14 HB2 ARG 14 13.103 6.165 -6.376 156 HB2 ARG 14 HB2 ARG 14 12.501 5.723 -7.092 157 HB3 ARG 14 HB3 ARG 14 12.851 7.482 -5.239 158 HB3 ARG 14 HB3 ARG 14 12.551 7.407 -6.588 159 HG2 ARG 14 HG2 ARG 14 12.505 4.717 -4.230 160 HG2 ARG 14 HG2 ARG 14 12.347 5.921 -4.228 161 HG3 ARG 14 HG3 ARG 14 14.144 5.268 -4.581 162 HG3 ARG 14 HG3 ARG 14 13.516 5.068 -5.237 163 HD2 ARG 14 HD2 ARG 14 12.160 6.625 -2.759 164 HD2 ARG 14 HD2 ARG 14 15.009 6.546 -4.473 165 HD3 ARG 14 HD3 ARG 14 13.560 5.681 -2.251 166 HD3 ARG 14 HD3 ARG 14 14.237 7.695 -5.566 167 HE ARG 14 HE ARG 14 14.674 7.578 -3.795 168 HE ARG 14 HE ARG 14 13.305 8.756 -3.752 169 HH11 ARG 14 HH11 ARG 14 12.393 7.728 -1.169 170 HH11 ARG 14 HH11 ARG 14 14.636 5.695 -2.763 171 HH12 ARG 14 HH12 ARG 14 12.914 9.291 -0.634 172 HH12 ARG 14 HH12 ARG 14 14.450 6.013 -1.069 173 HH21 ARG 14 HH21 ARG 14 15.368 9.637 -3.100 174 HH21 ARG 14 HH21 ARG 14 13.053 9.187 -1.527 175 HH22 ARG 14 HH22 ARG 14 14.605 10.377 -1.734 176 HH22 ARG 14 HH22 ARG 14 13.547 7.999 -0.369 177 H MET 15 H MET 15 11.133 8.863 -5.863 178 H MET 15 H MET 15 10.568 8.927 -6.132 179 HA MET 15 HA MET 15 9.866 8.868 -8.519 180 HA MET 15 HA MET 15 8.916 8.982 -8.566 181 HB2 MET 15 HB2 MET 15 9.178 10.251 -6.222 182 HB2 MET 15 HB2 MET 15 9.163 10.972 -6.307 183 HB3 MET 15 HB3 MET 15 10.044 11.451 -7.172 184 HB3 MET 15 HB3 MET 15 8.266 11.281 -7.788 185 HG2 MET 15 HG2 MET 15 7.894 11.764 -7.891 186 HG2 MET 15 HG2 MET 15 7.554 8.789 -6.420 187 HG3 MET 15 HG3 MET 15 8.504 10.639 -9.102 188 HG3 MET 15 HG3 MET 15 7.209 10.260 -5.514 189 HE1 MET 15 HE1 MET 15 5.063 10.194 -6.283 190 HE1 MET 15 HE1 MET 15 5.711 11.739 -5.763 191 HE2 MET 15 HE2 MET 15 6.194 11.536 -6.464 192 HE2 MET 15 HE2 MET 15 5.344 12.421 -7.347 193 HE3 MET 15 HE3 MET 15 5.087 11.131 -7.777 194 HE3 MET 15 HE3 MET 15 4.151 11.421 -6.520 195 H SER 16 H SER 16 10.629 10.379 -10.106 196 H SER 16 H SER 16 11.881 8.817 -8.373 197 HA SER 16 HA SER 16 13.386 10.355 -10.484 198 HA SER 16 HA SER 16 13.756 9.767 -9.262 199 HB2 SER 16 HB2 SER 16 11.122 11.853 -11.741 200 HB2 SER 16 HB2 SER 16 12.223 9.403 -11.271 201 HB3 SER 16 HB3 SER 16 12.775 12.327 -12.133 202 HB3 SER 16 HB3 SER 16 11.870 11.130 -11.187 203 HG SER 16 HG SER 16 13.155 10.315 -12.956 204 HG SER 16 HG SER 16 14.424 9.938 -11.539 205 H ARG 17 H ARG 17 14.488 12.637 -11.078 206 H ARG 17 H ARG 17 14.132 12.224 -10.590 207 HA ARG 17 HA ARG 17 15.295 13.784 -8.709 208 HA ARG 17 HA ARG 17 14.531 13.950 -8.394 209 HB2 ARG 17 HB2 ARG 17 16.559 14.064 -10.758 210 HB2 ARG 17 HB2 ARG 17 15.242 15.601 -10.073 211 HB3 ARG 17 HB3 ARG 17 15.255 15.000 -11.475 212 HB3 ARG 17 HB3 ARG 17 15.967 14.024 -10.361 213 HG2 ARG 17 HG2 ARG 17 15.606 16.668 -9.604 214 HG2 ARG 17 HG2 ARG 17 15.106 13.924 -12.400 215 HG3 ARG 17 HG3 ARG 17 17.091 15.791 -9.237 216 HG3 ARG 17 HG3 ARG 17 13.486 14.281 -11.798 217 HD2 ARG 17 HD2 ARG 17 17.997 17.264 -10.685 218 HD2 ARG 17 HD2 ARG 17 14.406 15.923 -13.465 219 HD3 ARG 17 HD3 ARG 17 17.390 16.127 -11.889 220 HD3 ARG 17 HD3 ARG 17 13.854 16.619 -11.943 221 HE ARG 17 HE ARG 17 15.879 17.706 -12.560 222 HE ARG 17 HE ARG 17 16.634 16.023 -11.871 223 HH11 ARG 17 HH11 ARG 17 17.126 18.588 -9.431 224 HH11 ARG 17 HH11 ARG 17 14.310 18.323 -13.067 225 HH12 ARG 17 HH12 ARG 17 16.355 20.139 -9.417 226 HH12 ARG 17 HH12 ARG 17 15.434 19.641 -13.096 227 HH21 ARG 17 HH21 ARG 17 14.859 19.746 -12.553 228 HH21 ARG 17 HH21 ARG 17 18.124 17.751 -11.905 229 HH22 ARG 17 HH22 ARG 17 15.066 20.797 -11.194 230 HH22 ARG 17 HH22 ARG 17 17.604 19.313 -12.437 231 H ASN 18 H ASN 18 13.561 15.794 -11.058 232 H ASN 18 H ASN 18 13.737 16.378 -10.027 233 HA ASN 18 HA ASN 18 11.927 16.841 -8.840 234 HA ASN 18 HA ASN 18 11.133 16.695 -8.827 235 HB2 ASN 18 HB2 ASN 18 13.751 18.394 -9.679 236 HB2 ASN 18 HB2 ASN 18 12.923 18.485 -8.873 237 HB3 ASN 18 HB3 ASN 18 12.869 18.472 -11.201 238 HB3 ASN 18 HB3 ASN 18 12.590 18.667 -10.593 239 HD21 ASN 18 HD21 ASN 18 12.584 19.049 -7.737 240 HD21 ASN 18 HD21 ASN 18 11.198 18.912 -7.380 241 HD22 ASN 18 HD22 ASN 18 11.411 20.312 -7.861 242 HD22 ASN 18 HD22 ASN 18 9.960 20.042 -7.801 243 H SER 19 H SER 19 11.340 14.725 -10.796 244 H SER 19 H SER 19 11.828 15.006 -11.359 245 HA SER 19 HA SER 19 8.951 15.951 -12.004 246 HA SER 19 HA SER 19 10.096 16.212 -13.344 247 HB2 SER 19 HB2 SER 19 9.407 15.134 -14.061 248 HB2 SER 19 HB2 SER 19 10.628 14.144 -14.659 249 HB3 SER 19 HB3 SER 19 11.064 14.990 -13.473 250 HB3 SER 19 HB3 SER 19 12.052 15.058 -14.164 251 HG SER 19 HG SER 19 9.618 13.058 -14.355 252 HG SER 19 HG SER 19 12.655 13.173 -13.431 253 H GLY 20 H GLY 20 7.275 14.252 -12.569 254 H GLY 20 H GLY 20 9.921 13.814 -10.843 255 HA2 GLY 20 HA2 GLY 20 6.993 12.490 -10.250 256 HA2 GLY 20 HA2 GLY 20 7.943 12.992 -9.895 257 HA3 GLY 20 HA3 GLY 20 5.708 12.971 -11.348 258 HA3 GLY 20 HA3 GLY 20 7.057 13.565 -11.299 259 H ARG 21 H ARG 21 8.888 11.500 -11.962 260 H ARG 21 H ARG 21 9.255 12.175 -12.956 261 HA ARG 21 HA ARG 21 7.556 9.474 -13.596 262 HA ARG 21 HA ARG 21 7.877 9.969 -13.781 263 HB2 ARG 21 HB2 ARG 21 9.923 10.945 -13.906 264 HB2 ARG 21 HB2 ARG 21 10.770 10.699 -13.839 265 HB3 ARG 21 HB3 ARG 21 10.443 9.299 -13.568 266 HB3 ARG 21 HB3 ARG 21 10.311 9.070 -14.316 267 HG2 ARG 21 HG2 ARG 21 10.276 9.235 -15.844 268 HG2 ARG 21 HG2 ARG 21 9.120 11.554 -15.522 269 HG3 ARG 21 HG3 ARG 21 8.661 8.689 -15.388 270 HG3 ARG 21 HG3 ARG 21 10.518 10.709 -16.189 271 HD2 ARG 21 HD2 ARG 21 7.899 11.066 -15.594 272 HD2 ARG 21 HD2 ARG 21 7.830 9.433 -15.704 273 HD3 ARG 21 HD3 ARG 21 9.485 11.452 -16.260 274 HD3 ARG 21 HD3 ARG 21 8.346 10.100 -17.252 275 HE ARG 21 HE ARG 21 8.786 10.594 -18.250 276 HE ARG 21 HE ARG 21 10.231 8.217 -16.279 277 HH11 ARG 21 HH11 ARG 21 6.794 9.274 -15.718 278 HH11 ARG 21 HH11 ARG 21 7.099 8.468 -17.780 279 HH12 ARG 21 HH12 ARG 21 5.738 8.437 -16.806 280 HH12 ARG 21 HH12 ARG 21 7.197 6.918 -18.547 281 HH21 ARG 21 HH21 ARG 21 7.404 9.497 -19.694 282 HH21 ARG 21 HH21 ARG 21 10.372 6.174 -17.286 283 HH22 ARG 21 HH22 ARG 21 6.086 8.562 -19.067 284 HH22 ARG 21 HH22 ARG 21 9.059 5.614 -18.265 285 H VAL 22 H VAL 22 6.944 7.722 -12.504 286 H VAL 22 H VAL 22 7.057 8.455 -12.471 287 HA VAL 22 HA VAL 22 8.433 6.807 -10.188 288 HA VAL 22 HA VAL 22 8.360 7.548 -10.100 289 HB VAL 22 HB VAL 22 5.824 6.031 -11.440 290 HB VAL 22 HB VAL 22 5.990 6.414 -11.592 291 HG11 VAL 22 HG11 VAL 22 6.746 3.891 -11.039 292 HG11 VAL 22 HG11 VAL 22 7.060 5.739 -8.853 293 HG12 VAL 22 HG12 VAL 22 7.434 4.395 -9.495 294 HG12 VAL 22 HG12 VAL 22 5.516 5.189 -9.505 295 HG13 VAL 22 HG13 VAL 22 5.687 4.229 -9.671 296 HG13 VAL 22 HG13 VAL 22 7.026 4.677 -10.260 297 HG21 VAL 22 HG21 VAL 22 6.127 7.877 -9.710 298 HG21 VAL 22 HG21 VAL 22 4.656 7.791 -10.400 299 HG22 VAL 22 HG22 VAL 22 4.899 6.658 -9.370 300 HG22 VAL 22 HG22 VAL 22 5.679 7.715 -8.965 301 HG23 VAL 22 HG23 VAL 22 6.462 6.587 -8.555 302 HG23 VAL 22 HG23 VAL 22 6.114 8.778 -10.303 303 H TYR 23 H TYR 23 9.594 4.933 -10.033 304 H TYR 23 H TYR 23 9.379 5.607 -9.685 305 HA TYR 23 HA TYR 23 9.727 3.128 -12.315 306 HA TYR 23 HA TYR 23 9.624 3.511 -11.587 307 HB2 TYR 23 HB2 TYR 23 12.243 3.238 -12.291 308 HB2 TYR 23 HB2 TYR 23 11.736 3.819 -12.472 309 HB3 TYR 23 HB3 TYR 23 11.446 4.677 -12.918 310 HB3 TYR 23 HB3 TYR 23 11.150 5.478 -12.422 311 HD1 TYR 23 HD1 TYR 23 13.491 3.304 -10.225 312 HD1 TYR 23 HD1 TYR 23 11.863 6.949 -10.486 313 HD2 TYR 23 HD2 TYR 23 11.447 6.761 -11.631 314 HD2 TYR 23 HD2 TYR 23 13.678 3.188 -11.303 315 HE1 TYR 23 HE1 TYR 23 14.731 4.686 -8.612 316 HE1 TYR 23 HE1 TYR 23 13.809 7.600 -9.130 317 HE2 TYR 23 HE2 TYR 23 12.682 8.153 -10.023 318 HE2 TYR 23 HE2 TYR 23 15.629 3.828 -9.949 319 HH TYR 23 HH TYR 23 15.404 7.047 -8.345 320 HH TYR 23 HH TYR 23 15.761 6.963 -8.284 321 H TYR 24 H TYR 24 11.691 1.477 -11.672 322 H TYR 24 H TYR 24 11.163 1.825 -10.856 323 HA TYR 24 HA TYR 24 11.165 0.668 -8.888 324 HA TYR 24 HA TYR 24 11.299 1.816 -7.924 325 HB2 TYR 24 HB2 TYR 24 11.127 -0.954 -11.411 326 HB2 TYR 24 HB2 TYR 24 11.517 -0.546 -9.796 327 HB3 TYR 24 HB3 TYR 24 11.535 -1.721 -9.880 328 HB3 TYR 24 HB3 TYR 24 11.307 -0.592 -8.050 329 HD1 TYR 24 HD1 TYR 24 8.891 -0.615 -12.013 330 HD1 TYR 24 HD1 TYR 24 9.655 -0.248 -11.260 331 HD2 TYR 24 HD2 TYR 24 9.848 -1.515 -7.966 332 HD2 TYR 24 HD2 TYR 24 9.136 0.078 -7.049 333 HE1 TYR 24 HE1 TYR 24 6.497 -0.863 -11.509 334 HE1 TYR 24 HE1 TYR 24 7.214 -0.305 -11.562 335 HE2 TYR 24 HE2 TYR 24 7.456 -1.766 -7.450 336 HE2 TYR 24 HE2 TYR 24 6.696 0.019 -7.339 337 HH TYR 24 HH TYR 24 5.008 -1.629 -9.975 338 HH TYR 24 HH TYR 24 5.095 0.718 -9.603 339 H PHE 25 H PHE 25 12.958 0.762 -7.726 340 H PHE 25 H PHE 25 13.166 1.060 -6.850 341 HA PHE 25 HA PHE 25 15.504 0.009 -9.000 342 HA PHE 25 HA PHE 25 15.616 1.026 -8.482 343 HB2 PHE 25 HB2 PHE 25 15.404 2.442 -8.612 344 HB2 PHE 25 HB2 PHE 25 15.201 3.190 -7.177 345 HB3 PHE 25 HB3 PHE 25 15.090 2.153 -6.904 346 HB3 PHE 25 HB3 PHE 25 15.490 2.238 -5.725 347 HD1 PHE 25 HD1 PHE 25 17.590 1.381 -9.554 348 HD1 PHE 25 HD1 PHE 25 17.083 2.806 -9.053 349 HD2 PHE 25 HD2 PHE 25 16.857 2.115 -5.427 350 HD2 PHE 25 HD2 PHE 25 17.607 2.301 -4.859 351 HE1 PHE 25 HE1 PHE 25 20.012 1.347 -9.122 352 HE1 PHE 25 HE1 PHE 25 19.505 3.149 -9.318 353 HE2 PHE 25 HE2 PHE 25 19.278 2.084 -4.988 354 HE2 PHE 25 HE2 PHE 25 20.030 2.643 -5.117 355 HZ PHE 25 HZ PHE 25 20.859 1.700 -6.837 356 HZ PHE 25 HZ PHE 25 20.982 3.069 -7.348 357 H ASN 26 H ASN 26 16.580 -1.586 -8.034 358 H ASN 26 H ASN 26 17.084 -0.522 -8.002 359 HA ASN 26 HA ASN 26 15.683 -2.438 -5.366 360 HA ASN 26 HA ASN 26 16.408 -2.343 -5.790 361 HB2 ASN 26 HB2 ASN 26 15.556 -4.009 -7.404 362 HB2 ASN 26 HB2 ASN 26 16.329 -3.241 -8.154 363 HB3 ASN 26 HB3 ASN 26 17.308 -4.114 -7.269 364 HB3 ASN 26 HB3 ASN 26 18.073 -3.002 -8.224 365 HD21 ASN 26 HD21 ASN 26 15.187 -6.131 -6.902 366 HD21 ASN 26 HD21 ASN 26 16.616 -5.463 -8.467 367 HD22 ASN 26 HD22 ASN 26 15.446 -6.786 -5.324 368 HD22 ASN 26 HD22 ASN 26 17.152 -6.493 -7.187 369 H HIS 27 H HIS 27 17.029 -2.344 -3.683 370 H HIS 27 H HIS 27 17.659 -2.026 -4.075 371 HA HIS 27 HA HIS 27 19.680 -1.256 -4.067 372 HA HIS 27 HA HIS 27 20.376 -1.021 -4.406 373 HB2 HIS 27 HB2 HIS 27 19.739 -1.297 -1.550 374 HB2 HIS 27 HB2 HIS 27 20.349 -0.697 -1.986 375 HB3 HIS 27 HB3 HIS 27 18.424 -0.351 -2.240 376 HB3 HIS 27 HB3 HIS 27 18.919 0.025 -2.716 377 HD1 HIS 27 HD1 HIS 27 18.990 -3.809 -0.773 378 HD1 HIS 27 HD1 HIS 27 16.698 -0.724 -1.839 379 HD2 HIS 27 HD2 HIS 27 15.975 -0.993 -1.265 380 HD2 HIS 27 HD2 HIS 27 19.803 -3.206 -0.630 381 HE1 HIS 27 HE1 HIS 27 17.008 -4.722 0.477 382 HE1 HIS 27 HE1 HIS 27 15.682 -2.308 -0.171 383 H ILE 28 H ILE 28 18.271 -4.341 -3.695 384 H ILE 28 H ILE 28 19.673 -3.757 -5.188 385 HA ILE 28 HA ILE 28 20.598 -5.615 -2.563 386 HA ILE 28 HA ILE 28 21.499 -5.200 -3.380 387 HB ILE 28 HB ILE 28 18.030 -6.702 -3.702 388 HB ILE 28 HB ILE 28 19.346 -6.583 -4.959 389 HG12 ILE 28 HG12 ILE 28 19.197 -6.434 -0.935 390 HG12 ILE 28 HG12 ILE 28 19.160 -5.482 -2.148 391 HG13 ILE 28 HG13 ILE 28 17.686 -5.770 -1.548 392 HG13 ILE 28 HG13 ILE 28 18.188 -4.997 -3.532 393 HG21 ILE 28 HG21 ILE 28 18.765 -8.922 -2.979 394 HG21 ILE 28 HG21 ILE 28 19.797 -8.436 -3.615 395 HG22 ILE 28 HG22 ILE 28 19.818 -8.268 -4.233 396 HG22 ILE 28 HG22 ILE 28 21.390 -7.754 -3.940 397 HG23 ILE 28 HG23 ILE 28 20.342 -8.257 -2.549 398 HG23 ILE 28 HG23 ILE 28 20.607 -7.464 -2.386 399 HD11 ILE 28 HD11 ILE 28 17.010 -7.535 -0.217 400 HD11 ILE 28 HD11 ILE 28 16.692 -6.522 -2.991 401 HD12 ILE 28 HD12 ILE 28 16.980 -8.224 -1.841 402 HD12 ILE 28 HD12 ILE 28 17.897 -7.787 -3.230 403 HD13 ILE 28 HD13 ILE 28 18.326 -8.578 -0.756 404 HD13 ILE 28 HD13 ILE 28 17.697 -7.051 -1.641 405 H THR 29 H THR 29 19.026 -5.493 -5.742 406 H THR 29 H THR 29 20.143 -5.203 -6.674 407 HA THR 29 HA THR 29 21.315 -6.887 -6.924 408 HA THR 29 HA THR 29 22.758 -6.158 -7.646 409 HB THR 29 HB THR 29 19.852 -6.760 -9.035 410 HB THR 29 HB THR 29 21.696 -7.321 -9.430 411 HG1 THR 29 HG1 THR 29 17.656 -6.389 -8.647 412 HG1 THR 29 HG1 THR 29 19.828 -6.674 -10.169 413 HG21 THR 29 HG21 THR 29 18.313 -8.606 -8.091 414 HG21 THR 29 HG21 THR 29 20.168 -7.764 -6.864 415 HG22 THR 29 HG22 THR 29 20.056 -8.872 -8.058 416 HG22 THR 29 HG22 THR 29 20.160 -8.870 -8.237 417 HG23 THR 29 HG23 THR 29 19.211 -8.379 -6.591 418 HG23 THR 29 HG23 THR 29 21.660 -8.562 -7.361 419 H ASN 30 H ASN 30 20.139 -3.754 -6.435 420 H ASN 30 H ASN 30 21.839 -3.388 -7.219 421 HA ASN 30 HA ASN 30 20.864 -1.706 -7.110 422 HA ASN 30 HA ASN 30 21.424 -1.423 -8.405 423 HB2 ASN 30 HB2 ASN 30 23.121 -3.174 -7.034 424 HB2 ASN 30 HB2 ASN 30 24.042 -2.389 -8.495 425 HB3 ASN 30 HB3 ASN 30 23.097 -2.767 -8.748 426 HB3 ASN 30 HB3 ASN 30 23.714 -1.845 -10.137 427 HD21 ASN 30 HD21 ASN 30 21.944 -0.246 -8.612 428 HD21 ASN 30 HD21 ASN 30 21.928 0.234 -9.513 429 HD22 ASN 30 HD22 ASN 30 23.049 0.829 -7.833 430 HD22 ASN 30 HD22 ASN 30 22.823 1.496 -8.744 431 H ALA 31 H ALA 31 19.337 -3.728 -8.917 432 H ALA 31 H ALA 31 19.504 -2.036 -9.555 433 HA ALA 31 HA ALA 31 19.841 -2.621 -11.554 434 HA ALA 31 HA ALA 31 19.812 -1.802 -12.396 435 HB1 ALA 31 HB1 ALA 31 18.113 -4.185 -12.309 436 HB1 ALA 31 HB1 ALA 31 18.751 -3.872 -13.041 437 HB2 ALA 31 HB2 ALA 31 19.352 -4.998 -11.353 438 HB2 ALA 31 HB2 ALA 31 20.187 -4.224 -12.080 439 HB3 ALA 31 HB3 ALA 31 17.785 -4.628 -10.633 440 HB3 ALA 31 HB3 ALA 31 18.587 -4.352 -11.351 441 H SER 32 H SER 32 18.119 -1.676 -12.841 442 H SER 32 H SER 32 18.096 -0.779 -13.246 443 HA SER 32 HA SER 32 15.993 -0.391 -11.277 444 HA SER 32 HA SER 32 15.703 -0.514 -11.550 445 HB2 SER 32 HB2 SER 32 18.250 0.981 -12.062 446 HB2 SER 32 HB2 SER 32 15.322 1.632 -12.776 447 HB3 SER 32 HB3 SER 32 17.116 1.335 -13.365 448 HB3 SER 32 HB3 SER 32 16.818 1.612 -11.844 449 HG SER 32 HG SER 32 16.779 2.853 -11.794 450 HG SER 32 HG SER 32 16.568 2.159 -14.379 451 H GLN 33 H GLN 33 14.122 0.138 -12.437 452 H GLN 33 H GLN 33 13.760 -1.088 -12.329 453 HA GLN 33 HA GLN 33 13.915 -0.249 -15.258 454 HA GLN 33 HA GLN 33 13.545 -1.720 -15.196 455 HB2 GLN 33 HB2 GLN 33 12.322 -2.165 -15.136 456 HB2 GLN 33 HB2 GLN 33 13.796 -3.760 -13.720 457 HB3 GLN 33 HB3 GLN 33 13.973 -2.585 -14.702 458 HB3 GLN 33 HB3 GLN 33 12.246 -3.339 -13.004 459 HG2 GLN 33 HG2 GLN 33 13.354 -2.421 -12.321 460 HG2 GLN 33 HG2 GLN 33 11.070 -3.997 -14.816 461 HG3 GLN 33 HG3 GLN 33 11.690 -2.100 -12.802 462 HG3 GLN 33 HG3 GLN 33 12.334 -3.519 -15.948 463 HE21 GLN 33 HE21 GLN 33 10.398 -3.759 -13.408 464 HE21 GLN 33 HE21 GLN 33 11.083 -6.039 -13.945 465 HE22 GLN 33 HE22 GLN 33 10.878 -5.418 -13.382 466 HE22 GLN 33 HE22 GLN 33 12.114 -7.299 -14.521 467 H PHE 34 H PHE 34 11.210 -0.815 -15.464 468 H PHE 34 H PHE 34 11.956 -0.655 -16.159 469 HA PHE 34 HA PHE 34 9.874 1.200 -13.806 470 HA PHE 34 HA PHE 34 9.976 0.732 -14.548 471 HB2 PHE 34 HB2 PHE 34 9.707 1.100 -16.825 472 HB2 PHE 34 HB2 PHE 34 10.969 0.934 -17.345 473 HB3 PHE 34 HB3 PHE 34 8.792 2.183 -15.780 474 HB3 PHE 34 HB3 PHE 34 9.319 1.462 -17.035 475 HD1 PHE 34 HD1 PHE 34 12.155 1.361 -17.035 476 HD1 PHE 34 HD1 PHE 34 12.846 2.168 -16.533 477 HD2 PHE 34 HD2 PHE 34 9.758 4.166 -14.913 478 HD2 PHE 34 HD2 PHE 34 8.879 3.353 -15.545 479 HE1 PHE 34 HE1 PHE 34 13.980 3.007 -17.157 480 HE1 PHE 34 HE1 PHE 34 13.698 4.329 -15.722 481 HE2 PHE 34 HE2 PHE 34 11.578 5.816 -15.032 482 HE2 PHE 34 HE2 PHE 34 9.723 5.517 -14.734 483 HZ PHE 34 HZ PHE 34 13.693 5.239 -16.155 484 HZ PHE 34 HZ PHE 34 12.135 6.008 -14.822 485 H GLU 35 H GLU 35 9.524 -1.372 -16.216 486 H GLU 35 H GLU 35 9.480 -1.872 -14.262 487 HA GLU 35 HA GLU 35 6.763 -1.786 -15.893 488 HA GLU 35 HA GLU 35 6.922 -2.176 -15.611 489 HB2 GLU 35 HB2 GLU 35 9.017 -3.479 -16.915 490 HB2 GLU 35 HB2 GLU 35 9.277 -3.832 -16.178 491 HB3 GLU 35 HB3 GLU 35 7.414 -4.172 -16.720 492 HB3 GLU 35 HB3 GLU 35 7.846 -4.759 -15.750 493 HG2 GLU 35 HG2 GLU 35 7.915 -3.349 -19.010 494 HG2 GLU 35 HG2 GLU 35 8.117 -2.768 -17.987 495 HG3 GLU 35 HG3 GLU 35 6.473 -2.645 -18.279 496 HG3 GLU 35 HG3 GLU 35 7.937 -4.516 -18.127 497 H ARG 36 H ARG 36 5.575 -2.979 -14.498 498 H ARG 36 H ARG 36 5.462 -3.523 -14.512 499 HA ARG 36 HA ARG 36 6.441 -3.476 -11.927 500 HA ARG 36 HA ARG 36 5.488 -3.467 -11.770 501 HB2 ARG 36 HB2 ARG 36 4.079 -3.348 -12.522 502 HB2 ARG 36 HB2 ARG 36 3.472 -3.934 -13.058 503 HB3 ARG 36 HB3 ARG 36 4.208 -4.845 -13.435 504 HB3 ARG 36 HB3 ARG 36 4.125 -5.487 -13.558 505 HG2 ARG 36 HG2 ARG 36 4.783 -6.023 -11.333 506 HG2 ARG 36 HG2 ARG 36 2.608 -5.978 -11.846 507 HG3 ARG 36 HG3 ARG 36 4.502 -4.516 -10.458 508 HG3 ARG 36 HG3 ARG 36 4.200 -6.083 -11.092 509 HD2 ARG 36 HD2 ARG 36 2.190 -4.483 -11.264 510 HD2 ARG 36 HD2 ARG 36 3.925 -3.820 -10.202 511 HD3 ARG 36 HD3 ARG 36 2.474 -5.987 -12.138 512 HD3 ARG 36 HD3 ARG 36 2.336 -3.715 -10.960 513 HE ARG 36 HE ARG 36 2.236 -7.133 -10.171 514 HE ARG 36 HE ARG 36 1.474 -5.007 -9.269 515 HH11 ARG 36 HH11 ARG 36 2.734 -3.759 -9.473 516 HH11 ARG 36 HH11 ARG 36 4.952 -5.140 -9.177 517 HH12 ARG 36 HH12 ARG 36 2.408 -3.927 -7.779 518 HH12 ARG 36 HH12 ARG 36 5.010 -5.959 -7.651 519 HH21 ARG 36 HH21 ARG 36 1.805 -7.367 -7.944 520 HH21 ARG 36 HH21 ARG 36 1.538 -6.086 -7.261 521 HH22 ARG 36 HH22 ARG 36 1.880 -5.980 -6.911 522 HH22 ARG 36 HH22 ARG 36 3.068 -6.497 -6.562 523 HA PRO 37 HA PRO 37 9.028 -7.051 -12.625 524 HA PRO 37 HA PRO 37 8.746 -6.498 -11.071 525 HB2 PRO 37 HB2 PRO 37 9.818 -7.305 -10.040 526 HB2 PRO 37 HB2 PRO 37 9.044 -5.899 -8.440 527 HB3 PRO 37 HB3 PRO 37 10.495 -6.096 -11.136 528 HB3 PRO 37 HB3 PRO 37 9.759 -4.929 -9.733 529 HG2 PRO 37 HG2 PRO 37 8.374 -5.783 -9.047 530 HG2 PRO 37 HG2 PRO 37 7.250 -4.449 -8.172 531 HG3 PRO 37 HG3 PRO 37 9.738 -4.715 -9.426 532 HG3 PRO 37 HG3 PRO 37 8.512 -3.296 -8.644 533 HD2 PRO 37 HD2 PRO 37 7.217 -4.218 -10.281 534 HD2 PRO 37 HD2 PRO 37 6.164 -3.511 -9.975 535 HD3 PRO 37 HD3 PRO 37 8.652 -3.756 -11.219 536 HD3 PRO 37 HD3 PRO 37 7.681 -3.070 -10.783 537 H SER 38 H SER 38 6.871 -8.154 -13.032 538 H SER 38 H SER 38 7.518 -8.377 -11.299 539 HA SER 38 HA SER 38 5.917 -9.689 -10.729 540 HA SER 38 HA SER 38 6.570 -9.510 -8.790 541 HB2 SER 38 HB2 SER 38 3.984 -10.220 -12.034 542 HB2 SER 38 HB2 SER 38 4.575 -8.475 -9.887 543 HB3 SER 38 HB3 SER 38 4.303 -8.503 -12.277 544 HB3 SER 38 HB3 SER 38 4.833 -9.541 -11.269 545 HG SER 38 HG SER 38 5.590 -9.394 -14.184 546 HG SER 38 HG SER 38 3.586 -10.064 -8.959 547 H GLY 39 H GLY 39 8.458 -10.387 -11.534 548 H GLY 39 H GLY 39 8.859 -10.300 -9.738 549 HA2 GLY 39 HA2 GLY 39 8.104 -13.174 -12.092 550 HA2 GLY 39 HA2 GLY 39 8.989 -12.929 -9.941 551 HA3 GLY 39 HA3 GLY 39 8.815 -12.317 -13.452 552 HA3 GLY 39 HA3 GLY 39 8.484 -12.539 -11.578 Start of MODEL 14 1 H1 SER 5 H SER 5 2.190 -0.919 0.950 2 H1 SER 5 H SER 5 2.009 -1.025 0.607 3 HA SER 5 HA SER 5 0.854 -0.525 -1.605 4 HA SER 5 HA SER 5 2.222 -0.327 -2.056 5 HB2 SER 5 HB2 SER 5 2.926 1.201 -0.797 6 HB2 SER 5 HB2 SER 5 4.181 1.042 -0.905 7 HB3 SER 5 HB3 SER 5 3.650 0.092 -1.962 8 HB3 SER 5 HB3 SER 5 5.028 -0.497 -1.045 9 HG SER 5 HG SER 5 2.485 0.944 -3.505 10 HG SER 5 HG SER 5 5.080 1.132 -2.876 11 H LYS 6 H LYS 6 0.655 -2.641 -2.070 12 H LYS 6 H LYS 6 1.755 -2.267 -2.835 13 HA LYS 6 HA LYS 6 2.333 -4.720 -1.385 14 HA LYS 6 HA LYS 6 2.600 -4.687 -1.540 15 HB2 LYS 6 HB2 LYS 6 1.331 -5.938 -3.320 16 HB2 LYS 6 HB2 LYS 6 1.330 -4.481 -4.265 17 HB3 LYS 6 HB3 LYS 6 0.145 -5.163 -2.278 18 HB3 LYS 6 HB3 LYS 6 1.268 -5.832 -3.139 19 HG2 LYS 6 HG2 LYS 6 0.166 -3.238 -3.927 20 HG2 LYS 6 HG2 LYS 6 -0.110 -4.521 -1.621 21 HG3 LYS 6 HG3 LYS 6 1.062 -4.310 -5.005 22 HG3 LYS 6 HG3 LYS 6 -0.026 -3.143 -2.722 23 HD2 LYS 6 HD2 LYS 6 -1.259 -4.458 -5.573 24 HD2 LYS 6 HD2 LYS 6 -1.957 -3.973 -3.530 25 HD3 LYS 6 HD3 LYS 6 -0.796 -5.965 -4.780 26 HD3 LYS 6 HD3 LYS 6 -0.902 -5.093 -4.394 27 HE2 LYS 6 HE2 LYS 6 -1.770 -3.895 -2.953 28 HE2 LYS 6 HE2 LYS 6 -1.097 -6.571 -2.304 29 HE3 LYS 6 HE3 LYS 6 -2.966 -4.437 -4.128 30 HE3 LYS 6 HE3 LYS 6 -2.460 -5.542 -1.867 31 HZ1 LYS 6 HZ1 LYS 6 -3.230 -6.322 -3.019 32 HZ1 LYS 6 HZ1 LYS 6 -3.585 -7.070 -3.056 33 HZ2 LYS 6 HZ2 LYS 6 -1.569 -6.643 -3.016 34 HZ2 LYS 6 HZ2 LYS 6 -3.092 -6.130 -4.374 35 HZ3 LYS 6 HZ3 LYS 6 -2.252 -5.699 -1.788 36 HZ3 LYS 6 HZ3 LYS 6 -2.241 -7.536 -3.971 37 H LEU 7 H LEU 7 4.439 -4.897 -1.764 38 H LEU 7 H LEU 7 4.795 -4.920 -1.648 39 HA LEU 7 HA LEU 7 5.424 -4.749 -4.483 40 HA LEU 7 HA LEU 7 5.867 -5.670 -4.241 41 HB2 LEU 7 HB2 LEU 7 5.800 -2.600 -2.612 42 HB2 LEU 7 HB2 LEU 7 7.189 -3.557 -2.546 43 HB3 LEU 7 HB3 LEU 7 7.352 -3.325 -3.023 44 HB3 LEU 7 HB3 LEU 7 7.842 -4.255 -4.026 45 HG LEU 7 HG LEU 7 6.549 -3.020 -5.478 46 HG LEU 7 HG LEU 7 5.314 -2.615 -3.881 47 HD11 LEU 7 HD11 LEU 7 5.222 -0.675 -5.290 48 HD11 LEU 7 HD11 LEU 7 7.253 -1.259 -3.302 49 HD12 LEU 7 HD12 LEU 7 4.444 -2.235 -5.555 50 HD12 LEU 7 HD12 LEU 7 8.088 -1.814 -4.751 51 HD13 LEU 7 HD13 LEU 7 4.524 -1.556 -3.930 52 HD13 LEU 7 HD13 LEU 7 6.634 -0.827 -4.895 53 HD21 LEU 7 HD21 LEU 7 7.509 -0.843 -3.642 54 HD21 LEU 7 HD21 LEU 7 5.754 -4.369 -5.751 55 HD22 LEU 7 HD22 LEU 7 8.453 -1.857 -4.733 56 HD22 LEU 7 HD22 LEU 7 5.210 -2.748 -6.184 57 HD23 LEU 7 HD23 LEU 7 7.380 -0.620 -5.387 58 HD23 LEU 7 HD23 LEU 7 6.912 -3.180 -6.343 59 HA PRO 8 HA PRO 8 8.018 -8.009 -3.099 60 HA PRO 8 HA PRO 8 7.982 -8.704 -1.873 61 HB2 PRO 8 HB2 PRO 8 10.129 -7.735 -4.784 62 HB2 PRO 8 HB2 PRO 8 10.171 -9.132 -3.421 63 HB3 PRO 8 HB3 PRO 8 8.557 -8.350 -5.307 64 HB3 PRO 8 HB3 PRO 8 8.553 -9.686 -3.870 65 HG2 PRO 8 HG2 PRO 8 9.704 -5.599 -5.587 66 HG2 PRO 8 HG2 PRO 8 10.046 -7.259 -4.787 67 HG3 PRO 8 HG3 PRO 8 8.800 -6.560 -6.772 68 HG3 PRO 8 HG3 PRO 8 9.073 -8.398 -5.735 69 HD2 PRO 8 HD2 PRO 8 7.653 -4.583 -5.320 70 HD2 PRO 8 HD2 PRO 8 8.131 -5.987 -4.939 71 HD3 PRO 8 HD3 PRO 8 6.762 -6.032 -5.835 72 HD3 PRO 8 HD3 PRO 8 7.085 -7.411 -5.113 73 HA PRO 9 HA PRO 9 10.906 -6.389 -0.186 74 HA PRO 9 HA PRO 9 11.188 -7.046 0.639 75 HB2 PRO 9 HB2 PRO 9 12.371 -8.626 0.278 76 HB2 PRO 9 HB2 PRO 9 12.912 -9.119 0.950 77 HB3 PRO 9 HB3 PRO 9 10.729 -8.410 0.893 78 HB3 PRO 9 HB3 PRO 9 11.317 -9.074 1.710 79 HG2 PRO 9 HG2 PRO 9 11.666 -9.924 -1.513 80 HG2 PRO 9 HG2 PRO 9 12.188 -10.483 -0.783 81 HG3 PRO 9 HG3 PRO 9 10.458 -10.387 -0.300 82 HG3 PRO 9 HG3 PRO 9 11.147 -11.069 0.526 83 HD2 PRO 9 HD2 PRO 9 9.781 -9.399 -2.729 84 HD2 PRO 9 HD2 PRO 9 10.159 -10.156 -1.824 85 HD3 PRO 9 HD3 PRO 9 8.807 -9.106 -1.274 86 HD3 PRO 9 HD3 PRO 9 9.292 -9.965 -0.286 87 H GLY 10 H GLY 10 12.336 -4.949 -0.991 88 H GLY 10 H GLY 10 12.633 -5.561 0.043 89 HA2 GLY 10 HA2 GLY 10 14.833 -4.884 -1.309 90 HA2 GLY 10 HA2 GLY 10 14.853 -4.990 -0.625 91 HA3 GLY 10 HA3 GLY 10 14.553 -6.002 -2.635 92 HA3 GLY 10 HA3 GLY 10 14.851 -6.377 -1.703 93 H TRP 11 H TRP 11 12.162 -4.723 -3.597 94 H TRP 11 H TRP 11 12.093 -4.278 -1.593 95 HA TRP 11 HA TRP 11 13.429 -2.599 -5.109 96 HA TRP 11 HA TRP 11 12.979 -2.909 -4.033 97 HB2 TRP 11 HB2 TRP 11 10.734 -3.945 -5.322 98 HB2 TRP 11 HB2 TRP 11 10.410 -4.456 -3.685 99 HB3 TRP 11 HB3 TRP 11 11.225 -2.607 -6.357 100 HB3 TRP 11 HB3 TRP 11 10.643 -3.262 -4.958 101 HD1 TRP 11 HD1 TRP 11 11.681 -6.330 -5.876 102 HD1 TRP 11 HD1 TRP 11 12.025 -6.674 -3.802 103 HE1 TRP 11 HE1 TRP 11 13.077 -7.272 -7.822 104 HE1 TRP 11 HE1 TRP 11 13.047 -7.859 -5.845 105 HE3 TRP 11 HE3 TRP 11 13.163 -1.930 -8.019 106 HE3 TRP 11 HE3 TRP 11 11.561 -2.917 -7.239 107 HZ2 TRP 11 HZ2 TRP 11 14.603 -6.282 -9.980 108 HZ2 TRP 11 HZ2 TRP 11 13.584 -7.279 -8.555 109 HZ3 TRP 11 HZ3 TRP 11 14.590 -2.016 -10.021 110 HZ3 TRP 11 HZ3 TRP 11 12.353 -3.313 -9.534 111 HH2 TRP 11 HH2 TRP 11 15.294 -4.148 -10.980 112 HH2 TRP 11 HH2 TRP 11 13.345 -5.450 -10.177 113 H GLU 12 H GLU 12 12.827 -0.458 -5.136 114 H GLU 12 H GLU 12 12.036 -0.884 -4.399 115 HA GLU 12 HA GLU 12 10.825 0.387 -3.153 116 HA GLU 12 HA GLU 12 10.059 0.143 -2.557 117 HB2 GLU 12 HB2 GLU 12 13.634 0.849 -3.050 118 HB2 GLU 12 HB2 GLU 12 11.472 2.016 -1.785 119 HB3 GLU 12 HB3 GLU 12 12.845 2.387 -3.368 120 HB3 GLU 12 HB3 GLU 12 12.072 0.456 -1.240 121 HG2 GLU 12 HG2 GLU 12 11.840 2.455 -1.340 122 HG2 GLU 12 HG2 GLU 12 13.145 1.788 -3.701 123 HG3 GLU 12 HG3 GLU 12 11.690 0.703 -1.231 124 HG3 GLU 12 HG3 GLU 12 13.768 2.153 -2.093 125 H LYS 13 H LYS 13 9.633 2.214 -3.658 126 H LYS 13 H LYS 13 8.834 1.661 -3.503 127 HA LYS 13 HA LYS 13 9.657 2.934 -6.488 128 HA LYS 13 HA LYS 13 9.450 2.412 -6.230 129 HB2 LYS 13 HB2 LYS 13 7.565 2.242 -5.114 130 HB2 LYS 13 HB2 LYS 13 7.175 1.721 -5.643 131 HB3 LYS 13 HB3 LYS 13 7.627 3.883 -4.487 132 HB3 LYS 13 HB3 LYS 13 7.056 3.046 -4.493 133 HG2 LYS 13 HG2 LYS 13 6.916 4.797 -6.420 134 HG2 LYS 13 HG2 LYS 13 7.712 4.361 -6.787 135 HG3 LYS 13 HG3 LYS 13 7.769 3.617 -7.419 136 HG3 LYS 13 HG3 LYS 13 6.718 3.035 -7.395 137 HD2 LYS 13 HD2 LYS 13 5.730 2.769 -7.808 138 HD2 LYS 13 HD2 LYS 13 5.332 3.921 -5.174 139 HD3 LYS 13 HD3 LYS 13 5.884 2.064 -6.197 140 HD3 LYS 13 HD3 LYS 13 5.950 5.407 -5.897 141 HE2 LYS 13 HE2 LYS 13 4.677 4.769 -6.757 142 HE2 LYS 13 HE2 LYS 13 4.781 5.093 -7.863 143 HE3 LYS 13 HE3 LYS 13 3.741 3.283 -6.592 144 HE3 LYS 13 HE3 LYS 13 4.663 3.349 -7.635 145 HZ1 LYS 13 HZ1 LYS 13 5.199 4.797 -4.542 146 HZ1 LYS 13 HZ1 LYS 13 3.015 5.487 -6.489 147 HZ2 LYS 13 HZ2 LYS 13 3.656 4.106 -4.475 148 HZ2 LYS 13 HZ2 LYS 13 2.545 3.998 -7.142 149 HZ3 LYS 13 HZ3 LYS 13 5.028 3.125 -4.350 150 HZ3 LYS 13 HZ3 LYS 13 3.227 4.066 -5.595 151 H ARG 14 H ARG 14 9.912 5.007 -7.250 152 H ARG 14 H ARG 14 10.589 4.161 -6.708 153 HA ARG 14 HA ARG 14 10.486 7.126 -5.310 154 HA ARG 14 HA ARG 14 10.498 6.452 -4.858 155 HB2 ARG 14 HB2 ARG 14 12.317 6.175 -7.504 156 HB2 ARG 14 HB2 ARG 14 12.714 5.417 -6.617 157 HB3 ARG 14 HB3 ARG 14 12.432 7.799 -6.839 158 HB3 ARG 14 HB3 ARG 14 12.735 7.042 -5.947 159 HG2 ARG 14 HG2 ARG 14 12.413 6.210 -4.595 160 HG2 ARG 14 HG2 ARG 14 12.251 4.860 -4.027 161 HG3 ARG 14 HG3 ARG 14 13.353 5.268 -5.754 162 HG3 ARG 14 HG3 ARG 14 13.859 4.925 -4.751 163 HD2 ARG 14 HD2 ARG 14 14.768 6.765 -4.420 164 HD2 ARG 14 HD2 ARG 14 12.463 7.168 -3.296 165 HD3 ARG 14 HD3 ARG 14 14.823 7.160 -6.137 166 HD3 ARG 14 HD3 ARG 14 13.793 6.191 -2.674 167 HE ARG 14 HE ARG 14 13.829 9.181 -5.680 168 HE ARG 14 HE ARG 14 14.782 7.251 -4.972 169 HH11 ARG 14 HH11 ARG 14 13.636 7.120 -2.882 170 HH11 ARG 14 HH11 ARG 14 13.295 8.588 -2.122 171 HH12 ARG 14 HH12 ARG 14 13.082 8.381 -1.829 172 HH12 ARG 14 HH12 ARG 14 14.165 10.084 -2.212 173 HH21 ARG 14 HH21 ARG 14 13.100 10.849 -4.306 174 HH21 ARG 14 HH21 ARG 14 15.933 9.216 -5.101 175 HH22 ARG 14 HH22 ARG 14 12.777 10.500 -2.641 176 HH22 ARG 14 HH22 ARG 14 15.664 10.441 -3.907 177 H MET 15 H MET 15 10.682 9.291 -6.431 178 H MET 15 H MET 15 10.846 8.588 -5.897 179 HA MET 15 HA MET 15 8.873 9.401 -8.754 180 HA MET 15 HA MET 15 9.709 8.673 -8.612 181 HB2 MET 15 HB2 MET 15 8.886 11.007 -6.227 182 HB2 MET 15 HB2 MET 15 8.460 9.560 -6.296 183 HB3 MET 15 HB3 MET 15 8.294 11.737 -7.713 184 HB3 MET 15 HB3 MET 15 9.122 11.027 -7.003 185 HG2 MET 15 HG2 MET 15 7.244 9.084 -6.844 186 HG2 MET 15 HG2 MET 15 7.128 11.011 -8.062 187 HG3 MET 15 HG3 MET 15 6.649 10.560 -6.087 188 HG3 MET 15 HG3 MET 15 8.033 10.008 -9.193 189 HE1 MET 15 HE1 MET 15 4.314 10.950 -6.747 190 HE1 MET 15 HE1 MET 15 4.286 9.324 -7.184 191 HE2 MET 15 HE2 MET 15 3.594 10.403 -8.262 192 HE2 MET 15 HE2 MET 15 5.107 10.685 -7.947 193 HE3 MET 15 HE3 MET 15 4.295 9.232 -7.144 194 HE3 MET 15 HE3 MET 15 4.414 9.404 -8.941 195 H SER 16 H SER 16 11.810 9.372 -8.639 196 H SER 16 H SER 16 10.318 10.485 -9.908 197 HA SER 16 HA SER 16 13.600 10.430 -9.562 198 HA SER 16 HA SER 16 13.045 11.135 -9.753 199 HB2 SER 16 HB2 SER 16 11.679 12.211 -11.044 200 HB2 SER 16 HB2 SER 16 11.148 11.297 -11.702 201 HB3 SER 16 HB3 SER 16 13.234 11.575 -11.583 202 HB3 SER 16 HB3 SER 16 11.349 13.000 -11.288 203 HG SER 16 HG SER 16 10.814 10.140 -11.220 204 HG SER 16 HG SER 16 13.371 11.180 -12.095 205 H ARG 17 H ARG 17 14.132 12.998 -10.333 206 H ARG 17 H ARG 17 13.297 13.812 -10.290 207 HA ARG 17 HA ARG 17 14.299 14.325 -7.780 208 HA ARG 17 HA ARG 17 12.892 14.942 -7.636 209 HB2 ARG 17 HB2 ARG 17 16.242 14.367 -9.205 210 HB2 ARG 17 HB2 ARG 17 14.384 16.188 -9.942 211 HB3 ARG 17 HB3 ARG 17 15.315 15.068 -10.525 212 HB3 ARG 17 HB3 ARG 17 14.525 16.575 -8.231 213 HG2 ARG 17 HG2 ARG 17 15.013 16.794 -8.323 214 HG2 ARG 17 HG2 ARG 17 16.399 15.317 -8.498 215 HG3 ARG 17 HG3 ARG 17 16.725 16.376 -8.420 216 HG3 ARG 17 HG3 ARG 17 15.251 14.046 -8.072 217 HD2 ARG 17 HD2 ARG 17 15.239 17.150 -10.893 218 HD2 ARG 17 HD2 ARG 17 15.626 13.032 -10.011 219 HD3 ARG 17 HD3 ARG 17 15.788 18.399 -9.776 220 HD3 ARG 17 HD3 ARG 17 15.125 14.480 -10.883 221 HE ARG 17 HE ARG 17 18.019 16.952 -10.159 222 HE ARG 17 HE ARG 17 17.832 13.610 -10.353 223 HH11 ARG 17 HH11 ARG 17 15.708 18.325 -12.371 224 HH11 ARG 17 HH11 ARG 17 15.747 16.234 -11.296 225 HH12 ARG 17 HH12 ARG 17 16.867 18.564 -13.638 226 HH12 ARG 17 HH12 ARG 17 17.006 17.125 -12.085 227 HH21 ARG 17 HH21 ARG 17 19.553 17.261 -11.818 228 HH21 ARG 17 HH21 ARG 17 19.499 14.773 -11.389 229 HH22 ARG 17 HH22 ARG 17 19.053 17.957 -13.322 230 HH22 ARG 17 HH22 ARG 17 19.140 16.291 -12.138 231 H ASN 18 H ASN 18 13.652 15.947 -10.852 232 H ASN 18 H ASN 18 12.851 16.557 -10.798 233 HA ASN 18 HA ASN 18 11.278 17.185 -9.617 234 HA ASN 18 HA ASN 18 10.593 18.168 -9.902 235 HB2 ASN 18 HB2 ASN 18 13.582 18.397 -11.060 236 HB2 ASN 18 HB2 ASN 18 12.472 18.373 -12.256 237 HB3 ASN 18 HB3 ASN 18 11.991 19.094 -11.352 238 HB3 ASN 18 HB3 ASN 18 11.055 19.406 -12.084 239 HD21 ASN 18 HD21 ASN 18 10.760 18.996 -8.994 240 HD21 ASN 18 HD21 ASN 18 11.749 21.343 -11.533 241 HD22 ASN 18 HD22 ASN 18 11.615 19.911 -7.804 242 HD22 ASN 18 HD22 ASN 18 12.887 21.693 -10.281 243 H SER 19 H SER 19 11.765 14.862 -11.545 244 H SER 19 H SER 19 10.834 15.252 -11.235 245 HA SER 19 HA SER 19 10.304 15.832 -13.890 246 HA SER 19 HA SER 19 8.388 15.610 -12.832 247 HB2 SER 19 HB2 SER 19 10.747 13.279 -14.522 248 HB2 SER 19 HB2 SER 19 9.368 14.756 -14.656 249 HB3 SER 19 HB3 SER 19 11.988 14.514 -14.730 250 HB3 SER 19 HB3 SER 19 10.905 14.748 -13.792 251 HG SER 19 HG SER 19 12.977 13.834 -12.882 252 HG SER 19 HG SER 19 10.779 12.662 -13.710 253 H GLY 20 H GLY 20 10.016 13.630 -11.166 254 H GLY 20 H GLY 20 7.051 13.661 -12.991 255 HA2 GLY 20 HA2 GLY 20 8.086 12.836 -10.161 256 HA2 GLY 20 HA2 GLY 20 7.105 12.201 -10.451 257 HA3 GLY 20 HA3 GLY 20 7.145 13.661 -11.394 258 HA3 GLY 20 HA3 GLY 20 5.729 12.338 -11.534 259 H ARG 21 H ARG 21 9.701 11.445 -12.236 260 H ARG 21 H ARG 21 8.805 11.586 -12.902 261 HA ARG 21 HA ARG 21 7.738 9.730 -13.537 262 HA ARG 21 HA ARG 21 7.983 9.301 -14.212 263 HB2 ARG 21 HB2 ARG 21 10.751 9.856 -13.679 264 HB2 ARG 21 HB2 ARG 21 10.288 10.773 -14.139 265 HB3 ARG 21 HB3 ARG 21 9.794 8.640 -14.514 266 HB3 ARG 21 HB3 ARG 21 10.809 9.263 -13.407 267 HG2 ARG 21 HG2 ARG 21 8.980 11.426 -14.984 268 HG2 ARG 21 HG2 ARG 21 11.254 9.042 -15.699 269 HG3 ARG 21 HG3 ARG 21 10.568 10.974 -15.609 270 HG3 ARG 21 HG3 ARG 21 9.790 8.099 -15.411 271 HD2 ARG 21 HD2 ARG 21 7.962 9.564 -16.175 272 HD2 ARG 21 HD2 ARG 21 8.467 10.089 -16.152 273 HD3 ARG 21 HD3 ARG 21 8.834 10.621 -17.285 274 HD3 ARG 21 HD3 ARG 21 9.987 10.858 -16.607 275 HE ARG 21 HE ARG 21 10.671 8.743 -16.728 276 HE ARG 21 HE ARG 21 9.980 9.599 -18.505 277 HH11 ARG 21 HH11 ARG 21 7.332 8.536 -17.695 278 HH11 ARG 21 HH11 ARG 21 7.938 8.053 -16.147 279 HH12 ARG 21 HH12 ARG 21 7.533 7.031 -18.530 280 HH12 ARG 21 HH12 ARG 21 7.400 6.815 -17.234 281 HH21 ARG 21 HH21 ARG 21 10.946 6.762 -17.823 282 HH21 ARG 21 HH21 ARG 21 9.278 7.975 -19.944 283 HH22 ARG 21 HH22 ARG 21 9.588 6.022 -18.602 284 HH22 ARG 21 HH22 ARG 21 8.163 6.772 -19.394 285 H VAL 22 H VAL 22 7.018 7.930 -12.627 286 H VAL 22 H VAL 22 6.985 7.691 -13.132 287 HA VAL 22 HA VAL 22 8.307 6.890 -10.243 288 HA VAL 22 HA VAL 22 7.842 6.760 -10.566 289 HB VAL 22 HB VAL 22 5.839 5.804 -11.595 290 HB VAL 22 HB VAL 22 5.769 5.876 -12.534 291 HG11 VAL 22 HG11 VAL 22 6.553 5.722 -8.678 292 HG11 VAL 22 HG11 VAL 22 6.615 3.769 -11.884 293 HG12 VAL 22 HG12 VAL 22 5.366 4.751 -9.550 294 HG12 VAL 22 HG12 VAL 22 6.803 4.277 -10.207 295 HG13 VAL 22 HG13 VAL 22 7.089 4.479 -9.809 296 HG13 VAL 22 HG13 VAL 22 5.191 4.047 -10.883 297 HG21 VAL 22 HG21 VAL 22 6.221 8.325 -10.239 298 HG21 VAL 22 HG21 VAL 22 5.482 7.707 -10.771 299 HG22 VAL 22 HG22 VAL 22 4.807 7.712 -11.096 300 HG22 VAL 22 HG22 VAL 22 4.243 6.455 -10.852 301 HG23 VAL 22 HG23 VAL 22 5.048 7.314 -9.394 302 HG23 VAL 22 HG23 VAL 22 5.476 6.397 -9.592 303 H TYR 23 H TYR 23 9.332 4.958 -10.054 304 H TYR 23 H TYR 23 9.080 5.034 -10.039 305 HA TYR 23 HA TYR 23 9.260 2.994 -12.165 306 HA TYR 23 HA TYR 23 9.761 2.967 -11.888 307 HB2 TYR 23 HB2 TYR 23 11.736 3.027 -12.505 308 HB2 TYR 23 HB2 TYR 23 12.028 3.440 -12.301 309 HB3 TYR 23 HB3 TYR 23 10.918 4.460 -13.116 310 HB3 TYR 23 HB3 TYR 23 11.209 4.974 -12.571 311 HD1 TYR 23 HD1 TYR 23 13.405 3.189 -10.833 312 HD1 TYR 23 HD1 TYR 23 13.802 3.296 -10.783 313 HD2 TYR 23 HD2 TYR 23 11.040 6.591 -11.798 314 HD2 TYR 23 HD2 TYR 23 11.211 6.669 -10.646 315 HE1 TYR 23 HE1 TYR 23 14.914 4.606 -9.506 316 HE1 TYR 23 HE1 TYR 23 15.303 4.376 -9.161 317 HE2 TYR 23 HE2 TYR 23 12.543 8.019 -10.475 318 HE2 TYR 23 HE2 TYR 23 12.706 7.758 -9.025 319 HH TYR 23 HH TYR 23 14.902 7.970 -9.681 320 HH TYR 23 HH TYR 23 14.424 7.338 -7.534 321 H TYR 24 H TYR 24 11.194 1.325 -11.596 322 H TYR 24 H TYR 24 11.753 1.690 -10.893 323 HA TYR 24 HA TYR 24 10.915 0.789 -8.711 324 HA TYR 24 HA TYR 24 11.370 1.600 -7.972 325 HB2 TYR 24 HB2 TYR 24 10.870 -1.012 -11.102 326 HB2 TYR 24 HB2 TYR 24 11.718 -0.757 -9.838 327 HB3 TYR 24 HB3 TYR 24 11.433 -1.645 -9.559 328 HB3 TYR 24 HB3 TYR 24 11.577 -0.847 -8.086 329 HD1 TYR 24 HD1 TYR 24 9.906 -2.100 -7.778 330 HD1 TYR 24 HD1 TYR 24 9.421 -0.264 -6.992 331 HD2 TYR 24 HD2 TYR 24 8.539 -0.214 -11.337 332 HD2 TYR 24 HD2 TYR 24 9.793 -0.528 -11.222 333 HE1 TYR 24 HE1 TYR 24 7.578 -2.488 -7.082 334 HE1 TYR 24 HE1 TYR 24 6.974 -0.413 -7.192 335 HE2 TYR 24 HE2 TYR 24 6.207 -0.594 -10.652 336 HE2 TYR 24 HE2 TYR 24 7.347 -0.676 -11.433 337 HH TYR 24 HH TYR 24 5.050 -0.946 -8.183 338 HH TYR 24 HH TYR 24 5.317 0.122 -9.930 339 H PHE 25 H PHE 25 12.711 0.757 -7.538 340 H PHE 25 H PHE 25 13.159 0.752 -6.748 341 HA PHE 25 HA PHE 25 15.274 0.242 -8.887 342 HA PHE 25 HA PHE 25 15.742 0.990 -8.144 343 HB2 PHE 25 HB2 PHE 25 15.189 2.620 -8.543 344 HB2 PHE 25 HB2 PHE 25 14.966 2.866 -6.469 345 HB3 PHE 25 HB3 PHE 25 14.655 2.412 -6.878 346 HB3 PHE 25 HB3 PHE 25 15.479 1.704 -5.250 347 HD1 PHE 25 HD1 PHE 25 16.200 2.293 -5.143 348 HD1 PHE 25 HD1 PHE 25 17.620 1.907 -4.470 349 HD2 PHE 25 HD2 PHE 25 17.510 1.784 -9.160 350 HD2 PHE 25 HD2 PHE 25 16.755 3.147 -8.449 351 HE1 PHE 25 HE1 PHE 25 18.539 2.353 -4.383 352 HE1 PHE 25 HE1 PHE 25 19.950 2.652 -4.741 353 HE2 PHE 25 HE2 PHE 25 19.852 1.841 -8.408 354 HE2 PHE 25 HE2 PHE 25 19.083 3.894 -8.726 355 HZ PHE 25 HZ PHE 25 20.369 2.126 -6.016 356 HZ PHE 25 HZ PHE 25 20.684 3.646 -6.871 357 H ASN 26 H ASN 26 16.259 -1.458 -8.039 358 H ASN 26 H ASN 26 17.313 -0.484 -7.659 359 HA ASN 26 HA ASN 26 15.503 -2.377 -5.374 360 HA ASN 26 HA ASN 26 16.562 -2.619 -5.770 361 HB2 ASN 26 HB2 ASN 26 15.625 -3.877 -7.470 362 HB2 ASN 26 HB2 ASN 26 16.538 -3.245 -8.221 363 HB3 ASN 26 HB3 ASN 26 17.371 -3.807 -7.253 364 HB3 ASN 26 HB3 ASN 26 18.278 -2.971 -8.232 365 HD21 ASN 26 HD21 ASN 26 15.424 -6.030 -7.038 366 HD21 ASN 26 HD21 ASN 26 16.893 -5.413 -8.787 367 HD22 ASN 26 HD22 ASN 26 15.690 -6.714 -5.474 368 HD22 ASN 26 HD22 ASN 26 17.420 -6.572 -7.619 369 H HIS 27 H HIS 27 16.786 -2.239 -3.639 370 H HIS 27 H HIS 27 17.758 -2.381 -3.997 371 HA HIS 27 HA HIS 27 19.328 -0.867 -3.903 372 HA HIS 27 HA HIS 27 20.467 -1.335 -4.167 373 HB2 HIS 27 HB2 HIS 27 19.286 -0.934 -1.386 374 HB2 HIS 27 HB2 HIS 27 20.393 -1.246 -1.740 375 HB3 HIS 27 HB3 HIS 27 17.924 -0.096 -2.126 376 HB3 HIS 27 HB3 HIS 27 18.928 -0.526 -2.402 377 HD1 HIS 27 HD1 HIS 27 18.727 -3.510 -0.661 378 HD1 HIS 27 HD1 HIS 27 16.735 -1.512 -1.676 379 HD2 HIS 27 HD2 HIS 27 15.501 -0.962 -1.265 380 HD2 HIS 27 HD2 HIS 27 19.984 -3.866 -0.595 381 HE1 HIS 27 HE1 HIS 27 16.780 -4.605 0.494 382 HE1 HIS 27 HE1 HIS 27 15.801 -3.298 -0.171 383 H ILE 28 H ILE 28 18.189 -4.072 -3.600 384 H ILE 28 H ILE 28 19.776 -4.009 -5.222 385 HA ILE 28 HA ILE 28 20.572 -5.141 -2.377 386 HA ILE 28 HA ILE 28 21.605 -5.607 -3.551 387 HB ILE 28 HB ILE 28 18.226 -6.502 -3.702 388 HB ILE 28 HB ILE 28 19.460 -6.766 -5.322 389 HG12 ILE 28 HG12 ILE 28 19.016 -5.997 -0.835 390 HG12 ILE 28 HG12 ILE 28 19.374 -6.197 -2.352 391 HG13 ILE 28 HG13 ILE 28 17.537 -5.506 -1.655 392 HG13 ILE 28 HG13 ILE 28 18.359 -5.464 -3.588 393 HG21 ILE 28 HG21 ILE 28 20.273 -7.846 -3.910 394 HG21 ILE 28 HG21 ILE 28 21.555 -8.070 -4.584 395 HG22 ILE 28 HG22 ILE 28 20.495 -7.755 -2.162 396 HG22 ILE 28 HG22 ILE 28 20.799 -8.088 -2.991 397 HG23 ILE 28 HG23 ILE 28 19.094 -8.593 -2.830 398 HG23 ILE 28 HG23 ILE 28 19.976 -8.824 -4.366 399 HD11 ILE 28 HD11 ILE 28 18.325 -8.197 -0.633 400 HD11 ILE 28 HD11 ILE 28 17.902 -7.817 -2.091 401 HD12 ILE 28 HD12 ILE 28 16.850 -7.274 -0.343 402 HD12 ILE 28 HD12 ILE 28 16.876 -7.073 -3.318 403 HD13 ILE 28 HD13 ILE 28 17.119 -8.038 -1.910 404 HD13 ILE 28 HD13 ILE 28 18.080 -8.274 -3.785 405 H THR 29 H THR 29 19.090 -5.346 -5.611 406 H THR 29 H THR 29 20.437 -5.020 -6.847 407 HA THR 29 HA THR 29 21.543 -6.467 -6.700 408 HA THR 29 HA THR 29 23.081 -5.864 -7.839 409 HB THR 29 HB THR 29 20.208 -6.437 -8.873 410 HB THR 29 HB THR 29 22.125 -6.862 -9.780 411 HG1 THR 29 HG1 THR 29 17.934 -6.203 -8.572 412 HG1 THR 29 HG1 THR 29 20.219 -6.278 -10.485 413 HG21 THR 29 HG21 THR 29 18.647 -8.304 -7.996 414 HG21 THR 29 HG21 THR 29 20.575 -7.675 -7.319 415 HG22 THR 29 HG22 THR 29 20.391 -8.527 -7.855 416 HG22 THR 29 HG22 THR 29 20.644 -8.613 -8.811 417 HG23 THR 29 HG23 THR 29 19.448 -8.032 -6.449 418 HG23 THR 29 HG23 THR 29 22.112 -8.337 -7.873 419 H ASN 30 H ASN 30 20.110 -3.416 -6.280 420 H ASN 30 H ASN 30 21.979 -3.203 -7.143 421 HA ASN 30 HA ASN 30 20.711 -1.318 -6.917 422 HA ASN 30 HA ASN 30 21.548 -1.131 -8.101 423 HB2 ASN 30 HB2 ASN 30 23.063 -2.591 -6.588 424 HB2 ASN 30 HB2 ASN 30 24.198 -2.012 -8.314 425 HB3 ASN 30 HB3 ASN 30 23.185 -2.194 -8.299 426 HB3 ASN 30 HB3 ASN 30 23.839 -1.270 -9.870 427 HD21 ASN 30 HD21 ASN 30 21.828 0.223 -8.325 428 HD21 ASN 30 HD21 ASN 30 22.008 0.663 -8.983 429 HD22 ASN 30 HD22 ASN 30 22.750 1.390 -7.445 430 HD22 ASN 30 HD22 ASN 30 22.871 1.838 -8.059 431 H ALA 31 H ALA 31 19.516 -3.432 -8.834 432 H ALA 31 H ALA 31 19.656 -1.553 -9.318 433 HA ALA 31 HA ALA 31 20.167 -2.195 -11.402 434 HA ALA 31 HA ALA 31 19.976 -1.075 -12.126 435 HB1 ALA 31 HB1 ALA 31 20.097 -4.667 -11.210 436 HB1 ALA 31 HB1 ALA 31 20.276 -3.566 -11.915 437 HB2 ALA 31 HB2 ALA 31 18.374 -4.556 -10.854 438 HB2 ALA 31 HB2 ALA 31 18.597 -3.645 -11.382 439 HB3 ALA 31 HB3 ALA 31 18.987 -4.026 -12.421 440 HB3 ALA 31 HB3 ALA 31 18.983 -3.047 -12.995 441 H SER 32 H SER 32 18.936 -0.668 -12.270 442 H SER 32 H SER 32 17.955 -0.612 -13.194 443 HA SER 32 HA SER 32 16.367 -0.048 -11.032 444 HA SER 32 HA SER 32 15.655 -0.264 -11.406 445 HB2 SER 32 HB2 SER 32 17.288 1.668 -13.238 446 HB2 SER 32 HB2 SER 32 16.780 1.891 -11.419 447 HB3 SER 32 HB3 SER 32 16.746 2.106 -11.618 448 HB3 SER 32 HB3 SER 32 16.831 1.887 -13.182 449 HG SER 32 HG SER 32 18.784 1.650 -10.835 450 HG SER 32 HG SER 32 15.096 3.141 -12.418 451 H GLN 33 H GLN 33 14.435 0.119 -12.179 452 H GLN 33 H GLN 33 13.622 0.018 -12.522 453 HA GLN 33 HA GLN 33 14.374 -0.693 -14.969 454 HA GLN 33 HA GLN 33 13.541 -0.478 -15.371 455 HB2 GLN 33 HB2 GLN 33 12.901 -2.548 -14.655 456 HB2 GLN 33 HB2 GLN 33 12.267 -2.528 -15.244 457 HB3 GLN 33 HB3 GLN 33 14.290 -2.796 -13.606 458 HB3 GLN 33 HB3 GLN 33 13.792 -2.742 -14.395 459 HG2 GLN 33 HG2 GLN 33 12.959 -2.988 -11.858 460 HG2 GLN 33 HG2 GLN 33 12.799 -2.923 -12.360 461 HG3 GLN 33 HG3 GLN 33 12.319 -1.371 -12.144 462 HG3 GLN 33 HG3 GLN 33 11.447 -1.882 -12.803 463 HE21 GLN 33 HE21 GLN 33 12.037 -4.609 -13.578 464 HE21 GLN 33 HE21 GLN 33 11.294 -4.390 -11.459 465 HE22 GLN 33 HE22 GLN 33 10.316 -4.579 -13.727 466 HE22 GLN 33 HE22 GLN 33 10.387 -5.462 -12.466 467 H PHE 34 H PHE 34 11.583 -1.239 -15.020 468 H PHE 34 H PHE 34 11.453 -0.169 -16.288 469 HA PHE 34 HA PHE 34 10.275 1.120 -13.935 470 HA PHE 34 HA PHE 34 9.676 1.392 -14.545 471 HB2 PHE 34 HB2 PHE 34 11.028 0.818 -16.766 472 HB2 PHE 34 HB2 PHE 34 9.978 1.395 -17.554 473 HB3 PHE 34 HB3 PHE 34 9.344 1.259 -16.500 474 HB3 PHE 34 HB3 PHE 34 8.796 2.353 -16.670 475 HD1 PHE 34 HD1 PHE 34 8.739 3.425 -15.749 476 HD1 PHE 34 HD1 PHE 34 9.872 3.807 -14.708 477 HD2 PHE 34 HD2 PHE 34 12.836 2.286 -15.946 478 HD2 PHE 34 HD2 PHE 34 11.922 2.432 -18.175 479 HE1 PHE 34 HE1 PHE 34 9.404 5.771 -15.419 480 HE1 PHE 34 HE1 PHE 34 11.527 5.607 -14.439 481 HE2 PHE 34 HE2 PHE 34 13.507 4.630 -15.616 482 HE2 PHE 34 HE2 PHE 34 13.581 4.229 -17.912 483 HZ PHE 34 HZ PHE 34 11.791 6.376 -15.353 484 HZ PHE 34 HZ PHE 34 13.386 5.819 -16.041 485 H GLU 35 H GLU 35 9.748 -1.428 -16.381 486 H GLU 35 H GLU 35 9.778 -1.596 -14.932 487 HA GLU 35 HA GLU 35 7.020 -1.740 -15.993 488 HA GLU 35 HA GLU 35 7.071 -2.022 -15.998 489 HB2 GLU 35 HB2 GLU 35 9.059 -3.824 -16.791 490 HB2 GLU 35 HB2 GLU 35 9.515 -3.482 -16.264 491 HB3 GLU 35 HB3 GLU 35 7.320 -4.009 -16.960 492 HB3 GLU 35 HB3 GLU 35 8.344 -4.496 -15.433 493 HG2 GLU 35 HG2 GLU 35 7.861 -3.339 -19.064 494 HG2 GLU 35 HG2 GLU 35 8.112 -3.241 -18.147 495 HG3 GLU 35 HG3 GLU 35 7.532 -1.777 -18.318 496 HG3 GLU 35 HG3 GLU 35 8.116 -4.953 -17.731 497 H ARG 36 H ARG 36 6.003 -2.146 -14.149 498 H ARG 36 H ARG 36 6.023 -4.044 -14.859 499 HA ARG 36 HA ARG 36 6.905 -2.957 -11.759 500 HA ARG 36 HA ARG 36 5.878 -3.345 -12.029 501 HB2 ARG 36 HB2 ARG 36 4.567 -2.339 -12.183 502 HB2 ARG 36 HB2 ARG 36 3.763 -3.419 -13.180 503 HB3 ARG 36 HB3 ARG 36 4.305 -3.876 -12.997 504 HB3 ARG 36 HB3 ARG 36 4.103 -5.032 -13.796 505 HG2 ARG 36 HG2 ARG 36 4.755 -5.062 -10.909 506 HG2 ARG 36 HG2 ARG 36 2.539 -5.220 -12.005 507 HG3 ARG 36 HG3 ARG 36 5.014 -3.519 -10.093 508 HG3 ARG 36 HG3 ARG 36 4.087 -5.865 -11.456 509 HD2 ARG 36 HD2 ARG 36 2.707 -2.866 -10.625 510 HD2 ARG 36 HD2 ARG 36 4.560 -3.761 -10.308 511 HD3 ARG 36 HD3 ARG 36 2.456 -4.425 -11.410 512 HD3 ARG 36 HD3 ARG 36 3.025 -3.102 -10.874 513 HE ARG 36 HE ARG 36 3.234 -5.136 -8.933 514 HE ARG 36 HE ARG 36 2.776 -5.542 -9.363 515 HH11 ARG 36 HH11 ARG 36 0.822 -2.912 -10.099 516 HH11 ARG 36 HH11 ARG 36 2.947 -2.068 -9.213 517 HH12 ARG 36 HH12 ARG 36 -0.226 -3.133 -8.737 518 HH12 ARG 36 HH12 ARG 36 2.132 -1.964 -7.688 519 HH21 ARG 36 HH21 ARG 36 1.863 -5.434 -7.135 520 HH21 ARG 36 HH21 ARG 36 1.702 -5.418 -7.355 521 HH22 ARG 36 HH22 ARG 36 0.368 -4.566 -7.052 522 HH22 ARG 36 HH22 ARG 36 1.424 -3.870 -6.632 523 HA PRO 37 HA PRO 37 8.609 -7.004 -12.517 524 HA PRO 37 HA PRO 37 8.506 -6.940 -11.337 525 HB2 PRO 37 HB2 PRO 37 9.431 -7.437 -9.966 526 HB2 PRO 37 HB2 PRO 37 9.003 -6.348 -8.734 527 HB3 PRO 37 HB3 PRO 37 10.302 -6.388 -11.091 528 HB3 PRO 37 HB3 PRO 37 9.852 -5.571 -10.076 529 HG2 PRO 37 HG2 PRO 37 8.380 -5.651 -8.917 530 HG2 PRO 37 HG2 PRO 37 7.541 -4.566 -8.460 531 HG3 PRO 37 HG3 PRO 37 9.922 -4.890 -9.354 532 HG3 PRO 37 HG3 PRO 37 8.989 -3.698 -9.002 533 HD2 PRO 37 HD2 PRO 37 7.529 -3.870 -10.107 534 HD2 PRO 37 HD2 PRO 37 6.601 -3.475 -10.259 535 HD3 PRO 37 HD3 PRO 37 8.990 -3.714 -11.103 536 HD3 PRO 37 HD3 PRO 37 8.148 -3.363 -11.122 537 H SER 38 H SER 38 6.265 -7.644 -12.840 538 H SER 38 H SER 38 7.023 -8.606 -11.427 539 HA SER 38 HA SER 38 5.101 -8.956 -10.494 540 HA SER 38 HA SER 38 5.893 -9.417 -8.872 541 HB2 SER 38 HB2 SER 38 3.064 -9.151 -11.823 542 HB2 SER 38 HB2 SER 38 3.660 -9.791 -9.748 543 HB3 SER 38 HB3 SER 38 3.642 -7.486 -11.855 544 HB3 SER 38 HB3 SER 38 4.101 -8.101 -9.998 545 HG SER 38 HG SER 38 3.053 -8.878 -13.919 546 HG SER 38 HG SER 38 3.721 -8.440 -12.025 547 H GLY 39 H GLY 39 7.396 -10.173 -11.380 548 H GLY 39 H GLY 39 7.993 -10.653 -9.773 549 HA2 GLY 39 HA2 GLY 39 6.315 -12.680 -12.498 550 HA2 GLY 39 HA2 GLY 39 6.939 -13.208 -10.757 551 HA3 GLY 39 HA3 GLY 39 7.816 -12.004 -13.115 552 HA3 GLY 39 HA3 GLY 39 8.286 -12.477 -11.618 Start of MODEL 15 1 H1 SER 5 H SER 5 1.165 -0.310 0.378 2 H1 SER 5 H SER 5 1.268 0.820 -1.124 3 HA SER 5 HA SER 5 2.033 0.517 -2.314 4 HA SER 5 HA SER 5 2.965 0.451 -2.608 5 HB2 SER 5 HB2 SER 5 3.029 1.857 -0.486 6 HB2 SER 5 HB2 SER 5 3.879 -0.652 0.003 7 HB3 SER 5 HB3 SER 5 3.692 0.381 0.216 8 HB3 SER 5 HB3 SER 5 4.865 -1.007 -1.415 9 HG SER 5 HG SER 5 4.433 1.738 -2.121 10 HG SER 5 HG SER 5 5.454 0.955 -0.324 11 H LYS 6 H LYS 6 0.956 -1.927 -2.219 12 H LYS 6 H LYS 6 2.492 -2.611 -0.837 13 HA LYS 6 HA LYS 6 2.471 -4.105 -1.467 14 HA LYS 6 HA LYS 6 2.408 -4.775 -1.547 15 HB2 LYS 6 HB2 LYS 6 1.333 -5.322 -3.327 16 HB2 LYS 6 HB2 LYS 6 1.175 -3.705 -4.078 17 HB3 LYS 6 HB3 LYS 6 0.238 -4.406 -2.300 18 HB3 LYS 6 HB3 LYS 6 0.863 -5.242 -3.280 19 HG2 LYS 6 HG2 LYS 6 0.495 -2.551 -4.081 20 HG2 LYS 6 HG2 LYS 6 -0.255 -4.107 -1.459 21 HG3 LYS 6 HG3 LYS 6 1.095 -3.854 -5.109 22 HG3 LYS 6 HG3 LYS 6 0.126 -2.538 -2.174 23 HD2 LYS 6 HD2 LYS 6 -1.229 -3.689 -5.532 24 HD2 LYS 6 HD2 LYS 6 -1.938 -2.735 -3.063 25 HD3 LYS 6 HD3 LYS 6 -1.012 -5.120 -4.522 26 HD3 LYS 6 HD3 LYS 6 -1.109 -3.738 -4.256 27 HE2 LYS 6 HE2 LYS 6 -1.378 -3.199 -2.640 28 HE2 LYS 6 HE2 LYS 6 -3.051 -4.918 -3.509 29 HE3 LYS 6 HE3 LYS 6 -2.386 -2.585 -3.950 30 HE3 LYS 6 HE3 LYS 6 -1.632 -5.725 -2.847 31 HZ1 LYS 6 HZ1 LYS 6 -3.929 -4.026 -3.330 32 HZ1 LYS 6 HZ1 LYS 6 -3.414 -5.472 -1.209 33 HZ2 LYS 6 HZ2 LYS 6 -2.900 -5.302 -3.748 34 HZ2 LYS 6 HZ2 LYS 6 -2.013 -4.648 -0.740 35 HZ3 LYS 6 HZ3 LYS 6 -2.908 -4.707 -2.166 36 HZ3 LYS 6 HZ3 LYS 6 -3.328 -3.790 -1.366 37 H LEU 7 H LEU 7 4.566 -4.408 -1.852 38 H LEU 7 H LEU 7 4.673 -5.021 -1.759 39 HA LEU 7 HA LEU 7 5.497 -4.490 -4.599 40 HA LEU 7 HA LEU 7 5.500 -5.583 -4.483 41 HB2 LEU 7 HB2 LEU 7 6.102 -2.310 -2.815 42 HB2 LEU 7 HB2 LEU 7 7.125 -3.756 -2.721 43 HB3 LEU 7 HB3 LEU 7 7.573 -3.169 -3.265 44 HB3 LEU 7 HB3 LEU 7 7.559 -4.315 -4.335 45 HG LEU 7 HG LEU 7 6.728 -2.871 -5.691 46 HG LEU 7 HG LEU 7 5.176 -2.563 -3.747 47 HD11 LEU 7 HD11 LEU 7 5.514 -0.459 -5.547 48 HD11 LEU 7 HD11 LEU 7 8.032 -1.917 -4.206 49 HD12 LEU 7 HD12 LEU 7 4.663 -1.990 -5.755 50 HD12 LEU 7 HD12 LEU 7 6.828 -0.915 -5.016 51 HD13 LEU 7 HD13 LEU 7 4.805 -1.271 -4.151 52 HD13 LEU 7 HD13 LEU 7 6.812 -1.065 -3.258 53 HD21 LEU 7 HD21 LEU 7 7.928 -0.805 -3.898 54 HD21 LEU 7 HD21 LEU 7 5.507 -4.091 -5.892 55 HD22 LEU 7 HD22 LEU 7 8.677 -1.746 -5.187 56 HD22 LEU 7 HD22 LEU 7 4.815 -2.472 -5.992 57 HD23 LEU 7 HD23 LEU 7 7.592 -0.413 -5.584 58 HD23 LEU 7 HD23 LEU 7 6.513 -2.731 -6.391 59 HA PRO 8 HA PRO 8 7.902 -7.859 -3.142 60 HA PRO 8 HA PRO 8 7.548 -8.960 -2.565 61 HB2 PRO 8 HB2 PRO 8 10.069 -7.728 -4.772 62 HB2 PRO 8 HB2 PRO 8 9.571 -9.397 -4.323 63 HB3 PRO 8 HB3 PRO 8 8.476 -8.252 -5.331 64 HB3 PRO 8 HB3 PRO 8 7.885 -9.795 -4.679 65 HG2 PRO 8 HG2 PRO 8 9.796 -5.578 -5.602 66 HG2 PRO 8 HG2 PRO 8 9.483 -7.404 -5.510 67 HG3 PRO 8 HG3 PRO 8 8.866 -6.494 -6.803 68 HG3 PRO 8 HG3 PRO 8 8.355 -8.381 -6.465 69 HD2 PRO 8 HD2 PRO 8 7.804 -4.438 -5.397 70 HD2 PRO 8 HD2 PRO 8 7.664 -5.994 -5.391 71 HD3 PRO 8 HD3 PRO 8 6.840 -5.833 -5.924 72 HD3 PRO 8 HD3 PRO 8 6.503 -7.320 -5.596 73 HA PRO 9 HA PRO 9 10.838 -6.438 -0.178 74 HA PRO 9 HA PRO 9 11.059 -7.767 -0.201 75 HB2 PRO 9 HB2 PRO 9 12.233 -8.730 0.236 76 HB2 PRO 9 HB2 PRO 9 12.645 -9.971 -0.223 77 HB3 PRO 9 HB3 PRO 9 10.591 -8.482 0.841 78 HB3 PRO 9 HB3 PRO 9 11.122 -9.892 0.670 79 HG2 PRO 9 HG2 PRO 9 11.510 -9.955 -1.598 80 HG2 PRO 9 HG2 PRO 9 11.687 -11.114 -2.002 81 HG3 PRO 9 HG3 PRO 9 10.275 -10.416 -0.412 82 HG3 PRO 9 HG3 PRO 9 10.711 -11.750 -0.666 83 HD2 PRO 9 HD2 PRO 9 9.654 -9.342 -2.819 84 HD2 PRO 9 HD2 PRO 9 9.611 -10.555 -2.833 85 HD3 PRO 9 HD3 PRO 9 8.673 -9.061 -1.366 86 HD3 PRO 9 HD3 PRO 9 8.886 -10.454 -1.216 87 H GLY 10 H GLY 10 12.445 -5.094 -0.709 88 H GLY 10 H GLY 10 12.566 -6.338 -0.778 89 HA2 GLY 10 HA2 GLY 10 14.883 -5.033 -1.072 90 HA2 GLY 10 HA2 GLY 10 14.747 -5.831 -1.585 91 HA3 GLY 10 HA3 GLY 10 14.625 -6.151 -2.403 92 HA3 GLY 10 HA3 GLY 10 14.585 -7.133 -2.755 93 H TRP 11 H TRP 11 12.237 -4.774 -3.360 94 H TRP 11 H TRP 11 12.031 -4.816 -2.237 95 HA TRP 11 HA TRP 11 13.589 -2.745 -4.921 96 HA TRP 11 HA TRP 11 12.805 -3.346 -4.649 97 HB2 TRP 11 HB2 TRP 11 10.849 -3.994 -5.047 98 HB2 TRP 11 HB2 TRP 11 10.173 -4.765 -4.226 99 HB3 TRP 11 HB3 TRP 11 11.288 -2.615 -6.052 100 HB3 TRP 11 HB3 TRP 11 10.391 -3.488 -5.419 101 HD1 TRP 11 HD1 TRP 11 11.665 -6.351 -5.808 102 HD1 TRP 11 HD1 TRP 11 11.517 -7.085 -4.661 103 HE1 TRP 11 HE1 TRP 11 12.980 -7.218 -7.844 104 HE1 TRP 11 HE1 TRP 11 12.358 -8.149 -6.849 105 HE3 TRP 11 HE3 TRP 11 13.259 -1.881 -7.708 106 HE3 TRP 11 HE3 TRP 11 11.324 -2.971 -7.691 107 HZ2 TRP 11 HZ2 TRP 11 14.494 -6.148 -9.972 108 HZ2 TRP 11 HZ2 TRP 11 12.872 -7.350 -9.507 109 HZ3 TRP 11 HZ3 TRP 11 14.637 -1.890 -9.747 110 HZ3 TRP 11 HZ3 TRP 11 12.009 -3.206 -10.042 111 HH2 TRP 11 HH2 TRP 11 15.241 -3.981 -10.853 112 HH2 TRP 11 HH2 TRP 11 12.767 -5.350 -10.929 113 H GLU 12 H GLU 12 12.953 -0.572 -5.088 114 H GLU 12 H GLU 12 12.243 -1.217 -4.644 115 HA GLU 12 HA GLU 12 11.137 0.419 -3.006 116 HA GLU 12 HA GLU 12 10.382 -0.229 -2.628 117 HB2 GLU 12 HB2 GLU 12 13.893 1.507 -3.604 118 HB2 GLU 12 HB2 GLU 12 12.512 -0.165 -1.467 119 HB3 GLU 12 HB3 GLU 12 12.713 2.290 -2.562 120 HB3 GLU 12 HB3 GLU 12 13.259 0.672 -2.820 121 HG2 GLU 12 HG2 GLU 12 13.487 -0.519 -1.975 122 HG2 GLU 12 HG2 GLU 12 11.611 2.539 -2.416 123 HG3 GLU 12 HG3 GLU 12 14.617 0.774 -1.582 124 HG3 GLU 12 HG3 GLU 12 11.192 1.722 -0.912 125 H LYS 13 H LYS 13 9.815 2.035 -3.633 126 H LYS 13 H LYS 13 9.035 1.104 -3.619 127 HA LYS 13 HA LYS 13 10.081 2.963 -6.406 128 HA LYS 13 HA LYS 13 9.564 2.148 -6.221 129 HB2 LYS 13 HB2 LYS 13 7.981 1.894 -6.025 130 HB2 LYS 13 HB2 LYS 13 7.301 1.499 -5.439 131 HB3 LYS 13 HB3 LYS 13 7.716 2.799 -4.540 132 HB3 LYS 13 HB3 LYS 13 7.329 2.844 -4.306 133 HG2 LYS 13 HG2 LYS 13 8.029 4.358 -7.037 134 HG2 LYS 13 HG2 LYS 13 7.813 4.215 -6.519 135 HG3 LYS 13 HG3 LYS 13 6.540 3.432 -6.834 136 HG3 LYS 13 HG3 LYS 13 6.977 2.842 -7.249 137 HD2 LYS 13 HD2 LYS 13 6.509 4.536 -4.470 138 HD2 LYS 13 HD2 LYS 13 5.055 3.822 -6.702 139 HD3 LYS 13 HD3 LYS 13 7.596 5.712 -5.212 140 HD3 LYS 13 HD3 LYS 13 5.455 3.527 -5.008 141 HE2 LYS 13 HE2 LYS 13 5.984 6.430 -6.726 142 HE2 LYS 13 HE2 LYS 13 6.387 5.951 -6.533 143 HE3 LYS 13 HE3 LYS 13 5.022 4.963 -6.546 144 HE3 LYS 13 HE3 LYS 13 4.887 5.911 -5.606 145 HZ1 LYS 13 HZ1 LYS 13 5.349 7.073 -4.480 146 HZ1 LYS 13 HZ1 LYS 13 7.154 6.719 -4.561 147 HZ2 LYS 13 HZ2 LYS 13 3.984 6.854 -5.455 148 HZ2 LYS 13 HZ2 LYS 13 5.991 5.903 -3.642 149 HZ3 LYS 13 HZ3 LYS 13 4.413 5.673 -4.322 150 HZ3 LYS 13 HZ3 LYS 13 7.331 5.065 -4.248 151 H ARG 14 H ARG 14 10.855 4.935 -6.720 152 H ARG 14 H ARG 14 10.399 4.050 -6.805 153 HA ARG 14 HA ARG 14 10.197 7.043 -4.783 154 HA ARG 14 HA ARG 14 10.623 6.168 -4.774 155 HB2 ARG 14 HB2 ARG 14 12.926 6.662 -6.025 156 HB2 ARG 14 HB2 ARG 14 12.746 4.973 -6.503 157 HB3 ARG 14 HB3 ARG 14 12.459 7.922 -4.891 158 HB3 ARG 14 HB3 ARG 14 12.838 6.687 -6.118 159 HG2 ARG 14 HG2 ARG 14 12.079 5.119 -4.021 160 HG2 ARG 14 HG2 ARG 14 12.321 5.366 -3.695 161 HG3 ARG 14 HG3 ARG 14 13.735 5.714 -4.145 162 HG3 ARG 14 HG3 ARG 14 13.568 4.430 -4.522 163 HD2 ARG 14 HD2 ARG 14 11.504 6.974 -2.554 164 HD2 ARG 14 HD2 ARG 14 15.065 5.931 -3.859 165 HD3 ARG 14 HD3 ARG 14 12.849 6.043 -1.897 166 HD3 ARG 14 HD3 ARG 14 14.255 7.129 -4.870 167 HE ARG 14 HE ARG 14 14.036 8.058 -3.302 168 HE ARG 14 HE ARG 14 14.099 6.877 -1.998 169 HH11 ARG 14 HH11 ARG 14 11.698 7.894 -0.728 170 HH11 ARG 14 HH11 ARG 14 12.633 8.173 -4.877 171 HH12 ARG 14 HH12 ARG 14 12.171 9.406 -0.025 172 HH12 ARG 14 HH12 ARG 14 11.779 9.425 -4.037 173 HH21 ARG 14 HH21 ARG 14 14.668 10.050 -2.387 174 HH21 ARG 14 HH21 ARG 14 12.980 8.520 -0.880 175 HH22 ARG 14 HH22 ARG 14 13.860 10.632 -0.970 176 HH22 ARG 14 HH22 ARG 14 11.978 9.622 -1.763 177 H MET 15 H MET 15 10.781 9.260 -5.726 178 H MET 15 H MET 15 10.928 8.337 -5.685 179 HA MET 15 HA MET 15 9.986 9.288 -8.562 180 HA MET 15 HA MET 15 9.492 8.598 -8.237 181 HB2 MET 15 HB2 MET 15 9.286 11.039 -6.246 182 HB2 MET 15 HB2 MET 15 8.708 9.644 -5.944 183 HB3 MET 15 HB3 MET 15 9.328 11.748 -7.854 184 HB3 MET 15 HB3 MET 15 9.868 10.896 -6.366 185 HG2 MET 15 HG2 MET 15 7.762 9.925 -8.583 186 HG2 MET 15 HG2 MET 15 8.129 11.829 -7.412 187 HG3 MET 15 HG3 MET 15 7.597 9.495 -6.882 188 HG3 MET 15 HG3 MET 15 8.508 10.674 -8.687 189 HE1 MET 15 HE1 MET 15 4.265 10.897 -7.662 190 HE1 MET 15 HE1 MET 15 4.921 11.303 -8.679 191 HE2 MET 15 HE2 MET 15 5.022 11.314 -9.200 192 HE2 MET 15 HE2 MET 15 4.853 11.626 -6.946 193 HE3 MET 15 HE3 MET 15 5.382 9.768 -8.430 194 HE3 MET 15 HE3 MET 15 6.129 12.347 -7.929 195 H SER 16 H SER 16 11.140 10.474 -10.014 196 H SER 16 H SER 16 10.401 9.608 -9.936 197 HA SER 16 HA SER 16 13.836 11.021 -9.499 198 HA SER 16 HA SER 16 13.159 9.955 -10.108 199 HB2 SER 16 HB2 SER 16 12.694 12.560 -11.718 200 HB2 SER 16 HB2 SER 16 10.832 10.550 -11.811 201 HB3 SER 16 HB3 SER 16 13.965 11.338 -11.730 202 HB3 SER 16 HB3 SER 16 12.236 11.575 -12.110 203 HG SER 16 HG SER 16 11.172 10.995 -11.889 204 HG SER 16 HG SER 16 11.866 8.893 -12.609 205 H ARG 17 H ARG 17 14.455 13.458 -10.564 206 H ARG 17 H ARG 17 13.945 12.242 -11.101 207 HA ARG 17 HA ARG 17 14.450 15.178 -8.435 208 HA ARG 17 HA ARG 17 14.365 13.933 -8.971 209 HB2 ARG 17 HB2 ARG 17 14.540 16.971 -10.448 210 HB2 ARG 17 HB2 ARG 17 15.733 14.049 -10.961 211 HB3 ARG 17 HB3 ARG 17 15.904 15.964 -9.982 212 HB3 ARG 17 HB3 ARG 17 14.360 14.576 -11.923 213 HG2 ARG 17 HG2 ARG 17 15.695 14.589 -11.809 214 HG2 ARG 17 HG2 ARG 17 14.610 16.396 -9.785 215 HG3 ARG 17 HG3 ARG 17 13.978 14.948 -12.014 216 HG3 ARG 17 HG3 ARG 17 16.225 16.142 -10.449 217 HD2 ARG 17 HD2 ARG 17 15.393 15.945 -13.778 218 HD2 ARG 17 HD2 ARG 17 13.804 16.787 -12.121 219 HD3 ARG 17 HD3 ARG 17 14.491 17.147 -12.854 220 HD3 ARG 17 HD3 ARG 17 14.923 18.004 -11.508 221 HE ARG 17 HE ARG 17 17.029 16.823 -11.699 222 HE ARG 17 HE ARG 17 16.278 15.954 -12.946 223 HH11 ARG 17 HH11 ARG 17 15.536 18.090 -14.579 224 HH11 ARG 17 HH11 ARG 17 14.369 18.839 -13.330 225 HH12 ARG 17 HH12 ARG 17 16.772 19.271 -14.857 226 HH12 ARG 17 HH12 ARG 17 15.034 19.231 -14.880 227 HH21 ARG 17 HH21 ARG 17 18.662 18.374 -12.056 228 HH21 ARG 17 HH21 ARG 17 17.162 16.458 -14.987 229 HH22 ARG 17 HH22 ARG 17 18.551 19.431 -13.421 230 HH22 ARG 17 HH22 ARG 17 16.622 17.876 -15.823 231 H ASN 18 H ASN 18 12.780 16.465 -11.226 232 H ASN 18 H ASN 18 12.601 15.247 -11.735 233 HA ASN 18 HA ASN 18 10.433 17.000 -9.524 234 HA ASN 18 HA ASN 18 10.372 16.013 -10.018 235 HB2 ASN 18 HB2 ASN 18 11.944 18.793 -11.391 236 HB2 ASN 18 HB2 ASN 18 12.234 17.819 -10.056 237 HB3 ASN 18 HB3 ASN 18 10.223 19.063 -11.133 238 HB3 ASN 18 HB3 ASN 18 11.681 18.134 -11.700 239 HD21 ASN 18 HD21 ASN 18 12.851 20.438 -10.340 240 HD21 ASN 18 HD21 ASN 18 11.014 20.208 -11.136 241 HD22 ASN 18 HD22 ASN 18 12.619 20.796 -8.667 242 HD22 ASN 18 HD22 ASN 18 9.582 20.488 -10.212 243 H SER 19 H SER 19 11.154 14.908 -11.633 244 H SER 19 H SER 19 10.724 14.191 -12.267 245 HA SER 19 HA SER 19 9.241 15.455 -13.743 246 HA SER 19 HA SER 19 9.048 15.509 -14.297 247 HB2 SER 19 HB2 SER 19 10.005 13.412 -14.748 248 HB2 SER 19 HB2 SER 19 9.834 13.845 -15.879 249 HB3 SER 19 HB3 SER 19 11.426 14.263 -14.143 250 HB3 SER 19 HB3 SER 19 11.225 14.591 -15.094 251 HG SER 19 HG SER 19 11.225 11.927 -13.656 252 HG SER 19 HG SER 19 11.010 12.134 -15.295 253 H GLY 20 H GLY 20 9.597 13.192 -11.032 254 H GLY 20 H GLY 20 8.299 14.176 -11.677 255 HA2 GLY 20 HA2 GLY 20 7.846 12.369 -9.707 256 HA2 GLY 20 HA2 GLY 20 6.747 12.671 -10.872 257 HA3 GLY 20 HA3 GLY 20 6.697 12.940 -10.907 258 HA3 GLY 20 HA3 GLY 20 5.831 13.195 -12.278 259 H ARG 21 H ARG 21 8.583 11.550 -12.941 260 H ARG 21 H ARG 21 8.865 11.427 -12.421 261 HA ARG 21 HA ARG 21 7.065 9.342 -13.499 262 HA ARG 21 HA ARG 21 7.435 9.235 -13.750 263 HB2 ARG 21 HB2 ARG 21 9.892 10.084 -14.110 264 HB2 ARG 21 HB2 ARG 21 9.789 10.634 -14.396 265 HB3 ARG 21 HB3 ARG 21 9.350 8.457 -14.500 266 HB3 ARG 21 HB3 ARG 21 10.307 9.028 -13.901 267 HG2 ARG 21 HG2 ARG 21 7.844 10.884 -15.413 268 HG2 ARG 21 HG2 ARG 21 9.993 8.845 -16.197 269 HG3 ARG 21 HG3 ARG 21 9.202 10.222 -16.327 270 HG3 ARG 21 HG3 ARG 21 8.519 8.158 -15.510 271 HD2 ARG 21 HD2 ARG 21 6.657 8.784 -15.583 272 HD2 ARG 21 HD2 ARG 21 7.457 10.417 -15.798 273 HD3 ARG 21 HD3 ARG 21 7.114 9.348 -17.189 274 HD3 ARG 21 HD3 ARG 21 8.892 10.899 -16.702 275 HE ARG 21 HE ARG 21 8.047 6.974 -15.848 276 HE ARG 21 HE ARG 21 6.729 9.319 -17.655 277 HH11 ARG 21 HH11 ARG 21 8.672 9.308 -18.354 278 HH11 ARG 21 HH11 ARG 21 10.173 9.756 -17.908 279 HH12 ARG 21 HH12 ARG 21 9.690 8.247 -19.270 280 HH12 ARG 21 HH12 ARG 21 10.270 9.111 -19.512 281 HH21 ARG 21 HH21 ARG 21 9.385 5.566 -17.045 282 HH21 ARG 21 HH21 ARG 21 6.842 8.467 -19.768 283 HH22 ARG 21 HH22 ARG 21 10.094 6.119 -18.525 284 HH22 ARG 21 HH22 ARG 21 8.374 8.378 -20.570 285 H VAL 22 H VAL 22 6.631 7.567 -12.385 286 H VAL 22 H VAL 22 6.816 7.818 -12.211 287 HA VAL 22 HA VAL 22 8.199 6.770 -10.124 288 HA VAL 22 HA VAL 22 8.413 7.200 -9.918 289 HB VAL 22 HB VAL 22 5.862 5.411 -11.471 290 HB VAL 22 HB VAL 22 5.836 6.181 -11.031 291 HG11 VAL 22 HG11 VAL 22 7.195 3.776 -10.279 292 HG11 VAL 22 HG11 VAL 22 6.823 4.109 -10.478 293 HG12 VAL 22 HG12 VAL 22 7.209 4.798 -8.843 294 HG12 VAL 22 HG12 VAL 22 7.550 4.759 -9.009 295 HG13 VAL 22 HG13 VAL 22 5.697 4.084 -9.402 296 HG13 VAL 22 HG13 VAL 22 5.803 4.534 -9.103 297 HG21 VAL 22 HG21 VAL 22 5.760 7.738 -10.180 298 HG21 VAL 22 HG21 VAL 22 6.067 8.170 -9.486 299 HG22 VAL 22 HG22 VAL 22 4.470 6.540 -10.070 300 HG22 VAL 22 HG22 VAL 22 4.943 6.915 -8.965 301 HG23 VAL 22 HG23 VAL 22 5.676 6.658 -8.788 302 HG23 VAL 22 HG23 VAL 22 6.542 7.026 -8.229 303 H TYR 23 H TYR 23 9.424 4.912 -9.855 304 H TYR 23 H TYR 23 9.643 5.405 -9.495 305 HA TYR 23 HA TYR 23 9.875 3.157 -12.128 306 HA TYR 23 HA TYR 23 9.872 3.293 -11.471 307 HB2 TYR 23 HB2 TYR 23 12.359 3.473 -11.965 308 HB2 TYR 23 HB2 TYR 23 12.200 3.566 -11.905 309 HB3 TYR 23 HB3 TYR 23 11.493 4.862 -12.609 310 HB3 TYR 23 HB3 TYR 23 11.451 5.136 -12.178 311 HD1 TYR 23 HD1 TYR 23 11.460 6.953 -11.440 312 HD1 TYR 23 HD1 TYR 23 11.602 6.867 -10.306 313 HD2 TYR 23 HD2 TYR 23 13.292 3.540 -9.680 314 HD2 TYR 23 HD2 TYR 23 13.982 3.341 -10.401 315 HE1 TYR 23 HE1 TYR 23 12.498 8.395 -9.738 316 HE1 TYR 23 HE1 TYR 23 13.187 7.901 -8.735 317 HE2 TYR 23 HE2 TYR 23 14.334 4.972 -7.973 318 HE2 TYR 23 HE2 TYR 23 15.571 4.365 -8.829 319 HH TYR 23 HH TYR 23 14.938 7.240 -7.593 320 HH TYR 23 HH TYR 23 15.687 7.597 -8.176 321 H TYR 24 H TYR 24 11.797 1.579 -11.416 322 H TYR 24 H TYR 24 11.804 1.785 -10.682 323 HA TYR 24 HA TYR 24 11.250 0.779 -8.633 324 HA TYR 24 HA TYR 24 11.454 1.447 -7.775 325 HB2 TYR 24 HB2 TYR 24 11.320 -0.848 -11.148 326 HB2 TYR 24 HB2 TYR 24 11.867 -0.706 -9.860 327 HB3 TYR 24 HB3 TYR 24 11.760 -1.598 -9.617 328 HB3 TYR 24 HB3 TYR 24 11.668 -0.970 -8.132 329 HD1 TYR 24 HD1 TYR 24 10.103 -2.152 -7.992 330 HD1 TYR 24 HD1 TYR 24 10.002 -0.601 -11.272 331 HD2 TYR 24 HD2 TYR 24 9.028 0.047 -11.472 332 HD2 TYR 24 HD2 TYR 24 9.459 -0.251 -7.067 333 HE1 TYR 24 HE1 TYR 24 7.726 -2.522 -7.484 334 HE1 TYR 24 HE1 TYR 24 7.566 -0.738 -11.582 335 HE2 TYR 24 HE2 TYR 24 6.646 -0.316 -10.973 336 HE2 TYR 24 HE2 TYR 24 7.021 -0.388 -7.364 337 HH TYR 24 HH TYR 24 5.622 -1.997 -8.027 338 HH TYR 24 HH TYR 24 5.510 -0.030 -10.343 339 H PHE 25 H PHE 25 12.992 0.795 -7.393 340 H PHE 25 H PHE 25 13.225 0.677 -6.566 341 HA PHE 25 HA PHE 25 15.614 0.283 -8.635 342 HA PHE 25 HA PHE 25 15.831 0.839 -7.925 343 HB2 PHE 25 HB2 PHE 25 15.589 2.607 -8.113 344 HB2 PHE 25 HB2 PHE 25 15.066 2.841 -6.396 345 HB3 PHE 25 HB3 PHE 25 14.865 2.316 -6.536 346 HB3 PHE 25 HB3 PHE 25 15.539 1.757 -5.091 347 HD1 PHE 25 HD1 PHE 25 16.195 1.897 -4.645 348 HD1 PHE 25 HD1 PHE 25 17.667 1.996 -4.287 349 HD2 PHE 25 HD2 PHE 25 17.953 1.891 -8.521 350 HD2 PHE 25 HD2 PHE 25 16.895 2.931 -8.366 351 HE1 PHE 25 HE1 PHE 25 18.433 1.842 -3.626 352 HE1 PHE 25 HE1 PHE 25 20.013 2.678 -4.570 353 HE2 PHE 25 HE2 PHE 25 20.194 1.835 -7.509 354 HE2 PHE 25 HE2 PHE 25 19.241 3.615 -8.656 355 HZ PHE 25 HZ PHE 25 20.437 1.810 -5.058 356 HZ PHE 25 HZ PHE 25 20.804 3.489 -6.758 357 H ASN 26 H ASN 26 16.500 -1.521 -7.899 358 H ASN 26 H ASN 26 17.341 -0.654 -7.353 359 HA ASN 26 HA ASN 26 15.640 -2.600 -5.323 360 HA ASN 26 HA ASN 26 16.511 -2.655 -5.355 361 HB2 ASN 26 HB2 ASN 26 15.695 -3.969 -7.490 362 HB2 ASN 26 HB2 ASN 26 16.669 -3.348 -7.817 363 HB3 ASN 26 HB3 ASN 26 17.447 -3.969 -7.309 364 HB3 ASN 26 HB3 ASN 26 18.413 -3.178 -7.636 365 HD21 ASN 26 HD21 ASN 26 15.501 -6.165 -7.229 366 HD21 ASN 26 HD21 ASN 26 15.761 -5.203 -7.256 367 HD22 ASN 26 HD22 ASN 26 15.749 -6.953 -5.711 368 HD22 ASN 26 HD22 ASN 26 16.535 -6.474 -6.378 369 H HIS 27 H HIS 27 16.882 -2.566 -3.563 370 H HIS 27 H HIS 27 17.687 -2.665 -3.568 371 HA HIS 27 HA HIS 27 19.503 -1.346 -3.711 372 HA HIS 27 HA HIS 27 20.332 -1.433 -3.571 373 HB2 HIS 27 HB2 HIS 27 19.363 -1.058 -1.396 374 HB2 HIS 27 HB2 HIS 27 20.122 -1.711 -1.063 375 HB3 HIS 27 HB3 HIS 27 17.686 -0.924 -1.914 376 HB3 HIS 27 HB3 HIS 27 18.936 -0.645 -1.811 377 HD1 HIS 27 HD1 HIS 27 16.063 -2.758 -1.157 378 HD1 HIS 27 HD1 HIS 27 19.234 -4.138 -0.394 379 HD2 HIS 27 HD2 HIS 27 19.979 -3.377 0.085 380 HD2 HIS 27 HD2 HIS 27 16.319 -1.353 -1.403 381 HE1 HIS 27 HE1 HIS 27 15.944 -4.606 0.543 382 HE1 HIS 27 HE1 HIS 27 17.072 -5.082 0.477 383 H ILE 28 H ILE 28 18.186 -4.497 -3.597 384 H ILE 28 H ILE 28 19.724 -4.135 -4.709 385 HA ILE 28 HA ILE 28 20.527 -5.744 -2.446 386 HA ILE 28 HA ILE 28 21.648 -5.667 -3.086 387 HB ILE 28 HB ILE 28 18.029 -6.877 -3.696 388 HB ILE 28 HB ILE 28 19.485 -6.903 -4.785 389 HG12 ILE 28 HG12 ILE 28 19.100 -6.769 -0.870 390 HG12 ILE 28 HG12 ILE 28 19.484 -6.091 -1.893 391 HG13 ILE 28 HG13 ILE 28 17.672 -5.951 -1.497 392 HG13 ILE 28 HG13 ILE 28 18.233 -5.855 -3.107 393 HG21 ILE 28 HG21 ILE 28 18.839 -9.088 -2.959 394 HG21 ILE 28 HG21 ILE 28 20.859 -8.254 -2.514 395 HG22 ILE 28 HG22 ILE 28 19.847 -8.380 -4.221 396 HG22 ILE 28 HG22 ILE 28 20.177 -8.938 -3.990 397 HG23 ILE 28 HG23 ILE 28 20.389 -8.356 -2.543 398 HG23 ILE 28 HG23 ILE 28 21.715 -8.077 -4.045 399 HD11 ILE 28 HD11 ILE 28 16.926 -7.803 -0.235 400 HD11 ILE 28 HD11 ILE 28 18.978 -8.416 -1.725 401 HD12 ILE 28 HD12 ILE 28 16.695 -8.218 -1.933 402 HD12 ILE 28 HD12 ILE 28 17.476 -7.503 -1.574 403 HD13 ILE 28 HD13 ILE 28 18.057 -8.894 -1.038 404 HD13 ILE 28 HD13 ILE 28 17.863 -8.319 -3.089 405 H THR 29 H THR 29 18.998 -5.566 -5.647 406 H THR 29 H THR 29 20.288 -5.323 -6.359 407 HA THR 29 HA THR 29 21.327 -6.853 -6.851 408 HA THR 29 HA THR 29 22.911 -6.126 -7.439 409 HB THR 29 HB THR 29 19.929 -6.606 -8.987 410 HB THR 29 HB THR 29 21.844 -6.946 -9.403 411 HG1 THR 29 HG1 THR 29 17.769 -6.142 -8.704 412 HG1 THR 29 HG1 THR 29 19.648 -6.627 -9.801 413 HG21 THR 29 HG21 THR 29 18.333 -8.470 -8.188 414 HG21 THR 29 HG21 THR 29 20.274 -7.759 -6.956 415 HG22 THR 29 HG22 THR 29 20.070 -8.766 -8.106 416 HG22 THR 29 HG22 THR 29 20.242 -8.620 -8.493 417 HG23 THR 29 HG23 THR 29 19.180 -8.331 -6.647 418 HG23 THR 29 HG23 THR 29 21.742 -8.513 -7.573 419 H ASN 30 H ASN 30 20.130 -3.746 -6.226 420 H ASN 30 H ASN 30 21.990 -3.429 -6.578 421 HA ASN 30 HA ASN 30 20.843 -1.660 -6.786 422 HA ASN 30 HA ASN 30 21.610 -1.301 -7.478 423 HB2 ASN 30 HB2 ASN 30 23.114 -3.102 -6.610 424 HB2 ASN 30 HB2 ASN 30 24.249 -2.255 -7.524 425 HB3 ASN 30 HB3 ASN 30 23.203 -2.624 -8.302 426 HB3 ASN 30 HB3 ASN 30 24.034 -1.405 -9.052 427 HD21 ASN 30 HD21 ASN 30 22.007 -0.126 -8.151 428 HD21 ASN 30 HD21 ASN 30 22.189 0.523 -8.192 429 HD22 ASN 30 HD22 ASN 30 23.037 0.931 -7.252 430 HD22 ASN 30 HD22 ASN 30 23.002 1.609 -7.123 431 H ALA 31 H ALA 31 19.437 -3.584 -8.754 432 H ALA 31 H ALA 31 19.808 -1.698 -8.870 433 HA ALA 31 HA ALA 31 20.086 -2.268 -11.284 434 HA ALA 31 HA ALA 31 20.339 -1.012 -11.594 435 HB1 ALA 31 HB1 ALA 31 18.658 -3.949 -12.319 436 HB1 ALA 31 HB1 ALA 31 19.387 -2.966 -12.660 437 HB2 ALA 31 HB2 ALA 31 19.872 -4.706 -11.287 438 HB2 ALA 31 HB2 ALA 31 20.772 -3.436 -11.674 439 HB3 ALA 31 HB3 ALA 31 18.205 -4.561 -10.728 440 HB3 ALA 31 HB3 ALA 31 19.133 -3.730 -11.090 441 H SER 32 H SER 32 18.646 -1.023 -12.435 442 H SER 32 H SER 32 18.579 -0.098 -12.573 443 HA SER 32 HA SER 32 16.348 -0.032 -10.898 444 HA SER 32 HA SER 32 16.075 -0.100 -11.019 445 HB2 SER 32 HB2 SER 32 17.078 1.443 -13.328 446 HB2 SER 32 HB2 SER 32 15.707 2.195 -11.676 447 HB3 SER 32 HB3 SER 32 16.805 2.034 -11.689 448 HB3 SER 32 HB3 SER 32 17.323 2.073 -10.981 449 HG SER 32 HG SER 32 18.911 2.319 -11.839 450 HG SER 32 HG SER 32 17.653 3.172 -12.817 451 H GLN 33 H GLN 33 14.378 0.509 -12.079 452 H GLN 33 H GLN 33 14.330 -0.828 -12.035 453 HA GLN 33 HA GLN 33 13.931 -0.614 -14.679 454 HA GLN 33 HA GLN 33 14.411 -1.023 -14.974 455 HB2 GLN 33 HB2 GLN 33 13.702 -2.399 -12.593 456 HB2 GLN 33 HB2 GLN 33 13.147 -3.020 -14.867 457 HB3 GLN 33 HB3 GLN 33 12.046 -1.855 -12.816 458 HB3 GLN 33 HB3 GLN 33 14.400 -3.182 -13.643 459 HG2 GLN 33 HG2 GLN 33 13.173 -2.394 -15.371 460 HG2 GLN 33 HG2 GLN 33 12.864 -3.565 -12.107 461 HG3 GLN 33 HG3 GLN 33 13.487 -3.766 -14.310 462 HG3 GLN 33 HG3 GLN 33 12.139 -1.989 -12.421 463 HE21 GLN 33 HE21 GLN 33 11.645 -4.700 -13.195 464 HE21 GLN 33 HE21 GLN 33 10.992 -4.668 -11.776 465 HE22 GLN 33 HE22 GLN 33 10.095 -4.672 -13.958 466 HE22 GLN 33 HE22 GLN 33 9.820 -4.956 -13.012 467 H PHE 34 H PHE 34 11.325 -0.718 -14.941 468 H PHE 34 H PHE 34 12.465 -0.660 -16.133 469 HA PHE 34 HA PHE 34 10.161 1.639 -13.645 470 HA PHE 34 HA PHE 34 10.533 1.013 -14.670 471 HB2 PHE 34 HB2 PHE 34 10.439 1.203 -16.616 472 HB2 PHE 34 HB2 PHE 34 11.817 1.282 -17.328 473 HB3 PHE 34 HB3 PHE 34 9.240 2.298 -15.935 474 HB3 PHE 34 HB3 PHE 34 10.120 1.739 -17.231 475 HD1 PHE 34 HD1 PHE 34 12.746 1.780 -16.695 476 HD1 PHE 34 HD1 PHE 34 13.368 2.926 -16.981 477 HD2 PHE 34 HD2 PHE 34 9.951 4.321 -14.733 478 HD2 PHE 34 HD2 PHE 34 9.567 3.249 -15.092 479 HE1 PHE 34 HE1 PHE 34 14.437 3.564 -16.605 480 HE1 PHE 34 HE1 PHE 34 14.018 5.111 -16.054 481 HE2 PHE 34 HE2 PHE 34 11.637 6.110 -14.641 482 HE2 PHE 34 HE2 PHE 34 10.210 5.434 -14.163 483 HZ PHE 34 HZ PHE 34 13.883 5.734 -15.578 484 HZ PHE 34 HZ PHE 34 12.438 6.369 -14.644 485 H GLU 35 H GLU 35 9.635 -1.144 -15.775 486 H GLU 35 H GLU 35 9.562 -1.164 -14.184 487 HA GLU 35 HA GLU 35 6.795 -1.151 -15.389 488 HA GLU 35 HA GLU 35 7.278 -1.561 -15.807 489 HB2 GLU 35 HB2 GLU 35 8.772 -2.929 -16.746 490 HB2 GLU 35 HB2 GLU 35 9.606 -3.098 -16.506 491 HB3 GLU 35 HB3 GLU 35 7.183 -3.579 -16.369 492 HB3 GLU 35 HB3 GLU 35 8.348 -4.171 -15.910 493 HG2 GLU 35 HG2 GLU 35 7.794 -1.177 -18.073 494 HG2 GLU 35 HG2 GLU 35 8.179 -2.247 -18.210 495 HG3 GLU 35 HG3 GLU 35 7.190 -2.742 -18.615 496 HG3 GLU 35 HG3 GLU 35 8.113 -4.007 -18.266 497 H ARG 36 H ARG 36 5.584 -2.301 -13.977 498 H ARG 36 H ARG 36 5.987 -3.500 -15.032 499 HA ARG 36 HA ARG 36 6.540 -3.043 -11.511 500 HA ARG 36 HA ARG 36 5.918 -3.435 -12.171 501 HB2 ARG 36 HB2 ARG 36 4.128 -2.711 -12.192 502 HB2 ARG 36 HB2 ARG 36 3.853 -3.515 -13.474 503 HB3 ARG 36 HB3 ARG 36 4.164 -4.344 -12.843 504 HB3 ARG 36 HB3 ARG 36 4.318 -5.072 -14.147 505 HG2 ARG 36 HG2 ARG 36 4.860 -5.105 -10.532 506 HG2 ARG 36 HG2 ARG 36 2.794 -5.615 -12.483 507 HG3 ARG 36 HG3 ARG 36 4.435 -3.483 -9.982 508 HG3 ARG 36 HG3 ARG 36 4.362 -5.891 -11.721 509 HD2 ARG 36 HD2 ARG 36 2.164 -3.804 -10.889 510 HD2 ARG 36 HD2 ARG 36 4.228 -3.707 -10.640 511 HD3 ARG 36 HD3 ARG 36 2.603 -5.448 -11.354 512 HD3 ARG 36 HD3 ARG 36 2.678 -3.406 -11.423 513 HE ARG 36 HE ARG 36 3.146 -5.426 -8.720 514 HE ARG 36 HE ARG 36 2.751 -5.798 -9.818 515 HH11 ARG 36 HH11 ARG 36 0.353 -4.439 -10.549 516 HH11 ARG 36 HH11 ARG 36 2.152 -2.369 -9.857 517 HH12 ARG 36 HH12 ARG 36 -0.768 -4.807 -9.280 518 HH12 ARG 36 HH12 ARG 36 1.135 -2.399 -8.454 519 HH21 ARG 36 HH21 ARG 36 1.680 -5.915 -7.044 520 HH21 ARG 36 HH21 ARG 36 1.412 -5.851 -7.972 521 HH22 ARG 36 HH22 ARG 36 -0.013 -5.646 -7.287 522 HH22 ARG 36 HH22 ARG 36 0.716 -4.379 -7.383 523 HA PRO 37 HA PRO 37 8.798 -6.737 -12.729 524 HA PRO 37 HA PRO 37 8.775 -6.866 -11.790 525 HB2 PRO 37 HB2 PRO 37 10.046 -7.036 -10.336 526 HB2 PRO 37 HB2 PRO 37 8.903 -6.772 -9.079 527 HB3 PRO 37 HB3 PRO 37 10.582 -5.881 -11.563 528 HB3 PRO 37 HB3 PRO 37 9.791 -5.656 -10.123 529 HG2 PRO 37 HG2 PRO 37 8.926 -5.412 -9.113 530 HG2 PRO 37 HG2 PRO 37 7.208 -5.240 -8.668 531 HG3 PRO 37 HG3 PRO 37 10.261 -4.443 -9.764 532 HG3 PRO 37 HG3 PRO 37 8.586 -4.138 -8.837 533 HD2 PRO 37 HD2 PRO 37 7.663 -3.775 -10.133 534 HD2 PRO 37 HD2 PRO 37 6.344 -3.905 -10.336 535 HD3 PRO 37 HD3 PRO 37 8.920 -3.419 -11.334 536 HD3 PRO 37 HD3 PRO 37 7.950 -3.463 -10.947 537 H SER 38 H SER 38 6.552 -7.710 -12.711 538 H SER 38 H SER 38 7.516 -8.609 -12.400 539 HA SER 38 HA SER 38 5.932 -9.148 -10.237 540 HA SER 38 HA SER 38 6.228 -10.041 -10.218 541 HB2 SER 38 HB2 SER 38 3.772 -9.589 -11.183 542 HB2 SER 38 HB2 SER 38 4.211 -10.522 -11.607 543 HB3 SER 38 HB3 SER 38 4.138 -7.893 -11.495 544 HB3 SER 38 HB3 SER 38 4.357 -8.821 -11.162 545 HG SER 38 HG SER 38 3.818 -9.982 -13.255 546 HG SER 38 HG SER 38 5.137 -9.960 -13.644 547 H GLY 39 H GLY 39 8.241 -10.035 -11.410 548 H GLY 39 H GLY 39 8.553 -10.849 -11.051 549 HA2 GLY 39 HA2 GLY 39 7.837 -12.783 -11.628 550 HA2 GLY 39 HA2 GLY 39 9.112 -13.176 -11.522 551 HA3 GLY 39 HA3 GLY 39 7.889 -12.145 -13.265 552 HA3 GLY 39 HA3 GLY 39 7.960 -13.115 -12.848 Start of MODEL 16 1 H1 SER 5 H SER 5 0.132 -0.512 -0.616 2 H1 SER 5 H SER 5 0.160 0.330 0.010 3 HA SER 5 HA SER 5 1.607 -0.256 -2.962 4 HA SER 5 HA SER 5 2.422 -0.227 -1.598 5 HB2 SER 5 HB2 SER 5 2.365 -0.304 -0.054 6 HB2 SER 5 HB2 SER 5 1.879 0.311 1.226 7 HB3 SER 5 HB3 SER 5 3.611 -0.196 -1.298 8 HB3 SER 5 HB3 SER 5 3.206 -0.825 0.985 9 HG SER 5 HG SER 5 1.720 1.670 -0.503 10 HG SER 5 HG SER 5 4.391 0.734 0.208 11 H LYS 6 H LYS 6 0.533 -2.871 -2.903 12 H LYS 6 H LYS 6 3.397 -2.087 -2.133 13 HA LYS 6 HA LYS 6 2.206 -4.920 -2.128 14 HA LYS 6 HA LYS 6 3.292 -4.485 -0.683 15 HB2 LYS 6 HB2 LYS 6 1.214 -6.219 -4.010 16 HB2 LYS 6 HB2 LYS 6 1.902 -5.787 -2.390 17 HB3 LYS 6 HB3 LYS 6 0.021 -5.391 -3.018 18 HB3 LYS 6 HB3 LYS 6 1.026 -4.779 -1.245 19 HG2 LYS 6 HG2 LYS 6 0.752 -3.643 -5.123 20 HG2 LYS 6 HG2 LYS 6 0.882 -3.017 -2.980 21 HG3 LYS 6 HG3 LYS 6 0.425 -5.231 -5.822 22 HG3 LYS 6 HG3 LYS 6 1.636 -4.133 -4.121 23 HD2 LYS 6 HD2 LYS 6 -1.718 -4.533 -5.782 24 HD2 LYS 6 HD2 LYS 6 -0.521 -4.622 -4.606 25 HD3 LYS 6 HD3 LYS 6 -1.640 -5.008 -4.083 26 HD3 LYS 6 HD3 LYS 6 -0.349 -5.695 -3.215 27 HE2 LYS 6 HE2 LYS 6 -1.671 -2.873 -3.351 28 HE2 LYS 6 HE2 LYS 6 -1.842 -4.536 -2.032 29 HE3 LYS 6 HE3 LYS 6 -0.686 -2.288 -4.691 30 HE3 LYS 6 HE3 LYS 6 -1.057 -3.005 -2.414 31 HZ1 LYS 6 HZ1 LYS 6 -3.481 -3.112 -5.139 32 HZ1 LYS 6 HZ1 LYS 6 -2.206 -3.091 -4.598 33 HZ2 LYS 6 HZ2 LYS 6 -3.129 -1.565 -4.548 34 HZ2 LYS 6 HZ2 LYS 6 -3.074 -4.438 -4.050 35 HZ3 LYS 6 HZ3 LYS 6 -2.523 -2.057 -6.051 36 HZ3 LYS 6 HZ3 LYS 6 -3.255 -2.943 -3.278 37 H LEU 7 H LEU 7 4.306 -5.154 -2.499 38 H LEU 7 H LEU 7 5.373 -4.895 -1.150 39 HA LEU 7 HA LEU 7 5.304 -5.043 -5.221 40 HA LEU 7 HA LEU 7 6.027 -5.671 -3.867 41 HB2 LEU 7 HB2 LEU 7 5.764 -2.940 -3.301 42 HB2 LEU 7 HB2 LEU 7 7.662 -3.595 -2.418 43 HB3 LEU 7 HB3 LEU 7 7.283 -3.701 -3.771 44 HB3 LEU 7 HB3 LEU 7 8.020 -4.295 -3.996 45 HG LEU 7 HG LEU 7 6.462 -3.304 -6.193 46 HG LEU 7 HG LEU 7 5.583 -2.619 -3.414 47 HD11 LEU 7 HD11 LEU 7 4.363 -2.508 -6.246 48 HD11 LEU 7 HD11 LEU 7 7.700 -1.360 -3.101 49 HD12 LEU 7 HD12 LEU 7 4.444 -1.887 -4.597 50 HD12 LEU 7 HD12 LEU 7 8.140 -1.766 -4.760 51 HD13 LEU 7 HD13 LEU 7 5.140 -0.958 -5.925 52 HD13 LEU 7 HD13 LEU 7 6.717 -0.774 -4.442 53 HD21 LEU 7 HD21 LEU 7 7.140 -0.747 -5.786 54 HD21 LEU 7 HD21 LEU 7 5.128 -2.697 -5.670 55 HD22 LEU 7 HD22 LEU 7 7.659 -1.429 -4.244 56 HD22 LEU 7 HD22 LEU 7 6.790 -3.096 -6.102 57 HD23 LEU 7 HD23 LEU 7 8.307 -2.068 -5.755 58 HD23 LEU 7 HD23 LEU 7 5.748 -4.323 -5.382 59 HA PRO 8 HA PRO 8 7.860 -8.353 -3.892 60 HA PRO 8 HA PRO 8 8.402 -8.738 -1.807 61 HB2 PRO 8 HB2 PRO 8 10.082 -7.989 -5.411 62 HB2 PRO 8 HB2 PRO 8 10.302 -9.252 -3.678 63 HB3 PRO 8 HB3 PRO 8 8.546 -8.560 -6.076 64 HB3 PRO 8 HB3 PRO 8 8.618 -9.764 -3.852 65 HG2 PRO 8 HG2 PRO 8 9.717 -5.805 -6.106 66 HG2 PRO 8 HG2 PRO 8 10.011 -7.394 -5.039 67 HG3 PRO 8 HG3 PRO 8 8.893 -6.686 -7.407 68 HG3 PRO 8 HG3 PRO 8 8.867 -8.516 -5.799 69 HD2 PRO 8 HD2 PRO 8 7.654 -4.795 -5.916 70 HD2 PRO 8 HD2 PRO 8 8.130 -6.069 -4.905 71 HD3 PRO 8 HD3 PRO 8 6.797 -6.202 -6.578 72 HD3 PRO 8 HD3 PRO 8 7.032 -7.463 -4.884 73 HA PRO 9 HA PRO 9 10.595 -6.993 -0.717 74 HA PRO 9 HA PRO 9 12.019 -7.153 0.126 75 HB2 PRO 9 HB2 PRO 9 12.130 -9.213 -0.426 76 HB2 PRO 9 HB2 PRO 9 13.724 -9.265 0.168 77 HB3 PRO 9 HB3 PRO 9 10.454 -9.125 0.129 78 HB3 PRO 9 HB3 PRO 9 12.276 -9.179 1.179 79 HG2 PRO 9 HG2 PRO 9 11.558 -10.333 -2.377 80 HG2 PRO 9 HG2 PRO 9 12.694 -10.621 -1.410 81 HG3 PRO 9 HG3 PRO 9 10.317 -10.968 -1.281 82 HG3 PRO 9 HG3 PRO 9 11.868 -11.175 0.057 83 HD2 PRO 9 HD2 PRO 9 9.709 -9.747 -3.620 84 HD2 PRO 9 HD2 PRO 9 10.529 -10.250 -2.107 85 HD3 PRO 9 HD3 PRO 9 8.660 -9.650 -2.190 86 HD3 PRO 9 HD3 PRO 9 9.932 -10.032 -0.450 87 H GLY 10 H GLY 10 12.216 -5.589 -0.926 88 H GLY 10 H GLY 10 13.382 -5.708 -0.711 89 HA2 GLY 10 HA2 GLY 10 14.616 -5.307 -1.233 90 HA2 GLY 10 HA2 GLY 10 15.470 -5.187 -1.740 91 HA3 GLY 10 HA3 GLY 10 14.492 -6.334 -2.652 92 HA3 GLY 10 HA3 GLY 10 15.267 -6.585 -2.786 93 H TRP 11 H TRP 11 12.052 -5.038 -3.608 94 H TRP 11 H TRP 11 12.672 -4.326 -2.211 95 HA TRP 11 HA TRP 11 13.333 -2.819 -4.956 96 HA TRP 11 HA TRP 11 13.163 -3.006 -4.773 97 HB2 TRP 11 HB2 TRP 11 10.628 -4.125 -5.293 98 HB2 TRP 11 HB2 TRP 11 10.705 -4.609 -4.080 99 HB3 TRP 11 HB3 TRP 11 11.172 -2.754 -6.255 100 HB3 TRP 11 HB3 TRP 11 10.680 -3.347 -5.309 101 HD1 TRP 11 HD1 TRP 11 11.740 -6.500 -5.790 102 HD1 TRP 11 HD1 TRP 11 11.863 -6.899 -4.694 103 HE1 TRP 11 HE1 TRP 11 13.088 -7.387 -7.796 104 HE1 TRP 11 HE1 TRP 11 12.736 -7.890 -6.903 105 HE3 TRP 11 HE3 TRP 11 12.891 -2.050 -8.028 106 HE3 TRP 11 HE3 TRP 11 11.842 -2.659 -7.551 107 HZ2 TRP 11 HZ2 TRP 11 14.458 -6.339 -10.030 108 HZ2 TRP 11 HZ2 TRP 11 13.337 -6.993 -9.511 109 HZ3 TRP 11 HZ3 TRP 11 14.224 -2.079 -10.096 110 HZ3 TRP 11 HZ3 TRP 11 12.581 -2.811 -9.892 111 HH2 TRP 11 HH2 TRP 11 14.990 -4.181 -11.075 112 HH2 TRP 11 HH2 TRP 11 13.314 -4.934 -10.850 113 H GLU 12 H GLU 12 12.250 -0.728 -5.199 114 H GLU 12 H GLU 12 12.901 -0.887 -4.562 115 HA GLU 12 HA GLU 12 10.277 0.025 -3.234 116 HA GLU 12 HA GLU 12 11.012 0.104 -2.531 117 HB2 GLU 12 HB2 GLU 12 11.633 1.688 -2.101 118 HB2 GLU 12 HB2 GLU 12 13.675 0.303 -2.214 119 HB3 GLU 12 HB3 GLU 12 12.368 0.101 -1.924 120 HB3 GLU 12 HB3 GLU 12 13.391 1.759 -3.158 121 HG2 GLU 12 HG2 GLU 12 14.123 0.608 -3.339 122 HG2 GLU 12 HG2 GLU 12 11.787 2.541 -1.516 123 HG3 GLU 12 HG3 GLU 12 13.246 1.922 -4.122 124 HG3 GLU 12 HG3 GLU 12 12.001 1.061 -0.582 125 H LYS 13 H LYS 13 9.167 1.838 -3.811 126 H LYS 13 H LYS 13 9.491 1.382 -3.334 127 HA LYS 13 HA LYS 13 9.700 2.884 -6.463 128 HA LYS 13 HA LYS 13 9.686 2.316 -6.070 129 HB2 LYS 13 HB2 LYS 13 7.410 2.290 -5.888 130 HB2 LYS 13 HB2 LYS 13 7.595 1.315 -5.232 131 HB3 LYS 13 HB3 LYS 13 7.438 3.399 -4.523 132 HB3 LYS 13 HB3 LYS 13 7.450 2.614 -4.055 133 HG2 LYS 13 HG2 LYS 13 8.023 4.538 -7.190 134 HG2 LYS 13 HG2 LYS 13 7.757 3.620 -6.756 135 HG3 LYS 13 HG3 LYS 13 6.364 4.026 -6.873 136 HG3 LYS 13 HG3 LYS 13 6.357 2.558 -6.587 137 HD2 LYS 13 HD2 LYS 13 7.247 5.432 -4.589 138 HD2 LYS 13 HD2 LYS 13 5.404 3.911 -4.912 139 HD3 LYS 13 HD3 LYS 13 7.719 6.387 -5.997 140 HD3 LYS 13 HD3 LYS 13 6.914 4.785 -4.646 141 HE2 LYS 13 HE2 LYS 13 5.614 7.180 -5.824 142 HE2 LYS 13 HE2 LYS 13 6.625 5.485 -7.138 143 HE3 LYS 13 HE3 LYS 13 5.211 5.708 -6.705 144 HE3 LYS 13 HE3 LYS 13 4.939 5.038 -6.877 145 HZ1 LYS 13 HZ1 LYS 13 4.692 6.411 -3.936 146 HZ1 LYS 13 HZ1 LYS 13 5.154 6.553 -4.820 147 HZ2 LYS 13 HZ2 LYS 13 3.802 5.433 -4.991 148 HZ2 LYS 13 HZ2 LYS 13 6.494 7.202 -5.624 149 HZ3 LYS 13 HZ3 LYS 13 5.165 4.809 -4.206 150 HZ3 LYS 13 HZ3 LYS 13 4.963 7.265 -6.344 151 H ARG 14 H ARG 14 10.171 5.000 -6.972 152 H ARG 14 H ARG 14 10.671 4.171 -6.505 153 HA ARG 14 HA ARG 14 10.603 6.879 -4.766 154 HA ARG 14 HA ARG 14 10.290 6.427 -4.648 155 HB2 ARG 14 HB2 ARG 14 12.661 5.792 -6.620 156 HB2 ARG 14 HB2 ARG 14 12.763 5.885 -6.300 157 HB3 ARG 14 HB3 ARG 14 12.755 7.502 -6.222 158 HB3 ARG 14 HB3 ARG 14 12.535 7.195 -5.150 159 HG2 ARG 14 HG2 ARG 14 12.395 6.340 -3.766 160 HG2 ARG 14 HG2 ARG 14 12.090 4.585 -3.959 161 HG3 ARG 14 HG3 ARG 14 13.404 5.165 -4.613 162 HG3 ARG 14 HG3 ARG 14 13.708 4.759 -4.640 163 HD2 ARG 14 HD2 ARG 14 15.186 6.552 -4.689 164 HD2 ARG 14 HD2 ARG 14 12.390 6.600 -2.649 165 HD3 ARG 14 HD3 ARG 14 14.189 7.988 -4.921 166 HD3 ARG 14 HD3 ARG 14 13.691 5.457 -2.317 167 HE ARG 14 HE ARG 14 15.115 6.894 -2.418 168 HE ARG 14 HE ARG 14 14.655 7.092 -4.297 169 HH11 ARG 14 HH11 ARG 14 12.779 8.944 -3.987 170 HH11 ARG 14 HH11 ARG 14 13.405 7.532 -1.078 171 HH12 ARG 14 HH12 ARG 14 12.439 9.868 -2.562 172 HH12 ARG 14 HH12 ARG 14 14.364 8.940 -0.757 173 HH21 ARG 14 HH21 ARG 14 14.676 8.103 -0.534 174 HH21 ARG 14 HH21 ARG 14 15.923 8.943 -3.888 175 HH22 ARG 14 HH22 ARG 14 13.519 9.389 -0.599 176 HH22 ARG 14 HH22 ARG 14 15.796 9.741 -2.357 177 H MET 15 H MET 15 10.890 9.120 -5.516 178 H MET 15 H MET 15 10.678 8.577 -5.731 179 HA MET 15 HA MET 15 9.597 9.585 -8.122 180 HA MET 15 HA MET 15 9.634 8.513 -8.486 181 HB2 MET 15 HB2 MET 15 8.437 10.117 -5.713 182 HB2 MET 15 HB2 MET 15 8.669 9.875 -6.116 183 HB3 MET 15 HB3 MET 15 9.218 11.655 -6.059 184 HB3 MET 15 HB3 MET 15 9.005 11.014 -7.413 185 HG2 MET 15 HG2 MET 15 7.225 12.029 -7.062 186 HG2 MET 15 HG2 MET 15 7.635 9.435 -8.892 187 HG3 MET 15 HG3 MET 15 8.082 11.293 -8.414 188 HG3 MET 15 HG3 MET 15 7.075 8.728 -7.378 189 HE1 MET 15 HE1 MET 15 4.919 11.135 -6.212 190 HE1 MET 15 HE1 MET 15 4.496 10.055 -6.311 191 HE2 MET 15 HE2 MET 15 4.929 11.653 -7.898 192 HE2 MET 15 HE2 MET 15 6.090 9.783 -5.608 193 HE3 MET 15 HE3 MET 15 4.070 10.186 -7.431 194 HE3 MET 15 HE3 MET 15 5.349 11.380 -5.522 195 H SER 16 H SER 16 10.733 10.795 -9.484 196 H SER 16 H SER 16 10.407 10.057 -9.952 197 HA SER 16 HA SER 16 13.298 11.739 -8.942 198 HA SER 16 HA SER 16 13.127 10.696 -9.747 199 HB2 SER 16 HB2 SER 16 12.026 11.318 -11.213 200 HB2 SER 16 HB2 SER 16 11.113 12.032 -11.566 201 HB3 SER 16 HB3 SER 16 11.658 13.037 -11.085 202 HB3 SER 16 HB3 SER 16 12.852 11.897 -11.823 203 HG SER 16 HG SER 16 14.127 11.760 -11.427 204 HG SER 16 HG SER 16 11.901 10.298 -13.018 205 H ARG 17 H ARG 17 13.759 14.214 -9.638 206 H ARG 17 H ARG 17 13.439 13.290 -10.606 207 HA ARG 17 HA ARG 17 12.783 15.751 -7.422 208 HA ARG 17 HA ARG 17 12.890 14.751 -8.136 209 HB2 ARG 17 HB2 ARG 17 14.454 16.745 -9.730 210 HB2 ARG 17 HB2 ARG 17 15.197 14.745 -8.831 211 HB3 ARG 17 HB3 ARG 17 14.331 17.439 -8.119 212 HB3 ARG 17 HB3 ARG 17 14.762 15.303 -10.441 213 HG2 ARG 17 HG2 ARG 17 16.249 16.343 -7.761 214 HG2 ARG 17 HG2 ARG 17 13.731 17.192 -8.628 215 HG3 ARG 17 HG3 ARG 17 15.197 14.945 -7.529 216 HG3 ARG 17 HG3 ARG 17 15.379 16.827 -8.113 217 HD2 ARG 17 HD2 ARG 17 16.515 14.013 -9.098 218 HD2 ARG 17 HD2 ARG 17 14.594 17.560 -10.929 219 HD3 ARG 17 HD3 ARG 17 15.479 14.905 -10.212 220 HD3 ARG 17 HD3 ARG 17 15.213 18.705 -9.740 221 HE ARG 17 HE ARG 17 17.778 16.376 -9.285 222 HE ARG 17 HE ARG 17 17.126 16.816 -9.770 223 HH11 ARG 17 HH11 ARG 17 16.520 14.199 -11.693 224 HH11 ARG 17 HH11 ARG 17 15.519 18.567 -12.315 225 HH12 ARG 17 HH12 ARG 17 17.702 14.627 -12.886 226 HH12 ARG 17 HH12 ARG 17 16.881 18.522 -13.384 227 HH21 ARG 17 HH21 ARG 17 19.340 16.948 -10.847 228 HH21 ARG 17 HH21 ARG 17 18.925 16.749 -11.169 229 HH22 ARG 17 HH22 ARG 17 19.305 16.190 -12.403 230 HH22 ARG 17 HH22 ARG 17 18.818 17.487 -12.731 231 H ASN 18 H ASN 18 13.005 16.843 -10.794 232 H ASN 18 H ASN 18 13.327 16.150 -11.343 233 HA ASN 18 HA ASN 18 10.340 18.056 -10.478 234 HA ASN 18 HA ASN 18 11.062 17.889 -10.915 235 HB2 ASN 18 HB2 ASN 18 11.025 19.715 -12.130 236 HB2 ASN 18 HB2 ASN 18 13.168 18.705 -11.949 237 HB3 ASN 18 HB3 ASN 18 12.186 19.668 -10.806 238 HB3 ASN 18 HB3 ASN 18 12.873 17.653 -13.329 239 HD21 ASN 18 HD21 ASN 18 14.246 19.536 -11.326 240 HD21 ASN 18 HD21 ASN 18 12.325 18.884 -14.975 241 HD22 ASN 18 HD22 ASN 18 14.876 19.030 -12.853 242 HD22 ASN 18 HD22 ASN 18 11.164 20.163 -14.945 243 H SER 19 H SER 19 11.454 15.344 -11.596 244 H SER 19 H SER 19 11.759 14.975 -12.648 245 HA SER 19 HA SER 19 9.825 15.409 -14.051 246 HA SER 19 HA SER 19 9.513 15.175 -14.439 247 HB2 SER 19 HB2 SER 19 11.303 13.796 -15.075 248 HB2 SER 19 HB2 SER 19 10.155 12.581 -14.611 249 HB3 SER 19 HB3 SER 19 12.276 15.149 -14.500 250 HB3 SER 19 HB3 SER 19 11.088 13.836 -15.428 251 HG SER 19 HG SER 19 12.948 12.852 -14.008 252 HG SER 19 HG SER 19 12.718 13.385 -14.189 253 H GLY 20 H GLY 20 8.148 14.881 -12.365 254 H GLY 20 H GLY 20 10.188 13.720 -11.323 255 HA2 GLY 20 HA2 GLY 20 8.030 12.610 -10.830 256 HA2 GLY 20 HA2 GLY 20 8.818 12.721 -9.775 257 HA3 GLY 20 HA3 GLY 20 6.630 13.315 -11.626 258 HA3 GLY 20 HA3 GLY 20 7.503 13.594 -10.548 259 H ARG 21 H ARG 21 8.795 10.686 -11.523 260 H ARG 21 H ARG 21 9.196 11.559 -12.670 261 HA ARG 21 HA ARG 21 7.245 9.296 -13.538 262 HA ARG 21 HA ARG 21 6.983 9.988 -13.299 263 HB2 ARG 21 HB2 ARG 21 10.015 10.215 -13.981 264 HB2 ARG 21 HB2 ARG 21 9.570 10.307 -14.277 265 HB3 ARG 21 HB3 ARG 21 9.710 8.531 -14.384 266 HB3 ARG 21 HB3 ARG 21 9.497 8.616 -13.802 267 HG2 ARG 21 HG2 ARG 21 7.795 10.560 -15.390 268 HG2 ARG 21 HG2 ARG 21 8.007 8.080 -15.418 269 HG3 ARG 21 HG3 ARG 21 9.391 10.480 -16.140 270 HG3 ARG 21 HG3 ARG 21 7.216 9.657 -15.366 271 HD2 ARG 21 HD2 ARG 21 7.594 8.090 -15.776 272 HD2 ARG 21 HD2 ARG 21 8.444 9.237 -17.478 273 HD3 ARG 21 HD3 ARG 21 7.614 9.081 -17.236 274 HD3 ARG 21 HD3 ARG 21 9.012 10.660 -16.606 275 HE ARG 21 HE ARG 21 10.227 8.198 -16.583 276 HE ARG 21 HE ARG 21 10.686 8.752 -15.732 277 HH11 ARG 21 HH11 ARG 21 7.203 7.106 -17.922 278 HH11 ARG 21 HH11 ARG 21 9.657 9.674 -18.928 279 HH12 ARG 21 HH12 ARG 21 7.929 5.863 -18.887 280 HH12 ARG 21 HH12 ARG 21 11.142 9.200 -19.684 281 HH21 ARG 21 HH21 ARG 21 11.194 6.564 -17.849 282 HH21 ARG 21 HH21 ARG 21 12.645 8.124 -16.717 283 HH22 ARG 21 HH22 ARG 21 10.199 5.555 -18.843 284 HH22 ARG 21 HH22 ARG 21 12.840 8.318 -18.426 285 H VAL 22 H VAL 22 6.610 8.054 -11.722 286 H VAL 22 H VAL 22 6.690 7.667 -13.033 287 HA VAL 22 HA VAL 22 8.191 6.822 -9.846 288 HA VAL 22 HA VAL 22 7.412 6.829 -10.318 289 HB VAL 22 HB VAL 22 5.650 5.897 -11.162 290 HB VAL 22 HB VAL 22 5.218 5.969 -12.191 291 HG11 VAL 22 HG11 VAL 22 5.516 4.222 -9.288 292 HG11 VAL 22 HG11 VAL 22 5.995 3.920 -11.275 293 HG12 VAL 22 HG12 VAL 22 6.699 3.858 -10.545 294 HG12 VAL 22 HG12 VAL 22 6.160 4.624 -9.667 295 HG13 VAL 22 HG13 VAL 22 7.230 4.522 -8.999 296 HG13 VAL 22 HG13 VAL 22 4.557 4.375 -10.360 297 HG21 VAL 22 HG21 VAL 22 4.572 6.712 -9.281 298 HG21 VAL 22 HG21 VAL 22 4.933 6.812 -9.332 299 HG22 VAL 22 HG22 VAL 22 6.025 6.628 -8.285 300 HG22 VAL 22 HG22 VAL 22 5.106 8.014 -10.611 301 HG23 VAL 22 HG23 VAL 22 5.867 7.887 -9.509 302 HG23 VAL 22 HG23 VAL 22 3.752 6.884 -10.639 303 H TYR 23 H TYR 23 9.389 4.966 -9.709 304 H TYR 23 H TYR 23 8.531 4.987 -9.895 305 HA TYR 23 HA TYR 23 9.578 3.184 -11.997 306 HA TYR 23 HA TYR 23 8.970 2.921 -11.798 307 HB2 TYR 23 HB2 TYR 23 12.035 3.402 -12.139 308 HB2 TYR 23 HB2 TYR 23 11.232 3.260 -12.380 309 HB3 TYR 23 HB3 TYR 23 11.211 4.898 -12.562 310 HB3 TYR 23 HB3 TYR 23 10.465 4.826 -12.621 311 HD1 TYR 23 HD1 TYR 23 13.721 3.412 -10.528 312 HD1 TYR 23 HD1 TYR 23 13.231 3.186 -11.228 313 HD2 TYR 23 HD2 TYR 23 10.999 6.679 -10.704 314 HD2 TYR 23 HD2 TYR 23 10.567 6.424 -10.508 315 HE1 TYR 23 HE1 TYR 23 15.071 4.620 -8.865 316 HE1 TYR 23 HE1 TYR 23 14.900 4.222 -9.747 317 HE2 TYR 23 HE2 TYR 23 12.343 7.894 -9.041 318 HE2 TYR 23 HE2 TYR 23 12.229 7.471 -9.027 319 HH TYR 23 HH TYR 23 14.887 7.813 -8.314 320 HH TYR 23 HH TYR 23 15.016 7.224 -8.925 321 H TYR 24 H TYR 24 11.141 1.355 -11.509 322 H TYR 24 H TYR 24 11.287 1.806 -10.912 323 HA TYR 24 HA TYR 24 10.795 0.587 -8.695 324 HA TYR 24 HA TYR 24 10.949 1.577 -7.998 325 HB2 TYR 24 HB2 TYR 24 10.991 -0.978 -11.249 326 HB2 TYR 24 HB2 TYR 24 11.279 -0.708 -9.953 327 HB3 TYR 24 HB3 TYR 24 11.353 -1.749 -9.708 328 HB3 TYR 24 HB3 TYR 24 11.290 -0.869 -8.200 329 HD1 TYR 24 HD1 TYR 24 8.702 0.087 -11.553 330 HD1 TYR 24 HD1 TYR 24 9.235 -0.498 -11.164 331 HD2 TYR 24 HD2 TYR 24 9.622 -2.526 -8.323 332 HD2 TYR 24 HD2 TYR 24 9.213 -0.439 -6.909 333 HE1 TYR 24 HE1 TYR 24 6.301 -0.308 -11.195 334 HE1 TYR 24 HE1 TYR 24 6.788 -0.749 -11.178 335 HE2 TYR 24 HE2 TYR 24 7.224 -2.928 -7.958 336 HE2 TYR 24 HE2 TYR 24 6.767 -0.691 -6.912 337 HH TYR 24 HH TYR 24 4.862 -2.109 -10.183 338 HH TYR 24 HH TYR 24 4.945 -0.906 -9.957 339 H PHE 25 H PHE 25 12.519 0.707 -7.436 340 H PHE 25 H PHE 25 12.813 0.772 -6.858 341 HA PHE 25 HA PHE 25 15.174 0.269 -8.637 342 HA PHE 25 HA PHE 25 15.336 0.922 -8.349 343 HB2 PHE 25 HB2 PHE 25 14.956 2.600 -8.020 344 HB2 PHE 25 HB2 PHE 25 14.626 3.086 -7.048 345 HB3 PHE 25 HB3 PHE 25 14.394 2.160 -6.410 346 HB3 PHE 25 HB3 PHE 25 15.157 2.178 -5.635 347 HD1 PHE 25 HD1 PHE 25 17.320 1.805 -8.678 348 HD1 PHE 25 HD1 PHE 25 16.357 3.030 -9.065 349 HD2 PHE 25 HD2 PHE 25 15.907 1.997 -4.668 350 HD2 PHE 25 HD2 PHE 25 17.333 2.431 -4.966 351 HE1 PHE 25 HE1 PHE 25 19.642 1.846 -7.865 352 HE1 PHE 25 HE1 PHE 25 18.684 3.681 -9.527 353 HE2 PHE 25 HE2 PHE 25 18.225 2.038 -3.848 354 HE2 PHE 25 HE2 PHE 25 19.661 3.082 -5.421 355 HZ PHE 25 HZ PHE 25 20.097 1.963 -5.446 356 HZ PHE 25 HZ PHE 25 20.339 3.709 -7.704 357 H ASN 26 H ASN 26 16.532 -1.134 -7.645 358 H ASN 26 H ASN 26 16.767 -0.618 -7.820 359 HA ASN 26 HA ASN 26 15.503 -2.483 -5.238 360 HA ASN 26 HA ASN 26 16.155 -2.287 -5.472 361 HB2 ASN 26 HB2 ASN 26 15.746 -3.811 -7.402 362 HB2 ASN 26 HB2 ASN 26 16.051 -3.298 -7.828 363 HB3 ASN 26 HB3 ASN 26 17.486 -3.642 -7.193 364 HB3 ASN 26 HB3 ASN 26 17.807 -3.155 -7.840 365 HD21 ASN 26 HD21 ASN 26 15.664 -5.992 -7.143 366 HD21 ASN 26 HD21 ASN 26 15.453 -5.284 -7.410 367 HD22 ASN 26 HD22 ASN 26 16.006 -6.789 -5.648 368 HD22 ASN 26 HD22 ASN 26 16.185 -6.356 -6.269 369 H HIS 27 H HIS 27 16.739 -2.602 -3.447 370 H HIS 27 H HIS 27 17.526 -2.158 -3.833 371 HA HIS 27 HA HIS 27 19.299 -1.183 -3.500 372 HA HIS 27 HA HIS 27 20.079 -0.833 -4.161 373 HB2 HIS 27 HB2 HIS 27 19.060 -0.929 -1.123 374 HB2 HIS 27 HB2 HIS 27 20.221 -1.238 -1.649 375 HB3 HIS 27 HB3 HIS 27 17.522 -0.504 -1.868 376 HB3 HIS 27 HB3 HIS 27 18.909 -0.200 -2.202 377 HD1 HIS 27 HD1 HIS 27 15.495 -1.903 -1.258 378 HD1 HIS 27 HD1 HIS 27 19.489 -3.783 -1.105 379 HD2 HIS 27 HD2 HIS 27 19.042 -3.388 0.315 380 HD2 HIS 27 HD2 HIS 27 16.428 -0.990 -1.403 381 HE1 HIS 27 HE1 HIS 27 14.811 -3.690 0.373 382 HE1 HIS 27 HE1 HIS 27 17.497 -4.848 0.001 383 H ILE 28 H ILE 28 18.876 -3.986 -4.427 384 H ILE 28 H ILE 28 18.880 -4.044 -4.027 385 HA ILE 28 HA ILE 28 20.890 -5.244 -2.688 386 HA ILE 28 HA ILE 28 21.353 -5.251 -3.165 387 HB ILE 28 HB ILE 28 18.646 -6.721 -4.066 388 HB ILE 28 HB ILE 28 18.794 -6.404 -4.261 389 HG12 ILE 28 HG12 ILE 28 18.979 -5.749 -1.238 390 HG12 ILE 28 HG12 ILE 28 20.122 -6.404 -1.546 391 HG13 ILE 28 HG13 ILE 28 17.592 -5.569 -2.308 392 HG13 ILE 28 HG13 ILE 28 18.597 -5.646 -1.990 393 HG21 ILE 28 HG21 ILE 28 21.036 -7.731 -3.467 394 HG21 ILE 28 HG21 ILE 28 21.297 -7.866 -3.432 395 HG22 ILE 28 HG22 ILE 28 20.265 -7.917 -1.891 396 HG22 ILE 28 HG22 ILE 28 19.737 -8.627 -3.745 397 HG23 ILE 28 HG23 ILE 28 19.549 -8.667 -3.318 398 HG23 ILE 28 HG23 ILE 28 20.597 -7.807 -5.049 399 HD11 ILE 28 HD11 ILE 28 17.054 -7.154 -0.609 400 HD11 ILE 28 HD11 ILE 28 19.214 -8.538 -1.573 401 HD12 ILE 28 HD12 ILE 28 17.224 -8.016 -2.139 402 HD12 ILE 28 HD12 ILE 28 17.943 -7.549 -0.855 403 HD13 ILE 28 HD13 ILE 28 18.518 -8.081 -0.941 404 HD13 ILE 28 HD13 ILE 28 17.829 -8.039 -2.545 405 H THR 29 H THR 29 19.302 -5.752 -5.844 406 H THR 29 H THR 29 19.676 -4.690 -6.213 407 HA THR 29 HA THR 29 21.885 -6.546 -6.969 408 HA THR 29 HA THR 29 21.926 -5.902 -7.665 409 HB THR 29 HB THR 29 20.659 -7.412 -8.862 410 HB THR 29 HB THR 29 20.409 -5.739 -9.666 411 HG1 THR 29 HG1 THR 29 18.528 -7.006 -9.173 412 HG1 THR 29 HG1 THR 29 18.296 -5.179 -9.359 413 HG21 THR 29 HG21 THR 29 19.078 -8.994 -7.657 414 HG21 THR 29 HG21 THR 29 18.805 -7.551 -8.766 415 HG22 THR 29 HG22 THR 29 20.743 -8.966 -7.077 416 HG22 THR 29 HG22 THR 29 20.538 -7.878 -8.738 417 HG23 THR 29 HG23 THR 29 19.483 -8.119 -6.180 418 HG23 THR 29 HG23 THR 29 19.708 -7.390 -7.260 419 H ASN 30 H ASN 30 21.226 -3.748 -6.334 420 H ASN 30 H ASN 30 20.532 -2.908 -6.829 421 HA ASN 30 HA ASN 30 20.854 -1.696 -7.441 422 HA ASN 30 HA ASN 30 21.109 -0.757 -7.298 423 HB2 ASN 30 HB2 ASN 30 23.430 -2.670 -7.296 424 HB2 ASN 30 HB2 ASN 30 23.468 -2.094 -7.426 425 HB3 ASN 30 HB3 ASN 30 23.295 -2.184 -8.983 426 HB3 ASN 30 HB3 ASN 30 23.383 -1.440 -9.059 427 HD21 ASN 30 HD21 ASN 30 21.480 -0.052 -8.601 428 HD21 ASN 30 HD21 ASN 30 22.046 0.944 -8.517 429 HD22 ASN 30 HD22 ASN 30 22.326 1.223 -7.797 430 HD22 ASN 30 HD22 ASN 30 23.096 1.968 -7.605 431 H ALA 31 H ALA 31 19.019 -2.204 -8.775 432 H ALA 31 H ALA 31 19.761 -2.743 -9.319 433 HA ALA 31 HA ALA 31 19.622 -1.908 -11.586 434 HA ALA 31 HA ALA 31 20.044 -1.144 -11.754 435 HB1 ALA 31 HB1 ALA 31 19.665 -4.358 -11.268 436 HB1 ALA 31 HB1 ALA 31 18.898 -2.925 -12.893 437 HB2 ALA 31 HB2 ALA 31 18.003 -4.287 -10.683 438 HB2 ALA 31 HB2 ALA 31 20.180 -3.616 -11.899 439 HB3 ALA 31 HB3 ALA 31 18.374 -3.830 -12.346 440 HB3 ALA 31 HB3 ALA 31 18.503 -3.705 -11.362 441 H SER 32 H SER 32 18.203 -0.548 -12.466 442 H SER 32 H SER 32 18.129 -0.444 -12.911 443 HA SER 32 HA SER 32 15.782 0.101 -10.960 444 HA SER 32 HA SER 32 15.773 -0.040 -11.201 445 HB2 SER 32 HB2 SER 32 16.182 1.769 -13.275 446 HB2 SER 32 HB2 SER 32 17.333 1.994 -11.329 447 HB3 SER 32 HB3 SER 32 16.195 2.218 -11.570 448 HB3 SER 32 HB3 SER 32 16.826 2.129 -13.013 449 HG SER 32 HG SER 32 18.200 2.668 -12.498 450 HG SER 32 HG SER 32 14.998 2.020 -10.851 451 H GLN 33 H GLN 33 13.781 0.543 -12.177 452 H GLN 33 H GLN 33 13.893 -0.474 -12.170 453 HA GLN 33 HA GLN 33 13.456 -0.611 -14.785 454 HA GLN 33 HA GLN 33 13.773 -0.475 -15.103 455 HB2 GLN 33 HB2 GLN 33 13.382 -2.455 -12.812 456 HB2 GLN 33 HB2 GLN 33 12.707 -2.602 -15.187 457 HB3 GLN 33 HB3 GLN 33 11.697 -1.956 -12.822 458 HB3 GLN 33 HB3 GLN 33 14.149 -2.797 -14.199 459 HG2 GLN 33 HG2 GLN 33 11.291 -3.163 -14.627 460 HG2 GLN 33 HG2 GLN 33 12.868 -2.815 -12.193 461 HG3 GLN 33 HG3 GLN 33 12.602 -2.380 -15.506 462 HG3 GLN 33 HG3 GLN 33 11.404 -2.351 -13.061 463 HE21 GLN 33 HE21 GLN 33 12.691 -4.428 -12.626 464 HE21 GLN 33 HE21 GLN 33 10.055 -3.996 -13.047 465 HE22 GLN 33 HE22 GLN 33 13.689 -5.658 -13.315 466 HE22 GLN 33 HE22 GLN 33 10.456 -5.644 -13.371 467 H PHE 34 H PHE 34 10.853 -0.906 -15.060 468 H PHE 34 H PHE 34 11.635 -0.277 -15.980 469 HA PHE 34 HA PHE 34 9.515 1.373 -13.801 470 HA PHE 34 HA PHE 34 9.891 1.274 -14.228 471 HB2 PHE 34 HB2 PHE 34 10.217 1.106 -16.666 472 HB2 PHE 34 HB2 PHE 34 10.155 0.975 -17.200 473 HB3 PHE 34 HB3 PHE 34 8.586 1.669 -16.319 474 HB3 PHE 34 HB3 PHE 34 8.670 1.624 -16.510 475 HD1 PHE 34 HD1 PHE 34 12.126 2.470 -16.228 476 HD1 PHE 34 HD1 PHE 34 11.654 2.529 -17.939 477 HD2 PHE 34 HD2 PHE 34 8.227 3.778 -15.127 478 HD2 PHE 34 HD2 PHE 34 9.217 3.463 -14.577 479 HE1 PHE 34 HE1 PHE 34 12.997 4.741 -15.858 480 HE1 PHE 34 HE1 PHE 34 12.699 4.752 -17.804 481 HE2 PHE 34 HE2 PHE 34 9.091 6.051 -14.756 482 HE2 PHE 34 HE2 PHE 34 10.256 5.689 -14.438 483 HZ PHE 34 HZ PHE 34 11.479 6.536 -15.123 484 HZ PHE 34 HZ PHE 34 11.998 6.337 -16.054 485 H GLU 35 H GLU 35 9.252 -1.473 -15.883 486 H GLU 35 H GLU 35 9.956 -1.715 -16.037 487 HA GLU 35 HA GLU 35 6.397 -1.659 -15.542 488 HA GLU 35 HA GLU 35 7.221 -2.325 -16.007 489 HB2 GLU 35 HB2 GLU 35 8.490 -3.240 -16.964 490 HB2 GLU 35 HB2 GLU 35 9.736 -3.891 -16.292 491 HB3 GLU 35 HB3 GLU 35 6.963 -4.029 -16.591 492 HB3 GLU 35 HB3 GLU 35 8.262 -4.779 -15.935 493 HG2 GLU 35 HG2 GLU 35 5.737 -2.450 -17.872 494 HG2 GLU 35 HG2 GLU 35 9.019 -4.360 -18.401 495 HG3 GLU 35 HG3 GLU 35 7.151 -1.413 -18.057 496 HG3 GLU 35 HG3 GLU 35 7.315 -4.306 -17.955 497 H ARG 36 H ARG 36 5.339 -2.680 -13.971 498 H ARG 36 H ARG 36 6.080 -3.878 -14.685 499 HA ARG 36 HA ARG 36 6.457 -3.561 -11.632 500 HA ARG 36 HA ARG 36 6.533 -3.423 -11.889 501 HB2 ARG 36 HB2 ARG 36 4.030 -3.110 -12.032 502 HB2 ARG 36 HB2 ARG 36 4.262 -3.494 -12.775 503 HB3 ARG 36 HB3 ARG 36 3.918 -4.667 -12.840 504 HB3 ARG 36 HB3 ARG 36 4.503 -5.151 -13.314 505 HG2 ARG 36 HG2 ARG 36 4.770 -5.688 -10.681 506 HG2 ARG 36 HG2 ARG 36 3.349 -5.487 -11.369 507 HG3 ARG 36 HG3 ARG 36 4.470 -4.113 -9.943 508 HG3 ARG 36 HG3 ARG 36 5.013 -5.581 -10.786 509 HD2 ARG 36 HD2 ARG 36 2.133 -4.237 -10.534 510 HD2 ARG 36 HD2 ARG 36 4.924 -3.302 -10.018 511 HD3 ARG 36 HD3 ARG 36 2.402 -5.741 -11.415 512 HD3 ARG 36 HD3 ARG 36 3.328 -3.082 -10.736 513 HE ARG 36 HE ARG 36 2.246 -6.855 -9.434 514 HE ARG 36 HE ARG 36 3.345 -5.216 -8.853 515 HH11 ARG 36 HH11 ARG 36 3.029 -3.528 -8.773 516 HH11 ARG 36 HH11 ARG 36 3.273 -1.746 -9.131 517 HH12 ARG 36 HH12 ARG 36 2.910 -3.706 -7.053 518 HH12 ARG 36 HH12 ARG 36 2.466 -1.511 -7.615 519 HH21 ARG 36 HH21 ARG 36 2.086 -7.102 -7.172 520 HH21 ARG 36 HH21 ARG 36 2.283 -4.921 -6.856 521 HH22 ARG 36 HH22 ARG 36 2.375 -5.739 -6.145 522 HH22 ARG 36 HH22 ARG 36 1.903 -3.318 -6.322 523 HA PRO 37 HA PRO 37 8.453 -7.292 -13.167 524 HA PRO 37 HA PRO 37 9.153 -6.975 -11.338 525 HB2 PRO 37 HB2 PRO 37 9.911 -7.706 -10.914 526 HB2 PRO 37 HB2 PRO 37 9.361 -6.765 -8.640 527 HB3 PRO 37 HB3 PRO 37 10.374 -6.536 -12.155 528 HB3 PRO 37 HB3 PRO 37 10.249 -5.721 -9.755 529 HG2 PRO 37 HG2 PRO 37 8.976 -6.079 -9.547 530 HG2 PRO 37 HG2 PRO 37 7.721 -5.168 -8.252 531 HG3 PRO 37 HG3 PRO 37 10.281 -5.141 -10.297 532 HG3 PRO 37 HG3 PRO 37 9.124 -4.115 -8.506 533 HD2 PRO 37 HD2 PRO 37 7.688 -4.369 -10.397 534 HD2 PRO 37 HD2 PRO 37 6.846 -3.883 -9.953 535 HD3 PRO 37 HD3 PRO 37 8.838 -4.023 -11.705 536 HD3 PRO 37 HD3 PRO 37 8.447 -3.515 -10.627 537 H SER 38 H SER 38 6.192 -8.192 -12.966 538 H SER 38 H SER 38 7.661 -8.602 -11.909 539 HA SER 38 HA SER 38 5.687 -9.619 -10.471 540 HA SER 38 HA SER 38 6.469 -9.952 -9.609 541 HB2 SER 38 HB2 SER 38 3.487 -10.025 -11.298 542 HB2 SER 38 HB2 SER 38 4.731 -8.495 -10.807 543 HB3 SER 38 HB3 SER 38 3.871 -8.358 -11.725 544 HB3 SER 38 HB3 SER 38 4.877 -9.626 -12.152 545 HG SER 38 HG SER 38 3.074 -10.217 -13.348 546 HG SER 38 HG SER 38 4.378 -10.552 -9.538 547 H GLY 39 H GLY 39 7.926 -10.605 -11.585 548 H GLY 39 H GLY 39 8.749 -10.818 -10.616 549 HA2 GLY 39 HA2 GLY 39 7.180 -12.957 -13.166 550 HA2 GLY 39 HA2 GLY 39 8.264 -12.752 -12.738 551 HA3 GLY 39 HA3 GLY 39 8.815 -12.377 -12.885 552 HA3 GLY 39 HA3 GLY 39 9.807 -12.411 -11.969 Start of MODEL 17 1 H1 SER 5 H SER 5 0.343 0.482 -3.251 2 H1 SER 5 H SER 5 0.189 1.207 -3.446 3 HA SER 5 HA SER 5 2.026 -0.006 -1.368 4 HA SER 5 HA SER 5 2.426 0.445 -2.235 5 HB2 SER 5 HB2 SER 5 -0.731 -0.924 -1.688 6 HB2 SER 5 HB2 SER 5 0.530 1.746 -1.188 7 HB3 SER 5 HB3 SER 5 0.188 -1.908 -0.548 8 HB3 SER 5 HB3 SER 5 -0.220 0.200 -0.789 9 HG SER 5 HG SER 5 0.669 -0.042 0.614 10 HG SER 5 HG SER 5 2.064 1.405 0.269 11 H LYS 6 H LYS 6 0.487 -3.000 -2.512 12 H LYS 6 H LYS 6 2.783 -1.619 -3.484 13 HA LYS 6 HA LYS 6 2.384 -4.755 -1.550 14 HA LYS 6 HA LYS 6 2.538 -3.830 -1.675 15 HB2 LYS 6 HB2 LYS 6 1.519 -6.370 -3.199 16 HB2 LYS 6 HB2 LYS 6 1.451 -5.312 -3.443 17 HB3 LYS 6 HB3 LYS 6 0.225 -5.502 -2.383 18 HB3 LYS 6 HB3 LYS 6 0.400 -4.175 -2.608 19 HG2 LYS 6 HG2 LYS 6 0.578 -3.928 -4.545 20 HG2 LYS 6 HG2 LYS 6 0.636 -2.630 -4.539 21 HG3 LYS 6 HG3 LYS 6 1.015 -5.503 -5.213 22 HG3 LYS 6 HG3 LYS 6 1.543 -3.890 -5.378 23 HD2 LYS 6 HD2 LYS 6 -1.266 -5.439 -5.586 24 HD2 LYS 6 HD2 LYS 6 -0.748 -3.970 -6.105 25 HD3 LYS 6 HD3 LYS 6 -1.173 -6.302 -4.049 26 HD3 LYS 6 HD3 LYS 6 -0.418 -5.396 -5.119 27 HE2 LYS 6 HE2 LYS 6 -1.467 -4.032 -2.939 28 HE2 LYS 6 HE2 LYS 6 -1.692 -4.631 -3.352 29 HE3 LYS 6 HE3 LYS 6 -1.903 -3.425 -4.536 30 HE3 LYS 6 HE3 LYS 6 -1.534 -2.943 -3.834 31 HZ1 LYS 6 HZ1 LYS 6 -3.416 -5.088 -2.718 32 HZ1 LYS 6 HZ1 LYS 6 -2.852 -4.290 -5.889 33 HZ2 LYS 6 HZ2 LYS 6 -3.957 -4.020 -3.912 34 HZ2 LYS 6 HZ2 LYS 6 -3.599 -4.745 -4.440 35 HZ3 LYS 6 HZ3 LYS 6 -3.471 -5.585 -4.334 36 HZ3 LYS 6 HZ3 LYS 6 -3.476 -3.109 -4.851 37 H LEU 7 H LEU 7 4.463 -5.020 -1.989 38 H LEU 7 H LEU 7 4.654 -4.301 -1.716 39 HA LEU 7 HA LEU 7 5.421 -4.947 -4.720 40 HA LEU 7 HA LEU 7 5.778 -5.307 -4.199 41 HB2 LEU 7 HB2 LEU 7 5.748 -2.713 -2.940 42 HB2 LEU 7 HB2 LEU 7 7.209 -3.188 -2.606 43 HB3 LEU 7 HB3 LEU 7 7.318 -3.403 -3.345 44 HB3 LEU 7 HB3 LEU 7 7.784 -3.975 -4.075 45 HG LEU 7 HG LEU 7 6.455 -3.224 -5.800 46 HG LEU 7 HG LEU 7 5.341 -2.210 -3.972 47 HD11 LEU 7 HD11 LEU 7 5.088 -0.892 -5.660 48 HD11 LEU 7 HD11 LEU 7 8.219 -1.559 -4.224 49 HD12 LEU 7 HD12 LEU 7 4.340 -2.475 -5.870 50 HD12 LEU 7 HD12 LEU 7 7.104 -0.728 -5.309 51 HD13 LEU 7 HD13 LEU 7 4.431 -1.750 -4.266 52 HD13 LEU 7 HD13 LEU 7 6.891 -0.605 -3.563 53 HD21 LEU 7 HD21 LEU 7 7.564 -1.121 -4.008 54 HD21 LEU 7 HD21 LEU 7 5.847 -4.011 -5.824 55 HD22 LEU 7 HD22 LEU 7 8.313 -1.958 -5.368 56 HD22 LEU 7 HD22 LEU 7 5.237 -2.412 -6.249 57 HD23 LEU 7 HD23 LEU 7 7.130 -0.683 -5.660 58 HD23 LEU 7 HD23 LEU 7 6.956 -2.770 -6.410 59 HA PRO 8 HA PRO 8 8.138 -8.057 -3.230 60 HA PRO 8 HA PRO 8 7.608 -8.262 -1.513 61 HB2 PRO 8 HB2 PRO 8 10.232 -7.773 -4.934 62 HB2 PRO 8 HB2 PRO 8 9.794 -8.970 -2.961 63 HB3 PRO 8 HB3 PRO 8 8.680 -8.462 -5.426 64 HB3 PRO 8 HB3 PRO 8 8.151 -9.452 -3.402 65 HG2 PRO 8 HG2 PRO 8 9.729 -5.685 -5.815 66 HG2 PRO 8 HG2 PRO 8 9.827 -7.219 -4.485 67 HG3 PRO 8 HG3 PRO 8 8.855 -6.722 -6.958 68 HG3 PRO 8 HG3 PRO 8 8.797 -8.370 -5.357 69 HD2 PRO 8 HD2 PRO 8 7.644 -4.733 -5.576 70 HD2 PRO 8 HD2 PRO 8 8.006 -5.842 -4.797 71 HD3 PRO 8 HD3 PRO 8 6.803 -6.229 -6.031 72 HD3 PRO 8 HD3 PRO 8 6.868 -7.202 -4.875 73 HA PRO 9 HA PRO 9 10.996 -6.250 -0.401 74 HA PRO 9 HA PRO 9 10.847 -6.577 0.939 75 HB2 PRO 9 HB2 PRO 9 12.576 -8.402 0.088 76 HB2 PRO 9 HB2 PRO 9 12.370 -8.739 1.547 77 HB3 PRO 9 HB3 PRO 9 10.933 -8.254 0.722 78 HB3 PRO 9 HB3 PRO 9 10.762 -8.475 2.230 79 HG2 PRO 9 HG2 PRO 9 11.913 -9.770 -1.666 80 HG2 PRO 9 HG2 PRO 9 11.586 -10.225 -0.054 81 HG3 PRO 9 HG3 PRO 9 10.744 -10.267 -0.427 82 HG3 PRO 9 HG3 PRO 9 10.455 -10.569 1.267 83 HD2 PRO 9 HD2 PRO 9 9.988 -9.364 -2.866 84 HD2 PRO 9 HD2 PRO 9 9.626 -9.848 -1.208 85 HD3 PRO 9 HD3 PRO 9 9.020 -9.089 -1.404 86 HD3 PRO 9 HD3 PRO 9 8.732 -9.413 0.261 87 H GLY 10 H GLY 10 12.786 -5.044 -0.606 88 H GLY 10 H GLY 10 12.271 -5.229 0.004 89 HA2 GLY 10 HA2 GLY 10 15.111 -4.800 -1.166 90 HA2 GLY 10 HA2 GLY 10 14.732 -5.206 -0.492 91 HA3 GLY 10 HA3 GLY 10 14.865 -5.918 -2.500 92 HA3 GLY 10 HA3 GLY 10 14.363 -6.415 -1.713 93 H TRP 11 H TRP 11 12.369 -4.589 -3.326 94 H TRP 11 H TRP 11 11.804 -4.960 -2.333 95 HA TRP 11 HA TRP 11 13.608 -2.511 -4.926 96 HA TRP 11 HA TRP 11 12.988 -3.107 -4.240 97 HB2 TRP 11 HB2 TRP 11 10.854 -3.757 -4.983 98 HB2 TRP 11 HB2 TRP 11 10.275 -4.373 -3.954 99 HB3 TRP 11 HB3 TRP 11 11.367 -2.473 -6.075 100 HB3 TRP 11 HB3 TRP 11 10.527 -3.010 -5.041 101 HD1 TRP 11 HD1 TRP 11 11.759 -6.200 -5.443 102 HD1 TRP 11 HD1 TRP 11 11.703 -6.650 -4.534 103 HE1 TRP 11 HE1 TRP 11 12.978 -7.266 -7.444 104 HE1 TRP 11 HE1 TRP 11 12.485 -7.564 -6.809 105 HE3 TRP 11 HE3 TRP 11 13.118 -1.943 -7.926 106 HE3 TRP 11 HE3 TRP 11 11.304 -2.374 -7.307 107 HZ2 TRP 11 HZ2 TRP 11 14.335 -6.414 -9.768 108 HZ2 TRP 11 HZ2 TRP 11 12.881 -6.600 -9.432 109 HZ3 TRP 11 HZ3 TRP 11 14.375 -2.156 -10.031 110 HZ3 TRP 11 HZ3 TRP 11 11.904 -2.455 -9.692 111 HH2 TRP 11 HH2 TRP 11 14.970 -4.345 -10.931 112 HH2 TRP 11 HH2 TRP 11 12.676 -4.525 -10.730 113 H GLU 12 H GLU 12 12.647 -0.396 -5.188 114 H GLU 12 H GLU 12 12.741 -0.938 -4.221 115 HA GLU 12 HA GLU 12 10.863 0.520 -3.080 116 HA GLU 12 HA GLU 12 10.965 0.231 -2.188 117 HB2 GLU 12 HB2 GLU 12 12.327 2.258 -2.289 118 HB2 GLU 12 HB2 GLU 12 13.230 0.310 -1.306 119 HB3 GLU 12 HB3 GLU 12 13.165 0.719 -2.150 120 HB3 GLU 12 HB3 GLU 12 13.810 1.057 -2.789 121 HG2 GLU 12 HG2 GLU 12 14.643 1.213 -3.842 122 HG2 GLU 12 HG2 GLU 12 12.144 2.934 -2.254 123 HG3 GLU 12 HG3 GLU 12 13.562 2.391 -4.585 124 HG3 GLU 12 HG3 GLU 12 12.102 2.238 -0.635 125 H LYS 13 H LYS 13 9.673 2.301 -3.637 126 H LYS 13 H LYS 13 9.506 1.461 -3.149 127 HA LYS 13 HA LYS 13 9.878 3.129 -6.430 128 HA LYS 13 HA LYS 13 9.832 2.393 -5.840 129 HB2 LYS 13 HB2 LYS 13 7.697 2.349 -5.561 130 HB2 LYS 13 HB2 LYS 13 7.647 1.668 -4.946 131 HB3 LYS 13 HB3 LYS 13 7.702 3.670 -4.400 132 HB3 LYS 13 HB3 LYS 13 7.666 3.023 -3.826 133 HG2 LYS 13 HG2 LYS 13 8.048 5.038 -6.702 134 HG2 LYS 13 HG2 LYS 13 8.028 3.758 -6.641 135 HG3 LYS 13 HG3 LYS 13 7.085 3.674 -7.273 136 HG3 LYS 13 HG3 LYS 13 6.465 3.037 -6.253 137 HD2 LYS 13 HD2 LYS 13 5.274 4.716 -6.509 138 HD2 LYS 13 HD2 LYS 13 6.373 4.694 -4.315 139 HD3 LYS 13 HD3 LYS 13 5.895 4.493 -4.871 140 HD3 LYS 13 HD3 LYS 13 7.719 5.518 -5.106 141 HE2 LYS 13 HE2 LYS 13 6.982 6.759 -6.442 142 HE2 LYS 13 HE2 LYS 13 6.435 6.215 -6.866 143 HE3 LYS 13 HE3 LYS 13 5.317 6.893 -5.882 144 HE3 LYS 13 HE3 LYS 13 5.329 4.849 -6.742 145 HZ1 LYS 13 HZ1 LYS 13 7.474 7.550 -4.426 146 HZ1 LYS 13 HZ1 LYS 13 4.230 5.841 -4.926 147 HZ2 LYS 13 HZ2 LYS 13 5.966 7.148 -3.772 148 HZ2 LYS 13 HZ2 LYS 13 5.427 7.020 -4.728 149 HZ3 LYS 13 HZ3 LYS 13 7.182 5.977 -3.879 150 HZ3 LYS 13 HZ3 LYS 13 4.406 7.069 -6.076 151 H ARG 14 H ARG 14 10.348 5.164 -7.080 152 H ARG 14 H ARG 14 10.799 4.205 -6.450 153 HA ARG 14 HA ARG 14 10.618 7.256 -5.039 154 HA ARG 14 HA ARG 14 10.873 6.466 -4.562 155 HB2 ARG 14 HB2 ARG 14 12.691 6.674 -7.162 156 HB2 ARG 14 HB2 ARG 14 13.054 5.204 -6.148 157 HB3 ARG 14 HB3 ARG 14 12.760 7.959 -5.964 158 HB3 ARG 14 HB3 ARG 14 13.086 6.953 -5.968 159 HG2 ARG 14 HG2 ARG 14 12.489 5.181 -4.971 160 HG2 ARG 14 HG2 ARG 14 12.598 6.002 -3.406 161 HG3 ARG 14 HG3 ARG 14 14.041 5.661 -5.660 162 HG3 ARG 14 HG3 ARG 14 13.792 4.891 -4.079 163 HD2 ARG 14 HD2 ARG 14 12.581 7.044 -3.412 164 HD2 ARG 14 HD2 ARG 14 15.374 6.401 -3.701 165 HD3 ARG 14 HD3 ARG 14 14.010 6.023 -3.253 166 HD3 ARG 14 HD3 ARG 14 14.576 7.492 -4.832 167 HE ARG 14 HE ARG 14 14.848 7.924 -4.957 168 HE ARG 14 HE ARG 14 14.512 7.617 -1.950 169 HH11 ARG 14 HH11 ARG 14 13.209 8.083 -1.890 170 HH11 ARG 14 HH11 ARG 14 12.990 8.592 -4.925 171 HH12 ARG 14 HH12 ARG 14 13.909 9.604 -1.447 172 HH12 ARG 14 HH12 ARG 14 12.213 9.974 -4.228 173 HH21 ARG 14 HH21 ARG 14 15.778 9.927 -4.385 174 HH21 ARG 14 HH21 ARG 14 13.494 9.435 -1.019 175 HH22 ARG 14 HH22 ARG 14 15.369 10.653 -2.868 176 HH22 ARG 14 HH22 ARG 14 12.501 10.453 -2.006 177 H MET 15 H MET 15 10.926 9.449 -6.075 178 H MET 15 H MET 15 11.235 8.586 -5.647 179 HA MET 15 HA MET 15 9.280 9.607 -8.513 180 HA MET 15 HA MET 15 9.864 8.645 -8.254 181 HB2 MET 15 HB2 MET 15 9.425 11.347 -6.073 182 HB2 MET 15 HB2 MET 15 8.874 9.705 -6.010 183 HB3 MET 15 HB3 MET 15 8.868 12.014 -7.603 184 HB3 MET 15 HB3 MET 15 9.881 11.055 -6.513 185 HG2 MET 15 HG2 MET 15 7.029 10.526 -7.685 186 HG2 MET 15 HG2 MET 15 7.910 11.601 -7.518 187 HG3 MET 15 HG3 MET 15 7.662 9.567 -6.350 188 HG3 MET 15 HG3 MET 15 8.695 10.697 -8.812 189 HE1 MET 15 HE1 MET 15 5.087 9.879 -6.186 190 HE1 MET 15 HE1 MET 15 6.233 10.873 -6.043 191 HE2 MET 15 HE2 MET 15 4.560 10.776 -4.762 192 HE2 MET 15 HE2 MET 15 5.132 11.053 -7.409 193 HE3 MET 15 HE3 MET 15 4.395 11.491 -6.366 194 HE3 MET 15 HE3 MET 15 5.026 9.629 -6.372 195 H SER 16 H SER 16 12.341 9.581 -7.842 196 H SER 16 H SER 16 10.734 9.814 -9.898 197 HA SER 16 HA SER 16 14.200 10.368 -8.901 198 HA SER 16 HA SER 16 13.464 10.304 -9.976 199 HB2 SER 16 HB2 SER 16 12.468 12.157 -10.596 200 HB2 SER 16 HB2 SER 16 11.190 10.735 -11.727 201 HB3 SER 16 HB3 SER 16 14.019 11.423 -11.001 202 HB3 SER 16 HB3 SER 16 12.369 12.039 -11.873 203 HG SER 16 HG SER 16 12.563 10.166 -12.013 204 HG SER 16 HG SER 16 13.961 10.273 -12.074 205 H ARG 17 H ARG 17 12.050 13.203 -9.079 206 H ARG 17 H ARG 17 14.276 12.615 -10.738 207 HA ARG 17 HA ARG 17 13.201 14.525 -6.852 208 HA ARG 17 HA ARG 17 14.481 14.218 -8.510 209 HB2 ARG 17 HB2 ARG 17 14.079 16.403 -8.597 210 HB2 ARG 17 HB2 ARG 17 16.012 14.416 -10.383 211 HB3 ARG 17 HB3 ARG 17 15.111 15.185 -7.862 212 HB3 ARG 17 HB3 ARG 17 14.718 15.010 -11.417 213 HG2 ARG 17 HG2 ARG 17 15.256 13.945 -9.787 214 HG2 ARG 17 HG2 ARG 17 14.745 16.730 -9.224 215 HG3 ARG 17 HG3 ARG 17 13.728 14.557 -10.423 216 HG3 ARG 17 HG3 ARG 17 16.441 16.452 -9.623 217 HD2 ARG 17 HD2 ARG 17 15.191 15.700 -11.754 218 HD2 ARG 17 HD2 ARG 17 15.488 16.831 -12.087 219 HD3 ARG 17 HD3 ARG 17 15.038 16.844 -10.421 220 HD3 ARG 17 HD3 ARG 17 14.306 17.781 -11.189 221 HE ARG 17 HE ARG 17 17.193 14.954 -10.125 222 HE ARG 17 HE ARG 17 15.912 19.365 -10.848 223 HH11 ARG 17 HH11 ARG 17 16.225 18.051 -11.385 224 HH11 ARG 17 HH11 ARG 17 17.461 16.365 -11.698 225 HH12 ARG 17 HH12 ARG 17 17.833 18.695 -11.397 226 HH12 ARG 17 HH12 ARG 17 19.047 17.057 -11.785 227 HH21 ARG 17 HH21 ARG 17 19.315 15.791 -10.135 228 HH21 ARG 17 HH21 ARG 17 17.995 20.288 -10.960 229 HH22 ARG 17 HH22 ARG 17 19.590 17.409 -10.686 230 HH22 ARG 17 HH22 ARG 17 19.350 19.289 -11.363 231 H ASN 18 H ASN 18 12.570 16.282 -9.805 232 H ASN 18 H ASN 18 12.929 15.595 -11.373 233 HA ASN 18 HA ASN 18 10.019 17.196 -8.649 234 HA ASN 18 HA ASN 18 10.577 16.311 -9.797 235 HB2 ASN 18 HB2 ASN 18 11.744 18.673 -10.645 236 HB2 ASN 18 HB2 ASN 18 12.347 18.318 -11.205 237 HB3 ASN 18 HB3 ASN 18 10.349 19.302 -9.770 238 HB3 ASN 18 HB3 ASN 18 10.734 18.678 -10.595 239 HD21 ASN 18 HD21 ASN 18 10.535 19.530 -7.459 240 HD21 ASN 18 HD21 ASN 18 13.745 19.287 -9.930 241 HD22 ASN 18 HD22 ASN 18 12.081 19.846 -6.757 242 HD22 ASN 18 HD22 ASN 18 13.747 19.237 -8.203 243 H SER 19 H SER 19 10.957 15.010 -10.729 244 H SER 19 H SER 19 11.111 14.497 -12.032 245 HA SER 19 HA SER 19 9.355 15.763 -13.028 246 HA SER 19 HA SER 19 9.539 15.783 -14.161 247 HB2 SER 19 HB2 SER 19 10.083 13.604 -13.965 248 HB2 SER 19 HB2 SER 19 10.424 14.094 -15.673 249 HB3 SER 19 HB3 SER 19 11.457 14.544 -13.383 250 HB3 SER 19 HB3 SER 19 11.758 14.878 -14.827 251 HG SER 19 HG SER 19 11.800 12.579 -12.537 252 HG SER 19 HG SER 19 11.771 12.489 -14.962 253 H GLY 20 H GLY 20 9.270 13.365 -10.417 254 H GLY 20 H GLY 20 8.777 14.302 -11.539 255 HA2 GLY 20 HA2 GLY 20 7.304 12.602 -9.366 256 HA2 GLY 20 HA2 GLY 20 7.193 12.779 -10.840 257 HA3 GLY 20 HA3 GLY 20 6.370 13.204 -10.728 258 HA3 GLY 20 HA3 GLY 20 6.291 13.403 -12.212 259 H ARG 21 H ARG 21 8.379 11.838 -12.558 260 H ARG 21 H ARG 21 9.305 11.651 -12.542 261 HA ARG 21 HA ARG 21 6.931 9.596 -13.214 262 HA ARG 21 HA ARG 21 7.907 9.622 -14.098 263 HB2 ARG 21 HB2 ARG 21 9.792 10.362 -13.678 264 HB2 ARG 21 HB2 ARG 21 10.379 10.901 -14.357 265 HB3 ARG 21 HB3 ARG 21 9.207 8.790 -14.203 266 HB3 ARG 21 HB3 ARG 21 10.772 9.252 -13.887 267 HG2 ARG 21 HG2 ARG 21 7.537 11.074 -14.994 268 HG2 ARG 21 HG2 ARG 21 10.754 9.289 -16.242 269 HG3 ARG 21 HG3 ARG 21 9.148 11.023 -15.714 270 HG3 ARG 21 HG3 ARG 21 9.263 8.482 -15.749 271 HD2 ARG 21 HD2 ARG 21 7.116 8.794 -15.766 272 HD2 ARG 21 HD2 ARG 21 8.082 10.662 -16.011 273 HD3 ARG 21 HD3 ARG 21 7.493 9.874 -17.107 274 HD3 ARG 21 HD3 ARG 21 9.573 11.337 -16.666 275 HE ARG 21 HE ARG 21 9.813 8.530 -16.146 276 HE ARG 21 HE ARG 21 9.069 10.348 -18.654 277 HH11 ARG 21 HH11 ARG 21 6.974 8.140 -18.122 278 HH11 ARG 21 HH11 ARG 21 7.339 8.691 -16.127 279 HH12 ARG 21 HH12 ARG 21 7.679 6.910 -19.120 280 HH12 ARG 21 HH12 ARG 21 6.473 7.660 -17.218 281 HH21 ARG 21 HH21 ARG 21 10.751 6.912 -17.451 282 HH21 ARG 21 HH21 ARG 21 7.934 8.997 -20.099 283 HH22 ARG 21 HH22 ARG 21 9.827 6.212 -18.736 284 HH22 ARG 21 HH22 ARG 21 6.812 7.834 -19.476 285 H VAL 22 H VAL 22 6.614 7.682 -12.297 286 H VAL 22 H VAL 22 6.961 8.226 -12.677 287 HA VAL 22 HA VAL 22 8.271 6.905 -10.025 288 HA VAL 22 HA VAL 22 8.168 7.286 -10.297 289 HB VAL 22 HB VAL 22 5.617 5.920 -11.051 290 HB VAL 22 HB VAL 22 5.871 6.226 -11.936 291 HG11 VAL 22 HG11 VAL 22 6.659 3.921 -10.370 292 HG11 VAL 22 HG11 VAL 22 6.793 4.314 -10.844 293 HG12 VAL 22 HG12 VAL 22 7.419 4.694 -8.980 294 HG12 VAL 22 HG12 VAL 22 6.977 5.197 -9.328 295 HG13 VAL 22 HG13 VAL 22 5.676 4.423 -8.995 296 HG13 VAL 22 HG13 VAL 22 5.366 4.809 -9.934 297 HG21 VAL 22 HG21 VAL 22 5.804 8.020 -9.660 298 HG21 VAL 22 HG21 VAL 22 5.852 8.431 -10.519 299 HG22 VAL 22 HG22 VAL 22 4.739 6.768 -9.020 300 HG22 VAL 22 HG22 VAL 22 4.481 7.323 -10.468 301 HG23 VAL 22 HG23 VAL 22 6.349 6.992 -8.335 302 HG23 VAL 22 HG23 VAL 22 5.670 7.315 -9.166 303 H TYR 23 H TYR 23 9.424 5.010 -9.901 304 H TYR 23 H TYR 23 9.284 5.431 -9.840 305 HA TYR 23 HA TYR 23 9.389 3.138 -12.120 306 HA TYR 23 HA TYR 23 9.673 3.341 -11.753 307 HB2 TYR 23 HB2 TYR 23 11.836 3.301 -12.474 308 HB2 TYR 23 HB2 TYR 23 11.901 3.678 -12.376 309 HB3 TYR 23 HB3 TYR 23 10.991 4.781 -12.914 310 HB3 TYR 23 HB3 TYR 23 11.207 5.291 -12.487 311 HD1 TYR 23 HD1 TYR 23 10.951 6.666 -11.151 312 HD1 TYR 23 HD1 TYR 23 11.460 6.780 -10.348 313 HD2 TYR 23 HD2 TYR 23 13.650 3.381 -11.014 314 HD2 TYR 23 HD2 TYR 23 13.867 3.373 -11.187 315 HE1 TYR 23 HE1 TYR 23 12.437 7.957 -9.677 316 HE1 TYR 23 HE1 TYR 23 13.192 7.634 -8.824 317 HE2 TYR 23 HE2 TYR 23 15.145 4.663 -9.540 318 HE2 TYR 23 HE2 TYR 23 15.604 4.216 -9.664 319 HH TYR 23 HH TYR 23 14.373 7.999 -8.592 320 HH TYR 23 HH TYR 23 15.455 5.949 -7.482 321 H TYR 24 H TYR 24 11.087 1.355 -11.688 322 H TYR 24 H TYR 24 11.781 2.021 -10.903 323 HA TYR 24 HA TYR 24 10.894 0.662 -8.840 324 HA TYR 24 HA TYR 24 11.517 1.852 -7.973 325 HB2 TYR 24 HB2 TYR 24 11.030 -0.987 -11.349 326 HB2 TYR 24 HB2 TYR 24 11.778 -0.485 -9.876 327 HB3 TYR 24 HB3 TYR 24 11.439 -1.691 -9.788 328 HB3 TYR 24 HB3 TYR 24 11.622 -0.578 -8.125 329 HD1 TYR 24 HD1 TYR 24 9.716 -1.917 -8.039 330 HD1 TYR 24 HD1 TYR 24 9.461 0.541 -7.134 331 HD2 TYR 24 HD2 TYR 24 8.757 -0.490 -11.931 332 HD2 TYR 24 HD2 TYR 24 9.880 -0.698 -11.184 333 HE1 TYR 24 HE1 TYR 24 7.333 -2.336 -7.599 334 HE1 TYR 24 HE1 TYR 24 7.013 0.450 -7.354 335 HE2 TYR 24 HE2 TYR 24 6.370 -0.904 -11.501 336 HE2 TYR 24 HE2 TYR 24 7.433 -0.792 -11.414 337 HH TYR 24 HH TYR 24 4.843 -1.387 -9.912 338 HH TYR 24 HH TYR 24 5.466 -0.148 -10.449 339 H PHE 25 H PHE 25 12.672 0.757 -7.654 340 H PHE 25 H PHE 25 13.346 0.990 -6.847 341 HA PHE 25 HA PHE 25 15.270 0.286 -8.953 342 HA PHE 25 HA PHE 25 15.861 1.092 -8.374 343 HB2 PHE 25 HB2 PHE 25 15.149 2.658 -8.626 344 HB2 PHE 25 HB2 PHE 25 15.250 3.134 -6.847 345 HB3 PHE 25 HB3 PHE 25 14.555 2.460 -6.981 346 HB3 PHE 25 HB3 PHE 25 15.747 2.062 -5.541 347 HD1 PHE 25 HD1 PHE 25 16.034 2.279 -5.175 348 HD1 PHE 25 HD1 PHE 25 17.898 2.324 -4.819 349 HD2 PHE 25 HD2 PHE 25 17.505 1.958 -9.157 350 HD2 PHE 25 HD2 PHE 25 17.007 3.048 -8.917 351 HE1 PHE 25 HE1 PHE 25 18.342 2.384 -4.328 352 HE1 PHE 25 HE1 PHE 25 20.250 2.923 -5.221 353 HE2 PHE 25 HE2 PHE 25 19.815 2.062 -8.315 354 HE2 PHE 25 HE2 PHE 25 19.357 3.648 -9.326 355 HZ PHE 25 HZ PHE 25 20.236 2.275 -5.897 356 HZ PHE 25 HZ PHE 25 20.983 3.586 -7.478 357 H ASN 26 H ASN 26 16.421 -1.268 -8.021 358 H ASN 26 H ASN 26 17.264 -0.523 -8.001 359 HA ASN 26 HA ASN 26 15.617 -2.189 -5.352 360 HA ASN 26 HA ASN 26 16.574 -2.440 -5.877 361 HB2 ASN 26 HB2 ASN 26 15.655 -3.746 -7.405 362 HB2 ASN 26 HB2 ASN 26 16.478 -3.228 -8.275 363 HB3 ASN 26 HB3 ASN 26 17.409 -3.694 -7.247 364 HB3 ASN 26 HB3 ASN 26 18.222 -2.991 -8.350 365 HD21 ASN 26 HD21 ASN 26 15.495 -5.905 -6.932 366 HD21 ASN 26 HD21 ASN 26 16.745 -5.432 -8.696 367 HD22 ASN 26 HD22 ASN 26 15.782 -6.544 -5.353 368 HD22 ASN 26 HD22 ASN 26 17.292 -6.525 -7.473 369 H HIS 27 H HIS 27 16.994 -2.181 -3.661 370 H HIS 27 H HIS 27 17.803 -2.049 -4.145 371 HA HIS 27 HA HIS 27 19.514 -0.774 -4.000 372 HA HIS 27 HA HIS 27 20.545 -1.136 -4.446 373 HB2 HIS 27 HB2 HIS 27 19.571 -0.712 -1.550 374 HB2 HIS 27 HB2 HIS 27 20.520 -0.857 -2.028 375 HB3 HIS 27 HB3 HIS 27 18.024 -0.129 -2.158 376 HB3 HIS 27 HB3 HIS 27 19.082 -0.123 -2.730 377 HD1 HIS 27 HD1 HIS 27 19.510 -3.318 -0.723 378 HD1 HIS 27 HD1 HIS 27 16.851 -0.961 -1.924 379 HD2 HIS 27 HD2 HIS 27 15.872 -1.336 -1.031 380 HD2 HIS 27 HD2 HIS 27 20.013 -3.335 -0.650 381 HE1 HIS 27 HE1 HIS 27 17.891 -4.667 0.649 382 HE1 HIS 27 HE1 HIS 27 15.858 -2.569 -0.266 383 H ILE 28 H ILE 28 18.402 -3.982 -3.754 384 H ILE 28 H ILE 28 19.766 -3.851 -5.283 385 HA ILE 28 HA ILE 28 20.833 -5.066 -2.629 386 HA ILE 28 HA ILE 28 21.550 -5.378 -3.501 387 HB ILE 28 HB ILE 28 18.424 -6.409 -3.855 388 HB ILE 28 HB ILE 28 19.376 -6.619 -5.174 389 HG12 ILE 28 HG12 ILE 28 19.355 -5.906 -1.034 390 HG12 ILE 28 HG12 ILE 28 19.261 -5.758 -2.276 391 HG13 ILE 28 HG13 ILE 28 17.813 -5.478 -1.769 392 HG13 ILE 28 HG13 ILE 28 18.293 -5.114 -3.598 393 HG21 ILE 28 HG21 ILE 28 20.473 -7.740 -4.183 394 HG21 ILE 28 HG21 ILE 28 21.409 -7.913 -4.280 395 HG22 ILE 28 HG22 ILE 28 20.757 -7.695 -2.443 396 HG22 ILE 28 HG22 ILE 28 20.645 -7.737 -2.700 397 HG23 ILE 28 HG23 ILE 28 19.332 -8.513 -3.083 398 HG23 ILE 28 HG23 ILE 28 19.804 -8.585 -3.998 399 HD11 ILE 28 HD11 ILE 28 18.772 -8.172 -0.876 400 HD11 ILE 28 HD11 ILE 28 17.728 -7.294 -1.890 401 HD12 ILE 28 HD12 ILE 28 17.346 -7.274 -0.354 402 HD12 ILE 28 HD12 ILE 28 16.750 -6.639 -3.203 403 HD13 ILE 28 HD13 ILE 28 17.403 -7.978 -1.971 404 HD13 ILE 28 HD13 ILE 28 17.918 -7.919 -3.528 405 H THR 29 H THR 29 19.192 -5.274 -5.786 406 H THR 29 H THR 29 20.390 -4.980 -6.825 407 HA THR 29 HA THR 29 21.612 -6.343 -7.001 408 HA THR 29 HA THR 29 22.993 -5.990 -7.763 409 HB THR 29 HB THR 29 20.129 -6.292 -9.110 410 HB THR 29 HB THR 29 21.987 -7.099 -9.623 411 HG1 THR 29 HG1 THR 29 17.858 -6.277 -8.555 412 HG1 THR 29 HG1 THR 29 20.077 -6.534 -10.335 413 HG21 THR 29 HG21 THR 29 18.777 -8.294 -8.206 414 HG21 THR 29 HG21 THR 29 21.981 -8.450 -7.639 415 HG22 THR 29 HG22 THR 29 20.539 -8.399 -8.183 416 HG22 THR 29 HG22 THR 29 20.492 -7.695 -7.071 417 HG23 THR 29 HG23 THR 29 19.658 -8.022 -6.702 418 HG23 THR 29 HG23 THR 29 20.466 -8.732 -8.496 419 H ASN 30 H ASN 30 20.211 -3.324 -6.446 420 H ASN 30 H ASN 30 21.929 -3.252 -7.277 421 HA ASN 30 HA ASN 30 20.747 -1.214 -7.103 422 HA ASN 30 HA ASN 30 21.512 -1.266 -8.419 423 HB2 ASN 30 HB2 ASN 30 23.120 -2.488 -7.032 424 HB2 ASN 30 HB2 ASN 30 24.183 -2.222 -8.551 425 HB3 ASN 30 HB3 ASN 30 23.071 -2.063 -8.740 426 HB3 ASN 30 HB3 ASN 30 23.835 -1.426 -10.083 427 HD21 ASN 30 HD21 ASN 30 21.723 0.350 -8.598 428 HD21 ASN 30 HD21 ASN 30 22.055 0.516 -9.208 429 HD22 ASN 30 HD22 ASN 30 22.724 1.506 -7.793 430 HD22 ASN 30 HD22 ASN 30 22.906 1.643 -8.214 431 H ALA 31 H ALA 31 19.377 -3.308 -8.930 432 H ALA 31 H ALA 31 19.662 -1.872 -9.666 433 HA ALA 31 HA ALA 31 19.801 -2.127 -11.553 434 HA ALA 31 HA ALA 31 20.108 -1.605 -12.496 435 HB1 ALA 31 HB1 ALA 31 18.218 -3.827 -12.338 436 HB1 ALA 31 HB1 ALA 31 18.978 -3.650 -13.170 437 HB2 ALA 31 HB2 ALA 31 19.539 -4.538 -11.410 438 HB2 ALA 31 HB2 ALA 31 20.412 -4.022 -12.213 439 HB3 ALA 31 HB3 ALA 31 17.949 -4.338 -10.673 440 HB3 ALA 31 HB3 ALA 31 18.811 -4.133 -11.482 441 H SER 32 H SER 32 18.108 -1.184 -12.796 442 H SER 32 H SER 32 18.435 -0.586 -13.452 443 HA SER 32 HA SER 32 15.858 -0.142 -11.210 444 HA SER 32 HA SER 32 16.087 -0.037 -11.787 445 HB2 SER 32 HB2 SER 32 16.155 2.037 -12.005 446 HB2 SER 32 HB2 SER 32 16.185 1.469 -14.257 447 HB3 SER 32 HB3 SER 32 17.811 1.500 -11.724 448 HB3 SER 32 HB3 SER 32 16.189 2.054 -12.593 449 HG SER 32 HG SER 32 18.072 2.068 -13.733 450 HG SER 32 HG SER 32 18.242 1.837 -14.345 451 H GLN 33 H GLN 33 13.914 0.174 -12.306 452 H GLN 33 H GLN 33 14.009 -0.416 -12.470 453 HA GLN 33 HA GLN 33 13.723 -0.397 -15.131 454 HA GLN 33 HA GLN 33 13.587 -1.609 -15.101 455 HB2 GLN 33 HB2 GLN 33 11.860 -2.168 -14.456 456 HB2 GLN 33 HB2 GLN 33 13.508 -3.681 -14.263 457 HB3 GLN 33 HB3 GLN 33 13.541 -2.630 -14.690 458 HB3 GLN 33 HB3 GLN 33 13.594 -3.086 -12.611 459 HG2 GLN 33 HG2 GLN 33 13.886 -3.035 -12.491 460 HG2 GLN 33 HG2 GLN 33 11.231 -2.825 -12.498 461 HG3 GLN 33 HG3 GLN 33 12.753 -1.790 -11.969 462 HG3 GLN 33 HG3 GLN 33 11.059 -3.142 -14.224 463 HE21 GLN 33 HE21 GLN 33 12.586 -4.764 -13.906 464 HE21 GLN 33 HE21 GLN 33 9.493 -4.727 -13.353 465 HE22 GLN 33 HE22 GLN 33 11.225 -5.430 -13.076 466 HE22 GLN 33 HE22 GLN 33 10.080 -6.298 -12.936 467 H PHE 34 H PHE 34 11.102 -0.755 -15.491 468 H PHE 34 H PHE 34 11.735 -0.957 -16.011 469 HA PHE 34 HA PHE 34 9.633 1.171 -13.875 470 HA PHE 34 HA PHE 34 10.002 0.800 -14.483 471 HB2 PHE 34 HB2 PHE 34 9.230 1.666 -16.731 472 HB2 PHE 34 HB2 PHE 34 10.116 0.097 -17.419 473 HB3 PHE 34 HB3 PHE 34 9.461 2.809 -15.412 474 HB3 PHE 34 HB3 PHE 34 8.917 1.185 -16.726 475 HD1 PHE 34 HD1 PHE 34 11.011 1.049 -18.153 476 HD1 PHE 34 HD1 PHE 34 11.527 1.367 -18.719 477 HD2 PHE 34 HD2 PHE 34 11.760 3.389 -14.677 478 HD2 PHE 34 HD2 PHE 34 10.442 2.774 -14.851 479 HE1 PHE 34 HE1 PHE 34 13.292 1.505 -18.955 480 HE1 PHE 34 HE1 PHE 34 13.100 3.244 -18.964 481 HE2 PHE 34 HE2 PHE 34 14.042 3.850 -15.474 482 HE2 PHE 34 HE2 PHE 34 12.011 4.653 -15.091 483 HZ PHE 34 HZ PHE 34 14.810 2.908 -17.616 484 HZ PHE 34 HZ PHE 34 13.342 4.891 -17.149 485 H GLU 35 H GLU 35 9.549 -1.733 -14.478 486 H GLU 35 H GLU 35 9.758 -2.219 -16.323 487 HA GLU 35 HA GLU 35 6.731 -1.838 -15.287 488 HA GLU 35 HA GLU 35 7.064 -2.694 -16.239 489 HB2 GLU 35 HB2 GLU 35 9.011 -3.130 -16.614 490 HB2 GLU 35 HB2 GLU 35 9.475 -4.366 -16.368 491 HB3 GLU 35 HB3 GLU 35 7.685 -4.222 -16.242 492 HB3 GLU 35 HB3 GLU 35 8.060 -5.194 -15.731 493 HG2 GLU 35 HG2 GLU 35 7.536 -1.695 -17.868 494 HG2 GLU 35 HG2 GLU 35 8.316 -3.822 -18.395 495 HG3 GLU 35 HG3 GLU 35 7.425 -3.349 -18.466 496 HG3 GLU 35 HG3 GLU 35 8.174 -5.553 -18.091 497 H ARG 36 H ARG 36 5.508 -2.967 -13.918 498 H ARG 36 H ARG 36 5.822 -4.198 -14.847 499 HA ARG 36 HA ARG 36 6.269 -3.847 -11.465 500 HA ARG 36 HA ARG 36 6.102 -3.411 -12.086 501 HB2 ARG 36 HB2 ARG 36 3.926 -3.627 -12.182 502 HB2 ARG 36 HB2 ARG 36 3.880 -3.428 -12.946 503 HB3 ARG 36 HB3 ARG 36 4.094 -5.073 -13.168 504 HB3 ARG 36 HB3 ARG 36 4.061 -5.064 -13.566 505 HG2 ARG 36 HG2 ARG 36 4.744 -6.232 -10.957 506 HG2 ARG 36 HG2 ARG 36 4.212 -5.898 -11.255 507 HG3 ARG 36 HG3 ARG 36 4.007 -4.822 -10.192 508 HG3 ARG 36 HG3 ARG 36 3.948 -4.254 -10.669 509 HD2 ARG 36 HD2 ARG 36 1.944 -5.264 -11.510 510 HD2 ARG 36 HD2 ARG 36 1.759 -4.187 -11.586 511 HD3 ARG 36 HD3 ARG 36 2.692 -6.746 -12.105 512 HD3 ARG 36 HD3 ARG 36 2.028 -5.667 -12.504 513 HE ARG 36 HE ARG 36 2.861 -7.046 -9.440 514 HE ARG 36 HE ARG 36 1.528 -6.886 -10.628 515 HH11 ARG 36 HH11 ARG 36 0.224 -6.174 -11.537 516 HH11 ARG 36 HH11 ARG 36 2.082 -3.566 -9.735 517 HH12 ARG 36 HH12 ARG 36 -0.991 -6.871 -10.518 518 HH12 ARG 36 HH12 ARG 36 1.542 -3.779 -8.102 519 HH21 ARG 36 HH21 ARG 36 1.271 -7.969 -8.087 520 HH21 ARG 36 HH21 ARG 36 0.813 -7.178 -8.481 521 HH22 ARG 36 HH22 ARG 36 -0.394 -7.891 -8.554 522 HH22 ARG 36 HH22 ARG 36 0.821 -5.834 -7.390 523 HA PRO 37 HA PRO 37 8.878 -7.310 -12.712 524 HA PRO 37 HA PRO 37 8.562 -7.057 -11.214 525 HB2 PRO 37 HB2 PRO 37 10.062 -7.574 -10.282 526 HB2 PRO 37 HB2 PRO 37 9.079 -6.384 -8.635 527 HB3 PRO 37 HB3 PRO 37 10.555 -6.355 -11.464 528 HB3 PRO 37 HB3 PRO 37 9.939 -5.671 -10.005 529 HG2 PRO 37 HG2 PRO 37 8.784 -6.064 -9.067 530 HG2 PRO 37 HG2 PRO 37 7.653 -4.565 -8.420 531 HG3 PRO 37 HG3 PRO 37 10.068 -4.987 -9.649 532 HG3 PRO 37 HG3 PRO 37 9.116 -3.744 -8.995 533 HD2 PRO 37 HD2 PRO 37 7.443 -4.498 -10.098 534 HD2 PRO 37 HD2 PRO 37 6.728 -3.519 -10.252 535 HD3 PRO 37 HD3 PRO 37 8.712 -4.025 -11.245 536 HD3 PRO 37 HD3 PRO 37 8.275 -3.467 -11.123 537 H SER 38 H SER 38 6.701 -8.434 -12.790 538 H SER 38 H SER 38 6.916 -8.610 -11.305 539 HA SER 38 HA SER 38 6.092 -9.962 -10.373 540 HA SER 38 HA SER 38 5.860 -9.383 -8.702 541 HB2 SER 38 HB2 SER 38 4.253 -8.840 -11.658 542 HB2 SER 38 HB2 SER 38 4.036 -8.059 -9.581 543 HB3 SER 38 HB3 SER 38 4.592 -9.932 -13.001 544 HB3 SER 38 HB3 SER 38 4.107 -8.910 -11.124 545 HG SER 38 HG SER 38 4.011 -11.662 -11.707 546 HG SER 38 HG SER 38 2.440 -9.671 -9.696 547 H GLY 39 H GLY 39 8.510 -10.658 -11.447 548 H GLY 39 H GLY 39 7.868 -10.709 -9.704 549 HA2 GLY 39 HA2 GLY 39 7.919 -13.321 -12.578 550 HA2 GLY 39 HA2 GLY 39 6.648 -13.204 -10.663 551 HA3 GLY 39 HA3 GLY 39 9.250 -12.346 -13.181 552 HA3 GLY 39 HA3 GLY 39 8.017 -12.541 -11.544 Start of MODEL 18 1 H1 SER 5 H SER 5 1.210 0.722 -1.827 2 H1 SER 5 H SER 5 2.976 0.252 -2.149 3 HA SER 5 HA SER 5 2.647 -0.754 -0.110 4 HA SER 5 HA SER 5 4.284 -1.134 -0.075 5 HB2 SER 5 HB2 SER 5 -0.202 -1.201 -1.001 6 HB2 SER 5 HB2 SER 5 1.368 -0.633 -0.666 7 HB3 SER 5 HB3 SER 5 0.519 -2.091 0.340 8 HB3 SER 5 HB3 SER 5 1.901 -1.506 0.770 9 HG SER 5 HG SER 5 1.020 0.049 1.230 10 HG SER 5 HG SER 5 3.304 0.461 1.066 11 H LYS 6 H LYS 6 0.571 -2.540 -2.375 12 H LYS 6 H LYS 6 2.324 -2.211 -2.780 13 HA LYS 6 HA LYS 6 1.881 -4.971 -2.148 14 HA LYS 6 HA LYS 6 2.303 -4.959 -1.859 15 HB2 LYS 6 HB2 LYS 6 0.828 -5.509 -4.368 16 HB2 LYS 6 HB2 LYS 6 1.098 -5.396 -3.988 17 HB3 LYS 6 HB3 LYS 6 -0.285 -4.904 -3.148 18 HB3 LYS 6 HB3 LYS 6 0.330 -4.163 -2.997 19 HG2 LYS 6 HG2 LYS 6 0.693 -2.678 -4.599 20 HG2 LYS 6 HG2 LYS 6 2.031 -2.724 -4.630 21 HG3 LYS 6 HG3 LYS 6 0.202 -3.912 -5.761 22 HG3 LYS 6 HG3 LYS 6 1.395 -3.988 -5.685 23 HD2 LYS 6 HD2 LYS 6 -1.855 -3.054 -5.473 24 HD2 LYS 6 HD2 LYS 6 -0.153 -2.255 -5.900 25 HD3 LYS 6 HD3 LYS 6 -1.855 -3.996 -3.980 26 HD3 LYS 6 HD3 LYS 6 -0.904 -3.341 -4.728 27 HE2 LYS 6 HE2 LYS 6 -1.569 -2.162 -2.664 28 HE2 LYS 6 HE2 LYS 6 0.843 -1.169 -3.698 29 HE3 LYS 6 HE3 LYS 6 -0.628 -1.301 -3.881 30 HE3 LYS 6 HE3 LYS 6 -0.743 -0.723 -4.326 31 HZ1 LYS 6 HZ1 LYS 6 -3.310 -0.957 -3.264 32 HZ1 LYS 6 HZ1 LYS 6 -1.142 -1.124 -2.099 33 HZ2 LYS 6 HZ2 LYS 6 -2.437 -0.219 -4.511 34 HZ2 LYS 6 HZ2 LYS 6 -1.579 -2.596 -2.808 35 HZ3 LYS 6 HZ3 LYS 6 -3.270 -1.664 -4.801 36 HZ3 LYS 6 HZ3 LYS 6 -0.087 -2.445 -2.025 37 H LEU 7 H LEU 7 4.055 -5.059 -2.347 38 H LEU 7 H LEU 7 4.853 -4.439 -1.943 39 HA LEU 7 HA LEU 7 5.173 -4.834 -4.988 40 HA LEU 7 HA LEU 7 5.796 -5.738 -4.407 41 HB2 LEU 7 HB2 LEU 7 5.431 -2.663 -3.131 42 HB2 LEU 7 HB2 LEU 7 7.321 -3.611 -2.920 43 HB3 LEU 7 HB3 LEU 7 7.013 -3.377 -3.438 44 HB3 LEU 7 HB3 LEU 7 7.763 -4.374 -4.445 45 HG LEU 7 HG LEU 7 6.262 -3.124 -5.955 46 HG LEU 7 HG LEU 7 5.557 -2.385 -3.950 47 HD11 LEU 7 HD11 LEU 7 4.244 -2.169 -6.112 48 HD11 LEU 7 HD11 LEU 7 7.927 -2.305 -5.807 49 HD12 LEU 7 HD12 LEU 7 4.291 -1.567 -4.455 50 HD12 LEU 7 HD12 LEU 7 6.768 -1.011 -5.504 51 HD13 LEU 7 HD13 LEU 7 5.095 -0.669 -5.742 52 HD13 LEU 7 HD13 LEU 7 7.866 -1.530 -4.224 53 HD21 LEU 7 HD21 LEU 7 8.207 -2.042 -5.402 54 HD21 LEU 7 HD21 LEU 7 5.735 -4.471 -5.944 55 HD22 LEU 7 HD22 LEU 7 7.154 -0.667 -5.734 56 HD22 LEU 7 HD22 LEU 7 4.416 -3.352 -5.597 57 HD23 LEU 7 HD23 LEU 7 7.467 -1.156 -4.068 58 HD23 LEU 7 HD23 LEU 7 5.722 -2.868 -6.680 59 HA PRO 8 HA PRO 8 7.740 -8.055 -3.466 60 HA PRO 8 HA PRO 8 7.803 -8.631 -1.783 61 HB2 PRO 8 HB2 PRO 8 9.916 -7.773 -5.066 62 HB2 PRO 8 HB2 PRO 8 9.939 -9.312 -3.315 63 HB3 PRO 8 HB3 PRO 8 8.373 -8.411 -5.647 64 HB3 PRO 8 HB3 PRO 8 8.287 -9.829 -3.683 65 HG2 PRO 8 HG2 PRO 8 9.500 -5.649 -5.906 66 HG2 PRO 8 HG2 PRO 8 9.875 -7.575 -4.854 67 HG3 PRO 8 HG3 PRO 8 8.657 -6.632 -7.117 68 HG3 PRO 8 HG3 PRO 8 8.831 -8.752 -5.672 69 HD2 PRO 8 HD2 PRO 8 7.430 -4.655 -5.733 70 HD2 PRO 8 HD2 PRO 8 8.018 -6.233 -5.100 71 HD3 PRO 8 HD3 PRO 8 6.577 -6.116 -6.269 72 HD3 PRO 8 HD3 PRO 8 6.903 -7.615 -5.118 73 HA PRO 9 HA PRO 9 10.513 -6.409 -0.462 74 HA PRO 9 HA PRO 9 11.118 -6.876 0.513 75 HB2 PRO 9 HB2 PRO 9 12.039 -8.604 0.010 76 HB2 PRO 9 HB2 PRO 9 12.719 -9.002 1.051 77 HB3 PRO 9 HB3 PRO 9 10.372 -8.451 0.581 78 HB3 PRO 9 HB3 PRO 9 11.138 -8.774 1.808 79 HG2 PRO 9 HG2 PRO 9 11.428 -9.896 -1.820 80 HG2 PRO 9 HG2 PRO 9 11.895 -10.508 -0.512 81 HG3 PRO 9 HG3 PRO 9 10.201 -10.417 -0.650 82 HG3 PRO 9 HG3 PRO 9 10.835 -10.876 0.861 83 HD2 PRO 9 HD2 PRO 9 9.561 -9.414 -3.082 84 HD2 PRO 9 HD2 PRO 9 9.876 -10.178 -1.573 85 HD3 PRO 9 HD3 PRO 9 8.538 -9.176 -1.652 86 HD3 PRO 9 HD3 PRO 9 9.040 -9.761 -0.063 87 H GLY 10 H GLY 10 12.425 -5.344 -0.423 88 H GLY 10 H GLY 10 12.409 -5.487 -0.564 89 HA2 GLY 10 HA2 GLY 10 14.739 -5.085 -0.913 90 HA2 GLY 10 HA2 GLY 10 14.867 -5.414 -1.151 91 HA3 GLY 10 HA3 GLY 10 14.535 -6.149 -2.297 92 HA3 GLY 10 HA3 GLY 10 14.462 -6.628 -2.356 93 H TRP 11 H TRP 11 12.141 -4.767 -3.244 94 H TRP 11 H TRP 11 11.852 -5.256 -2.871 95 HA TRP 11 HA TRP 11 13.491 -2.665 -4.701 96 HA TRP 11 HA TRP 11 12.913 -3.310 -4.770 97 HB2 TRP 11 HB2 TRP 11 10.698 -3.803 -4.896 98 HB2 TRP 11 HB2 TRP 11 10.269 -4.733 -4.516 99 HB3 TRP 11 HB3 TRP 11 11.303 -2.515 -5.933 100 HB3 TRP 11 HB3 TRP 11 10.490 -3.378 -5.619 101 HD1 TRP 11 HD1 TRP 11 11.514 -6.269 -5.390 102 HD1 TRP 11 HD1 TRP 11 11.663 -6.996 -5.062 103 HE1 TRP 11 HE1 TRP 11 12.771 -7.334 -7.368 104 HE1 TRP 11 HE1 TRP 11 12.589 -7.902 -7.286 105 HE3 TRP 11 HE3 TRP 11 13.160 -2.011 -7.692 106 HE3 TRP 11 HE3 TRP 11 11.488 -2.697 -7.823 107 HZ2 TRP 11 HZ2 TRP 11 14.264 -6.480 -9.607 108 HZ2 TRP 11 HZ2 TRP 11 13.171 -6.922 -9.869 109 HZ3 TRP 11 HZ3 TRP 11 14.498 -2.223 -9.746 110 HZ3 TRP 11 HZ3 TRP 11 12.249 -2.766 -10.162 111 HH2 TRP 11 HH2 TRP 11 15.037 -4.413 -10.682 112 HH2 TRP 11 HH2 TRP 11 13.072 -4.835 -11.163 113 H GLU 12 H GLU 12 12.469 -0.532 -5.005 114 H GLU 12 H GLU 12 12.977 -1.242 -4.215 115 HA GLU 12 HA GLU 12 10.729 0.376 -2.862 116 HA GLU 12 HA GLU 12 10.920 -0.215 -2.372 117 HB2 GLU 12 HB2 GLU 12 12.211 2.126 -2.103 118 HB2 GLU 12 HB2 GLU 12 13.136 -0.125 -1.380 119 HB3 GLU 12 HB3 GLU 12 13.026 0.577 -1.949 120 HB3 GLU 12 HB3 GLU 12 13.764 0.718 -2.789 121 HG2 GLU 12 HG2 GLU 12 14.495 1.023 -3.668 122 HG2 GLU 12 HG2 GLU 12 12.046 2.529 -2.241 123 HG3 GLU 12 HG3 GLU 12 13.436 2.229 -4.397 124 HG3 GLU 12 HG3 GLU 12 11.906 1.735 -0.674 125 H LYS 13 H LYS 13 9.513 2.135 -3.407 126 H LYS 13 H LYS 13 9.484 1.078 -3.286 127 HA LYS 13 HA LYS 13 9.708 3.005 -6.190 128 HA LYS 13 HA LYS 13 9.854 2.135 -5.920 129 HB2 LYS 13 HB2 LYS 13 7.529 2.242 -5.551 130 HB2 LYS 13 HB2 LYS 13 7.653 1.392 -5.112 131 HB3 LYS 13 HB3 LYS 13 7.528 3.262 -4.117 132 HB3 LYS 13 HB3 LYS 13 7.669 2.664 -3.896 133 HG2 LYS 13 HG2 LYS 13 7.918 4.886 -6.438 134 HG2 LYS 13 HG2 LYS 13 8.090 3.658 -6.603 135 HG3 LYS 13 HG3 LYS 13 6.505 3.852 -6.665 136 HG3 LYS 13 HG3 LYS 13 6.542 2.836 -6.386 137 HD2 LYS 13 HD2 LYS 13 6.629 5.017 -4.001 138 HD2 LYS 13 HD2 LYS 13 6.355 4.285 -4.244 139 HD3 LYS 13 HD3 LYS 13 6.578 6.238 -5.275 140 HD3 LYS 13 HD3 LYS 13 7.601 5.276 -5.006 141 HE2 LYS 13 HE2 LYS 13 4.329 5.742 -4.653 142 HE2 LYS 13 HE2 LYS 13 6.096 5.357 -7.042 143 HE3 LYS 13 HE3 LYS 13 4.614 5.029 -6.239 144 HE3 LYS 13 HE3 LYS 13 4.839 4.655 -6.026 145 HZ1 LYS 13 HZ1 LYS 13 5.276 3.011 -4.601 146 HZ1 LYS 13 HZ1 LYS 13 5.018 7.212 -6.277 147 HZ2 LYS 13 HZ2 LYS 13 4.032 3.744 -3.719 148 HZ2 LYS 13 HZ2 LYS 13 4.680 6.545 -4.758 149 HZ3 LYS 13 HZ3 LYS 13 3.748 3.209 -5.298 150 HZ3 LYS 13 HZ3 LYS 13 6.246 7.073 -5.122 151 H ARG 14 H ARG 14 10.427 4.954 -6.759 152 H ARG 14 H ARG 14 10.717 4.019 -6.483 153 HA ARG 14 HA ARG 14 10.407 7.122 -4.787 154 HA ARG 14 HA ARG 14 10.834 6.173 -4.480 155 HB2 ARG 14 HB2 ARG 14 12.809 6.322 -6.442 156 HB2 ARG 14 HB2 ARG 14 13.021 4.987 -6.121 157 HB3 ARG 14 HB3 ARG 14 12.705 7.761 -5.436 158 HB3 ARG 14 HB3 ARG 14 13.055 6.722 -5.838 159 HG2 ARG 14 HG2 ARG 14 12.151 5.178 -4.114 160 HG2 ARG 14 HG2 ARG 14 12.545 5.588 -3.342 161 HG3 ARG 14 HG3 ARG 14 13.815 5.481 -4.614 162 HG3 ARG 14 HG3 ARG 14 13.775 4.562 -4.082 163 HD2 ARG 14 HD2 ARG 14 12.134 7.288 -2.882 164 HD2 ARG 14 HD2 ARG 14 15.240 6.088 -3.359 165 HD3 ARG 14 HD3 ARG 14 13.413 6.216 -2.314 166 HD3 ARG 14 HD3 ARG 14 14.657 7.083 -4.692 167 HE ARG 14 HE ARG 14 14.349 8.026 -4.307 168 HE ARG 14 HE ARG 14 13.574 8.434 -3.181 169 HH11 ARG 14 HH11 ARG 14 13.548 7.752 -0.930 170 HH11 ARG 14 HH11 ARG 14 14.644 5.523 -1.598 171 HH12 ARG 14 HH12 ARG 14 14.616 9.025 -0.439 172 HH12 ARG 14 HH12 ARG 14 14.283 6.103 -0.005 173 HH21 ARG 14 HH21 ARG 14 15.759 9.703 -3.673 174 HH21 ARG 14 HH21 ARG 14 13.095 9.207 -1.090 175 HH22 ARG 14 HH22 ARG 14 15.872 10.135 -2.000 176 HH22 ARG 14 HH22 ARG 14 13.401 8.197 0.283 177 H MET 15 H MET 15 10.976 9.257 -5.856 178 H MET 15 H MET 15 11.248 8.338 -5.490 179 HA MET 15 HA MET 15 9.712 9.341 -8.513 180 HA MET 15 HA MET 15 9.848 8.517 -8.076 181 HB2 MET 15 HB2 MET 15 9.790 11.377 -6.287 182 HB2 MET 15 HB2 MET 15 8.927 9.529 -5.775 183 HB3 MET 15 HB3 MET 15 9.233 11.755 -7.912 184 HB3 MET 15 HB3 MET 15 9.948 10.873 -6.267 185 HG2 MET 15 HG2 MET 15 8.019 9.455 -6.462 186 HG2 MET 15 HG2 MET 15 8.537 11.512 -7.870 187 HG3 MET 15 HG3 MET 15 7.548 11.097 -6.026 188 HG3 MET 15 HG3 MET 15 8.255 9.858 -8.409 189 HE1 MET 15 HE1 MET 15 6.030 12.316 -6.863 190 HE1 MET 15 HE1 MET 15 6.638 12.896 -7.004 191 HE2 MET 15 HE2 MET 15 5.248 12.300 -8.443 192 HE2 MET 15 HE2 MET 15 6.030 12.083 -8.445 193 HE3 MET 15 HE3 MET 15 4.748 11.153 -7.200 194 HE3 MET 15 HE3 MET 15 5.012 12.214 -7.011 195 H SER 16 H SER 16 10.709 10.357 -10.187 196 H SER 16 H SER 16 10.851 9.498 -9.723 197 HA SER 16 HA SER 16 13.483 10.607 -10.210 198 HA SER 16 HA SER 16 13.587 10.145 -9.579 199 HB2 SER 16 HB2 SER 16 11.432 11.854 -12.054 200 HB2 SER 16 HB2 SER 16 12.240 9.421 -11.632 201 HB3 SER 16 HB3 SER 16 13.164 11.787 -12.384 202 HB3 SER 16 HB3 SER 16 11.723 11.103 -11.750 203 HG SER 16 HG SER 16 13.020 9.522 -12.360 204 HG SER 16 HG SER 16 13.601 10.627 -13.012 205 H ARG 17 H ARG 17 14.303 12.907 -11.284 206 H ARG 17 H ARG 17 13.657 12.516 -11.196 207 HA ARG 17 HA ARG 17 14.800 14.591 -9.184 208 HA ARG 17 HA ARG 17 13.861 14.474 -9.197 209 HB2 ARG 17 HB2 ARG 17 16.068 14.744 -11.230 210 HB2 ARG 17 HB2 ARG 17 14.284 16.044 -11.006 211 HB3 ARG 17 HB3 ARG 17 14.643 15.248 -12.127 212 HB3 ARG 17 HB3 ARG 17 15.136 14.534 -11.304 213 HG2 ARG 17 HG2 ARG 17 14.974 17.070 -9.996 214 HG2 ARG 17 HG2 ARG 17 14.143 14.313 -13.268 215 HG3 ARG 17 HG3 ARG 17 16.551 16.847 -10.754 216 HG3 ARG 17 HG3 ARG 17 12.549 14.425 -12.519 217 HD2 ARG 17 HD2 ARG 17 13.980 17.637 -12.118 218 HD2 ARG 17 HD2 ARG 17 12.927 16.154 -14.241 219 HD3 ARG 17 HD3 ARG 17 15.383 18.666 -11.831 220 HD3 ARG 17 HD3 ARG 17 12.611 16.832 -12.644 221 HE ARG 17 HE ARG 17 15.065 16.701 -13.913 222 HE ARG 17 HE ARG 17 15.300 16.748 -12.724 223 HH11 ARG 17 HH11 ARG 17 17.321 18.564 -12.027 224 HH11 ARG 17 HH11 ARG 17 12.914 17.982 -14.937 225 HH12 ARG 17 HH12 ARG 17 18.589 18.463 -13.203 226 HH12 ARG 17 HH12 ARG 17 13.944 19.232 -15.555 227 HH21 ARG 17 HH21 ARG 17 16.726 16.561 -15.470 228 HH21 ARG 17 HH21 ARG 17 16.665 18.389 -13.528 229 HH22 ARG 17 HH22 ARG 17 18.249 17.324 -15.161 230 HH22 ARG 17 HH22 ARG 17 16.077 19.461 -14.754 231 H ASN 18 H ASN 18 12.883 15.919 -11.837 232 H ASN 18 H ASN 18 12.681 16.704 -10.689 233 HA ASN 18 HA ASN 18 10.860 16.808 -9.901 234 HA ASN 18 HA ASN 18 10.061 16.607 -9.492 235 HB2 ASN 18 HB2 ASN 18 12.729 18.537 -10.750 236 HB2 ASN 18 HB2 ASN 18 11.837 18.620 -9.872 237 HB3 ASN 18 HB3 ASN 18 11.585 18.696 -12.079 238 HB3 ASN 18 HB3 ASN 18 10.757 18.892 -11.235 239 HD21 ASN 18 HD21 ASN 18 12.180 19.265 -8.727 240 HD21 ASN 18 HD21 ASN 18 11.262 19.377 -7.956 241 HD22 ASN 18 HD22 ASN 18 10.789 20.247 -8.429 242 HD22 ASN 18 HD22 ASN 18 9.695 19.976 -7.542 243 H SER 19 H SER 19 10.882 14.658 -11.880 244 H SER 19 H SER 19 10.818 14.964 -11.933 245 HA SER 19 HA SER 19 8.799 15.635 -13.719 246 HA SER 19 HA SER 19 9.036 16.017 -13.973 247 HB2 SER 19 HB2 SER 19 9.398 13.844 -15.230 248 HB2 SER 19 HB2 SER 19 9.779 14.130 -15.327 249 HB3 SER 19 HB3 SER 19 10.865 14.721 -14.793 250 HB3 SER 19 HB3 SER 19 11.177 14.930 -14.606 251 HG SER 19 HG SER 19 11.226 12.500 -14.647 252 HG SER 19 HG SER 19 10.777 12.442 -14.496 253 H GLY 20 H GLY 20 8.981 14.264 -10.847 254 H GLY 20 H GLY 20 9.080 13.550 -11.500 255 HA2 GLY 20 HA2 GLY 20 7.746 12.732 -9.643 256 HA2 GLY 20 HA2 GLY 20 7.114 12.678 -10.515 257 HA3 GLY 20 HA3 GLY 20 6.430 13.326 -10.645 258 HA3 GLY 20 HA3 GLY 20 6.227 13.096 -11.974 259 H ARG 21 H ARG 21 9.184 11.602 -11.944 260 H ARG 21 H ARG 21 8.639 11.819 -13.449 261 HA ARG 21 HA ARG 21 7.408 9.593 -13.033 262 HA ARG 21 HA ARG 21 7.463 9.438 -14.168 263 HB2 ARG 21 HB2 ARG 21 9.790 10.764 -13.875 264 HB2 ARG 21 HB2 ARG 21 10.269 10.459 -14.288 265 HB3 ARG 21 HB3 ARG 21 10.243 9.117 -13.457 266 HB3 ARG 21 HB3 ARG 21 9.963 8.777 -14.698 267 HG2 ARG 21 HG2 ARG 21 9.654 8.751 -15.603 268 HG2 ARG 21 HG2 ARG 21 8.526 11.083 -15.985 269 HG3 ARG 21 HG3 ARG 21 8.051 8.593 -14.882 270 HG3 ARG 21 HG3 ARG 21 10.002 10.363 -16.632 271 HD2 ARG 21 HD2 ARG 21 7.728 11.047 -15.325 272 HD2 ARG 21 HD2 ARG 21 7.495 8.796 -16.060 273 HD3 ARG 21 HD3 ARG 21 9.227 11.003 -16.253 274 HD3 ARG 21 HD3 ARG 21 7.859 9.510 -17.630 275 HE ARG 21 HE ARG 21 6.668 10.105 -17.107 276 HE ARG 21 HE ARG 21 9.940 7.808 -16.600 277 HH11 ARG 21 HH11 ARG 21 10.076 9.446 -17.373 278 HH11 ARG 21 HH11 ARG 21 6.994 7.955 -18.448 279 HH12 ARG 21 HH12 ARG 21 9.944 8.699 -18.930 280 HH12 ARG 21 HH12 ARG 21 7.319 6.497 -19.326 281 HH21 ARG 21 HH21 ARG 21 6.481 9.122 -19.157 282 HH21 ARG 21 HH21 ARG 21 10.379 5.888 -17.749 283 HH22 ARG 21 HH22 ARG 21 7.898 8.516 -19.944 284 HH22 ARG 21 HH22 ARG 21 9.244 5.322 -18.927 285 H VAL 22 H VAL 22 7.040 7.657 -12.178 286 H VAL 22 H VAL 22 6.800 7.972 -12.710 287 HA VAL 22 HA VAL 22 8.541 6.841 -9.821 288 HA VAL 22 HA VAL 22 8.211 7.345 -10.323 289 HB VAL 22 HB VAL 22 6.214 5.367 -11.037 290 HB VAL 22 HB VAL 22 5.843 6.167 -11.722 291 HG11 VAL 22 HG11 VAL 22 7.486 4.184 -9.326 292 HG11 VAL 22 HG11 VAL 22 7.388 4.904 -9.472 293 HG12 VAL 22 HG12 VAL 22 7.276 5.540 -8.218 294 HG12 VAL 22 HG12 VAL 22 5.691 4.542 -9.789 295 HG13 VAL 22 HG13 VAL 22 5.877 4.600 -8.738 296 HG13 VAL 22 HG13 VAL 22 6.913 4.184 -11.009 297 HG21 VAL 22 HG21 VAL 22 5.177 6.828 -8.950 298 HG21 VAL 22 HG21 VAL 22 5.800 8.195 -10.171 299 HG22 VAL 22 HG22 VAL 22 6.247 7.980 -9.750 300 HG22 VAL 22 HG22 VAL 22 4.647 6.903 -9.841 301 HG23 VAL 22 HG23 VAL 22 4.966 7.184 -10.664 302 HG23 VAL 22 HG23 VAL 22 6.107 7.052 -8.864 303 H TYR 23 H TYR 23 9.521 4.797 -9.594 304 H TYR 23 H TYR 23 9.517 5.633 -9.819 305 HA TYR 23 HA TYR 23 9.787 3.057 -11.881 306 HA TYR 23 HA TYR 23 10.045 3.557 -11.770 307 HB2 TYR 23 HB2 TYR 23 12.309 3.217 -11.846 308 HB2 TYR 23 HB2 TYR 23 12.300 4.024 -12.174 309 HB3 TYR 23 HB3 TYR 23 11.477 4.614 -12.519 310 HB3 TYR 23 HB3 TYR 23 11.541 5.609 -12.265 311 HD1 TYR 23 HD1 TYR 23 11.456 6.742 -11.332 312 HD1 TYR 23 HD1 TYR 23 11.804 7.213 -10.393 313 HD2 TYR 23 HD2 TYR 23 13.507 3.370 -9.744 314 HD2 TYR 23 HD2 TYR 23 13.903 3.513 -10.481 315 HE1 TYR 23 HE1 TYR 23 12.646 8.214 -9.761 316 HE1 TYR 23 HE1 TYR 23 13.355 8.060 -8.681 317 HE2 TYR 23 HE2 TYR 23 14.702 4.832 -8.167 318 HE2 TYR 23 HE2 TYR 23 15.458 4.348 -8.768 319 HH TYR 23 HH TYR 23 14.978 6.900 -7.422 320 HH TYR 23 HH TYR 23 15.100 6.402 -6.800 321 H TYR 24 H TYR 24 11.616 1.349 -11.284 322 H TYR 24 H TYR 24 11.528 1.893 -10.912 323 HA TYR 24 HA TYR 24 11.146 0.582 -8.477 324 HA TYR 24 HA TYR 24 11.262 1.708 -7.988 325 HB2 TYR 24 HB2 TYR 24 11.343 -1.108 -10.967 326 HB2 TYR 24 HB2 TYR 24 11.216 -0.337 -10.178 327 HB3 TYR 24 HB3 TYR 24 11.503 -1.791 -9.353 328 HB3 TYR 24 HB3 TYR 24 11.695 -0.814 -8.553 329 HD1 TYR 24 HD1 TYR 24 9.189 -0.031 -11.639 330 HD1 TYR 24 HD1 TYR 24 9.354 1.868 -8.533 331 HD2 TYR 24 HD2 TYR 24 9.595 -2.197 -7.999 332 HD2 TYR 24 HD2 TYR 24 9.661 -2.363 -8.859 333 HE1 TYR 24 HE1 TYR 24 6.742 -0.213 -11.481 334 HE1 TYR 24 HE1 TYR 24 6.987 1.653 -7.900 335 HE2 TYR 24 HE2 TYR 24 7.148 -2.387 -7.833 336 HE2 TYR 24 HE2 TYR 24 7.294 -2.589 -8.229 337 HH TYR 24 HH TYR 24 5.112 -0.852 -8.846 338 HH TYR 24 HH TYR 24 5.131 -0.627 -8.465 339 H PHE 25 H PHE 25 12.908 0.717 -7.274 340 H PHE 25 H PHE 25 12.987 0.889 -6.747 341 HA PHE 25 HA PHE 25 15.512 0.118 -8.515 342 HA PHE 25 HA PHE 25 15.605 0.885 -8.091 343 HB2 PHE 25 HB2 PHE 25 15.492 2.458 -8.034 344 HB2 PHE 25 HB2 PHE 25 14.959 2.973 -6.654 345 HB3 PHE 25 HB3 PHE 25 14.806 2.189 -6.434 346 HB3 PHE 25 HB3 PHE 25 15.309 1.915 -5.292 347 HD1 PHE 25 HD1 PHE 25 17.837 1.589 -8.486 348 HD1 PHE 25 HD1 PHE 25 16.840 2.935 -8.539 349 HD2 PHE 25 HD2 PHE 25 16.187 1.932 -4.578 350 HD2 PHE 25 HD2 PHE 25 17.435 1.960 -4.439 351 HE1 PHE 25 HE1 PHE 25 20.103 1.538 -7.530 352 HE1 PHE 25 HE1 PHE 25 19.236 3.443 -8.770 353 HE2 PHE 25 HE2 PHE 25 18.450 1.883 -3.615 354 HE2 PHE 25 HE2 PHE 25 19.832 2.467 -4.663 355 HZ PHE 25 HZ PHE 25 20.412 1.687 -5.090 356 HZ PHE 25 HZ PHE 25 20.736 3.211 -6.830 357 H ASN 26 H ASN 26 16.456 -1.631 -7.723 358 H ASN 26 H ASN 26 17.081 -0.617 -7.405 359 HA ASN 26 HA ASN 26 15.585 -2.670 -5.128 360 HA ASN 26 HA ASN 26 16.219 -2.438 -5.257 361 HB2 ASN 26 HB2 ASN 26 15.597 -4.098 -7.245 362 HB2 ASN 26 HB2 ASN 26 16.114 -3.198 -7.810 363 HB3 ASN 26 HB3 ASN 26 17.354 -4.080 -7.125 364 HB3 ASN 26 HB3 ASN 26 17.822 -3.521 -7.524 365 HD21 ASN 26 HD21 ASN 26 15.499 -6.313 -6.952 366 HD21 ASN 26 HD21 ASN 26 14.795 -3.941 -5.713 367 HD22 ASN 26 HD22 ASN 26 15.780 -7.054 -5.416 368 HD22 ASN 26 HD22 ASN 26 15.084 -5.590 -5.286 369 H HIS 27 H HIS 27 16.826 -2.526 -3.381 370 H HIS 27 H HIS 27 17.636 -2.552 -3.656 371 HA HIS 27 HA HIS 27 19.448 -1.336 -3.572 372 HA HIS 27 HA HIS 27 20.367 -1.608 -4.096 373 HB2 HIS 27 HB2 HIS 27 19.347 -1.060 -1.242 374 HB2 HIS 27 HB2 HIS 27 20.502 -1.662 -1.594 375 HB3 HIS 27 HB3 HIS 27 17.673 -0.882 -1.761 376 HB3 HIS 27 HB3 HIS 27 19.253 -0.592 -2.223 377 HD1 HIS 27 HD1 HIS 27 16.019 -2.758 -1.095 378 HD1 HIS 27 HD1 HIS 27 19.636 -3.993 -0.615 379 HD2 HIS 27 HD2 HIS 27 19.883 -3.312 0.327 380 HD2 HIS 27 HD2 HIS 27 16.719 -1.123 -1.332 381 HE1 HIS 27 HE1 HIS 27 15.846 -4.581 0.628 382 HE1 HIS 27 HE1 HIS 27 17.613 -4.757 0.668 383 H ILE 28 H ILE 28 18.147 -4.497 -3.379 384 H ILE 28 H ILE 28 19.376 -4.260 -4.995 385 HA ILE 28 HA ILE 28 20.533 -5.703 -2.270 386 HA ILE 28 HA ILE 28 21.135 -5.993 -3.389 387 HB ILE 28 HB ILE 28 18.028 -6.921 -3.430 388 HB ILE 28 HB ILE 28 18.840 -6.763 -5.193 389 HG12 ILE 28 HG12 ILE 28 19.065 -6.596 -0.609 390 HG12 ILE 28 HG12 ILE 28 19.179 -6.508 -2.229 391 HG13 ILE 28 HG13 ILE 28 17.631 -5.851 -1.306 392 HG13 ILE 28 HG13 ILE 28 17.825 -6.017 -3.243 393 HG21 ILE 28 HG21 ILE 28 20.372 -8.292 -2.119 394 HG21 ILE 28 HG21 ILE 28 19.252 -9.037 -4.593 395 HG22 ILE 28 HG22 ILE 28 18.854 -9.064 -2.576 396 HG22 ILE 28 HG22 ILE 28 20.764 -8.358 -5.195 397 HG23 ILE 28 HG23 ILE 28 19.916 -8.404 -3.819 398 HG23 ILE 28 HG23 ILE 28 20.519 -8.565 -3.461 399 HD11 ILE 28 HD11 ILE 28 18.056 -8.757 -0.674 400 HD11 ILE 28 HD11 ILE 28 18.536 -8.788 -2.335 401 HD12 ILE 28 HD12 ILE 28 16.934 -7.636 0.098 402 HD12 ILE 28 HD12 ILE 28 17.098 -7.847 -1.940 403 HD13 ILE 28 HD13 ILE 28 16.673 -8.135 -1.573 404 HD13 ILE 28 HD13 ILE 28 17.334 -8.453 -3.580 405 H THR 29 H THR 29 18.809 -5.891 -5.386 406 H THR 29 H THR 29 20.184 -5.162 -6.698 407 HA THR 29 HA THR 29 21.086 -7.153 -6.649 408 HA THR 29 HA THR 29 22.825 -6.088 -7.604 409 HB THR 29 HB THR 29 19.633 -6.901 -8.743 410 HB THR 29 HB THR 29 21.941 -7.078 -9.580 411 HG1 THR 29 HG1 THR 29 17.603 -6.173 -8.489 412 HG1 THR 29 HG1 THR 29 19.669 -7.003 -10.012 413 HG21 THR 29 HG21 THR 29 18.881 -8.523 -6.333 414 HG21 THR 29 HG21 THR 29 21.824 -8.555 -7.678 415 HG22 THR 29 HG22 THR 29 17.971 -8.659 -7.838 416 HG22 THR 29 HG22 THR 29 20.272 -7.873 -7.193 417 HG23 THR 29 HG23 THR 29 19.693 -9.041 -7.811 418 HG23 THR 29 HG23 THR 29 20.397 -8.811 -8.681 419 H ASN 30 H ASN 30 20.034 -3.984 -6.065 420 H ASN 30 H ASN 30 21.663 -3.423 -6.945 421 HA ASN 30 HA ASN 30 20.775 -1.938 -6.724 422 HA ASN 30 HA ASN 30 21.316 -1.342 -7.892 423 HB2 ASN 30 HB2 ASN 30 23.006 -3.426 -6.458 424 HB2 ASN 30 HB2 ASN 30 23.962 -2.280 -8.108 425 HB3 ASN 30 HB3 ASN 30 23.130 -3.021 -8.168 426 HB3 ASN 30 HB3 ASN 30 23.619 -1.454 -9.625 427 HD21 ASN 30 HD21 ASN 30 22.006 -0.491 -8.147 428 HD21 ASN 30 HD21 ASN 30 21.836 0.473 -8.675 429 HD22 ASN 30 HD22 ASN 30 23.046 0.576 -7.272 430 HD22 ASN 30 HD22 ASN 30 22.709 1.581 -7.676 431 H ALA 31 H ALA 31 19.305 -3.861 -8.614 432 H ALA 31 H ALA 31 19.442 -1.711 -9.145 433 HA ALA 31 HA ALA 31 20.022 -2.653 -11.186 434 HA ALA 31 HA ALA 31 19.842 -1.281 -11.960 435 HB1 ALA 31 HB1 ALA 31 19.803 -5.103 -11.085 436 HB1 ALA 31 HB1 ALA 31 18.610 -3.207 -12.754 437 HB2 ALA 31 HB2 ALA 31 18.113 -4.917 -10.616 438 HB2 ALA 31 HB2 ALA 31 20.006 -3.735 -11.816 439 HB3 ALA 31 HB3 ALA 31 18.652 -4.371 -12.204 440 HB3 ALA 31 HB3 ALA 31 18.395 -3.784 -11.102 441 H SER 32 H SER 32 18.795 -1.152 -12.144 442 H SER 32 H SER 32 18.184 -0.155 -12.838 443 HA SER 32 HA SER 32 16.382 -0.267 -10.761 444 HA SER 32 HA SER 32 15.740 0.132 -11.217 445 HB2 SER 32 HB2 SER 32 17.247 1.242 -13.134 446 HB2 SER 32 HB2 SER 32 15.629 2.470 -11.829 447 HB3 SER 32 HB3 SER 32 16.865 1.814 -11.511 448 HB3 SER 32 HB3 SER 32 17.222 2.146 -11.145 449 HG SER 32 HG SER 32 19.003 2.126 -11.658 450 HG SER 32 HG SER 32 17.143 3.406 -13.161 451 H GLN 33 H GLN 33 14.431 0.209 -11.924 452 H GLN 33 H GLN 33 13.848 -0.157 -12.233 453 HA GLN 33 HA GLN 33 14.075 -0.787 -14.598 454 HA GLN 33 HA GLN 33 13.731 -0.003 -15.147 455 HB2 GLN 33 HB2 GLN 33 13.893 -2.708 -12.693 456 HB2 GLN 33 HB2 GLN 33 12.700 -2.166 -15.385 457 HB3 GLN 33 HB3 GLN 33 12.229 -2.142 -12.733 458 HB3 GLN 33 HB3 GLN 33 14.236 -2.365 -14.552 459 HG2 GLN 33 HG2 GLN 33 13.077 -2.451 -15.410 460 HG2 GLN 33 HG2 GLN 33 13.271 -3.139 -12.688 461 HG3 GLN 33 HG3 GLN 33 13.568 -3.894 -14.526 462 HG3 GLN 33 HG3 GLN 33 11.938 -1.990 -12.779 463 HE21 GLN 33 HE21 GLN 33 11.850 -4.865 -13.132 464 HE21 GLN 33 HE21 GLN 33 10.859 -4.038 -12.013 465 HE22 GLN 33 HE22 GLN 33 10.243 -4.901 -13.766 466 HE22 GLN 33 HE22 GLN 33 10.213 -5.078 -13.232 467 H PHE 34 H PHE 34 11.452 -0.962 -14.878 468 H PHE 34 H PHE 34 11.625 0.291 -15.989 469 HA PHE 34 HA PHE 34 10.227 1.332 -13.532 470 HA PHE 34 HA PHE 34 9.724 1.308 -13.995 471 HB2 PHE 34 HB2 PHE 34 10.883 1.114 -16.415 472 HB2 PHE 34 HB2 PHE 34 9.632 1.844 -16.960 473 HB3 PHE 34 HB3 PHE 34 9.289 1.752 -16.026 474 HB3 PHE 34 HB3 PHE 34 8.857 2.751 -15.665 475 HD1 PHE 34 HD1 PHE 34 9.017 3.925 -15.117 476 HD1 PHE 34 HD1 PHE 34 10.145 4.278 -14.272 477 HD2 PHE 34 HD2 PHE 34 12.910 2.278 -15.618 478 HD2 PHE 34 HD2 PHE 34 11.939 2.183 -17.513 479 HE1 PHE 34 HE1 PHE 34 10.005 6.139 -14.693 480 HE1 PHE 34 HE1 PHE 34 12.068 5.812 -14.195 481 HE2 PHE 34 HE2 PHE 34 13.904 4.488 -15.193 482 HE2 PHE 34 HE2 PHE 34 13.866 3.712 -17.440 483 HZ PHE 34 HZ PHE 34 12.451 6.421 -14.730 484 HZ PHE 34 HZ PHE 34 13.932 5.529 -15.780 485 H GLU 35 H GLU 35 9.631 -1.147 -16.028 486 H GLU 35 H GLU 35 10.029 -1.521 -14.690 487 HA GLU 35 HA GLU 35 6.852 -1.296 -15.618 488 HA GLU 35 HA GLU 35 7.391 -2.023 -15.905 489 HB2 GLU 35 HB2 GLU 35 8.731 -3.404 -16.695 490 HB2 GLU 35 HB2 GLU 35 9.980 -3.233 -16.331 491 HB3 GLU 35 HB3 GLU 35 6.981 -3.428 -16.849 492 HB3 GLU 35 HB3 GLU 35 8.814 -4.441 -15.811 493 HG2 GLU 35 HG2 GLU 35 7.555 -2.578 -18.879 494 HG2 GLU 35 HG2 GLU 35 8.642 -2.632 -18.202 495 HG3 GLU 35 HG3 GLU 35 7.363 -1.085 -17.962 496 HG3 GLU 35 HG3 GLU 35 8.786 -4.389 -18.180 497 H ARG 36 H ARG 36 5.609 -2.415 -14.226 498 H ARG 36 H ARG 36 6.230 -3.930 -15.059 499 HA ARG 36 HA ARG 36 6.493 -3.229 -11.762 500 HA ARG 36 HA ARG 36 6.033 -3.796 -12.223 501 HB2 ARG 36 HB2 ARG 36 4.134 -2.846 -12.276 502 HB2 ARG 36 HB2 ARG 36 4.074 -4.193 -13.640 503 HB3 ARG 36 HB3 ARG 36 4.105 -4.287 -13.284 504 HB3 ARG 36 HB3 ARG 36 4.760 -5.722 -14.175 505 HG2 ARG 36 HG2 ARG 36 4.805 -5.541 -11.154 506 HG2 ARG 36 HG2 ARG 36 3.249 -6.385 -12.567 507 HG3 ARG 36 HG3 ARG 36 4.294 -4.080 -10.305 508 HG3 ARG 36 HG3 ARG 36 4.762 -6.323 -11.660 509 HD2 ARG 36 HD2 ARG 36 2.078 -4.270 -11.353 510 HD2 ARG 36 HD2 ARG 36 4.179 -4.118 -10.809 511 HD3 ARG 36 HD3 ARG 36 2.597 -5.752 -12.155 512 HD3 ARG 36 HD3 ARG 36 2.690 -4.133 -11.754 513 HE ARG 36 HE ARG 36 2.285 -6.884 -10.190 514 HE ARG 36 HE ARG 36 2.466 -6.355 -10.239 515 HH11 ARG 36 HH11 ARG 36 2.333 -3.464 -9.545 516 HH11 ARG 36 HH11 ARG 36 3.185 -3.032 -9.493 517 HH12 ARG 36 HH12 ARG 36 1.846 -3.636 -7.891 518 HH12 ARG 36 HH12 ARG 36 2.476 -3.096 -7.915 519 HH21 ARG 36 HH21 ARG 36 1.643 -7.124 -8.015 520 HH21 ARG 36 HH21 ARG 36 1.529 -6.453 -8.162 521 HH22 ARG 36 HH22 ARG 36 1.454 -5.719 -7.022 522 HH22 ARG 36 HH22 ARG 36 1.535 -5.043 -7.157 523 HA PRO 37 HA PRO 37 8.734 -6.931 -12.976 524 HA PRO 37 HA PRO 37 9.259 -6.825 -11.522 525 HB2 PRO 37 HB2 PRO 37 9.878 -7.313 -10.543 526 HB2 PRO 37 HB2 PRO 37 9.220 -6.598 -8.816 527 HB3 PRO 37 HB3 PRO 37 10.481 -6.134 -11.714 528 HB3 PRO 37 HB3 PRO 37 10.023 -5.425 -9.868 529 HG2 PRO 37 HG2 PRO 37 8.731 -5.705 -9.324 530 HG2 PRO 37 HG2 PRO 37 7.329 -5.274 -8.572 531 HG3 PRO 37 HG3 PRO 37 10.106 -4.740 -9.892 532 HG3 PRO 37 HG3 PRO 37 8.570 -4.015 -8.724 533 HD2 PRO 37 HD2 PRO 37 7.535 -4.022 -10.349 534 HD2 PRO 37 HD2 PRO 37 6.404 -4.130 -10.346 535 HD3 PRO 37 HD3 PRO 37 8.847 -3.653 -11.487 536 HD3 PRO 37 HD3 PRO 37 7.979 -3.518 -10.896 537 H SER 38 H SER 38 6.528 -7.923 -13.107 538 H SER 38 H SER 38 8.230 -8.724 -12.124 539 HA SER 38 HA SER 38 5.716 -9.358 -10.691 540 HA SER 38 HA SER 38 7.033 -10.225 -9.938 541 HB2 SER 38 HB2 SER 38 4.118 -8.088 -12.327 542 HB2 SER 38 HB2 SER 38 5.584 -10.405 -12.539 543 HB3 SER 38 HB3 SER 38 4.266 -9.541 -13.315 544 HB3 SER 38 HB3 SER 38 4.982 -10.635 -10.897 545 HG SER 38 HG SER 38 2.530 -9.333 -11.566 546 HG SER 38 HG SER 38 4.163 -8.711 -11.513 547 H GLY 39 H GLY 39 8.115 -10.257 -11.603 548 H GLY 39 H GLY 39 9.469 -10.773 -10.670 549 HA2 GLY 39 HA2 GLY 39 7.991 -12.942 -11.672 550 HA2 GLY 39 HA2 GLY 39 10.740 -12.619 -11.235 551 HA3 GLY 39 HA3 GLY 39 7.715 -12.530 -13.358 552 HA3 GLY 39 HA3 GLY 39 9.279 -13.396 -11.822 Start of MODEL 19 1 H1 SER 5 H SER 5 0.575 0.510 -3.002 2 H1 SER 5 H SER 5 0.068 1.078 -2.829 3 HA SER 5 HA SER 5 2.428 0.073 -1.177 4 HA SER 5 HA SER 5 2.366 0.320 -1.553 5 HB2 SER 5 HB2 SER 5 0.602 -1.713 -0.203 6 HB2 SER 5 HB2 SER 5 -0.482 0.531 -0.674 7 HB3 SER 5 HB3 SER 5 0.450 0.040 -0.077 8 HB3 SER 5 HB3 SER 5 0.683 -0.196 0.432 9 HG SER 5 HG SER 5 -1.420 -0.594 -0.993 10 HG SER 5 HG SER 5 0.366 2.172 0.544 11 H LYS 6 H LYS 6 0.721 -2.849 -2.272 12 H LYS 6 H LYS 6 2.775 -1.621 -3.006 13 HA LYS 6 HA LYS 6 2.580 -4.687 -1.396 14 HA LYS 6 HA LYS 6 2.553 -3.978 -1.437 15 HB2 LYS 6 HB2 LYS 6 1.581 -6.255 -3.009 16 HB2 LYS 6 HB2 LYS 6 1.344 -5.294 -3.276 17 HB3 LYS 6 HB3 LYS 6 0.356 -5.333 -2.149 18 HB3 LYS 6 HB3 LYS 6 0.365 -4.268 -2.235 19 HG2 LYS 6 HG2 LYS 6 0.936 -3.860 -4.457 20 HG2 LYS 6 HG2 LYS 6 0.390 -2.525 -3.979 21 HG3 LYS 6 HG3 LYS 6 0.830 -5.546 -4.967 22 HG3 LYS 6 HG3 LYS 6 1.291 -3.623 -5.027 23 HD2 LYS 6 HD2 LYS 6 -1.370 -4.848 -5.127 24 HD2 LYS 6 HD2 LYS 6 -1.047 -3.713 -5.608 25 HD3 LYS 6 HD3 LYS 6 -1.329 -5.576 -3.519 26 HD3 LYS 6 HD3 LYS 6 -0.579 -5.242 -4.859 27 HE2 LYS 6 HE2 LYS 6 -1.291 -3.487 -2.455 28 HE2 LYS 6 HE2 LYS 6 -1.817 -4.855 -2.979 29 HE3 LYS 6 HE3 LYS 6 -0.833 -2.644 -3.934 30 HE3 LYS 6 HE3 LYS 6 -1.649 -3.104 -3.098 31 HZ1 LYS 6 HZ1 LYS 6 -3.152 -3.671 -4.685 32 HZ1 LYS 6 HZ1 LYS 6 -3.846 -4.565 -3.797 33 HZ2 LYS 6 HZ2 LYS 6 -3.458 -3.511 -3.029 34 HZ2 LYS 6 HZ2 LYS 6 -3.546 -2.954 -4.219 35 HZ3 LYS 6 HZ3 LYS 6 -3.020 -2.156 -3.943 36 HZ3 LYS 6 HZ3 LYS 6 -3.127 -4.199 -5.284 37 H LEU 7 H LEU 7 4.621 -5.060 -1.930 38 H LEU 7 H LEU 7 4.582 -4.648 -1.677 39 HA LEU 7 HA LEU 7 5.468 -4.950 -4.701 40 HA LEU 7 HA LEU 7 5.550 -5.296 -4.338 41 HB2 LEU 7 HB2 LEU 7 6.025 -2.833 -2.831 42 HB2 LEU 7 HB2 LEU 7 7.139 -3.525 -2.486 43 HB3 LEU 7 HB3 LEU 7 7.521 -3.601 -3.358 44 HB3 LEU 7 HB3 LEU 7 7.664 -4.136 -4.053 45 HG LEU 7 HG LEU 7 6.582 -3.230 -5.746 46 HG LEU 7 HG LEU 7 5.354 -2.238 -3.653 47 HD11 LEU 7 HD11 LEU 7 4.664 -1.772 -4.067 48 HD11 LEU 7 HD11 LEU 7 7.986 -1.464 -4.832 49 HD12 LEU 7 HD12 LEU 7 5.300 -0.869 -5.441 50 HD12 LEU 7 HD12 LEU 7 6.737 -0.451 -4.106 51 HD13 LEU 7 HD13 LEU 7 4.491 -2.414 -5.701 52 HD13 LEU 7 HD13 LEU 7 7.767 -1.452 -3.081 53 HD21 LEU 7 HD21 LEU 7 8.477 -2.030 -5.373 54 HD21 LEU 7 HD21 LEU 7 5.657 -3.849 -5.728 55 HD22 LEU 7 HD22 LEU 7 7.324 -0.697 -5.448 56 HD22 LEU 7 HD22 LEU 7 5.118 -2.181 -5.921 57 HD23 LEU 7 HD23 LEU 7 7.863 -1.310 -3.885 58 HD23 LEU 7 HD23 LEU 7 6.804 -2.604 -6.221 59 HA PRO 8 HA PRO 8 8.061 -8.275 -3.486 60 HA PRO 8 HA PRO 8 7.289 -8.752 -2.260 61 HB2 PRO 8 HB2 PRO 8 10.155 -7.979 -5.190 62 HB2 PRO 8 HB2 PRO 8 9.393 -9.315 -3.879 63 HB3 PRO 8 HB3 PRO 8 8.564 -8.546 -5.712 64 HB3 PRO 8 HB3 PRO 8 7.716 -9.629 -4.340 65 HG2 PRO 8 HG2 PRO 8 9.756 -5.808 -5.912 66 HG2 PRO 8 HG2 PRO 8 9.489 -7.336 -5.088 67 HG3 PRO 8 HG3 PRO 8 8.820 -6.711 -7.116 68 HG3 PRO 8 HG3 PRO 8 8.372 -8.265 -6.104 69 HD2 PRO 8 HD2 PRO 8 7.727 -4.768 -5.580 70 HD2 PRO 8 HD2 PRO 8 7.743 -5.831 -5.098 71 HD3 PRO 8 HD3 PRO 8 6.805 -6.180 -6.132 72 HD3 PRO 8 HD3 PRO 8 6.528 -7.097 -5.366 73 HA PRO 9 HA PRO 9 11.067 -6.875 -0.586 74 HA PRO 9 HA PRO 9 10.688 -7.695 0.323 75 HB2 PRO 9 HB2 PRO 9 12.606 -9.101 -0.375 76 HB2 PRO 9 HB2 PRO 9 12.123 -9.996 0.470 77 HB3 PRO 9 HB3 PRO 9 10.984 -8.986 0.316 78 HB3 PRO 9 HB3 PRO 9 10.550 -9.793 1.252 79 HG2 PRO 9 HG2 PRO 9 11.864 -10.259 -2.246 80 HG2 PRO 9 HG2 PRO 9 11.217 -11.129 -1.342 81 HG3 PRO 9 HG3 PRO 9 10.716 -10.859 -1.036 82 HG3 PRO 9 HG3 PRO 9 10.112 -11.660 -0.062 83 HD2 PRO 9 HD2 PRO 9 9.920 -9.683 -3.342 84 HD2 PRO 9 HD2 PRO 9 9.245 -10.464 -2.332 85 HD3 PRO 9 HD3 PRO 9 8.997 -9.545 -1.832 86 HD3 PRO 9 HD3 PRO 9 8.418 -10.268 -0.773 87 H GLY 10 H GLY 10 12.796 -5.601 -0.813 88 H GLY 10 H GLY 10 12.026 -6.203 -0.575 89 HA2 GLY 10 HA2 GLY 10 15.123 -5.327 -1.374 90 HA2 GLY 10 HA2 GLY 10 14.385 -5.892 -1.119 91 HA3 GLY 10 HA3 GLY 10 14.862 -6.362 -2.769 92 HA3 GLY 10 HA3 GLY 10 14.239 -7.246 -2.229 93 H TRP 11 H TRP 11 12.331 -4.963 -3.431 94 H TRP 11 H TRP 11 12.078 -4.470 -1.797 95 HA TRP 11 HA TRP 11 13.555 -2.778 -4.913 96 HA TRP 11 HA TRP 11 12.939 -3.331 -4.327 97 HB2 TRP 11 HB2 TRP 11 10.830 -4.076 -5.076 98 HB2 TRP 11 HB2 TRP 11 10.254 -4.606 -3.902 99 HB3 TRP 11 HB3 TRP 11 11.317 -2.705 -6.069 100 HB3 TRP 11 HB3 TRP 11 10.426 -3.249 -5.013 101 HD1 TRP 11 HD1 TRP 11 11.726 -6.457 -5.748 102 HD1 TRP 11 HD1 TRP 11 11.474 -6.913 -4.579 103 HE1 TRP 11 HE1 TRP 11 13.005 -7.346 -7.798 104 HE1 TRP 11 HE1 TRP 11 12.247 -7.818 -6.860 105 HE3 TRP 11 HE3 TRP 11 13.157 -2.002 -7.809 106 HE3 TRP 11 HE3 TRP 11 11.389 -2.556 -7.252 107 HZ2 TRP 11 HZ2 TRP 11 14.431 -6.298 -9.996 108 HZ2 TRP 11 HZ2 TRP 11 12.756 -6.817 -9.451 109 HZ3 TRP 11 HZ3 TRP 11 14.476 -2.032 -9.885 110 HZ3 TRP 11 HZ3 TRP 11 12.034 -2.615 -9.625 111 HH2 TRP 11 HH2 TRP 11 15.100 -4.137 -10.955 112 HH2 TRP 11 HH2 TRP 11 12.703 -4.703 -10.700 113 H GLU 12 H GLU 12 12.411 -0.696 -5.101 114 H GLU 12 H GLU 12 13.172 -1.241 -3.920 115 HA GLU 12 HA GLU 12 10.625 0.046 -2.954 116 HA GLU 12 HA GLU 12 11.392 0.028 -1.954 117 HB2 GLU 12 HB2 GLU 12 12.001 1.549 -1.819 118 HB2 GLU 12 HB2 GLU 12 14.107 0.031 -2.016 119 HB3 GLU 12 HB3 GLU 12 13.053 0.166 -2.090 120 HB3 GLU 12 HB3 GLU 12 13.764 1.507 -2.907 121 HG2 GLU 12 HG2 GLU 12 14.141 1.270 -3.914 122 HG2 GLU 12 HG2 GLU 12 12.308 2.210 -0.994 123 HG3 GLU 12 HG3 GLU 12 12.994 2.606 -3.846 124 HG3 GLU 12 HG3 GLU 12 12.930 0.822 -0.102 125 H LYS 13 H LYS 13 9.368 1.761 -3.479 126 H LYS 13 H LYS 13 9.837 1.291 -2.700 127 HA LYS 13 HA LYS 13 9.577 2.769 -6.180 128 HA LYS 13 HA LYS 13 9.891 2.189 -5.464 129 HB2 LYS 13 HB2 LYS 13 7.389 2.142 -5.285 130 HB2 LYS 13 HB2 LYS 13 7.849 1.170 -4.434 131 HB3 LYS 13 HB3 LYS 13 7.558 3.331 -4.000 132 HB3 LYS 13 HB3 LYS 13 7.729 2.578 -3.387 133 HG2 LYS 13 HG2 LYS 13 7.932 4.724 -6.408 134 HG2 LYS 13 HG2 LYS 13 7.931 3.614 -5.965 135 HG3 LYS 13 HG3 LYS 13 6.545 3.660 -6.655 136 HG3 LYS 13 HG3 LYS 13 6.845 2.229 -6.103 137 HD2 LYS 13 HD2 LYS 13 6.127 4.690 -4.127 138 HD2 LYS 13 HD2 LYS 13 5.310 3.128 -4.598 139 HD3 LYS 13 HD3 LYS 13 6.795 6.057 -5.022 140 HD3 LYS 13 HD3 LYS 13 6.495 4.239 -3.907 141 HE2 LYS 13 HE2 LYS 13 5.068 6.003 -6.607 142 HE2 LYS 13 HE2 LYS 13 6.539 5.391 -6.153 143 HE3 LYS 13 HE3 LYS 13 4.572 4.378 -6.140 144 HE3 LYS 13 HE3 LYS 13 5.144 4.407 -6.593 145 HZ1 LYS 13 HZ1 LYS 13 4.185 5.646 -3.855 146 HZ1 LYS 13 HZ1 LYS 13 4.666 5.599 -4.096 147 HZ2 LYS 13 HZ2 LYS 13 3.928 6.939 -4.916 148 HZ2 LYS 13 HZ2 LYS 13 5.170 6.803 -5.171 149 HZ3 LYS 13 HZ3 LYS 13 2.991 5.536 -5.050 150 HZ3 LYS 13 HZ3 LYS 13 3.837 5.835 -5.552 151 H ARG 14 H ARG 14 10.222 4.751 -6.805 152 H ARG 14 H ARG 14 11.096 3.960 -5.794 153 HA ARG 14 HA ARG 14 10.580 6.852 -4.810 154 HA ARG 14 HA ARG 14 10.705 6.247 -3.975 155 HB2 ARG 14 HB2 ARG 14 12.762 5.494 -6.311 156 HB2 ARG 14 HB2 ARG 14 13.125 5.649 -5.686 157 HB3 ARG 14 HB3 ARG 14 12.879 7.237 -6.110 158 HB3 ARG 14 HB3 ARG 14 12.947 6.992 -4.565 159 HG2 ARG 14 HG2 ARG 14 12.256 6.405 -3.581 160 HG2 ARG 14 HG2 ARG 14 12.541 4.335 -3.387 161 HG3 ARG 14 HG3 ARG 14 13.276 5.093 -4.176 162 HG3 ARG 14 HG3 ARG 14 14.172 4.657 -3.979 163 HD2 ARG 14 HD2 ARG 14 15.125 6.382 -4.230 164 HD2 ARG 14 HD2 ARG 14 12.612 6.356 -2.036 165 HD3 ARG 14 HD3 ARG 14 14.240 7.808 -4.771 166 HD3 ARG 14 HD3 ARG 14 13.956 5.288 -1.636 167 HE ARG 14 HE ARG 14 14.843 7.060 -2.053 168 HE ARG 14 HE ARG 14 15.052 6.939 -3.454 169 HH11 ARG 14 HH11 ARG 14 12.791 8.943 -4.143 170 HH11 ARG 14 HH11 ARG 14 13.175 7.523 -0.580 171 HH12 ARG 14 HH12 ARG 14 12.355 10.078 -2.908 172 HH12 ARG 14 HH12 ARG 14 13.929 9.045 -0.240 173 HH21 ARG 14 HH21 ARG 14 14.279 8.549 -0.420 174 HH21 ARG 14 HH21 ARG 14 16.051 8.942 -3.017 175 HH22 ARG 14 HH22 ARG 14 13.204 9.854 -0.792 176 HH22 ARG 14 HH22 ARG 14 15.565 9.852 -1.626 177 H MET 15 H MET 15 11.088 8.969 -5.828 178 H MET 15 H MET 15 11.145 8.394 -5.082 179 HA MET 15 HA MET 15 9.759 9.163 -8.445 180 HA MET 15 HA MET 15 9.876 8.366 -7.739 181 HB2 MET 15 HB2 MET 15 9.915 11.045 -6.107 182 HB2 MET 15 HB2 MET 15 8.883 9.551 -5.543 183 HB3 MET 15 HB3 MET 15 9.488 11.624 -7.712 184 HB3 MET 15 HB3 MET 15 9.897 10.860 -6.131 185 HG2 MET 15 HG2 MET 15 7.448 10.653 -7.675 186 HG2 MET 15 HG2 MET 15 7.714 11.182 -7.001 187 HG3 MET 15 HG3 MET 15 7.996 9.284 -6.710 188 HG3 MET 15 HG3 MET 15 8.753 10.673 -8.330 189 HE1 MET 15 HE1 MET 15 5.199 10.770 -6.338 190 HE1 MET 15 HE1 MET 15 5.176 8.481 -6.550 191 HE2 MET 15 HE2 MET 15 5.678 9.409 -5.323 192 HE2 MET 15 HE2 MET 15 6.265 9.513 -5.625 193 HE3 MET 15 HE3 MET 15 5.089 10.898 -4.583 194 HE3 MET 15 HE3 MET 15 5.280 10.203 -6.915 195 H SER 16 H SER 16 10.731 10.187 -10.128 196 H SER 16 H SER 16 10.866 9.337 -9.419 197 HA SER 16 HA SER 16 13.510 10.347 -10.240 198 HA SER 16 HA SER 16 13.612 9.931 -9.287 199 HB2 SER 16 HB2 SER 16 11.311 10.811 -12.019 200 HB2 SER 16 HB2 SER 16 12.050 11.094 -11.525 201 HB3 SER 16 HB3 SER 16 12.469 12.131 -12.185 202 HB3 SER 16 HB3 SER 16 13.509 10.106 -11.562 203 HG SER 16 HG SER 16 13.952 10.768 -12.913 204 HG SER 16 HG SER 16 12.329 8.327 -11.566 205 H ARG 17 H ARG 17 14.376 12.639 -11.284 206 H ARG 17 H ARG 17 13.802 12.260 -10.907 207 HA ARG 17 HA ARG 17 14.976 14.263 -9.158 208 HA ARG 17 HA ARG 17 13.986 14.248 -8.933 209 HB2 ARG 17 HB2 ARG 17 16.217 14.401 -11.222 210 HB2 ARG 17 HB2 ARG 17 14.550 15.767 -10.746 211 HB3 ARG 17 HB3 ARG 17 14.799 14.978 -12.087 212 HB3 ARG 17 HB3 ARG 17 15.358 14.222 -10.980 213 HG2 ARG 17 HG2 ARG 17 14.834 16.997 -10.597 214 HG2 ARG 17 HG2 ARG 17 13.693 13.583 -12.634 215 HG3 ARG 17 HG3 ARG 17 16.397 16.435 -10.000 216 HG3 ARG 17 HG3 ARG 17 12.844 15.109 -12.382 217 HD2 ARG 17 HD2 ARG 17 15.659 17.305 -12.780 218 HD2 ARG 17 HD2 ARG 17 14.388 14.982 -14.392 219 HD3 ARG 17 HD3 ARG 17 16.880 17.988 -11.707 220 HD3 ARG 17 HD3 ARG 17 14.604 16.362 -13.314 221 HE ARG 17 HE ARG 17 17.175 15.720 -13.443 222 HE ARG 17 HE ARG 17 16.307 14.112 -12.727 223 HH11 ARG 17 HH11 ARG 17 18.334 17.280 -10.556 224 HH11 ARG 17 HH11 ARG 17 15.942 17.060 -14.541 225 HH12 ARG 17 HH12 ARG 17 19.897 16.537 -10.625 226 HH12 ARG 17 HH12 ARG 17 17.645 17.300 -14.744 227 HH21 ARG 17 HH21 ARG 17 19.229 14.734 -13.545 228 HH21 ARG 17 HH21 ARG 17 18.553 14.417 -12.986 229 HH22 ARG 17 HH22 ARG 17 20.406 15.089 -12.325 230 HH22 ARG 17 HH22 ARG 17 19.129 15.796 -13.859 231 H ASN 18 H ASN 18 13.058 15.690 -11.763 232 H ASN 18 H ASN 18 12.953 16.483 -10.527 233 HA ASN 18 HA ASN 18 11.126 16.654 -9.768 234 HA ASN 18 HA ASN 18 10.277 16.498 -9.452 235 HB2 ASN 18 HB2 ASN 18 11.104 18.851 -10.995 236 HB2 ASN 18 HB2 ASN 18 10.222 18.828 -10.100 237 HB3 ASN 18 HB3 ASN 18 12.596 18.515 -10.121 238 HB3 ASN 18 HB3 ASN 18 11.779 18.486 -9.351 239 HD21 ASN 18 HD21 ASN 18 13.871 19.824 -11.365 240 HD21 ASN 18 HD21 ASN 18 11.082 20.630 -11.147 241 HD22 ASN 18 HD22 ASN 18 14.256 19.480 -13.014 242 HD22 ASN 18 HD22 ASN 18 12.110 20.475 -12.527 243 H SER 19 H SER 19 11.032 14.495 -11.759 244 H SER 19 H SER 19 11.061 14.760 -11.797 245 HA SER 19 HA SER 19 8.916 15.528 -13.529 246 HA SER 19 HA SER 19 9.501 15.829 -13.989 247 HB2 SER 19 HB2 SER 19 9.401 13.709 -15.039 248 HB2 SER 19 HB2 SER 19 10.094 13.724 -15.136 249 HB3 SER 19 HB3 SER 19 10.922 14.509 -14.641 250 HB3 SER 19 HB3 SER 19 11.519 14.529 -14.479 251 HG SER 19 HG SER 19 11.302 12.359 -14.414 252 HG SER 19 HG SER 19 11.058 12.108 -14.106 253 H GLY 20 H GLY 20 9.217 14.079 -10.659 254 H GLY 20 H GLY 20 9.143 13.485 -11.411 255 HA2 GLY 20 HA2 GLY 20 7.955 12.610 -9.409 256 HA2 GLY 20 HA2 GLY 20 7.063 12.838 -10.509 257 HA3 GLY 20 HA3 GLY 20 6.619 13.307 -10.314 258 HA3 GLY 20 HA3 GLY 20 6.284 13.342 -12.002 259 H ARG 21 H ARG 21 9.163 11.465 -11.847 260 H ARG 21 H ARG 21 8.522 11.794 -13.436 261 HA ARG 21 HA ARG 21 7.199 9.576 -12.826 262 HA ARG 21 HA ARG 21 7.104 9.547 -14.138 263 HB2 ARG 21 HB2 ARG 21 9.565 10.648 -13.839 264 HB2 ARG 21 HB2 ARG 21 10.005 10.258 -14.247 265 HB3 ARG 21 HB3 ARG 21 9.953 8.964 -13.508 266 HB3 ARG 21 HB3 ARG 21 9.524 8.613 -14.639 267 HG2 ARG 21 HG2 ARG 21 9.141 8.644 -15.574 268 HG2 ARG 21 HG2 ARG 21 8.355 11.045 -15.966 269 HG3 ARG 21 HG3 ARG 21 7.581 8.672 -14.749 270 HG3 ARG 21 HG3 ARG 21 9.744 10.156 -16.593 271 HD2 ARG 21 HD2 ARG 21 7.496 11.137 -15.181 272 HD2 ARG 21 HD2 ARG 21 7.075 8.887 -16.015 273 HD3 ARG 21 HD3 ARG 21 8.941 10.951 -16.175 274 HD3 ARG 21 HD3 ARG 21 7.521 9.537 -17.593 275 HE ARG 21 HE ARG 21 6.269 10.332 -16.922 276 HE ARG 21 HE ARG 21 8.451 7.085 -16.392 277 HH11 ARG 21 HH11 ARG 21 9.576 9.330 -17.343 278 HH11 ARG 21 HH11 ARG 21 9.062 9.548 -18.776 279 HH12 ARG 21 HH12 ARG 21 9.299 8.618 -18.898 280 HH12 ARG 21 HH12 ARG 21 10.061 8.530 -19.760 281 HH21 ARG 21 HH21 ARG 21 5.891 9.399 -18.969 282 HH21 ARG 21 HH21 ARG 21 9.764 5.736 -17.679 283 HH22 ARG 21 HH22 ARG 21 7.203 8.660 -19.823 284 HH22 ARG 21 HH22 ARG 21 10.460 6.362 -19.137 285 H VAL 22 H VAL 22 6.723 7.752 -11.813 286 H VAL 22 H VAL 22 6.389 7.946 -12.904 287 HA VAL 22 HA VAL 22 8.339 6.792 -9.632 288 HA VAL 22 HA VAL 22 7.645 7.265 -10.409 289 HB VAL 22 HB VAL 22 5.809 5.707 -10.872 290 HB VAL 22 HB VAL 22 5.246 6.212 -11.880 291 HG11 VAL 22 HG11 VAL 22 7.316 4.764 -8.436 292 HG11 VAL 22 HG11 VAL 22 6.161 4.234 -10.949 293 HG12 VAL 22 HG12 VAL 22 5.685 4.254 -8.873 294 HG12 VAL 22 HG12 VAL 22 6.564 5.050 -9.438 295 HG13 VAL 22 HG13 VAL 22 7.043 3.863 -9.928 296 HG13 VAL 22 HG13 VAL 22 4.877 4.753 -9.855 297 HG21 VAL 22 HG21 VAL 22 5.905 7.922 -9.506 298 HG21 VAL 22 HG21 VAL 22 5.304 8.362 -10.456 299 HG22 VAL 22 HG22 VAL 22 4.643 6.738 -9.163 300 HG22 VAL 22 HG22 VAL 22 3.995 7.211 -10.191 301 HG23 VAL 22 HG23 VAL 22 6.060 6.844 -8.118 302 HG23 VAL 22 HG23 VAL 22 5.362 7.264 -9.077 303 H TYR 23 H TYR 23 9.498 4.897 -9.519 304 H TYR 23 H TYR 23 8.736 5.401 -9.878 305 HA TYR 23 HA TYR 23 9.635 3.153 -11.842 306 HA TYR 23 HA TYR 23 9.067 3.221 -11.691 307 HB2 TYR 23 HB2 TYR 23 12.149 3.315 -11.873 308 HB2 TYR 23 HB2 TYR 23 11.263 3.519 -12.419 309 HB3 TYR 23 HB3 TYR 23 11.307 4.746 -12.460 310 HB3 TYR 23 HB3 TYR 23 10.583 5.136 -12.568 311 HD1 TYR 23 HD1 TYR 23 13.456 3.380 -9.850 312 HD1 TYR 23 HD1 TYR 23 10.780 6.456 -10.148 313 HD2 TYR 23 HD2 TYR 23 11.279 6.806 -11.126 314 HD2 TYR 23 HD2 TYR 23 13.428 3.484 -11.651 315 HE1 TYR 23 HE1 TYR 23 14.703 4.762 -8.244 316 HE1 TYR 23 HE1 TYR 23 12.578 7.348 -8.726 317 HE2 TYR 23 HE2 TYR 23 12.522 8.198 -9.524 318 HE2 TYR 23 HE2 TYR 23 15.234 4.367 -10.232 319 HH TYR 23 HH TYR 23 14.579 8.192 -8.287 320 HH TYR 23 HH TYR 23 14.653 7.021 -7.960 321 H TYR 24 H TYR 24 11.496 1.441 -11.326 322 H TYR 24 H TYR 24 11.223 1.959 -10.839 323 HA TYR 24 HA TYR 24 11.014 0.550 -8.560 324 HA TYR 24 HA TYR 24 10.986 1.896 -7.902 325 HB2 TYR 24 HB2 TYR 24 11.263 -0.955 -11.145 326 HB2 TYR 24 HB2 TYR 24 11.299 -0.444 -9.793 327 HB3 TYR 24 HB3 TYR 24 11.620 -1.754 -9.617 328 HB3 TYR 24 HB3 TYR 24 11.327 -0.555 -8.037 329 HD1 TYR 24 HD1 TYR 24 9.871 -2.378 -8.107 330 HD1 TYR 24 HD1 TYR 24 9.246 0.079 -6.752 331 HD2 TYR 24 HD2 TYR 24 8.977 -0.136 -11.611 332 HD2 TYR 24 HD2 TYR 24 9.260 -0.436 -10.975 333 HE1 TYR 24 HE1 TYR 24 7.476 -2.825 -7.774 334 HE1 TYR 24 HE1 TYR 24 6.799 -0.170 -6.724 335 HE2 TYR 24 HE2 TYR 24 6.579 -0.575 -11.287 336 HE2 TYR 24 HE2 TYR 24 6.813 -0.684 -10.960 337 HH TYR 24 HH TYR 24 5.403 -2.364 -8.461 338 HH TYR 24 HH TYR 24 4.952 -0.500 -9.724 339 H PHE 25 H PHE 25 12.722 0.678 -7.281 340 H PHE 25 H PHE 25 12.862 0.981 -6.781 341 HA PHE 25 HA PHE 25 15.396 0.293 -8.456 342 HA PHE 25 HA PHE 25 15.372 1.289 -8.283 343 HB2 PHE 25 HB2 PHE 25 15.002 2.633 -7.750 344 HB2 PHE 25 HB2 PHE 25 14.628 3.248 -6.686 345 HB3 PHE 25 HB3 PHE 25 14.667 2.067 -6.117 346 HB3 PHE 25 HB3 PHE 25 15.225 2.172 -5.427 347 HD1 PHE 25 HD1 PHE 25 17.299 2.229 -8.716 348 HD1 PHE 25 HD1 PHE 25 16.307 3.472 -8.755 349 HD2 PHE 25 HD2 PHE 25 16.400 1.718 -4.588 350 HD2 PHE 25 HD2 PHE 25 17.402 2.441 -4.774 351 HE1 PHE 25 HE1 PHE 25 19.695 2.381 -8.179 352 HE1 PHE 25 HE1 PHE 25 18.601 4.249 -9.189 353 HE2 PHE 25 HE2 PHE 25 18.794 1.871 -4.043 354 HE2 PHE 25 HE2 PHE 25 19.698 3.218 -5.201 355 HZ PHE 25 HZ PHE 25 20.446 2.204 -5.841 356 HZ PHE 25 HZ PHE 25 20.299 4.124 -7.411 357 H ASN 26 H ASN 26 16.619 -1.267 -7.602 358 H ASN 26 H ASN 26 16.897 -0.220 -7.899 359 HA ASN 26 HA ASN 26 15.664 -2.558 -5.135 360 HA ASN 26 HA ASN 26 16.241 -2.296 -5.925 361 HB2 ASN 26 HB2 ASN 26 15.813 -3.821 -7.413 362 HB2 ASN 26 HB2 ASN 26 16.451 -2.948 -8.346 363 HB3 ASN 26 HB3 ASN 26 17.542 -3.870 -7.077 364 HB3 ASN 26 HB3 ASN 26 18.153 -2.507 -8.257 365 HD21 ASN 26 HD21 ASN 26 15.481 -5.992 -7.222 366 HD21 ASN 26 HD21 ASN 26 16.854 -5.087 -8.783 367 HD22 ASN 26 HD22 ASN 26 15.601 -6.842 -5.724 368 HD22 ASN 26 HD22 ASN 26 17.493 -6.178 -7.607 369 H HIS 27 H HIS 27 16.960 -2.681 -3.400 370 H HIS 27 H HIS 27 17.228 -1.824 -4.054 371 HA HIS 27 HA HIS 27 19.558 -1.367 -3.553 372 HA HIS 27 HA HIS 27 19.900 -0.683 -4.032 373 HB2 HIS 27 HB2 HIS 27 19.466 -1.533 -1.044 374 HB2 HIS 27 HB2 HIS 27 19.590 -0.592 -1.581 375 HB3 HIS 27 HB3 HIS 27 18.161 -0.597 -1.767 376 HB3 HIS 27 HB3 HIS 27 18.274 0.195 -2.447 377 HD1 HIS 27 HD1 HIS 27 18.787 -4.058 -0.348 378 HD1 HIS 27 HD1 HIS 27 15.971 -0.541 -1.860 379 HD2 HIS 27 HD2 HIS 27 15.661 -1.418 -1.064 380 HD2 HIS 27 HD2 HIS 27 18.852 -3.268 -0.625 381 HE1 HIS 27 HE1 HIS 27 16.764 -5.110 0.710 382 HE1 HIS 27 HE1 HIS 27 14.731 -2.266 -0.514 383 H ILE 28 H ILE 28 18.433 -4.434 -3.912 384 H ILE 28 H ILE 28 19.623 -3.335 -5.100 385 HA ILE 28 HA ILE 28 20.496 -5.818 -2.429 386 HA ILE 28 HA ILE 28 21.264 -4.808 -3.146 387 HB ILE 28 HB ILE 28 18.225 -6.670 -4.171 388 HB ILE 28 HB ILE 28 19.511 -6.219 -5.133 389 HG12 ILE 28 HG12 ILE 28 19.192 -7.281 -1.381 390 HG12 ILE 28 HG12 ILE 28 18.767 -5.285 -2.357 391 HG13 ILE 28 HG13 ILE 28 17.703 -6.473 -1.862 392 HG13 ILE 28 HG13 ILE 28 17.969 -4.869 -3.869 393 HG21 ILE 28 HG21 ILE 28 20.594 -8.386 -3.452 394 HG21 ILE 28 HG21 ILE 28 21.450 -7.302 -3.852 395 HG22 ILE 28 HG22 ILE 28 19.049 -9.016 -4.024 396 HG22 ILE 28 HG22 ILE 28 20.405 -7.177 -2.437 397 HG23 ILE 28 HG23 ILE 28 20.019 -7.978 -5.069 398 HG23 ILE 28 HG23 ILE 28 19.888 -8.121 -3.834 399 HD11 ILE 28 HD11 ILE 28 17.319 -8.831 -3.054 400 HD11 ILE 28 HD11 ILE 28 16.566 -6.533 -3.495 401 HD12 ILE 28 HD12 ILE 28 18.346 -9.346 -1.717 402 HD12 ILE 28 HD12 ILE 28 17.905 -7.655 -3.733 403 HD13 ILE 28 HD13 ILE 28 16.834 -8.496 -1.392 404 HD13 ILE 28 HD13 ILE 28 17.510 -7.085 -2.112 405 H THR 29 H THR 29 19.900 -4.769 -5.712 406 H THR 29 H THR 29 20.359 -4.806 -6.599 407 HA THR 29 HA THR 29 22.640 -5.541 -6.406 408 HA THR 29 HA THR 29 23.180 -5.374 -7.238 409 HB THR 29 HB THR 29 21.149 -5.887 -8.770 410 HB THR 29 HB THR 29 22.514 -6.538 -9.193 411 HG1 THR 29 HG1 THR 29 19.358 -6.832 -8.174 412 HG1 THR 29 HG1 THR 29 20.768 -5.918 -10.199 413 HG21 THR 29 HG21 THR 29 22.406 -7.911 -6.912 414 HG21 THR 29 HG21 THR 29 22.267 -7.881 -7.196 415 HG22 THR 29 HG22 THR 29 21.942 -8.217 -8.586 416 HG22 THR 29 HG22 THR 29 20.639 -7.254 -6.936 417 HG23 THR 29 HG23 THR 29 23.214 -7.050 -8.222 418 HG23 THR 29 HG23 THR 29 20.977 -8.283 -8.329 419 H ASN 30 H ASN 30 20.903 -3.046 -5.868 420 H ASN 30 H ASN 30 22.056 -2.740 -6.782 421 HA ASN 30 HA ASN 30 20.643 -0.929 -6.682 422 HA ASN 30 HA ASN 30 21.674 -0.711 -7.834 423 HB2 ASN 30 HB2 ASN 30 23.268 -1.486 -6.581 424 HB2 ASN 30 HB2 ASN 30 24.311 -1.581 -7.923 425 HB3 ASN 30 HB3 ASN 30 23.120 -1.157 -8.305 426 HB3 ASN 30 HB3 ASN 30 24.006 -1.004 -9.558 427 HD21 ASN 30 HD21 ASN 30 21.174 0.799 -8.276 428 HD21 ASN 30 HD21 ASN 30 22.181 1.023 -8.976 429 HD22 ASN 30 HD22 ASN 30 21.807 2.214 -7.513 430 HD22 ASN 30 HD22 ASN 30 23.011 2.283 -8.133 431 H ALA 31 H ALA 31 19.601 -3.170 -8.336 432 H ALA 31 H ALA 31 19.780 -1.334 -9.041 433 HA ALA 31 HA ALA 31 19.896 -2.249 -11.068 434 HA ALA 31 HA ALA 31 20.149 -0.950 -11.876 435 HB1 ALA 31 HB1 ALA 31 18.062 -4.078 -11.389 436 HB1 ALA 31 HB1 ALA 31 18.664 -3.426 -11.047 437 HB2 ALA 31 HB2 ALA 31 19.724 -4.546 -11.032 438 HB2 ALA 31 HB2 ALA 31 19.203 -2.953 -12.658 439 HB3 ALA 31 HB3 ALA 31 18.513 -4.543 -9.750 440 HB3 ALA 31 HB3 ALA 31 20.383 -3.448 -11.443 441 H SER 32 H SER 32 18.512 -0.990 -12.167 442 H SER 32 H SER 32 18.215 -0.379 -12.968 443 HA SER 32 HA SER 32 16.138 -0.023 -10.727 444 HA SER 32 HA SER 32 15.820 -0.050 -11.318 445 HB2 SER 32 HB2 SER 32 16.642 1.600 -12.995 446 HB2 SER 32 HB2 SER 32 17.408 2.056 -11.435 447 HB3 SER 32 HB3 SER 32 16.866 2.017 -11.296 448 HB3 SER 32 HB3 SER 32 16.662 2.263 -13.020 449 HG SER 32 HG SER 32 18.927 1.954 -11.635 450 HG SER 32 HG SER 32 14.623 1.890 -11.634 451 H GLN 33 H GLN 33 14.193 0.390 -11.950 452 H GLN 33 H GLN 33 13.948 -0.329 -12.410 453 HA GLN 33 HA GLN 33 13.897 -0.699 -14.587 454 HA GLN 33 HA GLN 33 14.021 -0.339 -15.342 455 HB2 GLN 33 HB2 GLN 33 13.774 -2.591 -12.669 456 HB2 GLN 33 HB2 GLN 33 12.859 -2.436 -15.476 457 HB3 GLN 33 HB3 GLN 33 12.096 -2.068 -12.677 458 HB3 GLN 33 HB3 GLN 33 14.298 -2.668 -14.492 459 HG2 GLN 33 HG2 GLN 33 11.681 -3.199 -14.532 460 HG2 GLN 33 HG2 GLN 33 13.113 -3.276 -12.712 461 HG3 GLN 33 HG3 GLN 33 13.041 -2.446 -15.363 462 HG3 GLN 33 HG3 GLN 33 11.968 -1.950 -12.915 463 HE21 GLN 33 HE21 GLN 33 12.225 -5.011 -13.076 464 HE21 GLN 33 HE21 GLN 33 10.622 -3.855 -12.105 465 HE22 GLN 33 HE22 GLN 33 13.489 -6.085 -13.556 466 HE22 GLN 33 HE22 GLN 33 9.865 -4.816 -13.323 467 H PHE 34 H PHE 34 11.306 -0.942 -14.935 468 H PHE 34 H PHE 34 11.991 -0.004 -16.358 469 HA PHE 34 HA PHE 34 9.984 1.336 -13.650 470 HA PHE 34 HA PHE 34 10.049 1.333 -14.604 471 HB2 PHE 34 HB2 PHE 34 10.694 1.065 -16.511 472 HB2 PHE 34 HB2 PHE 34 10.631 1.651 -17.552 473 HB3 PHE 34 HB3 PHE 34 9.066 1.642 -16.174 474 HB3 PHE 34 HB3 PHE 34 9.260 2.408 -16.749 475 HD1 PHE 34 HD1 PHE 34 12.557 2.471 -16.282 476 HD1 PHE 34 HD1 PHE 34 12.780 2.587 -17.440 477 HD2 PHE 34 HD2 PHE 34 8.774 3.694 -14.761 478 HD2 PHE 34 HD2 PHE 34 9.685 4.067 -14.922 479 HE1 PHE 34 HE1 PHE 34 13.444 4.735 -15.905 480 HE1 PHE 34 HE1 PHE 34 14.210 4.486 -16.805 481 HE2 PHE 34 HE2 PHE 34 9.656 5.960 -14.383 482 HE2 PHE 34 HE2 PHE 34 11.109 5.968 -14.283 483 HZ PHE 34 HZ PHE 34 11.992 6.484 -14.955 484 HZ PHE 34 HZ PHE 34 13.374 6.180 -15.225 485 H GLU 35 H GLU 35 9.533 -1.285 -16.022 486 H GLU 35 H GLU 35 9.602 -1.176 -14.299 487 HA GLU 35 HA GLU 35 6.738 -1.495 -15.623 488 HA GLU 35 HA GLU 35 7.149 -1.675 -15.766 489 HB2 GLU 35 HB2 GLU 35 8.814 -3.249 -16.894 490 HB2 GLU 35 HB2 GLU 35 9.620 -3.191 -16.207 491 HB3 GLU 35 HB3 GLU 35 7.175 -3.844 -16.666 492 HB3 GLU 35 HB3 GLU 35 8.236 -4.200 -15.812 493 HG2 GLU 35 HG2 GLU 35 7.608 -2.883 -18.909 494 HG2 GLU 35 HG2 GLU 35 8.468 -2.242 -18.082 495 HG3 GLU 35 HG3 GLU 35 6.277 -2.120 -18.042 496 HG3 GLU 35 HG3 GLU 35 8.398 -4.000 -18.187 497 H ARG 36 H ARG 36 5.551 -2.658 -14.216 498 H ARG 36 H ARG 36 5.926 -3.523 -14.832 499 HA ARG 36 HA ARG 36 6.495 -3.423 -11.757 500 HA ARG 36 HA ARG 36 5.986 -3.360 -11.968 501 HB2 ARG 36 HB2 ARG 36 4.082 -3.136 -12.483 502 HB2 ARG 36 HB2 ARG 36 3.856 -3.446 -13.143 503 HB3 ARG 36 HB3 ARG 36 4.167 -4.774 -13.118 504 HB3 ARG 36 HB3 ARG 36 4.272 -5.009 -13.832 505 HG2 ARG 36 HG2 ARG 36 4.867 -5.480 -10.780 506 HG2 ARG 36 HG2 ARG 36 2.812 -5.492 -12.075 507 HG3 ARG 36 HG3 ARG 36 4.357 -3.871 -10.264 508 HG3 ARG 36 HG3 ARG 36 4.418 -5.846 -11.433 509 HD2 ARG 36 HD2 ARG 36 2.120 -4.293 -11.153 510 HD2 ARG 36 HD2 ARG 36 4.450 -3.626 -10.363 511 HD3 ARG 36 HD3 ARG 36 2.630 -5.894 -11.686 512 HD3 ARG 36 HD3 ARG 36 2.819 -3.332 -10.964 513 HE ARG 36 HE ARG 36 2.307 -6.642 -9.558 514 HE ARG 36 HE ARG 36 2.552 -5.638 -9.581 515 HH11 ARG 36 HH11 ARG 36 2.674 -3.181 -9.475 516 HH11 ARG 36 HH11 ARG 36 3.918 -2.532 -8.800 517 HH12 ARG 36 HH12 ARG 36 2.327 -3.053 -7.783 518 HH12 ARG 36 HH12 ARG 36 3.536 -2.643 -7.114 519 HH21 ARG 36 HH21 ARG 36 1.847 -6.487 -7.329 520 HH21 ARG 36 HH21 ARG 36 2.047 -5.796 -7.363 521 HH22 ARG 36 HH22 ARG 36 1.857 -4.934 -6.563 522 HH22 ARG 36 HH22 ARG 36 2.473 -4.500 -6.297 523 HA PRO 37 HA PRO 37 8.843 -7.051 -13.007 524 HA PRO 37 HA PRO 37 8.818 -6.817 -11.632 525 HB2 PRO 37 HB2 PRO 37 10.078 -7.357 -10.609 526 HB2 PRO 37 HB2 PRO 37 9.079 -6.653 -8.935 527 HB3 PRO 37 HB3 PRO 37 10.600 -6.173 -11.814 528 HB3 PRO 37 HB3 PRO 37 9.928 -5.576 -10.049 529 HG2 PRO 37 HG2 PRO 37 8.913 -5.774 -9.373 530 HG2 PRO 37 HG2 PRO 37 7.423 -5.089 -8.485 531 HG3 PRO 37 HG3 PRO 37 10.234 -4.768 -9.998 532 HG3 PRO 37 HG3 PRO 37 8.805 -4.010 -8.748 533 HD2 PRO 37 HD2 PRO 37 7.625 -4.150 -10.380 534 HD2 PRO 37 HD2 PRO 37 6.495 -3.787 -10.143 535 HD3 PRO 37 HD3 PRO 37 8.885 -3.750 -11.566 536 HD3 PRO 37 HD3 PRO 37 8.076 -3.382 -10.843 537 H SER 38 H SER 38 6.635 -8.087 -13.032 538 H SER 38 H SER 38 7.320 -8.444 -12.207 539 HA SER 38 HA SER 38 5.946 -9.509 -10.579 540 HA SER 38 HA SER 38 6.210 -9.863 -9.908 541 HB2 SER 38 HB2 SER 38 3.907 -10.162 -11.741 542 HB2 SER 38 HB2 SER 38 4.334 -8.543 -10.772 543 HB3 SER 38 HB3 SER 38 4.152 -8.425 -11.915 544 HB3 SER 38 HB3 SER 38 4.599 -9.200 -12.386 545 HG SER 38 HG SER 38 3.904 -10.261 -13.827 546 HG SER 38 HG SER 38 3.021 -10.194 -10.639 547 H GLY 39 H GLY 39 8.347 -10.374 -11.415 548 H GLY 39 H GLY 39 8.469 -10.681 -10.998 549 HA2 GLY 39 HA2 GLY 39 7.963 -12.752 -13.068 550 HA2 GLY 39 HA2 GLY 39 7.953 -12.562 -13.157 551 HA3 GLY 39 HA3 GLY 39 9.500 -12.118 -12.500 552 HA3 GLY 39 HA3 GLY 39 9.509 -12.231 -12.411 Start of MODEL 20 1 H1 SER 5 H SER 5 0.770 0.849 -0.078 2 H1 SER 5 H SER 5 1.021 1.082 -1.376 3 HA SER 5 HA SER 5 1.330 0.868 -2.542 4 HA SER 5 HA SER 5 2.575 0.247 -2.914 5 HB2 SER 5 HB2 SER 5 2.997 1.291 -0.512 6 HB2 SER 5 HB2 SER 5 4.775 1.024 -2.253 7 HB3 SER 5 HB3 SER 5 3.728 -0.194 -1.118 8 HB3 SER 5 HB3 SER 5 3.565 2.158 -1.650 9 HG SER 5 HG SER 5 4.709 1.304 -2.308 10 HG SER 5 HG SER 5 5.403 0.864 -0.265 11 H LYS 6 H LYS 6 2.139 -2.084 -0.739 12 H LYS 6 H LYS 6 1.541 -2.014 -1.995 13 HA LYS 6 HA LYS 6 2.397 -4.247 -1.389 14 HA LYS 6 HA LYS 6 3.211 -3.748 -0.563 15 HB2 LYS 6 HB2 LYS 6 0.917 -3.552 -3.917 16 HB2 LYS 6 HB2 LYS 6 1.865 -5.558 -1.534 17 HB3 LYS 6 HB3 LYS 6 0.962 -5.092 -3.071 18 HB3 LYS 6 HB3 LYS 6 0.853 -4.237 -0.964 19 HG2 LYS 6 HG2 LYS 6 -0.352 -4.180 -1.261 20 HG2 LYS 6 HG2 LYS 6 0.751 -3.403 -3.315 21 HG3 LYS 6 HG3 LYS 6 -0.324 -2.584 -2.012 22 HG3 LYS 6 HG3 LYS 6 1.587 -4.877 -3.810 23 HD2 LYS 6 HD2 LYS 6 -2.332 -3.267 -2.812 24 HD2 LYS 6 HD2 LYS 6 -0.789 -5.168 -4.115 25 HD3 LYS 6 HD3 LYS 6 -1.318 -4.007 -4.053 26 HD3 LYS 6 HD3 LYS 6 -0.241 -6.204 -2.795 27 HE2 LYS 6 HE2 LYS 6 -2.120 -5.453 -1.541 28 HE2 LYS 6 HE2 LYS 6 -1.268 -4.911 -1.181 29 HE3 LYS 6 HE3 LYS 6 -3.107 -5.476 -3.003 30 HE3 LYS 6 HE3 LYS 6 -1.273 -3.467 -2.192 31 HZ1 LYS 6 HZ1 LYS 6 -0.759 -6.148 -4.019 32 HZ1 LYS 6 HZ1 LYS 6 -2.901 -5.834 -2.883 33 HZ2 LYS 6 HZ2 LYS 6 -0.559 -6.775 -2.461 34 HZ2 LYS 6 HZ2 LYS 6 -3.474 -4.655 -1.813 35 HZ3 LYS 6 HZ3 LYS 6 -1.855 -7.289 -3.420 36 HZ3 LYS 6 HZ3 LYS 6 -3.087 -4.236 -3.405 37 H LEU 7 H LEU 7 4.578 -4.371 -1.708 38 H LEU 7 H LEU 7 5.101 -4.626 -1.065 39 HA LEU 7 HA LEU 7 5.457 -4.499 -4.473 40 HA LEU 7 HA LEU 7 5.688 -5.417 -3.794 41 HB2 LEU 7 HB2 LEU 7 6.112 -2.308 -2.719 42 HB2 LEU 7 HB2 LEU 7 7.510 -3.528 -2.313 43 HB3 LEU 7 HB3 LEU 7 7.565 -3.182 -3.196 44 HB3 LEU 7 HB3 LEU 7 7.785 -4.214 -3.912 45 HG LEU 7 HG LEU 7 6.684 -2.893 -5.603 46 HG LEU 7 HG LEU 7 5.514 -2.342 -3.257 47 HD11 LEU 7 HD11 LEU 7 5.459 -0.487 -5.459 48 HD11 LEU 7 HD11 LEU 7 8.265 -1.781 -4.339 49 HD12 LEU 7 HD12 LEU 7 4.613 -2.024 -5.642 50 HD12 LEU 7 HD12 LEU 7 6.906 -0.673 -4.519 51 HD13 LEU 7 HD13 LEU 7 4.776 -1.291 -4.046 52 HD13 LEU 7 HD13 LEU 7 7.497 -1.089 -2.911 53 HD21 LEU 7 HD21 LEU 7 7.892 -0.799 -3.848 54 HD21 LEU 7 HD21 LEU 7 4.983 -2.374 -5.475 55 HD22 LEU 7 HD22 LEU 7 8.636 -1.758 -5.127 56 HD22 LEU 7 HD22 LEU 7 6.629 -2.759 -5.980 57 HD23 LEU 7 HD23 LEU 7 7.542 -0.438 -5.538 58 HD23 LEU 7 HD23 LEU 7 5.598 -4.018 -5.301 59 HA PRO 8 HA PRO 8 7.855 -7.874 -3.019 60 HA PRO 8 HA PRO 8 7.783 -8.714 -1.789 61 HB2 PRO 8 HB2 PRO 8 9.985 -7.791 -4.699 62 HB2 PRO 8 HB2 PRO 8 9.644 -9.352 -3.659 63 HB3 PRO 8 HB3 PRO 8 8.375 -8.305 -5.216 64 HB3 PRO 8 HB3 PRO 8 7.924 -9.713 -3.853 65 HG2 PRO 8 HG2 PRO 8 9.715 -5.650 -5.555 66 HG2 PRO 8 HG2 PRO 8 9.523 -7.449 -4.985 67 HG3 PRO 8 HG3 PRO 8 8.749 -6.572 -6.721 68 HG3 PRO 8 HG3 PRO 8 8.292 -8.453 -5.773 69 HD2 PRO 8 HD2 PRO 8 7.740 -4.486 -5.321 70 HD2 PRO 8 HD2 PRO 8 7.763 -5.970 -4.832 71 HD3 PRO 8 HD3 PRO 8 6.750 -5.878 -5.806 72 HD3 PRO 8 HD3 PRO 8 6.548 -7.265 -4.845 73 HA PRO 9 HA PRO 9 10.898 -6.481 -0.158 74 HA PRO 9 HA PRO 9 11.509 -7.479 0.195 75 HB2 PRO 9 HB2 PRO 9 12.342 -8.756 0.170 76 HB2 PRO 9 HB2 PRO 9 13.021 -9.734 0.214 77 HB3 PRO 9 HB3 PRO 9 10.718 -8.544 0.836 78 HB3 PRO 9 HB3 PRO 9 11.579 -9.535 1.217 79 HG2 PRO 9 HG2 PRO 9 11.573 -9.965 -1.657 80 HG2 PRO 9 HG2 PRO 9 11.888 -10.968 -1.393 81 HG3 PRO 9 HG3 PRO 9 10.388 -10.463 -0.435 82 HG3 PRO 9 HG3 PRO 9 11.006 -11.470 0.061 83 HD2 PRO 9 HD2 PRO 9 9.666 -9.362 -2.801 84 HD2 PRO 9 HD2 PRO 9 9.769 -10.397 -2.096 85 HD3 PRO 9 HD3 PRO 9 8.734 -9.119 -1.309 86 HD3 PRO 9 HD3 PRO 9 9.181 -10.153 -0.439 87 H GLY 10 H GLY 10 12.556 -5.173 -0.589 88 H GLY 10 H GLY 10 12.913 -6.097 -0.691 89 HA2 GLY 10 HA2 GLY 10 14.929 -5.010 -1.082 90 HA2 GLY 10 HA2 GLY 10 15.067 -5.741 -1.677 91 HA3 GLY 10 HA3 GLY 10 14.676 -6.156 -2.391 92 HA3 GLY 10 HA3 GLY 10 14.776 -7.123 -2.724 93 H TRP 11 H TRP 11 12.175 -4.774 -3.206 94 H TRP 11 H TRP 11 12.486 -4.524 -2.107 95 HA TRP 11 HA TRP 11 13.459 -2.754 -4.858 96 HA TRP 11 HA TRP 11 13.051 -3.304 -4.688 97 HB2 TRP 11 HB2 TRP 11 10.750 -4.076 -4.933 98 HB2 TRP 11 HB2 TRP 11 10.428 -4.644 -4.023 99 HB3 TRP 11 HB3 TRP 11 11.161 -2.717 -5.974 100 HB3 TRP 11 HB3 TRP 11 10.596 -3.450 -5.306 101 HD1 TRP 11 HD1 TRP 11 11.668 -6.439 -5.595 102 HD1 TRP 11 HD1 TRP 11 11.388 -7.072 -4.463 103 HE1 TRP 11 HE1 TRP 11 12.961 -7.336 -7.631 104 HE1 TRP 11 HE1 TRP 11 12.205 -8.267 -6.592 105 HE3 TRP 11 HE3 TRP 11 13.018 -1.991 -7.721 106 HE3 TRP 11 HE3 TRP 11 11.842 -3.019 -7.546 107 HZ2 TRP 11 HZ2 TRP 11 14.368 -6.295 -9.847 108 HZ2 TRP 11 HZ2 TRP 11 12.944 -7.581 -9.228 109 HZ3 TRP 11 HZ3 TRP 11 14.337 -2.028 -9.797 110 HZ3 TRP 11 HZ3 TRP 11 12.610 -3.375 -9.856 111 HH2 TRP 11 HH2 TRP 11 14.999 -4.137 -10.837 112 HH2 TRP 11 HH2 TRP 11 13.150 -5.610 -10.678 113 H GLU 12 H GLU 12 13.040 -0.598 -4.805 114 H GLU 12 H GLU 12 12.170 -1.214 -4.930 115 HA GLU 12 HA GLU 12 11.150 0.343 -2.749 116 HA GLU 12 HA GLU 12 10.545 -0.066 -2.848 117 HB2 GLU 12 HB2 GLU 12 13.863 1.447 -3.485 118 HB2 GLU 12 HB2 GLU 12 12.704 0.032 -1.746 119 HB3 GLU 12 HB3 GLU 12 12.699 2.318 -2.497 120 HB3 GLU 12 HB3 GLU 12 13.428 0.782 -3.161 121 HG2 GLU 12 HG2 GLU 12 13.430 -0.436 -1.676 122 HG2 GLU 12 HG2 GLU 12 11.826 2.694 -2.827 123 HG3 GLU 12 HG3 GLU 12 14.615 0.846 -1.439 124 HG3 GLU 12 HG3 GLU 12 11.416 1.968 -1.274 125 H LYS 13 H LYS 13 9.700 1.845 -3.344 126 H LYS 13 H LYS 13 9.192 1.231 -3.875 127 HA LYS 13 HA LYS 13 9.719 2.698 -6.140 128 HA LYS 13 HA LYS 13 9.737 2.171 -6.533 129 HB2 LYS 13 HB2 LYS 13 7.691 1.613 -5.162 130 HB2 LYS 13 HB2 LYS 13 7.481 1.445 -5.802 131 HB3 LYS 13 HB3 LYS 13 7.525 2.989 -4.081 132 HB3 LYS 13 HB3 LYS 13 7.417 2.819 -4.706 133 HG2 LYS 13 HG2 LYS 13 7.695 4.176 -6.549 134 HG2 LYS 13 HG2 LYS 13 7.750 4.277 -6.762 135 HG3 LYS 13 HG3 LYS 13 6.776 2.705 -6.877 136 HG3 LYS 13 HG3 LYS 13 7.402 2.826 -7.706 137 HD2 LYS 13 HD2 LYS 13 5.520 3.491 -4.657 138 HD2 LYS 13 HD2 LYS 13 5.238 3.298 -7.487 139 HD3 LYS 13 HD3 LYS 13 6.068 5.068 -5.231 140 HD3 LYS 13 HD3 LYS 13 5.395 2.941 -5.765 141 HE2 LYS 13 HE2 LYS 13 4.772 4.981 -7.121 142 HE2 LYS 13 HE2 LYS 13 6.061 5.646 -6.886 143 HE3 LYS 13 HE3 LYS 13 4.771 3.219 -7.171 144 HE3 LYS 13 HE3 LYS 13 4.412 5.212 -6.439 145 HZ1 LYS 13 HZ1 LYS 13 3.030 5.039 -5.694 146 HZ1 LYS 13 HZ1 LYS 13 5.633 6.358 -4.656 147 HZ2 LYS 13 HZ2 LYS 13 2.666 3.570 -6.452 148 HZ2 LYS 13 HZ2 LYS 13 5.120 4.813 -4.197 149 HZ3 LYS 13 HZ3 LYS 13 3.429 3.578 -4.941 150 HZ3 LYS 13 HZ3 LYS 13 6.740 5.081 -4.602 151 H ARG 14 H ARG 14 10.358 4.667 -6.695 152 H ARG 14 H ARG 14 10.530 4.083 -7.139 153 HA ARG 14 HA ARG 14 10.036 6.866 -4.777 154 HA ARG 14 HA ARG 14 10.663 6.235 -5.130 155 HB2 ARG 14 HB2 ARG 14 12.530 6.373 -6.413 156 HB2 ARG 14 HB2 ARG 14 12.767 5.150 -6.951 157 HB3 ARG 14 HB3 ARG 14 12.254 7.727 -5.325 158 HB3 ARG 14 HB3 ARG 14 12.786 6.867 -6.573 159 HG2 ARG 14 HG2 ARG 14 11.986 5.026 -4.162 160 HG2 ARG 14 HG2 ARG 14 12.447 5.546 -4.125 161 HG3 ARG 14 HG3 ARG 14 13.610 5.535 -4.629 162 HG3 ARG 14 HG3 ARG 14 13.688 4.650 -5.002 163 HD2 ARG 14 HD2 ARG 14 11.734 7.026 -2.797 164 HD2 ARG 14 HD2 ARG 14 15.156 6.213 -4.423 165 HD3 ARG 14 HD3 ARG 14 13.150 6.097 -2.301 166 HD3 ARG 14 HD3 ARG 14 14.256 7.368 -5.405 167 HE ARG 14 HE ARG 14 14.150 7.912 -4.055 168 HE ARG 14 HE ARG 14 14.231 7.133 -2.525 169 HH11 ARG 14 HH11 ARG 14 12.197 8.140 -1.182 170 HH11 ARG 14 HH11 ARG 14 12.628 8.377 -5.355 171 HH12 ARG 14 HH12 ARG 14 12.803 9.701 -0.737 172 HH12 ARG 14 HH12 ARG 14 11.777 9.613 -4.489 173 HH21 ARG 14 HH21 ARG 14 14.956 9.966 -3.479 174 HH21 ARG 14 HH21 ARG 14 13.116 8.757 -1.375 175 HH22 ARG 14 HH22 ARG 14 14.371 10.739 -2.044 176 HH22 ARG 14 HH22 ARG 14 12.057 9.829 -2.225 177 H MET 15 H MET 15 10.376 9.030 -5.874 178 H MET 15 H MET 15 10.876 8.421 -6.077 179 HA MET 15 HA MET 15 9.240 8.925 -8.590 180 HA MET 15 HA MET 15 9.578 8.615 -8.713 181 HB2 MET 15 HB2 MET 15 7.911 9.913 -6.554 182 HB2 MET 15 HB2 MET 15 8.937 10.105 -6.175 183 HB3 MET 15 HB3 MET 15 8.939 11.317 -6.815 184 HB3 MET 15 HB3 MET 15 8.472 10.719 -7.756 185 HG2 MET 15 HG2 MET 15 7.413 11.990 -8.275 186 HG2 MET 15 HG2 MET 15 7.710 7.945 -7.373 187 HG3 MET 15 HG3 MET 15 8.031 10.731 -9.342 188 HG3 MET 15 HG3 MET 15 7.009 9.018 -6.165 189 HE1 MET 15 HE1 MET 15 3.861 11.215 -8.190 190 HE1 MET 15 HE1 MET 15 4.315 10.790 -7.676 191 HE2 MET 15 HE2 MET 15 4.975 11.746 -6.930 192 HE2 MET 15 HE2 MET 15 5.482 10.604 -6.368 193 HE3 MET 15 HE3 MET 15 5.165 12.336 -8.581 194 HE3 MET 15 HE3 MET 15 5.798 11.745 -7.674 195 H SER 16 H SER 16 10.194 10.068 -10.194 196 H SER 16 H SER 16 10.267 10.243 -10.058 197 HA SER 16 HA SER 16 12.861 10.757 -10.084 198 HA SER 16 HA SER 16 12.900 11.163 -9.767 199 HB2 SER 16 HB2 SER 16 11.264 10.471 -12.125 200 HB2 SER 16 HB2 SER 16 11.003 12.636 -11.544 201 HB3 SER 16 HB3 SER 16 11.006 12.206 -11.951 202 HB3 SER 16 HB3 SER 16 12.653 12.102 -11.862 203 HG SER 16 HG SER 16 12.793 12.405 -13.023 204 HG SER 16 HG SER 16 11.936 10.193 -12.467 205 H ARG 17 H ARG 17 13.734 13.018 -10.615 206 H ARG 17 H ARG 17 12.880 13.830 -10.525 207 HA ARG 17 HA ARG 17 13.530 14.661 -8.422 208 HA ARG 17 HA ARG 17 12.225 15.087 -7.976 209 HB2 ARG 17 HB2 ARG 17 15.365 14.872 -9.979 210 HB2 ARG 17 HB2 ARG 17 13.760 16.232 -10.315 211 HB3 ARG 17 HB3 ARG 17 14.274 15.378 -11.261 212 HB3 ARG 17 HB3 ARG 17 13.670 16.895 -8.689 213 HG2 ARG 17 HG2 ARG 17 13.902 17.150 -9.091 214 HG2 ARG 17 HG2 ARG 17 15.695 15.862 -8.585 215 HG3 ARG 17 HG3 ARG 17 15.638 16.972 -9.347 216 HG3 ARG 17 HG3 ARG 17 14.656 14.547 -8.032 217 HD2 ARG 17 HD2 ARG 17 13.633 17.632 -11.500 218 HD2 ARG 17 HD2 ARG 17 15.300 13.275 -9.735 219 HD3 ARG 17 HD3 ARG 17 14.639 18.814 -10.664 220 HD3 ARG 17 HD3 ARG 17 14.788 14.509 -10.886 221 HE ARG 17 HE ARG 17 15.421 17.142 -12.820 222 HE ARG 17 HE ARG 17 17.475 13.989 -9.968 223 HH11 ARG 17 HH11 ARG 17 16.588 18.587 -9.875 224 HH11 ARG 17 HH11 ARG 17 15.316 16.271 -11.469 225 HH12 ARG 17 HH12 ARG 17 18.241 18.618 -10.392 226 HH12 ARG 17 HH12 ARG 17 16.585 17.158 -12.246 227 HH21 ARG 17 HH21 ARG 17 17.595 17.179 -13.512 228 HH21 ARG 17 HH21 ARG 17 19.154 15.148 -10.987 229 HH22 ARG 17 HH22 ARG 17 18.812 17.818 -12.462 230 HH22 ARG 17 HH22 ARG 17 18.767 16.518 -11.972 231 H ASN 18 H ASN 18 12.481 15.976 -11.532 232 H ASN 18 H ASN 18 12.259 16.593 -11.176 233 HA ASN 18 HA ASN 18 9.974 16.852 -10.269 234 HA ASN 18 HA ASN 18 9.747 17.922 -10.543 235 HB2 ASN 18 HB2 ASN 18 10.203 19.055 -11.040 236 HB2 ASN 18 HB2 ASN 18 11.271 18.356 -13.089 237 HB3 ASN 18 HB3 ASN 18 11.817 18.652 -10.462 238 HB3 ASN 18 HB3 ASN 18 10.290 19.496 -12.173 239 HD21 ASN 18 HD21 ASN 18 11.045 20.657 -12.385 240 HD21 ASN 18 HD21 ASN 18 13.329 18.838 -13.044 241 HD22 ASN 18 HD22 ASN 18 11.861 20.271 -13.857 242 HD22 ASN 18 HD22 ASN 18 14.192 19.520 -11.711 243 H SER 19 H SER 19 10.629 14.646 -12.118 244 H SER 19 H SER 19 11.009 15.450 -12.634 245 HA SER 19 HA SER 19 9.113 15.501 -14.492 246 HA SER 19 HA SER 19 8.780 15.410 -14.432 247 HB2 SER 19 HB2 SER 19 10.184 13.824 -15.742 248 HB2 SER 19 HB2 SER 19 9.807 13.105 -15.022 249 HB3 SER 19 HB3 SER 19 11.466 14.447 -14.703 250 HB3 SER 19 HB3 SER 19 10.753 14.553 -15.369 251 HG SER 19 HG SER 19 11.512 12.222 -14.601 252 HG SER 19 HG SER 19 12.208 13.864 -14.029 253 H GLY 20 H GLY 20 8.484 14.259 -11.612 254 H GLY 20 H GLY 20 9.570 13.903 -11.394 255 HA2 GLY 20 HA2 GLY 20 6.941 12.790 -10.731 256 HA2 GLY 20 HA2 GLY 20 8.348 12.566 -9.986 257 HA3 GLY 20 HA3 GLY 20 5.961 13.337 -12.083 258 HA3 GLY 20 HA3 GLY 20 6.929 13.158 -10.835 259 H ARG 21 H ARG 21 8.946 11.545 -12.470 260 H ARG 21 H ARG 21 9.203 11.641 -12.853 261 HA ARG 21 HA ARG 21 7.405 9.376 -13.701 262 HA ARG 21 HA ARG 21 7.458 9.658 -13.729 263 HB2 ARG 21 HB2 ARG 21 10.286 10.231 -13.949 264 HB2 ARG 21 HB2 ARG 21 9.924 10.585 -14.509 265 HB3 ARG 21 HB3 ARG 21 9.698 8.703 -14.590 266 HB3 ARG 21 HB3 ARG 21 10.294 8.954 -13.964 267 HG2 ARG 21 HG2 ARG 21 7.914 10.598 -15.561 268 HG2 ARG 21 HG2 ARG 21 9.423 8.062 -15.798 269 HG3 ARG 21 HG3 ARG 21 9.500 11.362 -15.688 270 HG3 ARG 21 HG3 ARG 21 7.929 8.986 -15.616 271 HD2 ARG 21 HD2 ARG 21 8.574 8.767 -16.889 272 HD2 ARG 21 HD2 ARG 21 9.123 9.450 -17.737 273 HD3 ARG 21 HD3 ARG 21 9.169 10.204 -17.719 274 HD3 ARG 21 HD3 ARG 21 8.903 10.880 -16.730 275 HE ARG 21 HE ARG 21 11.291 9.481 -16.243 276 HE ARG 21 HE ARG 21 11.170 11.071 -16.609 277 HH11 ARG 21 HH11 ARG 21 9.202 7.683 -18.370 278 HH11 ARG 21 HH11 ARG 21 10.378 7.798 -17.495 279 HH12 ARG 21 HH12 ARG 21 10.434 6.558 -18.840 280 HH12 ARG 21 HH12 ARG 21 12.027 7.327 -17.739 281 HH21 ARG 21 HH21 ARG 21 12.921 8.007 -16.856 282 HH21 ARG 21 HH21 ARG 21 13.345 10.462 -16.928 283 HH22 ARG 21 HH22 ARG 21 12.548 6.743 -17.978 284 HH22 ARG 21 HH22 ARG 21 13.714 8.843 -17.417 285 H VAL 22 H VAL 22 6.852 7.947 -12.152 286 H VAL 22 H VAL 22 6.793 7.820 -12.845 287 HA VAL 22 HA VAL 22 8.652 7.251 -10.007 288 HA VAL 22 HA VAL 22 7.935 6.874 -10.382 289 HB VAL 22 HB VAL 22 5.893 7.126 -10.352 290 HB VAL 22 HB VAL 22 5.731 5.709 -12.090 291 HG11 VAL 22 HG11 VAL 22 5.266 4.831 -10.039 292 HG11 VAL 22 HG11 VAL 22 5.462 4.883 -9.428 293 HG12 VAL 22 HG12 VAL 22 6.239 4.950 -11.505 294 HG12 VAL 22 HG12 VAL 22 5.888 3.891 -10.822 295 HG13 VAL 22 HG13 VAL 22 6.956 4.325 -10.019 296 HG13 VAL 22 HG13 VAL 22 7.156 4.627 -9.842 297 HG21 VAL 22 HG21 VAL 22 7.143 7.565 -8.276 298 HG21 VAL 22 HG21 VAL 22 4.206 6.879 -10.830 299 HG22 VAL 22 HG22 VAL 22 5.875 6.359 -8.052 300 HG22 VAL 22 HG22 VAL 22 5.301 7.040 -9.457 301 HG23 VAL 22 HG23 VAL 22 7.559 5.853 -8.184 302 HG23 VAL 22 HG23 VAL 22 5.536 8.036 -10.894 303 H TYR 23 H TYR 23 9.372 5.081 -9.568 304 H TYR 23 H TYR 23 9.546 5.475 -10.200 305 HA TYR 23 HA TYR 23 9.256 3.055 -11.579 306 HA TYR 23 HA TYR 23 9.902 3.418 -12.261 307 HB2 TYR 23 HB2 TYR 23 11.618 3.021 -12.181 308 HB2 TYR 23 HB2 TYR 23 12.302 3.792 -12.339 309 HB3 TYR 23 HB3 TYR 23 10.907 4.571 -12.614 310 HB3 TYR 23 HB3 TYR 23 11.458 5.276 -12.767 311 HD1 TYR 23 HD1 TYR 23 13.588 2.964 -10.952 312 HD1 TYR 23 HD1 TYR 23 13.721 3.684 -10.430 313 HD2 TYR 23 HD2 TYR 23 11.209 6.490 -10.880 314 HD2 TYR 23 HD2 TYR 23 11.346 7.144 -11.127 315 HE1 TYR 23 HE1 TYR 23 15.346 4.117 -9.678 316 HE1 TYR 23 HE1 TYR 23 14.982 4.890 -8.698 317 HE2 TYR 23 HE2 TYR 23 12.962 7.654 -9.605 318 HE2 TYR 23 HE2 TYR 23 12.602 8.362 -9.398 319 HH TYR 23 HH TYR 23 14.964 6.695 -7.936 320 HH TYR 23 HH TYR 23 15.327 6.852 -7.700 321 H TYR 24 H TYR 24 11.164 1.373 -11.004 322 H TYR 24 H TYR 24 11.754 1.870 -11.462 323 HA TYR 24 HA TYR 24 11.002 1.010 -8.086 324 HA TYR 24 HA TYR 24 11.322 1.357 -8.592 325 HB2 TYR 24 HB2 TYR 24 11.189 -1.054 -10.288 326 HB2 TYR 24 HB2 TYR 24 11.298 -0.549 -10.920 327 HB3 TYR 24 HB3 TYR 24 11.246 -1.425 -8.569 328 HB3 TYR 24 HB3 TYR 24 11.638 -1.111 -9.287 329 HD1 TYR 24 HD1 TYR 24 9.281 -2.061 -7.541 330 HD1 TYR 24 HD1 TYR 24 9.092 -0.304 -11.649 331 HD2 TYR 24 HD2 TYR 24 9.074 0.399 -11.007 332 HD2 TYR 24 HD2 TYR 24 9.885 -0.604 -7.480 333 HE1 TYR 24 HE1 TYR 24 6.826 -2.197 -7.484 334 HE1 TYR 24 HE1 TYR 24 6.677 -0.458 -11.207 335 HE2 TYR 24 HE2 TYR 24 6.619 0.270 -10.959 336 HE2 TYR 24 HE2 TYR 24 7.472 -0.760 -7.027 337 HH TYR 24 HH TYR 24 4.829 -0.232 -9.537 338 HH TYR 24 HH TYR 24 5.426 -1.321 -8.120 339 H PHE 25 H PHE 25 12.820 0.635 -6.927 340 H PHE 25 H PHE 25 13.077 0.912 -7.376 341 HA PHE 25 HA PHE 25 15.350 0.318 -8.390 342 HA PHE 25 HA PHE 25 15.654 0.596 -8.767 343 HB2 PHE 25 HB2 PHE 25 14.772 2.711 -7.460 344 HB2 PHE 25 HB2 PHE 25 15.486 2.856 -7.844 345 HB3 PHE 25 HB3 PHE 25 15.268 2.010 -5.924 346 HB3 PHE 25 HB3 PHE 25 15.107 2.195 -6.257 347 HD1 PHE 25 HD1 PHE 25 16.430 2.457 -9.428 348 HD1 PHE 25 HD1 PHE 25 17.750 2.220 -8.866 349 HD2 PHE 25 HD2 PHE 25 17.502 2.005 -5.334 350 HD2 PHE 25 HD2 PHE 25 16.804 1.740 -4.744 351 HE1 PHE 25 HE1 PHE 25 18.785 2.885 -10.001 352 HE1 PHE 25 HE1 PHE 25 20.149 2.153 -8.327 353 HE2 PHE 25 HE2 PHE 25 19.857 2.433 -5.899 354 HE2 PHE 25 HE2 PHE 25 19.202 1.673 -4.199 355 HZ PHE 25 HZ PHE 25 20.502 2.875 -8.235 356 HZ PHE 25 HZ PHE 25 20.879 1.880 -5.991 357 H ASN 26 H ASN 26 16.275 -1.511 -7.774 358 H ASN 26 H ASN 26 17.205 -0.718 -7.769 359 HA ASN 26 HA ASN 26 15.616 -2.690 -5.199 360 HA ASN 26 HA ASN 26 16.177 -2.404 -5.582 361 HB2 ASN 26 HB2 ASN 26 15.685 -3.987 -7.395 362 HB2 ASN 26 HB2 ASN 26 16.435 -3.406 -7.983 363 HB3 ASN 26 HB3 ASN 26 17.439 -3.856 -7.300 364 HB3 ASN 26 HB3 ASN 26 18.152 -3.430 -7.594 365 HD21 ASN 26 HD21 ASN 26 15.628 -6.187 -7.187 366 HD21 ASN 26 HD21 ASN 26 15.248 -5.068 -7.369 367 HD22 ASN 26 HD22 ASN 26 16.032 -7.007 -5.722 368 HD22 ASN 26 HD22 ASN 26 15.715 -6.273 -6.223 369 H HIS 27 H HIS 27 16.798 -2.262 -3.467 370 H HIS 27 H HIS 27 17.849 -3.414 -4.238 371 HA HIS 27 HA HIS 27 19.373 -1.023 -3.648 372 HA HIS 27 HA HIS 27 20.334 -1.839 -4.137 373 HB2 HIS 27 HB2 HIS 27 19.265 -0.777 -1.317 374 HB2 HIS 27 HB2 HIS 27 20.090 -2.281 -1.560 375 HB3 HIS 27 HB3 HIS 27 17.582 -0.688 -1.826 376 HB3 HIS 27 HB3 HIS 27 19.239 -0.935 -2.313 377 HD1 HIS 27 HD1 HIS 27 16.023 -2.599 -1.106 378 HD1 HIS 27 HD1 HIS 27 18.697 -4.058 -0.447 379 HD2 HIS 27 HD2 HIS 27 19.953 -3.072 0.158 380 HD2 HIS 27 HD2 HIS 27 16.424 -1.396 -2.685 381 HE1 HIS 27 HE1 HIS 27 15.966 -4.463 0.581 382 HE1 HIS 27 HE1 HIS 27 16.301 -4.584 0.112 383 H ILE 28 H ILE 28 18.271 -4.239 -3.600 384 H ILE 28 H ILE 28 19.704 -4.506 -5.254 385 HA ILE 28 HA ILE 28 20.702 -5.344 -2.468 386 HA ILE 28 HA ILE 28 21.539 -6.103 -3.588 387 HB ILE 28 HB ILE 28 18.292 -6.680 -3.702 388 HB ILE 28 HB ILE 28 19.331 -7.151 -5.363 389 HG12 ILE 28 HG12 ILE 28 19.232 -6.335 -0.850 390 HG12 ILE 28 HG12 ILE 28 19.554 -6.747 -2.392 391 HG13 ILE 28 HG13 ILE 28 17.773 -5.669 -1.577 392 HG13 ILE 28 HG13 ILE 28 18.243 -6.283 -3.472 393 HG21 ILE 28 HG21 ILE 28 20.291 -8.032 -4.055 394 HG21 ILE 28 HG21 ILE 28 19.913 -9.329 -4.588 395 HG22 ILE 28 HG22 ILE 28 20.670 -7.933 -2.335 396 HG22 ILE 28 HG22 ILE 28 21.388 -8.564 -5.179 397 HG23 ILE 28 HG23 ILE 28 19.221 -8.782 -2.871 398 HG23 ILE 28 HG23 ILE 28 21.084 -8.672 -3.446 399 HD11 ILE 28 HD11 ILE 28 18.359 -8.555 -0.979 400 HD11 ILE 28 HD11 ILE 28 17.494 -8.104 -2.148 401 HD12 ILE 28 HD12 ILE 28 17.157 -7.517 -0.212 402 HD12 ILE 28 HD12 ILE 28 17.755 -8.709 -3.783 403 HD13 ILE 28 HD13 ILE 28 16.960 -7.998 -1.898 404 HD13 ILE 28 HD13 ILE 28 18.939 -9.045 -2.520 405 H THR 29 H THR 29 19.016 -5.589 -5.603 406 H THR 29 H THR 29 20.461 -5.380 -6.879 407 HA THR 29 HA THR 29 21.389 -6.652 -6.869 408 HA THR 29 HA THR 29 23.120 -6.201 -7.841 409 HB THR 29 HB THR 29 19.935 -6.477 -8.969 410 HB THR 29 HB THR 29 22.217 -7.129 -9.837 411 HG1 THR 29 HG1 THR 29 17.799 -6.009 -8.677 412 HG1 THR 29 HG1 THR 29 19.844 -5.862 -8.985 413 HG21 THR 29 HG21 THR 29 20.149 -8.619 -8.063 414 HG21 THR 29 HG21 THR 29 20.565 -8.012 -7.467 415 HG22 THR 29 HG22 THR 29 19.282 -8.186 -6.590 416 HG22 THR 29 HG22 THR 29 20.701 -8.902 -8.983 417 HG23 THR 29 HG23 THR 29 18.403 -8.369 -8.108 418 HG23 THR 29 HG23 THR 29 22.126 -8.663 -7.971 419 H ASN 30 H ASN 30 20.102 -3.582 -6.236 420 H ASN 30 H ASN 30 21.944 -3.568 -7.075 421 HA ASN 30 HA ASN 30 20.731 -1.478 -6.826 422 HA ASN 30 HA ASN 30 21.536 -1.466 -7.969 423 HB2 ASN 30 HB2 ASN 30 23.052 -2.840 -6.689 424 HB2 ASN 30 HB2 ASN 30 24.196 -2.288 -8.057 425 HB3 ASN 30 HB3 ASN 30 23.089 -2.372 -8.386 426 HB3 ASN 30 HB3 ASN 30 23.922 -1.550 -9.632 427 HD21 ASN 30 HD21 ASN 30 21.818 0.086 -8.234 428 HD21 ASN 30 HD21 ASN 30 22.004 0.351 -8.840 429 HD22 ASN 30 HD22 ASN 30 22.828 1.184 -7.363 430 HD22 ASN 30 HD22 ASN 30 22.799 1.540 -7.871 431 H ALA 31 H ALA 31 19.368 -3.481 -8.761 432 H ALA 31 H ALA 31 19.703 -1.907 -9.287 433 HA ALA 31 HA ALA 31 19.936 -2.223 -11.325 434 HA ALA 31 HA ALA 31 20.183 -1.361 -12.080 435 HB1 ALA 31 HB1 ALA 31 18.399 -3.888 -12.251 436 HB1 ALA 31 HB1 ALA 31 20.385 -3.795 -12.046 437 HB2 ALA 31 HB2 ALA 31 19.655 -4.641 -11.269 438 HB2 ALA 31 HB2 ALA 31 18.794 -3.921 -11.296 439 HB3 ALA 31 HB3 ALA 31 18.027 -4.450 -10.621 440 HB3 ALA 31 HB3 ALA 31 18.950 -3.285 -12.935 441 H SER 32 H SER 32 18.259 -1.288 -12.631 442 H SER 32 H SER 32 18.705 0.061 -12.712 443 HA SER 32 HA SER 32 16.046 -0.156 -11.047 444 HA SER 32 HA SER 32 16.234 0.306 -11.153 445 HB2 SER 32 HB2 SER 32 16.270 1.927 -12.190 446 HB2 SER 32 HB2 SER 32 16.784 2.370 -13.170 447 HB3 SER 32 HB3 SER 32 17.894 1.469 -11.679 448 HB3 SER 32 HB3 SER 32 16.366 2.543 -11.465 449 HG SER 32 HG SER 32 16.934 1.870 -14.172 450 HG SER 32 HG SER 32 18.560 2.020 -10.983 451 H GLN 33 H GLN 33 14.044 0.028 -12.025 452 H GLN 33 H GLN 33 14.209 0.368 -12.118 453 HA GLN 33 HA GLN 33 13.712 -0.784 -14.791 454 HA GLN 33 HA GLN 33 14.002 -0.093 -14.985 455 HB2 GLN 33 HB2 GLN 33 13.684 -2.823 -13.112 456 HB2 GLN 33 HB2 GLN 33 12.762 -2.116 -14.819 457 HB3 GLN 33 HB3 GLN 33 12.043 -2.267 -12.807 458 HB3 GLN 33 HB3 GLN 33 14.215 -2.335 -13.852 459 HG2 GLN 33 HG2 GLN 33 11.391 -2.641 -15.036 460 HG2 GLN 33 HG2 GLN 33 13.043 -2.173 -11.840 461 HG3 GLN 33 HG3 GLN 33 13.059 -2.825 -15.573 462 HG3 GLN 33 HG3 GLN 33 11.635 -1.451 -12.616 463 HE21 GLN 33 HE21 GLN 33 10.319 -4.362 -14.202 464 HE21 GLN 33 HE21 GLN 33 10.884 -3.343 -11.110 465 HE22 GLN 33 HE22 GLN 33 10.975 -5.957 -14.120 466 HE22 GLN 33 HE22 GLN 33 10.594 -4.835 -11.932 467 H PHE 34 H PHE 34 12.182 0.417 -15.704 468 H PHE 34 H PHE 34 11.300 -0.846 -15.008 469 HA PHE 34 HA PHE 34 10.441 2.010 -13.990 470 HA PHE 34 HA PHE 34 9.882 1.246 -13.548 471 HB2 PHE 34 HB2 PHE 34 11.309 2.184 -16.853 472 HB2 PHE 34 HB2 PHE 34 10.095 1.056 -16.540 473 HB3 PHE 34 HB3 PHE 34 9.853 3.025 -16.333 474 HB3 PHE 34 HB3 PHE 34 8.677 1.777 -15.784 475 HD1 PHE 34 HD1 PHE 34 13.483 2.699 -15.676 476 HD1 PHE 34 HD1 PHE 34 12.375 2.026 -15.952 477 HD2 PHE 34 HD2 PHE 34 9.984 5.081 -15.231 478 HD2 PHE 34 HD2 PHE 34 8.701 4.001 -15.103 479 HE1 PHE 34 HE1 PHE 34 14.861 4.566 -14.857 480 HE1 PHE 34 HE1 PHE 34 13.574 4.166 -15.758 481 HE2 PHE 34 HE2 PHE 34 11.356 6.952 -14.413 482 HE2 PHE 34 HE2 PHE 34 9.895 6.143 -14.909 483 HZ PHE 34 HZ PHE 34 13.799 6.696 -14.226 484 HZ PHE 34 HZ PHE 34 12.334 6.228 -15.237 485 H GLU 35 H GLU 35 9.828 -0.729 -14.099 486 H GLU 35 H GLU 35 9.685 -1.492 -15.783 487 HA GLU 35 HA GLU 35 7.096 -0.573 -15.036 488 HA GLU 35 HA GLU 35 6.995 -2.053 -15.686 489 HB2 GLU 35 HB2 GLU 35 9.164 -2.161 -16.423 490 HB2 GLU 35 HB2 GLU 35 9.427 -3.778 -15.951 491 HB3 GLU 35 HB3 GLU 35 7.666 -3.014 -16.076 492 HB3 GLU 35 HB3 GLU 35 7.846 -4.534 -15.810 493 HG2 GLU 35 HG2 GLU 35 6.393 -1.356 -17.275 494 HG2 GLU 35 HG2 GLU 35 8.856 -4.012 -18.149 495 HG3 GLU 35 HG3 GLU 35 7.843 -0.389 -17.536 496 HG3 GLU 35 HG3 GLU 35 7.138 -3.767 -17.844 497 H ARG 36 H ARG 36 5.779 -1.624 -13.684 498 H ARG 36 H ARG 36 5.743 -3.556 -14.446 499 HA ARG 36 HA ARG 36 6.601 -2.672 -11.271 500 HA ARG 36 HA ARG 36 6.165 -3.281 -11.636 501 HB2 ARG 36 HB2 ARG 36 4.330 -2.035 -11.494 502 HB2 ARG 36 HB2 ARG 36 3.920 -3.322 -12.758 503 HB3 ARG 36 HB3 ARG 36 4.082 -3.112 -12.861 504 HB3 ARG 36 HB3 ARG 36 4.154 -5.042 -13.040 505 HG2 ARG 36 HG2 ARG 36 4.024 -5.012 -11.506 506 HG2 ARG 36 HG2 ARG 36 4.597 -4.951 -10.393 507 HG3 ARG 36 HG3 ARG 36 4.769 -4.171 -10.145 508 HG3 ARG 36 HG3 ARG 36 3.473 -3.601 -10.565 509 HD2 ARG 36 HD2 ARG 36 2.778 -2.861 -9.802 510 HD2 ARG 36 HD2 ARG 36 1.944 -5.130 -11.810 511 HD3 ARG 36 HD3 ARG 36 2.042 -3.531 -11.258 512 HD3 ARG 36 HD3 ARG 36 3.039 -6.457 -11.424 513 HE ARG 36 HE ARG 36 2.217 -4.777 -8.664 514 HE ARG 36 HE ARG 36 1.101 -5.293 -9.700 515 HH11 ARG 36 HH11 ARG 36 1.783 -5.276 -12.082 516 HH11 ARG 36 HH11 ARG 36 4.259 -6.760 -9.747 517 HH12 ARG 36 HH12 ARG 36 0.964 -6.791 -11.889 518 HH12 ARG 36 HH12 ARG 36 4.163 -7.330 -8.114 519 HH21 ARG 36 HH21 ARG 36 1.141 -6.770 -8.397 520 HH21 ARG 36 HH21 ARG 36 0.963 -6.038 -7.548 521 HH22 ARG 36 HH22 ARG 36 0.600 -7.639 -9.792 522 HH22 ARG 36 HH22 ARG 36 2.287 -6.919 -6.864 523 HA PRO 37 HA PRO 37 8.363 -6.522 -12.781 524 HA PRO 37 HA PRO 37 8.721 -6.904 -11.222 525 HB2 PRO 37 HB2 PRO 37 9.494 -7.201 -10.408 526 HB2 PRO 37 HB2 PRO 37 8.959 -6.770 -8.521 527 HB3 PRO 37 HB3 PRO 37 10.214 -6.025 -11.514 528 HB3 PRO 37 HB3 PRO 37 9.866 -5.722 -9.618 529 HG2 PRO 37 HG2 PRO 37 8.570 -5.554 -9.057 530 HG2 PRO 37 HG2 PRO 37 7.366 -5.140 -8.077 531 HG3 PRO 37 HG3 PRO 37 10.041 -4.723 -9.596 532 HG3 PRO 37 HG3 PRO 37 8.796 -4.118 -8.318 533 HD2 PRO 37 HD2 PRO 37 7.567 -3.676 -9.940 534 HD2 PRO 37 HD2 PRO 37 6.512 -3.788 -9.735 535 HD3 PRO 37 HD3 PRO 37 8.893 -3.389 -11.085 536 HD3 PRO 37 HD3 PRO 37 8.116 -3.447 -10.415 537 H SER 38 H SER 38 6.026 -7.202 -12.900 538 H SER 38 H SER 38 7.252 -8.523 -11.792 539 HA SER 38 HA SER 38 5.101 -8.702 -10.569 540 HA SER 38 HA SER 38 6.015 -9.876 -9.523 541 HB2 SER 38 HB2 SER 38 2.969 -8.786 -11.613 542 HB2 SER 38 HB2 SER 38 4.382 -8.311 -10.928 543 HB3 SER 38 HB3 SER 38 3.580 -7.160 -11.919 544 HB3 SER 38 HB3 SER 38 4.357 -9.714 -11.998 545 HG SER 38 HG SER 38 3.560 -7.574 -13.976 546 HG SER 38 HG SER 38 3.976 -10.852 -9.821 547 H GLY 39 H GLY 39 7.345 -9.833 -11.584 548 H GLY 39 H GLY 39 8.262 -10.798 -10.505 549 HA2 GLY 39 HA2 GLY 39 6.580 -12.482 -12.063 550 HA2 GLY 39 HA2 GLY 39 8.354 -13.298 -10.979 551 HA3 GLY 39 HA3 GLY 39 6.957 -11.749 -13.614 552 HA3 GLY 39 HA3 GLY 39 7.543 -12.871 -12.478
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