NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
603560 | 2nc5 | 26007 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LYS 1 H1 LYS 1 -12.786 -2.437 1.971 2 H2 LYS 1 H2 LYS 1 -12.765 -2.321 3.599 3 H3 LYS 1 H3 LYS 1 -11.764 -3.373 2.849 4 HA LYS 1 HA LYS 1 -11.675 -0.434 2.637 5 HB2 LYS 1 HB2 LYS 1 -10.913 -1.195 4.842 6 HB3 LYS 1 HB3 LYS 1 -9.752 -2.291 4.089 7 HG2 LYS 1 HG2 LYS 1 -8.608 -0.272 3.048 8 HG3 LYS 1 HG3 LYS 1 -9.778 0.756 3.883 9 HD2 LYS 1 HD2 LYS 1 -7.767 0.776 5.162 10 HD3 LYS 1 HD3 LYS 1 -8.937 -0.191 6.073 11 HE2 LYS 1 HE2 LYS 1 -7.881 -2.275 5.164 12 HE3 LYS 1 HE3 LYS 1 -6.725 -1.284 4.259 13 HZ1 LYS 1 HZ1 LYS 1 -5.913 -0.423 6.394 14 HZ2 LYS 1 HZ2 LYS 1 -6.985 -1.337 7.221 15 HZ3 LYS 1 HZ3 LYS 1 -5.792 -2.053 6.369 16 H LEU 2 H LEU 2 -9.375 -3.166 2.066 17 HA LEU 2 HA LEU 2 -8.210 -1.703 -0.147 18 HB2 LEU 2 HB2 LEU 2 -7.060 -3.042 1.744 19 HB3 LEU 2 HB3 LEU 2 -7.545 -4.489 0.845 20 HG LEU 2 HG LEU 2 -6.241 -3.535 -1.142 21 HD11 LEU 2 HD11 LEU 2 -4.500 -1.861 -0.594 22 HD12 LEU 2 HD12 LEU 2 -6.104 -1.155 -0.398 23 HD13 LEU 2 HD13 LEU 2 -5.186 -1.660 1.037 24 HD21 LEU 2 HD21 LEU 2 -4.062 -4.203 -0.206 25 HD22 LEU 2 HD22 LEU 2 -4.718 -4.054 1.446 26 HD23 LEU 2 HD23 LEU 2 -5.352 -5.293 0.345 27 HA PRO 3 HA PRO 3 -10.726 -3.716 -3.216 28 HB2 PRO 3 HB2 PRO 3 -9.298 -3.221 -5.540 29 HB3 PRO 3 HB3 PRO 3 -10.276 -2.004 -4.659 30 HG2 PRO 3 HG2 PRO 3 -7.290 -2.491 -4.456 31 HG3 PRO 3 HG3 PRO 3 -8.148 -0.940 -4.654 32 HD2 PRO 3 HD2 PRO 3 -7.295 -1.786 -2.243 33 HD3 PRO 3 HD3 PRO 3 -8.876 -0.966 -2.432 34 HA PRO 4 HA PRO 4 -9.573 -7.857 -3.908 35 HB2 PRO 4 HB2 PRO 4 -10.320 -7.548 -6.822 36 HB3 PRO 4 HB3 PRO 4 -10.778 -8.846 -5.668 37 HG2 PRO 4 HG2 PRO 4 -12.529 -6.863 -6.216 38 HG3 PRO 4 HG3 PRO 4 -12.284 -7.378 -4.512 39 HD2 PRO 4 HD2 PRO 4 -11.088 -4.993 -5.949 40 HD3 PRO 4 HD3 PRO 4 -11.835 -5.087 -4.323 41 H GLY 5 H GLY 5 -7.853 -9.123 -4.352 42 HA2 GLY 5 HA2 GLY 5 -5.927 -9.937 -5.292 43 HA3 GLY 5 HA3 GLY 5 -6.014 -8.699 -6.561 44 H TRP 6 H TRP 6 -6.073 -6.577 -4.239 45 HA TRP 6 HA TRP 6 -3.165 -6.302 -4.027 46 HB2 TRP 6 HB2 TRP 6 -5.425 -4.566 -3.036 47 HB3 TRP 6 HB3 TRP 6 -3.723 -4.205 -2.797 48 HD1 TRP 6 HD1 TRP 6 -6.420 -4.199 -5.414 49 HE1 TRP 6 HE1 TRP 6 -5.642 -2.963 -7.532 50 HE3 TRP 6 HE3 TRP 6 -1.461 -3.795 -4.280 51 HZ2 TRP 6 HZ2 TRP 6 -3.102 -2.184 -8.704 52 HZ3 TRP 6 HZ3 TRP 6 0.145 -2.840 -5.952 53 HH2 TRP 6 HH2 TRP 6 -0.669 -2.056 -8.154 54 H GLU 7 H GLU 7 -1.911 -6.213 -2.212 55 HA GLU 7 HA GLU 7 -3.059 -6.611 0.474 56 HB2 GLU 7 HB2 GLU 7 -2.503 -8.883 -0.480 57 HB3 GLU 7 HB3 GLU 7 -0.816 -8.365 -0.621 58 HG2 GLU 7 HG2 GLU 7 -0.708 -8.028 1.825 59 HG3 GLU 7 HG3 GLU 7 -2.419 -8.435 1.974 60 H LYS 8 H LYS 8 -1.745 -5.645 2.103 61 HA LYS 8 HA LYS 8 0.184 -3.655 1.213 62 HB2 LYS 8 HB2 LYS 8 -0.803 -4.505 3.942 63 HB3 LYS 8 HB3 LYS 8 0.594 -3.424 3.756 64 HG2 LYS 8 HG2 LYS 8 -0.698 -1.891 2.362 65 HG3 LYS 8 HG3 LYS 8 -2.112 -2.960 2.453 66 HD2 LYS 8 HD2 LYS 8 -2.536 -1.195 3.959 67 HD3 LYS 8 HD3 LYS 8 -2.081 -2.571 4.985 68 HE2 LYS 8 HE2 LYS 8 0.256 -1.664 5.114 69 HE3 LYS 8 HE3 LYS 8 -0.227 -0.311 4.079 70 HZ1 LYS 8 HZ1 LYS 8 -1.790 0.373 5.814 71 HZ2 LYS 8 HZ2 LYS 8 -1.351 -0.880 6.771 72 HZ3 LYS 8 HZ3 LYS 8 -0.280 0.301 6.428 73 H ARG 9 H ARG 9 2.309 -3.508 1.529 74 HA ARG 9 HA ARG 9 3.926 -5.941 2.134 75 HB2 ARG 9 HB2 ARG 9 3.111 -5.670 -0.354 76 HB3 ARG 9 HB3 ARG 9 4.242 -4.332 -0.434 77 HG2 ARG 9 HG2 ARG 9 5.239 -6.294 -1.390 78 HG3 ARG 9 HG3 ARG 9 6.099 -5.948 0.127 79 HD2 ARG 9 HD2 ARG 9 4.779 -7.722 1.260 80 HD3 ARG 9 HD3 ARG 9 3.896 -8.037 -0.244 81 HE ARG 9 HE ARG 9 6.671 -8.787 0.440 82 HH11 ARG 9 HH11 ARG 9 4.330 -8.667 -2.179 83 HH12 ARG 9 HH12 ARG 9 5.210 -9.830 -3.124 84 HH21 ARG 9 HH21 ARG 9 7.735 -10.245 -0.831 85 HH22 ARG 9 HH22 ARG 9 7.078 -10.694 -2.381 86 H MET 10 H MET 10 6.326 -5.404 2.218 87 HA MET 10 HA MET 10 6.939 -2.580 2.767 88 HB2 MET 10 HB2 MET 10 5.780 -3.449 4.825 89 HB3 MET 10 HB3 MET 10 7.078 -4.648 4.993 90 HG2 MET 10 HG2 MET 10 8.719 -2.748 5.177 91 HG3 MET 10 HG3 MET 10 7.358 -1.620 5.050 92 HE1 MET 10 HE1 MET 10 8.424 -4.274 8.682 93 HE2 MET 10 HE2 MET 10 7.948 -5.011 7.138 94 HE3 MET 10 HE3 MET 10 9.427 -4.026 7.236 95 H PHE 11 H PHE 11 8.995 -2.063 2.546 96 HA PHE 11 HA PHE 11 10.973 -3.963 1.646 97 HB2 PHE 11 HB2 PHE 11 11.029 -0.998 2.183 98 HB3 PHE 11 HB3 PHE 11 12.469 -1.899 1.707 99 HD1 PHE 11 HD1 PHE 11 12.479 -3.219 -0.477 100 HD2 PHE 11 HD2 PHE 11 9.475 -0.280 0.493 101 HE1 PHE 11 HE1 PHE 11 11.896 -3.014 -2.884 102 HE2 PHE 11 HE2 PHE 11 8.903 -0.070 -1.912 103 HZ PHE 11 HZ PHE 11 10.109 -1.438 -3.604 104 H ALA 12 H ALA 12 13.154 -4.227 2.472 105 HA ALA 12 HA ALA 12 13.239 -5.111 5.166 106 HB1 ALA 12 HB1 ALA 12 15.649 -5.399 4.713 107 HB2 ALA 12 HB2 ALA 12 14.672 -5.957 3.343 108 HB3 ALA 12 HB3 ALA 12 15.510 -4.388 3.258 109 H ASN 13 H ASN 13 13.808 -1.901 3.889 110 HA ASN 13 HA ASN 13 15.093 -0.893 6.333 111 HB2 ASN 13 HB2 ASN 13 15.177 1.235 5.151 112 HB3 ASN 13 HB3 ASN 13 15.807 -0.082 4.154 113 HD21 ASN 13 HD21 ASN 13 15.528 1.325 2.367 114 H GLY 14 H GLY 14 11.923 -1.705 5.761 115 HA2 GLY 14 HA2 GLY 14 10.149 -1.373 7.220 116 HA3 GLY 14 HA3 GLY 14 10.954 0.029 7.943 117 H THR 15 H THR 15 10.658 0.041 4.441 118 HA THR 15 HA THR 15 8.669 2.239 4.574 119 HB THR 15 HB THR 15 10.333 1.131 2.280 120 HG1 THR 15 HG1 THR 15 11.660 2.101 3.572 121 HG21 THR 15 HG21 THR 15 8.368 2.199 1.358 122 HG22 THR 15 HG22 THR 15 8.588 3.612 2.424 123 HG23 THR 15 HG23 THR 15 9.771 3.251 1.139 124 H VAL 16 H VAL 16 6.555 1.928 4.137 125 HA VAL 16 HA VAL 16 5.626 -0.748 3.297 126 HB VAL 16 HB VAL 16 4.231 1.663 4.511 127 HG11 VAL 16 HG11 VAL 16 2.563 0.491 3.169 128 HG12 VAL 16 HG12 VAL 16 3.059 -1.072 3.865 129 HG13 VAL 16 HG13 VAL 16 2.288 0.168 4.879 130 HG21 VAL 16 HG21 VAL 16 5.720 0.424 6.067 131 HG22 VAL 16 HG22 VAL 16 4.017 0.214 6.494 132 HG23 VAL 16 HG23 VAL 16 4.882 -1.089 5.654 133 H TYR 17 H TYR 17 4.337 -1.161 1.587 134 HA TYR 17 HA TYR 17 3.365 0.891 -0.272 135 HB2 TYR 17 HB2 TYR 17 4.622 0.121 -2.166 136 HB3 TYR 17 HB3 TYR 17 5.764 0.560 -0.909 137 HD1 TYR 17 HD1 TYR 17 4.616 -2.040 -3.150 138 HD2 TYR 17 HD2 TYR 17 6.953 -1.281 0.398 139 HE1 TYR 17 HE1 TYR 17 5.836 -4.177 -3.503 140 HE2 TYR 17 HE2 TYR 17 8.202 -3.409 0.011 141 HH TYR 17 HH TYR 17 7.590 -5.479 -2.825 142 H TYR 18 H TYR 18 2.640 -0.673 -2.352 143 HA TYR 18 HA TYR 18 0.894 -2.783 -1.184 144 HB2 TYR 18 HB2 TYR 18 0.225 -0.641 -3.218 145 HB3 TYR 18 HB3 TYR 18 -0.810 -2.017 -2.815 146 HD1 TYR 18 HD1 TYR 18 0.656 1.131 -1.525 147 HD2 TYR 18 HD2 TYR 18 -2.017 -2.157 -0.719 148 HE1 TYR 18 HE1 TYR 18 -0.153 2.306 0.493 149 HE2 TYR 18 HE2 TYR 18 -2.911 -0.936 1.247 150 HH TYR 18 HH TYR 18 -1.599 2.234 2.277 151 H PHE 19 H PHE 19 0.501 -4.629 -2.239 152 HA PHE 19 HA PHE 19 1.798 -5.076 -4.866 153 HB2 PHE 19 HB2 PHE 19 3.419 -5.828 -3.380 154 HB3 PHE 19 HB3 PHE 19 2.218 -6.598 -2.333 155 HD1 PHE 19 HD1 PHE 19 1.335 -8.835 -2.776 156 HD2 PHE 19 HD2 PHE 19 4.102 -6.931 -5.489 157 HE1 PHE 19 HE1 PHE 19 1.789 -11.016 -3.855 158 HE2 PHE 19 HE2 PHE 19 4.506 -9.109 -6.602 159 HZ PHE 19 HZ PHE 19 3.353 -11.163 -5.781 160 H ASN 20 H ASN 20 0.778 -6.221 -6.366 161 HA ASN 20 HA ASN 20 -1.929 -7.252 -5.689 162 HB2 ASN 20 HB2 ASN 20 -1.619 -5.578 -7.514 163 HB3 ASN 20 HB3 ASN 20 -0.649 -6.769 -8.404 164 HD21 ASN 20 HD21 ASN 20 -4.448 -6.847 -9.173 165 HD22 ASN 20 HD22 ASN 20 -3.445 -5.446 -8.791 166 H HIS 21 H HIS 21 -1.958 -9.350 -5.082 167 HA HIS 21 HA HIS 21 0.264 -11.119 -5.768 168 HB2 HIS 21 HB2 HIS 21 -0.327 -12.329 -4.001 169 HB3 HIS 21 HB3 HIS 21 -1.234 -10.891 -3.546 170 HD2 HIS 21 HD2 HIS 21 -3.981 -10.998 -4.180 171 HE1 HIS 21 HE1 HIS 21 -4.165 -15.257 -4.163 172 HE2 HIS 21 HE2 HIS 21 -5.547 -13.120 -4.085 173 H ILE 22 H ILE 22 -2.681 -10.438 -7.360 174 HA ILE 22 HA ILE 22 -2.981 -13.036 -8.674 175 HB ILE 22 HB ILE 22 -4.152 -10.330 -9.424 176 HG12 ILE 22 HG12 ILE 22 -4.798 -10.783 -7.117 177 HG13 ILE 22 HG13 ILE 22 -6.173 -10.861 -8.218 178 HG21 ILE 22 HG21 ILE 22 -5.943 -11.705 -10.479 179 HG22 ILE 22 HG22 ILE 22 -4.357 -11.879 -11.235 180 HG23 ILE 22 HG23 ILE 22 -4.963 -13.156 -10.159 181 HD11 ILE 22 HD11 ILE 22 -6.157 -13.325 -8.112 182 HD12 ILE 22 HD12 ILE 22 -4.723 -13.281 -7.058 183 HD13 ILE 22 HD13 ILE 22 -6.268 -12.610 -6.496 184 H THR 23 H THR 23 -1.637 -9.832 -9.407 185 HA THR 23 HA THR 23 -0.702 -10.737 -12.078 186 HB THR 23 HB THR 23 -0.930 -8.554 -12.871 187 HG1 THR 23 HG1 THR 23 -1.699 -6.964 -11.230 188 HG21 THR 23 HG21 THR 23 -3.218 -7.949 -12.522 189 HG22 THR 23 HG22 THR 23 -3.143 -9.719 -12.460 190 HG23 THR 23 HG23 THR 23 -3.287 -8.780 -10.956 191 H ASN 24 H ASN 24 0.664 -10.040 -9.112 192 HA ASN 24 HA ASN 24 2.665 -9.605 -8.301 193 HB2 ASN 24 HB2 ASN 24 3.759 -10.429 -11.012 194 HB3 ASN 24 HB3 ASN 24 4.726 -10.159 -9.557 195 HD21 ASN 24 HD21 ASN 24 4.783 -11.735 -7.932 196 HD22 ASN 24 HD22 ASN 24 3.990 -13.299 -8.146 197 H ALA 25 H ALA 25 1.147 -7.446 -10.001 198 HA ALA 25 HA ALA 25 3.165 -5.419 -10.473 199 HB1 ALA 25 HB1 ALA 25 0.174 -5.145 -9.949 200 HB2 ALA 25 HB2 ALA 25 1.241 -3.910 -10.640 201 HB3 ALA 25 HB3 ALA 25 0.926 -5.405 -11.540 202 H SER 26 H SER 26 3.391 -3.407 -9.221 203 HA SER 26 HA SER 26 2.494 -3.374 -6.444 204 HB2 SER 26 HB2 SER 26 4.761 -3.101 -5.483 205 HB3 SER 26 HB3 SER 26 4.468 -4.713 -6.140 206 HG SER 26 HG SER 26 5.899 -2.613 -7.435 207 H GLN 27 H GLN 27 2.672 -1.387 -5.384 208 HA GLN 27 HA GLN 27 3.787 0.955 -6.754 209 HB2 GLN 27 HB2 GLN 27 1.713 2.129 -7.056 210 HB3 GLN 27 HB3 GLN 27 1.600 0.578 -7.894 211 HG2 GLN 27 HG2 GLN 27 0.237 -0.334 -6.024 212 HG3 GLN 27 HG3 GLN 27 0.364 1.207 -5.184 213 HE21 GLN 27 HE21 GLN 27 -1.591 2.223 -5.310 214 HE22 GLN 27 HE22 GLN 27 -2.561 2.338 -6.794 215 H PHE 28 H PHE 28 3.866 2.845 -5.401 216 HA PHE 28 HA PHE 28 3.781 2.264 -2.539 217 HB2 PHE 28 HB2 PHE 28 5.696 3.359 -3.095 218 HB3 PHE 28 HB3 PHE 28 4.874 4.499 -4.169 219 HD1 PHE 28 HD1 PHE 28 3.764 6.502 -3.347 220 HD2 PHE 28 HD2 PHE 28 5.696 3.755 -0.634 221 HE1 PHE 28 HE1 PHE 28 3.637 8.198 -1.541 222 HE2 PHE 28 HE2 PHE 28 5.582 5.462 1.168 223 HZ PHE 28 HZ PHE 28 4.552 7.685 0.720 224 H GLU 29 H GLU 29 1.814 4.326 -4.611 225 HA GLU 29 HA GLU 29 0.355 5.497 -2.418 226 HB2 GLU 29 HB2 GLU 29 0.536 6.723 -4.439 227 HB3 GLU 29 HB3 GLU 29 -0.023 5.367 -5.409 228 HG2 GLU 29 HG2 GLU 29 -1.690 7.065 -5.376 229 HG3 GLU 29 HG3 GLU 29 -2.302 5.622 -4.593 230 H ARG 30 H ARG 30 -1.655 5.066 -1.589 231 HA ARG 30 HA ARG 30 -2.396 2.334 -1.371 232 HB2 ARG 30 HB2 ARG 30 -2.660 3.841 0.424 233 HB3 ARG 30 HB3 ARG 30 -3.750 4.891 -0.473 234 HG2 ARG 30 HG2 ARG 30 -4.486 1.990 0.052 235 HG3 ARG 30 HG3 ARG 30 -4.669 3.206 1.325 236 HD2 ARG 30 HD2 ARG 30 -6.508 4.114 0.425 237 HD3 ARG 30 HD3 ARG 30 -5.817 4.184 -1.181 238 HE ARG 30 HE ARG 30 -6.605 2.017 -1.707 239 HH11 ARG 30 HH11 ARG 30 -7.759 2.890 1.513 240 HH12 ARG 30 HH12 ARG 30 -9.162 1.863 1.332 241 HH21 ARG 30 HH21 ARG 30 -9.419 0.611 -0.463 242 HH22 ARG 30 HH22 ARG 30 -8.331 0.843 -1.836 243 HA PRO 31 HA PRO 31 -4.522 2.016 -5.208 244 HB2 PRO 31 HB2 PRO 31 -5.421 -0.576 -5.109 245 HB3 PRO 31 HB3 PRO 31 -3.701 -0.108 -5.267 246 HG2 PRO 31 HG2 PRO 31 -5.168 -0.856 -2.718 247 HG3 PRO 31 HG3 PRO 31 -3.602 -1.485 -3.326 248 HD2 PRO 31 HD2 PRO 31 -3.723 0.513 -1.511 249 HD3 PRO 31 HD3 PRO 31 -2.498 0.531 -2.821 250 H SER 32 H SER 32 -6.396 2.767 -5.943 251 HA SER 32 HA SER 32 -8.929 2.512 -4.444 252 HB2 SER 32 HB2 SER 32 -8.284 3.766 -7.141 253 HB3 SER 32 HB3 SER 32 -9.848 3.857 -6.315 254 HG SER 32 HG SER 32 -8.896 5.017 -4.658 255 H GLY 33 H GLY 33 -7.324 0.848 -7.062 256 HA2 GLY 33 HA2 GLY 33 -9.011 -1.398 -7.186 257 HA3 GLY 33 HA3 GLY 33 -9.592 -0.284 -8.425 258 H1B XYP 101 H1 XYP 34 12.805 2.184 1.664 259 H2B XYP 101 H2 XYP 34 15.494 2.639 0.252 260 H3B XYP 101 H3 XYP 34 12.777 3.934 -0.274 261 H4B XYP 101 H4 XYP 34 14.290 1.941 -2.030 262 H5B1 XYP 101 H5E XYP 34 12.545 0.310 -1.484 263 H5B2 XYP 101 H5A XYP 34 11.709 1.483 -0.446 264 HO2B XYP 101 H2O XYP 34 15.012 4.844 1.005 265 HO3B XYP 101 H3O XYP 34 15.285 4.115 -1.714 266 HO4B XYP 101 H4O XYP 34 12.870 3.621 -2.961 Start of MODEL 2 1 H1 LYS 1 H1 LYS 1 -11.563 -3.554 3.120 2 H2 LYS 1 H2 LYS 1 -12.451 -2.330 2.487 3 H3 LYS 1 H3 LYS 1 -12.379 -2.535 4.105 4 HA LYS 1 HA LYS 1 -11.038 -0.673 3.457 5 HB2 LYS 1 HB2 LYS 1 -10.357 -1.949 5.445 6 HB3 LYS 1 HB3 LYS 1 -9.388 -3.030 4.445 7 HG2 LYS 1 HG2 LYS 1 -8.008 -0.980 3.737 8 HG3 LYS 1 HG3 LYS 1 -8.961 -0.041 4.889 9 HD2 LYS 1 HD2 LYS 1 -6.922 -0.594 5.974 10 HD3 LYS 1 HD3 LYS 1 -8.153 -1.637 6.703 11 HE2 LYS 1 HE2 LYS 1 -7.421 -3.497 5.176 12 HE3 LYS 1 HE3 LYS 1 -6.187 -2.428 4.489 13 HZ1 LYS 1 HZ1 LYS 1 -6.331 -3.283 7.335 14 HZ2 LYS 1 HZ2 LYS 1 -5.271 -3.851 6.233 15 HZ3 LYS 1 HZ3 LYS 1 -5.189 -2.291 6.717 16 H LEU 2 H LEU 2 -9.110 -3.506 2.341 17 HA LEU 2 HA LEU 2 -7.931 -1.842 0.245 18 HB2 LEU 2 HB2 LEU 2 -6.717 -3.292 1.984 19 HB3 LEU 2 HB3 LEU 2 -7.303 -4.693 1.074 20 HG LEU 2 HG LEU 2 -6.067 -3.746 -0.950 21 HD11 LEU 2 HD11 LEU 2 -5.808 -1.390 -0.160 22 HD12 LEU 2 HD12 LEU 2 -4.832 -1.960 1.205 23 HD13 LEU 2 HD13 LEU 2 -4.245 -2.140 -0.470 24 HD21 LEU 2 HD21 LEU 2 -4.444 -4.372 1.553 25 HD22 LEU 2 HD22 LEU 2 -5.163 -5.563 0.450 26 HD23 LEU 2 HD23 LEU 2 -3.864 -4.497 -0.128 27 HA PRO 3 HA PRO 3 -10.578 -3.593 -2.875 28 HB2 PRO 3 HB2 PRO 3 -9.147 -3.106 -5.200 29 HB3 PRO 3 HB3 PRO 3 -10.051 -1.867 -4.273 30 HG2 PRO 3 HG2 PRO 3 -7.094 -2.521 -4.105 31 HG3 PRO 3 HG3 PRO 3 -7.863 -0.920 -4.261 32 HD2 PRO 3 HD2 PRO 3 -7.044 -1.869 -1.889 33 HD3 PRO 3 HD3 PRO 3 -8.586 -0.969 -2.035 34 HA PRO 4 HA PRO 4 -9.614 -7.773 -3.694 35 HB2 PRO 4 HB2 PRO 4 -10.478 -7.360 -6.562 36 HB3 PRO 4 HB3 PRO 4 -10.940 -8.664 -5.419 37 HG2 PRO 4 HG2 PRO 4 -12.627 -6.598 -5.850 38 HG3 PRO 4 HG3 PRO 4 -12.336 -7.165 -4.170 39 HD2 PRO 4 HD2 PRO 4 -11.096 -4.795 -5.598 40 HD3 PRO 4 HD3 PRO 4 -11.786 -4.900 -3.947 41 H GLY 5 H GLY 5 -7.955 -9.082 -4.255 42 HA2 GLY 5 HA2 GLY 5 -6.089 -9.917 -5.307 43 HA3 GLY 5 HA3 GLY 5 -6.204 -8.638 -6.532 44 H TRP 6 H TRP 6 -6.118 -6.626 -4.083 45 HA TRP 6 HA TRP 6 -3.198 -6.388 -4.066 46 HB2 TRP 6 HB2 TRP 6 -5.373 -4.639 -2.932 47 HB3 TRP 6 HB3 TRP 6 -3.658 -4.310 -2.748 48 HD1 TRP 6 HD1 TRP 6 -6.446 -4.206 -5.273 49 HE1 TRP 6 HE1 TRP 6 -5.716 -2.942 -7.389 50 HE3 TRP 6 HE3 TRP 6 -1.449 -3.892 -4.288 51 HZ2 TRP 6 HZ2 TRP 6 -3.201 -2.182 -8.629 52 HZ3 TRP 6 HZ3 TRP 6 0.118 -2.923 -5.989 53 HH2 TRP 6 HH2 TRP 6 -0.752 -2.091 -8.152 54 H GLU 7 H GLU 7 -1.854 -6.243 -2.305 55 HA GLU 7 HA GLU 7 -2.792 -6.970 0.413 56 HB2 GLU 7 HB2 GLU 7 -1.975 -9.037 -0.925 57 HB3 GLU 7 HB3 GLU 7 -0.389 -8.254 -0.934 58 HG2 GLU 7 HG2 GLU 7 -0.615 -8.178 1.651 59 HG3 GLU 7 HG3 GLU 7 -2.017 -9.222 1.457 60 H LYS 8 H LYS 8 -1.540 -5.945 2.038 61 HA LYS 8 HA LYS 8 0.324 -3.830 1.245 62 HB2 LYS 8 HB2 LYS 8 -0.655 -4.855 3.920 63 HB3 LYS 8 HB3 LYS 8 0.737 -3.763 3.806 64 HG2 LYS 8 HG2 LYS 8 -0.573 -2.139 2.524 65 HG3 LYS 8 HG3 LYS 8 -1.984 -3.214 2.580 66 HD2 LYS 8 HD2 LYS 8 -2.363 -1.565 4.244 67 HD3 LYS 8 HD3 LYS 8 -1.854 -3.007 5.144 68 HE2 LYS 8 HE2 LYS 8 0.488 -2.088 5.200 69 HE3 LYS 8 HE3 LYS 8 -0.076 -0.657 4.325 70 HZ1 LYS 8 HZ1 LYS 8 0.018 -0.262 6.721 71 HZ2 LYS 8 HZ2 LYS 8 -1.531 -0.161 6.219 72 HZ3 LYS 8 HZ3 LYS 8 -1.013 -1.490 7.021 73 H ARG 9 H ARG 9 2.426 -3.682 1.529 74 HA ARG 9 HA ARG 9 4.102 -5.968 2.442 75 HB2 ARG 9 HB2 ARG 9 4.428 -4.527 -0.216 76 HB3 ARG 9 HB3 ARG 9 5.617 -5.646 0.455 77 HG2 ARG 9 HG2 ARG 9 2.831 -6.331 -0.412 78 HG3 ARG 9 HG3 ARG 9 4.314 -6.667 -1.321 79 HD2 ARG 9 HD2 ARG 9 5.112 -8.179 0.444 80 HD3 ARG 9 HD3 ARG 9 3.678 -7.835 1.423 81 HE ARG 9 HE ARG 9 2.347 -9.183 0.072 82 HH11 ARG 9 HH11 ARG 9 5.197 -10.543 -2.332 83 HH12 ARG 9 HH12 ARG 9 5.525 -9.077 -1.443 84 HH21 ARG 9 HH21 ARG 9 2.029 -10.909 -1.002 85 HH22 ARG 9 HH22 ARG 9 3.242 -11.590 -2.095 86 H MET 10 H MET 10 6.392 -5.338 2.394 87 HA MET 10 HA MET 10 6.978 -2.550 3.156 88 HB2 MET 10 HB2 MET 10 7.209 -4.776 5.229 89 HB3 MET 10 HB3 MET 10 7.798 -3.118 5.394 90 HG2 MET 10 HG2 MET 10 5.895 -2.993 6.610 91 HG3 MET 10 HG3 MET 10 5.339 -2.399 5.044 92 HE1 MET 10 HE1 MET 10 4.234 -6.453 7.045 93 HE2 MET 10 HE2 MET 10 5.889 -6.150 6.486 94 HE3 MET 10 HE3 MET 10 5.195 -5.158 7.790 95 H PHE 11 H PHE 11 9.024 -2.001 2.939 96 HA PHE 11 HA PHE 11 11.077 -3.873 2.050 97 HB2 PHE 11 HB2 PHE 11 11.004 -0.891 2.474 98 HB3 PHE 11 HB3 PHE 11 12.495 -1.749 2.082 99 HD1 PHE 11 HD1 PHE 11 9.466 -0.309 0.722 100 HD2 PHE 11 HD2 PHE 11 12.669 -3.086 -0.068 101 HE1 PHE 11 HE1 PHE 11 8.993 -0.162 -1.711 102 HE2 PHE 11 HE2 PHE 11 12.185 -2.946 -2.502 103 HZ PHE 11 HZ PHE 11 10.349 -1.482 -3.326 104 H ALA 12 H ALA 12 13.211 -4.078 2.980 105 HA ALA 12 HA ALA 12 13.234 -4.716 5.754 106 HB1 ALA 12 HB1 ALA 12 14.701 -5.737 4.050 107 HB2 ALA 12 HB2 ALA 12 15.541 -4.183 3.828 108 HB3 ALA 12 HB3 ALA 12 15.651 -5.045 5.378 109 H ASN 13 H ASN 13 13.779 -1.646 4.184 110 HA ASN 13 HA ASN 13 15.105 -0.382 6.473 111 HB2 ASN 13 HB2 ASN 13 15.106 1.610 5.089 112 HB3 ASN 13 HB3 ASN 13 15.662 0.216 4.151 113 HD21 ASN 13 HD21 ASN 13 15.199 1.704 2.350 114 H GLY 14 H GLY 14 11.896 -1.266 6.031 115 HA2 GLY 14 HA2 GLY 14 10.144 -0.823 7.507 116 HA3 GLY 14 HA3 GLY 14 10.945 0.649 8.077 117 H THR 15 H THR 15 10.633 0.351 4.602 118 HA THR 15 HA THR 15 8.573 2.495 4.525 119 HB THR 15 HB THR 15 10.307 1.209 2.387 120 HG1 THR 15 HG1 THR 15 11.477 2.377 3.748 121 HG21 THR 15 HG21 THR 15 8.534 3.656 2.151 122 HG22 THR 15 HG22 THR 15 9.733 3.094 0.953 123 HG23 THR 15 HG23 THR 15 8.325 2.098 1.305 124 H VAL 16 H VAL 16 6.491 2.162 3.851 125 HA VAL 16 HA VAL 16 5.592 -0.604 3.371 126 HB VAL 16 HB VAL 16 4.026 1.943 3.906 127 HG11 VAL 16 HG11 VAL 16 3.160 -0.970 4.015 128 HG12 VAL 16 HG12 VAL 16 2.192 0.423 4.553 129 HG13 VAL 16 HG13 VAL 16 2.606 0.258 2.849 130 HG21 VAL 16 HG21 VAL 16 4.860 -0.267 5.832 131 HG22 VAL 16 HG22 VAL 16 5.433 1.414 5.853 132 HG23 VAL 16 HG23 VAL 16 3.743 1.062 6.205 133 H TYR 17 H TYR 17 4.431 -1.290 1.600 134 HA TYR 17 HA TYR 17 3.605 0.564 -0.513 135 HB2 TYR 17 HB2 TYR 17 4.789 -0.505 -2.316 136 HB3 TYR 17 HB3 TYR 17 5.940 0.099 -1.136 137 HD1 TYR 17 HD1 TYR 17 7.220 -1.487 0.318 138 HD2 TYR 17 HD2 TYR 17 4.641 -2.884 -2.853 139 HE1 TYR 17 HE1 TYR 17 8.504 -3.616 0.198 140 HE2 TYR 17 HE2 TYR 17 5.937 -4.997 -2.979 141 HH TYR 17 HH TYR 17 8.762 -5.609 -0.871 142 H TYR 18 H TYR 18 2.740 -0.974 -2.425 143 HA TYR 18 HA TYR 18 1.002 -3.068 -1.214 144 HB2 TYR 18 HB2 TYR 18 0.249 -0.881 -3.178 145 HB3 TYR 18 HB3 TYR 18 -0.792 -2.222 -2.681 146 HD1 TYR 18 HD1 TYR 18 -1.822 -2.306 -0.475 147 HD2 TYR 18 HD2 TYR 18 0.788 0.942 -1.593 148 HE1 TYR 18 HE1 TYR 18 -2.621 -0.984 1.470 149 HE2 TYR 18 HE2 TYR 18 0.053 2.225 0.413 150 HH TYR 18 HH TYR 18 -2.330 0.902 2.730 151 H PHE 19 H PHE 19 0.533 -4.847 -2.379 152 HA PHE 19 HA PHE 19 1.720 -5.168 -5.076 153 HB2 PHE 19 HB2 PHE 19 3.401 -6.018 -3.711 154 HB3 PHE 19 HB3 PHE 19 2.233 -6.825 -2.652 155 HD1 PHE 19 HD1 PHE 19 4.012 -7.057 -5.874 156 HD2 PHE 19 HD2 PHE 19 1.282 -9.000 -3.158 157 HE1 PHE 19 HE1 PHE 19 4.328 -9.194 -7.089 158 HE2 PHE 19 HE2 PHE 19 1.635 -11.145 -4.349 159 HZ PHE 19 HZ PHE 19 3.141 -11.248 -6.327 160 H ASN 20 H ASN 20 0.642 -6.264 -6.583 161 HA ASN 20 HA ASN 20 -2.060 -7.267 -5.844 162 HB2 ASN 20 HB2 ASN 20 -1.789 -5.521 -7.602 163 HB3 ASN 20 HB3 ASN 20 -0.872 -6.683 -8.581 164 HD21 ASN 20 HD21 ASN 20 -3.620 -5.298 -8.870 165 HD22 ASN 20 HD22 ASN 20 -4.677 -6.659 -9.256 166 H HIS 21 H HIS 21 -2.082 -9.386 -5.302 167 HA HIS 21 HA HIS 21 0.065 -11.161 -6.181 168 HB2 HIS 21 HB2 HIS 21 -0.452 -12.439 -4.438 169 HB3 HIS 21 HB3 HIS 21 -1.302 -11.006 -3.872 170 HD2 HIS 21 HD2 HIS 21 -4.082 -11.030 -4.387 171 HE1 HIS 21 HE1 HIS 21 -4.359 -15.282 -4.505 172 HE2 HIS 21 HE2 HIS 21 -5.688 -13.121 -4.295 173 H ILE 22 H ILE 22 -2.919 -10.355 -7.613 174 HA ILE 22 HA ILE 22 -3.339 -12.895 -9.005 175 HB ILE 22 HB ILE 22 -4.457 -10.134 -9.628 176 HG12 ILE 22 HG12 ILE 22 -5.037 -10.623 -7.314 177 HG13 ILE 22 HG13 ILE 22 -6.453 -10.656 -8.365 178 HG21 ILE 22 HG21 ILE 22 -4.767 -11.627 -11.470 179 HG22 ILE 22 HG22 ILE 22 -5.379 -12.914 -10.409 180 HG23 ILE 22 HG23 ILE 22 -6.322 -11.424 -10.657 181 HD11 ILE 22 HD11 ILE 22 -6.472 -13.123 -8.309 182 HD12 ILE 22 HD12 ILE 22 -5.000 -13.123 -7.307 183 HD13 ILE 22 HD13 ILE 22 -6.513 -12.440 -6.675 184 H THR 23 H THR 23 -1.927 -9.705 -9.669 185 HA THR 23 HA THR 23 -1.118 -10.528 -12.405 186 HB THR 23 HB THR 23 -1.274 -8.296 -13.086 187 HG1 THR 23 HG1 THR 23 -1.938 -6.768 -11.342 188 HG21 THR 23 HG21 THR 23 -3.584 -8.537 -11.116 189 HG22 THR 23 HG22 THR 23 -3.527 -7.627 -12.638 190 HG23 THR 23 HG23 THR 23 -3.516 -9.398 -12.671 191 H ASN 24 H ASN 24 0.361 -9.997 -9.455 192 HA ASN 24 HA ASN 24 2.394 -9.690 -8.681 193 HB2 ASN 24 HB2 ASN 24 3.437 -10.368 -11.448 194 HB3 ASN 24 HB3 ASN 24 4.392 -10.302 -9.962 195 HD21 ASN 24 HD21 ASN 24 2.926 -12.459 -11.984 196 HD22 ASN 24 HD22 ASN 24 2.665 -13.752 -10.808 197 H ALA 25 H ALA 25 0.919 -7.397 -10.229 198 HA ALA 25 HA ALA 25 3.006 -5.433 -10.678 199 HB1 ALA 25 HB1 ALA 25 0.746 -5.283 -11.685 200 HB2 ALA 25 HB2 ALA 25 0.043 -5.062 -10.065 201 HB3 ALA 25 HB3 ALA 25 1.143 -3.842 -10.731 202 H SER 26 H SER 26 3.358 -3.491 -9.347 203 HA SER 26 HA SER 26 2.487 -3.516 -6.569 204 HB2 SER 26 HB2 SER 26 4.727 -3.359 -5.573 205 HB3 SER 26 HB3 SER 26 4.428 -4.934 -6.308 206 HG SER 26 HG SER 26 5.672 -4.326 -8.072 207 H GLN 27 H GLN 27 2.753 -1.575 -5.451 208 HA GLN 27 HA GLN 27 3.882 0.774 -6.790 209 HB2 GLN 27 HB2 GLN 27 1.823 1.994 -7.019 210 HB3 GLN 27 HB3 GLN 27 1.679 0.473 -7.903 211 HG2 GLN 27 HG2 GLN 27 0.328 -0.480 -6.045 212 HG3 GLN 27 HG3 GLN 27 0.480 1.035 -5.164 213 HE21 GLN 27 HE21 GLN 27 -1.458 2.090 -5.252 214 HE22 GLN 27 HE22 GLN 27 -2.448 2.242 -6.718 215 H PHE 28 H PHE 28 4.081 2.597 -5.417 216 HA PHE 28 HA PHE 28 4.018 2.021 -2.561 217 HB2 PHE 28 HB2 PHE 28 5.929 3.111 -3.162 218 HB3 PHE 28 HB3 PHE 28 5.089 4.249 -4.221 219 HD1 PHE 28 HD1 PHE 28 6.023 3.532 -0.719 220 HD2 PHE 28 HD2 PHE 28 3.982 6.253 -3.374 221 HE1 PHE 28 HE1 PHE 28 5.969 5.248 1.076 222 HE2 PHE 28 HE2 PHE 28 3.916 7.960 -1.575 223 HZ PHE 28 HZ PHE 28 4.916 7.464 0.653 224 H GLU 29 H GLU 29 2.035 4.075 -4.622 225 HA GLU 29 HA GLU 29 0.628 5.304 -2.431 226 HB2 GLU 29 HB2 GLU 29 0.806 6.497 -4.469 227 HB3 GLU 29 HB3 GLU 29 0.207 5.141 -5.414 228 HG2 GLU 29 HG2 GLU 29 -1.425 6.872 -5.381 229 HG3 GLU 29 HG3 GLU 29 -2.056 5.453 -4.566 230 H ARG 30 H ARG 30 -1.359 4.943 -1.580 231 HA ARG 30 HA ARG 30 -2.178 2.246 -1.237 232 HB2 ARG 30 HB2 ARG 30 -2.354 3.721 0.548 233 HB3 ARG 30 HB3 ARG 30 -3.205 4.937 -0.388 234 HG2 ARG 30 HG2 ARG 30 -4.550 3.845 1.348 235 HG3 ARG 30 HG3 ARG 30 -5.259 3.801 -0.276 236 HD2 ARG 30 HD2 ARG 30 -3.821 1.358 0.070 237 HD3 ARG 30 HD3 ARG 30 -4.635 1.642 1.591 238 HE ARG 30 HE ARG 30 -5.910 1.338 -1.106 239 HH11 ARG 30 HH11 ARG 30 -6.493 1.491 2.371 240 HH12 ARG 30 HH12 ARG 30 -8.173 1.067 2.139 241 HH21 ARG 30 HH21 ARG 30 -7.963 0.917 -1.271 242 HH22 ARG 30 HH22 ARG 30 -8.949 0.580 0.158 243 HA PRO 31 HA PRO 31 -4.483 1.994 -5.047 244 HB2 PRO 31 HB2 PRO 31 -5.287 -0.645 -4.942 245 HB3 PRO 31 HB3 PRO 31 -3.617 -0.116 -5.313 246 HG2 PRO 31 HG2 PRO 31 -4.724 -0.968 -2.605 247 HG3 PRO 31 HG3 PRO 31 -3.236 -1.542 -3.432 248 HD2 PRO 31 HD2 PRO 31 -3.123 0.371 -1.580 249 HD3 PRO 31 HD3 PRO 31 -2.139 0.519 -3.066 250 H SER 32 H SER 32 -6.522 2.235 -5.780 251 HA SER 32 HA SER 32 -8.834 1.896 -3.917 252 HB2 SER 32 HB2 SER 32 -9.942 3.595 -5.291 253 HB3 SER 32 HB3 SER 32 -8.422 4.189 -4.602 254 HG SER 32 HG SER 32 -8.637 4.721 -6.821 255 H GLY 33 H GLY 33 -7.467 0.520 -6.740 256 HA2 GLY 33 HA2 GLY 33 -9.318 -1.558 -7.055 257 HA3 GLY 33 HA3 GLY 33 -9.833 -0.298 -8.175 258 H1B XYP 101 H1 XYP 34 12.294 1.833 1.658 259 H2B XYP 101 H2 XYP 34 14.594 3.650 0.769 260 H3B XYP 101 H3 XYP 34 11.640 3.837 0.018 261 H4B XYP 101 H4 XYP 34 13.959 2.926 -1.755 262 H5B1 XYP 101 H5E XYP 34 12.872 0.688 -1.710 263 H5B2 XYP 101 H5A XYP 34 11.654 1.292 -0.573 264 HO2B XYP 101 H2O XYP 34 12.291 3.987 2.444 265 HO3B XYP 101 H3O XYP 34 12.962 5.793 0.026 266 HO4B XYP 101 H4O XYP 34 12.118 4.094 -2.665 Start of MODEL 3 1 H1 LYS 1 H1 LYS 1 -12.777 -2.417 3.666 2 H2 LYS 1 H2 LYS 1 -12.009 -3.459 2.667 3 H3 LYS 1 H3 LYS 1 -12.734 -2.120 2.060 4 HA LYS 1 HA LYS 1 -11.228 -0.672 3.193 5 HB2 LYS 1 HB2 LYS 1 -10.767 -1.938 5.160 6 HB3 LYS 1 HB3 LYS 1 -10.045 -3.255 4.247 7 HG2 LYS 1 HG2 LYS 1 -8.360 -1.949 5.414 8 HG3 LYS 1 HG3 LYS 1 -8.103 -1.887 3.678 9 HD2 LYS 1 HD2 LYS 1 -9.201 0.386 3.632 10 HD3 LYS 1 HD3 LYS 1 -9.332 0.324 5.393 11 HE2 LYS 1 HE2 LYS 1 -6.725 0.126 3.802 12 HE3 LYS 1 HE3 LYS 1 -7.357 1.619 4.507 13 HZ1 LYS 1 HZ1 LYS 1 -7.203 0.580 6.704 14 HZ2 LYS 1 HZ2 LYS 1 -6.578 -0.788 6.061 15 HZ3 LYS 1 HZ3 LYS 1 -5.743 0.613 5.981 16 H LEU 2 H LEU 2 -9.400 -3.565 2.046 17 HA LEU 2 HA LEU 2 -8.162 -1.852 0.010 18 HB2 LEU 2 HB2 LEU 2 -6.976 -3.257 1.815 19 HB3 LEU 2 HB3 LEU 2 -7.448 -4.669 0.858 20 HG LEU 2 HG LEU 2 -6.172 -3.620 -1.092 21 HD11 LEU 2 HD11 LEU 2 -6.048 -1.266 -0.279 22 HD12 LEU 2 HD12 LEU 2 -5.142 -1.804 1.146 23 HD13 LEU 2 HD13 LEU 2 -4.434 -1.957 -0.479 24 HD21 LEU 2 HD21 LEU 2 -4.643 -4.213 1.476 25 HD22 LEU 2 HD22 LEU 2 -5.266 -5.419 0.336 26 HD23 LEU 2 HD23 LEU 2 -3.982 -4.303 -0.179 27 HA PRO 3 HA PRO 3 -10.666 -3.718 -3.159 28 HB2 PRO 3 HB2 PRO 3 -9.227 -3.105 -5.454 29 HB3 PRO 3 HB3 PRO 3 -10.238 -1.950 -4.530 30 HG2 PRO 3 HG2 PRO 3 -7.244 -2.373 -4.337 31 HG3 PRO 3 HG3 PRO 3 -8.143 -0.836 -4.451 32 HD2 PRO 3 HD2 PRO 3 -7.264 -1.795 -2.090 33 HD3 PRO 3 HD3 PRO 3 -8.863 -0.995 -2.229 34 HA PRO 4 HA PRO 4 -9.545 -7.804 -3.998 35 HB2 PRO 4 HB2 PRO 4 -10.234 -7.419 -6.917 36 HB3 PRO 4 HB3 PRO 4 -10.731 -8.736 -5.803 37 HG2 PRO 4 HG2 PRO 4 -12.443 -6.716 -6.334 38 HG3 PRO 4 HG3 PRO 4 -12.234 -7.273 -4.637 39 HD2 PRO 4 HD2 PRO 4 -10.979 -4.875 -6.002 40 HD3 PRO 4 HD3 PRO 4 -11.756 -4.992 -4.392 41 H GLY 5 H GLY 5 -7.841 -9.077 -4.419 42 HA2 GLY 5 HA2 GLY 5 -5.903 -9.918 -5.328 43 HA3 GLY 5 HA3 GLY 5 -5.941 -8.669 -6.588 44 H TRP 6 H TRP 6 -6.034 -6.548 -4.280 45 HA TRP 6 HA TRP 6 -3.147 -6.259 -4.058 46 HB2 TRP 6 HB2 TRP 6 -5.421 -4.587 -3.005 47 HB3 TRP 6 HB3 TRP 6 -3.725 -4.198 -2.770 48 HD1 TRP 6 HD1 TRP 6 -6.455 -4.127 -5.347 49 HE1 TRP 6 HE1 TRP 6 -5.706 -2.800 -7.417 50 HE3 TRP 6 HE3 TRP 6 -1.467 -3.838 -4.306 51 HZ2 TRP 6 HZ2 TRP 6 -3.177 -2.049 -8.634 52 HZ3 TRP 6 HZ3 TRP 6 0.119 -2.864 -5.983 53 HH2 TRP 6 HH2 TRP 6 -0.728 -1.990 -8.140 54 H GLU 7 H GLU 7 -1.877 -6.110 -2.267 55 HA GLU 7 HA GLU 7 -2.870 -6.762 0.422 56 HB2 GLU 7 HB2 GLU 7 -2.354 -8.966 -0.501 57 HB3 GLU 7 HB3 GLU 7 -0.859 -8.377 -1.191 58 HG2 GLU 7 HG2 GLU 7 -0.396 -9.818 0.659 59 HG3 GLU 7 HG3 GLU 7 0.197 -8.201 0.973 60 H LYS 8 H LYS 8 -1.587 -5.903 2.074 61 HA LYS 8 HA LYS 8 0.321 -3.812 1.305 62 HB2 LYS 8 HB2 LYS 8 -0.828 -4.716 3.949 63 HB3 LYS 8 HB3 LYS 8 0.602 -3.667 3.889 64 HG2 LYS 8 HG2 LYS 8 -0.566 -2.058 2.464 65 HG3 LYS 8 HG3 LYS 8 -2.007 -3.094 2.459 66 HD2 LYS 8 HD2 LYS 8 -2.454 -1.362 4.020 67 HD3 LYS 8 HD3 LYS 8 -2.062 -2.780 5.013 68 HE2 LYS 8 HE2 LYS 8 0.291 -1.926 5.227 69 HE3 LYS 8 HE3 LYS 8 -0.144 -0.528 4.232 70 HZ1 LYS 8 HZ1 LYS 8 -0.240 -0.007 6.605 71 HZ2 LYS 8 HZ2 LYS 8 -1.732 0.123 5.955 72 HZ3 LYS 8 HZ3 LYS 8 -1.346 -1.176 6.872 73 H ARG 9 H ARG 9 2.397 -3.743 1.449 74 HA ARG 9 HA ARG 9 4.007 -5.995 2.600 75 HB2 ARG 9 HB2 ARG 9 4.709 -4.537 0.037 76 HB3 ARG 9 HB3 ARG 9 5.595 -5.877 0.754 77 HG2 ARG 9 HG2 ARG 9 2.933 -5.922 -0.593 78 HG3 ARG 9 HG3 ARG 9 4.449 -6.604 -1.202 79 HD2 ARG 9 HD2 ARG 9 2.572 -7.686 0.896 80 HD3 ARG 9 HD3 ARG 9 3.158 -8.450 -0.574 81 HE ARG 9 HE ARG 9 5.340 -8.762 0.463 82 HH11 ARG 9 HH11 ARG 9 2.777 -8.000 2.780 83 HH12 ARG 9 HH12 ARG 9 3.584 -8.895 4.044 84 HH21 ARG 9 HH21 ARG 9 6.313 -9.770 2.162 85 HH22 ARG 9 HH22 ARG 9 5.528 -9.823 3.716 86 H MET 10 H MET 10 6.318 -5.330 2.561 87 HA MET 10 HA MET 10 6.916 -2.538 3.090 88 HB2 MET 10 HB2 MET 10 5.817 -3.295 5.244 89 HB3 MET 10 HB3 MET 10 7.173 -4.422 5.463 90 HG2 MET 10 HG2 MET 10 8.731 -2.440 5.420 91 HG3 MET 10 HG3 MET 10 7.315 -1.388 5.246 92 HE1 MET 10 HE1 MET 10 9.573 -3.491 7.552 93 HE2 MET 10 HE2 MET 10 8.634 -3.657 9.052 94 HE3 MET 10 HE3 MET 10 8.142 -4.549 7.598 95 H PHE 11 H PHE 11 8.990 -2.060 2.773 96 HA PHE 11 HA PHE 11 10.944 -4.064 2.022 97 HB2 PHE 11 HB2 PHE 11 11.024 -1.058 2.240 98 HB3 PHE 11 HB3 PHE 11 12.450 -2.018 1.843 99 HD1 PHE 11 HD1 PHE 11 12.386 -3.595 -0.180 100 HD2 PHE 11 HD2 PHE 11 9.491 -0.469 0.492 101 HE1 PHE 11 HE1 PHE 11 11.778 -3.634 -2.589 102 HE2 PHE 11 HE2 PHE 11 8.898 -0.500 -1.917 103 HZ PHE 11 HZ PHE 11 10.037 -2.085 -3.460 104 H ALA 12 H ALA 12 13.134 -4.243 2.861 105 HA ALA 12 HA ALA 12 13.220 -4.838 5.634 106 HB1 ALA 12 HB1 ALA 12 14.642 -5.883 3.906 107 HB2 ALA 12 HB2 ALA 12 15.491 -4.337 3.655 108 HB3 ALA 12 HB3 ALA 12 15.627 -5.189 5.209 109 H ASN 13 H ASN 13 13.799 -1.781 4.029 110 HA ASN 13 HA ASN 13 15.111 -0.535 6.346 111 HB2 ASN 13 HB2 ASN 13 15.190 1.463 4.952 112 HB3 ASN 13 HB3 ASN 13 15.805 0.047 4.090 113 HD21 ASN 13 HD21 ASN 13 15.515 1.257 2.168 114 H GLY 14 H GLY 14 11.929 -1.382 5.887 115 HA2 GLY 14 HA2 GLY 14 10.177 -0.892 7.332 116 HA3 GLY 14 HA3 GLY 14 10.990 0.581 7.884 117 H THR 15 H THR 15 10.667 0.222 4.407 118 HA THR 15 HA THR 15 8.667 2.413 4.322 119 HB THR 15 HB THR 15 10.326 1.075 2.150 120 HG1 THR 15 HG1 THR 15 11.657 2.181 3.320 121 HG21 THR 15 HG21 THR 15 8.356 2.032 1.123 122 HG22 THR 15 HG22 THR 15 8.571 3.551 2.035 123 HG23 THR 15 HG23 THR 15 9.753 3.063 0.792 124 H VAL 16 H VAL 16 6.554 2.057 3.896 125 HA VAL 16 HA VAL 16 5.623 -0.702 3.337 126 HB VAL 16 HB VAL 16 4.257 1.841 4.288 127 HG11 VAL 16 HG11 VAL 16 2.988 -0.894 3.865 128 HG12 VAL 16 HG12 VAL 16 2.250 0.471 4.729 129 HG13 VAL 16 HG13 VAL 16 2.577 0.609 3.004 130 HG21 VAL 16 HG21 VAL 16 3.966 0.576 6.384 131 HG22 VAL 16 HG22 VAL 16 4.796 -0.823 5.673 132 HG23 VAL 16 HG23 VAL 16 5.679 0.690 5.967 133 H TYR 17 H TYR 17 4.376 -1.280 1.608 134 HA TYR 17 HA TYR 17 3.510 0.639 -0.441 135 HB2 TYR 17 HB2 TYR 17 4.817 -0.256 -2.233 136 HB3 TYR 17 HB3 TYR 17 5.939 0.214 -0.964 137 HD1 TYR 17 HD1 TYR 17 7.042 -1.566 0.458 138 HD2 TYR 17 HD2 TYR 17 4.725 -2.503 -3.066 139 HE1 TYR 17 HE1 TYR 17 8.185 -3.772 0.282 140 HE2 TYR 17 HE2 TYR 17 5.849 -4.718 -3.217 141 HH TYR 17 HH TYR 17 8.428 -5.682 -0.937 142 H TYR 18 H TYR 18 2.696 -0.846 -2.390 143 HA TYR 18 HA TYR 18 0.983 -2.983 -1.227 144 HB2 TYR 18 HB2 TYR 18 0.276 -0.794 -3.200 145 HB3 TYR 18 HB3 TYR 18 -0.765 -2.161 -2.778 146 HD1 TYR 18 HD1 TYR 18 0.813 0.937 -1.483 147 HD2 TYR 18 HD2 TYR 18 -1.935 -2.287 -0.665 148 HE1 TYR 18 HE1 TYR 18 0.082 2.102 0.572 149 HE2 TYR 18 HE2 TYR 18 -2.753 -1.068 1.337 150 HH TYR 18 HH TYR 18 -1.320 2.040 2.389 151 H PHE 19 H PHE 19 0.556 -4.792 -2.322 152 HA PHE 19 HA PHE 19 1.768 -5.182 -5.004 153 HB2 PHE 19 HB2 PHE 19 3.403 -6.028 -3.566 154 HB3 PHE 19 HB3 PHE 19 2.188 -6.805 -2.536 155 HD1 PHE 19 HD1 PHE 19 3.835 -7.018 -5.858 156 HD2 PHE 19 HD2 PHE 19 1.443 -9.048 -2.888 157 HE1 PHE 19 HE1 PHE 19 4.200 -9.170 -7.033 158 HE2 PHE 19 HE2 PHE 19 1.871 -11.204 -4.030 159 HZ PHE 19 HZ PHE 19 3.228 -11.274 -6.116 160 H ASN 20 H ASN 20 0.635 -6.204 -6.505 161 HA ASN 20 HA ASN 20 -2.034 -7.271 -5.752 162 HB2 ASN 20 HB2 ASN 20 -1.815 -5.549 -7.538 163 HB3 ASN 20 HB3 ASN 20 -0.862 -6.699 -8.496 164 HD21 ASN 20 HD21 ASN 20 -3.616 -5.406 -8.869 165 HD22 ASN 20 HD22 ASN 20 -4.653 -6.794 -9.201 166 H HIS 21 H HIS 21 -1.936 -9.369 -5.122 167 HA HIS 21 HA HIS 21 0.273 -11.085 -5.882 168 HB2 HIS 21 HB2 HIS 21 -0.405 -12.429 -4.213 169 HB3 HIS 21 HB3 HIS 21 -1.293 -10.998 -3.703 170 HD2 HIS 21 HD2 HIS 21 -3.995 -10.995 -4.193 171 HE1 HIS 21 HE1 HIS 21 -4.384 -15.140 -5.055 172 HE2 HIS 21 HE2 HIS 21 -5.655 -13.015 -4.498 173 H ILE 22 H ILE 22 -2.794 -10.494 -7.364 174 HA ILE 22 HA ILE 22 -2.988 -13.056 -8.717 175 HB ILE 22 HB ILE 22 -4.504 -10.442 -9.123 176 HG12 ILE 22 HG12 ILE 22 -5.060 -12.966 -7.486 177 HG13 ILE 22 HG13 ILE 22 -4.794 -11.324 -6.871 178 HG21 ILE 22 HG21 ILE 22 -6.176 -11.817 -10.309 179 HG22 ILE 22 HG22 ILE 22 -4.631 -11.875 -11.132 180 HG23 ILE 22 HG23 ILE 22 -5.138 -13.252 -10.126 181 HD11 ILE 22 HD11 ILE 22 -6.937 -10.613 -7.938 182 HD12 ILE 22 HD12 ILE 22 -7.244 -12.327 -8.336 183 HD13 ILE 22 HD13 ILE 22 -7.091 -11.828 -6.646 184 H THR 23 H THR 23 -1.954 -9.768 -9.533 185 HA THR 23 HA THR 23 -1.159 -10.570 -12.281 186 HB THR 23 HB THR 23 -1.394 -8.333 -12.944 187 HG1 THR 23 HG1 THR 23 -2.188 -6.987 -10.963 188 HG21 THR 23 HG21 THR 23 -3.653 -8.718 -10.929 189 HG22 THR 23 HG22 THR 23 -3.660 -7.723 -12.400 190 HG23 THR 23 HG23 THR 23 -3.588 -9.490 -12.529 191 H ASN 24 H ASN 24 0.368 -10.008 -9.363 192 HA ASN 24 HA ASN 24 2.409 -9.647 -8.633 193 HB2 ASN 24 HB2 ASN 24 3.383 -10.345 -11.420 194 HB3 ASN 24 HB3 ASN 24 4.394 -10.210 -9.976 195 HD21 ASN 24 HD21 ASN 24 2.809 -12.445 -11.866 196 HD22 ASN 24 HD22 ASN 24 2.678 -13.718 -10.647 197 H ALA 25 H ALA 25 0.863 -7.384 -10.181 198 HA ALA 25 HA ALA 25 2.921 -5.394 -10.661 199 HB1 ALA 25 HB1 ALA 25 1.033 -3.833 -10.722 200 HB2 ALA 25 HB2 ALA 25 0.654 -5.292 -11.656 201 HB3 ALA 25 HB3 ALA 25 -0.043 -5.064 -10.035 202 H SER 26 H SER 26 3.269 -3.439 -9.351 203 HA SER 26 HA SER 26 2.428 -3.449 -6.558 204 HB2 SER 26 HB2 SER 26 4.692 -3.259 -5.613 205 HB3 SER 26 HB3 SER 26 4.391 -4.840 -6.334 206 HG SER 26 HG SER 26 6.432 -4.018 -6.927 207 H GLN 27 H GLN 27 2.697 -1.500 -5.448 208 HA GLN 27 HA GLN 27 3.811 0.851 -6.787 209 HB2 GLN 27 HB2 GLN 27 1.761 2.084 -7.007 210 HB3 GLN 27 HB3 GLN 27 1.596 0.564 -7.889 211 HG2 GLN 27 HG2 GLN 27 0.256 -0.372 -6.005 212 HG3 GLN 27 HG3 GLN 27 0.420 1.152 -5.143 213 HE21 GLN 27 HE21 GLN 27 -1.520 2.207 -5.228 214 HE22 GLN 27 HE22 GLN 27 -2.515 2.350 -6.692 215 H PHE 28 H PHE 28 3.959 2.703 -5.399 216 HA PHE 28 HA PHE 28 3.940 2.065 -2.549 217 HB2 PHE 28 HB2 PHE 28 5.854 3.148 -3.143 218 HB3 PHE 28 HB3 PHE 28 5.016 4.317 -4.170 219 HD1 PHE 28 HD1 PHE 28 5.929 3.495 -0.678 220 HD2 PHE 28 HD2 PHE 28 3.967 6.324 -3.280 221 HE1 PHE 28 HE1 PHE 28 5.896 5.166 1.159 222 HE2 PHE 28 HE2 PHE 28 3.925 7.988 -1.439 223 HZ PHE 28 HZ PHE 28 4.894 7.414 0.784 224 H GLU 29 H GLU 29 1.966 4.205 -4.533 225 HA GLU 29 HA GLU 29 0.581 5.381 -2.282 226 HB2 GLU 29 HB2 GLU 29 0.863 6.537 -4.390 227 HB3 GLU 29 HB3 GLU 29 -0.073 5.298 -5.249 228 HG2 GLU 29 HG2 GLU 29 -2.095 5.905 -4.011 229 HG3 GLU 29 HG3 GLU 29 -1.180 7.038 -3.008 230 H ARG 30 H ARG 30 -1.401 4.927 -1.384 231 HA ARG 30 HA ARG 30 -2.194 2.223 -1.254 232 HB2 ARG 30 HB2 ARG 30 -2.393 3.691 0.584 233 HB3 ARG 30 HB3 ARG 30 -3.494 4.772 -0.259 234 HG2 ARG 30 HG2 ARG 30 -4.251 1.871 0.222 235 HG3 ARG 30 HG3 ARG 30 -4.384 3.060 1.525 236 HD2 ARG 30 HD2 ARG 30 -6.235 4.014 0.694 237 HD3 ARG 30 HD3 ARG 30 -5.591 4.101 -0.929 238 HE ARG 30 HE ARG 30 -6.417 1.949 -1.462 239 HH11 ARG 30 HH11 ARG 30 -7.506 2.830 1.779 240 HH12 ARG 30 HH12 ARG 30 -8.887 1.763 1.639 241 HH21 ARG 30 HH21 ARG 30 -8.124 0.741 -1.534 242 HH22 ARG 30 HH22 ARG 30 -9.155 0.491 -0.117 243 HA PRO 31 HA PRO 31 -4.441 2.012 -5.033 244 HB2 PRO 31 HB2 PRO 31 -5.361 -0.570 -4.968 245 HB3 PRO 31 HB3 PRO 31 -3.638 -0.120 -5.153 246 HG2 PRO 31 HG2 PRO 31 -5.060 -0.898 -2.588 247 HG3 PRO 31 HG3 PRO 31 -3.518 -1.541 -3.244 248 HD2 PRO 31 HD2 PRO 31 -3.557 0.423 -1.391 249 HD3 PRO 31 HD3 PRO 31 -2.367 0.446 -2.732 250 H SER 32 H SER 32 -6.339 2.773 -5.707 251 HA SER 32 HA SER 32 -8.785 2.576 -4.064 252 HB2 SER 32 HB2 SER 32 -9.706 4.129 -5.737 253 HB3 SER 32 HB3 SER 32 -8.204 4.725 -5.012 254 HG SER 32 HG SER 32 -8.230 4.973 -7.291 255 H GLY 33 H GLY 33 -7.415 0.952 -6.822 256 HA2 GLY 33 HA2 GLY 33 -9.286 -1.152 -6.947 257 HA3 GLY 33 HA3 GLY 33 -9.803 0.038 -8.138 258 H1B XYP 101 H1 XYP 34 12.794 2.057 1.401 259 H2B XYP 101 H2 XYP 34 15.472 2.319 -0.082 260 H3B XYP 101 H3 XYP 34 12.752 3.560 -0.732 261 H4B XYP 101 H4 XYP 34 14.282 1.376 -2.235 262 H5B1 XYP 101 H5E XYP 34 12.500 -0.161 -1.522 263 H5B2 XYP 101 H5A XYP 34 11.681 1.139 -0.631 264 HO2B XYP 101 H2O XYP 34 15.046 4.586 0.413 265 HO3B XYP 101 H3O XYP 34 13.952 4.085 -2.707 266 HO4B XYP 101 H4O XYP 34 12.367 1.407 -3.522 Start of MODEL 4 1 H1 LYS 1 H1 LYS 1 -12.529 -1.953 2.274 2 H2 LYS 1 H2 LYS 1 -12.365 -1.893 3.899 3 H3 LYS 1 H3 LYS 1 -11.573 -3.041 3.043 4 HA LYS 1 HA LYS 1 -11.115 -0.134 2.886 5 HB2 LYS 1 HB2 LYS 1 -10.285 -1.000 5.005 6 HB3 LYS 1 HB3 LYS 1 -9.391 -2.279 4.181 7 HG2 LYS 1 HG2 LYS 1 -8.004 -0.493 3.030 8 HG3 LYS 1 HG3 LYS 1 -8.870 0.722 3.986 9 HD2 LYS 1 HD2 LYS 1 -7.986 -0.285 6.069 10 HD3 LYS 1 HD3 LYS 1 -7.265 -1.606 5.141 11 HE2 LYS 1 HE2 LYS 1 -5.502 -0.088 5.663 12 HE3 LYS 1 HE3 LYS 1 -5.822 0.030 3.928 13 HZ1 LYS 1 HZ1 LYS 1 -7.095 2.072 4.391 14 HZ2 LYS 1 HZ2 LYS 1 -6.800 1.938 5.993 15 HZ3 LYS 1 HZ3 LYS 1 -5.572 2.222 4.958 16 H LEU 2 H LEU 2 -9.151 -3.059 2.124 17 HA LEU 2 HA LEU 2 -8.006 -1.632 -0.109 18 HB2 LEU 2 HB2 LEU 2 -6.844 -3.003 1.702 19 HB3 LEU 2 HB3 LEU 2 -7.425 -4.448 0.857 20 HG LEU 2 HG LEU 2 -6.111 -3.669 -1.153 21 HD11 LEU 2 HD11 LEU 2 -4.347 -1.955 -0.744 22 HD12 LEU 2 HD12 LEU 2 -5.949 -1.234 -0.632 23 HD13 LEU 2 HD13 LEU 2 -5.054 -1.608 0.853 24 HD21 LEU 2 HD21 LEU 2 -3.916 -4.252 -0.223 25 HD22 LEU 2 HD22 LEU 2 -4.524 -3.966 1.428 26 HD23 LEU 2 HD23 LEU 2 -5.184 -5.295 0.453 27 HA PRO 3 HA PRO 3 -10.544 -3.534 -3.212 28 HB2 PRO 3 HB2 PRO 3 -8.385 -3.370 -5.236 29 HB3 PRO 3 HB3 PRO 3 -9.968 -2.543 -5.198 30 HG2 PRO 3 HG2 PRO 3 -7.598 -1.228 -4.732 31 HG3 PRO 3 HG3 PRO 3 -9.132 -0.777 -3.918 32 HD2 PRO 3 HD2 PRO 3 -6.866 -2.472 -2.831 33 HD3 PRO 3 HD3 PRO 3 -7.780 -1.151 -2.062 34 HA PRO 4 HA PRO 4 -9.597 -7.872 -3.763 35 HB2 PRO 4 HB2 PRO 4 -10.461 -7.549 -6.639 36 HB3 PRO 4 HB3 PRO 4 -10.935 -8.806 -5.450 37 HG2 PRO 4 HG2 PRO 4 -12.616 -6.757 -5.988 38 HG3 PRO 4 HG3 PRO 4 -12.356 -7.267 -4.286 39 HD2 PRO 4 HD2 PRO 4 -11.080 -4.948 -5.768 40 HD3 PRO 4 HD3 PRO 4 -11.809 -4.989 -4.130 41 H GLY 5 H GLY 5 -7.869 -9.122 -4.319 42 HA2 GLY 5 HA2 GLY 5 -5.962 -9.874 -5.321 43 HA3 GLY 5 HA3 GLY 5 -6.178 -8.693 -6.628 44 H TRP 6 H TRP 6 -6.139 -6.562 -4.235 45 HA TRP 6 HA TRP 6 -3.198 -6.255 -4.160 46 HB2 TRP 6 HB2 TRP 6 -5.436 -4.485 -3.181 47 HB3 TRP 6 HB3 TRP 6 -3.733 -4.148 -2.924 48 HD1 TRP 6 HD1 TRP 6 -6.386 -4.193 -5.602 49 HE1 TRP 6 HE1 TRP 6 -5.607 -2.910 -7.688 50 HE3 TRP 6 HE3 TRP 6 -1.465 -3.612 -4.353 51 HZ2 TRP 6 HZ2 TRP 6 -3.103 -1.945 -8.757 52 HZ3 TRP 6 HZ3 TRP 6 0.113 -2.481 -5.947 53 HH2 TRP 6 HH2 TRP 6 -0.696 -1.673 -8.138 54 H GLU 7 H GLU 7 -1.933 -6.256 -2.374 55 HA GLU 7 HA GLU 7 -3.052 -6.754 0.324 56 HB2 GLU 7 HB2 GLU 7 -0.886 -8.364 -1.093 57 HB3 GLU 7 HB3 GLU 7 -1.064 -8.353 0.658 58 HG2 GLU 7 HG2 GLU 7 -3.153 -9.316 -1.343 59 HG3 GLU 7 HG3 GLU 7 -2.060 -10.329 -0.419 60 H LYS 8 H LYS 8 -1.743 -5.929 2.018 61 HA LYS 8 HA LYS 8 0.093 -3.768 1.251 62 HB2 LYS 8 HB2 LYS 8 -0.956 -4.741 3.911 63 HB3 LYS 8 HB3 LYS 8 0.438 -3.644 3.815 64 HG2 LYS 8 HG2 LYS 8 -0.830 -2.068 2.430 65 HG3 LYS 8 HG3 LYS 8 -2.236 -3.148 2.462 66 HD2 LYS 8 HD2 LYS 8 -2.686 -1.420 4.015 67 HD3 LYS 8 HD3 LYS 8 -2.266 -2.837 4.999 68 HE2 LYS 8 HE2 LYS 8 0.079 -1.956 5.204 69 HE3 LYS 8 HE3 LYS 8 -0.381 -0.555 4.226 70 HZ1 LYS 8 HZ1 LYS 8 -0.466 -0.061 6.606 71 HZ2 LYS 8 HZ2 LYS 8 -1.962 0.062 5.967 72 HZ3 LYS 8 HZ3 LYS 8 -1.559 -1.244 6.867 73 H ARG 9 H ARG 9 2.213 -3.582 1.618 74 HA ARG 9 HA ARG 9 3.871 -5.995 2.180 75 HB2 ARG 9 HB2 ARG 9 3.080 -5.695 -0.308 76 HB3 ARG 9 HB3 ARG 9 4.179 -4.331 -0.354 77 HG2 ARG 9 HG2 ARG 9 5.226 -6.250 -1.341 78 HG3 ARG 9 HG3 ARG 9 6.069 -5.911 0.184 79 HD2 ARG 9 HD2 ARG 9 4.744 -7.736 1.270 80 HD3 ARG 9 HD3 ARG 9 3.949 -8.066 -0.279 81 HE ARG 9 HE ARG 9 6.707 -8.725 0.543 82 HH11 ARG 9 HH11 ARG 9 4.534 -8.614 -2.221 83 HH12 ARG 9 HH12 ARG 9 5.525 -9.705 -3.140 84 HH21 ARG 9 HH21 ARG 9 7.914 -10.088 -0.703 85 HH22 ARG 9 HH22 ARG 9 7.380 -10.508 -2.307 86 H MET 10 H MET 10 6.261 -5.419 2.224 87 HA MET 10 HA MET 10 6.862 -2.615 2.874 88 HB2 MET 10 HB2 MET 10 5.778 -3.546 4.928 89 HB3 MET 10 HB3 MET 10 7.038 -4.794 4.987 90 HG2 MET 10 HG2 MET 10 8.732 -2.890 5.133 91 HG3 MET 10 HG3 MET 10 7.360 -1.793 5.359 92 HE1 MET 10 HE1 MET 10 5.962 -1.627 7.633 93 HE2 MET 10 HE2 MET 10 5.359 -3.259 7.247 94 HE3 MET 10 HE3 MET 10 5.986 -2.898 8.870 95 H PHE 11 H PHE 11 8.911 -2.086 2.596 96 HA PHE 11 HA PHE 11 10.867 -3.937 1.547 97 HB2 PHE 11 HB2 PHE 11 10.920 -0.990 2.192 98 HB3 PHE 11 HB3 PHE 11 12.346 -1.861 1.627 99 HD1 PHE 11 HD1 PHE 11 12.249 -3.134 -0.599 100 HD2 PHE 11 HD2 PHE 11 9.339 -0.177 0.583 101 HE1 PHE 11 HE1 PHE 11 11.582 -2.833 -2.974 102 HE2 PHE 11 HE2 PHE 11 8.689 0.133 -1.792 103 HZ PHE 11 HZ PHE 11 9.805 -1.197 -3.573 104 H ALA 12 H ALA 12 13.078 -4.208 2.285 105 HA ALA 12 HA ALA 12 13.281 -5.160 4.951 106 HB1 ALA 12 HB1 ALA 12 14.655 -5.937 3.051 107 HB2 ALA 12 HB2 ALA 12 15.466 -4.354 2.976 108 HB3 ALA 12 HB3 ALA 12 15.675 -5.399 4.397 109 H ASN 13 H ASN 13 13.740 -1.906 3.742 110 HA ASN 13 HA ASN 13 15.121 -0.951 6.157 111 HB2 ASN 13 HB2 ASN 13 15.168 1.195 5.036 112 HB3 ASN 13 HB3 ASN 13 15.717 -0.087 3.948 113 HD21 ASN 13 HD21 ASN 13 15.344 1.321 2.197 114 H GLY 14 H GLY 14 11.927 -1.765 5.678 115 HA2 GLY 14 HA2 GLY 14 10.222 -1.495 7.235 116 HA3 GLY 14 HA3 GLY 14 11.034 -0.091 7.942 117 H THR 15 H THR 15 10.615 0.022 4.469 118 HA THR 15 HA THR 15 8.582 2.170 4.732 119 HB THR 15 HB THR 15 10.229 1.154 2.382 120 HG1 THR 15 HG1 THR 15 11.533 2.152 3.674 121 HG21 THR 15 HG21 THR 15 8.414 3.584 2.558 122 HG22 THR 15 HG22 THR 15 9.599 3.263 1.264 123 HG23 THR 15 HG23 THR 15 8.226 2.175 1.480 124 H VAL 16 H VAL 16 6.465 1.910 4.191 125 HA VAL 16 HA VAL 16 5.531 -0.777 3.368 126 HB VAL 16 HB VAL 16 4.148 1.670 4.527 127 HG11 VAL 16 HG11 VAL 16 2.142 0.238 4.814 128 HG12 VAL 16 HG12 VAL 16 2.485 0.568 3.119 129 HG13 VAL 16 HG13 VAL 16 2.904 -1.017 3.813 130 HG21 VAL 16 HG21 VAL 16 3.821 0.204 6.486 131 HG22 VAL 16 HG22 VAL 16 4.664 -1.117 5.650 132 HG23 VAL 16 HG23 VAL 16 5.543 0.361 6.113 133 H TYR 17 H TYR 17 4.287 -1.199 1.629 134 HA TYR 17 HA TYR 17 3.318 0.849 -0.225 135 HB2 TYR 17 HB2 TYR 17 4.553 0.098 -2.139 136 HB3 TYR 17 HB3 TYR 17 5.713 0.540 -0.897 137 HD1 TYR 17 HD1 TYR 17 6.907 -1.314 0.406 138 HD2 TYR 17 HD2 TYR 17 4.568 -2.050 -3.147 139 HE1 TYR 17 HE1 TYR 17 8.163 -3.426 0.003 140 HE2 TYR 17 HE2 TYR 17 5.785 -4.188 -3.509 141 HH TYR 17 HH TYR 17 8.516 -5.167 -1.417 142 H TYR 18 H TYR 18 2.530 -0.642 -2.288 143 HA TYR 18 HA TYR 18 0.876 -2.835 -1.133 144 HB2 TYR 18 HB2 TYR 18 0.133 -0.742 -3.199 145 HB3 TYR 18 HB3 TYR 18 -0.864 -2.118 -2.710 146 HD1 TYR 18 HD1 TYR 18 0.557 1.120 -1.595 147 HD2 TYR 18 HD2 TYR 18 -1.977 -2.218 -0.569 148 HE1 TYR 18 HE1 TYR 18 -0.261 2.366 0.379 149 HE2 TYR 18 HE2 TYR 18 -2.883 -0.934 1.344 150 HH TYR 18 HH TYR 18 -1.663 2.327 2.200 151 H PHE 19 H PHE 19 0.537 -4.663 -2.208 152 HA PHE 19 HA PHE 19 1.938 -5.112 -4.784 153 HB2 PHE 19 HB2 PHE 19 3.467 -5.909 -3.241 154 HB3 PHE 19 HB3 PHE 19 2.201 -6.610 -2.221 155 HD1 PHE 19 HD1 PHE 19 3.958 -7.037 -5.477 156 HD2 PHE 19 HD2 PHE 19 1.529 -8.888 -2.434 157 HE1 PHE 19 HE1 PHE 19 4.371 -9.253 -6.502 158 HE2 PHE 19 HE2 PHE 19 2.006 -11.111 -3.418 159 HZ PHE 19 HZ PHE 19 3.403 -11.302 -5.468 160 H ASN 20 H ASN 20 0.905 -6.173 -6.353 161 HA ASN 20 HA ASN 20 -1.826 -7.182 -5.723 162 HB2 ASN 20 HB2 ASN 20 -1.461 -5.528 -7.563 163 HB3 ASN 20 HB3 ASN 20 -0.506 -6.758 -8.421 164 HD21 ASN 20 HD21 ASN 20 -3.297 -5.388 -8.819 165 HD22 ASN 20 HD22 ASN 20 -4.308 -6.781 -9.204 166 H HIS 21 H HIS 21 -1.665 -9.237 -4.890 167 HA HIS 21 HA HIS 21 0.511 -10.987 -5.690 168 HB2 HIS 21 HB2 HIS 21 -0.034 -12.318 -3.951 169 HB3 HIS 21 HB3 HIS 21 -0.703 -10.790 -3.380 170 HD2 HIS 21 HD2 HIS 21 -3.524 -10.571 -4.043 171 HE1 HIS 21 HE1 HIS 21 -4.176 -14.754 -3.547 172 HE2 HIS 21 HE2 HIS 21 -5.314 -12.481 -3.683 173 H ILE 22 H ILE 22 -2.497 -10.407 -7.178 174 HA ILE 22 HA ILE 22 -2.791 -13.045 -8.396 175 HB ILE 22 HB ILE 22 -4.037 -10.389 -9.197 176 HG12 ILE 22 HG12 ILE 22 -4.612 -10.797 -6.867 177 HG13 ILE 22 HG13 ILE 22 -6.015 -10.958 -7.926 178 HG21 ILE 22 HG21 ILE 22 -4.252 -11.984 -10.963 179 HG22 ILE 22 HG22 ILE 22 -4.794 -13.252 -9.843 180 HG23 ILE 22 HG23 ILE 22 -5.822 -11.834 -10.168 181 HD11 ILE 22 HD11 ILE 22 -5.884 -13.426 -7.750 182 HD12 ILE 22 HD12 ILE 22 -4.449 -13.275 -6.706 183 HD13 ILE 22 HD13 ILE 22 -6.020 -12.654 -6.163 184 H THR 23 H THR 23 -1.510 -9.849 -9.289 185 HA THR 23 HA THR 23 -0.630 -10.846 -11.947 186 HB THR 23 HB THR 23 -0.914 -8.700 -12.824 187 HG1 THR 23 HG1 THR 23 -1.697 -7.068 -11.219 188 HG21 THR 23 HG21 THR 23 -3.232 -8.912 -10.861 189 HG22 THR 23 HG22 THR 23 -3.207 -8.123 -12.449 190 HG23 THR 23 HG23 THR 23 -3.090 -9.888 -12.342 191 H ASN 24 H ASN 24 0.784 -9.996 -9.051 192 HA ASN 24 HA ASN 24 2.781 -9.489 -8.295 193 HB2 ASN 24 HB2 ASN 24 3.891 -10.309 -10.997 194 HB3 ASN 24 HB3 ASN 24 4.835 -10.036 -9.527 195 HD21 ASN 24 HD21 ASN 24 3.519 -12.470 -11.340 196 HD22 ASN 24 HD22 ASN 24 3.370 -13.669 -10.050 197 H ALA 25 H ALA 25 1.144 -7.414 -9.936 198 HA ALA 25 HA ALA 25 3.071 -5.320 -10.495 199 HB1 ALA 25 HB1 ALA 25 0.118 -5.072 -9.787 200 HB2 ALA 25 HB2 ALA 25 1.131 -3.860 -10.581 201 HB3 ALA 25 HB3 ALA 25 0.757 -5.376 -11.422 202 H SER 26 H SER 26 3.082 -3.223 -9.228 203 HA SER 26 HA SER 26 2.532 -3.361 -6.367 204 HB2 SER 26 HB2 SER 26 5.392 -3.249 -7.383 205 HB3 SER 26 HB3 SER 26 4.918 -2.697 -5.764 206 HG SER 26 HG SER 26 4.015 -5.190 -6.611 207 H GLN 27 H GLN 27 2.567 -1.380 -5.291 208 HA GLN 27 HA GLN 27 3.201 1.089 -6.781 209 HB2 GLN 27 HB2 GLN 27 0.774 0.228 -7.321 210 HB3 GLN 27 HB3 GLN 27 0.387 0.740 -5.669 211 HG2 GLN 27 HG2 GLN 27 1.115 3.017 -6.204 212 HG3 GLN 27 HG3 GLN 27 1.575 2.500 -7.836 213 HE21 GLN 27 HE21 GLN 27 -1.295 2.580 -5.625 214 HE22 GLN 27 HE22 GLN 27 -2.458 2.753 -6.954 215 H PHE 28 H PHE 28 3.889 2.692 -5.383 216 HA PHE 28 HA PHE 28 3.784 2.270 -2.497 217 HB2 PHE 28 HB2 PHE 28 5.745 3.264 -3.070 218 HB3 PHE 28 HB3 PHE 28 5.001 4.320 -4.279 219 HD1 PHE 28 HD1 PHE 28 5.767 3.952 -0.674 220 HD2 PHE 28 HD2 PHE 28 3.871 6.394 -3.686 221 HE1 PHE 28 HE1 PHE 28 5.619 5.839 0.937 222 HE2 PHE 28 HE2 PHE 28 3.687 8.258 -2.072 223 HZ PHE 28 HZ PHE 28 4.578 7.992 0.248 224 H GLU 29 H GLU 29 2.018 4.315 -4.697 225 HA GLU 29 HA GLU 29 0.385 5.675 -2.766 226 HB2 GLU 29 HB2 GLU 29 0.784 6.467 -5.024 227 HB3 GLU 29 HB3 GLU 29 0.008 5.012 -5.709 228 HG2 GLU 29 HG2 GLU 29 -2.156 5.687 -4.784 229 HG3 GLU 29 HG3 GLU 29 -1.412 7.053 -3.943 230 H ARG 30 H ARG 30 -1.571 5.175 -1.876 231 HA ARG 30 HA ARG 30 -2.290 2.460 -1.537 232 HB2 ARG 30 HB2 ARG 30 -2.608 4.061 0.171 233 HB3 ARG 30 HB3 ARG 30 -3.702 5.037 -0.799 234 HG2 ARG 30 HG2 ARG 30 -4.391 2.153 -0.142 235 HG3 ARG 30 HG3 ARG 30 -4.610 3.421 1.073 236 HD2 ARG 30 HD2 ARG 30 -6.454 4.257 0.111 237 HD3 ARG 30 HD3 ARG 30 -5.749 4.257 -1.489 238 HE ARG 30 HE ARG 30 -6.477 2.041 -1.902 239 HH11 ARG 30 HH11 ARG 30 -9.108 2.023 1.076 240 HH12 ARG 30 HH12 ARG 30 -7.741 3.104 1.219 241 HH21 ARG 30 HH21 ARG 30 -8.207 0.842 -2.007 242 HH22 ARG 30 HH22 ARG 30 -9.294 0.661 -0.622 243 HA PRO 31 HA PRO 31 -4.348 1.921 -5.391 244 HB2 PRO 31 HB2 PRO 31 -5.192 -0.681 -5.173 245 HB3 PRO 31 HB3 PRO 31 -3.479 -0.181 -5.332 246 HG2 PRO 31 HG2 PRO 31 -4.961 -0.833 -2.761 247 HG3 PRO 31 HG3 PRO 31 -3.379 -1.466 -3.326 248 HD2 PRO 31 HD2 PRO 31 -3.551 0.615 -1.616 249 HD3 PRO 31 HD3 PRO 31 -2.322 0.598 -2.920 250 H SER 32 H SER 32 -6.252 2.521 -6.212 251 HA SER 32 HA SER 32 -8.750 2.345 -4.602 252 HB2 SER 32 HB2 SER 32 -8.106 3.720 -7.234 253 HB3 SER 32 HB3 SER 32 -9.704 3.704 -6.467 254 HG SER 32 HG SER 32 -7.310 4.692 -5.291 255 H GLY 33 H GLY 33 -7.223 0.608 -7.186 256 HA2 GLY 33 HA2 GLY 33 -8.886 -1.599 -7.298 257 HA3 GLY 33 HA3 GLY 33 -9.615 -0.480 -8.451 258 H1B XYP 101 H1 XYP 34 12.537 2.172 1.684 259 H2B XYP 101 H2 XYP 34 15.156 2.929 0.276 260 H3B XYP 101 H3 XYP 34 12.329 4.024 -0.150 261 H4B XYP 101 H4 XYP 34 13.995 2.260 -2.015 262 H5B1 XYP 101 H5E XYP 34 12.350 0.483 -1.565 263 H5B2 XYP 101 H5A XYP 34 11.463 1.541 -0.448 264 HO2B XYP 101 H2O XYP 34 14.685 3.849 2.411 265 HO3B XYP 101 H3O XYP 34 14.163 5.453 -0.550 266 HO4B XYP 101 H4O XYP 34 12.485 3.862 -2.880 Start of MODEL 5 1 H1 LYS 1 H1 LYS 1 -12.653 -2.146 3.619 2 H2 LYS 1 H2 LYS 1 -11.637 -3.212 2.909 3 H3 LYS 1 H3 LYS 1 -12.681 -2.336 1.997 4 HA LYS 1 HA LYS 1 -11.605 -0.285 2.563 5 HB2 LYS 1 HB2 LYS 1 -10.814 -0.932 4.796 6 HB3 LYS 1 HB3 LYS 1 -9.637 -2.037 4.084 7 HG2 LYS 1 HG2 LYS 1 -8.553 -0.032 2.935 8 HG3 LYS 1 HG3 LYS 1 -9.725 0.999 3.764 9 HD2 LYS 1 HD2 LYS 1 -7.693 1.099 5.001 10 HD3 LYS 1 HD3 LYS 1 -8.816 0.126 5.963 11 HE2 LYS 1 HE2 LYS 1 -7.728 -1.953 5.078 12 HE3 LYS 1 HE3 LYS 1 -6.616 -0.956 4.125 13 HZ1 LYS 1 HZ1 LYS 1 -6.815 -0.945 7.093 14 HZ2 LYS 1 HZ2 LYS 1 -5.622 -1.650 6.232 15 HZ3 LYS 1 HZ3 LYS 1 -5.785 -0.023 6.222 16 H LEU 2 H LEU 2 -9.247 -2.980 2.116 17 HA LEU 2 HA LEU 2 -8.088 -1.619 -0.157 18 HB2 LEU 2 HB2 LEU 2 -6.944 -2.915 1.761 19 HB3 LEU 2 HB3 LEU 2 -7.480 -4.387 0.936 20 HG LEU 2 HG LEU 2 -6.171 -3.580 -1.102 21 HD11 LEU 2 HD11 LEU 2 -5.968 -1.165 -0.490 22 HD12 LEU 2 HD12 LEU 2 -5.036 -1.618 0.956 23 HD13 LEU 2 HD13 LEU 2 -4.386 -1.922 -0.675 24 HD21 LEU 2 HD21 LEU 2 -4.636 -4.003 1.497 25 HD22 LEU 2 HD22 LEU 2 -5.299 -5.279 0.454 26 HD23 LEU 2 HD23 LEU 2 -3.992 -4.239 -0.147 27 HA PRO 3 HA PRO 3 -10.681 -3.673 -3.112 28 HB2 PRO 3 HB2 PRO 3 -9.338 -3.227 -5.494 29 HB3 PRO 3 HB3 PRO 3 -10.279 -1.997 -4.599 30 HG2 PRO 3 HG2 PRO 3 -7.303 -2.445 -4.579 31 HG3 PRO 3 HG3 PRO 3 -8.196 -0.905 -4.655 32 HD2 PRO 3 HD2 PRO 3 -7.112 -1.908 -2.351 33 HD3 PRO 3 HD3 PRO 3 -8.612 -0.935 -2.369 34 HA PRO 4 HA PRO 4 -9.591 -7.836 -3.807 35 HB2 PRO 4 HB2 PRO 4 -10.435 -7.544 -6.696 36 HB3 PRO 4 HB3 PRO 4 -10.864 -8.828 -5.517 37 HG2 PRO 4 HG2 PRO 4 -12.616 -6.835 -6.022 38 HG3 PRO 4 HG3 PRO 4 -12.318 -7.337 -4.323 39 HD2 PRO 4 HD2 PRO 4 -11.150 -4.975 -5.821 40 HD3 PRO 4 HD3 PRO 4 -11.844 -5.048 -4.171 41 H GLY 5 H GLY 5 -7.892 -9.118 -4.304 42 HA2 GLY 5 HA2 GLY 5 -5.989 -9.932 -5.306 43 HA3 GLY 5 HA3 GLY 5 -6.104 -8.682 -6.559 44 H TRP 6 H TRP 6 -6.135 -6.626 -4.142 45 HA TRP 6 HA TRP 6 -3.215 -6.337 -4.017 46 HB2 TRP 6 HB2 TRP 6 -5.456 -4.578 -3.033 47 HB3 TRP 6 HB3 TRP 6 -3.752 -4.225 -2.799 48 HD1 TRP 6 HD1 TRP 6 -6.446 -4.257 -5.436 49 HE1 TRP 6 HE1 TRP 6 -5.656 -3.041 -7.556 50 HE3 TRP 6 HE3 TRP 6 -1.492 -3.801 -4.266 51 HZ2 TRP 6 HZ2 TRP 6 -3.111 -2.279 -8.727 52 HZ3 TRP 6 HZ3 TRP 6 0.118 -2.860 -5.939 53 HH2 TRP 6 HH2 TRP 6 -0.685 -2.119 -8.161 54 H GLU 7 H GLU 7 -1.944 -6.196 -2.225 55 HA GLU 7 HA GLU 7 -3.013 -6.693 0.489 56 HB2 GLU 7 HB2 GLU 7 -2.304 -8.907 -0.621 57 HB3 GLU 7 HB3 GLU 7 -0.671 -8.234 -0.681 58 HG2 GLU 7 HG2 GLU 7 -0.918 -7.913 1.890 59 HG3 GLU 7 HG3 GLU 7 -2.347 -8.932 1.762 60 H LYS 8 H LYS 8 -1.677 -5.690 2.100 61 HA LYS 8 HA LYS 8 0.231 -3.670 1.193 62 HB2 LYS 8 HB2 LYS 8 -0.716 -4.552 3.927 63 HB3 LYS 8 HB3 LYS 8 0.674 -3.464 3.727 64 HG2 LYS 8 HG2 LYS 8 -0.636 -1.913 2.393 65 HG3 LYS 8 HG3 LYS 8 -2.041 -2.994 2.446 66 HD2 LYS 8 HD2 LYS 8 -2.490 -1.263 3.979 67 HD3 LYS 8 HD3 LYS 8 -2.054 -2.666 4.977 68 HE2 LYS 8 HE2 LYS 8 0.280 -1.772 5.173 69 HE3 LYS 8 HE3 LYS 8 -0.178 -0.390 4.168 70 HZ1 LYS 8 HZ1 LYS 8 -0.267 0.153 6.535 71 HZ2 LYS 8 HZ2 LYS 8 -1.764 0.260 5.893 72 HZ3 LYS 8 HZ3 LYS 8 -1.357 -1.027 6.821 73 H ARG 9 H ARG 9 2.363 -3.558 1.470 74 HA ARG 9 HA ARG 9 3.976 -6.005 2.039 75 HB2 ARG 9 HB2 ARG 9 3.148 -5.675 -0.457 76 HB3 ARG 9 HB3 ARG 9 4.313 -4.371 -0.495 77 HG2 ARG 9 HG2 ARG 9 5.501 -6.089 -1.426 78 HG3 ARG 9 HG3 ARG 9 6.037 -6.252 0.256 79 HD2 ARG 9 HD2 ARG 9 3.973 -7.874 -1.278 80 HD3 ARG 9 HD3 ARG 9 5.585 -8.416 -0.783 81 HE ARG 9 HE ARG 9 4.731 -8.165 1.618 82 HH11 ARG 9 HH11 ARG 9 2.672 -9.247 -1.003 83 HH12 ARG 9 HH12 ARG 9 1.529 -10.005 0.088 84 HH21 ARG 9 HH21 ARG 9 3.207 -9.110 2.942 85 HH22 ARG 9 HH22 ARG 9 1.806 -9.885 2.244 86 H MET 10 H MET 10 6.388 -5.436 2.125 87 HA MET 10 HA MET 10 6.958 -2.606 2.713 88 HB2 MET 10 HB2 MET 10 5.809 -3.537 4.757 89 HB3 MET 10 HB3 MET 10 7.135 -4.708 4.905 90 HG2 MET 10 HG2 MET 10 8.730 -2.760 5.111 91 HG3 MET 10 HG3 MET 10 7.330 -1.676 5.030 92 HE1 MET 10 HE1 MET 10 9.527 -4.043 7.121 93 HE2 MET 10 HE2 MET 10 8.556 -4.382 8.570 94 HE3 MET 10 HE3 MET 10 8.097 -5.095 7.011 95 H PHE 11 H PHE 11 9.020 -2.049 2.546 96 HA PHE 11 HA PHE 11 11.027 -3.914 1.619 97 HB2 PHE 11 HB2 PHE 11 11.045 -0.956 2.199 98 HB3 PHE 11 HB3 PHE 11 12.497 -1.836 1.718 99 HD1 PHE 11 HD1 PHE 11 12.498 -3.160 -0.481 100 HD2 PHE 11 HD2 PHE 11 9.526 -0.192 0.507 101 HE1 PHE 11 HE1 PHE 11 11.923 -2.928 -2.887 102 HE2 PHE 11 HE2 PHE 11 8.965 0.045 -1.898 103 HZ PHE 11 HZ PHE 11 10.158 -1.323 -3.599 104 H ALA 12 H ALA 12 13.199 -4.170 2.462 105 HA ALA 12 HA ALA 12 13.263 -5.090 5.146 106 HB1 ALA 12 HB1 ALA 12 15.548 -4.333 3.269 107 HB2 ALA 12 HB2 ALA 12 15.677 -5.361 4.711 108 HB3 ALA 12 HB3 ALA 12 14.716 -5.906 3.325 109 H ASN 13 H ASN 13 13.827 -1.860 3.917 110 HA ASN 13 HA ASN 13 15.089 -0.878 6.382 111 HB2 ASN 13 HB2 ASN 13 15.158 1.271 5.234 112 HB3 ASN 13 HB3 ASN 13 15.805 -0.026 4.220 113 HD21 ASN 13 HD21 ASN 13 15.523 1.406 2.453 114 H GLY 14 H GLY 14 11.929 -1.709 5.784 115 HA2 GLY 14 HA2 GLY 14 10.148 -1.416 7.245 116 HA3 GLY 14 HA3 GLY 14 10.935 -0.013 7.986 117 H THR 15 H THR 15 10.654 0.040 4.484 118 HA THR 15 HA THR 15 8.639 2.212 4.638 119 HB THR 15 HB THR 15 10.325 1.159 2.335 120 HG1 THR 15 HG1 THR 15 11.641 2.117 3.647 121 HG21 THR 15 HG21 THR 15 8.567 3.630 2.517 122 HG22 THR 15 HG22 THR 15 9.750 3.290 1.226 123 HG23 THR 15 HG23 THR 15 8.349 2.233 1.431 124 H VAL 16 H VAL 16 6.534 1.872 4.210 125 HA VAL 16 HA VAL 16 5.640 -0.795 3.311 126 HB VAL 16 HB VAL 16 4.200 1.567 4.569 127 HG11 VAL 16 HG11 VAL 16 2.307 0.008 4.938 128 HG12 VAL 16 HG12 VAL 16 2.561 0.352 3.228 129 HG13 VAL 16 HG13 VAL 16 3.111 -1.200 3.910 130 HG21 VAL 16 HG21 VAL 16 5.735 0.365 6.110 131 HG22 VAL 16 HG22 VAL 16 4.042 0.102 6.545 132 HG23 VAL 16 HG23 VAL 16 4.940 -1.170 5.693 133 H TYR 17 H TYR 17 4.353 -1.191 1.601 134 HA TYR 17 HA TYR 17 3.338 0.888 -0.204 135 HB2 TYR 17 HB2 TYR 17 4.567 0.138 -2.137 136 HB3 TYR 17 HB3 TYR 17 5.711 0.618 -0.896 137 HD1 TYR 17 HD1 TYR 17 4.576 -2.060 -3.074 138 HD2 TYR 17 HD2 TYR 17 7.009 -1.154 0.372 139 HE1 TYR 17 HE1 TYR 17 5.854 -4.169 -3.422 140 HE2 TYR 17 HE2 TYR 17 8.324 -3.230 -0.022 141 HH TYR 17 HH TYR 17 8.690 -4.993 -1.406 142 H TYR 18 H TYR 18 2.616 -0.649 -2.318 143 HA TYR 18 HA TYR 18 0.882 -2.777 -1.165 144 HB2 TYR 18 HB2 TYR 18 0.198 -0.625 -3.183 145 HB3 TYR 18 HB3 TYR 18 -0.837 -1.994 -2.757 146 HD1 TYR 18 HD1 TYR 18 0.558 1.216 -1.582 147 HD2 TYR 18 HD2 TYR 18 -1.918 -2.168 -0.567 148 HE1 TYR 18 HE1 TYR 18 -0.255 2.429 0.410 149 HE2 TYR 18 HE2 TYR 18 -2.808 -0.917 1.381 150 HH TYR 18 HH TYR 18 -1.643 2.359 2.237 151 H PHE 19 H PHE 19 0.462 -4.597 -2.258 152 HA PHE 19 HA PHE 19 1.784 -5.036 -4.874 153 HB2 PHE 19 HB2 PHE 19 3.395 -5.770 -3.357 154 HB3 PHE 19 HB3 PHE 19 2.185 -6.560 -2.338 155 HD1 PHE 19 HD1 PHE 19 1.223 -8.773 -2.906 156 HD2 PHE 19 HD2 PHE 19 4.243 -6.889 -5.347 157 HE1 PHE 19 HE1 PHE 19 1.719 -10.947 -3.980 158 HE2 PHE 19 HE2 PHE 19 4.671 -9.056 -6.485 159 HZ PHE 19 HZ PHE 19 3.418 -11.094 -5.791 160 H ASN 20 H ASN 20 0.802 -6.242 -6.366 161 HA ASN 20 HA ASN 20 -1.929 -7.232 -5.705 162 HB2 ASN 20 HB2 ASN 20 -1.599 -5.563 -7.528 163 HB3 ASN 20 HB3 ASN 20 -0.628 -6.757 -8.410 164 HD21 ASN 20 HD21 ASN 20 -3.442 -5.416 -8.763 165 HD22 ASN 20 HD22 ASN 20 -4.434 -6.815 -9.183 166 H HIS 21 H HIS 21 -2.002 -9.334 -5.121 167 HA HIS 21 HA HIS 21 0.215 -11.123 -5.789 168 HB2 HIS 21 HB2 HIS 21 -0.389 -12.325 -4.023 169 HB3 HIS 21 HB3 HIS 21 -1.288 -10.881 -3.571 170 HD2 HIS 21 HD2 HIS 21 -4.034 -10.969 -4.241 171 HE1 HIS 21 HE1 HIS 21 -4.250 -15.225 -4.196 172 HE2 HIS 21 HE2 HIS 21 -5.615 -13.077 -4.152 173 H ILE 22 H ILE 22 -2.699 -10.404 -7.407 174 HA ILE 22 HA ILE 22 -3.015 -12.999 -8.730 175 HB ILE 22 HB ILE 22 -4.142 -10.279 -9.501 176 HG12 ILE 22 HG12 ILE 22 -4.831 -10.700 -7.204 177 HG13 ILE 22 HG13 ILE 22 -6.190 -10.788 -8.324 178 HG21 ILE 22 HG21 ILE 22 -5.931 -11.634 -10.578 179 HG22 ILE 22 HG22 ILE 22 -4.334 -11.838 -11.304 180 HG23 ILE 22 HG23 ILE 22 -4.980 -13.098 -10.231 181 HD11 ILE 22 HD11 ILE 22 -6.316 -12.516 -6.581 182 HD12 ILE 22 HD12 ILE 22 -6.184 -13.251 -8.187 183 HD13 ILE 22 HD13 ILE 22 -4.765 -13.199 -7.113 184 H THR 23 H THR 23 -1.624 -9.807 -9.434 185 HA THR 23 HA THR 23 -0.656 -10.722 -12.089 186 HB THR 23 HB THR 23 -0.834 -8.530 -12.877 187 HG1 THR 23 HG1 THR 23 -1.612 -6.937 -11.245 188 HG21 THR 23 HG21 THR 23 -3.233 -8.736 -11.012 189 HG22 THR 23 HG22 THR 23 -3.120 -7.899 -12.571 190 HG23 THR 23 HG23 THR 23 -3.068 -9.669 -12.517 191 H ASN 24 H ASN 24 0.671 -10.032 -9.095 192 HA ASN 24 HA ASN 24 2.665 -9.627 -8.249 193 HB2 ASN 24 HB2 ASN 24 3.843 -10.398 -10.936 194 HB3 ASN 24 HB3 ASN 24 4.727 -10.245 -9.413 195 HD21 ASN 24 HD21 ASN 24 3.406 -12.520 -11.407 196 HD22 ASN 24 HD22 ASN 24 3.124 -13.771 -10.191 197 H ALA 25 H ALA 25 1.195 -7.455 -9.967 198 HA ALA 25 HA ALA 25 3.235 -5.451 -10.429 199 HB1 ALA 25 HB1 ALA 25 0.243 -5.142 -9.931 200 HB2 ALA 25 HB2 ALA 25 1.329 -3.921 -10.617 201 HB3 ALA 25 HB3 ALA 25 1.007 -5.415 -11.515 202 H SER 26 H SER 26 3.445 -3.422 -9.184 203 HA SER 26 HA SER 26 2.530 -3.383 -6.422 204 HB2 SER 26 HB2 SER 26 4.743 -3.115 -5.397 205 HB3 SER 26 HB3 SER 26 4.515 -4.723 -6.090 206 HG SER 26 HG SER 26 5.769 -4.120 -7.847 207 H GLN 27 H GLN 27 2.703 -1.395 -5.368 208 HA GLN 27 HA GLN 27 3.777 0.956 -6.750 209 HB2 GLN 27 HB2 GLN 27 1.684 2.095 -7.056 210 HB3 GLN 27 HB3 GLN 27 1.601 0.543 -7.894 211 HG2 GLN 27 HG2 GLN 27 0.247 -0.393 -6.032 212 HG3 GLN 27 HG3 GLN 27 0.344 1.147 -5.188 213 HE21 GLN 27 HE21 GLN 27 -1.601 2.170 -5.333 214 HE22 GLN 27 HE22 GLN 27 -2.574 2.261 -6.816 215 H PHE 28 H PHE 28 3.860 2.837 -5.399 216 HA PHE 28 HA PHE 28 3.732 2.263 -2.536 217 HB2 PHE 28 HB2 PHE 28 5.670 3.329 -3.068 218 HB3 PHE 28 HB3 PHE 28 4.878 4.484 -4.147 219 HD1 PHE 28 HD1 PHE 28 3.727 6.474 -3.317 220 HD2 PHE 28 HD2 PHE 28 5.700 3.740 -0.618 221 HE1 PHE 28 HE1 PHE 28 3.587 8.162 -1.505 222 HE2 PHE 28 HE2 PHE 28 5.572 5.438 1.188 223 HZ PHE 28 HZ PHE 28 4.516 7.650 0.752 224 H GLU 29 H GLU 29 1.802 4.302 -4.654 225 HA GLU 29 HA GLU 29 0.318 5.507 -2.491 226 HB2 GLU 29 HB2 GLU 29 0.550 6.732 -4.496 227 HB3 GLU 29 HB3 GLU 29 0.011 5.384 -5.488 228 HG2 GLU 29 HG2 GLU 29 -1.639 7.100 -5.496 229 HG3 GLU 29 HG3 GLU 29 -2.287 5.653 -4.747 230 H ARG 30 H ARG 30 -1.769 5.160 -1.785 231 HA ARG 30 HA ARG 30 -2.448 2.439 -1.407 232 HB2 ARG 30 HB2 ARG 30 -2.768 3.972 0.285 233 HB3 ARG 30 HB3 ARG 30 -3.841 4.997 -0.662 234 HG2 ARG 30 HG2 ARG 30 -4.613 2.116 -0.105 235 HG3 ARG 30 HG3 ARG 30 -4.768 3.325 1.180 236 HD2 ARG 30 HD2 ARG 30 -6.593 4.285 0.288 237 HD3 ARG 30 HD3 ARG 30 -5.904 4.333 -1.324 238 HE ARG 30 HE ARG 30 -6.762 2.218 -1.852 239 HH11 ARG 30 HH11 ARG 30 -7.827 3.022 1.408 240 HH12 ARG 30 HH12 ARG 30 -9.240 2.007 1.239 241 HH21 ARG 30 HH21 ARG 30 -9.520 0.763 -0.572 242 HH22 ARG 30 HH22 ARG 30 -8.489 1.054 -1.975 243 HA PRO 31 HA PRO 31 -4.397 1.644 -5.253 244 HB2 PRO 31 HB2 PRO 31 -5.692 -0.710 -3.901 245 HB3 PRO 31 HB3 PRO 31 -4.742 -0.654 -5.418 246 HG2 PRO 31 HG2 PRO 31 -3.685 -1.557 -3.071 247 HG3 PRO 31 HG3 PRO 31 -2.704 -0.553 -4.200 248 HD2 PRO 31 HD2 PRO 31 -4.137 0.259 -1.667 249 HD3 PRO 31 HD3 PRO 31 -2.527 0.718 -2.304 250 H SER 32 H SER 32 -6.121 2.449 -6.286 251 HA SER 32 HA SER 32 -8.745 2.768 -4.917 252 HB2 SER 32 HB2 SER 32 -7.701 3.751 -7.595 253 HB3 SER 32 HB3 SER 32 -9.349 4.014 -6.998 254 HG SER 32 HG SER 32 -6.969 4.812 -5.658 255 H GLY 33 H GLY 33 -7.251 0.606 -7.197 256 HA2 GLY 33 HA2 GLY 33 -9.122 -1.414 -7.236 257 HA3 GLY 33 HA3 GLY 33 -9.685 -0.337 -8.514 258 H1B XYP 101 H1 XYP 34 12.803 2.258 1.748 259 H2B XYP 101 H2 XYP 34 15.493 2.713 0.336 260 H3B XYP 101 H3 XYP 34 12.768 4.000 -0.194 261 H4B XYP 101 H4 XYP 34 14.331 2.019 -1.925 262 H5B1 XYP 101 H5E XYP 34 12.557 0.395 -1.415 263 H5B2 XYP 101 H5A XYP 34 11.719 1.576 -0.387 264 HO2B XYP 101 H2O XYP 34 15.041 4.903 1.087 265 HO3B XYP 101 H3O XYP 34 13.982 4.760 -2.081 266 HO4B XYP 101 H4O XYP 34 12.429 2.183 -3.220 Start of MODEL 6 1 H1 LYS 1 H1 LYS 1 -12.424 -2.216 2.597 2 H2 LYS 1 H2 LYS 1 -12.213 -1.882 4.182 3 H3 LYS 1 H3 LYS 1 -11.291 -3.024 3.462 4 HA LYS 1 HA LYS 1 -11.277 -0.143 2.850 5 HB2 LYS 1 HB2 LYS 1 -10.243 -0.466 4.994 6 HB3 LYS 1 HB3 LYS 1 -9.247 -1.797 4.392 7 HG2 LYS 1 HG2 LYS 1 -8.020 -0.240 2.903 8 HG3 LYS 1 HG3 LYS 1 -9.052 1.099 3.440 9 HD2 LYS 1 HD2 LYS 1 -8.160 0.943 5.696 10 HD3 LYS 1 HD3 LYS 1 -7.272 -0.547 5.295 11 HE2 LYS 1 HE2 LYS 1 -5.899 0.647 3.652 12 HE3 LYS 1 HE3 LYS 1 -6.824 2.136 3.915 13 HZ1 LYS 1 HZ1 LYS 1 -6.033 2.166 6.211 14 HZ2 LYS 1 HZ2 LYS 1 -5.179 0.791 5.991 15 HZ3 LYS 1 HZ3 LYS 1 -4.760 2.158 5.192 16 H LEU 2 H LEU 2 -8.990 -2.898 2.377 17 HA LEU 2 HA LEU 2 -7.969 -1.606 0.045 18 HB2 LEU 2 HB2 LEU 2 -6.745 -2.909 1.847 19 HB3 LEU 2 HB3 LEU 2 -7.347 -4.388 1.079 20 HG LEU 2 HG LEU 2 -6.118 -3.643 -1.019 21 HD11 LEU 2 HD11 LEU 2 -4.306 -1.958 -0.681 22 HD12 LEU 2 HD12 LEU 2 -5.897 -1.217 -0.536 23 HD13 LEU 2 HD13 LEU 2 -4.963 -1.580 0.932 24 HD21 LEU 2 HD21 LEU 2 -5.159 -5.288 0.536 25 HD22 LEU 2 HD22 LEU 2 -3.892 -4.253 -0.148 26 HD23 LEU 2 HD23 LEU 2 -4.463 -3.978 1.515 27 HA PRO 3 HA PRO 3 -10.579 -3.557 -2.952 28 HB2 PRO 3 HB2 PRO 3 -8.407 -3.400 -4.988 29 HB3 PRO 3 HB3 PRO 3 -10.041 -2.674 -5.013 30 HG2 PRO 3 HG2 PRO 3 -7.809 -1.172 -4.579 31 HG3 PRO 3 HG3 PRO 3 -9.347 -0.836 -3.720 32 HD2 PRO 3 HD2 PRO 3 -6.933 -2.373 -2.685 33 HD3 PRO 3 HD3 PRO 3 -7.898 -1.095 -1.902 34 HA PRO 4 HA PRO 4 -9.623 -7.916 -3.468 35 HB2 PRO 4 HB2 PRO 4 -10.674 -7.614 -6.284 36 HB3 PRO 4 HB3 PRO 4 -11.055 -8.871 -5.063 37 HG2 PRO 4 HG2 PRO 4 -12.792 -6.842 -5.501 38 HG3 PRO 4 HG3 PRO 4 -12.419 -7.343 -3.817 39 HD2 PRO 4 HD2 PRO 4 -11.265 -5.017 -5.385 40 HD3 PRO 4 HD3 PRO 4 -11.890 -5.058 -3.705 41 H GLY 5 H GLY 5 -7.918 -9.155 -4.149 42 HA2 GLY 5 HA2 GLY 5 -6.062 -9.854 -5.279 43 HA3 GLY 5 HA3 GLY 5 -6.378 -8.652 -6.546 44 H TRP 6 H TRP 6 -6.210 -6.698 -3.924 45 HA TRP 6 HA TRP 6 -3.267 -6.335 -4.082 46 HB2 TRP 6 HB2 TRP 6 -5.437 -4.530 -3.037 47 HB3 TRP 6 HB3 TRP 6 -3.719 -4.224 -2.821 48 HD1 TRP 6 HD1 TRP 6 -6.425 -4.269 -5.451 49 HE1 TRP 6 HE1 TRP 6 -5.634 -3.140 -7.620 50 HE3 TRP 6 HE3 TRP 6 -1.467 -3.769 -4.301 51 HZ2 TRP 6 HZ2 TRP 6 -3.100 -2.435 -8.816 52 HZ3 TRP 6 HZ3 TRP 6 0.132 -2.862 -6.005 53 HH2 TRP 6 HH2 TRP 6 -0.678 -2.198 -8.245 54 H GLU 7 H GLU 7 -1.914 -6.217 -2.300 55 HA GLU 7 HA GLU 7 -2.978 -6.742 0.408 56 HB2 GLU 7 HB2 GLU 7 -2.312 -8.951 -0.714 57 HB3 GLU 7 HB3 GLU 7 -0.656 -8.332 -0.756 58 HG2 GLU 7 HG2 GLU 7 -0.725 -8.120 1.746 59 HG3 GLU 7 HG3 GLU 7 -2.379 -8.739 1.735 60 H LYS 8 H LYS 8 -1.647 -5.820 2.053 61 HA LYS 8 HA LYS 8 0.242 -3.758 1.205 62 HB2 LYS 8 HB2 LYS 8 -0.739 -4.698 3.907 63 HB3 LYS 8 HB3 LYS 8 0.647 -3.598 3.754 64 HG2 LYS 8 HG2 LYS 8 -0.658 -2.024 2.429 65 HG3 LYS 8 HG3 LYS 8 -2.057 -3.115 2.456 66 HD2 LYS 8 HD2 LYS 8 -2.516 -1.427 4.047 67 HD3 LYS 8 HD3 LYS 8 -2.056 -2.852 5.001 68 HE2 LYS 8 HE2 LYS 8 0.300 -1.932 5.131 69 HE3 LYS 8 HE3 LYS 8 -0.252 -0.496 4.258 70 HZ1 LYS 8 HZ1 LYS 8 -1.766 -0.038 6.113 71 HZ2 LYS 8 HZ2 LYS 8 -1.271 -1.380 6.909 72 HZ3 LYS 8 HZ3 LYS 8 -0.234 -0.143 6.666 73 H ARG 9 H ARG 9 2.362 -3.607 1.478 74 HA ARG 9 HA ARG 9 4.005 -5.999 2.153 75 HB2 ARG 9 HB2 ARG 9 3.197 -5.935 -0.323 76 HB3 ARG 9 HB3 ARG 9 4.208 -4.513 -0.504 77 HG2 ARG 9 HG2 ARG 9 5.382 -6.409 -1.370 78 HG3 ARG 9 HG3 ARG 9 6.196 -5.919 0.125 79 HD2 ARG 9 HD2 ARG 9 6.150 -8.247 0.220 80 HD3 ARG 9 HD3 ARG 9 4.837 -7.778 1.302 81 HE ARG 9 HE ARG 9 4.635 -8.977 -1.430 82 HH11 ARG 9 HH11 ARG 9 2.984 -10.463 -1.739 83 HH12 ARG 9 HH12 ARG 9 1.674 -10.498 -0.554 84 HH21 ARG 9 HH21 ARG 9 2.684 -8.036 1.412 85 HH22 ARG 9 HH22 ARG 9 1.578 -9.346 1.036 86 H MET 10 H MET 10 6.395 -5.437 2.218 87 HA MET 10 HA MET 10 6.959 -2.589 2.722 88 HB2 MET 10 HB2 MET 10 5.779 -3.462 4.771 89 HB3 MET 10 HB3 MET 10 7.094 -4.637 4.968 90 HG2 MET 10 HG2 MET 10 8.698 -2.696 5.157 91 HG3 MET 10 HG3 MET 10 7.308 -1.605 5.028 92 HE1 MET 10 HE1 MET 10 9.448 -3.941 7.215 93 HE2 MET 10 HE2 MET 10 8.445 -4.241 8.650 94 HE3 MET 10 HE3 MET 10 8.013 -4.983 7.096 95 H PHE 11 H PHE 11 9.024 -2.041 2.562 96 HA PHE 11 HA PHE 11 11.040 -3.935 1.714 97 HB2 PHE 11 HB2 PHE 11 11.061 -0.964 2.224 98 HB3 PHE 11 HB3 PHE 11 12.514 -1.862 1.782 99 HD1 PHE 11 HD1 PHE 11 12.558 -3.216 -0.387 100 HD2 PHE 11 HD2 PHE 11 9.542 -0.262 0.500 101 HE1 PHE 11 HE1 PHE 11 12.011 -3.044 -2.804 102 HE2 PHE 11 HE2 PHE 11 9.008 -0.083 -1.917 103 HZ PHE 11 HZ PHE 11 10.237 -1.475 -3.572 104 H ALA 12 H ALA 12 13.199 -4.176 2.599 105 HA ALA 12 HA ALA 12 13.212 -5.045 5.298 106 HB1 ALA 12 HB1 ALA 12 15.632 -5.332 4.913 107 HB2 ALA 12 HB2 ALA 12 14.695 -5.899 3.519 108 HB3 ALA 12 HB3 ALA 12 15.534 -4.330 3.450 109 H ASN 13 H ASN 13 13.807 -1.840 4.024 110 HA ASN 13 HA ASN 13 15.030 -0.815 6.492 111 HB2 ASN 13 HB2 ASN 13 15.119 1.313 5.304 112 HB3 ASN 13 HB3 ASN 13 15.786 -0.004 4.330 113 HD21 ASN 13 HD21 ASN 13 15.534 1.395 2.528 114 H GLY 14 H GLY 14 11.878 -1.649 5.852 115 HA2 GLY 14 HA2 GLY 14 10.073 -1.328 7.279 116 HA3 GLY 14 HA3 GLY 14 10.849 0.090 8.003 117 H THR 15 H THR 15 10.627 0.071 4.497 118 HA THR 15 HA THR 15 8.619 2.252 4.575 119 HB THR 15 HB THR 15 10.336 1.151 2.319 120 HG1 THR 15 HG1 THR 15 11.639 2.120 3.638 121 HG21 THR 15 HG21 THR 15 8.595 3.637 2.437 122 HG22 THR 15 HG22 THR 15 9.795 3.269 1.170 123 HG23 THR 15 HG23 THR 15 8.383 2.225 1.369 124 H VAL 16 H VAL 16 6.518 1.911 4.126 125 HA VAL 16 HA VAL 16 5.629 -0.771 3.270 126 HB VAL 16 HB VAL 16 4.180 1.619 4.463 127 HG11 VAL 16 HG11 VAL 16 2.552 0.386 3.128 128 HG12 VAL 16 HG12 VAL 16 3.089 -1.155 3.841 129 HG13 VAL 16 HG13 VAL 16 2.278 0.073 4.840 130 HG21 VAL 16 HG21 VAL 16 5.694 0.441 6.043 131 HG22 VAL 16 HG22 VAL 16 3.995 0.196 6.464 132 HG23 VAL 16 HG23 VAL 16 4.894 -1.097 5.649 133 H TYR 17 H TYR 17 4.353 -1.201 1.560 134 HA TYR 17 HA TYR 17 3.348 0.834 -0.296 135 HB2 TYR 17 HB2 TYR 17 4.591 0.047 -2.202 136 HB3 TYR 17 HB3 TYR 17 5.730 0.543 -0.963 137 HD1 TYR 17 HD1 TYR 17 4.594 -2.164 -3.104 138 HD2 TYR 17 HD2 TYR 17 7.010 -1.219 0.344 139 HE1 TYR 17 HE1 TYR 17 5.878 -4.275 -3.423 140 HE2 TYR 17 HE2 TYR 17 8.318 -3.306 -0.011 141 HH TYR 17 HH TYR 17 8.696 -5.083 -1.382 142 H TYR 18 H TYR 18 2.619 -0.732 -2.367 143 HA TYR 18 HA TYR 18 0.910 -2.869 -1.187 144 HB2 TYR 18 HB2 TYR 18 0.196 -0.735 -3.218 145 HB3 TYR 18 HB3 TYR 18 -0.832 -2.098 -2.752 146 HD1 TYR 18 HD1 TYR 18 0.521 1.163 -1.682 147 HD2 TYR 18 HD2 TYR 18 -1.839 -2.259 -0.521 148 HE1 TYR 18 HE1 TYR 18 -0.322 2.419 0.281 149 HE2 TYR 18 HE2 TYR 18 -2.748 -0.975 1.388 150 HH TYR 18 HH TYR 18 -2.758 1.018 2.505 151 H PHE 19 H PHE 19 0.503 -4.697 -2.286 152 HA PHE 19 HA PHE 19 1.820 -5.101 -4.909 153 HB2 PHE 19 HB2 PHE 19 3.422 -5.858 -3.403 154 HB3 PHE 19 HB3 PHE 19 2.210 -6.675 -2.406 155 HD1 PHE 19 HD1 PHE 19 4.292 -6.939 -5.417 156 HD2 PHE 19 HD2 PHE 19 1.251 -8.855 -3.037 157 HE1 PHE 19 HE1 PHE 19 4.746 -9.091 -6.573 158 HE2 PHE 19 HE2 PHE 19 1.763 -11.023 -4.140 159 HZ PHE 19 HZ PHE 19 3.489 -11.139 -5.925 160 H ASN 20 H ASN 20 0.880 -6.285 -6.424 161 HA ASN 20 HA ASN 20 -1.946 -7.014 -5.900 162 HB2 ASN 20 HB2 ASN 20 -1.224 -5.300 -7.597 163 HB3 ASN 20 HB3 ASN 20 -0.421 -6.588 -8.502 164 HD21 ASN 20 HD21 ASN 20 -3.512 -7.568 -7.093 165 HD22 ASN 20 HD22 ASN 20 -4.404 -7.283 -8.587 166 H HIS 21 H HIS 21 -1.679 -9.134 -4.974 167 HA HIS 21 HA HIS 21 0.247 -10.987 -5.950 168 HB2 HIS 21 HB2 HIS 21 -0.363 -12.352 -4.249 169 HB3 HIS 21 HB3 HIS 21 -0.982 -10.820 -3.629 170 HD2 HIS 21 HD2 HIS 21 -3.810 -10.501 -4.322 171 HE1 HIS 21 HE1 HIS 21 -4.567 -14.683 -4.028 172 HE2 HIS 21 HE2 HIS 21 -5.648 -12.381 -4.088 173 H ILE 22 H ILE 22 -2.737 -10.283 -7.362 174 HA ILE 22 HA ILE 22 -3.162 -12.829 -8.731 175 HB ILE 22 HB ILE 22 -4.211 -10.022 -9.277 176 HG12 ILE 22 HG12 ILE 22 -4.870 -10.670 -7.046 177 HG13 ILE 22 HG13 ILE 22 -6.258 -10.620 -8.134 178 HG21 ILE 22 HG21 ILE 22 -5.160 -12.709 -10.328 179 HG22 ILE 22 HG22 ILE 22 -6.081 -11.191 -10.460 180 HG23 ILE 22 HG23 ILE 22 -4.515 -11.340 -11.259 181 HD11 ILE 22 HD11 ILE 22 -6.410 -12.495 -6.583 182 HD12 ILE 22 HD12 ILE 22 -6.266 -13.100 -8.244 183 HD13 ILE 22 HD13 ILE 22 -4.860 -13.146 -7.150 184 H THR 23 H THR 23 -1.378 -9.843 -9.334 185 HA THR 23 HA THR 23 -0.706 -10.699 -12.103 186 HB THR 23 HB THR 23 -0.887 -8.562 -12.933 187 HG1 THR 23 HG1 THR 23 -1.525 -7.023 -10.929 188 HG21 THR 23 HG21 THR 23 -3.151 -9.482 -12.394 189 HG22 THR 23 HG22 THR 23 -3.122 -8.593 -10.853 190 HG23 THR 23 HG23 THR 23 -3.086 -7.712 -12.393 191 H ASN 24 H ASN 24 0.709 -9.970 -9.156 192 HA ASN 24 HA ASN 24 2.723 -9.642 -8.341 193 HB2 ASN 24 HB2 ASN 24 3.871 -10.435 -11.036 194 HB3 ASN 24 HB3 ASN 24 4.759 -10.312 -9.512 195 HD21 ASN 24 HD21 ASN 24 3.422 -12.550 -11.517 196 HD22 ASN 24 HD22 ASN 24 3.094 -13.798 -10.310 197 H ALA 25 H ALA 25 1.290 -7.440 -10.071 198 HA ALA 25 HA ALA 25 3.380 -5.464 -10.468 199 HB1 ALA 25 HB1 ALA 25 1.158 -5.382 -11.597 200 HB2 ALA 25 HB2 ALA 25 0.389 -5.068 -10.023 201 HB3 ALA 25 HB3 ALA 25 1.527 -3.897 -10.699 202 H SER 26 H SER 26 3.551 -3.441 -9.194 203 HA SER 26 HA SER 26 2.566 -3.429 -6.459 204 HB2 SER 26 HB2 SER 26 4.751 -3.169 -5.371 205 HB3 SER 26 HB3 SER 26 4.543 -4.771 -6.083 206 HG SER 26 HG SER 26 5.843 -4.150 -7.802 207 H GLN 27 H GLN 27 2.710 -1.440 -5.389 208 HA GLN 27 HA GLN 27 3.832 0.908 -6.738 209 HB2 GLN 27 HB2 GLN 27 1.754 2.066 -7.081 210 HB3 GLN 27 HB3 GLN 27 1.686 0.523 -7.936 211 HG2 GLN 27 HG2 GLN 27 0.277 -0.424 -6.124 212 HG3 GLN 27 HG3 GLN 27 0.361 1.104 -5.256 213 HE21 GLN 27 HE21 GLN 27 -1.529 2.215 -5.467 214 HE22 GLN 27 HE22 GLN 27 -2.475 2.306 -6.967 215 H PHE 28 H PHE 28 3.903 2.783 -5.397 216 HA PHE 28 HA PHE 28 3.744 2.225 -2.539 217 HB2 PHE 28 HB2 PHE 28 5.686 3.286 -3.057 218 HB3 PHE 28 HB3 PHE 28 4.905 4.433 -4.153 219 HD1 PHE 28 HD1 PHE 28 5.667 3.707 -0.605 220 HD2 PHE 28 HD2 PHE 28 3.782 6.446 -3.357 221 HE1 PHE 28 HE1 PHE 28 5.534 5.421 1.186 222 HE2 PHE 28 HE2 PHE 28 3.637 8.151 -1.562 223 HZ PHE 28 HZ PHE 28 4.519 7.645 0.714 224 H GLU 29 H GLU 29 1.860 4.287 -4.675 225 HA GLU 29 HA GLU 29 0.345 5.518 -2.534 226 HB2 GLU 29 HB2 GLU 29 0.740 6.627 -4.643 227 HB3 GLU 29 HB3 GLU 29 -0.120 5.355 -5.533 228 HG2 GLU 29 HG2 GLU 29 -2.229 5.965 -4.458 229 HG3 GLU 29 HG3 GLU 29 -1.402 7.128 -3.416 230 H ARG 30 H ARG 30 -1.748 5.110 -1.809 231 HA ARG 30 HA ARG 30 -2.407 2.409 -1.523 232 HB2 ARG 30 HB2 ARG 30 -2.849 3.882 0.180 233 HB3 ARG 30 HB3 ARG 30 -3.890 4.918 -0.795 234 HG2 ARG 30 HG2 ARG 30 -4.652 2.020 -0.330 235 HG3 ARG 30 HG3 ARG 30 -4.893 3.203 0.964 236 HD2 ARG 30 HD2 ARG 30 -6.618 4.262 -0.065 237 HD3 ARG 30 HD3 ARG 30 -5.907 4.126 -1.660 238 HE ARG 30 HE ARG 30 -6.856 2.029 -2.017 239 HH11 ARG 30 HH11 ARG 30 -9.613 0.713 -0.564 240 HH12 ARG 30 HH12 ARG 30 -8.646 0.893 -2.022 241 HH21 ARG 30 HH21 ARG 30 -7.865 3.113 1.175 242 HH22 ARG 30 HH22 ARG 30 -9.295 2.111 1.113 243 HA PRO 31 HA PRO 31 -4.282 1.524 -5.365 244 HB2 PRO 31 HB2 PRO 31 -5.590 -0.832 -4.028 245 HB3 PRO 31 HB3 PRO 31 -4.569 -0.774 -5.497 246 HG2 PRO 31 HG2 PRO 31 -3.584 -1.630 -3.095 247 HG3 PRO 31 HG3 PRO 31 -2.589 -0.589 -4.180 248 HD2 PRO 31 HD2 PRO 31 -4.248 0.190 -1.767 249 HD3 PRO 31 HD3 PRO 31 -2.576 0.635 -2.225 250 H SER 32 H SER 32 -6.005 2.279 -6.472 251 HA SER 32 HA SER 32 -8.615 2.728 -5.197 252 HB2 SER 32 HB2 SER 32 -7.647 3.152 -8.048 253 HB3 SER 32 HB3 SER 32 -9.244 3.615 -7.430 254 HG SER 32 HG SER 32 -7.750 5.349 -7.361 255 H GLY 33 H GLY 33 -7.215 0.318 -7.334 256 HA2 GLY 33 HA2 GLY 33 -8.865 -1.817 -7.035 257 HA3 GLY 33 HA3 GLY 33 -9.780 -0.852 -8.195 258 H1B XYP 101 H1 XYP 34 12.827 2.226 1.759 259 H2B XYP 101 H2 XYP 34 15.535 2.650 0.373 260 H3B XYP 101 H3 XYP 34 12.817 3.928 -0.212 261 H4B XYP 101 H4 XYP 34 14.395 1.914 -1.890 262 H5B1 XYP 101 H5E XYP 34 12.622 0.297 -1.364 263 H5B2 XYP 101 H5A XYP 34 11.768 1.495 -0.368 264 HO2B XYP 101 H2O XYP 34 15.078 4.856 1.075 265 HO3B XYP 101 H3O XYP 34 14.049 4.651 -2.101 266 HO4B XYP 101 H4O XYP 34 12.502 2.051 -3.201 Start of MODEL 7 1 H1 LYS 1 H1 LYS 1 -11.571 -3.333 3.056 2 H2 LYS 1 H2 LYS 1 -12.621 -2.402 2.209 3 H3 LYS 1 H3 LYS 1 -12.554 -2.285 3.836 4 HA LYS 1 HA LYS 1 -11.499 -0.395 2.840 5 HB2 LYS 1 HB2 LYS 1 -10.668 -1.153 5.024 6 HB3 LYS 1 HB3 LYS 1 -9.529 -2.245 4.235 7 HG2 LYS 1 HG2 LYS 1 -8.451 -0.191 3.143 8 HG3 LYS 1 HG3 LYS 1 -9.569 0.804 4.080 9 HD2 LYS 1 HD2 LYS 1 -7.491 0.792 5.242 10 HD3 LYS 1 HD3 LYS 1 -8.589 -0.231 6.182 11 HE2 LYS 1 HE2 LYS 1 -7.568 -2.256 5.098 12 HE3 LYS 1 HE3 LYS 1 -6.474 -1.203 4.187 13 HZ1 LYS 1 HZ1 LYS 1 -6.577 -1.420 7.152 14 HZ2 LYS 1 HZ2 LYS 1 -5.422 -2.070 6.201 15 HZ3 LYS 1 HZ3 LYS 1 -5.562 -0.444 6.324 16 H LEU 2 H LEU 2 -9.182 -3.100 2.226 17 HA LEU 2 HA LEU 2 -8.083 -1.646 -0.005 18 HB2 LEU 2 HB2 LEU 2 -6.867 -2.978 1.781 19 HB3 LEU 2 HB3 LEU 2 -7.437 -4.447 0.969 20 HG LEU 2 HG LEU 2 -6.172 -3.670 -1.082 21 HD11 LEU 2 HD11 LEU 2 -4.419 -1.934 -0.718 22 HD12 LEU 2 HD12 LEU 2 -6.028 -1.231 -0.573 23 HD13 LEU 2 HD13 LEU 2 -5.098 -1.593 0.896 24 HD21 LEU 2 HD21 LEU 2 -3.955 -4.228 -0.178 25 HD22 LEU 2 HD22 LEU 2 -4.542 -3.935 1.479 26 HD23 LEU 2 HD23 LEU 2 -5.204 -5.278 0.523 27 HA PRO 3 HA PRO 3 -10.602 -3.554 -3.108 28 HB2 PRO 3 HB2 PRO 3 -8.410 -3.341 -5.110 29 HB3 PRO 3 HB3 PRO 3 -10.035 -2.596 -5.120 30 HG2 PRO 3 HG2 PRO 3 -7.770 -1.140 -4.615 31 HG3 PRO 3 HG3 PRO 3 -9.321 -0.799 -3.780 32 HD2 PRO 3 HD2 PRO 3 -6.956 -2.400 -2.745 33 HD3 PRO 3 HD3 PRO 3 -7.917 -1.127 -1.949 34 HA PRO 4 HA PRO 4 -9.661 -7.883 -3.702 35 HB2 PRO 4 HB2 PRO 4 -10.535 -7.536 -6.573 36 HB3 PRO 4 HB3 PRO 4 -11.006 -8.802 -5.392 37 HG2 PRO 4 HG2 PRO 4 -12.686 -6.745 -5.909 38 HG3 PRO 4 HG3 PRO 4 -12.420 -7.269 -4.210 39 HD2 PRO 4 HD2 PRO 4 -11.144 -4.942 -5.681 40 HD3 PRO 4 HD3 PRO 4 -11.867 -4.992 -4.040 41 H GLY 5 H GLY 5 -7.940 -9.135 -4.272 42 HA2 GLY 5 HA2 GLY 5 -6.028 -9.881 -5.284 43 HA3 GLY 5 HA3 GLY 5 -6.247 -8.688 -6.578 44 H TRP 6 H TRP 6 -6.218 -6.571 -4.172 45 HA TRP 6 HA TRP 6 -3.283 -6.249 -4.132 46 HB2 TRP 6 HB2 TRP 6 -5.517 -4.470 -3.166 47 HB3 TRP 6 HB3 TRP 6 -3.814 -4.134 -2.893 48 HD1 TRP 6 HD1 TRP 6 -6.442 -4.147 -5.585 49 HE1 TRP 6 HE1 TRP 6 -5.587 -3.001 -7.720 50 HE3 TRP 6 HE3 TRP 6 -1.510 -3.746 -4.330 51 HZ2 TRP 6 HZ2 TRP 6 -3.037 -2.209 -8.821 52 HZ3 TRP 6 HZ3 TRP 6 0.143 -2.844 -5.993 53 HH2 TRP 6 HH2 TRP 6 -0.616 -2.093 -8.221 54 H GLU 7 H GLU 7 -1.980 -6.222 -2.400 55 HA GLU 7 HA GLU 7 -3.004 -6.697 0.338 56 HB2 GLU 7 HB2 GLU 7 -0.877 -8.311 -1.134 57 HB3 GLU 7 HB3 GLU 7 -0.976 -8.265 0.623 58 HG2 GLU 7 HG2 GLU 7 -3.150 -9.286 -1.257 59 HG3 GLU 7 HG3 GLU 7 -2.003 -10.273 -0.369 60 H LYS 8 H LYS 8 -1.664 -5.825 1.974 61 HA LYS 8 HA LYS 8 0.178 -3.699 1.127 62 HB2 LYS 8 HB2 LYS 8 -0.819 -4.612 3.829 63 HB3 LYS 8 HB3 LYS 8 0.580 -3.527 3.677 64 HG2 LYS 8 HG2 LYS 8 -0.707 -1.969 2.296 65 HG3 LYS 8 HG3 LYS 8 -2.119 -3.039 2.371 66 HD2 LYS 8 HD2 LYS 8 -2.538 -1.288 3.900 67 HD3 LYS 8 HD3 LYS 8 -2.095 -2.682 4.907 68 HE2 LYS 8 HE2 LYS 8 0.245 -1.796 5.056 69 HE3 LYS 8 HE3 LYS 8 -0.221 -0.426 4.037 70 HZ1 LYS 8 HZ1 LYS 8 -1.777 0.259 5.774 71 HZ2 LYS 8 HZ2 LYS 8 -1.362 -1.015 6.717 72 HZ3 LYS 8 HZ3 LYS 8 -0.273 0.156 6.394 73 H ARG 9 H ARG 9 2.309 -3.548 1.443 74 HA ARG 9 HA ARG 9 3.950 -5.973 2.022 75 HB2 ARG 9 HB2 ARG 9 3.108 -5.434 -0.554 76 HB3 ARG 9 HB3 ARG 9 4.513 -4.401 -0.478 77 HG2 ARG 9 HG2 ARG 9 5.342 -6.356 -1.396 78 HG3 ARG 9 HG3 ARG 9 5.792 -6.557 0.309 79 HD2 ARG 9 HD2 ARG 9 3.582 -7.900 -1.289 80 HD3 ARG 9 HD3 ARG 9 4.987 -8.651 -0.523 81 HE ARG 9 HE ARG 9 2.683 -7.419 0.981 82 HH11 ARG 9 HH11 ARG 9 4.847 -10.183 0.706 83 HH12 ARG 9 HH12 ARG 9 4.154 -10.927 2.125 84 HH21 ARG 9 HH21 ARG 9 1.941 -8.348 2.715 85 HH22 ARG 9 HH22 ARG 9 2.526 -9.916 3.243 86 H MET 10 H MET 10 6.335 -5.423 1.960 87 HA MET 10 HA MET 10 6.957 -2.660 2.780 88 HB2 MET 10 HB2 MET 10 7.043 -5.017 4.711 89 HB3 MET 10 HB3 MET 10 7.885 -3.478 4.968 90 HG2 MET 10 HG2 MET 10 5.675 -2.305 4.832 91 HG3 MET 10 HG3 MET 10 4.890 -3.895 4.792 92 HE1 MET 10 HE1 MET 10 6.839 -1.243 6.865 93 HE2 MET 10 HE2 MET 10 7.072 -2.031 8.439 94 HE3 MET 10 HE3 MET 10 8.008 -2.573 7.035 95 H PHE 11 H PHE 11 8.996 -2.095 2.669 96 HA PHE 11 HA PHE 11 11.036 -3.878 1.582 97 HB2 PHE 11 HB2 PHE 11 11.006 -0.944 2.299 98 HB3 PHE 11 HB3 PHE 11 12.461 -1.786 1.757 99 HD1 PHE 11 HD1 PHE 11 12.492 -2.944 -0.512 100 HD2 PHE 11 HD2 PHE 11 9.409 -0.169 0.674 101 HE1 PHE 11 HE1 PHE 11 11.881 -2.598 -2.896 102 HE2 PHE 11 HE2 PHE 11 8.813 0.187 -1.711 103 HZ PHE 11 HZ PHE 11 10.044 -1.031 -3.497 104 H ALA 12 H ALA 12 13.176 -4.168 2.463 105 HA ALA 12 HA ALA 12 13.208 -5.120 5.139 106 HB1 ALA 12 HB1 ALA 12 14.670 -5.932 3.322 107 HB2 ALA 12 HB2 ALA 12 15.514 -4.363 3.285 108 HB3 ALA 12 HB3 ALA 12 15.624 -5.406 4.721 109 H ASN 13 H ASN 13 13.782 -1.881 3.946 110 HA ASN 13 HA ASN 13 15.077 -0.931 6.401 111 HB2 ASN 13 HB2 ASN 13 15.149 1.218 5.289 112 HB3 ASN 13 HB3 ASN 13 15.721 -0.059 4.207 113 HD21 ASN 13 HD21 ASN 13 15.388 1.384 2.470 114 H GLY 14 H GLY 14 11.893 -1.737 5.834 115 HA2 GLY 14 HA2 GLY 14 10.153 -1.480 7.362 116 HA3 GLY 14 HA3 GLY 14 10.948 -0.078 8.091 117 H THR 15 H THR 15 10.597 0.023 4.607 118 HA THR 15 HA THR 15 8.559 2.172 4.822 119 HB THR 15 HB THR 15 10.257 1.154 2.511 120 HG1 THR 15 HG1 THR 15 11.529 2.159 3.830 121 HG21 THR 15 HG21 THR 15 9.649 3.260 1.374 122 HG22 THR 15 HG22 THR 15 8.277 2.165 1.556 123 HG23 THR 15 HG23 THR 15 8.430 3.576 2.637 124 H VAL 16 H VAL 16 6.479 1.978 4.125 125 HA VAL 16 HA VAL 16 5.493 -0.688 3.361 126 HB VAL 16 HB VAL 16 3.979 1.823 4.154 127 HG11 VAL 16 HG11 VAL 16 2.147 0.238 4.698 128 HG12 VAL 16 HG12 VAL 16 2.529 0.258 2.978 129 HG13 VAL 16 HG13 VAL 16 3.107 -1.087 3.995 130 HG21 VAL 16 HG21 VAL 16 4.733 -0.550 5.904 131 HG22 VAL 16 HG22 VAL 16 5.412 1.089 6.039 132 HG23 VAL 16 HG23 VAL 16 3.702 0.812 6.370 133 H TYR 17 H TYR 17 4.343 -1.171 1.554 134 HA TYR 17 HA TYR 17 3.431 0.868 -0.336 135 HB2 TYR 17 HB2 TYR 17 4.669 0.086 -2.234 136 HB3 TYR 17 HB3 TYR 17 5.817 0.530 -0.983 137 HD1 TYR 17 HD1 TYR 17 7.031 -1.290 0.311 138 HD2 TYR 17 HD2 TYR 17 4.640 -2.093 -3.191 139 HE1 TYR 17 HE1 TYR 17 8.281 -3.412 -0.071 140 HE2 TYR 17 HE2 TYR 17 5.853 -4.242 -3.528 141 HH TYR 17 HH TYR 17 8.558 -5.226 -1.406 142 H TYR 18 H TYR 18 2.665 -0.625 -2.408 143 HA TYR 18 HA TYR 18 0.900 -2.734 -1.278 144 HB2 TYR 18 HB2 TYR 18 0.259 -0.561 -3.284 145 HB3 TYR 18 HB3 TYR 18 -0.788 -1.937 -2.911 146 HD1 TYR 18 HD1 TYR 18 0.692 1.175 -1.565 147 HD2 TYR 18 HD2 TYR 18 -1.987 -2.119 -0.810 148 HE1 TYR 18 HE1 TYR 18 -0.103 2.315 0.478 149 HE2 TYR 18 HE2 TYR 18 -2.870 -0.933 1.183 150 HH TYR 18 HH TYR 18 -1.542 2.212 2.270 151 H PHE 19 H PHE 19 0.452 -4.545 -2.364 152 HA PHE 19 HA PHE 19 1.816 -5.032 -4.953 153 HB2 PHE 19 HB2 PHE 19 3.399 -5.728 -3.358 154 HB3 PHE 19 HB3 PHE 19 2.150 -6.527 -2.386 155 HD1 PHE 19 HD1 PHE 19 4.028 -6.740 -5.586 156 HD2 PHE 19 HD2 PHE 19 1.570 -8.824 -2.721 157 HE1 PHE 19 HE1 PHE 19 4.545 -8.890 -6.711 158 HE2 PHE 19 HE2 PHE 19 2.137 -10.980 -3.812 159 HZ PHE 19 HZ PHE 19 3.603 -11.020 -5.821 160 H ASN 20 H ASN 20 0.762 -6.151 -6.440 161 HA ASN 20 HA ASN 20 -1.924 -7.210 -5.733 162 HB2 ASN 20 HB2 ASN 20 -1.647 -5.563 -7.581 163 HB3 ASN 20 HB3 ASN 20 -0.650 -6.745 -8.455 164 HD21 ASN 20 HD21 ASN 20 -3.416 -5.487 -8.956 165 HD22 ASN 20 HD22 ASN 20 -4.411 -6.906 -9.297 166 H HIS 21 H HIS 21 -1.688 -9.257 -4.884 167 HA HIS 21 HA HIS 21 0.491 -10.974 -5.740 168 HB2 HIS 21 HB2 HIS 21 0.002 -12.332 -3.996 169 HB3 HIS 21 HB3 HIS 21 -0.633 -10.800 -3.396 170 HD2 HIS 21 HD2 HIS 21 -3.494 -10.580 -4.050 171 HE1 HIS 21 HE1 HIS 21 -4.126 -14.745 -3.405 172 HE2 HIS 21 HE2 HIS 21 -5.271 -12.480 -3.604 173 H ILE 22 H ILE 22 -2.528 -10.442 -7.193 174 HA ILE 22 HA ILE 22 -2.816 -13.098 -8.378 175 HB ILE 22 HB ILE 22 -4.071 -10.462 -9.230 176 HG12 ILE 22 HG12 ILE 22 -4.646 -10.776 -6.892 177 HG13 ILE 22 HG13 ILE 22 -6.049 -11.004 -7.936 178 HG21 ILE 22 HG21 ILE 22 -5.853 -11.933 -10.156 179 HG22 ILE 22 HG22 ILE 22 -4.282 -12.115 -10.943 180 HG23 ILE 22 HG23 ILE 22 -4.832 -13.342 -9.781 181 HD11 ILE 22 HD11 ILE 22 -6.021 -12.627 -6.103 182 HD12 ILE 22 HD12 ILE 22 -5.882 -13.459 -7.659 183 HD13 ILE 22 HD13 ILE 22 -4.443 -13.246 -6.630 184 H THR 23 H THR 23 -1.546 -9.907 -9.296 185 HA THR 23 HA THR 23 -0.679 -10.918 -11.952 186 HB THR 23 HB THR 23 -0.950 -8.773 -12.836 187 HG1 THR 23 HG1 THR 23 -1.724 -7.133 -11.233 188 HG21 THR 23 HG21 THR 23 -3.263 -8.966 -10.865 189 HG22 THR 23 HG22 THR 23 -3.240 -8.184 -12.457 190 HG23 THR 23 HG23 THR 23 -3.131 -9.950 -12.342 191 H ASN 24 H ASN 24 0.736 -10.043 -9.060 192 HA ASN 24 HA ASN 24 2.740 -9.573 -8.301 193 HB2 ASN 24 HB2 ASN 24 3.862 -10.375 -11.002 194 HB3 ASN 24 HB3 ASN 24 4.785 -10.156 -9.510 195 HD21 ASN 24 HD21 ASN 24 3.490 -12.522 -11.407 196 HD22 ASN 24 HD22 ASN 24 3.280 -13.750 -10.153 197 H ALA 25 H ALA 25 1.144 -7.481 -10.004 198 HA ALA 25 HA ALA 25 3.121 -5.425 -10.551 199 HB1 ALA 25 HB1 ALA 25 0.858 -5.464 -11.576 200 HB2 ALA 25 HB2 ALA 25 0.139 -5.173 -9.973 201 HB3 ALA 25 HB3 ALA 25 1.180 -3.947 -10.715 202 H SER 26 H SER 26 3.331 -3.385 -9.331 203 HA SER 26 HA SER 26 2.519 -3.352 -6.522 204 HB2 SER 26 HB2 SER 26 4.810 -3.021 -5.643 205 HB3 SER 26 HB3 SER 26 4.542 -4.638 -6.297 206 HG SER 26 HG SER 26 5.863 -2.491 -7.633 207 H GLN 27 H GLN 27 2.679 -1.359 -5.477 208 HA GLN 27 HA GLN 27 3.724 1.002 -6.861 209 HB2 GLN 27 HB2 GLN 27 1.637 2.159 -7.103 210 HB3 GLN 27 HB3 GLN 27 1.509 0.610 -7.943 211 HG2 GLN 27 HG2 GLN 27 0.201 -0.315 -6.042 212 HG3 GLN 27 HG3 GLN 27 0.340 1.226 -5.202 213 HE21 GLN 27 HE21 GLN 27 -1.607 2.260 -5.291 214 HE22 GLN 27 HE22 GLN 27 -2.616 2.362 -6.747 215 H PHE 28 H PHE 28 3.805 2.892 -5.478 216 HA PHE 28 HA PHE 28 3.785 2.240 -2.621 217 HB2 PHE 28 HB2 PHE 28 5.713 3.306 -3.191 218 HB3 PHE 28 HB3 PHE 28 4.896 4.492 -4.215 219 HD1 PHE 28 HD1 PHE 28 3.811 6.480 -3.304 220 HD2 PHE 28 HD2 PHE 28 5.801 3.643 -0.730 221 HE1 PHE 28 HE1 PHE 28 3.750 8.124 -1.447 222 HE2 PHE 28 HE2 PHE 28 5.752 5.296 1.122 223 HZ PHE 28 HZ PHE 28 4.727 7.538 0.770 224 H GLU 29 H GLU 29 1.807 4.364 -4.613 225 HA GLU 29 HA GLU 29 0.399 5.494 -2.358 226 HB2 GLU 29 HB2 GLU 29 0.574 6.787 -4.334 227 HB3 GLU 29 HB3 GLU 29 -0.010 5.475 -5.347 228 HG2 GLU 29 HG2 GLU 29 -1.649 7.198 -5.237 229 HG3 GLU 29 HG3 GLU 29 -2.278 5.733 -4.507 230 H ARG 30 H ARG 30 -1.638 5.084 -1.555 231 HA ARG 30 HA ARG 30 -2.384 2.342 -1.388 232 HB2 ARG 30 HB2 ARG 30 -2.641 3.817 0.446 233 HB3 ARG 30 HB3 ARG 30 -3.739 4.877 -0.425 234 HG2 ARG 30 HG2 ARG 30 -4.466 1.963 0.024 235 HG3 ARG 30 HG3 ARG 30 -4.635 3.133 1.340 236 HD2 ARG 30 HD2 ARG 30 -6.479 4.083 0.488 237 HD3 ARG 30 HD3 ARG 30 -5.817 4.180 -1.127 238 HE ARG 30 HE ARG 30 -6.613 2.019 -1.674 239 HH11 ARG 30 HH11 ARG 30 -8.386 0.893 -1.833 240 HH12 ARG 30 HH12 ARG 30 -9.451 0.641 -0.446 241 HH21 ARG 30 HH21 ARG 30 -7.749 2.855 1.559 242 HH22 ARG 30 HH22 ARG 30 -9.176 1.865 1.357 243 HA PRO 31 HA PRO 31 -4.572 2.127 -5.210 244 HB2 PRO 31 HB2 PRO 31 -5.515 -0.455 -5.130 245 HB3 PRO 31 HB3 PRO 31 -3.796 -0.013 -5.341 246 HG2 PRO 31 HG2 PRO 31 -5.182 -0.794 -2.758 247 HG3 PRO 31 HG3 PRO 31 -3.640 -1.419 -3.429 248 HD2 PRO 31 HD2 PRO 31 -3.706 0.535 -1.563 249 HD3 PRO 31 HD3 PRO 31 -2.512 0.576 -2.899 250 H SER 32 H SER 32 -6.424 3.100 -5.743 251 HA SER 32 HA SER 32 -8.723 3.198 -3.982 252 HB2 SER 32 HB2 SER 32 -8.308 4.213 -6.820 253 HB3 SER 32 HB3 SER 32 -9.704 4.590 -5.793 254 HG SER 32 HG SER 32 -8.084 6.203 -5.680 255 H GLY 33 H GLY 33 -7.905 1.025 -6.556 256 HA2 GLY 33 HA2 GLY 33 -10.272 -0.584 -6.337 257 HA3 GLY 33 HA3 GLY 33 -10.369 0.437 -7.770 258 H1B XYP 101 H1 XYP 34 12.585 2.207 1.886 259 H2B XYP 101 H2 XYP 34 15.234 3.046 0.588 260 H3B XYP 101 H3 XYP 34 12.403 4.099 0.096 261 H4B XYP 101 H4 XYP 34 14.165 2.415 -1.755 262 H5B1 XYP 101 H5E XYP 34 12.540 0.597 -1.407 263 H5B2 XYP 101 H5A XYP 34 11.596 1.609 -0.295 264 HO2B XYP 101 H2O XYP 34 14.675 3.902 2.729 265 HO3B XYP 101 H3O XYP 34 14.221 5.573 -0.206 266 HO4B XYP 101 H4O XYP 34 12.654 4.010 -2.632 Start of MODEL 8 1 H1 LYS 1 H1 LYS 1 -12.714 -2.118 1.913 2 H2 LYS 1 H2 LYS 1 -12.659 -1.944 3.535 3 H3 LYS 1 H3 LYS 1 -11.775 -3.114 2.813 4 HA LYS 1 HA LYS 1 -11.408 -0.210 2.485 5 HB2 LYS 1 HB2 LYS 1 -10.682 -0.837 4.694 6 HB3 LYS 1 HB3 LYS 1 -9.739 -2.196 4.071 7 HG2 LYS 1 HG2 LYS 1 -8.217 -0.622 2.894 8 HG3 LYS 1 HG3 LYS 1 -9.182 0.748 3.474 9 HD2 LYS 1 HD2 LYS 1 -8.586 0.237 5.785 10 HD3 LYS 1 HD3 LYS 1 -7.767 -1.261 5.284 11 HE2 LYS 1 HE2 LYS 1 -6.144 0.026 3.952 12 HE3 LYS 1 HE3 LYS 1 -6.972 1.537 4.366 13 HZ1 LYS 1 HZ1 LYS 1 -5.647 -0.257 6.329 14 HZ2 LYS 1 HZ2 LYS 1 -5.063 1.182 5.812 15 HZ3 LYS 1 HZ3 LYS 1 -6.426 1.129 6.704 16 H LEU 2 H LEU 2 -9.328 -3.126 2.019 17 HA LEU 2 HA LEU 2 -8.067 -1.784 -0.217 18 HB2 LEU 2 HB2 LEU 2 -6.996 -3.070 1.746 19 HB3 LEU 2 HB3 LEU 2 -7.507 -4.542 0.904 20 HG LEU 2 HG LEU 2 -6.143 -3.712 -1.099 21 HD11 LEU 2 HD11 LEU 2 -4.348 -2.087 -0.597 22 HD12 LEU 2 HD12 LEU 2 -5.929 -1.313 -0.460 23 HD13 LEU 2 HD13 LEU 2 -5.052 -1.780 1.013 24 HD21 LEU 2 HD21 LEU 2 -4.000 -4.411 -0.083 25 HD22 LEU 2 HD22 LEU 2 -4.698 -4.189 1.542 26 HD23 LEU 2 HD23 LEU 2 -5.338 -5.443 0.461 27 HA PRO 3 HA PRO 3 -10.619 -3.818 -3.238 28 HB2 PRO 3 HB2 PRO 3 -9.191 -3.353 -5.573 29 HB3 PRO 3 HB3 PRO 3 -10.179 -2.135 -4.708 30 HG2 PRO 3 HG2 PRO 3 -7.190 -2.581 -4.523 31 HG3 PRO 3 HG3 PRO 3 -8.073 -1.043 -4.706 32 HD2 PRO 3 HD2 PRO 3 -7.170 -1.900 -2.308 33 HD3 PRO 3 HD3 PRO 3 -8.749 -1.068 -2.474 34 HA PRO 4 HA PRO 4 -9.524 -7.969 -3.889 35 HB2 PRO 4 HB2 PRO 4 -10.218 -7.687 -6.820 36 HB3 PRO 4 HB3 PRO 4 -10.713 -8.963 -5.659 37 HG2 PRO 4 HG2 PRO 4 -12.426 -6.964 -6.256 38 HG3 PRO 4 HG3 PRO 4 -12.213 -7.459 -4.542 39 HD2 PRO 4 HD2 PRO 4 -10.963 -5.110 -5.991 40 HD3 PRO 4 HD3 PRO 4 -11.733 -5.172 -4.376 41 H GLY 5 H GLY 5 -7.822 -9.280 -4.294 42 HA2 GLY 5 HA2 GLY 5 -5.872 -10.116 -5.154 43 HA3 GLY 5 HA3 GLY 5 -5.922 -8.904 -6.451 44 H TRP 6 H TRP 6 -6.015 -6.726 -4.195 45 HA TRP 6 HA TRP 6 -3.128 -6.407 -4.008 46 HB2 TRP 6 HB2 TRP 6 -5.421 -4.723 -3.021 47 HB3 TRP 6 HB3 TRP 6 -3.735 -4.323 -2.744 48 HD1 TRP 6 HD1 TRP 6 -6.364 -4.364 -5.432 49 HE1 TRP 6 HE1 TRP 6 -5.544 -3.094 -7.518 50 HE3 TRP 6 HE3 TRP 6 -1.449 -3.932 -4.168 51 HZ2 TRP 6 HZ2 TRP 6 -2.980 -2.281 -8.614 52 HZ3 TRP 6 HZ3 TRP 6 0.193 -2.966 -5.777 53 HH2 TRP 6 HH2 TRP 6 -0.560 -2.146 -7.997 54 H GLU 7 H GLU 7 -1.815 -6.264 -2.254 55 HA GLU 7 HA GLU 7 -2.829 -6.828 0.474 56 HB2 GLU 7 HB2 GLU 7 -2.016 -8.975 -0.740 57 HB3 GLU 7 HB3 GLU 7 -0.419 -8.217 -0.755 58 HG2 GLU 7 HG2 GLU 7 -0.694 -8.015 1.819 59 HG3 GLU 7 HG3 GLU 7 -2.104 -9.052 1.644 60 H LYS 8 H LYS 8 -1.602 -5.754 2.071 61 HA LYS 8 HA LYS 8 0.313 -3.707 1.224 62 HB2 LYS 8 HB2 LYS 8 -0.765 -4.570 3.917 63 HB3 LYS 8 HB3 LYS 8 0.650 -3.506 3.787 64 HG2 LYS 8 HG2 LYS 8 -0.584 -1.945 2.363 65 HG3 LYS 8 HG3 LYS 8 -2.014 -2.994 2.428 66 HD2 LYS 8 HD2 LYS 8 -2.431 -1.234 3.954 67 HD3 LYS 8 HD3 LYS 8 -1.999 -2.624 4.969 68 HE2 LYS 8 HE2 LYS 8 0.367 -1.756 5.071 69 HE3 LYS 8 HE3 LYS 8 -0.128 -0.362 4.102 70 HZ1 LYS 8 HZ1 LYS 8 -0.118 0.141 6.484 71 HZ2 LYS 8 HZ2 LYS 8 -1.635 0.273 5.904 72 HZ3 LYS 8 HZ3 LYS 8 -1.206 -1.035 6.790 73 H ARG 9 H ARG 9 2.418 -3.594 1.566 74 HA ARG 9 HA ARG 9 4.008 -5.897 2.598 75 HB2 ARG 9 HB2 ARG 9 4.458 -4.506 -0.070 76 HB3 ARG 9 HB3 ARG 9 5.595 -5.643 0.658 77 HG2 ARG 9 HG2 ARG 9 2.819 -6.276 -0.288 78 HG3 ARG 9 HG3 ARG 9 4.320 -6.667 -1.142 79 HD2 ARG 9 HD2 ARG 9 5.022 -8.167 0.673 80 HD3 ARG 9 HD3 ARG 9 3.575 -7.757 1.606 81 HE ARG 9 HE ARG 9 2.247 -9.114 0.277 82 HH11 ARG 9 HH11 ARG 9 5.432 -9.086 -1.221 83 HH12 ARG 9 HH12 ARG 9 5.086 -10.560 -2.089 84 HH21 ARG 9 HH21 ARG 9 1.911 -10.861 -0.756 85 HH22 ARG 9 HH22 ARG 9 3.116 -11.581 -1.831 86 H MET 10 H MET 10 6.316 -5.321 2.623 87 HA MET 10 HA MET 10 6.982 -2.519 3.084 88 HB2 MET 10 HB2 MET 10 5.811 -3.235 5.225 89 HB3 MET 10 HB3 MET 10 7.154 -4.363 5.494 90 HG2 MET 10 HG2 MET 10 8.718 -2.368 5.427 91 HG3 MET 10 HG3 MET 10 7.291 -1.333 5.260 92 HE1 MET 10 HE1 MET 10 8.185 -4.484 7.595 93 HE2 MET 10 HE2 MET 10 9.592 -3.397 7.554 94 HE3 MET 10 HE3 MET 10 8.658 -3.591 9.053 95 H PHE 11 H PHE 11 9.073 -2.081 2.844 96 HA PHE 11 HA PHE 11 11.023 -4.115 2.167 97 HB2 PHE 11 HB2 PHE 11 11.119 -1.114 2.407 98 HB3 PHE 11 HB3 PHE 11 12.568 -2.074 2.101 99 HD1 PHE 11 HD1 PHE 11 9.641 -0.570 0.592 100 HD2 PHE 11 HD2 PHE 11 12.704 -3.557 0.045 101 HE1 PHE 11 HE1 PHE 11 9.205 -0.570 -1.852 102 HE2 PHE 11 HE2 PHE 11 12.260 -3.560 -2.399 103 HZ PHE 11 HZ PHE 11 10.513 -2.065 -3.351 104 H ALA 12 H ALA 12 13.141 -4.393 3.119 105 HA ALA 12 HA ALA 12 13.109 -4.897 5.918 106 HB1 ALA 12 HB1 ALA 12 14.541 -6.065 4.280 107 HB2 ALA 12 HB2 ALA 12 15.460 -4.567 3.999 108 HB3 ALA 12 HB3 ALA 12 15.510 -5.361 5.587 109 H ASN 13 H ASN 13 13.817 -1.930 4.224 110 HA ASN 13 HA ASN 13 15.170 -0.626 6.475 111 HB2 ASN 13 HB2 ASN 13 15.270 1.302 5.006 112 HB3 ASN 13 HB3 ASN 13 15.778 -0.151 4.135 113 HD21 ASN 13 HD21 ASN 13 15.397 1.271 2.265 114 H GLY 14 H GLY 14 11.930 -1.393 6.018 115 HA2 GLY 14 HA2 GLY 14 10.186 -0.821 7.460 116 HA3 GLY 14 HA3 GLY 14 11.035 0.645 7.970 117 H THR 15 H THR 15 10.763 0.228 4.507 118 HA THR 15 HA THR 15 8.794 2.447 4.330 119 HB THR 15 HB THR 15 10.486 1.028 2.245 120 HG1 THR 15 HG1 THR 15 11.710 2.156 3.596 121 HG21 THR 15 HG21 THR 15 10.023 2.905 0.770 122 HG22 THR 15 HG22 THR 15 8.550 2.018 1.148 123 HG23 THR 15 HG23 THR 15 8.869 3.576 1.957 124 H VAL 16 H VAL 16 6.687 2.124 3.802 125 HA VAL 16 HA VAL 16 5.733 -0.640 3.329 126 HB VAL 16 HB VAL 16 4.372 1.964 4.108 127 HG11 VAL 16 HG11 VAL 16 3.080 -0.774 3.778 128 HG12 VAL 16 HG12 VAL 16 2.334 0.639 4.554 129 HG13 VAL 16 HG13 VAL 16 2.715 0.692 2.836 130 HG21 VAL 16 HG21 VAL 16 5.720 0.879 5.892 131 HG22 VAL 16 HG22 VAL 16 3.992 0.804 6.252 132 HG23 VAL 16 HG23 VAL 16 4.828 -0.637 5.638 133 H TYR 17 H TYR 17 4.485 -1.272 1.619 134 HA TYR 17 HA TYR 17 3.698 0.576 -0.519 135 HB2 TYR 17 HB2 TYR 17 4.876 -0.538 -2.297 136 HB3 TYR 17 HB3 TYR 17 6.030 0.046 -1.113 137 HD1 TYR 17 HD1 TYR 17 7.249 -1.555 0.380 138 HD2 TYR 17 HD2 TYR 17 4.688 -2.924 -2.823 139 HE1 TYR 17 HE1 TYR 17 8.465 -3.726 0.318 140 HE2 TYR 17 HE2 TYR 17 5.919 -5.074 -2.887 141 HH TYR 17 HH TYR 17 8.694 -5.734 -0.730 142 H TYR 18 H TYR 18 2.814 -0.961 -2.398 143 HA TYR 18 HA TYR 18 1.017 -3.012 -1.204 144 HB2 TYR 18 HB2 TYR 18 0.380 -0.850 -3.240 145 HB3 TYR 18 HB3 TYR 18 -0.698 -2.176 -2.784 146 HD1 TYR 18 HD1 TYR 18 0.892 0.960 -1.604 147 HD2 TYR 18 HD2 TYR 18 -1.860 -2.230 -0.671 148 HE1 TYR 18 HE1 TYR 18 0.079 2.244 0.362 149 HE2 TYR 18 HE2 TYR 18 -2.733 -0.920 1.235 150 HH TYR 18 HH TYR 18 -2.603 1.041 2.415 151 H PHE 19 H PHE 19 0.560 -4.817 -2.349 152 HA PHE 19 HA PHE 19 1.746 -5.165 -5.044 153 HB2 PHE 19 HB2 PHE 19 3.454 -5.965 -3.648 154 HB3 PHE 19 HB3 PHE 19 2.291 -6.807 -2.607 155 HD1 PHE 19 HD1 PHE 19 1.526 -9.034 -3.069 156 HD2 PHE 19 HD2 PHE 19 3.953 -6.899 -5.925 157 HE1 PHE 19 HE1 PHE 19 1.933 -11.144 -4.310 158 HE2 PHE 19 HE2 PHE 19 4.328 -9.003 -7.183 159 HZ PHE 19 HZ PHE 19 3.315 -11.136 -6.376 160 H ASN 20 H ASN 20 0.592 -6.233 -6.515 161 HA ASN 20 HA ASN 20 -2.006 -7.392 -5.646 162 HB2 ASN 20 HB2 ASN 20 -1.907 -5.624 -7.420 163 HB3 ASN 20 HB3 ASN 20 -1.032 -6.771 -8.454 164 HD21 ASN 20 HD21 ASN 20 -3.928 -5.484 -8.323 165 HD22 ASN 20 HD22 ASN 20 -4.930 -6.890 -8.683 166 H HIS 21 H HIS 21 -1.933 -9.513 -5.155 167 HA HIS 21 HA HIS 21 0.269 -11.171 -6.117 168 HB2 HIS 21 HB2 HIS 21 -0.141 -12.498 -4.379 169 HB3 HIS 21 HB3 HIS 21 -1.026 -11.105 -3.769 170 HD2 HIS 21 HD2 HIS 21 -3.822 -11.228 -4.210 171 HE1 HIS 21 HE1 HIS 21 -3.938 -15.487 -4.351 172 HE2 HIS 21 HE2 HIS 21 -5.342 -13.381 -4.085 173 H ILE 22 H ILE 22 -2.819 -10.518 -7.426 174 HA ILE 22 HA ILE 22 -3.140 -13.055 -8.852 175 HB ILE 22 HB ILE 22 -4.451 -10.359 -9.367 176 HG12 ILE 22 HG12 ILE 22 -4.883 -10.955 -7.037 177 HG13 ILE 22 HG13 ILE 22 -6.343 -10.992 -8.028 178 HG21 ILE 22 HG21 ILE 22 -6.281 -11.743 -10.340 179 HG22 ILE 22 HG22 ILE 22 -4.758 -11.829 -11.229 180 HG23 ILE 22 HG23 ILE 22 -5.235 -13.174 -10.171 181 HD11 ILE 22 HD11 ILE 22 -6.289 -13.458 -8.055 182 HD12 ILE 22 HD12 ILE 22 -4.773 -13.446 -7.121 183 HD13 ILE 22 HD13 ILE 22 -6.276 -12.827 -6.400 184 H THR 23 H THR 23 -1.966 -9.769 -9.508 185 HA THR 23 HA THR 23 -1.235 -10.483 -12.296 186 HB THR 23 HB THR 23 -1.595 -8.270 -12.932 187 HG1 THR 23 HG1 THR 23 -2.251 -6.800 -11.138 188 HG21 THR 23 HG21 THR 23 -3.734 -9.522 -12.382 189 HG22 THR 23 HG22 THR 23 -3.759 -8.659 -10.825 190 HG23 THR 23 HG23 THR 23 -3.854 -7.755 -12.346 191 H ASN 24 H ASN 24 0.363 -9.923 -9.420 192 HA ASN 24 HA ASN 24 2.414 -9.479 -8.755 193 HB2 ASN 24 HB2 ASN 24 3.294 -10.107 -11.592 194 HB3 ASN 24 HB3 ASN 24 4.374 -9.897 -10.210 195 HD21 ASN 24 HD21 ASN 24 4.575 -11.556 -8.669 196 HD22 ASN 24 HD22 ASN 24 3.815 -13.130 -8.923 197 H ALA 25 H ALA 25 0.706 -7.268 -10.180 198 HA ALA 25 HA ALA 25 2.618 -5.164 -10.718 199 HB1 ALA 25 HB1 ALA 25 -0.312 -5.005 -9.895 200 HB2 ALA 25 HB2 ALA 25 0.653 -3.701 -10.610 201 HB3 ALA 25 HB3 ALA 25 0.289 -5.152 -11.563 202 H SER 26 H SER 26 2.904 -3.209 -9.386 203 HA SER 26 HA SER 26 2.321 -3.382 -6.535 204 HB2 SER 26 HB2 SER 26 4.642 -3.000 -5.787 205 HB3 SER 26 HB3 SER 26 4.385 -4.601 -6.480 206 HG SER 26 HG SER 26 5.371 -3.916 -8.375 207 H GLN 27 H GLN 27 2.534 -1.485 -5.371 208 HA GLN 27 HA GLN 27 3.094 1.057 -6.804 209 HB2 GLN 27 HB2 GLN 27 0.404 0.219 -5.652 210 HB3 GLN 27 HB3 GLN 27 0.902 1.913 -5.713 211 HG2 GLN 27 HG2 GLN 27 1.120 1.875 -8.099 212 HG3 GLN 27 HG3 GLN 27 0.714 0.145 -8.161 213 HE21 GLN 27 HE21 GLN 27 -1.090 2.280 -5.893 214 HE22 GLN 27 HE22 GLN 27 -2.525 2.342 -6.922 215 H PHE 28 H PHE 28 3.740 2.721 -5.508 216 HA PHE 28 HA PHE 28 4.042 2.210 -2.617 217 HB2 PHE 28 HB2 PHE 28 5.982 3.100 -3.450 218 HB3 PHE 28 HB3 PHE 28 5.141 4.268 -4.476 219 HD1 PHE 28 HD1 PHE 28 6.242 3.561 -1.005 220 HD2 PHE 28 HD2 PHE 28 4.325 6.392 -3.636 221 HE1 PHE 28 HE1 PHE 28 6.453 5.325 0.734 222 HE2 PHE 28 HE2 PHE 28 4.509 8.144 -1.892 223 HZ PHE 28 HZ PHE 28 5.587 7.618 0.296 224 H GLU 29 H GLU 29 2.008 4.122 -4.696 225 HA GLU 29 HA GLU 29 0.641 5.441 -2.438 226 HB2 GLU 29 HB2 GLU 29 1.080 6.715 -4.437 227 HB3 GLU 29 HB3 GLU 29 0.203 5.542 -5.440 228 HG2 GLU 29 HG2 GLU 29 -1.902 6.088 -4.304 229 HG3 GLU 29 HG3 GLU 29 -1.051 7.159 -3.184 230 H ARG 30 H ARG 30 -1.342 4.954 -1.678 231 HA ARG 30 HA ARG 30 -2.087 2.275 -1.575 232 HB2 ARG 30 HB2 ARG 30 -2.409 3.770 0.218 233 HB3 ARG 30 HB3 ARG 30 -3.482 4.816 -0.697 234 HG2 ARG 30 HG2 ARG 30 -4.241 1.927 -0.166 235 HG3 ARG 30 HG3 ARG 30 -4.428 3.152 1.097 236 HD2 ARG 30 HD2 ARG 30 -6.232 4.103 0.156 237 HD3 ARG 30 HD3 ARG 30 -5.540 4.092 -1.452 238 HE ARG 30 HE ARG 30 -6.352 1.911 -1.881 239 HH11 ARG 30 HH11 ARG 30 -8.972 1.967 1.105 240 HH12 ARG 30 HH12 ARG 30 -7.564 2.990 1.255 241 HH21 ARG 30 HH21 ARG 30 -8.086 0.757 -1.982 242 HH22 ARG 30 HH22 ARG 30 -9.203 0.608 -0.621 243 HA PRO 31 HA PRO 31 -4.228 1.803 -5.378 244 HB2 PRO 31 HB2 PRO 31 -5.145 -0.774 -5.171 245 HB3 PRO 31 HB3 PRO 31 -3.417 -0.330 -5.331 246 HG2 PRO 31 HG2 PRO 31 -4.923 -0.940 -2.763 247 HG3 PRO 31 HG3 PRO 31 -3.360 -1.622 -3.325 248 HD2 PRO 31 HD2 PRO 31 -3.450 0.457 -1.614 249 HD3 PRO 31 HD3 PRO 31 -2.231 0.405 -2.925 250 H SER 32 H SER 32 -6.100 2.557 -6.137 251 HA SER 32 HA SER 32 -8.606 2.434 -4.590 252 HB2 SER 32 HB2 SER 32 -9.481 3.828 -6.426 253 HB3 SER 32 HB3 SER 32 -8.020 4.508 -5.690 254 HG SER 32 HG SER 32 -7.957 4.565 -7.985 255 H GLY 33 H GLY 33 -7.128 0.675 -7.226 256 HA2 GLY 33 HA2 GLY 33 -8.879 -1.525 -7.228 257 HA3 GLY 33 HA3 GLY 33 -9.487 -0.426 -8.464 258 H1B XYP 101 H1 XYP 34 12.507 1.516 1.544 259 H2B XYP 101 H2 XYP 34 14.903 3.172 0.598 260 H3B XYP 101 H3 XYP 34 11.967 3.486 -0.179 261 H4B XYP 101 H4 XYP 34 14.236 2.374 -1.901 262 H5B1 XYP 101 H5E XYP 34 13.026 0.204 -1.766 263 H5B2 XYP 101 H5A XYP 34 11.843 0.921 -0.659 264 HO2B XYP 101 H2O XYP 34 12.614 3.692 2.246 265 HO3B XYP 101 H3O XYP 34 13.392 5.365 -0.247 266 HO4B XYP 101 H4O XYP 34 12.464 3.600 -2.868 Start of MODEL 9 1 H1 LYS 1 H1 LYS 1 -11.525 -3.775 3.062 2 H2 LYS 1 H2 LYS 1 -12.472 -2.635 2.363 3 H3 LYS 1 H3 LYS 1 -12.499 -2.838 3.983 4 HA LYS 1 HA LYS 1 -11.289 -0.863 3.430 5 HB2 LYS 1 HB2 LYS 1 -10.699 -2.200 5.432 6 HB3 LYS 1 HB3 LYS 1 -9.445 -3.029 4.531 7 HG2 LYS 1 HG2 LYS 1 -9.543 -0.017 5.035 8 HG3 LYS 1 HG3 LYS 1 -8.701 -1.187 6.050 9 HD2 LYS 1 HD2 LYS 1 -7.342 -1.838 3.971 10 HD3 LYS 1 HD3 LYS 1 -7.973 -0.364 3.216 11 HE2 LYS 1 HE2 LYS 1 -6.356 -0.547 5.792 12 HE3 LYS 1 HE3 LYS 1 -5.752 -0.030 4.214 13 HZ1 LYS 1 HZ1 LYS 1 -7.303 1.860 4.323 14 HZ2 LYS 1 HZ2 LYS 1 -7.830 1.387 5.799 15 HZ3 LYS 1 HZ3 LYS 1 -6.288 1.874 5.601 16 H LEU 2 H LEU 2 -8.993 -3.479 2.456 17 HA LEU 2 HA LEU 2 -8.010 -1.806 0.284 18 HB2 LEU 2 HB2 LEU 2 -6.656 -3.186 1.955 19 HB3 LEU 2 HB3 LEU 2 -7.197 -4.620 1.066 20 HG LEU 2 HG LEU 2 -6.071 -3.628 -0.983 21 HD11 LEU 2 HD11 LEU 2 -4.316 -1.877 -0.488 22 HD12 LEU 2 HD12 LEU 2 -5.961 -1.244 -0.354 23 HD13 LEU 2 HD13 LEU 2 -5.035 -1.649 1.112 24 HD21 LEU 2 HD21 LEU 2 -3.803 -4.197 -0.214 25 HD22 LEU 2 HD22 LEU 2 -4.328 -4.038 1.483 26 HD23 LEU 2 HD23 LEU 2 -4.999 -5.323 0.461 27 HA PRO 3 HA PRO 3 -10.640 -3.732 -2.749 28 HB2 PRO 3 HB2 PRO 3 -8.509 -3.353 -4.810 29 HB3 PRO 3 HB3 PRO 3 -10.198 -2.765 -4.804 30 HG2 PRO 3 HG2 PRO 3 -8.102 -1.104 -4.331 31 HG3 PRO 3 HG3 PRO 3 -9.648 -0.926 -3.437 32 HD2 PRO 3 HD2 PRO 3 -7.091 -2.266 -2.486 33 HD3 PRO 3 HD3 PRO 3 -8.185 -1.136 -1.638 34 HA PRO 4 HA PRO 4 -9.566 -8.007 -3.477 35 HB2 PRO 4 HB2 PRO 4 -10.584 -7.617 -6.295 36 HB3 PRO 4 HB3 PRO 4 -10.943 -8.939 -5.136 37 HG2 PRO 4 HG2 PRO 4 -12.730 -6.943 -5.496 38 HG3 PRO 4 HG3 PRO 4 -12.350 -7.502 -3.831 39 HD2 PRO 4 HD2 PRO 4 -11.256 -5.083 -5.297 40 HD3 PRO 4 HD3 PRO 4 -11.884 -5.210 -3.622 41 H GLY 5 H GLY 5 -7.850 -9.202 -4.146 42 HA2 GLY 5 HA2 GLY 5 -6.017 -9.913 -5.347 43 HA3 GLY 5 HA3 GLY 5 -6.250 -8.592 -6.506 44 H TRP 6 H TRP 6 -6.115 -6.532 -4.239 45 HA TRP 6 HA TRP 6 -3.196 -6.310 -4.101 46 HB2 TRP 6 HB2 TRP 6 -5.388 -4.534 -3.029 47 HB3 TRP 6 HB3 TRP 6 -3.670 -4.210 -2.856 48 HD1 TRP 6 HD1 TRP 6 -6.486 -4.068 -5.337 49 HE1 TRP 6 HE1 TRP 6 -5.761 -2.904 -7.497 50 HE3 TRP 6 HE3 TRP 6 -1.457 -3.788 -4.432 51 HZ2 TRP 6 HZ2 TRP 6 -3.266 -2.157 -8.779 52 HZ3 TRP 6 HZ3 TRP 6 0.082 -2.805 -6.153 53 HH2 TRP 6 HH2 TRP 6 -0.816 -2.036 -8.325 54 H GLU 7 H GLU 7 -1.894 -6.298 -2.308 55 HA GLU 7 HA GLU 7 -3.010 -6.732 0.388 56 HB2 GLU 7 HB2 GLU 7 -2.503 -8.991 -0.778 57 HB3 GLU 7 HB3 GLU 7 -0.800 -8.531 -0.669 58 HG2 GLU 7 HG2 GLU 7 -1.037 -8.359 1.810 59 HG3 GLU 7 HG3 GLU 7 -2.758 -8.734 1.673 60 H LYS 8 H LYS 8 -1.638 -5.947 2.035 61 HA LYS 8 HA LYS 8 0.248 -3.894 1.250 62 HB2 LYS 8 HB2 LYS 8 -0.738 -4.915 3.917 63 HB3 LYS 8 HB3 LYS 8 0.625 -3.786 3.810 64 HG2 LYS 8 HG2 LYS 8 -0.700 -2.196 2.523 65 HG3 LYS 8 HG3 LYS 8 -2.086 -3.304 2.514 66 HD2 LYS 8 HD2 LYS 8 -2.556 -1.680 4.181 67 HD3 LYS 8 HD3 LYS 8 -2.072 -3.133 5.074 68 HE2 LYS 8 HE2 LYS 8 0.252 -2.185 5.264 69 HE3 LYS 8 HE3 LYS 8 -0.291 -0.744 4.389 70 HZ1 LYS 8 HZ1 LYS 8 -1.845 -0.307 6.216 71 HZ2 LYS 8 HZ2 LYS 8 -1.352 -1.647 7.016 72 HZ3 LYS 8 HZ3 LYS 8 -0.323 -0.400 6.797 73 H ARG 9 H ARG 9 2.346 -3.665 1.564 74 HA ARG 9 HA ARG 9 4.078 -5.947 2.411 75 HB2 ARG 9 HB2 ARG 9 4.386 -4.310 -0.137 76 HB3 ARG 9 HB3 ARG 9 5.624 -5.401 0.485 77 HG2 ARG 9 HG2 ARG 9 2.887 -6.219 -0.440 78 HG3 ARG 9 HG3 ARG 9 4.384 -6.368 -1.378 79 HD2 ARG 9 HD2 ARG 9 5.321 -7.927 0.233 80 HD3 ARG 9 HD3 ARG 9 3.911 -7.768 1.291 81 HE ARG 9 HE ARG 9 4.073 -9.231 -1.285 82 HH11 ARG 9 HH11 ARG 9 2.534 -10.878 -1.575 83 HH12 ARG 9 HH12 ARG 9 1.146 -10.907 -0.486 84 HH21 ARG 9 HH21 ARG 9 1.907 -8.235 1.358 85 HH22 ARG 9 HH22 ARG 9 0.878 -9.631 1.014 86 H MET 10 H MET 10 6.345 -5.268 2.484 87 HA MET 10 HA MET 10 6.909 -2.490 3.169 88 HB2 MET 10 HB2 MET 10 5.816 -3.327 5.248 89 HB3 MET 10 HB3 MET 10 7.077 -4.569 5.381 90 HG2 MET 10 HG2 MET 10 8.777 -2.704 5.479 91 HG3 MET 10 HG3 MET 10 7.436 -1.549 5.540 92 HE1 MET 10 HE1 MET 10 5.304 -2.741 7.470 93 HE2 MET 10 HE2 MET 10 5.883 -2.237 9.070 94 HE3 MET 10 HE3 MET 10 5.968 -1.105 7.707 95 H PHE 11 H PHE 11 8.958 -1.972 2.825 96 HA PHE 11 HA PHE 11 10.943 -3.885 1.944 97 HB2 PHE 11 HB2 PHE 11 10.955 -0.896 2.340 98 HB3 PHE 11 HB3 PHE 11 12.403 -1.790 1.877 99 HD1 PHE 11 HD1 PHE 11 9.448 -0.190 0.626 100 HD2 PHE 11 HD2 PHE 11 12.326 -3.289 -0.225 101 HE1 PHE 11 HE1 PHE 11 8.858 -0.077 -1.782 102 HE2 PHE 11 HE2 PHE 11 11.717 -3.187 -2.632 103 HZ PHE 11 HZ PHE 11 9.985 -1.579 -3.414 104 H ALA 12 H ALA 12 13.163 -4.040 2.725 105 HA ALA 12 HA ALA 12 13.341 -4.798 5.452 106 HB1 ALA 12 HB1 ALA 12 14.764 -5.670 3.634 107 HB2 ALA 12 HB2 ALA 12 15.541 -4.077 3.463 108 HB3 ALA 12 HB3 ALA 12 15.749 -5.018 4.956 109 H ASN 13 H ASN 13 13.760 -1.623 4.033 110 HA ASN 13 HA ASN 13 15.057 -0.477 6.414 111 HB2 ASN 13 HB2 ASN 13 15.080 1.599 5.139 112 HB3 ASN 13 HB3 ASN 13 15.734 0.253 4.196 113 HD21 ASN 13 HD21 ASN 13 15.409 1.552 2.342 114 H GLY 14 H GLY 14 11.903 -1.389 5.915 115 HA2 GLY 14 HA2 GLY 14 10.135 -1.027 7.376 116 HA3 GLY 14 HA3 GLY 14 10.910 0.430 8.015 117 H THR 15 H THR 15 10.595 0.275 4.527 118 HA THR 15 HA THR 15 8.545 2.424 4.565 119 HB THR 15 HB THR 15 10.252 1.240 2.340 120 HG1 THR 15 HG1 THR 15 11.536 2.337 3.559 121 HG21 THR 15 HG21 THR 15 8.411 3.654 2.300 122 HG22 THR 15 HG22 THR 15 9.632 3.265 1.059 123 HG23 THR 15 HG23 THR 15 8.271 2.169 1.320 124 H VAL 16 H VAL 16 6.445 2.102 3.973 125 HA VAL 16 HA VAL 16 5.558 -0.665 3.406 126 HB VAL 16 HB VAL 16 4.136 1.879 4.269 127 HG11 VAL 16 HG11 VAL 16 2.508 0.618 2.947 128 HG12 VAL 16 HG12 VAL 16 2.907 -0.874 3.832 129 HG13 VAL 16 HG13 VAL 16 2.126 0.489 4.662 130 HG21 VAL 16 HG21 VAL 16 3.782 0.629 6.368 131 HG22 VAL 16 HG22 VAL 16 4.650 -0.767 5.692 132 HG23 VAL 16 HG23 VAL 16 5.508 0.758 6.009 133 H TYR 17 H TYR 17 4.347 -1.276 1.668 134 HA TYR 17 HA TYR 17 3.485 0.617 -0.400 135 HB2 TYR 17 HB2 TYR 17 4.726 -0.363 -2.212 136 HB3 TYR 17 HB3 TYR 17 5.853 0.206 -0.995 137 HD1 TYR 17 HD1 TYR 17 7.123 -1.431 0.420 138 HD2 TYR 17 HD2 TYR 17 4.613 -2.703 -2.855 139 HE1 TYR 17 HE1 TYR 17 8.419 -3.551 0.233 140 HE2 TYR 17 HE2 TYR 17 5.920 -4.807 -3.048 141 HH TYR 17 HH TYR 17 8.728 -5.478 -0.934 142 H TYR 18 H TYR 18 2.689 -0.947 -2.352 143 HA TYR 18 HA TYR 18 0.963 -3.069 -1.160 144 HB2 TYR 18 HB2 TYR 18 0.238 -0.919 -3.176 145 HB3 TYR 18 HB3 TYR 18 -0.803 -2.261 -2.682 146 HD1 TYR 18 HD1 TYR 18 -1.809 -2.365 -0.454 147 HD2 TYR 18 HD2 TYR 18 0.666 0.962 -1.653 148 HE1 TYR 18 HE1 TYR 18 -2.673 -1.036 1.449 149 HE2 TYR 18 HE2 TYR 18 -0.200 2.300 0.263 150 HH TYR 18 HH TYR 18 -2.638 0.977 2.532 151 H PHE 19 H PHE 19 0.493 -4.851 -2.334 152 HA PHE 19 HA PHE 19 1.714 -5.172 -5.012 153 HB2 PHE 19 HB2 PHE 19 3.379 -6.020 -3.640 154 HB3 PHE 19 HB3 PHE 19 2.205 -6.820 -2.580 155 HD1 PHE 19 HD1 PHE 19 4.000 -7.074 -5.787 156 HD2 PHE 19 HD2 PHE 19 1.249 -8.985 -3.073 157 HE1 PHE 19 HE1 PHE 19 4.309 -9.221 -6.993 158 HE2 PHE 19 HE2 PHE 19 1.604 -11.148 -4.246 159 HZ PHE 19 HZ PHE 19 3.114 -11.267 -6.219 160 H ASN 20 H ASN 20 0.652 -6.249 -6.532 161 HA ASN 20 HA ASN 20 -2.069 -7.238 -5.842 162 HB2 ASN 20 HB2 ASN 20 -1.755 -5.477 -7.580 163 HB3 ASN 20 HB3 ASN 20 -0.831 -6.638 -8.554 164 HD21 ASN 20 HD21 ASN 20 -4.581 -6.571 -9.374 165 HD22 ASN 20 HD22 ASN 20 -3.483 -5.237 -9.012 166 H HIS 21 H HIS 21 -2.086 -9.356 -5.292 167 HA HIS 21 HA HIS 21 0.058 -11.133 -6.152 168 HB2 HIS 21 HB2 HIS 21 -0.493 -12.400 -4.416 169 HB3 HIS 21 HB3 HIS 21 -1.386 -10.984 -3.878 170 HD2 HIS 21 HD2 HIS 21 -4.143 -11.054 -4.438 171 HE1 HIS 21 HE1 HIS 21 -4.350 -15.308 -4.628 172 HE2 HIS 21 HE2 HIS 21 -5.717 -13.171 -4.410 173 H ILE 22 H ILE 22 -2.901 -10.312 -7.633 174 HA ILE 22 HA ILE 22 -3.296 -12.833 -9.067 175 HB ILE 22 HB ILE 22 -4.402 -10.063 -9.667 176 HG12 ILE 22 HG12 ILE 22 -5.023 -10.587 -7.371 177 HG13 ILE 22 HG13 ILE 22 -6.421 -10.613 -8.447 178 HG21 ILE 22 HG21 ILE 22 -4.686 -11.525 -11.539 179 HG22 ILE 22 HG22 ILE 22 -5.311 -12.829 -10.508 180 HG23 ILE 22 HG23 ILE 22 -6.252 -11.338 -10.745 181 HD11 ILE 22 HD11 ILE 22 -6.499 -12.425 -6.785 182 HD12 ILE 22 HD12 ILE 22 -6.427 -13.081 -8.429 183 HD13 ILE 22 HD13 ILE 22 -4.973 -13.087 -7.403 184 H THR 23 H THR 23 -1.857 -9.643 -9.671 185 HA THR 23 HA THR 23 -1.021 -10.436 -12.408 186 HB THR 23 HB THR 23 -1.168 -8.198 -13.070 187 HG1 THR 23 HG1 THR 23 -1.855 -6.688 -11.318 188 HG21 THR 23 HG21 THR 23 -3.428 -7.531 -12.640 189 HG22 THR 23 HG22 THR 23 -3.416 -9.302 -12.696 190 HG23 THR 23 HG23 THR 23 -3.503 -8.460 -11.131 191 H ASN 24 H ASN 24 0.415 -9.924 -9.432 192 HA ASN 24 HA ASN 24 2.436 -9.621 -8.626 193 HB2 ASN 24 HB2 ASN 24 3.518 -10.295 -11.380 194 HB3 ASN 24 HB3 ASN 24 4.452 -10.235 -9.879 195 HD21 ASN 24 HD21 ASN 24 2.989 -12.378 -11.927 196 HD22 ASN 24 HD22 ASN 24 2.715 -13.674 -10.758 197 H ALA 25 H ALA 25 0.987 -7.320 -10.181 198 HA ALA 25 HA ALA 25 3.082 -5.352 -10.582 199 HB1 ALA 25 HB1 ALA 25 1.217 -3.763 -10.654 200 HB2 ALA 25 HB2 ALA 25 0.838 -5.195 -11.626 201 HB3 ALA 25 HB3 ALA 25 0.107 -4.989 -10.017 202 H SER 26 H SER 26 3.441 -3.441 -9.226 203 HA SER 26 HA SER 26 2.523 -3.482 -6.455 204 HB2 SER 26 HB2 SER 26 4.793 -3.367 -5.465 205 HB3 SER 26 HB3 SER 26 4.428 -4.929 -6.198 206 HG SER 26 HG SER 26 5.966 -2.848 -7.392 207 H GLN 27 H GLN 27 2.767 -1.541 -5.322 208 HA GLN 27 HA GLN 27 4.018 0.783 -6.598 209 HB2 GLN 27 HB2 GLN 27 1.980 2.070 -6.830 210 HB3 GLN 27 HB3 GLN 27 1.918 0.624 -7.850 211 HG2 GLN 27 HG2 GLN 27 0.353 -0.469 -6.434 212 HG3 GLN 27 HG3 GLN 27 0.523 0.720 -5.154 213 HE21 GLN 27 HE21 GLN 27 -2.599 1.438 -6.946 214 HE22 GLN 27 HE22 GLN 27 -1.958 0.015 -6.117 215 H PHE 28 H PHE 28 4.206 2.606 -5.258 216 HA PHE 28 HA PHE 28 3.982 2.100 -2.396 217 HB2 PHE 28 HB2 PHE 28 5.980 3.065 -2.901 218 HB3 PHE 28 HB3 PHE 28 5.275 4.212 -4.047 219 HD1 PHE 28 HD1 PHE 28 4.215 6.294 -3.330 220 HD2 PHE 28 HD2 PHE 28 5.965 3.574 -0.474 221 HE1 PHE 28 HE1 PHE 28 4.113 8.058 -1.591 222 HE2 PHE 28 HE2 PHE 28 5.881 5.349 1.262 223 HZ PHE 28 HZ PHE 28 4.954 7.592 0.710 224 H GLU 29 H GLU 29 2.328 4.362 -4.558 225 HA GLU 29 HA GLU 29 0.629 5.491 -2.489 226 HB2 GLU 29 HB2 GLU 29 1.140 6.602 -4.636 227 HB3 GLU 29 HB3 GLU 29 0.251 5.327 -5.509 228 HG2 GLU 29 HG2 GLU 29 -1.835 5.977 -4.400 229 HG3 GLU 29 HG3 GLU 29 -0.975 7.150 -3.398 230 H ARG 30 H ARG 30 -1.503 4.866 -1.875 231 HA ARG 30 HA ARG 30 -1.881 2.053 -2.009 232 HB2 ARG 30 HB2 ARG 30 -3.795 2.284 -0.617 233 HB3 ARG 30 HB3 ARG 30 -2.533 3.342 -0.039 234 HG2 ARG 30 HG2 ARG 30 -3.688 5.210 -0.382 235 HG3 ARG 30 HG3 ARG 30 -4.447 4.683 -1.898 236 HD2 ARG 30 HD2 ARG 30 -5.267 3.731 0.871 237 HD3 ARG 30 HD3 ARG 30 -6.075 5.018 -0.037 238 HE ARG 30 HE ARG 30 -6.132 2.875 -1.806 239 HH11 ARG 30 HH11 ARG 30 -7.352 3.275 1.464 240 HH12 ARG 30 HH12 ARG 30 -8.653 2.140 1.183 241 HH21 ARG 30 HH21 ARG 30 -7.819 1.613 -2.106 242 HH22 ARG 30 HH22 ARG 30 -8.905 1.197 -0.786 243 HA PRO 31 HA PRO 31 -4.366 1.056 -5.462 244 HB2 PRO 31 HB2 PRO 31 -6.145 -0.343 -3.462 245 HB3 PRO 31 HB3 PRO 31 -5.547 -0.945 -5.040 246 HG2 PRO 31 HG2 PRO 31 -4.355 -1.731 -2.746 247 HG3 PRO 31 HG3 PRO 31 -3.315 -1.194 -4.115 248 HD2 PRO 31 HD2 PRO 31 -4.200 0.377 -1.682 249 HD3 PRO 31 HD3 PRO 31 -2.579 0.220 -2.433 250 H SER 32 H SER 32 -5.907 2.111 -6.619 251 HA SER 32 HA SER 32 -8.017 3.701 -5.309 252 HB2 SER 32 HB2 SER 32 -8.482 4.468 -7.604 253 HB3 SER 32 HB3 SER 32 -6.787 4.695 -7.143 254 HG SER 32 HG SER 32 -7.017 3.796 -9.243 255 H GLY 33 H GLY 33 -7.722 0.582 -6.843 256 HA2 GLY 33 HA2 GLY 33 -10.183 -0.497 -6.071 257 HA3 GLY 33 HA3 GLY 33 -10.444 0.178 -7.680 258 H1B XYP 101 H1 XYP 34 12.660 2.303 1.611 259 H2B XYP 101 H2 XYP 34 15.332 2.739 0.158 260 H3B XYP 101 H3 XYP 34 12.569 3.906 -0.452 261 H4B XYP 101 H4 XYP 34 14.188 1.854 -2.045 262 H5B1 XYP 101 H5E XYP 34 12.455 0.223 -1.420 263 H5B2 XYP 101 H5A XYP 34 11.590 1.451 -0.472 264 HO2B XYP 101 H2O XYP 34 14.814 4.962 0.758 265 HO3B XYP 101 H3O XYP 34 13.758 4.567 -2.391 266 HO4B XYP 101 H4O XYP 34 12.282 1.875 -3.345 Start of MODEL 10 1 H1 LYS 1 H1 LYS 1 -11.469 -3.616 3.055 2 H2 LYS 1 H2 LYS 1 -12.363 -2.390 2.434 3 H3 LYS 1 H3 LYS 1 -12.271 -2.598 4.051 4 HA LYS 1 HA LYS 1 -10.936 -0.736 3.389 5 HB2 LYS 1 HB2 LYS 1 -10.227 -2.021 5.365 6 HB3 LYS 1 HB3 LYS 1 -9.273 -3.097 4.347 7 HG2 LYS 1 HG2 LYS 1 -7.925 -1.011 3.618 8 HG3 LYS 1 HG3 LYS 1 -8.837 -0.119 4.838 9 HD2 LYS 1 HD2 LYS 1 -6.763 -0.699 5.833 10 HD3 LYS 1 HD3 LYS 1 -7.955 -1.791 6.556 11 HE2 LYS 1 HE2 LYS 1 -7.257 -3.565 4.908 12 HE3 LYS 1 HE3 LYS 1 -6.052 -2.451 4.245 13 HZ1 LYS 1 HZ1 LYS 1 -6.111 -3.455 7.044 14 HZ2 LYS 1 HZ2 LYS 1 -5.075 -3.953 5.887 15 HZ3 LYS 1 HZ3 LYS 1 -4.996 -2.419 6.451 16 H LEU 2 H LEU 2 -9.036 -3.569 2.247 17 HA LEU 2 HA LEU 2 -7.857 -1.893 0.160 18 HB2 LEU 2 HB2 LEU 2 -6.601 -3.244 1.870 19 HB3 LEU 2 HB3 LEU 2 -7.191 -4.710 1.069 20 HG LEU 2 HG LEU 2 -5.941 -3.967 -0.997 21 HD11 LEU 2 HD11 LEU 2 -4.180 -2.237 -0.695 22 HD12 LEU 2 HD12 LEU 2 -5.778 -1.523 -0.517 23 HD13 LEU 2 HD13 LEU 2 -4.814 -1.874 0.933 24 HD21 LEU 2 HD21 LEU 2 -3.715 -4.509 -0.064 25 HD22 LEU 2 HD22 LEU 2 -4.328 -4.216 1.579 26 HD23 LEU 2 HD23 LEU 2 -4.974 -5.559 0.617 27 HA PRO 3 HA PRO 3 -10.383 -3.671 -3.004 28 HB2 PRO 3 HB2 PRO 3 -8.200 -3.403 -5.011 29 HB3 PRO 3 HB3 PRO 3 -9.819 -2.648 -4.987 30 HG2 PRO 3 HG2 PRO 3 -7.549 -1.223 -4.442 31 HG3 PRO 3 HG3 PRO 3 -9.091 -0.910 -3.578 32 HD2 PRO 3 HD2 PRO 3 -6.722 -2.551 -2.630 33 HD3 PRO 3 HD3 PRO 3 -7.680 -1.312 -1.778 34 HA PRO 4 HA PRO 4 -9.579 -7.977 -3.770 35 HB2 PRO 4 HB2 PRO 4 -10.303 -7.510 -6.666 36 HB3 PRO 4 HB3 PRO 4 -10.875 -8.794 -5.550 37 HG2 PRO 4 HG2 PRO 4 -12.451 -6.658 -6.066 38 HG3 PRO 4 HG3 PRO 4 -12.277 -7.241 -4.376 39 HD2 PRO 4 HD2 PRO 4 -10.854 -4.925 -5.722 40 HD3 PRO 4 HD3 PRO 4 -11.645 -4.993 -4.113 41 H GLY 5 H GLY 5 -7.898 -9.299 -4.302 42 HA2 GLY 5 HA2 GLY 5 -5.950 -10.091 -5.199 43 HA3 GLY 5 HA3 GLY 5 -6.057 -8.871 -6.484 44 H TRP 6 H TRP 6 -6.069 -6.703 -4.218 45 HA TRP 6 HA TRP 6 -3.171 -6.400 -4.091 46 HB2 TRP 6 HB2 TRP 6 -5.444 -4.681 -3.123 47 HB3 TRP 6 HB3 TRP 6 -3.757 -4.305 -2.809 48 HD1 TRP 6 HD1 TRP 6 -6.327 -4.315 -5.561 49 HE1 TRP 6 HE1 TRP 6 -5.421 -3.151 -7.668 50 HE3 TRP 6 HE3 TRP 6 -1.429 -3.942 -4.195 51 HZ2 TRP 6 HZ2 TRP 6 -2.847 -2.305 -8.683 52 HZ3 TRP 6 HZ3 TRP 6 0.255 -3.022 -5.783 53 HH2 TRP 6 HH2 TRP 6 -0.439 -2.209 -8.022 54 H GLU 7 H GLU 7 -1.834 -6.277 -2.368 55 HA GLU 7 HA GLU 7 -2.750 -6.947 0.358 56 HB2 GLU 7 HB2 GLU 7 -2.198 -9.099 -0.603 57 HB3 GLU 7 HB3 GLU 7 -0.750 -8.458 -1.351 58 HG2 GLU 7 HG2 GLU 7 -0.179 -9.911 0.463 59 HG3 GLU 7 HG3 GLU 7 0.396 -8.283 0.758 60 H LYS 8 H LYS 8 -1.487 -6.016 1.978 61 HA LYS 8 HA LYS 8 0.281 -3.822 1.184 62 HB2 LYS 8 HB2 LYS 8 -0.744 -4.815 3.844 63 HB3 LYS 8 HB3 LYS 8 0.646 -3.717 3.766 64 HG2 LYS 8 HG2 LYS 8 -0.638 -2.146 2.359 65 HG3 LYS 8 HG3 LYS 8 -2.057 -3.208 2.472 66 HD2 LYS 8 HD2 LYS 8 -2.393 -1.436 4.015 67 HD3 LYS 8 HD3 LYS 8 -1.971 -2.852 4.999 68 HE2 LYS 8 HE2 LYS 8 0.388 -2.031 5.135 69 HE3 LYS 8 HE3 LYS 8 -0.038 -0.646 4.122 70 HZ1 LYS 8 HZ1 LYS 8 -1.567 0.079 5.872 71 HZ2 LYS 8 HZ2 LYS 8 -1.174 -1.204 6.810 72 HZ3 LYS 8 HZ3 LYS 8 -0.057 -0.064 6.473 73 H ARG 9 H ARG 9 2.364 -3.525 1.517 74 HA ARG 9 HA ARG 9 4.160 -5.813 2.206 75 HB2 ARG 9 HB2 ARG 9 4.100 -4.084 -0.289 76 HB3 ARG 9 HB3 ARG 9 5.602 -4.789 0.262 77 HG2 ARG 9 HG2 ARG 9 3.124 -6.344 -0.472 78 HG3 ARG 9 HG3 ARG 9 4.532 -6.103 -1.511 79 HD2 ARG 9 HD2 ARG 9 4.484 -7.666 1.099 80 HD3 ARG 9 HD3 ARG 9 4.622 -8.321 -0.540 81 HE ARG 9 HE ARG 9 6.798 -7.196 -0.779 82 HH11 ARG 9 HH11 ARG 9 8.670 -6.501 0.088 83 HH12 ARG 9 HH12 ARG 9 8.908 -6.545 1.822 84 HH21 ARG 9 HH21 ARG 9 5.844 -7.843 2.541 85 HH22 ARG 9 HH22 ARG 9 7.404 -7.350 3.144 86 H MET 10 H MET 10 6.347 -5.232 2.581 87 HA MET 10 HA MET 10 7.016 -2.449 3.085 88 HB2 MET 10 HB2 MET 10 5.761 -3.163 5.176 89 HB3 MET 10 HB3 MET 10 7.075 -4.317 5.482 90 HG2 MET 10 HG2 MET 10 8.677 -2.363 5.499 91 HG3 MET 10 HG3 MET 10 7.291 -1.288 5.254 92 HE1 MET 10 HE1 MET 10 9.404 -3.415 7.668 93 HE2 MET 10 HE2 MET 10 8.394 -3.567 9.122 94 HE3 MET 10 HE3 MET 10 7.961 -4.454 7.647 95 H PHE 11 H PHE 11 9.107 -2.048 2.851 96 HA PHE 11 HA PHE 11 11.054 -4.109 2.265 97 HB2 PHE 11 HB2 PHE 11 11.199 -1.104 2.484 98 HB3 PHE 11 HB3 PHE 11 12.623 -2.101 2.189 99 HD1 PHE 11 HD1 PHE 11 9.839 -0.449 0.624 100 HD2 PHE 11 HD2 PHE 11 12.642 -3.697 0.168 101 HE1 PHE 11 HE1 PHE 11 9.438 -0.451 -1.824 102 HE2 PHE 11 HE2 PHE 11 12.221 -3.710 -2.280 103 HZ PHE 11 HZ PHE 11 10.623 -2.085 -3.280 104 H ALA 12 H ALA 12 13.172 -4.342 3.262 105 HA ALA 12 HA ALA 12 13.052 -4.901 6.041 106 HB1 ALA 12 HB1 ALA 12 14.560 -6.007 4.429 107 HB2 ALA 12 HB2 ALA 12 15.466 -4.489 4.218 108 HB3 ALA 12 HB3 ALA 12 15.471 -5.322 5.787 109 H ASN 13 H ASN 13 13.829 -1.882 4.442 110 HA ASN 13 HA ASN 13 15.016 -0.647 6.831 111 HB2 ASN 13 HB2 ASN 13 15.264 1.327 5.426 112 HB3 ASN 13 HB3 ASN 13 15.887 -0.121 4.622 113 HD21 ASN 13 HD21 ASN 13 15.777 1.087 2.679 114 H GLY 14 H GLY 14 11.850 -1.396 6.165 115 HA2 GLY 14 HA2 GLY 14 10.021 -0.825 7.482 116 HA3 GLY 14 HA3 GLY 14 10.843 0.632 8.061 117 H THR 15 H THR 15 10.747 0.224 4.580 118 HA THR 15 HA THR 15 8.822 2.468 4.320 119 HB THR 15 HB THR 15 10.595 1.049 2.294 120 HG1 THR 15 HG1 THR 15 11.871 2.136 3.537 121 HG21 THR 15 HG21 THR 15 8.731 2.042 1.114 122 HG22 THR 15 HG22 THR 15 8.927 3.570 2.013 123 HG23 THR 15 HG23 THR 15 10.178 3.024 0.866 124 H VAL 16 H VAL 16 6.738 2.172 3.725 125 HA VAL 16 HA VAL 16 5.772 -0.585 3.253 126 HB VAL 16 HB VAL 16 4.431 2.039 3.987 127 HG11 VAL 16 HG11 VAL 16 3.081 -0.665 3.620 128 HG12 VAL 16 HG12 VAL 16 2.350 0.765 4.377 129 HG13 VAL 16 HG13 VAL 16 2.775 0.809 2.670 130 HG21 VAL 16 HG21 VAL 16 5.711 0.915 5.797 131 HG22 VAL 16 HG22 VAL 16 3.972 0.884 6.117 132 HG23 VAL 16 HG23 VAL 16 4.784 -0.576 5.518 133 H TYR 17 H TYR 17 4.546 -1.227 1.537 134 HA TYR 17 HA TYR 17 3.749 0.606 -0.590 135 HB2 TYR 17 HB2 TYR 17 4.875 -0.505 -2.405 136 HB3 TYR 17 HB3 TYR 17 6.043 0.118 -1.259 137 HD1 TYR 17 HD1 TYR 17 7.324 -1.468 0.246 138 HD2 TYR 17 HD2 TYR 17 4.811 -2.861 -2.987 139 HE1 TYR 17 HE1 TYR 17 8.659 -3.571 0.086 140 HE2 TYR 17 HE2 TYR 17 6.184 -4.905 -3.185 141 HH TYR 17 HH TYR 17 8.236 -5.857 -2.575 142 H TYR 18 H TYR 18 2.893 -1.008 -2.483 143 HA TYR 18 HA TYR 18 1.089 -3.027 -1.244 144 HB2 TYR 18 HB2 TYR 18 0.403 -0.864 -3.266 145 HB3 TYR 18 HB3 TYR 18 -0.664 -2.187 -2.782 146 HD1 TYR 18 HD1 TYR 18 0.957 0.951 -1.649 147 HD2 TYR 18 HD2 TYR 18 -1.789 -2.222 -0.647 148 HE1 TYR 18 HE1 TYR 18 0.206 2.239 0.339 149 HE2 TYR 18 HE2 TYR 18 -2.606 -0.894 1.288 150 HH TYR 18 HH TYR 18 -1.130 2.230 2.206 151 H PHE 19 H PHE 19 0.578 -4.812 -2.420 152 HA PHE 19 HA PHE 19 1.772 -5.172 -5.110 153 HB2 PHE 19 HB2 PHE 19 3.458 -5.981 -3.687 154 HB3 PHE 19 HB3 PHE 19 2.276 -6.816 -2.659 155 HD1 PHE 19 HD1 PHE 19 1.496 -9.050 -3.143 156 HD2 PHE 19 HD2 PHE 19 3.999 -6.908 -5.935 157 HE1 PHE 19 HE1 PHE 19 1.913 -11.151 -4.394 158 HE2 PHE 19 HE2 PHE 19 4.366 -9.007 -7.214 159 HZ PHE 19 HZ PHE 19 3.325 -11.134 -6.442 160 H ASN 20 H ASN 20 0.590 -6.261 -6.581 161 HA ASN 20 HA ASN 20 -1.997 -7.399 -5.641 162 HB2 ASN 20 HB2 ASN 20 -1.964 -5.636 -7.431 163 HB3 ASN 20 HB3 ASN 20 -1.140 -6.802 -8.486 164 HD21 ASN 20 HD21 ASN 20 -5.113 -6.999 -8.194 165 HD22 ASN 20 HD22 ASN 20 -4.165 -5.610 -7.664 166 H HIS 21 H HIS 21 -1.984 -9.520 -5.203 167 HA HIS 21 HA HIS 21 0.218 -11.184 -6.167 168 HB2 HIS 21 HB2 HIS 21 -0.190 -12.516 -4.430 169 HB3 HIS 21 HB3 HIS 21 -1.044 -11.108 -3.810 170 HD2 HIS 21 HD2 HIS 21 -3.851 -11.181 -4.254 171 HE1 HIS 21 HE1 HIS 21 -4.039 -15.439 -4.332 172 HE2 HIS 21 HE2 HIS 21 -5.408 -13.305 -4.098 173 H ILE 22 H ILE 22 -2.864 -10.518 -7.478 174 HA ILE 22 HA ILE 22 -3.198 -13.064 -8.882 175 HB ILE 22 HB ILE 22 -4.495 -10.368 -9.428 176 HG12 ILE 22 HG12 ILE 22 -4.946 -10.929 -7.095 177 HG13 ILE 22 HG13 ILE 22 -6.400 -10.994 -8.093 178 HG21 ILE 22 HG21 ILE 22 -6.323 -11.754 -10.398 179 HG22 ILE 22 HG22 ILE 22 -4.794 -11.855 -11.275 180 HG23 ILE 22 HG23 ILE 22 -5.285 -13.188 -10.208 181 HD11 ILE 22 HD11 ILE 22 -4.815 -13.422 -7.141 182 HD12 ILE 22 HD12 ILE 22 -6.329 -12.808 -6.440 183 HD13 ILE 22 HD13 ILE 22 -6.324 -13.460 -8.086 184 H THR 23 H THR 23 -2.012 -9.786 -9.565 185 HA THR 23 HA THR 23 -1.257 -10.537 -12.336 186 HB THR 23 HB THR 23 -1.577 -8.317 -12.988 187 HG1 THR 23 HG1 THR 23 -2.257 -6.840 -11.209 188 HG21 THR 23 HG21 THR 23 -3.730 -9.557 -12.483 189 HG22 THR 23 HG22 THR 23 -3.783 -8.698 -10.925 190 HG23 THR 23 HG23 THR 23 -3.844 -7.788 -12.447 191 H ASN 24 H ASN 24 0.316 -9.950 -9.446 192 HA ASN 24 HA ASN 24 2.363 -9.521 -8.761 193 HB2 ASN 24 HB2 ASN 24 3.315 -10.110 -11.582 194 HB3 ASN 24 HB3 ASN 24 4.328 -10.009 -10.135 195 HD21 ASN 24 HD21 ASN 24 2.877 -12.215 -12.127 196 HD22 ASN 24 HD22 ASN 24 2.748 -13.537 -10.964 197 H ALA 25 H ALA 25 0.673 -7.313 -10.179 198 HA ALA 25 HA ALA 25 2.588 -5.219 -10.760 199 HB1 ALA 25 HB1 ALA 25 -0.330 -5.043 -9.897 200 HB2 ALA 25 HB2 ALA 25 0.629 -3.750 -10.639 201 HB3 ALA 25 HB3 ALA 25 0.246 -5.208 -11.574 202 H SER 26 H SER 26 2.871 -3.242 -9.451 203 HA SER 26 HA SER 26 2.354 -3.411 -6.578 204 HB2 SER 26 HB2 SER 26 4.677 -2.961 -5.910 205 HB3 SER 26 HB3 SER 26 4.465 -4.556 -6.633 206 HG SER 26 HG SER 26 6.311 -3.499 -7.455 207 H GLN 27 H GLN 27 2.533 -1.502 -5.429 208 HA GLN 27 HA GLN 27 2.970 1.052 -6.880 209 HB2 GLN 27 HB2 GLN 27 0.350 0.139 -5.633 210 HB3 GLN 27 HB3 GLN 27 0.803 1.845 -5.680 211 HG2 GLN 27 HG2 GLN 27 0.935 1.854 -8.075 212 HG3 GLN 27 HG3 GLN 27 0.572 0.117 -8.153 213 HE21 GLN 27 HE21 GLN 27 -1.185 2.232 -5.811 214 HE22 GLN 27 HE22 GLN 27 -2.669 2.229 -6.769 215 H PHE 28 H PHE 28 3.681 2.707 -5.618 216 HA PHE 28 HA PHE 28 4.094 2.210 -2.738 217 HB2 PHE 28 HB2 PHE 28 5.997 3.108 -3.644 218 HB3 PHE 28 HB3 PHE 28 5.112 4.262 -4.650 219 HD1 PHE 28 HD1 PHE 28 6.325 3.588 -1.204 220 HD2 PHE 28 HD2 PHE 28 4.345 6.399 -3.813 221 HE1 PHE 28 HE1 PHE 28 6.600 5.373 0.504 222 HE2 PHE 28 HE2 PHE 28 4.600 8.173 -2.098 223 HZ PHE 28 HZ PHE 28 5.737 7.667 0.061 224 H GLU 29 H GLU 29 1.977 4.120 -4.737 225 HA GLU 29 HA GLU 29 0.702 5.431 -2.422 226 HB2 GLU 29 HB2 GLU 29 1.054 6.704 -4.446 227 HB3 GLU 29 HB3 GLU 29 0.121 5.533 -5.402 228 HG2 GLU 29 HG2 GLU 29 -1.919 6.084 -4.156 229 HG3 GLU 29 HG3 GLU 29 -1.009 7.150 -3.080 230 H ARG 30 H ARG 30 -1.181 4.890 -1.532 231 HA ARG 30 HA ARG 30 -2.054 2.248 -1.459 232 HB2 ARG 30 HB2 ARG 30 -2.314 3.626 0.414 233 HB3 ARG 30 HB3 ARG 30 -3.147 4.878 -0.490 234 HG2 ARG 30 HG2 ARG 30 -4.593 3.733 1.098 235 HG3 ARG 30 HG3 ARG 30 -5.177 3.658 -0.572 236 HD2 ARG 30 HD2 ARG 30 -3.754 1.269 -0.259 237 HD3 ARG 30 HD3 ARG 30 -4.452 1.502 1.330 238 HE ARG 30 HE ARG 30 -5.887 1.175 -1.272 239 HH11 ARG 30 HH11 ARG 30 -7.957 0.815 -1.352 240 HH12 ARG 30 HH12 ARG 30 -8.889 0.532 0.119 241 HH21 ARG 30 HH21 ARG 30 -6.317 1.432 2.214 242 HH22 ARG 30 HH22 ARG 30 -8.020 1.065 2.066 243 HA PRO 31 HA PRO 31 -4.536 2.139 -5.229 244 HB2 PRO 31 HB2 PRO 31 -5.406 -0.480 -5.081 245 HB3 PRO 31 HB3 PRO 31 -3.767 0.011 -5.605 246 HG2 PRO 31 HG2 PRO 31 -4.626 -0.864 -2.816 247 HG3 PRO 31 HG3 PRO 31 -3.235 -1.448 -3.789 248 HD2 PRO 31 HD2 PRO 31 -2.907 0.418 -1.923 249 HD3 PRO 31 HD3 PRO 31 -2.063 0.588 -3.490 250 H SER 32 H SER 32 -6.472 3.075 -5.404 251 HA SER 32 HA SER 32 -8.428 3.010 -3.238 252 HB2 SER 32 HB2 SER 32 -9.588 4.697 -4.612 253 HB3 SER 32 HB3 SER 32 -7.886 5.097 -4.334 254 HG SER 32 HG SER 32 -8.516 5.395 -6.522 255 H GLY 33 H GLY 33 -8.063 1.205 -6.166 256 HA2 GLY 33 HA2 GLY 33 -10.382 -0.438 -5.770 257 HA3 GLY 33 HA3 GLY 33 -10.701 0.756 -7.028 258 H1B XYP 101 H1 XYP 34 13.144 1.956 1.706 259 H2B XYP 101 H2 XYP 34 15.932 2.130 0.428 260 H3B XYP 101 H3 XYP 34 13.305 3.436 -0.441 261 H4B XYP 101 H4 XYP 34 14.881 1.192 -1.801 262 H5B1 XYP 101 H5E XYP 34 13.006 -0.284 -1.210 263 H5B2 XYP 101 H5A XYP 34 12.161 1.049 -0.397 264 HO2B XYP 101 H2O XYP 34 15.532 4.412 0.866 265 HO3B XYP 101 H3O XYP 34 14.666 3.902 -2.324 266 HO4B XYP 101 H4O XYP 34 13.070 1.260 -3.229 Start of MODEL 11 1 H1 LYS 1 H1 LYS 1 -12.143 -1.854 4.119 2 H2 LYS 1 H2 LYS 1 -11.240 -3.004 3.389 3 H3 LYS 1 H3 LYS 1 -12.357 -2.166 2.531 4 HA LYS 1 HA LYS 1 -11.175 -0.116 2.811 5 HB2 LYS 1 HB2 LYS 1 -10.151 -0.498 4.958 6 HB3 LYS 1 HB3 LYS 1 -9.169 -1.823 4.327 7 HG2 LYS 1 HG2 LYS 1 -7.941 -0.234 2.857 8 HG3 LYS 1 HG3 LYS 1 -8.946 1.096 3.461 9 HD2 LYS 1 HD2 LYS 1 -8.019 0.842 5.695 10 HD3 LYS 1 HD3 LYS 1 -7.158 -0.641 5.221 11 HE2 LYS 1 HE2 LYS 1 -5.808 0.608 3.590 12 HE3 LYS 1 HE3 LYS 1 -6.696 2.097 3.958 13 HZ1 LYS 1 HZ1 LYS 1 -5.028 0.609 5.912 14 HZ2 LYS 1 HZ2 LYS 1 -4.591 1.998 5.166 15 HZ3 LYS 1 HZ3 LYS 1 -5.834 1.996 6.223 16 H LEU 2 H LEU 2 -8.948 -2.910 2.309 17 HA LEU 2 HA LEU 2 -7.883 -1.602 0.001 18 HB2 LEU 2 HB2 LEU 2 -6.686 -2.914 1.806 19 HB3 LEU 2 HB3 LEU 2 -7.297 -4.390 1.038 20 HG LEU 2 HG LEU 2 -6.034 -3.673 -1.047 21 HD11 LEU 2 HD11 LEU 2 -4.211 -2.007 -0.718 22 HD12 LEU 2 HD12 LEU 2 -5.789 -1.237 -0.561 23 HD13 LEU 2 HD13 LEU 2 -4.851 -1.622 0.898 24 HD21 LEU 2 HD21 LEU 2 -5.113 -5.313 0.545 25 HD22 LEU 2 HD22 LEU 2 -3.828 -4.303 -0.143 26 HD23 LEU 2 HD23 LEU 2 -4.409 -3.999 1.510 27 HA PRO 3 HA PRO 3 -10.473 -3.511 -3.042 28 HB2 PRO 3 HB2 PRO 3 -8.303 -3.329 -5.072 29 HB3 PRO 3 HB3 PRO 3 -9.922 -2.570 -5.069 30 HG2 PRO 3 HG2 PRO 3 -7.648 -1.133 -4.607 31 HG3 PRO 3 HG3 PRO 3 -9.183 -0.773 -3.753 32 HD2 PRO 3 HD2 PRO 3 -6.814 -2.381 -2.727 33 HD3 PRO 3 HD3 PRO 3 -7.758 -1.094 -1.934 34 HA PRO 4 HA PRO 4 -9.618 -7.850 -3.666 35 HB2 PRO 4 HB2 PRO 4 -10.433 -7.466 -6.550 36 HB3 PRO 4 HB3 PRO 4 -10.951 -8.731 -5.387 37 HG2 PRO 4 HG2 PRO 4 -12.578 -6.635 -5.911 38 HG3 PRO 4 HG3 PRO 4 -12.348 -7.175 -4.214 39 HD2 PRO 4 HD2 PRO 4 -11.001 -4.870 -5.653 40 HD3 PRO 4 HD3 PRO 4 -11.749 -4.911 -4.024 41 H GLY 5 H GLY 5 -7.927 -9.152 -4.213 42 HA2 GLY 5 HA2 GLY 5 -6.043 -9.966 -5.244 43 HA3 GLY 5 HA3 GLY 5 -6.181 -8.708 -6.487 44 H TRP 6 H TRP 6 -6.094 -6.601 -4.179 45 HA TRP 6 HA TRP 6 -3.173 -6.378 -4.066 46 HB2 TRP 6 HB2 TRP 6 -5.382 -4.586 -3.067 47 HB3 TRP 6 HB3 TRP 6 -3.673 -4.260 -2.828 48 HD1 TRP 6 HD1 TRP 6 -6.353 -4.265 -5.486 49 HE1 TRP 6 HE1 TRP 6 -5.554 -3.011 -7.581 50 HE3 TRP 6 HE3 TRP 6 -1.401 -3.844 -4.293 51 HZ2 TRP 6 HZ2 TRP 6 -3.014 -2.219 -8.719 52 HZ3 TRP 6 HZ3 TRP 6 0.211 -2.882 -5.944 53 HH2 TRP 6 HH2 TRP 6 -0.585 -2.087 -8.150 54 H GLU 7 H GLU 7 -1.849 -6.349 -2.292 55 HA GLU 7 HA GLU 7 -2.946 -6.722 0.419 56 HB2 GLU 7 HB2 GLU 7 -2.455 -9.010 -0.670 57 HB3 GLU 7 HB3 GLU 7 -0.750 -8.544 -0.634 58 HG2 GLU 7 HG2 GLU 7 -0.871 -8.298 1.831 59 HG3 GLU 7 HG3 GLU 7 -2.606 -8.625 1.793 60 H LYS 8 H LYS 8 -1.568 -5.878 2.034 61 HA LYS 8 HA LYS 8 0.338 -3.869 1.174 62 HB2 LYS 8 HB2 LYS 8 -0.638 -4.808 3.879 63 HB3 LYS 8 HB3 LYS 8 0.739 -3.698 3.727 64 HG2 LYS 8 HG2 LYS 8 -0.572 -2.137 2.402 65 HG3 LYS 8 HG3 LYS 8 -1.975 -3.226 2.428 66 HD2 LYS 8 HD2 LYS 8 -2.409 -1.514 4.011 67 HD3 LYS 8 HD3 LYS 8 -1.998 -2.957 4.961 68 HE2 LYS 8 HE2 LYS 8 0.362 -2.098 5.159 69 HE3 LYS 8 HE3 LYS 8 -0.112 -0.655 4.253 70 HZ1 LYS 8 HZ1 LYS 8 -1.248 -1.469 6.877 71 HZ2 LYS 8 HZ2 LYS 8 -0.155 -0.277 6.657 72 HZ3 LYS 8 HZ3 LYS 8 -1.661 -0.119 6.049 73 H ARG 9 H ARG 9 2.435 -3.669 1.475 74 HA ARG 9 HA ARG 9 4.203 -5.989 2.138 75 HB2 ARG 9 HB2 ARG 9 3.717 -4.724 -0.517 76 HB3 ARG 9 HB3 ARG 9 5.393 -4.667 -0.038 77 HG2 ARG 9 HG2 ARG 9 4.841 -6.614 -1.449 78 HG3 ARG 9 HG3 ARG 9 5.564 -7.063 0.116 79 HD2 ARG 9 HD2 ARG 9 3.466 -7.723 1.015 80 HD3 ARG 9 HD3 ARG 9 2.561 -6.993 -0.338 81 HE ARG 9 HE ARG 9 4.216 -8.981 -1.454 82 HH11 ARG 9 HH11 ARG 9 3.360 -11.015 -1.970 83 HH12 ARG 9 HH12 ARG 9 1.962 -11.599 -1.100 84 HH21 ARG 9 HH21 ARG 9 1.621 -8.825 0.862 85 HH22 ARG 9 HH22 ARG 9 0.907 -10.344 0.352 86 H MET 10 H MET 10 6.493 -5.334 2.384 87 HA MET 10 HA MET 10 7.005 -2.504 2.914 88 HB2 MET 10 HB2 MET 10 5.829 -3.356 4.987 89 HB3 MET 10 HB3 MET 10 7.181 -4.486 5.216 90 HG2 MET 10 HG2 MET 10 8.726 -2.493 5.336 91 HG3 MET 10 HG3 MET 10 7.307 -1.446 5.165 92 HE1 MET 10 HE1 MET 10 9.498 -3.650 7.436 93 HE2 MET 10 HE2 MET 10 8.504 -3.913 8.886 94 HE3 MET 10 HE3 MET 10 8.083 -4.726 7.366 95 H PHE 11 H PHE 11 9.078 -1.964 2.718 96 HA PHE 11 HA PHE 11 11.111 -3.879 1.961 97 HB2 PHE 11 HB2 PHE 11 11.117 -0.893 2.379 98 HB3 PHE 11 HB3 PHE 11 12.582 -1.799 1.996 99 HD1 PHE 11 HD1 PHE 11 12.667 -3.229 -0.127 100 HD2 PHE 11 HD2 PHE 11 9.652 -0.229 0.598 101 HE1 PHE 11 HE1 PHE 11 12.183 -3.122 -2.562 102 HE2 PHE 11 HE2 PHE 11 9.183 -0.115 -1.837 103 HZ PHE 11 HZ PHE 11 10.444 -1.563 -3.419 104 H ALA 12 H ALA 12 13.252 -4.095 2.893 105 HA ALA 12 HA ALA 12 13.219 -4.861 5.624 106 HB1 ALA 12 HB1 ALA 12 15.571 -4.217 3.789 107 HB2 ALA 12 HB2 ALA 12 15.645 -5.164 5.290 108 HB3 ALA 12 HB3 ALA 12 14.730 -5.782 3.903 109 H ASN 13 H ASN 13 13.834 -1.705 4.242 110 HA ASN 13 HA ASN 13 15.024 -0.594 6.689 111 HB2 ASN 13 HB2 ASN 13 15.141 1.488 5.426 112 HB3 ASN 13 HB3 ASN 13 15.811 0.135 4.506 113 HD21 ASN 13 HD21 ASN 13 15.591 1.478 2.659 114 H GLY 14 H GLY 14 11.878 -1.440 6.032 115 HA2 GLY 14 HA2 GLY 14 10.060 -1.060 7.430 116 HA3 GLY 14 HA3 GLY 14 10.825 0.390 8.098 117 H THR 15 H THR 15 10.661 0.232 4.598 118 HA THR 15 HA THR 15 8.634 2.397 4.554 119 HB THR 15 HB THR 15 10.406 1.225 2.377 120 HG1 THR 15 HG1 THR 15 11.673 2.254 3.683 121 HG21 THR 15 HG21 THR 15 9.873 3.297 1.138 122 HG22 THR 15 HG22 THR 15 8.470 2.241 1.341 123 HG23 THR 15 HG23 THR 15 8.638 3.695 2.361 124 H VAL 16 H VAL 16 6.547 2.040 4.036 125 HA VAL 16 HA VAL 16 5.688 -0.695 3.314 126 HB VAL 16 HB VAL 16 4.220 1.767 4.325 127 HG11 VAL 16 HG11 VAL 16 2.617 0.480 3.001 128 HG12 VAL 16 HG12 VAL 16 3.099 -1.021 3.830 129 HG13 VAL 16 HG13 VAL 16 2.280 0.284 4.719 130 HG21 VAL 16 HG21 VAL 16 4.870 -0.894 5.668 131 HG22 VAL 16 HG22 VAL 16 5.673 0.655 6.006 132 HG23 VAL 16 HG23 VAL 16 3.962 0.449 6.393 133 H TYR 17 H TYR 17 4.469 -1.230 1.570 134 HA TYR 17 HA TYR 17 3.507 0.733 -0.380 135 HB2 TYR 17 HB2 TYR 17 4.764 -0.092 -2.252 136 HB3 TYR 17 HB3 TYR 17 5.893 0.436 -1.016 137 HD1 TYR 17 HD1 TYR 17 7.189 -1.274 0.323 138 HD2 TYR 17 HD2 TYR 17 4.771 -2.339 -3.094 139 HE1 TYR 17 HE1 TYR 17 8.496 -3.374 0.041 140 HE2 TYR 17 HE2 TYR 17 6.056 -4.454 -3.347 141 HH TYR 17 HH TYR 17 8.828 -5.237 -1.225 142 H TYR 18 H TYR 18 2.773 -0.832 -2.409 143 HA TYR 18 HA TYR 18 1.060 -2.959 -1.217 144 HB2 TYR 18 HB2 TYR 18 0.335 -0.786 -3.201 145 HB3 TYR 18 HB3 TYR 18 -0.698 -2.151 -2.758 146 HD1 TYR 18 HD1 TYR 18 0.744 1.049 -1.587 147 HD2 TYR 18 HD2 TYR 18 -1.761 -2.315 -0.572 148 HE1 TYR 18 HE1 TYR 18 -0.048 2.262 0.411 149 HE2 TYR 18 HE2 TYR 18 -2.635 -1.057 1.379 150 HH TYR 18 HH TYR 18 -1.421 2.194 2.251 151 H PHE 19 H PHE 19 0.579 -4.766 -2.348 152 HA PHE 19 HA PHE 19 1.756 -5.126 -5.044 153 HB2 PHE 19 HB2 PHE 19 3.442 -5.959 -3.658 154 HB3 PHE 19 HB3 PHE 19 2.273 -6.763 -2.603 155 HD1 PHE 19 HD1 PHE 19 4.117 -7.007 -5.774 156 HD2 PHE 19 HD2 PHE 19 1.248 -8.943 -3.187 157 HE1 PHE 19 HE1 PHE 19 4.451 -9.140 -6.992 158 HE2 PHE 19 HE2 PHE 19 1.646 -11.081 -4.363 159 HZ PHE 19 HZ PHE 19 3.226 -11.188 -6.281 160 H ASN 20 H ASN 20 0.650 -6.278 -6.521 161 HA ASN 20 HA ASN 20 -2.008 -7.317 -5.658 162 HB2 ASN 20 HB2 ASN 20 -1.897 -5.550 -7.427 163 HB3 ASN 20 HB3 ASN 20 -1.046 -6.708 -8.468 164 HD21 ASN 20 HD21 ASN 20 -5.027 -6.866 -8.338 165 HD22 ASN 20 HD22 ASN 20 -4.090 -5.494 -7.748 166 H HIS 21 H HIS 21 -2.090 -9.436 -5.251 167 HA HIS 21 HA HIS 21 0.091 -11.171 -6.135 168 HB2 HIS 21 HB2 HIS 21 -0.404 -12.455 -4.390 169 HB3 HIS 21 HB3 HIS 21 -1.278 -11.039 -3.823 170 HD2 HIS 21 HD2 HIS 21 -4.056 -11.099 -4.340 171 HE1 HIS 21 HE1 HIS 21 -4.274 -15.354 -4.476 172 HE2 HIS 21 HE2 HIS 21 -5.633 -13.212 -4.260 173 H ILE 22 H ILE 22 -2.904 -10.394 -7.564 174 HA ILE 22 HA ILE 22 -3.289 -12.937 -8.962 175 HB ILE 22 HB ILE 22 -4.440 -10.192 -9.590 176 HG12 ILE 22 HG12 ILE 22 -5.020 -10.676 -7.275 177 HG13 ILE 22 HG13 ILE 22 -6.433 -10.730 -8.330 178 HG21 ILE 22 HG21 ILE 22 -6.284 -11.507 -10.621 179 HG22 ILE 22 HG22 ILE 22 -4.724 -11.695 -11.426 180 HG23 ILE 22 HG23 ILE 22 -5.326 -12.985 -10.363 181 HD11 ILE 22 HD11 ILE 22 -6.427 -13.195 -8.263 182 HD12 ILE 22 HD12 ILE 22 -4.955 -13.178 -7.261 183 HD13 ILE 22 HD13 ILE 22 -6.474 -12.508 -6.631 184 H THR 23 H THR 23 -1.940 -9.717 -9.617 185 HA THR 23 HA THR 23 -1.090 -10.523 -12.343 186 HB THR 23 HB THR 23 -1.231 -8.280 -12.998 187 HG1 THR 23 HG1 THR 23 -1.930 -6.782 -11.235 188 HG21 THR 23 HG21 THR 23 -3.568 -8.546 -11.063 189 HG22 THR 23 HG22 THR 23 -3.491 -7.623 -12.575 190 HG23 THR 23 HG23 THR 23 -3.476 -9.394 -12.625 191 H ASN 24 H ASN 24 0.362 -10.005 -9.370 192 HA ASN 24 HA ASN 24 2.392 -9.698 -8.575 193 HB2 ASN 24 HB2 ASN 24 3.461 -10.379 -11.331 194 HB3 ASN 24 HB3 ASN 24 4.395 -10.328 -9.830 195 HD21 ASN 24 HD21 ASN 24 2.948 -12.464 -11.886 196 HD22 ASN 24 HD22 ASN 24 2.657 -13.760 -10.721 197 H ALA 25 H ALA 25 0.927 -7.409 -10.112 198 HA ALA 25 HA ALA 25 3.016 -5.454 -10.600 199 HB1 ALA 25 HB1 ALA 25 0.050 -5.092 -9.993 200 HB2 ALA 25 HB2 ALA 25 1.141 -3.869 -10.675 201 HB3 ALA 25 HB3 ALA 25 0.757 -5.327 -11.610 202 H SER 26 H SER 26 3.355 -3.485 -9.313 203 HA SER 26 HA SER 26 2.500 -3.465 -6.521 204 HB2 SER 26 HB2 SER 26 4.796 -3.225 -5.599 205 HB3 SER 26 HB3 SER 26 4.451 -4.831 -6.241 206 HG SER 26 HG SER 26 5.901 -2.771 -7.579 207 H GLN 27 H GLN 27 2.731 -1.492 -5.444 208 HA GLN 27 HA GLN 27 3.855 0.844 -6.809 209 HB2 GLN 27 HB2 GLN 27 1.795 2.050 -7.079 210 HB3 GLN 27 HB3 GLN 27 1.661 0.514 -7.938 211 HG2 GLN 27 HG2 GLN 27 0.298 -0.409 -6.072 212 HG3 GLN 27 HG3 GLN 27 0.445 1.117 -5.213 213 HE21 GLN 27 HE21 GLN 27 -1.481 2.182 -5.327 214 HE22 GLN 27 HE22 GLN 27 -2.460 2.323 -6.802 215 H PHE 28 H PHE 28 3.942 2.735 -5.464 216 HA PHE 28 HA PHE 28 3.891 2.162 -2.600 217 HB2 PHE 28 HB2 PHE 28 5.805 3.244 -3.182 218 HB3 PHE 28 HB3 PHE 28 4.978 4.381 -4.253 219 HD1 PHE 28 HD1 PHE 28 5.788 3.633 -0.712 220 HD2 PHE 28 HD2 PHE 28 3.931 6.413 -3.441 221 HE1 PHE 28 HE1 PHE 28 5.702 5.344 1.085 222 HE2 PHE 28 HE2 PHE 28 3.834 8.117 -1.639 223 HZ PHE 28 HZ PHE 28 4.725 7.588 0.627 224 H GLU 29 H GLU 29 1.935 4.251 -4.664 225 HA GLU 29 HA GLU 29 0.484 5.429 -2.470 226 HB2 GLU 29 HB2 GLU 29 0.671 6.660 -4.482 227 HB3 GLU 29 HB3 GLU 29 0.114 5.313 -5.461 228 HG2 GLU 29 HG2 GLU 29 -1.541 7.027 -5.429 229 HG3 GLU 29 HG3 GLU 29 -2.168 5.576 -4.671 230 H ARG 30 H ARG 30 -1.588 5.057 -1.709 231 HA ARG 30 HA ARG 30 -2.248 2.328 -1.369 232 HB2 ARG 30 HB2 ARG 30 -2.567 3.793 0.360 233 HB3 ARG 30 HB3 ARG 30 -3.640 4.857 -0.548 234 HG2 ARG 30 HG2 ARG 30 -4.421 1.961 -0.080 235 HG3 ARG 30 HG3 ARG 30 -4.575 3.133 1.240 236 HD2 ARG 30 HD2 ARG 30 -6.383 4.144 0.365 237 HD3 ARG 30 HD3 ARG 30 -5.709 4.193 -1.251 238 HE ARG 30 HE ARG 30 -6.538 2.034 -1.755 239 HH11 ARG 30 HH11 ARG 30 -7.801 3.069 1.366 240 HH12 ARG 30 HH12 ARG 30 -9.229 2.083 1.158 241 HH21 ARG 30 HH21 ARG 30 -8.314 0.935 -1.939 242 HH22 ARG 30 HH22 ARG 30 -9.413 0.726 -0.572 243 HA PRO 31 HA PRO 31 -4.226 1.591 -5.218 244 HB2 PRO 31 HB2 PRO 31 -5.441 -0.826 -3.894 245 HB3 PRO 31 HB3 PRO 31 -4.527 -0.709 -5.429 246 HG2 PRO 31 HG2 PRO 31 -3.383 -1.634 -3.124 247 HG3 PRO 31 HG3 PRO 31 -2.463 -0.577 -4.258 248 HD2 PRO 31 HD2 PRO 31 -3.853 0.132 -1.670 249 HD3 PRO 31 HD3 PRO 31 -2.275 0.652 -2.342 250 H SER 32 H SER 32 -5.999 2.366 -6.221 251 HA SER 32 HA SER 32 -8.577 2.663 -4.815 252 HB2 SER 32 HB2 SER 32 -9.238 3.881 -6.854 253 HB3 SER 32 HB3 SER 32 -7.765 4.531 -6.115 254 HG SER 32 HG SER 32 -7.579 4.301 -8.392 255 H GLY 33 H GLY 33 -7.150 0.553 -7.228 256 HA2 GLY 33 HA2 GLY 33 -8.859 -1.607 -7.085 257 HA3 GLY 33 HA3 GLY 33 -9.646 -0.558 -8.264 258 H1B XYP 101 H1 XYP 34 12.892 2.285 1.822 259 H2B XYP 101 H2 XYP 34 15.628 2.688 0.484 260 H3B XYP 101 H3 XYP 34 12.917 3.930 -0.200 261 H4B XYP 101 H4 XYP 34 14.548 1.880 -1.781 262 H5B1 XYP 101 H5E XYP 34 12.767 0.270 -1.254 263 H5B2 XYP 101 H5A XYP 34 11.887 1.492 -0.313 264 HO2B XYP 101 H2O XYP 34 15.140 4.909 1.113 265 HO3B XYP 101 H3O XYP 34 14.189 4.610 -2.078 266 HO4B XYP 101 H4O XYP 34 12.691 1.971 -3.145 Start of MODEL 12 1 H1 LYS 1 H1 LYS 1 -12.591 -2.279 3.843 2 H2 LYS 1 H2 LYS 1 -11.790 -3.358 2.912 3 H3 LYS 1 H3 LYS 1 -12.694 -2.182 2.216 4 HA LYS 1 HA LYS 1 -11.270 -0.461 3.048 5 HB2 LYS 1 HB2 LYS 1 -10.541 -1.551 5.104 6 HB3 LYS 1 HB3 LYS 1 -9.632 -2.755 4.190 7 HG2 LYS 1 HG2 LYS 1 -8.175 -0.894 3.278 8 HG3 LYS 1 HG3 LYS 1 -9.070 0.242 4.304 9 HD2 LYS 1 HD2 LYS 1 -8.295 -0.977 6.322 10 HD3 LYS 1 HD3 LYS 1 -7.530 -2.201 5.301 11 HE2 LYS 1 HE2 LYS 1 -5.795 -0.748 6.055 12 HE3 LYS 1 HE3 LYS 1 -6.035 -0.452 4.329 13 HZ1 LYS 1 HZ1 LYS 1 -5.838 1.622 5.591 14 HZ2 LYS 1 HZ2 LYS 1 -7.330 1.536 4.935 15 HZ3 LYS 1 HZ3 LYS 1 -7.116 1.238 6.529 16 H LEU 2 H LEU 2 -9.344 -3.350 2.078 17 HA LEU 2 HA LEU 2 -8.172 -1.754 -0.067 18 HB2 LEU 2 HB2 LEU 2 -6.986 -3.114 1.787 19 HB3 LEU 2 HB3 LEU 2 -7.451 -4.547 0.857 20 HG LEU 2 HG LEU 2 -6.170 -3.530 -1.110 21 HD11 LEU 2 HD11 LEU 2 -6.071 -1.161 -0.328 22 HD12 LEU 2 HD12 LEU 2 -5.143 -1.674 1.098 23 HD13 LEU 2 HD13 LEU 2 -4.456 -1.838 -0.534 24 HD21 LEU 2 HD21 LEU 2 -4.640 -4.073 1.470 25 HD22 LEU 2 HD22 LEU 2 -5.253 -5.301 0.347 26 HD23 LEU 2 HD23 LEU 2 -3.978 -4.183 -0.181 27 HA PRO 3 HA PRO 3 -10.686 -3.728 -3.158 28 HB2 PRO 3 HB2 PRO 3 -9.272 -3.179 -5.482 29 HB3 PRO 3 HB3 PRO 3 -10.265 -1.994 -4.577 30 HG2 PRO 3 HG2 PRO 3 -7.272 -2.431 -4.402 31 HG3 PRO 3 HG3 PRO 3 -8.161 -0.892 -4.557 32 HD2 PRO 3 HD2 PRO 3 -7.272 -1.777 -2.172 33 HD3 PRO 3 HD3 PRO 3 -8.868 -0.978 -2.329 34 HA PRO 4 HA PRO 4 -9.533 -7.840 -3.906 35 HB2 PRO 4 HB2 PRO 4 -10.290 -7.521 -6.816 36 HB3 PRO 4 HB3 PRO 4 -10.747 -8.820 -5.665 37 HG2 PRO 4 HG2 PRO 4 -12.495 -6.832 -6.200 38 HG3 PRO 4 HG3 PRO 4 -12.243 -7.352 -4.499 39 HD2 PRO 4 HD2 PRO 4 -11.044 -4.967 -5.935 40 HD3 PRO 4 HD3 PRO 4 -11.789 -5.062 -4.308 41 H GLY 5 H GLY 5 -7.821 -9.100 -4.344 42 HA2 GLY 5 HA2 GLY 5 -5.906 -9.941 -5.313 43 HA3 GLY 5 HA3 GLY 5 -5.978 -8.689 -6.568 44 H TRP 6 H TRP 6 -6.038 -6.589 -4.232 45 HA TRP 6 HA TRP 6 -3.134 -6.322 -4.009 46 HB2 TRP 6 HB2 TRP 6 -5.389 -4.602 -2.982 47 HB3 TRP 6 HB3 TRP 6 -3.685 -4.237 -2.766 48 HD1 TRP 6 HD1 TRP 6 -6.428 -4.196 -5.330 49 HE1 TRP 6 HE1 TRP 6 -5.690 -2.919 -7.438 50 HE3 TRP 6 HE3 TRP 6 -1.441 -3.830 -4.297 51 HZ2 TRP 6 HZ2 TRP 6 -3.176 -2.129 -8.649 52 HZ3 TRP 6 HZ3 TRP 6 0.128 -2.851 -5.983 53 HH2 TRP 6 HH2 TRP 6 -0.729 -2.023 -8.154 54 H GLU 7 H GLU 7 -1.885 -6.243 -2.196 55 HA GLU 7 HA GLU 7 -3.022 -6.657 0.492 56 HB2 GLU 7 HB2 GLU 7 -2.440 -8.922 -0.481 57 HB3 GLU 7 HB3 GLU 7 -0.759 -8.383 -0.606 58 HG2 GLU 7 HG2 GLU 7 -0.678 -8.060 1.846 59 HG3 GLU 7 HG3 GLU 7 -2.382 -8.496 1.974 60 H LYS 8 H LYS 8 -1.699 -5.691 2.122 61 HA LYS 8 HA LYS 8 0.212 -3.684 1.229 62 HB2 LYS 8 HB2 LYS 8 -0.731 -4.576 3.962 63 HB3 LYS 8 HB3 LYS 8 0.646 -3.473 3.765 64 HG2 LYS 8 HG2 LYS 8 -0.680 -1.931 2.434 65 HG3 LYS 8 HG3 LYS 8 -2.076 -3.024 2.494 66 HD2 LYS 8 HD2 LYS 8 -2.530 -1.312 4.054 67 HD3 LYS 8 HD3 LYS 8 -2.047 -2.707 5.039 68 HE2 LYS 8 HE2 LYS 8 0.275 -1.758 5.177 69 HE3 LYS 8 HE3 LYS 8 -0.248 -0.382 4.193 70 HZ1 LYS 8 HZ1 LYS 8 -0.294 0.144 6.567 71 HZ2 LYS 8 HZ2 LYS 8 -1.808 0.207 5.964 72 HZ3 LYS 8 HZ3 LYS 8 -1.340 -1.071 6.872 73 H ARG 9 H ARG 9 2.340 -3.532 1.516 74 HA ARG 9 HA ARG 9 3.972 -5.966 2.065 75 HB2 ARG 9 HB2 ARG 9 3.093 -5.705 -0.402 76 HB3 ARG 9 HB3 ARG 9 4.211 -4.358 -0.513 77 HG2 ARG 9 HG2 ARG 9 5.216 -6.299 -1.491 78 HG3 ARG 9 HG3 ARG 9 6.092 -5.965 0.019 79 HD2 ARG 9 HD2 ARG 9 4.764 -7.752 1.147 80 HD3 ARG 9 HD3 ARG 9 3.910 -8.073 -0.373 81 HE ARG 9 HE ARG 9 6.680 -8.793 0.359 82 HH11 ARG 9 HH11 ARG 9 4.407 -8.664 -2.317 83 HH12 ARG 9 HH12 ARG 9 5.330 -9.796 -3.258 84 HH21 ARG 9 HH21 ARG 9 7.802 -10.206 -0.909 85 HH22 ARG 9 HH22 ARG 9 7.196 -10.638 -2.484 86 H MET 10 H MET 10 6.361 -5.434 2.092 87 HA MET 10 HA MET 10 6.971 -2.621 2.781 88 HB2 MET 10 HB2 MET 10 7.244 -4.865 4.834 89 HB3 MET 10 HB3 MET 10 7.747 -3.179 5.016 90 HG2 MET 10 HG2 MET 10 5.833 -3.191 6.230 91 HG3 MET 10 HG3 MET 10 5.239 -2.607 4.671 92 HE1 MET 10 HE1 MET 10 3.176 -3.426 6.750 93 HE2 MET 10 HE2 MET 10 2.743 -3.081 5.059 94 HE3 MET 10 HE3 MET 10 2.110 -4.537 5.858 95 H PHE 11 H PHE 11 9.022 -2.075 2.682 96 HA PHE 11 HA PHE 11 11.076 -3.900 1.706 97 HB2 PHE 11 HB2 PHE 11 11.022 -0.953 2.333 98 HB3 PHE 11 HB3 PHE 11 12.506 -1.798 1.888 99 HD1 PHE 11 HD1 PHE 11 9.417 -0.331 0.634 100 HD2 PHE 11 HD2 PHE 11 12.741 -2.895 -0.358 101 HE1 PHE 11 HE1 PHE 11 8.932 -0.026 -1.783 102 HE2 PHE 11 HE2 PHE 11 12.249 -2.593 -2.774 103 HZ PHE 11 HZ PHE 11 10.346 -1.157 -3.490 104 H ALA 12 H ALA 12 13.179 -4.214 2.649 105 HA ALA 12 HA ALA 12 13.151 -5.022 5.379 106 HB1 ALA 12 HB1 ALA 12 15.564 -5.391 5.008 107 HB2 ALA 12 HB2 ALA 12 14.612 -5.976 3.630 108 HB3 ALA 12 HB3 ALA 12 15.495 -4.434 3.513 109 H ASN 13 H ASN 13 13.785 -1.877 4.009 110 HA ASN 13 HA ASN 13 15.124 -0.784 6.372 111 HB2 ASN 13 HB2 ASN 13 15.139 1.297 5.122 112 HB3 ASN 13 HB3 ASN 13 15.674 -0.037 4.091 113 HD21 ASN 13 HD21 ASN 13 15.217 1.561 2.387 114 H GLY 14 H GLY 14 11.900 -1.593 5.879 115 HA2 GLY 14 HA2 GLY 14 10.165 -1.241 7.402 116 HA3 GLY 14 HA3 GLY 14 10.983 0.184 8.063 117 H THR 15 H THR 15 10.640 0.117 4.577 118 HA THR 15 HA THR 15 8.617 2.290 4.666 119 HB THR 15 HB THR 15 10.297 1.133 2.417 120 HG1 THR 15 HG1 THR 15 11.520 2.159 3.842 121 HG21 THR 15 HG21 THR 15 8.314 2.166 1.454 122 HG22 THR 15 HG22 THR 15 8.606 3.649 2.405 123 HG23 THR 15 HG23 THR 15 9.755 3.128 1.140 124 H VAL 16 H VAL 16 6.519 2.016 4.080 125 HA VAL 16 HA VAL 16 5.571 -0.673 3.331 126 HB VAL 16 HB VAL 16 4.059 1.808 4.220 127 HG11 VAL 16 HG11 VAL 16 2.228 0.196 4.736 128 HG12 VAL 16 HG12 VAL 16 2.561 0.335 3.010 129 HG13 VAL 16 HG13 VAL 16 3.159 -1.079 3.911 130 HG21 VAL 16 HG21 VAL 16 3.820 0.651 6.393 131 HG22 VAL 16 HG22 VAL 16 4.884 -0.648 5.823 132 HG23 VAL 16 HG23 VAL 16 5.513 0.999 6.037 133 H TYR 17 H TYR 17 4.372 -1.158 1.558 134 HA TYR 17 HA TYR 17 3.415 0.853 -0.341 135 HB2 TYR 17 HB2 TYR 17 4.636 0.042 -2.238 136 HB3 TYR 17 HB3 TYR 17 5.796 0.512 -1.009 137 HD1 TYR 17 HD1 TYR 17 7.018 -1.298 0.310 138 HD2 TYR 17 HD2 TYR 17 4.616 -2.146 -3.175 139 HE1 TYR 17 HE1 TYR 17 8.295 -3.399 -0.070 140 HE2 TYR 17 HE2 TYR 17 5.856 -4.278 -3.509 141 HH TYR 17 HH TYR 17 8.623 -5.188 -1.438 142 H TYR 18 H TYR 18 2.667 -0.747 -2.390 143 HA TYR 18 HA TYR 18 0.941 -2.847 -1.175 144 HB2 TYR 18 HB2 TYR 18 0.215 -0.714 -3.201 145 HB3 TYR 18 HB3 TYR 18 -0.807 -2.089 -2.758 146 HD1 TYR 18 HD1 TYR 18 0.702 1.067 -1.525 147 HD2 TYR 18 HD2 TYR 18 -1.984 -2.193 -0.645 148 HE1 TYR 18 HE1 TYR 18 -0.076 2.271 0.493 149 HE2 TYR 18 HE2 TYR 18 -2.845 -0.940 1.319 150 HH TYR 18 HH TYR 18 -1.487 2.222 2.303 151 H PHE 19 H PHE 19 0.558 -4.700 -2.217 152 HA PHE 19 HA PHE 19 1.813 -5.134 -4.870 153 HB2 PHE 19 HB2 PHE 19 3.433 -5.919 -3.398 154 HB3 PHE 19 HB3 PHE 19 2.230 -6.694 -2.358 155 HD1 PHE 19 HD1 PHE 19 4.021 -6.959 -5.582 156 HD2 PHE 19 HD2 PHE 19 1.391 -8.955 -2.794 157 HE1 PHE 19 HE1 PHE 19 4.419 -9.112 -6.743 158 HE2 PHE 19 HE2 PHE 19 1.865 -11.109 -3.903 159 HZ PHE 19 HZ PHE 19 3.353 -11.202 -5.894 160 H ASN 20 H ASN 20 0.740 -6.212 -6.376 161 HA ASN 20 HA ASN 20 -1.942 -7.280 -5.664 162 HB2 ASN 20 HB2 ASN 20 -1.696 -5.589 -7.480 163 HB3 ASN 20 HB3 ASN 20 -0.721 -6.757 -8.396 164 HD21 ASN 20 HD21 ASN 20 -3.562 -5.476 -8.686 165 HD22 ASN 20 HD22 ASN 20 -4.543 -6.891 -9.075 166 H HIS 21 H HIS 21 -1.923 -9.376 -5.068 167 HA HIS 21 HA HIS 21 0.323 -11.107 -5.711 168 HB2 HIS 21 HB2 HIS 21 -0.405 -12.401 -4.032 169 HB3 HIS 21 HB3 HIS 21 -1.327 -10.971 -3.589 170 HD2 HIS 21 HD2 HIS 21 -4.005 -11.004 -4.161 171 HE1 HIS 21 HE1 HIS 21 -4.334 -15.160 -4.983 172 HE2 HIS 21 HE2 HIS 21 -5.638 -13.040 -4.493 173 H ILE 22 H ILE 22 -2.704 -10.525 -7.287 174 HA ILE 22 HA ILE 22 -2.860 -13.102 -8.624 175 HB ILE 22 HB ILE 22 -4.372 -10.493 -9.085 176 HG12 ILE 22 HG12 ILE 22 -4.957 -13.002 -7.438 177 HG13 ILE 22 HG13 ILE 22 -4.728 -11.348 -6.838 178 HG21 ILE 22 HG21 ILE 22 -4.442 -11.940 -11.087 179 HG22 ILE 22 HG22 ILE 22 -4.975 -13.310 -10.085 180 HG23 ILE 22 HG23 ILE 22 -6.008 -11.876 -10.307 181 HD11 ILE 22 HD11 ILE 22 -7.028 -11.886 -6.678 182 HD12 ILE 22 HD12 ILE 22 -6.850 -10.680 -7.975 183 HD13 ILE 22 HD13 ILE 22 -7.121 -12.401 -8.366 184 H THR 23 H THR 23 -1.824 -9.814 -9.439 185 HA THR 23 HA THR 23 -0.953 -10.641 -12.156 186 HB THR 23 HB THR 23 -1.211 -8.421 -12.858 187 HG1 THR 23 HG1 THR 23 -2.056 -7.042 -10.932 188 HG21 THR 23 HG21 THR 23 -3.507 -8.801 -10.885 189 HG22 THR 23 HG22 THR 23 -3.495 -7.835 -12.375 190 HG23 THR 23 HG23 THR 23 -3.397 -9.603 -12.468 191 H ASN 24 H ASN 24 0.510 -10.051 -9.219 192 HA ASN 24 HA ASN 24 2.538 -9.638 -8.456 193 HB2 ASN 24 HB2 ASN 24 3.539 -10.379 -11.224 194 HB3 ASN 24 HB3 ASN 24 4.552 -10.168 -9.791 195 HD21 ASN 24 HD21 ASN 24 4.561 -11.765 -8.158 196 HD22 ASN 24 HD22 ASN 24 3.780 -13.327 -8.423 197 H ALA 25 H ALA 25 0.984 -7.422 -10.081 198 HA ALA 25 HA ALA 25 3.009 -5.408 -10.558 199 HB1 ALA 25 HB1 ALA 25 0.033 -5.116 -9.960 200 HB2 ALA 25 HB2 ALA 25 1.096 -3.878 -10.656 201 HB3 ALA 25 HB3 ALA 25 0.748 -5.356 -11.572 202 H SER 26 H SER 26 3.276 -3.410 -9.278 203 HA SER 26 HA SER 26 2.424 -3.401 -6.499 204 HB2 SER 26 HB2 SER 26 4.664 -3.179 -5.512 205 HB3 SER 26 HB3 SER 26 4.391 -4.776 -6.211 206 HG SER 26 HG SER 26 5.618 -4.180 -7.994 207 H GLN 27 H GLN 27 2.651 -1.427 -5.422 208 HA GLN 27 HA GLN 27 3.763 0.911 -6.792 209 HB2 GLN 27 HB2 GLN 27 1.698 2.110 -7.065 210 HB3 GLN 27 HB3 GLN 27 1.570 0.573 -7.923 211 HG2 GLN 27 HG2 GLN 27 0.212 -0.351 -6.049 212 HG3 GLN 27 HG3 GLN 27 0.340 1.187 -5.206 213 HE21 GLN 27 HE21 GLN 27 -1.581 2.264 -5.358 214 HE22 GLN 27 HE22 GLN 27 -2.561 2.356 -6.836 215 H PHE 28 H PHE 28 3.894 2.779 -5.439 216 HA PHE 28 HA PHE 28 3.819 2.204 -2.578 217 HB2 PHE 28 HB2 PHE 28 5.744 3.275 -3.154 218 HB3 PHE 28 HB3 PHE 28 4.927 4.424 -4.220 219 HD1 PHE 28 HD1 PHE 28 5.735 3.655 -0.685 220 HD2 PHE 28 HD2 PHE 28 3.878 6.453 -3.396 221 HE1 PHE 28 HE1 PHE 28 5.652 5.356 1.123 222 HE2 PHE 28 HE2 PHE 28 3.782 8.146 -1.584 223 HZ PHE 28 HZ PHE 28 4.674 7.603 0.679 224 H GLU 29 H GLU 29 1.888 4.313 -4.637 225 HA GLU 29 HA GLU 29 0.453 5.519 -2.434 226 HB2 GLU 29 HB2 GLU 29 0.762 6.641 -4.554 227 HB3 GLU 29 HB3 GLU 29 -0.144 5.378 -5.411 228 HG2 GLU 29 HG2 GLU 29 -2.197 5.984 -4.221 229 HG3 GLU 29 HG3 GLU 29 -1.313 7.145 -3.224 230 H ARG 30 H ARG 30 -1.527 5.054 -1.547 231 HA ARG 30 HA ARG 30 -2.283 2.347 -1.373 232 HB2 ARG 30 HB2 ARG 30 -2.528 3.855 0.429 233 HB3 ARG 30 HB3 ARG 30 -3.641 4.895 -0.450 234 HG2 ARG 30 HG2 ARG 30 -4.347 1.992 0.089 235 HG3 ARG 30 HG3 ARG 30 -4.513 3.205 1.366 236 HD2 ARG 30 HD2 ARG 30 -6.374 4.105 0.499 237 HD3 ARG 30 HD3 ARG 30 -5.715 4.173 -1.120 238 HE ARG 30 HE ARG 30 -6.503 2.005 -1.624 239 HH11 ARG 30 HH11 ARG 30 -8.962 1.797 1.488 240 HH12 ARG 30 HH12 ARG 30 -7.590 2.874 1.621 241 HH21 ARG 30 HH21 ARG 30 -8.209 0.795 -1.699 242 HH22 ARG 30 HH22 ARG 30 -9.250 0.553 -0.289 243 HA PRO 31 HA PRO 31 -4.480 2.006 -5.168 244 HB2 PRO 31 HB2 PRO 31 -5.373 -0.586 -5.043 245 HB3 PRO 31 HB3 PRO 31 -3.655 -0.118 -5.229 246 HG2 PRO 31 HG2 PRO 31 -5.086 -0.848 -2.654 247 HG3 PRO 31 HG3 PRO 31 -3.531 -1.487 -3.282 248 HD2 PRO 31 HD2 PRO 31 -3.612 0.523 -1.479 249 HD3 PRO 31 HD3 PRO 31 -2.413 0.532 -2.812 250 H SER 32 H SER 32 -6.375 2.734 -5.883 251 HA SER 32 HA SER 32 -8.859 2.512 -4.301 252 HB2 SER 32 HB2 SER 32 -9.781 3.974 -6.056 253 HB3 SER 32 HB3 SER 32 -8.323 4.647 -5.308 254 HG SER 32 HG SER 32 -8.290 4.814 -7.596 255 H GLY 33 H GLY 33 -7.363 0.884 -7.001 256 HA2 GLY 33 HA2 GLY 33 -9.126 -1.318 -7.096 257 HA3 GLY 33 HA3 GLY 33 -9.676 -0.181 -8.327 258 H1B XYP 101 H1 XYP 34 12.308 1.776 1.735 259 H2B XYP 101 H2 XYP 34 14.623 3.621 0.951 260 H3B XYP 101 H3 XYP 34 11.666 3.902 0.247 261 H4B XYP 101 H4 XYP 34 13.951 3.080 -1.611 262 H5B1 XYP 101 H5E XYP 34 12.829 0.860 -1.707 263 H5B2 XYP 101 H5A XYP 34 11.636 1.402 -0.514 264 HO2B XYP 101 H2O XYP 34 12.342 3.868 2.671 265 HO3B XYP 101 H3O XYP 34 13.017 5.833 0.373 266 HO4B XYP 101 H4O XYP 34 12.120 4.333 -2.419 Start of MODEL 13 1 H1 LYS 1 H1 LYS 1 -12.421 -2.236 2.065 2 H2 LYS 1 H2 LYS 1 -12.550 -2.471 3.675 3 H3 LYS 1 H3 LYS 1 -11.611 -3.468 2.783 4 HA LYS 1 HA LYS 1 -11.153 -0.595 3.235 5 HB2 LYS 1 HB2 LYS 1 -10.775 -1.937 5.241 6 HB3 LYS 1 HB3 LYS 1 -9.612 -2.951 4.407 7 HG2 LYS 1 HG2 LYS 1 -9.224 0.064 4.642 8 HG3 LYS 1 HG3 LYS 1 -8.835 -1.030 5.963 9 HD2 LYS 1 HD2 LYS 1 -7.250 -2.273 4.442 10 HD3 LYS 1 HD3 LYS 1 -7.551 -1.053 3.199 11 HE2 LYS 1 HE2 LYS 1 -5.509 -0.494 4.283 12 HE3 LYS 1 HE3 LYS 1 -6.722 0.722 4.706 13 HZ1 LYS 1 HZ1 LYS 1 -5.902 -1.541 6.456 14 HZ2 LYS 1 HZ2 LYS 1 -5.438 0.014 6.646 15 HZ3 LYS 1 HZ3 LYS 1 -7.000 -0.396 6.853 16 H LEU 2 H LEU 2 -9.117 -3.417 2.238 17 HA LEU 2 HA LEU 2 -7.879 -1.741 0.179 18 HB2 LEU 2 HB2 LEU 2 -6.651 -3.141 1.889 19 HB3 LEU 2 HB3 LEU 2 -7.258 -4.580 1.050 20 HG LEU 2 HG LEU 2 -6.012 -3.788 -1.001 21 HD11 LEU 2 HD11 LEU 2 -5.816 -1.357 -0.457 22 HD12 LEU 2 HD12 LEU 2 -4.863 -1.760 0.983 23 HD13 LEU 2 HD13 LEU 2 -4.227 -2.090 -0.647 24 HD21 LEU 2 HD21 LEU 2 -4.384 -4.132 1.546 25 HD22 LEU 2 HD22 LEU 2 -5.067 -5.437 0.559 26 HD23 LEU 2 HD23 LEU 2 -3.795 -4.395 -0.117 27 HA PRO 3 HA PRO 3 -10.428 -3.488 -2.992 28 HB2 PRO 3 HB2 PRO 3 -8.254 -3.242 -5.008 29 HB3 PRO 3 HB3 PRO 3 -9.858 -2.453 -4.964 30 HG2 PRO 3 HG2 PRO 3 -7.543 -1.093 -4.424 31 HG3 PRO 3 HG3 PRO 3 -9.085 -0.733 -3.574 32 HD2 PRO 3 HD2 PRO 3 -6.754 -2.407 -2.603 33 HD3 PRO 3 HD3 PRO 3 -7.704 -1.154 -1.758 34 HA PRO 4 HA PRO 4 -9.613 -7.807 -3.736 35 HB2 PRO 4 HB2 PRO 4 -10.434 -7.346 -6.607 36 HB3 PRO 4 HB3 PRO 4 -10.959 -8.633 -5.473 37 HG2 PRO 4 HG2 PRO 4 -12.569 -6.509 -5.942 38 HG3 PRO 4 HG3 PRO 4 -12.339 -7.093 -4.259 39 HD2 PRO 4 HD2 PRO 4 -10.977 -4.763 -5.643 40 HD3 PRO 4 HD3 PRO 4 -11.717 -4.841 -4.012 41 H GLY 5 H GLY 5 -7.929 -9.102 -4.319 42 HA2 GLY 5 HA2 GLY 5 -6.032 -9.887 -5.350 43 HA3 GLY 5 HA3 GLY 5 -6.167 -8.608 -6.572 44 H TRP 6 H TRP 6 -6.110 -6.550 -4.200 45 HA TRP 6 HA TRP 6 -3.189 -6.322 -4.086 46 HB2 TRP 6 HB2 TRP 6 -5.393 -4.541 -3.064 47 HB3 TRP 6 HB3 TRP 6 -3.683 -4.220 -2.822 48 HD1 TRP 6 HD1 TRP 6 -6.364 -4.216 -5.478 49 HE1 TRP 6 HE1 TRP 6 -5.584 -2.937 -7.561 50 HE3 TRP 6 HE3 TRP 6 -1.416 -3.771 -4.294 51 HZ2 TRP 6 HZ2 TRP 6 -3.055 -2.101 -8.694 52 HZ3 TRP 6 HZ3 TRP 6 0.187 -2.750 -5.938 53 HH2 TRP 6 HH2 TRP 6 -0.627 -1.950 -8.131 54 H GLU 7 H GLU 7 -1.891 -6.258 -2.303 55 HA GLU 7 HA GLU 7 -2.921 -6.907 0.385 56 HB2 GLU 7 HB2 GLU 7 -2.491 -9.089 -0.563 57 HB3 GLU 7 HB3 GLU 7 -0.985 -8.548 -1.275 58 HG2 GLU 7 HG2 GLU 7 -0.546 -10.034 0.547 59 HG3 GLU 7 HG3 GLU 7 0.118 -8.445 0.868 60 H LYS 8 H LYS 8 -1.627 -6.112 2.063 61 HA LYS 8 HA LYS 8 0.203 -3.953 1.354 62 HB2 LYS 8 HB2 LYS 8 -0.850 -5.015 3.977 63 HB3 LYS 8 HB3 LYS 8 0.530 -3.901 3.935 64 HG2 LYS 8 HG2 LYS 8 -0.752 -2.309 2.563 65 HG3 LYS 8 HG3 LYS 8 -2.156 -3.394 2.606 66 HD2 LYS 8 HD2 LYS 8 -2.557 -1.669 4.188 67 HD3 LYS 8 HD3 LYS 8 -2.153 -3.114 5.138 68 HE2 LYS 8 HE2 LYS 8 0.203 -2.284 5.352 69 HE3 LYS 8 HE3 LYS 8 -0.220 -0.858 4.396 70 HZ1 LYS 8 HZ1 LYS 8 -1.778 -0.221 6.149 71 HZ2 LYS 8 HZ2 LYS 8 -1.410 -1.552 7.029 72 HZ3 LYS 8 HZ3 LYS 8 -0.284 -0.398 6.781 73 H ARG 9 H ARG 9 2.283 -3.677 1.717 74 HA ARG 9 HA ARG 9 4.077 -5.974 2.408 75 HB2 ARG 9 HB2 ARG 9 4.148 -4.169 -0.041 76 HB3 ARG 9 HB3 ARG 9 5.544 -5.093 0.494 77 HG2 ARG 9 HG2 ARG 9 2.925 -6.350 -0.298 78 HG3 ARG 9 HG3 ARG 9 4.309 -6.106 -1.376 79 HD2 ARG 9 HD2 ARG 9 5.712 -7.435 0.307 80 HD3 ARG 9 HD3 ARG 9 4.179 -7.884 1.080 81 HE ARG 9 HE ARG 9 3.686 -9.303 -0.696 82 HH11 ARG 9 HH11 ARG 9 4.153 -10.535 -2.471 83 HH12 ARG 9 HH12 ARG 9 5.528 -10.154 -3.463 84 HH21 ARG 9 HH21 ARG 9 6.514 -7.414 -1.668 85 HH22 ARG 9 HH22 ARG 9 6.827 -8.472 -3.013 86 H MET 10 H MET 10 6.317 -5.305 2.614 87 HA MET 10 HA MET 10 6.916 -2.521 3.202 88 HB2 MET 10 HB2 MET 10 5.845 -3.278 5.331 89 HB3 MET 10 HB3 MET 10 7.109 -4.514 5.493 90 HG2 MET 10 HG2 MET 10 8.810 -2.650 5.487 91 HG3 MET 10 HG3 MET 10 7.474 -1.488 5.509 92 HE1 MET 10 HE1 MET 10 5.362 -2.600 7.525 93 HE2 MET 10 HE2 MET 10 5.959 -1.995 9.083 94 HE3 MET 10 HE3 MET 10 6.014 -0.949 7.651 95 H PHE 11 H PHE 11 8.965 -2.045 2.815 96 HA PHE 11 HA PHE 11 10.919 -4.001 1.970 97 HB2 PHE 11 HB2 PHE 11 10.965 -1.002 2.287 98 HB3 PHE 11 HB3 PHE 11 12.401 -1.922 1.842 99 HD1 PHE 11 HD1 PHE 11 12.309 -3.467 -0.223 100 HD2 PHE 11 HD2 PHE 11 9.455 -0.329 0.561 101 HE1 PHE 11 HE1 PHE 11 11.696 -3.417 -2.631 102 HE2 PHE 11 HE2 PHE 11 8.863 -0.265 -1.850 103 HZ PHE 11 HZ PHE 11 9.977 -1.813 -3.447 104 H ALA 12 H ALA 12 13.130 -4.189 2.739 105 HA ALA 12 HA ALA 12 13.341 -4.812 5.500 106 HB1 ALA 12 HB1 ALA 12 15.518 -4.243 3.437 107 HB2 ALA 12 HB2 ALA 12 15.735 -5.106 4.974 108 HB3 ALA 12 HB3 ALA 12 14.714 -5.809 3.707 109 H ASN 13 H ASN 13 13.791 -1.725 3.903 110 HA ASN 13 HA ASN 13 15.173 -0.486 6.183 111 HB2 ASN 13 HB2 ASN 13 15.233 1.506 4.813 112 HB3 ASN 13 HB3 ASN 13 15.768 0.100 3.882 113 HD21 ASN 13 HD21 ASN 13 15.400 1.317 1.987 114 H GLY 14 H GLY 14 11.979 -1.348 5.813 115 HA2 GLY 14 HA2 GLY 14 10.263 -0.880 7.307 116 HA3 GLY 14 HA3 GLY 14 11.088 0.589 7.856 117 H THR 15 H THR 15 10.687 0.299 4.389 118 HA THR 15 HA THR 15 8.643 2.460 4.376 119 HB THR 15 HB THR 15 10.319 1.164 2.186 120 HG1 THR 15 HG1 THR 15 11.591 2.345 3.347 121 HG21 THR 15 HG21 THR 15 8.463 3.562 2.013 122 HG22 THR 15 HG22 THR 15 9.673 3.098 0.788 123 HG23 THR 15 HG23 THR 15 8.317 2.022 1.124 124 H VAL 16 H VAL 16 6.534 2.122 3.800 125 HA VAL 16 HA VAL 16 5.632 -0.677 3.368 126 HB VAL 16 HB VAL 16 4.246 1.919 4.134 127 HG11 VAL 16 HG11 VAL 16 2.920 -0.788 3.693 128 HG12 VAL 16 HG12 VAL 16 2.175 0.612 4.488 129 HG13 VAL 16 HG13 VAL 16 2.602 0.708 2.783 130 HG21 VAL 16 HG21 VAL 16 5.532 0.760 5.914 131 HG22 VAL 16 HG22 VAL 16 3.793 0.710 6.235 132 HG23 VAL 16 HG23 VAL 16 4.614 -0.731 5.596 133 H TYR 17 H TYR 17 4.470 -1.350 1.631 134 HA TYR 17 HA TYR 17 3.649 0.516 -0.474 135 HB2 TYR 17 HB2 TYR 17 4.659 -0.630 -2.301 136 HB3 TYR 17 HB3 TYR 17 5.879 -0.004 -1.202 137 HD1 TYR 17 HD1 TYR 17 7.141 -1.590 0.338 138 HD2 TYR 17 HD2 TYR 17 4.626 -2.954 -2.892 139 HE1 TYR 17 HE1 TYR 17 8.428 -3.718 0.224 140 HE2 TYR 17 HE2 TYR 17 5.936 -5.062 -3.026 141 HH TYR 17 HH TYR 17 8.746 -5.677 -0.918 142 H TYR 18 H TYR 18 2.570 -0.995 -2.311 143 HA TYR 18 HA TYR 18 0.952 -3.151 -1.044 144 HB2 TYR 18 HB2 TYR 18 0.047 -1.089 -3.091 145 HB3 TYR 18 HB3 TYR 18 -0.897 -2.448 -2.481 146 HD1 TYR 18 HD1 TYR 18 0.450 0.898 -1.650 147 HD2 TYR 18 HD2 TYR 18 -1.844 -2.481 -0.263 148 HE1 TYR 18 HE1 TYR 18 -0.443 2.275 0.238 149 HE2 TYR 18 HE2 TYR 18 -2.738 -1.106 1.594 150 HH TYR 18 HH TYR 18 -1.649 2.249 2.178 151 H PHE 19 H PHE 19 0.504 -4.933 -2.255 152 HA PHE 19 HA PHE 19 1.742 -5.208 -4.931 153 HB2 PHE 19 HB2 PHE 19 3.385 -6.108 -3.589 154 HB3 PHE 19 HB3 PHE 19 2.205 -6.880 -2.515 155 HD1 PHE 19 HD1 PHE 19 3.889 -7.158 -5.802 156 HD2 PHE 19 HD2 PHE 19 1.290 -9.067 -2.935 157 HE1 PHE 19 HE1 PHE 19 4.189 -9.319 -6.971 158 HE2 PHE 19 HE2 PHE 19 1.628 -11.237 -4.086 159 HZ PHE 19 HZ PHE 19 3.060 -11.369 -6.117 160 H ASN 20 H ASN 20 0.684 -6.237 -6.488 161 HA ASN 20 HA ASN 20 -2.046 -7.224 -5.838 162 HB2 ASN 20 HB2 ASN 20 -1.707 -5.449 -7.556 163 HB3 ASN 20 HB3 ASN 20 -0.781 -6.605 -8.533 164 HD21 ASN 20 HD21 ASN 20 -3.434 -5.191 -8.988 165 HD22 ASN 20 HD22 ASN 20 -4.531 -6.521 -9.368 166 H HIS 21 H HIS 21 -2.019 -9.342 -5.254 167 HA HIS 21 HA HIS 21 0.121 -11.107 -6.142 168 HB2 HIS 21 HB2 HIS 21 -0.431 -12.428 -4.436 169 HB3 HIS 21 HB3 HIS 21 -1.270 -10.994 -3.853 170 HD2 HIS 21 HD2 HIS 21 -4.038 -10.977 -4.381 171 HE1 HIS 21 HE1 HIS 21 -4.369 -15.222 -4.606 172 HE2 HIS 21 HE2 HIS 21 -5.673 -13.050 -4.350 173 H ILE 22 H ILE 22 -2.845 -10.289 -7.604 174 HA ILE 22 HA ILE 22 -3.245 -12.808 -9.025 175 HB ILE 22 HB ILE 22 -4.356 -10.041 -9.626 176 HG12 ILE 22 HG12 ILE 22 -4.968 -10.589 -7.331 177 HG13 ILE 22 HG13 ILE 22 -6.370 -10.599 -8.402 178 HG21 ILE 22 HG21 ILE 22 -6.206 -11.318 -10.707 179 HG22 ILE 22 HG22 ILE 22 -4.641 -11.491 -11.506 180 HG23 ILE 22 HG23 ILE 22 -5.255 -12.806 -10.483 181 HD11 ILE 22 HD11 ILE 22 -6.377 -13.071 -8.410 182 HD12 ILE 22 HD12 ILE 22 -4.924 -13.087 -7.381 183 HD13 ILE 22 HD13 ILE 22 -6.451 -12.427 -6.762 184 H THR 23 H THR 23 -1.806 -9.621 -9.646 185 HA THR 23 HA THR 23 -0.974 -10.415 -12.386 186 HB THR 23 HB THR 23 -1.117 -8.178 -13.046 187 HG1 THR 23 HG1 THR 23 -1.800 -6.670 -11.278 188 HG21 THR 23 HG21 THR 23 -3.368 -7.494 -12.602 189 HG22 THR 23 HG22 THR 23 -3.368 -9.265 -12.666 190 HG23 THR 23 HG23 THR 23 -3.443 -8.430 -11.097 191 H ASN 24 H ASN 24 0.461 -9.910 -9.412 192 HA ASN 24 HA ASN 24 2.480 -9.636 -8.605 193 HB2 ASN 24 HB2 ASN 24 3.560 -10.297 -11.361 194 HB3 ASN 24 HB3 ASN 24 4.500 -10.241 -9.863 195 HD21 ASN 24 HD21 ASN 24 3.030 -12.381 -11.908 196 HD22 ASN 24 HD22 ASN 24 2.756 -13.678 -10.739 197 H ALA 25 H ALA 25 1.064 -7.303 -10.168 198 HA ALA 25 HA ALA 25 3.190 -5.354 -10.511 199 HB1 ALA 25 HB1 ALA 25 0.210 -4.971 -9.998 200 HB2 ALA 25 HB2 ALA 25 1.343 -3.744 -10.597 201 HB3 ALA 25 HB3 ALA 25 0.971 -5.162 -11.595 202 H SER 26 H SER 26 3.545 -3.451 -9.119 203 HA SER 26 HA SER 26 2.519 -3.497 -6.398 204 HB2 SER 26 HB2 SER 26 4.706 -3.454 -5.266 205 HB3 SER 26 HB3 SER 26 4.375 -5.002 -6.045 206 HG SER 26 HG SER 26 5.742 -4.418 -7.730 207 H GLN 27 H GLN 27 2.719 -1.605 -5.250 208 HA GLN 27 HA GLN 27 4.101 0.753 -6.251 209 HB2 GLN 27 HB2 GLN 27 2.186 2.038 -6.916 210 HB3 GLN 27 HB3 GLN 27 2.118 0.515 -7.807 211 HG2 GLN 27 HG2 GLN 27 0.431 -0.324 -6.128 212 HG3 GLN 27 HG3 GLN 27 0.437 1.273 -5.395 213 HE21 GLN 27 HE21 GLN 27 -1.484 2.224 -5.941 214 HE22 GLN 27 HE22 GLN 27 -2.165 2.225 -7.579 215 H PHE 28 H PHE 28 4.175 2.398 -4.599 216 HA PHE 28 HA PHE 28 2.854 1.713 -2.050 217 HB2 PHE 28 HB2 PHE 28 4.177 3.726 -1.157 218 HB3 PHE 28 HB3 PHE 28 4.926 2.157 -1.456 219 HD1 PHE 28 HD1 PHE 28 7.023 2.232 -2.313 220 HD2 PHE 28 HD2 PHE 28 4.174 5.222 -3.532 221 HE1 PHE 28 HE1 PHE 28 8.720 3.226 -3.874 222 HE2 PHE 28 HE2 PHE 28 5.813 6.180 -5.113 223 HZ PHE 28 HZ PHE 28 8.110 5.192 -5.277 224 H GLU 29 H GLU 29 2.085 3.729 -4.620 225 HA GLU 29 HA GLU 29 0.445 5.636 -3.180 226 HB2 GLU 29 HB2 GLU 29 1.307 6.006 -5.447 227 HB3 GLU 29 HB3 GLU 29 0.340 4.647 -6.057 228 HG2 GLU 29 HG2 GLU 29 -1.746 5.800 -5.404 229 HG3 GLU 29 HG3 GLU 29 -0.811 7.134 -4.720 230 H ARG 30 H ARG 30 -1.285 5.113 -2.009 231 HA ARG 30 HA ARG 30 -2.186 2.553 -1.602 232 HB2 ARG 30 HB2 ARG 30 -2.420 4.105 0.085 233 HB3 ARG 30 HB3 ARG 30 -3.277 5.258 -0.927 234 HG2 ARG 30 HG2 ARG 30 -4.657 4.285 0.830 235 HG3 ARG 30 HG3 ARG 30 -5.316 4.061 -0.798 236 HD2 ARG 30 HD2 ARG 30 -3.827 1.707 -0.216 237 HD3 ARG 30 HD3 ARG 30 -4.643 2.105 1.277 238 HE ARG 30 HE ARG 30 -5.929 1.561 -1.383 239 HH11 ARG 30 HH11 ARG 30 -6.455 1.845 2.091 240 HH12 ARG 30 HH12 ARG 30 -8.108 1.296 1.919 241 HH21 ARG 30 HH21 ARG 30 -7.967 1.019 -1.483 242 HH22 ARG 30 HH22 ARG 30 -8.897 0.692 -0.015 243 HA PRO 31 HA PRO 31 -4.481 1.923 -5.345 244 HB2 PRO 31 HB2 PRO 31 -5.194 -0.729 -5.031 245 HB3 PRO 31 HB3 PRO 31 -3.548 -0.160 -5.448 246 HG2 PRO 31 HG2 PRO 31 -4.610 -0.847 -2.675 247 HG3 PRO 31 HG3 PRO 31 -3.106 -1.426 -3.468 248 HD2 PRO 31 HD2 PRO 31 -3.057 0.623 -1.769 249 HD3 PRO 31 HD3 PRO 31 -2.094 0.706 -3.274 250 H SER 32 H SER 32 -6.518 1.926 -6.138 251 HA SER 32 HA SER 32 -8.840 1.643 -4.261 252 HB2 SER 32 HB2 SER 32 -8.452 3.573 -6.570 253 HB3 SER 32 HB3 SER 32 -9.974 3.339 -5.692 254 HG SER 32 HG SER 32 -8.729 5.082 -4.866 255 H GLY 33 H GLY 33 -7.435 0.153 -6.920 256 HA2 GLY 33 HA2 GLY 33 -9.284 -1.832 -7.348 257 HA3 GLY 33 HA3 GLY 33 -9.814 -0.566 -8.455 258 H1B XYP 101 H1 XYP 34 12.584 2.073 1.369 259 H2B XYP 101 H2 XYP 34 15.204 2.747 -0.078 260 H3B XYP 101 H3 XYP 34 12.359 3.726 -0.640 261 H4B XYP 101 H4 XYP 34 14.091 1.828 -2.304 262 H5B1 XYP 101 H5E XYP 34 12.481 0.062 -1.696 263 H5B2 XYP 101 H5A XYP 34 11.556 1.206 -0.702 264 HO2B XYP 101 H2O XYP 34 14.686 3.861 1.950 265 HO3B XYP 101 H3O XYP 34 14.164 5.153 -1.159 266 HO4B XYP 101 H4O XYP 34 12.555 3.298 -3.339 Start of MODEL 14 1 H1 LYS 1 H1 LYS 1 -11.761 -3.658 2.729 2 H2 LYS 1 H2 LYS 1 -12.750 -2.705 1.832 3 H3 LYS 1 H3 LYS 1 -12.856 -2.690 3.461 4 HA LYS 1 HA LYS 1 -11.775 -0.712 2.704 5 HB2 LYS 1 HB2 LYS 1 -11.194 -1.654 4.890 6 HB3 LYS 1 HB3 LYS 1 -9.866 -2.567 4.196 7 HG2 LYS 1 HG2 LYS 1 -10.024 0.473 3.988 8 HG3 LYS 1 HG3 LYS 1 -9.429 -0.342 5.429 9 HD2 LYS 1 HD2 LYS 1 -7.658 -1.477 4.027 10 HD3 LYS 1 HD3 LYS 1 -8.185 -0.500 2.651 11 HE2 LYS 1 HE2 LYS 1 -6.276 0.563 3.593 12 HE3 LYS 1 HE3 LYS 1 -7.688 1.574 3.911 13 HZ1 LYS 1 HZ1 LYS 1 -6.258 1.352 5.868 14 HZ2 LYS 1 HZ2 LYS 1 -7.721 0.705 6.184 15 HZ3 LYS 1 HZ3 LYS 1 -6.442 -0.271 5.882 16 H LEU 2 H LEU 2 -9.352 -3.333 2.100 17 HA LEU 2 HA LEU 2 -8.182 -1.762 -0.059 18 HB2 LEU 2 HB2 LEU 2 -6.984 -3.077 1.792 19 HB3 LEU 2 HB3 LEU 2 -7.482 -4.542 0.933 20 HG LEU 2 HG LEU 2 -6.209 -3.646 -1.091 21 HD11 LEU 2 HD11 LEU 2 -4.463 -1.961 -0.638 22 HD12 LEU 2 HD12 LEU 2 -6.058 -1.241 -0.403 23 HD13 LEU 2 HD13 LEU 2 -5.089 -1.718 1.006 24 HD21 LEU 2 HD21 LEU 2 -5.294 -5.362 0.427 25 HD22 LEU 2 HD22 LEU 2 -4.012 -4.280 -0.159 26 HD23 LEU 2 HD23 LEU 2 -4.654 -4.096 1.492 27 HA PRO 3 HA PRO 3 -10.701 -3.733 -3.137 28 HB2 PRO 3 HB2 PRO 3 -9.330 -3.187 -5.482 29 HB3 PRO 3 HB3 PRO 3 -10.285 -1.992 -4.551 30 HG2 PRO 3 HG2 PRO 3 -7.298 -2.470 -4.449 31 HG3 PRO 3 HG3 PRO 3 -8.171 -0.918 -4.576 32 HD2 PRO 3 HD2 PRO 3 -7.225 -1.859 -2.217 33 HD3 PRO 3 HD3 PRO 3 -8.791 -0.995 -2.324 34 HA PRO 4 HA PRO 4 -9.559 -7.853 -3.926 35 HB2 PRO 4 HB2 PRO 4 -10.367 -7.505 -6.819 36 HB3 PRO 4 HB3 PRO 4 -10.799 -8.819 -5.676 37 HG2 PRO 4 HG2 PRO 4 -12.565 -6.831 -6.158 38 HG3 PRO 4 HG3 PRO 4 -12.282 -7.370 -4.467 39 HD2 PRO 4 HD2 PRO 4 -11.120 -4.962 -5.895 40 HD3 PRO 4 HD3 PRO 4 -11.833 -5.081 -4.255 41 H GLY 5 H GLY 5 -7.845 -9.095 -4.412 42 HA2 GLY 5 HA2 GLY 5 -5.914 -9.884 -5.392 43 HA3 GLY 5 HA3 GLY 5 -6.013 -8.621 -6.633 44 H TRP 6 H TRP 6 -6.120 -6.556 -4.251 45 HA TRP 6 HA TRP 6 -3.217 -6.243 -4.052 46 HB2 TRP 6 HB2 TRP 6 -5.490 -4.517 -3.084 47 HB3 TRP 6 HB3 TRP 6 -3.792 -4.149 -2.818 48 HD1 TRP 6 HD1 TRP 6 -6.447 -4.172 -5.478 49 HE1 TRP 6 HE1 TRP 6 -5.585 -3.130 -7.670 50 HE3 TRP 6 HE3 TRP 6 -1.502 -3.758 -4.267 51 HZ2 TRP 6 HZ2 TRP 6 -3.045 -2.318 -8.782 52 HZ3 TRP 6 HZ3 TRP 6 0.139 -2.868 -5.937 53 HH2 TRP 6 HH2 TRP 6 -0.625 -2.167 -8.185 54 H GLU 7 H GLU 7 -1.972 -6.099 -2.274 55 HA GLU 7 HA GLU 7 -2.962 -6.732 0.425 56 HB2 GLU 7 HB2 GLU 7 -2.479 -8.930 -0.401 57 HB3 GLU 7 HB3 GLU 7 -1.033 -8.388 -1.227 58 HG2 GLU 7 HG2 GLU 7 -0.487 -9.784 0.654 59 HG3 GLU 7 HG3 GLU 7 0.199 -8.182 0.809 60 H LYS 8 H LYS 8 -1.649 -5.856 2.061 61 HA LYS 8 HA LYS 8 0.200 -3.732 1.240 62 HB2 LYS 8 HB2 LYS 8 -0.804 -4.683 3.927 63 HB3 LYS 8 HB3 LYS 8 0.585 -3.582 3.800 64 HG2 LYS 8 HG2 LYS 8 -0.704 -2.013 2.442 65 HG3 LYS 8 HG3 LYS 8 -2.105 -3.102 2.470 66 HD2 LYS 8 HD2 LYS 8 -2.566 -1.388 4.034 67 HD3 LYS 8 HD3 LYS 8 -2.130 -2.805 5.010 68 HE2 LYS 8 HE2 LYS 8 0.202 -1.899 5.226 69 HE3 LYS 8 HE3 LYS 8 -0.264 -0.503 4.244 70 HZ1 LYS 8 HZ1 LYS 8 -1.865 0.098 5.975 71 HZ2 LYS 8 HZ2 LYS 8 -1.447 -1.199 6.881 72 HZ3 LYS 8 HZ3 LYS 8 -0.369 -0.002 6.619 73 H ARG 9 H ARG 9 2.322 -3.558 1.519 74 HA ARG 9 HA ARG 9 3.995 -5.963 2.106 75 HB2 ARG 9 HB2 ARG 9 3.119 -5.430 -0.466 76 HB3 ARG 9 HB3 ARG 9 4.529 -4.403 -0.404 77 HG2 ARG 9 HG2 ARG 9 5.339 -6.366 -1.327 78 HG3 ARG 9 HG3 ARG 9 5.804 -6.562 0.376 79 HD2 ARG 9 HD2 ARG 9 3.563 -7.897 -1.192 80 HD3 ARG 9 HD3 ARG 9 4.981 -8.653 -0.456 81 HE ARG 9 HE ARG 9 2.720 -7.417 1.109 82 HH11 ARG 9 HH11 ARG 9 4.850 -10.198 0.749 83 HH12 ARG 9 HH12 ARG 9 4.160 -10.968 2.155 84 HH21 ARG 9 HH21 ARG 9 1.948 -8.406 2.806 85 HH22 ARG 9 HH22 ARG 9 2.531 -9.983 3.290 86 H MET 10 H MET 10 6.355 -5.412 2.172 87 HA MET 10 HA MET 10 6.951 -2.589 2.750 88 HB2 MET 10 HB2 MET 10 5.790 -3.505 4.798 89 HB3 MET 10 HB3 MET 10 7.117 -4.674 4.958 90 HG2 MET 10 HG2 MET 10 8.711 -2.729 5.152 91 HG3 MET 10 HG3 MET 10 7.315 -1.640 5.045 92 HE1 MET 10 HE1 MET 10 9.474 -3.998 7.191 93 HE2 MET 10 HE2 MET 10 8.488 -4.300 8.638 94 HE3 MET 10 HE3 MET 10 8.032 -5.034 7.088 95 H PHE 11 H PHE 11 9.014 -2.057 2.560 96 HA PHE 11 HA PHE 11 11.005 -3.952 1.655 97 HB2 PHE 11 HB2 PHE 11 11.050 -0.987 2.202 98 HB3 PHE 11 HB3 PHE 11 12.493 -1.887 1.729 99 HD1 PHE 11 HD1 PHE 11 12.506 -3.208 -0.458 100 HD2 PHE 11 HD2 PHE 11 9.505 -0.263 0.509 101 HE1 PHE 11 HE1 PHE 11 11.925 -3.002 -2.866 102 HE2 PHE 11 HE2 PHE 11 8.936 -0.054 -1.898 103 HZ PHE 11 HZ PHE 11 10.142 -1.424 -3.588 104 H ALA 12 H ALA 12 13.176 -4.214 2.507 105 HA ALA 12 HA ALA 12 13.225 -5.113 5.196 106 HB1 ALA 12 HB1 ALA 12 15.640 -5.401 4.773 107 HB2 ALA 12 HB2 ALA 12 14.681 -5.949 3.386 108 HB3 ALA 12 HB3 ALA 12 15.522 -4.380 3.324 109 H ASN 13 H ASN 13 13.806 -1.896 3.951 110 HA ASN 13 HA ASN 13 15.064 -0.902 6.416 111 HB2 ASN 13 HB2 ASN 13 15.154 1.236 5.248 112 HB3 ASN 13 HB3 ASN 13 15.803 -0.075 4.253 113 HD21 ASN 13 HD21 ASN 13 15.546 1.319 2.461 114 H GLY 14 H GLY 14 11.899 -1.711 5.800 115 HA2 GLY 14 HA2 GLY 14 10.113 -1.392 7.251 116 HA3 GLY 14 HA3 GLY 14 10.906 0.013 7.981 117 H THR 15 H THR 15 10.644 0.034 4.478 118 HA THR 15 HA THR 15 8.645 2.224 4.599 119 HB THR 15 HB THR 15 10.337 1.132 2.318 120 HG1 THR 15 HG1 THR 15 11.655 2.092 3.627 121 HG21 THR 15 HG21 THR 15 8.596 3.616 2.463 122 HG22 THR 15 HG22 THR 15 9.790 3.263 1.187 123 HG23 THR 15 HG23 THR 15 8.383 2.211 1.384 124 H VAL 16 H VAL 16 6.536 1.911 4.129 125 HA VAL 16 HA VAL 16 5.628 -0.768 3.272 126 HB VAL 16 HB VAL 16 4.211 1.638 4.472 127 HG11 VAL 16 HG11 VAL 16 3.046 -1.093 3.799 128 HG12 VAL 16 HG12 VAL 16 2.261 0.143 4.807 129 HG13 VAL 16 HG13 VAL 16 2.561 0.473 3.102 130 HG21 VAL 16 HG21 VAL 16 5.677 0.393 6.044 131 HG22 VAL 16 HG22 VAL 16 3.969 0.180 6.446 132 HG23 VAL 16 HG23 VAL 16 4.845 -1.118 5.613 133 H TYR 17 H TYR 17 4.355 -1.183 1.552 134 HA TYR 17 HA TYR 17 3.385 0.868 -0.306 135 HB2 TYR 17 HB2 TYR 17 4.621 0.076 -2.212 136 HB3 TYR 17 HB3 TYR 17 5.769 0.543 -0.968 137 HD1 TYR 17 HD1 TYR 17 6.998 -1.255 0.343 138 HD2 TYR 17 HD2 TYR 17 4.602 -2.121 -3.140 139 HE1 TYR 17 HE1 TYR 17 8.243 -3.383 0.006 140 HE2 TYR 17 HE2 TYR 17 5.825 -4.269 -3.446 141 HH TYR 17 HH TYR 17 8.549 -5.200 -1.326 142 H TYR 18 H TYR 18 2.608 -0.645 -2.373 143 HA TYR 18 HA TYR 18 0.889 -2.775 -1.206 144 HB2 TYR 18 HB2 TYR 18 0.177 -0.620 -3.209 145 HB3 TYR 18 HB3 TYR 18 -0.848 -2.000 -2.788 146 HD1 TYR 18 HD1 TYR 18 0.645 1.142 -1.533 147 HD2 TYR 18 HD2 TYR 18 -1.986 -2.158 -0.640 148 HE1 TYR 18 HE1 TYR 18 -0.104 2.315 0.514 149 HE2 TYR 18 HE2 TYR 18 -2.813 -0.945 1.364 150 HH TYR 18 HH TYR 18 -1.472 2.223 2.356 151 H PHE 19 H PHE 19 0.477 -4.600 -2.269 152 HA PHE 19 HA PHE 19 1.815 -5.073 -4.876 153 HB2 PHE 19 HB2 PHE 19 3.380 -5.811 -3.303 154 HB3 PHE 19 HB3 PHE 19 2.129 -6.574 -2.311 155 HD1 PHE 19 HD1 PHE 19 1.342 -8.850 -2.736 156 HD2 PHE 19 HD2 PHE 19 4.095 -6.883 -5.419 157 HE1 PHE 19 HE1 PHE 19 1.865 -11.019 -3.803 158 HE2 PHE 19 HE2 PHE 19 4.537 -9.048 -6.550 159 HZ PHE 19 HZ PHE 19 3.433 -11.127 -5.732 160 H ASN 20 H ASN 20 0.781 -6.211 -6.383 161 HA ASN 20 HA ASN 20 -1.927 -7.237 -5.709 162 HB2 ASN 20 HB2 ASN 20 -1.616 -5.618 -7.576 163 HB3 ASN 20 HB3 ASN 20 -0.621 -6.822 -8.420 164 HD21 ASN 20 HD21 ASN 20 -3.414 -5.539 -8.894 165 HD22 ASN 20 HD22 ASN 20 -4.403 -6.959 -9.246 166 H HIS 21 H HIS 21 -1.931 -9.314 -5.026 167 HA HIS 21 HA HIS 21 0.322 -11.074 -5.553 168 HB2 HIS 21 HB2 HIS 21 -0.457 -12.326 -3.861 169 HB3 HIS 21 HB3 HIS 21 -1.365 -10.870 -3.474 170 HD2 HIS 21 HD2 HIS 21 -4.033 -10.874 -4.162 171 HE1 HIS 21 HE1 HIS 21 -4.403 -15.061 -4.788 172 HE2 HIS 21 HE2 HIS 21 -5.687 -12.899 -4.454 173 H ILE 22 H ILE 22 -2.648 -10.535 -7.238 174 HA ILE 22 HA ILE 22 -2.767 -13.150 -8.504 175 HB ILE 22 HB ILE 22 -4.258 -10.558 -9.101 176 HG12 ILE 22 HG12 ILE 22 -4.904 -12.999 -7.378 177 HG13 ILE 22 HG13 ILE 22 -4.688 -11.323 -6.835 178 HG21 ILE 22 HG21 ILE 22 -4.836 -13.411 -10.007 179 HG22 ILE 22 HG22 ILE 22 -5.854 -11.986 -10.321 180 HG23 ILE 22 HG23 ILE 22 -4.263 -12.085 -11.045 181 HD11 ILE 22 HD11 ILE 22 -6.994 -11.847 -6.728 182 HD12 ILE 22 HD12 ILE 22 -6.765 -10.688 -8.059 183 HD13 ILE 22 HD13 ILE 22 -7.035 -12.422 -8.399 184 H THR 23 H THR 23 -1.687 -9.889 -9.371 185 HA THR 23 HA THR 23 -0.743 -10.798 -12.038 186 HB THR 23 HB THR 23 -1.028 -8.622 -12.838 187 HG1 THR 23 HG1 THR 23 -1.919 -7.157 -11.008 188 HG21 THR 23 HG21 THR 23 -3.328 -8.048 -12.424 189 HG22 THR 23 HG22 THR 23 -3.203 -9.816 -12.434 190 HG23 THR 23 HG23 THR 23 -3.354 -8.945 -10.891 191 H ASN 24 H ASN 24 0.643 -10.052 -9.090 192 HA ASN 24 HA ASN 24 2.648 -9.580 -8.307 193 HB2 ASN 24 HB2 ASN 24 3.752 -10.357 -11.026 194 HB3 ASN 24 HB3 ASN 24 4.690 -10.149 -9.541 195 HD21 ASN 24 HD21 ASN 24 3.102 -13.724 -10.184 196 HD22 ASN 24 HD22 ASN 24 3.258 -12.484 -11.433 197 H ALA 25 H ALA 25 1.080 -7.454 -10.028 198 HA ALA 25 HA ALA 25 3.065 -5.406 -10.529 199 HB1 ALA 25 HB1 ALA 25 0.804 -5.414 -11.547 200 HB2 ALA 25 HB2 ALA 25 0.085 -5.155 -9.940 201 HB3 ALA 25 HB3 ALA 25 1.127 -3.913 -10.657 202 H SER 26 H SER 26 3.284 -3.378 -9.277 203 HA SER 26 HA SER 26 2.445 -3.359 -6.493 204 HB2 SER 26 HB2 SER 26 4.683 -3.106 -5.514 205 HB3 SER 26 HB3 SER 26 4.436 -4.708 -6.215 206 HG SER 26 HG SER 26 5.652 -4.094 -7.994 207 H GLN 27 H GLN 27 2.647 -1.378 -5.428 208 HA GLN 27 HA GLN 27 3.704 0.976 -6.816 209 HB2 GLN 27 HB2 GLN 27 1.619 2.127 -7.088 210 HB3 GLN 27 HB3 GLN 27 1.490 0.570 -7.909 211 HG2 GLN 27 HG2 GLN 27 0.176 -0.324 -5.972 212 HG3 GLN 27 HG3 GLN 27 0.297 1.250 -5.189 213 HE21 GLN 27 HE21 GLN 27 -2.665 2.237 -6.652 214 HE22 GLN 27 HE22 GLN 27 -1.625 2.168 -5.221 215 H PHE 28 H PHE 28 3.823 2.849 -5.449 216 HA PHE 28 HA PHE 28 3.771 2.236 -2.590 217 HB2 PHE 28 HB2 PHE 28 5.704 3.292 -3.161 218 HB3 PHE 28 HB3 PHE 28 4.892 4.469 -4.203 219 HD1 PHE 28 HD1 PHE 28 5.730 3.634 -0.690 220 HD2 PHE 28 HD2 PHE 28 3.846 6.484 -3.328 221 HE1 PHE 28 HE1 PHE 28 5.665 5.300 1.150 222 HE2 PHE 28 HE2 PHE 28 3.767 8.141 -1.484 223 HZ PHE 28 HZ PHE 28 4.684 7.556 0.759 224 H GLU 29 H GLU 29 1.832 4.382 -4.608 225 HA GLU 29 HA GLU 29 0.413 5.536 -2.380 226 HB2 GLU 29 HB2 GLU 29 0.593 6.800 -4.372 227 HB3 GLU 29 HB3 GLU 29 0.008 5.476 -5.368 228 HG2 GLU 29 HG2 GLU 29 -1.633 7.195 -5.287 229 HG3 GLU 29 HG3 GLU 29 -2.261 5.746 -4.526 230 H ARG 30 H ARG 30 -1.619 5.141 -1.565 231 HA ARG 30 HA ARG 30 -2.323 2.393 -1.344 232 HB2 ARG 30 HB2 ARG 30 -2.546 3.919 0.471 233 HB3 ARG 30 HB3 ARG 30 -3.717 4.913 -0.386 234 HG2 ARG 30 HG2 ARG 30 -4.311 1.982 0.127 235 HG3 ARG 30 HG3 ARG 30 -4.457 3.147 1.451 236 HD2 ARG 30 HD2 ARG 30 -6.359 4.052 0.683 237 HD3 ARG 30 HD3 ARG 30 -5.801 4.118 -0.975 238 HE ARG 30 HE ARG 30 -6.452 1.825 -1.337 239 HH11 ARG 30 HH11 ARG 30 -7.852 3.120 1.631 240 HH12 ARG 30 HH12 ARG 30 -9.237 2.066 1.483 241 HH21 ARG 30 HH21 ARG 30 -8.177 0.663 -1.464 242 HH22 ARG 30 HH22 ARG 30 -9.352 0.571 -0.152 243 HA PRO 31 HA PRO 31 -4.779 2.129 -5.080 244 HB2 PRO 31 HB2 PRO 31 -5.591 -0.483 -4.929 245 HB3 PRO 31 HB3 PRO 31 -3.914 0.013 -5.305 246 HG2 PRO 31 HG2 PRO 31 -5.024 -0.838 -2.620 247 HG3 PRO 31 HG3 PRO 31 -3.525 -1.398 -3.431 248 HD2 PRO 31 HD2 PRO 31 -3.510 0.548 -1.538 249 HD3 PRO 31 HD3 PRO 31 -2.410 0.615 -2.951 250 H SER 32 H SER 32 -6.565 3.368 -4.968 251 HA SER 32 HA SER 32 -8.480 3.085 -2.773 252 HB2 SER 32 HB2 SER 32 -8.237 5.089 -5.037 253 HB3 SER 32 HB3 SER 32 -9.443 5.173 -3.739 254 HG SER 32 HG SER 32 -6.619 5.101 -3.355 255 H GLY 33 H GLY 33 -8.409 1.592 -5.769 256 HA2 GLY 33 HA2 GLY 33 -10.968 0.377 -5.552 257 HA3 GLY 33 HA3 GLY 33 -11.087 1.700 -6.715 258 H1B XYP 101 H1 XYP 34 12.848 2.212 1.733 259 H2B XYP 101 H2 XYP 34 15.552 2.587 0.324 260 H3B XYP 101 H3 XYP 34 12.867 3.942 -0.234 261 H4B XYP 101 H4 XYP 34 14.377 1.894 -1.930 262 H5B1 XYP 101 H5E XYP 34 12.581 0.310 -1.413 263 H5B2 XYP 101 H5A XYP 34 11.753 1.511 -0.402 264 HO2B XYP 101 H2O XYP 34 15.160 4.794 1.048 265 HO3B XYP 101 H3O XYP 34 14.143 4.613 -2.148 266 HO4B XYP 101 H4O XYP 34 11.760 3.073 -2.241 Start of MODEL 15 1 H1 LYS 1 H1 LYS 1 -11.656 -3.317 2.759 2 H2 LYS 1 H2 LYS 1 -12.505 -2.109 2.047 3 H3 LYS 1 H3 LYS 1 -12.494 -2.251 3.673 4 HA LYS 1 HA LYS 1 -11.106 -0.432 3.003 5 HB2 LYS 1 HB2 LYS 1 -10.513 -1.641 5.063 6 HB3 LYS 1 HB3 LYS 1 -9.521 -2.766 4.139 7 HG2 LYS 1 HG2 LYS 1 -8.117 -0.723 3.397 8 HG3 LYS 1 HG3 LYS 1 -9.080 0.226 4.531 9 HD2 LYS 1 HD2 LYS 1 -7.064 -0.327 5.653 10 HD3 LYS 1 HD3 LYS 1 -8.303 -1.377 6.361 11 HE2 LYS 1 HE2 LYS 1 -7.541 -3.230 4.836 12 HE3 LYS 1 HE3 LYS 1 -6.300 -2.155 4.174 13 HZ1 LYS 1 HZ1 LYS 1 -5.408 -3.582 5.926 14 HZ2 LYS 1 HZ2 LYS 1 -5.340 -2.023 6.418 15 HZ3 LYS 1 HZ3 LYS 1 -6.487 -3.021 7.013 16 H LEU 2 H LEU 2 -9.175 -3.323 2.078 17 HA LEU 2 HA LEU 2 -7.873 -1.753 -0.004 18 HB2 LEU 2 HB2 LEU 2 -6.739 -3.120 1.781 19 HB3 LEU 2 HB3 LEU 2 -7.346 -4.576 0.974 20 HG LEU 2 HG LEU 2 -5.991 -3.900 -1.049 21 HD11 LEU 2 HD11 LEU 2 -4.178 -2.234 -0.690 22 HD12 LEU 2 HD12 LEU 2 -5.753 -1.457 -0.582 23 HD13 LEU 2 HD13 LEU 2 -4.863 -1.832 0.907 24 HD21 LEU 2 HD21 LEU 2 -3.824 -4.518 -0.028 25 HD22 LEU 2 HD22 LEU 2 -4.487 -4.189 1.588 26 HD23 LEU 2 HD23 LEU 2 -5.147 -5.515 0.608 27 HA PRO 3 HA PRO 3 -10.337 -3.516 -3.226 28 HB2 PRO 3 HB2 PRO 3 -8.136 -3.314 -5.204 29 HB3 PRO 3 HB3 PRO 3 -9.707 -2.467 -5.164 30 HG2 PRO 3 HG2 PRO 3 -7.331 -1.206 -4.597 31 HG3 PRO 3 HG3 PRO 3 -8.876 -0.769 -3.794 32 HD2 PRO 3 HD2 PRO 3 -6.647 -2.525 -2.734 33 HD3 PRO 3 HD3 PRO 3 -7.574 -1.227 -1.936 34 HA PRO 4 HA PRO 4 -9.607 -7.835 -3.912 35 HB2 PRO 4 HB2 PRO 4 -10.215 -7.410 -6.842 36 HB3 PRO 4 HB3 PRO 4 -10.861 -8.654 -5.722 37 HG2 PRO 4 HG2 PRO 4 -12.358 -6.487 -6.337 38 HG3 PRO 4 HG3 PRO 4 -12.260 -7.040 -4.630 39 HD2 PRO 4 HD2 PRO 4 -10.727 -4.792 -5.969 40 HD3 PRO 4 HD3 PRO 4 -11.577 -4.805 -4.391 41 H GLY 5 H GLY 5 -7.938 -9.211 -4.351 42 HA2 GLY 5 HA2 GLY 5 -5.983 -10.071 -5.170 43 HA3 GLY 5 HA3 GLY 5 -6.022 -8.876 -6.482 44 H TRP 6 H TRP 6 -6.059 -6.696 -4.193 45 HA TRP 6 HA TRP 6 -3.157 -6.419 -4.052 46 HB2 TRP 6 HB2 TRP 6 -5.421 -4.682 -3.101 47 HB3 TRP 6 HB3 TRP 6 -3.734 -4.315 -2.787 48 HD1 TRP 6 HD1 TRP 6 -6.292 -4.361 -5.559 49 HE1 TRP 6 HE1 TRP 6 -5.426 -3.069 -7.605 50 HE3 TRP 6 HE3 TRP 6 -1.408 -3.943 -4.168 51 HZ2 TRP 6 HZ2 TRP 6 -2.840 -2.228 -8.622 52 HZ3 TRP 6 HZ3 TRP 6 0.267 -2.967 -5.730 53 HH2 TRP 6 HH2 TRP 6 -0.434 -2.114 -7.953 54 H GLU 7 H GLU 7 -1.838 -6.278 -2.304 55 HA GLU 7 HA GLU 7 -2.794 -6.934 0.411 56 HB2 GLU 7 HB2 GLU 7 -2.258 -9.095 -0.539 57 HB3 GLU 7 HB3 GLU 7 -0.794 -8.477 -1.271 58 HG2 GLU 7 HG2 GLU 7 -0.267 -9.931 0.554 59 HG3 GLU 7 HG3 GLU 7 0.330 -8.311 0.848 60 H LYS 8 H LYS 8 -1.558 -5.996 2.041 61 HA LYS 8 HA LYS 8 0.275 -3.851 1.263 62 HB2 LYS 8 HB2 LYS 8 -0.798 -4.809 3.918 63 HB3 LYS 8 HB3 LYS 8 0.598 -3.718 3.843 64 HG2 LYS 8 HG2 LYS 8 -0.652 -2.147 2.424 65 HG3 LYS 8 HG3 LYS 8 -2.070 -3.211 2.481 66 HD2 LYS 8 HD2 LYS 8 -2.473 -1.453 4.024 67 HD3 LYS 8 HD3 LYS 8 -2.068 -2.868 5.016 68 HE2 LYS 8 HE2 LYS 8 0.282 -2.028 5.214 69 HE3 LYS 8 HE3 LYS 8 -0.136 -0.641 4.200 70 HZ1 LYS 8 HZ1 LYS 8 -1.712 0.059 5.916 71 HZ2 LYS 8 HZ2 LYS 8 -1.332 -1.227 6.855 72 HZ3 LYS 8 HZ3 LYS 8 -0.217 -0.075 6.557 73 H ARG 9 H ARG 9 2.362 -3.637 1.574 74 HA ARG 9 HA ARG 9 4.120 -5.981 2.209 75 HB2 ARG 9 HB2 ARG 9 3.537 -4.744 -0.423 76 HB3 ARG 9 HB3 ARG 9 5.226 -4.621 -0.012 77 HG2 ARG 9 HG2 ARG 9 4.765 -6.589 -1.359 78 HG3 ARG 9 HG3 ARG 9 5.443 -7.031 0.222 79 HD2 ARG 9 HD2 ARG 9 3.325 -7.768 1.031 80 HD3 ARG 9 HD3 ARG 9 2.450 -7.056 -0.344 81 HE ARG 9 HE ARG 9 3.887 -8.745 -1.732 82 HH11 ARG 9 HH11 ARG 9 2.497 -9.512 1.399 83 HH12 ARG 9 HH12 ARG 9 2.441 -11.219 1.042 84 HH21 ARG 9 HH21 ARG 9 3.764 -10.908 -2.114 85 HH22 ARG 9 HH22 ARG 9 3.132 -11.979 -0.894 86 H MET 10 H MET 10 6.423 -5.358 2.433 87 HA MET 10 HA MET 10 6.979 -2.533 2.957 88 HB2 MET 10 HB2 MET 10 5.812 -3.389 5.042 89 HB3 MET 10 HB3 MET 10 7.171 -4.511 5.260 90 HG2 MET 10 HG2 MET 10 8.706 -2.503 5.346 91 HG3 MET 10 HG3 MET 10 7.273 -1.471 5.200 92 HE1 MET 10 HE1 MET 10 8.559 -3.919 8.903 93 HE2 MET 10 HE2 MET 10 8.116 -4.739 7.393 94 HE3 MET 10 HE3 MET 10 9.526 -3.654 7.436 95 H PHE 11 H PHE 11 9.046 -2.012 2.754 96 HA PHE 11 HA PHE 11 11.071 -3.930 1.980 97 HB2 PHE 11 HB2 PHE 11 11.062 -0.949 2.398 98 HB3 PHE 11 HB3 PHE 11 12.543 -1.840 2.040 99 HD1 PHE 11 HD1 PHE 11 12.733 -3.192 -0.099 100 HD2 PHE 11 HD2 PHE 11 9.565 -0.353 0.615 101 HE1 PHE 11 HE1 PHE 11 12.287 -3.068 -2.541 102 HE2 PHE 11 HE2 PHE 11 9.129 -0.225 -1.827 103 HZ PHE 11 HZ PHE 11 10.488 -1.583 -3.407 104 H ALA 12 H ALA 12 13.191 -4.197 2.919 105 HA ALA 12 HA ALA 12 13.170 -4.878 5.679 106 HB1 ALA 12 HB1 ALA 12 15.585 -5.247 5.328 107 HB2 ALA 12 HB2 ALA 12 14.640 -5.895 3.974 108 HB3 ALA 12 HB3 ALA 12 15.513 -4.353 3.795 109 H ASN 13 H ASN 13 13.794 -1.790 4.181 110 HA ASN 13 HA ASN 13 15.100 -0.590 6.514 111 HB2 ASN 13 HB2 ASN 13 15.136 1.433 5.173 112 HB3 ASN 13 HB3 ASN 13 15.695 0.054 4.214 113 HD21 ASN 13 HD21 ASN 13 15.270 1.575 2.433 114 H GLY 14 H GLY 14 11.888 -1.430 6.000 115 HA2 GLY 14 HA2 GLY 14 10.121 -1.010 7.464 116 HA3 GLY 14 HA3 GLY 14 10.924 0.445 8.078 117 H THR 15 H THR 15 10.669 0.242 4.589 118 HA THR 15 HA THR 15 8.639 2.411 4.551 119 HB THR 15 HB THR 15 10.370 1.175 2.383 120 HG1 THR 15 HG1 THR 15 11.556 2.259 3.806 121 HG21 THR 15 HG21 THR 15 8.402 2.166 1.344 122 HG22 THR 15 HG22 THR 15 8.667 3.681 2.250 123 HG23 THR 15 HG23 THR 15 9.844 3.126 1.026 124 H VAL 16 H VAL 16 6.541 2.045 4.044 125 HA VAL 16 HA VAL 16 5.674 -0.701 3.359 126 HB VAL 16 HB VAL 16 4.223 1.777 4.356 127 HG11 VAL 16 HG11 VAL 16 2.609 0.522 3.013 128 HG12 VAL 16 HG12 VAL 16 3.060 -0.990 3.839 129 HG13 VAL 16 HG13 VAL 16 2.256 0.323 4.727 130 HG21 VAL 16 HG21 VAL 16 5.646 0.632 6.040 131 HG22 VAL 16 HG22 VAL 16 3.928 0.451 6.414 132 HG23 VAL 16 HG23 VAL 16 4.820 -0.902 5.688 133 H TYR 17 H TYR 17 4.457 -1.243 1.619 134 HA TYR 17 HA TYR 17 3.522 0.702 -0.363 135 HB2 TYR 17 HB2 TYR 17 4.790 -0.140 -2.212 136 HB3 TYR 17 HB3 TYR 17 5.920 0.367 -0.970 137 HD1 TYR 17 HD1 TYR 17 7.141 -1.385 0.408 138 HD2 TYR 17 HD2 TYR 17 4.813 -2.363 -3.098 139 HE1 TYR 17 HE1 TYR 17 8.418 -3.506 0.139 140 HE2 TYR 17 HE2 TYR 17 6.060 -4.500 -3.332 141 HH TYR 17 HH TYR 17 8.741 -5.370 -1.128 142 H TYR 18 H TYR 18 2.808 -0.907 -2.365 143 HA TYR 18 HA TYR 18 1.076 -3.022 -1.172 144 HB2 TYR 18 HB2 TYR 18 0.370 -0.884 -3.211 145 HB3 TYR 18 HB3 TYR 18 -0.671 -2.224 -2.719 146 HD1 TYR 18 HD1 TYR 18 0.819 0.988 -1.649 147 HD2 TYR 18 HD2 TYR 18 -1.760 -2.293 -0.553 148 HE1 TYR 18 HE1 TYR 18 -0.014 2.301 0.291 149 HE2 TYR 18 HE2 TYR 18 -2.644 -0.954 1.342 150 HH TYR 18 HH TYR 18 -1.354 2.283 2.151 151 H PHE 19 H PHE 19 0.590 -4.807 -2.343 152 HA PHE 19 HA PHE 19 1.792 -5.162 -5.031 153 HB2 PHE 19 HB2 PHE 19 3.470 -5.985 -3.603 154 HB3 PHE 19 HB3 PHE 19 2.277 -6.801 -2.581 155 HD1 PHE 19 HD1 PHE 19 4.054 -6.950 -5.819 156 HD2 PHE 19 HD2 PHE 19 1.421 -9.026 -3.095 157 HE1 PHE 19 HE1 PHE 19 4.428 -9.066 -7.064 158 HE2 PHE 19 HE2 PHE 19 1.853 -11.144 -4.303 159 HZ PHE 19 HZ PHE 19 3.335 -11.170 -6.301 160 H ASN 20 H ASN 20 0.635 -6.290 -6.507 161 HA ASN 20 HA ASN 20 -1.971 -7.399 -5.575 162 HB2 ASN 20 HB2 ASN 20 -1.929 -5.629 -7.361 163 HB3 ASN 20 HB3 ASN 20 -1.117 -6.802 -8.418 164 HD21 ASN 20 HD21 ASN 20 -5.093 -6.970 -8.100 165 HD22 ASN 20 HD22 ASN 20 -4.134 -5.588 -7.575 166 H HIS 21 H HIS 21 -1.979 -9.520 -5.145 167 HA HIS 21 HA HIS 21 0.222 -11.193 -6.090 168 HB2 HIS 21 HB2 HIS 21 -0.210 -12.524 -4.358 169 HB3 HIS 21 HB3 HIS 21 -1.062 -11.113 -3.744 170 HD2 HIS 21 HD2 HIS 21 -3.867 -11.176 -4.212 171 HE1 HIS 21 HE1 HIS 21 -4.066 -15.433 -4.293 172 HE2 HIS 21 HE2 HIS 21 -5.430 -13.295 -4.069 173 H ILE 22 H ILE 22 -2.842 -10.511 -7.430 174 HA ILE 22 HA ILE 22 -3.176 -13.056 -8.836 175 HB ILE 22 HB ILE 22 -4.446 -10.352 -9.409 176 HG12 ILE 22 HG12 ILE 22 -4.924 -10.891 -7.078 177 HG13 ILE 22 HG13 ILE 22 -6.368 -10.950 -8.090 178 HG21 ILE 22 HG21 ILE 22 -6.273 -11.728 -10.391 179 HG22 ILE 22 HG22 ILE 22 -4.734 -11.851 -11.248 180 HG23 ILE 22 HG23 ILE 22 -5.251 -13.170 -10.177 181 HD11 ILE 22 HD11 ILE 22 -4.821 -13.385 -7.102 182 HD12 ILE 22 HD12 ILE 22 -6.333 -12.748 -6.421 183 HD13 ILE 22 HD13 ILE 22 -6.321 -13.415 -8.061 184 H THR 23 H THR 23 -1.956 -9.788 -9.507 185 HA THR 23 HA THR 23 -1.178 -10.545 -12.270 186 HB THR 23 HB THR 23 -1.480 -8.324 -12.928 187 HG1 THR 23 HG1 THR 23 -2.167 -6.837 -11.164 188 HG21 THR 23 HG21 THR 23 -3.645 -9.554 -12.438 189 HG22 THR 23 HG22 THR 23 -3.710 -8.685 -10.886 190 HG23 THR 23 HG23 THR 23 -3.750 -7.785 -12.414 191 H ASN 24 H ASN 24 0.368 -9.961 -9.362 192 HA ASN 24 HA ASN 24 2.410 -9.538 -8.657 193 HB2 ASN 24 HB2 ASN 24 3.391 -10.134 -11.466 194 HB3 ASN 24 HB3 ASN 24 4.389 -10.033 -10.009 195 HD21 ASN 24 HD21 ASN 24 2.970 -12.241 -12.013 196 HD22 ASN 24 HD22 ASN 24 2.819 -13.560 -10.848 197 H ALA 25 H ALA 25 0.742 -7.327 -10.096 198 HA ALA 25 HA ALA 25 2.667 -5.241 -10.664 199 HB1 ALA 25 HB1 ALA 25 0.711 -3.764 -10.554 200 HB2 ALA 25 HB2 ALA 25 0.335 -5.219 -11.494 201 HB3 ALA 25 HB3 ALA 25 -0.257 -5.058 -9.823 202 H SER 26 H SER 26 2.935 -3.256 -9.352 203 HA SER 26 HA SER 26 2.375 -3.409 -6.497 204 HB2 SER 26 HB2 SER 26 4.692 -2.982 -5.765 205 HB3 SER 26 HB3 SER 26 4.459 -4.593 -6.442 206 HG SER 26 HG SER 26 5.425 -3.906 -8.348 207 H GLN 27 H GLN 27 2.559 -1.493 -5.355 208 HA GLN 27 HA GLN 27 3.104 1.040 -6.804 209 HB2 GLN 27 HB2 GLN 27 0.401 0.186 -5.696 210 HB3 GLN 27 HB3 GLN 27 0.890 1.882 -5.737 211 HG2 GLN 27 HG2 GLN 27 1.156 1.856 -8.122 212 HG3 GLN 27 HG3 GLN 27 0.736 0.131 -8.198 213 HE21 GLN 27 HE21 GLN 27 -1.079 2.267 -5.939 214 HE22 GLN 27 HE22 GLN 27 -2.499 2.349 -6.985 215 H PHE 28 H PHE 28 3.799 2.675 -5.511 216 HA PHE 28 HA PHE 28 4.014 2.209 -2.609 217 HB2 PHE 28 HB2 PHE 28 5.973 3.095 -3.398 218 HB3 PHE 28 HB3 PHE 28 5.158 4.239 -4.473 219 HD1 PHE 28 HD1 PHE 28 4.270 6.365 -3.690 220 HD2 PHE 28 HD2 PHE 28 6.223 3.635 -0.977 221 HE1 PHE 28 HE1 PHE 28 4.411 8.162 -1.988 222 HE2 PHE 28 HE2 PHE 28 6.386 5.444 0.719 223 HZ PHE 28 HZ PHE 28 5.480 7.709 0.220 224 H GLU 29 H GLU 29 2.044 4.140 -4.751 225 HA GLU 29 HA GLU 29 0.637 5.472 -2.558 226 HB2 GLU 29 HB2 GLU 29 0.964 6.757 -4.520 227 HB3 GLU 29 HB3 GLU 29 0.409 5.457 -5.566 228 HG2 GLU 29 HG2 GLU 29 -1.209 7.186 -5.551 229 HG3 GLU 29 HG3 GLU 29 -1.900 5.749 -4.820 230 H ARG 30 H ARG 30 -1.300 5.015 -1.767 231 HA ARG 30 HA ARG 30 -2.087 2.348 -1.515 232 HB2 ARG 30 HB2 ARG 30 -2.394 3.820 0.252 233 HB3 ARG 30 HB3 ARG 30 -3.243 5.002 -0.725 234 HG2 ARG 30 HG2 ARG 30 -4.626 3.893 0.962 235 HG3 ARG 30 HG3 ARG 30 -5.262 3.807 -0.689 236 HD2 ARG 30 HD2 ARG 30 -3.784 1.408 -0.267 237 HD3 ARG 30 HD3 ARG 30 -4.637 1.685 1.233 238 HE ARG 30 HE ARG 30 -5.836 1.310 -1.487 239 HH11 ARG 30 HH11 ARG 30 -6.529 1.568 1.960 240 HH12 ARG 30 HH12 ARG 30 -8.217 1.206 1.682 241 HH21 ARG 30 HH21 ARG 30 -7.910 0.971 -1.716 242 HH22 ARG 30 HH22 ARG 30 -8.944 0.689 -0.310 243 HA PRO 31 HA PRO 31 -4.244 1.931 -5.392 244 HB2 PRO 31 HB2 PRO 31 -4.983 -0.726 -5.234 245 HB3 PRO 31 HB3 PRO 31 -3.316 -0.160 -5.561 246 HG2 PRO 31 HG2 PRO 31 -4.496 -0.947 -2.863 247 HG3 PRO 31 HG3 PRO 31 -2.973 -1.521 -3.619 248 HD2 PRO 31 HD2 PRO 31 -2.933 0.451 -1.846 249 HD3 PRO 31 HD3 PRO 31 -1.934 0.591 -3.324 250 H SER 32 H SER 32 -6.266 1.958 -6.253 251 HA SER 32 HA SER 32 -8.632 1.643 -4.433 252 HB2 SER 32 HB2 SER 32 -8.198 3.605 -6.707 253 HB3 SER 32 HB3 SER 32 -9.736 3.355 -5.863 254 HG SER 32 HG SER 32 -7.288 4.151 -4.659 255 H GLY 33 H GLY 33 -7.161 0.157 -7.041 256 HA2 GLY 33 HA2 GLY 33 -9.023 -1.811 -7.529 257 HA3 GLY 33 HA3 GLY 33 -9.488 -0.541 -8.662 258 H1B XYP 101 H1 XYP 34 12.373 1.769 1.721 259 H2B XYP 101 H2 XYP 34 14.715 3.551 0.875 260 H3B XYP 101 H3 XYP 34 11.769 3.819 0.121 261 H4B XYP 101 H4 XYP 34 14.065 2.883 -1.668 262 H5B1 XYP 101 H5E XYP 34 12.928 0.670 -1.661 263 H5B2 XYP 101 H5A XYP 34 11.727 1.280 -0.511 264 HO2B XYP 101 H2O XYP 34 12.415 3.902 2.550 265 HO3B XYP 101 H3O XYP 34 13.134 5.742 0.162 266 HO4B XYP 101 H4O XYP 34 12.250 4.107 -2.556 Start of MODEL 16 1 H1 LYS 1 H1 LYS 1 -12.720 -2.104 3.721 2 H2 LYS 1 H2 LYS 1 -12.059 -3.176 2.677 3 H3 LYS 1 H3 LYS 1 -12.720 -1.783 2.120 4 HA LYS 1 HA LYS 1 -11.076 -0.452 3.213 5 HB2 LYS 1 HB2 LYS 1 -10.643 -1.862 5.133 6 HB3 LYS 1 HB3 LYS 1 -9.936 -3.120 4.117 7 HG2 LYS 1 HG2 LYS 1 -8.091 -1.536 3.477 8 HG3 LYS 1 HG3 LYS 1 -8.804 -0.313 4.543 9 HD2 LYS 1 HD2 LYS 1 -8.425 -1.750 6.491 10 HD3 LYS 1 HD3 LYS 1 -7.874 -3.080 5.445 11 HE2 LYS 1 HE2 LYS 1 -5.987 -1.689 4.640 12 HE3 LYS 1 HE3 LYS 1 -6.527 -0.352 5.669 13 HZ1 LYS 1 HZ1 LYS 1 -6.163 -1.784 7.610 14 HZ2 LYS 1 HZ2 LYS 1 -5.648 -3.012 6.664 15 HZ3 LYS 1 HZ3 LYS 1 -4.780 -1.631 6.761 16 H LEU 2 H LEU 2 -9.488 -3.444 1.983 17 HA LEU 2 HA LEU 2 -8.194 -1.791 -0.069 18 HB2 LEU 2 HB2 LEU 2 -7.060 -3.207 1.779 19 HB3 LEU 2 HB3 LEU 2 -7.546 -4.612 0.819 20 HG LEU 2 HG LEU 2 -6.233 -3.565 -1.121 21 HD11 LEU 2 HD11 LEU 2 -5.160 -1.827 1.162 22 HD12 LEU 2 HD12 LEU 2 -4.480 -1.946 -0.483 23 HD13 LEU 2 HD13 LEU 2 -6.074 -1.231 -0.244 24 HD21 LEU 2 HD21 LEU 2 -5.385 -5.406 0.287 25 HD22 LEU 2 HD22 LEU 2 -4.071 -4.314 -0.209 26 HD23 LEU 2 HD23 LEU 2 -4.738 -4.233 1.446 27 HA PRO 3 HA PRO 3 -10.720 -3.702 -3.200 28 HB2 PRO 3 HB2 PRO 3 -9.283 -3.141 -5.503 29 HB3 PRO 3 HB3 PRO 3 -10.274 -1.954 -4.598 30 HG2 PRO 3 HG2 PRO 3 -7.287 -2.417 -4.405 31 HG3 PRO 3 HG3 PRO 3 -8.164 -0.871 -4.551 32 HD2 PRO 3 HD2 PRO 3 -7.287 -1.799 -2.170 33 HD3 PRO 3 HD3 PRO 3 -8.866 -0.963 -2.317 34 HA PRO 4 HA PRO 4 -9.557 -7.816 -3.965 35 HB2 PRO 4 HB2 PRO 4 -10.276 -7.461 -6.882 36 HB3 PRO 4 HB3 PRO 4 -10.743 -8.778 -5.755 37 HG2 PRO 4 HG2 PRO 4 -12.490 -6.788 -6.285 38 HG3 PRO 4 HG3 PRO 4 -12.260 -7.330 -4.588 39 HD2 PRO 4 HD2 PRO 4 -11.055 -4.921 -5.974 40 HD3 PRO 4 HD3 PRO 4 -11.815 -5.044 -4.358 41 H GLY 5 H GLY 5 -7.835 -9.074 -4.406 42 HA2 GLY 5 HA2 GLY 5 -5.902 -9.881 -5.342 43 HA3 GLY 5 HA3 GLY 5 -5.969 -8.619 -6.589 44 H TRP 6 H TRP 6 -6.038 -6.509 -4.281 45 HA TRP 6 HA TRP 6 -3.141 -6.251 -4.031 46 HB2 TRP 6 HB2 TRP 6 -5.399 -4.537 -3.007 47 HB3 TRP 6 HB3 TRP 6 -3.695 -4.177 -2.766 48 HD1 TRP 6 HD1 TRP 6 -6.406 -4.130 -5.365 49 HE1 TRP 6 HE1 TRP 6 -5.640 -2.873 -7.475 50 HE3 TRP 6 HE3 TRP 6 -1.440 -3.734 -4.259 51 HZ2 TRP 6 HZ2 TRP 6 -3.113 -2.075 -8.652 52 HZ3 TRP 6 HZ3 TRP 6 0.152 -2.709 -5.919 53 HH2 TRP 6 HH2 TRP 6 -0.680 -1.924 -8.110 54 H GLU 7 H GLU 7 -1.904 -6.149 -2.198 55 HA GLU 7 HA GLU 7 -3.000 -6.783 0.458 56 HB2 GLU 7 HB2 GLU 7 -2.524 -8.990 -0.449 57 HB3 GLU 7 HB3 GLU 7 -1.000 -8.446 -1.113 58 HG2 GLU 7 HG2 GLU 7 -0.635 -9.911 0.748 59 HG3 GLU 7 HG3 GLU 7 0.035 -8.320 1.048 60 H LYS 8 H LYS 8 -1.759 -5.908 2.150 61 HA LYS 8 HA LYS 8 0.145 -3.826 1.407 62 HB2 LYS 8 HB2 LYS 8 -0.954 -4.768 4.057 63 HB3 LYS 8 HB3 LYS 8 0.461 -3.700 3.983 64 HG2 LYS 8 HG2 LYS 8 -0.777 -2.131 2.519 65 HG3 LYS 8 HG3 LYS 8 -2.211 -3.169 2.646 66 HD2 LYS 8 HD2 LYS 8 -2.563 -1.381 4.149 67 HD3 LYS 8 HD3 LYS 8 -2.103 -2.753 5.182 68 HE2 LYS 8 HE2 LYS 8 0.265 -1.893 5.211 69 HE3 LYS 8 HE3 LYS 8 -0.233 -0.534 4.197 70 HZ1 LYS 8 HZ1 LYS 8 -0.172 0.078 6.542 71 HZ2 LYS 8 HZ2 LYS 8 -1.707 0.184 6.001 72 HZ3 LYS 8 HZ3 LYS 8 -1.248 -1.081 6.936 73 H ARG 9 H ARG 9 2.234 -3.633 1.780 74 HA ARG 9 HA ARG 9 3.956 -6.000 2.407 75 HB2 ARG 9 HB2 ARG 9 3.298 -4.896 -0.244 76 HB3 ARG 9 HB3 ARG 9 4.985 -4.647 0.105 77 HG2 ARG 9 HG2 ARG 9 4.655 -6.697 -1.126 78 HG3 ARG 9 HG3 ARG 9 5.326 -7.055 0.479 79 HD2 ARG 9 HD2 ARG 9 3.229 -7.846 1.287 80 HD3 ARG 9 HD3 ARG 9 2.340 -7.199 -0.112 81 HE ARG 9 HE ARG 9 3.943 -8.906 -1.387 82 HH11 ARG 9 HH11 ARG 9 2.925 -12.082 -0.586 83 HH12 ARG 9 HH12 ARG 9 3.753 -11.075 -1.742 84 HH21 ARG 9 HH21 ARG 9 2.143 -9.525 1.558 85 HH22 ARG 9 HH22 ARG 9 2.040 -11.237 1.233 86 H MET 10 H MET 10 6.287 -5.409 2.522 87 HA MET 10 HA MET 10 6.915 -2.583 2.938 88 HB2 MET 10 HB2 MET 10 5.833 -3.342 5.102 89 HB3 MET 10 HB3 MET 10 7.170 -4.493 5.292 90 HG2 MET 10 HG2 MET 10 8.761 -2.529 5.244 91 HG3 MET 10 HG3 MET 10 7.353 -1.461 5.128 92 HE1 MET 10 HE1 MET 10 8.744 -3.824 8.848 93 HE2 MET 10 HE2 MET 10 8.210 -4.679 7.387 94 HE3 MET 10 HE3 MET 10 9.646 -3.631 7.330 95 H PHE 11 H PHE 11 8.981 -2.110 2.625 96 HA PHE 11 HA PHE 11 10.912 -4.094 1.789 97 HB2 PHE 11 HB2 PHE 11 11.014 -1.099 2.122 98 HB3 PHE 11 HB3 PHE 11 12.430 -2.049 1.673 99 HD1 PHE 11 HD1 PHE 11 12.342 -3.541 -0.410 100 HD2 PHE 11 HD2 PHE 11 9.463 -0.438 0.415 101 HE1 PHE 11 HE1 PHE 11 11.707 -3.486 -2.812 102 HE2 PHE 11 HE2 PHE 11 8.843 -0.374 -1.988 103 HZ PHE 11 HZ PHE 11 9.960 -1.901 -3.603 104 H ALA 12 H ALA 12 13.097 -4.346 2.587 105 HA ALA 12 HA ALA 12 13.249 -4.991 5.347 106 HB1 ALA 12 HB1 ALA 12 15.470 -4.490 3.314 107 HB2 ALA 12 HB2 ALA 12 15.638 -5.367 4.850 108 HB3 ALA 12 HB3 ALA 12 14.610 -6.028 3.566 109 H ASN 13 H ASN 13 13.821 -1.919 3.768 110 HA ASN 13 HA ASN 13 15.222 -0.727 6.058 111 HB2 ASN 13 HB2 ASN 13 15.322 1.273 4.701 112 HB3 ASN 13 HB3 ASN 13 15.824 -0.137 3.760 113 HD21 ASN 13 HD21 ASN 13 15.481 1.099 1.874 114 H GLY 14 H GLY 14 12.005 -1.510 5.674 115 HA2 GLY 14 HA2 GLY 14 10.304 -1.021 7.182 116 HA3 GLY 14 HA3 GLY 14 11.160 0.426 7.739 117 H THR 15 H THR 15 10.743 0.164 4.268 118 HA THR 15 HA THR 15 8.747 2.364 4.283 119 HB THR 15 HB THR 15 10.368 1.064 2.059 120 HG1 THR 15 HG1 THR 15 11.691 2.176 3.240 121 HG21 THR 15 HG21 THR 15 9.764 3.045 0.713 122 HG22 THR 15 HG22 THR 15 8.372 2.017 1.056 123 HG23 THR 15 HG23 THR 15 8.597 3.530 1.972 124 H VAL 16 H VAL 16 6.620 2.026 3.869 125 HA VAL 16 HA VAL 16 5.687 -0.736 3.307 126 HB VAL 16 HB VAL 16 4.348 1.798 4.319 127 HG11 VAL 16 HG11 VAL 16 2.301 0.458 4.701 128 HG12 VAL 16 HG12 VAL 16 2.636 0.668 2.984 129 HG13 VAL 16 HG13 VAL 16 3.007 -0.883 3.774 130 HG21 VAL 16 HG21 VAL 16 4.006 0.457 6.358 131 HG22 VAL 16 HG22 VAL 16 4.787 -0.940 5.592 132 HG23 VAL 16 HG23 VAL 16 5.728 0.525 5.952 133 H TYR 17 H TYR 17 4.452 -1.306 1.607 134 HA TYR 17 HA TYR 17 3.556 0.639 -0.408 135 HB2 TYR 17 HB2 TYR 17 4.607 -0.405 -2.265 136 HB3 TYR 17 HB3 TYR 17 5.828 0.148 -1.124 137 HD1 TYR 17 HD1 TYR 17 7.042 -1.555 0.350 138 HD2 TYR 17 HD2 TYR 17 4.573 -2.650 -3.011 139 HE1 TYR 17 HE1 TYR 17 8.274 -3.709 0.138 140 HE2 TYR 17 HE2 TYR 17 5.793 -4.817 -3.203 141 HH TYR 17 HH TYR 17 8.526 -5.632 -1.050 142 H TYR 18 H TYR 18 2.438 -0.815 -2.257 143 HA TYR 18 HA TYR 18 0.872 -3.020 -1.003 144 HB2 TYR 18 HB2 TYR 18 -0.032 -0.997 -3.084 145 HB3 TYR 18 HB3 TYR 18 -0.956 -2.378 -2.496 146 HD1 TYR 18 HD1 TYR 18 -1.993 -2.423 -0.329 147 HD2 TYR 18 HD2 TYR 18 0.360 0.968 -1.586 148 HE1 TYR 18 HE1 TYR 18 -2.930 -1.087 1.525 149 HE2 TYR 18 HE2 TYR 18 -0.556 2.304 0.308 150 HH TYR 18 HH TYR 18 -3.007 0.967 2.544 151 H PHE 19 H PHE 19 0.495 -4.845 -2.146 152 HA PHE 19 HA PHE 19 1.772 -5.165 -4.802 153 HB2 PHE 19 HB2 PHE 19 3.393 -6.011 -3.392 154 HB3 PHE 19 HB3 PHE 19 2.195 -6.773 -2.337 155 HD1 PHE 19 HD1 PHE 19 3.933 -7.074 -5.599 156 HD2 PHE 19 HD2 PHE 19 1.320 -8.998 -2.749 157 HE1 PHE 19 HE1 PHE 19 4.294 -9.244 -6.731 158 HE2 PHE 19 HE2 PHE 19 1.732 -11.174 -3.856 159 HZ PHE 19 HZ PHE 19 3.202 -11.306 -5.859 160 H ASN 20 H ASN 20 0.740 -6.210 -6.361 161 HA ASN 20 HA ASN 20 -1.979 -7.237 -5.733 162 HB2 ASN 20 HB2 ASN 20 -1.646 -5.487 -7.477 163 HB3 ASN 20 HB3 ASN 20 -0.692 -6.648 -8.422 164 HD21 ASN 20 HD21 ASN 20 -3.356 -5.283 -8.942 165 HD22 ASN 20 HD22 ASN 20 -4.432 -6.635 -9.303 166 H HIS 21 H HIS 21 -1.927 -9.347 -5.112 167 HA HIS 21 HA HIS 21 0.251 -11.091 -5.939 168 HB2 HIS 21 HB2 HIS 21 -0.317 -12.406 -4.231 169 HB3 HIS 21 HB3 HIS 21 -1.166 -10.968 -3.674 170 HD2 HIS 21 HD2 HIS 21 -3.937 -10.973 -4.266 171 HE1 HIS 21 HE1 HIS 21 -4.233 -15.224 -4.386 172 HE2 HIS 21 HE2 HIS 21 -5.556 -13.055 -4.212 173 H ILE 22 H ILE 22 -2.708 -10.351 -7.461 174 HA ILE 22 HA ILE 22 -3.041 -12.899 -8.847 175 HB ILE 22 HB ILE 22 -4.193 -10.163 -9.509 176 HG12 ILE 22 HG12 ILE 22 -4.822 -10.687 -7.212 177 HG13 ILE 22 HG13 ILE 22 -6.209 -10.725 -8.302 178 HG21 ILE 22 HG21 ILE 22 -4.428 -11.650 -11.367 179 HG22 ILE 22 HG22 ILE 22 -5.033 -12.958 -10.329 180 HG23 ILE 22 HG23 ILE 22 -6.006 -11.490 -10.591 181 HD11 ILE 22 HD11 ILE 22 -6.195 -13.195 -8.273 182 HD12 ILE 22 HD12 ILE 22 -4.755 -13.183 -7.226 183 HD13 ILE 22 HD13 ILE 22 -6.296 -12.528 -6.636 184 H THR 23 H THR 23 -1.653 -9.697 -9.501 185 HA THR 23 HA THR 23 -0.768 -10.524 -12.215 186 HB THR 23 HB THR 23 -0.970 -8.308 -12.928 187 HG1 THR 23 HG1 THR 23 -1.705 -6.772 -11.217 188 HG21 THR 23 HG21 THR 23 -3.313 -8.575 -11.000 189 HG22 THR 23 HG22 THR 23 -3.247 -7.683 -12.532 190 HG23 THR 23 HG23 THR 23 -3.194 -9.455 -12.542 191 H ASN 24 H ASN 24 0.620 -9.908 -9.236 192 HA ASN 24 HA ASN 24 2.621 -9.542 -8.417 193 HB2 ASN 24 HB2 ASN 24 3.746 -10.247 -11.145 194 HB3 ASN 24 HB3 ASN 24 4.671 -10.116 -9.643 195 HD21 ASN 24 HD21 ASN 24 3.275 -12.360 -11.634 196 HD22 ASN 24 HD22 ASN 24 3.042 -13.630 -10.428 197 H ALA 25 H ALA 25 1.142 -7.302 -10.047 198 HA ALA 25 HA ALA 25 3.194 -5.285 -10.421 199 HB1 ALA 25 HB1 ALA 25 0.203 -4.994 -9.900 200 HB2 ALA 25 HB2 ALA 25 1.292 -3.739 -10.520 201 HB3 ALA 25 HB3 ALA 25 0.964 -5.182 -11.498 202 H SER 26 H SER 26 3.510 -3.365 -9.053 203 HA SER 26 HA SER 26 2.513 -3.412 -6.322 204 HB2 SER 26 HB2 SER 26 4.713 -3.334 -5.218 205 HB3 SER 26 HB3 SER 26 4.389 -4.891 -5.983 206 HG SER 26 HG SER 26 5.731 -4.304 -7.686 207 H GLN 27 H GLN 27 2.665 -1.508 -5.199 208 HA GLN 27 HA GLN 27 4.025 0.864 -6.203 209 HB2 GLN 27 HB2 GLN 27 2.098 2.115 -6.896 210 HB3 GLN 27 HB3 GLN 27 2.058 0.582 -7.773 211 HG2 GLN 27 HG2 GLN 27 0.364 -0.266 -6.116 212 HG3 GLN 27 HG3 GLN 27 0.348 1.330 -5.379 213 HE21 GLN 27 HE21 GLN 27 -1.566 2.277 -5.936 214 HE22 GLN 27 HE22 GLN 27 -2.237 2.279 -7.580 215 H PHE 28 H PHE 28 4.091 2.502 -4.541 216 HA PHE 28 HA PHE 28 2.749 1.814 -2.006 217 HB2 PHE 28 HB2 PHE 28 4.026 3.861 -1.116 218 HB3 PHE 28 HB3 PHE 28 4.808 2.305 -1.393 219 HD1 PHE 28 HD1 PHE 28 4.018 5.361 -3.467 220 HD2 PHE 28 HD2 PHE 28 6.896 2.385 -2.280 221 HE1 PHE 28 HE1 PHE 28 5.639 6.337 -5.054 222 HE2 PHE 28 HE2 PHE 28 8.576 3.400 -3.846 223 HZ PHE 28 HZ PHE 28 7.943 5.369 -5.237 224 H GLU 29 H GLU 29 1.974 3.827 -4.589 225 HA GLU 29 HA GLU 29 0.290 5.701 -3.177 226 HB2 GLU 29 HB2 GLU 29 1.141 6.097 -5.449 227 HB3 GLU 29 HB3 GLU 29 0.323 4.652 -6.030 228 HG2 GLU 29 HG2 GLU 29 -0.946 6.508 -6.749 229 HG3 GLU 29 HG3 GLU 29 -1.892 5.664 -5.533 230 H ARG 30 H ARG 30 -1.456 5.173 -2.012 231 HA ARG 30 HA ARG 30 -2.301 2.579 -1.650 232 HB2 ARG 30 HB2 ARG 30 -2.494 4.251 -0.001 233 HB3 ARG 30 HB3 ARG 30 -3.677 5.175 -0.923 234 HG2 ARG 30 HG2 ARG 30 -4.254 2.317 -0.062 235 HG3 ARG 30 HG3 ARG 30 -4.416 3.656 1.084 236 HD2 ARG 30 HD2 ARG 30 -6.372 4.337 0.243 237 HD3 ARG 30 HD3 ARG 30 -5.768 4.342 -1.400 238 HE ARG 30 HE ARG 30 -6.490 2.134 -1.758 239 HH11 ARG 30 HH11 ARG 30 -7.338 3.009 1.555 240 HH12 ARG 30 HH12 ARG 30 -8.625 1.826 1.577 241 HH21 ARG 30 HH21 ARG 30 -8.093 0.794 -1.649 242 HH22 ARG 30 HH22 ARG 30 -9.017 0.554 -0.158 243 HA PRO 31 HA PRO 31 -4.554 1.847 -5.342 244 HB2 PRO 31 HB2 PRO 31 -5.422 -0.725 -4.946 245 HB3 PRO 31 HB3 PRO 31 -3.716 -0.263 -5.228 246 HG2 PRO 31 HG2 PRO 31 -5.062 -0.757 -2.551 247 HG3 PRO 31 HG3 PRO 31 -3.521 -1.443 -3.164 248 HD2 PRO 31 HD2 PRO 31 -3.559 0.726 -1.559 249 HD3 PRO 31 HD3 PRO 31 -2.408 0.623 -2.928 250 H SER 32 H SER 32 -6.454 2.531 -6.063 251 HA SER 32 HA SER 32 -8.923 2.355 -4.431 252 HB2 SER 32 HB2 SER 32 -9.859 3.828 -6.166 253 HB3 SER 32 HB3 SER 32 -8.389 4.495 -5.435 254 HG SER 32 HG SER 32 -8.387 4.669 -7.723 255 H GLY 33 H GLY 33 -7.431 0.704 -7.106 256 HA2 GLY 33 HA2 GLY 33 -9.189 -1.483 -7.221 257 HA3 GLY 33 HA3 GLY 33 -9.766 -0.342 -8.435 258 H1B XYP 101 H1 XYP 34 12.688 1.947 1.276 259 H2B XYP 101 H2 XYP 34 15.319 2.536 -0.188 260 H3B XYP 101 H3 XYP 34 12.508 3.624 -0.715 261 H4B XYP 101 H4 XYP 34 14.152 1.676 -2.410 262 H5B1 XYP 101 H5E XYP 34 12.487 -0.034 -1.801 263 H5B2 XYP 101 H5A XYP 34 11.610 1.131 -0.790 264 HO2B XYP 101 H2O XYP 34 14.860 3.653 1.854 265 HO3B XYP 101 H3O XYP 34 14.360 4.986 -1.241 266 HO4B XYP 101 H4O XYP 34 12.661 3.210 -3.418 Start of MODEL 17 1 H1 LYS 1 H1 LYS 1 -12.518 -1.520 2.080 2 H2 LYS 1 H2 LYS 1 -12.510 -1.644 3.708 3 H3 LYS 1 H3 LYS 1 -11.801 -2.805 2.802 4 HA LYS 1 HA LYS 1 -10.937 0.006 3.008 5 HB2 LYS 1 HB2 LYS 1 -10.467 -1.237 5.076 6 HB3 LYS 1 HB3 LYS 1 -9.606 -2.475 4.161 7 HG2 LYS 1 HG2 LYS 1 -7.960 -0.674 3.410 8 HG3 LYS 1 HG3 LYS 1 -8.842 0.468 4.427 9 HD2 LYS 1 HD2 LYS 1 -6.928 -0.234 5.657 10 HD3 LYS 1 HD3 LYS 1 -8.320 -1.024 6.413 11 HE2 LYS 1 HE2 LYS 1 -7.791 -3.111 5.116 12 HE3 LYS 1 HE3 LYS 1 -6.397 -2.292 4.396 13 HZ1 LYS 1 HZ1 LYS 1 -5.476 -2.063 6.648 14 HZ2 LYS 1 HZ2 LYS 1 -6.766 -2.825 7.298 15 HZ3 LYS 1 HZ3 LYS 1 -5.752 -3.637 6.313 16 H LEU 2 H LEU 2 -9.383 -3.122 2.056 17 HA LEU 2 HA LEU 2 -8.001 -1.697 -0.083 18 HB2 LEU 2 HB2 LEU 2 -6.986 -3.161 1.764 19 HB3 LEU 2 HB3 LEU 2 -7.615 -4.546 0.855 20 HG LEU 2 HG LEU 2 -6.226 -3.668 -1.115 21 HD11 LEU 2 HD11 LEU 2 -4.337 -2.170 -0.509 22 HD12 LEU 2 HD12 LEU 2 -5.880 -1.333 -0.304 23 HD13 LEU 2 HD13 LEU 2 -5.024 -1.958 1.119 24 HD21 LEU 2 HD21 LEU 2 -5.509 -5.540 0.307 25 HD22 LEU 2 HD22 LEU 2 -4.113 -4.549 -0.176 26 HD23 LEU 2 HD23 LEU 2 -4.794 -4.405 1.467 27 HA PRO 3 HA PRO 3 -10.633 -3.531 -3.202 28 HB2 PRO 3 HB2 PRO 3 -8.418 -3.314 -5.176 29 HB3 PRO 3 HB3 PRO 3 -10.038 -2.565 -5.204 30 HG2 PRO 3 HG2 PRO 3 -7.769 -1.126 -4.663 31 HG3 PRO 3 HG3 PRO 3 -9.342 -0.767 -3.879 32 HD2 PRO 3 HD2 PRO 3 -7.001 -2.328 -2.735 33 HD3 PRO 3 HD3 PRO 3 -8.032 -1.069 -1.998 34 HA PRO 4 HA PRO 4 -9.702 -7.859 -3.713 35 HB2 PRO 4 HB2 PRO 4 -10.513 -7.567 -6.608 36 HB3 PRO 4 HB3 PRO 4 -11.017 -8.805 -5.411 37 HG2 PRO 4 HG2 PRO 4 -12.670 -6.747 -5.997 38 HG3 PRO 4 HG3 PRO 4 -12.435 -7.235 -4.284 39 HD2 PRO 4 HD2 PRO 4 -11.116 -4.953 -5.784 40 HD3 PRO 4 HD3 PRO 4 -11.869 -4.961 -4.157 41 H GLY 5 H GLY 5 -7.994 -9.159 -4.215 42 HA2 GLY 5 HA2 GLY 5 -6.115 -9.994 -5.242 43 HA3 GLY 5 HA3 GLY 5 -6.260 -8.763 -6.510 44 H TRP 6 H TRP 6 -6.188 -6.724 -4.038 45 HA TRP 6 HA TRP 6 -3.261 -6.427 -4.055 46 HB2 TRP 6 HB2 TRP 6 -5.467 -4.711 -2.936 47 HB3 TRP 6 HB3 TRP 6 -3.758 -4.357 -2.732 48 HD1 TRP 6 HD1 TRP 6 -6.512 -4.337 -5.294 49 HE1 TRP 6 HE1 TRP 6 -5.793 -3.072 -7.415 50 HE3 TRP 6 HE3 TRP 6 -1.545 -3.839 -4.235 51 HZ2 TRP 6 HZ2 TRP 6 -3.287 -2.292 -8.644 52 HZ3 TRP 6 HZ3 TRP 6 0.018 -2.857 -5.947 53 HH2 TRP 6 HH2 TRP 6 -0.846 -2.129 -8.142 54 H GLU 7 H GLU 7 -1.918 -6.282 -2.294 55 HA GLU 7 HA GLU 7 -2.855 -6.952 0.413 56 HB2 GLU 7 HB2 GLU 7 -2.366 -9.134 -0.467 57 HB3 GLU 7 HB3 GLU 7 -0.913 -8.564 -1.263 58 HG2 GLU 7 HG2 GLU 7 -0.371 -9.994 0.588 59 HG3 GLU 7 HG3 GLU 7 0.289 -8.387 0.803 60 H LYS 8 H LYS 8 -1.520 -6.132 2.046 61 HA LYS 8 HA LYS 8 0.241 -3.916 1.262 62 HB2 LYS 8 HB2 LYS 8 -0.726 -4.950 3.932 63 HB3 LYS 8 HB3 LYS 8 0.628 -3.808 3.824 64 HG2 LYS 8 HG2 LYS 8 -0.733 -2.261 2.473 65 HG3 LYS 8 HG3 LYS 8 -2.105 -3.380 2.571 66 HD2 LYS 8 HD2 LYS 8 -2.526 -1.682 4.172 67 HD3 LYS 8 HD3 LYS 8 -1.990 -3.083 5.119 68 HE2 LYS 8 HE2 LYS 8 0.328 -2.107 5.175 69 HE3 LYS 8 HE3 LYS 8 -0.253 -0.721 4.241 70 HZ1 LYS 8 HZ1 LYS 8 -1.215 -1.475 6.951 71 HZ2 LYS 8 HZ2 LYS 8 -0.204 -0.239 6.621 72 HZ3 LYS 8 HZ3 LYS 8 -1.746 -0.187 6.091 73 H ARG 9 H ARG 9 2.334 -3.651 1.600 74 HA ARG 9 HA ARG 9 4.131 -5.994 2.102 75 HB2 ARG 9 HB2 ARG 9 3.406 -4.813 -0.479 76 HB3 ARG 9 HB3 ARG 9 5.071 -4.436 -0.133 77 HG2 ARG 9 HG2 ARG 9 4.906 -6.449 -1.448 78 HG3 ARG 9 HG3 ARG 9 5.607 -6.833 0.137 79 HD2 ARG 9 HD2 ARG 9 3.595 -7.876 0.889 80 HD3 ARG 9 HD3 ARG 9 2.634 -7.156 -0.410 81 HE ARG 9 HE ARG 9 3.738 -8.604 -2.028 82 HH11 ARG 9 HH11 ARG 9 4.104 -9.700 1.292 83 HH12 ARG 9 HH12 ARG 9 4.371 -11.348 0.787 84 HH21 ARG 9 HH21 ARG 9 4.096 -10.687 -2.573 85 HH22 ARG 9 HH22 ARG 9 4.368 -11.883 -1.336 86 H MET 10 H MET 10 6.432 -5.350 2.302 87 HA MET 10 HA MET 10 6.965 -2.535 2.902 88 HB2 MET 10 HB2 MET 10 5.842 -3.463 4.976 89 HB3 MET 10 HB3 MET 10 7.211 -4.584 5.136 90 HG2 MET 10 HG2 MET 10 8.736 -2.575 5.269 91 HG3 MET 10 HG3 MET 10 7.301 -1.543 5.171 92 HE1 MET 10 HE1 MET 10 9.589 -3.779 7.311 93 HE2 MET 10 HE2 MET 10 8.641 -4.099 8.780 94 HE3 MET 10 HE3 MET 10 8.187 -4.874 7.248 95 H PHE 11 H PHE 11 9.023 -1.980 2.679 96 HA PHE 11 HA PHE 11 11.044 -3.856 1.802 97 HB2 PHE 11 HB2 PHE 11 11.043 -0.884 2.310 98 HB3 PHE 11 HB3 PHE 11 12.503 -1.767 1.862 99 HD1 PHE 11 HD1 PHE 11 12.558 -3.118 -0.305 100 HD2 PHE 11 HD2 PHE 11 9.508 -0.202 0.590 101 HE1 PHE 11 HE1 PHE 11 12.002 -2.950 -2.722 102 HE2 PHE 11 HE2 PHE 11 8.965 -0.028 -1.825 103 HZ PHE 11 HZ PHE 11 10.208 -1.404 -3.484 104 H ALA 12 H ALA 12 13.206 -4.095 2.669 105 HA ALA 12 HA ALA 12 13.263 -4.918 5.384 106 HB1 ALA 12 HB1 ALA 12 15.553 -4.221 3.490 107 HB2 ALA 12 HB2 ALA 12 15.680 -5.197 4.969 108 HB3 ALA 12 HB3 ALA 12 14.727 -5.795 3.599 109 H ASN 13 H ASN 13 13.809 -1.731 4.041 110 HA ASN 13 HA ASN 13 15.077 -0.657 6.463 111 HB2 ASN 13 HB2 ASN 13 15.158 1.435 5.245 112 HB3 ASN 13 HB3 ASN 13 15.753 0.107 4.240 113 HD21 ASN 13 HD21 ASN 13 15.443 1.445 2.419 114 H GLY 14 H GLY 14 11.905 -1.506 5.889 115 HA2 GLY 14 HA2 GLY 14 10.137 -1.177 7.366 116 HA3 GLY 14 HA3 GLY 14 10.915 0.263 8.039 117 H THR 15 H THR 15 10.639 0.207 4.547 118 HA THR 15 HA THR 15 8.580 2.343 4.628 119 HB THR 15 HB THR 15 10.319 1.250 2.383 120 HG1 THR 15 HG1 THR 15 11.573 2.295 3.697 121 HG21 THR 15 HG21 THR 15 8.337 2.234 1.394 122 HG22 THR 15 HG22 THR 15 8.499 3.681 2.424 123 HG23 THR 15 HG23 THR 15 9.717 3.314 1.175 124 H VAL 16 H VAL 16 6.483 1.978 4.137 125 HA VAL 16 HA VAL 16 5.635 -0.747 3.360 126 HB VAL 16 HB VAL 16 4.179 1.673 4.482 127 HG11 VAL 16 HG11 VAL 16 2.548 0.461 3.121 128 HG12 VAL 16 HG12 VAL 16 3.027 -1.079 3.874 129 HG13 VAL 16 HG13 VAL 16 2.232 0.188 4.831 130 HG21 VAL 16 HG21 VAL 16 5.644 0.471 6.089 131 HG22 VAL 16 HG22 VAL 16 3.935 0.263 6.488 132 HG23 VAL 16 HG23 VAL 16 4.820 -1.052 5.691 133 H TYR 17 H TYR 17 4.397 -1.240 1.620 134 HA TYR 17 HA TYR 17 3.408 0.763 -0.281 135 HB2 TYR 17 HB2 TYR 17 4.674 -0.003 -2.168 136 HB3 TYR 17 HB3 TYR 17 5.809 0.482 -0.919 137 HD1 TYR 17 HD1 TYR 17 7.070 -1.291 0.390 138 HD2 TYR 17 HD2 TYR 17 4.697 -2.199 -3.100 139 HE1 TYR 17 HE1 TYR 17 8.351 -3.401 0.057 140 HE2 TYR 17 HE2 TYR 17 5.950 -4.330 -3.401 141 HH TYR 17 HH TYR 17 8.664 -5.235 -1.254 142 H TYR 18 H TYR 18 2.680 -0.778 -2.339 143 HA TYR 18 HA TYR 18 1.005 -2.951 -1.175 144 HB2 TYR 18 HB2 TYR 18 0.243 -0.788 -3.155 145 HB3 TYR 18 HB3 TYR 18 -0.760 -2.177 -2.723 146 HD1 TYR 18 HD1 TYR 18 0.664 1.009 -1.507 147 HD2 TYR 18 HD2 TYR 18 -1.855 -2.365 -0.566 148 HE1 TYR 18 HE1 TYR 18 -0.237 2.239 0.458 149 HE2 TYR 18 HE2 TYR 18 -2.777 -1.135 1.374 150 HH TYR 18 HH TYR 18 -2.771 0.821 2.562 151 H PHE 19 H PHE 19 0.487 -4.716 -2.344 152 HA PHE 19 HA PHE 19 1.734 -5.090 -5.002 153 HB2 PHE 19 HB2 PHE 19 3.393 -5.898 -3.589 154 HB3 PHE 19 HB3 PHE 19 2.208 -6.669 -2.526 155 HD1 PHE 19 HD1 PHE 19 4.023 -6.989 -5.724 156 HD2 PHE 19 HD2 PHE 19 1.287 -8.889 -2.975 157 HE1 PHE 19 HE1 PHE 19 4.406 -9.168 -6.842 158 HE2 PHE 19 HE2 PHE 19 1.721 -11.070 -4.061 159 HZ PHE 19 HZ PHE 19 3.264 -11.218 -6.007 160 H ASN 20 H ASN 20 0.693 -6.254 -6.494 161 HA ASN 20 HA ASN 20 -2.016 -7.255 -5.762 162 HB2 ASN 20 HB2 ASN 20 -1.748 -5.556 -7.566 163 HB3 ASN 20 HB3 ASN 20 -0.801 -6.733 -8.499 164 HD21 ASN 20 HD21 ASN 20 -4.635 -6.794 -9.142 165 HD22 ASN 20 HD22 ASN 20 -3.636 -5.398 -8.731 166 H HIS 21 H HIS 21 -2.036 -9.366 -5.177 167 HA HIS 21 HA HIS 21 0.169 -11.121 -5.960 168 HB2 HIS 21 HB2 HIS 21 -0.366 -12.383 -4.208 169 HB3 HIS 21 HB3 HIS 21 -1.225 -10.941 -3.678 170 HD2 HIS 21 HD2 HIS 21 -4.002 -10.986 -4.252 171 HE1 HIS 21 HE1 HIS 21 -4.258 -15.241 -4.241 172 HE2 HIS 21 HE2 HIS 21 -5.600 -13.081 -4.122 173 H ILE 22 H ILE 22 -2.804 -10.401 -7.463 174 HA ILE 22 HA ILE 22 -3.147 -12.976 -8.807 175 HB ILE 22 HB ILE 22 -4.307 -10.257 -9.525 176 HG12 ILE 22 HG12 ILE 22 -4.920 -10.682 -7.207 177 HG13 ILE 22 HG13 ILE 22 -6.315 -10.776 -8.284 178 HG21 ILE 22 HG21 ILE 22 -4.550 -11.813 -11.323 179 HG22 ILE 22 HG22 ILE 22 -5.159 -13.077 -10.234 180 HG23 ILE 22 HG23 ILE 22 -6.125 -11.615 -10.548 181 HD11 ILE 22 HD11 ILE 22 -6.376 -12.505 -6.538 182 HD12 ILE 22 HD12 ILE 22 -6.290 -13.240 -8.148 183 HD13 ILE 22 HD13 ILE 22 -4.839 -13.179 -7.119 184 H THR 23 H THR 23 -1.791 -9.768 -9.517 185 HA THR 23 HA THR 23 -0.910 -10.639 -12.214 186 HB THR 23 HB THR 23 -1.116 -8.440 -12.967 187 HG1 THR 23 HG1 THR 23 -1.843 -6.871 -11.284 188 HG21 THR 23 HG21 THR 23 -3.445 -8.666 -11.020 189 HG22 THR 23 HG22 THR 23 -3.389 -7.809 -12.571 190 HG23 THR 23 HG23 THR 23 -3.337 -9.580 -12.543 191 H ASN 24 H ASN 24 0.508 -9.980 -9.259 192 HA ASN 24 HA ASN 24 2.521 -9.600 -8.466 193 HB2 ASN 24 HB2 ASN 24 3.625 -10.322 -11.199 194 HB3 ASN 24 HB3 ASN 24 4.551 -10.198 -9.697 195 HD21 ASN 24 HD21 ASN 24 3.145 -12.430 -11.693 196 HD22 ASN 24 HD22 ASN 24 2.905 -13.703 -10.492 197 H ALA 25 H ALA 25 1.010 -7.384 -10.084 198 HA ALA 25 HA ALA 25 3.052 -5.375 -10.552 199 HB1 ALA 25 HB1 ALA 25 0.072 -5.074 -9.979 200 HB2 ALA 25 HB2 ALA 25 1.145 -3.838 -10.663 201 HB3 ALA 25 HB3 ALA 25 0.799 -5.312 -11.587 202 H SER 26 H SER 26 3.291 -3.371 -9.260 203 HA SER 26 HA SER 26 2.444 -3.401 -6.467 204 HB2 SER 26 HB2 SER 26 4.733 -3.133 -5.540 205 HB3 SER 26 HB3 SER 26 4.428 -4.734 -6.214 206 HG SER 26 HG SER 26 5.831 -2.613 -7.506 207 H GLN 27 H GLN 27 2.642 -1.435 -5.361 208 HA GLN 27 HA GLN 27 3.698 0.942 -6.710 209 HB2 GLN 27 HB2 GLN 27 1.580 2.108 -6.903 210 HB3 GLN 27 HB3 GLN 27 1.543 0.609 -7.844 211 HG2 GLN 27 HG2 GLN 27 0.201 -0.483 -6.086 212 HG3 GLN 27 HG3 GLN 27 0.223 0.998 -5.139 213 HE21 GLN 27 HE21 GLN 27 -1.407 2.480 -5.543 214 HE22 GLN 27 HE22 GLN 27 -2.452 2.440 -6.976 215 H PHE 28 H PHE 28 3.904 2.757 -5.347 216 HA PHE 28 HA PHE 28 3.776 2.164 -2.478 217 HB2 PHE 28 HB2 PHE 28 5.814 3.021 -3.020 218 HB3 PHE 28 HB3 PHE 28 5.144 4.253 -4.095 219 HD1 PHE 28 HD1 PHE 28 4.243 6.366 -3.261 220 HD2 PHE 28 HD2 PHE 28 5.874 3.413 -0.570 221 HE1 PHE 28 HE1 PHE 28 4.292 8.052 -1.443 222 HE2 PHE 28 HE2 PHE 28 5.940 5.107 1.245 223 HZ PHE 28 HZ PHE 28 5.148 7.430 0.814 224 H GLU 29 H GLU 29 2.178 4.568 -4.524 225 HA GLU 29 HA GLU 29 0.561 5.634 -2.352 226 HB2 GLU 29 HB2 GLU 29 0.935 7.028 -4.254 227 HB3 GLU 29 HB3 GLU 29 0.472 5.752 -5.374 228 HG2 GLU 29 HG2 GLU 29 -1.207 7.444 -5.348 229 HG3 GLU 29 HG3 GLU 29 -1.872 5.939 -4.741 230 H ARG 30 H ARG 30 -1.483 4.945 -1.655 231 HA ARG 30 HA ARG 30 -1.824 2.156 -1.950 232 HB2 ARG 30 HB2 ARG 30 -3.549 2.242 -0.367 233 HB3 ARG 30 HB3 ARG 30 -2.365 3.431 0.100 234 HG2 ARG 30 HG2 ARG 30 -3.782 5.128 -0.023 235 HG3 ARG 30 HG3 ARG 30 -4.523 4.621 -1.555 236 HD2 ARG 30 HD2 ARG 30 -5.122 3.429 1.177 237 HD3 ARG 30 HD3 ARG 30 -6.130 4.609 0.327 238 HE ARG 30 HE ARG 30 -5.850 2.399 -1.452 239 HH11 ARG 30 HH11 ARG 30 -8.671 0.727 -0.415 240 HH12 ARG 30 HH12 ARG 30 -7.605 1.148 -1.765 241 HH21 ARG 30 HH21 ARG 30 -7.205 2.864 1.783 242 HH22 ARG 30 HH22 ARG 30 -8.485 1.712 1.466 243 HA PRO 31 HA PRO 31 -4.328 1.508 -5.409 244 HB2 PRO 31 HB2 PRO 31 -5.478 -0.912 -4.915 245 HB3 PRO 31 HB3 PRO 31 -3.713 -0.642 -5.065 246 HG2 PRO 31 HG2 PRO 31 -5.256 -0.764 -2.465 247 HG3 PRO 31 HG3 PRO 31 -3.843 -1.760 -2.963 248 HD2 PRO 31 HD2 PRO 31 -3.515 0.480 -1.538 249 HD3 PRO 31 HD3 PRO 31 -2.403 0.110 -2.894 250 H SER 32 H SER 32 -6.432 1.379 -6.331 251 HA SER 32 HA SER 32 -8.823 1.462 -4.611 252 HB2 SER 32 HB2 SER 32 -7.950 3.825 -6.290 253 HB3 SER 32 HB3 SER 32 -9.639 3.580 -5.805 254 HG SER 32 HG SER 32 -7.634 3.379 -3.861 255 H GLY 33 H GLY 33 -7.561 -0.157 -6.948 256 HA2 GLY 33 HA2 GLY 33 -9.817 -1.361 -7.972 257 HA3 GLY 33 HA3 GLY 33 -9.479 -0.070 -9.128 258 H1B XYP 101 H1 XYP 34 12.655 2.256 1.764 259 H2B XYP 101 H2 XYP 34 15.320 2.971 0.425 260 H3B XYP 101 H3 XYP 34 12.506 4.034 -0.144 261 H4B XYP 101 H4 XYP 34 14.245 2.208 -1.879 262 H5B1 XYP 101 H5E XYP 34 12.593 0.440 -1.419 263 H5B2 XYP 101 H5A XYP 34 11.661 1.534 -0.378 264 HO2B XYP 101 H2O XYP 34 14.769 3.970 2.504 265 HO3B XYP 101 H3O XYP 34 14.348 5.456 -0.533 266 HO4B XYP 101 H4O XYP 34 12.760 3.766 -2.859 Start of MODEL 18 1 H1 LYS 1 H1 LYS 1 -12.421 -2.684 4.132 2 H2 LYS 1 H2 LYS 1 -11.811 -3.617 2.933 3 H3 LYS 1 H3 LYS 1 -12.511 -2.176 2.582 4 HA LYS 1 HA LYS 1 -10.819 -0.962 3.738 5 HB2 LYS 1 HB2 LYS 1 -10.263 -2.589 5.450 6 HB3 LYS 1 HB3 LYS 1 -9.612 -3.702 4.247 7 HG2 LYS 1 HG2 LYS 1 -7.841 -1.964 3.688 8 HG3 LYS 1 HG3 LYS 1 -8.467 -0.975 5.015 9 HD2 LYS 1 HD2 LYS 1 -7.879 -2.711 6.628 10 HD3 LYS 1 HD3 LYS 1 -7.463 -3.845 5.322 11 HE2 LYS 1 HE2 LYS 1 -5.650 -2.335 4.560 12 HE3 LYS 1 HE3 LYS 1 -6.053 -1.195 5.855 13 HZ1 LYS 1 HZ1 LYS 1 -5.520 -2.944 7.473 14 HZ2 LYS 1 HZ2 LYS 1 -5.124 -3.987 6.280 15 HZ3 LYS 1 HZ3 LYS 1 -4.227 -2.642 6.528 16 H LEU 2 H LEU 2 -9.303 -3.769 2.082 17 HA LEU 2 HA LEU 2 -8.095 -1.876 0.181 18 HB2 LEU 2 HB2 LEU 2 -6.814 -3.280 1.851 19 HB3 LEU 2 HB3 LEU 2 -7.318 -4.707 0.933 20 HG LEU 2 HG LEU 2 -6.061 -3.757 -1.044 21 HD11 LEU 2 HD11 LEU 2 -6.001 -1.356 -0.387 22 HD12 LEU 2 HD12 LEU 2 -5.069 -1.776 1.074 23 HD13 LEU 2 HD13 LEU 2 -4.370 -1.994 -0.554 24 HD21 LEU 2 HD21 LEU 2 -3.853 -4.320 -0.123 25 HD22 LEU 2 HD22 LEU 2 -4.472 -4.104 1.536 26 HD23 LEU 2 HD23 LEU 2 -5.092 -5.418 0.524 27 HA PRO 3 HA PRO 3 -10.523 -3.574 -3.098 28 HB2 PRO 3 HB2 PRO 3 -8.311 -3.143 -5.048 29 HB3 PRO 3 HB3 PRO 3 -9.964 -2.464 -5.035 30 HG2 PRO 3 HG2 PRO 3 -7.770 -0.968 -4.381 31 HG3 PRO 3 HG3 PRO 3 -9.344 -0.748 -3.547 32 HD2 PRO 3 HD2 PRO 3 -6.925 -2.309 -2.590 33 HD3 PRO 3 HD3 PRO 3 -7.979 -1.160 -1.716 34 HA PRO 4 HA PRO 4 -9.603 -7.815 -3.969 35 HB2 PRO 4 HB2 PRO 4 -10.315 -7.300 -6.860 36 HB3 PRO 4 HB3 PRO 4 -10.858 -8.626 -5.782 37 HG2 PRO 4 HG2 PRO 4 -12.489 -6.520 -6.251 38 HG3 PRO 4 HG3 PRO 4 -12.304 -7.141 -4.574 39 HD2 PRO 4 HD2 PRO 4 -10.944 -4.753 -5.854 40 HD3 PRO 4 HD3 PRO 4 -11.733 -4.888 -4.251 41 H GLY 5 H GLY 5 -7.889 -9.070 -4.467 42 HA2 GLY 5 HA2 GLY 5 -5.939 -9.849 -5.393 43 HA3 GLY 5 HA3 GLY 5 -6.029 -8.597 -6.648 44 H TRP 6 H TRP 6 -6.085 -6.453 -4.389 45 HA TRP 6 HA TRP 6 -3.191 -6.197 -4.131 46 HB2 TRP 6 HB2 TRP 6 -5.457 -4.464 -3.155 47 HB3 TRP 6 HB3 TRP 6 -3.760 -4.121 -2.849 48 HD1 TRP 6 HD1 TRP 6 -6.377 -3.982 -5.534 49 HE1 TRP 6 HE1 TRP 6 -5.475 -2.870 -7.667 50 HE3 TRP 6 HE3 TRP 6 -1.432 -3.816 -4.290 51 HZ2 TRP 6 HZ2 TRP 6 -2.894 -2.150 -8.754 52 HZ3 TRP 6 HZ3 TRP 6 0.250 -2.933 -5.921 53 HH2 TRP 6 HH2 TRP 6 -0.471 -2.129 -8.147 54 H GLU 7 H GLU 7 -1.908 -6.305 -2.414 55 HA GLU 7 HA GLU 7 -2.938 -6.779 0.312 56 HB2 GLU 7 HB2 GLU 7 -1.118 -8.601 -1.295 57 HB3 GLU 7 HB3 GLU 7 -0.930 -8.485 0.454 58 HG2 GLU 7 HG2 GLU 7 -3.455 -9.345 -1.008 59 HG3 GLU 7 HG3 GLU 7 -2.286 -10.404 -0.240 60 H LYS 8 H LYS 8 -1.533 -6.107 1.963 61 HA LYS 8 HA LYS 8 0.276 -3.936 1.202 62 HB2 LYS 8 HB2 LYS 8 -0.783 -4.935 3.845 63 HB3 LYS 8 HB3 LYS 8 0.617 -3.850 3.781 64 HG2 LYS 8 HG2 LYS 8 -0.640 -2.256 2.379 65 HG3 LYS 8 HG3 LYS 8 -2.067 -3.308 2.460 66 HD2 LYS 8 HD2 LYS 8 -2.434 -1.577 4.036 67 HD3 LYS 8 HD3 LYS 8 -1.975 -2.991 5.009 68 HE2 LYS 8 HE2 LYS 8 0.380 -2.133 5.092 69 HE3 LYS 8 HE3 LYS 8 -0.105 -0.734 4.127 70 HZ1 LYS 8 HZ1 LYS 8 -0.062 -0.203 6.488 71 HZ2 LYS 8 HZ2 LYS 8 -1.596 -0.088 5.951 72 HZ3 LYS 8 HZ3 LYS 8 -1.129 -1.382 6.842 73 H ARG 9 H ARG 9 2.372 -3.677 1.555 74 HA ARG 9 HA ARG 9 4.100 -5.936 2.461 75 HB2 ARG 9 HB2 ARG 9 4.462 -4.352 -0.114 76 HB3 ARG 9 HB3 ARG 9 5.671 -5.453 0.550 77 HG2 ARG 9 HG2 ARG 9 2.933 -6.227 -0.399 78 HG3 ARG 9 HG3 ARG 9 4.440 -6.443 -1.310 79 HD2 ARG 9 HD2 ARG 9 5.310 -7.962 0.397 80 HD3 ARG 9 HD3 ARG 9 3.849 -7.770 1.377 81 HE ARG 9 HE ARG 9 4.126 -9.250 -1.184 82 HH11 ARG 9 HH11 ARG 9 2.781 -10.964 -1.476 83 HH12 ARG 9 HH12 ARG 9 1.381 -11.167 -0.461 84 HH21 ARG 9 HH21 ARG 9 1.906 -8.335 1.401 85 HH22 ARG 9 HH22 ARG 9 0.941 -9.769 1.158 86 H MET 10 H MET 10 6.350 -5.275 2.570 87 HA MET 10 HA MET 10 6.947 -2.484 3.144 88 HB2 MET 10 HB2 MET 10 5.807 -3.243 5.251 89 HB3 MET 10 HB3 MET 10 7.089 -4.455 5.456 90 HG2 MET 10 HG2 MET 10 8.747 -2.521 5.443 91 HG3 MET 10 HG3 MET 10 7.359 -1.424 5.506 92 HE1 MET 10 HE1 MET 10 5.878 -1.032 7.691 93 HE2 MET 10 HE2 MET 10 5.321 -2.712 7.501 94 HE3 MET 10 HE3 MET 10 5.892 -2.135 9.079 95 H PHE 11 H PHE 11 9.019 -2.023 2.820 96 HA PHE 11 HA PHE 11 10.987 -4.006 2.065 97 HB2 PHE 11 HB2 PHE 11 11.036 -1.011 2.374 98 HB3 PHE 11 HB3 PHE 11 12.498 -1.934 2.025 99 HD1 PHE 11 HD1 PHE 11 12.563 -3.446 -0.048 100 HD2 PHE 11 HD2 PHE 11 9.597 -0.377 0.577 101 HE1 PHE 11 HE1 PHE 11 12.091 -3.400 -2.488 102 HE2 PHE 11 HE2 PHE 11 9.138 -0.325 -1.863 103 HZ PHE 11 HZ PHE 11 10.381 -1.837 -3.397 104 H ALA 12 H ALA 12 13.137 -4.266 2.947 105 HA ALA 12 HA ALA 12 13.202 -4.844 5.729 106 HB1 ALA 12 HB1 ALA 12 15.485 -4.406 3.751 107 HB2 ALA 12 HB2 ALA 12 15.602 -5.241 5.315 108 HB3 ALA 12 HB3 ALA 12 14.609 -5.933 4.019 109 H ASN 13 H ASN 13 13.784 -1.814 4.101 110 HA ASN 13 HA ASN 13 15.167 -0.542 6.354 111 HB2 ASN 13 HB2 ASN 13 15.204 1.424 4.942 112 HB3 ASN 13 HB3 ASN 13 15.710 0.005 4.012 113 HD21 ASN 13 HD21 ASN 13 15.263 1.510 2.213 114 H GLY 14 H GLY 14 11.939 -1.374 5.955 115 HA2 GLY 14 HA2 GLY 14 10.219 -0.886 7.452 116 HA3 GLY 14 HA3 GLY 14 11.044 0.589 7.981 117 H THR 15 H THR 15 10.705 0.278 4.518 118 HA THR 15 HA THR 15 8.676 2.449 4.457 119 HB THR 15 HB THR 15 10.367 1.145 2.296 120 HG1 THR 15 HG1 THR 15 11.584 2.259 3.662 121 HG21 THR 15 HG21 THR 15 9.832 3.068 0.897 122 HG22 THR 15 HG22 THR 15 8.397 2.113 1.253 123 HG23 THR 15 HG23 THR 15 8.667 3.650 2.120 124 H VAL 16 H VAL 16 6.577 2.132 3.852 125 HA VAL 16 HA VAL 16 5.652 -0.639 3.354 126 HB VAL 16 HB VAL 16 4.260 1.954 4.117 127 HG11 VAL 16 HG11 VAL 16 2.991 -0.790 3.748 128 HG12 VAL 16 HG12 VAL 16 2.222 0.614 4.520 129 HG13 VAL 16 HG13 VAL 16 2.632 0.680 2.809 130 HG21 VAL 16 HG21 VAL 16 3.856 0.779 6.249 131 HG22 VAL 16 HG22 VAL 16 4.706 -0.654 5.631 132 HG23 VAL 16 HG23 VAL 16 5.587 0.865 5.913 133 H TYR 17 H TYR 17 4.444 -1.275 1.608 134 HA TYR 17 HA TYR 17 3.629 0.594 -0.492 135 HB2 TYR 17 HB2 TYR 17 4.826 -0.448 -2.302 136 HB3 TYR 17 HB3 TYR 17 5.972 0.142 -1.110 137 HD1 TYR 17 HD1 TYR 17 7.219 -1.475 0.361 138 HD2 TYR 17 HD2 TYR 17 4.714 -2.805 -2.901 139 HE1 TYR 17 HE1 TYR 17 8.484 -3.615 0.246 140 HE2 TYR 17 HE2 TYR 17 5.992 -4.928 -3.018 141 HH TYR 17 HH TYR 17 8.773 -5.582 -0.865 142 H TYR 18 H TYR 18 2.768 -0.899 -2.414 143 HA TYR 18 HA TYR 18 1.021 -3.004 -1.243 144 HB2 TYR 18 HB2 TYR 18 0.320 -0.799 -3.202 145 HB3 TYR 18 HB3 TYR 18 -0.722 -2.168 -2.795 146 HD1 TYR 18 HD1 TYR 18 0.788 0.959 -1.504 147 HD2 TYR 18 HD2 TYR 18 -1.859 -2.344 -0.669 148 HE1 TYR 18 HE1 TYR 18 -0.041 2.141 0.521 149 HE2 TYR 18 HE2 TYR 18 -2.735 -1.137 1.303 150 HH TYR 18 HH TYR 18 -2.514 0.693 2.668 151 H PHE 19 H PHE 19 0.539 -4.788 -2.384 152 HA PHE 19 HA PHE 19 1.784 -5.178 -5.048 153 HB2 PHE 19 HB2 PHE 19 3.422 -5.991 -3.574 154 HB3 PHE 19 HB3 PHE 19 2.205 -6.806 -2.575 155 HD1 PHE 19 HD1 PHE 19 3.932 -6.930 -5.864 156 HD2 PHE 19 HD2 PHE 19 1.494 -9.058 -3.011 157 HE1 PHE 19 HE1 PHE 19 4.345 -9.043 -7.089 158 HE2 PHE 19 HE2 PHE 19 1.983 -11.184 -4.190 159 HZ PHE 19 HZ PHE 19 3.386 -11.183 -6.245 160 H ASN 20 H ASN 20 0.643 -6.224 -6.537 161 HA ASN 20 HA ASN 20 -2.010 -7.297 -5.743 162 HB2 ASN 20 HB2 ASN 20 -1.826 -5.599 -7.550 163 HB3 ASN 20 HB3 ASN 20 -0.873 -6.751 -8.505 164 HD21 ASN 20 HD21 ASN 20 -4.667 -6.891 -9.177 165 HD22 ASN 20 HD22 ASN 20 -3.643 -5.486 -8.867 166 H HIS 21 H HIS 21 -1.877 -9.394 -5.072 167 HA HIS 21 HA HIS 21 0.333 -11.089 -5.892 168 HB2 HIS 21 HB2 HIS 21 -0.289 -12.494 -4.234 169 HB3 HIS 21 HB3 HIS 21 -1.066 -11.027 -3.641 170 HD2 HIS 21 HD2 HIS 21 -3.820 -10.867 -4.170 171 HE1 HIS 21 HE1 HIS 21 -4.397 -15.050 -4.690 172 HE2 HIS 21 HE2 HIS 21 -5.571 -12.832 -4.296 173 H ILE 22 H ILE 22 -2.751 -10.532 -7.306 174 HA ILE 22 HA ILE 22 -2.963 -13.107 -8.637 175 HB ILE 22 HB ILE 22 -4.500 -10.507 -9.051 176 HG12 ILE 22 HG12 ILE 22 -5.012 -12.987 -7.334 177 HG13 ILE 22 HG13 ILE 22 -4.738 -11.327 -6.771 178 HG21 ILE 22 HG21 ILE 22 -5.139 -13.343 -9.968 179 HG22 ILE 22 HG22 ILE 22 -6.186 -11.917 -10.166 180 HG23 ILE 22 HG23 ILE 22 -4.656 -11.990 -11.018 181 HD11 ILE 22 HD11 ILE 22 -6.900 -10.651 -7.827 182 HD12 ILE 22 HD12 ILE 22 -7.218 -12.379 -8.147 183 HD13 ILE 22 HD13 ILE 22 -7.022 -11.806 -6.482 184 H THR 23 H THR 23 -1.954 -9.817 -9.479 185 HA THR 23 HA THR 23 -1.196 -10.635 -12.233 186 HB THR 23 HB THR 23 -1.488 -8.420 -12.928 187 HG1 THR 23 HG1 THR 23 -2.256 -7.042 -10.960 188 HG21 THR 23 HG21 THR 23 -3.654 -9.597 -12.448 189 HG22 THR 23 HG22 THR 23 -3.696 -8.803 -10.859 190 HG23 THR 23 HG23 THR 23 -3.749 -7.829 -12.344 191 H ASN 24 H ASN 24 0.374 -10.012 -9.352 192 HA ASN 24 HA ASN 24 2.425 -9.616 -8.666 193 HB2 ASN 24 HB2 ASN 24 3.364 -10.297 -11.470 194 HB3 ASN 24 HB3 ASN 24 4.389 -10.157 -10.037 195 HD21 ASN 24 HD21 ASN 24 2.835 -12.404 -11.928 196 HD22 ASN 24 HD22 ASN 24 2.724 -13.685 -10.717 197 H ALA 25 H ALA 25 0.805 -7.385 -10.192 198 HA ALA 25 HA ALA 25 2.814 -5.360 -10.714 199 HB1 ALA 25 HB1 ALA 25 0.512 -5.279 -11.627 200 HB2 ALA 25 HB2 ALA 25 -0.131 -5.071 -9.982 201 HB3 ALA 25 HB3 ALA 25 0.907 -3.822 -10.696 202 H SER 26 H SER 26 3.172 -3.405 -9.397 203 HA SER 26 HA SER 26 2.431 -3.453 -6.582 204 HB2 SER 26 HB2 SER 26 4.722 -3.225 -5.698 205 HB3 SER 26 HB3 SER 26 4.403 -4.819 -6.378 206 HG SER 26 HG SER 26 5.545 -4.237 -8.223 207 H GLN 27 H GLN 27 2.708 -1.509 -5.467 208 HA GLN 27 HA GLN 27 3.771 0.859 -6.812 209 HB2 GLN 27 HB2 GLN 27 1.712 2.068 -7.024 210 HB3 GLN 27 HB3 GLN 27 1.541 0.538 -7.885 211 HG2 GLN 27 HG2 GLN 27 0.251 -0.378 -5.934 212 HG3 GLN 27 HG3 GLN 27 0.385 1.189 -5.148 213 HE21 GLN 27 HE21 GLN 27 -1.629 2.118 -5.243 214 HE22 GLN 27 HE22 GLN 27 -2.626 2.181 -6.711 215 H PHE 28 H PHE 28 3.908 2.708 -5.424 216 HA PHE 28 HA PHE 28 3.862 2.097 -2.560 217 HB2 PHE 28 HB2 PHE 28 5.781 3.190 -3.125 218 HB3 PHE 28 HB3 PHE 28 4.961 4.322 -4.207 219 HD1 PHE 28 HD1 PHE 28 3.836 6.328 -3.395 220 HD2 PHE 28 HD2 PHE 28 5.828 3.630 -0.680 221 HE1 PHE 28 HE1 PHE 28 3.726 8.046 -1.609 222 HE2 PHE 28 HE2 PHE 28 5.730 5.357 1.102 223 HZ PHE 28 HZ PHE 28 4.677 7.566 0.644 224 H GLU 29 H GLU 29 1.890 4.152 -4.625 225 HA GLU 29 HA GLU 29 0.504 5.420 -2.435 226 HB2 GLU 29 HB2 GLU 29 0.754 6.472 -4.592 227 HB3 GLU 29 HB3 GLU 29 -0.165 5.178 -5.388 228 HG2 GLU 29 HG2 GLU 29 -2.193 5.813 -4.168 229 HG3 GLU 29 HG3 GLU 29 -1.291 7.013 -3.233 230 H ARG 30 H ARG 30 -1.355 4.938 -1.406 231 HA ARG 30 HA ARG 30 -2.227 2.282 -1.149 232 HB2 ARG 30 HB2 ARG 30 -2.383 3.668 0.672 233 HB3 ARG 30 HB3 ARG 30 -3.212 4.943 -0.207 234 HG2 ARG 30 HG2 ARG 30 -4.576 3.803 1.487 235 HG3 ARG 30 HG3 ARG 30 -5.289 3.855 -0.135 236 HD2 ARG 30 HD2 ARG 30 -3.941 1.360 0.051 237 HD3 ARG 30 HD3 ARG 30 -4.678 1.588 1.621 238 HE ARG 30 HE ARG 30 -6.103 1.555 -1.027 239 HH11 ARG 30 HH11 ARG 30 -6.455 1.187 2.466 240 HH12 ARG 30 HH12 ARG 30 -8.127 0.710 2.268 241 HH21 ARG 30 HH21 ARG 30 -8.148 1.062 -1.128 242 HH22 ARG 30 HH22 ARG 30 -9.028 0.534 0.312 243 HA PRO 31 HA PRO 31 -4.592 1.873 -4.902 244 HB2 PRO 31 HB2 PRO 31 -5.600 -0.594 -3.473 245 HB3 PRO 31 HB3 PRO 31 -5.055 -0.422 -5.173 246 HG2 PRO 31 HG2 PRO 31 -3.425 -1.475 -3.253 247 HG3 PRO 31 HG3 PRO 31 -2.766 -0.333 -4.481 248 HD2 PRO 31 HD2 PRO 31 -3.566 0.152 -1.623 249 HD3 PRO 31 HD3 PRO 31 -2.166 0.778 -2.550 250 H SER 32 H SER 32 -6.399 2.961 -5.427 251 HA SER 32 HA SER 32 -8.569 3.401 -3.507 252 HB2 SER 32 HB2 SER 32 -8.141 4.363 -6.360 253 HB3 SER 32 HB3 SER 32 -9.475 4.866 -5.305 254 HG SER 32 HG SER 32 -7.713 6.326 -5.236 255 H GLY 33 H GLY 33 -8.082 1.204 -6.164 256 HA2 GLY 33 HA2 GLY 33 -10.500 -0.267 -5.832 257 HA3 GLY 33 HA3 GLY 33 -10.711 0.868 -7.165 258 H1B XYP 101 H1 XYP 34 12.354 1.716 1.558 259 H2B XYP 101 H2 XYP 34 14.692 3.472 0.649 260 H3B XYP 101 H3 XYP 34 11.736 3.750 -0.061 261 H4B XYP 101 H4 XYP 34 14.000 2.782 -1.873 262 H5B1 XYP 101 H5E XYP 34 12.853 0.575 -1.823 263 H5B2 XYP 101 H5A XYP 34 11.668 1.205 -0.666 264 HO2B XYP 101 H2O XYP 34 12.424 3.862 2.359 265 HO3B XYP 101 H3O XYP 34 13.114 5.666 -0.061 266 HO4B XYP 101 H4O XYP 34 12.179 4.006 -2.749 Start of MODEL 19 1 H1 LYS 1 H1 LYS 1 -11.565 -3.643 3.109 2 H2 LYS 1 H2 LYS 1 -12.454 -2.376 2.567 3 H3 LYS 1 H3 LYS 1 -12.296 -2.638 4.171 4 HA LYS 1 HA LYS 1 -10.944 -0.789 3.507 5 HB2 LYS 1 HB2 LYS 1 -10.173 -2.105 5.419 6 HB3 LYS 1 HB3 LYS 1 -9.340 -3.233 4.349 7 HG2 LYS 1 HG2 LYS 1 -7.900 -1.269 3.549 8 HG3 LYS 1 HG3 LYS 1 -8.674 -0.292 4.809 9 HD2 LYS 1 HD2 LYS 1 -7.765 -1.832 6.537 10 HD3 LYS 1 HD3 LYS 1 -7.127 -2.889 5.269 11 HE2 LYS 1 HE2 LYS 1 -5.286 -1.604 6.054 12 HE3 LYS 1 HE3 LYS 1 -5.693 -1.011 4.438 13 HZ1 LYS 1 HZ1 LYS 1 -6.489 0.276 7.006 14 HZ2 LYS 1 HZ2 LYS 1 -5.320 0.820 6.010 15 HZ3 LYS 1 HZ3 LYS 1 -6.879 0.850 5.527 16 H LEU 2 H LEU 2 -9.145 -3.618 2.211 17 HA LEU 2 HA LEU 2 -7.998 -1.867 0.171 18 HB2 LEU 2 HB2 LEU 2 -6.732 -3.250 1.870 19 HB3 LEU 2 HB3 LEU 2 -7.263 -4.693 0.991 20 HG LEU 2 HG LEU 2 -6.012 -3.812 -1.017 21 HD11 LEU 2 HD11 LEU 2 -5.929 -1.398 -0.446 22 HD12 LEU 2 HD12 LEU 2 -4.999 -1.765 1.026 23 HD13 LEU 2 HD13 LEU 2 -4.304 -2.049 -0.593 24 HD21 LEU 2 HD21 LEU 2 -5.020 -5.447 0.542 25 HD22 LEU 2 HD22 LEU 2 -3.787 -4.340 -0.098 26 HD23 LEU 2 HD23 LEU 2 -4.409 -4.124 1.556 27 HA PRO 3 HA PRO 3 -10.461 -3.625 -3.049 28 HB2 PRO 3 HB2 PRO 3 -8.265 -3.285 -5.030 29 HB3 PRO 3 HB3 PRO 3 -9.899 -2.566 -5.011 30 HG2 PRO 3 HG2 PRO 3 -7.654 -1.115 -4.420 31 HG3 PRO 3 HG3 PRO 3 -9.216 -0.825 -3.584 32 HD2 PRO 3 HD2 PRO 3 -6.833 -2.418 -2.601 33 HD3 PRO 3 HD3 PRO 3 -7.851 -1.223 -1.752 34 HA PRO 4 HA PRO 4 -9.562 -7.907 -3.827 35 HB2 PRO 4 HB2 PRO 4 -10.343 -7.443 -6.710 36 HB3 PRO 4 HB3 PRO 4 -10.863 -8.748 -5.592 37 HG2 PRO 4 HG2 PRO 4 -12.502 -6.651 -6.067 38 HG3 PRO 4 HG3 PRO 4 -12.283 -7.240 -4.385 39 HD2 PRO 4 HD2 PRO 4 -10.947 -4.877 -5.737 40 HD3 PRO 4 HD3 PRO 4 -11.705 -4.980 -4.116 41 H GLY 5 H GLY 5 -7.861 -9.174 -4.369 42 HA2 GLY 5 HA2 GLY 5 -5.936 -9.951 -5.365 43 HA3 GLY 5 HA3 GLY 5 -6.043 -8.670 -6.586 44 H TRP 6 H TRP 6 -6.072 -6.593 -4.250 45 HA TRP 6 HA TRP 6 -3.168 -6.326 -4.078 46 HB2 TRP 6 HB2 TRP 6 -5.414 -4.579 -3.088 47 HB3 TRP 6 HB3 TRP 6 -3.714 -4.227 -2.820 48 HD1 TRP 6 HD1 TRP 6 -6.366 -4.208 -5.483 49 HE1 TRP 6 HE1 TRP 6 -5.526 -3.080 -7.631 50 HE3 TRP 6 HE3 TRP 6 -1.417 -3.842 -4.286 51 HZ2 TRP 6 HZ2 TRP 6 -2.988 -2.267 -8.746 52 HZ3 TRP 6 HZ3 TRP 6 0.214 -2.919 -5.945 53 HH2 TRP 6 HH2 TRP 6 -0.562 -2.153 -8.167 54 H GLU 7 H GLU 7 -1.883 -6.195 -2.299 55 HA GLU 7 HA GLU 7 -2.904 -6.853 0.408 56 HB2 GLU 7 HB2 GLU 7 -2.091 -8.953 -0.865 57 HB3 GLU 7 HB3 GLU 7 -0.494 -8.195 -0.869 58 HG2 GLU 7 HG2 GLU 7 -0.737 -8.072 1.707 59 HG3 GLU 7 HG3 GLU 7 -2.168 -9.080 1.522 60 H LYS 8 H LYS 8 -1.691 -5.820 2.048 61 HA LYS 8 HA LYS 8 0.224 -3.742 1.283 62 HB2 LYS 8 HB2 LYS 8 -0.852 -4.722 3.939 63 HB3 LYS 8 HB3 LYS 8 0.545 -3.632 3.853 64 HG2 LYS 8 HG2 LYS 8 -0.711 -2.023 2.514 65 HG3 LYS 8 HG3 LYS 8 -2.122 -3.099 2.507 66 HD2 LYS 8 HD2 LYS 8 -2.582 -1.432 4.131 67 HD3 LYS 8 HD3 LYS 8 -2.134 -2.873 5.066 68 HE2 LYS 8 HE2 LYS 8 0.218 -1.972 5.225 69 HE3 LYS 8 HE3 LYS 8 -0.307 -0.528 4.346 70 HZ1 LYS 8 HZ1 LYS 8 -1.363 -1.398 6.988 71 HZ2 LYS 8 HZ2 LYS 8 -0.305 -0.179 6.755 72 HZ3 LYS 8 HZ3 LYS 8 -1.829 -0.047 6.188 73 H ARG 9 H ARG 9 2.319 -3.617 1.623 74 HA ARG 9 HA ARG 9 3.942 -5.913 2.618 75 HB2 ARG 9 HB2 ARG 9 4.362 -4.495 -0.042 76 HB3 ARG 9 HB3 ARG 9 5.516 -5.621 0.671 77 HG2 ARG 9 HG2 ARG 9 2.748 -6.284 -0.273 78 HG3 ARG 9 HG3 ARG 9 4.255 -6.651 -1.126 79 HD2 ARG 9 HD2 ARG 9 4.977 -8.142 0.694 80 HD3 ARG 9 HD3 ARG 9 3.507 -7.773 1.608 81 HE ARG 9 HE ARG 9 2.209 -9.109 0.207 82 HH11 ARG 9 HH11 ARG 9 5.489 -9.157 -1.075 83 HH12 ARG 9 HH12 ARG 9 5.186 -10.658 -1.912 84 HH21 ARG 9 HH21 ARG 9 1.925 -10.887 -0.795 85 HH22 ARG 9 HH22 ARG 9 3.193 -11.647 -1.765 86 H MET 10 H MET 10 6.258 -5.297 2.598 87 HA MET 10 HA MET 10 6.886 -2.499 3.144 88 HB2 MET 10 HB2 MET 10 5.774 -3.249 5.267 89 HB3 MET 10 HB3 MET 10 7.057 -4.462 5.460 90 HG2 MET 10 HG2 MET 10 8.720 -2.537 5.422 91 HG3 MET 10 HG3 MET 10 7.339 -1.431 5.486 92 HE1 MET 10 HE1 MET 10 5.899 -2.087 9.076 93 HE2 MET 10 HE2 MET 10 5.885 -1.000 7.674 94 HE3 MET 10 HE3 MET 10 5.309 -2.677 7.509 95 H PHE 11 H PHE 11 8.940 -2.034 2.793 96 HA PHE 11 HA PHE 11 10.911 -3.995 2.000 97 HB2 PHE 11 HB2 PHE 11 10.941 -1.002 2.333 98 HB3 PHE 11 HB3 PHE 11 12.403 -1.911 1.945 99 HD1 PHE 11 HD1 PHE 11 9.422 -0.401 0.580 100 HD2 PHE 11 HD2 PHE 11 12.481 -3.350 -0.157 101 HE1 PHE 11 HE1 PHE 11 8.917 -0.319 -1.849 102 HE2 PHE 11 HE2 PHE 11 11.967 -3.271 -2.586 103 HZ PHE 11 HZ PHE 11 10.187 -1.753 -3.436 104 H ALA 12 H ALA 12 13.076 -4.244 2.848 105 HA ALA 12 HA ALA 12 13.196 -4.821 5.629 106 HB1 ALA 12 HB1 ALA 12 14.582 -5.899 3.894 107 HB2 ALA 12 HB2 ALA 12 15.440 -4.363 3.611 108 HB3 ALA 12 HB3 ALA 12 15.592 -5.198 5.173 109 H ASN 13 H ASN 13 13.730 -1.785 3.989 110 HA ASN 13 HA ASN 13 15.142 -0.506 6.220 111 HB2 ASN 13 HB2 ASN 13 15.149 1.459 4.803 112 HB3 ASN 13 HB3 ASN 13 15.652 0.041 3.874 113 HD21 ASN 13 HD21 ASN 13 15.174 1.512 2.063 114 H GLY 14 H GLY 14 11.910 -1.347 5.871 115 HA2 GLY 14 HA2 GLY 14 10.205 -0.853 7.381 116 HA3 GLY 14 HA3 GLY 14 11.039 0.618 7.904 117 H THR 15 H THR 15 10.651 0.293 4.443 118 HA THR 15 HA THR 15 8.624 2.468 4.398 119 HB THR 15 HB THR 15 10.282 1.139 2.225 120 HG1 THR 15 HG1 THR 15 11.514 2.282 3.552 121 HG21 THR 15 HG21 THR 15 8.292 2.078 1.193 122 HG22 THR 15 HG22 THR 15 8.568 3.631 2.028 123 HG23 THR 15 HG23 THR 15 9.718 3.032 0.800 124 H VAL 16 H VAL 16 6.514 2.145 3.824 125 HA VAL 16 HA VAL 16 5.586 -0.634 3.363 126 HB VAL 16 HB VAL 16 4.203 1.963 4.126 127 HG11 VAL 16 HG11 VAL 16 2.161 0.627 4.543 128 HG12 VAL 16 HG12 VAL 16 2.561 0.696 2.829 129 HG13 VAL 16 HG13 VAL 16 2.922 -0.776 3.763 130 HG21 VAL 16 HG21 VAL 16 3.806 0.790 6.261 131 HG22 VAL 16 HG22 VAL 16 4.646 -0.646 5.639 132 HG23 VAL 16 HG23 VAL 16 5.536 0.868 5.913 133 H TYR 17 H TYR 17 4.365 -1.279 1.633 134 HA TYR 17 HA TYR 17 3.572 0.573 -0.499 135 HB2 TYR 17 HB2 TYR 17 4.767 -0.527 -2.278 136 HB3 TYR 17 HB3 TYR 17 5.915 0.061 -1.087 137 HD1 TYR 17 HD1 TYR 17 4.575 -2.902 -2.802 138 HD2 TYR 17 HD2 TYR 17 7.139 -1.545 0.399 139 HE1 TYR 17 HE1 TYR 17 5.815 -5.043 -2.897 140 HE2 TYR 17 HE2 TYR 17 8.368 -3.717 0.310 141 HH TYR 17 HH TYR 17 7.592 -6.237 -2.090 142 H TYR 18 H TYR 18 2.688 -0.944 -2.393 143 HA TYR 18 HA TYR 18 0.930 -3.027 -1.192 144 HB2 TYR 18 HB2 TYR 18 0.229 -0.859 -3.196 145 HB3 TYR 18 HB3 TYR 18 -0.830 -2.188 -2.706 146 HD1 TYR 18 HD1 TYR 18 -1.930 -2.229 -0.548 147 HD2 TYR 18 HD2 TYR 18 0.790 0.953 -1.584 148 HE1 TYR 18 HE1 TYR 18 -2.743 -0.897 1.384 149 HE2 TYR 18 HE2 TYR 18 0.045 2.242 0.417 150 HH TYR 18 HH TYR 18 -2.420 0.965 2.671 151 H PHE 19 H PHE 19 0.529 -4.839 -2.314 152 HA PHE 19 HA PHE 19 1.747 -5.191 -4.996 153 HB2 PHE 19 HB2 PHE 19 3.394 -6.042 -3.587 154 HB3 PHE 19 HB3 PHE 19 2.201 -6.838 -2.549 155 HD1 PHE 19 HD1 PHE 19 3.884 -7.022 -5.850 156 HD2 PHE 19 HD2 PHE 19 1.384 -9.071 -2.987 157 HE1 PHE 19 HE1 PHE 19 4.243 -9.151 -7.062 158 HE2 PHE 19 HE2 PHE 19 1.798 -11.205 -4.168 159 HZ PHE 19 HZ PHE 19 3.210 -11.256 -6.218 160 H ASN 20 H ASN 20 0.636 -6.212 -6.514 161 HA ASN 20 HA ASN 20 -2.042 -7.280 -5.790 162 HB2 ASN 20 HB2 ASN 20 -1.799 -5.548 -7.563 163 HB3 ASN 20 HB3 ASN 20 -0.840 -6.693 -8.520 164 HD21 ASN 20 HD21 ASN 20 -4.618 -6.768 -9.276 165 HD22 ASN 20 HD22 ASN 20 -3.576 -5.387 -8.925 166 H HIS 21 H HIS 21 -1.987 -9.390 -5.205 167 HA HIS 21 HA HIS 21 0.222 -11.113 -5.952 168 HB2 HIS 21 HB2 HIS 21 -0.482 -12.454 -4.298 169 HB3 HIS 21 HB3 HIS 21 -1.395 -11.037 -3.801 170 HD2 HIS 21 HD2 HIS 21 -4.076 -11.044 -4.330 171 HE1 HIS 21 HE1 HIS 21 -4.437 -15.169 -5.288 172 HE2 HIS 21 HE2 HIS 21 -5.724 -13.062 -4.707 173 H ILE 22 H ILE 22 -2.824 -10.482 -7.466 174 HA ILE 22 HA ILE 22 -3.006 -13.018 -8.871 175 HB ILE 22 HB ILE 22 -4.510 -10.393 -9.250 176 HG12 ILE 22 HG12 ILE 22 -5.089 -12.933 -7.650 177 HG13 ILE 22 HG13 ILE 22 -4.837 -11.295 -7.015 178 HG21 ILE 22 HG21 ILE 22 -5.144 -13.185 -10.299 179 HG22 ILE 22 HG22 ILE 22 -6.170 -11.740 -10.478 180 HG23 ILE 22 HG23 ILE 22 -4.616 -11.799 -11.281 181 HD11 ILE 22 HD11 ILE 22 -7.262 -12.289 -8.532 182 HD12 ILE 22 HD12 ILE 22 -7.138 -11.819 -6.833 183 HD13 ILE 22 HD13 ILE 22 -6.967 -10.580 -8.100 184 H THR 23 H THR 23 -1.956 -9.718 -9.609 185 HA THR 23 HA THR 23 -1.134 -10.467 -12.363 186 HB THR 23 HB THR 23 -1.396 -8.229 -12.999 187 HG1 THR 23 HG1 THR 23 -2.190 -6.901 -11.010 188 HG21 THR 23 HG21 THR 23 -3.659 -7.631 -12.443 189 HG22 THR 23 HG22 THR 23 -3.583 -9.396 -12.592 190 HG23 THR 23 HG23 THR 23 -3.645 -8.643 -10.983 191 H ASN 24 H ASN 24 0.377 -10.087 -9.471 192 HA ASN 24 HA ASN 24 2.321 -9.602 -8.640 193 HB2 ASN 24 HB2 ASN 24 4.369 -10.288 -9.692 194 HB3 ASN 24 HB3 ASN 24 3.084 -11.480 -9.893 195 HD21 ASN 24 HD21 ASN 24 2.876 -12.327 -11.926 196 HD22 ASN 24 HD22 ASN 24 3.538 -11.567 -13.377 197 H ALA 25 H ALA 25 0.901 -7.360 -10.247 198 HA ALA 25 HA ALA 25 2.971 -5.381 -10.654 199 HB1 ALA 25 HB1 ALA 25 0.711 -5.244 -11.662 200 HB2 ALA 25 HB2 ALA 25 0.004 -5.038 -10.042 201 HB3 ALA 25 HB3 ALA 25 1.095 -3.803 -10.701 202 H SER 26 H SER 26 3.329 -3.452 -9.315 203 HA SER 26 HA SER 26 2.459 -3.487 -6.536 204 HB2 SER 26 HB2 SER 26 4.699 -3.338 -5.542 205 HB3 SER 26 HB3 SER 26 4.399 -4.909 -6.286 206 HG SER 26 HG SER 26 5.644 -4.292 -8.046 207 H GLN 27 H GLN 27 2.729 -1.547 -5.411 208 HA GLN 27 HA GLN 27 3.865 0.801 -6.743 209 HB2 GLN 27 HB2 GLN 27 1.808 2.032 -6.965 210 HB3 GLN 27 HB3 GLN 27 1.668 0.519 -7.863 211 HG2 GLN 27 HG2 GLN 27 0.318 -0.448 -6.002 212 HG3 GLN 27 HG3 GLN 27 0.448 1.074 -5.132 213 HE21 GLN 27 HE21 GLN 27 -1.459 2.181 -5.275 214 HE22 GLN 27 HE22 GLN 27 -2.453 2.277 -6.743 215 H PHE 28 H PHE 28 4.083 2.616 -5.368 216 HA PHE 28 HA PHE 28 4.032 2.020 -2.517 217 HB2 PHE 28 HB2 PHE 28 5.956 3.077 -3.135 218 HB3 PHE 28 HB3 PHE 28 5.124 4.247 -4.165 219 HD1 PHE 28 HD1 PHE 28 6.099 3.462 -0.691 220 HD2 PHE 28 HD2 PHE 28 4.072 6.263 -3.273 221 HE1 PHE 28 HE1 PHE 28 6.117 5.155 1.127 222 HE2 PHE 28 HE2 PHE 28 4.082 7.949 -1.452 223 HZ PHE 28 HZ PHE 28 5.109 7.400 0.752 224 H GLU 29 H GLU 29 2.081 4.136 -4.541 225 HA GLU 29 HA GLU 29 0.687 5.357 -2.311 226 HB2 GLU 29 HB2 GLU 29 1.025 6.510 -4.410 227 HB3 GLU 29 HB3 GLU 29 0.092 5.284 -5.290 228 HG2 GLU 29 HG2 GLU 29 -1.949 5.916 -4.096 229 HG3 GLU 29 HG3 GLU 29 -1.042 7.035 -3.072 230 H ARG 30 H ARG 30 -1.284 4.924 -1.434 231 HA ARG 30 HA ARG 30 -2.194 2.264 -1.294 232 HB2 ARG 30 HB2 ARG 30 -2.432 3.665 0.559 233 HB3 ARG 30 HB3 ARG 30 -3.231 4.927 -0.362 234 HG2 ARG 30 HG2 ARG 30 -4.696 3.803 1.235 235 HG3 ARG 30 HG3 ARG 30 -5.289 3.768 -0.435 236 HD2 ARG 30 HD2 ARG 30 -3.924 1.332 -0.127 237 HD3 ARG 30 HD3 ARG 30 -4.653 1.576 1.445 238 HE ARG 30 HE ARG 30 -6.039 1.307 -1.191 239 HH11 ARG 30 HH11 ARG 30 -9.043 0.571 0.157 240 HH12 ARG 30 HH12 ARG 30 -8.101 0.885 -1.302 241 HH21 ARG 30 HH21 ARG 30 -6.535 1.548 2.286 242 HH22 ARG 30 HH22 ARG 30 -8.220 1.111 2.111 243 HA PRO 31 HA PRO 31 -4.580 2.190 -5.117 244 HB2 PRO 31 HB2 PRO 31 -5.488 -0.416 -5.001 245 HB3 PRO 31 HB3 PRO 31 -3.830 0.055 -5.480 246 HG2 PRO 31 HG2 PRO 31 -4.774 -0.822 -2.720 247 HG3 PRO 31 HG3 PRO 31 -3.363 -1.417 -3.659 248 HD2 PRO 31 HD2 PRO 31 -3.075 0.439 -1.769 249 HD3 PRO 31 HD3 PRO 31 -2.176 0.598 -3.306 250 H SER 32 H SER 32 -6.515 3.106 -5.380 251 HA SER 32 HA SER 32 -8.551 3.051 -3.279 252 HB2 SER 32 HB2 SER 32 -9.649 4.748 -4.689 253 HB3 SER 32 HB3 SER 32 -7.960 5.144 -4.337 254 HG SER 32 HG SER 32 -8.496 5.458 -6.547 255 H GLY 33 H GLY 33 -8.056 1.253 -6.187 256 HA2 GLY 33 HA2 GLY 33 -10.350 -0.418 -5.905 257 HA3 GLY 33 HA3 GLY 33 -10.686 0.803 -7.130 258 H1B XYP 101 H1 XYP 34 12.256 1.702 1.447 259 H2B XYP 101 H2 XYP 34 14.577 3.444 0.470 260 H3B XYP 101 H3 XYP 34 11.612 3.701 -0.209 261 H4B XYP 101 H4 XYP 34 13.857 2.697 -2.027 262 H5B1 XYP 101 H5E XYP 34 12.707 0.492 -1.918 263 H5B2 XYP 101 H5A XYP 34 11.540 1.149 -0.757 264 HO2B XYP 101 H2O XYP 34 12.329 3.862 2.201 265 HO3B XYP 101 H3O XYP 34 12.986 5.619 -0.267 266 HO4B XYP 101 H4O XYP 34 12.026 3.903 -2.909 Start of MODEL 20 1 H1 LYS 1 H1 LYS 1 -11.342 -3.660 3.286 2 H2 LYS 1 H2 LYS 1 -12.471 -2.919 2.356 3 H3 LYS 1 H3 LYS 1 -12.457 -2.682 3.971 4 HA LYS 1 HA LYS 1 -11.623 -0.761 2.866 5 HB2 LYS 1 HB2 LYS 1 -9.445 -0.493 3.981 6 HB3 LYS 1 HB3 LYS 1 -10.752 -0.995 5.036 7 HG2 LYS 1 HG2 LYS 1 -9.911 -3.250 5.204 8 HG3 LYS 1 HG3 LYS 1 -8.683 -2.975 3.966 9 HD2 LYS 1 HD2 LYS 1 -8.762 -1.502 6.621 10 HD3 LYS 1 HD3 LYS 1 -7.819 -2.965 6.301 11 HE2 LYS 1 HE2 LYS 1 -6.598 -1.789 4.465 12 HE3 LYS 1 HE3 LYS 1 -7.506 -0.313 4.821 13 HZ1 LYS 1 HZ1 LYS 1 -5.697 -1.688 6.730 14 HZ2 LYS 1 HZ2 LYS 1 -5.364 -0.295 5.941 15 HZ3 LYS 1 HZ3 LYS 1 -6.551 -0.335 7.061 16 H LEU 2 H LEU 2 -9.274 -3.435 2.180 17 HA LEU 2 HA LEU 2 -8.085 -1.834 0.063 18 HB2 LEU 2 HB2 LEU 2 -6.921 -3.257 1.868 19 HB3 LEU 2 HB3 LEU 2 -7.451 -4.668 0.940 20 HG LEU 2 HG LEU 2 -6.157 -3.702 -1.039 21 HD11 LEU 2 HD11 LEU 2 -4.381 -2.068 -0.495 22 HD12 LEU 2 HD12 LEU 2 -5.966 -1.344 -0.256 23 HD13 LEU 2 HD13 LEU 2 -5.038 -1.887 1.157 24 HD21 LEU 2 HD21 LEU 2 -5.269 -5.501 0.395 25 HD22 LEU 2 HD22 LEU 2 -3.973 -4.413 -0.146 26 HD23 LEU 2 HD23 LEU 2 -4.607 -4.295 1.516 27 HA PRO 3 HA PRO 3 -10.632 -3.653 -3.097 28 HB2 PRO 3 HB2 PRO 3 -9.154 -3.150 -5.392 29 HB3 PRO 3 HB3 PRO 3 -10.112 -1.928 -4.496 30 HG2 PRO 3 HG2 PRO 3 -7.145 -2.502 -4.259 31 HG3 PRO 3 HG3 PRO 3 -7.955 -0.923 -4.430 32 HD2 PRO 3 HD2 PRO 3 -7.157 -1.854 -2.039 33 HD3 PRO 3 HD3 PRO 3 -8.718 -0.990 -2.217 34 HA PRO 4 HA PRO 4 -9.597 -7.815 -3.883 35 HB2 PRO 4 HB2 PRO 4 -10.366 -7.421 -6.781 36 HB3 PRO 4 HB3 PRO 4 -10.852 -8.728 -5.650 37 HG2 PRO 4 HG2 PRO 4 -12.547 -6.682 -6.142 38 HG3 PRO 4 HG3 PRO 4 -12.304 -7.242 -4.452 39 HD2 PRO 4 HD2 PRO 4 -11.047 -4.862 -5.846 40 HD3 PRO 4 HD3 PRO 4 -11.788 -4.969 -4.218 41 H GLY 5 H GLY 5 -7.909 -9.112 -4.383 42 HA2 GLY 5 HA2 GLY 5 -5.994 -9.929 -5.349 43 HA3 GLY 5 HA3 GLY 5 -6.077 -8.666 -6.593 44 H TRP 6 H TRP 6 -6.102 -6.611 -4.186 45 HA TRP 6 HA TRP 6 -3.190 -6.346 -4.052 46 HB2 TRP 6 HB2 TRP 6 -5.419 -4.612 -3.001 47 HB3 TRP 6 HB3 TRP 6 -3.714 -4.265 -2.769 48 HD1 TRP 6 HD1 TRP 6 -6.429 -4.202 -5.363 49 HE1 TRP 6 HE1 TRP 6 -5.657 -2.948 -7.471 50 HE3 TRP 6 HE3 TRP 6 -1.461 -3.841 -4.257 51 HZ2 TRP 6 HZ2 TRP 6 -3.116 -2.186 -8.658 52 HZ3 TRP 6 HZ3 TRP 6 0.141 -2.876 -5.927 53 HH2 TRP 6 HH2 TRP 6 -0.680 -2.075 -8.120 54 H GLU 7 H GLU 7 -1.912 -6.174 -2.253 55 HA GLU 7 HA GLU 7 -2.920 -6.887 0.443 56 HB2 GLU 7 HB2 GLU 7 -2.086 -8.967 -0.801 57 HB3 GLU 7 HB3 GLU 7 -0.534 -8.158 -0.943 58 HG2 GLU 7 HG2 GLU 7 -1.042 -8.013 1.807 59 HG3 GLU 7 HG3 GLU 7 -1.844 -9.502 1.379 60 H LYS 8 H LYS 8 -1.724 -5.815 2.087 61 HA LYS 8 HA LYS 8 0.146 -3.709 1.284 62 HB2 LYS 8 HB2 LYS 8 -0.855 -4.679 3.970 63 HB3 LYS 8 HB3 LYS 8 0.550 -3.601 3.845 64 HG2 LYS 8 HG2 LYS 8 -0.740 -2.004 2.494 65 HG3 LYS 8 HG3 LYS 8 -2.161 -3.063 2.589 66 HD2 LYS 8 HD2 LYS 8 -2.534 -1.357 4.179 67 HD3 LYS 8 HD3 LYS 8 -2.026 -2.759 5.144 68 HE2 LYS 8 HE2 LYS 8 0.326 -1.841 5.149 69 HE3 LYS 8 HE3 LYS 8 -0.247 -0.443 4.229 70 HZ1 LYS 8 HZ1 LYS 8 -1.681 0.124 6.115 71 HZ2 LYS 8 HZ2 LYS 8 -1.171 -1.184 6.957 72 HZ3 LYS 8 HZ3 LYS 8 -0.132 0.026 6.613 73 H ARG 9 H ARG 9 2.256 -3.568 1.577 74 HA ARG 9 HA ARG 9 3.881 -6.034 2.045 75 HB2 ARG 9 HB2 ARG 9 2.980 -5.416 -0.454 76 HB3 ARG 9 HB3 ARG 9 4.357 -4.337 -0.404 77 HG2 ARG 9 HG2 ARG 9 5.036 -6.353 -1.468 78 HG3 ARG 9 HG3 ARG 9 5.802 -6.375 0.136 79 HD2 ARG 9 HD2 ARG 9 4.081 -7.961 0.939 80 HD3 ARG 9 HD3 ARG 9 3.219 -7.824 -0.612 81 HE ARG 9 HE ARG 9 6.016 -8.674 -0.836 82 HH11 ARG 9 HH11 ARG 9 2.720 -9.952 -0.488 83 HH12 ARG 9 HH12 ARG 9 3.190 -11.452 -1.243 84 HH21 ARG 9 HH21 ARG 9 6.465 -10.611 -1.766 85 HH22 ARG 9 HH22 ARG 9 5.220 -11.816 -1.926 86 H MET 10 H MET 10 6.243 -5.542 2.228 87 HA MET 10 HA MET 10 6.882 -2.748 2.948 88 HB2 MET 10 HB2 MET 10 5.604 -3.615 4.859 89 HB3 MET 10 HB3 MET 10 6.737 -4.971 5.018 90 HG2 MET 10 HG2 MET 10 8.542 -3.434 5.602 91 HG3 MET 10 HG3 MET 10 7.488 -2.036 5.289 92 HE1 MET 10 HE1 MET 10 7.928 -1.864 9.170 93 HE2 MET 10 HE2 MET 10 9.145 -2.358 7.972 94 HE3 MET 10 HE3 MET 10 8.054 -0.990 7.628 95 H PHE 11 H PHE 11 8.913 -2.236 2.739 96 HA PHE 11 HA PHE 11 10.949 -4.184 2.007 97 HB2 PHE 11 HB2 PHE 11 10.931 -1.175 2.202 98 HB3 PHE 11 HB3 PHE 11 12.391 -2.101 1.846 99 HD1 PHE 11 HD1 PHE 11 9.403 -0.658 0.424 100 HD2 PHE 11 HD2 PHE 11 12.439 -3.662 -0.178 101 HE1 PHE 11 HE1 PHE 11 8.861 -0.721 -1.998 102 HE2 PHE 11 HE2 PHE 11 11.883 -3.734 -2.600 103 HZ PHE 11 HZ PHE 11 10.095 -2.261 -3.512 104 H ALA 12 H ALA 12 13.008 -4.472 2.940 105 HA ALA 12 HA ALA 12 13.048 -4.825 5.759 106 HB1 ALA 12 HB1 ALA 12 15.418 -5.400 5.377 107 HB2 ALA 12 HB2 ALA 12 14.379 -6.134 4.142 108 HB3 ALA 12 HB3 ALA 12 15.343 -4.688 3.750 109 H ASN 13 H ASN 13 13.800 -1.969 3.892 110 HA ASN 13 HA ASN 13 15.319 -0.642 6.011 111 HB2 ASN 13 HB2 ASN 13 15.429 1.228 4.498 112 HB3 ASN 13 HB3 ASN 13 15.790 -0.268 3.627 113 HD21 ASN 13 HD21 ASN 13 15.410 1.031 1.747 114 H GLY 14 H GLY 14 12.053 -1.309 5.826 115 HA2 GLY 14 HA2 GLY 14 10.544 -0.645 7.514 116 HA3 GLY 14 HA3 GLY 14 11.386 0.896 7.714 117 H THR 15 H THR 15 10.789 0.224 4.383 118 HA THR 15 HA THR 15 8.696 2.308 4.305 119 HB THR 15 HB THR 15 10.253 0.938 2.087 120 HG1 THR 15 HG1 THR 15 11.648 2.056 3.180 121 HG21 THR 15 HG21 THR 15 8.220 1.895 1.179 122 HG22 THR 15 HG22 THR 15 8.523 3.432 2.031 123 HG23 THR 15 HG23 THR 15 9.613 2.884 0.727 124 H VAL 16 H VAL 16 6.580 1.887 4.074 125 HA VAL 16 HA VAL 16 5.634 -0.834 3.342 126 HB VAL 16 HB VAL 16 4.271 1.589 4.570 127 HG11 VAL 16 HG11 VAL 16 2.314 0.111 4.943 128 HG12 VAL 16 HG12 VAL 16 2.581 0.443 3.234 129 HG13 VAL 16 HG13 VAL 16 3.066 -1.130 3.913 130 HG21 VAL 16 HG21 VAL 16 4.060 0.126 6.547 131 HG22 VAL 16 HG22 VAL 16 4.906 -1.177 5.689 132 HG23 VAL 16 HG23 VAL 16 5.760 0.326 6.105 133 H TYR 17 H TYR 17 4.311 -1.239 1.640 134 HA TYR 17 HA TYR 17 3.381 0.816 -0.241 135 HB2 TYR 17 HB2 TYR 17 4.643 0.021 -2.115 136 HB3 TYR 17 HB3 TYR 17 5.791 0.418 -0.848 137 HD1 TYR 17 HD1 TYR 17 6.815 -1.516 0.533 138 HD2 TYR 17 HD2 TYR 17 4.675 -2.091 -3.172 139 HE1 TYR 17 HE1 TYR 17 8.002 -3.670 0.175 140 HE2 TYR 17 HE2 TYR 17 5.849 -4.263 -3.507 141 HH TYR 17 HH TYR 17 8.402 -5.381 -1.278 142 H TYR 18 H TYR 18 2.660 -0.790 -2.316 143 HA TYR 18 HA TYR 18 0.923 -2.906 -1.135 144 HB2 TYR 18 HB2 TYR 18 0.192 -0.759 -3.147 145 HB3 TYR 18 HB3 TYR 18 -0.833 -2.123 -2.681 146 HD1 TYR 18 HD1 TYR 18 0.627 1.080 -1.554 147 HD2 TYR 18 HD2 TYR 18 -1.941 -2.224 -0.511 148 HE1 TYR 18 HE1 TYR 18 -0.219 2.360 0.414 149 HE2 TYR 18 HE2 TYR 18 -2.841 -0.911 1.399 150 HH TYR 18 HH TYR 18 -2.649 0.990 2.650 151 H PHE 19 H PHE 19 0.508 -4.717 -2.257 152 HA PHE 19 HA PHE 19 1.782 -5.101 -4.908 153 HB2 PHE 19 HB2 PHE 19 3.409 -5.916 -3.462 154 HB3 PHE 19 HB3 PHE 19 2.206 -6.692 -2.421 155 HD1 PHE 19 HD1 PHE 19 1.354 -8.927 -2.862 156 HD2 PHE 19 HD2 PHE 19 4.006 -6.968 -5.649 157 HE1 PHE 19 HE1 PHE 19 1.773 -11.087 -3.994 158 HE2 PHE 19 HE2 PHE 19 4.396 -9.126 -6.795 159 HZ PHE 19 HZ PHE 19 3.280 -11.198 -5.972 160 H ASN 20 H ASN 20 0.731 -6.205 -6.432 161 HA ASN 20 HA ASN 20 -1.975 -7.236 -5.741 162 HB2 ASN 20 HB2 ASN 20 -1.682 -5.526 -7.534 163 HB3 ASN 20 HB3 ASN 20 -0.729 -6.702 -8.462 164 HD21 ASN 20 HD21 ASN 20 -3.531 -5.356 -8.764 165 HD22 ASN 20 HD22 ASN 20 -4.543 -6.744 -9.171 166 H HIS 21 H HIS 21 -2.006 -9.349 -5.178 167 HA HIS 21 HA HIS 21 0.204 -11.105 -5.924 168 HB2 HIS 21 HB2 HIS 21 -0.371 -12.354 -4.182 169 HB3 HIS 21 HB3 HIS 21 -1.275 -10.928 -3.686 170 HD2 HIS 21 HD2 HIS 21 -4.031 -11.025 -4.307 171 HE1 HIS 21 HE1 HIS 21 -4.206 -15.283 -4.369 172 HE2 HIS 21 HE2 HIS 21 -5.590 -13.150 -4.242 173 H ILE 22 H ILE 22 -2.748 -10.389 -7.486 174 HA ILE 22 HA ILE 22 -3.066 -12.962 -8.847 175 HB ILE 22 HB ILE 22 -4.222 -10.236 -9.549 176 HG12 ILE 22 HG12 ILE 22 -4.860 -10.707 -7.245 177 HG13 ILE 22 HG13 ILE 22 -6.241 -10.769 -8.341 178 HG21 ILE 22 HG21 ILE 22 -4.447 -11.761 -11.377 179 HG22 ILE 22 HG22 ILE 22 -5.061 -13.046 -10.316 180 HG23 ILE 22 HG23 ILE 22 -6.029 -11.580 -10.614 181 HD11 ILE 22 HD11 ILE 22 -6.333 -12.534 -6.633 182 HD12 ILE 22 HD12 ILE 22 -6.237 -13.234 -8.257 183 HD13 ILE 22 HD13 ILE 22 -4.795 -13.208 -7.213 184 H THR 23 H THR 23 -1.710 -9.754 -9.532 185 HA THR 23 HA THR 23 -0.794 -10.608 -12.226 186 HB THR 23 HB THR 23 -1.011 -8.395 -12.958 187 HG1 THR 23 HG1 THR 23 -1.755 -6.843 -11.282 188 HG21 THR 23 HG21 THR 23 -3.291 -7.788 -12.585 189 HG22 THR 23 HG22 THR 23 -3.229 -9.559 -12.565 190 HG23 THR 23 HG23 THR 23 -3.356 -8.654 -11.038 191 H ASN 24 H ASN 24 0.577 -10.086 -9.274 192 HA ASN 24 HA ASN 24 2.482 -9.543 -8.382 193 HB2 ASN 24 HB2 ASN 24 4.557 -10.313 -9.252 194 HB3 ASN 24 HB3 ASN 24 3.285 -11.501 -9.555 195 HD21 ASN 24 HD21 ASN 24 5.034 -8.805 -11.155 196 HD22 ASN 24 HD22 ASN 24 5.078 -9.600 -12.738 197 H ALA 25 H ALA 25 1.087 -7.400 -10.018 198 HA ALA 25 HA ALA 25 3.157 -5.414 -10.509 199 HB1 ALA 25 HB1 ALA 25 0.915 -5.331 -11.564 200 HB2 ALA 25 HB2 ALA 25 0.174 -5.084 -9.965 201 HB3 ALA 25 HB3 ALA 25 1.266 -3.859 -10.638 202 H SER 26 H SER 26 3.424 -3.426 -9.212 203 HA SER 26 HA SER 26 2.505 -3.426 -6.451 204 HB2 SER 26 HB2 SER 26 4.724 -3.213 -5.419 205 HB3 SER 26 HB3 SER 26 4.465 -4.806 -6.134 206 HG SER 26 HG SER 26 5.730 -4.201 -7.885 207 H GLN 27 H GLN 27 2.712 -1.462 -5.361 208 HA GLN 27 HA GLN 27 3.834 0.886 -6.705 209 HB2 GLN 27 HB2 GLN 27 1.770 2.066 -7.027 210 HB3 GLN 27 HB3 GLN 27 1.662 0.517 -7.870 211 HG2 GLN 27 HG2 GLN 27 0.283 -0.392 -5.998 212 HG3 GLN 27 HG3 GLN 27 0.380 1.167 -5.188 213 HE21 GLN 27 HE21 GLN 27 -1.589 2.159 -5.379 214 HE22 GLN 27 HE22 GLN 27 -2.530 2.224 -6.883 215 H PHE 28 H PHE 28 3.940 2.745 -5.351 216 HA PHE 28 HA PHE 28 3.795 2.193 -2.491 217 HB2 PHE 28 HB2 PHE 28 5.713 3.296 -3.014 218 HB3 PHE 28 HB3 PHE 28 4.911 4.411 -4.127 219 HD1 PHE 28 HD1 PHE 28 3.802 6.433 -3.376 220 HD2 PHE 28 HD2 PHE 28 5.613 3.718 -0.551 221 HE1 PHE 28 HE1 PHE 28 3.609 8.154 -1.600 222 HE2 PHE 28 HE2 PHE 28 5.436 5.451 1.221 223 HZ PHE 28 HZ PHE 28 4.433 7.670 0.702 224 H GLU 29 H GLU 29 1.859 4.203 -4.634 225 HA GLU 29 HA GLU 29 0.384 5.461 -2.493 226 HB2 GLU 29 HB2 GLU 29 0.708 6.530 -4.629 227 HB3 GLU 29 HB3 GLU 29 -0.160 5.232 -5.473 228 HG2 GLU 29 HG2 GLU 29 -2.246 5.835 -4.339 229 HG3 GLU 29 HG3 GLU 29 -1.401 7.037 -3.356 230 H ARG 30 H ARG 30 -1.550 5.000 -1.589 231 HA ARG 30 HA ARG 30 -2.378 2.330 -1.316 232 HB2 ARG 30 HB2 ARG 30 -2.636 3.803 0.461 233 HB3 ARG 30 HB3 ARG 30 -3.474 5.004 -0.504 234 HG2 ARG 30 HG2 ARG 30 -4.859 3.902 1.189 235 HG3 ARG 30 HG3 ARG 30 -5.513 3.840 -0.458 236 HD2 ARG 30 HD2 ARG 30 -4.060 1.417 -0.060 237 HD3 ARG 30 HD3 ARG 30 -4.911 1.697 1.441 238 HE ARG 30 HE ARG 30 -6.116 1.356 -1.282 239 HH11 ARG 30 HH11 ARG 30 -6.798 1.575 2.171 240 HH12 ARG 30 HH12 ARG 30 -8.470 1.140 1.903 241 HH21 ARG 30 HH21 ARG 30 -8.159 0.918 -1.498 242 HH22 ARG 30 HH22 ARG 30 -9.184 0.587 -0.098 243 HA PRO 31 HA PRO 31 -4.573 2.014 -5.181 244 HB2 PRO 31 HB2 PRO 31 -5.354 -0.634 -5.071 245 HB3 PRO 31 HB3 PRO 31 -3.684 -0.088 -5.412 246 HG2 PRO 31 HG2 PRO 31 -4.835 -0.933 -2.723 247 HG3 PRO 31 HG3 PRO 31 -3.320 -1.489 -3.511 248 HD2 PRO 31 HD2 PRO 31 -3.273 0.437 -1.672 249 HD3 PRO 31 HD3 PRO 31 -2.263 0.594 -3.139 250 H SER 32 H SER 32 -6.588 2.267 -5.960 251 HA SER 32 HA SER 32 -8.949 1.939 -4.163 252 HB2 SER 32 HB2 SER 32 -10.031 3.574 -5.634 253 HB3 SER 32 HB3 SER 32 -8.538 4.210 -4.923 254 HG SER 32 HG SER 32 -8.689 4.656 -7.166 255 H GLY 33 H GLY 33 -7.497 0.510 -6.930 256 HA2 GLY 33 HA2 GLY 33 -9.304 -1.614 -7.224 257 HA3 GLY 33 HA3 GLY 33 -9.820 -0.389 -8.382 258 H1B XYP 101 H1 XYP 34 12.590 1.848 1.238 259 H2B XYP 101 H2 XYP 34 15.168 2.477 -0.299 260 H3B XYP 101 H3 XYP 34 12.327 3.525 -0.743 261 H4B XYP 101 H4 XYP 34 13.950 1.604 -2.487 262 H5B1 XYP 101 H5E XYP 34 12.327 -0.131 -1.832 263 H5B2 XYP 101 H5A XYP 34 11.465 1.021 -0.792 264 HO2B XYP 101 H2O XYP 34 14.752 3.585 1.756 265 HO3B XYP 101 H3O XYP 34 14.143 4.915 -1.323 266 HO4B XYP 101 H4O XYP 34 12.408 3.115 -3.452
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