NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
502750 | 2kuy | 16747 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LYS 1 HT1 LYS 1 -9.417 -16.843 -5.615 2 H2 LYS 1 HT2 LYS 1 -10.271 -17.664 -4.372 3 H3 LYS 1 HT3 LYS 1 -8.816 -18.325 -4.997 4 HA LYS 1 HA LYS 1 -8.446 -17.339 -2.881 5 HB2 LYS 1 HB2 LYS 1 -6.562 -15.970 -3.541 6 HB3 LYS 1 HB1 LYS 1 -6.723 -17.308 -4.669 7 HG2 LYS 1 HG2 LYS 1 -8.185 -14.951 -5.528 8 HG3 LYS 1 HG1 LYS 1 -6.459 -14.648 -5.319 9 HD2 LYS 1 HD2 LYS 1 -6.032 -15.684 -7.239 10 HD3 LYS 1 HD1 LYS 1 -6.785 -17.158 -6.625 11 HE2 LYS 1 HE2 LYS 1 -8.848 -16.640 -7.554 12 HE3 LYS 1 HE1 LYS 1 -8.475 -14.921 -7.670 13 HZ1 LYS 1 HZ1 LYS 1 -7.514 -15.187 -9.659 14 HZ2 LYS 1 HZ2 LYS 1 -8.361 -16.649 -9.722 15 HZ3 LYS 1 HZ3 LYS 1 -6.743 -16.630 -9.227 16 HA PRO 2 HA PRO 2 -10.896 -13.959 -1.450 17 HB2 PRO 2 HB2 PRO 2 -8.342 -13.050 -0.197 18 HB3 PRO 2 HB1 PRO 2 -9.941 -13.247 0.528 19 HG2 PRO 2 HG2 PRO 2 -8.038 -15.050 0.963 20 HG3 PRO 2 HG1 PRO 2 -9.720 -15.552 0.709 21 HD2 PRO 2 HD2 PRO 2 -7.392 -15.713 -1.147 22 HD3 PRO 2 HD1 PRO 2 -8.770 -16.816 -0.965 23 H ALA 3 HN ALA 3 -10.710 -11.481 -1.238 24 HA ALA 3 HA ALA 3 -8.855 -10.099 -2.893 25 HB1 ALA 3 HB1 ALA 3 -10.396 -11.311 -4.541 26 HB2 ALA 3 HB2 ALA 3 -10.133 -9.583 -4.779 27 HB3 ALA 3 HB3 ALA 3 -11.628 -10.153 -4.038 28 H TRP 4 HN TRP 4 -8.867 -9.017 -0.799 29 HA TRP 4 HA TRP 4 -11.135 -7.167 -0.488 30 HB2 TRP 4 HB2 TRP 4 -10.063 -6.959 1.905 31 HB3 TRP 4 HB1 TRP 4 -11.131 -8.304 1.521 32 HD1 TRP 4 HD1 TRP 4 -10.094 -10.723 1.520 33 HE1 TRP 4 HE1 TRP 4 -7.819 -11.668 2.266 34 HE3 TRP 4 HE3 TRP 4 -7.516 -6.336 2.003 35 HZ2 TRP 4 HZ2 TRP 4 -5.268 -10.681 2.967 36 HZ3 TRP 4 HZ3 TRP 4 -5.163 -6.424 2.717 37 HH2 TRP 4 HH2 TRP 4 -4.064 -8.552 3.188 38 H CYS 5 HN CYS 5 -7.698 -7.472 -0.868 39 HA CYS 5 HA CYS 5 -6.910 -4.903 -0.047 40 HB2 CYS 5 HB2 CYS 5 -5.725 -7.141 -1.478 41 HB3 CYS 5 HB1 CYS 5 -5.177 -5.593 -2.111 42 H TRP 6 HN TRP 6 -6.616 -5.815 -3.450 43 HA TRP 6 HA TRP 6 -6.844 -3.285 -4.480 44 HB2 TRP 6 HB2 TRP 6 -7.409 -4.320 -6.625 45 HB3 TRP 6 HB1 TRP 6 -6.101 -5.175 -5.814 46 HD1 TRP 6 HD1 TRP 6 -6.506 -7.641 -5.132 47 HE1 TRP 6 HE1 TRP 6 -8.394 -9.336 -5.615 48 HE3 TRP 6 HE3 TRP 6 -10.008 -4.411 -6.910 49 HZ2 TRP 6 HZ2 TRP 6 -11.043 -9.283 -6.620 50 HZ3 TRP 6 HZ3 TRP 6 -12.201 -5.295 -7.613 51 HH2 TRP 6 HH2 TRP 6 -12.705 -7.682 -7.468 52 H TYR 7 HN TYR 7 -9.385 -5.475 -3.511 53 HA TYR 7 HA TYR 7 -11.579 -4.274 -4.742 54 HB2 TYR 7 HB2 TYR 7 -11.381 -6.435 -3.251 55 HB3 TYR 7 HB1 TYR 7 -11.798 -5.332 -1.944 56 HD1 TYR 7 HD1 TYR 7 -13.052 -5.284 -5.437 57 HD2 TYR 7 HD2 TYR 7 -13.955 -6.048 -1.353 58 HE1 TYR 7 HE1 TYR 7 -15.432 -5.522 -6.015 59 HE2 TYR 7 HE2 TYR 7 -16.336 -6.290 -1.918 60 HH TYR 7 HH TYR 7 -17.447 -6.578 -5.120 61 H THR 8 HN THR 8 -10.089 -3.629 -1.606 62 HA THR 8 HA THR 8 -11.787 -1.592 -0.737 63 HB THR 8 HB THR 8 -8.883 -2.203 -0.194 64 HG1 THR 8 HG1 THR 8 -9.767 -2.793 1.830 65 HG21 THR 8 HG21 THR 8 -10.191 0.275 0.411 66 HG22 THR 8 HG22 THR 8 -8.534 -0.231 0.745 67 HG23 THR 8 HG23 THR 8 -9.820 -0.602 1.896 68 H LEU 9 HN LEU 9 -9.082 -1.574 -2.953 69 HA LEU 9 HA LEU 9 -8.952 1.298 -3.135 70 HB2 LEU 9 HB2 LEU 9 -7.657 -0.942 -4.669 71 HB3 LEU 9 HB1 LEU 9 -7.439 0.740 -5.111 72 HG LEU 9 HG LEU 9 -5.613 -0.302 -3.695 73 HD11 LEU 9 HD11 LEU 9 -6.157 1.844 -1.978 74 HD12 LEU 9 HD12 LEU 9 -6.862 2.277 -3.536 75 HD13 LEU 9 HD13 LEU 9 -5.154 1.852 -3.427 76 HD21 LEU 9 HD21 LEU 9 -7.606 0.066 -1.466 77 HD22 LEU 9 HD22 LEU 9 -5.971 -0.591 -1.362 78 HD23 LEU 9 HD23 LEU 9 -7.234 -1.495 -2.198 79 H ALA 10 HN ALA 10 -10.278 -1.332 -5.087 80 HA ALA 10 HA ALA 10 -10.944 -0.017 -7.401 81 HB1 ALA 10 HB1 ALA 10 -13.117 -1.736 -6.588 82 HB2 ALA 10 HB2 ALA 10 -11.552 -2.479 -6.261 83 HB3 ALA 10 HB3 ALA 10 -11.948 -1.939 -7.892 84 H MET 11 HN MET 11 -12.944 -0.247 -4.459 85 HA MET 11 HA MET 11 -15.040 1.374 -5.431 86 HB2 MET 11 HB2 MET 11 -14.405 -0.014 -3.014 87 HB3 MET 11 HB1 MET 11 -14.896 1.624 -2.604 88 HG2 MET 11 HG2 MET 11 -16.805 0.952 -4.404 89 HG3 MET 11 HG1 MET 11 -16.471 -0.613 -3.658 90 HE1 MET 11 HE1 MET 11 -18.622 -0.952 -1.252 91 HE2 MET 11 HE2 MET 11 -18.486 -1.021 -3.010 92 HE3 MET 11 HE3 MET 11 -19.651 0.069 -2.257 93 H CYS 12 HN CYS 12 -11.949 2.113 -4.066 94 HA CYS 12 HA CYS 12 -12.402 4.685 -3.081 95 HB2 CYS 12 HB2 CYS 12 -10.187 3.028 -3.450 96 HB3 CYS 12 HB1 CYS 12 -9.828 4.461 -4.407 97 H GLY 13 HN GLY 13 -10.858 3.931 -6.209 98 HA2 GLY 13 HA2 GLY 13 -11.731 4.843 -8.278 99 HA3 GLY 13 HA1 GLY 13 -12.309 6.226 -7.361 100 H ALA 14 HN ALA 14 -10.402 7.342 -6.104 101 HA ALA 14 HA ALA 14 -7.807 7.281 -7.191 102 HB1 ALA 14 HB1 ALA 14 -8.039 9.615 -8.312 103 HB2 ALA 14 HB2 ALA 14 -9.738 9.169 -8.468 104 HB3 ALA 14 HB3 ALA 14 -8.491 8.167 -9.211 105 H GLY 15 HN GLY 15 -8.800 7.382 -4.623 106 HA2 GLY 15 HA2 GLY 15 -8.425 10.145 -3.713 107 HA3 GLY 15 HA1 GLY 15 -9.052 8.818 -2.748 108 H TYR 16 HN TYR 16 -6.971 10.677 -2.029 109 HA TYR 16 HA TYR 16 -4.747 8.775 -1.702 110 HB2 TYR 16 HB2 TYR 16 -4.732 11.599 -2.584 111 HB3 TYR 16 HB1 TYR 16 -3.483 11.143 -1.431 112 HD1 TYR 16 HD1 TYR 16 -5.039 9.496 -4.408 113 HD2 TYR 16 HD2 TYR 16 -1.463 10.734 -2.466 114 HE1 TYR 16 HE1 TYR 16 -3.717 8.531 -6.242 115 HE2 TYR 16 HE2 TYR 16 -0.130 9.774 -4.295 116 HH TYR 16 HH TYR 16 -0.657 9.259 -6.884 117 H ASP 17 HN ASP 17 -7.170 9.725 -0.027 118 HA ASP 17 HA ASP 17 -6.070 9.375 2.490 119 HB2 ASP 17 HB2 ASP 17 -6.386 11.769 3.358 120 HB3 ASP 17 HB1 ASP 17 -4.937 11.442 2.412 121 H SER 18 HN SER 18 -7.923 8.139 2.727 122 HA SER 18 HA SER 18 -10.373 9.690 3.207 123 HB2 SER 18 HB2 SER 18 -9.974 7.628 1.219 124 HB3 SER 18 HB1 SER 18 -11.227 7.155 2.366 125 H GLY 19 HN GLY 19 -9.729 6.202 3.411 126 HA2 GLY 19 HA2 GLY 19 -9.395 6.206 6.248 127 HA3 GLY 19 HA1 GLY 19 -11.034 5.764 5.799 128 H THR 20 HN THR 20 -11.258 3.935 4.265 129 HA THR 20 HA THR 20 -9.852 1.683 5.197 130 HB THR 20 HB THR 20 -11.209 1.571 2.553 131 HG1 THR 20 HG1 THR 20 -13.209 1.845 3.450 132 HG21 THR 20 HG21 THR 20 -11.763 -0.083 4.989 133 HG22 THR 20 HG22 THR 20 -10.428 -0.442 3.893 134 HG23 THR 20 HG23 THR 20 -12.088 -0.461 3.297 135 H CYS 21 HN CYS 21 -9.751 3.287 2.018 136 HA CYS 21 HA CYS 21 -7.812 1.732 0.821 137 HB2 CYS 21 HB2 CYS 21 -8.115 4.719 0.466 138 HB3 CYS 21 HB1 CYS 21 -7.427 3.581 -0.689 139 H ASP 22 HN ASP 22 -7.140 4.950 2.209 140 HA ASP 22 HA ASP 22 -4.421 4.906 2.152 141 HB2 ASP 22 HB2 ASP 22 -6.310 6.569 3.248 142 HB3 ASP 22 HB1 ASP 22 -5.439 6.009 4.673 143 H TYR 23 HN TYR 23 -6.475 3.107 4.305 144 HA TYR 23 HA TYR 23 -4.230 2.365 6.009 145 HB2 TYR 23 HB2 TYR 23 -6.691 2.835 6.768 146 HB3 TYR 23 HB1 TYR 23 -6.966 1.169 6.266 147 HD1 TYR 23 HD1 TYR 23 -4.063 2.763 7.984 148 HD2 TYR 23 HD2 TYR 23 -7.204 -0.099 8.194 149 HE1 TYR 23 HE1 TYR 23 -3.190 1.974 10.144 150 HE2 TYR 23 HE2 TYR 23 -6.340 -0.896 10.356 151 HH TYR 23 HH TYR 23 -4.087 -0.901 11.549 152 H MET 24 HN MET 24 -6.806 0.416 4.485 153 HA MET 24 HA MET 24 -5.480 -1.991 4.518 154 HB2 MET 24 HB2 MET 24 -7.734 -0.812 3.014 155 HB3 MET 24 HB1 MET 24 -7.016 -2.255 2.327 156 HG2 MET 24 HG2 MET 24 -8.902 -2.806 3.752 157 HG3 MET 24 HG1 MET 24 -7.400 -3.455 4.412 158 HE1 MET 24 HE1 MET 24 -10.223 -2.685 6.745 159 HE2 MET 24 HE2 MET 24 -10.435 -2.401 5.017 160 HE3 MET 24 HE3 MET 24 -10.535 -1.054 6.151 161 H TYR 25 HN TYR 25 -5.503 0.486 1.972 162 HA TYR 25 HA TYR 25 -4.039 -0.892 0.040 163 HB2 TYR 25 HB2 TYR 25 -5.218 1.359 -0.168 164 HB3 TYR 25 HB1 TYR 25 -3.786 2.068 0.556 165 HD1 TYR 25 HD1 TYR 25 -4.127 -0.640 -1.988 166 HD2 TYR 25 HD2 TYR 25 -2.727 3.281 -1.115 167 HE1 TYR 25 HE1 TYR 25 -3.063 -0.534 -4.202 168 HE2 TYR 25 HE2 TYR 25 -1.660 3.399 -3.327 169 HH TYR 25 HH TYR 25 -1.027 2.186 -5.138 170 H SER 26 HN SER 26 -2.764 1.620 2.211 171 HA SER 26 HA SER 26 -0.087 1.321 1.755 172 HB2 SER 26 HB2 SER 26 -1.622 2.089 4.210 173 HB3 SER 26 HB1 SER 26 0.133 1.950 4.285 174 HG SER 26 HG SER 26 -0.991 4.064 3.637 175 H HIS 27 HN HIS 27 -1.923 -0.403 4.283 176 HA HIS 27 HA HIS 27 0.185 -2.004 5.186 177 HB2 HIS 27 HB2 HIS 27 -2.770 -2.063 5.391 178 HB3 HIS 27 HB1 HIS 27 -1.944 -3.589 5.684 179 HD1 HIS 27 HD1 HIS 27 -2.513 -0.218 7.145 180 HD2 HIS 27 HD2 HIS 27 -0.328 -3.648 8.001 181 HE1 HIS 27 HE1 HIS 27 -1.743 0.051 9.524 182 HE2 HIS 27 HE2 HIS 27 -0.352 -1.996 9.990 183 H CYS 28 HN CYS 28 -2.090 -2.438 2.539 184 HA CYS 28 HA CYS 28 -1.714 -5.101 1.927 185 HB2 CYS 28 HB2 CYS 28 -3.256 -3.377 0.808 186 HB3 CYS 28 HB1 CYS 28 -1.874 -2.980 -0.207 187 H PHE 29 HN PHE 29 0.395 -2.376 1.326 188 HA PHE 29 HA PHE 29 2.322 -4.160 0.012 189 HB2 PHE 29 HB2 PHE 29 1.703 -1.270 -0.264 190 HB3 PHE 29 HB1 PHE 29 3.388 -1.749 -0.442 191 HD1 PHE 29 HD2 PHE 29 3.743 -3.849 -2.028 192 HD2 PHE 29 HD1 PHE 29 0.398 -1.221 -2.147 193 HE1 PHE 29 HE2 PHE 29 3.309 -4.512 -4.357 194 HE2 PHE 29 HE1 PHE 29 -0.042 -1.879 -4.476 195 HZ PHE 29 HZ PHE 29 1.419 -3.520 -5.587 196 H GLY 30 HN GLY 30 2.573 -1.193 1.915 197 HA2 GLY 30 HA2 GLY 30 3.869 -0.648 3.734 198 HA3 GLY 30 HA1 GLY 30 3.853 -2.357 4.140 199 H ILE 31 HN ILE 31 6.067 -0.699 4.577 200 HA ILE 31 HA ILE 31 8.031 -2.069 2.906 201 HB ILE 31 HB ILE 31 9.359 0.069 2.722 202 HG12 ILE 31 HG12 ILE 31 7.946 1.266 4.456 203 HG13 ILE 31 HG11 ILE 31 8.280 2.176 2.986 204 HG21 ILE 31 HG21 ILE 31 8.002 -1.020 0.892 205 HG22 ILE 31 HG22 ILE 31 8.337 0.700 0.687 206 HG23 ILE 31 HG23 ILE 31 6.748 0.171 1.236 207 HD11 ILE 31 HD11 ILE 31 6.117 2.483 2.683 208 HD12 ILE 31 HD12 ILE 31 5.785 1.580 4.162 209 HD13 ILE 31 HD13 ILE 31 5.861 0.740 2.613 210 H LYS 32 HN LYS 32 7.791 -3.050 5.233 211 HA LYS 32 HA LYS 32 8.599 -3.358 7.347 212 HB2 LYS 32 HB2 LYS 32 11.207 -2.223 6.440 213 HB3 LYS 32 HB1 LYS 32 10.879 -3.674 7.374 214 HG2 LYS 32 HG2 LYS 32 11.337 -4.766 5.487 215 HG3 LYS 32 HG1 LYS 32 9.718 -4.278 4.982 216 HD2 LYS 32 HD2 LYS 32 10.784 -2.174 4.061 217 HD3 LYS 32 HD1 LYS 32 12.344 -2.956 4.333 218 HE2 LYS 32 HE2 LYS 32 11.899 -4.640 2.765 219 HE3 LYS 32 HE1 LYS 32 10.171 -4.293 2.753 220 HZ1 LYS 32 HZ1 LYS 32 12.363 -2.794 1.472 221 HZ2 LYS 32 HZ2 LYS 32 10.899 -2.027 1.832 222 HZ3 LYS 32 HZ3 LYS 32 10.921 -3.360 0.791 223 H HIS 33 HN HIS 33 7.204 -1.047 7.380 224 HA HIS 33 HA HIS 33 8.839 0.658 9.134 225 HB2 HIS 33 HB2 HIS 33 7.629 1.403 6.657 226 HB3 HIS 33 HB1 HIS 33 6.790 2.245 7.956 227 HD1 HIS 33 HD1 HIS 33 10.500 1.480 7.607 228 HD2 HIS 33 HD2 HIS 33 7.910 4.713 7.935 229 HE1 HIS 33 HE1 HIS 33 11.976 3.511 7.759 230 HE2 HIS 33 HE2 HIS 33 10.386 5.461 7.896 231 H HIS 34 HN HIS 34 7.022 -1.533 9.752 232 HA HIS 34 HA HIS 34 4.671 -0.239 10.875 233 HB2 HIS 34 HB2 HIS 34 5.518 -3.134 11.082 234 HB3 HIS 34 HB1 HIS 34 3.929 -2.471 11.452 235 HD1 HIS 34 HD1 HIS 34 5.250 -4.501 9.040 236 HD2 HIS 34 HD2 HIS 34 3.180 -0.907 8.779 237 HE1 HIS 34 HE1 HIS 34 4.291 -4.445 6.716 238 HE2 HIS 34 HE2 HIS 34 3.107 -2.227 6.556 239 H SER 35 HN SER 35 4.140 -0.332 13.115 240 HA SER 35 HA SER 35 6.147 0.453 14.853 241 HB2 SER 35 HB2 SER 35 4.517 0.139 16.655 242 HB3 SER 35 HB1 SER 35 3.744 0.867 15.248 243 HG SER 35 HG SER 35 3.140 -1.423 16.495 244 H SER 36 HN SER 36 7.917 -0.861 14.971 245 HA SER 36 HA SER 36 7.820 -3.055 16.760 246 HB2 SER 36 HB2 SER 36 7.632 -3.640 13.881 247 HB3 SER 36 HB1 SER 36 8.908 -4.522 14.719 248 HG SER 36 HG SER 36 6.188 -4.417 15.527 249 H GLY 37 HN GLY 37 9.769 -2.165 13.900 250 HA2 GLY 37 HA2 GLY 37 11.830 -0.839 15.085 251 HA3 GLY 37 HA1 GLY 37 12.222 -2.530 15.363 252 H SER 38 HN SER 38 13.798 -0.733 13.847 253 HA SER 38 HA SER 38 13.348 -0.996 11.067 254 HB2 SER 38 HB2 SER 38 15.473 0.032 12.810 255 HB3 SER 38 HB1 SER 38 16.068 -0.649 11.296 256 HG SER 38 HG SER 38 15.205 0.956 10.236 257 H SER 39 HN SER 39 15.495 -1.949 9.834 258 HA SER 39 HA SER 39 15.196 -4.785 10.110 259 HB2 SER 39 HB2 SER 39 16.758 -2.996 8.267 260 HB3 SER 39 HB1 SER 39 17.037 -4.738 8.273 261 HG SER 39 HG SER 39 15.401 -3.892 6.759 262 H SER 40 HN SER 40 18.093 -2.699 10.171 263 HA SER 40 HA SER 40 19.136 -4.095 12.464 264 HB2 SER 40 HB2 SER 40 21.115 -4.992 11.435 265 HB3 SER 40 HB1 SER 40 19.727 -5.583 10.521 266 HG SER 40 HG SER 40 21.604 -4.678 9.314 267 H TYR 41 HN TYR 41 18.737 -1.733 12.949 268 HA TYR 41 HA TYR 41 20.965 -0.043 12.049 269 HB2 TYR 41 HB2 TYR 41 18.408 0.625 11.970 270 HB3 TYR 41 HB1 TYR 41 18.689 1.034 13.659 271 HD1 TYR 41 HD2 TYR 41 20.795 2.553 14.098 272 HD2 TYR 41 HD1 TYR 41 18.808 2.227 10.350 273 HE1 TYR 41 HE2 TYR 41 21.735 4.721 13.419 274 HE2 TYR 41 HE1 TYR 41 19.744 4.395 9.659 275 HH TYR 41 HH TYR 41 21.847 5.788 10.319 276 H HIS 42 HN HIS 42 22.336 0.949 13.502 277 HA HIS 42 HA HIS 42 23.642 1.052 15.365 278 HB2 HIS 42 HB2 HIS 42 21.159 1.994 16.026 279 HB3 HIS 42 HB1 HIS 42 21.410 0.763 17.259 280 HD1 HIS 42 HD1 HIS 42 24.090 1.043 18.275 281 HD2 HIS 42 HD2 HIS 42 22.009 4.380 16.934 282 HE1 HIS 42 HE1 HIS 42 25.209 3.016 19.363 283 HE2 HIS 42 HE2 HIS 42 23.902 5.021 18.575 284 H CYS 43 HN CYS 43 24.588 -1.010 15.008 285 HA CYS 43 HA CYS 43 23.540 -3.438 15.945 286 HB2 CYS 43 HB2 CYS 43 25.364 -3.366 14.335 287 HB3 CYS 43 HB1 CYS 43 26.419 -2.609 15.523 288 H1 NAG 44 H1 NAG 44 -11.954 7.328 -0.095 289 H2 NAG 44 H2 NAG 44 -14.039 9.129 1.037 290 H3 NAG 44 H3 NAG 44 -14.157 8.098 -1.834 291 H4 NAG 44 H4 NAG 44 -14.680 10.913 -0.800 292 H5 NAG 44 H5 NAG 44 -12.216 11.026 -2.065 293 H61 NAG 44 H61 NAG 44 -13.092 10.972 0.815 294 H62 NAG 44 H62 NAG 44 -11.354 10.923 0.454 295 H81 NAG 44 H81 NAG 44 -15.265 4.824 1.226 296 H82 NAG 44 H82 NAG 44 -15.074 4.146 -0.416 297 H83 NAG 44 H83 NAG 44 -13.723 4.062 0.747 298 HN2 NAG 44 HN2 NAG 44 -14.717 6.968 1.534 299 HO3 NAG 44 HO3 NAG 44 -16.128 7.788 -0.708 300 HO4 NAG 44 HO4 NAG 44 -15.335 10.745 -2.866 301 HO6 NAG 44 HO6 NAG 44 -12.865 12.827 -0.946 302 H1 NAG 45 H1 NAG 45 27.805 -4.399 14.266 303 H2 NAG 45 H2 NAG 45 28.468 -6.881 15.912 304 H3 NAG 45 H3 NAG 45 30.091 -5.354 13.826 305 H4 NAG 45 H4 NAG 45 28.872 -8.159 13.750 306 H5 NAG 45 H5 NAG 45 28.155 -5.639 12.176 307 H61 NAG 45 H61 NAG 45 26.497 -8.148 12.254 308 H62 NAG 45 H62 NAG 45 27.917 -8.109 11.186 309 H81 NAG 45 H81 NAG 45 31.407 -3.310 17.303 310 H82 NAG 45 H82 NAG 45 30.490 -1.919 16.663 311 H83 NAG 45 H83 NAG 45 29.780 -2.945 17.941 312 HN2 NAG 45 HN2 NAG 45 29.454 -5.307 17.301 313 HO3 NAG 45 HO3 NAG 45 31.694 -6.582 14.506 314 HO4 NAG 45 HO4 NAG 45 30.150 -8.401 12.072 315 HO6 NAG 45 HO6 NAG 45 26.982 -6.573 9.972 Start of MODEL 2 1 H1 LYS 1 HT1 LYS 1 -4.834 -17.280 2.841 2 H2 LYS 1 HT2 LYS 1 -6.318 -16.963 3.642 3 H3 LYS 1 HT3 LYS 1 -4.918 -17.362 4.551 4 HA LYS 1 HA LYS 1 -5.270 -15.072 4.733 5 HB2 LYS 1 HB2 LYS 1 -2.955 -16.215 4.101 6 HB3 LYS 1 HB1 LYS 1 -3.119 -15.211 2.667 7 HG2 LYS 1 HG2 LYS 1 -3.222 -13.219 4.017 8 HG3 LYS 1 HG1 LYS 1 -3.208 -14.184 5.495 9 HD2 LYS 1 HD2 LYS 1 -0.980 -14.802 5.216 10 HD3 LYS 1 HD1 LYS 1 -0.990 -14.416 3.494 11 HE2 LYS 1 HE2 LYS 1 -1.096 -12.052 3.987 12 HE3 LYS 1 HE1 LYS 1 -1.220 -12.387 5.713 13 HZ1 LYS 1 HZ1 LYS 1 1.071 -13.640 4.589 14 HZ2 LYS 1 HZ2 LYS 1 0.974 -12.535 5.866 15 HZ3 LYS 1 HZ3 LYS 1 1.086 -11.977 4.274 16 HA PRO 2 HA PRO 2 -7.858 -13.905 1.113 17 HB2 PRO 2 HB2 PRO 2 -8.473 -11.732 3.047 18 HB3 PRO 2 HB1 PRO 2 -9.570 -12.718 2.074 19 HG2 PRO 2 HG2 PRO 2 -9.311 -13.147 4.691 20 HG3 PRO 2 HG1 PRO 2 -9.499 -14.498 3.557 21 HD2 PRO 2 HD2 PRO 2 -7.043 -13.511 4.941 22 HD3 PRO 2 HD1 PRO 2 -7.534 -15.174 4.563 23 H ALA 3 HN ALA 3 -7.664 -12.220 -0.364 24 HA ALA 3 HA ALA 3 -5.745 -10.089 0.236 25 HB1 ALA 3 HB1 ALA 3 -5.371 -12.271 -1.694 26 HB2 ALA 3 HB2 ALA 3 -4.182 -11.247 -0.891 27 HB3 ALA 3 HB3 ALA 3 -5.035 -10.656 -2.317 28 H TRP 4 HN TRP 4 -7.755 -8.860 0.315 29 HA TRP 4 HA TRP 4 -8.867 -8.302 -2.350 30 HB2 TRP 4 HB2 TRP 4 -10.730 -7.214 -0.871 31 HB3 TRP 4 HB1 TRP 4 -10.704 -8.955 -1.107 32 HD1 TRP 4 HD1 TRP 4 -10.002 -10.462 0.995 33 HE1 TRP 4 HE1 TRP 4 -9.986 -9.972 3.523 34 HE3 TRP 4 HE3 TRP 4 -10.319 -5.372 0.824 35 HZ2 TRP 4 HZ2 TRP 4 -10.095 -7.716 5.219 36 HZ3 TRP 4 HZ3 TRP 4 -10.360 -4.117 2.941 37 HH2 TRP 4 HH2 TRP 4 -10.250 -5.267 5.093 38 H CYS 5 HN CYS 5 -6.402 -7.175 -1.397 39 HA CYS 5 HA CYS 5 -6.573 -4.649 -0.287 40 HB2 CYS 5 HB2 CYS 5 -4.689 -5.444 -2.514 41 HB3 CYS 5 HB1 CYS 5 -4.437 -4.179 -1.317 42 H TRP 6 HN TRP 6 -6.174 -5.205 -3.793 43 HA TRP 6 HA TRP 6 -6.828 -2.679 -4.639 44 HB2 TRP 6 HB2 TRP 6 -7.202 -3.576 -6.808 45 HB3 TRP 6 HB1 TRP 6 -5.944 -4.552 -6.056 46 HD1 TRP 6 HD1 TRP 6 -6.624 -7.029 -5.290 47 HE1 TRP 6 HE1 TRP 6 -8.479 -8.613 -6.138 48 HE3 TRP 6 HE3 TRP 6 -9.536 -3.605 -7.666 49 HZ2 TRP 6 HZ2 TRP 6 -10.882 -8.410 -7.629 50 HZ3 TRP 6 HZ3 TRP 6 -11.601 -4.362 -8.783 51 HH2 TRP 6 HH2 TRP 6 -12.257 -6.716 -8.762 52 H TYR 7 HN TYR 7 -8.932 -5.235 -3.579 53 HA TYR 7 HA TYR 7 -11.382 -4.356 -4.580 54 HB2 TYR 7 HB2 TYR 7 -10.494 -6.295 -2.721 55 HB3 TYR 7 HB1 TYR 7 -11.697 -5.320 -1.882 56 HD1 TYR 7 HD1 TYR 7 -11.574 -6.209 -5.481 57 HD2 TYR 7 HD2 TYR 7 -13.545 -6.757 -1.753 58 HE1 TYR 7 HE1 TYR 7 -13.362 -7.460 -6.618 59 HE2 TYR 7 HE2 TYR 7 -15.340 -8.009 -2.877 60 HH TYR 7 HH TYR 7 -16.305 -8.308 -5.033 61 H THR 8 HN THR 8 -9.739 -3.561 -1.545 62 HA THR 8 HA THR 8 -11.612 -1.782 -0.502 63 HB THR 8 HB THR 8 -8.612 -1.969 -0.219 64 HG1 THR 8 HG1 THR 8 -10.825 -2.660 1.395 65 HG21 THR 8 HG21 THR 8 -9.585 -0.557 1.981 66 HG22 THR 8 HG22 THR 8 -10.229 0.269 0.561 67 HG23 THR 8 HG23 THR 8 -8.490 0.025 0.728 68 H LEU 9 HN LEU 9 -9.092 -1.354 -2.900 69 HA LEU 9 HA LEU 9 -9.301 1.488 -3.058 70 HB2 LEU 9 HB2 LEU 9 -8.111 -0.600 -4.870 71 HB3 LEU 9 HB1 LEU 9 -8.103 1.105 -5.279 72 HG LEU 9 HG LEU 9 -5.992 0.160 -4.219 73 HD11 LEU 9 HD11 LEU 9 -7.229 2.483 -2.761 74 HD12 LEU 9 HD12 LEU 9 -6.610 2.583 -4.408 75 HD13 LEU 9 HD13 LEU 9 -5.519 2.188 -3.080 76 HD21 LEU 9 HD21 LEU 9 -7.718 0.294 -1.747 77 HD22 LEU 9 HD22 LEU 9 -5.979 0.001 -1.784 78 HD23 LEU 9 HD23 LEU 9 -7.087 -1.177 -2.491 79 H ALA 10 HN ALA 10 -10.668 -1.197 -4.923 80 HA ALA 10 HA ALA 10 -11.941 0.376 -6.887 81 HB1 ALA 10 HB1 ALA 10 -12.408 -1.616 -7.751 82 HB2 ALA 10 HB2 ALA 10 -13.401 -2.043 -6.357 83 HB3 ALA 10 HB3 ALA 10 -11.666 -2.354 -6.332 84 H MET 11 HN MET 11 -13.205 -1.096 -3.899 85 HA MET 11 HA MET 11 -15.812 -0.050 -4.148 86 HB2 MET 11 HB2 MET 11 -16.163 -0.771 -1.900 87 HB3 MET 11 HB1 MET 11 -15.117 -1.957 -2.667 88 HG2 MET 11 HG2 MET 11 -13.820 -1.742 -0.874 89 HG3 MET 11 HG1 MET 11 -13.325 -0.194 -1.562 90 HE1 MET 11 HE1 MET 11 -15.912 -1.005 2.073 91 HE2 MET 11 HE2 MET 11 -14.280 -1.622 1.811 92 HE3 MET 11 HE3 MET 11 -15.594 -2.120 0.743 93 H CYS 12 HN CYS 12 -12.842 1.360 -3.103 94 HA CYS 12 HA CYS 12 -13.587 3.319 -1.337 95 HB2 CYS 12 HB2 CYS 12 -11.334 2.761 -2.875 96 HB3 CYS 12 HB1 CYS 12 -11.793 4.390 -3.358 97 H GLY 13 HN GLY 13 -13.683 5.744 -1.856 98 HA2 GLY 13 HA2 GLY 13 -15.928 6.122 -3.669 99 HA3 GLY 13 HA1 GLY 13 -15.318 7.290 -2.508 100 H ALA 14 HN ALA 14 -13.834 5.552 -5.245 101 HA ALA 14 HA ALA 14 -12.797 6.307 -7.130 102 HB1 ALA 14 HB1 ALA 14 -13.499 8.277 -8.147 103 HB2 ALA 14 HB2 ALA 14 -13.798 9.082 -6.606 104 HB3 ALA 14 HB3 ALA 14 -14.887 7.813 -7.165 105 H GLY 15 HN GLY 15 -12.675 9.178 -5.013 106 HA2 GLY 15 HA2 GLY 15 -9.943 9.688 -5.560 107 HA3 GLY 15 HA1 GLY 15 -10.885 10.409 -4.263 108 H TYR 16 HN TYR 16 -8.476 10.066 -3.481 109 HA TYR 16 HA TYR 16 -8.399 7.493 -2.046 110 HB2 TYR 16 HB2 TYR 16 -5.869 8.022 -1.910 111 HB3 TYR 16 HB1 TYR 16 -6.519 7.428 -3.434 112 HD1 TYR 16 HD2 TYR 16 -5.209 10.376 -1.669 113 HD2 TYR 16 HD1 TYR 16 -6.582 8.833 -5.388 114 HE1 TYR 16 HE2 TYR 16 -4.293 12.347 -2.818 115 HE2 TYR 16 HE1 TYR 16 -5.669 10.799 -6.548 116 HH TYR 16 HH TYR 16 -4.793 13.590 -5.024 117 H ASP 17 HN ASP 17 -6.903 7.719 -0.024 118 HA ASP 17 HA ASP 17 -6.653 8.542 2.080 119 HB2 ASP 17 HB2 ASP 17 -5.507 10.368 0.745 120 HB3 ASP 17 HB1 ASP 17 -7.007 11.283 0.863 121 H SER 18 HN SER 18 -8.930 7.533 2.130 122 HA SER 18 HA SER 18 -10.795 9.581 3.127 123 HB2 SER 18 HB2 SER 18 -11.222 7.463 1.126 124 HB3 SER 18 HB1 SER 18 -12.467 7.558 2.371 125 H GLY 19 HN GLY 19 -9.778 6.188 3.299 126 HA2 GLY 19 HA2 GLY 19 -9.811 6.114 6.110 127 HA3 GLY 19 HA1 GLY 19 -11.328 5.452 5.522 128 H THR 20 HN THR 20 -11.287 3.546 4.228 129 HA THR 20 HA THR 20 -9.393 1.633 5.105 130 HB THR 20 HB THR 20 -11.040 1.112 2.679 131 HG1 THR 20 HG1 THR 20 -12.905 0.966 3.933 132 HG21 THR 20 HG21 THR 20 -10.960 -1.010 3.324 133 HG22 THR 20 HG22 THR 20 -11.374 -0.609 4.991 134 HG23 THR 20 HG23 THR 20 -9.700 -0.499 4.446 135 H CYS 21 HN CYS 21 -9.714 3.546 2.183 136 HA CYS 21 HA CYS 21 -8.031 2.224 0.454 137 HB2 CYS 21 HB2 CYS 21 -9.015 4.953 0.757 138 HB3 CYS 21 HB1 CYS 21 -7.426 4.888 0.002 139 H ASP 22 HN ASP 22 -6.979 5.023 2.400 140 HA ASP 22 HA ASP 22 -4.250 4.632 1.996 141 HB2 ASP 22 HB2 ASP 22 -5.766 6.555 3.195 142 HB3 ASP 22 HB1 ASP 22 -4.979 5.821 4.588 143 H TYR 23 HN TYR 23 -6.423 3.089 4.223 144 HA TYR 23 HA TYR 23 -4.315 2.082 5.919 145 HB2 TYR 23 HB2 TYR 23 -6.557 2.564 6.830 146 HB3 TYR 23 HB1 TYR 23 -7.239 1.312 5.798 147 HD1 TYR 23 HD1 TYR 23 -4.721 1.818 8.497 148 HD2 TYR 23 HD2 TYR 23 -7.408 -0.871 6.588 149 HE1 TYR 23 HE1 TYR 23 -4.283 0.147 10.248 150 HE2 TYR 23 HE2 TYR 23 -6.980 -2.548 8.334 151 HH TYR 23 HH TYR 23 -6.060 -2.206 11.032 152 H MET 24 HN MET 24 -6.851 0.269 4.204 153 HA MET 24 HA MET 24 -5.588 -2.167 4.134 154 HB2 MET 24 HB2 MET 24 -7.877 -0.977 2.937 155 HB3 MET 24 HB1 MET 24 -7.014 -1.856 1.682 156 HG2 MET 24 HG2 MET 24 -7.376 -3.273 4.239 157 HG3 MET 24 HG1 MET 24 -8.836 -2.968 3.298 158 HE1 MET 24 HE1 MET 24 -6.077 -5.913 3.583 159 HE2 MET 24 HE2 MET 24 -5.431 -4.273 3.558 160 HE3 MET 24 HE3 MET 24 -5.157 -5.350 2.188 161 H TYR 25 HN TYR 25 -5.548 0.295 1.555 162 HA TYR 25 HA TYR 25 -3.923 -1.003 -0.257 163 HB2 TYR 25 HB2 TYR 25 -5.134 1.279 -0.419 164 HB3 TYR 25 HB1 TYR 25 -3.650 1.948 0.243 165 HD1 TYR 25 HD1 TYR 25 -4.042 -0.838 -2.191 166 HD2 TYR 25 HD2 TYR 25 -2.762 3.168 -1.548 167 HE1 TYR 25 HE1 TYR 25 -3.072 -0.792 -4.449 168 HE2 TYR 25 HE2 TYR 25 -1.789 3.226 -3.806 169 HH TYR 25 HH TYR 25 -0.871 1.276 -5.465 170 H SER 26 HN SER 26 -2.765 1.515 1.981 171 HA SER 26 HA SER 26 -0.059 1.133 1.620 172 HB2 SER 26 HB2 SER 26 -1.288 2.942 2.978 173 HB3 SER 26 HB1 SER 26 -1.208 1.804 4.323 174 HG SER 26 HG SER 26 0.574 3.255 4.282 175 H HIS 27 HN HIS 27 -1.926 -0.167 4.373 176 HA HIS 27 HA HIS 27 -0.021 -1.745 5.525 177 HB2 HIS 27 HB2 HIS 27 -2.666 -1.368 5.955 178 HB3 HIS 27 HB1 HIS 27 -2.685 -3.015 5.334 179 HD1 HIS 27 HD1 HIS 27 -2.129 -1.107 8.369 180 HD2 HIS 27 HD2 HIS 27 -0.949 -4.806 6.891 181 HE1 HIS 27 HE1 HIS 27 -1.334 -2.406 10.369 182 HE2 HIS 27 HE2 HIS 27 -0.569 -4.621 9.443 183 H CYS 28 HN CYS 28 -2.148 -2.674 2.832 184 HA CYS 28 HA CYS 28 -1.421 -5.320 2.557 185 HB2 CYS 28 HB2 CYS 28 -3.215 -4.246 1.255 186 HB3 CYS 28 HB1 CYS 28 -2.009 -3.363 0.325 187 H PHE 29 HN PHE 29 0.347 -2.450 1.632 188 HA PHE 29 HA PHE 29 2.544 -4.174 0.689 189 HB2 PHE 29 HB2 PHE 29 1.310 -1.805 -0.516 190 HB3 PHE 29 HB1 PHE 29 3.065 -1.699 -0.407 191 HD1 PHE 29 HD1 PHE 29 0.296 -3.823 -1.658 192 HD2 PHE 29 HD2 PHE 29 4.428 -2.839 -1.919 193 HE1 PHE 29 HE1 PHE 29 0.500 -5.230 -3.666 194 HE2 PHE 29 HE2 PHE 29 4.639 -4.244 -3.927 195 HZ PHE 29 HZ PHE 29 2.675 -5.442 -4.804 196 H GLY 30 HN GLY 30 2.082 -3.372 3.407 197 HA2 GLY 30 HA2 GLY 30 3.976 -1.237 3.941 198 HA3 GLY 30 HA1 GLY 30 3.018 -2.102 5.130 199 H ILE 31 HN ILE 31 4.657 -4.106 2.902 200 HA ILE 31 HA ILE 31 7.090 -4.312 4.452 201 HB ILE 31 HB ILE 31 6.655 -6.874 4.660 202 HG12 ILE 31 HG12 ILE 31 3.850 -5.750 4.541 203 HG13 ILE 31 HG11 ILE 31 4.542 -6.998 3.509 204 HG21 ILE 31 HG21 ILE 31 6.221 -6.578 6.905 205 HG22 ILE 31 HG22 ILE 31 5.111 -5.238 6.623 206 HG23 ILE 31 HG23 ILE 31 6.849 -4.996 6.450 207 HD11 ILE 31 HD11 ILE 31 4.861 -8.056 6.010 208 HD12 ILE 31 HD12 ILE 31 3.550 -8.430 4.891 209 HD13 ILE 31 HD13 ILE 31 3.321 -7.206 6.141 210 H LYS 32 HN LYS 32 7.656 -3.606 2.219 211 HA LYS 32 HA LYS 32 8.493 -5.905 0.682 212 HB2 LYS 32 HB2 LYS 32 6.095 -4.792 -0.037 213 HB3 LYS 32 HB1 LYS 32 7.220 -3.911 -1.062 214 HG2 LYS 32 HG2 LYS 32 7.666 -6.802 -1.002 215 HG3 LYS 32 HG1 LYS 32 6.104 -6.315 -1.662 216 HD2 LYS 32 HD2 LYS 32 7.207 -4.843 -3.249 217 HD3 LYS 32 HD1 LYS 32 8.779 -5.246 -2.558 218 HE2 LYS 32 HE2 LYS 32 7.161 -7.547 -3.414 219 HE3 LYS 32 HE1 LYS 32 7.687 -6.476 -4.713 220 HZ1 LYS 32 HZ1 LYS 32 9.592 -7.469 -2.686 221 HZ2 LYS 32 HZ2 LYS 32 9.914 -6.865 -4.234 222 HZ3 LYS 32 HZ3 LYS 32 9.210 -8.392 -4.053 223 H HIS 33 HN HIS 33 9.807 -3.840 2.191 224 HA HIS 33 HA HIS 33 11.676 -2.550 2.041 225 HB2 HIS 33 HB2 HIS 33 12.060 -4.377 0.122 226 HB3 HIS 33 HB1 HIS 33 11.955 -2.944 -0.895 227 HD1 HIS 33 HD1 HIS 33 14.194 -4.736 1.420 228 HD2 HIS 33 HD2 HIS 33 14.017 -1.010 -0.410 229 HE1 HIS 33 HE1 HIS 33 16.494 -3.752 1.677 230 HE2 HIS 33 HE2 HIS 33 16.339 -1.463 0.636 231 H HIS 34 HN HIS 34 10.611 -0.619 2.450 232 HA HIS 34 HA HIS 34 9.393 0.881 0.311 233 HB2 HIS 34 HB2 HIS 34 9.381 0.954 3.176 234 HB3 HIS 34 HB1 HIS 34 9.821 2.546 2.566 235 HD1 HIS 34 HD1 HIS 34 7.416 0.295 0.759 236 HD2 HIS 34 HD2 HIS 34 7.369 3.713 3.120 237 HE1 HIS 34 HE1 HIS 34 5.073 1.193 0.592 238 HE2 HIS 34 HE2 HIS 34 5.085 3.297 1.979 239 H SER 35 HN SER 35 10.744 1.670 -1.187 240 HA SER 35 HA SER 35 12.417 3.841 -0.655 241 HB2 SER 35 HB2 SER 35 13.685 1.533 0.114 242 HB3 SER 35 HB1 SER 35 14.266 1.732 -1.539 243 HG SER 35 HG SER 35 15.219 2.920 0.525 244 H SER 36 HN SER 36 13.277 4.772 -2.543 245 HA SER 36 HA SER 36 13.135 3.401 -5.064 246 HB2 SER 36 HB2 SER 36 10.736 4.136 -4.517 247 HB3 SER 36 HB1 SER 36 11.313 5.784 -4.772 248 HG SER 36 HG SER 36 10.757 5.282 -6.765 249 H GLY 37 HN GLY 37 13.364 5.225 -6.888 250 HA2 GLY 37 HA2 GLY 37 14.621 7.649 -6.310 251 HA3 GLY 37 HA1 GLY 37 15.879 6.427 -6.429 252 H SER 38 HN SER 38 16.470 8.000 -8.218 253 HA SER 38 HA SER 38 14.887 7.857 -10.621 254 HB2 SER 38 HB2 SER 38 16.104 9.897 -10.214 255 HB3 SER 38 HB1 SER 38 17.625 9.016 -10.062 256 HG SER 38 HG SER 38 16.792 10.097 -12.207 257 H SER 39 HN SER 39 18.091 6.664 -9.630 258 HA SER 39 HA SER 39 17.817 4.533 -11.639 259 HB2 SER 39 HB2 SER 39 19.941 6.547 -11.376 260 HB3 SER 39 HB1 SER 39 20.534 4.890 -11.492 261 HG SER 39 HG SER 39 19.883 4.791 -13.500 262 H SER 40 HN SER 40 19.922 5.527 -8.931 263 HA SER 40 HA SER 40 20.652 4.411 -7.088 264 HB2 SER 40 HB2 SER 40 18.628 2.241 -7.551 265 HB3 SER 40 HB1 SER 40 19.217 2.905 -6.027 266 HG SER 40 HG SER 40 17.093 3.657 -7.493 267 H TYR 41 HN TYR 41 22.372 4.039 -8.900 268 HA TYR 41 HA TYR 41 22.791 1.135 -9.182 269 HB2 TYR 41 HB2 TYR 41 23.420 3.428 -11.003 270 HB3 TYR 41 HB1 TYR 41 24.433 1.988 -11.051 271 HD1 TYR 41 HD1 TYR 41 22.446 -0.147 -10.629 272 HD2 TYR 41 HD2 TYR 41 22.222 3.378 -13.000 273 HE1 TYR 41 HE1 TYR 41 20.815 -1.249 -12.103 274 HE2 TYR 41 HE2 TYR 41 20.590 2.287 -14.479 275 HH TYR 41 HH TYR 41 20.146 -0.762 -14.799 276 H HIS 42 HN HIS 42 24.970 3.919 -9.520 277 HA HIS 42 HA HIS 42 26.504 2.997 -7.207 278 HB2 HIS 42 HB2 HIS 42 27.893 3.636 -9.805 279 HB3 HIS 42 HB1 HIS 42 28.567 2.876 -8.368 280 HD1 HIS 42 HD1 HIS 42 27.844 0.364 -7.930 281 HD2 HIS 42 HD2 HIS 42 26.771 1.913 -11.634 282 HE1 HIS 42 HE1 HIS 42 27.250 -1.628 -9.346 283 HE2 HIS 42 HE2 HIS 42 26.698 -0.672 -11.611 284 H CYS 43 HN CYS 43 28.246 4.594 -6.627 285 HA CYS 43 HA CYS 43 28.043 7.266 -7.623 286 HB2 CYS 43 HB2 CYS 43 27.081 8.344 -5.716 287 HB3 CYS 43 HB1 CYS 43 25.981 7.057 -6.197 288 H1 NAG 44 H1 NAG 44 -13.398 9.521 2.988 289 H2 NAG 44 H2 NAG 44 -12.070 11.698 1.437 290 H3 NAG 44 H3 NAG 44 -13.649 13.359 2.663 291 H4 NAG 44 H4 NAG 44 -15.964 12.603 2.917 292 H5 NAG 44 H5 NAG 44 -15.945 9.838 2.952 293 H61 NAG 44 H61 NAG 44 -16.631 11.683 0.625 294 H62 NAG 44 H62 NAG 44 -17.711 11.214 1.957 295 H81 NAG 44 H81 NAG 44 -10.204 13.568 5.343 296 H82 NAG 44 H82 NAG 44 -11.629 12.771 6.066 297 H83 NAG 44 H83 NAG 44 -10.289 11.787 5.416 298 HN2 NAG 44 HN2 NAG 44 -12.070 10.756 4.114 299 HO3 NAG 44 HO3 NAG 44 -13.801 13.410 0.505 300 HO4 NAG 44 HO4 NAG 44 -14.520 10.605 4.289 301 HO6 NAG 44 HO6 NAG 44 -17.614 9.972 -0.255 302 H1 NAG 45 H1 NAG 45 25.521 4.832 -4.694 303 H2 NAG 45 H2 NAG 45 26.081 5.035 -1.995 304 H3 NAG 45 H3 NAG 45 23.999 5.555 -0.844 305 H4 NAG 45 H4 NAG 45 22.218 6.817 -2.271 306 H5 NAG 45 H5 NAG 45 22.964 5.027 -4.539 307 H61 NAG 45 H61 NAG 45 22.058 6.750 -5.879 308 H62 NAG 45 H62 NAG 45 22.278 7.977 -4.612 309 H81 NAG 45 H81 NAG 45 24.029 1.368 -4.288 310 H82 NAG 45 H82 NAG 45 25.515 0.643 -3.616 311 H83 NAG 45 H83 NAG 45 24.193 1.140 -2.524 312 HN2 NAG 45 HN2 NAG 45 23.733 3.507 -2.401 313 HO3 NAG 45 HO3 NAG 45 24.549 7.599 -0.899 314 HO4 NAG 45 HO4 NAG 45 21.275 4.728 -2.797 315 HO6 NAG 45 HO6 NAG 45 20.059 6.901 -5.010 Start of MODEL 3 1 H1 LYS 1 HT1 LYS 1 -5.927 -17.635 -0.745 2 H2 LYS 1 HT2 LYS 1 -6.065 -16.719 0.699 3 H3 LYS 1 HT3 LYS 1 -4.612 -17.563 0.351 4 HA LYS 1 HA LYS 1 -4.011 -15.513 -0.245 5 HB2 LYS 1 HB2 LYS 1 -5.026 -17.185 -2.425 6 HB3 LYS 1 HB1 LYS 1 -4.881 -15.489 -2.864 7 HG2 LYS 1 HG2 LYS 1 -2.870 -16.762 -3.419 8 HG3 LYS 1 HG1 LYS 1 -2.542 -15.494 -2.236 9 HD2 LYS 1 HD2 LYS 1 -2.374 -17.039 -0.468 10 HD3 LYS 1 HD1 LYS 1 -3.129 -18.324 -1.414 11 HE2 LYS 1 HE2 LYS 1 -1.177 -18.946 -2.300 12 HE3 LYS 1 HE1 LYS 1 -0.738 -17.282 -2.686 13 HZ1 LYS 1 HZ1 LYS 1 -0.281 -18.752 -0.159 14 HZ2 LYS 1 HZ2 LYS 1 -0.184 -17.065 -0.242 15 HZ3 LYS 1 HZ3 LYS 1 0.862 -18.019 -1.169 16 HA PRO 2 HA PRO 2 -8.062 -13.251 0.257 17 HB2 PRO 2 HB2 PRO 2 -6.399 -11.598 2.042 18 HB3 PRO 2 HB1 PRO 2 -7.962 -12.359 2.350 19 HG2 PRO 2 HG2 PRO 2 -5.707 -13.270 3.481 20 HG3 PRO 2 HG1 PRO 2 -7.013 -14.363 2.986 21 HD2 PRO 2 HD2 PRO 2 -4.417 -13.769 1.619 22 HD3 PRO 2 HD1 PRO 2 -5.260 -15.320 1.811 23 H ALA 3 HN ALA 3 -8.086 -12.296 -1.748 24 HA ALA 3 HA ALA 3 -6.134 -10.203 -2.343 25 HB1 ALA 3 HB1 ALA 3 -7.652 -10.254 -4.546 26 HB2 ALA 3 HB2 ALA 3 -7.965 -11.883 -3.947 27 HB3 ALA 3 HB3 ALA 3 -6.312 -11.368 -4.278 28 H TRP 4 HN TRP 4 -7.769 -9.502 -0.272 29 HA TRP 4 HA TRP 4 -10.000 -7.949 -1.257 30 HB2 TRP 4 HB2 TRP 4 -9.251 -9.075 1.221 31 HB3 TRP 4 HB1 TRP 4 -9.312 -7.333 1.461 32 HD1 TRP 4 HD1 TRP 4 -11.530 -10.327 0.682 33 HE1 TRP 4 HE1 TRP 4 -13.994 -9.635 0.970 34 HE3 TRP 4 HE3 TRP 4 -10.884 -5.301 1.332 35 HZ2 TRP 4 HZ2 TRP 4 -15.466 -7.266 1.414 36 HZ3 TRP 4 HZ3 TRP 4 -12.871 -3.891 1.683 37 HH2 TRP 4 HH2 TRP 4 -15.113 -4.855 1.723 38 H CYS 5 HN CYS 5 -6.730 -7.403 -1.237 39 HA CYS 5 HA CYS 5 -6.483 -4.811 -0.221 40 HB2 CYS 5 HB2 CYS 5 -4.933 -5.968 -2.545 41 HB3 CYS 5 HB1 CYS 5 -4.423 -4.671 -1.470 42 H TRP 6 HN TRP 6 -6.425 -5.569 -3.709 43 HA TRP 6 HA TRP 6 -6.915 -3.052 -4.649 44 HB2 TRP 6 HB2 TRP 6 -7.682 -4.053 -6.712 45 HB3 TRP 6 HB1 TRP 6 -6.323 -4.971 -6.068 46 HD1 TRP 6 HD1 TRP 6 -6.771 -7.423 -5.276 47 HE1 TRP 6 HE1 TRP 6 -8.747 -9.050 -5.631 48 HE3 TRP 6 HE3 TRP 6 -10.250 -4.079 -6.881 49 HZ2 TRP 6 HZ2 TRP 6 -11.445 -8.906 -6.483 50 HZ3 TRP 6 HZ3 TRP 6 -12.509 -4.886 -7.448 51 HH2 TRP 6 HH2 TRP 6 -13.092 -7.250 -7.250 52 H TYR 7 HN TYR 7 -9.244 -5.384 -3.443 53 HA TYR 7 HA TYR 7 -11.630 -4.321 -4.313 54 HB2 TYR 7 HB2 TYR 7 -10.763 -6.008 -2.103 55 HB3 TYR 7 HB1 TYR 7 -12.148 -5.014 -1.666 56 HD1 TYR 7 HD2 TYR 7 -14.193 -5.092 -3.220 57 HD2 TYR 7 HD1 TYR 7 -11.053 -7.960 -3.346 58 HE1 TYR 7 HE2 TYR 7 -15.687 -6.670 -4.371 59 HE2 TYR 7 HE1 TYR 7 -12.538 -9.545 -4.498 60 HH TYR 7 HH TYR 7 -15.654 -9.465 -4.516 61 H THR 8 HN THR 8 -9.893 -3.467 -1.330 62 HA THR 8 HA THR 8 -11.601 -1.412 -0.505 63 HB THR 8 HB THR 8 -8.694 -2.009 0.013 64 HG1 THR 8 HG1 THR 8 -9.642 -2.347 2.146 65 HG21 THR 8 HG21 THR 8 -9.381 -0.335 2.049 66 HG22 THR 8 HG22 THR 8 -10.085 0.477 0.650 67 HG23 THR 8 HG23 THR 8 -8.363 0.094 0.674 68 H LEU 9 HN LEU 9 -8.958 -1.462 -2.800 69 HA LEU 9 HA LEU 9 -8.762 1.381 -3.060 70 HB2 LEU 9 HB2 LEU 9 -7.714 -0.947 -4.636 71 HB3 LEU 9 HB1 LEU 9 -7.531 0.694 -5.227 72 HG LEU 9 HG LEU 9 -5.526 -0.131 -4.044 73 HD11 LEU 9 HD11 LEU 9 -6.511 1.976 -2.232 74 HD12 LEU 9 HD12 LEU 9 -6.599 2.331 -3.958 75 HD13 LEU 9 HD13 LEU 9 -5.051 1.914 -3.220 76 HD21 LEU 9 HD21 LEU 9 -7.363 -0.196 -1.651 77 HD22 LEU 9 HD22 LEU 9 -5.609 -0.377 -1.598 78 HD23 LEU 9 HD23 LEU 9 -6.595 -1.582 -2.426 79 H ALA 10 HN ALA 10 -10.387 -1.174 -4.897 80 HA ALA 10 HA ALA 10 -11.290 0.454 -7.013 81 HB1 ALA 10 HB1 ALA 10 -12.441 -2.112 -5.924 82 HB2 ALA 10 HB2 ALA 10 -11.248 -1.955 -7.214 83 HB3 ALA 10 HB3 ALA 10 -12.893 -1.366 -7.457 84 H MET 11 HN MET 11 -12.672 -0.344 -3.873 85 HA MET 11 HA MET 11 -15.230 0.756 -4.303 86 HB2 MET 11 HB2 MET 11 -13.609 0.123 -1.861 87 HB3 MET 11 HB1 MET 11 -15.138 0.978 -1.707 88 HG2 MET 11 HG2 MET 11 -16.257 -0.881 -2.882 89 HG3 MET 11 HG1 MET 11 -14.719 -1.745 -2.921 90 HE1 MET 11 HE1 MET 11 -17.732 -0.541 -0.649 91 HE2 MET 11 HE2 MET 11 -16.376 0.502 -0.217 92 HE3 MET 11 HE3 MET 11 -16.988 -0.677 0.945 93 H CYS 12 HN CYS 12 -12.162 2.192 -3.539 94 HA CYS 12 HA CYS 12 -12.878 4.583 -2.369 95 HB2 CYS 12 HB2 CYS 12 -10.560 3.498 -3.502 96 HB3 CYS 12 HB1 CYS 12 -10.826 5.006 -4.370 97 H GLY 13 HN GLY 13 -12.029 4.430 -5.824 98 HA2 GLY 13 HA2 GLY 13 -13.400 5.156 -7.617 99 HA3 GLY 13 HA1 GLY 13 -14.431 5.983 -6.461 100 H ALA 14 HN ALA 14 -12.044 7.165 -5.117 101 HA ALA 14 HA ALA 14 -11.421 9.203 -7.154 102 HB1 ALA 14 HB1 ALA 14 -12.032 10.836 -5.762 103 HB2 ALA 14 HB2 ALA 14 -11.180 10.108 -4.402 104 HB3 ALA 14 HB3 ALA 14 -12.811 9.578 -4.805 105 H GLY 15 HN GLY 15 -10.224 7.571 -4.235 106 HA2 GLY 15 HA2 GLY 15 -8.009 6.648 -4.170 107 HA3 GLY 15 HA1 GLY 15 -7.496 7.900 -5.291 108 H TYR 16 HN TYR 16 -9.534 8.728 -2.613 109 HA TYR 16 HA TYR 16 -7.367 10.330 -1.496 110 HB2 TYR 16 HB2 TYR 16 -10.239 10.583 -1.679 111 HB3 TYR 16 HB1 TYR 16 -9.713 10.759 -0.008 112 HD1 TYR 16 HD2 TYR 16 -7.573 12.339 0.268 113 HD2 TYR 16 HD1 TYR 16 -10.321 12.487 -2.977 114 HE1 TYR 16 HE2 TYR 16 -6.906 14.662 -0.182 115 HE2 TYR 16 HE1 TYR 16 -9.659 14.810 -3.438 116 HH TYR 16 HH TYR 16 -8.186 16.745 -1.385 117 H ASP 17 HN ASP 17 -7.789 10.578 1.074 118 HA ASP 17 HA ASP 17 -7.238 7.916 2.124 119 HB2 ASP 17 HB2 ASP 17 -6.976 10.651 3.395 120 HB3 ASP 17 HB1 ASP 17 -6.502 9.135 4.158 121 H SER 18 HN SER 18 -9.835 8.025 1.465 122 HA SER 18 HA SER 18 -11.703 9.032 3.209 123 HB2 SER 18 HB2 SER 18 -12.147 7.764 1.073 124 HB3 SER 18 HB1 SER 18 -11.878 6.275 1.980 125 H GLY 19 HN GLY 19 -10.160 5.817 3.433 126 HA2 GLY 19 HA2 GLY 19 -9.754 5.873 6.185 127 HA3 GLY 19 HA1 GLY 19 -11.342 5.171 5.926 128 H THR 20 HN THR 20 -11.200 3.507 3.946 129 HA THR 20 HA THR 20 -9.460 1.426 4.908 130 HB THR 20 HB THR 20 -10.985 1.016 2.410 131 HG1 THR 20 HG1 THR 20 -12.821 1.651 3.159 132 HG21 THR 20 HG21 THR 20 -9.876 -0.755 3.932 133 HG22 THR 20 HG22 THR 20 -11.479 -1.065 3.266 134 HG23 THR 20 HG23 THR 20 -11.307 -0.534 4.939 135 H CYS 21 HN CYS 21 -9.839 3.257 1.894 136 HA CYS 21 HA CYS 21 -8.001 2.023 0.284 137 HB2 CYS 21 HB2 CYS 21 -8.298 5.022 0.458 138 HB3 CYS 21 HB1 CYS 21 -7.833 4.070 -0.948 139 H ASP 22 HN ASP 22 -7.247 4.880 2.289 140 HA ASP 22 HA ASP 22 -4.482 4.788 1.893 141 HB2 ASP 22 HB2 ASP 22 -5.989 6.647 2.917 142 HB3 ASP 22 HB1 ASP 22 -5.671 5.828 4.443 143 H TYR 23 HN TYR 23 -6.487 3.263 4.374 144 HA TYR 23 HA TYR 23 -4.253 2.318 5.891 145 HB2 TYR 23 HB2 TYR 23 -6.872 2.658 6.471 146 HB3 TYR 23 HB1 TYR 23 -6.843 0.922 6.179 147 HD1 TYR 23 HD1 TYR 23 -5.392 3.630 8.242 148 HD2 TYR 23 HD2 TYR 23 -5.903 -0.568 7.767 149 HE1 TYR 23 HE1 TYR 23 -4.522 3.272 10.514 150 HE2 TYR 23 HE2 TYR 23 -5.036 -0.936 10.038 151 HH TYR 23 HH TYR 23 -3.351 1.299 11.749 152 H MET 24 HN MET 24 -6.787 0.371 4.309 153 HA MET 24 HA MET 24 -5.518 -2.040 4.296 154 HB2 MET 24 HB2 MET 24 -7.776 -0.915 3.019 155 HB3 MET 24 HB1 MET 24 -6.859 -1.763 1.782 156 HG2 MET 24 HG2 MET 24 -6.981 -3.406 4.101 157 HG3 MET 24 HG1 MET 24 -8.608 -2.839 3.720 158 HE1 MET 24 HE1 MET 24 -6.458 -5.590 3.502 159 HE2 MET 24 HE2 MET 24 -5.446 -4.836 2.272 160 HE3 MET 24 HE3 MET 24 -6.439 -6.233 1.860 161 H TYR 25 HN TYR 25 -5.284 0.420 1.731 162 HA TYR 25 HA TYR 25 -3.610 -0.968 0.003 163 HB2 TYR 25 HB2 TYR 25 -4.759 1.234 -0.433 164 HB3 TYR 25 HB1 TYR 25 -3.489 2.008 0.498 165 HD1 TYR 25 HD1 TYR 25 -3.567 -0.600 -2.184 166 HD2 TYR 25 HD2 TYR 25 -1.971 3.106 -0.836 167 HE1 TYR 25 HE1 TYR 25 -2.167 -0.475 -4.202 168 HE2 TYR 25 HE2 TYR 25 -0.567 3.241 -2.851 169 HH TYR 25 HH TYR 25 -0.900 0.945 -5.478 170 H SER 26 HN SER 26 -2.499 1.666 2.111 171 HA SER 26 HA SER 26 0.201 1.206 1.936 172 HB2 SER 26 HB2 SER 26 -1.391 2.252 4.275 173 HB3 SER 26 HB1 SER 26 0.367 2.321 4.181 174 HG SER 26 HG SER 26 -1.350 4.042 3.196 175 H HIS 27 HN HIS 27 -2.158 -0.518 3.841 176 HA HIS 27 HA HIS 27 -0.249 -1.871 5.494 177 HB2 HIS 27 HB2 HIS 27 -2.791 -1.433 5.906 178 HB3 HIS 27 HB1 HIS 27 -3.015 -2.911 4.978 179 HD1 HIS 27 HD1 HIS 27 -2.024 -5.117 6.031 180 HD2 HIS 27 HD2 HIS 27 -1.954 -1.784 8.511 181 HE1 HIS 27 HE1 HIS 27 -1.607 -6.009 8.345 182 HE2 HIS 27 HE2 HIS 27 -1.657 -3.982 9.841 183 H CYS 28 HN CYS 28 -2.325 -2.934 2.800 184 HA CYS 28 HA CYS 28 -1.176 -5.505 2.585 185 HB2 CYS 28 HB2 CYS 28 -3.376 -5.050 1.673 186 HB3 CYS 28 HB1 CYS 28 -2.710 -3.852 0.570 187 H PHE 29 HN PHE 29 -0.426 -2.412 1.094 188 HA PHE 29 HA PHE 29 1.829 -3.674 -0.315 189 HB2 PHE 29 HB2 PHE 29 -0.015 -1.482 -1.004 190 HB3 PHE 29 HB1 PHE 29 1.678 -1.160 -1.369 191 HD1 PHE 29 HD1 PHE 29 -0.993 -3.696 -1.871 192 HD2 PHE 29 HD2 PHE 29 2.621 -1.978 -3.320 193 HE1 PHE 29 HE1 PHE 29 -1.193 -5.024 -3.932 194 HE2 PHE 29 HE2 PHE 29 2.427 -3.303 -5.386 195 HZ PHE 29 HZ PHE 29 0.531 -4.838 -5.688 196 H GLY 30 HN GLY 30 3.500 -1.634 -0.761 197 HA2 GLY 30 HA2 GLY 30 5.021 -0.171 0.181 198 HA3 GLY 30 HA1 GLY 30 3.956 -0.021 1.570 199 H ILE 31 HN ILE 31 5.151 -0.433 3.316 200 HA ILE 31 HA ILE 31 6.569 -1.457 4.774 201 HB ILE 31 HB ILE 31 5.993 -4.033 3.334 202 HG12 ILE 31 HG12 ILE 31 4.192 -2.487 5.206 203 HG13 ILE 31 HG11 ILE 31 3.846 -2.961 3.546 204 HG21 ILE 31 HG21 ILE 31 7.562 -4.278 5.099 205 HG22 ILE 31 HG22 ILE 31 6.020 -4.888 5.696 206 HG23 ILE 31 HG23 ILE 31 6.587 -3.293 6.189 207 HD11 ILE 31 HD11 ILE 31 3.177 -4.328 5.877 208 HD12 ILE 31 HD12 ILE 31 4.473 -5.268 5.138 209 HD13 ILE 31 HD13 ILE 31 3.017 -4.898 4.216 210 H LYS 32 HN LYS 32 8.244 -0.265 3.405 211 HA LYS 32 HA LYS 32 10.262 -0.180 2.348 212 HB2 LYS 32 HB2 LYS 32 10.954 -1.277 4.401 213 HB3 LYS 32 HB1 LYS 32 10.518 -2.849 3.744 214 HG2 LYS 32 HG2 LYS 32 12.607 -3.058 3.044 215 HG3 LYS 32 HG1 LYS 32 12.303 -1.749 1.900 216 HD2 LYS 32 HD2 LYS 32 14.205 -1.073 3.104 217 HD3 LYS 32 HD1 LYS 32 12.870 -0.166 3.817 218 HE2 LYS 32 HE2 LYS 32 12.898 -2.466 5.310 219 HE3 LYS 32 HE1 LYS 32 14.611 -2.194 5.000 220 HZ1 LYS 32 HZ1 LYS 32 12.809 -0.086 6.047 221 HZ2 LYS 32 HZ2 LYS 32 14.499 -0.067 5.989 222 HZ3 LYS 32 HZ3 LYS 32 13.702 -1.117 7.050 223 H HIS 33 HN HIS 33 9.600 -0.240 0.205 224 HA HIS 33 HA HIS 33 10.621 -2.336 -1.366 225 HB2 HIS 33 HB2 HIS 33 8.115 -2.961 -0.351 226 HB3 HIS 33 HB1 HIS 33 7.770 -2.369 -1.973 227 HD1 HIS 33 HD1 HIS 33 10.198 -3.518 -3.471 228 HD2 HIS 33 HD2 HIS 33 7.933 -5.653 -0.718 229 HE1 HIS 33 HE1 HIS 33 10.560 -5.941 -4.037 230 HE2 HIS 33 HE2 HIS 33 9.135 -7.213 -2.394 231 H HIS 34 HN HIS 34 11.556 -0.681 -2.516 232 HA HIS 34 HA HIS 34 9.796 0.671 -4.402 233 HB2 HIS 34 HB2 HIS 34 11.681 2.105 -2.531 234 HB3 HIS 34 HB1 HIS 34 11.066 2.835 -4.011 235 HD1 HIS 34 HD1 HIS 34 8.537 3.449 -4.065 236 HD2 HIS 34 HD2 HIS 34 9.872 1.969 -0.419 237 HE1 HIS 34 HE1 HIS 34 6.715 3.981 -2.417 238 HE2 HIS 34 HE2 HIS 34 7.581 3.153 -0.201 239 H SER 35 HN SER 35 10.598 0.442 -6.378 240 HA SER 35 HA SER 35 12.024 -0.097 -8.073 241 HB2 SER 35 HB2 SER 35 13.772 1.734 -6.421 242 HB3 SER 35 HB1 SER 35 14.212 1.162 -8.030 243 HG SER 35 HG SER 35 12.842 3.269 -7.532 244 H SER 36 HN SER 36 11.874 -2.048 -6.066 245 HA SER 36 HA SER 36 12.914 -3.911 -5.272 246 HB2 SER 36 HB2 SER 36 14.321 -3.297 -7.828 247 HB3 SER 36 HB1 SER 36 15.018 -4.534 -6.783 248 HG SER 36 HG SER 36 13.293 -5.787 -7.079 249 H GLY 37 HN GLY 37 13.498 -2.621 -3.362 250 HA2 GLY 37 HA2 GLY 37 16.421 -2.554 -3.064 251 HA3 GLY 37 HA1 GLY 37 15.486 -1.141 -2.603 252 H SER 38 HN SER 38 16.745 -4.098 -1.588 253 HA SER 38 HA SER 38 14.922 -4.311 0.688 254 HB2 SER 38 HB2 SER 38 15.309 -6.436 -0.250 255 HB3 SER 38 HB1 SER 38 17.032 -6.127 -0.461 256 HG SER 38 HG SER 38 15.715 -6.377 2.041 257 H SER 39 HN SER 39 18.123 -3.292 -0.146 258 HA SER 39 HA SER 39 18.611 -2.638 2.682 259 HB2 SER 39 HB2 SER 39 20.700 -3.583 0.703 260 HB3 SER 39 HB1 SER 39 20.995 -3.116 2.377 261 HG SER 39 HG SER 39 19.901 -4.894 3.070 262 H SER 40 HN SER 40 17.722 -0.558 2.123 263 HA SER 40 HA SER 40 19.495 1.096 0.456 264 HB2 SER 40 HB2 SER 40 16.942 0.889 -0.012 265 HB3 SER 40 HB1 SER 40 16.768 1.968 1.371 266 HG SER 40 HG SER 40 17.013 3.402 -0.184 267 H TYR 41 HN TYR 41 19.922 0.292 3.273 268 HA TYR 41 HA TYR 41 20.874 2.737 4.275 269 HB2 TYR 41 HB2 TYR 41 18.114 2.173 4.881 270 HB3 TYR 41 HB1 TYR 41 19.064 2.175 6.362 271 HD1 TYR 41 HD2 TYR 41 21.112 4.238 5.589 272 HD2 TYR 41 HD1 TYR 41 16.884 4.165 5.118 273 HE1 TYR 41 HE2 TYR 41 21.072 6.698 5.613 274 HE2 TYR 41 HE1 TYR 41 16.833 6.624 5.139 275 HH TYR 41 HH TYR 41 19.405 8.521 4.630 276 H HIS 42 HN HIS 42 21.939 2.508 6.348 277 HA HIS 42 HA HIS 42 22.123 -0.199 7.417 278 HB2 HIS 42 HB2 HIS 42 23.877 0.190 5.572 279 HB3 HIS 42 HB1 HIS 42 24.651 1.278 6.719 280 HD1 HIS 42 HD1 HIS 42 26.161 -1.191 5.792 281 HD2 HIS 42 HD2 HIS 42 23.737 -1.124 9.166 282 HE1 HIS 42 HE1 HIS 42 26.978 -3.073 7.244 283 HE2 HIS 42 HE2 HIS 42 25.559 -2.952 9.321 284 H CYS 43 HN CYS 43 23.577 3.038 7.637 285 HA CYS 43 HA CYS 43 24.081 2.823 10.437 286 HB2 CYS 43 HB2 CYS 43 24.474 4.828 8.327 287 HB3 CYS 43 HB1 CYS 43 24.132 5.518 9.910 288 H1 NAG 44 H1 NAG 44 -14.032 5.928 1.007 289 H2 NAG 44 H2 NAG 44 -14.949 5.590 3.544 290 H3 NAG 44 H3 NAG 44 -17.480 6.392 2.088 291 H4 NAG 44 H4 NAG 44 -15.697 8.226 3.766 292 H5 NAG 44 H5 NAG 44 -16.880 9.002 1.118 293 H61 NAG 44 H61 NAG 44 -14.427 9.836 0.898 294 H62 NAG 44 H62 NAG 44 -14.301 9.486 2.637 295 H81 NAG 44 H81 NAG 44 -16.878 2.527 0.740 296 H82 NAG 44 H82 NAG 44 -16.044 1.585 2.007 297 H83 NAG 44 H83 NAG 44 -17.795 1.915 2.144 298 HN2 NAG 44 HN2 NAG 44 -15.484 4.357 1.038 299 HO3 NAG 44 HO3 NAG 44 -16.611 6.044 4.784 300 HO4 NAG 44 HO4 NAG 44 -18.436 8.252 3.109 301 HO6 NAG 44 HO6 NAG 44 -14.986 11.687 2.119 302 H1 NAG 45 H1 NAG 45 28.079 5.892 9.658 303 H2 NAG 45 H2 NAG 45 26.114 6.031 7.327 304 H3 NAG 45 H3 NAG 45 28.832 7.358 7.750 305 H4 NAG 45 H4 NAG 45 26.024 8.562 7.609 306 H5 NAG 45 H5 NAG 45 27.971 8.332 9.952 307 H61 NAG 45 H61 NAG 45 25.811 9.051 11.195 308 H62 NAG 45 H62 NAG 45 25.254 9.638 9.612 309 H81 NAG 45 H81 NAG 45 27.808 2.697 4.728 310 H82 NAG 45 H82 NAG 45 29.226 3.341 5.602 311 H83 NAG 45 H83 NAG 45 28.164 2.136 6.386 312 HN2 NAG 45 HN2 NAG 45 28.832 4.809 7.410 313 HO3 NAG 45 HO3 NAG 45 28.597 7.157 5.608 314 HO4 NAG 45 HO4 NAG 45 27.072 10.463 7.683 315 HO6 NAG 45 HO6 NAG 45 27.452 10.755 9.609 Start of MODEL 4 1 H1 LYS 1 HT1 LYS 1 -8.465 -16.748 -5.147 2 H2 LYS 1 HT2 LYS 1 -7.208 -17.714 -4.490 3 H3 LYS 1 HT3 LYS 1 -6.944 -16.045 -4.788 4 HA LYS 1 HA LYS 1 -8.886 -17.151 -2.873 5 HB2 LYS 1 HB2 LYS 1 -6.035 -16.779 -2.743 6 HB3 LYS 1 HB1 LYS 1 -6.823 -15.680 -1.618 7 HG2 LYS 1 HG2 LYS 1 -8.020 -17.582 -0.625 8 HG3 LYS 1 HG1 LYS 1 -7.171 -18.670 -1.726 9 HD2 LYS 1 HD2 LYS 1 -5.232 -18.540 -0.567 10 HD3 LYS 1 HD1 LYS 1 -5.472 -16.841 -0.152 11 HE2 LYS 1 HE2 LYS 1 -7.063 -17.454 1.567 12 HE3 LYS 1 HE1 LYS 1 -6.944 -19.153 1.109 13 HZ1 LYS 1 HZ1 LYS 1 -5.091 -17.505 2.639 14 HZ2 LYS 1 HZ2 LYS 1 -4.401 -18.640 1.592 15 HZ3 LYS 1 HZ3 LYS 1 -5.470 -19.146 2.802 16 HA PRO 2 HA PRO 2 -10.681 -13.157 -2.391 17 HB2 PRO 2 HB2 PRO 2 -9.620 -12.875 0.365 18 HB3 PRO 2 HB1 PRO 2 -11.291 -12.842 -0.206 19 HG2 PRO 2 HG2 PRO 2 -10.330 -14.951 1.118 20 HG3 PRO 2 HG1 PRO 2 -11.470 -15.149 -0.226 21 HD2 PRO 2 HD2 PRO 2 -8.512 -15.574 -0.170 22 HD3 PRO 2 HD1 PRO 2 -9.770 -16.505 -1.009 23 H ALA 3 HN ALA 3 -10.258 -10.848 -2.035 24 HA ALA 3 HA ALA 3 -7.520 -10.018 -1.633 25 HB1 ALA 3 HB1 ALA 3 -8.784 -9.383 -4.288 26 HB2 ALA 3 HB2 ALA 3 -7.671 -10.730 -4.047 27 HB3 ALA 3 HB3 ALA 3 -7.127 -9.075 -3.770 28 H TRP 4 HN TRP 4 -8.698 -8.987 0.121 29 HA TRP 4 HA TRP 4 -10.679 -7.023 -0.369 30 HB2 TRP 4 HB2 TRP 4 -8.986 -6.805 2.066 31 HB3 TRP 4 HB1 TRP 4 -10.729 -6.674 1.897 32 HD1 TRP 4 HD1 TRP 4 -12.153 -8.893 2.154 33 HE1 TRP 4 HE1 TRP 4 -11.576 -11.244 3.035 34 HE3 TRP 4 HE3 TRP 4 -7.078 -8.523 2.108 35 HZ2 TRP 4 HZ2 TRP 4 -9.251 -12.744 3.632 36 HZ3 TRP 4 HZ3 TRP 4 -5.734 -10.454 2.848 37 HH2 TRP 4 HH2 TRP 4 -6.803 -12.521 3.593 38 H CYS 5 HN CYS 5 -7.218 -7.015 -0.382 39 HA CYS 5 HA CYS 5 -6.611 -4.349 0.028 40 HB2 CYS 5 HB2 CYS 5 -5.348 -6.373 -1.824 41 HB3 CYS 5 HB1 CYS 5 -4.662 -4.779 -1.531 42 H TRP 6 HN TRP 6 -7.090 -5.900 -3.149 43 HA TRP 6 HA TRP 6 -7.211 -3.435 -4.547 44 HB2 TRP 6 HB2 TRP 6 -7.367 -6.268 -5.188 45 HB3 TRP 6 HB1 TRP 6 -8.500 -5.317 -6.144 46 HD1 TRP 6 HD1 TRP 6 -4.870 -6.201 -5.891 47 HE1 TRP 6 HE1 TRP 6 -3.539 -4.952 -7.706 48 HE3 TRP 6 HE3 TRP 6 -8.485 -2.937 -7.445 49 HZ2 TRP 6 HZ2 TRP 6 -3.966 -2.859 -9.552 50 HZ3 TRP 6 HZ3 TRP 6 -7.942 -1.343 -9.239 51 HH2 TRP 6 HH2 TRP 6 -5.729 -1.306 -10.269 52 H TYR 7 HN TYR 7 -9.592 -5.456 -2.993 53 HA TYR 7 HA TYR 7 -11.926 -4.612 -4.197 54 HB2 TYR 7 HB2 TYR 7 -11.344 -6.243 -2.105 55 HB3 TYR 7 HB1 TYR 7 -12.053 -4.873 -1.258 56 HD1 TYR 7 HD1 TYR 7 -13.832 -4.326 -3.900 57 HD2 TYR 7 HD2 TYR 7 -13.254 -7.601 -1.249 58 HE1 TYR 7 HE1 TYR 7 -16.087 -5.151 -4.439 59 HE2 TYR 7 HE2 TYR 7 -15.504 -8.436 -1.780 60 HH TYR 7 HH TYR 7 -17.606 -7.649 -2.643 61 H THR 8 HN THR 8 -10.368 -3.185 -1.316 62 HA THR 8 HA THR 8 -12.160 -1.013 -1.123 63 HB THR 8 HB THR 8 -10.518 -1.922 0.643 64 HG1 THR 8 HG1 THR 8 -10.589 0.889 0.361 65 HG21 THR 8 HG21 THR 8 -8.428 -0.708 0.888 66 HG22 THR 8 HG22 THR 8 -8.682 0.060 -0.680 67 HG23 THR 8 HG23 THR 8 -8.433 -1.682 -0.580 68 H LEU 9 HN LEU 9 -9.011 -1.374 -2.673 69 HA LEU 9 HA LEU 9 -8.664 1.289 -3.479 70 HB2 LEU 9 HB2 LEU 9 -7.595 -1.345 -4.365 71 HB3 LEU 9 HB1 LEU 9 -7.350 0.035 -5.418 72 HG LEU 9 HG LEU 9 -5.478 -0.527 -3.785 73 HD11 LEU 9 HD11 LEU 9 -5.213 1.949 -3.170 74 HD12 LEU 9 HD12 LEU 9 -6.720 2.188 -4.054 75 HD13 LEU 9 HD13 LEU 9 -5.310 1.524 -4.879 76 HD21 LEU 9 HD21 LEU 9 -7.248 0.880 -1.800 77 HD22 LEU 9 HD22 LEU 9 -5.682 0.119 -1.521 78 HD23 LEU 9 HD23 LEU 9 -7.095 -0.876 -1.870 79 H ALA 10 HN ALA 10 -10.331 -1.414 -5.018 80 HA ALA 10 HA ALA 10 -10.836 -0.216 -7.502 81 HB1 ALA 10 HB1 ALA 10 -12.518 -2.251 -6.043 82 HB2 ALA 10 HB2 ALA 10 -11.131 -2.611 -7.071 83 HB3 ALA 10 HB3 ALA 10 -12.582 -1.892 -7.768 84 H MET 11 HN MET 11 -12.953 -0.460 -4.644 85 HA MET 11 HA MET 11 -14.993 1.189 -5.704 86 HB2 MET 11 HB2 MET 11 -14.537 -0.311 -3.327 87 HB3 MET 11 HB1 MET 11 -14.992 1.320 -2.852 88 HG2 MET 11 HG2 MET 11 -16.738 0.513 -4.930 89 HG3 MET 11 HG1 MET 11 -16.649 -0.798 -3.752 90 HE1 MET 11 HE1 MET 11 -18.336 1.824 -4.997 91 HE2 MET 11 HE2 MET 11 -19.072 2.814 -3.737 92 HE3 MET 11 HE3 MET 11 -19.670 1.183 -4.039 93 H CYS 12 HN CYS 12 -12.009 1.849 -4.076 94 HA CYS 12 HA CYS 12 -12.467 4.362 -3.001 95 HB2 CYS 12 HB2 CYS 12 -10.333 2.804 -3.037 96 HB3 CYS 12 HB1 CYS 12 -9.878 3.825 -4.396 97 H GLY 13 HN GLY 13 -12.016 6.485 -3.783 98 HA2 GLY 13 HA2 GLY 13 -12.366 6.723 -6.707 99 HA3 GLY 13 HA1 GLY 13 -13.078 7.833 -5.547 100 H ALA 14 HN ALA 14 -11.372 8.888 -4.055 101 HA ALA 14 HA ALA 14 -9.313 9.997 -5.811 102 HB1 ALA 14 HB1 ALA 14 -9.280 11.390 -3.393 103 HB2 ALA 14 HB2 ALA 14 -10.981 11.046 -3.710 104 HB3 ALA 14 HB3 ALA 14 -10.016 11.905 -4.912 105 H GLY 15 HN GLY 15 -7.276 10.744 -4.503 106 HA2 GLY 15 HA2 GLY 15 -6.244 8.323 -3.190 107 HA3 GLY 15 HA1 GLY 15 -5.268 9.558 -3.972 108 H TYR 16 HN TYR 16 -7.863 10.498 -1.874 109 HA TYR 16 HA TYR 16 -5.901 11.588 0.003 110 HB2 TYR 16 HB2 TYR 16 -8.738 12.242 -0.686 111 HB3 TYR 16 HB1 TYR 16 -8.119 12.694 0.899 112 HD1 TYR 16 HD2 TYR 16 -5.973 14.112 0.962 113 HD2 TYR 16 HD1 TYR 16 -8.338 13.605 -2.540 114 HE1 TYR 16 HE2 TYR 16 -4.964 16.135 -0.006 115 HE2 TYR 16 HE1 TYR 16 -7.334 15.626 -3.517 116 HH TYR 16 HH TYR 16 -6.110 17.882 -2.231 117 H ASP 17 HN ASP 17 -6.671 11.645 2.352 118 HA ASP 17 HA ASP 17 -6.845 9.007 3.309 119 HB2 ASP 17 HB2 ASP 17 -6.756 11.704 4.467 120 HB3 ASP 17 HB1 ASP 17 -7.644 10.538 5.444 121 H SER 18 HN SER 18 -8.718 8.239 2.105 122 HA SER 18 HA SER 18 -11.320 9.274 2.652 123 HB2 SER 18 HB2 SER 18 -10.762 8.034 0.575 124 HB3 SER 18 HB1 SER 18 -10.557 6.567 1.531 125 H GLY 19 HN GLY 19 -9.904 6.094 3.469 126 HA2 GLY 19 HA2 GLY 19 -10.516 6.177 6.195 127 HA3 GLY 19 HA1 GLY 19 -11.886 5.451 5.372 128 H THR 20 HN THR 20 -11.030 3.777 3.613 129 HA THR 20 HA THR 20 -9.375 1.892 5.133 130 HB THR 20 HB THR 20 -10.938 1.175 2.674 131 HG1 THR 20 HG1 THR 20 -12.759 0.939 3.877 132 HG21 THR 20 HG21 THR 20 -11.320 -0.880 4.247 133 HG22 THR 20 HG22 THR 20 -9.853 -0.283 5.023 134 HG23 THR 20 HG23 THR 20 -9.834 -0.714 3.313 135 H CYS 21 HN CYS 21 -9.645 3.452 1.988 136 HA CYS 21 HA CYS 21 -7.767 2.098 0.518 137 HB2 CYS 21 HB2 CYS 21 -8.003 5.107 0.509 138 HB3 CYS 21 HB1 CYS 21 -7.521 4.064 -0.824 139 H ASP 22 HN ASP 22 -7.141 4.843 2.704 140 HA ASP 22 HA ASP 22 -4.322 4.745 2.342 141 HB2 ASP 22 HB2 ASP 22 -6.224 6.263 4.012 142 HB3 ASP 22 HB1 ASP 22 -4.609 6.079 4.688 143 H TYR 23 HN TYR 23 -6.455 2.841 4.202 144 HA TYR 23 HA TYR 23 -4.353 2.086 6.094 145 HB2 TYR 23 HB2 TYR 23 -7.054 2.439 6.444 146 HB3 TYR 23 HB1 TYR 23 -6.928 0.690 6.290 147 HD1 TYR 23 HD2 TYR 23 -4.505 -0.032 7.619 148 HD2 TYR 23 HD1 TYR 23 -7.292 3.008 8.665 149 HE1 TYR 23 HE2 TYR 23 -3.789 -0.191 9.965 150 HE2 TYR 23 HE1 TYR 23 -6.583 2.856 11.015 151 HH TYR 23 HH TYR 23 -3.836 1.535 12.026 152 H MET 24 HN MET 24 -6.796 0.320 4.192 153 HA MET 24 HA MET 24 -5.597 -2.166 4.263 154 HB2 MET 24 HB2 MET 24 -7.696 -0.844 2.757 155 HB3 MET 24 HB1 MET 24 -6.839 -2.018 1.774 156 HG2 MET 24 HG2 MET 24 -7.813 -2.760 4.499 157 HG3 MET 24 HG1 MET 24 -8.916 -2.756 3.122 158 HE1 MET 24 HE1 MET 24 -7.729 -6.365 4.367 159 HE2 MET 24 HE2 MET 24 -8.129 -4.845 5.167 160 HE3 MET 24 HE3 MET 24 -6.445 -5.344 5.013 161 H TYR 25 HN TYR 25 -5.279 0.352 1.768 162 HA TYR 25 HA TYR 25 -3.592 -0.986 0.021 163 HB2 TYR 25 HB2 TYR 25 -4.730 1.290 -0.255 164 HB3 TYR 25 HB1 TYR 25 -3.358 1.958 0.611 165 HD1 TYR 25 HD1 TYR 25 -3.614 -0.645 -2.055 166 HD2 TYR 25 HD2 TYR 25 -2.025 3.121 -0.876 167 HE1 TYR 25 HE1 TYR 25 -2.352 -0.524 -4.162 168 HE2 TYR 25 HE2 TYR 25 -0.759 3.253 -2.981 169 HH TYR 25 HH TYR 25 -0.388 0.581 -5.071 170 H SER 26 HN SER 26 -2.498 1.523 2.293 171 HA SER 26 HA SER 26 0.195 1.170 2.121 172 HB2 SER 26 HB2 SER 26 -1.622 2.144 4.239 173 HB3 SER 26 HB1 SER 26 0.000 1.700 4.771 174 HG SER 26 HG SER 26 0.606 3.541 3.990 175 H HIS 27 HN HIS 27 -1.893 -0.507 4.477 176 HA HIS 27 HA HIS 27 0.114 -2.100 5.594 177 HB2 HIS 27 HB2 HIS 27 -2.477 -1.678 6.187 178 HB3 HIS 27 HB1 HIS 27 -2.607 -3.260 5.424 179 HD1 HIS 27 HD1 HIS 27 -0.929 -5.134 6.509 180 HD2 HIS 27 HD2 HIS 27 -1.774 -1.775 8.805 181 HE1 HIS 27 HE1 HIS 27 -0.322 -5.762 8.867 182 HE2 HIS 27 HE2 HIS 27 -0.878 -3.727 10.247 183 H CYS 28 HN CYS 28 -1.633 -2.418 2.625 184 HA CYS 28 HA CYS 28 -0.902 -5.200 2.271 185 HB2 CYS 28 HB2 CYS 28 -3.051 -4.002 1.423 186 HB3 CYS 28 HB1 CYS 28 -2.021 -3.451 0.107 187 H PHE 29 HN PHE 29 -0.276 -2.188 0.458 188 HA PHE 29 HA PHE 29 1.997 -3.425 -0.852 189 HB2 PHE 29 HB2 PHE 29 0.499 -0.861 -1.189 190 HB3 PHE 29 HB1 PHE 29 2.129 -0.993 -1.841 191 HD1 PHE 29 HD1 PHE 29 -0.479 -3.624 -1.666 192 HD2 PHE 29 HD2 PHE 29 1.766 -0.989 -4.141 193 HE1 PHE 29 HE1 PHE 29 -1.374 -4.746 -3.664 194 HE2 PHE 29 HE2 PHE 29 0.874 -2.106 -6.145 195 HZ PHE 29 HZ PHE 29 -0.699 -3.989 -5.905 196 H GLY 30 HN GLY 30 1.853 -0.114 0.312 197 HA2 GLY 30 HA2 GLY 30 3.073 0.587 2.318 198 HA3 GLY 30 HA1 GLY 30 4.262 -0.648 1.933 199 H ILE 31 HN ILE 31 2.859 1.376 -0.534 200 HA ILE 31 HA ILE 31 5.339 2.955 -0.653 201 HB ILE 31 HB ILE 31 3.929 1.869 -3.090 202 HG12 ILE 31 HG12 ILE 31 4.977 0.072 -1.711 203 HG13 ILE 31 HG11 ILE 31 5.716 0.256 -3.299 204 HG21 ILE 31 HG21 ILE 31 6.656 2.591 -3.500 205 HG22 ILE 31 HG22 ILE 31 5.820 3.933 -2.721 206 HG23 ILE 31 HG23 ILE 31 5.206 3.273 -4.237 207 HD11 ILE 31 HD11 ILE 31 6.982 0.242 -0.811 208 HD12 ILE 31 HD12 ILE 31 7.072 1.905 -1.391 209 HD13 ILE 31 HD13 ILE 31 7.698 0.590 -2.384 210 H LYS 32 HN LYS 32 4.347 4.772 0.200 211 HA LYS 32 HA LYS 32 2.018 5.847 -1.214 212 HB2 LYS 32 HB2 LYS 32 3.228 7.134 1.204 213 HB3 LYS 32 HB1 LYS 32 1.555 7.133 0.667 214 HG2 LYS 32 HG2 LYS 32 1.209 5.589 2.227 215 HG3 LYS 32 HG1 LYS 32 2.054 4.472 1.154 216 HD2 LYS 32 HD2 LYS 32 3.708 4.260 2.624 217 HD3 LYS 32 HD1 LYS 32 3.970 6.005 2.623 218 HE2 LYS 32 HE2 LYS 32 2.942 6.266 4.592 219 HE3 LYS 32 HE1 LYS 32 1.609 5.207 4.131 220 HZ1 LYS 32 HZ1 LYS 32 3.699 3.504 4.473 221 HZ2 LYS 32 HZ2 LYS 32 2.470 3.792 5.598 222 HZ3 LYS 32 HZ3 LYS 32 3.932 4.635 5.710 223 H HIS 33 HN HIS 33 4.778 5.832 -2.293 224 HA HIS 33 HA HIS 33 6.125 7.200 -3.512 225 HB2 HIS 33 HB2 HIS 33 3.571 8.660 -3.341 226 HB3 HIS 33 HB1 HIS 33 4.970 9.664 -3.711 227 HD1 HIS 33 HD1 HIS 33 4.279 10.090 -6.136 228 HD2 HIS 33 HD2 HIS 33 4.677 6.060 -5.205 229 HE1 HIS 33 HE1 HIS 33 4.211 8.881 -8.340 230 HE2 HIS 33 HE2 HIS 33 4.475 6.445 -7.755 231 H HIS 34 HN HIS 34 6.365 7.079 -0.607 232 HA HIS 34 HA HIS 34 6.998 9.686 0.370 233 HB2 HIS 34 HB2 HIS 34 7.800 8.574 2.341 234 HB3 HIS 34 HB1 HIS 34 6.346 7.735 1.810 235 HD1 HIS 34 HD1 HIS 34 8.121 6.215 -0.509 236 HD2 HIS 34 HD2 HIS 34 8.670 6.200 3.610 237 HE1 HIS 34 HE1 HIS 34 9.420 4.119 -0.011 238 HE2 HIS 34 HE2 HIS 34 9.684 4.098 2.495 239 H SER 35 HN SER 35 9.092 10.486 0.920 240 HA SER 35 HA SER 35 11.462 9.202 -0.046 241 HB2 SER 35 HB2 SER 35 10.162 11.360 -1.652 242 HB3 SER 35 HB1 SER 35 11.923 11.336 -1.549 243 HG SER 35 HG SER 35 11.578 10.023 -3.208 244 H SER 36 HN SER 36 13.401 10.424 0.442 245 HA SER 36 HA SER 36 12.970 12.208 2.722 246 HB2 SER 36 HB2 SER 36 15.436 10.719 1.795 247 HB3 SER 36 HB1 SER 36 15.380 11.775 3.206 248 HG SER 36 HG SER 36 14.955 9.316 3.338 249 H GLY 37 HN GLY 37 12.461 14.100 1.543 250 HA2 GLY 37 HA2 GLY 37 13.469 16.237 1.115 251 HA3 GLY 37 HA1 GLY 37 14.846 15.403 0.411 252 H SER 38 HN SER 38 11.538 16.428 -0.101 253 HA SER 38 HA SER 38 11.628 15.601 -2.896 254 HB2 SER 38 HB2 SER 38 9.458 16.689 -1.113 255 HB3 SER 38 HB1 SER 38 9.254 16.616 -2.864 256 HG SER 38 HG SER 38 8.541 14.682 -2.304 257 H SER 39 HN SER 39 10.829 17.210 -4.541 258 HA SER 39 HA SER 39 11.686 19.951 -3.923 259 HB2 SER 39 HB2 SER 39 12.485 18.456 -6.432 260 HB3 SER 39 HB1 SER 39 12.945 20.101 -5.994 261 HG SER 39 HG SER 39 14.394 19.349 -4.639 262 H SER 40 HN SER 40 10.521 18.143 -6.770 263 HA SER 40 HA SER 40 9.019 20.168 -7.894 264 HB2 SER 40 HB2 SER 40 7.772 18.386 -9.069 265 HB3 SER 40 HB1 SER 40 9.507 18.075 -9.068 266 HG SER 40 HG SER 40 7.868 16.332 -8.432 267 H TYR 41 HN TYR 41 8.269 18.112 -5.195 268 HA TYR 41 HA TYR 41 5.462 18.753 -5.160 269 HB2 TYR 41 HB2 TYR 41 6.487 16.609 -4.274 270 HB3 TYR 41 HB1 TYR 41 7.081 17.553 -2.912 271 HD1 TYR 41 HD2 TYR 41 3.801 17.756 -4.668 272 HD2 TYR 41 HD1 TYR 41 5.868 16.775 -1.081 273 HE1 TYR 41 HE2 TYR 41 1.650 17.442 -3.520 274 HE2 TYR 41 HE1 TYR 41 3.722 16.458 0.077 275 HH TYR 41 HH TYR 41 1.031 15.865 -1.167 276 H HIS 42 HN HIS 42 4.392 19.936 -3.493 277 HA HIS 42 HA HIS 42 5.950 21.624 -1.739 278 HB2 HIS 42 HB2 HIS 42 5.094 23.737 -2.614 279 HB3 HIS 42 HB1 HIS 42 6.002 22.885 -3.859 280 HD1 HIS 42 HD1 HIS 42 2.423 23.601 -2.849 281 HD2 HIS 42 HD2 HIS 42 4.621 22.422 -6.172 282 HE1 HIS 42 HE1 HIS 42 0.799 23.617 -4.769 283 HE2 HIS 42 HE2 HIS 42 2.157 22.925 -6.775 284 H CYS 43 HN CYS 43 4.832 22.190 0.051 285 HA CYS 43 HA CYS 43 2.435 20.907 0.687 286 HB2 CYS 43 HB2 CYS 43 4.333 22.395 2.062 287 HB3 CYS 43 HB1 CYS 43 2.861 23.348 2.221 288 H1 NAG 44 H1 NAG 44 -12.845 8.183 -0.490 289 H2 NAG 44 H2 NAG 44 -14.760 6.737 0.044 290 H3 NAG 44 H3 NAG 44 -16.418 7.992 1.772 291 H4 NAG 44 H4 NAG 44 -13.782 8.230 3.242 292 H5 NAG 44 H5 NAG 44 -15.080 10.395 1.523 293 H61 NAG 44 H61 NAG 44 -13.324 11.886 2.353 294 H62 NAG 44 H62 NAG 44 -12.717 10.612 3.433 295 H81 NAG 44 H81 NAG 44 -17.587 8.654 -2.962 296 H82 NAG 44 H82 NAG 44 -17.379 9.896 -1.696 297 H83 NAG 44 H83 NAG 44 -16.164 9.732 -2.994 298 HN2 NAG 44 HN2 NAG 44 -15.555 9.598 -0.175 299 HO3 NAG 44 HO3 NAG 44 -15.769 6.355 3.195 300 HO4 NAG 44 HO4 NAG 44 -16.105 8.330 4.083 301 HO6 NAG 44 HO6 NAG 44 -15.043 12.185 3.643 302 H1 NAG 45 H1 NAG 45 2.570 23.101 4.894 303 H2 NAG 45 H2 NAG 45 3.527 20.491 6.157 304 H3 NAG 45 H3 NAG 45 2.818 23.189 7.397 305 H4 NAG 45 H4 NAG 45 5.507 21.753 7.150 306 H5 NAG 45 H5 NAG 45 4.492 24.307 5.813 307 H61 NAG 45 H61 NAG 45 7.177 22.984 6.026 308 H62 NAG 45 H62 NAG 45 6.758 24.709 5.938 309 H81 NAG 45 H81 NAG 45 -1.113 20.920 5.874 310 H82 NAG 45 H82 NAG 45 -0.955 21.228 7.625 311 H83 NAG 45 H83 NAG 45 -1.479 22.539 6.532 312 HN2 NAG 45 HN2 NAG 45 1.251 20.170 6.457 313 HO3 NAG 45 HO3 NAG 45 4.050 20.949 8.645 314 HO4 NAG 45 HO4 NAG 45 5.523 22.993 8.978 315 HO6 NAG 45 HO6 NAG 45 6.499 24.538 3.741 Start of MODEL 5 1 H1 LYS 1 HT1 LYS 1 -3.758 -16.960 -1.123 2 H2 LYS 1 HT2 LYS 1 -3.001 -17.496 -2.567 3 H3 LYS 1 HT3 LYS 1 -4.656 -17.043 -2.580 4 HA LYS 1 HA LYS 1 -2.592 -15.147 -1.761 5 HB2 LYS 1 HB2 LYS 1 -2.109 -16.307 -4.012 6 HB3 LYS 1 HB1 LYS 1 -3.537 -15.469 -4.604 7 HG2 LYS 1 HG2 LYS 1 -2.047 -13.894 -5.180 8 HG3 LYS 1 HG1 LYS 1 -2.210 -13.409 -3.491 9 HD2 LYS 1 HD2 LYS 1 -0.188 -15.469 -4.281 10 HD3 LYS 1 HD1 LYS 1 0.160 -13.753 -4.497 11 HE2 LYS 1 HE2 LYS 1 -0.612 -13.564 -2.020 12 HE3 LYS 1 HE1 LYS 1 -0.289 -15.296 -1.976 13 HZ1 LYS 1 HZ1 LYS 1 1.547 -13.422 -1.494 14 HZ2 LYS 1 HZ2 LYS 1 1.807 -13.675 -3.146 15 HZ3 LYS 1 HZ3 LYS 1 1.915 -14.971 -2.066 16 HA PRO 2 HA PRO 2 -6.840 -13.444 -1.385 17 HB2 PRO 2 HB2 PRO 2 -6.333 -11.910 0.776 18 HB3 PRO 2 HB1 PRO 2 -6.672 -13.640 0.907 19 HG2 PRO 2 HG2 PRO 2 -4.037 -12.218 0.953 20 HG3 PRO 2 HG1 PRO 2 -4.611 -13.546 1.980 21 HD2 PRO 2 HD2 PRO 2 -2.961 -13.920 -0.151 22 HD3 PRO 2 HD1 PRO 2 -4.122 -15.143 0.401 23 H ALA 3 HN ALA 3 -7.552 -11.619 -2.332 24 HA ALA 3 HA ALA 3 -5.638 -9.409 -2.707 25 HB1 ALA 3 HB1 ALA 3 -5.715 -10.255 -4.848 26 HB2 ALA 3 HB2 ALA 3 -7.012 -9.061 -4.903 27 HB3 ALA 3 HB3 ALA 3 -7.394 -10.771 -4.700 28 H TRP 4 HN TRP 4 -7.482 -9.576 -0.591 29 HA TRP 4 HA TRP 4 -9.908 -8.228 -1.112 30 HB2 TRP 4 HB2 TRP 4 -8.572 -9.327 1.148 31 HB3 TRP 4 HB1 TRP 4 -9.024 -7.674 1.546 32 HD1 TRP 4 HD1 TRP 4 -10.381 -11.067 1.602 33 HE1 TRP 4 HE1 TRP 4 -12.938 -11.040 1.895 34 HE3 TRP 4 HE3 TRP 4 -11.261 -6.130 0.607 35 HZ2 TRP 4 HZ2 TRP 4 -15.049 -9.172 1.728 36 HZ3 TRP 4 HZ3 TRP 4 -13.577 -5.304 0.695 37 HH2 TRP 4 HH2 TRP 4 -15.430 -6.794 1.244 38 H CYS 5 HN CYS 5 -6.679 -7.109 -0.263 39 HA CYS 5 HA CYS 5 -7.280 -4.445 0.326 40 HB2 CYS 5 HB2 CYS 5 -4.887 -4.010 -0.376 41 HB3 CYS 5 HB1 CYS 5 -5.111 -5.243 0.859 42 H TRP 6 HN TRP 6 -6.922 -6.090 -2.732 43 HA TRP 6 HA TRP 6 -6.683 -3.798 -4.372 44 HB2 TRP 6 HB2 TRP 6 -6.921 -6.645 -4.738 45 HB3 TRP 6 HB1 TRP 6 -7.986 -5.806 -5.861 46 HD1 TRP 6 HD1 TRP 6 -4.629 -7.097 -5.755 47 HE1 TRP 6 HE1 TRP 6 -3.090 -5.925 -7.453 48 HE3 TRP 6 HE3 TRP 6 -7.534 -3.022 -6.811 49 HZ2 TRP 6 HZ2 TRP 6 -3.105 -3.586 -9.031 50 HZ3 TRP 6 HZ3 TRP 6 -6.698 -1.366 -8.426 51 HH2 TRP 6 HH2 TRP 6 -4.529 -1.641 -9.511 52 H TYR 7 HN TYR 7 -9.414 -5.519 -3.020 53 HA TYR 7 HA TYR 7 -11.413 -4.269 -4.609 54 HB2 TYR 7 HB2 TYR 7 -11.511 -5.698 -1.951 55 HB3 TYR 7 HB1 TYR 7 -12.946 -5.052 -2.734 56 HD1 TYR 7 HD1 TYR 7 -10.992 -6.039 -5.390 57 HD2 TYR 7 HD2 TYR 7 -13.232 -7.730 -2.190 58 HE1 TYR 7 HE1 TYR 7 -11.230 -8.127 -6.667 59 HE2 TYR 7 HE2 TYR 7 -13.473 -9.822 -3.459 60 HH TYR 7 HH TYR 7 -11.848 -10.906 -5.551 61 H THR 8 HN THR 8 -9.996 -3.583 -1.449 62 HA THR 8 HA THR 8 -11.691 -1.497 -0.672 63 HB THR 8 HB THR 8 -8.795 -2.075 -0.034 64 HG1 THR 8 HG1 THR 8 -10.020 -3.561 0.935 65 HG21 THR 8 HG21 THR 8 -10.191 0.343 0.522 66 HG22 THR 8 HG22 THR 8 -8.565 -0.141 1.005 67 HG23 THR 8 HG23 THR 8 -9.947 -0.542 2.028 68 H LEU 9 HN LEU 9 -8.726 -1.478 -2.601 69 HA LEU 9 HA LEU 9 -8.801 1.394 -2.920 70 HB2 LEU 9 HB2 LEU 9 -7.021 -0.792 -3.947 71 HB3 LEU 9 HB1 LEU 9 -6.903 0.838 -4.580 72 HG LEU 9 HG LEU 9 -5.280 0.203 -2.728 73 HD11 LEU 9 HD11 LEU 9 -6.301 2.577 -3.459 74 HD12 LEU 9 HD12 LEU 9 -5.077 2.386 -2.204 75 HD13 LEU 9 HD13 LEU 9 -6.777 2.551 -1.761 76 HD21 LEU 9 HD21 LEU 9 -7.596 0.730 -0.894 77 HD22 LEU 9 HD22 LEU 9 -6.001 0.083 -0.509 78 HD23 LEU 9 HD23 LEU 9 -7.165 -0.907 -1.390 79 H ALA 10 HN ALA 10 -9.293 -1.442 -5.004 80 HA ALA 10 HA ALA 10 -9.717 -0.215 -7.426 81 HB1 ALA 10 HB1 ALA 10 -11.004 -2.657 -6.237 82 HB2 ALA 10 HB2 ALA 10 -9.653 -2.571 -7.368 83 HB3 ALA 10 HB3 ALA 10 -11.280 -2.148 -7.903 84 H MET 11 HN MET 11 -11.764 -0.198 -4.628 85 HA MET 11 HA MET 11 -14.097 0.726 -6.068 86 HB2 MET 11 HB2 MET 11 -13.564 0.547 -3.096 87 HB3 MET 11 HB1 MET 11 -15.119 0.911 -3.833 88 HG2 MET 11 HG2 MET 11 -13.924 -1.555 -4.824 89 HG3 MET 11 HG1 MET 11 -14.242 -1.570 -3.087 90 HE1 MET 11 HE1 MET 11 -17.342 -0.801 -2.340 91 HE2 MET 11 HE2 MET 11 -16.029 -1.939 -2.036 92 HE3 MET 11 HE3 MET 11 -17.563 -2.516 -2.687 93 H CYS 12 HN CYS 12 -11.791 2.097 -3.734 94 HA CYS 12 HA CYS 12 -12.810 4.642 -3.490 95 HB2 CYS 12 HB2 CYS 12 -10.485 3.349 -2.712 96 HB3 CYS 12 HB1 CYS 12 -9.902 4.655 -3.735 97 H GLY 13 HN GLY 13 -10.492 3.484 -5.934 98 HA2 GLY 13 HA2 GLY 13 -10.727 4.173 -8.236 99 HA3 GLY 13 HA1 GLY 13 -11.375 5.702 -7.663 100 H ALA 14 HN ALA 14 -8.655 4.461 -5.970 101 HA ALA 14 HA ALA 14 -6.460 5.067 -5.872 102 HB1 ALA 14 HB1 ALA 14 -6.251 6.432 -8.433 103 HB2 ALA 14 HB2 ALA 14 -6.958 4.821 -8.569 104 HB3 ALA 14 HB3 ALA 14 -5.375 5.028 -7.821 105 H GLY 15 HN GLY 15 -5.169 6.891 -5.387 106 HA2 GLY 15 HA2 GLY 15 -4.795 9.036 -4.662 107 HA3 GLY 15 HA1 GLY 15 -5.847 9.553 -5.970 108 H TYR 16 HN TYR 16 -6.039 8.066 -2.738 109 HA TYR 16 HA TYR 16 -7.883 10.070 -1.844 110 HB2 TYR 16 HB2 TYR 16 -8.916 7.603 -2.952 111 HB3 TYR 16 HB1 TYR 16 -9.366 7.768 -1.259 112 HD1 TYR 16 HD2 TYR 16 -10.700 9.726 -0.520 113 HD2 TYR 16 HD1 TYR 16 -9.881 8.999 -4.632 114 HE1 TYR 16 HE2 TYR 16 -12.507 11.270 -1.148 115 HE2 TYR 16 HE1 TYR 16 -11.686 10.541 -5.271 116 HH TYR 16 HH TYR 16 -13.848 11.405 -4.161 117 H ASP 17 HN ASP 17 -8.551 9.701 0.431 118 HA ASP 17 HA ASP 17 -7.188 7.689 1.956 119 HB2 ASP 17 HB2 ASP 17 -5.845 9.280 3.311 120 HB3 ASP 17 HB1 ASP 17 -5.313 9.191 1.635 121 H SER 18 HN SER 18 -9.805 7.995 1.873 122 HA SER 18 HA SER 18 -10.828 9.831 3.819 123 HB2 SER 18 HB2 SER 18 -11.917 8.176 1.812 124 HB3 SER 18 HB1 SER 18 -12.610 7.618 3.334 125 H GLY 19 HN GLY 19 -9.821 6.466 3.819 126 HA2 GLY 19 HA2 GLY 19 -9.326 6.379 6.567 127 HA3 GLY 19 HA1 GLY 19 -10.940 5.735 6.307 128 H THR 20 HN THR 20 -11.178 3.843 4.985 129 HA THR 20 HA THR 20 -9.214 1.882 5.512 130 HB THR 20 HB THR 20 -11.255 1.439 3.385 131 HG1 THR 20 HG1 THR 20 -12.721 2.266 4.640 132 HG21 THR 20 HG21 THR 20 -11.468 -0.431 5.454 133 HG22 THR 20 HG22 THR 20 -9.742 -0.175 5.193 134 HG23 THR 20 HG23 THR 20 -10.775 -0.663 3.849 135 H CYS 21 HN CYS 21 -10.110 3.632 2.567 136 HA CYS 21 HA CYS 21 -8.683 2.331 0.649 137 HB2 CYS 21 HB2 CYS 21 -8.918 5.326 0.987 138 HB3 CYS 21 HB1 CYS 21 -8.438 4.511 -0.498 139 H ASP 22 HN ASP 22 -7.372 4.898 2.750 140 HA ASP 22 HA ASP 22 -4.724 4.641 1.749 141 HB2 ASP 22 HB2 ASP 22 -5.906 6.599 3.070 142 HB3 ASP 22 HB1 ASP 22 -5.252 5.755 4.471 143 H TYR 23 HN TYR 23 -6.366 3.387 4.631 144 HA TYR 23 HA TYR 23 -4.046 2.194 5.749 145 HB2 TYR 23 HB2 TYR 23 -6.559 2.694 6.674 146 HB3 TYR 23 HB1 TYR 23 -6.636 0.954 6.413 147 HD1 TYR 23 HD1 TYR 23 -5.027 3.640 8.329 148 HD2 TYR 23 HD2 TYR 23 -5.323 -0.566 7.758 149 HE1 TYR 23 HE1 TYR 23 -3.854 3.275 10.458 150 HE2 TYR 23 HE2 TYR 23 -4.153 -0.943 9.888 151 HH TYR 23 HH TYR 23 -2.531 1.540 11.558 152 H MET 24 HN MET 24 -6.914 0.543 4.394 153 HA MET 24 HA MET 24 -5.878 -1.982 4.200 154 HB2 MET 24 HB2 MET 24 -8.096 -0.522 3.071 155 HB3 MET 24 HB1 MET 24 -7.442 -1.647 1.894 156 HG2 MET 24 HG2 MET 24 -7.985 -2.592 4.665 157 HG3 MET 24 HG1 MET 24 -9.324 -2.390 3.533 158 HE1 MET 24 HE1 MET 24 -6.841 -5.247 4.750 159 HE2 MET 24 HE2 MET 24 -8.190 -6.196 4.124 160 HE3 MET 24 HE3 MET 24 -8.499 -4.775 5.124 161 H TYR 25 HN TYR 25 -5.303 0.761 2.118 162 HA TYR 25 HA TYR 25 -4.155 -0.591 -0.071 163 HB2 TYR 25 HB2 TYR 25 -4.787 1.671 -0.390 164 HB3 TYR 25 HB1 TYR 25 -3.866 2.213 1.000 165 HD1 TYR 25 HD1 TYR 25 -3.433 0.688 -2.376 166 HD2 TYR 25 HD2 TYR 25 -1.735 3.098 0.690 167 HE1 TYR 25 HE1 TYR 25 -1.544 1.226 -3.856 168 HE2 TYR 25 HE2 TYR 25 0.159 3.645 -0.781 169 HH TYR 25 HH TYR 25 0.521 3.722 -3.365 170 H SER 26 HN SER 26 -2.225 1.570 1.933 171 HA SER 26 HA SER 26 0.218 0.396 1.485 172 HB2 SER 26 HB2 SER 26 -0.596 2.532 2.942 173 HB3 SER 26 HB1 SER 26 -0.169 1.422 4.244 174 HG SER 26 HG SER 26 1.777 2.125 3.853 175 H HIS 27 HN HIS 27 -2.208 -0.533 3.893 176 HA HIS 27 HA HIS 27 -0.723 -2.290 5.445 177 HB2 HIS 27 HB2 HIS 27 -3.175 -1.647 5.737 178 HB3 HIS 27 HB1 HIS 27 -3.542 -2.867 4.521 179 HD1 HIS 27 HD1 HIS 27 -1.878 -5.209 5.372 180 HD2 HIS 27 HD2 HIS 27 -3.865 -2.777 8.092 181 HE1 HIS 27 HE1 HIS 27 -2.160 -6.607 7.443 182 HE2 HIS 27 HE2 HIS 27 -3.437 -5.142 9.046 183 H CYS 28 HN CYS 28 -1.961 -2.583 2.228 184 HA CYS 28 HA CYS 28 -0.989 -5.336 1.973 185 HB2 CYS 28 HB2 CYS 28 -3.326 -4.547 1.188 186 HB3 CYS 28 HB1 CYS 28 -2.466 -3.775 -0.136 187 H PHE 29 HN PHE 29 -0.408 -2.052 1.081 188 HA PHE 29 HA PHE 29 1.421 -1.027 0.233 189 HB2 PHE 29 HB2 PHE 29 2.772 -2.855 1.203 190 HB3 PHE 29 HB1 PHE 29 2.559 -3.780 -0.282 191 HD1 PHE 29 HD2 PHE 29 3.488 -0.259 0.544 192 HD2 PHE 29 HD1 PHE 29 4.432 -3.819 -1.588 193 HE1 PHE 29 HE2 PHE 29 5.462 0.848 -0.421 194 HE2 PHE 29 HE1 PHE 29 6.409 -2.718 -2.557 195 HZ PHE 29 HZ PHE 29 6.924 -0.385 -1.980 196 H GLY 30 HN GLY 30 1.234 0.008 -1.590 197 HA2 GLY 30 HA2 GLY 30 -0.257 -0.837 -3.754 198 HA3 GLY 30 HA1 GLY 30 0.923 0.461 -3.813 199 H ILE 31 HN ILE 31 0.658 -0.861 -6.075 200 HA ILE 31 HA ILE 31 3.178 -2.317 -6.286 201 HB ILE 31 HB ILE 31 1.943 -3.940 -7.897 202 HG12 ILE 31 HG12 ILE 31 -0.372 -3.799 -6.081 203 HG13 ILE 31 HG11 ILE 31 -0.233 -2.441 -7.194 204 HG21 ILE 31 HG21 ILE 31 2.362 -3.992 -5.010 205 HG22 ILE 31 HG22 ILE 31 2.781 -5.184 -6.241 206 HG23 ILE 31 HG23 ILE 31 1.150 -5.146 -5.569 207 HD11 ILE 31 HD11 ILE 31 -1.537 -4.662 -7.806 208 HD12 ILE 31 HD12 ILE 31 0.075 -5.156 -8.325 209 HD13 ILE 31 HD13 ILE 31 -0.669 -3.713 -9.013 210 H LYS 32 HN LYS 32 3.292 0.057 -7.147 211 HA LYS 32 HA LYS 32 2.594 0.044 -10.009 212 HB2 LYS 32 HB2 LYS 32 2.390 2.093 -7.937 213 HB3 LYS 32 HB1 LYS 32 3.222 2.663 -9.375 214 HG2 LYS 32 HG2 LYS 32 0.918 1.221 -10.198 215 HG3 LYS 32 HG1 LYS 32 0.446 2.371 -8.945 216 HD2 LYS 32 HD2 LYS 32 1.161 4.205 -10.185 217 HD3 LYS 32 HD1 LYS 32 2.214 3.224 -11.207 218 HE2 LYS 32 HE2 LYS 32 -0.140 2.115 -11.825 219 HE3 LYS 32 HE1 LYS 32 -0.695 3.734 -11.402 220 HZ1 LYS 32 HZ1 LYS 32 1.297 3.007 -13.477 221 HZ2 LYS 32 HZ2 LYS 32 0.997 4.597 -12.985 222 HZ3 LYS 32 HZ3 LYS 32 -0.231 3.694 -13.717 223 H HIS 33 HN HIS 33 4.877 -1.296 -9.146 224 HA HIS 33 HA HIS 33 7.069 -1.531 -9.714 225 HB2 HIS 33 HB2 HIS 33 6.196 -0.412 -11.855 226 HB3 HIS 33 HB1 HIS 33 6.900 1.072 -11.221 227 HD1 HIS 33 HD1 HIS 33 7.919 -0.199 -13.844 228 HD2 HIS 33 HD2 HIS 33 9.601 -0.867 -10.103 229 HE1 HIS 33 HE1 HIS 33 10.289 -0.913 -14.290 230 HE2 HIS 33 HE2 HIS 33 11.309 -1.240 -12.010 231 H HIS 34 HN HIS 34 8.021 -1.284 -7.744 232 HA HIS 34 HA HIS 34 9.026 1.411 -7.116 233 HB2 HIS 34 HB2 HIS 34 7.144 0.408 -5.605 234 HB3 HIS 34 HB1 HIS 34 8.445 -0.578 -4.948 235 HD1 HIS 34 HD1 HIS 34 10.666 1.109 -4.321 236 HD2 HIS 34 HD2 HIS 34 6.804 2.628 -4.123 237 HE1 HIS 34 HE1 HIS 34 10.812 3.124 -2.824 238 HE2 HIS 34 HE2 HIS 34 8.483 4.084 -2.800 239 H SER 35 HN SER 35 11.125 1.325 -7.620 240 HA SER 35 HA SER 35 12.781 -0.661 -6.276 241 HB2 SER 35 HB2 SER 35 12.221 -1.550 -8.574 242 HB3 SER 35 HB1 SER 35 13.090 -0.170 -9.244 243 HG SER 35 HG SER 35 14.145 -2.417 -8.620 244 H SER 36 HN SER 36 13.446 1.128 -5.017 245 HA SER 36 HA SER 36 14.756 2.901 -4.447 246 HB2 SER 36 HB2 SER 36 16.491 2.588 -6.838 247 HB3 SER 36 HB1 SER 36 16.930 2.724 -5.135 248 HG SER 36 HG SER 36 16.372 0.483 -6.651 249 H GLY 37 HN GLY 37 12.686 4.033 -5.316 250 HA2 GLY 37 HA2 GLY 37 13.579 6.017 -7.312 251 HA3 GLY 37 HA1 GLY 37 11.960 5.336 -7.368 252 H SER 38 HN SER 38 10.882 5.482 -5.034 253 HA SER 38 HA SER 38 10.441 8.229 -4.574 254 HB2 SER 38 HB2 SER 38 8.956 6.096 -4.068 255 HB3 SER 38 HB1 SER 38 9.728 6.213 -2.486 256 HG SER 38 HG SER 38 8.204 7.623 -2.131 257 H SER 39 HN SER 39 10.845 9.473 -2.676 258 HA SER 39 HA SER 39 12.780 8.516 -0.753 259 HB2 SER 39 HB2 SER 39 13.507 10.350 -2.969 260 HB3 SER 39 HB1 SER 39 14.110 10.777 -1.368 261 HG SER 39 HG SER 39 15.487 9.204 -1.506 262 H SER 40 HN SER 40 11.540 11.616 -2.021 263 HA SER 40 HA SER 40 9.835 12.160 0.121 264 HB2 SER 40 HB2 SER 40 12.601 12.601 0.739 265 HB3 SER 40 HB1 SER 40 11.764 14.153 0.705 266 HG SER 40 HG SER 40 10.220 13.231 2.151 267 H TYR 41 HN TYR 41 12.165 13.712 -2.069 268 HA TYR 41 HA TYR 41 10.594 16.051 -2.464 269 HB2 TYR 41 HB2 TYR 41 12.744 14.947 -4.280 270 HB3 TYR 41 HB1 TYR 41 12.171 16.610 -4.208 271 HD1 TYR 41 HD2 TYR 41 12.387 17.720 -1.800 272 HD2 TYR 41 HD1 TYR 41 14.705 14.431 -3.182 273 HE1 TYR 41 HE2 TYR 41 14.120 18.252 -0.139 274 HE2 TYR 41 HE1 TYR 41 16.445 14.953 -1.524 275 HH TYR 41 HH TYR 41 15.967 16.944 1.075 276 H HIS 42 HN HIS 42 8.975 16.446 -3.840 277 HA HIS 42 HA HIS 42 7.265 16.029 -5.288 278 HB2 HIS 42 HB2 HIS 42 9.746 15.253 -6.732 279 HB3 HIS 42 HB1 HIS 42 8.212 14.798 -7.466 280 HD1 HIS 42 HD1 HIS 42 8.586 16.469 -9.413 281 HD2 HIS 42 HD2 HIS 42 8.414 18.233 -5.655 282 HE1 HIS 42 HE1 HIS 42 8.330 18.934 -9.839 283 HE2 HIS 42 HE2 HIS 42 8.161 19.974 -7.551 284 H CYS 43 HN CYS 43 6.400 14.505 -3.683 285 HA CYS 43 HA CYS 43 5.389 12.546 -3.122 286 HB2 CYS 43 HB2 CYS 43 4.493 12.746 -5.421 287 HB3 CYS 43 HB1 CYS 43 5.872 11.833 -6.022 288 H1 NAG 44 H1 NAG 44 -14.472 8.716 4.141 289 H2 NAG 44 H2 NAG 44 -14.475 11.417 3.487 290 H3 NAG 44 H3 NAG 44 -16.579 11.859 2.332 291 H4 NAG 44 H4 NAG 44 -17.596 9.838 1.050 292 H5 NAG 44 H5 NAG 44 -16.809 8.108 3.344 293 H61 NAG 44 H61 NAG 44 -16.289 6.870 0.864 294 H62 NAG 44 H62 NAG 44 -17.732 7.872 0.583 295 H81 NAG 44 H81 NAG 44 -16.867 10.196 7.046 296 H82 NAG 44 H82 NAG 44 -16.176 11.706 7.701 297 H83 NAG 44 H83 NAG 44 -17.632 11.765 6.672 298 HN2 NAG 44 HN2 NAG 44 -16.701 9.847 4.694 299 HO3 NAG 44 HO3 NAG 44 -15.857 11.200 0.281 300 HO4 NAG 44 HO4 NAG 44 -18.642 9.221 3.244 301 HO6 NAG 44 HO6 NAG 44 -18.854 6.544 1.807 302 H1 NAG 45 H1 NAG 45 1.948 10.154 -4.679 303 H2 NAG 45 H2 NAG 45 3.117 12.303 -2.855 304 H3 NAG 45 H3 NAG 45 0.301 11.136 -3.030 305 H4 NAG 45 H4 NAG 45 1.350 13.928 -3.706 306 H5 NAG 45 H5 NAG 45 0.246 11.722 -5.509 307 H61 NAG 45 H61 NAG 45 0.045 14.416 -5.946 308 H62 NAG 45 H62 NAG 45 0.174 13.185 -7.221 309 H81 NAG 45 H81 NAG 45 4.097 9.715 0.752 310 H82 NAG 45 H82 NAG 45 2.926 8.744 -0.186 311 H83 NAG 45 H83 NAG 45 4.661 8.706 -0.610 312 HN2 NAG 45 HN2 NAG 45 2.137 9.580 -2.145 313 HO3 NAG 45 HO3 NAG 45 -0.066 12.345 -1.274 314 HO4 NAG 45 HO4 NAG 45 -0.717 14.232 -3.152 315 HO6 NAG 45 HO6 NAG 45 1.791 15.134 -6.997 Start of MODEL 6 1 H1 LYS 1 HT1 LYS 1 -8.790 -18.331 -3.903 2 H2 LYS 1 HT2 LYS 1 -7.425 -19.178 -3.299 3 H3 LYS 1 HT3 LYS 1 -7.220 -17.933 -4.463 4 HA LYS 1 HA LYS 1 -8.335 -17.529 -1.776 5 HB2 LYS 1 HB2 LYS 1 -6.053 -18.316 -1.593 6 HB3 LYS 1 HB1 LYS 1 -5.526 -17.194 -2.841 7 HG2 LYS 1 HG2 LYS 1 -6.683 -15.536 -0.983 8 HG3 LYS 1 HG1 LYS 1 -5.912 -16.775 0.011 9 HD2 LYS 1 HD2 LYS 1 -4.291 -15.756 -2.227 10 HD3 LYS 1 HD1 LYS 1 -4.640 -14.589 -0.950 11 HE2 LYS 1 HE2 LYS 1 -3.784 -16.195 0.713 12 HE3 LYS 1 HE1 LYS 1 -3.380 -17.306 -0.594 13 HZ1 LYS 1 HZ1 LYS 1 -1.510 -16.208 -1.002 14 HZ2 LYS 1 HZ2 LYS 1 -1.764 -15.354 0.436 15 HZ3 LYS 1 HZ3 LYS 1 -2.291 -14.707 -1.035 16 HA PRO 2 HA PRO 2 -9.427 -13.714 -3.874 17 HB2 PRO 2 HB2 PRO 2 -10.686 -12.513 -1.823 18 HB3 PRO 2 HB1 PRO 2 -11.407 -13.873 -2.696 19 HG2 PRO 2 HG2 PRO 2 -9.979 -13.853 -0.065 20 HG3 PRO 2 HG1 PRO 2 -11.460 -14.710 -0.528 21 HD2 PRO 2 HD2 PRO 2 -8.996 -15.891 -0.434 22 HD3 PRO 2 HD1 PRO 2 -10.303 -16.431 -1.507 23 H ALA 3 HN ALA 3 -9.493 -11.262 -2.838 24 HA ALA 3 HA ALA 3 -7.171 -10.676 -1.233 25 HB1 ALA 3 HB1 ALA 3 -6.604 -9.068 -3.404 26 HB2 ALA 3 HB2 ALA 3 -7.015 -10.620 -4.134 27 HB3 ALA 3 HB3 ALA 3 -5.730 -10.524 -2.930 28 H TRP 4 HN TRP 4 -8.453 -9.502 0.131 29 HA TRP 4 HA TRP 4 -10.443 -7.677 -0.668 30 HB2 TRP 4 HB2 TRP 4 -9.415 -8.679 1.761 31 HB3 TRP 4 HB1 TRP 4 -9.304 -6.927 1.862 32 HD1 TRP 4 HD1 TRP 4 -11.863 -9.747 1.556 33 HE1 TRP 4 HE1 TRP 4 -14.184 -8.826 2.185 34 HE3 TRP 4 HE3 TRP 4 -10.686 -4.790 1.949 35 HZ2 TRP 4 HZ2 TRP 4 -15.358 -6.327 2.769 36 HZ3 TRP 4 HZ3 TRP 4 -12.465 -3.199 2.547 37 HH2 TRP 4 HH2 TRP 4 -14.752 -3.953 2.947 38 H CYS 5 HN CYS 5 -7.045 -7.410 -0.756 39 HA CYS 5 HA CYS 5 -6.560 -4.749 -0.193 40 HB2 CYS 5 HB2 CYS 5 -5.302 -6.492 -2.319 41 HB3 CYS 5 HB1 CYS 5 -4.659 -4.938 -1.799 42 H TRP 6 HN TRP 6 -6.653 -5.857 -3.568 43 HA TRP 6 HA TRP 6 -7.068 -3.458 -4.771 44 HB2 TRP 6 HB2 TRP 6 -8.039 -4.658 -6.665 45 HB3 TRP 6 HB1 TRP 6 -6.635 -5.504 -6.018 46 HD1 TRP 6 HD1 TRP 6 -6.992 -7.878 -5.058 47 HE1 TRP 6 HE1 TRP 6 -8.999 -9.503 -5.004 48 HE3 TRP 6 HE3 TRP 6 -10.655 -4.628 -6.432 49 HZ2 TRP 6 HZ2 TRP 6 -11.791 -9.391 -5.481 50 HZ3 TRP 6 HZ3 TRP 6 -12.972 -5.447 -6.612 51 HH2 TRP 6 HH2 TRP 6 -13.527 -7.780 -6.144 52 H TYR 7 HN TYR 7 -9.574 -5.618 -3.505 53 HA TYR 7 HA TYR 7 -11.867 -4.405 -4.356 54 HB2 TYR 7 HB2 TYR 7 -11.750 -6.450 -2.935 55 HB3 TYR 7 HB1 TYR 7 -11.414 -5.424 -1.544 56 HD1 TYR 7 HD1 TYR 7 -13.809 -4.650 -4.256 57 HD2 TYR 7 HD2 TYR 7 -13.318 -5.925 -0.227 58 HE1 TYR 7 HE1 TYR 7 -16.224 -4.378 -3.882 59 HE2 TYR 7 HE2 TYR 7 -15.732 -5.657 0.158 60 HH TYR 7 HH TYR 7 -17.890 -5.714 -1.579 61 H THR 8 HN THR 8 -10.001 -3.514 -1.463 62 HA THR 8 HA THR 8 -11.601 -1.383 -0.626 63 HB THR 8 HB THR 8 -8.658 -1.964 -0.286 64 HG1 THR 8 HG1 THR 8 -9.804 -3.322 0.940 65 HG21 THR 8 HG21 THR 8 -8.298 0.102 0.428 66 HG22 THR 8 HG22 THR 8 -9.376 -0.266 1.775 67 HG23 THR 8 HG23 THR 8 -10.012 0.512 0.327 68 H LEU 9 HN LEU 9 -9.010 -1.548 -3.001 69 HA LEU 9 HA LEU 9 -8.892 1.288 -3.408 70 HB2 LEU 9 HB2 LEU 9 -7.766 -1.063 -4.908 71 HB3 LEU 9 HB1 LEU 9 -7.558 0.586 -5.462 72 HG LEU 9 HG LEU 9 -6.250 1.166 -3.563 73 HD11 LEU 9 HD11 LEU 9 -7.028 -1.517 -2.434 74 HD12 LEU 9 HD12 LEU 9 -7.523 0.066 -1.834 75 HD13 LEU 9 HD13 LEU 9 -5.833 -0.431 -1.725 76 HD21 LEU 9 HD21 LEU 9 -4.661 -1.024 -3.580 77 HD22 LEU 9 HD22 LEU 9 -4.662 0.212 -4.838 78 HD23 LEU 9 HD23 LEU 9 -5.587 -1.275 -5.061 79 H ALA 10 HN ALA 10 -10.297 -1.425 -5.222 80 HA ALA 10 HA ALA 10 -11.175 -0.181 -7.484 81 HB1 ALA 10 HB1 ALA 10 -12.942 -2.113 -6.022 82 HB2 ALA 10 HB2 ALA 10 -11.430 -2.621 -6.774 83 HB3 ALA 10 HB3 ALA 10 -12.713 -1.920 -7.760 84 H MET 11 HN MET 11 -13.107 -0.493 -4.495 85 HA MET 11 HA MET 11 -15.078 1.366 -5.442 86 HB2 MET 11 HB2 MET 11 -14.724 -0.394 -3.127 87 HB3 MET 11 HB1 MET 11 -15.521 1.126 -2.740 88 HG2 MET 11 HG2 MET 11 -17.085 0.635 -4.673 89 HG3 MET 11 HG1 MET 11 -16.400 -0.991 -4.679 90 HE1 MET 11 HE1 MET 11 -19.943 0.198 -3.235 91 HE2 MET 11 HE2 MET 11 -19.796 -1.529 -3.562 92 HE3 MET 11 HE3 MET 11 -19.123 -0.356 -4.695 93 H CYS 12 HN CYS 12 -12.048 1.701 -3.934 94 HA CYS 12 HA CYS 12 -12.294 3.798 -2.192 95 HB2 CYS 12 HB2 CYS 12 -10.177 2.601 -2.757 96 HB3 CYS 12 HB1 CYS 12 -10.100 3.525 -4.252 97 H GLY 13 HN GLY 13 -12.101 6.065 -2.369 98 HA2 GLY 13 HA2 GLY 13 -12.891 7.148 -5.003 99 HA3 GLY 13 HA1 GLY 13 -13.614 7.709 -3.501 100 H ALA 14 HN ALA 14 -10.487 7.391 -5.141 101 HA ALA 14 HA ALA 14 -8.760 8.876 -5.357 102 HB1 ALA 14 HB1 ALA 14 -9.938 10.945 -3.600 103 HB2 ALA 14 HB2 ALA 14 -10.812 10.572 -5.085 104 HB3 ALA 14 HB3 ALA 14 -9.132 11.104 -5.161 105 H GLY 15 HN GLY 15 -7.961 7.083 -3.905 106 HA2 GLY 15 HA2 GLY 15 -7.772 7.084 -1.193 107 HA3 GLY 15 HA1 GLY 15 -6.463 6.556 -2.237 108 H TYR 16 HN TYR 16 -7.102 8.439 0.302 109 HA TYR 16 HA TYR 16 -4.660 9.687 0.454 110 HB2 TYR 16 HB2 TYR 16 -6.204 10.992 -1.476 111 HB3 TYR 16 HB1 TYR 16 -6.314 12.012 -0.045 112 HD1 TYR 16 HD2 TYR 16 -3.720 11.814 1.189 113 HD2 TYR 16 HD1 TYR 16 -4.705 11.969 -2.947 114 HE1 TYR 16 HE2 TYR 16 -1.500 12.751 0.702 115 HE2 TYR 16 HE1 TYR 16 -2.486 12.907 -3.446 116 HH TYR 16 HH TYR 16 -0.713 14.186 -2.235 117 H ASP 17 HN ASP 17 -5.057 8.968 2.565 118 HA ASP 17 HA ASP 17 -5.793 9.057 4.724 119 HB2 ASP 17 HB2 ASP 17 -6.136 12.013 4.241 120 HB3 ASP 17 HB1 ASP 17 -5.672 11.201 5.732 121 H SER 18 HN SER 18 -7.824 8.213 3.164 122 HA SER 18 HA SER 18 -10.175 9.808 3.877 123 HB2 SER 18 HB2 SER 18 -9.742 8.870 1.506 124 HB3 SER 18 HB1 SER 18 -10.228 7.318 2.187 125 H GLY 19 HN GLY 19 -9.541 6.296 3.698 126 HA2 GLY 19 HA2 GLY 19 -10.155 5.901 6.467 127 HA3 GLY 19 HA1 GLY 19 -11.497 5.453 5.428 128 H THR 20 HN THR 20 -11.270 3.684 4.004 129 HA THR 20 HA THR 20 -9.588 1.608 5.021 130 HB THR 20 HB THR 20 -10.975 1.251 2.425 131 HG1 THR 20 HG1 THR 20 -12.338 1.772 4.851 132 HG21 THR 20 HG21 THR 20 -11.906 -0.569 4.315 133 HG22 THR 20 HG22 THR 20 -10.185 -0.381 4.650 134 HG23 THR 20 HG23 THR 20 -10.724 -0.858 3.040 135 H CYS 21 HN CYS 21 -9.645 3.578 2.090 136 HA CYS 21 HA CYS 21 -7.774 2.281 0.548 137 HB2 CYS 21 HB2 CYS 21 -7.932 5.284 0.816 138 HB3 CYS 21 HB1 CYS 21 -7.414 4.360 -0.590 139 H ASP 22 HN ASP 22 -6.931 5.157 2.479 140 HA ASP 22 HA ASP 22 -4.199 4.900 2.352 141 HB2 ASP 22 HB2 ASP 22 -5.698 6.766 3.391 142 HB3 ASP 22 HB1 ASP 22 -5.477 5.864 4.888 143 H TYR 23 HN TYR 23 -6.427 3.166 4.423 144 HA TYR 23 HA TYR 23 -4.338 2.107 6.104 145 HB2 TYR 23 HB2 TYR 23 -7.070 2.431 6.381 146 HB3 TYR 23 HB1 TYR 23 -6.888 0.692 6.186 147 HD1 TYR 23 HD1 TYR 23 -4.930 3.344 7.955 148 HD2 TYR 23 HD2 TYR 23 -6.931 -0.401 8.215 149 HE1 TYR 23 HE1 TYR 23 -4.264 3.160 10.314 150 HE2 TYR 23 HE2 TYR 23 -6.271 -0.595 10.575 151 HH TYR 23 HH TYR 23 -4.068 1.691 12.063 152 H MET 24 HN MET 24 -6.820 0.325 4.274 153 HA MET 24 HA MET 24 -5.549 -2.089 4.126 154 HB2 MET 24 HB2 MET 24 -7.748 -0.792 2.808 155 HB3 MET 24 HB1 MET 24 -6.848 -1.751 1.644 156 HG2 MET 24 HG2 MET 24 -7.547 -2.990 4.253 157 HG3 MET 24 HG1 MET 24 -8.818 -2.780 3.045 158 HE1 MET 24 HE1 MET 24 -5.553 -4.065 4.053 159 HE2 MET 24 HE2 MET 24 -5.046 -5.262 2.862 160 HE3 MET 24 HE3 MET 24 -6.237 -5.690 4.091 161 H TYR 25 HN TYR 25 -5.328 0.556 1.757 162 HA TYR 25 HA TYR 25 -3.670 -0.618 -0.108 163 HB2 TYR 25 HB2 TYR 25 -4.728 1.638 -0.287 164 HB3 TYR 25 HB1 TYR 25 -3.511 2.258 0.812 165 HD1 TYR 25 HD1 TYR 25 -3.880 0.536 -2.466 166 HD2 TYR 25 HD2 TYR 25 -1.490 3.068 -0.023 167 HE1 TYR 25 HE1 TYR 25 -2.380 0.945 -4.369 168 HE2 TYR 25 HE2 TYR 25 0.018 3.486 -1.920 169 HH TYR 25 HH TYR 25 0.181 3.324 -4.214 170 H SER 26 HN SER 26 -2.485 1.670 2.331 171 HA SER 26 HA SER 26 0.200 1.203 2.108 172 HB2 SER 26 HB2 SER 26 -1.549 2.139 4.320 173 HB3 SER 26 HB1 SER 26 0.100 1.681 4.745 174 HG SER 26 HG SER 26 -0.752 3.659 2.909 175 H HIS 27 HN HIS 27 -1.983 -0.450 4.394 176 HA HIS 27 HA HIS 27 -0.170 -2.168 5.561 177 HB2 HIS 27 HB2 HIS 27 -3.092 -2.170 5.132 178 HB3 HIS 27 HB1 HIS 27 -2.379 -3.744 5.459 179 HD1 HIS 27 HD1 HIS 27 -2.435 -4.297 7.857 180 HD2 HIS 27 HD2 HIS 27 -2.023 -0.209 7.236 181 HE1 HIS 27 HE1 HIS 27 -2.359 -3.273 10.152 182 HE2 HIS 27 HE2 HIS 27 -2.037 -0.806 9.752 183 H CYS 28 HN CYS 28 -2.306 -2.985 2.821 184 HA CYS 28 HA CYS 28 -1.169 -5.452 2.223 185 HB2 CYS 28 HB2 CYS 28 -3.323 -4.461 1.308 186 HB3 CYS 28 HB1 CYS 28 -2.325 -3.572 0.163 187 H PHE 29 HN PHE 29 -0.356 -2.231 0.986 188 HA PHE 29 HA PHE 29 2.096 -3.378 -0.177 189 HB2 PHE 29 HB2 PHE 29 0.767 -0.791 -0.976 190 HB3 PHE 29 HB1 PHE 29 2.104 -1.592 -1.790 191 HD1 PHE 29 HD2 PHE 29 1.061 -4.400 -1.730 192 HD2 PHE 29 HD1 PHE 29 -0.833 -0.710 -2.683 193 HE1 PHE 29 HE2 PHE 29 -0.532 -5.594 -3.177 194 HE2 PHE 29 HE1 PHE 29 -2.428 -1.897 -4.131 195 HZ PHE 29 HZ PHE 29 -2.278 -4.343 -4.380 196 H GLY 30 HN GLY 30 3.189 -3.198 1.830 197 HA2 GLY 30 HA2 GLY 30 3.506 -0.575 3.018 198 HA3 GLY 30 HA1 GLY 30 4.205 -2.073 3.604 199 H ILE 31 HN ILE 31 4.846 -1.891 0.346 200 HA ILE 31 HA ILE 31 6.790 -1.610 -0.809 201 HB ILE 31 HB ILE 31 7.078 0.906 0.830 202 HG12 ILE 31 HG12 ILE 31 5.812 1.126 -1.803 203 HG13 ILE 31 HG11 ILE 31 4.855 0.207 -0.645 204 HG21 ILE 31 HG21 ILE 31 9.027 0.630 -0.424 205 HG22 ILE 31 HG22 ILE 31 8.033 1.698 -1.415 206 HG23 ILE 31 HG23 ILE 31 8.154 -0.017 -1.812 207 HD11 ILE 31 HD11 ILE 31 5.250 3.039 -0.851 208 HD12 ILE 31 HD12 ILE 31 5.733 2.459 0.744 209 HD13 ILE 31 HD13 ILE 31 4.108 2.132 0.140 210 H LYS 32 HN LYS 32 7.783 -3.432 0.252 211 HA LYS 32 HA LYS 32 10.023 -2.617 1.980 212 HB2 LYS 32 HB2 LYS 32 7.994 -4.053 2.962 213 HB3 LYS 32 HB1 LYS 32 8.926 -5.368 2.261 214 HG2 LYS 32 HG2 LYS 32 9.949 -3.372 4.271 215 HG3 LYS 32 HG1 LYS 32 9.463 -5.033 4.615 216 HD2 LYS 32 HD2 LYS 32 11.221 -5.841 3.096 217 HD3 LYS 32 HD1 LYS 32 11.720 -4.174 2.805 218 HE2 LYS 32 HE2 LYS 32 12.664 -3.950 4.874 219 HE3 LYS 32 HE1 LYS 32 11.565 -5.108 5.620 220 HZ1 LYS 32 HZ1 LYS 32 14.050 -5.714 5.213 221 HZ2 LYS 32 HZ2 LYS 32 13.514 -6.071 3.649 222 HZ3 LYS 32 HZ3 LYS 32 12.842 -6.875 4.976 223 H HIS 33 HN HIS 33 10.619 -2.547 -0.538 224 HA HIS 33 HA HIS 33 12.561 -4.566 -0.905 225 HB2 HIS 33 HB2 HIS 33 10.101 -5.451 -1.691 226 HB3 HIS 33 HB1 HIS 33 10.714 -4.763 -3.192 227 HD1 HIS 33 HD1 HIS 33 12.511 -6.053 -4.421 228 HD2 HIS 33 HD2 HIS 33 11.640 -7.638 -0.679 229 HE1 HIS 33 HE1 HIS 33 13.702 -8.267 -4.334 230 HE2 HIS 33 HE2 HIS 33 13.202 -9.185 -2.042 231 H HIS 34 HN HIS 34 12.936 -1.945 -0.837 232 HA HIS 34 HA HIS 34 14.211 -1.356 -3.267 233 HB2 HIS 34 HB2 HIS 34 11.429 -0.651 -3.193 234 HB3 HIS 34 HB1 HIS 34 12.398 0.818 -3.249 235 HD1 HIS 34 HD1 HIS 34 11.482 -2.193 -5.257 236 HD2 HIS 34 HD2 HIS 34 13.821 1.220 -5.637 237 HE1 HIS 34 HE1 HIS 34 12.083 -2.058 -7.695 238 HE2 HIS 34 HE2 HIS 34 13.454 0.044 -7.911 239 H SER 35 HN SER 35 15.253 0.759 -3.259 240 HA SER 35 HA SER 35 15.351 1.982 -0.582 241 HB2 SER 35 HB2 SER 35 17.867 2.158 -2.047 242 HB3 SER 35 HB1 SER 35 17.566 1.631 -0.392 243 HG SER 35 HG SER 35 17.789 -0.336 -1.063 244 H SER 36 HN SER 36 14.738 4.030 -0.670 245 HA SER 36 HA SER 36 14.972 5.492 -3.194 246 HB2 SER 36 HB2 SER 36 13.073 5.480 -0.999 247 HB3 SER 36 HB1 SER 36 13.633 7.115 -1.354 248 HG SER 36 HG SER 36 12.290 5.292 -3.029 249 H GLY 37 HN GLY 37 15.146 6.568 0.198 250 HA2 GLY 37 HA2 GLY 37 17.162 8.520 -0.512 251 HA3 GLY 37 HA1 GLY 37 16.427 8.303 1.069 252 H SER 38 HN SER 38 17.424 7.038 2.583 253 HA SER 38 HA SER 38 19.060 5.826 3.606 254 HB2 SER 38 HB2 SER 38 18.667 4.362 1.474 255 HB3 SER 38 HB1 SER 38 20.220 5.022 0.958 256 HG SER 38 HG SER 38 21.082 3.572 2.193 257 H SER 39 HN SER 39 20.634 6.908 0.594 258 HA SER 39 HA SER 39 22.034 9.051 1.755 259 HB2 SER 39 HB2 SER 39 23.164 7.121 2.929 260 HB3 SER 39 HB1 SER 39 23.767 6.605 1.354 261 HG SER 39 HG SER 39 24.307 9.040 2.704 262 H SER 40 HN SER 40 21.034 9.676 -0.319 263 HA SER 40 HA SER 40 22.840 9.085 -2.572 264 HB2 SER 40 HB2 SER 40 19.917 9.794 -2.864 265 HB3 SER 40 HB1 SER 40 21.010 9.175 -4.101 266 HG SER 40 HG SER 40 19.429 7.720 -2.798 267 H TYR 41 HN TYR 41 20.596 11.474 -1.203 268 HA TYR 41 HA TYR 41 22.307 13.588 -2.329 269 HB2 TYR 41 HB2 TYR 41 19.294 13.465 -2.241 270 HB3 TYR 41 HB1 TYR 41 20.175 14.972 -2.478 271 HD1 TYR 41 HD2 TYR 41 22.175 14.587 -4.353 272 HD2 TYR 41 HD1 TYR 41 18.423 12.589 -4.177 273 HE1 TYR 41 HE2 TYR 41 22.310 14.134 -6.766 274 HE2 TYR 41 HE1 TYR 41 18.547 12.130 -6.590 275 HH TYR 41 HH TYR 41 19.878 13.402 -8.638 276 H HIS 42 HN HIS 42 22.812 15.266 -1.003 277 HA HIS 42 HA HIS 42 21.949 15.006 1.789 278 HB2 HIS 42 HB2 HIS 42 24.428 15.951 0.458 279 HB3 HIS 42 HB1 HIS 42 23.961 16.784 1.937 280 HD1 HIS 42 HD1 HIS 42 26.277 15.649 2.795 281 HD2 HIS 42 HD2 HIS 42 23.067 13.093 2.144 282 HE1 HIS 42 HE1 HIS 42 26.844 13.530 4.026 283 HE2 HIS 42 HE2 HIS 42 24.915 11.975 3.564 284 H CYS 43 HN CYS 43 20.072 16.129 0.131 285 HA CYS 43 HA CYS 43 20.290 19.026 0.429 286 HB2 CYS 43 HB2 CYS 43 19.478 18.083 -1.716 287 HB3 CYS 43 HB1 CYS 43 18.106 17.380 -0.868 288 H1 NAG 44 H1 NAG 44 -11.042 10.772 2.343 289 H2 NAG 44 H2 NAG 44 -12.119 10.426 0.125 290 H3 NAG 44 H3 NAG 44 -14.598 10.439 0.021 291 H4 NAG 44 H4 NAG 44 -15.838 9.693 2.091 292 H5 NAG 44 H5 NAG 44 -14.733 10.357 4.296 293 H61 NAG 44 H61 NAG 44 -13.652 7.974 2.751 294 H62 NAG 44 H62 NAG 44 -15.025 8.012 3.872 295 H81 NAG 44 H81 NAG 44 -12.749 14.685 1.260 296 H82 NAG 44 H82 NAG 44 -11.640 14.939 -0.118 297 H83 NAG 44 H83 NAG 44 -13.388 14.721 -0.407 298 HN2 NAG 44 HN2 NAG 44 -13.381 12.561 1.777 299 HO3 NAG 44 HO3 NAG 44 -14.650 8.281 0.245 300 HO4 NAG 44 HO4 NAG 44 -15.644 11.883 3.058 301 HO6 NAG 44 HO6 NAG 44 -13.516 8.538 5.554 302 H1 NAG 45 H1 NAG 45 17.337 18.532 -3.136 303 H2 NAG 45 H2 NAG 45 15.003 20.120 -1.975 304 H3 NAG 45 H3 NAG 45 15.140 18.140 -4.301 305 H4 NAG 45 H4 NAG 45 14.632 21.155 -4.296 306 H5 NAG 45 H5 NAG 45 17.015 19.554 -5.338 307 H61 NAG 45 H61 NAG 45 18.035 21.793 -5.662 308 H62 NAG 45 H62 NAG 45 16.493 22.555 -5.215 309 H81 NAG 45 H81 NAG 45 13.555 15.693 -0.958 310 H82 NAG 45 H82 NAG 45 14.698 16.349 0.247 311 H83 NAG 45 H83 NAG 45 12.952 16.688 0.396 312 HN2 NAG 45 HN2 NAG 45 15.898 17.440 -1.433 313 HO3 NAG 45 HO3 NAG 45 12.996 18.384 -4.363 314 HO4 NAG 45 HO4 NAG 45 14.750 19.151 -6.334 315 HO6 NAG 45 HO6 NAG 45 16.869 20.755 -7.416 Start of MODEL 7 1 H1 LYS 1 HT1 LYS 1 -5.300 -16.743 3.736 2 H2 LYS 1 HT2 LYS 1 -5.101 -18.271 2.981 3 H3 LYS 1 HT3 LYS 1 -6.528 -17.355 2.708 4 HA LYS 1 HA LYS 1 -3.845 -16.398 1.999 5 HB2 LYS 1 HB2 LYS 1 -4.640 -17.101 -0.351 6 HB3 LYS 1 HB1 LYS 1 -4.036 -18.354 0.723 7 HG2 LYS 1 HG2 LYS 1 -6.108 -19.287 1.030 8 HG3 LYS 1 HG1 LYS 1 -6.957 -17.782 0.673 9 HD2 LYS 1 HD2 LYS 1 -5.372 -19.184 -1.448 10 HD3 LYS 1 HD1 LYS 1 -7.016 -19.699 -1.065 11 HE2 LYS 1 HE2 LYS 1 -7.469 -17.092 -1.296 12 HE3 LYS 1 HE1 LYS 1 -6.049 -17.196 -2.335 13 HZ1 LYS 1 HZ1 LYS 1 -8.732 -18.125 -2.799 14 HZ2 LYS 1 HZ2 LYS 1 -7.554 -19.285 -3.157 15 HZ3 LYS 1 HZ3 LYS 1 -7.502 -17.770 -3.907 16 HA PRO 2 HA PRO 2 -7.138 -13.130 1.707 17 HB2 PRO 2 HB2 PRO 2 -5.636 -11.134 2.757 18 HB3 PRO 2 HB1 PRO 2 -6.557 -12.263 3.757 19 HG2 PRO 2 HG2 PRO 2 -3.641 -12.278 3.079 20 HG3 PRO 2 HG1 PRO 2 -4.429 -12.581 4.639 21 HD2 PRO 2 HD2 PRO 2 -3.540 -14.578 3.033 22 HD3 PRO 2 HD1 PRO 2 -4.950 -14.758 4.095 23 H ALA 3 HN ALA 3 -7.262 -11.395 0.253 24 HA ALA 3 HA ALA 3 -5.069 -10.241 -1.076 25 HB1 ALA 3 HB1 ALA 3 -4.623 -12.247 -2.186 26 HB2 ALA 3 HB2 ALA 3 -5.559 -11.310 -3.351 27 HB3 ALA 3 HB3 ALA 3 -6.334 -12.599 -2.431 28 H TRP 4 HN TRP 4 -7.481 -9.353 0.090 29 HA TRP 4 HA TRP 4 -9.088 -8.482 -2.200 30 HB2 TRP 4 HB2 TRP 4 -10.631 -7.646 -0.328 31 HB3 TRP 4 HB1 TRP 4 -10.512 -9.381 -0.571 32 HD1 TRP 4 HD1 TRP 4 -9.054 -10.754 1.272 33 HE1 TRP 4 HE1 TRP 4 -8.611 -10.245 3.758 34 HE3 TRP 4 HE3 TRP 4 -10.294 -5.808 1.301 35 HZ2 TRP 4 HZ2 TRP 4 -8.772 -8.026 5.502 36 HZ3 TRP 4 HZ3 TRP 4 -10.127 -4.556 3.417 37 HH2 TRP 4 HH2 TRP 4 -9.381 -5.644 5.471 38 H CYS 5 HN CYS 5 -6.428 -7.419 -1.518 39 HA CYS 5 HA CYS 5 -6.604 -4.893 -0.299 40 HB2 CYS 5 HB2 CYS 5 -4.676 -5.551 -2.520 41 HB3 CYS 5 HB1 CYS 5 -4.432 -4.482 -1.144 42 H TRP 6 HN TRP 6 -6.346 -5.628 -3.783 43 HA TRP 6 HA TRP 6 -6.814 -3.131 -4.796 44 HB2 TRP 6 HB2 TRP 6 -7.776 -4.303 -6.799 45 HB3 TRP 6 HB1 TRP 6 -6.197 -4.888 -6.279 46 HD1 TRP 6 HD1 TRP 6 -6.004 -7.372 -5.633 47 HE1 TRP 6 HE1 TRP 6 -7.655 -9.357 -5.567 48 HE3 TRP 6 HE3 TRP 6 -10.339 -4.791 -6.260 49 HZ2 TRP 6 HZ2 TRP 6 -10.455 -9.753 -5.756 50 HZ3 TRP 6 HZ3 TRP 6 -12.471 -6.030 -6.307 51 HH2 TRP 6 HH2 TRP 6 -12.523 -8.460 -6.058 52 H TYR 7 HN TYR 7 -9.129 -5.432 -3.533 53 HA TYR 7 HA TYR 7 -11.520 -4.349 -4.428 54 HB2 TYR 7 HB2 TYR 7 -10.700 -6.219 -2.442 55 HB3 TYR 7 HB1 TYR 7 -11.853 -5.117 -1.698 56 HD1 TYR 7 HD2 TYR 7 -13.646 -4.548 -3.990 57 HD2 TYR 7 HD1 TYR 7 -11.880 -8.188 -2.695 58 HE1 TYR 7 HE2 TYR 7 -15.496 -5.799 -5.019 59 HE2 TYR 7 HE1 TYR 7 -13.724 -9.458 -3.719 60 HH TYR 7 HH TYR 7 -15.512 -8.666 -5.898 61 H THR 8 HN THR 8 -9.870 -3.684 -1.354 62 HA THR 8 HA THR 8 -11.468 -1.653 -0.399 63 HB THR 8 HB THR 8 -8.485 -2.066 -0.162 64 HG1 THR 8 HG1 THR 8 -9.898 -3.601 0.818 65 HG21 THR 8 HG21 THR 8 -9.859 0.295 0.542 66 HG22 THR 8 HG22 THR 8 -8.197 -0.162 0.917 67 HG23 THR 8 HG23 THR 8 -9.501 -0.576 2.032 68 H LEU 9 HN LEU 9 -9.031 -1.553 -2.905 69 HA LEU 9 HA LEU 9 -9.057 1.327 -3.111 70 HB2 LEU 9 HB2 LEU 9 -7.805 -0.876 -4.728 71 HB3 LEU 9 HB1 LEU 9 -7.752 0.795 -5.254 72 HG LEU 9 HG LEU 9 -5.711 -0.050 -4.025 73 HD11 LEU 9 HD11 LEU 9 -5.721 2.036 -2.473 74 HD12 LEU 9 HD12 LEU 9 -7.252 2.394 -3.271 75 HD13 LEU 9 HD13 LEU 9 -5.774 2.246 -4.223 76 HD21 LEU 9 HD21 LEU 9 -5.764 -0.386 -1.706 77 HD22 LEU 9 HD22 LEU 9 -7.164 -1.270 -2.313 78 HD23 LEU 9 HD23 LEU 9 -7.380 0.307 -1.553 79 H ALA 10 HN ALA 10 -10.472 -1.402 -4.831 80 HA ALA 10 HA ALA 10 -11.539 0.047 -7.003 81 HB1 ALA 10 HB1 ALA 10 -13.021 -2.336 -6.096 82 HB2 ALA 10 HB2 ALA 10 -11.308 -2.574 -6.444 83 HB3 ALA 10 HB3 ALA 10 -12.380 -1.933 -7.688 84 H MET 11 HN MET 11 -12.875 -0.842 -3.847 85 HA MET 11 HA MET 11 -15.438 0.330 -4.400 86 HB2 MET 11 HB2 MET 11 -16.015 -0.265 -2.155 87 HB3 MET 11 HB1 MET 11 -15.089 -1.591 -2.844 88 HG2 MET 11 HG2 MET 11 -13.063 -0.518 -1.707 89 HG3 MET 11 HG1 MET 11 -14.245 0.414 -0.786 90 HE1 MET 11 HE1 MET 11 -16.043 -0.456 0.494 91 HE2 MET 11 HE2 MET 11 -15.909 -1.875 1.533 92 HE3 MET 11 HE3 MET 11 -16.639 -2.018 -0.066 93 H CYS 12 HN CYS 12 -12.534 1.772 -3.910 94 HA CYS 12 HA CYS 12 -13.231 3.771 -1.993 95 HB2 CYS 12 HB2 CYS 12 -10.878 2.921 -3.106 96 HB3 CYS 12 HB1 CYS 12 -11.132 4.452 -3.937 97 H GLY 13 HN GLY 13 -12.717 3.929 -5.526 98 HA2 GLY 13 HA2 GLY 13 -14.146 5.033 -7.049 99 HA3 GLY 13 HA1 GLY 13 -14.888 5.882 -5.702 100 H ALA 14 HN ALA 14 -11.424 5.651 -6.168 101 HA ALA 14 HA ALA 14 -9.826 7.200 -6.647 102 HB1 ALA 14 HB1 ALA 14 -11.902 7.739 -8.460 103 HB2 ALA 14 HB2 ALA 14 -10.208 8.211 -8.585 104 HB3 ALA 14 HB3 ALA 14 -11.375 9.301 -7.835 105 H GLY 15 HN GLY 15 -10.063 7.383 -4.211 106 HA2 GLY 15 HA2 GLY 15 -10.613 10.206 -3.557 107 HA3 GLY 15 HA1 GLY 15 -11.193 8.917 -2.512 108 H TYR 16 HN TYR 16 -9.009 11.210 -2.540 109 HA TYR 16 HA TYR 16 -6.640 9.722 -1.823 110 HB2 TYR 16 HB2 TYR 16 -7.234 12.684 -1.631 111 HB3 TYR 16 HB1 TYR 16 -5.656 11.942 -1.385 112 HD1 TYR 16 HD2 TYR 16 -4.751 10.523 -3.387 113 HD2 TYR 16 HD1 TYR 16 -7.802 13.466 -3.739 114 HE1 TYR 16 HE2 TYR 16 -4.280 10.713 -5.793 115 HE2 TYR 16 HE1 TYR 16 -7.342 13.663 -6.146 116 HH TYR 16 HH TYR 16 -5.566 11.440 -7.869 117 H ASP 17 HN ASP 17 -6.701 8.647 0.050 118 HA ASP 17 HA ASP 17 -6.976 8.165 2.259 119 HB2 ASP 17 HB2 ASP 17 -5.353 10.213 2.202 120 HB3 ASP 17 HB1 ASP 17 -6.722 11.090 2.879 121 H SER 18 HN SER 18 -9.182 7.581 2.014 122 HA SER 18 HA SER 18 -11.097 9.592 2.996 123 HB2 SER 18 HB2 SER 18 -11.423 8.531 0.676 124 HB3 SER 18 HB1 SER 18 -11.853 7.060 1.547 125 H GLY 19 HN GLY 19 -9.898 6.313 3.385 126 HA2 GLY 19 HA2 GLY 19 -10.470 6.199 6.122 127 HA3 GLY 19 HA1 GLY 19 -11.795 5.422 5.269 128 H THR 20 HN THR 20 -11.372 3.524 4.038 129 HA THR 20 HA THR 20 -9.354 1.862 5.228 130 HB THR 20 HB THR 20 -10.843 0.918 2.845 131 HG1 THR 20 HG1 THR 20 -12.781 0.891 3.854 132 HG21 THR 20 HG21 THR 20 -10.462 -0.232 5.598 133 HG22 THR 20 HG22 THR 20 -9.554 -0.664 4.149 134 HG23 THR 20 HG23 THR 20 -11.277 -1.027 4.252 135 H CYS 21 HN CYS 21 -9.763 3.612 2.251 136 HA CYS 21 HA CYS 21 -8.039 2.355 0.530 137 HB2 CYS 21 HB2 CYS 21 -9.230 4.944 0.750 138 HB3 CYS 21 HB1 CYS 21 -7.549 5.141 0.270 139 H ASP 22 HN ASP 22 -7.029 5.194 2.431 140 HA ASP 22 HA ASP 22 -4.306 4.908 2.028 141 HB2 ASP 22 HB2 ASP 22 -5.832 6.745 3.271 142 HB3 ASP 22 HB1 ASP 22 -5.133 5.946 4.676 143 H TYR 23 HN TYR 23 -6.346 3.368 4.452 144 HA TYR 23 HA TYR 23 -4.119 2.305 5.920 145 HB2 TYR 23 HB2 TYR 23 -6.345 2.801 6.945 146 HB3 TYR 23 HB1 TYR 23 -7.012 1.441 6.048 147 HD1 TYR 23 HD1 TYR 23 -4.324 2.273 8.496 148 HD2 TYR 23 HD2 TYR 23 -7.005 -0.674 7.005 149 HE1 TYR 23 HE1 TYR 23 -3.660 0.757 10.316 150 HE2 TYR 23 HE2 TYR 23 -6.349 -2.198 8.819 151 HH TYR 23 HH TYR 23 -3.782 -2.111 10.458 152 H MET 24 HN MET 24 -6.774 0.479 4.385 153 HA MET 24 HA MET 24 -5.557 -1.959 4.242 154 HB2 MET 24 HB2 MET 24 -7.858 -0.762 3.140 155 HB3 MET 24 HB1 MET 24 -7.021 -1.539 1.802 156 HG2 MET 24 HG2 MET 24 -7.216 -3.179 4.219 157 HG3 MET 24 HG1 MET 24 -8.764 -2.767 3.480 158 HE1 MET 24 HE1 MET 24 -5.995 -5.986 2.532 159 HE2 MET 24 HE2 MET 24 -5.823 -4.695 3.722 160 HE3 MET 24 HE3 MET 24 -5.102 -4.521 2.122 161 H TYR 25 HN TYR 25 -5.281 0.678 1.888 162 HA TYR 25 HA TYR 25 -3.875 -0.550 -0.130 163 HB2 TYR 25 HB2 TYR 25 -4.580 1.753 -0.312 164 HB3 TYR 25 HB1 TYR 25 -3.519 2.232 0.997 165 HD1 TYR 25 HD1 TYR 25 -3.675 1.203 -2.526 166 HD2 TYR 25 HD2 TYR 25 -1.159 2.560 0.625 167 HE1 TYR 25 HE1 TYR 25 -1.896 1.673 -4.157 168 HE2 TYR 25 HE2 TYR 25 0.627 3.035 -0.996 169 HH TYR 25 HH TYR 25 0.363 3.534 -3.933 170 H SER 26 HN SER 26 -2.176 1.521 2.180 171 HA SER 26 HA SER 26 0.348 0.421 1.776 172 HB2 SER 26 HB2 SER 26 -0.585 1.581 4.403 173 HB3 SER 26 HB1 SER 26 1.047 1.593 3.740 174 HG SER 26 HG SER 26 0.266 2.970 2.079 175 H HIS 27 HN HIS 27 -2.259 -0.615 3.897 176 HA HIS 27 HA HIS 27 -0.903 -2.366 5.573 177 HB2 HIS 27 HB2 HIS 27 -3.403 -1.749 5.563 178 HB3 HIS 27 HB1 HIS 27 -3.589 -3.031 4.372 179 HD1 HIS 27 HD1 HIS 27 -3.575 -2.446 7.937 180 HD2 HIS 27 HD2 HIS 27 -2.684 -5.640 5.434 181 HE1 HIS 27 HE1 HIS 27 -3.628 -4.485 9.407 182 HE2 HIS 27 HE2 HIS 27 -3.004 -6.396 7.887 183 H CYS 28 HN CYS 28 -2.063 -2.785 2.296 184 HA CYS 28 HA CYS 28 -1.021 -5.490 2.107 185 HB2 CYS 28 HB2 CYS 28 -3.174 -4.602 0.990 186 HB3 CYS 28 HB1 CYS 28 -2.096 -3.832 -0.167 187 H PHE 29 HN PHE 29 -0.139 -2.231 1.389 188 HA PHE 29 HA PHE 29 1.769 -1.261 0.697 189 HB2 PHE 29 HB2 PHE 29 2.984 -2.721 2.127 190 HB3 PHE 29 HB1 PHE 29 2.845 -4.062 0.997 191 HD1 PHE 29 HD1 PHE 29 4.266 -0.639 1.308 192 HD2 PHE 29 HD2 PHE 29 4.549 -4.476 -0.511 193 HE1 PHE 29 HE1 PHE 29 6.415 0.003 0.298 194 HE2 PHE 29 HE2 PHE 29 6.699 -3.841 -1.524 195 HZ PHE 29 HZ PHE 29 7.635 -1.599 -1.120 196 H GLY 30 HN GLY 30 1.102 -0.573 -1.230 197 HA2 GLY 30 HA2 GLY 30 0.822 -0.461 -3.502 198 HA3 GLY 30 HA1 GLY 30 2.406 -1.219 -3.532 199 H ILE 31 HN ILE 31 -0.929 -1.591 -4.176 200 HA ILE 31 HA ILE 31 -0.774 -4.482 -4.459 201 HB ILE 31 HB ILE 31 -3.130 -4.329 -5.184 202 HG12 ILE 31 HG12 ILE 31 -3.852 -1.738 -4.413 203 HG13 ILE 31 HG11 ILE 31 -2.427 -1.524 -5.425 204 HG21 ILE 31 HG21 ILE 31 -2.596 -4.624 -2.832 205 HG22 ILE 31 HG22 ILE 31 -4.041 -3.632 -3.018 206 HG23 ILE 31 HG23 ILE 31 -2.498 -2.876 -2.619 207 HD11 ILE 31 HD11 ILE 31 -4.212 -3.404 -6.640 208 HD12 ILE 31 HD12 ILE 31 -3.622 -1.858 -7.252 209 HD13 ILE 31 HD13 ILE 31 -5.069 -1.915 -6.245 210 H LYS 32 HN LYS 32 1.080 -3.709 -6.075 211 HA LYS 32 HA LYS 32 -0.124 -3.654 -8.766 212 HB2 LYS 32 HB2 LYS 32 1.368 -1.671 -7.881 213 HB3 LYS 32 HB1 LYS 32 2.688 -2.756 -8.292 214 HG2 LYS 32 HG2 LYS 32 0.909 -2.736 -10.484 215 HG3 LYS 32 HG1 LYS 32 1.169 -1.060 -9.995 216 HD2 LYS 32 HD2 LYS 32 3.406 -3.029 -10.439 217 HD3 LYS 32 HD1 LYS 32 2.797 -1.952 -11.696 218 HE2 LYS 32 HE2 LYS 32 3.284 -0.034 -10.158 219 HE3 LYS 32 HE1 LYS 32 4.081 -1.181 -9.081 220 HZ1 LYS 32 HZ1 LYS 32 5.638 -1.714 -10.832 221 HZ2 LYS 32 HZ2 LYS 32 5.649 -0.047 -10.550 222 HZ3 LYS 32 HZ3 LYS 32 4.851 -0.668 -11.905 223 H HIS 33 HN HIS 33 0.267 -6.043 -7.339 224 HA HIS 33 HA HIS 33 1.220 -8.109 -7.479 225 HB2 HIS 33 HB2 HIS 33 0.457 -7.422 -9.943 226 HB3 HIS 33 HB1 HIS 33 2.187 -7.553 -10.240 227 HD1 HIS 33 HD1 HIS 33 -0.818 -9.604 -9.349 228 HD2 HIS 33 HD2 HIS 33 3.212 -10.149 -10.204 229 HE1 HIS 33 HE1 HIS 33 -0.528 -12.081 -9.671 230 HE2 HIS 33 HE2 HIS 33 1.927 -12.393 -10.146 231 H HIS 34 HN HIS 34 2.870 -6.982 -5.987 232 HA HIS 34 HA HIS 34 5.465 -7.874 -6.774 233 HB2 HIS 34 HB2 HIS 34 4.953 -5.348 -7.638 234 HB3 HIS 34 HB1 HIS 34 5.626 -5.017 -6.044 235 HD1 HIS 34 HD1 HIS 34 7.729 -7.370 -6.083 236 HD2 HIS 34 HD2 HIS 34 7.151 -4.574 -9.103 237 HE1 HIS 34 HE1 HIS 34 9.896 -7.299 -7.357 238 HE2 HIS 34 HE2 HIS 34 9.500 -5.651 -9.222 239 H SER 35 HN SER 35 5.639 -9.047 -4.939 240 HA SER 35 HA SER 35 5.691 -7.542 -2.411 241 HB2 SER 35 HB2 SER 35 4.710 -9.464 -1.250 242 HB3 SER 35 HB1 SER 35 3.629 -8.896 -2.522 243 HG SER 35 HG SER 35 4.487 -10.588 -3.848 244 H SER 36 HN SER 36 7.956 -7.929 -3.905 245 HA SER 36 HA SER 36 9.382 -10.015 -2.388 246 HB2 SER 36 HB2 SER 36 9.279 -9.511 -5.238 247 HB3 SER 36 HB1 SER 36 10.934 -9.412 -4.642 248 HG SER 36 HG SER 36 9.154 -11.564 -4.136 249 H GLY 37 HN GLY 37 10.317 -8.905 -0.761 250 HA2 GLY 37 HA2 GLY 37 12.629 -7.541 -0.933 251 HA3 GLY 37 HA1 GLY 37 11.444 -6.272 -1.201 252 H SER 38 HN SER 38 13.291 -6.405 0.967 253 HA SER 38 HA SER 38 13.410 -6.226 3.235 254 HB2 SER 38 HB2 SER 38 10.994 -4.933 2.355 255 HB3 SER 38 HB1 SER 38 10.748 -5.620 3.960 256 HG SER 38 HG SER 38 12.279 -3.493 3.185 257 H SER 39 HN SER 39 13.770 -8.504 3.480 258 HA SER 39 HA SER 39 11.498 -9.874 4.758 259 HB2 SER 39 HB2 SER 39 13.481 -10.891 2.758 260 HB3 SER 39 HB1 SER 39 12.825 -12.004 3.958 261 HG SER 39 HG SER 39 11.653 -11.778 1.885 262 H SER 40 HN SER 40 12.553 -8.685 6.622 263 HA SER 40 HA SER 40 15.083 -9.487 7.594 264 HB2 SER 40 HB2 SER 40 12.976 -7.729 8.413 265 HB3 SER 40 HB1 SER 40 13.444 -8.732 9.786 266 HG SER 40 HG SER 40 15.659 -8.111 9.245 267 H TYR 41 HN TYR 41 11.789 -10.484 8.506 268 HA TYR 41 HA TYR 41 12.891 -12.685 10.078 269 HB2 TYR 41 HB2 TYR 41 10.129 -11.513 9.800 270 HB3 TYR 41 HB1 TYR 41 10.403 -13.052 10.610 271 HD1 TYR 41 HD1 TYR 41 12.295 -12.976 12.474 272 HD2 TYR 41 HD2 TYR 41 10.121 -9.594 11.080 273 HE1 TYR 41 HE1 TYR 41 12.820 -11.785 14.559 274 HE2 TYR 41 HE2 TYR 41 10.641 -8.394 13.161 275 HH TYR 41 HH TYR 41 13.006 -9.337 15.287 276 H HIS 42 HN HIS 42 12.963 -14.722 9.380 277 HA HIS 42 HA HIS 42 11.570 -15.368 6.868 278 HB2 HIS 42 HB2 HIS 42 14.256 -15.556 7.428 279 HB3 HIS 42 HB1 HIS 42 13.696 -17.201 7.712 280 HD1 HIS 42 HD1 HIS 42 15.158 -17.825 5.578 281 HD2 HIS 42 HD2 HIS 42 11.851 -15.416 4.853 282 HE1 HIS 42 HE1 HIS 42 14.773 -17.941 3.095 283 HE2 HIS 42 HE2 HIS 42 12.791 -16.445 2.674 284 H CYS 43 HN CYS 43 11.604 -18.035 6.808 285 HA CYS 43 HA CYS 43 9.478 -18.779 8.479 286 HB2 CYS 43 HB2 CYS 43 11.381 -20.668 7.085 287 HB3 CYS 43 HB1 CYS 43 9.715 -20.987 7.554 288 H1 NAG 44 H1 NAG 44 -13.833 6.809 0.975 289 H2 NAG 44 H2 NAG 44 -14.415 7.637 3.607 290 H3 NAG 44 H3 NAG 44 -16.860 7.494 3.761 291 H4 NAG 44 H4 NAG 44 -18.209 7.767 1.646 292 H5 NAG 44 H5 NAG 44 -17.003 8.544 0.393 293 H61 NAG 44 H61 NAG 44 -18.153 7.160 -0.937 294 H62 NAG 44 H62 NAG 44 -17.020 8.390 -1.542 295 H81 NAG 44 H81 NAG 44 -15.172 3.294 2.864 296 H82 NAG 44 H82 NAG 44 -16.561 3.284 3.985 297 H83 NAG 44 H83 NAG 44 -14.896 3.273 4.627 298 HN2 NAG 44 HN2 NAG 44 -14.650 5.275 2.057 299 HO3 NAG 44 HO3 NAG 44 -16.795 9.587 3.509 300 HO4 NAG 44 HO4 NAG 44 -17.565 5.469 0.936 301 HO6 NAG 44 HO6 NAG 44 -15.677 6.828 -2.248 302 H1 NAG 45 H1 NAG 45 8.089 -21.235 6.079 303 H2 NAG 45 H2 NAG 45 7.097 -18.494 5.171 304 H3 NAG 45 H3 NAG 45 5.605 -20.940 6.240 305 H4 NAG 45 H4 NAG 45 5.605 -19.654 3.465 306 H5 NAG 45 H5 NAG 45 6.677 -22.353 4.412 307 H61 NAG 45 H61 NAG 45 6.213 -22.879 2.246 308 H62 NAG 45 H62 NAG 45 7.742 -22.016 1.972 309 H81 NAG 45 H81 NAG 45 7.620 -17.937 9.498 310 H82 NAG 45 H82 NAG 45 6.473 -16.580 9.334 311 H83 NAG 45 H83 NAG 45 5.878 -18.201 9.784 312 HN2 NAG 45 HN2 NAG 45 7.778 -19.461 7.793 313 HO3 NAG 45 HO3 NAG 45 4.042 -19.552 6.506 314 HO4 NAG 45 HO4 NAG 45 3.706 -20.633 3.500 315 HO6 NAG 45 HO6 NAG 45 5.115 -21.233 1.384 Start of MODEL 8 1 H1 LYS 1 HT1 LYS 1 -3.782 -17.294 -3.708 2 H2 LYS 1 HT2 LYS 1 -4.342 -16.117 -4.824 3 H3 LYS 1 HT3 LYS 1 -5.414 -16.772 -3.654 4 HA LYS 1 HA LYS 1 -4.028 -15.831 -1.913 5 HB2 LYS 1 HB2 LYS 1 -2.412 -15.269 -4.270 6 HB3 LYS 1 HB1 LYS 1 -2.682 -13.827 -3.303 7 HG2 LYS 1 HG2 LYS 1 -0.879 -14.533 -2.182 8 HG3 LYS 1 HG1 LYS 1 -2.025 -15.605 -1.375 9 HD2 LYS 1 HD2 LYS 1 -1.481 -17.140 -3.470 10 HD3 LYS 1 HD1 LYS 1 0.018 -16.209 -3.447 11 HE2 LYS 1 HE2 LYS 1 -0.658 -17.034 -0.785 12 HE3 LYS 1 HE1 LYS 1 -0.667 -18.431 -1.862 13 HZ1 LYS 1 HZ1 LYS 1 1.566 -16.537 -1.393 14 HZ2 LYS 1 HZ2 LYS 1 1.567 -17.684 -2.635 15 HZ3 LYS 1 HZ3 LYS 1 1.520 -18.187 -1.021 16 HA PRO 2 HA PRO 2 -7.511 -13.055 -3.051 17 HB2 PRO 2 HB2 PRO 2 -8.825 -13.267 -0.707 18 HB3 PRO 2 HB1 PRO 2 -8.967 -14.486 -1.979 19 HG2 PRO 2 HG2 PRO 2 -7.300 -14.524 0.505 20 HG3 PRO 2 HG1 PRO 2 -8.263 -15.826 -0.216 21 HD2 PRO 2 HD2 PRO 2 -5.559 -15.613 -0.517 22 HD3 PRO 2 HD1 PRO 2 -6.618 -16.376 -1.720 23 H ALA 3 HN ALA 3 -6.775 -11.014 -3.027 24 HA ALA 3 HA ALA 3 -5.791 -9.905 -0.484 25 HB1 ALA 3 HB1 ALA 3 -4.478 -9.957 -2.840 26 HB2 ALA 3 HB2 ALA 3 -4.225 -8.729 -1.600 27 HB3 ALA 3 HB3 ALA 3 -5.293 -8.397 -2.963 28 H TRP 4 HN TRP 4 -8.053 -9.606 0.140 29 HA TRP 4 HA TRP 4 -9.994 -8.169 -1.136 30 HB2 TRP 4 HB2 TRP 4 -9.510 -9.037 1.505 31 HB3 TRP 4 HB1 TRP 4 -9.920 -7.329 1.616 32 HD1 TRP 4 HD1 TRP 4 -11.486 -10.663 1.358 33 HE1 TRP 4 HE1 TRP 4 -14.012 -10.445 0.920 34 HE3 TRP 4 HE3 TRP 4 -11.675 -5.699 0.152 35 HZ2 TRP 4 HZ2 TRP 4 -15.843 -8.435 0.164 36 HZ3 TRP 4 HZ3 TRP 4 -13.853 -4.706 -0.417 37 HH2 TRP 4 HH2 TRP 4 -15.894 -6.047 -0.410 38 H CYS 5 HN CYS 5 -7.044 -6.963 0.238 39 HA CYS 5 HA CYS 5 -7.584 -4.304 0.670 40 HB2 CYS 5 HB2 CYS 5 -5.242 -3.877 0.337 41 HB3 CYS 5 HB1 CYS 5 -5.407 -5.459 1.092 42 H TRP 6 HN TRP 6 -6.898 -5.898 -2.423 43 HA TRP 6 HA TRP 6 -6.726 -3.603 -3.990 44 HB2 TRP 6 HB2 TRP 6 -6.568 -5.008 -5.759 45 HB3 TRP 6 HB1 TRP 6 -6.385 -6.216 -4.496 46 HD1 TRP 6 HD1 TRP 6 -8.853 -7.427 -3.790 47 HE1 TRP 6 HE1 TRP 6 -10.682 -8.271 -5.403 48 HE3 TRP 6 HE3 TRP 6 -7.602 -4.684 -7.888 49 HZ2 TRP 6 HZ2 TRP 6 -11.482 -7.813 -8.080 50 HZ3 TRP 6 HZ3 TRP 6 -8.941 -4.933 -9.944 51 HH2 TRP 6 HH2 TRP 6 -10.842 -6.464 -10.034 52 H TYR 7 HN TYR 7 -9.553 -5.517 -3.074 53 HA TYR 7 HA TYR 7 -11.456 -4.186 -4.622 54 HB2 TYR 7 HB2 TYR 7 -11.461 -6.025 -2.368 55 HB3 TYR 7 HB1 TYR 7 -12.781 -4.863 -2.265 56 HD1 TYR 7 HD1 TYR 7 -13.293 -4.491 -5.201 57 HD2 TYR 7 HD2 TYR 7 -12.630 -8.003 -2.894 58 HE1 TYR 7 HE1 TYR 7 -14.578 -5.801 -6.839 59 HE2 TYR 7 HE2 TYR 7 -13.913 -9.324 -4.525 60 HH TYR 7 HH TYR 7 -15.974 -8.160 -6.620 61 H THR 8 HN THR 8 -10.012 -3.369 -1.532 62 HA THR 8 HA THR 8 -11.777 -1.303 -0.799 63 HB THR 8 HB THR 8 -8.988 -2.086 -0.055 64 HG1 THR 8 HG1 THR 8 -10.215 -2.999 1.361 65 HG21 THR 8 HG21 THR 8 -9.281 -0.172 1.743 66 HG22 THR 8 HG22 THR 8 -10.099 0.622 0.398 67 HG23 THR 8 HG23 THR 8 -8.426 0.091 0.223 68 H LEU 9 HN LEU 9 -8.901 -1.379 -2.835 69 HA LEU 9 HA LEU 9 -8.805 1.456 -3.223 70 HB2 LEU 9 HB2 LEU 9 -7.488 -0.874 -4.596 71 HB3 LEU 9 HB1 LEU 9 -7.258 0.778 -5.139 72 HG LEU 9 HG LEU 9 -5.397 0.219 -3.767 73 HD11 LEU 9 HD11 LEU 9 -5.475 1.920 -2.119 74 HD12 LEU 9 HD12 LEU 9 -7.231 1.816 -1.998 75 HD13 LEU 9 HD13 LEU 9 -6.485 2.465 -3.457 76 HD21 LEU 9 HD21 LEU 9 -6.374 -1.698 -2.620 77 HD22 LEU 9 HD22 LEU 9 -7.388 -0.617 -1.661 78 HD23 LEU 9 HD23 LEU 9 -5.635 -0.582 -1.472 79 H ALA 10 HN ALA 10 -10.093 -1.283 -5.047 80 HA ALA 10 HA ALA 10 -10.769 0.051 -7.403 81 HB1 ALA 10 HB1 ALA 10 -12.742 -1.933 -6.804 82 HB2 ALA 10 HB2 ALA 10 -11.148 -2.516 -6.324 83 HB3 ALA 10 HB3 ALA 10 -11.430 -1.985 -7.982 84 H MET 11 HN MET 11 -12.312 0.027 -4.285 85 HA MET 11 HA MET 11 -14.562 1.575 -5.385 86 HB2 MET 11 HB2 MET 11 -14.332 -0.052 -2.853 87 HB3 MET 11 HB1 MET 11 -15.687 1.015 -3.196 88 HG2 MET 11 HG2 MET 11 -15.060 -0.906 -5.323 89 HG3 MET 11 HG1 MET 11 -15.611 -1.617 -3.804 90 HE1 MET 11 HE1 MET 11 -18.678 -1.636 -3.403 91 HE2 MET 11 HE2 MET 11 -18.856 0.090 -3.087 92 HE3 MET 11 HE3 MET 11 -17.426 -0.769 -2.513 93 H CYS 12 HN CYS 12 -11.843 2.552 -4.702 94 HA CYS 12 HA CYS 12 -12.040 4.066 -2.290 95 HB2 CYS 12 HB2 CYS 12 -9.952 3.317 -3.788 96 HB3 CYS 12 HB1 CYS 12 -10.184 4.933 -4.446 97 H GLY 13 HN GLY 13 -11.932 5.119 -5.704 98 HA2 GLY 13 HA2 GLY 13 -12.749 7.015 -6.716 99 HA3 GLY 13 HA1 GLY 13 -14.153 6.754 -5.693 100 H ALA 14 HN ALA 14 -10.908 7.497 -4.548 101 HA ALA 14 HA ALA 14 -11.690 10.249 -3.964 102 HB1 ALA 14 HB1 ALA 14 -11.517 10.132 -1.682 103 HB2 ALA 14 HB2 ALA 14 -10.470 8.714 -1.722 104 HB3 ALA 14 HB3 ALA 14 -12.198 8.542 -2.029 105 H GLY 15 HN GLY 15 -9.764 11.417 -2.874 106 HA2 GLY 15 HA2 GLY 15 -7.607 11.432 -4.623 107 HA3 GLY 15 HA1 GLY 15 -7.587 12.132 -3.012 108 H TYR 16 HN TYR 16 -7.751 9.993 -1.374 109 HA TYR 16 HA TYR 16 -6.333 7.718 -1.885 110 HB2 TYR 16 HB2 TYR 16 -4.392 8.925 -2.556 111 HB3 TYR 16 HB1 TYR 16 -4.517 10.014 -1.180 112 HD1 TYR 16 HD1 TYR 16 -4.795 6.315 -1.102 113 HD2 TYR 16 HD2 TYR 16 -2.396 9.709 -0.192 114 HE1 TYR 16 HE1 TYR 16 -3.249 4.877 0.157 115 HE2 TYR 16 HE2 TYR 16 -0.843 8.280 1.070 116 HH TYR 16 HH TYR 16 -1.582 5.004 1.850 117 H ASP 17 HN ASP 17 -6.918 10.286 0.319 118 HA ASP 17 HA ASP 17 -6.791 8.452 2.602 119 HB2 ASP 17 HB2 ASP 17 -5.588 10.750 2.545 120 HB3 ASP 17 HB1 ASP 17 -7.192 11.422 2.827 121 H SER 18 HN SER 18 -8.845 7.540 1.620 122 HA SER 18 HA SER 18 -11.217 9.153 2.142 123 HB2 SER 18 HB2 SER 18 -10.712 7.413 0.147 124 HB3 SER 18 HB1 SER 18 -11.498 6.326 1.291 125 H GLY 19 HN GLY 19 -9.871 5.999 3.113 126 HA2 GLY 19 HA2 GLY 19 -10.436 6.233 5.816 127 HA3 GLY 19 HA1 GLY 19 -11.856 5.501 5.088 128 H THR 20 HN THR 20 -11.254 3.628 3.532 129 HA THR 20 HA THR 20 -9.736 1.736 5.105 130 HB THR 20 HB THR 20 -10.821 0.975 2.449 131 HG1 THR 20 HG1 THR 20 -12.739 1.673 2.856 132 HG21 THR 20 HG21 THR 20 -10.288 -0.946 3.496 133 HG22 THR 20 HG22 THR 20 -11.905 -0.747 4.172 134 HG23 THR 20 HG23 THR 20 -10.493 -0.258 5.108 135 H CYS 21 HN CYS 21 -9.589 3.114 1.841 136 HA CYS 21 HA CYS 21 -7.506 1.742 0.740 137 HB2 CYS 21 HB2 CYS 21 -7.881 4.732 0.525 138 HB3 CYS 21 HB1 CYS 21 -7.059 3.691 -0.631 139 H ASP 22 HN ASP 22 -7.040 4.857 2.413 140 HA ASP 22 HA ASP 22 -4.317 4.908 2.514 141 HB2 ASP 22 HB2 ASP 22 -6.251 6.477 3.547 142 HB3 ASP 22 HB1 ASP 22 -5.654 5.732 5.028 143 H TYR 23 HN TYR 23 -6.431 2.856 4.358 144 HA TYR 23 HA TYR 23 -4.260 2.014 6.115 145 HB2 TYR 23 HB2 TYR 23 -6.971 2.281 6.521 146 HB3 TYR 23 HB1 TYR 23 -6.785 0.544 6.311 147 HD1 TYR 23 HD1 TYR 23 -5.300 3.403 8.196 148 HD2 TYR 23 HD2 TYR 23 -6.198 -0.756 8.142 149 HE1 TYR 23 HE1 TYR 23 -4.531 3.213 10.523 150 HE2 TYR 23 HE2 TYR 23 -5.431 -0.958 10.469 151 HH TYR 23 HH TYR 23 -4.689 1.824 12.408 152 H MET 24 HN MET 24 -6.742 0.191 4.313 153 HA MET 24 HA MET 24 -5.420 -2.211 4.196 154 HB2 MET 24 HB2 MET 24 -7.586 -0.886 2.688 155 HB3 MET 24 HB1 MET 24 -6.830 -2.257 1.903 156 HG2 MET 24 HG2 MET 24 -8.789 -2.939 3.159 157 HG3 MET 24 HG1 MET 24 -7.325 -3.653 3.838 158 HE1 MET 24 HE1 MET 24 -8.222 -4.258 6.193 159 HE2 MET 24 HE2 MET 24 -7.820 -3.048 7.411 160 HE3 MET 24 HE3 MET 24 -6.627 -3.503 6.193 161 H TYR 25 HN TYR 25 -5.252 0.512 1.933 162 HA TYR 25 HA TYR 25 -3.684 -0.742 -0.030 163 HB2 TYR 25 HB2 TYR 25 -4.934 1.501 -0.150 164 HB3 TYR 25 HB1 TYR 25 -3.516 2.193 0.618 165 HD1 TYR 25 HD1 TYR 25 -3.729 -0.452 -1.996 166 HD2 TYR 25 HD2 TYR 25 -2.514 3.508 -1.022 167 HE1 TYR 25 HE1 TYR 25 -2.634 -0.255 -4.188 168 HE2 TYR 25 HE2 TYR 25 -1.417 3.716 -3.213 169 HH TYR 25 HH TYR 25 -0.760 1.107 -5.195 170 H SER 26 HN SER 26 -2.544 1.761 2.231 171 HA SER 26 HA SER 26 0.157 1.412 1.874 172 HB2 SER 26 HB2 SER 26 -1.546 2.548 3.992 173 HB3 SER 26 HB1 SER 26 0.063 2.061 4.524 174 HG SER 26 HG SER 26 -0.220 4.275 3.646 175 H HIS 27 HN HIS 27 -2.004 -0.395 3.993 176 HA HIS 27 HA HIS 27 0.069 -1.876 5.277 177 HB2 HIS 27 HB2 HIS 27 -2.178 -1.505 6.271 178 HB3 HIS 27 HB1 HIS 27 -2.867 -2.559 5.039 179 HD1 HIS 27 HD1 HIS 27 -1.534 -5.057 5.046 180 HD2 HIS 27 HD2 HIS 27 -1.712 -2.846 8.560 181 HE1 HIS 27 HE1 HIS 27 -1.113 -6.703 6.898 182 HE2 HIS 27 HE2 HIS 27 -1.300 -5.358 9.020 183 H CYS 28 HN CYS 28 -2.343 -2.775 2.810 184 HA CYS 28 HA CYS 28 -1.392 -5.361 2.347 185 HB2 CYS 28 HB2 CYS 28 -3.581 -4.577 1.567 186 HB3 CYS 28 HB1 CYS 28 -2.795 -3.497 0.422 187 H PHE 29 HN PHE 29 -0.814 -2.438 0.378 188 HA PHE 29 HA PHE 29 1.195 -3.711 -1.196 189 HB2 PHE 29 HB2 PHE 29 -0.188 -1.171 -1.166 190 HB3 PHE 29 HB1 PHE 29 1.535 -0.940 -1.445 191 HD1 PHE 29 HD2 PHE 29 2.629 -2.202 -3.335 192 HD2 PHE 29 HD1 PHE 29 -1.593 -1.944 -2.868 193 HE1 PHE 29 HE2 PHE 29 2.335 -2.826 -5.697 194 HE2 PHE 29 HE1 PHE 29 -1.895 -2.568 -5.230 195 HZ PHE 29 HZ PHE 29 0.066 -3.018 -6.644 196 H GLY 30 HN GLY 30 1.198 -2.068 1.825 197 HA2 GLY 30 HA2 GLY 30 2.885 -1.672 3.333 198 HA3 GLY 30 HA1 GLY 30 3.894 -2.729 2.358 199 H ILE 31 HN ILE 31 5.398 -0.941 3.288 200 HA ILE 31 HA ILE 31 5.747 1.025 1.141 201 HB ILE 31 HB ILE 31 6.417 2.747 2.789 202 HG12 ILE 31 HG12 ILE 31 5.003 1.593 5.046 203 HG13 ILE 31 HG11 ILE 31 6.385 0.606 4.584 204 HG21 ILE 31 HG21 ILE 31 3.629 1.934 3.481 205 HG22 ILE 31 HG22 ILE 31 4.034 2.364 1.820 206 HG23 ILE 31 HG23 ILE 31 4.274 3.534 3.116 207 HD11 ILE 31 HD11 ILE 31 6.836 3.518 4.787 208 HD12 ILE 31 HD12 ILE 31 7.884 2.168 5.225 209 HD13 ILE 31 HD13 ILE 31 6.558 2.637 6.289 210 H LYS 32 HN LYS 32 7.287 -0.770 0.604 211 HA LYS 32 HA LYS 32 9.773 -0.579 2.167 212 HB2 LYS 32 HB2 LYS 32 9.121 -2.670 0.093 213 HB3 LYS 32 HB1 LYS 32 10.401 -2.709 1.299 214 HG2 LYS 32 HG2 LYS 32 8.188 -2.487 2.865 215 HG3 LYS 32 HG1 LYS 32 7.581 -3.453 1.518 216 HD2 LYS 32 HD2 LYS 32 8.397 -5.019 3.070 217 HD3 LYS 32 HD1 LYS 32 9.655 -4.901 1.838 218 HE2 LYS 32 HE2 LYS 32 11.092 -3.747 3.225 219 HE3 LYS 32 HE1 LYS 32 9.789 -3.143 4.245 220 HZ1 LYS 32 HZ1 LYS 32 9.627 -5.152 5.364 221 HZ2 LYS 32 HZ2 LYS 32 11.296 -4.976 5.159 222 HZ3 LYS 32 HZ3 LYS 32 10.427 -6.023 4.154 223 H HIS 33 HN HIS 33 9.518 1.603 0.749 224 HA HIS 33 HA HIS 33 11.120 1.165 -1.686 225 HB2 HIS 33 HB2 HIS 33 8.838 2.989 -1.122 226 HB3 HIS 33 HB1 HIS 33 10.124 3.600 -2.157 227 HD1 HIS 33 HD1 HIS 33 7.730 3.457 -3.698 228 HD2 HIS 33 HD2 HIS 33 9.941 0.005 -3.021 229 HE1 HIS 33 HE1 HIS 33 7.040 1.852 -5.507 230 HE2 HIS 33 HE2 HIS 33 8.461 -0.195 -5.132 231 H HIS 34 HN HIS 34 12.379 1.321 0.771 232 HA HIS 34 HA HIS 34 14.070 3.615 0.348 233 HB2 HIS 34 HB2 HIS 34 12.109 3.535 2.551 234 HB3 HIS 34 HB1 HIS 34 13.750 3.959 3.028 235 HD1 HIS 34 HD1 HIS 34 14.790 5.936 1.286 236 HD2 HIS 34 HD2 HIS 34 10.682 5.714 1.875 237 HE1 HIS 34 HE1 HIS 34 13.891 8.186 0.611 238 HE2 HIS 34 HE2 HIS 34 11.398 8.017 0.939 239 H SER 35 HN SER 35 15.426 1.739 -0.108 240 HA SER 35 HA SER 35 16.573 0.624 2.365 241 HB2 SER 35 HB2 SER 35 15.957 -0.761 -0.238 242 HB3 SER 35 HB1 SER 35 17.185 -1.385 0.862 243 HG SER 35 HG SER 35 14.492 -0.856 1.585 244 H SER 36 HN SER 36 17.578 2.938 1.452 245 HA SER 36 HA SER 36 19.965 2.225 -0.110 246 HB2 SER 36 HB2 SER 36 19.376 5.071 0.504 247 HB3 SER 36 HB1 SER 36 19.997 4.341 -0.977 248 HG SER 36 HG SER 36 17.956 4.933 -1.468 249 H GLY 37 HN GLY 37 20.789 1.203 1.893 250 HA2 GLY 37 HA2 GLY 37 21.413 2.803 4.170 251 HA3 GLY 37 HA1 GLY 37 22.055 1.206 3.817 252 H SER 38 HN SER 38 23.335 3.715 4.818 253 HA SER 38 HA SER 38 25.007 4.750 2.774 254 HB2 SER 38 HB2 SER 38 26.393 5.567 4.754 255 HB3 SER 38 HB1 SER 38 24.714 6.102 4.708 256 HG SER 38 HG SER 38 25.535 5.253 6.777 257 H SER 39 HN SER 39 25.182 1.966 4.844 258 HA SER 39 HA SER 39 27.134 0.672 3.326 259 HB2 SER 39 HB2 SER 39 29.044 0.730 4.952 260 HB3 SER 39 HB1 SER 39 28.736 2.275 4.158 261 HG SER 39 HG SER 39 28.962 2.719 6.304 262 H SER 40 HN SER 40 25.210 -0.688 3.814 263 HA SER 40 HA SER 40 24.160 -2.396 4.898 264 HB2 SER 40 HB2 SER 40 26.766 -3.012 6.262 265 HB3 SER 40 HB1 SER 40 25.561 -4.127 5.618 266 HG SER 40 HG SER 40 26.173 -3.336 3.505 267 H TYR 41 HN TYR 41 23.093 -0.616 6.151 268 HA TYR 41 HA TYR 41 23.942 -0.400 8.930 269 HB2 TYR 41 HB2 TYR 41 22.746 1.377 7.187 270 HB3 TYR 41 HB1 TYR 41 21.410 0.879 8.219 271 HD1 TYR 41 HD1 TYR 41 23.023 0.439 10.757 272 HD2 TYR 41 HD2 TYR 41 22.998 3.610 7.920 273 HE1 TYR 41 HE1 TYR 41 23.789 1.996 12.499 274 HE2 TYR 41 HE2 TYR 41 23.765 5.175 9.654 275 HH TYR 41 HH TYR 41 23.744 5.367 12.102 276 H HIS 42 HN HIS 42 20.737 -0.876 7.440 277 HA HIS 42 HA HIS 42 19.884 -2.409 9.738 278 HB2 HIS 42 HB2 HIS 42 18.414 -0.723 8.609 279 HB3 HIS 42 HB1 HIS 42 18.348 -1.788 7.209 280 HD1 HIS 42 HD1 HIS 42 16.114 -0.870 9.548 281 HD2 HIS 42 HD2 HIS 42 17.694 -4.607 8.659 282 HE1 HIS 42 HE1 HIS 42 14.443 -2.531 10.429 283 HE2 HIS 42 HE2 HIS 42 15.393 -4.787 9.831 284 H CYS 43 HN CYS 43 20.301 -2.952 6.259 285 HA CYS 43 HA CYS 43 20.671 -5.801 6.809 286 HB2 CYS 43 HB2 CYS 43 18.266 -4.979 5.899 287 HB3 CYS 43 HB1 CYS 43 19.111 -5.182 4.368 288 H1 NAG 44 H1 NAG 44 -13.590 6.607 2.048 289 H2 NAG 44 H2 NAG 44 -14.981 8.887 0.634 290 H3 NAG 44 H3 NAG 44 -17.030 7.801 2.109 291 H4 NAG 44 H4 NAG 44 -15.588 6.038 2.282 292 H5 NAG 44 H5 NAG 44 -14.655 4.491 1.468 293 H61 NAG 44 H61 NAG 44 -16.799 3.980 -0.157 294 H62 NAG 44 H62 NAG 44 -15.187 3.256 -0.344 295 H81 NAG 44 H81 NAG 44 -16.049 9.574 5.287 296 H82 NAG 44 H82 NAG 44 -14.413 10.092 4.794 297 H83 NAG 44 H83 NAG 44 -15.802 11.193 4.577 298 HN2 NAG 44 HN2 NAG 44 -14.095 8.403 3.273 299 HO3 NAG 44 HO3 NAG 44 -17.877 7.982 0.177 300 HO4 NAG 44 HO4 NAG 44 -18.020 5.500 2.351 301 HO6 NAG 44 HO6 NAG 44 -16.423 4.693 -2.131 302 H1 NAG 45 H1 NAG 45 17.265 -6.642 7.230 303 H2 NAG 45 H2 NAG 45 17.801 -9.641 7.035 304 H3 NAG 45 H3 NAG 45 15.861 -8.059 8.785 305 H4 NAG 45 H4 NAG 45 18.360 -9.658 9.526 306 H5 NAG 45 H5 NAG 45 17.826 -6.652 9.625 307 H61 NAG 45 H61 NAG 45 20.338 -6.617 10.064 308 H62 NAG 45 H62 NAG 45 20.223 -8.359 10.400 309 H81 NAG 45 H81 NAG 45 13.904 -9.396 4.880 310 H82 NAG 45 H82 NAG 45 15.034 -9.088 3.533 311 H83 NAG 45 H83 NAG 45 14.614 -10.765 3.982 312 HN2 NAG 45 HN2 NAG 45 15.355 -8.121 6.265 313 HO3 NAG 45 HO3 NAG 45 16.537 -10.820 8.942 314 HO4 NAG 45 HO4 NAG 45 16.357 -9.393 10.973 315 HO6 NAG 45 HO6 NAG 45 18.701 -7.855 12.067 Start of MODEL 9 1 H1 LYS 1 HT1 LYS 1 -0.496 -14.415 -5.182 2 H2 LYS 1 HT2 LYS 1 -0.912 -12.751 -5.231 3 H3 LYS 1 HT3 LYS 1 -2.081 -13.941 -5.631 4 HA LYS 1 HA LYS 1 -1.874 -14.808 -3.366 5 HB2 LYS 1 HB2 LYS 1 0.359 -13.831 -2.961 6 HB3 LYS 1 HB1 LYS 1 -0.347 -12.222 -3.000 7 HG2 LYS 1 HG2 LYS 1 -1.594 -12.642 -1.009 8 HG3 LYS 1 HG1 LYS 1 -1.132 -14.346 -1.020 9 HD2 LYS 1 HD2 LYS 1 1.088 -12.401 -1.038 10 HD3 LYS 1 HD1 LYS 1 0.126 -12.463 0.440 11 HE2 LYS 1 HE2 LYS 1 0.701 -14.657 0.880 12 HE3 LYS 1 HE1 LYS 1 1.090 -15.001 -0.805 13 HZ1 LYS 1 HZ1 LYS 1 3.181 -14.811 -0.035 14 HZ2 LYS 1 HZ2 LYS 1 2.746 -13.843 1.283 15 HZ3 LYS 1 HZ3 LYS 1 2.915 -13.155 -0.253 16 HA PRO 2 HA PRO 2 -5.757 -12.708 -3.089 17 HB2 PRO 2 HB2 PRO 2 -5.522 -13.199 -0.167 18 HB3 PRO 2 HB1 PRO 2 -6.819 -13.640 -1.283 19 HG2 PRO 2 HG2 PRO 2 -5.125 -15.480 -0.366 20 HG3 PRO 2 HG1 PRO 2 -5.709 -15.526 -2.041 21 HD2 PRO 2 HD2 PRO 2 -3.059 -14.643 -0.979 22 HD3 PRO 2 HD1 PRO 2 -3.443 -15.521 -2.474 23 H ALA 3 HN ALA 3 -4.878 -10.612 -3.576 24 HA ALA 3 HA ALA 3 -4.160 -8.955 -1.265 25 HB1 ALA 3 HB1 ALA 3 -3.808 -8.610 -4.225 26 HB2 ALA 3 HB2 ALA 3 -2.577 -8.662 -2.963 27 HB3 ALA 3 HB3 ALA 3 -3.631 -7.256 -3.109 28 H TRP 4 HN TRP 4 -6.566 -9.308 -0.745 29 HA TRP 4 HA TRP 4 -8.657 -8.191 -2.140 30 HB2 TRP 4 HB2 TRP 4 -8.386 -9.381 0.296 31 HB3 TRP 4 HB1 TRP 4 -8.766 -7.730 0.765 32 HD1 TRP 4 HD1 TRP 4 -10.233 -10.569 -1.389 33 HE1 TRP 4 HE1 TRP 4 -12.796 -10.324 -1.409 34 HE3 TRP 4 HE3 TRP 4 -10.640 -6.196 1.217 35 HZ2 TRP 4 HZ2 TRP 4 -14.734 -8.508 -0.443 36 HZ3 TRP 4 HZ3 TRP 4 -12.883 -5.271 1.629 37 HH2 TRP 4 HH2 TRP 4 -14.886 -6.404 0.815 38 H CYS 5 HN CYS 5 -6.090 -6.554 -0.503 39 HA CYS 5 HA CYS 5 -7.141 -4.145 0.222 40 HB2 CYS 5 HB2 CYS 5 -4.883 -3.184 -0.688 41 HB3 CYS 5 HB1 CYS 5 -4.884 -4.307 0.667 42 H TRP 6 HN TRP 6 -6.035 -4.965 -3.074 43 HA TRP 6 HA TRP 6 -6.649 -2.552 -4.273 44 HB2 TRP 6 HB2 TRP 6 -6.141 -3.560 -6.239 45 HB3 TRP 6 HB1 TRP 6 -5.554 -4.827 -5.171 46 HD1 TRP 6 HD1 TRP 6 -7.476 -6.840 -4.697 47 HE1 TRP 6 HE1 TRP 6 -9.031 -7.956 -6.428 48 HE3 TRP 6 HE3 TRP 6 -7.352 -3.239 -8.290 49 HZ2 TRP 6 HZ2 TRP 6 -10.069 -7.362 -8.995 50 HZ3 TRP 6 HZ3 TRP 6 -8.650 -3.574 -10.360 51 HH2 TRP 6 HH2 TRP 6 -9.981 -5.593 -10.701 52 H TYR 7 HN TYR 7 -8.740 -5.266 -3.524 53 HA TYR 7 HA TYR 7 -11.012 -4.527 -4.946 54 HB2 TYR 7 HB2 TYR 7 -10.351 -6.430 -2.951 55 HB3 TYR 7 HB1 TYR 7 -11.791 -5.584 -2.395 56 HD1 TYR 7 HD1 TYR 7 -10.880 -6.266 -5.913 57 HD2 TYR 7 HD2 TYR 7 -13.406 -7.295 -2.650 58 HE1 TYR 7 HE1 TYR 7 -12.251 -7.646 -7.419 59 HE2 TYR 7 HE2 TYR 7 -14.785 -8.677 -4.144 60 HH TYR 7 HH TYR 7 -15.258 -8.653 -6.759 61 H THR 8 HN THR 8 -9.898 -3.510 -1.750 62 HA THR 8 HA THR 8 -12.161 -2.003 -1.049 63 HB THR 8 HB THR 8 -10.062 -2.731 0.353 64 HG1 THR 8 HG1 THR 8 -11.875 -1.704 1.224 65 HG21 THR 8 HG21 THR 8 -9.222 0.082 0.270 66 HG22 THR 8 HG22 THR 8 -8.692 -0.915 -1.083 67 HG23 THR 8 HG23 THR 8 -8.284 -1.382 0.566 68 H LEU 9 HN LEU 9 -9.313 -1.244 -2.942 69 HA LEU 9 HA LEU 9 -9.773 1.547 -3.157 70 HB2 LEU 9 HB2 LEU 9 -8.103 -0.454 -4.595 71 HB3 LEU 9 HB1 LEU 9 -8.375 1.096 -5.369 72 HG LEU 9 HG LEU 9 -7.518 2.169 -3.231 73 HD11 LEU 9 HD11 LEU 9 -7.517 0.625 -1.556 74 HD12 LEU 9 HD12 LEU 9 -5.854 0.442 -2.118 75 HD13 LEU 9 HD13 LEU 9 -7.090 -0.707 -2.632 76 HD21 LEU 9 HD21 LEU 9 -6.086 0.864 -5.384 77 HD22 LEU 9 HD22 LEU 9 -5.102 1.010 -3.927 78 HD23 LEU 9 HD23 LEU 9 -5.827 2.446 -4.650 79 H ALA 10 HN ALA 10 -10.850 -1.238 -5.004 80 HA ALA 10 HA ALA 10 -11.930 0.164 -7.204 81 HB1 ALA 10 HB1 ALA 10 -12.154 -2.572 -6.103 82 HB2 ALA 10 HB2 ALA 10 -11.779 -2.034 -7.740 83 HB3 ALA 10 HB3 ALA 10 -13.449 -2.040 -7.173 84 H MET 11 HN MET 11 -13.252 -0.801 -4.085 85 HA MET 11 HA MET 11 -15.890 0.198 -4.703 86 HB2 MET 11 HB2 MET 11 -14.789 -0.636 -2.017 87 HB3 MET 11 HB1 MET 11 -16.482 -0.480 -2.468 88 HG2 MET 11 HG2 MET 11 -15.572 -2.270 -4.315 89 HG3 MET 11 HG1 MET 11 -14.618 -2.688 -2.888 90 HE1 MET 11 HE1 MET 11 -15.344 -4.726 -1.842 91 HE2 MET 11 HE2 MET 11 -16.845 -4.828 -0.920 92 HE3 MET 11 HE3 MET 11 -15.687 -3.541 -0.582 93 H CYS 12 HN CYS 12 -12.963 1.500 -3.504 94 HA CYS 12 HA CYS 12 -13.666 3.424 -1.699 95 HB2 CYS 12 HB2 CYS 12 -11.447 2.882 -3.319 96 HB3 CYS 12 HB1 CYS 12 -11.878 4.548 -3.679 97 H GLY 13 HN GLY 13 -13.666 5.884 -2.204 98 HA2 GLY 13 HA2 GLY 13 -15.202 6.535 -4.602 99 HA3 GLY 13 HA1 GLY 13 -15.991 6.808 -3.057 100 H ALA 14 HN ALA 14 -14.605 8.119 -1.468 101 HA ALA 14 HA ALA 14 -14.263 10.680 -2.406 102 HB1 ALA 14 HB1 ALA 14 -14.373 9.857 0.005 103 HB2 ALA 14 HB2 ALA 14 -13.310 11.224 -0.331 104 HB3 ALA 14 HB3 ALA 14 -12.631 9.610 -0.123 105 H GLY 15 HN GLY 15 -12.073 11.919 -2.165 106 HA2 GLY 15 HA2 GLY 15 -10.429 11.144 -4.306 107 HA3 GLY 15 HA1 GLY 15 -10.042 12.387 -3.128 108 H TYR 16 HN TYR 16 -8.122 12.038 -2.253 109 HA TYR 16 HA TYR 16 -7.285 9.258 -1.762 110 HB2 TYR 16 HB2 TYR 16 -5.867 11.660 -2.713 111 HB3 TYR 16 HB1 TYR 16 -4.994 10.721 -1.505 112 HD1 TYR 16 HD2 TYR 16 -5.621 7.979 -2.122 113 HD2 TYR 16 HD1 TYR 16 -4.940 11.227 -4.784 114 HE1 TYR 16 HE2 TYR 16 -4.908 6.395 -3.862 115 HE2 TYR 16 HE1 TYR 16 -4.227 9.651 -6.533 116 HH TYR 16 HH TYR 16 -3.169 7.056 -6.352 117 H ASP 17 HN ASP 17 -6.245 8.737 0.201 118 HA ASP 17 HA ASP 17 -5.940 8.766 2.454 119 HB2 ASP 17 HB2 ASP 17 -4.897 11.124 1.608 120 HB3 ASP 17 HB1 ASP 17 -6.129 11.704 2.725 121 H SER 18 HN SER 18 -8.043 7.850 2.710 122 HA SER 18 HA SER 18 -9.964 9.730 3.913 123 HB2 SER 18 HB2 SER 18 -10.668 8.815 1.653 124 HB3 SER 18 HB1 SER 18 -10.753 7.228 2.418 125 H GLY 19 HN GLY 19 -9.315 6.223 3.678 126 HA2 GLY 19 HA2 GLY 19 -8.842 5.893 6.439 127 HA3 GLY 19 HA1 GLY 19 -10.524 5.522 6.099 128 H THR 20 HN THR 20 -10.888 3.926 4.310 129 HA THR 20 HA THR 20 -9.426 1.559 4.864 130 HB THR 20 HB THR 20 -11.139 1.773 2.429 131 HG1 THR 20 HG1 THR 20 -12.875 2.244 3.510 132 HG21 THR 20 HG21 THR 20 -12.055 -0.347 3.291 133 HG22 THR 20 HG22 THR 20 -10.912 -0.262 4.631 134 HG23 THR 20 HG23 THR 20 -10.322 -0.413 2.975 135 H CYS 21 HN CYS 21 -9.777 3.394 1.823 136 HA CYS 21 HA CYS 21 -8.056 2.059 0.203 137 HB2 CYS 21 HB2 CYS 21 -9.016 4.818 0.372 138 HB3 CYS 21 HB1 CYS 21 -7.462 4.670 -0.440 139 H ASP 22 HN ASP 22 -7.100 4.682 2.420 140 HA ASP 22 HA ASP 22 -4.327 4.446 1.853 141 HB2 ASP 22 HB2 ASP 22 -6.023 6.029 3.623 142 HB3 ASP 22 HB1 ASP 22 -4.488 5.595 4.370 143 H TYR 23 HN TYR 23 -6.236 3.469 4.704 144 HA TYR 23 HA TYR 23 -4.181 2.209 6.094 145 HB2 TYR 23 HB2 TYR 23 -6.538 2.777 6.900 146 HB3 TYR 23 HB1 TYR 23 -7.044 1.267 6.150 147 HD1 TYR 23 HD1 TYR 23 -4.210 2.356 8.345 148 HD2 TYR 23 HD2 TYR 23 -7.330 -0.452 7.650 149 HE1 TYR 23 HE1 TYR 23 -3.557 1.138 10.377 150 HE2 TYR 23 HE2 TYR 23 -6.686 -1.679 9.682 151 HH TYR 23 HH TYR 23 -5.485 -1.135 11.859 152 H MET 24 HN MET 24 -6.783 0.451 4.393 153 HA MET 24 HA MET 24 -5.692 -2.047 4.426 154 HB2 MET 24 HB2 MET 24 -7.748 -0.686 2.950 155 HB3 MET 24 HB1 MET 24 -6.897 -1.798 1.894 156 HG2 MET 24 HG2 MET 24 -7.773 -2.764 4.565 157 HG3 MET 24 HG1 MET 24 -8.979 -2.563 3.294 158 HE1 MET 24 HE1 MET 24 -8.142 -6.137 4.187 159 HE2 MET 24 HE2 MET 24 -7.671 -4.731 5.141 160 HE3 MET 24 HE3 MET 24 -6.435 -5.752 4.408 161 H TYR 25 HN TYR 25 -5.428 0.142 1.613 162 HA TYR 25 HA TYR 25 -3.633 -1.333 0.131 163 HB2 TYR 25 HB2 TYR 25 -4.841 0.865 -0.458 164 HB3 TYR 25 HB1 TYR 25 -3.456 1.665 0.269 165 HD1 TYR 25 HD1 TYR 25 -3.588 -1.392 -1.858 166 HD2 TYR 25 HD2 TYR 25 -2.314 2.652 -1.504 167 HE1 TYR 25 HE1 TYR 25 -2.362 -1.599 -3.980 168 HE2 TYR 25 HE2 TYR 25 -1.085 2.457 -3.624 169 HH TYR 25 HH TYR 25 -0.111 -0.110 -4.957 170 H SER 26 HN SER 26 -2.728 1.457 2.146 171 HA SER 26 HA SER 26 -0.022 1.303 2.049 172 HB2 SER 26 HB2 SER 26 -1.716 1.937 4.464 173 HB3 SER 26 HB1 SER 26 0.010 2.273 4.350 174 HG SER 26 HG SER 26 -0.965 4.119 3.708 175 H HIS 27 HN HIS 27 -2.021 -0.442 4.430 176 HA HIS 27 HA HIS 27 0.165 -1.831 5.580 177 HB2 HIS 27 HB2 HIS 27 -2.588 -1.552 6.104 178 HB3 HIS 27 HB1 HIS 27 -2.307 -3.276 5.884 179 HD1 HIS 27 HD1 HIS 27 -1.614 -4.463 7.933 180 HD2 HIS 27 HD2 HIS 27 -0.613 -0.433 8.076 181 HE1 HIS 27 HE1 HIS 27 -0.615 -4.099 10.211 182 HE2 HIS 27 HE2 HIS 27 0.043 -1.668 10.253 183 H CYS 28 HN CYS 28 -1.960 -2.507 2.885 184 HA CYS 28 HA CYS 28 -1.161 -5.260 2.651 185 HB2 CYS 28 HB2 CYS 28 -3.376 -4.455 1.881 186 HB3 CYS 28 HB1 CYS 28 -2.576 -3.502 0.636 187 H PHE 29 HN PHE 29 -0.049 -2.205 1.445 188 HA PHE 29 HA PHE 29 1.696 -3.484 -0.515 189 HB2 PHE 29 HB2 PHE 29 0.330 -1.189 -0.715 190 HB3 PHE 29 HB1 PHE 29 1.824 -0.555 -0.034 191 HD1 PHE 29 HD1 PHE 29 0.457 -2.544 -2.843 192 HD2 PHE 29 HD2 PHE 29 3.710 -0.227 -1.373 193 HE1 PHE 29 HE1 PHE 29 1.483 -2.573 -5.080 194 HE2 PHE 29 HE2 PHE 29 4.742 -0.251 -3.607 195 HZ PHE 29 HZ PHE 29 3.627 -1.424 -5.463 196 H GLY 30 HN GLY 30 1.777 -2.168 2.663 197 HA2 GLY 30 HA2 GLY 30 3.460 -2.056 4.220 198 HA3 GLY 30 HA1 GLY 30 4.388 -3.113 3.166 199 H ILE 31 HN ILE 31 4.006 0.050 4.366 200 HA ILE 31 HA ILE 31 6.156 0.989 2.581 201 HB ILE 31 HB ILE 31 4.049 2.776 3.788 202 HG12 ILE 31 HG12 ILE 31 4.190 1.651 0.981 203 HG13 ILE 31 HG11 ILE 31 3.002 1.212 2.204 204 HG21 ILE 31 HG21 ILE 31 6.292 3.725 3.172 205 HG22 ILE 31 HG22 ILE 31 4.912 4.464 2.358 206 HG23 ILE 31 HG23 ILE 31 5.927 3.306 1.497 207 HD11 ILE 31 HD11 ILE 31 1.717 2.931 1.667 208 HD12 ILE 31 HD12 ILE 31 2.780 3.201 0.285 209 HD13 ILE 31 HD13 ILE 31 3.064 4.063 1.798 210 H LYS 32 HN LYS 32 7.655 0.251 4.188 211 HA LYS 32 HA LYS 32 7.915 2.149 6.417 212 HB2 LYS 32 HB2 LYS 32 7.073 -0.278 6.983 213 HB3 LYS 32 HB1 LYS 32 8.769 -0.696 6.785 214 HG2 LYS 32 HG2 LYS 32 9.427 0.668 8.578 215 HG3 LYS 32 HG1 LYS 32 7.880 1.513 8.610 216 HD2 LYS 32 HD2 LYS 32 7.601 0.085 10.380 217 HD3 LYS 32 HD1 LYS 32 6.946 -0.906 9.074 218 HE2 LYS 32 HE2 LYS 32 8.643 -2.388 9.175 219 HE3 LYS 32 HE1 LYS 32 9.847 -1.144 9.509 220 HZ1 LYS 32 HZ1 LYS 32 9.573 -1.345 11.731 221 HZ2 LYS 32 HZ2 LYS 32 9.083 -2.909 11.313 222 HZ3 LYS 32 HZ3 LYS 32 7.926 -1.716 11.625 223 H HIS 33 HN HIS 33 9.168 2.366 3.931 224 HA HIS 33 HA HIS 33 11.969 1.875 4.689 225 HB2 HIS 33 HB2 HIS 33 10.619 1.377 2.050 226 HB3 HIS 33 HB1 HIS 33 12.347 1.706 2.129 227 HD1 HIS 33 HD1 HIS 33 13.812 -0.062 3.448 228 HD2 HIS 33 HD2 HIS 33 9.874 -1.182 2.737 229 HE1 HIS 33 HE1 HIS 33 13.734 -2.542 3.857 230 HE2 HIS 33 HE2 HIS 33 11.354 -3.208 3.364 231 H HIS 34 HN HIS 34 10.454 4.232 5.168 232 HA HIS 34 HA HIS 34 11.452 6.129 3.172 233 HB2 HIS 34 HB2 HIS 34 9.063 5.992 4.634 234 HB3 HIS 34 HB1 HIS 34 9.956 7.339 5.333 235 HD1 HIS 34 HD1 HIS 34 7.373 7.097 3.188 236 HD2 HIS 34 HD2 HIS 34 11.173 8.690 2.652 237 HE1 HIS 34 HE1 HIS 34 7.160 8.713 1.274 238 HE2 HIS 34 HE2 HIS 34 9.480 9.638 0.942 239 H SER 35 HN SER 35 12.789 7.853 3.709 240 HA SER 35 HA SER 35 14.464 8.948 4.788 241 HB2 SER 35 HB2 SER 35 12.697 9.371 6.488 242 HB3 SER 35 HB1 SER 35 13.178 7.890 7.318 243 HG SER 35 HG SER 35 15.199 8.811 7.699 244 H SER 36 HN SER 36 15.018 6.414 3.795 245 HA SER 36 HA SER 36 17.322 5.728 5.390 246 HB2 SER 36 HB2 SER 36 14.915 3.995 5.278 247 HB3 SER 36 HB1 SER 36 16.472 3.191 5.082 248 HG SER 36 HG SER 36 15.691 4.867 7.237 249 H GLY 37 HN GLY 37 17.857 6.780 3.193 250 HA2 GLY 37 HA2 GLY 37 18.259 4.597 1.243 251 HA3 GLY 37 HA1 GLY 37 17.808 6.218 0.732 252 H SER 38 HN SER 38 19.335 7.978 1.341 253 HA SER 38 HA SER 38 21.404 8.917 1.223 254 HB2 SER 38 HB2 SER 38 21.528 7.025 3.266 255 HB3 SER 38 HB1 SER 38 22.963 6.704 2.293 256 HG SER 38 HG SER 38 22.893 8.454 4.079 257 H SER 39 HN SER 39 20.629 7.858 -1.113 258 HA SER 39 HA SER 39 22.956 6.366 -2.124 259 HB2 SER 39 HB2 SER 39 21.316 6.091 -4.161 260 HB3 SER 39 HB1 SER 39 21.121 5.085 -2.726 261 HG SER 39 HG SER 39 19.294 6.050 -2.296 262 H SER 40 HN SER 40 21.065 9.281 -2.490 263 HA SER 40 HA SER 40 21.360 11.174 -3.723 264 HB2 SER 40 HB2 SER 40 23.557 12.038 -3.828 265 HB3 SER 40 HB1 SER 40 23.561 10.989 -2.411 266 HG SER 40 HG SER 40 24.736 10.590 -4.930 267 H TYR 41 HN TYR 41 20.249 10.717 -5.583 268 HA TYR 41 HA TYR 41 21.763 9.499 -7.791 269 HB2 TYR 41 HB2 TYR 41 18.787 9.791 -7.349 270 HB3 TYR 41 HB1 TYR 41 19.498 9.199 -8.846 271 HD1 TYR 41 HD1 TYR 41 21.324 7.243 -8.390 272 HD2 TYR 41 HD2 TYR 41 18.010 8.188 -5.896 273 HE1 TYR 41 HE1 TYR 41 21.377 4.965 -7.466 274 HE2 TYR 41 HE2 TYR 41 18.054 5.913 -4.965 275 HH TYR 41 HH TYR 41 19.533 3.395 -6.332 276 H HIS 42 HN HIS 42 19.353 12.062 -7.209 277 HA HIS 42 HA HIS 42 20.840 13.956 -8.755 278 HB2 HIS 42 HB2 HIS 42 19.056 14.331 -10.460 279 HB3 HIS 42 HB1 HIS 42 19.872 12.780 -10.624 280 HD1 HIS 42 HD1 HIS 42 17.494 12.411 -12.015 281 HD2 HIS 42 HD2 HIS 42 17.348 12.430 -7.862 282 HE1 HIS 42 HE1 HIS 42 15.329 11.282 -11.414 283 HE2 HIS 42 HE2 HIS 42 15.300 11.236 -8.894 284 H CYS 43 HN CYS 43 19.802 13.806 -6.109 285 HA CYS 43 HA CYS 43 17.397 15.222 -5.769 286 HB2 CYS 43 HB2 CYS 43 19.652 14.390 -4.083 287 HB3 CYS 43 HB1 CYS 43 18.867 15.869 -3.541 288 H1 NAG 44 H1 NAG 44 -12.447 10.218 1.737 289 H2 NAG 44 H2 NAG 44 -14.256 10.460 2.069 290 H3 NAG 44 H3 NAG 44 -15.766 11.446 3.253 291 H4 NAG 44 H4 NAG 44 -14.294 13.477 3.591 292 H5 NAG 44 H5 NAG 44 -12.746 12.381 4.451 293 H61 NAG 44 H61 NAG 44 -10.652 13.122 4.303 294 H62 NAG 44 H62 NAG 44 -11.150 14.011 2.846 295 H81 NAG 44 H81 NAG 44 -16.386 6.923 2.157 296 H82 NAG 44 H82 NAG 44 -16.674 6.445 3.852 297 H83 NAG 44 H83 NAG 44 -17.744 7.640 3.067 298 HN2 NAG 44 HN2 NAG 44 -15.057 8.680 1.775 299 HO3 NAG 44 HO3 NAG 44 -15.269 12.069 5.348 300 HO4 NAG 44 HO4 NAG 44 -14.119 13.626 1.445 301 HO6 NAG 44 HO6 NAG 44 -11.554 14.856 5.216 302 H1 NAG 45 H1 NAG 45 15.568 14.938 -2.202 303 H2 NAG 45 H2 NAG 45 18.224 15.331 -0.752 304 H3 NAG 45 H3 NAG 45 15.358 15.959 0.089 305 H4 NAG 45 H4 NAG 45 17.700 17.817 -0.557 306 H5 NAG 45 H5 NAG 45 15.076 17.339 -2.048 307 H61 NAG 45 H61 NAG 45 15.732 19.643 -2.310 308 H62 NAG 45 H62 NAG 45 16.145 18.763 -3.797 309 H81 NAG 45 H81 NAG 45 16.699 11.818 1.541 310 H82 NAG 45 H82 NAG 45 17.398 11.001 0.116 311 H83 NAG 45 H83 NAG 45 18.431 11.387 1.519 312 HN2 NAG 45 HN2 NAG 45 15.991 13.472 -0.089 313 HO3 NAG 45 HO3 NAG 45 16.253 16.416 1.995 314 HO4 NAG 45 HO4 NAG 45 16.157 18.501 1.086 315 HO6 NAG 45 HO6 NAG 45 18.131 19.424 -3.474 Start of MODEL 10 1 H1 LYS 1 HT1 LYS 1 -6.575 -17.027 -8.072 2 H2 LYS 1 HT2 LYS 1 -5.843 -17.258 -9.607 3 H3 LYS 1 HT3 LYS 1 -7.427 -16.606 -9.498 4 HA LYS 1 HA LYS 1 -4.867 -15.376 -8.768 5 HB2 LYS 1 HB2 LYS 1 -5.655 -15.236 -11.099 6 HB3 LYS 1 HB1 LYS 1 -7.178 -14.555 -10.543 7 HG2 LYS 1 HG2 LYS 1 -6.276 -12.549 -10.787 8 HG3 LYS 1 HG1 LYS 1 -5.214 -12.924 -9.429 9 HD2 LYS 1 HD2 LYS 1 -3.502 -13.716 -10.885 10 HD3 LYS 1 HD1 LYS 1 -4.583 -13.670 -12.279 11 HE2 LYS 1 HE2 LYS 1 -3.765 -11.239 -10.696 12 HE3 LYS 1 HE1 LYS 1 -2.947 -11.781 -12.161 13 HZ1 LYS 1 HZ1 LYS 1 -5.164 -10.144 -11.993 14 HZ2 LYS 1 HZ2 LYS 1 -5.739 -11.617 -12.595 15 HZ3 LYS 1 HZ3 LYS 1 -4.489 -10.808 -13.395 16 HA PRO 2 HA PRO 2 -7.463 -14.097 -5.208 17 HB2 PRO 2 HB2 PRO 2 -4.819 -12.982 -4.439 18 HB3 PRO 2 HB1 PRO 2 -5.945 -13.966 -3.497 19 HG2 PRO 2 HG2 PRO 2 -3.699 -15.019 -4.472 20 HG3 PRO 2 HG1 PRO 2 -5.208 -15.951 -4.440 21 HD2 PRO 2 HD2 PRO 2 -3.873 -14.578 -6.737 22 HD3 PRO 2 HD1 PRO 2 -4.728 -16.134 -6.695 23 H ALA 3 HN ALA 3 -8.374 -12.151 -4.742 24 HA ALA 3 HA ALA 3 -7.156 -9.680 -5.653 25 HB1 ALA 3 HB1 ALA 3 -8.531 -9.181 -7.358 26 HB2 ALA 3 HB2 ALA 3 -9.937 -9.891 -6.565 27 HB3 ALA 3 HB3 ALA 3 -8.795 -10.924 -7.425 28 H TRP 4 HN TRP 4 -7.145 -9.466 -3.309 29 HA TRP 4 HA TRP 4 -9.785 -8.808 -2.186 30 HB2 TRP 4 HB2 TRP 4 -7.509 -10.255 -1.141 31 HB3 TRP 4 HB1 TRP 4 -7.920 -8.904 -0.096 32 HD1 TRP 4 HD1 TRP 4 -9.380 -12.164 -1.466 33 HE1 TRP 4 HE1 TRP 4 -11.345 -12.881 0.037 34 HE3 TRP 4 HE3 TRP 4 -9.655 -8.030 1.520 35 HZ2 TRP 4 HZ2 TRP 4 -12.814 -11.827 2.206 36 HZ3 TRP 4 HZ3 TRP 4 -11.368 -7.960 3.287 37 HH2 TRP 4 HH2 TRP 4 -12.914 -9.820 3.621 38 H CYS 5 HN CYS 5 -6.408 -7.726 -2.342 39 HA CYS 5 HA CYS 5 -6.637 -5.366 -0.904 40 HB2 CYS 5 HB2 CYS 5 -4.827 -6.315 -3.079 41 HB3 CYS 5 HB1 CYS 5 -4.783 -4.608 -2.652 42 H TRP 6 HN TRP 6 -6.731 -5.637 -4.472 43 HA TRP 6 HA TRP 6 -7.449 -3.067 -5.070 44 HB2 TRP 6 HB2 TRP 6 -7.888 -3.792 -7.194 45 HB3 TRP 6 HB1 TRP 6 -6.988 -5.173 -6.585 46 HD1 TRP 6 HD1 TRP 6 -8.667 -7.231 -5.605 47 HE1 TRP 6 HE1 TRP 6 -10.829 -8.126 -6.697 48 HE3 TRP 6 HE3 TRP 6 -9.762 -3.232 -8.551 49 HZ2 TRP 6 HZ2 TRP 6 -12.752 -7.225 -8.575 50 HZ3 TRP 6 HZ3 TRP 6 -11.778 -3.309 -9.970 51 HH2 TRP 6 HH2 TRP 6 -13.240 -5.266 -9.978 52 H TYR 7 HN TYR 7 -9.550 -5.671 -3.996 53 HA TYR 7 HA TYR 7 -12.038 -4.543 -4.438 54 HB2 TYR 7 HB2 TYR 7 -11.559 -6.858 -3.562 55 HB3 TYR 7 HB1 TYR 7 -11.276 -6.135 -1.982 56 HD1 TYR 7 HD1 TYR 7 -13.902 -5.296 -4.485 57 HD2 TYR 7 HD2 TYR 7 -13.020 -6.958 -0.669 58 HE1 TYR 7 HE1 TYR 7 -16.307 -5.432 -3.996 59 HE2 TYR 7 HE2 TYR 7 -15.424 -7.101 -0.169 60 HH TYR 7 HH TYR 7 -17.603 -7.270 -1.632 61 H THR 8 HN THR 8 -9.998 -4.253 -1.534 62 HA THR 8 HA THR 8 -11.642 -2.515 -0.098 63 HB THR 8 HB THR 8 -8.665 -2.987 -0.087 64 HG1 THR 8 HG1 THR 8 -10.861 -3.802 1.450 65 HG21 THR 8 HG21 THR 8 -10.076 -1.407 2.038 66 HG22 THR 8 HG22 THR 8 -9.191 -0.643 0.718 67 HG23 THR 8 HG23 THR 8 -8.347 -1.696 1.852 68 H LEU 9 HN LEU 9 -9.505 -1.943 -2.776 69 HA LEU 9 HA LEU 9 -9.397 0.909 -2.426 70 HB2 LEU 9 HB2 LEU 9 -7.524 0.220 -3.534 71 HB3 LEU 9 HB1 LEU 9 -8.351 -1.087 -4.350 72 HG LEU 9 HG LEU 9 -9.190 0.374 -6.032 73 HD11 LEU 9 HD11 LEU 9 -7.944 2.859 -5.317 74 HD12 LEU 9 HD12 LEU 9 -9.041 2.333 -4.041 75 HD13 LEU 9 HD13 LEU 9 -9.633 2.521 -5.692 76 HD21 LEU 9 HD21 LEU 9 -7.173 0.006 -6.922 77 HD22 LEU 9 HD22 LEU 9 -6.344 0.320 -5.397 78 HD23 LEU 9 HD23 LEU 9 -6.804 1.663 -6.443 79 H ALA 10 HN ALA 10 -10.903 -1.231 -4.851 80 HA ALA 10 HA ALA 10 -12.272 0.582 -6.358 81 HB1 ALA 10 HB1 ALA 10 -13.074 -1.259 -7.302 82 HB2 ALA 10 HB2 ALA 10 -14.005 -1.652 -5.857 83 HB3 ALA 10 HB3 ALA 10 -12.334 -2.196 -6.004 84 H MET 11 HN MET 11 -13.050 -0.472 -3.114 85 HA MET 11 HA MET 11 -15.655 0.781 -3.131 86 HB2 MET 11 HB2 MET 11 -14.094 -0.324 -0.791 87 HB3 MET 11 HB1 MET 11 -15.806 0.071 -0.814 88 HG2 MET 11 HG2 MET 11 -15.593 -1.693 -2.892 89 HG3 MET 11 HG1 MET 11 -14.422 -2.323 -1.732 90 HE1 MET 11 HE1 MET 11 -18.745 -1.925 -1.894 91 HE2 MET 11 HE2 MET 11 -18.264 -3.588 -2.232 92 HE3 MET 11 HE3 MET 11 -17.515 -2.257 -3.113 93 H CYS 12 HN CYS 12 -12.407 1.603 -2.234 94 HA CYS 12 HA CYS 12 -12.820 3.648 -0.405 95 HB2 CYS 12 HB2 CYS 12 -10.600 2.779 -0.947 96 HB3 CYS 12 HB1 CYS 12 -10.709 3.467 -2.564 97 H GLY 13 HN GLY 13 -12.815 5.955 -0.658 98 HA2 GLY 13 HA2 GLY 13 -12.912 7.577 -2.764 99 HA3 GLY 13 HA1 GLY 13 -14.477 6.788 -2.901 100 H ALA 14 HN ALA 14 -12.449 8.611 -0.632 101 HA ALA 14 HA ALA 14 -14.751 10.182 0.159 102 HB1 ALA 14 HB1 ALA 14 -13.517 9.442 2.608 103 HB2 ALA 14 HB2 ALA 14 -13.926 7.968 1.729 104 HB3 ALA 14 HB3 ALA 14 -15.176 9.160 2.082 105 H GLY 15 HN GLY 15 -12.435 10.892 -1.252 106 HA2 GLY 15 HA2 GLY 15 -10.755 12.457 -1.282 107 HA3 GLY 15 HA1 GLY 15 -11.641 13.219 0.029 108 H TYR 16 HN TYR 16 -9.609 13.886 0.904 109 HA TYR 16 HA TYR 16 -7.455 12.307 1.558 110 HB2 TYR 16 HB2 TYR 16 -6.955 13.934 3.324 111 HB3 TYR 16 HB1 TYR 16 -7.484 14.743 1.853 112 HD1 TYR 16 HD2 TYR 16 -8.873 13.440 5.068 113 HD2 TYR 16 HD1 TYR 16 -9.085 16.405 2.024 114 HE1 TYR 16 HE2 TYR 16 -10.600 14.626 6.353 115 HE2 TYR 16 HE1 TYR 16 -10.813 17.599 3.301 116 HH TYR 16 HH TYR 16 -12.631 16.736 5.192 117 H ASP 17 HN ASP 17 -6.879 10.974 3.236 118 HA ASP 17 HA ASP 17 -7.218 9.331 4.782 119 HB2 ASP 17 HB2 ASP 17 -8.812 11.602 5.978 120 HB3 ASP 17 HB1 ASP 17 -8.498 10.093 6.832 121 H SER 18 HN SER 18 -8.789 8.967 2.578 122 HA SER 18 HA SER 18 -11.510 8.746 2.823 123 HB2 SER 18 HB2 SER 18 -9.525 6.958 1.416 124 HB3 SER 18 HB1 SER 18 -11.268 6.738 1.268 125 H GLY 19 HN GLY 19 -9.053 6.799 4.336 126 HA2 GLY 19 HA2 GLY 19 -9.437 5.522 6.291 127 HA3 GLY 19 HA1 GLY 19 -11.141 5.432 5.868 128 H THR 20 HN THR 20 -10.774 4.605 3.162 129 HA THR 20 HA THR 20 -10.168 1.797 3.645 130 HB THR 20 HB THR 20 -11.121 2.809 1.000 131 HG1 THR 20 HG1 THR 20 -12.991 3.418 1.735 132 HG21 THR 20 HG21 THR 20 -10.766 0.392 1.391 133 HG22 THR 20 HG22 THR 20 -12.424 0.808 0.957 134 HG23 THR 20 HG23 THR 20 -12.015 0.450 2.635 135 H CYS 21 HN CYS 21 -9.176 4.451 1.525 136 HA CYS 21 HA CYS 21 -7.286 2.969 0.028 137 HB2 CYS 21 HB2 CYS 21 -7.718 5.903 0.524 138 HB3 CYS 21 HB1 CYS 21 -6.318 5.341 -0.384 139 H ASP 22 HN ASP 22 -6.909 5.186 2.785 140 HA ASP 22 HA ASP 22 -4.156 4.978 3.094 141 HB2 ASP 22 HB2 ASP 22 -5.603 6.606 4.291 142 HB3 ASP 22 HB1 ASP 22 -6.205 5.295 5.300 143 H TYR 23 HN TYR 23 -6.742 2.939 4.391 144 HA TYR 23 HA TYR 23 -5.078 1.290 5.974 145 HB2 TYR 23 HB2 TYR 23 -7.789 1.557 5.624 146 HB3 TYR 23 HB1 TYR 23 -7.471 0.003 4.861 147 HD1 TYR 23 HD1 TYR 23 -7.325 1.887 8.017 148 HD2 TYR 23 HD2 TYR 23 -6.833 -1.911 6.166 149 HE1 TYR 23 HE1 TYR 23 -7.288 0.819 10.232 150 HE2 TYR 23 HE2 TYR 23 -6.796 -2.991 8.375 151 HH TYR 23 HH TYR 23 -6.522 -1.204 11.288 152 H MET 24 HN MET 24 -6.575 0.692 2.785 153 HA MET 24 HA MET 24 -5.502 -1.742 2.173 154 HB2 MET 24 HB2 MET 24 -6.824 0.292 0.793 155 HB3 MET 24 HB1 MET 24 -5.341 0.033 -0.115 156 HG2 MET 24 HG2 MET 24 -6.752 -2.414 0.668 157 HG3 MET 24 HG1 MET 24 -7.617 -1.364 -0.454 158 HE1 MET 24 HE1 MET 24 -6.112 -0.030 -2.077 159 HE2 MET 24 HE2 MET 24 -5.600 -1.013 -3.449 160 HE3 MET 24 HE3 MET 24 -4.408 -0.434 -2.285 161 H TYR 25 HN TYR 25 -4.074 1.323 1.082 162 HA TYR 25 HA TYR 25 -1.709 0.397 0.080 163 HB2 TYR 25 HB2 TYR 25 -2.749 2.818 0.310 164 HB3 TYR 25 HB1 TYR 25 -1.658 2.913 1.684 165 HD1 TYR 25 HD1 TYR 25 0.587 1.235 0.513 166 HD2 TYR 25 HD2 TYR 25 -1.730 4.409 -1.118 167 HE1 TYR 25 HE1 TYR 25 2.442 1.805 -0.997 168 HE2 TYR 25 HE2 TYR 25 0.118 4.986 -2.634 169 HH TYR 25 HH TYR 25 3.255 3.434 -2.383 170 H SER 26 HN SER 26 -1.964 1.814 3.346 171 HA SER 26 HA SER 26 0.519 1.124 4.283 172 HB2 SER 26 HB2 SER 26 -1.698 2.310 5.371 173 HB3 SER 26 HB1 SER 26 -1.590 0.820 6.307 174 HG SER 26 HG SER 26 0.712 2.372 5.882 175 H HIS 27 HN HIS 27 -2.338 -0.915 4.073 176 HA HIS 27 HA HIS 27 -1.112 -3.063 5.560 177 HB2 HIS 27 HB2 HIS 27 -3.593 -2.552 5.534 178 HB3 HIS 27 HB1 HIS 27 -3.625 -3.207 3.900 179 HD1 HIS 27 HD1 HIS 27 -2.683 -5.793 3.765 180 HD2 HIS 27 HD2 HIS 27 -4.004 -4.412 7.455 181 HE1 HIS 27 HE1 HIS 27 -3.120 -7.855 5.137 182 HE2 HIS 27 HE2 HIS 27 -3.979 -6.997 7.345 183 H CYS 28 HN CYS 28 -2.517 -3.028 2.293 184 HA CYS 28 HA CYS 28 -1.430 -5.321 1.302 185 HB2 CYS 28 HB2 CYS 28 -2.985 -3.470 0.238 186 HB3 CYS 28 HB1 CYS 28 -1.475 -2.929 -0.483 187 H PHE 29 HN PHE 29 0.113 -2.127 1.373 188 HA PHE 29 HA PHE 29 2.543 -3.183 0.197 189 HB2 PHE 29 HB2 PHE 29 1.822 -0.426 1.201 190 HB3 PHE 29 HB1 PHE 29 3.374 -0.837 0.479 191 HD1 PHE 29 HD1 PHE 29 -0.272 -1.081 -0.264 192 HD2 PHE 29 HD2 PHE 29 3.661 -0.470 -1.769 193 HE1 PHE 29 HE1 PHE 29 -1.201 -0.639 -2.499 194 HE2 PHE 29 HE2 PHE 29 2.740 -0.027 -4.007 195 HZ PHE 29 HZ PHE 29 0.309 -0.105 -4.374 196 H GLY 30 HN GLY 30 1.267 -2.447 3.321 197 HA2 GLY 30 HA2 GLY 30 2.107 -3.202 5.365 198 HA3 GLY 30 HA1 GLY 30 3.612 -3.622 4.563 199 H ILE 31 HN ILE 31 3.546 -2.369 7.045 200 HA ILE 31 HA ILE 31 4.114 0.453 6.573 201 HB ILE 31 HB ILE 31 4.199 -1.083 9.171 202 HG12 ILE 31 HG12 ILE 31 2.005 0.712 8.119 203 HG13 ILE 31 HG11 ILE 31 1.950 -1.047 8.066 204 HG21 ILE 31 HG21 ILE 31 3.768 1.847 9.034 205 HG22 ILE 31 HG22 ILE 31 5.399 1.241 8.740 206 HG23 ILE 31 HG23 ILE 31 4.583 0.876 10.260 207 HD11 ILE 31 HD11 ILE 31 2.233 -0.988 10.579 208 HD12 ILE 31 HD12 ILE 31 0.691 -0.417 9.940 209 HD13 ILE 31 HD13 ILE 31 1.909 0.742 10.470 210 H LYS 32 HN LYS 32 5.981 -0.426 5.181 211 HA LYS 32 HA LYS 32 8.208 -0.783 4.847 212 HB2 LYS 32 HB2 LYS 32 8.038 1.483 6.093 213 HB3 LYS 32 HB1 LYS 32 8.684 0.602 7.471 214 HG2 LYS 32 HG2 LYS 32 10.749 0.653 6.653 215 HG3 LYS 32 HG1 LYS 32 10.214 0.128 5.055 216 HD2 LYS 32 HD2 LYS 32 9.676 2.361 4.418 217 HD3 LYS 32 HD1 LYS 32 9.900 2.948 6.067 218 HE2 LYS 32 HE2 LYS 32 11.938 3.535 5.306 219 HE3 LYS 32 HE1 LYS 32 12.318 1.841 5.611 220 HZ1 LYS 32 HZ1 LYS 32 13.059 2.316 3.443 221 HZ2 LYS 32 HZ2 LYS 32 11.624 3.108 3.025 222 HZ3 LYS 32 HZ3 LYS 32 11.631 1.430 3.245 223 H HIS 33 HN HIS 33 8.249 -3.026 5.079 224 HA HIS 33 HA HIS 33 8.989 -4.066 7.722 225 HB2 HIS 33 HB2 HIS 33 8.416 -6.278 6.818 226 HB3 HIS 33 HB1 HIS 33 7.070 -5.154 6.659 227 HD1 HIS 33 HD1 HIS 33 6.196 -4.712 4.335 228 HD2 HIS 33 HD2 HIS 33 9.745 -6.874 4.340 229 HE1 HIS 33 HE1 HIS 33 6.528 -5.466 1.960 230 HE2 HIS 33 HE2 HIS 33 8.738 -6.674 1.967 231 H HIS 34 HN HIS 34 10.858 -2.612 6.049 232 HA HIS 34 HA HIS 34 13.107 -4.260 6.302 233 HB2 HIS 34 HB2 HIS 34 13.627 -4.415 3.794 234 HB3 HIS 34 HB1 HIS 34 12.447 -5.547 4.446 235 HD1 HIS 34 HD1 HIS 34 11.870 -1.959 3.335 236 HD2 HIS 34 HD2 HIS 34 10.723 -5.833 2.366 237 HE1 HIS 34 HE1 HIS 34 10.109 -1.713 1.558 238 HE2 HIS 34 HE2 HIS 34 9.439 -4.071 0.973 239 H SER 35 HN SER 35 12.885 -1.847 7.229 240 HA SER 35 HA SER 35 13.540 0.290 5.503 241 HB2 SER 35 HB2 SER 35 12.598 0.507 7.831 242 HB3 SER 35 HB1 SER 35 14.198 0.092 8.449 243 HG SER 35 HG SER 35 14.316 2.232 8.357 244 H SER 36 HN SER 36 15.234 -0.366 4.166 245 HA SER 36 HA SER 36 17.396 -0.611 3.502 246 HB2 SER 36 HB2 SER 36 17.689 1.548 4.629 247 HB3 SER 36 HB1 SER 36 17.974 0.721 6.160 248 HG SER 36 HG SER 36 19.787 1.396 4.477 249 H GLY 37 HN GLY 37 19.690 -1.411 4.451 250 HA2 GLY 37 HA2 GLY 37 20.174 -3.033 6.497 251 HA3 GLY 37 HA1 GLY 37 19.090 -4.044 5.553 252 H SER 38 HN SER 38 19.861 -5.133 3.817 253 HA SER 38 HA SER 38 22.270 -4.421 2.467 254 HB2 SER 38 HB2 SER 38 23.327 -5.336 4.452 255 HB3 SER 38 HB1 SER 38 22.346 -6.797 4.342 256 HG SER 38 HG SER 38 24.173 -7.388 3.361 257 H SER 39 HN SER 39 21.028 -4.641 0.621 258 HA SER 39 HA SER 39 20.886 -7.256 -0.490 259 HB2 SER 39 HB2 SER 39 18.878 -7.556 0.741 260 HB3 SER 39 HB1 SER 39 18.320 -5.924 0.373 261 HG SER 39 HG SER 39 17.281 -7.512 -0.913 262 H SER 40 HN SER 40 21.881 -6.594 -2.311 263 HA SER 40 HA SER 40 21.642 -4.162 -3.602 264 HB2 SER 40 HB2 SER 40 22.169 -5.772 -5.704 265 HB3 SER 40 HB1 SER 40 23.386 -5.317 -4.512 266 HG SER 40 HG SER 40 22.940 -7.685 -5.088 267 H TYR 41 HN TYR 41 19.517 -6.909 -3.657 268 HA TYR 41 HA TYR 41 18.007 -5.927 -5.930 269 HB2 TYR 41 HB2 TYR 41 17.754 -8.329 -4.132 270 HB3 TYR 41 HB1 TYR 41 16.489 -7.901 -5.279 271 HD1 TYR 41 HD2 TYR 41 16.919 -8.011 -7.701 272 HD2 TYR 41 HD1 TYR 41 19.835 -9.273 -4.871 273 HE1 TYR 41 HE2 TYR 41 18.129 -9.196 -9.484 274 HE2 TYR 41 HE1 TYR 41 21.053 -10.461 -6.646 275 HH TYR 41 HH TYR 41 20.255 -10.081 -9.993 276 H HIS 42 HN HIS 42 16.004 -4.997 -5.867 277 HA HIS 42 HA HIS 42 15.246 -3.783 -3.348 278 HB2 HIS 42 HB2 HIS 42 14.254 -3.458 -6.178 279 HB3 HIS 42 HB1 HIS 42 13.498 -2.649 -4.810 280 HD1 HIS 42 HD1 HIS 42 14.800 -0.706 -3.713 281 HD2 HIS 42 HD2 HIS 42 16.741 -2.432 -6.958 282 HE1 HIS 42 HE1 HIS 42 16.665 0.875 -4.300 283 HE2 HIS 42 HE2 HIS 42 17.873 -0.227 -6.217 284 H CYS 43 HN CYS 43 13.861 -6.010 -5.717 285 HA CYS 43 HA CYS 43 12.182 -7.539 -5.575 286 HB2 CYS 43 HB2 CYS 43 12.956 -7.196 -2.707 287 HB3 CYS 43 HB1 CYS 43 11.511 -8.125 -3.095 288 H1 NAG 44 H1 NAG 44 -9.130 7.509 -0.813 289 H2 NAG 44 H2 NAG 44 -10.501 10.097 -1.407 290 H3 NAG 44 H3 NAG 44 -8.669 10.461 -3.230 291 H4 NAG 44 H4 NAG 44 -6.398 9.859 -2.535 292 H5 NAG 44 H5 NAG 44 -6.595 7.884 -0.616 293 H61 NAG 44 H61 NAG 44 -5.874 9.727 1.025 294 H62 NAG 44 H62 NAG 44 -6.047 10.861 -0.333 295 H81 NAG 44 H81 NAG 44 -12.143 7.695 -4.671 296 H82 NAG 44 H82 NAG 44 -11.284 8.636 -5.923 297 H83 NAG 44 H83 NAG 44 -10.462 7.278 -5.105 298 HN2 NAG 44 HN2 NAG 44 -10.250 7.555 -2.643 299 HO3 NAG 44 HO3 NAG 44 -7.452 11.683 -1.556 300 HO4 NAG 44 HO4 NAG 44 -7.599 8.322 -3.784 301 HO6 NAG 44 HO6 NAG 44 -4.079 10.230 -0.830 302 H1 NAG 45 H1 NAG 45 11.328 -10.020 -4.445 303 H2 NAG 45 H2 NAG 45 13.638 -11.713 -5.501 304 H3 NAG 45 H3 NAG 45 10.639 -11.828 -6.063 305 H4 NAG 45 H4 NAG 45 12.467 -13.793 -4.596 306 H5 NAG 45 H5 NAG 45 10.214 -12.016 -3.548 307 H61 NAG 45 H61 NAG 45 10.137 -13.839 -2.120 308 H62 NAG 45 H62 NAG 45 11.338 -12.801 -1.321 309 H81 NAG 45 H81 NAG 45 12.767 -8.857 -8.803 310 H82 NAG 45 H82 NAG 45 14.366 -8.239 -8.304 311 H83 NAG 45 H83 NAG 45 14.254 -9.588 -9.467 312 HN2 NAG 45 HN2 NAG 45 11.908 -9.786 -6.975 313 HO3 NAG 45 HO3 NAG 45 11.392 -13.784 -7.172 314 HO4 NAG 45 HO4 NAG 45 10.868 -15.022 -5.353 315 HO6 NAG 45 HO6 NAG 45 12.513 -14.587 -1.447 Start of MODEL 11 1 H1 LYS 1 HT1 LYS 1 -8.816 -17.099 -4.348 2 H2 LYS 1 HT2 LYS 1 -7.400 -18.067 -4.414 3 H3 LYS 1 HT3 LYS 1 -7.765 -16.989 -5.698 4 HA LYS 1 HA LYS 1 -6.803 -16.423 -2.998 5 HB2 LYS 1 HB2 LYS 1 -5.205 -16.726 -4.831 6 HB3 LYS 1 HB1 LYS 1 -6.051 -15.517 -5.786 7 HG2 LYS 1 HG2 LYS 1 -5.372 -14.368 -3.273 8 HG3 LYS 1 HG1 LYS 1 -3.939 -15.143 -3.952 9 HD2 LYS 1 HD2 LYS 1 -4.586 -13.945 -6.136 10 HD3 LYS 1 HD1 LYS 1 -5.627 -12.952 -5.117 11 HE2 LYS 1 HE2 LYS 1 -2.635 -13.234 -5.006 12 HE3 LYS 1 HE1 LYS 1 -3.581 -11.781 -5.327 13 HZ1 LYS 1 HZ1 LYS 1 -3.147 -11.417 -3.159 14 HZ2 LYS 1 HZ2 LYS 1 -2.935 -13.054 -2.792 15 HZ3 LYS 1 HZ3 LYS 1 -4.494 -12.412 -2.923 16 HA PRO 2 HA PRO 2 -10.396 -13.518 -3.105 17 HB2 PRO 2 HB2 PRO 2 -9.013 -13.005 -0.500 18 HB3 PRO 2 HB1 PRO 2 -10.743 -13.108 -0.852 19 HG2 PRO 2 HG2 PRO 2 -9.464 -15.145 0.293 20 HG3 PRO 2 HG1 PRO 2 -10.728 -15.424 -0.919 21 HD2 PRO 2 HD2 PRO 2 -7.782 -15.712 -1.157 22 HD3 PRO 2 HD1 PRO 2 -9.076 -16.574 -2.012 23 H ALA 3 HN ALA 3 -10.493 -11.207 -3.049 24 HA ALA 3 HA ALA 3 -7.880 -9.881 -3.359 25 HB1 ALA 3 HB1 ALA 3 -10.092 -10.070 -5.226 26 HB2 ALA 3 HB2 ALA 3 -8.433 -9.534 -5.490 27 HB3 ALA 3 HB3 ALA 3 -9.642 -8.398 -4.890 28 H TRP 4 HN TRP 4 -7.976 -9.181 -1.187 29 HA TRP 4 HA TRP 4 -10.192 -7.512 -0.350 30 HB2 TRP 4 HB2 TRP 4 -7.885 -7.435 1.419 31 HB3 TRP 4 HB1 TRP 4 -9.534 -7.934 1.754 32 HD1 TRP 4 HD1 TRP 4 -9.994 -10.495 1.965 33 HE1 TRP 4 HE1 TRP 4 -8.508 -12.594 1.845 34 HE3 TRP 4 HE3 TRP 4 -5.734 -8.359 0.136 35 HZ2 TRP 4 HZ2 TRP 4 -5.872 -13.253 1.075 36 HZ3 TRP 4 HZ3 TRP 4 -3.770 -9.791 -0.265 37 HH2 TRP 4 HH2 TRP 4 -3.841 -12.188 0.196 38 H CYS 5 HN CYS 5 -6.841 -7.164 -1.332 39 HA CYS 5 HA CYS 5 -6.581 -4.419 -0.675 40 HB2 CYS 5 HB2 CYS 5 -5.094 -6.134 -2.674 41 HB3 CYS 5 HB1 CYS 5 -4.633 -4.489 -2.249 42 H TRP 6 HN TRP 6 -7.238 -6.074 -3.756 43 HA TRP 6 HA TRP 6 -7.572 -3.739 -5.287 44 HB2 TRP 6 HB2 TRP 6 -7.815 -6.574 -5.681 45 HB3 TRP 6 HB1 TRP 6 -9.207 -5.765 -6.395 46 HD1 TRP 6 HD1 TRP 6 -5.860 -6.827 -7.296 47 HE1 TRP 6 HE1 TRP 6 -4.989 -5.566 -9.362 48 HE3 TRP 6 HE3 TRP 6 -9.275 -3.024 -7.425 49 HZ2 TRP 6 HZ2 TRP 6 -5.661 -3.263 -10.852 50 HZ3 TRP 6 HZ3 TRP 6 -9.091 -1.333 -9.203 51 HH2 TRP 6 HH2 TRP 6 -7.320 -1.452 -10.880 52 H TYR 7 HN TYR 7 -9.726 -5.492 -3.182 53 HA TYR 7 HA TYR 7 -12.157 -4.382 -4.128 54 HB2 TYR 7 HB2 TYR 7 -12.237 -6.387 -2.804 55 HB3 TYR 7 HB1 TYR 7 -11.396 -5.604 -1.470 56 HD1 TYR 7 HD1 TYR 7 -12.586 -3.635 -0.331 57 HD2 TYR 7 HD2 TYR 7 -14.573 -6.413 -2.865 58 HE1 TYR 7 HE1 TYR 7 -14.743 -2.993 0.666 59 HE2 TYR 7 HE2 TYR 7 -16.734 -5.780 -1.878 60 HH TYR 7 HH TYR 7 -17.041 -3.076 0.295 61 H THR 8 HN THR 8 -9.939 -3.490 -1.510 62 HA THR 8 HA THR 8 -11.431 -1.340 -0.497 63 HB THR 8 HB THR 8 -8.474 -1.955 -0.458 64 HG1 THR 8 HG1 THR 8 -9.842 -3.293 0.775 65 HG21 THR 8 HG21 THR 8 -9.224 -0.190 1.650 66 HG22 THR 8 HG22 THR 8 -9.579 0.569 0.100 67 HG23 THR 8 HG23 THR 8 -7.949 -0.011 0.445 68 H LEU 9 HN LEU 9 -8.928 -1.478 -3.008 69 HA LEU 9 HA LEU 9 -8.954 1.332 -3.504 70 HB2 LEU 9 HB2 LEU 9 -7.794 -1.058 -4.879 71 HB3 LEU 9 HB1 LEU 9 -7.825 0.487 -5.707 72 HG LEU 9 HG LEU 9 -6.466 1.500 -3.985 73 HD11 LEU 9 HD11 LEU 9 -6.741 -1.158 -2.609 74 HD12 LEU 9 HD12 LEU 9 -7.223 0.430 -2.011 75 HD13 LEU 9 HD13 LEU 9 -5.513 0.033 -2.182 76 HD21 LEU 9 HD21 LEU 9 -4.449 0.537 -4.565 77 HD22 LEU 9 HD22 LEU 9 -5.505 -0.019 -5.862 78 HD23 LEU 9 HD23 LEU 9 -5.100 -1.100 -4.530 79 H ALA 10 HN ALA 10 -10.580 -1.458 -4.899 80 HA ALA 10 HA ALA 10 -11.670 -0.130 -7.149 81 HB1 ALA 10 HB1 ALA 10 -11.769 -2.384 -7.452 82 HB2 ALA 10 HB2 ALA 10 -13.406 -2.113 -6.854 83 HB3 ALA 10 HB3 ALA 10 -12.155 -2.708 -5.762 84 H MET 11 HN MET 11 -12.612 -0.306 -3.808 85 HA MET 11 HA MET 11 -15.090 1.155 -4.449 86 HB2 MET 11 HB2 MET 11 -14.437 -0.801 -2.268 87 HB3 MET 11 HB1 MET 11 -15.723 0.378 -2.049 88 HG2 MET 11 HG2 MET 11 -15.893 -1.049 -4.583 89 HG3 MET 11 HG1 MET 11 -15.997 -2.103 -3.171 90 HE1 MET 11 HE1 MET 11 -18.960 -0.477 -5.406 91 HE2 MET 11 HE2 MET 11 -17.305 0.126 -5.503 92 HE3 MET 11 HE3 MET 11 -18.565 1.119 -4.767 93 H CYS 12 HN CYS 12 -12.608 2.474 -4.296 94 HA CYS 12 HA CYS 12 -12.754 3.867 -1.713 95 HB2 CYS 12 HB2 CYS 12 -10.555 3.102 -3.468 96 HB3 CYS 12 HB1 CYS 12 -10.489 4.800 -3.011 97 H GLY 13 HN GLY 13 -11.400 5.108 -4.729 98 HA2 GLY 13 HA2 GLY 13 -11.754 7.120 -5.790 99 HA3 GLY 13 HA1 GLY 13 -13.445 6.651 -5.700 100 H ALA 14 HN ALA 14 -11.476 7.289 -2.872 101 HA ALA 14 HA ALA 14 -13.223 9.568 -2.260 102 HB1 ALA 14 HB1 ALA 14 -12.159 7.408 -0.699 103 HB2 ALA 14 HB2 ALA 14 -13.383 8.601 -0.268 104 HB3 ALA 14 HB3 ALA 14 -11.675 8.954 -0.004 105 H GLY 15 HN GLY 15 -12.070 11.245 -0.783 106 HA2 GLY 15 HA2 GLY 15 -9.734 12.166 -2.283 107 HA3 GLY 15 HA1 GLY 15 -10.723 13.137 -1.202 108 H TYR 16 HN TYR 16 -9.022 13.944 -0.002 109 HA TYR 16 HA TYR 16 -6.822 12.637 0.990 110 HB2 TYR 16 HB2 TYR 16 -6.776 14.326 2.778 111 HB3 TYR 16 HB1 TYR 16 -7.147 15.050 1.218 112 HD1 TYR 16 HD2 TYR 16 -8.507 14.138 4.507 113 HD2 TYR 16 HD1 TYR 16 -9.297 16.051 0.791 114 HE1 TYR 16 HE2 TYR 16 -10.529 15.155 5.469 115 HE2 TYR 16 HE1 TYR 16 -11.321 17.075 1.741 116 HH TYR 16 HH TYR 16 -12.011 17.003 5.108 117 H ASP 17 HN ASP 17 -6.447 11.102 2.457 118 HA ASP 17 HA ASP 17 -6.821 9.458 3.986 119 HB2 ASP 17 HB2 ASP 17 -7.027 11.584 5.393 120 HB3 ASP 17 HB1 ASP 17 -8.770 11.351 5.298 121 H SER 18 HN SER 18 -8.021 8.583 1.975 122 HA SER 18 HA SER 18 -10.753 8.515 1.689 123 HB2 SER 18 HB2 SER 18 -8.640 6.442 1.134 124 HB3 SER 18 HB1 SER 18 -10.338 6.144 0.766 125 H GLY 19 HN GLY 19 -8.770 6.846 4.033 126 HA2 GLY 19 HA2 GLY 19 -9.635 6.142 6.133 127 HA3 GLY 19 HA1 GLY 19 -11.220 5.980 5.394 128 H THR 20 HN THR 20 -10.789 4.399 3.257 129 HA THR 20 HA THR 20 -10.187 1.853 4.524 130 HB THR 20 HB THR 20 -11.017 2.000 1.672 131 HG1 THR 20 HG1 THR 20 -13.109 2.514 2.203 132 HG21 THR 20 HG21 THR 20 -11.166 -0.168 2.256 133 HG22 THR 20 HG22 THR 20 -12.753 0.341 2.827 134 HG23 THR 20 HG23 THR 20 -11.413 0.190 3.964 135 H CYS 21 HN CYS 21 -9.219 3.621 1.589 136 HA CYS 21 HA CYS 21 -7.252 1.799 0.751 137 HB2 CYS 21 HB2 CYS 21 -7.824 4.679 0.183 138 HB3 CYS 21 HB1 CYS 21 -6.309 3.979 -0.377 139 H ASP 22 HN ASP 22 -6.876 4.881 2.502 140 HA ASP 22 HA ASP 22 -4.160 4.868 2.874 141 HB2 ASP 22 HB2 ASP 22 -6.291 6.360 3.840 142 HB3 ASP 22 HB1 ASP 22 -5.547 5.706 5.296 143 H TYR 23 HN TYR 23 -6.510 2.803 4.364 144 HA TYR 23 HA TYR 23 -4.584 1.874 6.355 145 HB2 TYR 23 HB2 TYR 23 -7.209 2.304 6.631 146 HB3 TYR 23 HB1 TYR 23 -7.269 0.621 6.116 147 HD1 TYR 23 HD1 TYR 23 -5.027 2.573 8.392 148 HD2 TYR 23 HD2 TYR 23 -7.578 -0.796 7.899 149 HE1 TYR 23 HE1 TYR 23 -4.518 1.858 10.689 150 HE2 TYR 23 HE2 TYR 23 -7.077 -1.520 10.194 151 HH TYR 23 HH TYR 23 -6.292 -0.277 12.386 152 H MET 24 HN MET 24 -6.775 0.363 3.970 153 HA MET 24 HA MET 24 -5.516 -2.156 4.050 154 HB2 MET 24 HB2 MET 24 -7.677 -0.896 2.617 155 HB3 MET 24 HB1 MET 24 -6.716 -1.883 1.527 156 HG2 MET 24 HG2 MET 24 -7.392 -3.142 4.092 157 HG3 MET 24 HG1 MET 24 -8.756 -2.812 3.025 158 HE1 MET 24 HE1 MET 24 -7.379 -5.412 4.286 159 HE2 MET 24 HE2 MET 24 -7.162 -6.635 3.035 160 HE3 MET 24 HE3 MET 24 -8.749 -5.910 3.293 161 H TYR 25 HN TYR 25 -5.191 0.577 1.814 162 HA TYR 25 HA TYR 25 -3.427 -0.595 -0.005 163 HB2 TYR 25 HB2 TYR 25 -4.658 1.707 -0.043 164 HB3 TYR 25 HB1 TYR 25 -3.206 2.302 0.749 165 HD1 TYR 25 HD2 TYR 25 -1.021 1.004 -0.561 166 HD2 TYR 25 HD1 TYR 25 -4.678 2.376 -2.243 167 HE1 TYR 25 HE2 TYR 25 0.077 1.227 -2.748 168 HE2 TYR 25 HE1 TYR 25 -3.590 2.605 -4.437 169 HH TYR 25 HH TYR 25 -0.704 2.935 -5.033 170 H SER 26 HN SER 26 -2.581 1.671 2.609 171 HA SER 26 HA SER 26 0.169 1.386 2.476 172 HB2 SER 26 HB2 SER 26 -1.546 2.837 4.029 173 HB3 SER 26 HB1 SER 26 -0.892 1.700 5.207 174 HG SER 26 HG SER 26 0.727 3.041 5.250 175 H HIS 27 HN HIS 27 -2.203 -0.693 3.992 176 HA HIS 27 HA HIS 27 -0.236 -2.238 5.425 177 HB2 HIS 27 HB2 HIS 27 -2.659 -1.883 6.137 178 HB3 HIS 27 HB1 HIS 27 -3.093 -3.042 4.885 179 HD1 HIS 27 HD1 HIS 27 -1.381 -2.797 8.211 180 HD2 HIS 27 HD2 HIS 27 -2.545 -5.707 5.484 181 HE1 HIS 27 HE1 HIS 27 -1.102 -4.991 9.409 182 HE2 HIS 27 HE2 HIS 27 -1.710 -6.741 7.702 183 H CYS 28 HN CYS 28 -1.857 -2.398 2.341 184 HA CYS 28 HA CYS 28 -1.208 -5.133 1.808 185 HB2 CYS 28 HB2 CYS 28 -3.069 -3.736 0.730 186 HB3 CYS 28 HB1 CYS 28 -1.805 -3.045 -0.282 187 H PHE 29 HN PHE 29 0.359 -2.052 1.277 188 HA PHE 29 HA PHE 29 2.600 -3.461 -0.019 189 HB2 PHE 29 HB2 PHE 29 1.477 -0.710 -0.414 190 HB3 PHE 29 HB1 PHE 29 3.179 -1.012 -0.750 191 HD1 PHE 29 HD2 PHE 29 3.835 -2.552 -2.544 192 HD2 PHE 29 HD1 PHE 29 -0.241 -1.554 -1.835 193 HE1 PHE 29 HE2 PHE 29 3.240 -3.420 -4.769 194 HE2 PHE 29 HE1 PHE 29 -0.844 -2.421 -4.057 195 HZ PHE 29 HZ PHE 29 0.897 -3.355 -5.527 196 H GLY 30 HN GLY 30 2.354 -3.484 2.759 197 HA2 GLY 30 HA2 GLY 30 3.989 -1.377 3.860 198 HA3 GLY 30 HA1 GLY 30 3.351 -2.761 4.729 199 H ILE 31 HN ILE 31 4.787 -3.987 2.028 200 HA ILE 31 HA ILE 31 6.690 -5.179 1.674 201 HB ILE 31 HB ILE 31 8.111 -3.089 3.311 202 HG12 ILE 31 HG12 ILE 31 7.229 -2.938 0.419 203 HG13 ILE 31 HG11 ILE 31 6.640 -1.935 1.741 204 HG21 ILE 31 HG21 ILE 31 9.216 -4.239 0.818 205 HG22 ILE 31 HG22 ILE 31 9.131 -5.298 2.226 206 HG23 ILE 31 HG23 ILE 31 10.027 -3.781 2.314 207 HD11 ILE 31 HD11 ILE 31 9.513 -1.983 0.873 208 HD12 ILE 31 HD12 ILE 31 8.718 -0.826 1.940 209 HD13 ILE 31 HD13 ILE 31 8.316 -0.862 0.223 210 H LYS 32 HN LYS 32 6.000 -6.943 2.979 211 HA LYS 32 HA LYS 32 7.197 -7.052 5.662 212 HB2 LYS 32 HB2 LYS 32 4.841 -8.405 4.408 213 HB3 LYS 32 HB1 LYS 32 5.666 -9.184 5.752 214 HG2 LYS 32 HG2 LYS 32 5.324 -7.087 7.070 215 HG3 LYS 32 HG1 LYS 32 4.318 -6.496 5.744 216 HD2 LYS 32 HD2 LYS 32 2.907 -8.547 6.013 217 HD3 LYS 32 HD1 LYS 32 3.841 -8.927 7.463 218 HE2 LYS 32 HE2 LYS 32 3.023 -6.229 7.668 219 HE3 LYS 32 HE1 LYS 32 1.615 -7.164 7.170 220 HZ1 LYS 32 HZ1 LYS 32 1.483 -7.419 9.408 221 HZ2 LYS 32 HZ2 LYS 32 3.153 -7.298 9.652 222 HZ3 LYS 32 HZ3 LYS 32 2.487 -8.739 9.069 223 H HIS 33 HN HIS 33 8.380 -7.626 2.851 224 HA HIS 33 HA HIS 33 9.677 -10.126 3.647 225 HB2 HIS 33 HB2 HIS 33 9.595 -10.938 1.349 226 HB3 HIS 33 HB1 HIS 33 7.968 -10.670 1.959 227 HD1 HIS 33 HD1 HIS 33 9.776 -10.239 -1.001 228 HD2 HIS 33 HD2 HIS 33 7.197 -7.783 1.139 229 HE1 HIS 33 HE1 HIS 33 8.972 -8.514 -2.645 230 HE2 HIS 33 HE2 HIS 33 7.381 -7.061 -1.338 231 H HIS 34 HN HIS 34 10.884 -7.843 4.229 232 HA HIS 34 HA HIS 34 13.109 -7.775 2.346 233 HB2 HIS 34 HB2 HIS 34 11.356 -5.895 1.900 234 HB3 HIS 34 HB1 HIS 34 12.036 -5.157 3.346 235 HD1 HIS 34 HD1 HIS 34 13.359 -6.561 0.060 236 HD2 HIS 34 HD2 HIS 34 14.092 -3.508 2.781 237 HE1 HIS 34 HE1 HIS 34 15.242 -5.217 -0.929 238 HE2 HIS 34 HE2 HIS 34 15.588 -3.311 0.681 239 H SER 35 HN SER 35 12.804 -8.892 4.977 240 HA SER 35 HA SER 35 15.176 -8.139 6.172 241 HB2 SER 35 HB2 SER 35 13.179 -6.200 6.662 242 HB3 SER 35 HB1 SER 35 13.394 -7.088 8.171 243 HG SER 35 HG SER 35 15.627 -6.183 6.715 244 H SER 36 HN SER 36 15.385 -8.975 8.453 245 HA SER 36 HA SER 36 13.645 -11.327 8.777 246 HB2 SER 36 HB2 SER 36 16.564 -10.871 9.263 247 HB3 SER 36 HB1 SER 36 15.714 -12.069 10.239 248 HG SER 36 HG SER 36 14.954 -12.881 8.100 249 H GLY 37 HN GLY 37 15.870 -9.706 11.022 250 HA2 GLY 37 HA2 GLY 37 15.244 -8.391 12.895 251 HA3 GLY 37 HA1 GLY 37 13.604 -9.002 12.742 252 H SER 38 HN SER 38 14.644 -8.957 15.205 253 HA SER 38 HA SER 38 15.355 -11.769 15.734 254 HB2 SER 38 HB2 SER 38 16.312 -9.223 16.987 255 HB3 SER 38 HB1 SER 38 16.252 -10.692 17.962 256 HG SER 38 HG SER 38 17.955 -9.999 15.919 257 H SER 39 HN SER 39 14.799 -12.310 18.146 258 HA SER 39 HA SER 39 12.403 -11.038 19.136 259 HB2 SER 39 HB2 SER 39 11.000 -13.048 19.021 260 HB3 SER 39 HB1 SER 39 11.491 -12.538 17.406 261 HG SER 39 HG SER 39 12.254 -14.781 18.881 262 H SER 40 HN SER 40 14.531 -13.874 19.334 263 HA SER 40 HA SER 40 14.394 -13.655 22.269 264 HB2 SER 40 HB2 SER 40 15.116 -16.194 22.057 265 HB3 SER 40 HB1 SER 40 13.419 -15.724 21.960 266 HG SER 40 HG SER 40 13.933 -17.099 20.249 267 H TYR 41 HN TYR 41 16.203 -12.090 21.090 268 HA TYR 41 HA TYR 41 18.751 -13.538 21.073 269 HB2 TYR 41 HB2 TYR 41 17.766 -11.474 19.482 270 HB3 TYR 41 HB1 TYR 41 18.927 -10.684 20.543 271 HD1 TYR 41 HD2 TYR 41 21.284 -11.668 20.661 272 HD2 TYR 41 HD1 TYR 41 18.492 -12.691 17.619 273 HE1 TYR 41 HE2 TYR 41 23.129 -12.468 19.246 274 HE2 TYR 41 HE1 TYR 41 20.329 -13.495 16.195 275 HH TYR 41 HH TYR 41 23.400 -14.113 17.331 276 H HIS 42 HN HIS 42 17.061 -10.902 22.700 277 HA HIS 42 HA HIS 42 19.287 -10.422 24.492 278 HB2 HIS 42 HB2 HIS 42 17.778 -8.735 25.514 279 HB3 HIS 42 HB1 HIS 42 17.984 -8.507 23.781 280 HD1 HIS 42 HD1 HIS 42 15.437 -8.965 26.360 281 HD2 HIS 42 HD2 HIS 42 15.685 -9.391 22.234 282 HE1 HIS 42 HE1 HIS 42 13.058 -9.048 25.549 283 HE2 HIS 42 HE2 HIS 42 13.234 -9.207 23.041 284 H CYS 43 HN CYS 43 19.312 -12.635 25.326 285 HA CYS 43 HA CYS 43 17.097 -13.453 27.004 286 HB2 CYS 43 HB2 CYS 43 18.610 -15.407 27.522 287 HB3 CYS 43 HB1 CYS 43 18.186 -15.219 25.824 288 H1 NAG 44 H1 NAG 44 -7.395 7.961 0.099 289 H2 NAG 44 H2 NAG 44 -8.155 5.855 -1.408 290 H3 NAG 44 H3 NAG 44 -7.629 6.168 -3.740 291 H4 NAG 44 H4 NAG 44 -7.289 8.604 -4.551 292 H5 NAG 44 H5 NAG 44 -7.630 9.810 -3.169 293 H61 NAG 44 H61 NAG 44 -6.581 11.344 -2.054 294 H62 NAG 44 H62 NAG 44 -6.023 10.882 -3.677 295 H81 NAG 44 H81 NAG 44 -3.640 4.620 -2.531 296 H82 NAG 44 H82 NAG 44 -3.534 6.298 -1.931 297 H83 NAG 44 H83 NAG 44 -3.921 4.969 -0.804 298 HN2 NAG 44 HN2 NAG 44 -5.668 7.070 -0.823 299 HO3 NAG 44 HO3 NAG 44 -9.590 6.910 -3.982 300 HO4 NAG 44 HO4 NAG 44 -5.089 8.304 -4.333 301 HO6 NAG 44 HO6 NAG 44 -4.391 9.556 -2.496 302 H1 NAG 45 H1 NAG 45 22.025 -16.617 26.356 303 H2 NAG 45 H2 NAG 45 20.428 -16.154 28.915 304 H3 NAG 45 H3 NAG 45 22.758 -18.031 28.306 305 H4 NAG 45 H4 NAG 45 19.825 -18.628 28.934 306 H5 NAG 45 H5 NAG 45 21.415 -18.991 26.350 307 H61 NAG 45 H61 NAG 45 18.657 -19.812 27.247 308 H62 NAG 45 H62 NAG 45 19.842 -20.702 26.264 309 H81 NAG 45 H81 NAG 45 24.126 -13.520 28.830 310 H82 NAG 45 H82 NAG 45 25.135 -14.797 29.560 311 H83 NAG 45 H83 NAG 45 25.373 -14.340 27.851 312 HN2 NAG 45 HN2 NAG 45 22.184 -14.713 29.373 313 HO3 NAG 45 HO3 NAG 45 22.810 -17.434 30.439 314 HO4 NAG 45 HO4 NAG 45 20.710 -20.793 28.252 315 HO6 NAG 45 HO6 NAG 45 18.597 -19.990 24.675 Start of MODEL 12 1 H1 LYS 1 HT1 LYS 1 -7.393 -18.142 3.828 2 H2 LYS 1 HT2 LYS 1 -8.593 -17.186 3.058 3 H3 LYS 1 HT3 LYS 1 -7.873 -16.650 4.522 4 HA LYS 1 HA LYS 1 -5.826 -16.302 3.509 5 HB2 LYS 1 HB2 LYS 1 -7.110 -17.614 1.104 6 HB3 LYS 1 HB1 LYS 1 -5.532 -16.838 1.088 7 HG2 LYS 1 HG2 LYS 1 -4.693 -18.834 1.577 8 HG3 LYS 1 HG1 LYS 1 -5.356 -18.607 3.197 9 HD2 LYS 1 HD2 LYS 1 -6.510 -20.484 2.812 10 HD3 LYS 1 HD1 LYS 1 -7.529 -19.495 1.764 11 HE2 LYS 1 HE2 LYS 1 -6.972 -21.169 0.310 12 HE3 LYS 1 HE1 LYS 1 -5.654 -20.041 -0.004 13 HZ1 LYS 1 HZ1 LYS 1 -5.584 -22.668 1.181 14 HZ2 LYS 1 HZ2 LYS 1 -4.679 -21.516 2.025 15 HZ3 LYS 1 HZ3 LYS 1 -4.363 -21.805 0.389 16 HA PRO 2 HA PRO 2 -8.701 -12.705 2.730 17 HB2 PRO 2 HB2 PRO 2 -6.147 -11.479 3.687 18 HB3 PRO 2 HB1 PRO 2 -7.817 -11.053 4.083 19 HG2 PRO 2 HG2 PRO 2 -6.333 -12.427 5.809 20 HG3 PRO 2 HG1 PRO 2 -8.050 -12.813 5.581 21 HD2 PRO 2 HD2 PRO 2 -5.634 -14.273 4.627 22 HD3 PRO 2 HD1 PRO 2 -7.215 -14.906 5.128 23 H ALA 3 HN ALA 3 -8.657 -11.211 1.063 24 HA ALA 3 HA ALA 3 -6.382 -10.464 -0.408 25 HB1 ALA 3 HB1 ALA 3 -7.995 -12.689 -1.650 26 HB2 ALA 3 HB2 ALA 3 -6.313 -12.773 -1.130 27 HB3 ALA 3 HB3 ALA 3 -6.767 -11.736 -2.483 28 H TRP 4 HN TRP 4 -8.471 -9.030 0.594 29 HA TRP 4 HA TRP 4 -10.111 -8.353 -1.747 30 HB2 TRP 4 HB2 TRP 4 -11.466 -7.078 0.030 31 HB3 TRP 4 HB1 TRP 4 -11.579 -8.831 0.013 32 HD1 TRP 4 HD1 TRP 4 -10.256 -10.140 1.990 33 HE1 TRP 4 HE1 TRP 4 -9.638 -9.385 4.373 34 HE3 TRP 4 HE3 TRP 4 -10.798 -5.105 1.391 35 HZ2 TRP 4 HZ2 TRP 4 -9.413 -6.960 5.808 36 HZ3 TRP 4 HZ3 TRP 4 -10.366 -3.629 3.316 37 HH2 TRP 4 HH2 TRP 4 -9.689 -4.540 5.479 38 H CYS 5 HN CYS 5 -7.351 -7.526 -1.403 39 HA CYS 5 HA CYS 5 -7.164 -4.868 -0.488 40 HB2 CYS 5 HB2 CYS 5 -5.267 -6.517 -1.004 41 HB3 CYS 5 HB1 CYS 5 -5.460 -6.031 -2.685 42 H TRP 6 HN TRP 6 -7.283 -6.082 -3.848 43 HA TRP 6 HA TRP 6 -7.530 -3.653 -5.125 44 HB2 TRP 6 HB2 TRP 6 -8.238 -4.819 -7.036 45 HB3 TRP 6 HB1 TRP 6 -7.233 -5.965 -6.157 46 HD1 TRP 6 HD1 TRP 6 -8.576 -7.907 -4.780 47 HE1 TRP 6 HE1 TRP 6 -10.820 -9.061 -5.335 48 HE3 TRP 6 HE3 TRP 6 -10.437 -4.458 -8.018 49 HZ2 TRP 6 HZ2 TRP 6 -13.092 -8.544 -6.951 50 HZ3 TRP 6 HZ3 TRP 6 -12.653 -4.843 -9.033 51 HH2 TRP 6 HH2 TRP 6 -13.951 -6.845 -8.508 52 H TYR 7 HN TYR 7 -9.963 -5.559 -3.496 53 HA TYR 7 HA TYR 7 -12.276 -4.273 -4.385 54 HB2 TYR 7 HB2 TYR 7 -11.509 -5.934 -2.077 55 HB3 TYR 7 HB1 TYR 7 -12.859 -4.847 -1.769 56 HD1 TYR 7 HD2 TYR 7 -14.766 -4.889 -3.570 57 HD2 TYR 7 HD1 TYR 7 -11.920 -8.005 -3.027 58 HE1 TYR 7 HE2 TYR 7 -16.291 -6.466 -4.677 59 HE2 TYR 7 HE1 TYR 7 -13.439 -9.591 -4.132 60 HH TYR 7 HH TYR 7 -16.531 -9.228 -4.497 61 H THR 8 HN THR 8 -10.076 -3.505 -1.729 62 HA THR 8 HA THR 8 -11.449 -1.333 -0.640 63 HB THR 8 HB THR 8 -8.509 -2.007 -0.779 64 HG1 THR 8 HG1 THR 8 -10.254 -1.988 1.444 65 HG21 THR 8 HG21 THR 8 -9.656 0.503 0.047 66 HG22 THR 8 HG22 THR 8 -7.965 0.025 -0.097 67 HG23 THR 8 HG23 THR 8 -8.855 -0.314 1.389 68 H LEU 9 HN LEU 9 -9.211 -1.543 -3.355 69 HA LEU 9 HA LEU 9 -9.021 1.259 -3.802 70 HB2 LEU 9 HB2 LEU 9 -8.437 -1.146 -5.510 71 HB3 LEU 9 HB1 LEU 9 -8.231 0.489 -6.108 72 HG LEU 9 HG LEU 9 -6.566 0.944 -4.393 73 HD11 LEU 9 HD11 LEU 9 -5.764 -0.886 -2.943 74 HD12 LEU 9 HD12 LEU 9 -7.104 -1.885 -3.505 75 HD13 LEU 9 HD13 LEU 9 -7.424 -0.409 -2.592 76 HD21 LEU 9 HD21 LEU 9 -5.005 0.107 -5.733 77 HD22 LEU 9 HD22 LEU 9 -6.275 -0.792 -6.561 78 HD23 LEU 9 HD23 LEU 9 -5.384 -1.541 -5.236 79 H ALA 10 HN ALA 10 -10.950 -1.305 -5.336 80 HA ALA 10 HA ALA 10 -12.242 0.247 -7.249 81 HB1 ALA 10 HB1 ALA 10 -12.979 -2.276 -5.822 82 HB2 ALA 10 HB2 ALA 10 -12.535 -2.035 -7.512 83 HB3 ALA 10 HB3 ALA 10 -14.118 -1.513 -6.932 84 H MET 11 HN MET 11 -12.727 0.060 -3.827 85 HA MET 11 HA MET 11 -15.278 1.471 -3.977 86 HB2 MET 11 HB2 MET 11 -13.725 0.311 -1.663 87 HB3 MET 11 HB1 MET 11 -15.215 1.225 -1.466 88 HG2 MET 11 HG2 MET 11 -15.877 -0.677 -3.348 89 HG3 MET 11 HG1 MET 11 -14.813 -1.543 -2.239 90 HE1 MET 11 HE1 MET 11 -18.786 -2.103 -1.730 91 HE2 MET 11 HE2 MET 11 -17.703 -1.946 -3.114 92 HE3 MET 11 HE3 MET 11 -18.705 -0.581 -2.619 93 H CYS 12 HN CYS 12 -11.928 2.058 -3.385 94 HA CYS 12 HA CYS 12 -12.062 4.386 -1.841 95 HB2 CYS 12 HB2 CYS 12 -10.063 2.980 -3.401 96 HB3 CYS 12 HB1 CYS 12 -9.877 4.724 -3.550 97 H GLY 13 HN GLY 13 -11.070 6.525 -2.891 98 HA2 GLY 13 HA2 GLY 13 -11.200 7.852 -4.994 99 HA3 GLY 13 HA1 GLY 13 -12.816 7.189 -5.181 100 H ALA 14 HN ALA 14 -10.996 8.776 -2.553 101 HA ALA 14 HA ALA 14 -13.070 10.836 -2.428 102 HB1 ALA 14 HB1 ALA 14 -13.920 9.376 -0.806 103 HB2 ALA 14 HB2 ALA 14 -13.026 10.586 0.114 104 HB3 ALA 14 HB3 ALA 14 -12.317 8.998 -0.177 105 H GLY 15 HN GLY 15 -10.399 10.960 -3.406 106 HA2 GLY 15 HA2 GLY 15 -8.451 12.166 -3.191 107 HA3 GLY 15 HA1 GLY 15 -9.478 13.322 -2.356 108 H TYR 16 HN TYR 16 -8.256 13.982 -0.690 109 HA TYR 16 HA TYR 16 -6.353 12.505 0.690 110 HB2 TYR 16 HB2 TYR 16 -6.811 15.035 0.752 111 HB3 TYR 16 HB1 TYR 16 -7.996 14.663 2.000 112 HD1 TYR 16 HD1 TYR 16 -4.475 13.638 1.243 113 HD2 TYR 16 HD2 TYR 16 -7.249 15.063 4.137 114 HE1 TYR 16 HE1 TYR 16 -2.690 13.659 2.934 115 HE2 TYR 16 HE2 TYR 16 -5.471 15.090 5.836 116 HH TYR 16 HH TYR 16 -2.126 14.503 5.007 117 H ASP 17 HN ASP 17 -6.358 11.463 2.711 118 HA ASP 17 HA ASP 17 -7.148 9.910 4.180 119 HB2 ASP 17 HB2 ASP 17 -8.129 12.222 4.955 120 HB3 ASP 17 HB1 ASP 17 -9.665 11.509 4.469 121 H SER 18 HN SER 18 -7.413 8.580 2.136 122 HA SER 18 HA SER 18 -9.791 8.146 0.818 123 HB2 SER 18 HB2 SER 18 -8.081 5.799 1.560 124 HB3 SER 18 HB1 SER 18 -8.861 6.170 0.023 125 H GLY 19 HN GLY 19 -8.670 6.632 3.832 126 HA2 GLY 19 HA2 GLY 19 -10.206 6.218 5.633 127 HA3 GLY 19 HA1 GLY 19 -11.482 6.010 4.444 128 H THR 20 HN THR 20 -10.305 4.245 2.684 129 HA THR 20 HA THR 20 -10.101 1.843 4.365 130 HB THR 20 HB THR 20 -10.593 1.675 1.426 131 HG1 THR 20 HG1 THR 20 -12.520 2.508 1.537 132 HG21 THR 20 HG21 THR 20 -11.438 -0.347 1.858 133 HG22 THR 20 HG22 THR 20 -12.280 0.201 3.307 134 HG23 THR 20 HG23 THR 20 -10.564 -0.198 3.383 135 H CYS 21 HN CYS 21 -8.909 2.919 1.172 136 HA CYS 21 HA CYS 21 -6.771 1.122 1.051 137 HB2 CYS 21 HB2 CYS 21 -6.822 3.861 -0.221 138 HB3 CYS 21 HB1 CYS 21 -5.937 2.444 -0.772 139 H ASP 22 HN ASP 22 -6.947 4.402 2.359 140 HA ASP 22 HA ASP 22 -4.206 4.737 2.826 141 HB2 ASP 22 HB2 ASP 22 -6.383 6.323 3.142 142 HB3 ASP 22 HB1 ASP 22 -6.043 5.920 4.822 143 H TYR 23 HN TYR 23 -6.463 2.667 4.331 144 HA TYR 23 HA TYR 23 -4.686 2.291 6.644 145 HB2 TYR 23 HB2 TYR 23 -7.372 2.750 6.640 146 HB3 TYR 23 HB1 TYR 23 -7.332 0.993 6.679 147 HD1 TYR 23 HD1 TYR 23 -5.852 3.960 8.399 148 HD2 TYR 23 HD2 TYR 23 -7.119 -0.089 8.717 149 HE1 TYR 23 HE1 TYR 23 -5.435 4.026 10.821 150 HE2 TYR 23 HE2 TYR 23 -6.705 -0.035 11.140 151 HH TYR 23 HH TYR 23 -6.222 2.815 12.860 152 H MET 24 HN MET 24 -6.281 0.693 3.965 153 HA MET 24 HA MET 24 -5.220 -1.893 4.743 154 HB2 MET 24 HB2 MET 24 -7.303 -2.356 3.984 155 HB3 MET 24 HB1 MET 24 -7.402 -0.874 3.057 156 HG2 MET 24 HG2 MET 24 -6.985 -1.936 1.161 157 HG3 MET 24 HG1 MET 24 -5.600 -2.773 1.840 158 HE1 MET 24 HE1 MET 24 -5.481 -5.118 2.445 159 HE2 MET 24 HE2 MET 24 -6.836 -6.150 2.901 160 HE3 MET 24 HE3 MET 24 -6.377 -4.793 3.929 161 H TYR 25 HN TYR 25 -5.110 0.348 1.978 162 HA TYR 25 HA TYR 25 -3.273 -1.031 0.414 163 HB2 TYR 25 HB2 TYR 25 -4.633 1.311 0.161 164 HB3 TYR 25 HB1 TYR 25 -3.001 1.907 0.415 165 HD1 TYR 25 HD1 TYR 25 -4.087 -1.168 -1.373 166 HD2 TYR 25 HD2 TYR 25 -2.365 2.709 -1.686 167 HE1 TYR 25 HE1 TYR 25 -3.570 -1.595 -3.739 168 HE2 TYR 25 HE2 TYR 25 -1.842 2.293 -4.052 169 HH TYR 25 HH TYR 25 -3.201 -0.034 -5.854 170 H SER 26 HN SER 26 -2.713 1.386 2.946 171 HA SER 26 HA SER 26 0.009 1.713 2.736 172 HB2 SER 26 HB2 SER 26 -1.984 2.301 4.665 173 HB3 SER 26 HB1 SER 26 -0.651 1.526 5.522 174 HG SER 26 HG SER 26 0.446 3.290 5.285 175 H HIS 27 HN HIS 27 -1.716 -0.811 4.554 176 HA HIS 27 HA HIS 27 0.763 -2.138 5.235 177 HB2 HIS 27 HB2 HIS 27 -1.681 -2.039 6.449 178 HB3 HIS 27 HB1 HIS 27 -1.758 -3.605 5.646 179 HD1 HIS 27 HD1 HIS 27 0.770 -1.762 7.828 180 HD2 HIS 27 HD2 HIS 27 -0.780 -5.569 7.213 181 HE1 HIS 27 HE1 HIS 27 1.883 -3.227 9.543 182 HE2 HIS 27 HE2 HIS 27 0.956 -5.533 9.129 183 H CYS 28 HN CYS 28 -1.765 -2.404 2.859 184 HA CYS 28 HA CYS 28 -1.247 -5.047 1.998 185 HB2 CYS 28 HB2 CYS 28 -3.277 -3.554 1.477 186 HB3 CYS 28 HB1 CYS 28 -2.278 -2.851 0.211 187 H PHE 29 HN PHE 29 0.093 -1.918 1.115 188 HA PHE 29 HA PHE 29 1.905 -3.230 -0.784 189 HB2 PHE 29 HB2 PHE 29 0.722 -0.535 -0.591 190 HB3 PHE 29 HB1 PHE 29 2.411 -0.575 -1.088 191 HD1 PHE 29 HD1 PHE 29 -0.034 -3.217 -1.861 192 HD2 PHE 29 HD2 PHE 29 2.088 0.173 -3.317 193 HE1 PHE 29 HE1 PHE 29 -0.722 -3.778 -4.155 194 HE2 PHE 29 HE2 PHE 29 1.402 -0.381 -5.615 195 HZ PHE 29 HZ PHE 29 -0.005 -2.358 -6.036 196 H GLY 30 HN GLY 30 1.775 -1.688 2.288 197 HA2 GLY 30 HA2 GLY 30 3.377 -1.344 3.895 198 HA3 GLY 30 HA1 GLY 30 4.388 -2.462 2.991 199 H ILE 31 HN ILE 31 4.478 0.452 4.286 200 HA ILE 31 HA ILE 31 5.424 2.099 2.165 201 HB ILE 31 HB ILE 31 6.123 2.482 5.065 202 HG12 ILE 31 HG12 ILE 31 3.810 3.981 4.432 203 HG13 ILE 31 HG11 ILE 31 3.495 2.329 3.907 204 HG21 ILE 31 HG21 ILE 31 5.360 4.702 3.264 205 HG22 ILE 31 HG22 ILE 31 6.900 3.904 2.945 206 HG23 ILE 31 HG23 ILE 31 6.594 4.631 4.522 207 HD11 ILE 31 HD11 ILE 31 2.831 2.045 6.022 208 HD12 ILE 31 HD12 ILE 31 3.738 3.442 6.604 209 HD13 ILE 31 HD13 ILE 31 4.556 1.899 6.359 210 H LYS 32 HN LYS 32 6.868 0.299 1.331 211 HA LYS 32 HA LYS 32 9.557 0.983 1.764 212 HB2 LYS 32 HB2 LYS 32 10.207 -1.387 2.623 213 HB3 LYS 32 HB1 LYS 32 9.670 -0.169 3.772 214 HG2 LYS 32 HG2 LYS 32 7.562 -1.170 4.017 215 HG3 LYS 32 HG1 LYS 32 7.777 -2.165 2.575 216 HD2 LYS 32 HD2 LYS 32 8.127 -3.653 4.340 217 HD3 LYS 32 HD1 LYS 32 9.758 -3.207 3.836 218 HE2 LYS 32 HE2 LYS 32 9.460 -1.338 5.656 219 HE3 LYS 32 HE1 LYS 32 8.247 -2.448 6.294 220 HZ1 LYS 32 HZ1 LYS 32 10.315 -4.094 5.863 221 HZ2 LYS 32 HZ2 LYS 32 9.999 -3.338 7.343 222 HZ3 LYS 32 HZ3 LYS 32 11.131 -2.672 6.278 223 H HIS 33 HN HIS 33 9.780 1.009 -0.416 224 HA HIS 33 HA HIS 33 8.951 -1.258 -2.019 225 HB2 HIS 33 HB2 HIS 33 10.026 1.473 -2.590 226 HB3 HIS 33 HB1 HIS 33 10.139 0.234 -3.837 227 HD1 HIS 33 HD1 HIS 33 8.432 1.320 -5.391 228 HD2 HIS 33 HD2 HIS 33 6.941 0.529 -1.594 229 HE1 HIS 33 HE1 HIS 33 5.946 1.666 -5.559 230 HE2 HIS 33 HE2 HIS 33 5.075 1.255 -3.231 231 H HIS 34 HN HIS 34 10.615 -2.437 -0.474 232 HA HIS 34 HA HIS 34 13.370 -2.240 -1.263 233 HB2 HIS 34 HB2 HIS 34 11.851 -4.202 0.457 234 HB3 HIS 34 HB1 HIS 34 13.571 -4.370 0.121 235 HD1 HIS 34 HD1 HIS 34 14.518 -1.496 0.470 236 HD2 HIS 34 HD2 HIS 34 11.826 -3.353 3.032 237 HE1 HIS 34 HE1 HIS 34 14.678 -0.236 2.640 238 HE2 HIS 34 HE2 HIS 34 12.977 -1.323 4.147 239 H SER 35 HN SER 35 12.847 -2.491 -3.602 240 HA SER 35 HA SER 35 11.940 -4.975 -4.626 241 HB2 SER 35 HB2 SER 35 13.204 -2.530 -5.770 242 HB3 SER 35 HB1 SER 35 13.238 -4.003 -6.738 243 HG SER 35 HG SER 35 11.361 -2.623 -7.049 244 H SER 36 HN SER 36 13.157 -6.578 -3.572 245 HA SER 36 HA SER 36 15.603 -7.253 -4.920 246 HB2 SER 36 HB2 SER 36 15.615 -6.360 -2.053 247 HB3 SER 36 HB1 SER 36 16.770 -7.572 -2.606 248 HG SER 36 HG SER 36 17.399 -5.257 -2.727 249 H GLY 37 HN GLY 37 15.023 -9.257 -5.479 250 HA2 GLY 37 HA2 GLY 37 13.881 -10.996 -3.382 251 HA3 GLY 37 HA1 GLY 37 13.544 -11.169 -5.099 252 H SER 38 HN SER 38 15.944 -11.132 -6.285 253 HA SER 38 HA SER 38 17.869 -12.776 -4.934 254 HB2 SER 38 HB2 SER 38 17.667 -14.743 -6.364 255 HB3 SER 38 HB1 SER 38 16.146 -14.459 -5.519 256 HG SER 38 HG SER 38 15.274 -13.637 -7.389 257 H SER 39 HN SER 39 16.956 -12.694 -8.362 258 HA SER 39 HA SER 39 18.830 -10.710 -9.110 259 HB2 SER 39 HB2 SER 39 20.212 -12.535 -10.474 260 HB3 SER 39 HB1 SER 39 20.659 -12.071 -8.832 261 HG SER 39 HG SER 39 20.303 -14.449 -9.528 262 H SER 40 HN SER 40 16.376 -10.647 -9.850 263 HA SER 40 HA SER 40 16.427 -10.956 -12.682 264 HB2 SER 40 HB2 SER 40 15.886 -13.275 -12.113 265 HB3 SER 40 HB1 SER 40 14.531 -12.731 -11.125 266 HG SER 40 HG SER 40 14.747 -12.115 -13.877 267 H TYR 41 HN TYR 41 15.987 -8.739 -12.570 268 HA TYR 41 HA TYR 41 13.174 -8.120 -12.011 269 HB2 TYR 41 HB2 TYR 41 15.423 -7.157 -10.520 270 HB3 TYR 41 HB1 TYR 41 14.683 -5.807 -11.374 271 HD1 TYR 41 HD1 TYR 41 13.368 -8.836 -9.608 272 HD2 TYR 41 HD2 TYR 41 13.268 -4.602 -10.018 273 HE1 TYR 41 HE1 TYR 41 11.615 -8.717 -7.889 274 HE2 TYR 41 HE2 TYR 41 11.515 -4.471 -8.299 275 HH TYR 41 HH TYR 41 9.649 -6.837 -7.389 276 H HIS 42 HN HIS 42 12.661 -5.834 -12.885 277 HA HIS 42 HA HIS 42 14.150 -5.316 -15.362 278 HB2 HIS 42 HB2 HIS 42 12.036 -5.029 -16.589 279 HB3 HIS 42 HB1 HIS 42 12.205 -6.669 -15.971 280 HD1 HIS 42 HD1 HIS 42 10.442 -7.496 -14.356 281 HD2 HIS 42 HD2 HIS 42 10.083 -3.448 -15.223 282 HE1 HIS 42 HE1 HIS 42 8.236 -6.793 -13.375 283 HE2 HIS 42 HE2 HIS 42 8.085 -4.318 -13.830 284 H CYS 43 HN CYS 43 14.327 -3.194 -15.938 285 HA CYS 43 HA CYS 43 13.500 -1.254 -13.933 286 HB2 CYS 43 HB2 CYS 43 15.775 -1.530 -15.499 287 HB3 CYS 43 HB1 CYS 43 14.919 -0.184 -16.243 288 H1 NAG 44 H1 NAG 44 -7.745 7.868 -1.528 289 H2 NAG 44 H2 NAG 44 -4.812 7.117 -1.252 290 H3 NAG 44 H3 NAG 44 -6.118 9.203 -3.036 291 H4 NAG 44 H4 NAG 44 -7.157 7.610 -3.505 292 H5 NAG 44 H5 NAG 44 -5.628 5.757 -2.798 293 H61 NAG 44 H61 NAG 44 -6.117 3.814 -3.029 294 H62 NAG 44 H62 NAG 44 -7.504 4.151 -4.089 295 H81 NAG 44 H81 NAG 44 -3.472 11.038 0.519 296 H82 NAG 44 H82 NAG 44 -5.098 10.813 1.221 297 H83 NAG 44 H83 NAG 44 -3.675 10.080 2.011 298 HN2 NAG 44 HN2 NAG 44 -5.971 9.796 -0.651 299 HO3 NAG 44 HO3 NAG 44 -3.750 7.611 -3.291 300 HO4 NAG 44 HO4 NAG 44 -6.099 8.252 -5.422 301 HO6 NAG 44 HO6 NAG 44 -4.812 4.127 -4.680 302 H1 NAG 45 H1 NAG 45 17.882 -0.522 -14.367 303 H2 NAG 45 H2 NAG 45 17.252 0.258 -11.485 304 H3 NAG 45 H3 NAG 45 19.848 -0.654 -12.807 305 H4 NAG 45 H4 NAG 45 18.078 -2.034 -10.729 306 H5 NAG 45 H5 NAG 45 18.631 -2.751 -13.649 307 H61 NAG 45 H61 NAG 45 16.360 -4.028 -12.321 308 H62 NAG 45 H62 NAG 45 17.889 -4.411 -11.498 309 H81 NAG 45 H81 NAG 45 17.751 4.750 -12.069 310 H82 NAG 45 H82 NAG 45 19.428 4.137 -12.130 311 H83 NAG 45 H83 NAG 45 18.386 4.035 -13.578 312 HN2 NAG 45 HN2 NAG 45 18.970 1.674 -13.466 313 HO3 NAG 45 HO3 NAG 45 19.262 -0.226 -10.046 314 HO4 NAG 45 HO4 NAG 45 20.229 -3.213 -12.141 315 HO6 NAG 45 HO6 NAG 45 17.946 -5.864 -13.093
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