NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
588698 | 2ruu | 11475 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1H GLY 1 -25.837 -7.170 -9.529 2 H2 GLY 1 2H GLY 1 -25.046 -8.601 -9.434 3 H3 GLY 1 3H GLY 1 -24.643 -7.517 -10.595 4 HA2 GLY 1 1HA GLY 1 -24.277 -7.127 -7.695 5 HA3 GLY 1 2HA GLY 1 -22.987 -7.515 -8.847 6 H SER 2 H SER 2 -24.095 -5.055 -7.102 7 HA SER 2 HA SER 2 -23.656 -2.934 -9.176 8 HB2 SER 2 1HB SER 2 -25.564 -2.847 -6.819 9 HB3 SER 2 2HB SER 2 -25.346 -1.598 -8.060 10 HG SER 2 HG SER 2 -27.158 -2.945 -8.490 11 H SER 3 H SER 3 -21.851 -4.197 -6.941 12 HA SER 3 HA SER 3 -21.378 -2.226 -4.961 13 HB2 SER 3 1HB SER 3 -19.452 -4.316 -6.037 14 HB3 SER 3 2HB SER 3 -19.332 -3.469 -4.483 15 HG SER 3 HG SER 3 -20.306 -5.542 -4.264 16 H GLY 4 H GLY 4 -19.847 -0.660 -4.670 17 HA2 GLY 4 1HA GLY 4 -18.604 0.634 -7.012 18 HA3 GLY 4 2HA GLY 4 -18.637 1.212 -5.352 19 H SER 5 H SER 5 -16.414 1.759 -5.585 20 HA SER 5 HA SER 5 -14.323 -0.242 -5.903 21 HB2 SER 5 1HB SER 5 -12.817 1.587 -5.333 22 HB3 SER 5 2HB SER 5 -14.001 2.105 -6.541 23 HG SER 5 HG SER 5 -13.791 3.666 -4.895 24 H SER 6 H SER 6 -12.561 -0.334 -4.119 25 HA SER 6 HA SER 6 -13.649 -1.694 -1.845 26 HB2 SER 6 1HB SER 6 -11.310 -1.926 -1.174 27 HB3 SER 6 2HB SER 6 -11.490 -2.235 -2.911 28 HG SER 6 HG SER 6 -9.764 -0.857 -2.692 29 H GLY 7 H GLY 7 -12.857 1.670 -2.300 30 HA2 GLY 7 1HA GLY 7 -13.013 3.502 -0.912 31 HA3 GLY 7 2HA GLY 7 -13.731 2.477 0.332 32 H LYS 8 H LYS 8 -10.696 1.232 -0.630 33 HA LYS 8 HA LYS 8 -9.527 1.723 1.961 34 HB2 LYS 8 1HB LYS 8 -8.538 0.410 -0.582 35 HB3 LYS 8 2HB LYS 8 -7.516 0.574 0.840 36 HG2 LYS 8 1HG LYS 8 -9.013 -0.704 2.220 37 HG3 LYS 8 2HG LYS 8 -10.274 -0.696 0.984 38 HD2 LYS 8 1HD LYS 8 -8.835 -2.058 -0.513 39 HD3 LYS 8 2HD LYS 8 -7.561 -2.062 0.719 40 HE2 LYS 8 1HE LYS 8 -9.101 -3.189 2.312 41 HE3 LYS 8 2HE LYS 8 -10.373 -3.188 1.085 42 HZ1 LYS 8 3HZ LYS 8 -7.765 -4.598 0.824 43 HZ2 LYS 8 1HZ LYS 8 -8.950 -4.604 -0.301 44 HZ3 LYS 8 2HZ LYS 8 -9.195 -5.315 1.146 45 HA PRO 9 HA PRO 9 -7.986 5.701 0.635 46 HB2 PRO 9 1HB PRO 9 -7.093 6.710 3.008 47 HB3 PRO 9 2HB PRO 9 -8.824 6.466 2.644 48 HG2 PRO 9 1HG PRO 9 -6.962 4.657 4.186 49 HG3 PRO 9 2HG PRO 9 -8.593 5.182 4.663 50 HD2 PRO 9 1HD PRO 9 -8.116 2.758 3.460 51 HD3 PRO 9 2HD PRO 9 -9.604 3.686 3.178 52 H TYR 10 H TYR 10 -5.812 3.520 2.482 53 HA TYR 10 HA TYR 10 -3.488 5.138 1.801 54 HB2 TYR 10 1HB TYR 10 -3.643 2.440 3.182 55 HB3 TYR 10 2HB TYR 10 -2.240 3.496 3.092 56 HD1 TYR 10 2HD TYR 10 -2.326 5.786 4.228 57 HD2 TYR 10 1HD TYR 10 -5.344 2.763 4.822 58 HE1 TYR 10 2HE TYR 10 -3.109 6.957 6.287 59 HE2 TYR 10 1HE TYR 10 -6.101 3.905 6.879 60 HH TYR 10 HH TYR 10 -5.801 5.698 8.293 61 H LYS 11 H LYS 11 -3.153 5.120 -0.361 62 HA LYS 11 HA LYS 11 -2.943 2.527 -1.826 63 HB2 LYS 11 1HB LYS 11 -3.270 5.302 -2.997 64 HB3 LYS 11 2HB LYS 11 -3.334 3.752 -3.847 65 HG2 LYS 11 1HG LYS 11 -5.365 3.212 -2.307 66 HG3 LYS 11 2HG LYS 11 -5.357 4.939 -1.918 67 HD2 LYS 11 1HD LYS 11 -5.404 5.389 -4.426 68 HD3 LYS 11 2HD LYS 11 -5.702 3.670 -4.672 69 HE2 LYS 11 1HE LYS 11 -7.465 5.594 -3.078 70 HE3 LYS 11 2HE LYS 11 -7.752 5.081 -4.742 71 HZ1 LYS 11 3HZ LYS 11 -7.899 2.759 -3.869 72 HZ2 LYS 11 1HZ LYS 11 -9.077 3.741 -3.308 73 HZ3 LYS 11 2HZ LYS 11 -7.839 3.357 -2.329 74 H CYS 12 H CYS 12 -1.262 2.027 -3.148 75 HA CYS 12 HA CYS 12 1.346 3.030 -2.468 76 HB2 CYS 12 1HB CYS 12 0.935 0.708 -2.990 77 HB3 CYS 12 2HB CYS 12 0.386 1.134 -4.617 78 HA PRO 13 HA PRO 13 1.483 6.232 -5.678 79 HB2 PRO 13 1HB PRO 13 4.097 6.981 -5.486 80 HB3 PRO 13 2HB PRO 13 2.892 7.352 -4.217 81 HG2 PRO 13 1HG PRO 13 4.874 5.054 -4.285 82 HG3 PRO 13 2HG PRO 13 4.548 6.195 -2.941 83 HD2 PRO 13 1HD PRO 13 3.393 3.722 -3.097 84 HD3 PRO 13 2HD PRO 13 2.516 5.115 -2.404 85 H GLN 14 H GLN 14 3.066 3.164 -5.817 86 HA GLN 14 HA GLN 14 3.857 3.613 -8.680 87 HB2 GLN 14 1HB GLN 14 5.098 1.727 -6.648 88 HB3 GLN 14 2HB GLN 14 5.515 1.835 -8.364 89 HG2 GLN 14 1HG GLN 14 6.137 4.259 -8.001 90 HG3 GLN 14 2HG GLN 14 5.875 4.022 -6.273 91 HE21 GLN 14 1HE2 GLN 14 8.229 4.811 -6.293 92 HE22 GLN 14 2HE2 GLN 14 9.455 3.565 -6.478 93 H CYS 15 H CYS 15 2.010 1.529 -6.521 94 HA CYS 15 HA CYS 15 1.324 -0.269 -8.825 95 HB2 CYS 15 1HB CYS 15 0.831 -0.873 -5.910 96 HB3 CYS 15 2HB CYS 15 0.860 -1.991 -7.270 97 H SER 16 H SER 16 -0.868 -1.342 -8.528 98 HA SER 16 HA SER 16 -3.061 0.573 -8.097 99 HB2 SER 16 1HB SER 16 -4.471 -1.351 -8.799 100 HB3 SER 16 2HB SER 16 -3.211 -0.940 -9.974 101 HG SER 16 HG SER 16 -3.338 -3.209 -9.586 102 H TYR 17 H TYR 17 -1.171 -1.084 -5.993 103 HA TYR 17 HA TYR 17 -2.884 -2.502 -4.246 104 HB2 TYR 17 1HB TYR 17 -0.468 -2.760 -4.260 105 HB3 TYR 17 2HB TYR 17 -0.241 -1.084 -3.798 106 HD1 TYR 17 2HD TYR 17 -1.201 -4.441 -2.614 107 HD2 TYR 17 1HD TYR 17 -0.606 -0.314 -1.470 108 HE1 TYR 17 2HE TYR 17 -1.150 -5.099 -0.208 109 HE2 TYR 17 1HE TYR 17 -0.562 -0.973 0.906 110 HH TYR 17 HH TYR 17 -0.563 -2.722 2.393 111 H ALA 18 H ALA 18 -4.147 -1.956 -2.576 112 HA ALA 18 HA ALA 18 -3.876 0.642 -1.258 113 HB1 ALA 18 1HB ALA 18 -5.614 1.001 -3.007 114 HB2 ALA 18 2HB ALA 18 -6.564 -0.332 -2.313 115 HB3 ALA 18 3HB ALA 18 -6.264 1.142 -1.361 116 H SER 19 H SER 19 -4.538 0.653 0.893 117 HA SER 19 HA SER 19 -5.747 -1.802 2.054 118 HB2 SER 19 1HB SER 19 -3.189 -1.855 2.224 119 HB3 SER 19 2HB SER 19 -3.353 -0.521 3.384 120 HG SER 19 HG SER 19 -4.430 -3.162 3.501 121 H ALA 20 H ALA 20 -6.458 -1.521 4.281 122 HA ALA 20 HA ALA 20 -7.784 1.089 4.712 123 HB1 ALA 20 1HB ALA 20 -9.157 -0.175 6.300 124 HB2 ALA 20 2HB ALA 20 -9.112 -0.992 4.729 125 HB3 ALA 20 3HB ALA 20 -8.131 -1.607 6.081 126 H ILE 21 H ILE 21 -4.855 -0.211 5.630 127 HA ILE 21 HA ILE 21 -4.724 1.361 8.174 128 HB ILE 21 HB ILE 21 -3.617 -1.411 7.621 129 HG12 ILE 21 1HG1 ILE 21 -5.713 -0.484 9.636 130 HG13 ILE 21 2HG1 ILE 21 -6.034 -1.398 8.162 131 HG21 ILE 21 1HG2 ILE 21 -2.722 -1.364 9.927 132 HG22 ILE 21 2HG2 ILE 21 -1.990 -0.141 8.933 133 HG23 ILE 21 3HG2 ILE 21 -3.254 0.325 10.101 134 HD11 ILE 21 3HD1 ILE 21 -4.598 -3.266 9.053 135 HD12 ILE 21 1HD1 ILE 21 -4.571 -2.406 10.614 136 HD13 ILE 21 2HD1 ILE 21 -6.108 -2.956 9.937 137 H LYS 22 H LYS 22 -3.034 2.727 8.304 138 HA LYS 22 HA LYS 22 -1.395 3.324 6.063 139 HB2 LYS 22 1HB LYS 22 -2.097 4.845 7.976 140 HB3 LYS 22 2HB LYS 22 -0.857 4.081 8.970 141 HG2 LYS 22 1HG LYS 22 0.893 4.829 7.378 142 HG3 LYS 22 2HG LYS 22 -0.354 5.517 6.319 143 HD2 LYS 22 1HD LYS 22 -1.028 7.079 8.130 144 HD3 LYS 22 2HD LYS 22 0.226 6.390 9.186 145 HE2 LYS 22 1HE LYS 22 1.969 7.066 7.545 146 HE3 LYS 22 2HE LYS 22 0.721 7.752 6.497 147 HZ1 LYS 22 3HZ LYS 22 0.179 9.323 8.284 148 HZ2 LYS 22 1HZ LYS 22 1.752 9.462 7.880 149 HZ3 LYS 22 2HZ LYS 22 1.333 8.689 9.253 150 H ALA 23 H ALA 23 -0.617 1.420 8.965 151 HA ALA 23 HA ALA 23 2.134 1.008 8.399 152 HB1 ALA 23 1HB ALA 23 0.199 -0.730 9.968 153 HB2 ALA 23 2HB ALA 23 1.974 -0.769 10.064 154 HB3 ALA 23 3HB ALA 23 1.099 0.679 10.595 155 H ASN 24 H ASN 24 -0.727 -0.739 7.146 156 HA ASN 24 HA ASN 24 0.752 -2.950 5.996 157 HB2 ASN 24 1HB ASN 24 -1.941 -1.690 5.313 158 HB3 ASN 24 2HB ASN 24 -1.309 -3.127 4.535 159 HD21 ASN 24 1HD2 ASN 24 -3.679 -3.369 5.602 160 HD22 ASN 24 2HD2 ASN 24 -3.598 -4.366 7.061 161 H LEU 25 H LEU 25 -0.176 0.299 4.757 162 HA LEU 25 HA LEU 25 1.093 -0.070 2.190 163 HB2 LEU 25 1HB LEU 25 -0.670 1.592 2.535 164 HB3 LEU 25 2HB LEU 25 0.319 2.442 3.727 165 HG LEU 25 HG LEU 25 2.000 2.966 1.978 166 HD11 LEU 25 1HD1 LEU 25 1.429 2.610 -0.400 167 HD12 LEU 25 2HD1 LEU 25 0.009 1.647 0.083 168 HD13 LEU 25 3HD1 LEU 25 1.658 1.081 0.433 169 HD21 LEU 25 3HD2 LEU 25 0.157 4.541 2.454 170 HD22 LEU 25 1HD2 LEU 25 -0.795 3.778 1.157 171 HD23 LEU 25 2HD2 LEU 25 0.714 4.621 0.773 172 H ASN 26 H ASN 26 2.225 1.294 5.320 173 HA ASN 26 HA ASN 26 4.803 2.119 4.534 174 HB2 ASN 26 1HB ASN 26 3.681 2.533 6.711 175 HB3 ASN 26 2HB ASN 26 3.930 0.846 7.152 176 HD21 ASN 26 1HD2 ASN 26 4.933 3.540 8.249 177 HD22 ASN 26 2HD2 ASN 26 6.648 3.220 8.454 178 H VAL 27 H VAL 27 3.851 -1.193 5.678 179 HA VAL 27 HA VAL 27 6.394 -2.406 5.172 180 HB VAL 27 HB VAL 27 3.599 -3.572 5.270 181 HG11 VAL 27 1HG1 VAL 27 4.706 -5.785 5.607 182 HG12 VAL 27 2HG1 VAL 27 4.944 -5.159 3.976 183 HG13 VAL 27 3HG1 VAL 27 6.264 -5.051 5.163 184 HG21 VAL 27 3HG2 VAL 27 4.507 -2.603 7.394 185 HG22 VAL 27 1HG2 VAL 27 4.317 -4.357 7.489 186 HG23 VAL 27 2HG2 VAL 27 5.930 -3.651 7.241 187 H HIS 28 H HIS 28 3.569 -1.986 2.987 188 HA HIS 28 HA HIS 28 4.686 -3.440 0.813 189 HB2 HIS 28 1HB HIS 28 2.317 -2.842 0.992 190 HB3 HIS 28 2HB HIS 28 2.701 -1.132 0.857 191 HD1 HIS 28 1HD HIS 28 2.417 -4.257 -1.331 192 HD2 HIS 28 2HD HIS 28 3.300 -0.157 -1.556 193 HE1 HIS 28 1HE HIS 28 2.476 -3.700 -3.808 194 H LEU 29 H LEU 29 5.016 0.016 1.692 195 HA LEU 29 HA LEU 29 6.555 0.793 -0.625 196 HB2 LEU 29 1HB LEU 29 6.338 1.963 2.151 197 HB3 LEU 29 2HB LEU 29 7.212 2.749 0.839 198 HG LEU 29 HG LEU 29 4.327 1.983 0.483 199 HD11 LEU 29 1HD1 LEU 29 5.604 4.450 1.747 200 HD12 LEU 29 2HD1 LEU 29 4.556 3.278 2.558 201 HD13 LEU 29 3HD1 LEU 29 3.870 4.349 1.307 202 HD21 LEU 29 3HD2 LEU 29 6.077 4.127 -0.785 203 HD22 LEU 29 1HD2 LEU 29 4.330 3.946 -1.035 204 HD23 LEU 29 2HD2 LEU 29 5.421 2.673 -1.577 205 H ARG 30 H ARG 30 7.548 -0.645 2.459 206 HA ARG 30 HA ARG 30 10.261 0.091 2.346 207 HB2 ARG 30 1HB ARG 30 8.993 -2.493 3.358 208 HB3 ARG 30 2HB ARG 30 10.703 -2.134 3.586 209 HG2 ARG 30 1HG ARG 30 10.259 -0.226 4.964 210 HG3 ARG 30 2HG ARG 30 8.554 -0.233 4.547 211 HD2 ARG 30 1HD ARG 30 8.496 -2.623 5.593 212 HD3 ARG 30 2HD ARG 30 10.058 -2.178 6.306 213 HE ARG 30 HE ARG 30 7.982 -0.160 6.723 214 HH11 ARG 30 2HH1 ARG 30 9.121 -3.193 8.088 215 HH12 ARG 30 1HH1 ARG 30 8.380 -2.858 9.629 216 HH21 ARG 30 2HH2 ARG 30 7.117 0.194 8.625 217 HH22 ARG 30 1HH2 ARG 30 7.261 -0.954 9.945 218 H LYS 31 H LYS 31 8.557 -2.090 0.319 219 HA LYS 31 HA LYS 31 10.878 -3.387 -0.943 220 HB2 LYS 31 1HB LYS 31 7.927 -3.353 -1.707 221 HB3 LYS 31 2HB LYS 31 9.163 -4.398 -2.403 222 HG2 LYS 31 1HG LYS 31 9.506 -5.537 -0.279 223 HG3 LYS 31 2HG LYS 31 8.389 -4.443 0.556 224 HD2 LYS 31 1HD LYS 31 6.523 -5.202 -0.840 225 HD3 LYS 31 2HD LYS 31 7.583 -6.328 -1.701 226 HE2 LYS 31 1HE LYS 31 7.037 -6.373 1.307 227 HE3 LYS 31 2HE LYS 31 6.160 -7.346 0.123 228 HZ1 LYS 31 3HZ LYS 31 8.269 -8.416 -0.475 229 HZ2 LYS 31 1HZ LYS 31 7.949 -8.626 1.109 230 HZ3 LYS 31 2HZ LYS 31 9.078 -7.546 0.650 231 H HIS 32 H HIS 32 9.027 -0.437 -1.440 232 HA HIS 32 HA HIS 32 10.166 -0.010 -4.146 233 HB2 HIS 32 1HB HIS 32 8.270 1.601 -2.401 234 HB3 HIS 32 2HB HIS 32 8.812 2.088 -4.008 235 HD1 HIS 32 1HD HIS 32 8.372 -0.266 -5.829 236 HD2 HIS 32 2HD HIS 32 5.840 0.701 -2.618 237 HE1 HIS 32 1HE HIS 32 6.176 -1.421 -6.323 238 H THR 33 H THR 33 10.656 1.177 -0.799 239 HA THR 33 HA THR 33 12.369 3.370 -1.625 240 HB THR 33 HB THR 33 12.824 3.629 0.794 241 HG1 THR 33 1HG THR 33 11.765 2.305 2.229 242 HG21 THR 33 3HG2 THR 33 10.848 4.711 -0.216 243 HG22 THR 33 1HG2 THR 33 10.554 4.240 1.466 244 HG23 THR 33 2HG2 THR 33 9.866 3.276 0.143 245 H GLY 34 H GLY 34 13.065 0.022 -1.183 246 HA2 GLY 34 1HA GLY 34 15.809 0.408 -1.979 247 HA3 GLY 34 2HA GLY 34 15.708 -0.046 -0.277 248 H GLU 35 H GLU 35 17.053 -1.622 -2.029 249 HA GLU 35 HA GLU 35 15.623 -4.172 -1.854 250 HB2 GLU 35 1HB GLU 35 15.974 -4.811 -4.167 251 HB3 GLU 35 2HB GLU 35 14.936 -3.395 -4.081 252 HG2 GLU 35 1HG GLU 35 16.792 -1.930 -4.750 253 HG3 GLU 35 2HG GLU 35 17.925 -3.283 -4.698 254 H LYS 36 H LYS 36 17.052 -6.002 -2.523 255 HA LYS 36 HA LYS 36 18.836 -7.308 -2.000 256 HB2 LYS 36 1HB LYS 36 20.392 -5.111 -3.405 257 HB3 LYS 36 2HB LYS 36 20.919 -6.776 -3.133 258 HG2 LYS 36 1HG LYS 36 18.928 -7.563 -4.481 259 HG3 LYS 36 2HG LYS 36 18.599 -5.866 -4.888 260 HD2 LYS 36 1HD LYS 36 20.905 -5.699 -5.886 261 HD3 LYS 36 2HD LYS 36 21.168 -7.397 -5.476 262 HE2 LYS 36 1HE LYS 36 20.577 -7.516 -7.716 263 HE3 LYS 36 2HE LYS 36 19.076 -7.927 -6.883 264 HZ1 LYS 36 3HZ LYS 36 18.689 -6.329 -8.663 265 HZ2 LYS 36 1HZ LYS 36 19.752 -5.266 -8.033 266 HZ3 LYS 36 2HZ LYS 36 18.351 -5.582 -7.254 Start of MODEL 2 1 H1 GLY 1 1H GLY 1 -27.472 -3.861 -2.425 2 H2 GLY 1 2H GLY 1 -28.066 -5.312 -2.902 3 H3 GLY 1 3H GLY 1 -26.448 -5.048 -2.893 4 HA2 GLY 1 1HA GLY 1 -28.173 -5.126 -0.506 5 HA3 GLY 1 2HA GLY 1 -27.079 -6.425 -1.019 6 H SER 2 H SER 2 -27.105 -4.914 1.468 7 HA SER 2 HA SER 2 -25.794 -3.925 2.989 8 HB2 SER 2 1HB SER 2 -23.467 -4.632 1.180 9 HB3 SER 2 2HB SER 2 -23.371 -4.168 2.884 10 HG SER 2 HG SER 2 -23.375 -6.451 2.597 11 H SER 3 H SER 3 -24.290 -2.159 3.582 12 HA SER 3 HA SER 3 -25.120 0.287 2.341 13 HB2 SER 3 1HB SER 3 -22.942 -0.187 4.409 14 HB3 SER 3 2HB SER 3 -23.707 1.367 4.023 15 HG SER 3 HG SER 3 -24.657 0.363 5.865 16 H GLY 4 H GLY 4 -23.880 1.953 1.397 17 HA2 GLY 4 1HA GLY 4 -21.775 1.196 -0.454 18 HA3 GLY 4 2HA GLY 4 -22.380 2.821 -0.145 19 H SER 5 H SER 5 -19.728 2.453 -0.604 20 HA SER 5 HA SER 5 -18.460 3.311 1.925 21 HB2 SER 5 1HB SER 5 -18.127 0.872 1.891 22 HB3 SER 5 2HB SER 5 -17.413 0.978 0.272 23 HG SER 5 HG SER 5 -15.896 0.926 2.087 24 H SER 6 H SER 6 -16.586 4.526 1.653 25 HA SER 6 HA SER 6 -16.069 5.738 -0.983 26 HB2 SER 6 1HB SER 6 -14.507 7.174 0.314 27 HB3 SER 6 2HB SER 6 -16.177 7.219 0.901 28 HG SER 6 HG SER 6 -14.654 7.004 2.615 29 H GLY 7 H GLY 7 -14.963 2.975 0.628 30 HA2 GLY 7 1HA GLY 7 -13.424 1.407 -0.118 31 HA3 GLY 7 2HA GLY 7 -12.842 2.535 -1.334 32 H LYS 8 H LYS 8 -10.860 1.333 -0.553 33 HA LYS 8 HA LYS 8 -9.684 1.868 2.019 34 HB2 LYS 8 1HB LYS 8 -8.622 0.739 -0.583 35 HB3 LYS 8 2HB LYS 8 -7.607 0.919 0.846 36 HG2 LYS 8 1HG LYS 8 -8.932 -0.584 2.145 37 HG3 LYS 8 2HG LYS 8 -10.251 -0.578 0.970 38 HD2 LYS 8 1HD LYS 8 -8.836 -1.716 -0.692 39 HD3 LYS 8 2HD LYS 8 -7.463 -1.672 0.427 40 HE2 LYS 8 1HE LYS 8 -8.738 -3.063 2.047 41 HE3 LYS 8 2HE LYS 8 -10.103 -3.114 0.925 42 HZ1 LYS 8 3HZ LYS 8 -8.678 -4.267 -0.673 43 HZ2 LYS 8 1HZ LYS 8 -8.698 -5.097 0.730 44 HZ3 LYS 8 2HZ LYS 8 -7.394 -4.197 0.336 45 HA PRO 9 HA PRO 9 -8.186 5.927 0.829 46 HB2 PRO 9 1HB PRO 9 -7.213 6.811 3.208 47 HB3 PRO 9 2HB PRO 9 -8.951 6.571 2.901 48 HG2 PRO 9 1HG PRO 9 -7.031 4.732 4.318 49 HG3 PRO 9 2HG PRO 9 -8.676 5.188 4.826 50 HD2 PRO 9 1HD PRO 9 -8.066 2.833 3.471 51 HD3 PRO 9 2HD PRO 9 -9.639 3.657 3.369 52 H TYR 10 H TYR 10 -5.953 3.684 2.549 53 HA TYR 10 HA TYR 10 -3.645 5.280 1.779 54 HB2 TYR 10 1HB TYR 10 -3.737 2.561 3.136 55 HB3 TYR 10 2HB TYR 10 -2.360 3.640 3.049 56 HD1 TYR 10 2HD TYR 10 -2.571 5.985 4.145 57 HD2 TYR 10 1HD TYR 10 -5.322 2.747 4.891 58 HE1 TYR 10 2HE TYR 10 -3.350 7.120 6.219 59 HE2 TYR 10 1HE TYR 10 -6.062 3.856 6.985 60 HH TYR 10 HH TYR 10 -4.748 7.025 8.037 61 H LYS 11 H LYS 11 -2.803 5.142 -0.254 62 HA LYS 11 HA LYS 11 -2.861 2.532 -1.720 63 HB2 LYS 11 1HB LYS 11 -3.394 5.275 -2.912 64 HB3 LYS 11 2HB LYS 11 -3.356 3.726 -3.764 65 HG2 LYS 11 1HG LYS 11 -5.252 2.964 -2.220 66 HG3 LYS 11 2HG LYS 11 -5.378 4.642 -1.680 67 HD2 LYS 11 1HD LYS 11 -5.753 5.349 -4.039 68 HD3 LYS 11 2HD LYS 11 -5.709 3.645 -4.542 69 HE2 LYS 11 1HE LYS 11 -7.623 3.155 -3.029 70 HE3 LYS 11 2HE LYS 11 -7.661 4.844 -2.520 71 HZ1 LYS 11 3HZ LYS 11 -9.297 4.416 -4.259 72 HZ2 LYS 11 1HZ LYS 11 -8.150 3.896 -5.297 73 HZ3 LYS 11 2HZ LYS 11 -8.180 5.460 -4.824 74 H CYS 12 H CYS 12 -1.243 2.073 -3.156 75 HA CYS 12 HA CYS 12 1.363 3.128 -2.524 76 HB2 CYS 12 1HB CYS 12 0.994 0.793 -2.988 77 HB3 CYS 12 2HB CYS 12 0.402 1.170 -4.618 78 HA PRO 13 HA PRO 13 1.429 6.274 -5.786 79 HB2 PRO 13 1HB PRO 13 4.045 7.036 -5.637 80 HB3 PRO 13 2HB PRO 13 2.850 7.427 -4.364 81 HG2 PRO 13 1HG PRO 13 4.846 5.142 -4.413 82 HG3 PRO 13 2HG PRO 13 4.523 6.302 -3.084 83 HD2 PRO 13 1HD PRO 13 3.388 3.817 -3.194 84 HD3 PRO 13 2HD PRO 13 2.508 5.214 -2.509 85 H GLN 14 H GLN 14 3.031 3.215 -5.899 86 HA GLN 14 HA GLN 14 3.805 3.628 -8.772 87 HB2 GLN 14 1HB GLN 14 5.062 1.786 -6.709 88 HB3 GLN 14 2HB GLN 14 5.475 1.862 -8.428 89 HG2 GLN 14 1HG GLN 14 6.091 4.291 -8.119 90 HG3 GLN 14 2HG GLN 14 5.822 4.097 -6.386 91 HE21 GLN 14 1HE2 GLN 14 8.167 4.876 -6.375 92 HE22 GLN 14 2HE2 GLN 14 9.400 3.634 -6.543 93 H CYS 15 H CYS 15 1.972 1.566 -6.583 94 HA CYS 15 HA CYS 15 1.310 -0.283 -8.852 95 HB2 CYS 15 1HB CYS 15 0.882 -0.859 -5.919 96 HB3 CYS 15 2HB CYS 15 0.918 -1.996 -7.263 97 H SER 16 H SER 16 -0.848 -1.405 -8.497 98 HA SER 16 HA SER 16 -3.065 0.501 -8.009 99 HB2 SER 16 1HB SER 16 -3.097 -2.417 -8.866 100 HB3 SER 16 2HB SER 16 -4.515 -1.364 -8.725 101 HG SER 16 HG SER 16 -2.278 -0.948 -10.453 102 H TYR 17 H TYR 17 -1.130 -1.030 -5.941 103 HA TYR 17 HA TYR 17 -2.763 -2.545 -4.175 104 HB2 TYR 17 1HB TYR 17 -0.355 -2.722 -4.160 105 HB3 TYR 17 2HB TYR 17 -0.175 -1.017 -3.785 106 HD1 TYR 17 1HD TYR 17 -0.688 -0.123 -1.505 107 HD2 TYR 17 2HD TYR 17 -0.888 -4.344 -2.412 108 HE1 TYR 17 1HE TYR 17 -0.735 -0.645 0.918 109 HE2 TYR 17 2HE TYR 17 -0.880 -4.856 0.024 110 HH TYR 17 HH TYR 17 -0.814 -3.998 2.140 111 H ALA 18 H ALA 18 -4.050 -2.036 -2.519 112 HA ALA 18 HA ALA 18 -3.910 0.590 -1.237 113 HB1 ALA 18 1HB ALA 18 -6.550 -0.544 -2.257 114 HB2 ALA 18 2HB ALA 18 -6.315 0.968 -1.348 115 HB3 ALA 18 3HB ALA 18 -5.672 0.813 -2.994 116 H SER 19 H SER 19 -4.631 0.608 0.913 117 HA SER 19 HA SER 19 -5.794 -1.850 2.076 118 HB2 SER 19 1HB SER 19 -3.291 -2.021 2.344 119 HB3 SER 19 2HB SER 19 -3.359 -0.570 3.361 120 HG SER 19 HG SER 19 -4.790 -3.023 3.777 121 H ALA 20 H ALA 20 -6.668 -1.560 4.212 122 HA ALA 20 HA ALA 20 -7.778 1.123 4.751 123 HB1 ALA 20 1HB ALA 20 -8.251 -1.576 6.080 124 HB2 ALA 20 2HB ALA 20 -9.163 -0.082 6.376 125 HB3 ALA 20 3HB ALA 20 -9.244 -0.862 4.786 126 H ILE 21 H ILE 21 -4.901 -0.430 5.518 127 HA ILE 21 HA ILE 21 -4.604 1.011 8.129 128 HB ILE 21 HB ILE 21 -3.419 -1.672 7.336 129 HG12 ILE 21 1HG1 ILE 21 -5.655 -1.046 9.318 130 HG13 ILE 21 2HG1 ILE 21 -5.852 -1.857 7.764 131 HG21 ILE 21 1HG2 ILE 21 -1.967 -0.332 8.868 132 HG22 ILE 21 2HG2 ILE 21 -3.325 -0.176 10.002 133 HG23 ILE 21 3HG2 ILE 21 -2.592 -1.757 9.659 134 HD11 ILE 21 3HD1 ILE 21 -4.355 -3.705 8.566 135 HD12 ILE 21 1HD1 ILE 21 -4.413 -2.968 10.189 136 HD13 ILE 21 2HD1 ILE 21 -5.900 -3.544 9.425 137 H LYS 22 H LYS 22 -3.074 2.514 8.140 138 HA LYS 22 HA LYS 22 -1.420 3.147 5.917 139 HB2 LYS 22 1HB LYS 22 -2.258 4.680 7.754 140 HB3 LYS 22 2HB LYS 22 -1.018 4.012 8.816 141 HG2 LYS 22 1HG LYS 22 0.748 4.801 7.249 142 HG3 LYS 22 2HG LYS 22 -0.503 5.416 6.150 143 HD2 LYS 22 1HD LYS 22 -1.285 6.976 7.921 144 HD3 LYS 22 2HD LYS 22 -0.032 6.352 9.018 145 HE2 LYS 22 1HE LYS 22 1.724 7.074 7.407 146 HE3 LYS 22 2HE LYS 22 0.474 7.702 6.325 147 HZ1 LYS 22 3HZ LYS 22 -0.164 9.269 8.085 148 HZ2 LYS 22 1HZ LYS 22 1.412 9.462 7.713 149 HZ3 LYS 22 2HZ LYS 22 0.991 8.687 9.085 150 H ALA 23 H ALA 23 -0.602 1.377 8.896 151 HA ALA 23 HA ALA 23 2.186 1.086 8.442 152 HB1 ALA 23 1HB ALA 23 0.239 -0.773 9.870 153 HB2 ALA 23 2HB ALA 23 2.001 -0.742 10.075 154 HB3 ALA 23 3HB ALA 23 1.031 0.653 10.588 155 H ASN 24 H ASN 24 -0.552 -0.785 7.115 156 HA ASN 24 HA ASN 24 1.063 -2.938 6.065 157 HB2 ASN 24 1HB ASN 24 -1.471 -2.866 6.593 158 HB3 ASN 24 2HB ASN 24 -1.657 -2.016 5.060 159 HD21 ASN 24 1HD2 ASN 24 -3.051 -3.851 4.595 160 HD22 ASN 24 2HD2 ASN 24 -2.343 -5.379 4.062 161 H LEU 25 H LEU 25 -0.176 0.145 4.689 162 HA LEU 25 HA LEU 25 1.099 -0.123 2.133 163 HB2 LEU 25 1HB LEU 25 -0.700 1.485 2.502 164 HB3 LEU 25 2HB LEU 25 0.249 2.329 3.727 165 HG LEU 25 HG LEU 25 1.923 2.982 2.017 166 HD11 LEU 25 1HD1 LEU 25 1.405 2.678 -0.380 167 HD12 LEU 25 2HD1 LEU 25 0.006 1.661 0.052 168 HD13 LEU 25 3HD1 LEU 25 1.664 1.127 0.409 169 HD21 LEU 25 3HD2 LEU 25 0.572 4.613 0.840 170 HD22 LEU 25 1HD2 LEU 25 0.023 4.465 2.519 171 HD23 LEU 25 2HD2 LEU 25 -0.900 3.695 1.207 172 H ASN 26 H ASN 26 2.268 1.253 5.268 173 HA ASN 26 HA ASN 26 4.765 2.175 4.304 174 HB2 ASN 26 1HB ASN 26 3.751 2.644 6.553 175 HB3 ASN 26 2HB ASN 26 4.172 1.003 7.046 176 HD21 ASN 26 1HD2 ASN 26 5.316 2.276 8.785 177 HD22 ASN 26 2HD2 ASN 26 6.947 2.815 8.415 178 H VAL 27 H VAL 27 3.984 -1.127 5.592 179 HA VAL 27 HA VAL 27 6.574 -2.247 5.026 180 HB VAL 27 HB VAL 27 3.815 -3.532 5.223 181 HG11 VAL 27 1HG1 VAL 27 5.028 -5.679 5.619 182 HG12 VAL 27 2HG1 VAL 27 5.215 -5.097 3.967 183 HG13 VAL 27 3HG1 VAL 27 6.545 -4.890 5.132 184 HG21 VAL 27 3HG2 VAL 27 4.690 -2.467 7.309 185 HG22 VAL 27 1HG2 VAL 27 4.599 -4.226 7.452 186 HG23 VAL 27 2HG2 VAL 27 6.169 -3.437 7.166 187 H HIS 28 H HIS 28 3.660 -1.937 2.930 188 HA HIS 28 HA HIS 28 4.788 -3.363 0.737 189 HB2 HIS 28 1HB HIS 28 2.402 -2.857 0.911 190 HB3 HIS 28 2HB HIS 28 2.717 -1.131 0.805 191 HD1 HIS 28 1HD HIS 28 2.538 -4.219 -1.438 192 HD2 HIS 28 2HD HIS 28 3.346 -0.100 -1.587 193 HE1 HIS 28 1HE HIS 28 2.632 -3.625 -3.904 194 H LEU 29 H LEU 29 4.981 0.108 1.603 195 HA LEU 29 HA LEU 29 6.566 0.922 -0.675 196 HB2 LEU 29 1HB LEU 29 6.235 2.096 2.090 197 HB3 LEU 29 2HB LEU 29 7.148 2.884 0.807 198 HG LEU 29 HG LEU 29 4.277 2.094 0.369 199 HD11 LEU 29 1HD1 LEU 29 3.779 4.467 1.132 200 HD12 LEU 29 2HD1 LEU 29 5.502 4.601 1.609 201 HD13 LEU 29 3HD1 LEU 29 4.446 3.441 2.427 202 HD21 LEU 29 3HD2 LEU 29 6.073 4.215 -0.884 203 HD22 LEU 29 1HD2 LEU 29 4.332 4.053 -1.171 204 HD23 LEU 29 2HD2 LEU 29 5.417 2.759 -1.673 205 H ARG 30 H ARG 30 7.475 -0.425 2.503 206 HA ARG 30 HA ARG 30 10.185 0.282 2.383 207 HB2 ARG 30 1HB ARG 30 8.807 -2.128 3.631 208 HB3 ARG 30 2HB ARG 30 10.556 -1.934 3.721 209 HG2 ARG 30 1HG ARG 30 10.351 0.196 4.864 210 HG3 ARG 30 2HG ARG 30 8.611 0.193 4.691 211 HD2 ARG 30 1HD ARG 30 9.134 -0.469 6.945 212 HD3 ARG 30 2HD ARG 30 8.472 -1.857 6.094 213 HE ARG 30 HE ARG 30 10.500 -2.975 6.269 214 HH11 ARG 30 2HH1 ARG 30 11.086 0.341 7.254 215 HH12 ARG 30 1HH1 ARG 30 12.674 -0.031 7.865 216 HH21 ARG 30 2HH2 ARG 30 12.531 -3.369 7.059 217 HH22 ARG 30 1HH2 ARG 30 13.463 -2.076 7.754 218 H LYS 31 H LYS 31 8.486 -2.049 0.483 219 HA LYS 31 HA LYS 31 10.830 -3.408 -0.655 220 HB2 LYS 31 1HB LYS 31 7.939 -3.358 -1.618 221 HB3 LYS 31 2HB LYS 31 9.212 -4.446 -2.164 222 HG2 LYS 31 1HG LYS 31 9.385 -5.421 0.108 223 HG3 LYS 31 2HG LYS 31 8.097 -4.343 0.678 224 HD2 LYS 31 1HD LYS 31 6.515 -5.342 -0.940 225 HD3 LYS 31 2HD LYS 31 7.797 -6.435 -1.516 226 HE2 LYS 31 1HE LYS 31 8.021 -7.351 0.798 227 HE3 LYS 31 2HE LYS 31 6.711 -6.292 1.337 228 HZ1 LYS 31 3HZ LYS 31 6.446 -8.432 -0.715 229 HZ2 LYS 31 1HZ LYS 31 5.230 -7.457 -0.223 230 HZ3 LYS 31 2HZ LYS 31 5.895 -8.523 0.817 231 H HIS 32 H HIS 32 8.928 -0.509 -1.423 232 HA HIS 32 HA HIS 32 10.220 -0.163 -4.049 233 HB2 HIS 32 1HB HIS 32 8.371 1.565 -2.371 234 HB3 HIS 32 2HB HIS 32 8.999 2.034 -3.953 235 HD1 HIS 32 1HD HIS 32 8.489 -0.270 -5.817 236 HD2 HIS 32 2HD HIS 32 5.905 0.802 -2.682 237 HE1 HIS 32 1HE HIS 32 6.247 -1.280 -6.407 238 H THR 33 H THR 33 10.679 1.117 -0.723 239 HA THR 33 HA THR 33 12.729 3.016 -1.610 240 HB THR 33 HB THR 33 13.001 3.527 0.769 241 HG1 THR 33 1HG THR 33 11.679 2.527 2.260 242 HG21 THR 33 3HG2 THR 33 11.208 4.654 -0.535 243 HG22 THR 33 1HG2 THR 33 10.794 4.476 1.179 244 HG23 THR 33 2HG2 THR 33 10.058 3.399 -0.026 245 H GLY 34 H GLY 34 12.779 -0.253 -0.244 246 HA2 GLY 34 1HA GLY 34 15.592 -0.375 0.335 247 HA3 GLY 34 2HA GLY 34 14.524 -1.746 0.043 248 H GLU 35 H GLU 35 17.301 -1.298 -0.837 249 HA GLU 35 HA GLU 35 17.002 -1.962 -3.690 250 HB2 GLU 35 1HB GLU 35 18.625 -0.335 -4.457 251 HB3 GLU 35 2HB GLU 35 17.241 0.476 -3.735 252 HG2 GLU 35 1HG GLU 35 18.551 0.861 -1.648 253 HG3 GLU 35 2HG GLU 35 19.938 0.043 -2.371 254 H LYS 36 H LYS 36 19.017 -2.732 -4.670 255 HA LYS 36 HA LYS 36 21.091 -3.804 -2.828 256 HB2 LYS 36 1HB LYS 36 19.503 -5.450 -4.845 257 HB3 LYS 36 2HB LYS 36 21.018 -5.965 -4.096 258 HG2 LYS 36 1HG LYS 36 19.967 -5.785 -1.842 259 HG3 LYS 36 2HG LYS 36 18.426 -5.353 -2.613 260 HD2 LYS 36 1HD LYS 36 18.392 -7.533 -3.796 261 HD3 LYS 36 2HD LYS 36 19.967 -7.938 -3.107 262 HE2 LYS 36 1HE LYS 36 18.326 -9.105 -1.831 263 HE3 LYS 36 2HE LYS 36 18.994 -7.827 -0.814 264 HZ1 LYS 36 3HZ LYS 36 16.565 -7.952 -0.660 265 HZ2 LYS 36 1HZ LYS 36 16.396 -7.674 -2.258 266 HZ3 LYS 36 2HZ LYS 36 16.995 -6.508 -1.279 Start of MODEL 3 1 H1 GLY 1 1H GLY 1 -11.819 -11.332 -10.554 2 H2 GLY 1 2H GLY 1 -11.063 -12.570 -9.791 3 H3 GLY 1 3H GLY 1 -10.694 -11.024 -9.401 4 HA2 GLY 1 1HA GLY 1 -12.910 -10.647 -8.531 5 HA3 GLY 1 2HA GLY 1 -13.296 -12.329 -8.938 6 H SER 2 H SER 2 -13.815 -12.644 -6.700 7 HA SER 2 HA SER 2 -13.491 -13.219 -4.541 8 HB2 SER 2 1HB SER 2 -10.871 -14.350 -5.561 9 HB3 SER 2 2HB SER 2 -11.725 -14.822 -4.080 10 HG SER 2 HG SER 2 -12.186 -16.234 -5.835 11 H SER 3 H SER 3 -12.842 -10.538 -4.946 12 HA SER 3 HA SER 3 -10.942 -10.000 -2.725 13 HB2 SER 3 1HB SER 3 -9.932 -8.162 -4.019 14 HB3 SER 3 2HB SER 3 -9.641 -9.745 -4.755 15 HG SER 3 HG SER 3 -10.275 -8.160 -6.300 16 H GLY 4 H GLY 4 -11.159 -7.901 -1.753 17 HA2 GLY 4 1HA GLY 4 -13.916 -7.125 -1.342 18 HA3 GLY 4 2HA GLY 4 -12.497 -6.394 -0.602 19 H SER 5 H SER 5 -14.969 -5.232 -1.805 20 HA SER 5 HA SER 5 -13.914 -3.560 -4.026 21 HB2 SER 5 1HB SER 5 -16.297 -3.109 -4.479 22 HB3 SER 5 2HB SER 5 -15.904 -4.834 -4.514 23 HG SER 5 HG SER 5 -17.832 -4.396 -3.324 24 H SER 6 H SER 6 -13.948 -3.197 -0.783 25 HA SER 6 HA SER 6 -15.291 -0.709 -0.363 26 HB2 SER 6 1HB SER 6 -14.719 -2.384 1.396 27 HB3 SER 6 2HB SER 6 -13.019 -1.881 1.275 28 HG SER 6 HG SER 6 -14.221 -0.783 2.944 29 H GLY 7 H GLY 7 -14.476 1.358 0.076 30 HA2 GLY 7 1HA GLY 7 -12.476 2.345 -1.790 31 HA3 GLY 7 2HA GLY 7 -13.456 3.294 -0.674 32 H LYS 8 H LYS 8 -10.820 0.885 -0.529 33 HA LYS 8 HA LYS 8 -9.658 1.592 1.937 34 HB2 LYS 8 1HB LYS 8 -8.559 0.293 -0.569 35 HB3 LYS 8 2HB LYS 8 -7.567 0.510 0.869 36 HG2 LYS 8 1HG LYS 8 -9.014 -0.839 2.226 37 HG3 LYS 8 2HG LYS 8 -10.270 -0.884 0.980 38 HD2 LYS 8 1HD LYS 8 -8.794 -2.173 -0.514 39 HD3 LYS 8 2HD LYS 8 -7.487 -2.091 0.681 40 HE2 LYS 8 1HE LYS 8 -8.912 -3.313 2.317 41 HE3 LYS 8 2HE LYS 8 -10.201 -3.413 1.112 42 HZ1 LYS 8 3HZ LYS 8 -8.699 -4.720 -0.296 43 HZ2 LYS 8 1HZ LYS 8 -8.857 -5.445 1.159 44 HZ3 LYS 8 2HZ LYS 8 -7.496 -4.617 0.805 45 HA PRO 9 HA PRO 9 -8.117 5.577 0.660 46 HB2 PRO 9 1HB PRO 9 -7.254 6.576 3.044 47 HB3 PRO 9 2HB PRO 9 -8.977 6.296 2.673 48 HG2 PRO 9 1HG PRO 9 -7.078 4.518 4.203 49 HG3 PRO 9 2HG PRO 9 -8.725 4.997 4.677 50 HD2 PRO 9 1HD PRO 9 -8.168 2.599 3.448 51 HD3 PRO 9 2HD PRO 9 -9.689 3.481 3.180 52 H TYR 10 H TYR 10 -5.895 3.426 2.495 53 HA TYR 10 HA TYR 10 -3.609 5.102 1.831 54 HB2 TYR 10 1HB TYR 10 -3.702 2.395 3.196 55 HB3 TYR 10 2HB TYR 10 -2.321 3.480 3.113 56 HD1 TYR 10 2HD TYR 10 -2.476 5.777 4.242 57 HD2 TYR 10 1HD TYR 10 -5.408 2.672 4.835 58 HE1 TYR 10 2HE TYR 10 -3.295 6.935 6.289 59 HE2 TYR 10 1HE TYR 10 -6.197 3.801 6.894 60 HH TYR 10 HH TYR 10 -4.776 6.893 8.042 61 H LYS 11 H LYS 11 -3.190 5.099 -0.330 62 HA LYS 11 HA LYS 11 -2.946 2.500 -1.788 63 HB2 LYS 11 1HB LYS 11 -3.502 5.248 -2.945 64 HB3 LYS 11 2HB LYS 11 -3.424 3.713 -3.819 65 HG2 LYS 11 1HG LYS 11 -5.322 2.895 -2.301 66 HG3 LYS 11 2HG LYS 11 -5.493 4.566 -1.754 67 HD2 LYS 11 1HD LYS 11 -5.867 5.283 -4.106 68 HD3 LYS 11 2HD LYS 11 -5.752 3.588 -4.630 69 HE2 LYS 11 1HE LYS 11 -7.668 3.006 -3.155 70 HE3 LYS 11 2HE LYS 11 -7.781 4.687 -2.627 71 HZ1 LYS 11 3HZ LYS 11 -8.181 3.756 -5.424 72 HZ2 LYS 11 1HZ LYS 11 -8.283 5.311 -4.933 73 HZ3 LYS 11 2HZ LYS 11 -9.368 4.215 -4.403 74 H CYS 12 H CYS 12 -1.286 2.048 -3.140 75 HA CYS 12 HA CYS 12 1.293 3.130 -2.483 76 HB2 CYS 12 1HB CYS 12 0.961 0.799 -3.018 77 HB3 CYS 12 2HB CYS 12 0.388 1.217 -4.638 78 HA PRO 13 HA PRO 13 1.312 6.391 -5.616 79 HB2 PRO 13 1HB PRO 13 3.915 7.192 -5.451 80 HB3 PRO 13 2HB PRO 13 2.719 7.516 -4.161 81 HG2 PRO 13 1HG PRO 13 4.744 5.260 -4.296 82 HG3 PRO 13 2HG PRO 13 4.417 6.372 -2.927 83 HD2 PRO 13 1HD PRO 13 3.308 3.882 -3.098 84 HD3 PRO 13 2HD PRO 13 2.403 5.247 -2.387 85 H GLN 14 H GLN 14 2.948 3.362 -5.855 86 HA GLN 14 HA GLN 14 3.628 3.884 -8.733 87 HB2 GLN 14 1HB GLN 14 5.036 2.024 -6.785 88 HB3 GLN 14 2HB GLN 14 5.379 2.186 -8.513 89 HG2 GLN 14 1HG GLN 14 5.794 4.690 -8.051 90 HG3 GLN 14 2HG GLN 14 5.814 4.260 -6.336 91 HE21 GLN 14 1HE2 GLN 14 7.384 2.222 -5.879 92 HE22 GLN 14 2HE2 GLN 14 8.920 2.338 -6.720 93 H CYS 15 H CYS 15 1.983 1.671 -6.532 94 HA CYS 15 HA CYS 15 1.299 -0.118 -8.843 95 HB2 CYS 15 1HB CYS 15 0.859 -0.752 -5.926 96 HB3 CYS 15 2HB CYS 15 0.895 -1.859 -7.294 97 H SER 16 H SER 16 -0.855 -1.251 -8.553 98 HA SER 16 HA SER 16 -3.103 0.592 -8.089 99 HB2 SER 16 1HB SER 16 -4.459 -1.371 -8.796 100 HB3 SER 16 2HB SER 16 -3.221 -0.912 -9.976 101 HG SER 16 HG SER 16 -3.273 -3.186 -9.605 102 H TYR 17 H TYR 17 -1.147 -1.009 -6.010 103 HA TYR 17 HA TYR 17 -2.791 -2.505 -4.266 104 HB2 TYR 17 1HB TYR 17 -0.367 -2.671 -4.293 105 HB3 TYR 17 2HB TYR 17 -0.204 -0.991 -3.821 106 HD1 TYR 17 2HD TYR 17 -1.018 -4.391 -2.652 107 HD2 TYR 17 1HD TYR 17 -0.602 -0.247 -1.498 108 HE1 TYR 17 2HE TYR 17 -0.947 -5.053 -0.247 109 HE2 TYR 17 1HE TYR 17 -0.536 -0.910 0.880 110 HH TYR 17 HH TYR 17 -0.478 -2.660 2.363 111 H ALA 18 H ALA 18 -4.042 -2.036 -2.568 112 HA ALA 18 HA ALA 18 -3.965 0.601 -1.284 113 HB1 ALA 18 1HB ALA 18 -6.560 -0.625 -2.307 114 HB2 ALA 18 2HB ALA 18 -6.374 0.908 -1.419 115 HB3 ALA 18 3HB ALA 18 -5.716 0.746 -3.059 116 H SER 19 H SER 19 -4.555 0.580 0.880 117 HA SER 19 HA SER 19 -5.671 -1.906 2.065 118 HB2 SER 19 1HB SER 19 -3.110 -1.874 2.220 119 HB3 SER 19 2HB SER 19 -3.312 -0.542 3.374 120 HG SER 19 HG SER 19 -4.302 -3.216 3.506 121 H ALA 20 H ALA 20 -6.381 -1.640 4.290 122 HA ALA 20 HA ALA 20 -7.779 0.933 4.722 123 HB1 ALA 20 1HB ALA 20 -9.108 -0.365 6.320 124 HB2 ALA 20 2HB ALA 20 -9.048 -1.185 4.750 125 HB3 ALA 20 3HB ALA 20 -8.043 -1.770 6.099 126 H ILE 21 H ILE 21 -4.805 -0.270 5.618 127 HA ILE 21 HA ILE 21 -4.700 1.310 8.157 128 HB ILE 21 HB ILE 21 -3.522 -1.433 7.606 129 HG12 ILE 21 1HG1 ILE 21 -5.622 -0.556 9.638 130 HG13 ILE 21 2HG1 ILE 21 -5.933 -1.485 8.172 131 HG21 ILE 21 1HG2 ILE 21 -1.917 -0.116 8.896 132 HG22 ILE 21 2HG2 ILE 21 -3.180 0.322 10.075 133 HG23 ILE 21 3HG2 ILE 21 -2.605 -1.352 9.904 134 HD11 ILE 21 3HD1 ILE 21 -5.944 -3.037 9.953 135 HD12 ILE 21 1HD1 ILE 21 -4.436 -3.308 9.056 136 HD13 ILE 21 2HD1 ILE 21 -4.418 -2.441 10.613 137 H LYS 22 H LYS 22 -3.042 2.721 8.270 138 HA LYS 22 HA LYS 22 -1.432 3.349 6.015 139 HB2 LYS 22 1HB LYS 22 -2.157 4.862 7.924 140 HB3 LYS 22 2HB LYS 22 -0.896 4.130 8.915 141 HG2 LYS 22 1HG LYS 22 0.828 4.906 7.305 142 HG3 LYS 22 2HG LYS 22 -0.442 5.571 6.258 143 HD2 LYS 22 1HD LYS 22 -1.124 7.121 8.077 144 HD3 LYS 22 2HD LYS 22 0.150 6.453 9.121 145 HE2 LYS 22 1HE LYS 22 1.867 7.158 7.464 146 HE3 LYS 22 2HE LYS 22 0.598 7.825 6.429 147 HZ1 LYS 22 3HZ LYS 22 1.221 8.769 9.180 148 HZ2 LYS 22 1HZ LYS 22 0.049 9.386 8.224 149 HZ3 LYS 22 2HZ LYS 22 1.616 9.550 7.804 150 H ALA 23 H ALA 23 -0.584 1.485 8.924 151 HA ALA 23 HA ALA 23 2.172 1.137 8.353 152 HB1 ALA 23 1HB ALA 23 1.136 0.767 10.548 153 HB2 ALA 23 2HB ALA 23 0.277 -0.661 9.907 154 HB3 ALA 23 3HB ALA 23 2.052 -0.654 10.009 155 H ASN 24 H ASN 24 -0.646 -0.691 7.109 156 HA ASN 24 HA ASN 24 0.890 -2.856 5.953 157 HB2 ASN 24 1HB ASN 24 -1.841 -1.676 5.283 158 HB3 ASN 24 2HB ASN 24 -1.175 -3.098 4.508 159 HD21 ASN 24 1HD2 ASN 24 -3.533 -3.394 5.600 160 HD22 ASN 24 2HD2 ASN 24 -3.411 -4.383 7.060 161 H LEU 25 H LEU 25 -0.131 0.362 4.703 162 HA LEU 25 HA LEU 25 1.136 0.021 2.133 163 HB2 LEU 25 1HB LEU 25 -0.661 1.632 2.465 164 HB3 LEU 25 2HB LEU 25 0.283 2.498 3.681 165 HG LEU 25 HG LEU 25 1.960 3.127 1.974 166 HD11 LEU 25 1HD1 LEU 25 0.090 1.720 0.017 167 HD12 LEU 25 2HD1 LEU 25 1.753 1.231 0.411 168 HD13 LEU 25 3HD1 LEU 25 1.477 2.754 -0.417 169 HD21 LEU 25 3HD2 LEU 25 0.031 4.597 2.419 170 HD22 LEU 25 1HD2 LEU 25 -0.868 3.782 1.119 171 HD23 LEU 25 2HD2 LEU 25 0.593 4.713 0.743 172 H ASN 26 H ASN 26 2.246 1.408 5.257 173 HA ASN 26 HA ASN 26 4.801 2.289 4.438 174 HB2 ASN 26 1HB ASN 26 3.641 2.691 6.616 175 HB3 ASN 26 2HB ASN 26 4.010 1.036 7.091 176 HD21 ASN 26 1HD2 ASN 26 4.821 3.754 8.188 177 HD22 ASN 26 2HD2 ASN 26 6.566 3.614 8.316 178 H VAL 27 H VAL 27 3.909 -1.026 5.614 179 HA VAL 27 HA VAL 27 6.471 -2.207 5.091 180 HB VAL 27 HB VAL 27 3.690 -3.408 5.235 181 HG11 VAL 27 1HG1 VAL 27 5.037 -4.994 3.947 182 HG12 VAL 27 2HG1 VAL 27 6.373 -4.855 5.116 183 HG13 VAL 27 3HG1 VAL 27 4.830 -5.603 5.587 184 HG21 VAL 27 3HG2 VAL 27 4.607 -2.408 7.340 185 HG22 VAL 27 1HG2 VAL 27 4.447 -4.163 7.455 186 HG23 VAL 27 2HG2 VAL 27 6.045 -3.432 7.181 187 H HIS 28 H HIS 28 3.610 -1.838 2.932 188 HA HIS 28 HA HIS 28 4.738 -3.290 0.763 189 HB2 HIS 28 1HB HIS 28 2.368 -2.714 0.917 190 HB3 HIS 28 2HB HIS 28 2.735 -0.999 0.797 191 HD1 HIS 28 1HD HIS 28 2.506 -4.114 -1.416 192 HD2 HIS 28 2HD HIS 28 3.357 -0.005 -1.606 193 HE1 HIS 28 1HE HIS 28 2.602 -3.543 -3.889 194 H LEU 29 H LEU 29 5.034 0.175 1.619 195 HA LEU 29 HA LEU 29 6.642 0.928 -0.667 196 HB2 LEU 29 1HB LEU 29 6.354 2.115 2.088 197 HB3 LEU 29 2HB LEU 29 7.256 2.892 0.793 198 HG LEU 29 HG LEU 29 4.356 2.164 0.416 199 HD11 LEU 29 1HD1 LEU 29 4.586 3.474 2.487 200 HD12 LEU 29 2HD1 LEU 29 3.926 4.538 1.220 201 HD13 LEU 29 3HD1 LEU 29 5.657 4.625 1.675 202 HD21 LEU 29 3HD2 LEU 29 6.181 4.255 -0.846 203 HD22 LEU 29 1HD2 LEU 29 4.432 4.117 -1.129 204 HD23 LEU 29 2HD2 LEU 29 5.503 2.815 -1.634 205 H ARG 30 H ARG 30 7.506 -0.467 2.502 206 HA ARG 30 HA ARG 30 10.249 0.194 2.391 207 HB2 ARG 30 1HB ARG 30 8.864 -2.236 3.604 208 HB3 ARG 30 2HB ARG 30 10.597 -1.970 3.776 209 HG2 ARG 30 1HG ARG 30 10.291 0.082 4.990 210 HG3 ARG 30 2HG ARG 30 8.570 0.108 4.642 211 HD2 ARG 30 1HD ARG 30 8.488 -2.201 5.875 212 HD3 ARG 30 2HD ARG 30 10.090 -1.746 6.487 213 HE ARG 30 HE ARG 30 8.040 0.331 6.809 214 HH11 ARG 30 2HH1 ARG 30 9.293 -2.539 8.407 215 HH12 ARG 30 1HH1 ARG 30 8.651 -2.046 9.950 216 HH21 ARG 30 2HH2 ARG 30 7.304 0.886 8.729 217 HH22 ARG 30 1HH2 ARG 30 7.542 -0.123 10.140 218 H LYS 31 H LYS 31 8.470 -2.094 0.509 219 HA LYS 31 HA LYS 31 10.765 -3.526 -0.642 220 HB2 LYS 31 1HB LYS 31 7.898 -3.283 -1.647 221 HB3 LYS 31 2HB LYS 31 9.120 -4.410 -2.228 222 HG2 LYS 31 1HG LYS 31 9.206 -5.534 -0.054 223 HG3 LYS 31 2HG LYS 31 8.052 -4.379 0.637 224 HD2 LYS 31 1HD LYS 31 6.327 -5.083 -0.965 225 HD3 LYS 31 2HD LYS 31 7.430 -6.274 -1.671 226 HE2 LYS 31 1HE LYS 31 6.529 -6.224 1.251 227 HE3 LYS 31 2HE LYS 31 5.756 -7.187 -0.011 228 HZ1 LYS 31 3HZ LYS 31 7.355 -8.518 1.204 229 HZ2 LYS 31 1HZ LYS 31 8.579 -7.497 0.863 230 HZ3 LYS 31 2HZ LYS 31 7.870 -8.358 -0.333 231 H HIS 32 H HIS 32 8.800 -0.646 -1.504 232 HA HIS 32 HA HIS 32 10.160 -0.234 -4.029 233 HB2 HIS 32 1HB HIS 32 8.394 1.533 -2.316 234 HB3 HIS 32 2HB HIS 32 9.030 2.008 -3.892 235 HD1 HIS 32 1HD HIS 32 8.567 -0.608 -5.574 236 HD2 HIS 32 2HD HIS 32 5.876 1.011 -2.760 237 HE1 HIS 32 1HE HIS 32 6.268 -1.441 -6.252 238 H THR 33 H THR 33 10.805 0.983 -0.720 239 HA THR 33 HA THR 33 13.092 2.572 -1.655 240 HB THR 33 HB THR 33 13.702 2.744 0.713 241 HG1 THR 33 1HG THR 33 12.389 1.831 2.254 242 HG21 THR 33 3HG2 THR 33 10.723 3.237 0.270 243 HG22 THR 33 1HG2 THR 33 12.032 4.316 -0.262 244 HG23 THR 33 2HG2 THR 33 11.771 4.028 1.467 245 H GLY 34 H GLY 34 12.632 -0.765 -0.582 246 HA2 GLY 34 1HA GLY 34 15.436 -1.395 -0.317 247 HA3 GLY 34 2HA GLY 34 14.073 -2.508 -0.283 248 H GLU 35 H GLU 35 13.292 -1.532 -3.138 249 HA GLU 35 HA GLU 35 14.770 -3.595 -4.486 250 HB2 GLU 35 1HB GLU 35 13.326 -3.248 -6.344 251 HB3 GLU 35 2HB GLU 35 12.389 -3.230 -4.861 252 HG2 GLU 35 1HG GLU 35 12.251 -0.770 -4.949 253 HG3 GLU 35 2HG GLU 35 13.257 -0.734 -6.394 254 H LYS 36 H LYS 36 15.924 -0.649 -3.918 255 HA LYS 36 HA LYS 36 17.705 -0.637 -6.301 256 HB2 LYS 36 1HB LYS 36 17.615 1.764 -6.481 257 HB3 LYS 36 2HB LYS 36 16.018 1.060 -6.731 258 HG2 LYS 36 1HG LYS 36 15.373 1.681 -4.402 259 HG3 LYS 36 2HG LYS 36 16.963 2.414 -4.155 260 HD2 LYS 36 1HD LYS 36 14.927 3.293 -6.247 261 HD3 LYS 36 2HD LYS 36 15.177 4.060 -4.672 262 HE2 LYS 36 1HE LYS 36 17.543 4.552 -5.290 263 HE3 LYS 36 2HE LYS 36 17.272 3.832 -6.882 264 HZ1 LYS 36 3HZ LYS 36 15.842 6.214 -5.829 265 HZ2 LYS 36 1HZ LYS 36 15.589 5.544 -7.299 266 HZ3 LYS 36 2HZ LYS 36 17.023 6.240 -6.954 Start of MODEL 4 1 H1 GLY 1 1H GLY 1 -15.368 -1.889 -1.670 2 H2 GLY 1 2H GLY 1 -16.695 -0.949 -1.462 3 H3 GLY 1 3H GLY 1 -15.203 -0.291 -1.318 4 HA2 GLY 1 1HA GLY 1 -14.756 -0.742 -3.670 5 HA3 GLY 1 2HA GLY 1 -16.415 -1.360 -3.788 6 H SER 2 H SER 2 -17.035 0.206 -5.320 7 HA SER 2 HA SER 2 -16.793 3.078 -4.652 8 HB2 SER 2 1HB SER 2 -17.444 3.389 -7.012 9 HB3 SER 2 2HB SER 2 -16.019 2.352 -6.819 10 HG SER 2 HG SER 2 -17.545 1.478 -8.314 11 H SER 3 H SER 3 -19.285 0.654 -4.649 12 HA SER 3 HA SER 3 -21.397 2.722 -4.174 13 HB2 SER 3 1HB SER 3 -21.689 0.213 -5.873 14 HB3 SER 3 2HB SER 3 -22.998 1.310 -5.406 15 HG SER 3 HG SER 3 -20.724 1.921 -7.016 16 H GLY 4 H GLY 4 -22.811 2.290 -2.553 17 HA2 GLY 4 1HA GLY 4 -23.740 1.329 -0.691 18 HA3 GLY 4 2HA GLY 4 -23.412 -0.248 -1.411 19 H SER 5 H SER 5 -20.531 1.511 -1.016 20 HA SER 5 HA SER 5 -19.792 0.605 1.668 21 HB2 SER 5 1HB SER 5 -18.041 -0.939 0.838 22 HB3 SER 5 2HB SER 5 -19.664 -1.507 0.436 23 HG SER 5 HG SER 5 -19.397 -0.773 -1.667 24 H SER 6 H SER 6 -17.415 1.021 2.066 25 HA SER 6 HA SER 6 -16.576 3.576 0.842 26 HB2 SER 6 1HB SER 6 -14.972 3.634 2.734 27 HB3 SER 6 2HB SER 6 -16.669 3.544 3.229 28 HG SER 6 HG SER 6 -15.342 2.091 4.419 29 H GLY 7 H GLY 7 -14.385 3.975 0.245 30 HA2 GLY 7 1HA GLY 7 -12.974 1.711 -1.073 31 HA3 GLY 7 2HA GLY 7 -12.681 3.426 -1.330 32 H LYS 8 H LYS 8 -10.667 1.498 -0.841 33 HA LYS 8 HA LYS 8 -9.659 1.802 1.901 34 HB2 LYS 8 1HB LYS 8 -8.587 0.530 -0.627 35 HB3 LYS 8 2HB LYS 8 -7.592 0.708 0.815 36 HG2 LYS 8 1HG LYS 8 -9.076 -0.623 2.156 37 HG3 LYS 8 2HG LYS 8 -10.318 -0.637 0.896 38 HD2 LYS 8 1HD LYS 8 -8.835 -1.936 -0.593 39 HD3 LYS 8 2HD LYS 8 -7.556 -1.901 0.635 40 HE2 LYS 8 1HE LYS 8 -9.033 -3.117 2.217 41 HE3 LYS 8 2HE LYS 8 -10.318 -3.144 1.004 42 HZ1 LYS 8 3HZ LYS 8 -7.661 -4.445 0.682 43 HZ2 LYS 8 1HZ LYS 8 -8.866 -4.481 -0.422 44 HZ3 LYS 8 2HZ LYS 8 -9.055 -5.224 1.016 45 HA PRO 9 HA PRO 9 -8.031 5.784 0.709 46 HB2 PRO 9 1HB PRO 9 -7.138 6.711 3.110 47 HB3 PRO 9 2HB PRO 9 -8.867 6.489 2.734 48 HG2 PRO 9 1HG PRO 9 -7.028 4.631 4.237 49 HG3 PRO 9 2HG PRO 9 -8.666 5.146 4.709 50 HD2 PRO 9 1HD PRO 9 -8.149 2.753 3.434 51 HD3 PRO 9 2HD PRO 9 -9.655 3.667 3.198 52 H TYR 10 H TYR 10 -5.874 3.537 2.508 53 HA TYR 10 HA TYR 10 -3.537 5.146 1.855 54 HB2 TYR 10 1HB TYR 10 -3.715 2.429 3.198 55 HB3 TYR 10 2HB TYR 10 -2.303 3.471 3.134 56 HD1 TYR 10 2HD TYR 10 -2.408 5.776 4.269 57 HD2 TYR 10 1HD TYR 10 -5.400 2.725 4.848 58 HE1 TYR 10 2HE TYR 10 -3.202 6.938 6.322 59 HE2 TYR 10 1HE TYR 10 -6.163 3.857 6.916 60 HH TYR 10 HH TYR 10 -4.682 6.916 8.077 61 H LYS 11 H LYS 11 -3.056 5.135 -0.300 62 HA LYS 11 HA LYS 11 -2.894 2.525 -1.759 63 HB2 LYS 11 1HB LYS 11 -3.402 5.280 -2.926 64 HB3 LYS 11 2HB LYS 11 -3.352 3.739 -3.794 65 HG2 LYS 11 1HG LYS 11 -5.269 2.964 -2.278 66 HG3 LYS 11 2HG LYS 11 -5.408 4.641 -1.737 67 HD2 LYS 11 1HD LYS 11 -5.750 5.355 -4.097 68 HD3 LYS 11 2HD LYS 11 -5.677 3.655 -4.610 69 HE2 LYS 11 1HE LYS 11 -7.617 3.133 -3.146 70 HE3 LYS 11 2HE LYS 11 -7.686 4.818 -2.626 71 HZ1 LYS 11 3HZ LYS 11 -9.274 4.384 -4.410 72 HZ2 LYS 11 1HZ LYS 11 -8.094 3.886 -5.422 73 HZ3 LYS 11 2HZ LYS 11 -8.155 5.447 -4.938 74 H CYS 12 H CYS 12 -1.255 2.055 -3.138 75 HA CYS 12 HA CYS 12 1.349 3.100 -2.489 76 HB2 CYS 12 1HB CYS 12 0.954 0.769 -2.965 77 HB3 CYS 12 2HB CYS 12 0.396 1.161 -4.601 78 HA PRO 13 HA PRO 13 1.437 6.230 -5.788 79 HB2 PRO 13 1HB PRO 13 4.057 6.987 -5.628 80 HB3 PRO 13 2HB PRO 13 2.843 7.421 -4.392 81 HG2 PRO 13 1HG PRO 13 4.858 5.173 -4.300 82 HG3 PRO 13 2HG PRO 13 4.451 6.353 -3.019 83 HD2 PRO 13 1HD PRO 13 3.381 3.821 -3.145 84 HD3 PRO 13 2HD PRO 13 2.478 5.204 -2.463 85 H GLN 14 H GLN 14 3.078 3.189 -5.776 86 HA GLN 14 HA GLN 14 4.064 3.540 -8.582 87 HB2 GLN 14 1HB GLN 14 4.855 1.363 -6.647 88 HB3 GLN 14 2HB GLN 14 5.640 1.804 -8.149 89 HG2 GLN 14 1HG GLN 14 5.592 3.460 -5.584 90 HG3 GLN 14 2HG GLN 14 6.920 2.470 -6.149 91 HE21 GLN 14 1HE2 GLN 14 7.602 4.981 -5.581 92 HE22 GLN 14 2HE2 GLN 14 7.829 5.913 -7.056 93 H CYS 15 H CYS 15 1.980 1.557 -6.545 94 HA CYS 15 HA CYS 15 1.303 -0.225 -8.860 95 HB2 CYS 15 1HB CYS 15 0.853 -0.873 -5.945 96 HB3 CYS 15 2HB CYS 15 0.909 -1.976 -7.317 97 H SER 16 H SER 16 -0.866 -1.317 -8.594 98 HA SER 16 HA SER 16 -3.080 0.539 -8.057 99 HB2 SER 16 1HB SER 16 -3.128 -2.414 -8.779 100 HB3 SER 16 2HB SER 16 -4.509 -1.301 -8.788 101 HG SER 16 HG SER 16 -3.593 -1.576 -10.882 102 H TYR 17 H TYR 17 -1.146 -1.021 -5.958 103 HA TYR 17 HA TYR 17 -2.817 -2.515 -4.214 104 HB2 TYR 17 1HB TYR 17 -0.405 -2.730 -4.205 105 HB3 TYR 17 2HB TYR 17 -0.204 -1.040 -3.783 106 HD1 TYR 17 1HD TYR 17 -0.646 -0.211 -1.473 107 HD2 TYR 17 2HD TYR 17 -1.035 -4.389 -2.513 108 HE1 TYR 17 1HE TYR 17 -0.658 -0.809 0.930 109 HE2 TYR 17 2HE TYR 17 -1.023 -4.981 -0.096 110 HH TYR 17 HH TYR 17 -0.897 -4.210 2.044 111 H ALA 18 H ALA 18 -4.080 -2.011 -2.542 112 HA ALA 18 HA ALA 18 -3.953 0.623 -1.262 113 HB1 ALA 18 1HB ALA 18 -6.577 -0.536 -2.294 114 HB2 ALA 18 2HB ALA 18 -6.352 0.993 -1.407 115 HB3 ALA 18 3HB ALA 18 -5.696 0.813 -3.045 116 H SER 19 H SER 19 -4.602 0.625 0.893 117 HA SER 19 HA SER 19 -5.740 -1.849 2.083 118 HB2 SER 19 1HB SER 19 -3.186 -1.848 2.273 119 HB3 SER 19 2HB SER 19 -3.372 -0.478 3.383 120 HG SER 19 HG SER 19 -4.424 -3.125 3.602 121 H ALA 20 H ALA 20 -6.522 -1.561 4.266 122 HA ALA 20 HA ALA 20 -7.821 1.061 4.708 123 HB1 ALA 20 1HB ALA 20 -8.189 -1.635 6.072 124 HB2 ALA 20 2HB ALA 20 -9.199 -0.192 6.301 125 HB3 ALA 20 3HB ALA 20 -9.171 -1.006 4.727 126 H ILE 21 H ILE 21 -4.888 -0.244 5.575 127 HA ILE 21 HA ILE 21 -4.729 1.277 8.148 128 HB ILE 21 HB ILE 21 -3.590 -1.470 7.527 129 HG12 ILE 21 1HG1 ILE 21 -5.762 -0.638 9.505 130 HG13 ILE 21 2HG1 ILE 21 -6.012 -1.549 8.016 131 HG21 ILE 21 1HG2 ILE 21 -3.337 0.185 10.078 132 HG22 ILE 21 2HG2 ILE 21 -2.732 -1.472 9.840 133 HG23 ILE 21 3HG2 ILE 21 -2.035 -0.173 8.916 134 HD11 ILE 21 3HD1 ILE 21 -6.095 -3.119 9.781 135 HD12 ILE 21 1HD1 ILE 21 -4.554 -3.383 8.936 136 HD13 ILE 21 2HD1 ILE 21 -4.592 -2.533 10.503 137 H LYS 22 H LYS 22 -3.047 2.653 8.276 138 HA LYS 22 HA LYS 22 -1.370 3.232 6.044 139 HB2 LYS 22 1HB LYS 22 -2.120 4.787 7.911 140 HB3 LYS 22 2HB LYS 22 -0.901 4.043 8.948 141 HG2 LYS 22 1HG LYS 22 0.881 4.757 7.370 142 HG3 LYS 22 2HG LYS 22 -0.346 5.437 6.284 143 HD2 LYS 22 1HD LYS 22 -1.034 7.029 8.062 144 HD3 LYS 22 2HD LYS 22 0.194 6.343 9.148 145 HE2 LYS 22 1HE LYS 22 1.972 6.979 7.529 146 HE3 LYS 22 2HE LYS 22 0.749 7.666 6.452 147 HZ1 LYS 22 3HZ LYS 22 1.777 9.381 7.832 148 HZ2 LYS 22 1HZ LYS 22 1.326 8.629 9.206 149 HZ3 LYS 22 2HZ LYS 22 0.195 9.265 8.211 150 H ALA 23 H ALA 23 -0.662 1.394 9.000 151 HA ALA 23 HA ALA 23 2.094 0.971 8.665 152 HB1 ALA 23 1HB ALA 23 0.781 0.450 10.698 153 HB2 ALA 23 2HB ALA 23 0.024 -0.921 9.847 154 HB3 ALA 23 3HB ALA 23 1.766 -0.928 10.169 155 H ASN 24 H ASN 24 -0.622 -0.842 7.194 156 HA ASN 24 HA ASN 24 0.936 -2.946 6.009 157 HB2 ASN 24 1HB ASN 24 -1.776 -1.732 5.306 158 HB3 ASN 24 2HB ASN 24 -1.112 -3.150 4.529 159 HD21 ASN 24 1HD2 ASN 24 -3.509 -3.387 5.605 160 HD22 ASN 24 2HD2 ASN 24 -3.416 -4.419 7.037 161 H LEU 25 H LEU 25 -0.172 0.233 4.718 162 HA LEU 25 HA LEU 25 1.110 -0.056 2.168 163 HB2 LEU 25 1HB LEU 25 -0.676 1.570 2.549 164 HB3 LEU 25 2HB LEU 25 0.305 2.419 3.749 165 HG LEU 25 HG LEU 25 1.956 3.025 2.000 166 HD11 LEU 25 1HD1 LEU 25 1.387 2.691 -0.384 167 HD12 LEU 25 2HD1 LEU 25 -0.002 1.679 0.089 168 HD13 LEU 25 3HD1 LEU 25 1.664 1.154 0.422 169 HD21 LEU 25 3HD2 LEU 25 0.609 4.653 0.818 170 HD22 LEU 25 1HD2 LEU 25 0.072 4.536 2.504 171 HD23 LEU 25 2HD2 LEU 25 -0.867 3.756 1.210 172 H ASN 26 H ASN 26 2.261 1.290 5.294 173 HA ASN 26 HA ASN 26 4.827 2.135 4.457 174 HB2 ASN 26 1HB ASN 26 4.573 2.802 6.570 175 HB3 ASN 26 2HB ASN 26 3.453 1.536 6.982 176 HD21 ASN 26 1HD2 ASN 26 4.223 -0.413 7.916 177 HD22 ASN 26 2HD2 ASN 26 5.843 -0.485 8.597 178 H VAL 27 H VAL 27 3.925 -1.180 5.588 179 HA VAL 27 HA VAL 27 6.513 -2.311 5.036 180 HB VAL 27 HB VAL 27 3.761 -3.609 5.168 181 HG11 VAL 27 1HG1 VAL 27 5.207 -5.134 3.917 182 HG12 VAL 27 2HG1 VAL 27 6.504 -4.935 5.120 183 HG13 VAL 27 3HG1 VAL 27 4.983 -5.750 5.552 184 HG21 VAL 27 3HG2 VAL 27 4.503 -2.613 7.292 185 HG22 VAL 27 1HG2 VAL 27 4.544 -4.370 7.395 186 HG23 VAL 27 2HG2 VAL 27 6.058 -3.462 7.167 187 H HIS 28 H HIS 28 3.627 -1.957 2.929 188 HA HIS 28 HA HIS 28 4.734 -3.371 0.718 189 HB2 HIS 28 1HB HIS 28 2.351 -2.829 0.951 190 HB3 HIS 28 2HB HIS 28 2.697 -1.110 0.806 191 HD1 HIS 28 1HD HIS 28 2.479 -4.254 -1.373 192 HD2 HIS 28 2HD HIS 28 3.264 -0.134 -1.607 193 HE1 HIS 28 1HE HIS 28 2.543 -3.706 -3.853 194 H LEU 29 H LEU 29 4.990 0.087 1.622 195 HA LEU 29 HA LEU 29 6.544 0.897 -0.682 196 HB2 LEU 29 1HB LEU 29 6.255 2.053 2.092 197 HB3 LEU 29 2HB LEU 29 7.173 2.845 0.812 198 HG LEU 29 HG LEU 29 4.293 2.095 0.385 199 HD11 LEU 29 1HD1 LEU 29 3.829 4.471 1.173 200 HD12 LEU 29 2HD1 LEU 29 5.557 4.583 1.633 201 HD13 LEU 29 3HD1 LEU 29 4.497 3.429 2.455 202 HD21 LEU 29 3HD2 LEU 29 4.364 4.071 -1.135 203 HD22 LEU 29 1HD2 LEU 29 5.424 2.764 -1.657 204 HD23 LEU 29 2HD2 LEU 29 6.110 4.201 -0.859 205 H ARG 30 H ARG 30 7.491 -0.478 2.465 206 HA ARG 30 HA ARG 30 10.206 0.232 2.331 207 HB2 ARG 30 1HB ARG 30 8.860 -2.230 3.524 208 HB3 ARG 30 2HB ARG 30 10.600 -1.973 3.665 209 HG2 ARG 30 1HG ARG 30 10.312 0.087 4.873 210 HG3 ARG 30 2HG ARG 30 8.587 0.099 4.594 211 HD2 ARG 30 1HD ARG 30 8.459 -2.095 5.900 212 HD3 ARG 30 2HD ARG 30 10.163 -1.847 6.306 213 HE ARG 30 HE ARG 30 8.140 0.287 6.900 214 HH11 ARG 30 2HH1 ARG 30 10.384 -2.031 8.298 215 HH12 ARG 30 1HH1 ARG 30 10.247 -1.306 9.877 216 HH21 ARG 30 2HH2 ARG 30 8.014 1.117 8.841 217 HH22 ARG 30 1HH2 ARG 30 8.931 0.465 10.186 218 H LYS 31 H LYS 31 8.494 -2.023 0.383 219 HA LYS 31 HA LYS 31 10.827 -3.398 -0.773 220 HB2 LYS 31 1HB LYS 31 7.916 -3.337 -1.676 221 HB3 LYS 31 2HB LYS 31 9.172 -4.422 -2.267 222 HG2 LYS 31 1HG LYS 31 9.403 -5.436 -0.031 223 HG3 LYS 31 2HG LYS 31 8.158 -4.349 0.614 224 HD2 LYS 31 1HD LYS 31 6.509 -5.265 -0.989 225 HD3 LYS 31 2HD LYS 31 7.714 -6.414 -1.588 226 HE2 LYS 31 1HE LYS 31 6.739 -6.234 1.304 227 HE3 LYS 31 2HE LYS 31 6.077 -7.341 0.098 228 HZ1 LYS 31 3HZ LYS 31 8.892 -7.362 1.051 229 HZ2 LYS 31 1HZ LYS 31 8.286 -8.360 -0.096 230 HZ3 LYS 31 2HZ LYS 31 7.744 -8.453 1.439 231 H HIS 32 H HIS 32 8.948 -0.473 -1.470 232 HA HIS 32 HA HIS 32 10.212 -0.126 -4.118 233 HB2 HIS 32 1HB HIS 32 8.340 1.604 -2.463 234 HB3 HIS 32 2HB HIS 32 8.917 2.005 -4.083 235 HD1 HIS 32 1HD HIS 32 8.451 -0.559 -5.713 236 HD2 HIS 32 2HD HIS 32 5.867 0.859 -2.714 237 HE1 HIS 32 1HE HIS 32 6.196 -1.599 -6.205 238 H THR 33 H THR 33 10.651 1.154 -0.792 239 HA THR 33 HA THR 33 12.595 3.156 -1.655 240 HB THR 33 HB THR 33 12.971 3.529 0.744 241 HG1 THR 33 1HG THR 33 11.765 2.390 2.225 242 HG21 THR 33 3HG2 THR 33 11.095 4.680 -0.403 243 HG22 THR 33 1HG2 THR 33 10.750 4.370 1.307 244 HG23 THR 33 2HG2 THR 33 10.003 3.355 0.055 245 H GLY 34 H GLY 34 12.851 -0.175 -0.478 246 HA2 GLY 34 1HA GLY 34 15.712 -0.196 -0.089 247 HA3 GLY 34 2HA GLY 34 14.679 -1.599 -0.352 248 H GLU 35 H GLU 35 17.351 -0.445 -1.513 249 HA GLU 35 HA GLU 35 16.711 -0.603 -4.420 250 HB2 GLU 35 1HB GLU 35 18.693 0.691 -4.806 251 HB3 GLU 35 2HB GLU 35 17.646 1.498 -3.644 252 HG2 GLU 35 1HG GLU 35 19.098 0.707 -1.779 253 HG3 GLU 35 2HG GLU 35 20.144 -0.104 -2.943 254 H LYS 36 H LYS 36 17.714 -2.723 -2.214 255 HA LYS 36 HA LYS 36 19.162 -4.427 -4.178 256 HB2 LYS 36 1HB LYS 36 20.071 -3.905 -1.314 257 HB3 LYS 36 2HB LYS 36 20.641 -5.242 -2.320 258 HG2 LYS 36 1HG LYS 36 21.507 -3.621 -3.998 259 HG3 LYS 36 2HG LYS 36 20.994 -2.282 -2.955 260 HD2 LYS 36 1HD LYS 36 22.484 -3.106 -1.152 261 HD3 LYS 36 2HD LYS 36 23.017 -4.435 -2.206 262 HE2 LYS 36 1HE LYS 36 23.847 -2.781 -3.866 263 HE3 LYS 36 2HE LYS 36 23.315 -1.459 -2.820 264 HZ1 LYS 36 3HZ LYS 36 25.382 -3.470 -2.101 265 HZ2 LYS 36 1HZ LYS 36 24.891 -2.248 -1.133 266 HZ3 LYS 36 2HZ LYS 36 25.679 -1.923 -2.524 Start of MODEL 5 1 H1 GLY 1 1H GLY 1 -18.051 12.702 2.825 2 H2 GLY 1 2H GLY 1 -18.844 11.319 3.208 3 H3 GLY 1 3H GLY 1 -19.142 12.070 1.781 4 HA2 GLY 1 1HA GLY 1 -16.585 10.817 2.546 5 HA3 GLY 1 2HA GLY 1 -17.772 10.117 1.430 6 H SER 2 H SER 2 -14.956 10.855 0.953 7 HA SER 2 HA SER 2 -14.787 13.255 -0.612 8 HB2 SER 2 1HB SER 2 -12.996 10.797 -0.618 9 HB3 SER 2 2HB SER 2 -12.595 12.389 -1.292 10 HG SER 2 HG SER 2 -11.762 12.111 0.837 11 H SER 3 H SER 3 -14.658 13.589 -2.820 12 HA SER 3 HA SER 3 -15.962 11.565 -4.571 13 HB2 SER 3 1HB SER 3 -15.398 14.508 -5.049 14 HB3 SER 3 2HB SER 3 -16.328 13.426 -6.104 15 HG SER 3 HG SER 3 -17.679 14.662 -4.709 16 H GLY 4 H GLY 4 -12.836 13.187 -4.217 17 HA2 GLY 4 1HA GLY 4 -11.868 12.558 -6.886 18 HA3 GLY 4 2HA GLY 4 -10.942 13.212 -5.537 19 H SER 5 H SER 5 -12.004 10.706 -3.975 20 HA SER 5 HA SER 5 -10.609 8.432 -5.197 21 HB2 SER 5 1HB SER 5 -9.624 9.762 -2.640 22 HB3 SER 5 2HB SER 5 -9.323 8.053 -2.997 23 HG SER 5 HG SER 5 -8.664 10.113 -4.836 24 H SER 6 H SER 6 -11.156 6.439 -4.204 25 HA SER 6 HA SER 6 -13.208 6.412 -2.065 26 HB2 SER 6 1HB SER 6 -14.333 6.697 -4.323 27 HB3 SER 6 2HB SER 6 -13.707 5.095 -4.758 28 HG SER 6 HG SER 6 -15.856 5.060 -3.866 29 H GLY 7 H GLY 7 -13.875 4.069 -1.638 30 HA2 GLY 7 1HA GLY 7 -13.326 1.947 -0.891 31 HA3 GLY 7 2HA GLY 7 -12.068 1.897 -2.123 32 H LYS 8 H LYS 8 -10.555 0.910 -0.838 33 HA LYS 8 HA LYS 8 -9.712 1.610 1.789 34 HB2 LYS 8 1HB LYS 8 -8.423 0.173 -0.548 35 HB3 LYS 8 2HB LYS 8 -7.551 0.420 0.964 36 HG2 LYS 8 1HG LYS 8 -9.189 -0.801 2.239 37 HG3 LYS 8 2HG LYS 8 -10.305 -0.867 0.867 38 HD2 LYS 8 1HD LYS 8 -8.732 -2.314 -0.382 39 HD3 LYS 8 2HD LYS 8 -7.561 -2.184 0.928 40 HE2 LYS 8 1HE LYS 8 -8.622 -4.300 1.166 41 HE3 LYS 8 2HE LYS 8 -9.182 -3.274 2.488 42 HZ1 LYS 8 3HZ LYS 8 -11.251 -2.915 1.236 43 HZ2 LYS 8 1HZ LYS 8 -11.005 -4.512 1.445 44 HZ3 LYS 8 2HZ LYS 8 -10.711 -3.834 -0.007 45 HA PRO 9 HA PRO 9 -8.055 5.544 0.615 46 HB2 PRO 9 1HB PRO 9 -7.239 6.542 3.018 47 HB3 PRO 9 2HB PRO 9 -8.954 6.261 2.610 48 HG2 PRO 9 1HG PRO 9 -7.087 4.458 4.157 49 HG3 PRO 9 2HG PRO 9 -8.728 4.958 4.622 50 HD2 PRO 9 1HD PRO 9 -8.217 2.564 3.394 51 HD3 PRO 9 2HD PRO 9 -9.704 3.485 3.082 52 H TYR 10 H TYR 10 -5.848 3.402 2.482 53 HA TYR 10 HA TYR 10 -3.570 5.100 1.825 54 HB2 TYR 10 1HB TYR 10 -3.661 2.404 3.214 55 HB3 TYR 10 2HB TYR 10 -2.274 3.481 3.100 56 HD1 TYR 10 2HD TYR 10 -2.319 5.729 4.259 57 HD2 TYR 10 1HD TYR 10 -5.426 2.787 4.808 58 HE1 TYR 10 2HE TYR 10 -3.105 6.924 6.306 59 HE2 TYR 10 1HE TYR 10 -6.181 3.948 6.852 60 HH TYR 10 HH TYR 10 -5.854 5.732 8.273 61 H LYS 11 H LYS 11 -3.292 5.105 -0.340 62 HA LYS 11 HA LYS 11 -3.000 2.548 -1.838 63 HB2 LYS 11 1HB LYS 11 -3.361 5.330 -2.974 64 HB3 LYS 11 2HB LYS 11 -3.438 3.787 -3.834 65 HG2 LYS 11 1HG LYS 11 -5.459 3.244 -2.282 66 HG3 LYS 11 2HG LYS 11 -5.430 4.962 -1.867 67 HD2 LYS 11 1HD LYS 11 -5.502 5.447 -4.369 68 HD3 LYS 11 2HD LYS 11 -5.854 3.741 -4.629 69 HE2 LYS 11 1HE LYS 11 -7.514 5.653 -2.917 70 HE3 LYS 11 2HE LYS 11 -7.850 5.275 -4.609 71 HZ1 LYS 11 3HZ LYS 11 -9.215 3.916 -3.202 72 HZ2 LYS 11 1HZ LYS 11 -7.946 3.361 -2.347 73 HZ3 LYS 11 2HZ LYS 11 -8.131 2.926 -3.930 74 H CYS 12 H CYS 12 -1.306 2.083 -3.149 75 HA CYS 12 HA CYS 12 1.286 3.139 -2.477 76 HB2 CYS 12 1HB CYS 12 0.927 0.808 -2.985 77 HB3 CYS 12 2HB CYS 12 0.356 1.212 -4.612 78 HA PRO 13 HA PRO 13 1.372 6.333 -5.687 79 HB2 PRO 13 1HB PRO 13 3.979 7.112 -5.505 80 HB3 PRO 13 2HB PRO 13 2.772 7.472 -4.234 81 HG2 PRO 13 1HG PRO 13 4.783 5.200 -4.303 82 HG3 PRO 13 2HG PRO 13 4.444 6.336 -2.959 83 HD2 PRO 13 1HD PRO 13 3.323 3.847 -3.112 84 HD3 PRO 13 2HD PRO 13 2.430 5.227 -2.415 85 H GLN 14 H GLN 14 2.990 3.284 -5.828 86 HA GLN 14 HA GLN 14 3.782 3.738 -8.690 87 HB2 GLN 14 1HB GLN 14 5.013 1.848 -6.655 88 HB3 GLN 14 2HB GLN 14 5.438 1.960 -8.368 89 HG2 GLN 14 1HG GLN 14 6.067 4.379 -7.998 90 HG3 GLN 14 2HG GLN 14 5.784 4.145 -6.273 91 HE21 GLN 14 1HE2 GLN 14 8.132 4.907 -6.222 92 HE22 GLN 14 2HE2 GLN 14 9.359 3.662 -6.412 93 H CYS 15 H CYS 15 1.954 1.633 -6.533 94 HA CYS 15 HA CYS 15 1.268 -0.161 -8.840 95 HB2 CYS 15 1HB CYS 15 0.831 -0.802 -5.923 96 HB3 CYS 15 2HB CYS 15 0.873 -1.907 -7.295 97 H SER 16 H SER 16 -0.889 -1.245 -8.609 98 HA SER 16 HA SER 16 -3.115 0.591 -8.066 99 HB2 SER 16 1HB SER 16 -3.141 -2.358 -8.801 100 HB3 SER 16 2HB SER 16 -4.530 -1.255 -8.810 101 HG SER 16 HG SER 16 -3.605 -1.514 -10.903 102 H TYR 17 H TYR 17 -1.178 -0.989 -5.977 103 HA TYR 17 HA TYR 17 -2.855 -2.474 -4.225 104 HB2 TYR 17 1HB TYR 17 -0.436 -2.700 -4.240 105 HB3 TYR 17 2HB TYR 17 -0.230 -1.015 -3.802 106 HD1 TYR 17 1HD TYR 17 -0.596 -0.219 -1.496 107 HD2 TYR 17 2HD TYR 17 -1.137 -4.370 -2.566 108 HE1 TYR 17 1HE TYR 17 -0.619 -0.838 0.909 109 HE2 TYR 17 2HE TYR 17 -1.127 -4.984 -0.154 110 HH TYR 17 HH TYR 17 -0.960 -4.239 1.993 111 H ALA 18 H ALA 18 -4.137 -1.928 -2.562 112 HA ALA 18 HA ALA 18 -3.869 0.664 -1.238 113 HB1 ALA 18 1HB ALA 18 -5.610 1.048 -2.976 114 HB2 ALA 18 2HB ALA 18 -6.558 -0.296 -2.303 115 HB3 ALA 18 3HB ALA 18 -6.260 1.165 -1.331 116 H SER 19 H SER 19 -4.492 0.654 0.932 117 HA SER 19 HA SER 19 -5.691 -1.819 2.074 118 HB2 SER 19 1HB SER 19 -3.133 -1.836 2.236 119 HB3 SER 19 2HB SER 19 -3.309 -0.508 3.398 120 HG SER 19 HG SER 19 -4.354 -3.162 3.516 121 H ALA 20 H ALA 20 -6.394 -1.558 4.307 122 HA ALA 20 HA ALA 20 -7.762 1.025 4.754 123 HB1 ALA 20 1HB ALA 20 -9.038 -1.087 4.808 124 HB2 ALA 20 2HB ALA 20 -8.018 -1.671 6.146 125 HB3 ALA 20 3HB ALA 20 -9.074 -0.262 6.376 126 H ILE 21 H ILE 21 -4.787 -0.209 5.625 127 HA ILE 21 HA ILE 21 -4.644 1.364 8.166 128 HB ILE 21 HB ILE 21 -3.530 -1.404 7.607 129 HG12 ILE 21 1HG1 ILE 21 -5.621 -0.482 9.628 130 HG13 ILE 21 2HG1 ILE 21 -5.941 -1.409 8.162 131 HG21 ILE 21 1HG2 ILE 21 -1.905 -0.120 8.911 132 HG22 ILE 21 2HG2 ILE 21 -3.165 0.331 10.089 133 HG23 ILE 21 3HG2 ILE 21 -2.619 -1.353 9.905 134 HD11 ILE 21 3HD1 ILE 21 -4.465 -2.391 10.616 135 HD12 ILE 21 1HD1 ILE 21 -6.003 -2.951 9.952 136 HD13 ILE 21 2HD1 ILE 21 -4.499 -3.264 9.062 137 H LYS 22 H LYS 22 -2.950 2.724 8.299 138 HA LYS 22 HA LYS 22 -1.325 3.324 6.041 139 HB2 LYS 22 1HB LYS 22 -2.060 4.847 7.946 140 HB3 LYS 22 2HB LYS 22 -0.789 4.128 8.935 141 HG2 LYS 22 1HG LYS 22 0.922 4.905 7.324 142 HG3 LYS 22 2HG LYS 22 -0.348 5.537 6.259 143 HD2 LYS 22 1HD LYS 22 -1.087 7.072 8.082 144 HD3 LYS 22 2HD LYS 22 0.236 6.501 9.102 145 HE2 LYS 22 1HE LYS 22 0.569 7.837 6.371 146 HE3 LYS 22 2HE LYS 22 0.641 8.692 7.913 147 HZ1 LYS 22 3HZ LYS 22 2.514 6.540 7.084 148 HZ2 LYS 22 1HZ LYS 22 2.552 7.309 8.530 149 HZ3 LYS 22 2HZ LYS 22 2.858 8.132 7.157 150 H ALA 23 H ALA 23 -0.546 1.437 8.946 151 HA ALA 23 HA ALA 23 2.218 1.025 8.446 152 HB1 ALA 23 1HB ALA 23 1.067 0.593 10.596 153 HB2 ALA 23 2HB ALA 23 0.216 -0.788 9.856 154 HB3 ALA 23 3HB ALA 23 1.980 -0.823 10.038 155 H ASN 24 H ASN 24 -0.622 -0.750 7.153 156 HA ASN 24 HA ASN 24 0.872 -2.908 5.950 157 HB2 ASN 24 1HB ASN 24 -1.836 -1.664 5.298 158 HB3 ASN 24 2HB ASN 24 -1.199 -3.085 4.504 159 HD21 ASN 24 1HD2 ASN 24 -3.562 -3.351 5.595 160 HD22 ASN 24 2HD2 ASN 24 -3.459 -4.362 7.043 161 H LEU 25 H LEU 25 -0.179 0.306 4.702 162 HA LEU 25 HA LEU 25 1.102 0.002 2.154 163 HB2 LEU 25 1HB LEU 25 -0.667 1.645 2.514 164 HB3 LEU 25 2HB LEU 25 0.310 2.487 3.723 165 HG LEU 25 HG LEU 25 1.985 3.068 1.988 166 HD11 LEU 25 1HD1 LEU 25 1.689 1.196 0.415 167 HD12 LEU 25 2HD1 LEU 25 1.444 2.732 -0.398 168 HD13 LEU 25 3HD1 LEU 25 0.034 1.739 0.057 169 HD21 LEU 25 3HD2 LEU 25 0.680 4.716 0.797 170 HD22 LEU 25 1HD2 LEU 25 0.116 4.604 2.473 171 HD23 LEU 25 2HD2 LEU 25 -0.817 3.846 1.161 172 H ASN 26 H ASN 26 2.293 1.329 5.293 173 HA ASN 26 HA ASN 26 4.826 2.183 4.354 174 HB2 ASN 26 1HB ASN 26 3.825 2.653 6.602 175 HB3 ASN 26 2HB ASN 26 4.156 0.984 7.064 176 HD21 ASN 26 1HD2 ASN 26 5.339 2.164 8.846 177 HD22 ASN 26 2HD2 ASN 26 6.999 2.626 8.508 178 H VAL 27 H VAL 27 3.933 -1.115 5.595 179 HA VAL 27 HA VAL 27 6.497 -2.295 5.026 180 HB VAL 27 HB VAL 27 3.706 -3.510 5.221 181 HG11 VAL 27 1HG1 VAL 27 5.065 -5.106 3.959 182 HG12 VAL 27 2HG1 VAL 27 6.399 -4.939 5.124 183 HG13 VAL 27 3HG1 VAL 27 4.863 -5.689 5.609 184 HG21 VAL 27 3HG2 VAL 27 6.063 -3.483 7.163 185 HG22 VAL 27 1HG2 VAL 27 4.610 -2.476 7.310 186 HG23 VAL 27 2HG2 VAL 27 4.474 -4.230 7.448 187 H HIS 28 H HIS 28 3.596 -1.891 2.933 188 HA HIS 28 HA HIS 28 4.686 -3.344 0.737 189 HB2 HIS 28 1HB HIS 28 2.312 -2.777 0.925 190 HB3 HIS 28 2HB HIS 28 2.674 -1.060 0.804 191 HD1 HIS 28 1HD HIS 28 2.417 -4.166 -1.411 192 HD2 HIS 28 2HD HIS 28 3.314 -0.066 -1.596 193 HE1 HIS 28 1HE HIS 28 2.529 -3.597 -3.883 194 H LEU 29 H LEU 29 4.965 0.118 1.617 195 HA LEU 29 HA LEU 29 6.587 0.899 -0.647 196 HB2 LEU 29 1HB LEU 29 6.273 2.068 2.122 197 HB3 LEU 29 2HB LEU 29 7.205 2.838 0.841 198 HG LEU 29 HG LEU 29 4.307 2.134 0.413 199 HD11 LEU 29 1HD1 LEU 29 5.619 4.599 1.650 200 HD12 LEU 29 2HD1 LEU 29 4.531 3.471 2.472 201 HD13 LEU 29 3HD1 LEU 29 3.891 4.520 1.181 202 HD21 LEU 29 3HD2 LEU 29 4.417 4.078 -1.139 203 HD22 LEU 29 1HD2 LEU 29 5.461 2.750 -1.635 204 HD23 LEU 29 2HD2 LEU 29 6.165 4.188 -0.855 205 H ARG 30 H ARG 30 7.417 -0.500 2.524 206 HA ARG 30 HA ARG 30 10.154 0.119 2.423 207 HB2 ARG 30 1HB ARG 30 8.641 -2.166 3.740 208 HB3 ARG 30 2HB ARG 30 10.398 -2.079 3.839 209 HG2 ARG 30 1HG ARG 30 10.336 0.076 4.913 210 HG3 ARG 30 2HG ARG 30 8.609 0.226 4.695 211 HD2 ARG 30 1HD ARG 30 9.039 -0.386 6.990 212 HD3 ARG 30 2HD ARG 30 8.244 -1.728 6.187 213 HE ARG 30 HE ARG 30 10.141 -3.046 6.429 214 HH11 ARG 30 2HH2 ARG 30 11.057 0.224 7.310 215 HH12 ARG 30 1HH2 ARG 30 12.586 -0.291 7.967 216 HH21 ARG 30 2HH1 ARG 30 12.105 -3.623 7.276 217 HH22 ARG 30 1HH1 ARG 30 13.157 -2.410 7.944 218 H LYS 31 H LYS 31 8.407 -2.061 0.452 219 HA LYS 31 HA LYS 31 10.744 -3.483 -0.663 220 HB2 LYS 31 1HB LYS 31 7.851 -3.410 -1.615 221 HB3 LYS 31 2HB LYS 31 9.117 -4.499 -2.176 222 HG2 LYS 31 1HG LYS 31 9.287 -5.509 0.075 223 HG3 LYS 31 2HG LYS 31 8.021 -4.422 0.675 224 HD2 LYS 31 1HD LYS 31 6.405 -5.373 -0.934 225 HD3 LYS 31 2HD LYS 31 7.663 -6.472 -1.548 226 HE2 LYS 31 1HE LYS 31 7.910 -7.433 0.746 227 HE3 LYS 31 2HE LYS 31 6.622 -6.367 1.322 228 HZ1 LYS 31 3HZ LYS 31 6.299 -8.465 -0.762 229 HZ2 LYS 31 1HZ LYS 31 5.104 -7.483 -0.235 230 HZ3 LYS 31 2HZ LYS 31 5.770 -8.577 0.776 231 H HIS 32 H HIS 32 8.916 -0.529 -1.373 232 HA HIS 32 HA HIS 32 10.174 -0.211 -4.026 233 HB2 HIS 32 1HB HIS 32 8.354 1.562 -2.357 234 HB3 HIS 32 2HB HIS 32 8.983 1.995 -3.945 235 HD1 HIS 32 1HD HIS 32 8.431 -0.280 -5.802 236 HD2 HIS 32 2HD HIS 32 5.877 0.804 -2.648 237 HE1 HIS 32 1HE HIS 32 6.170 -1.246 -6.393 238 H THR 33 H THR 33 10.766 0.953 -0.701 239 HA THR 33 HA THR 33 12.556 3.067 -1.472 240 HB THR 33 HB THR 33 13.241 3.040 0.946 241 HG1 THR 33 1HG THR 33 12.926 0.939 1.528 242 HG21 THR 33 3HG2 THR 33 10.242 3.053 0.408 243 HG22 THR 33 1HG2 THR 33 11.357 4.417 0.189 244 HG23 THR 33 2HG2 THR 33 11.066 3.764 1.811 245 H GLY 34 H GLY 34 13.168 -0.325 -1.399 246 HA2 GLY 34 1HA GLY 34 15.816 0.072 -2.429 247 HA3 GLY 34 2HA GLY 34 15.907 -0.511 -0.766 248 H GLU 35 H GLU 35 16.684 -1.751 -3.355 249 HA GLU 35 HA GLU 35 15.531 -4.430 -2.943 250 HB2 GLU 35 1HB GLU 35 14.037 -3.320 -4.601 251 HB3 GLU 35 2HB GLU 35 15.428 -3.014 -5.644 252 HG2 GLU 35 1HG GLU 35 15.774 -5.440 -5.927 253 HG3 GLU 35 2HG GLU 35 14.484 -5.779 -4.770 254 H LYS 36 H LYS 36 16.922 -6.082 -3.568 255 HA LYS 36 HA LYS 36 19.410 -5.519 -5.038 256 HB2 LYS 36 1HB LYS 36 19.951 -5.091 -2.637 257 HB3 LYS 36 2HB LYS 36 19.390 -6.711 -2.230 258 HG2 LYS 36 1HG LYS 36 21.802 -6.667 -2.304 259 HG3 LYS 36 2HG LYS 36 21.206 -7.696 -3.607 260 HD2 LYS 36 1HD LYS 36 21.613 -5.883 -5.247 261 HD3 LYS 36 2HD LYS 36 22.121 -4.798 -3.933 262 HE2 LYS 36 1HE LYS 36 23.976 -6.356 -3.379 263 HE3 LYS 36 2HE LYS 36 23.461 -7.438 -4.680 264 HZ1 LYS 36 3HZ LYS 36 25.270 -5.989 -5.400 265 HZ2 LYS 36 1HZ LYS 36 24.407 -4.647 -5.064 266 HZ3 LYS 36 2HZ LYS 36 23.931 -5.646 -6.266 Start of MODEL 6 1 H1 GLY 1 1H GLY 1 -1.957 1.808 -18.019 2 H2 GLY 1 2H GLY 1 -2.806 2.432 -16.764 3 H3 GLY 1 3H GLY 1 -3.355 2.615 -18.296 4 HA2 GLY 1 1HA GLY 1 -3.721 0.252 -18.525 5 HA3 GLY 1 2HA GLY 1 -3.106 0.041 -16.877 6 H SER 2 H SER 2 -5.736 -0.676 -17.973 7 HA SER 2 HA SER 2 -7.696 1.245 -17.047 8 HB2 SER 2 1HB SER 2 -8.067 -1.647 -17.897 9 HB3 SER 2 2HB SER 2 -9.327 -0.405 -17.776 10 HG SER 2 HG SER 2 -8.563 -0.656 -19.930 11 H SER 3 H SER 3 -5.971 -1.150 -15.312 12 HA SER 3 HA SER 3 -7.945 -2.074 -13.478 13 HB2 SER 3 1HB SER 3 -4.941 -1.819 -13.085 14 HB3 SER 3 2HB SER 3 -6.045 -2.842 -12.144 15 HG SER 3 HG SER 3 -4.991 -4.020 -13.812 16 H GLY 4 H GLY 4 -8.137 -1.665 -11.190 17 HA2 GLY 4 1HA GLY 4 -7.102 0.744 -9.944 18 HA3 GLY 4 2HA GLY 4 -8.789 0.915 -10.430 19 H SER 5 H SER 5 -8.678 1.275 -7.966 20 HA SER 5 HA SER 5 -9.566 -1.159 -6.533 21 HB2 SER 5 1HB SER 5 -8.060 -0.623 -4.618 22 HB3 SER 5 2HB SER 5 -7.200 -1.120 -6.081 23 HG SER 5 HG SER 5 -6.117 0.623 -5.552 24 H SER 6 H SER 6 -10.739 -0.712 -4.560 25 HA SER 6 HA SER 6 -11.618 2.073 -4.071 26 HB2 SER 6 1HB SER 6 -13.053 1.095 -5.906 27 HB3 SER 6 2HB SER 6 -13.621 -0.112 -4.737 28 HG SER 6 HG SER 6 -14.986 1.762 -4.882 29 H GLY 7 H GLY 7 -13.053 2.251 -2.199 30 HA2 GLY 7 1HA GLY 7 -13.722 1.863 -0.043 31 HA3 GLY 7 2HA GLY 7 -13.447 0.142 -0.309 32 H LYS 8 H LYS 8 -10.540 1.708 -0.869 33 HA LYS 8 HA LYS 8 -9.538 1.417 1.938 34 HB2 LYS 8 1HB LYS 8 -8.510 0.147 -0.609 35 HB3 LYS 8 2HB LYS 8 -7.477 0.375 0.798 36 HG2 LYS 8 1HG LYS 8 -8.848 -1.014 2.190 37 HG3 LYS 8 2HG LYS 8 -10.146 -1.064 0.993 38 HD2 LYS 8 1HD LYS 8 -8.701 -2.311 -0.572 39 HD3 LYS 8 2HD LYS 8 -7.380 -2.269 0.610 40 HE2 LYS 8 1HE LYS 8 -8.789 -3.509 2.235 41 HE3 LYS 8 2HE LYS 8 -10.113 -3.544 1.063 42 HZ1 LYS 8 3HZ LYS 8 -7.454 -4.816 0.652 43 HZ2 LYS 8 1HZ LYS 8 -8.693 -4.857 -0.415 44 HZ3 LYS 8 2HZ LYS 8 -8.831 -5.610 1.023 45 HA PRO 9 HA PRO 9 -8.174 5.453 0.562 46 HB2 PRO 9 1HB PRO 9 -7.365 6.531 2.933 47 HB3 PRO 9 2HB PRO 9 -9.078 6.204 2.546 48 HG2 PRO 9 1HG PRO 9 -7.161 4.502 4.145 49 HG3 PRO 9 2HG PRO 9 -8.824 4.961 4.585 50 HD2 PRO 9 1HD PRO 9 -8.217 2.545 3.426 51 HD3 PRO 9 2HD PRO 9 -9.741 3.399 3.101 52 H TYR 10 H TYR 10 -5.918 3.415 2.488 53 HA TYR 10 HA TYR 10 -3.668 5.141 1.839 54 HB2 TYR 10 1HB TYR 10 -3.732 2.436 3.213 55 HB3 TYR 10 2HB TYR 10 -2.358 3.529 3.133 56 HD1 TYR 10 2HD TYR 10 -2.507 5.809 4.272 57 HD2 TYR 10 1HD TYR 10 -5.470 2.724 4.822 58 HE1 TYR 10 2HE TYR 10 -3.339 6.966 6.314 59 HE2 TYR 10 1HE TYR 10 -6.275 3.856 6.874 60 HH TYR 10 HH TYR 10 -4.841 6.931 8.050 61 H LYS 11 H LYS 11 -3.190 5.142 -0.315 62 HA LYS 11 HA LYS 11 -2.883 2.537 -1.747 63 HB2 LYS 11 1HB LYS 11 -3.421 5.275 -2.944 64 HB3 LYS 11 2HB LYS 11 -3.290 3.733 -3.799 65 HG2 LYS 11 1HG LYS 11 -5.237 2.967 -2.197 66 HG3 LYS 11 2HG LYS 11 -5.496 4.700 -1.960 67 HD2 LYS 11 1HD LYS 11 -5.698 4.985 -4.436 68 HD3 LYS 11 2HD LYS 11 -5.445 3.237 -4.634 69 HE2 LYS 11 1HE LYS 11 -7.479 2.872 -3.148 70 HE3 LYS 11 2HE LYS 11 -7.780 4.614 -3.240 71 HZ1 LYS 11 3HZ LYS 11 -7.871 4.348 -5.698 72 HZ2 LYS 11 1HZ LYS 11 -9.012 3.417 -4.983 73 HZ3 LYS 11 2HZ LYS 11 -7.651 2.725 -5.530 74 H CYS 12 H CYS 12 -1.257 2.104 -3.118 75 HA CYS 12 HA CYS 12 1.347 3.148 -2.474 76 HB2 CYS 12 1HB CYS 12 0.924 0.822 -2.995 77 HB3 CYS 12 2HB CYS 12 0.390 1.257 -4.628 78 HA PRO 13 HA PRO 13 1.410 6.321 -5.739 79 HB2 PRO 13 1HB PRO 13 4.027 7.086 -5.574 80 HB3 PRO 13 2HB PRO 13 2.813 7.505 -4.333 81 HG2 PRO 13 1HG PRO 13 4.839 5.266 -4.261 82 HG3 PRO 13 2HG PRO 13 4.424 6.431 -2.970 83 HD2 PRO 13 1HD PRO 13 3.368 3.895 -3.120 84 HD3 PRO 13 2HD PRO 13 2.460 5.265 -2.420 85 H GLN 14 H GLN 14 3.074 3.290 -5.744 86 HA GLN 14 HA GLN 14 4.069 3.662 -8.543 87 HB2 GLN 14 1HB GLN 14 4.843 1.459 -6.635 88 HB3 GLN 14 2HB GLN 14 5.646 1.932 -8.119 89 HG2 GLN 14 1HG GLN 14 5.563 3.539 -5.521 90 HG3 GLN 14 2HG GLN 14 6.897 2.556 -6.087 91 HE21 GLN 14 1HE2 GLN 14 7.616 5.023 -5.471 92 HE22 GLN 14 2HE2 GLN 14 7.850 5.996 -6.918 93 H CYS 15 H CYS 15 1.981 1.662 -6.528 94 HA CYS 15 HA CYS 15 1.297 -0.102 -8.855 95 HB2 CYS 15 1HB CYS 15 0.837 -0.741 -5.938 96 HB3 CYS 15 2HB CYS 15 0.868 -1.848 -7.306 97 H SER 16 H SER 16 -0.895 -1.155 -8.624 98 HA SER 16 HA SER 16 -3.090 0.716 -8.089 99 HB2 SER 16 1HB SER 16 -3.166 -2.258 -8.719 100 HB3 SER 16 2HB SER 16 -4.533 -1.129 -8.776 101 HG SER 16 HG SER 16 -3.517 -1.561 -10.847 102 H TYR 17 H TYR 17 -1.157 -0.968 -6.019 103 HA TYR 17 HA TYR 17 -2.810 -2.437 -4.279 104 HB2 TYR 17 1HB TYR 17 -0.396 -2.642 -4.307 105 HB3 TYR 17 2HB TYR 17 -0.198 -0.967 -3.830 106 HD1 TYR 17 1HD TYR 17 -0.605 -0.220 -1.492 107 HD2 TYR 17 2HD TYR 17 -1.030 -4.360 -2.667 108 HE1 TYR 17 1HE TYR 17 -0.527 -0.894 0.878 109 HE2 TYR 17 2HE TYR 17 -0.948 -5.032 -0.265 110 HH TYR 17 HH TYR 17 -0.474 -2.650 2.356 111 H ALA 18 H ALA 18 -4.028 -1.982 -2.560 112 HA ALA 18 HA ALA 18 -3.929 0.644 -1.254 113 HB1 ALA 18 1HB ALA 18 -6.533 -0.569 -2.269 114 HB2 ALA 18 2HB ALA 18 -6.338 0.957 -1.370 115 HB3 ALA 18 3HB ALA 18 -5.690 0.807 -3.013 116 H SER 19 H SER 19 -4.546 0.609 0.908 117 HA SER 19 HA SER 19 -5.651 -1.890 2.075 118 HB2 SER 19 1HB SER 19 -3.091 -1.855 2.252 119 HB3 SER 19 2HB SER 19 -3.302 -0.520 3.402 120 HG SER 19 HG SER 19 -4.283 -3.197 3.538 121 H ALA 20 H ALA 20 -6.353 -1.628 4.312 122 HA ALA 20 HA ALA 20 -7.784 0.929 4.732 123 HB1 ALA 20 1HB ALA 20 -9.023 -1.204 4.783 124 HB2 ALA 20 2HB ALA 20 -8.002 -1.767 6.129 125 HB3 ALA 20 3HB ALA 20 -9.085 -0.377 6.349 126 H ILE 21 H ILE 21 -4.790 -0.236 5.624 127 HA ILE 21 HA ILE 21 -4.685 1.364 8.148 128 HB ILE 21 HB ILE 21 -3.527 -1.396 7.635 129 HG12 ILE 21 1HG1 ILE 21 -5.634 -0.474 9.639 130 HG13 ILE 21 2HG1 ILE 21 -5.938 -1.429 8.188 131 HG21 ILE 21 1HG2 ILE 21 -2.619 -1.296 9.933 132 HG22 ILE 21 2HG2 ILE 21 -1.921 -0.071 8.919 133 HG23 ILE 21 3HG2 ILE 21 -3.187 0.383 10.088 134 HD11 ILE 21 3HD1 ILE 21 -4.450 -2.349 10.660 135 HD12 ILE 21 1HD1 ILE 21 -5.980 -2.942 10.003 136 HD13 ILE 21 2HD1 ILE 21 -4.469 -3.247 9.119 137 H LYS 22 H LYS 22 -3.001 2.748 8.269 138 HA LYS 22 HA LYS 22 -1.378 3.329 6.001 139 HB2 LYS 22 1HB LYS 22 -2.124 4.890 7.862 140 HB3 LYS 22 2HB LYS 22 -0.869 4.187 8.884 141 HG2 LYS 22 1HG LYS 22 0.868 4.921 7.267 142 HG3 LYS 22 2HG LYS 22 -0.395 5.554 6.190 143 HD2 LYS 22 1HD LYS 22 -1.092 7.156 7.956 144 HD3 LYS 22 2HD LYS 22 0.172 6.519 9.031 145 HE2 LYS 22 1HE LYS 22 1.905 7.175 7.371 146 HE3 LYS 22 2HE LYS 22 0.646 7.811 6.304 147 HZ1 LYS 22 3HZ LYS 22 1.651 9.575 7.636 148 HZ2 LYS 22 1HZ LYS 22 1.243 8.836 9.031 149 HZ3 LYS 22 2HZ LYS 22 0.080 9.424 8.044 150 H ALA 23 H ALA 23 -0.571 1.508 8.949 151 HA ALA 23 HA ALA 23 2.193 1.122 8.445 152 HB1 ALA 23 1HB ALA 23 1.989 -0.708 10.065 153 HB2 ALA 23 2HB ALA 23 1.063 0.706 10.607 154 HB3 ALA 23 3HB ALA 23 0.223 -0.695 9.896 155 H ASN 24 H ASN 24 -0.622 -0.711 7.181 156 HA ASN 24 HA ASN 24 0.904 -2.851 5.989 157 HB2 ASN 24 1HB ASN 24 -1.827 -1.661 5.330 158 HB3 ASN 24 2HB ASN 24 -1.168 -3.087 4.555 159 HD21 ASN 24 1HD2 ASN 24 -3.526 -3.371 5.647 160 HD22 ASN 24 2HD2 ASN 24 -3.410 -4.355 7.111 161 H LEU 25 H LEU 25 -0.162 0.358 4.736 162 HA LEU 25 HA LEU 25 1.087 0.033 2.166 163 HB2 LEU 25 1HB LEU 25 -0.694 1.662 2.542 164 HB3 LEU 25 2HB LEU 25 0.293 2.521 3.729 165 HG LEU 25 HG LEU 25 1.942 3.105 1.971 166 HD11 LEU 25 1HD1 LEU 25 1.366 2.743 -0.404 167 HD12 LEU 25 2HD1 LEU 25 -0.022 1.734 0.080 168 HD13 LEU 25 3HD1 LEU 25 1.647 1.216 0.415 169 HD21 LEU 25 3HD2 LEU 25 0.059 4.620 2.467 170 HD22 LEU 25 1HD2 LEU 25 -0.884 3.829 1.181 171 HD23 LEU 25 2HD2 LEU 25 0.593 4.720 0.778 172 H ASN 26 H ASN 26 2.288 1.388 5.287 173 HA ASN 26 HA ASN 26 4.808 2.261 4.330 174 HB2 ASN 26 1HB ASN 26 3.797 2.736 6.578 175 HB3 ASN 26 2HB ASN 26 4.168 1.081 7.059 176 HD21 ASN 26 1HD2 ASN 26 5.337 2.307 8.816 177 HD22 ASN 26 2HD2 ASN 26 6.984 2.805 8.461 178 H VAL 27 H VAL 27 3.944 -1.016 5.617 179 HA VAL 27 HA VAL 27 6.498 -2.217 5.072 180 HB VAL 27 HB VAL 27 3.710 -3.405 5.274 181 HG11 VAL 27 1HG1 VAL 27 6.391 -4.859 5.198 182 HG12 VAL 27 2HG1 VAL 27 4.849 -5.590 5.697 183 HG13 VAL 27 3HG1 VAL 27 5.051 -5.034 4.038 184 HG21 VAL 27 3HG2 VAL 27 6.065 -3.375 7.217 185 HG22 VAL 27 1HG2 VAL 27 4.625 -2.350 7.351 186 HG23 VAL 27 2HG2 VAL 27 4.468 -4.102 7.513 187 H HIS 28 H HIS 28 3.605 -1.832 2.962 188 HA HIS 28 HA HIS 28 4.705 -3.317 0.790 189 HB2 HIS 28 1HB HIS 28 2.331 -2.768 0.958 190 HB3 HIS 28 2HB HIS 28 2.677 -1.048 0.829 191 HD1 HIS 28 1HD HIS 28 2.462 -4.172 -1.368 192 HD2 HIS 28 2HD HIS 28 3.295 -0.060 -1.581 193 HE1 HIS 28 1HE HIS 28 2.556 -3.618 -3.842 194 H LEU 29 H LEU 29 4.949 0.168 1.602 195 HA LEU 29 HA LEU 29 6.525 0.942 -0.690 196 HB2 LEU 29 1HB LEU 29 6.247 2.105 2.085 197 HB3 LEU 29 2HB LEU 29 7.193 2.878 0.816 198 HG LEU 29 HG LEU 29 4.307 2.175 0.348 199 HD11 LEU 29 1HD1 LEU 29 3.869 4.558 1.139 200 HD12 LEU 29 2HD1 LEU 29 5.590 4.632 1.637 201 HD13 LEU 29 3HD1 LEU 29 4.490 3.494 2.427 202 HD21 LEU 29 3HD2 LEU 29 6.185 4.254 -0.853 203 HD22 LEU 29 1HD2 LEU 29 4.442 4.163 -1.162 204 HD23 LEU 29 2HD2 LEU 29 5.484 2.835 -1.670 205 H ARG 30 H ARG 30 7.451 -0.418 2.477 206 HA ARG 30 HA ARG 30 10.175 0.202 2.317 207 HB2 ARG 30 1HB ARG 30 8.799 -2.238 3.506 208 HB3 ARG 30 2HB ARG 30 10.545 -2.029 3.576 209 HG2 ARG 30 1HG ARG 30 10.344 0.049 4.822 210 HG3 ARG 30 2HG ARG 30 8.591 0.002 4.701 211 HD2 ARG 30 1HD ARG 30 9.149 -0.812 6.872 212 HD3 ARG 30 2HD ARG 30 8.595 -2.188 5.927 213 HE ARG 30 HE ARG 30 10.880 -2.996 5.731 214 HH11 ARG 30 2HH1 ARG 30 10.727 -0.277 7.967 215 HH12 ARG 30 1HH1 ARG 30 12.276 -0.691 8.652 216 HH21 ARG 30 2HH2 ARG 30 12.713 -3.412 6.561 217 HH22 ARG 30 1HH2 ARG 30 13.409 -2.466 7.881 218 H LYS 31 H LYS 31 8.359 -2.064 0.408 219 HA LYS 31 HA LYS 31 10.670 -3.482 -0.742 220 HB2 LYS 31 1HB LYS 31 7.755 -3.479 -1.621 221 HB3 LYS 31 2HB LYS 31 9.018 -4.582 -2.158 222 HG2 LYS 31 1HG LYS 31 9.257 -5.465 0.148 223 HG3 LYS 31 2HG LYS 31 7.971 -4.376 0.704 224 HD2 LYS 31 1HD LYS 31 6.368 -5.449 -0.853 225 HD3 LYS 31 2HD LYS 31 7.649 -6.558 -1.397 226 HE2 LYS 31 1HE LYS 31 7.913 -7.371 0.952 227 HE3 LYS 31 2HE LYS 31 6.606 -6.296 1.463 228 HZ1 LYS 31 3HZ LYS 31 6.322 -8.526 -0.488 229 HZ2 LYS 31 1HZ LYS 31 5.107 -7.537 -0.020 230 HZ3 LYS 31 2HZ LYS 31 5.796 -8.552 1.056 231 H HIS 32 H HIS 32 8.919 -0.520 -1.442 232 HA HIS 32 HA HIS 32 10.167 -0.279 -4.115 233 HB2 HIS 32 1HB HIS 32 8.413 1.562 -2.458 234 HB3 HIS 32 2HB HIS 32 9.038 1.952 -4.066 235 HD1 HIS 32 1HD HIS 32 8.441 -0.519 -5.762 236 HD2 HIS 32 2HD HIS 32 5.909 0.902 -2.720 237 HE1 HIS 32 1HE HIS 32 6.156 -1.482 -6.269 238 H THR 33 H THR 33 10.739 0.929 -0.792 239 HA THR 33 HA THR 33 12.976 2.622 -1.709 240 HB THR 33 HB THR 33 13.199 3.253 0.639 241 HG1 THR 33 1HG THR 33 11.729 2.467 2.129 242 HG21 THR 33 3HG2 THR 33 11.549 4.441 -0.807 243 HG22 THR 33 1HG2 THR 33 11.085 4.425 0.903 244 HG23 THR 33 2HG2 THR 33 10.279 3.333 -0.243 245 H GLY 34 H GLY 34 12.654 -0.611 -0.427 246 HA2 GLY 34 1HA GLY 34 15.478 -1.224 -0.781 247 HA3 GLY 34 2HA GLY 34 15.000 -1.073 0.912 248 H GLU 35 H GLU 35 15.079 -3.157 1.579 249 HA GLU 35 HA GLU 35 14.690 -5.363 1.838 250 HB2 GLU 35 1HB GLU 35 11.978 -4.759 0.642 251 HB3 GLU 35 2HB GLU 35 12.367 -6.136 1.650 252 HG2 GLU 35 1HG GLU 35 12.532 -3.249 2.614 253 HG3 GLU 35 2HG GLU 35 11.108 -4.269 2.746 254 H LYS 36 H LYS 36 15.910 -4.643 -0.741 255 HA LYS 36 HA LYS 36 15.057 -6.657 -2.689 256 HB2 LYS 36 1HB LYS 36 17.476 -4.808 -2.634 257 HB3 LYS 36 2HB LYS 36 17.039 -5.891 -3.961 258 HG2 LYS 36 1HG LYS 36 14.852 -4.692 -4.208 259 HG3 LYS 36 2HG LYS 36 15.332 -3.588 -2.914 260 HD2 LYS 36 1HD LYS 36 15.712 -2.487 -5.000 261 HD3 LYS 36 2HD LYS 36 17.285 -2.848 -4.274 262 HE2 LYS 36 1HE LYS 36 17.514 -4.828 -5.764 263 HE3 LYS 36 2HE LYS 36 15.918 -4.503 -6.451 264 HZ1 LYS 36 3HZ LYS 36 17.687 -3.616 -7.855 265 HZ2 LYS 36 1HZ LYS 36 18.260 -2.683 -6.647 266 HZ3 LYS 36 2HZ LYS 36 16.785 -2.383 -7.286 Start of MODEL 7 1 H1 GLY 1 1H GLY 1 -18.369 -9.807 -12.829 2 H2 GLY 1 2H GLY 1 -17.480 -10.914 -12.009 3 H3 GLY 1 3H GLY 1 -16.775 -9.979 -13.154 4 HA2 GLY 1 1HA GLY 1 -17.895 -9.017 -10.601 5 HA3 GLY 1 2HA GLY 1 -16.169 -9.190 -10.966 6 H SER 2 H SER 2 -16.063 -6.895 -10.396 7 HA SER 2 HA SER 2 -16.393 -5.139 -12.750 8 HB2 SER 2 1HB SER 2 -17.553 -3.407 -11.546 9 HB3 SER 2 2HB SER 2 -18.491 -4.899 -11.404 10 HG SER 2 HG SER 2 -18.322 -3.878 -9.384 11 H SER 3 H SER 3 -15.377 -2.954 -12.327 12 HA SER 3 HA SER 3 -12.702 -3.283 -11.246 13 HB2 SER 3 1HB SER 3 -14.031 -0.810 -12.403 14 HB3 SER 3 2HB SER 3 -12.293 -1.070 -12.166 15 HG SER 3 HG SER 3 -12.947 -1.501 -14.327 16 H GLY 4 H GLY 4 -15.408 -2.736 -9.491 17 HA2 GLY 4 1HA GLY 4 -14.779 -0.411 -7.909 18 HA3 GLY 4 2HA GLY 4 -15.951 -1.664 -7.521 19 H SER 5 H SER 5 -14.544 -0.474 -5.539 20 HA SER 5 HA SER 5 -12.967 -2.695 -4.370 21 HB2 SER 5 1HB SER 5 -11.146 -1.312 -3.708 22 HB3 SER 5 2HB SER 5 -11.377 -1.034 -5.438 23 HG SER 5 HG SER 5 -11.139 0.949 -4.397 24 H SER 6 H SER 6 -12.466 -2.151 -1.974 25 HA SER 6 HA SER 6 -14.922 -1.604 -0.595 26 HB2 SER 6 1HB SER 6 -12.304 -1.599 0.847 27 HB3 SER 6 2HB SER 6 -13.834 -2.342 1.305 28 HG SER 6 HG SER 6 -13.427 -3.961 -0.276 29 H GLY 7 H GLY 7 -12.906 0.705 -1.920 30 HA2 GLY 7 1HA GLY 7 -12.726 2.989 -1.570 31 HA3 GLY 7 2HA GLY 7 -13.750 2.868 -0.140 32 H LYS 8 H LYS 8 -10.856 0.899 -0.464 33 HA LYS 8 HA LYS 8 -9.664 1.602 2.008 34 HB2 LYS 8 1HB LYS 8 -8.632 0.284 -0.519 35 HB3 LYS 8 2HB LYS 8 -7.587 0.536 0.868 36 HG2 LYS 8 1HG LYS 8 -8.847 -0.875 2.282 37 HG3 LYS 8 2HG LYS 8 -10.254 -0.863 1.215 38 HD2 LYS 8 1HD LYS 8 -9.153 -2.229 -0.436 39 HD3 LYS 8 2HD LYS 8 -7.589 -2.031 0.349 40 HE2 LYS 8 1HE LYS 8 -8.433 -4.257 0.757 41 HE3 LYS 8 2HE LYS 8 -8.299 -3.364 2.270 42 HZ1 LYS 8 3HZ LYS 8 -10.864 -3.733 0.785 43 HZ2 LYS 8 1HZ LYS 8 -10.689 -3.054 2.264 44 HZ3 LYS 8 2HZ LYS 8 -10.392 -4.639 2.055 45 HA PRO 9 HA PRO 9 -8.168 5.575 0.615 46 HB2 PRO 9 1HB PRO 9 -7.323 6.659 2.964 47 HB3 PRO 9 2HB PRO 9 -9.044 6.340 2.606 48 HG2 PRO 9 1HG PRO 9 -7.114 4.661 4.202 49 HG3 PRO 9 2HG PRO 9 -8.780 5.104 4.643 50 HD2 PRO 9 1HD PRO 9 -8.102 2.692 3.491 51 HD3 PRO 9 2HD PRO 9 -9.677 3.479 3.234 52 H TYR 10 H TYR 10 -5.932 3.496 2.508 53 HA TYR 10 HA TYR 10 -3.661 5.178 1.819 54 HB2 TYR 10 1HB TYR 10 -3.740 2.496 3.237 55 HB3 TYR 10 2HB TYR 10 -2.372 3.597 3.157 56 HD1 TYR 10 2HD TYR 10 -2.680 5.985 4.144 57 HD2 TYR 10 1HD TYR 10 -5.391 2.723 4.919 58 HE1 TYR 10 2HE TYR 10 -3.572 7.190 6.138 59 HE2 TYR 10 1HE TYR 10 -6.242 3.895 6.926 60 HH TYR 10 HH TYR 10 -6.115 5.782 8.237 61 H LYS 11 H LYS 11 -3.178 5.144 -0.319 62 HA LYS 11 HA LYS 11 -2.944 2.529 -1.749 63 HB2 LYS 11 1HB LYS 11 -3.487 5.268 -2.936 64 HB3 LYS 11 2HB LYS 11 -3.420 3.720 -3.792 65 HG2 LYS 11 1HG LYS 11 -5.326 2.934 -2.276 66 HG3 LYS 11 2HG LYS 11 -5.478 4.606 -1.731 67 HD2 LYS 11 1HD LYS 11 -5.843 5.325 -4.083 68 HD3 LYS 11 2HD LYS 11 -5.764 3.625 -4.602 69 HE2 LYS 11 1HE LYS 11 -7.684 3.084 -3.120 70 HE3 LYS 11 2HE LYS 11 -7.755 4.763 -2.583 71 HZ1 LYS 11 3HZ LYS 11 -8.263 5.411 -4.882 72 HZ2 LYS 11 1HZ LYS 11 -9.367 4.336 -4.348 73 HZ3 LYS 11 2HZ LYS 11 -8.198 3.855 -5.381 74 H CYS 12 H CYS 12 -1.293 2.081 -3.124 75 HA CYS 12 HA CYS 12 1.294 3.171 -2.477 76 HB2 CYS 12 1HB CYS 12 0.968 0.835 -2.992 77 HB3 CYS 12 2HB CYS 12 0.384 1.240 -4.614 78 HA PRO 13 HA PRO 13 1.291 6.400 -5.657 79 HB2 PRO 13 1HB PRO 13 3.904 7.185 -5.510 80 HB3 PRO 13 2HB PRO 13 2.710 7.545 -4.228 81 HG2 PRO 13 1HG PRO 13 4.730 5.283 -4.314 82 HG3 PRO 13 2HG PRO 13 4.395 6.418 -2.968 83 HD2 PRO 13 1HD PRO 13 3.293 3.920 -3.114 84 HD3 PRO 13 2HD PRO 13 2.393 5.290 -2.406 85 H GLN 14 H GLN 14 2.935 3.377 -5.813 86 HA GLN 14 HA GLN 14 3.768 3.811 -8.662 87 HB2 GLN 14 1HB GLN 14 4.977 2.093 -6.467 88 HB3 GLN 14 2HB GLN 14 5.454 2.018 -8.167 89 HG2 GLN 14 1HG GLN 14 6.178 4.349 -8.133 90 HG3 GLN 14 2HG GLN 14 5.592 4.561 -6.484 91 HE21 GLN 14 1HE2 GLN 14 7.958 2.546 -8.364 92 HE22 GLN 14 2HE2 GLN 14 9.092 2.460 -7.023 93 H CYS 15 H CYS 15 1.907 1.721 -6.527 94 HA CYS 15 HA CYS 15 1.264 -0.096 -8.833 95 HB2 CYS 15 1HB CYS 15 0.843 -0.734 -5.909 96 HB3 CYS 15 2HB CYS 15 0.863 -1.843 -7.277 97 H SER 16 H SER 16 -0.883 -1.202 -8.586 98 HA SER 16 HA SER 16 -3.125 0.612 -8.023 99 HB2 SER 16 1HB SER 16 -3.146 -2.342 -8.742 100 HB3 SER 16 2HB SER 16 -4.525 -1.232 -8.791 101 HG SER 16 HG SER 16 -3.467 -0.063 -10.440 102 H TYR 17 H TYR 17 -1.154 -0.969 -5.961 103 HA TYR 17 HA TYR 17 -2.779 -2.479 -4.197 104 HB2 TYR 17 1HB TYR 17 -0.372 -2.643 -4.178 105 HB3 TYR 17 2HB TYR 17 -0.200 -0.938 -3.807 106 HD1 TYR 17 1HD TYR 17 -0.680 -0.041 -1.523 107 HD2 TYR 17 2HD TYR 17 -0.911 -4.263 -2.424 108 HE1 TYR 17 1HE TYR 17 -0.703 -0.561 0.900 109 HE2 TYR 17 2HE TYR 17 -0.880 -4.772 0.013 110 HH TYR 17 HH TYR 17 -0.787 -3.914 2.125 111 H ALA 18 H ALA 18 -4.056 -1.997 -2.527 112 HA ALA 18 HA ALA 18 -3.985 0.642 -1.249 113 HB1 ALA 18 1HB ALA 18 -6.398 0.949 -1.386 114 HB2 ALA 18 2HB ALA 18 -5.731 0.797 -3.024 115 HB3 ALA 18 3HB ALA 18 -6.580 -0.579 -2.284 116 H SER 19 H SER 19 -4.622 0.620 0.918 117 HA SER 19 HA SER 19 -5.790 -1.849 2.062 118 HB2 SER 19 1HB SER 19 -3.276 -1.993 2.292 119 HB3 SER 19 2HB SER 19 -3.354 -0.565 3.341 120 HG SER 19 HG SER 19 -4.733 -3.054 3.717 121 H ALA 20 H ALA 20 -6.592 -1.591 4.237 122 HA ALA 20 HA ALA 20 -7.785 1.053 4.793 123 HB1 ALA 20 1HB ALA 20 -9.190 -0.975 4.840 124 HB2 ALA 20 2HB ALA 20 -8.157 -1.665 6.115 125 HB3 ALA 20 3HB ALA 20 -9.112 -0.202 6.432 126 H ILE 21 H ILE 21 -4.864 -0.437 5.539 127 HA ILE 21 HA ILE 21 -4.573 1.036 8.132 128 HB ILE 21 HB ILE 21 -3.334 -1.625 7.348 129 HG12 ILE 21 1HG1 ILE 21 -5.544 -1.037 9.369 130 HG13 ILE 21 2HG1 ILE 21 -5.755 -1.858 7.823 131 HG21 ILE 21 1HG2 ILE 21 -3.227 -0.095 9.994 132 HG22 ILE 21 2HG2 ILE 21 -2.465 -1.664 9.661 133 HG23 ILE 21 3HG2 ILE 21 -1.886 -0.237 8.839 134 HD11 ILE 21 3HD1 ILE 21 -5.724 -3.543 9.488 135 HD12 ILE 21 1HD1 ILE 21 -4.192 -3.664 8.598 136 HD13 ILE 21 2HD1 ILE 21 -4.239 -2.926 10.220 137 H LYS 22 H LYS 22 -3.104 2.595 8.081 138 HA LYS 22 HA LYS 22 -1.493 3.229 5.828 139 HB2 LYS 22 1HB LYS 22 -2.381 4.756 7.655 140 HB3 LYS 22 2HB LYS 22 -1.079 4.180 8.698 141 HG2 LYS 22 1HG LYS 22 0.599 5.038 7.088 142 HG3 LYS 22 2HG LYS 22 -0.698 5.534 5.984 143 HD2 LYS 22 1HD LYS 22 -1.595 7.043 7.774 144 HD3 LYS 22 2HD LYS 22 -0.221 6.627 8.800 145 HE2 LYS 22 1HE LYS 22 -0.027 7.913 6.033 146 HE3 LYS 22 2HE LYS 22 -0.024 8.811 7.551 147 HZ1 LYS 22 3HZ LYS 22 2.033 6.821 6.759 148 HZ2 LYS 22 1HZ LYS 22 2.009 7.624 8.186 149 HZ3 LYS 22 2HZ LYS 22 2.229 8.438 6.791 150 H ALA 23 H ALA 23 -0.609 1.513 8.811 151 HA ALA 23 HA ALA 23 2.188 1.302 8.293 152 HB1 ALA 23 1HB ALA 23 0.349 -0.527 9.878 153 HB2 ALA 23 2HB ALA 23 2.120 -0.442 10.006 154 HB3 ALA 23 3HB ALA 23 1.136 0.955 10.489 155 H ASN 24 H ASN 24 -0.536 -0.619 7.024 156 HA ASN 24 HA ASN 24 1.112 -2.793 6.049 157 HB2 ASN 24 1HB ASN 24 -1.428 -2.744 6.547 158 HB3 ASN 24 2HB ASN 24 -1.606 -1.933 4.992 159 HD21 ASN 24 1HD2 ASN 24 -2.968 -3.805 4.562 160 HD22 ASN 24 2HD2 ASN 24 -2.228 -5.334 4.073 161 H LEU 25 H LEU 25 -0.104 0.272 4.640 162 HA LEU 25 HA LEU 25 1.179 -0.015 2.082 163 HB2 LEU 25 1HB LEU 25 -0.633 1.566 2.413 164 HB3 LEU 25 2HB LEU 25 0.264 2.413 3.674 165 HG LEU 25 HG LEU 25 1.959 3.147 2.032 166 HD11 LEU 25 1HD1 LEU 25 1.554 2.840 -0.378 167 HD12 LEU 25 2HD1 LEU 25 0.165 1.779 -0.019 168 HD13 LEU 25 3HD1 LEU 25 1.819 1.289 0.405 169 HD21 LEU 25 3HD2 LEU 25 0.566 4.733 0.820 170 HD22 LEU 25 1HD2 LEU 25 -0.012 4.550 2.485 171 HD23 LEU 25 2HD2 LEU 25 -0.874 3.751 1.151 172 H ASN 26 H ASN 26 2.281 1.410 5.208 173 HA ASN 26 HA ASN 26 4.816 2.321 4.350 174 HB2 ASN 26 1HB ASN 26 3.665 2.755 6.530 175 HB3 ASN 26 2HB ASN 26 4.089 1.126 7.050 176 HD21 ASN 26 1HD2 ASN 26 4.838 3.888 8.061 177 HD22 ASN 26 2HD2 ASN 26 6.590 3.813 8.149 178 H VAL 27 H VAL 27 3.986 -0.980 5.602 179 HA VAL 27 HA VAL 27 6.559 -2.137 5.071 180 HB VAL 27 HB VAL 27 3.797 -3.372 5.262 181 HG11 VAL 27 1HG1 VAL 27 6.500 -4.780 5.168 182 HG12 VAL 27 2HG1 VAL 27 4.972 -5.539 5.668 183 HG13 VAL 27 3HG1 VAL 27 5.160 -4.969 4.012 184 HG21 VAL 27 3HG2 VAL 27 4.706 -2.310 7.340 185 HG22 VAL 27 1HG2 VAL 27 4.573 -4.065 7.494 186 HG23 VAL 27 2HG2 VAL 27 6.159 -3.316 7.196 187 H HIS 28 H HIS 28 3.678 -1.828 2.933 188 HA HIS 28 HA HIS 28 4.791 -3.299 0.776 189 HB2 HIS 28 1HB HIS 28 2.422 -2.720 0.922 190 HB3 HIS 28 2HB HIS 28 2.789 -1.007 0.795 191 HD1 HIS 28 1HD HIS 28 2.565 -4.123 -1.418 192 HD2 HIS 28 2HD HIS 28 3.371 -0.004 -1.605 193 HE1 HIS 28 1HE HIS 28 2.617 -3.541 -3.889 194 H LEU 29 H LEU 29 5.095 0.175 1.587 195 HA LEU 29 HA LEU 29 6.691 0.901 -0.714 196 HB2 LEU 29 1HB LEU 29 6.436 2.121 2.034 197 HB3 LEU 29 2HB LEU 29 7.344 2.874 0.732 198 HG LEU 29 HG LEU 29 4.447 2.142 0.333 199 HD11 LEU 29 1HD1 LEU 29 5.727 4.613 1.587 200 HD12 LEU 29 2HD1 LEU 29 4.656 3.462 2.398 201 HD13 LEU 29 3HD1 LEU 29 3.998 4.516 1.121 202 HD21 LEU 29 3HD2 LEU 29 4.504 4.082 -1.217 203 HD22 LEU 29 1HD2 LEU 29 5.599 2.797 -1.714 204 HD23 LEU 29 2HD2 LEU 29 6.246 4.256 -0.926 205 H ARG 30 H ARG 30 7.573 -0.451 2.468 206 HA ARG 30 HA ARG 30 10.318 0.157 2.293 207 HB2 ARG 30 1HB ARG 30 8.909 -2.193 3.629 208 HB3 ARG 30 2HB ARG 30 10.646 -1.936 3.779 209 HG2 ARG 30 1HG ARG 30 10.362 0.182 4.885 210 HG3 ARG 30 2HG ARG 30 8.638 0.195 4.558 211 HD2 ARG 30 1HD ARG 30 8.558 -2.040 5.909 212 HD3 ARG 30 2HD ARG 30 10.177 -1.578 6.468 213 HE ARG 30 HE ARG 30 8.120 0.517 6.721 214 HH11 ARG 30 1HH1 ARG 30 9.510 -2.205 8.458 215 HH12 ARG 30 2HH1 ARG 30 8.936 -1.610 9.992 216 HH21 ARG 30 2HH2 ARG 30 7.463 1.196 8.628 217 HH22 ARG 30 1HH2 ARG 30 7.795 0.299 10.096 218 H LYS 31 H LYS 31 8.480 -2.099 0.468 219 HA LYS 31 HA LYS 31 10.747 -3.645 -0.618 220 HB2 LYS 31 1HB LYS 31 7.851 -3.508 -1.552 221 HB3 LYS 31 2HB LYS 31 9.070 -4.672 -2.062 222 HG2 LYS 31 1HG LYS 31 9.222 -5.566 0.237 223 HG3 LYS 31 2HG LYS 31 8.002 -4.402 0.787 224 HD2 LYS 31 1HD LYS 31 6.366 -5.352 -0.822 225 HD3 LYS 31 2HD LYS 31 7.544 -6.580 -1.302 226 HE2 LYS 31 1HE LYS 31 6.479 -6.176 1.536 227 HE3 LYS 31 2HE LYS 31 5.819 -7.335 0.381 228 HZ1 LYS 31 3HZ LYS 31 7.397 -8.415 1.850 229 HZ2 LYS 31 1HZ LYS 31 8.596 -7.393 1.435 230 HZ3 LYS 31 2HZ LYS 31 7.993 -8.441 0.334 231 H HIS 32 H HIS 32 8.945 -0.696 -1.486 232 HA HIS 32 HA HIS 32 10.211 -0.521 -4.135 233 HB2 HIS 32 1HB HIS 32 8.552 1.418 -2.485 234 HB3 HIS 32 2HB HIS 32 9.197 1.777 -4.084 235 HD1 HIS 32 1HD HIS 32 8.475 -0.582 -5.843 236 HD2 HIS 32 2HD HIS 32 6.021 0.878 -2.757 237 HE1 HIS 32 1HE HIS 32 6.132 -1.351 -6.406 238 H THR 33 H THR 33 10.822 0.892 -0.890 239 HA THR 33 HA THR 33 13.571 1.535 -1.758 240 HB THR 33 HB THR 33 12.327 3.551 -2.339 241 HG1 THR 33 1HG THR 33 13.693 4.937 -1.250 242 HG21 THR 33 3HG2 THR 33 11.365 5.032 -0.675 243 HG22 THR 33 1HG2 THR 33 11.727 3.886 0.632 244 HG23 THR 33 2HG2 THR 33 10.522 3.477 -0.608 245 H GLY 34 H GLY 34 15.072 1.660 -0.186 246 HA2 GLY 34 1HA GLY 34 14.483 1.725 2.664 247 HA3 GLY 34 2HA GLY 34 15.011 0.131 2.100 248 H GLU 35 H GLU 35 16.159 3.184 0.705 249 HA GLU 35 HA GLU 35 18.908 2.267 0.969 250 HB2 GLU 35 1HB GLU 35 17.843 4.862 -0.201 251 HB3 GLU 35 2HB GLU 35 19.455 4.190 -0.426 252 HG2 GLU 35 1HG GLU 35 16.828 3.056 -1.469 253 HG3 GLU 35 2HG GLU 35 18.113 3.796 -2.408 254 H LYS 36 H LYS 36 20.689 3.471 1.749 255 HA LYS 36 HA LYS 36 20.284 5.626 3.707 256 HB2 LYS 36 1HB LYS 36 21.462 4.471 5.500 257 HB3 LYS 36 2HB LYS 36 19.964 3.646 5.074 258 HG2 LYS 36 1HG LYS 36 21.267 1.938 3.796 259 HG3 LYS 36 2HG LYS 36 22.762 2.796 4.188 260 HD2 LYS 36 1HD LYS 36 22.550 0.907 5.654 261 HD3 LYS 36 2HD LYS 36 22.365 2.386 6.607 262 HE2 LYS 36 1HE LYS 36 19.895 2.101 6.571 263 HE3 LYS 36 2HE LYS 36 20.070 0.652 5.570 264 HZ1 LYS 36 3HZ LYS 36 19.806 0.088 7.918 265 HZ2 LYS 36 1HZ LYS 36 21.125 0.953 8.335 266 HZ3 LYS 36 2HZ LYS 36 21.282 -0.388 7.413 Start of MODEL 8 1 H1 GLY 1 1H GLY 1 -6.207 -12.169 -8.988 2 H2 GLY 1 2H GLY 1 -6.920 -13.213 -7.945 3 H3 GLY 1 3H GLY 1 -5.554 -12.420 -7.508 4 HA2 GLY 1 1HA GLY 1 -8.165 -11.156 -8.031 5 HA3 GLY 1 2HA GLY 1 -7.474 -11.444 -6.425 6 H SER 2 H SER 2 -8.257 -8.896 -7.592 7 HA SER 2 HA SER 2 -6.006 -7.388 -8.505 8 HB2 SER 2 1HB SER 2 -8.541 -6.413 -7.135 9 HB3 SER 2 2HB SER 2 -7.416 -5.431 -8.093 10 HG SER 2 HG SER 2 -9.229 -6.138 -9.327 11 H SER 3 H SER 3 -4.690 -5.865 -7.495 12 HA SER 3 HA SER 3 -3.765 -6.509 -4.878 13 HB2 SER 3 1HB SER 3 -3.126 -4.052 -6.547 14 HB3 SER 3 2HB SER 3 -2.150 -4.733 -5.231 15 HG SER 3 HG SER 3 -1.379 -5.400 -7.286 16 H GLY 4 H GLY 4 -6.293 -4.326 -5.763 17 HA2 GLY 4 1HA GLY 4 -6.990 -3.633 -3.108 18 HA3 GLY 4 2HA GLY 4 -6.037 -2.308 -3.786 19 H SER 5 H SER 5 -8.348 -1.510 -3.100 20 HA SER 5 HA SER 5 -9.920 -1.097 -5.596 21 HB2 SER 5 1HB SER 5 -11.097 -1.583 -2.828 22 HB3 SER 5 2HB SER 5 -12.002 -1.093 -4.273 23 HG SER 5 HG SER 5 -12.094 -3.362 -3.920 24 H SER 6 H SER 6 -10.646 1.003 -5.877 25 HA SER 6 HA SER 6 -9.033 3.015 -4.891 26 HB2 SER 6 1HB SER 6 -11.809 3.358 -6.085 27 HB3 SER 6 2HB SER 6 -10.507 4.564 -6.066 28 HG SER 6 HG SER 6 -10.605 3.420 -8.061 29 H GLY 7 H GLY 7 -12.037 1.956 -3.409 30 HA2 GLY 7 1HA GLY 7 -12.571 4.308 -1.822 31 HA3 GLY 7 2HA GLY 7 -13.237 2.691 -1.588 32 H LYS 8 H LYS 8 -10.229 1.751 -1.384 33 HA LYS 8 HA LYS 8 -9.889 2.130 1.524 34 HB2 LYS 8 1HB LYS 8 -8.390 0.622 -0.629 35 HB3 LYS 8 2HB LYS 8 -7.707 0.852 0.976 36 HG2 LYS 8 1HG LYS 8 -9.610 -0.249 2.029 37 HG3 LYS 8 2HG LYS 8 -10.441 -0.383 0.469 38 HD2 LYS 8 1HD LYS 8 -8.638 -1.860 -0.378 39 HD3 LYS 8 2HD LYS 8 -7.791 -1.721 1.177 40 HE2 LYS 8 1HE LYS 8 -9.748 -2.711 2.338 41 HE3 LYS 8 2HE LYS 8 -10.607 -2.836 0.799 42 HZ1 LYS 8 3HZ LYS 8 -8.070 -4.254 1.441 43 HZ2 LYS 8 1HZ LYS 8 -8.888 -4.379 0.029 44 HZ3 LYS 8 2HZ LYS 8 -9.551 -4.939 1.408 45 HA PRO 9 HA PRO 9 -7.864 5.944 0.731 46 HB2 PRO 9 1HB PRO 9 -6.980 6.664 3.214 47 HB3 PRO 9 2HB PRO 9 -8.703 6.589 2.761 48 HG2 PRO 9 1HG PRO 9 -7.070 4.524 4.227 49 HG3 PRO 9 2HG PRO 9 -8.695 5.115 4.641 50 HD2 PRO 9 1HD PRO 9 -8.237 2.770 3.255 51 HD3 PRO 9 2HD PRO 9 -9.677 3.775 3.014 52 H TYR 10 H TYR 10 -5.835 3.554 2.525 53 HA TYR 10 HA TYR 10 -3.430 5.073 1.916 54 HB2 TYR 10 1HB TYR 10 -3.733 2.380 3.272 55 HB3 TYR 10 2HB TYR 10 -2.280 3.365 3.205 56 HD1 TYR 10 2HD TYR 10 -2.281 5.671 4.306 57 HD2 TYR 10 1HD TYR 10 -5.477 2.830 4.871 58 HE1 TYR 10 2HE TYR 10 -3.057 6.933 6.307 59 HE2 TYR 10 1HE TYR 10 -6.202 4.043 6.905 60 HH TYR 10 HH TYR 10 -4.575 7.039 8.025 61 H LYS 11 H LYS 11 -3.098 5.093 -0.223 62 HA LYS 11 HA LYS 11 -2.938 2.540 -1.779 63 HB2 LYS 11 1HB LYS 11 -3.788 5.359 -2.497 64 HB3 LYS 11 2HB LYS 11 -3.322 4.191 -3.744 65 HG2 LYS 11 1HG LYS 11 -5.002 2.654 -3.149 66 HG3 LYS 11 2HG LYS 11 -5.398 3.475 -1.640 67 HD2 LYS 11 1HD LYS 11 -5.907 4.643 -4.410 68 HD3 LYS 11 2HD LYS 11 -7.087 3.736 -3.446 69 HE2 LYS 11 1HE LYS 11 -6.710 5.414 -1.571 70 HE3 LYS 11 2HE LYS 11 -5.797 6.400 -2.721 71 HZ1 LYS 11 3HZ LYS 11 -8.130 7.077 -2.623 72 HZ2 LYS 11 1HZ LYS 11 -8.650 5.577 -3.017 73 HZ3 LYS 11 2HZ LYS 11 -7.821 6.479 -4.110 74 H CYS 12 H CYS 12 -1.312 2.069 -3.112 75 HA CYS 12 HA CYS 12 1.280 3.126 -2.465 76 HB2 CYS 12 1HB CYS 12 0.933 0.796 -2.925 77 HB3 CYS 12 2HB CYS 12 0.341 1.159 -4.558 78 HA PRO 13 HA PRO 13 1.428 6.284 -5.701 79 HB2 PRO 13 1HB PRO 13 4.063 6.992 -5.538 80 HB3 PRO 13 2HB PRO 13 2.867 7.403 -4.273 81 HG2 PRO 13 1HG PRO 13 4.816 5.077 -4.317 82 HG3 PRO 13 2HG PRO 13 4.508 6.238 -2.986 83 HD2 PRO 13 1HD PRO 13 3.325 3.780 -3.106 84 HD3 PRO 13 2HD PRO 13 2.460 5.190 -2.433 85 H GLN 14 H GLN 14 2.954 3.194 -5.848 86 HA GLN 14 HA GLN 14 3.709 3.614 -8.725 87 HB2 GLN 14 1HB GLN 14 5.005 1.781 -6.678 88 HB3 GLN 14 2HB GLN 14 5.388 1.848 -8.405 89 HG2 GLN 14 1HG GLN 14 5.993 4.288 -8.112 90 HG3 GLN 14 2HG GLN 14 5.767 4.088 -6.373 91 HE21 GLN 14 1HE2 GLN 14 8.101 4.874 -6.392 92 HE22 GLN 14 2HE2 GLN 14 9.341 3.646 -6.606 93 H CYS 15 H CYS 15 1.905 1.545 -6.517 94 HA CYS 15 HA CYS 15 1.229 -0.302 -8.785 95 HB2 CYS 15 1HB CYS 15 0.836 -0.892 -5.850 96 HB3 CYS 15 2HB CYS 15 0.875 -2.024 -7.199 97 H SER 16 H SER 16 -0.899 -1.448 -8.442 98 HA SER 16 HA SER 16 -3.151 0.399 -7.883 99 HB2 SER 16 1HB SER 16 -3.134 -2.496 -8.817 100 HB3 SER 16 2HB SER 16 -4.572 -1.475 -8.632 101 HG SER 16 HG SER 16 -2.362 -0.962 -10.371 102 H TYR 17 H TYR 17 -1.167 -1.029 -5.857 103 HA TYR 17 HA TYR 17 -2.732 -2.617 -4.067 104 HB2 TYR 17 1HB TYR 17 -0.322 -2.741 -4.098 105 HB3 TYR 17 2HB TYR 17 -0.177 -1.033 -3.723 106 HD1 TYR 17 1HD TYR 17 -0.656 -0.154 -1.441 107 HD2 TYR 17 2HD TYR 17 -0.843 -4.376 -2.353 108 HE1 TYR 17 1HE TYR 17 -0.682 -0.681 0.982 109 HE2 TYR 17 2HE TYR 17 -0.800 -4.892 0.083 110 HH TYR 17 HH TYR 17 -0.708 -4.036 2.197 111 H ALA 18 H ALA 18 -4.052 -2.106 -2.421 112 HA ALA 18 HA ALA 18 -4.034 0.597 -1.267 113 HB1 ALA 18 1HB ALA 18 -6.657 -0.610 -2.199 114 HB2 ALA 18 2HB ALA 18 -6.341 1.033 -1.597 115 HB3 ALA 18 3HB ALA 18 -5.724 0.536 -3.183 116 H SER 19 H SER 19 -4.642 0.701 0.841 117 HA SER 19 HA SER 19 -5.618 -1.747 2.255 118 HB2 SER 19 1HB SER 19 -3.173 -1.637 2.437 119 HB3 SER 19 2HB SER 19 -3.283 0.024 3.052 120 HG SER 19 HG SER 19 -3.313 -1.021 4.880 121 H ALA 20 H ALA 20 -6.654 -1.396 4.224 122 HA ALA 20 HA ALA 20 -7.871 1.266 4.688 123 HB1 ALA 20 1HB ALA 20 -9.324 -0.713 4.614 124 HB2 ALA 20 2HB ALA 20 -8.409 -1.448 5.954 125 HB3 ALA 20 3HB ALA 20 -9.343 0.041 6.217 126 H ILE 21 H ILE 21 -5.054 -0.252 5.579 127 HA ILE 21 HA ILE 21 -4.792 1.222 8.172 128 HB ILE 21 HB ILE 21 -3.643 -1.520 7.519 129 HG12 ILE 21 1HG1 ILE 21 -5.936 -0.835 9.414 130 HG13 ILE 21 2HG1 ILE 21 -6.099 -1.656 7.860 131 HG21 ILE 21 1HG2 ILE 21 -3.625 0.076 10.128 132 HG22 ILE 21 2HG2 ILE 21 -2.922 -1.537 9.886 133 HG23 ILE 21 3HG2 ILE 21 -2.224 -0.169 9.059 134 HD11 ILE 21 3HD1 ILE 21 -6.187 -3.349 9.507 135 HD12 ILE 21 1HD1 ILE 21 -4.603 -3.492 8.713 136 HD13 ILE 21 2HD1 ILE 21 -4.738 -2.758 10.331 137 H LYS 22 H LYS 22 -3.098 2.565 8.249 138 HA LYS 22 HA LYS 22 -1.439 3.124 6.015 139 HB2 LYS 22 1HB LYS 22 -2.156 4.669 7.901 140 HB3 LYS 22 2HB LYS 22 -0.937 3.908 8.922 141 HG2 LYS 22 1HG LYS 22 0.843 4.630 7.347 142 HG3 LYS 22 2HG LYS 22 -0.384 5.326 6.270 143 HD2 LYS 22 1HD LYS 22 -1.063 6.900 8.073 144 HD3 LYS 22 2HD LYS 22 0.173 6.200 9.142 145 HE2 LYS 22 1HE LYS 22 1.939 6.855 7.514 146 HE3 LYS 22 2HE LYS 22 0.707 7.553 6.456 147 HZ1 LYS 22 3HZ LYS 22 1.744 9.253 7.845 148 HZ2 LYS 22 1HZ LYS 22 1.305 8.487 9.215 149 HZ3 LYS 22 2HZ LYS 22 0.166 9.132 8.235 150 H ALA 23 H ALA 23 -0.663 1.264 8.956 151 HA ALA 23 HA ALA 23 2.114 0.960 8.472 152 HB1 ALA 23 1HB ALA 23 1.017 0.576 10.631 153 HB2 ALA 23 2HB ALA 23 0.188 -0.859 9.964 154 HB3 ALA 23 3HB ALA 23 1.960 -0.840 10.127 155 H ASN 24 H ASN 24 -0.625 -0.912 7.192 156 HA ASN 24 HA ASN 24 0.882 -3.093 6.084 157 HB2 ASN 24 1HB ASN 24 -1.693 -2.733 6.514 158 HB3 ASN 24 2HB ASN 24 -1.650 -1.896 4.962 159 HD21 ASN 24 1HD2 ASN 24 -3.269 -3.513 4.409 160 HD22 ASN 24 2HD2 ASN 24 -2.735 -5.121 3.919 161 H LEU 25 H LEU 25 -0.144 0.088 4.746 162 HA LEU 25 HA LEU 25 1.154 -0.201 2.195 163 HB2 LEU 25 1HB LEU 25 -0.657 1.408 2.548 164 HB3 LEU 25 2HB LEU 25 0.284 2.251 3.779 165 HG LEU 25 HG LEU 25 1.982 2.875 2.065 166 HD11 LEU 25 1HD1 LEU 25 1.434 2.608 -0.326 167 HD12 LEU 25 2HD1 LEU 25 0.001 1.641 0.109 168 HD13 LEU 25 3HD1 LEU 25 1.640 1.039 0.450 169 HD21 LEU 25 3HD2 LEU 25 -0.826 3.688 1.299 170 HD22 LEU 25 1HD2 LEU 25 0.671 4.562 0.930 171 HD23 LEU 25 2HD2 LEU 25 0.133 4.406 2.613 172 H ASN 26 H ASN 26 2.238 1.190 5.332 173 HA ASN 26 HA ASN 26 4.773 2.132 4.526 174 HB2 ASN 26 1HB ASN 26 3.659 2.541 6.689 175 HB3 ASN 26 2HB ASN 26 3.934 0.869 7.160 176 HD21 ASN 26 1HD2 ASN 26 4.839 3.497 8.340 177 HD22 ASN 26 2HD2 ASN 26 6.571 3.265 8.517 178 H VAL 27 H VAL 27 3.960 -1.216 5.671 179 HA VAL 27 HA VAL 27 6.550 -2.325 5.139 180 HB VAL 27 HB VAL 27 3.806 -3.607 5.255 181 HG11 VAL 27 1HG1 VAL 27 5.217 -5.130 3.955 182 HG12 VAL 27 2HG1 VAL 27 6.535 -4.962 5.140 183 HG13 VAL 27 3HG1 VAL 27 5.013 -5.768 5.586 184 HG21 VAL 27 3HG2 VAL 27 6.144 -3.573 7.218 185 HG22 VAL 27 1HG2 VAL 27 4.666 -2.603 7.376 186 HG23 VAL 27 2HG2 VAL 27 4.570 -4.364 7.469 187 H HIS 28 H HIS 28 3.685 -2.007 2.982 188 HA HIS 28 HA HIS 28 4.834 -3.403 0.789 189 HB2 HIS 28 1HB HIS 28 2.450 -2.881 0.965 190 HB3 HIS 28 2HB HIS 28 2.778 -1.159 0.860 191 HD1 HIS 28 1HD HIS 28 2.650 -4.254 -1.390 192 HD2 HIS 28 2HD HIS 28 3.298 -0.105 -1.528 193 HE1 HIS 28 1HE HIS 28 2.677 -3.644 -3.854 194 H LEU 29 H LEU 29 5.060 0.054 1.683 195 HA LEU 29 HA LEU 29 6.558 0.891 -0.640 196 HB2 LEU 29 1HB LEU 29 6.315 2.041 2.140 197 HB3 LEU 29 2HB LEU 29 7.158 2.864 0.830 198 HG LEU 29 HG LEU 29 4.294 2.002 0.491 199 HD11 LEU 29 1HD1 LEU 29 5.504 4.513 1.736 200 HD12 LEU 29 2HD1 LEU 29 4.502 3.311 2.562 201 HD13 LEU 29 3HD1 LEU 29 3.769 4.354 1.314 202 HD21 LEU 29 3HD2 LEU 29 5.957 4.202 -0.802 203 HD22 LEU 29 1HD2 LEU 29 4.214 3.960 -1.030 204 HD23 LEU 29 2HD2 LEU 29 5.339 2.726 -1.583 205 H ARG 30 H ARG 30 7.613 -0.504 2.454 206 HA ARG 30 HA ARG 30 10.302 0.296 2.304 207 HB2 ARG 30 1HB ARG 30 9.114 -2.311 3.352 208 HB3 ARG 30 2HB ARG 30 10.817 -1.905 3.555 209 HG2 ARG 30 1HG ARG 30 10.340 -0.001 4.927 210 HG3 ARG 30 2HG ARG 30 8.631 -0.050 4.527 211 HD2 ARG 30 1HD ARG 30 8.653 -2.441 5.589 212 HD3 ARG 30 2HD ARG 30 10.202 -1.936 6.291 213 HE ARG 30 HE ARG 30 8.057 0.013 6.698 214 HH11 ARG 30 2HH1 ARG 30 9.312 -2.966 8.085 215 HH12 ARG 30 1HH1 ARG 30 8.568 -2.642 9.627 216 HH21 ARG 30 2HH2 ARG 30 7.193 0.354 8.604 217 HH22 ARG 30 1HH2 ARG 30 7.385 -0.777 9.932 218 H LYS 31 H LYS 31 8.622 -2.020 0.369 219 HA LYS 31 HA LYS 31 10.952 -3.290 -0.885 220 HB2 LYS 31 1HB LYS 31 8.016 -3.283 -1.704 221 HB3 LYS 31 2HB LYS 31 9.279 -4.328 -2.351 222 HG2 LYS 31 1HG LYS 31 9.602 -5.374 -0.142 223 HG3 LYS 31 2HG LYS 31 8.364 -4.320 0.568 224 HD2 LYS 31 1HD LYS 31 6.645 -5.276 -0.903 225 HD3 LYS 31 2HD LYS 31 7.865 -6.322 -1.672 226 HE2 LYS 31 1HE LYS 31 8.345 -7.350 0.555 227 HE3 LYS 31 2HE LYS 31 7.089 -6.339 1.284 228 HZ1 LYS 31 3HZ LYS 31 6.247 -8.553 0.738 229 HZ2 LYS 31 1HZ LYS 31 6.629 -8.376 -0.836 230 HZ3 LYS 31 2HZ LYS 31 5.462 -7.446 -0.168 231 H HIS 32 H HIS 32 8.959 -0.421 -1.510 232 HA HIS 32 HA HIS 32 10.157 0.024 -4.166 233 HB2 HIS 32 1HB HIS 32 8.314 1.658 -2.391 234 HB3 HIS 32 2HB HIS 32 8.880 2.182 -3.981 235 HD1 HIS 32 1HD HIS 32 8.397 -0.112 -5.870 236 HD2 HIS 32 2HD HIS 32 5.865 0.816 -2.647 237 HE1 HIS 32 1HE HIS 32 6.186 -1.219 -6.400 238 H THR 33 H THR 33 10.676 1.254 -0.823 239 HA THR 33 HA THR 33 12.661 3.208 -1.709 240 HB THR 33 HB THR 33 13.087 3.557 0.687 241 HG1 THR 33 1HG THR 33 11.849 2.468 2.179 242 HG21 THR 33 3HG2 THR 33 10.905 4.485 1.269 243 HG22 THR 33 1HG2 THR 33 10.106 3.490 0.034 244 HG23 THR 33 2HG2 THR 33 11.237 4.776 -0.446 245 H GLY 34 H GLY 34 12.843 -0.062 -0.279 246 HA2 GLY 34 1HA GLY 34 14.512 -1.641 -0.421 247 HA3 GLY 34 2HA GLY 34 15.314 -0.629 -1.616 248 H GLU 35 H GLU 35 17.270 -1.430 -0.659 249 HA GLU 35 HA GLU 35 18.053 -0.238 1.971 250 HB2 GLU 35 1HB GLU 35 19.150 -2.662 0.501 251 HB3 GLU 35 2HB GLU 35 19.748 -2.039 2.043 252 HG2 GLU 35 1HG GLU 35 17.503 -2.410 3.061 253 HG3 GLU 35 2HG GLU 35 16.949 -3.135 1.549 254 H LYS 36 H LYS 36 18.363 0.630 -1.118 255 HA LYS 36 HA LYS 36 20.899 2.079 -0.708 256 HB2 LYS 36 1HB LYS 36 21.565 -0.055 -1.794 257 HB3 LYS 36 2HB LYS 36 20.410 0.237 -3.091 258 HG2 LYS 36 1HG LYS 36 22.644 0.766 -3.842 259 HG3 LYS 36 2HG LYS 36 21.680 2.240 -3.795 260 HD2 LYS 36 1HD LYS 36 22.781 2.881 -1.637 261 HD3 LYS 36 2HD LYS 36 23.671 1.355 -1.655 262 HE2 LYS 36 1HE LYS 36 25.163 3.051 -2.420 263 HE3 LYS 36 2HE LYS 36 24.754 2.041 -3.808 264 HZ1 LYS 36 3HZ LYS 36 23.523 4.683 -3.200 265 HZ2 LYS 36 1HZ LYS 36 23.181 3.769 -4.512 266 HZ3 LYS 36 2HZ LYS 36 24.664 4.422 -4.337 Start of MODEL 9 1 H1 GLY 1 1H GLY 1 -17.878 -2.270 -5.895 2 H2 GLY 1 2H GLY 1 -17.646 -3.865 -5.618 3 H3 GLY 1 3H GLY 1 -18.513 -2.966 -4.554 4 HA2 GLY 1 1HA GLY 1 -19.301 -3.555 -7.337 5 HA3 GLY 1 2HA GLY 1 -19.982 -4.345 -5.903 6 H SER 2 H SER 2 -21.648 -3.339 -4.800 7 HA SER 2 HA SER 2 -23.053 -1.138 -5.922 8 HB2 SER 2 1HB SER 2 -23.157 -2.203 -3.074 9 HB3 SER 2 2HB SER 2 -24.374 -1.176 -3.860 10 HG SER 2 HG SER 2 -24.935 -3.408 -3.944 11 H SER 3 H SER 3 -23.097 1.026 -5.501 12 HA SER 3 HA SER 3 -22.204 3.061 -5.145 13 HB2 SER 3 1HB SER 3 -21.602 2.061 -2.350 14 HB3 SER 3 2HB SER 3 -21.701 3.752 -2.874 15 HG SER 3 HG SER 3 -23.667 3.017 -1.937 16 H GLY 4 H GLY 4 -20.400 1.121 -6.328 17 HA2 GLY 4 1HA GLY 4 -18.362 1.577 -7.403 18 HA3 GLY 4 2HA GLY 4 -17.922 2.722 -6.146 19 H SER 5 H SER 5 -15.861 1.569 -6.544 20 HA SER 5 HA SER 5 -15.416 -0.724 -4.697 21 HB2 SER 5 1HB SER 5 -14.569 -0.636 -7.623 22 HB3 SER 5 2HB SER 5 -14.023 -1.839 -6.442 23 HG SER 5 HG SER 5 -15.812 -2.530 -7.749 24 H SER 6 H SER 6 -13.093 -1.125 -4.329 25 HA SER 6 HA SER 6 -11.069 -0.464 -3.576 26 HB2 SER 6 1HB SER 6 -10.960 1.037 -6.204 27 HB3 SER 6 2HB SER 6 -9.578 0.515 -5.221 28 HG SER 6 HG SER 6 -10.057 -0.967 -6.918 29 H GLY 7 H GLY 7 -13.048 1.092 -2.398 30 HA2 GLY 7 1HA GLY 7 -12.323 3.894 -2.291 31 HA3 GLY 7 2HA GLY 7 -13.452 3.043 -1.240 32 H LYS 8 H LYS 8 -10.625 1.332 -0.994 33 HA LYS 8 HA LYS 8 -9.942 2.079 1.658 34 HB2 LYS 8 1HB LYS 8 -8.529 0.557 -0.548 35 HB3 LYS 8 2HB LYS 8 -7.740 0.838 1.003 36 HG2 LYS 8 1HG LYS 8 -9.516 -0.307 2.207 37 HG3 LYS 8 2HG LYS 8 -10.473 -0.475 0.726 38 HD2 LYS 8 1HD LYS 8 -8.705 -1.903 -0.270 39 HD3 LYS 8 2HD LYS 8 -7.739 -1.742 1.212 40 HE2 LYS 8 1HE LYS 8 -9.553 -2.800 2.525 41 HE3 LYS 8 2HE LYS 8 -10.550 -2.925 1.069 42 HZ1 LYS 8 3HZ LYS 8 -8.869 -4.408 0.117 43 HZ2 LYS 8 1HZ LYS 8 -9.396 -5.010 1.536 44 HZ3 LYS 8 2HZ LYS 8 -7.935 -4.291 1.453 45 HA PRO 9 HA PRO 9 -7.976 5.891 0.675 46 HB2 PRO 9 1HB PRO 9 -7.103 6.740 3.113 47 HB3 PRO 9 2HB PRO 9 -8.829 6.583 2.691 48 HG2 PRO 9 1HG PRO 9 -7.094 4.630 4.200 49 HG3 PRO 9 2HG PRO 9 -8.725 5.191 4.638 50 HD2 PRO 9 1HD PRO 9 -8.245 2.810 3.326 51 HD3 PRO 9 2HD PRO 9 -9.716 3.773 3.078 52 H TYR 10 H TYR 10 -5.883 3.586 2.498 53 HA TYR 10 HA TYR 10 -3.518 5.164 1.860 54 HB2 TYR 10 1HB TYR 10 -3.758 2.472 3.237 55 HB3 TYR 10 2HB TYR 10 -2.321 3.477 3.154 56 HD1 TYR 10 2HD TYR 10 -2.352 5.792 4.243 57 HD2 TYR 10 1HD TYR 10 -5.481 2.884 4.860 58 HE1 TYR 10 2HE TYR 10 -3.131 7.039 6.260 59 HE2 TYR 10 1HE TYR 10 -6.214 4.089 6.886 60 HH TYR 10 HH TYR 10 -5.876 5.903 8.265 61 H LYS 11 H LYS 11 -3.084 5.146 -0.298 62 HA LYS 11 HA LYS 11 -2.897 2.532 -1.742 63 HB2 LYS 11 1HB LYS 11 -3.429 5.287 -2.905 64 HB3 LYS 11 2HB LYS 11 -3.315 3.759 -3.793 65 HG2 LYS 11 1HG LYS 11 -5.204 2.905 -2.265 66 HG3 LYS 11 2HG LYS 11 -5.437 4.585 -1.777 67 HD2 LYS 11 1HD LYS 11 -5.858 5.219 -4.133 68 HD3 LYS 11 2HD LYS 11 -5.592 3.532 -4.638 69 HE2 LYS 11 1HE LYS 11 -7.448 2.815 -3.119 70 HE3 LYS 11 2HE LYS 11 -7.747 4.501 -2.703 71 HZ1 LYS 11 3HZ LYS 11 -8.368 4.929 -4.988 72 HZ2 LYS 11 1HZ LYS 11 -9.231 3.641 -4.441 73 HZ3 LYS 11 2HZ LYS 11 -7.970 3.411 -5.457 74 H CYS 12 H CYS 12 -1.270 2.045 -3.112 75 HA CYS 12 HA CYS 12 1.348 3.077 -2.458 76 HB2 CYS 12 1HB CYS 12 0.955 0.739 -2.925 77 HB3 CYS 12 2HB CYS 12 0.407 1.122 -4.567 78 HA PRO 13 HA PRO 13 1.470 6.200 -5.749 79 HB2 PRO 13 1HB PRO 13 4.103 6.923 -5.588 80 HB3 PRO 13 2HB PRO 13 2.889 7.377 -4.357 81 HG2 PRO 13 1HG PRO 13 4.875 5.100 -4.259 82 HG3 PRO 13 2HG PRO 13 4.482 6.288 -2.979 83 HD2 PRO 13 1HD PRO 13 3.380 3.775 -3.094 84 HD3 PRO 13 2HD PRO 13 2.486 5.172 -2.430 85 H GLN 14 H GLN 14 3.073 3.139 -5.753 86 HA GLN 14 HA GLN 14 4.019 3.483 -8.577 87 HB2 GLN 14 1HB GLN 14 4.863 1.328 -6.637 88 HB3 GLN 14 2HB GLN 14 5.609 1.748 -8.167 89 HG2 GLN 14 1HG GLN 14 5.627 3.438 -5.624 90 HG3 GLN 14 2HG GLN 14 6.943 2.449 -6.218 91 HE21 GLN 14 1HE2 GLN 14 7.593 4.994 -5.692 92 HE22 GLN 14 2HE2 GLN 14 7.783 5.898 -7.190 93 H CYS 15 H CYS 15 1.984 1.500 -6.487 94 HA CYS 15 HA CYS 15 1.290 -0.307 -8.777 95 HB2 CYS 15 1HB CYS 15 0.865 -0.912 -5.849 96 HB3 CYS 15 2HB CYS 15 0.900 -2.035 -7.203 97 H SER 16 H SER 16 -0.877 -1.391 -8.510 98 HA SER 16 HA SER 16 -3.094 0.463 -7.990 99 HB2 SER 16 1HB SER 16 -3.154 -2.507 -8.634 100 HB3 SER 16 2HB SER 16 -4.517 -1.380 -8.715 101 HG SER 16 HG SER 16 -3.435 -0.268 -10.390 102 H TYR 17 H TYR 17 -1.157 -1.094 -5.882 103 HA TYR 17 HA TYR 17 -2.804 -2.554 -4.101 104 HB2 TYR 17 1HB TYR 17 -0.395 -2.741 -4.106 105 HB3 TYR 17 2HB TYR 17 -0.207 -1.040 -3.725 106 HD1 TYR 17 1HD TYR 17 -0.700 -0.153 -1.435 107 HD2 TYR 17 2HD TYR 17 -0.906 -4.370 -2.366 108 HE1 TYR 17 1HE TYR 17 -0.710 -0.691 0.984 109 HE2 TYR 17 2HE TYR 17 -0.851 -4.897 0.067 110 HH TYR 17 HH TYR 17 -0.739 -4.052 2.185 111 H ALA 18 H ALA 18 -4.104 -2.024 -2.451 112 HA ALA 18 HA ALA 18 -4.043 0.661 -1.259 113 HB1 ALA 18 1HB ALA 18 -6.438 0.985 -1.490 114 HB2 ALA 18 2HB ALA 18 -5.713 0.763 -3.095 115 HB3 ALA 18 3HB ALA 18 -6.610 -0.573 -2.335 116 H SER 19 H SER 19 -4.672 0.753 0.855 117 HA SER 19 HA SER 19 -5.603 -1.717 2.260 118 HB2 SER 19 1HB SER 19 -3.157 -1.582 2.428 119 HB3 SER 19 2HB SER 19 -3.281 0.067 3.068 120 HG SER 19 HG SER 19 -3.287 -1.010 4.877 121 H ALA 20 H ALA 20 -6.602 -1.388 4.258 122 HA ALA 20 HA ALA 20 -7.870 1.246 4.748 123 HB1 ALA 20 1HB ALA 20 -8.305 -1.479 6.035 124 HB2 ALA 20 2HB ALA 20 -9.275 -0.018 6.313 125 HB3 ALA 20 3HB ALA 20 -9.272 -0.781 4.713 126 H ILE 21 H ILE 21 -5.017 -0.255 5.617 127 HA ILE 21 HA ILE 21 -4.736 1.270 8.178 128 HB ILE 21 HB ILE 21 -3.596 -1.488 7.581 129 HG12 ILE 21 1HG1 ILE 21 -5.886 -0.757 9.460 130 HG13 ILE 21 2HG1 ILE 21 -6.049 -1.618 7.929 131 HG21 ILE 21 1HG2 ILE 21 -2.866 -1.453 9.944 132 HG22 ILE 21 2HG2 ILE 21 -2.177 -0.098 9.089 133 HG23 ILE 21 3HG2 ILE 21 -3.574 0.161 10.156 134 HD11 ILE 21 3HD1 ILE 21 -4.558 -3.434 8.829 135 HD12 ILE 21 1HD1 ILE 21 -4.689 -2.656 10.427 136 HD13 ILE 21 2HD1 ILE 21 -6.140 -3.266 9.621 137 H LYS 22 H LYS 22 -3.056 2.627 8.195 138 HA LYS 22 HA LYS 22 -1.404 3.106 5.935 139 HB2 LYS 22 1HB LYS 22 -2.131 4.718 7.762 140 HB3 LYS 22 2HB LYS 22 -0.895 4.014 8.803 141 HG2 LYS 22 1HG LYS 22 0.864 4.689 7.185 142 HG3 LYS 22 2HG LYS 22 -0.379 5.322 6.089 143 HD2 LYS 22 1HD LYS 22 -1.065 6.963 7.833 144 HD3 LYS 22 2HD LYS 22 0.195 6.330 8.914 145 HE2 LYS 22 1HE LYS 22 1.930 6.936 7.239 146 HE3 LYS 22 2HE LYS 22 0.678 7.568 6.164 147 HZ1 LYS 22 3HZ LYS 22 1.292 8.634 8.872 148 HZ2 LYS 22 1HZ LYS 22 0.133 9.218 7.878 149 HZ3 LYS 22 2HZ LYS 22 1.705 9.344 7.463 150 H ALA 23 H ALA 23 -0.643 1.314 8.921 151 HA ALA 23 HA ALA 23 2.138 0.988 8.446 152 HB1 ALA 23 1HB ALA 23 0.201 -0.788 9.974 153 HB2 ALA 23 2HB ALA 23 1.973 -0.778 10.134 154 HB3 ALA 23 3HB ALA 23 1.040 0.654 10.613 155 H ASN 24 H ASN 24 -0.618 -0.877 7.186 156 HA ASN 24 HA ASN 24 0.885 -3.083 6.110 157 HB2 ASN 24 1HB ASN 24 -1.697 -2.708 6.524 158 HB3 ASN 24 2HB ASN 24 -1.637 -1.893 4.964 159 HD21 ASN 24 1HD2 ASN 24 -3.261 -3.512 4.419 160 HD22 ASN 24 2HD2 ASN 24 -2.727 -5.126 3.950 161 H LEU 25 H LEU 25 -0.148 0.082 4.748 162 HA LEU 25 HA LEU 25 1.130 -0.216 2.192 163 HB2 LEU 25 1HB LEU 25 -0.671 1.399 2.562 164 HB3 LEU 25 2HB LEU 25 0.285 2.244 3.779 165 HG LEU 25 HG LEU 25 1.964 2.860 2.046 166 HD11 LEU 25 1HD1 LEU 25 1.597 1.017 0.438 167 HD12 LEU 25 2HD1 LEU 25 1.391 2.587 -0.334 168 HD13 LEU 25 3HD1 LEU 25 -0.042 1.628 0.114 169 HD21 LEU 25 3HD2 LEU 25 0.644 4.545 0.923 170 HD22 LEU 25 1HD2 LEU 25 0.114 4.390 2.608 171 HD23 LEU 25 2HD2 LEU 25 -0.849 3.669 1.296 172 H ASN 26 H ASN 26 2.253 1.170 5.316 173 HA ASN 26 HA ASN 26 4.789 2.094 4.491 174 HB2 ASN 26 1HB ASN 26 3.682 2.515 6.662 175 HB3 ASN 26 2HB ASN 26 3.965 0.846 7.141 176 HD21 ASN 26 1HD2 ASN 26 4.885 3.503 8.272 177 HD22 ASN 26 2HD2 ASN 26 6.617 3.264 8.440 178 H VAL 27 H VAL 27 3.968 -1.240 5.677 179 HA VAL 27 HA VAL 27 6.546 -2.364 5.134 180 HB VAL 27 HB VAL 27 3.797 -3.633 5.275 181 HG11 VAL 27 1HG1 VAL 27 6.517 -5.005 5.149 182 HG12 VAL 27 2HG1 VAL 27 4.994 -5.799 5.609 183 HG13 VAL 27 3HG1 VAL 27 5.191 -5.171 3.974 184 HG21 VAL 27 3HG2 VAL 27 6.144 -3.597 7.223 185 HG22 VAL 27 1HG2 VAL 27 4.672 -2.622 7.383 186 HG23 VAL 27 2HG2 VAL 27 4.571 -4.381 7.488 187 H HIS 28 H HIS 28 3.668 -2.057 2.995 188 HA HIS 28 HA HIS 28 4.798 -3.470 0.802 189 HB2 HIS 28 1HB HIS 28 2.416 -2.949 0.993 190 HB3 HIS 28 2HB HIS 28 2.742 -1.226 0.879 191 HD1 HIS 28 1HD HIS 28 2.538 -4.320 -1.358 192 HD2 HIS 28 2HD HIS 28 3.315 -0.194 -1.516 193 HE1 HIS 28 1HE HIS 28 2.573 -3.718 -3.825 194 H LEU 29 H LEU 29 5.026 -0.002 1.662 195 HA LEU 29 HA LEU 29 6.498 0.829 -0.675 196 HB2 LEU 29 1HB LEU 29 6.272 1.955 2.115 197 HB3 LEU 29 2HB LEU 29 7.169 2.778 0.846 198 HG LEU 29 HG LEU 29 4.311 1.977 0.403 199 HD11 LEU 29 1HD1 LEU 29 5.499 4.454 1.747 200 HD12 LEU 29 2HD1 LEU 29 4.458 3.248 2.517 201 HD13 LEU 29 3HD1 LEU 29 3.779 4.322 1.268 202 HD21 LEU 29 3HD2 LEU 29 4.319 3.999 -1.055 203 HD22 LEU 29 1HD2 LEU 29 5.433 2.752 -1.609 204 HD23 LEU 29 2HD2 LEU 29 6.058 4.187 -0.760 205 H ARG 30 H ARG 30 7.604 -0.548 2.409 206 HA ARG 30 HA ARG 30 10.288 0.256 2.233 207 HB2 ARG 30 1HB ARG 30 9.115 -2.353 3.292 208 HB3 ARG 30 2HB ARG 30 10.817 -1.938 3.491 209 HG2 ARG 30 1HG ARG 30 10.334 -0.036 4.860 210 HG3 ARG 30 2HG ARG 30 8.626 -0.091 4.464 211 HD2 ARG 30 1HD ARG 30 8.653 -2.477 5.530 212 HD3 ARG 30 2HD ARG 30 10.208 -1.977 6.222 213 HE ARG 30 HE ARG 30 8.071 -0.023 6.644 214 HH11 ARG 30 1HH1 ARG 30 9.329 -3.002 8.023 215 HH12 ARG 30 2HH1 ARG 30 8.599 -2.676 9.571 216 HH21 ARG 30 2HH2 ARG 30 7.223 0.323 8.557 217 HH22 ARG 30 1HH2 ARG 30 7.424 -0.806 9.885 218 H LYS 31 H LYS 31 8.616 -2.002 0.264 219 HA LYS 31 HA LYS 31 10.929 -3.359 -0.934 220 HB2 LYS 31 1HB LYS 31 8.002 -3.251 -1.785 221 HB3 LYS 31 2HB LYS 31 9.228 -4.341 -2.426 222 HG2 LYS 31 1HG LYS 31 9.481 -5.449 -0.273 223 HG3 LYS 31 2HG LYS 31 8.371 -4.312 0.509 224 HD2 LYS 31 1HD LYS 31 6.525 -5.051 -0.923 225 HD3 LYS 31 2HD LYS 31 7.579 -6.224 -1.727 226 HE2 LYS 31 1HE LYS 31 6.948 -6.180 1.265 227 HE3 LYS 31 2HE LYS 31 6.078 -7.158 0.081 228 HZ1 LYS 31 3HZ LYS 31 7.805 -8.462 1.147 229 HZ2 LYS 31 1HZ LYS 31 8.974 -7.422 0.693 230 HZ3 LYS 31 2HZ LYS 31 8.173 -8.299 -0.433 231 H HIS 32 H HIS 32 8.991 -0.455 -1.609 232 HA HIS 32 HA HIS 32 10.290 -0.018 -4.227 233 HB2 HIS 32 1HB HIS 32 8.393 1.659 -2.545 234 HB3 HIS 32 2HB HIS 32 8.936 2.060 -4.178 235 HD1 HIS 32 1HD HIS 32 8.463 -0.555 -5.758 236 HD2 HIS 32 2HD HIS 32 5.922 0.904 -2.741 237 HE1 HIS 32 1HE HIS 32 6.208 -1.628 -6.181 238 H THR 33 H THR 33 10.470 1.385 -0.906 239 HA THR 33 HA THR 33 12.406 3.401 -1.700 240 HB THR 33 HB THR 33 12.467 3.994 0.672 241 HG1 THR 33 1HG THR 33 11.193 2.865 2.118 242 HG21 THR 33 3HG2 THR 33 10.147 4.673 0.944 243 HG22 THR 33 1HG2 THR 33 9.607 3.484 -0.260 244 HG23 THR 33 2HG2 THR 33 10.619 4.859 -0.753 245 H GLY 34 H GLY 34 12.806 0.112 -0.814 246 HA2 GLY 34 1HA GLY 34 15.447 0.219 0.316 247 HA3 GLY 34 2HA GLY 34 14.669 -1.175 -0.439 248 H GLU 35 H GLU 35 14.419 0.743 -2.966 249 HA GLU 35 HA GLU 35 16.942 -0.096 -4.219 250 HB2 GLU 35 1HB GLU 35 14.568 1.455 -5.325 251 HB3 GLU 35 2HB GLU 35 15.978 0.927 -6.252 252 HG2 GLU 35 1HG GLU 35 15.457 -1.453 -5.605 253 HG3 GLU 35 2HG GLU 35 13.964 -0.884 -4.855 254 H LYS 36 H LYS 36 18.531 1.209 -5.067 255 HA LYS 36 HA LYS 36 18.558 4.115 -4.617 256 HB2 LYS 36 1HB LYS 36 20.637 4.098 -3.359 257 HB3 LYS 36 2HB LYS 36 19.360 3.256 -2.488 258 HG2 LYS 36 1HG LYS 36 20.344 1.057 -3.198 259 HG3 LYS 36 2HG LYS 36 21.610 1.928 -4.072 260 HD2 LYS 36 1HD LYS 36 22.512 1.179 -1.984 261 HD3 LYS 36 2HD LYS 36 22.377 2.943 -1.926 262 HE2 LYS 36 1HE LYS 36 20.276 2.738 -0.610 263 HE3 LYS 36 2HE LYS 36 20.374 0.976 -0.718 264 HZ1 LYS 36 3HZ LYS 36 22.373 2.714 0.632 265 HZ2 LYS 36 1HZ LYS 36 22.462 1.085 0.536 266 HZ3 LYS 36 2HZ LYS 36 21.264 1.788 1.391 Start of MODEL 10 1 H1 GLY 1 1H GLY 1 -20.552 9.743 -11.544 2 H2 GLY 1 2H GLY 1 -20.635 9.020 -13.012 3 H3 GLY 1 3H GLY 1 -19.315 9.903 -12.606 4 HA2 GLY 1 1HA GLY 1 -20.146 7.385 -11.316 5 HA3 GLY 1 2HA GLY 1 -18.820 7.545 -12.483 6 H SER 2 H SER 2 -18.807 6.644 -9.643 7 HA SER 2 HA SER 2 -17.646 8.641 -7.959 8 HB2 SER 2 1HB SER 2 -17.425 5.614 -7.779 9 HB3 SER 2 2HB SER 2 -17.096 6.776 -6.477 10 HG SER 2 HG SER 2 -19.221 5.894 -6.350 11 H SER 3 H SER 3 -15.537 8.997 -7.262 12 HA SER 3 HA SER 3 -13.440 8.550 -9.252 13 HB2 SER 3 1HB SER 3 -12.192 10.173 -7.871 14 HB3 SER 3 2HB SER 3 -13.799 10.761 -8.330 15 HG SER 3 HG SER 3 -13.362 11.116 -6.102 16 H GLY 4 H GLY 4 -14.381 6.724 -6.591 17 HA2 GLY 4 1HA GLY 4 -13.377 4.826 -5.700 18 HA3 GLY 4 2HA GLY 4 -11.876 5.204 -6.543 19 H SER 5 H SER 5 -12.935 7.909 -4.713 20 HA SER 5 HA SER 5 -10.861 7.629 -2.699 21 HB2 SER 5 1HB SER 5 -11.731 9.763 -1.869 22 HB3 SER 5 2HB SER 5 -11.497 9.802 -3.625 23 HG SER 5 HG SER 5 -13.520 10.691 -3.044 24 H SER 6 H SER 6 -14.197 6.668 -2.838 25 HA SER 6 HA SER 6 -14.674 6.459 0.019 26 HB2 SER 6 1HB SER 6 -16.733 5.271 -0.743 27 HB3 SER 6 2HB SER 6 -16.511 6.868 -1.477 28 HG SER 6 HG SER 6 -17.100 5.236 -3.014 29 H GLY 7 H GLY 7 -12.879 4.516 -2.132 30 HA2 GLY 7 1HA GLY 7 -13.284 1.918 -0.823 31 HA3 GLY 7 2HA GLY 7 -12.091 2.334 -2.049 32 H LYS 8 H LYS 8 -10.653 1.037 -0.753 33 HA LYS 8 HA LYS 8 -9.698 1.654 1.859 34 HB2 LYS 8 1HB LYS 8 -8.514 0.276 -0.564 35 HB3 LYS 8 2HB LYS 8 -7.576 0.482 0.916 36 HG2 LYS 8 1HG LYS 8 -9.162 -0.775 2.226 37 HG3 LYS 8 2HG LYS 8 -10.331 -0.811 0.898 38 HD2 LYS 8 1HD LYS 8 -8.781 -2.181 -0.460 39 HD3 LYS 8 2HD LYS 8 -7.591 -2.148 0.856 40 HE2 LYS 8 1HE LYS 8 -9.210 -3.274 2.360 41 HE3 LYS 8 2HE LYS 8 -10.413 -3.288 1.064 42 HZ1 LYS 8 3HZ LYS 8 -8.919 -4.711 -0.229 43 HZ2 LYS 8 1HZ LYS 8 -9.238 -5.410 1.209 44 HZ3 LYS 8 2HZ LYS 8 -7.794 -4.693 0.956 45 HA PRO 9 HA PRO 9 -8.027 5.600 0.696 46 HB2 PRO 9 1HB PRO 9 -7.162 6.551 3.102 47 HB3 PRO 9 2HB PRO 9 -8.885 6.306 2.711 48 HG2 PRO 9 1HG PRO 9 -7.032 4.453 4.213 49 HG3 PRO 9 2HG PRO 9 -8.659 4.971 4.701 50 HD2 PRO 9 1HD PRO 9 -8.199 2.586 3.438 51 HD3 PRO 9 2HD PRO 9 -9.675 3.534 3.152 52 H TYR 10 H TYR 10 -5.829 3.400 2.504 53 HA TYR 10 HA TYR 10 -3.530 5.067 1.848 54 HB2 TYR 10 1HB TYR 10 -3.660 2.351 3.194 55 HB3 TYR 10 2HB TYR 10 -2.247 3.391 3.076 56 HD1 TYR 10 2HD TYR 10 -2.219 5.623 4.261 57 HD2 TYR 10 1HD TYR 10 -5.391 2.759 4.814 58 HE1 TYR 10 2HE TYR 10 -2.937 6.807 6.335 59 HE2 TYR 10 1HE TYR 10 -6.092 3.914 6.883 60 HH TYR 10 HH TYR 10 -5.697 5.668 8.324 61 H LYS 11 H LYS 11 -3.194 5.097 -0.320 62 HA LYS 11 HA LYS 11 -2.965 2.529 -1.827 63 HB2 LYS 11 1HB LYS 11 -3.505 5.295 -2.942 64 HB3 LYS 11 2HB LYS 11 -3.500 3.760 -3.823 65 HG2 LYS 11 1HG LYS 11 -5.384 3.000 -2.259 66 HG3 LYS 11 2HG LYS 11 -5.472 4.668 -1.689 67 HD2 LYS 11 1HD LYS 11 -5.860 5.409 -4.051 68 HD3 LYS 11 2HD LYS 11 -5.925 3.703 -4.543 69 HE2 LYS 11 1HE LYS 11 -7.814 3.325 -2.971 70 HE3 LYS 11 2HE LYS 11 -7.727 5.006 -2.446 71 HZ1 LYS 11 3HZ LYS 11 -9.461 4.753 -4.101 72 HZ2 LYS 11 1HZ LYS 11 -8.424 4.097 -5.188 73 HZ3 LYS 11 2HZ LYS 11 -8.271 5.664 -4.749 74 H CYS 12 H CYS 12 -1.307 2.073 -3.174 75 HA CYS 12 HA CYS 12 1.277 3.143 -2.524 76 HB2 CYS 12 1HB CYS 12 0.924 0.811 -3.029 77 HB3 CYS 12 2HB CYS 12 0.347 1.211 -4.654 78 HA PRO 13 HA PRO 13 1.371 6.337 -5.736 79 HB2 PRO 13 1HB PRO 13 3.980 7.110 -5.551 80 HB3 PRO 13 2HB PRO 13 2.772 7.473 -4.282 81 HG2 PRO 13 1HG PRO 13 4.778 5.197 -4.346 82 HG3 PRO 13 2HG PRO 13 4.440 6.335 -3.004 83 HD2 PRO 13 1HD PRO 13 3.313 3.847 -3.158 84 HD3 PRO 13 2HD PRO 13 2.422 5.229 -2.461 85 H GLN 14 H GLN 14 2.977 3.285 -5.869 86 HA GLN 14 HA GLN 14 3.784 3.727 -8.729 87 HB2 GLN 14 1HB GLN 14 4.985 1.840 -6.672 88 HB3 GLN 14 2HB GLN 14 5.419 1.924 -8.385 89 HG2 GLN 14 1HG GLN 14 6.077 4.335 -8.050 90 HG3 GLN 14 2HG GLN 14 5.774 4.141 -6.323 91 HE21 GLN 14 1HE2 GLN 14 8.152 4.904 -6.353 92 HE22 GLN 14 2HE2 GLN 14 9.356 3.627 -6.463 93 H CYS 15 H CYS 15 1.920 1.647 -6.580 94 HA CYS 15 HA CYS 15 1.219 -0.135 -8.893 95 HB2 CYS 15 1HB CYS 15 0.802 -0.807 -5.982 96 HB3 CYS 15 2HB CYS 15 0.845 -1.896 -7.365 97 H SER 16 H SER 16 -0.939 -1.219 -8.646 98 HA SER 16 HA SER 16 -3.153 0.619 -8.065 99 HB2 SER 16 1HB SER 16 -3.197 -2.323 -8.830 100 HB3 SER 16 2HB SER 16 -4.582 -1.216 -8.815 101 HG SER 16 HG SER 16 -3.678 -1.456 -10.918 102 H TYR 17 H TYR 17 -1.202 -0.975 -6.007 103 HA TYR 17 HA TYR 17 -2.850 -2.484 -4.256 104 HB2 TYR 17 1HB TYR 17 -0.432 -2.678 -4.279 105 HB3 TYR 17 2HB TYR 17 -0.244 -0.992 -3.837 106 HD1 TYR 17 1HD TYR 17 -0.613 -0.206 -1.528 107 HD2 TYR 17 2HD TYR 17 -1.098 -4.361 -2.603 108 HE1 TYR 17 1HE TYR 17 -0.612 -0.829 0.875 109 HE2 TYR 17 2HE TYR 17 -1.070 -4.981 -0.192 110 HH TYR 17 HH TYR 17 -0.906 -4.236 1.955 111 H ALA 18 H ALA 18 -4.116 -1.985 -2.574 112 HA ALA 18 HA ALA 18 -3.999 0.655 -1.295 113 HB1 ALA 18 1HB ALA 18 -5.741 0.844 -3.071 114 HB2 ALA 18 2HB ALA 18 -6.608 -0.525 -2.339 115 HB3 ALA 18 3HB ALA 18 -6.406 0.996 -1.436 116 H SER 19 H SER 19 -4.532 0.629 0.881 117 HA SER 19 HA SER 19 -5.709 -1.831 2.069 118 HB2 SER 19 1HB SER 19 -3.142 -1.847 2.181 119 HB3 SER 19 2HB SER 19 -3.301 -0.520 3.346 120 HG SER 19 HG SER 19 -4.334 -3.177 3.478 121 H ALA 20 H ALA 20 -6.335 -1.551 4.329 122 HA ALA 20 HA ALA 20 -7.716 1.028 4.770 123 HB1 ALA 20 1HB ALA 20 -8.992 -1.082 4.833 124 HB2 ALA 20 2HB ALA 20 -7.968 -1.663 6.168 125 HB3 ALA 20 3HB ALA 20 -9.022 -0.252 6.398 126 H ILE 21 H ILE 21 -4.727 -0.163 5.610 127 HA ILE 21 HA ILE 21 -4.582 1.385 8.165 128 HB ILE 21 HB ILE 21 -3.474 -1.383 7.584 129 HG12 ILE 21 1HG1 ILE 21 -5.549 -0.464 9.624 130 HG13 ILE 21 2HG1 ILE 21 -5.880 -1.385 8.158 131 HG21 ILE 21 1HG2 ILE 21 -2.548 -1.351 9.875 132 HG22 ILE 21 2HG2 ILE 21 -1.834 -0.121 8.879 133 HG23 ILE 21 3HG2 ILE 21 -3.079 0.336 10.071 134 HD11 ILE 21 3HD1 ILE 21 -5.937 -2.931 9.941 135 HD12 ILE 21 1HD1 ILE 21 -4.438 -3.247 9.043 136 HD13 ILE 21 2HD1 ILE 21 -4.393 -2.379 10.599 137 H LYS 22 H LYS 22 -2.886 2.744 8.310 138 HA LYS 22 HA LYS 22 -1.236 3.394 6.099 139 HB2 LYS 22 1HB LYS 22 -1.838 4.938 7.961 140 HB3 LYS 22 2HB LYS 22 -0.861 3.991 9.071 141 HG2 LYS 22 1HG LYS 22 0.317 5.979 8.488 142 HG3 LYS 22 2HG LYS 22 1.182 4.610 7.792 143 HD2 LYS 22 1HD LYS 22 0.124 5.092 5.576 144 HD3 LYS 22 2HD LYS 22 -0.694 6.492 6.283 145 HE2 LYS 22 1HE LYS 22 2.313 6.087 6.173 146 HE3 LYS 22 2HE LYS 22 1.372 7.004 4.984 147 HZ1 LYS 22 3HZ LYS 22 1.605 7.703 7.863 148 HZ2 LYS 22 1HZ LYS 22 0.704 8.523 6.770 149 HZ3 LYS 22 2HZ LYS 22 2.327 8.488 6.632 150 H ALA 23 H ALA 23 -0.450 1.420 8.953 151 HA ALA 23 HA ALA 23 2.286 0.975 8.424 152 HB1 ALA 23 1HB ALA 23 1.128 0.493 10.560 153 HB2 ALA 23 2HB ALA 23 0.273 -0.863 9.780 154 HB3 ALA 23 3HB ALA 23 2.035 -0.912 9.966 155 H ASN 24 H ASN 24 -0.564 -0.760 7.105 156 HA ASN 24 HA ASN 24 0.902 -2.917 5.880 157 HB2 ASN 24 1HB ASN 24 -1.798 -1.640 5.255 158 HB3 ASN 24 2HB ASN 24 -1.184 -3.066 4.449 159 HD21 ASN 24 1HD2 ASN 24 -3.534 -3.329 5.554 160 HD22 ASN 24 2HD2 ASN 24 -3.427 -4.337 7.004 161 H LEU 25 H LEU 25 -0.117 0.310 4.643 162 HA LEU 25 HA LEU 25 1.163 -0.004 2.088 163 HB2 LEU 25 1HB LEU 25 -0.612 1.624 2.432 164 HB3 LEU 25 2HB LEU 25 0.341 2.469 3.660 165 HG LEU 25 HG LEU 25 2.019 3.105 1.961 166 HD11 LEU 25 1HD1 LEU 25 0.161 1.714 -0.018 167 HD12 LEU 25 2HD1 LEU 25 1.823 1.226 0.381 168 HD13 LEU 25 3HD1 LEU 25 1.548 2.752 -0.441 169 HD21 LEU 25 3HD2 LEU 25 0.092 4.580 2.402 170 HD22 LEU 25 1HD2 LEU 25 -0.799 3.780 1.086 171 HD23 LEU 25 2HD2 LEU 25 0.669 4.706 0.731 172 H ASN 26 H ASN 26 2.327 1.330 5.237 173 HA ASN 26 HA ASN 26 4.866 2.178 4.292 174 HB2 ASN 26 1HB ASN 26 3.923 2.751 6.504 175 HB3 ASN 26 2HB ASN 26 4.122 1.077 7.024 176 HD21 ASN 26 1HD2 ASN 26 6.041 0.599 8.073 177 HD22 ASN 26 2HD2 ASN 26 7.468 1.616 7.970 178 H VAL 27 H VAL 27 3.930 -1.113 5.489 179 HA VAL 27 HA VAL 27 6.516 -2.298 4.971 180 HB VAL 27 HB VAL 27 3.730 -3.507 5.147 181 HG11 VAL 27 1HG1 VAL 27 5.094 -5.100 3.892 182 HG12 VAL 27 2HG1 VAL 27 6.432 -4.921 5.053 183 HG13 VAL 27 3HG1 VAL 27 4.901 -5.684 5.542 184 HG21 VAL 27 3HG2 VAL 27 6.082 -3.488 7.097 185 HG22 VAL 27 1HG2 VAL 27 4.634 -2.474 7.244 186 HG23 VAL 27 2HG2 VAL 27 4.489 -4.230 7.377 187 H HIS 28 H HIS 28 3.635 -1.864 2.864 188 HA HIS 28 HA HIS 28 4.725 -3.319 0.670 189 HB2 HIS 28 1HB HIS 28 2.352 -2.737 0.879 190 HB3 HIS 28 2HB HIS 28 2.725 -1.025 0.731 191 HD1 HIS 28 1HD HIS 28 2.479 -4.170 -1.443 192 HD2 HIS 28 2HD HIS 28 3.283 -0.053 -1.677 193 HE1 HIS 28 1HE HIS 28 2.527 -3.618 -3.923 194 H LEU 29 H LEU 29 5.042 0.131 1.569 195 HA LEU 29 HA LEU 29 6.717 0.876 -0.686 196 HB2 LEU 29 1HB LEU 29 6.375 2.099 2.053 197 HB3 LEU 29 2HB LEU 29 7.281 2.848 0.739 198 HG LEU 29 HG LEU 29 4.376 2.120 0.370 199 HD11 LEU 29 1HD1 LEU 29 4.626 3.480 2.405 200 HD12 LEU 29 2HD1 LEU 29 3.959 4.509 1.111 201 HD13 LEU 29 3HD1 LEU 29 5.693 4.605 1.555 202 HD21 LEU 29 3HD2 LEU 29 6.189 4.178 -0.954 203 HD22 LEU 29 1HD2 LEU 29 4.441 4.023 -1.217 204 HD23 LEU 29 2HD2 LEU 29 5.511 2.712 -1.703 205 H ARG 30 H ARG 30 7.435 -0.474 2.549 206 HA ARG 30 HA ARG 30 10.174 0.051 2.495 207 HB2 ARG 30 1HB ARG 30 8.528 -2.124 3.815 208 HB3 ARG 30 2HB ARG 30 10.285 -2.180 3.918 209 HG2 ARG 30 1HG ARG 30 10.415 -0.058 4.988 210 HG3 ARG 30 2HG ARG 30 8.730 0.306 4.717 211 HD2 ARG 30 1HD ARG 30 9.182 -0.350 7.066 212 HD3 ARG 30 2HD ARG 30 8.014 -1.397 6.278 213 HE ARG 30 HE ARG 30 9.444 -3.199 6.496 214 HH11 ARG 30 2HH2 ARG 30 11.430 -0.341 7.199 215 HH12 ARG 30 1HH2 ARG 30 12.759 -1.395 7.700 216 HH21 ARG 30 2HH1 ARG 30 11.277 -4.331 7.190 217 HH22 ARG 30 1HH1 ARG 30 12.677 -3.377 7.698 218 H LYS 31 H LYS 31 8.385 -2.187 0.573 219 HA LYS 31 HA LYS 31 10.710 -3.658 -0.490 220 HB2 LYS 31 1HB LYS 31 7.844 -3.504 -1.508 221 HB3 LYS 31 2HB LYS 31 9.087 -4.624 -2.053 222 HG2 LYS 31 1HG LYS 31 9.194 -5.658 0.178 223 HG3 LYS 31 2HG LYS 31 7.973 -4.527 0.789 224 HD2 LYS 31 1HD LYS 31 6.350 -5.368 -0.895 225 HD3 LYS 31 2HD LYS 31 7.528 -6.567 -1.437 226 HE2 LYS 31 1HE LYS 31 6.434 -6.336 1.410 227 HE3 LYS 31 2HE LYS 31 5.781 -7.418 0.176 228 HZ1 LYS 31 3HZ LYS 31 7.338 -8.595 1.594 229 HZ2 LYS 31 1HZ LYS 31 8.547 -7.555 1.255 230 HZ3 LYS 31 2HZ LYS 31 7.949 -8.531 0.084 231 H HIS 32 H HIS 32 8.886 -0.721 -1.365 232 HA HIS 32 HA HIS 32 10.143 -0.519 -4.007 233 HB2 HIS 32 1HB HIS 32 8.393 1.342 -2.358 234 HB3 HIS 32 2HB HIS 32 9.025 1.757 -3.948 235 HD1 HIS 32 1HD HIS 32 8.427 -0.545 -5.777 236 HD2 HIS 32 2HD HIS 32 5.886 0.733 -2.685 237 HE1 HIS 32 1HE HIS 32 6.123 -1.369 -6.407 238 H THR 33 H THR 33 10.617 1.118 -0.860 239 HA THR 33 HA THR 33 13.182 2.291 -1.868 240 HB THR 33 HB THR 33 11.329 3.828 -2.387 241 HG1 THR 33 1HG THR 33 13.311 4.731 -1.982 242 HG21 THR 33 3HG2 THR 33 10.175 5.082 -0.643 243 HG22 THR 33 1HG2 THR 33 10.928 4.094 0.622 244 HG23 THR 33 2HG2 THR 33 9.777 3.364 -0.523 245 H GLY 34 H GLY 34 11.336 1.229 0.937 246 HA2 GLY 34 1HA GLY 34 13.036 2.390 2.945 247 HA3 GLY 34 2HA GLY 34 11.908 1.075 3.195 248 H GLU 35 H GLU 35 14.189 1.122 4.610 249 HA GLU 35 HA GLU 35 15.532 -1.364 3.823 250 HB2 GLU 35 1HB GLU 35 16.805 0.768 2.882 251 HB3 GLU 35 2HB GLU 35 17.304 0.981 4.561 252 HG2 GLU 35 1HG GLU 35 18.163 -1.437 4.463 253 HG3 GLU 35 2HG GLU 35 17.806 -1.418 2.742 254 H LYS 36 H LYS 36 16.577 -2.392 5.607 255 HA LYS 36 HA LYS 36 16.640 -3.172 7.769 256 HB2 LYS 36 1HB LYS 36 17.646 -0.324 8.061 257 HB3 LYS 36 2HB LYS 36 17.799 -1.544 9.331 258 HG2 LYS 36 1HG LYS 36 19.204 -2.946 8.007 259 HG3 LYS 36 2HG LYS 36 18.904 -2.000 6.541 260 HD2 LYS 36 1HD LYS 36 20.054 -0.056 7.492 261 HD3 LYS 36 2HD LYS 36 20.271 -0.899 9.029 262 HE2 LYS 36 1HE LYS 36 22.339 -0.877 7.733 263 HE3 LYS 36 2HE LYS 36 21.772 -2.526 8.003 264 HZ1 LYS 36 3HZ LYS 36 22.533 -2.029 5.680 265 HZ2 LYS 36 1HZ LYS 36 21.241 -1.037 5.475 266 HZ3 LYS 36 2HZ LYS 36 21.019 -2.629 5.746 Start of MODEL 11 1 H1 GLY 1 1H GLY 1 -27.646 4.874 1.870 2 H2 GLY 1 2H GLY 1 -28.788 3.710 2.029 3 H3 GLY 1 3H GLY 1 -28.003 3.900 0.604 4 HA2 GLY 1 1HA GLY 1 -26.761 3.030 3.132 5 HA3 GLY 1 2HA GLY 1 -27.163 1.965 1.771 6 H SER 2 H SER 2 -24.560 2.390 2.956 7 HA SER 2 HA SER 2 -23.035 3.656 0.704 8 HB2 SER 2 1HB SER 2 -22.220 3.492 3.622 9 HB3 SER 2 2HB SER 2 -21.310 4.248 2.304 10 HG SER 2 HG SER 2 -23.833 5.050 3.359 11 H SER 3 H SER 3 -23.873 0.693 1.348 12 HA SER 3 HA SER 3 -21.571 -0.805 1.985 13 HB2 SER 3 1HB SER 3 -23.950 -1.642 0.285 14 HB3 SER 3 2HB SER 3 -22.798 -2.724 1.095 15 HG SER 3 HG SER 3 -24.711 -2.412 2.333 16 H GLY 4 H GLY 4 -19.693 -0.797 0.938 17 HA2 GLY 4 1HA GLY 4 -18.123 -1.110 -0.723 18 HA3 GLY 4 2HA GLY 4 -19.405 -1.568 -1.844 19 H SER 5 H SER 5 -20.058 1.518 -0.493 20 HA SER 5 HA SER 5 -19.674 2.787 -3.070 21 HB2 SER 5 1HB SER 5 -20.561 3.985 -0.425 22 HB3 SER 5 2HB SER 5 -20.752 4.718 -2.026 23 HG SER 5 HG SER 5 -22.118 2.994 -2.612 24 H SER 6 H SER 6 -17.535 2.479 -0.441 25 HA SER 6 HA SER 6 -15.842 4.750 -1.413 26 HB2 SER 6 1HB SER 6 -16.241 3.887 1.475 27 HB3 SER 6 2HB SER 6 -15.079 5.098 0.901 28 HG SER 6 HG SER 6 -17.034 6.048 1.660 29 H GLY 7 H GLY 7 -13.732 4.330 -1.720 30 HA2 GLY 7 1HA GLY 7 -12.791 1.546 -1.661 31 HA3 GLY 7 2HA GLY 7 -11.968 2.934 -2.360 32 H LYS 8 H LYS 8 -10.459 1.196 -1.094 33 HA LYS 8 HA LYS 8 -9.884 1.789 1.691 34 HB2 LYS 8 1HB LYS 8 -8.437 0.333 -0.537 35 HB3 LYS 8 2HB LYS 8 -7.687 0.582 1.041 36 HG2 LYS 8 1HG LYS 8 -9.441 -0.634 2.176 37 HG3 LYS 8 2HG LYS 8 -10.417 -0.725 0.701 38 HD2 LYS 8 1HD LYS 8 -8.681 -2.120 -0.384 39 HD3 LYS 8 2HD LYS 8 -7.697 -2.044 1.091 40 HE2 LYS 8 1HE LYS 8 -9.515 -3.135 2.374 41 HE3 LYS 8 2HE LYS 8 -10.523 -3.181 0.923 42 HZ1 LYS 8 3HZ LYS 8 -7.923 -4.596 1.224 43 HZ2 LYS 8 1HZ LYS 8 -8.867 -4.639 -0.110 44 HZ3 LYS 8 2HZ LYS 8 -9.393 -5.301 1.284 45 HA PRO 9 HA PRO 9 -8.027 5.663 0.723 46 HB2 PRO 9 1HB PRO 9 -7.169 6.511 3.166 47 HB3 PRO 9 2HB PRO 9 -8.891 6.304 2.751 48 HG2 PRO 9 1HG PRO 9 -7.084 4.381 4.220 49 HG3 PRO 9 2HG PRO 9 -8.721 4.895 4.686 50 HD2 PRO 9 1HD PRO 9 -8.217 2.547 3.341 51 HD3 PRO 9 2HD PRO 9 -9.702 3.493 3.102 52 H TYR 10 H TYR 10 -5.838 3.410 2.517 53 HA TYR 10 HA TYR 10 -3.539 5.081 1.869 54 HB2 TYR 10 1HB TYR 10 -3.670 2.370 3.226 55 HB3 TYR 10 2HB TYR 10 -2.255 3.405 3.102 56 HD1 TYR 10 2HD TYR 10 -2.197 5.629 4.286 57 HD2 TYR 10 1HD TYR 10 -5.420 2.814 4.830 58 HE1 TYR 10 2HE TYR 10 -2.930 6.846 6.334 59 HE2 TYR 10 1HE TYR 10 -6.113 3.988 6.889 60 HH TYR 10 HH TYR 10 -5.699 5.749 8.325 61 H LYS 11 H LYS 11 -3.158 5.104 -0.297 62 HA LYS 11 HA LYS 11 -2.921 2.524 -1.786 63 HB2 LYS 11 1HB LYS 11 -3.411 5.300 -2.909 64 HB3 LYS 11 2HB LYS 11 -3.356 3.774 -3.804 65 HG2 LYS 11 1HG LYS 11 -5.288 2.981 -2.312 66 HG3 LYS 11 2HG LYS 11 -5.432 4.653 -1.760 67 HD2 LYS 11 1HD LYS 11 -5.748 5.385 -4.118 68 HD3 LYS 11 2HD LYS 11 -5.665 3.690 -4.643 69 HE2 LYS 11 1HE LYS 11 -7.624 3.153 -3.211 70 HE3 LYS 11 2HE LYS 11 -7.703 4.833 -2.678 71 HZ1 LYS 11 3HZ LYS 11 -8.138 5.481 -4.993 72 HZ2 LYS 11 1HZ LYS 11 -9.264 4.415 -4.491 73 HZ3 LYS 11 2HZ LYS 11 -8.069 3.926 -5.488 74 H CYS 12 H CYS 12 -1.266 2.051 -3.118 75 HA CYS 12 HA CYS 12 1.335 3.123 -2.502 76 HB2 CYS 12 1HB CYS 12 0.970 0.789 -2.994 77 HB3 CYS 12 2HB CYS 12 0.382 1.186 -4.618 78 HA PRO 13 HA PRO 13 1.313 6.328 -5.710 79 HB2 PRO 13 1HB PRO 13 3.930 7.106 -5.592 80 HB3 PRO 13 2HB PRO 13 2.750 7.480 -4.300 81 HG2 PRO 13 1HG PRO 13 4.762 5.210 -4.393 82 HG3 PRO 13 2HG PRO 13 4.444 6.355 -3.050 83 HD2 PRO 13 1HD PRO 13 3.332 3.861 -3.167 84 HD3 PRO 13 2HD PRO 13 2.445 5.242 -2.460 85 H GLN 14 H GLN 14 2.959 3.303 -5.853 86 HA GLN 14 HA GLN 14 3.781 3.716 -8.708 87 HB2 GLN 14 1HB GLN 14 4.993 2.020 -6.497 88 HB3 GLN 14 2HB GLN 14 5.463 1.919 -8.198 89 HG2 GLN 14 1HG GLN 14 6.191 4.246 -8.203 90 HG3 GLN 14 2HG GLN 14 5.607 4.490 -6.558 91 HE21 GLN 14 1HE2 GLN 14 7.956 2.408 -8.393 92 HE22 GLN 14 2HE2 GLN 14 9.097 2.357 -7.056 93 H CYS 15 H CYS 15 1.919 1.642 -6.558 94 HA CYS 15 HA CYS 15 1.269 -0.182 -8.854 95 HB2 CYS 15 1HB CYS 15 0.847 -0.817 -5.931 96 HB3 CYS 15 2HB CYS 15 0.878 -1.926 -7.299 97 H SER 16 H SER 16 -0.894 -1.270 -8.602 98 HA SER 16 HA SER 16 -3.110 0.578 -8.055 99 HB2 SER 16 1HB SER 16 -3.154 -2.373 -8.788 100 HB3 SER 16 2HB SER 16 -4.536 -1.262 -8.794 101 HG SER 16 HG SER 16 -3.621 -1.527 -10.889 102 H TYR 17 H TYR 17 -1.174 -0.987 -5.966 103 HA TYR 17 HA TYR 17 -2.839 -2.493 -4.226 104 HB2 TYR 17 1HB TYR 17 -0.426 -2.710 -4.238 105 HB3 TYR 17 2HB TYR 17 -0.220 -1.023 -3.804 106 HD1 TYR 17 1HD TYR 17 -0.594 -0.217 -1.503 107 HD2 TYR 17 2HD TYR 17 -1.098 -4.377 -2.552 108 HE1 TYR 17 1HE TYR 17 -0.604 -0.825 0.904 109 HE2 TYR 17 2HE TYR 17 -1.079 -4.982 -0.137 110 HH TYR 17 HH TYR 17 -0.916 -4.224 2.004 111 H ALA 18 H ALA 18 -4.115 -1.990 -2.553 112 HA ALA 18 HA ALA 18 -3.988 0.648 -1.270 113 HB1 ALA 18 1HB ALA 18 -6.602 -0.507 -2.324 114 HB2 ALA 18 2HB ALA 18 -6.381 1.024 -1.440 115 HB3 ALA 18 3HB ALA 18 -5.711 0.837 -3.071 116 H SER 19 H SER 19 -4.516 0.628 0.898 117 HA SER 19 HA SER 19 -5.707 -1.823 2.098 118 HB2 SER 19 1HB SER 19 -3.146 -1.845 2.217 119 HB3 SER 19 2HB SER 19 -3.299 -0.499 3.362 120 HG SER 19 HG SER 19 -4.350 -3.147 3.536 121 H ALA 20 H ALA 20 -6.382 -1.524 4.336 122 HA ALA 20 HA ALA 20 -7.698 1.093 4.764 123 HB1 ALA 20 1HB ALA 20 -8.051 -1.593 6.146 124 HB2 ALA 20 2HB ALA 20 -9.061 -0.149 6.373 125 HB3 ALA 20 3HB ALA 20 -9.040 -0.970 4.803 126 H ILE 21 H ILE 21 -4.748 -0.166 5.618 127 HA ILE 21 HA ILE 21 -4.585 1.379 8.174 128 HB ILE 21 HB ILE 21 -3.483 -1.391 7.591 129 HG12 ILE 21 1HG1 ILE 21 -5.571 -0.472 9.620 130 HG13 ILE 21 2HG1 ILE 21 -5.893 -1.395 8.151 131 HG21 ILE 21 1HG2 ILE 21 -2.568 -1.361 9.888 132 HG22 ILE 21 2HG2 ILE 21 -1.851 -0.123 8.902 133 HG23 ILE 21 3HG2 ILE 21 -3.107 0.324 10.085 134 HD11 ILE 21 3HD1 ILE 21 -4.420 -2.388 10.603 135 HD12 ILE 21 1HD1 ILE 21 -5.959 -2.940 9.936 136 HD13 ILE 21 2HD1 ILE 21 -4.455 -3.256 9.047 137 H LYS 22 H LYS 22 -2.882 2.716 8.326 138 HA LYS 22 HA LYS 22 -1.240 3.375 6.100 139 HB2 LYS 22 1HB LYS 22 -1.927 4.838 8.050 140 HB3 LYS 22 2HB LYS 22 -0.720 4.013 9.037 141 HG2 LYS 22 1HG LYS 22 1.052 4.745 7.407 142 HG3 LYS 22 2HG LYS 22 -0.179 5.624 6.493 143 HD2 LYS 22 1HD LYS 22 0.581 6.135 9.407 144 HD3 LYS 22 2HD LYS 22 1.174 7.057 8.019 145 HE2 LYS 22 1HE LYS 22 -1.140 7.753 7.468 146 HE3 LYS 22 2HE LYS 22 -1.755 6.841 8.855 147 HZ1 LYS 22 3HZ LYS 22 0.125 9.137 9.025 148 HZ2 LYS 22 1HZ LYS 22 -0.437 8.294 10.306 149 HZ3 LYS 22 2HZ LYS 22 -1.460 9.186 9.403 150 H ALA 23 H ALA 23 -0.448 1.418 8.969 151 HA ALA 23 HA ALA 23 2.295 0.989 8.435 152 HB1 ALA 23 1HB ALA 23 1.159 0.531 10.586 153 HB2 ALA 23 2HB ALA 23 0.295 -0.835 9.833 154 HB3 ALA 23 3HB ALA 23 2.060 -0.884 10.003 155 H ASN 24 H ASN 24 -0.549 -0.781 7.152 156 HA ASN 24 HA ASN 24 0.922 -2.931 5.923 157 HB2 ASN 24 1HB ASN 24 -1.778 -1.657 5.289 158 HB3 ASN 24 2HB ASN 24 -1.160 -3.084 4.488 159 HD21 ASN 24 1HD2 ASN 24 -3.521 -3.328 5.593 160 HD22 ASN 24 2HD2 ASN 24 -3.419 -4.345 7.036 161 H LEU 25 H LEU 25 -0.113 0.291 4.689 162 HA LEU 25 HA LEU 25 1.146 -0.016 2.128 163 HB2 LEU 25 1HB LEU 25 -0.629 1.614 2.500 164 HB3 LEU 25 2HB LEU 25 0.346 2.459 3.709 165 HG LEU 25 HG LEU 25 2.007 3.072 1.975 166 HD11 LEU 25 1HD1 LEU 25 1.466 2.736 -0.412 167 HD12 LEU 25 2HD1 LEU 25 0.072 1.722 0.044 168 HD13 LEU 25 3HD1 LEU 25 1.734 1.200 0.395 169 HD21 LEU 25 3HD2 LEU 25 0.113 4.576 2.465 170 HD22 LEU 25 1HD2 LEU 25 -0.813 3.799 1.159 171 HD23 LEU 25 2HD2 LEU 25 0.667 4.699 0.785 172 H ASN 26 H ASN 26 2.353 1.316 5.255 173 HA ASN 26 HA ASN 26 4.874 2.189 4.295 174 HB2 ASN 26 1HB ASN 26 3.876 2.662 6.547 175 HB3 ASN 26 2HB ASN 26 4.228 0.999 7.016 176 HD21 ASN 26 1HD2 ASN 26 5.434 2.139 8.785 177 HD22 ASN 26 2HD2 ASN 26 7.079 2.644 8.428 178 H VAL 27 H VAL 27 3.996 -1.103 5.544 179 HA VAL 27 HA VAL 27 6.564 -2.284 4.969 180 HB VAL 27 HB VAL 27 3.776 -3.494 5.199 181 HG11 VAL 27 1HG1 VAL 27 6.468 -4.927 5.096 182 HG12 VAL 27 2HG1 VAL 27 4.936 -5.672 5.605 183 HG13 VAL 27 3HG1 VAL 27 5.121 -5.108 3.947 184 HG21 VAL 27 3HG2 VAL 27 4.701 -2.441 7.272 185 HG22 VAL 27 1HG2 VAL 27 4.553 -4.194 7.427 186 HG23 VAL 27 2HG2 VAL 27 6.145 -3.459 7.124 187 H HIS 28 H HIS 28 3.640 -1.892 2.900 188 HA HIS 28 HA HIS 28 4.713 -3.369 0.707 189 HB2 HIS 28 1HB HIS 28 2.343 -2.802 0.894 190 HB3 HIS 28 2HB HIS 28 2.702 -1.084 0.773 191 HD1 HIS 28 1HD HIS 28 2.430 -4.183 -1.450 192 HD2 HIS 28 2HD HIS 28 3.360 -0.091 -1.625 193 HE1 HIS 28 1HE HIS 28 2.542 -3.607 -3.922 194 H LEU 29 H LEU 29 4.993 0.105 1.546 195 HA LEU 29 HA LEU 29 6.605 0.860 -0.738 196 HB2 LEU 29 1HB LEU 29 6.299 2.044 2.020 197 HB3 LEU 29 2HB LEU 29 7.243 2.814 0.752 198 HG LEU 29 HG LEU 29 4.356 2.103 0.279 199 HD11 LEU 29 1HD1 LEU 29 5.624 4.557 1.589 200 HD12 LEU 29 2HD1 LEU 29 4.534 3.405 2.371 201 HD13 LEU 29 3HD1 LEU 29 3.904 4.475 1.093 202 HD21 LEU 29 3HD2 LEU 29 6.201 4.215 -0.913 203 HD22 LEU 29 1HD2 LEU 29 4.462 4.086 -1.228 204 HD23 LEU 29 2HD2 LEU 29 5.533 2.785 -1.736 205 H ARG 30 H ARG 30 7.452 -0.480 2.465 206 HA ARG 30 HA ARG 30 10.190 0.099 2.334 207 HB2 ARG 30 1HB ARG 30 8.653 -2.155 3.675 208 HB3 ARG 30 2HB ARG 30 10.411 -2.126 3.735 209 HG2 ARG 30 1HG ARG 30 10.441 0.023 4.827 210 HG3 ARG 30 2HG ARG 30 8.711 0.225 4.649 211 HD2 ARG 30 1HD ARG 30 9.236 -0.414 6.925 212 HD3 ARG 30 2HD ARG 30 8.319 -1.709 6.142 213 HE ARG 30 HE ARG 30 11.129 -2.243 5.840 214 HH11 ARG 30 2HH1 ARG 30 8.759 -2.292 8.443 215 HH12 ARG 30 1HH1 ARG 30 9.646 -3.524 9.300 216 HH21 ARG 30 2HH2 ARG 30 12.135 -3.690 6.899 217 HH22 ARG 30 1HH2 ARG 30 11.569 -4.326 8.449 218 H LYS 31 H LYS 31 8.392 -2.126 0.420 219 HA LYS 31 HA LYS 31 10.695 -3.641 -0.628 220 HB2 LYS 31 1HB LYS 31 7.834 -3.464 -1.658 221 HB3 LYS 31 2HB LYS 31 9.064 -4.614 -2.171 222 HG2 LYS 31 1HG LYS 31 9.142 -5.601 0.086 223 HG3 LYS 31 2HG LYS 31 7.928 -4.443 0.659 224 HD2 LYS 31 1HD LYS 31 6.308 -5.302 -1.010 225 HD3 LYS 31 2HD LYS 31 7.477 -6.525 -1.525 226 HE2 LYS 31 1HE LYS 31 6.375 -6.226 1.313 227 HE3 LYS 31 2HE LYS 31 5.714 -7.325 0.099 228 HZ1 LYS 31 3HZ LYS 31 7.872 -8.461 0.037 229 HZ2 LYS 31 1HZ LYS 31 7.254 -8.489 1.545 230 HZ3 LYS 31 2HZ LYS 31 8.475 -7.469 1.190 231 H HIS 32 H HIS 32 8.953 -0.657 -1.464 232 HA HIS 32 HA HIS 32 10.288 -0.444 -4.088 233 HB2 HIS 32 1HB HIS 32 8.493 1.426 -2.500 234 HB3 HIS 32 2HB HIS 32 9.125 1.764 -4.110 235 HD1 HIS 32 1HD HIS 32 8.500 -0.779 -5.726 236 HD2 HIS 32 2HD HIS 32 5.978 0.899 -2.809 237 HE1 HIS 32 1HE HIS 32 6.169 -1.592 -6.284 238 H THR 33 H THR 33 10.626 1.061 -0.846 239 HA THR 33 HA THR 33 13.259 2.205 -1.551 240 HB THR 33 HB THR 33 11.558 3.788 -2.442 241 HG1 THR 33 1HG THR 33 12.531 5.572 -1.542 242 HG21 THR 33 3HG2 THR 33 10.811 4.299 0.471 243 HG22 THR 33 1HG2 THR 33 9.771 3.497 -0.727 244 HG23 THR 33 2HG2 THR 33 10.241 5.187 -0.956 245 H GLY 34 H GLY 34 14.199 3.452 0.291 246 HA2 GLY 34 1HA GLY 34 14.763 3.806 2.482 247 HA3 GLY 34 2HA GLY 34 13.148 3.268 2.939 248 H GLU 35 H GLU 35 14.649 0.743 1.275 249 HA GLU 35 HA GLU 35 16.097 -0.406 3.581 250 HB2 GLU 35 1HB GLU 35 13.606 -0.959 3.762 251 HB3 GLU 35 2HB GLU 35 13.789 -1.891 2.271 252 HG2 GLU 35 1HG GLU 35 15.458 -3.342 3.374 253 HG3 GLU 35 2HG GLU 35 15.349 -2.369 4.845 254 H LYS 36 H LYS 36 17.622 -1.947 2.994 255 HA LYS 36 HA LYS 36 17.856 -2.908 0.214 256 HB2 LYS 36 1HB LYS 36 18.984 -0.666 0.302 257 HB3 LYS 36 2HB LYS 36 20.075 -1.292 1.546 258 HG2 LYS 36 1HG LYS 36 20.912 -2.998 -0.049 259 HG3 LYS 36 2HG LYS 36 19.772 -2.417 -1.280 260 HD2 LYS 36 1HD LYS 36 20.862 -0.174 -1.200 261 HD3 LYS 36 2HD LYS 36 22.043 -0.786 -0.038 262 HE2 LYS 36 1HE LYS 36 21.613 -1.876 -2.862 263 HE3 LYS 36 2HE LYS 36 22.843 -0.689 -2.424 264 HZ1 LYS 36 3HZ LYS 36 23.782 -2.908 -2.453 265 HZ2 LYS 36 1HZ LYS 36 22.707 -3.459 -1.359 266 HZ3 LYS 36 2HZ LYS 36 23.824 -2.344 -0.924 Start of MODEL 12 1 H1 GLY 1 1H GLY 1 -11.391 -2.900 -6.796 2 H2 GLY 1 2H GLY 1 -10.253 -4.067 -6.644 3 H3 GLY 1 3H GLY 1 -10.635 -3.485 -8.127 4 HA2 GLY 1 1HA GLY 1 -8.517 -2.589 -7.406 5 HA3 GLY 1 2HA GLY 1 -9.740 -1.318 -7.591 6 H SER 2 H SER 2 -9.714 0.108 -5.947 7 HA SER 2 HA SER 2 -8.602 -0.539 -3.305 8 HB2 SER 2 1HB SER 2 -9.838 2.030 -4.359 9 HB3 SER 2 2HB SER 2 -8.994 1.834 -2.812 10 HG SER 2 HG SER 2 -7.870 1.422 -5.405 11 H SER 3 H SER 3 -10.702 -2.204 -3.686 12 HA SER 3 HA SER 3 -13.281 -1.205 -3.078 13 HB2 SER 3 1HB SER 3 -12.301 -4.065 -2.815 14 HB3 SER 3 2HB SER 3 -13.966 -3.512 -3.076 15 HG SER 3 HG SER 3 -13.080 -4.147 -5.042 16 H GLY 4 H GLY 4 -14.528 -1.129 -1.291 17 HA2 GLY 4 1HA GLY 4 -14.247 -2.488 1.156 18 HA3 GLY 4 2HA GLY 4 -13.409 -0.941 1.334 19 H SER 5 H SER 5 -15.428 -1.146 3.014 20 HA SER 5 HA SER 5 -18.080 -0.675 2.154 21 HB2 SER 5 1HB SER 5 -18.448 0.128 4.478 22 HB3 SER 5 2HB SER 5 -17.577 -1.411 4.391 23 HG SER 5 HG SER 5 -16.610 0.061 5.879 24 H SER 6 H SER 6 -15.486 1.644 2.668 25 HA SER 6 HA SER 6 -17.018 3.651 1.109 26 HB2 SER 6 1HB SER 6 -17.046 4.120 3.653 27 HB3 SER 6 2HB SER 6 -15.331 4.525 3.470 28 HG SER 6 HG SER 6 -16.733 6.354 3.244 29 H GLY 7 H GLY 7 -15.069 1.693 0.359 30 HA2 GLY 7 1HA GLY 7 -13.166 1.428 -0.901 31 HA3 GLY 7 2HA GLY 7 -12.974 3.175 -0.990 32 H LYS 8 H LYS 8 -10.772 1.649 -0.819 33 HA LYS 8 HA LYS 8 -9.717 1.744 1.962 34 HB2 LYS 8 1HB LYS 8 -8.621 0.673 -0.649 35 HB3 LYS 8 2HB LYS 8 -7.622 0.845 0.792 36 HG2 LYS 8 1HG LYS 8 -8.958 -0.664 2.071 37 HG3 LYS 8 2HG LYS 8 -10.252 -0.676 0.867 38 HD2 LYS 8 1HD LYS 8 -8.809 -1.816 -0.753 39 HD3 LYS 8 2HD LYS 8 -7.437 -1.718 0.365 40 HE2 LYS 8 1HE LYS 8 -8.655 -3.121 2.003 41 HE3 LYS 8 2HE LYS 8 -10.038 -3.209 0.907 42 HZ1 LYS 8 3HZ LYS 8 -8.602 -5.169 0.713 43 HZ2 LYS 8 1HZ LYS 8 -7.322 -4.251 0.279 44 HZ3 LYS 8 2HZ LYS 8 -8.628 -4.357 -0.701 45 HA PRO 9 HA PRO 9 -8.302 5.849 0.906 46 HB2 PRO 9 1HB PRO 9 -7.289 6.673 3.301 47 HB3 PRO 9 2HB PRO 9 -9.030 6.445 3.003 48 HG2 PRO 9 1HG PRO 9 -7.103 4.564 4.352 49 HG3 PRO 9 2HG PRO 9 -8.744 5.004 4.882 50 HD2 PRO 9 1HD PRO 9 -8.146 2.691 3.474 51 HD3 PRO 9 2HD PRO 9 -9.716 3.521 3.375 52 H TYR 10 H TYR 10 -5.987 3.651 2.579 53 HA TYR 10 HA TYR 10 -3.724 5.291 1.776 54 HB2 TYR 10 1HB TYR 10 -3.756 2.545 3.090 55 HB3 TYR 10 2HB TYR 10 -2.392 3.644 3.002 56 HD1 TYR 10 2HD TYR 10 -2.540 5.907 4.218 57 HD2 TYR 10 1HD TYR 10 -5.364 2.704 4.834 58 HE1 TYR 10 2HE TYR 10 -3.271 6.956 6.355 59 HE2 TYR 10 1HE TYR 10 -6.054 3.723 6.991 60 HH TYR 10 HH TYR 10 -4.649 6.802 8.185 61 H LYS 11 H LYS 11 -2.726 5.113 -0.211 62 HA LYS 11 HA LYS 11 -2.857 2.529 -1.710 63 HB2 LYS 11 1HB LYS 11 -3.290 5.274 -2.926 64 HB3 LYS 11 2HB LYS 11 -3.375 3.704 -3.729 65 HG2 LYS 11 1HG LYS 11 -5.305 3.124 -2.152 66 HG3 LYS 11 2HG LYS 11 -5.263 4.808 -1.623 67 HD2 LYS 11 1HD LYS 11 -5.588 5.489 -4.043 68 HD3 LYS 11 2HD LYS 11 -5.820 3.779 -4.426 69 HE2 LYS 11 1HE LYS 11 -8.003 4.701 -4.174 70 HE3 LYS 11 2HE LYS 11 -7.693 3.710 -2.746 71 HZ1 LYS 11 3HZ LYS 11 -7.491 6.676 -2.868 72 HZ2 LYS 11 1HZ LYS 11 -7.127 5.777 -1.546 73 HZ3 LYS 11 2HZ LYS 11 -8.658 5.817 -2.108 74 H CYS 12 H CYS 12 -1.224 2.062 -3.136 75 HA CYS 12 HA CYS 12 1.380 3.114 -2.509 76 HB2 CYS 12 1HB CYS 12 1.003 0.783 -2.985 77 HB3 CYS 12 2HB CYS 12 0.416 1.173 -4.614 78 HA PRO 13 HA PRO 13 1.404 6.284 -5.754 79 HB2 PRO 13 1HB PRO 13 4.014 7.068 -5.615 80 HB3 PRO 13 2HB PRO 13 2.822 7.443 -4.335 81 HG2 PRO 13 1HG PRO 13 4.835 5.173 -4.403 82 HG3 PRO 13 2HG PRO 13 4.512 6.326 -3.068 83 HD2 PRO 13 1HD PRO 13 3.393 3.834 -3.177 84 HD3 PRO 13 2HD PRO 13 2.506 5.223 -2.487 85 H GLN 14 H GLN 14 3.027 3.239 -5.886 86 HA GLN 14 HA GLN 14 3.787 3.667 -8.761 87 HB2 GLN 14 1HB GLN 14 5.051 1.809 -6.717 88 HB3 GLN 14 2HB GLN 14 5.458 1.902 -8.436 89 HG2 GLN 14 1HG GLN 14 6.076 4.328 -8.105 90 HG3 GLN 14 2HG GLN 14 5.811 4.117 -6.373 91 HE21 GLN 14 1HE2 GLN 14 8.157 4.897 -6.367 92 HE22 GLN 14 2HE2 GLN 14 9.389 3.655 -6.544 93 H CYS 15 H CYS 15 1.987 1.575 -6.569 94 HA CYS 15 HA CYS 15 1.330 -0.270 -8.841 95 HB2 CYS 15 1HB CYS 15 0.891 -0.828 -5.906 96 HB3 CYS 15 2HB CYS 15 0.916 -1.974 -7.242 97 H SER 16 H SER 16 -0.821 -1.393 -8.523 98 HA SER 16 HA SER 16 -3.053 0.488 -8.079 99 HB2 SER 16 1HB SER 16 -2.861 -1.260 -9.962 100 HB3 SER 16 2HB SER 16 -3.273 -2.463 -8.728 101 HG SER 16 HG SER 16 -5.109 -1.638 -9.879 102 H TYR 17 H TYR 17 -1.128 -1.000 -5.968 103 HA TYR 17 HA TYR 17 -2.780 -2.522 -4.212 104 HB2 TYR 17 1HB TYR 17 -0.365 -2.722 -4.225 105 HB3 TYR 17 2HB TYR 17 -0.172 -1.030 -3.805 106 HD1 TYR 17 1HD TYR 17 -0.674 -0.193 -1.497 107 HD2 TYR 17 2HD TYR 17 -0.922 -4.385 -2.527 108 HE1 TYR 17 1HE TYR 17 -0.662 -0.785 0.905 109 HE2 TYR 17 2HE TYR 17 -0.896 -4.970 -0.108 110 HH TYR 17 HH TYR 17 -0.800 -4.188 2.029 111 H ALA 18 H ALA 18 -4.063 -1.994 -2.565 112 HA ALA 18 HA ALA 18 -3.833 0.598 -1.240 113 HB1 ALA 18 1HB ALA 18 -6.239 1.055 -1.330 114 HB2 ALA 18 2HB ALA 18 -5.582 0.958 -2.970 115 HB3 ALA 18 3HB ALA 18 -6.503 -0.410 -2.306 116 H SER 19 H SER 19 -4.633 0.620 0.890 117 HA SER 19 HA SER 19 -5.717 -1.878 2.051 118 HB2 SER 19 1HB SER 19 -3.163 -1.889 2.256 119 HB3 SER 19 2HB SER 19 -3.352 -0.540 3.391 120 HG SER 19 HG SER 19 -4.404 -3.191 3.552 121 H ALA 20 H ALA 20 -6.458 -1.613 4.276 122 HA ALA 20 HA ALA 20 -7.776 0.999 4.738 123 HB1 ALA 20 1HB ALA 20 -9.142 -0.270 6.328 124 HB2 ALA 20 2HB ALA 20 -9.119 -1.073 4.749 125 HB3 ALA 20 3HB ALA 20 -8.129 -1.709 6.085 126 H ILE 21 H ILE 21 -4.828 -0.288 5.579 127 HA ILE 21 HA ILE 21 -4.662 1.251 8.140 128 HB ILE 21 HB ILE 21 -3.524 -1.501 7.544 129 HG12 ILE 21 1HG1 ILE 21 -5.646 -0.633 9.560 130 HG13 ILE 21 2HG1 ILE 21 -5.936 -1.557 8.085 131 HG21 ILE 21 1HG2 ILE 21 -1.929 -0.198 8.878 132 HG22 ILE 21 2HG2 ILE 21 -3.205 0.201 10.055 133 HG23 ILE 21 3HG2 ILE 21 -2.622 -1.466 9.844 134 HD11 ILE 21 3HD1 ILE 21 -5.987 -3.107 9.868 135 HD12 ILE 21 1HD1 ILE 21 -4.470 -3.392 8.990 136 HD13 ILE 21 2HD1 ILE 21 -4.463 -2.525 10.548 137 H LYS 22 H LYS 22 -2.980 2.628 8.254 138 HA LYS 22 HA LYS 22 -1.361 3.223 5.986 139 HB2 LYS 22 1HB LYS 22 -2.098 4.770 7.863 140 HB3 LYS 22 2HB LYS 22 -0.845 4.054 8.874 141 HG2 LYS 22 1HG LYS 22 0.889 4.798 7.255 142 HG3 LYS 22 2HG LYS 22 -0.376 5.451 6.196 143 HD2 LYS 22 1HD LYS 22 -1.057 7.030 7.989 144 HD3 LYS 22 2HD LYS 22 0.210 6.372 9.048 145 HE2 LYS 22 1HE LYS 22 1.937 7.046 7.387 146 HE3 LYS 22 2HE LYS 22 0.675 7.704 6.340 147 HZ1 LYS 22 3HZ LYS 22 1.696 9.442 7.695 148 HZ2 LYS 22 1HZ LYS 22 1.293 8.681 9.080 149 HZ3 LYS 22 2HZ LYS 22 0.126 9.292 8.110 150 H ALA 23 H ALA 23 -0.565 1.371 8.915 151 HA ALA 23 HA ALA 23 2.202 0.998 8.436 152 HB1 ALA 23 1HB ALA 23 1.042 0.546 10.576 153 HB2 ALA 23 2HB ALA 23 0.219 -0.847 9.830 154 HB3 ALA 23 3HB ALA 23 1.981 -0.856 10.026 155 H ASN 24 H ASN 24 -0.590 -0.843 7.139 156 HA ASN 24 HA ASN 24 0.937 -2.968 5.938 157 HB2 ASN 24 1HB ASN 24 -1.781 -1.752 5.262 158 HB3 ASN 24 2HB ASN 24 -1.126 -3.173 4.482 159 HD21 ASN 24 1HD2 ASN 24 -3.507 -3.420 5.577 160 HD22 ASN 24 2HD2 ASN 24 -3.399 -4.442 7.016 161 H LEU 25 H LEU 25 -0.161 0.220 4.675 162 HA LEU 25 HA LEU 25 1.122 -0.050 2.125 163 HB2 LEU 25 1HB LEU 25 -0.672 1.562 2.510 164 HB3 LEU 25 2HB LEU 25 0.295 2.407 3.722 165 HG LEU 25 HG LEU 25 1.949 3.052 1.995 166 HD11 LEU 25 1HD1 LEU 25 1.411 2.726 -0.395 167 HD12 LEU 25 2HD1 LEU 25 0.032 1.690 0.053 168 HD13 LEU 25 3HD1 LEU 25 1.702 1.186 0.401 169 HD21 LEU 25 3HD2 LEU 25 -0.885 3.730 1.190 170 HD22 LEU 25 1HD2 LEU 25 0.576 4.659 0.803 171 HD23 LEU 25 2HD2 LEU 25 0.037 4.528 2.488 172 H ASN 26 H ASN 26 2.298 1.291 5.264 173 HA ASN 26 HA ASN 26 4.804 2.211 4.315 174 HB2 ASN 26 1HB ASN 26 3.780 2.667 6.561 175 HB3 ASN 26 2HB ASN 26 4.175 1.014 7.038 176 HD21 ASN 26 1HD2 ASN 26 5.348 2.186 8.806 177 HD22 ASN 26 2HD2 ASN 26 6.977 2.738 8.452 178 H VAL 27 H VAL 27 3.991 -1.094 5.572 179 HA VAL 27 HA VAL 27 6.583 -2.225 5.020 180 HB VAL 27 HB VAL 27 3.829 -3.499 5.231 181 HG11 VAL 27 1HG1 VAL 27 5.043 -5.641 5.656 182 HG12 VAL 27 2HG1 VAL 27 5.233 -5.078 3.997 183 HG13 VAL 27 3HG1 VAL 27 6.559 -4.855 5.163 184 HG21 VAL 27 3HG2 VAL 27 4.598 -4.168 7.467 185 HG22 VAL 27 1HG2 VAL 27 6.170 -3.382 7.182 186 HG23 VAL 27 2HG2 VAL 27 4.688 -2.412 7.305 187 H HIS 28 H HIS 28 3.664 -1.901 2.931 188 HA HIS 28 HA HIS 28 4.778 -3.349 0.744 189 HB2 HIS 28 1HB HIS 28 2.396 -2.827 0.914 190 HB3 HIS 28 2HB HIS 28 2.723 -1.102 0.800 191 HD1 HIS 28 1HD HIS 28 2.505 -4.195 -1.430 192 HD2 HIS 28 2HD HIS 28 3.378 -0.089 -1.594 193 HE1 HIS 28 1HE HIS 28 2.610 -3.610 -3.900 194 H LEU 29 H LEU 29 4.990 0.126 1.592 195 HA LEU 29 HA LEU 29 6.578 0.923 -0.687 196 HB2 LEU 29 1HB LEU 29 6.263 2.094 2.080 197 HB3 LEU 29 2HB LEU 29 7.191 2.876 0.802 198 HG LEU 29 HG LEU 29 4.315 2.116 0.348 199 HD11 LEU 29 1HD1 LEU 29 3.839 4.494 1.122 200 HD12 LEU 29 2HD1 LEU 29 5.562 4.605 1.608 201 HD13 LEU 29 3HD1 LEU 29 4.488 3.453 2.415 202 HD21 LEU 29 3HD2 LEU 29 4.396 4.087 -1.182 203 HD22 LEU 29 1HD2 LEU 29 5.462 2.778 -1.686 204 HD23 LEU 29 2HD2 LEU 29 6.139 4.220 -0.890 205 H ARG 30 H ARG 30 7.493 -0.413 2.499 206 HA ARG 30 HA ARG 30 10.211 0.243 2.349 207 HB2 ARG 30 1HB ARG 30 8.814 -2.172 3.574 208 HB3 ARG 30 2HB ARG 30 10.562 -2.012 3.637 209 HG2 ARG 30 1HG ARG 30 10.406 0.109 4.842 210 HG3 ARG 30 2HG ARG 30 8.656 0.092 4.719 211 HD2 ARG 30 1HD ARG 30 9.187 -0.653 6.911 212 HD3 ARG 30 2HD ARG 30 8.624 -2.067 6.004 213 HE ARG 30 HE ARG 30 11.536 -1.729 5.964 214 HH11 ARG 30 2HH1 ARG 30 8.983 -3.000 7.995 215 HH12 ARG 30 1HH1 ARG 30 10.052 -4.128 8.782 216 HH21 ARG 30 2HH2 ARG 30 12.845 -3.216 6.987 217 HH22 ARG 30 1HH2 ARG 30 12.172 -4.223 8.239 218 H LYS 31 H LYS 31 8.441 -2.086 0.463 219 HA LYS 31 HA LYS 31 10.762 -3.483 -0.665 220 HB2 LYS 31 1HB LYS 31 7.878 -3.390 -1.639 221 HB3 LYS 31 2HB LYS 31 9.131 -4.503 -2.177 222 HG2 LYS 31 1HG LYS 31 9.291 -5.482 0.079 223 HG3 LYS 31 2HG LYS 31 8.054 -4.362 0.677 224 HD2 LYS 31 1HD LYS 31 6.423 -5.276 -0.947 225 HD3 LYS 31 2HD LYS 31 7.617 -6.459 -1.494 226 HE2 LYS 31 1HE LYS 31 6.583 -6.199 1.372 227 HE3 LYS 31 2HE LYS 31 5.923 -7.316 0.176 228 HZ1 LYS 31 3HZ LYS 31 7.536 -8.435 1.575 229 HZ2 LYS 31 1HZ LYS 31 8.716 -7.377 1.189 230 HZ3 LYS 31 2HZ LYS 31 8.112 -8.386 0.051 231 H HIS 32 H HIS 32 8.928 -0.553 -1.462 232 HA HIS 32 HA HIS 32 10.248 -0.238 -4.076 233 HB2 HIS 32 1HB HIS 32 8.435 1.532 -2.401 234 HB3 HIS 32 2HB HIS 32 9.072 1.986 -3.985 235 HD1 HIS 32 1HD HIS 32 8.504 -0.317 -5.841 236 HD2 HIS 32 2HD HIS 32 5.954 0.826 -2.703 237 HE1 HIS 32 1HE HIS 32 6.239 -1.280 -6.419 238 H THR 33 H THR 33 10.690 1.062 -0.760 239 HA THR 33 HA THR 33 12.831 2.876 -1.674 240 HB THR 33 HB THR 33 12.795 3.722 0.621 241 HG1 THR 33 1HG THR 33 11.270 2.920 2.055 242 HG21 THR 33 3HG2 THR 33 11.174 4.620 -1.049 243 HG22 THR 33 1HG2 THR 33 10.571 4.702 0.614 244 HG23 THR 33 2HG2 THR 33 9.964 3.447 -0.485 245 H GLY 34 H GLY 34 12.755 -0.294 -0.417 246 HA2 GLY 34 1HA GLY 34 14.677 -1.700 -0.122 247 HA3 GLY 34 2HA GLY 34 15.665 -0.294 0.281 248 H GLU 35 H GLU 35 14.247 -2.933 1.593 249 HA GLU 35 HA GLU 35 12.944 -1.772 3.878 250 HB2 GLU 35 1HB GLU 35 12.200 -3.940 4.358 251 HB3 GLU 35 2HB GLU 35 12.182 -3.798 2.615 252 HG2 GLU 35 1HG GLU 35 14.242 -5.278 4.312 253 HG3 GLU 35 2HG GLU 35 12.948 -6.002 3.376 254 H LYS 36 H LYS 36 16.137 -2.104 3.503 255 HA LYS 36 HA LYS 36 16.877 -3.442 5.992 256 HB2 LYS 36 1HB LYS 36 18.695 -2.054 3.988 257 HB3 LYS 36 2HB LYS 36 19.148 -3.229 5.230 258 HG2 LYS 36 1HG LYS 36 17.632 -4.908 4.053 259 HG3 LYS 36 2HG LYS 36 17.467 -3.725 2.737 260 HD2 LYS 36 1HD LYS 36 20.019 -3.733 2.577 261 HD3 LYS 36 2HD LYS 36 20.002 -5.129 3.661 262 HE2 LYS 36 1HE LYS 36 18.728 -4.903 0.896 263 HE3 LYS 36 2HE LYS 36 20.159 -5.843 1.326 264 HZ1 LYS 36 3HZ LYS 36 18.671 -7.192 2.787 265 HZ2 LYS 36 1HZ LYS 36 18.261 -7.290 1.208 266 HZ3 LYS 36 2HZ LYS 36 17.367 -6.367 2.207 Start of MODEL 13 1 H1 GLY 1 1H GLY 1 -3.986 -7.621 -10.974 2 H2 GLY 1 2H GLY 1 -4.336 -6.453 -9.878 3 H3 GLY 1 3H GLY 1 -3.030 -6.296 -10.851 4 HA2 GLY 1 1HA GLY 1 -4.415 -6.112 -12.805 5 HA3 GLY 1 2HA GLY 1 -5.836 -6.318 -11.764 6 H SER 2 H SER 2 -5.033 -4.039 -13.537 7 HA SER 2 HA SER 2 -4.005 -1.864 -12.013 8 HB2 SER 2 1HB SER 2 -4.814 -0.486 -13.919 9 HB3 SER 2 2HB SER 2 -3.858 -1.895 -14.407 10 HG SER 2 HG SER 2 -5.772 -1.647 -15.672 11 H SER 3 H SER 3 -7.276 -3.102 -12.138 12 HA SER 3 HA SER 3 -8.711 -0.802 -11.295 13 HB2 SER 3 1HB SER 3 -9.304 -3.720 -10.674 14 HB3 SER 3 2HB SER 3 -10.459 -2.373 -10.649 15 HG SER 3 HG SER 3 -10.565 -3.557 -12.612 16 H GLY 4 H GLY 4 -6.549 -2.815 -9.416 17 HA2 GLY 4 1HA GLY 4 -5.850 -2.650 -7.219 18 HA3 GLY 4 2HA GLY 4 -6.695 -1.105 -7.129 19 H SER 5 H SER 5 -7.624 -1.302 -5.137 20 HA SER 5 HA SER 5 -9.826 -3.262 -4.837 21 HB2 SER 5 1HB SER 5 -7.750 -4.145 -3.691 22 HB3 SER 5 2HB SER 5 -7.837 -2.749 -2.606 23 HG SER 5 HG SER 5 -9.776 -4.817 -2.999 24 H SER 6 H SER 6 -11.572 -2.549 -3.721 25 HA SER 6 HA SER 6 -11.882 0.352 -3.669 26 HB2 SER 6 1HB SER 6 -13.917 -1.870 -3.291 27 HB3 SER 6 2HB SER 6 -14.278 -0.150 -3.530 28 HG SER 6 HG SER 6 -14.397 -1.348 -5.492 29 H GLY 7 H GLY 7 -13.005 1.551 -2.047 30 HA2 GLY 7 1HA GLY 7 -13.582 2.237 0.063 31 HA3 GLY 7 2HA GLY 7 -13.671 0.542 0.545 32 H LYS 8 H LYS 8 -10.631 1.648 -0.675 33 HA LYS 8 HA LYS 8 -9.400 1.533 2.059 34 HB2 LYS 8 1HB LYS 8 -8.648 0.246 -0.569 35 HB3 LYS 8 2HB LYS 8 -7.493 0.422 0.750 36 HG2 LYS 8 1HG LYS 8 -8.790 -0.934 2.242 37 HG3 LYS 8 2HG LYS 8 -10.201 -0.881 1.189 38 HD2 LYS 8 1HD LYS 8 -8.917 -2.119 -0.562 39 HD3 LYS 8 2HD LYS 8 -7.568 -2.285 0.584 40 HE2 LYS 8 1HE LYS 8 -9.056 -3.499 2.154 41 HE3 LYS 8 2HE LYS 8 -10.418 -3.267 1.047 42 HZ1 LYS 8 3HZ LYS 8 -9.193 -4.561 -0.620 43 HZ2 LYS 8 1HZ LYS 8 -9.463 -5.455 0.727 44 HZ3 LYS 8 2HZ LYS 8 -7.975 -4.842 0.437 45 HA PRO 9 HA PRO 9 -8.148 5.565 0.468 46 HB2 PRO 9 1HB PRO 9 -7.303 6.730 2.788 47 HB3 PRO 9 2HB PRO 9 -9.026 6.413 2.431 48 HG2 PRO 9 1HG PRO 9 -7.115 4.757 4.082 49 HG3 PRO 9 2HG PRO 9 -8.770 5.247 4.517 50 HD2 PRO 9 1HD PRO 9 -8.186 2.787 3.451 51 HD3 PRO 9 2HD PRO 9 -9.714 3.629 3.112 52 H TYR 10 H TYR 10 -5.928 3.553 2.438 53 HA TYR 10 HA TYR 10 -3.643 5.210 1.742 54 HB2 TYR 10 1HB TYR 10 -3.762 2.542 3.181 55 HB3 TYR 10 2HB TYR 10 -2.376 3.623 3.092 56 HD1 TYR 10 2HD TYR 10 -2.594 5.982 4.111 57 HD2 TYR 10 1HD TYR 10 -5.450 2.830 4.831 58 HE1 TYR 10 2HE TYR 10 -3.453 7.204 6.111 59 HE2 TYR 10 1HE TYR 10 -6.272 4.020 6.837 60 HH TYR 10 HH TYR 10 -6.077 5.886 8.168 61 H LYS 11 H LYS 11 -3.252 5.151 -0.415 62 HA LYS 11 HA LYS 11 -2.956 2.525 -1.800 63 HB2 LYS 11 1HB LYS 11 -3.400 5.248 -3.054 64 HB3 LYS 11 2HB LYS 11 -3.366 3.680 -3.869 65 HG2 LYS 11 1HG LYS 11 -5.373 3.046 -2.345 66 HG3 LYS 11 2HG LYS 11 -5.478 4.776 -1.984 67 HD2 LYS 11 1HD LYS 11 -5.541 5.191 -4.494 68 HD3 LYS 11 2HD LYS 11 -5.712 3.451 -4.722 69 HE2 LYS 11 1HE LYS 11 -7.624 5.275 -3.187 70 HE3 LYS 11 2HE LYS 11 -7.859 4.687 -4.833 71 HZ1 LYS 11 3HZ LYS 11 -7.848 2.387 -3.876 72 HZ2 LYS 11 1HZ LYS 11 -9.097 3.305 -3.369 73 HZ3 LYS 11 2HZ LYS 11 -7.851 3.050 -2.359 74 H CYS 12 H CYS 12 -1.294 2.078 -3.180 75 HA CYS 12 HA CYS 12 1.296 3.107 -2.447 76 HB2 CYS 12 1HB CYS 12 0.946 0.793 -2.997 77 HB3 CYS 12 2HB CYS 12 0.429 1.233 -4.630 78 HA PRO 13 HA PRO 13 1.609 6.426 -5.547 79 HB2 PRO 13 1HB PRO 13 4.559 5.969 -5.220 80 HB3 PRO 13 2HB PRO 13 3.632 7.491 -5.090 81 HG2 PRO 13 1HG PRO 13 4.582 6.215 -2.876 82 HG3 PRO 13 2HG PRO 13 2.961 6.984 -2.872 83 HD2 PRO 13 1HD PRO 13 3.625 4.042 -3.284 84 HD3 PRO 13 2HD PRO 13 2.383 4.817 -2.249 85 H GLN 14 H GLN 14 3.130 3.256 -5.793 86 HA GLN 14 HA GLN 14 3.808 3.694 -8.682 87 HB2 GLN 14 1HB GLN 14 5.029 1.769 -6.670 88 HB3 GLN 14 2HB GLN 14 5.460 1.915 -8.380 89 HG2 GLN 14 1HG GLN 14 6.083 4.335 -7.943 90 HG3 GLN 14 2HG GLN 14 5.817 4.038 -6.223 91 HE21 GLN 14 1HE2 GLN 14 8.174 4.820 -6.211 92 HE22 GLN 14 2HE2 GLN 14 9.397 3.578 -6.440 93 H CYS 15 H CYS 15 1.981 1.616 -6.512 94 HA CYS 15 HA CYS 15 1.262 -0.201 -8.788 95 HB2 CYS 15 1HB CYS 15 0.821 -0.760 -5.853 96 HB3 CYS 15 2HB CYS 15 0.825 -1.901 -7.195 97 H SER 16 H SER 16 -0.937 -1.251 -8.475 98 HA SER 16 HA SER 16 -3.096 0.690 -7.973 99 HB2 SER 16 1HB SER 16 -4.554 -1.144 -8.702 100 HB3 SER 16 2HB SER 16 -3.266 -0.829 -9.873 101 HG SER 16 HG SER 16 -3.628 -3.097 -9.344 102 H TYR 17 H TYR 17 -1.173 -1.055 -5.958 103 HA TYR 17 HA TYR 17 -2.789 -2.473 -4.163 104 HB2 TYR 17 1HB TYR 17 -0.381 -2.635 -4.166 105 HB3 TYR 17 2HB TYR 17 -0.213 -0.935 -3.774 106 HD1 TYR 17 1HD TYR 17 -0.698 -0.070 -1.470 107 HD2 TYR 17 2HD TYR 17 -0.886 -4.281 -2.436 108 HE1 TYR 17 1HE TYR 17 -0.698 -0.627 0.941 109 HE2 TYR 17 2HE TYR 17 -0.824 -4.827 -0.008 110 HH TYR 17 HH TYR 17 -0.712 -3.996 2.118 111 H ALA 18 H ALA 18 -4.066 -1.979 -2.478 112 HA ALA 18 HA ALA 18 -3.998 0.685 -1.256 113 HB1 ALA 18 1HB ALA 18 -5.728 0.825 -3.036 114 HB2 ALA 18 2HB ALA 18 -6.595 -0.533 -2.278 115 HB3 ALA 18 3HB ALA 18 -6.401 1.006 -1.402 116 H SER 19 H SER 19 -4.669 0.754 0.860 117 HA SER 19 HA SER 19 -5.568 -1.746 2.226 118 HB2 SER 19 1HB SER 19 -3.121 -1.580 2.436 119 HB3 SER 19 2HB SER 19 -3.281 0.062 3.087 120 HG SER 19 HG SER 19 -3.286 -1.041 4.885 121 H ALA 20 H ALA 20 -6.559 -1.437 4.243 122 HA ALA 20 HA ALA 20 -7.906 1.160 4.728 123 HB1 ALA 20 1HB ALA 20 -9.259 -0.143 6.308 124 HB2 ALA 20 2HB ALA 20 -9.247 -0.909 4.710 125 HB3 ALA 20 3HB ALA 20 -8.245 -1.573 6.024 126 H ILE 21 H ILE 21 -5.021 -0.288 5.605 127 HA ILE 21 HA ILE 21 -4.751 1.282 8.139 128 HB ILE 21 HB ILE 21 -3.571 -1.466 7.574 129 HG12 ILE 21 1HG1 ILE 21 -5.854 -0.746 9.467 130 HG13 ILE 21 2HG1 ILE 21 -6.021 -1.625 7.945 131 HG21 ILE 21 1HG2 ILE 21 -2.162 -0.031 9.045 132 HG22 ILE 21 2HG2 ILE 21 -3.553 0.222 10.123 133 HG23 ILE 21 3HG2 ILE 21 -2.820 -1.383 9.927 134 HD11 ILE 21 3HD1 ILE 21 -4.616 -2.615 10.439 135 HD12 ILE 21 1HD1 ILE 21 -6.067 -3.256 9.658 136 HD13 ILE 21 2HD1 ILE 21 -4.492 -3.407 8.848 137 H LYS 22 H LYS 22 -3.120 2.698 8.080 138 HA LYS 22 HA LYS 22 -1.478 3.116 5.797 139 HB2 LYS 22 1HB LYS 22 -2.258 4.793 7.535 140 HB3 LYS 22 2HB LYS 22 -1.010 4.178 8.618 141 HG2 LYS 22 1HG LYS 22 0.739 4.825 6.975 142 HG3 LYS 22 2HG LYS 22 -0.518 5.368 5.845 143 HD2 LYS 22 1HD LYS 22 -1.259 7.069 7.505 144 HD3 LYS 22 2HD LYS 22 0.009 6.521 8.623 145 HE2 LYS 22 1HE LYS 22 1.740 7.100 6.931 146 HE3 LYS 22 2HE LYS 22 0.476 7.649 5.822 147 HZ1 LYS 22 3HZ LYS 22 -0.124 9.357 7.458 148 HZ2 LYS 22 1HZ LYS 22 1.447 9.509 7.047 149 HZ3 LYS 22 2HZ LYS 22 1.044 8.850 8.484 150 H ALA 23 H ALA 23 -0.705 1.431 8.833 151 HA ALA 23 HA ALA 23 2.090 1.142 8.386 152 HB1 ALA 23 1HB ALA 23 1.944 -0.587 10.110 153 HB2 ALA 23 2HB ALA 23 0.982 0.837 10.553 154 HB3 ALA 23 3HB ALA 23 0.174 -0.632 9.940 155 H ASN 24 H ASN 24 -0.632 -0.777 7.124 156 HA ASN 24 HA ASN 24 0.936 -2.975 6.106 157 HB2 ASN 24 1HB ASN 24 -1.641 -2.704 6.516 158 HB3 ASN 24 2HB ASN 24 -1.623 -1.869 4.962 159 HD21 ASN 24 1HD2 ASN 24 -3.188 -3.534 4.395 160 HD22 ASN 24 2HD2 ASN 24 -2.601 -5.125 3.911 161 H LEU 25 H LEU 25 -0.150 0.152 4.695 162 HA LEU 25 HA LEU 25 1.153 -0.150 2.153 163 HB2 LEU 25 1HB LEU 25 -0.659 1.452 2.484 164 HB3 LEU 25 2HB LEU 25 0.263 2.305 3.720 165 HG LEU 25 HG LEU 25 1.963 2.960 2.035 166 HD11 LEU 25 1HD1 LEU 25 0.061 1.673 0.033 167 HD12 LEU 25 2HD1 LEU 25 1.695 1.092 0.428 168 HD13 LEU 25 3HD1 LEU 25 1.496 2.654 -0.358 169 HD21 LEU 25 3HD2 LEU 25 -0.854 3.682 1.199 170 HD22 LEU 25 1HD2 LEU 25 0.623 4.599 0.857 171 HD23 LEU 25 2HD2 LEU 25 0.056 4.440 2.528 172 H ASN 26 H ASN 26 2.239 1.262 5.285 173 HA ASN 26 HA ASN 26 4.784 2.179 4.475 174 HB2 ASN 26 1HB ASN 26 3.645 2.610 6.636 175 HB3 ASN 26 2HB ASN 26 3.959 0.952 7.134 176 HD21 ASN 26 1HD2 ASN 26 4.837 3.671 8.196 177 HD22 ASN 26 2HD2 ASN 26 6.570 3.454 8.382 178 H VAL 27 H VAL 27 3.949 -1.144 5.677 179 HA VAL 27 HA VAL 27 6.526 -2.280 5.156 180 HB VAL 27 HB VAL 27 3.774 -3.542 5.288 181 HG11 VAL 27 1HG1 VAL 27 5.180 -5.097 4.025 182 HG12 VAL 27 2HG1 VAL 27 6.496 -4.915 5.209 183 HG13 VAL 27 3HG1 VAL 27 4.968 -5.702 5.666 184 HG21 VAL 27 3HG2 VAL 27 4.529 -4.265 7.518 185 HG22 VAL 27 1HG2 VAL 27 6.105 -3.482 7.257 186 HG23 VAL 27 2HG2 VAL 27 4.631 -2.506 7.394 187 H HIS 28 H HIS 28 3.668 -1.964 2.992 188 HA HIS 28 HA HIS 28 4.805 -3.395 0.818 189 HB2 HIS 28 1HB HIS 28 2.430 -2.841 0.978 190 HB3 HIS 28 2HB HIS 28 2.777 -1.125 0.868 191 HD1 HIS 28 1HD HIS 28 2.605 -4.221 -1.377 192 HD2 HIS 28 2HD HIS 28 3.283 -0.076 -1.519 193 HE1 HIS 28 1HE HIS 28 2.595 -3.602 -3.840 194 H LEU 29 H LEU 29 5.077 0.066 1.681 195 HA LEU 29 HA LEU 29 6.609 0.861 -0.636 196 HB2 LEU 29 1HB LEU 29 6.357 2.037 2.135 197 HB3 LEU 29 2HB LEU 29 7.232 2.831 0.828 198 HG LEU 29 HG LEU 29 4.358 2.024 0.453 199 HD11 LEU 29 1HD1 LEU 29 5.585 4.523 1.707 200 HD12 LEU 29 2HD1 LEU 29 4.547 3.345 2.522 201 HD13 LEU 29 3HD1 LEU 29 3.856 4.388 1.253 202 HD21 LEU 29 3HD2 LEU 29 6.075 4.207 -0.797 203 HD22 LEU 29 1HD2 LEU 29 4.343 3.951 -1.087 204 HD23 LEU 29 2HD2 LEU 29 5.498 2.722 -1.592 205 H ARG 30 H ARG 30 7.612 -0.507 2.491 206 HA ARG 30 HA ARG 30 10.316 0.242 2.343 207 HB2 ARG 30 1HB ARG 30 9.068 -2.311 3.454 208 HB3 ARG 30 2HB ARG 30 10.779 -1.935 3.658 209 HG2 ARG 30 1HG ARG 30 10.329 0.024 4.965 210 HG3 ARG 30 2HG ARG 30 8.620 -0.016 4.567 211 HD2 ARG 30 1HD ARG 30 8.613 -2.374 5.699 212 HD3 ARG 30 2HD ARG 30 10.168 -1.868 6.386 213 HE ARG 30 HE ARG 30 8.042 0.114 6.733 214 HH11 ARG 30 2HH1 ARG 30 9.273 -2.828 8.215 215 HH12 ARG 30 1HH1 ARG 30 8.537 -2.445 9.747 216 HH21 ARG 30 2HH2 ARG 30 7.188 0.528 8.628 217 HH22 ARG 30 1HH2 ARG 30 7.372 -0.559 9.993 218 H LYS 31 H LYS 31 8.609 -2.085 0.453 219 HA LYS 31 HA LYS 31 10.915 -3.440 -0.755 220 HB2 LYS 31 1HB LYS 31 7.997 -3.355 -1.629 221 HB3 LYS 31 2HB LYS 31 9.234 -4.465 -2.213 222 HG2 LYS 31 1HG LYS 31 9.451 -5.472 0.019 223 HG3 LYS 31 2HG LYS 31 8.256 -4.342 0.682 224 HD2 LYS 31 1HD LYS 31 6.542 -5.210 -0.872 225 HD3 LYS 31 2HD LYS 31 7.693 -6.397 -1.501 226 HE2 LYS 31 1HE LYS 31 6.800 -6.183 1.416 227 HE3 LYS 31 2HE LYS 31 6.072 -7.269 0.229 228 HZ1 LYS 31 3HZ LYS 31 8.239 -8.360 -0.021 229 HZ2 LYS 31 1HZ LYS 31 7.736 -8.434 1.528 230 HZ3 LYS 31 2HZ LYS 31 8.907 -7.382 1.109 231 H HIS 32 H HIS 32 8.961 -0.556 -1.482 232 HA HIS 32 HA HIS 32 10.172 -0.196 -4.137 233 HB2 HIS 32 1HB HIS 32 8.383 1.529 -2.391 234 HB3 HIS 32 2HB HIS 32 8.960 2.005 -3.992 235 HD1 HIS 32 1HD HIS 32 8.412 -0.322 -5.831 236 HD2 HIS 32 2HD HIS 32 5.903 0.780 -2.645 237 HE1 HIS 32 1HE HIS 32 6.158 -1.346 -6.351 238 H THR 33 H THR 33 10.748 1.093 -0.827 239 HA THR 33 HA THR 33 12.782 2.971 -1.766 240 HB THR 33 HB THR 33 13.272 3.313 0.625 241 HG1 THR 33 1HG THR 33 11.997 2.296 2.142 242 HG21 THR 33 3HG2 THR 33 11.465 4.608 -0.493 243 HG22 THR 33 1HG2 THR 33 11.140 4.342 1.228 244 HG23 THR 33 2HG2 THR 33 10.284 3.377 0.007 245 H GLY 34 H GLY 34 12.925 -0.174 -0.032 246 HA2 GLY 34 1HA GLY 34 14.546 -1.803 0.031 247 HA3 GLY 34 2HA GLY 34 15.097 -1.179 -1.519 248 H GLU 35 H GLU 35 17.248 -1.556 -1.102 249 HA GLU 35 HA GLU 35 18.631 0.543 0.426 250 HB2 GLU 35 1HB GLU 35 18.453 -1.390 1.995 251 HB3 GLU 35 2HB GLU 35 19.289 -2.409 0.818 252 HG2 GLU 35 1HG GLU 35 21.300 -0.985 0.989 253 HG3 GLU 35 2HG GLU 35 20.446 0.126 2.062 254 H LYS 36 H LYS 36 20.498 1.208 -0.571 255 HA LYS 36 HA LYS 36 21.715 -0.313 -2.789 256 HB2 LYS 36 1HB LYS 36 19.829 1.021 -3.770 257 HB3 LYS 36 2HB LYS 36 20.602 2.500 -3.182 258 HG2 LYS 36 1HG LYS 36 22.587 2.022 -4.589 259 HG3 LYS 36 2HG LYS 36 21.850 0.499 -5.127 260 HD2 LYS 36 1HD LYS 36 19.947 1.787 -6.097 261 HD3 LYS 36 2HD LYS 36 20.726 3.301 -5.627 262 HE2 LYS 36 1HE LYS 36 21.923 1.209 -7.510 263 HE3 LYS 36 2HE LYS 36 21.036 2.640 -8.039 264 HZ1 LYS 36 3HZ LYS 36 23.411 3.048 -8.094 265 HZ2 LYS 36 1HZ LYS 36 23.583 2.695 -6.513 266 HZ3 LYS 36 2HZ LYS 36 22.739 4.021 -6.971 Start of MODEL 14 1 H1 GLY 1 1H GLY 1 -9.575 18.201 -1.426 2 H2 GLY 1 2H GLY 1 -8.665 17.680 -2.682 3 H3 GLY 1 3H GLY 1 -7.949 18.406 -1.399 4 HA2 GLY 1 1HA GLY 1 -7.583 16.032 -1.305 5 HA3 GLY 1 2HA GLY 1 -8.560 16.601 0.062 6 H SER 2 H SER 2 -8.668 13.970 -0.528 7 HA SER 2 HA SER 2 -10.814 13.257 -2.358 8 HB2 SER 2 1HB SER 2 -9.000 11.706 -1.863 9 HB3 SER 2 2HB SER 2 -9.467 11.665 -0.150 10 HG SER 2 HG SER 2 -10.296 9.905 -1.485 11 H SER 3 H SER 3 -12.884 12.610 -1.933 12 HA SER 3 HA SER 3 -14.211 13.494 0.546 13 HB2 SER 3 1HB SER 3 -15.341 12.137 -1.928 14 HB3 SER 3 2HB SER 3 -16.277 12.852 -0.601 15 HG SER 3 HG SER 3 -16.064 14.286 -2.385 16 H GLY 4 H GLY 4 -12.477 10.748 -0.182 17 HA2 GLY 4 1HA GLY 4 -12.265 8.758 0.993 18 HA3 GLY 4 2HA GLY 4 -13.712 9.132 1.931 19 H SER 5 H SER 5 -14.379 9.427 -1.390 20 HA SER 5 HA SER 5 -16.053 7.053 -1.460 21 HB2 SER 5 1HB SER 5 -16.639 7.937 -3.728 22 HB3 SER 5 2HB SER 5 -16.878 9.089 -2.404 23 HG SER 5 HG SER 5 -15.800 10.007 -4.248 24 H SER 6 H SER 6 -12.769 7.476 -2.155 25 HA SER 6 HA SER 6 -12.550 5.619 -4.388 26 HB2 SER 6 1HB SER 6 -10.139 6.053 -4.158 27 HB3 SER 6 2HB SER 6 -11.092 7.541 -4.240 28 HG SER 6 HG SER 6 -9.535 7.647 -2.570 29 H GLY 7 H GLY 7 -13.434 4.783 -1.432 30 HA2 GLY 7 1HA GLY 7 -13.473 2.710 -0.383 31 HA3 GLY 7 2HA GLY 7 -12.405 2.074 -1.631 32 H LYS 8 H LYS 8 -10.692 1.196 -0.643 33 HA LYS 8 HA LYS 8 -9.593 1.782 1.906 34 HB2 LYS 8 1HB LYS 8 -8.508 0.428 -0.580 35 HB3 LYS 8 2HB LYS 8 -7.532 0.591 0.875 36 HG2 LYS 8 1HG LYS 8 -9.072 -0.677 2.207 37 HG3 LYS 8 2HG LYS 8 -10.309 -0.640 0.947 38 HD2 LYS 8 1HD LYS 8 -8.874 -2.012 -0.534 39 HD3 LYS 8 2HD LYS 8 -7.613 -2.049 0.712 40 HE2 LYS 8 1HE LYS 8 -9.179 -3.179 2.272 41 HE3 LYS 8 2HE LYS 8 -10.451 -3.120 1.045 42 HZ1 LYS 8 3HZ LYS 8 -9.075 -4.543 -0.370 43 HZ2 LYS 8 1HZ LYS 8 -9.331 -5.277 1.062 44 HZ3 LYS 8 2HZ LYS 8 -7.883 -4.592 0.748 45 HA PRO 9 HA PRO 9 -7.958 5.729 0.630 46 HB2 PRO 9 1HB PRO 9 -7.088 6.730 3.017 47 HB3 PRO 9 2HB PRO 9 -8.814 6.501 2.626 48 HG2 PRO 9 1HG PRO 9 -6.993 4.673 4.192 49 HG3 PRO 9 2HG PRO 9 -8.625 5.214 4.648 50 HD2 PRO 9 1HD PRO 9 -8.150 2.787 3.450 51 HD3 PRO 9 2HD PRO 9 -9.628 3.723 3.145 52 H TYR 10 H TYR 10 -5.828 3.532 2.500 53 HA TYR 10 HA TYR 10 -3.483 5.119 1.829 54 HB2 TYR 10 1HB TYR 10 -3.677 2.434 3.225 55 HB3 TYR 10 2HB TYR 10 -2.263 3.476 3.133 56 HD1 TYR 10 2HD TYR 10 -2.354 5.793 4.218 57 HD2 TYR 10 1HD TYR 10 -5.385 2.791 4.863 58 HE1 TYR 10 2HE TYR 10 -3.157 7.022 6.235 59 HE2 TYR 10 1HE TYR 10 -6.145 3.982 6.892 60 HH TYR 10 HH TYR 10 -5.858 5.814 8.257 61 H LYS 11 H LYS 11 -3.209 5.103 -0.330 62 HA LYS 11 HA LYS 11 -2.972 2.521 -1.809 63 HB2 LYS 11 1HB LYS 11 -3.342 5.297 -2.969 64 HB3 LYS 11 2HB LYS 11 -3.392 3.751 -3.823 65 HG2 LYS 11 1HG LYS 11 -5.408 3.181 -2.276 66 HG3 LYS 11 2HG LYS 11 -5.422 4.905 -1.881 67 HD2 LYS 11 1HD LYS 11 -5.499 5.374 -4.377 68 HD3 LYS 11 2HD LYS 11 -5.745 3.651 -4.647 69 HE2 LYS 11 1HE LYS 11 -7.568 5.497 -3.027 70 HE3 LYS 11 2HE LYS 11 -7.841 4.997 -4.698 71 HZ1 LYS 11 3HZ LYS 11 -9.123 3.604 -3.257 72 HZ2 LYS 11 1HZ LYS 11 -7.851 3.240 -2.313 73 HZ3 LYS 11 2HZ LYS 11 -7.926 2.665 -3.865 74 H CYS 12 H CYS 12 -1.295 2.058 -3.153 75 HA CYS 12 HA CYS 12 1.307 3.116 -2.497 76 HB2 CYS 12 1HB CYS 12 0.938 0.781 -2.994 77 HB3 CYS 12 2HB CYS 12 0.355 1.184 -4.617 78 HA PRO 13 HA PRO 13 1.346 6.283 -5.744 79 HB2 PRO 13 1HB PRO 13 3.947 7.084 -5.584 80 HB3 PRO 13 2HB PRO 13 2.746 7.446 -4.308 81 HG2 PRO 13 1HG PRO 13 4.776 5.191 -4.371 82 HG3 PRO 13 2HG PRO 13 4.434 6.336 -3.034 83 HD2 PRO 13 1HD PRO 13 3.334 3.833 -3.168 84 HD3 PRO 13 2HD PRO 13 2.439 5.210 -2.465 85 H GLN 14 H GLN 14 2.990 3.246 -5.860 86 HA GLN 14 HA GLN 14 3.787 3.680 -8.723 87 HB2 GLN 14 1HB GLN 14 5.012 1.815 -6.661 88 HB3 GLN 14 2HB GLN 14 5.445 1.904 -8.375 89 HG2 GLN 14 1HG GLN 14 6.066 4.329 -8.034 90 HG3 GLN 14 2HG GLN 14 5.774 4.119 -6.308 91 HE21 GLN 14 1HE2 GLN 14 8.119 4.888 -6.252 92 HE22 GLN 14 2HE2 GLN 14 9.351 3.644 -6.418 93 H CYS 15 H CYS 15 1.929 1.603 -6.571 94 HA CYS 15 HA CYS 15 1.261 -0.213 -8.865 95 HB2 CYS 15 1HB CYS 15 0.820 -0.830 -5.944 96 HB3 CYS 15 2HB CYS 15 0.861 -1.946 -7.305 97 H SER 16 H SER 16 -0.907 -1.284 -8.631 98 HA SER 16 HA SER 16 -3.119 0.573 -8.094 99 HB2 SER 16 1HB SER 16 -3.170 -2.378 -8.826 100 HB3 SER 16 2HB SER 16 -4.549 -1.262 -8.838 101 HG SER 16 HG SER 16 -3.626 -1.530 -10.929 102 H TYR 17 H TYR 17 -1.195 -0.973 -5.993 103 HA TYR 17 HA TYR 17 -2.866 -2.489 -4.257 104 HB2 TYR 17 1HB TYR 17 -0.448 -2.707 -4.286 105 HB3 TYR 17 2HB TYR 17 -0.243 -1.024 -3.836 106 HD1 TYR 17 1HD TYR 17 -0.616 -0.238 -1.513 107 HD2 TYR 17 2HD TYR 17 -1.119 -4.389 -2.620 108 HE1 TYR 17 1HE TYR 17 -0.603 -0.873 0.873 109 HE2 TYR 17 2HE TYR 17 -1.069 -5.020 -0.206 110 HH TYR 17 HH TYR 17 -0.605 -2.584 2.371 111 H ALA 18 H ALA 18 -4.115 -1.974 -2.558 112 HA ALA 18 HA ALA 18 -3.859 0.616 -1.228 113 HB1 ALA 18 1HB ALA 18 -6.554 -0.358 -2.263 114 HB2 ALA 18 2HB ALA 18 -6.243 1.115 -1.311 115 HB3 ALA 18 3HB ALA 18 -5.613 0.977 -2.964 116 H SER 19 H SER 19 -4.521 0.618 0.926 117 HA SER 19 HA SER 19 -5.750 -1.833 2.070 118 HB2 SER 19 1HB SER 19 -3.244 -1.979 2.356 119 HB3 SER 19 2HB SER 19 -3.334 -0.516 3.353 120 HG SER 19 HG SER 19 -4.756 -2.969 3.794 121 H ALA 20 H ALA 20 -6.648 -1.540 4.191 122 HA ALA 20 HA ALA 20 -7.767 1.136 4.733 123 HB1 ALA 20 1HB ALA 20 -9.224 -0.857 4.768 124 HB2 ALA 20 2HB ALA 20 -8.224 -1.567 6.058 125 HB3 ALA 20 3HB ALA 20 -9.145 -0.078 6.358 126 H ILE 21 H ILE 21 -4.895 -0.436 5.517 127 HA ILE 21 HA ILE 21 -4.627 0.960 8.154 128 HB ILE 21 HB ILE 21 -3.421 -1.690 7.293 129 HG12 ILE 21 1HG1 ILE 21 -5.669 -1.122 9.280 130 HG13 ILE 21 2HG1 ILE 21 -5.855 -1.891 7.702 131 HG21 ILE 21 1HG2 ILE 21 -3.346 -0.271 10.002 132 HG22 ILE 21 2HG2 ILE 21 -2.605 -1.839 9.618 133 HG23 ILE 21 3HG2 ILE 21 -1.981 -0.388 8.872 134 HD11 ILE 21 3HD1 ILE 21 -4.429 -3.067 10.104 135 HD12 ILE 21 1HD1 ILE 21 -5.913 -3.622 9.320 136 HD13 ILE 21 2HD1 ILE 21 -4.365 -3.761 8.462 137 H LYS 22 H LYS 22 -3.128 2.469 8.234 138 HA LYS 22 HA LYS 22 -1.457 3.235 6.073 139 HB2 LYS 22 1HB LYS 22 -2.359 4.646 7.973 140 HB3 LYS 22 2HB LYS 22 -1.130 3.947 9.025 141 HG2 LYS 22 1HG LYS 22 0.653 4.885 7.592 142 HG3 LYS 22 2HG LYS 22 -0.563 5.502 6.456 143 HD2 LYS 22 1HD LYS 22 -1.503 6.939 8.261 144 HD3 LYS 22 2HD LYS 22 -0.267 6.327 9.382 145 HE2 LYS 22 1HE LYS 22 1.516 7.217 7.897 146 HE3 LYS 22 2HE LYS 22 0.288 7.818 6.775 147 HZ1 LYS 22 3HZ LYS 22 -0.528 9.274 8.556 148 HZ2 LYS 22 1HZ LYS 22 1.051 9.570 8.275 149 HZ3 LYS 22 2HZ LYS 22 0.607 8.717 9.592 150 H ALA 23 H ALA 23 -0.636 1.365 8.985 151 HA ALA 23 HA ALA 23 2.159 1.126 8.548 152 HB1 ALA 23 1HB ALA 23 0.997 0.609 10.666 153 HB2 ALA 23 2HB ALA 23 0.224 -0.801 9.898 154 HB3 ALA 23 3HB ALA 23 1.985 -0.758 10.115 155 H ASN 24 H ASN 24 -0.552 -0.758 7.181 156 HA ASN 24 HA ASN 24 1.082 -2.866 6.092 157 HB2 ASN 24 1HB ASN 24 -1.456 -2.827 6.636 158 HB3 ASN 24 2HB ASN 24 -1.659 -1.979 5.109 159 HD21 ASN 24 1HD2 ASN 24 -3.005 -3.794 4.558 160 HD22 ASN 24 2HD2 ASN 24 -2.271 -5.303 4.009 161 H LEU 25 H LEU 25 -0.160 0.236 4.743 162 HA LEU 25 HA LEU 25 1.081 -0.069 2.162 163 HB2 LEU 25 1HB LEU 25 -0.696 1.565 2.535 164 HB3 LEU 25 2HB LEU 25 0.281 2.409 3.741 165 HG LEU 25 HG LEU 25 1.951 3.005 2.000 166 HD11 LEU 25 1HD1 LEU 25 -0.003 1.659 0.086 167 HD12 LEU 25 2HD1 LEU 25 1.665 1.139 0.424 168 HD13 LEU 25 3HD1 LEU 25 1.386 2.670 -0.391 169 HD21 LEU 25 3HD2 LEU 25 -0.848 3.777 1.175 170 HD22 LEU 25 1HD2 LEU 25 0.649 4.650 0.820 171 HD23 LEU 25 2HD2 LEU 25 0.078 4.531 2.495 172 H ASN 26 H ASN 26 2.284 1.242 5.301 173 HA ASN 26 HA ASN 26 4.794 2.157 4.243 174 HB2 ASN 26 1HB ASN 26 3.812 1.467 7.015 175 HB3 ASN 26 2HB ASN 26 5.530 1.709 6.729 176 HD21 ASN 26 1HD2 ASN 26 2.349 3.355 6.282 177 HD22 ASN 26 2HD2 ASN 26 3.068 4.962 6.361 178 H VAL 27 H VAL 27 3.941 -1.102 5.576 179 HA VAL 27 HA VAL 27 6.539 -2.233 5.023 180 HB VAL 27 HB VAL 27 3.778 -3.515 5.224 181 HG11 VAL 27 1HG1 VAL 27 5.192 -5.082 3.987 182 HG12 VAL 27 2HG1 VAL 27 6.517 -4.857 5.155 183 HG13 VAL 27 3HG1 VAL 27 5.003 -5.654 5.643 184 HG21 VAL 27 3HG2 VAL 27 4.553 -4.193 7.461 185 HG22 VAL 27 1HG2 VAL 27 6.120 -3.400 7.179 186 HG23 VAL 27 2HG2 VAL 27 4.635 -2.435 7.308 187 H HIS 28 H HIS 28 3.622 -1.902 2.936 188 HA HIS 28 HA HIS 28 4.739 -3.336 0.741 189 HB2 HIS 28 1HB HIS 28 2.357 -2.814 0.930 190 HB3 HIS 28 2HB HIS 28 2.685 -1.090 0.806 191 HD1 HIS 28 1HD HIS 28 2.443 -4.192 -1.406 192 HD2 HIS 28 2HD HIS 28 3.311 -0.088 -1.598 193 HE1 HIS 28 1HE HIS 28 2.510 -3.617 -3.880 194 H LEU 29 H LEU 29 4.957 0.133 1.612 195 HA LEU 29 HA LEU 29 6.569 0.926 -0.656 196 HB2 LEU 29 1HB LEU 29 6.225 2.116 2.100 197 HB3 LEU 29 2HB LEU 29 7.158 2.882 0.813 198 HG LEU 29 HG LEU 29 4.267 2.147 0.388 199 HD11 LEU 29 1HD1 LEU 29 3.840 4.551 1.090 200 HD12 LEU 29 2HD1 LEU 29 5.569 4.653 1.553 201 HD13 LEU 29 3HD1 LEU 29 4.488 3.545 2.409 202 HD21 LEU 29 3HD2 LEU 29 6.126 4.179 -0.922 203 HD22 LEU 29 1HD2 LEU 29 4.379 4.072 -1.199 204 HD23 LEU 29 2HD2 LEU 29 5.416 2.731 -1.675 205 H ARG 30 H ARG 30 7.423 -0.396 2.547 206 HA ARG 30 HA ARG 30 10.149 0.246 2.445 207 HB2 ARG 30 1HB ARG 30 8.623 -2.022 3.780 208 HB3 ARG 30 2HB ARG 30 10.380 -1.968 3.877 209 HG2 ARG 30 1HG ARG 30 10.371 0.169 4.959 210 HG3 ARG 30 2HG ARG 30 8.662 0.402 4.696 211 HD2 ARG 30 1HD ARG 30 9.051 -0.191 7.004 212 HD3 ARG 30 2HD ARG 30 8.157 -1.494 6.210 213 HE ARG 30 HE ARG 30 10.986 -2.016 6.094 214 HH11 ARG 30 2HH1 ARG 30 8.405 -2.050 8.465 215 HH12 ARG 30 1HH1 ARG 30 9.180 -3.283 9.422 216 HH21 ARG 30 2HH2 ARG 30 11.918 -3.584 7.364 217 HH22 ARG 30 1HH2 ARG 30 11.121 -4.114 8.815 218 H LYS 31 H LYS 31 8.433 -2.018 0.519 219 HA LYS 31 HA LYS 31 10.784 -3.436 -0.553 220 HB2 LYS 31 1HB LYS 31 7.914 -3.342 -1.567 221 HB3 LYS 31 2HB LYS 31 9.182 -4.436 -2.111 222 HG2 LYS 31 1HG LYS 31 9.307 -5.467 0.122 223 HG3 LYS 31 2HG LYS 31 8.061 -4.362 0.730 224 HD2 LYS 31 1HD LYS 31 6.453 -5.238 -0.941 225 HD3 LYS 31 2HD LYS 31 7.656 -6.407 -1.498 226 HE2 LYS 31 1HE LYS 31 6.577 -6.217 1.356 227 HE3 LYS 31 2HE LYS 31 5.940 -7.307 0.123 228 HZ1 LYS 31 3HZ LYS 31 8.716 -7.386 1.181 229 HZ2 LYS 31 1HZ LYS 31 8.133 -8.368 0.008 230 HZ3 LYS 31 2HZ LYS 31 7.534 -8.455 1.521 231 H HIS 32 H HIS 32 8.840 -0.564 -1.420 232 HA HIS 32 HA HIS 32 10.147 -0.244 -4.024 233 HB2 HIS 32 1HB HIS 32 8.325 1.542 -2.370 234 HB3 HIS 32 2HB HIS 32 8.950 1.969 -3.961 235 HD1 HIS 32 1HD HIS 32 8.411 -0.312 -5.807 236 HD2 HIS 32 2HD HIS 32 5.858 0.762 -2.650 237 HE1 HIS 32 1HE HIS 32 6.158 -1.300 -6.390 238 H THR 33 H THR 33 10.740 1.023 -0.725 239 HA THR 33 HA THR 33 12.575 3.081 -1.561 240 HB THR 33 HB THR 33 13.321 3.058 0.834 241 HG1 THR 33 1HG THR 33 12.974 0.995 1.485 242 HG21 THR 33 3HG2 THR 33 11.437 4.467 0.107 243 HG22 THR 33 1HG2 THR 33 11.195 3.854 1.754 244 HG23 THR 33 2HG2 THR 33 10.305 3.128 0.400 245 H GLY 34 H GLY 34 13.067 -0.352 -0.976 246 HA2 GLY 34 1HA GLY 34 14.838 -1.729 -1.505 247 HA3 GLY 34 2HA GLY 34 15.500 -0.400 -2.447 248 H GLU 35 H GLU 35 17.570 -1.208 -1.823 249 HA GLU 35 HA GLU 35 18.468 -0.970 0.966 250 HB2 GLU 35 1HB GLU 35 20.584 -1.800 0.174 251 HB3 GLU 35 2HB GLU 35 19.267 -2.817 -0.405 252 HG2 GLU 35 1HG GLU 35 19.400 -1.685 -2.638 253 HG3 GLU 35 2HG GLU 35 20.750 -0.714 -2.049 254 H LYS 36 H LYS 36 20.335 0.280 1.589 255 HA LYS 36 HA LYS 36 21.030 2.689 0.056 256 HB2 LYS 36 1HB LYS 36 20.501 4.234 1.853 257 HB3 LYS 36 2HB LYS 36 19.047 3.420 1.279 258 HG2 LYS 36 1HG LYS 36 19.121 1.897 3.258 259 HG3 LYS 36 2HG LYS 36 20.576 2.736 3.833 260 HD2 LYS 36 1HD LYS 36 19.299 4.857 3.975 261 HD3 LYS 36 2HD LYS 36 17.841 4.015 3.405 262 HE2 LYS 36 1HE LYS 36 17.951 2.498 5.368 263 HE3 LYS 36 2HE LYS 36 19.409 3.323 5.933 264 HZ1 LYS 36 3HZ LYS 36 16.739 4.598 5.640 265 HZ2 LYS 36 1HZ LYS 36 18.088 5.360 6.162 266 HZ3 LYS 36 2HZ LYS 36 17.428 4.165 7.054 Start of MODEL 15 1 H1 GLY 1 1H GLY 1 -12.451 -18.057 -0.089 2 H2 GLY 1 2H GLY 1 -12.221 -16.649 0.716 3 H3 GLY 1 3H GLY 1 -11.031 -17.250 -0.233 4 HA2 GLY 1 1HA GLY 1 -12.371 -16.947 -2.213 5 HA3 GLY 1 2HA GLY 1 -13.649 -16.283 -1.182 6 H SER 2 H SER 2 -13.417 -14.439 -2.692 7 HA SER 2 HA SER 2 -11.664 -12.362 -1.564 8 HB2 SER 2 1HB SER 2 -10.792 -11.652 -3.741 9 HB3 SER 2 2HB SER 2 -10.241 -13.278 -3.331 10 HG SER 2 HG SER 2 -11.756 -14.139 -4.757 11 H SER 3 H SER 3 -12.190 -10.181 -2.465 12 HA SER 3 HA SER 3 -14.917 -9.875 -3.587 13 HB2 SER 3 1HB SER 3 -15.562 -8.290 -1.845 14 HB3 SER 3 2HB SER 3 -15.224 -9.883 -1.154 15 HG SER 3 HG SER 3 -14.264 -8.197 0.068 16 H GLY 4 H GLY 4 -15.406 -7.729 -4.325 17 HA2 GLY 4 1HA GLY 4 -13.145 -6.426 -5.650 18 HA3 GLY 4 2HA GLY 4 -14.860 -6.084 -5.865 19 H SER 5 H SER 5 -14.090 -5.972 -2.545 20 HA SER 5 HA SER 5 -14.880 -3.298 -2.281 21 HB2 SER 5 1HB SER 5 -13.315 -5.010 -0.315 22 HB3 SER 5 2HB SER 5 -14.203 -3.521 0.074 23 HG SER 5 HG SER 5 -15.462 -5.397 0.482 24 H SER 6 H SER 6 -13.897 -1.531 -2.884 25 HA SER 6 HA SER 6 -10.918 -1.259 -2.732 26 HB2 SER 6 1HB SER 6 -12.846 -0.128 -4.789 27 HB3 SER 6 2HB SER 6 -11.093 0.130 -4.750 28 HG SER 6 HG SER 6 -12.451 -2.359 -5.073 29 H GLY 7 H GLY 7 -13.344 -0.215 -0.945 30 HA2 GLY 7 1HA GLY 7 -12.997 2.674 -0.872 31 HA3 GLY 7 2HA GLY 7 -13.868 1.673 0.291 32 H LYS 8 H LYS 8 -10.488 1.940 -0.799 33 HA LYS 8 HA LYS 8 -9.473 1.785 2.022 34 HB2 LYS 8 1HB LYS 8 -8.552 0.562 -0.589 35 HB3 LYS 8 2HB LYS 8 -7.503 0.642 0.823 36 HG2 LYS 8 1HG LYS 8 -8.836 -0.825 2.093 37 HG3 LYS 8 2HG LYS 8 -10.272 -0.555 1.103 38 HD2 LYS 8 1HD LYS 8 -9.256 -1.740 -0.790 39 HD3 LYS 8 2HD LYS 8 -7.781 -2.035 0.156 40 HE2 LYS 8 1HE LYS 8 -8.965 -3.423 1.734 41 HE3 LYS 8 2HE LYS 8 -10.538 -2.925 1.094 42 HZ1 LYS 8 3HZ LYS 8 -8.558 -4.479 -0.479 43 HZ2 LYS 8 1HZ LYS 8 -10.088 -4.083 -0.938 44 HZ3 LYS 8 2HZ LYS 8 -9.844 -5.134 0.289 45 HA PRO 9 HA PRO 9 -7.961 5.790 0.667 46 HB2 PRO 9 1HB PRO 9 -7.059 6.804 3.032 47 HB3 PRO 9 2HB PRO 9 -8.791 6.565 2.673 48 HG2 PRO 9 1HG PRO 9 -6.936 4.780 4.241 49 HG3 PRO 9 2HG PRO 9 -8.582 5.288 4.687 50 HD2 PRO 9 1HD PRO 9 -8.004 2.862 3.494 51 HD3 PRO 9 2HD PRO 9 -9.544 3.719 3.248 52 H TYR 10 H TYR 10 -5.805 3.604 2.524 53 HA TYR 10 HA TYR 10 -3.465 5.181 1.828 54 HB2 TYR 10 1HB TYR 10 -3.657 2.496 3.229 55 HB3 TYR 10 2HB TYR 10 -2.241 3.534 3.143 56 HD1 TYR 10 2HD TYR 10 -2.417 5.919 4.155 57 HD2 TYR 10 1HD TYR 10 -5.289 2.794 4.922 58 HE1 TYR 10 2HE TYR 10 -3.236 7.151 6.163 59 HE2 TYR 10 1HE TYR 10 -6.067 3.992 6.942 60 HH TYR 10 HH TYR 10 -5.838 5.862 8.265 61 H LYS 11 H LYS 11 -3.043 5.142 -0.318 62 HA LYS 11 HA LYS 11 -2.890 2.531 -1.768 63 HB2 LYS 11 1HB LYS 11 -3.404 5.288 -2.927 64 HB3 LYS 11 2HB LYS 11 -3.360 3.750 -3.801 65 HG2 LYS 11 1HG LYS 11 -5.255 2.965 -2.269 66 HG3 LYS 11 2HG LYS 11 -5.396 4.637 -1.717 67 HD2 LYS 11 1HD LYS 11 -5.793 5.367 -4.057 68 HD3 LYS 11 2HD LYS 11 -5.691 3.676 -4.597 69 HE2 LYS 11 1HE LYS 11 -7.590 3.091 -3.093 70 HE3 LYS 11 2HE LYS 11 -7.698 4.771 -2.571 71 HZ1 LYS 11 3HZ LYS 11 -8.233 5.388 -4.869 72 HZ2 LYS 11 1HZ LYS 11 -9.304 4.284 -4.326 73 HZ3 LYS 11 2HZ LYS 11 -8.126 3.833 -5.361 74 H CYS 12 H CYS 12 -1.250 2.056 -3.156 75 HA CYS 12 HA CYS 12 1.353 3.122 -2.536 76 HB2 CYS 12 1HB CYS 12 1.002 0.787 -3.028 77 HB3 CYS 12 2HB CYS 12 0.400 1.178 -4.647 78 HA PRO 13 HA PRO 13 1.348 6.336 -5.719 79 HB2 PRO 13 1HB PRO 13 3.975 7.088 -5.620 80 HB3 PRO 13 2HB PRO 13 2.808 7.460 -4.316 81 HG2 PRO 13 1HG PRO 13 4.791 5.167 -4.450 82 HG3 PRO 13 2HG PRO 13 4.506 6.306 -3.094 83 HD2 PRO 13 1HD PRO 13 3.357 3.834 -3.205 84 HD3 PRO 13 2HD PRO 13 2.485 5.224 -2.500 85 H GLN 14 H GLN 14 2.921 3.278 -5.956 86 HA GLN 14 HA GLN 14 3.567 3.749 -8.852 87 HB2 GLN 14 1HB GLN 14 5.037 2.013 -6.833 88 HB3 GLN 14 2HB GLN 14 5.337 2.034 -8.578 89 HG2 GLN 14 1HG GLN 14 5.784 4.531 -8.391 90 HG3 GLN 14 2HG GLN 14 5.739 4.342 -6.634 91 HE21 GLN 14 1HE2 GLN 14 7.322 2.585 -5.739 92 HE22 GLN 14 2HE2 GLN 14 8.876 2.507 -6.558 93 H CYS 15 H CYS 15 1.954 1.580 -6.590 94 HA CYS 15 HA CYS 15 1.264 -0.264 -8.854 95 HB2 CYS 15 1HB CYS 15 0.873 -0.849 -5.919 96 HB3 CYS 15 2HB CYS 15 0.902 -1.981 -7.269 97 H SER 16 H SER 16 -0.877 -1.411 -8.497 98 HA SER 16 HA SER 16 -3.130 0.428 -8.063 99 HB2 SER 16 1HB SER 16 -4.480 -1.565 -8.691 100 HB3 SER 16 2HB SER 16 -3.257 -1.137 -9.898 101 HG SER 16 HG SER 16 -3.292 -3.400 -9.450 102 H TYR 17 H TYR 17 -1.148 -1.093 -5.943 103 HA TYR 17 HA TYR 17 -2.780 -2.528 -4.139 104 HB2 TYR 17 1HB TYR 17 -0.377 -2.717 -4.130 105 HB3 TYR 17 2HB TYR 17 -0.185 -1.008 -3.783 106 HD1 TYR 17 1HD TYR 17 -0.653 -0.077 -1.522 107 HD2 TYR 17 2HD TYR 17 -0.956 -4.306 -2.355 108 HE1 TYR 17 1HE TYR 17 -0.731 -0.554 0.912 109 HE2 TYR 17 2HE TYR 17 -0.970 -4.775 0.092 110 HH TYR 17 HH TYR 17 -0.894 -3.883 2.187 111 H ALA 18 H ALA 18 -4.078 -1.999 -2.506 112 HA ALA 18 HA ALA 18 -3.948 0.640 -1.237 113 HB1 ALA 18 1HB ALA 18 -5.695 0.823 -3.022 114 HB2 ALA 18 2HB ALA 18 -6.582 -0.510 -2.251 115 HB3 ALA 18 3HB ALA 18 -6.339 1.024 -1.380 116 H SER 19 H SER 19 -4.575 0.636 0.932 117 HA SER 19 HA SER 19 -5.850 -1.785 2.067 118 HB2 SER 19 1HB SER 19 -3.354 -2.033 2.323 119 HB3 SER 19 2HB SER 19 -3.367 -0.583 3.341 120 HG SER 19 HG SER 19 -4.855 -2.997 3.776 121 H ALA 20 H ALA 20 -6.690 -1.489 4.216 122 HA ALA 20 HA ALA 20 -7.754 1.202 4.779 123 HB1 ALA 20 1HB ALA 20 -9.238 -0.768 4.829 124 HB2 ALA 20 2HB ALA 20 -8.235 -1.495 6.107 125 HB3 ALA 20 3HB ALA 20 -9.131 0.007 6.419 126 H ILE 21 H ILE 21 -4.891 -0.399 5.523 127 HA ILE 21 HA ILE 21 -4.556 1.031 8.136 128 HB ILE 21 HB ILE 21 -3.393 -1.647 7.299 129 HG12 ILE 21 1HG1 ILE 21 -5.587 -1.029 9.330 130 HG13 ILE 21 2HG1 ILE 21 -5.821 -1.816 7.769 131 HG21 ILE 21 1HG2 ILE 21 -1.904 -0.335 8.820 132 HG22 ILE 21 2HG2 ILE 21 -3.242 -0.175 9.976 133 HG23 ILE 21 3HG2 ILE 21 -2.529 -1.760 9.611 134 HD11 ILE 21 3HD1 ILE 21 -4.344 -2.972 10.148 135 HD12 ILE 21 1HD1 ILE 21 -5.846 -3.529 9.404 136 HD13 ILE 21 2HD1 ILE 21 -4.318 -3.685 8.513 137 H LYS 22 H LYS 22 -3.033 2.534 8.143 138 HA LYS 22 HA LYS 22 -1.402 3.193 5.912 139 HB2 LYS 22 1HB LYS 22 -2.249 4.692 7.779 140 HB3 LYS 22 2HB LYS 22 -0.977 4.042 8.812 141 HG2 LYS 22 1HG LYS 22 0.745 4.896 7.250 142 HG3 LYS 22 2HG LYS 22 -0.523 5.464 6.145 143 HD2 LYS 22 1HD LYS 22 -1.394 6.950 7.965 144 HD3 LYS 22 2HD LYS 22 -0.054 6.457 9.001 145 HE2 LYS 22 1HE LYS 22 0.235 7.816 6.276 146 HE3 LYS 22 2HE LYS 22 0.237 8.670 7.820 147 HZ1 LYS 22 3HZ LYS 22 2.219 7.399 8.458 148 HZ2 LYS 22 1HZ LYS 22 2.492 8.244 7.092 149 HZ3 LYS 22 2HZ LYS 22 2.245 6.635 7.007 150 H ALA 23 H ALA 23 -0.556 1.401 8.865 151 HA ALA 23 HA ALA 23 2.231 1.124 8.351 152 HB1 ALA 23 1HB ALA 23 0.330 -0.695 9.878 153 HB2 ALA 23 2HB ALA 23 2.101 -0.664 10.024 154 HB3 ALA 23 3HB ALA 23 1.151 0.746 10.534 155 H ASN 24 H ASN 24 -0.536 -0.721 7.066 156 HA ASN 24 HA ASN 24 1.052 -2.910 6.035 157 HB2 ASN 24 1HB ASN 24 -1.480 -2.803 6.563 158 HB3 ASN 24 2HB ASN 24 -1.655 -1.966 5.020 159 HD21 ASN 24 1HD2 ASN 24 -3.067 -3.791 4.566 160 HD22 ASN 24 2HD2 ASN 24 -2.374 -5.334 4.058 161 H LEU 25 H LEU 25 -0.123 0.197 4.668 162 HA LEU 25 HA LEU 25 1.151 -0.099 2.110 163 HB2 LEU 25 1HB LEU 25 -0.639 1.523 2.467 164 HB3 LEU 25 2HB LEU 25 0.315 2.366 3.691 165 HG LEU 25 HG LEU 25 1.999 2.992 1.981 166 HD11 LEU 25 1HD1 LEU 25 0.065 1.698 0.014 167 HD12 LEU 25 2HD1 LEU 25 1.710 1.131 0.380 168 HD13 LEU 25 3HD1 LEU 25 1.486 2.685 -0.413 169 HD21 LEU 25 3HD2 LEU 25 -0.812 3.741 1.165 170 HD22 LEU 25 1HD2 LEU 25 0.671 4.636 0.797 171 HD23 LEU 25 2HD2 LEU 25 0.119 4.503 2.477 172 H ASN 26 H ASN 26 2.308 1.279 5.237 173 HA ASN 26 HA ASN 26 4.837 2.182 4.353 174 HB2 ASN 26 1HB ASN 26 3.737 2.603 6.550 175 HB3 ASN 26 2HB ASN 26 4.116 0.957 7.040 176 HD21 ASN 26 1HD2 ASN 26 4.927 3.620 8.160 177 HD22 ASN 26 2HD2 ASN 26 6.677 3.516 8.231 178 H VAL 27 H VAL 27 3.996 -1.142 5.546 179 HA VAL 27 HA VAL 27 6.575 -2.279 4.949 180 HB VAL 27 HB VAL 27 3.816 -3.547 5.171 181 HG11 VAL 27 1HG1 VAL 27 5.044 -5.694 5.567 182 HG12 VAL 27 2HG1 VAL 27 5.212 -5.113 3.912 183 HG13 VAL 27 3HG1 VAL 27 6.552 -4.894 5.064 184 HG21 VAL 27 3HG2 VAL 27 4.701 -2.484 7.255 185 HG22 VAL 27 1HG2 VAL 27 4.616 -4.243 7.397 186 HG23 VAL 27 2HG2 VAL 27 6.182 -3.449 7.101 187 H HIS 28 H HIS 28 3.647 -1.926 2.879 188 HA HIS 28 HA HIS 28 4.741 -3.372 0.683 189 HB2 HIS 28 1HB HIS 28 2.367 -2.822 0.859 190 HB3 HIS 28 2HB HIS 28 2.716 -1.101 0.759 191 HD1 HIS 28 1HD HIS 28 2.493 -4.181 -1.496 192 HD2 HIS 28 2HD HIS 28 3.365 -0.075 -1.629 193 HE1 HIS 28 1HE HIS 28 2.621 -3.585 -3.960 194 H LEU 29 H LEU 29 5.004 0.092 1.542 195 HA LEU 29 HA LEU 29 6.607 0.873 -0.745 196 HB2 LEU 29 1HB LEU 29 6.284 2.048 2.014 197 HB3 LEU 29 2HB LEU 29 7.203 2.840 0.742 198 HG LEU 29 HG LEU 29 4.326 2.073 0.286 199 HD11 LEU 29 1HD1 LEU 29 5.546 4.542 1.612 200 HD12 LEU 29 2HD1 LEU 29 4.488 3.357 2.390 201 HD13 LEU 29 3HD1 LEU 29 3.826 4.425 1.125 202 HD21 LEU 29 3HD2 LEU 29 5.469 2.798 -1.730 203 HD22 LEU 29 1HD2 LEU 29 6.115 4.234 -0.900 204 HD23 LEU 29 2HD2 LEU 29 4.375 4.071 -1.199 205 H ARG 30 H ARG 30 7.452 -0.465 2.462 206 HA ARG 30 HA ARG 30 10.188 0.158 2.337 207 HB2 ARG 30 1HB ARG 30 8.655 -2.087 3.699 208 HB3 ARG 30 2HB ARG 30 10.413 -2.023 3.806 209 HG2 ARG 30 1HG ARG 30 10.407 0.101 4.859 210 HG3 ARG 30 2HG ARG 30 8.703 0.375 4.550 211 HD2 ARG 30 1HD ARG 30 8.097 -1.444 6.080 212 HD3 ARG 30 2HD ARG 30 9.788 -1.841 6.341 213 HE ARG 30 HE ARG 30 8.346 0.633 7.210 214 HH11 ARG 30 2HH1 ARG 30 11.337 -1.271 7.480 215 HH12 ARG 30 1HH1 ARG 30 11.851 -0.350 8.869 216 HH21 ARG 30 2HH2 ARG 30 9.100 1.698 8.980 217 HH22 ARG 30 1HH2 ARG 30 10.640 1.287 9.679 218 H LYS 31 H LYS 31 8.424 -2.132 0.462 219 HA LYS 31 HA LYS 31 10.756 -3.598 -0.590 220 HB2 LYS 31 1HB LYS 31 7.893 -3.471 -1.625 221 HB3 LYS 31 2HB LYS 31 9.153 -4.587 -2.146 222 HG2 LYS 31 1HG LYS 31 9.260 -5.558 0.138 223 HG3 LYS 31 2HG LYS 31 7.965 -4.466 0.664 224 HD2 LYS 31 1HD LYS 31 6.430 -5.458 -1.013 225 HD3 LYS 31 2HD LYS 31 7.722 -6.567 -1.530 226 HE2 LYS 31 1HE LYS 31 7.850 -7.467 0.797 227 HE3 LYS 31 2HE LYS 31 6.530 -6.392 1.278 228 HZ1 LYS 31 3HZ LYS 31 6.323 -8.545 -0.765 229 HZ2 LYS 31 1HZ LYS 31 5.098 -7.555 -0.328 230 HZ3 LYS 31 2HZ LYS 31 5.715 -8.619 0.744 231 H HIS 32 H HIS 32 8.958 -0.644 -1.431 232 HA HIS 32 HA HIS 32 10.298 -0.399 -4.045 233 HB2 HIS 32 1HB HIS 32 8.484 1.435 -2.435 234 HB3 HIS 32 2HB HIS 32 9.132 1.824 -4.025 235 HD1 HIS 32 1HD HIS 32 8.559 -0.720 -5.693 236 HD2 HIS 32 2HD HIS 32 5.964 0.947 -2.836 237 HE1 HIS 32 1HE HIS 32 6.240 -1.505 -6.332 238 H THR 33 H THR 33 10.636 1.110 -0.797 239 HA THR 33 HA THR 33 13.279 2.235 -1.490 240 HB THR 33 HB THR 33 11.570 3.778 -2.470 241 HG1 THR 33 1HG THR 33 12.556 5.596 -1.674 242 HG21 THR 33 3HG2 THR 33 10.257 5.244 -1.054 243 HG22 THR 33 1HG2 THR 33 10.839 4.438 0.416 244 HG23 THR 33 2HG2 THR 33 9.793 3.568 -0.728 245 H GLY 34 H GLY 34 14.037 3.710 0.326 246 HA2 GLY 34 1HA GLY 34 14.453 4.299 2.491 247 HA3 GLY 34 2HA GLY 34 12.913 3.571 2.938 248 H GLU 35 H GLU 35 13.337 0.873 2.461 249 HA GLU 35 HA GLU 35 15.108 0.213 4.715 250 HB2 GLU 35 1HB GLU 35 12.766 -0.614 4.491 251 HB3 GLU 35 2HB GLU 35 13.286 -1.628 3.138 252 HG2 GLU 35 1HG GLU 35 14.769 -2.900 4.577 253 HG3 GLU 35 2HG GLU 35 14.557 -1.752 5.903 254 H LYS 36 H LYS 36 16.778 -1.288 4.727 255 HA LYS 36 HA LYS 36 18.018 -2.130 2.158 256 HB2 LYS 36 1HB LYS 36 18.944 0.081 2.863 257 HB3 LYS 36 2HB LYS 36 19.468 -0.644 4.390 258 HG2 LYS 36 1HG LYS 36 20.888 -2.260 3.092 259 HG3 LYS 36 2HG LYS 36 20.402 -1.458 1.595 260 HD2 LYS 36 1HD LYS 36 21.907 -0.157 3.910 261 HD3 LYS 36 2HD LYS 36 22.636 -0.753 2.414 262 HE2 LYS 36 1HE LYS 36 21.265 0.862 1.103 263 HE3 LYS 36 2HE LYS 36 20.571 1.486 2.605 264 HZ1 LYS 36 3HZ LYS 36 22.432 2.852 1.864 265 HZ2 LYS 36 1HZ LYS 36 23.456 1.583 1.898 266 HZ3 LYS 36 2HZ LYS 36 22.813 2.154 3.288 Start of MODEL 16 1 H1 GLY 1 1H GLY 1 -11.792 7.110 -10.579 2 H2 GLY 1 2H GLY 1 -11.016 5.670 -10.508 3 H3 GLY 1 3H GLY 1 -12.237 5.995 -9.465 4 HA2 GLY 1 1HA GLY 1 -12.525 5.701 -12.384 5 HA3 GLY 1 2HA GLY 1 -12.985 4.479 -11.184 6 H SER 2 H SER 2 -14.457 6.343 -13.225 7 HA SER 2 HA SER 2 -16.183 8.070 -11.748 8 HB2 SER 2 1HB SER 2 -16.652 6.739 -14.442 9 HB3 SER 2 2HB SER 2 -17.513 8.152 -13.800 10 HG SER 2 HG SER 2 -15.797 8.746 -15.215 11 H SER 3 H SER 3 -18.404 7.915 -11.292 12 HA SER 3 HA SER 3 -20.231 7.013 -10.321 13 HB2 SER 3 1HB SER 3 -20.008 4.998 -12.571 14 HB3 SER 3 2HB SER 3 -21.472 5.416 -11.662 15 HG SER 3 HG SER 3 -21.330 6.562 -13.647 16 H GLY 4 H GLY 4 -17.906 6.138 -8.961 17 HA2 GLY 4 1HA GLY 4 -19.043 3.932 -7.419 18 HA3 GLY 4 2HA GLY 4 -17.562 3.506 -8.277 19 H SER 5 H SER 5 -17.582 3.261 -5.619 20 HA SER 5 HA SER 5 -16.767 5.579 -4.121 21 HB2 SER 5 1HB SER 5 -16.467 2.626 -3.457 22 HB3 SER 5 2HB SER 5 -16.336 3.980 -2.316 23 HG SER 5 HG SER 5 -18.430 3.022 -2.297 24 H SER 6 H SER 6 -14.754 5.881 -2.974 25 HA SER 6 HA SER 6 -12.403 5.611 -4.653 26 HB2 SER 6 1HB SER 6 -11.325 6.922 -2.839 27 HB3 SER 6 2HB SER 6 -12.810 7.657 -3.462 28 HG SER 6 HG SER 6 -12.741 7.671 -1.163 29 H GLY 7 H GLY 7 -13.714 3.481 -2.374 30 HA2 GLY 7 1HA GLY 7 -12.974 1.416 -1.646 31 HA3 GLY 7 2HA GLY 7 -11.515 1.646 -2.603 32 H LYS 8 H LYS 8 -10.288 0.662 -0.978 33 HA LYS 8 HA LYS 8 -9.926 1.559 1.728 34 HB2 LYS 8 1HB LYS 8 -8.160 0.098 -0.266 35 HB3 LYS 8 2HB LYS 8 -7.617 0.488 1.364 36 HG2 LYS 8 1HG LYS 8 -9.456 -0.765 2.361 37 HG3 LYS 8 2HG LYS 8 -10.145 -1.087 0.763 38 HD2 LYS 8 1HD LYS 8 -8.114 -2.393 0.143 39 HD3 LYS 8 2HD LYS 8 -7.407 -2.025 1.717 40 HE2 LYS 8 1HE LYS 8 -8.265 -4.243 1.850 41 HE3 LYS 8 2HE LYS 8 -9.298 -3.212 2.842 42 HZ1 LYS 8 3HZ LYS 8 -10.586 -4.743 1.449 43 HZ2 LYS 8 1HZ LYS 8 -9.944 -4.127 0.083 44 HZ3 LYS 8 2HZ LYS 8 -10.923 -3.208 1.020 45 HA PRO 9 HA PRO 9 -8.338 5.505 0.832 46 HB2 PRO 9 1HB PRO 9 -7.310 6.341 3.222 47 HB3 PRO 9 2HB PRO 9 -9.050 6.069 2.927 48 HG2 PRO 9 1HG PRO 9 -7.069 4.213 4.231 49 HG3 PRO 9 2HG PRO 9 -8.707 4.619 4.791 50 HD2 PRO 9 1HD PRO 9 -8.107 2.332 3.363 51 HD3 PRO 9 2HD PRO 9 -9.669 3.160 3.256 52 H TYR 10 H TYR 10 -5.854 3.414 2.415 53 HA TYR 10 HA TYR 10 -3.743 5.246 1.595 54 HB2 TYR 10 1HB TYR 10 -3.547 2.573 2.987 55 HB3 TYR 10 2HB TYR 10 -2.283 3.780 2.831 56 HD1 TYR 10 2HD TYR 10 -2.545 6.026 4.009 57 HD2 TYR 10 1HD TYR 10 -5.226 2.718 4.706 58 HE1 TYR 10 2HE TYR 10 -3.341 7.101 6.109 59 HE2 TYR 10 1HE TYR 10 -5.976 3.754 6.814 60 HH TYR 10 HH TYR 10 -4.727 6.934 7.934 61 H LYS 11 H LYS 11 -3.622 5.214 -0.616 62 HA LYS 11 HA LYS 11 -3.170 2.701 -2.127 63 HB2 LYS 11 1HB LYS 11 -3.821 5.543 -2.897 64 HB3 LYS 11 2HB LYS 11 -2.875 4.576 -4.010 65 HG2 LYS 11 1HG LYS 11 -5.050 4.302 -4.749 66 HG3 LYS 11 2HG LYS 11 -4.587 2.793 -3.988 67 HD2 LYS 11 1HD LYS 11 -6.848 3.234 -3.403 68 HD3 LYS 11 2HD LYS 11 -5.904 3.517 -1.932 69 HE2 LYS 11 1HE LYS 11 -6.058 5.903 -2.190 70 HE3 LYS 11 2HE LYS 11 -6.658 5.765 -3.850 71 HZ1 LYS 11 3HZ LYS 11 -8.157 4.711 -1.525 72 HZ2 LYS 11 1HZ LYS 11 -8.728 4.880 -3.030 73 HZ3 LYS 11 2HZ LYS 11 -8.415 6.219 -2.140 74 H CYS 12 H CYS 12 -1.387 2.156 -3.216 75 HA CYS 12 HA CYS 12 1.205 3.135 -2.414 76 HB2 CYS 12 1HB CYS 12 0.854 0.813 -2.968 77 HB3 CYS 12 2HB CYS 12 0.316 1.240 -4.597 78 HA PRO 13 HA PRO 13 1.427 6.385 -5.555 79 HB2 PRO 13 1HB PRO 13 4.049 7.103 -5.324 80 HB3 PRO 13 2HB PRO 13 2.831 7.465 -4.065 81 HG2 PRO 13 1HG PRO 13 4.789 5.146 -4.147 82 HG3 PRO 13 2HG PRO 13 4.457 6.267 -2.787 83 HD2 PRO 13 1HD PRO 13 3.278 3.812 -2.991 84 HD3 PRO 13 2HD PRO 13 2.396 5.203 -2.301 85 H GLN 14 H GLN 14 2.963 3.305 -5.764 86 HA GLN 14 HA GLN 14 3.754 3.810 -8.618 87 HB2 GLN 14 1HB GLN 14 5.013 1.894 -6.625 88 HB3 GLN 14 2HB GLN 14 5.418 2.030 -8.342 89 HG2 GLN 14 1HG GLN 14 6.038 4.450 -7.940 90 HG3 GLN 14 2HG GLN 14 5.788 4.181 -6.215 91 HE21 GLN 14 1HE2 GLN 14 8.135 4.961 -6.205 92 HE22 GLN 14 2HE2 GLN 14 9.365 3.726 -6.437 93 H CYS 15 H CYS 15 1.941 1.671 -6.481 94 HA CYS 15 HA CYS 15 1.261 -0.097 -8.809 95 HB2 CYS 15 1HB CYS 15 0.801 -0.749 -5.898 96 HB3 CYS 15 2HB CYS 15 0.833 -1.849 -7.274 97 H SER 16 H SER 16 -0.892 -1.178 -8.615 98 HA SER 16 HA SER 16 -3.130 0.638 -8.048 99 HB2 SER 16 1HB SER 16 -3.137 -2.298 -8.840 100 HB3 SER 16 2HB SER 16 -4.533 -1.204 -8.828 101 HG SER 16 HG SER 16 -3.606 -1.417 -10.924 102 H TYR 17 H TYR 17 -1.180 -1.000 -5.999 103 HA TYR 17 HA TYR 17 -2.861 -2.480 -4.244 104 HB2 TYR 17 1HB TYR 17 -0.436 -2.702 -4.274 105 HB3 TYR 17 2HB TYR 17 -0.235 -1.026 -3.804 106 HD1 TYR 17 2HD TYR 17 -1.115 -4.407 -2.639 107 HD2 TYR 17 1HD TYR 17 -0.611 -0.277 -1.462 108 HE1 TYR 17 2HE TYR 17 -1.033 -5.083 -0.239 109 HE2 TYR 17 1HE TYR 17 -0.586 -0.953 0.918 110 HH TYR 17 HH TYR 17 -0.465 -2.727 2.381 111 H ALA 18 H ALA 18 -4.087 -1.934 -2.530 112 HA ALA 18 HA ALA 18 -3.812 0.698 -1.281 113 HB1 ALA 18 1HB ALA 18 -5.621 0.990 -2.958 114 HB2 ALA 18 2HB ALA 18 -6.520 -0.345 -2.209 115 HB3 ALA 18 3HB ALA 18 -6.211 1.150 -1.291 116 H SER 19 H SER 19 -4.114 0.659 0.907 117 HA SER 19 HA SER 19 -5.094 -1.860 2.182 118 HB2 SER 19 1HB SER 19 -3.378 -1.686 3.839 119 HB3 SER 19 2HB SER 19 -2.639 -1.647 2.246 120 HG SER 19 HG SER 19 -2.495 0.191 4.218 121 H ALA 20 H ALA 20 -6.038 -1.662 4.274 122 HA ALA 20 HA ALA 20 -7.557 0.841 4.676 123 HB1 ALA 20 1HB ALA 20 -8.712 -1.334 4.629 124 HB2 ALA 20 2HB ALA 20 -7.749 -1.880 6.024 125 HB3 ALA 20 3HB ALA 20 -8.892 -0.531 6.198 126 H ILE 21 H ILE 21 -4.591 -0.201 5.678 127 HA ILE 21 HA ILE 21 -4.589 1.410 8.188 128 HB ILE 21 HB ILE 21 -3.359 -1.345 7.762 129 HG12 ILE 21 1HG1 ILE 21 -5.515 -0.471 9.735 130 HG13 ILE 21 2HG1 ILE 21 -5.797 -1.404 8.264 131 HG21 ILE 21 1HG2 ILE 21 -2.520 -1.150 10.093 132 HG22 ILE 21 2HG2 ILE 21 -1.828 0.072 9.065 133 HG23 ILE 21 3HG2 ILE 21 -3.146 0.509 10.179 134 HD11 ILE 21 3HD1 ILE 21 -5.799 -2.960 10.042 135 HD12 ILE 21 1HD1 ILE 21 -4.281 -3.203 9.152 136 HD13 ILE 21 2HD1 ILE 21 -4.284 -2.345 10.713 137 H LYS 22 H LYS 22 -2.977 2.893 8.163 138 HA LYS 22 HA LYS 22 -1.353 3.358 5.896 139 HB2 LYS 22 1HB LYS 22 -2.095 4.996 7.697 140 HB3 LYS 22 2HB LYS 22 -0.813 4.359 8.727 141 HG2 LYS 22 1HG LYS 22 0.883 5.042 7.043 142 HG3 LYS 22 2HG LYS 22 -0.409 5.606 5.965 143 HD2 LYS 22 1HD LYS 22 -1.096 7.279 7.669 144 HD3 LYS 22 2HD LYS 22 0.199 6.710 8.745 145 HE2 LYS 22 1HE LYS 22 1.888 7.310 7.018 146 HE3 LYS 22 2HE LYS 22 0.598 7.880 5.952 147 HZ1 LYS 22 3HZ LYS 22 0.047 9.565 7.632 148 HZ2 LYS 22 1HZ LYS 22 1.607 9.717 7.181 149 HZ3 LYS 22 2HZ LYS 22 1.240 9.036 8.617 150 H ALA 23 H ALA 23 -0.514 1.645 8.897 151 HA ALA 23 HA ALA 23 2.248 1.259 8.279 152 HB1 ALA 23 1HB ALA 23 0.407 -0.370 10.062 153 HB2 ALA 23 2HB ALA 23 2.186 -0.381 10.078 154 HB3 ALA 23 3HB ALA 23 1.315 1.094 10.531 155 H ASN 24 H ASN 24 -0.615 -0.493 7.104 156 HA ASN 24 HA ASN 24 0.955 -2.766 6.083 157 HB2 ASN 24 1HB ASN 24 -1.922 -1.863 5.874 158 HB3 ASN 24 2HB ASN 24 -1.276 -2.968 4.674 159 HD21 ASN 24 1HD2 ASN 24 -1.251 -2.648 8.291 160 HD22 ASN 24 2HD2 ASN 24 -1.503 -4.368 8.528 161 H LEU 25 H LEU 25 -0.128 0.410 4.804 162 HA LEU 25 HA LEU 25 1.067 -0.007 2.208 163 HB2 LEU 25 1HB LEU 25 -0.656 1.691 2.543 164 HB3 LEU 25 2HB LEU 25 0.349 2.539 3.720 165 HG LEU 25 HG LEU 25 2.015 3.043 1.960 166 HD11 LEU 25 1HD1 LEU 25 0.031 1.676 0.095 167 HD12 LEU 25 2HD1 LEU 25 1.677 1.115 0.462 168 HD13 LEU 25 3HD1 LEU 25 1.459 2.624 -0.405 169 HD21 LEU 25 3HD2 LEU 25 0.134 4.607 2.391 170 HD22 LEU 25 1HD2 LEU 25 -0.777 3.816 1.080 171 HD23 LEU 25 2HD2 LEU 25 0.734 4.670 0.725 172 H ASN 26 H ASN 26 2.277 1.369 5.303 173 HA ASN 26 HA ASN 26 4.851 2.143 4.459 174 HB2 ASN 26 1HB ASN 26 3.732 2.559 6.669 175 HB3 ASN 26 2HB ASN 26 4.093 0.894 7.124 176 HD21 ASN 26 1HD2 ASN 26 5.057 3.824 7.885 177 HD22 ASN 26 2HD2 ASN 26 6.774 3.526 8.104 178 H VAL 27 H VAL 27 3.862 -1.142 5.646 179 HA VAL 27 HA VAL 27 6.378 -2.405 5.107 180 HB VAL 27 HB VAL 27 3.561 -3.515 5.252 181 HG11 VAL 27 1HG1 VAL 27 6.192 -5.051 5.109 182 HG12 VAL 27 2HG1 VAL 27 4.627 -5.750 5.584 183 HG13 VAL 27 3HG1 VAL 27 4.848 -5.136 3.946 184 HG21 VAL 27 3HG2 VAL 27 5.922 -3.641 7.187 185 HG22 VAL 27 1HG2 VAL 27 4.528 -2.560 7.360 186 HG23 VAL 27 2HG2 VAL 27 4.296 -4.309 7.463 187 H HIS 28 H HIS 28 3.530 -1.919 2.963 188 HA HIS 28 HA HIS 28 4.606 -3.391 0.776 189 HB2 HIS 28 1HB HIS 28 2.245 -2.746 0.954 190 HB3 HIS 28 2HB HIS 28 2.667 -1.046 0.829 191 HD1 HIS 28 1HD HIS 28 2.398 -4.165 -1.387 192 HD2 HIS 28 2HD HIS 28 3.272 -0.059 -1.574 193 HE1 HIS 28 1HE HIS 28 2.520 -3.597 -3.860 194 H LEU 29 H LEU 29 4.985 0.061 1.664 195 HA LEU 29 HA LEU 29 6.574 0.818 -0.625 196 HB2 LEU 29 1HB LEU 29 6.343 1.968 2.159 197 HB3 LEU 29 2HB LEU 29 7.264 2.741 0.874 198 HG LEU 29 HG LEU 29 4.356 2.068 0.482 199 HD11 LEU 29 1HD1 LEU 29 3.977 4.454 1.289 200 HD12 LEU 29 2HD1 LEU 29 5.714 4.500 1.733 201 HD13 LEU 29 3HD1 LEU 29 4.622 3.373 2.550 202 HD21 LEU 29 3HD2 LEU 29 6.197 4.127 -0.798 203 HD22 LEU 29 1HD2 LEU 29 4.442 4.032 -1.044 204 HD23 LEU 29 2HD2 LEU 29 5.463 2.704 -1.580 205 H ARG 30 H ARG 30 7.483 -0.636 2.494 206 HA ARG 30 HA ARG 30 10.225 -0.022 2.353 207 HB2 ARG 30 1HB ARG 30 8.825 -2.487 3.483 208 HB3 ARG 30 2HB ARG 30 10.559 -2.237 3.668 209 HG2 ARG 30 1HG ARG 30 10.268 -0.245 4.971 210 HG3 ARG 30 2HG ARG 30 8.550 -0.179 4.613 211 HD2 ARG 30 1HD ARG 30 8.436 -2.547 5.736 212 HD3 ARG 30 2HD ARG 30 10.030 -2.129 6.390 213 HE ARG 30 HE ARG 30 8.021 -0.038 6.787 214 HH11 ARG 30 2HH1 ARG 30 9.117 -3.047 8.239 215 HH12 ARG 30 1HH1 ARG 30 8.422 -2.635 9.783 216 HH21 ARG 30 2HH2 ARG 30 7.215 0.411 8.693 217 HH22 ARG 30 1HH2 ARG 30 7.362 -0.689 10.051 218 H LYS 31 H LYS 31 8.430 -2.109 0.323 219 HA LYS 31 HA LYS 31 10.731 -3.537 -0.853 220 HB2 LYS 31 1HB LYS 31 7.802 -3.450 -1.685 221 HB3 LYS 31 2HB LYS 31 9.041 -4.517 -2.346 222 HG2 LYS 31 1HG LYS 31 9.347 -5.594 -0.153 223 HG3 LYS 31 2HG LYS 31 8.143 -4.518 0.578 224 HD2 LYS 31 1HD LYS 31 6.385 -5.414 -0.877 225 HD3 LYS 31 2HD LYS 31 7.570 -6.474 -1.682 226 HE2 LYS 31 1HE LYS 31 8.056 -7.555 0.518 227 HE3 LYS 31 2HE LYS 31 6.839 -6.526 1.284 228 HZ1 LYS 31 3HZ LYS 31 5.161 -7.563 -0.160 229 HZ2 LYS 31 1HZ LYS 31 5.929 -8.707 0.712 230 HZ3 LYS 31 2HZ LYS 31 6.291 -8.510 -0.864 231 H HIS 32 H HIS 32 8.934 -0.554 -1.468 232 HA HIS 32 HA HIS 32 10.184 -0.182 -4.126 233 HB2 HIS 32 1HB HIS 32 8.387 1.572 -2.410 234 HB3 HIS 32 2HB HIS 32 8.997 2.013 -4.005 235 HD1 HIS 32 1HD HIS 32 8.373 -0.215 -5.883 236 HD2 HIS 32 2HD HIS 32 5.907 0.800 -2.637 237 HE1 HIS 32 1HE HIS 32 6.100 -1.183 -6.422 238 H THR 33 H THR 33 10.641 0.975 -0.780 239 HA THR 33 HA THR 33 12.805 2.826 -1.582 240 HB THR 33 HB THR 33 12.779 3.551 0.732 241 HG1 THR 33 1HG THR 33 11.301 2.675 2.173 242 HG21 THR 33 3HG2 THR 33 9.913 3.320 -0.275 243 HG22 THR 33 1HG2 THR 33 11.098 4.521 -0.834 244 HG23 THR 33 2HG2 THR 33 10.565 4.523 0.855 245 H GLY 34 H GLY 34 14.764 2.887 -0.038 246 HA2 GLY 34 1HA GLY 34 16.583 1.910 1.004 247 HA3 GLY 34 2HA GLY 34 15.639 0.441 1.210 248 H GLU 35 H GLU 35 17.180 -1.026 0.647 249 HA GLU 35 HA GLU 35 19.014 -0.723 -1.541 250 HB2 GLU 35 1HB GLU 35 19.783 -2.940 -0.975 251 HB3 GLU 35 2HB GLU 35 19.573 -1.961 0.474 252 HG2 GLU 35 1HG GLU 35 17.385 -3.108 0.909 253 HG3 GLU 35 2HG GLU 35 17.646 -4.112 -0.520 254 H LYS 36 H LYS 36 19.337 -2.133 -3.337 255 HA LYS 36 HA LYS 36 16.953 -3.394 -4.579 256 HB2 LYS 36 1HB LYS 36 17.006 -0.994 -5.252 257 HB3 LYS 36 2HB LYS 36 18.638 -1.225 -5.894 258 HG2 LYS 36 1HG LYS 36 17.760 -2.865 -7.544 259 HG3 LYS 36 2HG LYS 36 16.147 -2.725 -6.832 260 HD2 LYS 36 1HD LYS 36 16.235 -1.424 -8.864 261 HD3 LYS 36 2HD LYS 36 16.067 -0.327 -7.486 262 HE2 LYS 36 1HE LYS 36 18.507 0.149 -7.566 263 HE3 LYS 36 2HE LYS 36 18.690 -0.987 -8.909 264 HZ1 LYS 36 3HZ LYS 36 17.062 1.500 -8.991 265 HZ2 LYS 36 1HZ LYS 36 17.235 0.453 -10.234 266 HZ3 LYS 36 2HZ LYS 36 18.520 1.302 -9.697 Start of MODEL 17 1 H1 GLY 1 1H GLY 1 -16.654 -6.044 -12.816 2 H2 GLY 1 2H GLY 1 -16.833 -7.672 -12.893 3 H3 GLY 1 3H GLY 1 -15.337 -7.016 -12.755 4 HA2 GLY 1 1HA GLY 1 -17.456 -6.879 -10.711 5 HA3 GLY 1 2HA GLY 1 -16.042 -7.947 -10.646 6 H SER 2 H SER 2 -16.699 -6.064 -8.635 7 HA SER 2 HA SER 2 -15.273 -3.599 -8.844 8 HB2 SER 2 1HB SER 2 -16.032 -5.170 -6.354 9 HB3 SER 2 2HB SER 2 -15.577 -3.456 -6.419 10 HG SER 2 HG SER 2 -17.862 -3.757 -6.419 11 H SER 3 H SER 3 -13.319 -2.900 -7.963 12 HA SER 3 HA SER 3 -11.108 -4.768 -8.057 13 HB2 SER 3 1HB SER 3 -10.864 -2.485 -8.849 14 HB3 SER 3 2HB SER 3 -11.231 -1.846 -7.233 15 HG SER 3 HG SER 3 -8.927 -2.070 -7.848 16 H GLY 4 H GLY 4 -9.818 -5.576 -6.455 17 HA2 GLY 4 1HA GLY 4 -10.738 -5.851 -3.731 18 HA3 GLY 4 2HA GLY 4 -9.145 -6.284 -4.366 19 H SER 5 H SER 5 -8.970 -3.312 -5.323 20 HA SER 5 HA SER 5 -7.919 -2.145 -2.817 21 HB2 SER 5 1HB SER 5 -7.758 -1.256 -5.714 22 HB3 SER 5 2HB SER 5 -7.026 -0.394 -4.355 23 HG SER 5 HG SER 5 -5.545 -1.790 -5.339 24 H SER 6 H SER 6 -10.975 -2.193 -4.119 25 HA SER 6 HA SER 6 -11.710 0.601 -3.925 26 HB2 SER 6 1HB SER 6 -12.934 -1.122 -5.264 27 HB3 SER 6 2HB SER 6 -13.520 -1.830 -3.743 28 HG SER 6 HG SER 6 -14.991 -0.289 -4.661 29 H GLY 7 H GLY 7 -12.924 1.647 -2.319 30 HA2 GLY 7 1HA GLY 7 -13.606 2.240 -0.210 31 HA3 GLY 7 2HA GLY 7 -13.681 0.524 0.194 32 H LYS 8 H LYS 8 -10.552 1.503 -0.789 33 HA LYS 8 HA LYS 8 -9.554 1.547 2.040 34 HB2 LYS 8 1HB LYS 8 -8.489 0.272 -0.493 35 HB3 LYS 8 2HB LYS 8 -7.493 0.493 0.934 36 HG2 LYS 8 1HG LYS 8 -8.826 -0.947 2.275 37 HG3 LYS 8 2HG LYS 8 -10.174 -0.913 1.137 38 HD2 LYS 8 1HD LYS 8 -8.808 -2.119 -0.545 39 HD3 LYS 8 2HD LYS 8 -7.464 -2.203 0.613 40 HE2 LYS 8 1HE LYS 8 -8.914 -3.478 2.186 41 HE3 LYS 8 2HE LYS 8 -10.254 -3.361 1.035 42 HZ1 LYS 8 3HZ LYS 8 -9.123 -5.483 0.798 43 HZ2 LYS 8 1HZ LYS 8 -7.683 -4.760 0.516 44 HZ3 LYS 8 2HZ LYS 8 -8.902 -4.607 -0.568 45 HA PRO 9 HA PRO 9 -8.112 5.516 0.551 46 HB2 PRO 9 1HB PRO 9 -7.217 6.635 2.877 47 HB3 PRO 9 2HB PRO 9 -8.951 6.319 2.571 48 HG2 PRO 9 1HG PRO 9 -6.978 4.626 4.111 49 HG3 PRO 9 2HG PRO 9 -8.610 5.113 4.623 50 HD2 PRO 9 1HD PRO 9 -8.090 2.669 3.479 51 HD3 PRO 9 2HD PRO 9 -9.620 3.536 3.215 52 H TYR 10 H TYR 10 -5.829 3.461 2.419 53 HA TYR 10 HA TYR 10 -3.594 5.171 1.706 54 HB2 TYR 10 1HB TYR 10 -3.633 2.468 3.062 55 HB3 TYR 10 2HB TYR 10 -2.257 3.557 2.929 56 HD1 TYR 10 2HD TYR 10 -2.324 5.820 4.086 57 HD2 TYR 10 1HD TYR 10 -5.300 2.772 4.759 58 HE1 TYR 10 2HE TYR 10 -3.075 6.993 6.154 59 HE2 TYR 10 1HE TYR 10 -6.032 3.921 6.814 60 HH TYR 10 HH TYR 10 -5.720 5.725 8.215 61 H LYS 11 H LYS 11 -3.451 5.183 -0.496 62 HA LYS 11 HA LYS 11 -3.099 2.724 -2.105 63 HB2 LYS 11 1HB LYS 11 -3.342 5.673 -2.812 64 HB3 LYS 11 2HB LYS 11 -2.771 4.487 -3.968 65 HG2 LYS 11 1HG LYS 11 -4.987 4.753 -4.487 66 HG3 LYS 11 2HG LYS 11 -4.900 3.189 -3.682 67 HD2 LYS 11 1HD LYS 11 -5.906 4.116 -1.661 68 HD3 LYS 11 2HD LYS 11 -5.744 5.775 -2.300 69 HE2 LYS 11 1HE LYS 11 -7.228 5.115 -4.223 70 HE3 LYS 11 2HE LYS 11 -7.489 3.548 -3.431 71 HZ1 LYS 11 3HZ LYS 11 -8.181 6.152 -2.193 72 HZ2 LYS 11 1HZ LYS 11 -8.514 4.639 -1.612 73 HZ3 LYS 11 2HZ LYS 11 -9.251 5.183 -2.964 74 H CYS 12 H CYS 12 -1.335 2.148 -3.228 75 HA CYS 12 HA CYS 12 1.301 3.062 -2.431 76 HB2 CYS 12 1HB CYS 12 0.877 0.751 -2.973 77 HB3 CYS 12 2HB CYS 12 0.398 1.206 -4.616 78 HA PRO 13 HA PRO 13 1.655 6.344 -5.581 79 HB2 PRO 13 1HB PRO 13 4.599 5.898 -5.199 80 HB3 PRO 13 2HB PRO 13 3.666 7.418 -5.090 81 HG2 PRO 13 1HG PRO 13 4.602 6.152 -2.860 82 HG3 PRO 13 2HG PRO 13 2.987 6.935 -2.873 83 HD2 PRO 13 1HD PRO 13 3.625 3.982 -3.250 84 HD3 PRO 13 2HD PRO 13 2.382 4.781 -2.235 85 H GLN 14 H GLN 14 3.181 3.174 -5.695 86 HA GLN 14 HA GLN 14 4.075 3.550 -8.521 87 HB2 GLN 14 1HB GLN 14 4.870 1.327 -6.635 88 HB3 GLN 14 2HB GLN 14 5.647 1.799 -8.134 89 HG2 GLN 14 1HG GLN 14 5.638 3.359 -5.510 90 HG3 GLN 14 2HG GLN 14 6.970 2.434 -6.172 91 HE21 GLN 14 1HE2 GLN 14 7.392 5.068 -5.453 92 HE22 GLN 14 2HE2 GLN 14 7.601 6.030 -6.912 93 H CYS 15 H CYS 15 2.001 1.549 -6.501 94 HA CYS 15 HA CYS 15 1.325 -0.226 -8.818 95 HB2 CYS 15 1HB CYS 15 0.800 -0.800 -5.897 96 HB3 CYS 15 2HB CYS 15 0.829 -1.935 -7.244 97 H SER 16 H SER 16 -0.878 -1.292 -8.538 98 HA SER 16 HA SER 16 -3.071 0.630 -8.149 99 HB2 SER 16 1HB SER 16 -4.477 -1.314 -8.822 100 HB3 SER 16 2HB SER 16 -3.219 -0.909 -10.001 101 HG SER 16 HG SER 16 -3.330 -3.174 -9.586 102 H TYR 17 H TYR 17 -1.200 -1.015 -6.008 103 HA TYR 17 HA TYR 17 -2.946 -2.398 -4.267 104 HB2 TYR 17 1HB TYR 17 -0.531 -2.702 -4.264 105 HB3 TYR 17 2HB TYR 17 -0.281 -1.030 -3.803 106 HD1 TYR 17 2HD TYR 17 -1.287 -4.372 -2.618 107 HD2 TYR 17 1HD TYR 17 -0.643 -0.254 -1.479 108 HE1 TYR 17 2HE TYR 17 -1.288 -5.027 -0.217 109 HE2 TYR 17 1HE TYR 17 -0.670 -0.914 0.913 110 HH TYR 17 HH TYR 17 -1.090 -4.320 1.944 111 H ALA 18 H ALA 18 -4.165 -1.848 -2.560 112 HA ALA 18 HA ALA 18 -3.782 0.717 -1.228 113 HB1 ALA 18 1HB ALA 18 -6.125 1.329 -1.211 114 HB2 ALA 18 2HB ALA 18 -5.621 1.111 -2.897 115 HB3 ALA 18 3HB ALA 18 -6.563 -0.155 -2.081 116 H SER 19 H SER 19 -4.507 0.731 0.962 117 HA SER 19 HA SER 19 -5.687 -1.761 2.064 118 HB2 SER 19 1HB SER 19 -3.133 -1.809 2.281 119 HB3 SER 19 2HB SER 19 -3.314 -0.484 3.446 120 HG SER 19 HG SER 19 -4.386 -3.128 3.537 121 H ALA 20 H ALA 20 -6.415 -1.520 4.298 122 HA ALA 20 HA ALA 20 -7.780 1.063 4.758 123 HB1 ALA 20 1HB ALA 20 -9.079 -0.230 6.387 124 HB2 ALA 20 2HB ALA 20 -9.056 -1.048 4.815 125 HB3 ALA 20 3HB ALA 20 -8.025 -1.638 6.141 126 H ILE 21 H ILE 21 -4.814 -0.218 5.634 127 HA ILE 21 HA ILE 21 -4.646 1.370 8.166 128 HB ILE 21 HB ILE 21 -3.557 -1.411 7.608 129 HG12 ILE 21 1HG1 ILE 21 -5.649 -0.469 9.623 130 HG13 ILE 21 2HG1 ILE 21 -5.972 -1.397 8.157 131 HG21 ILE 21 1HG2 ILE 21 -3.190 0.321 10.092 132 HG22 ILE 21 2HG2 ILE 21 -2.650 -1.365 9.906 133 HG23 ILE 21 3HG2 ILE 21 -1.930 -0.130 8.915 134 HD11 ILE 21 3HD1 ILE 21 -4.549 -3.262 9.067 135 HD12 ILE 21 1HD1 ILE 21 -4.508 -2.385 10.617 136 HD13 ILE 21 2HD1 ILE 21 -6.052 -2.932 9.953 137 H LYS 22 H LYS 22 -2.955 2.738 8.259 138 HA LYS 22 HA LYS 22 -1.318 3.270 5.989 139 HB2 LYS 22 1HB LYS 22 -2.040 4.863 7.826 140 HB3 LYS 22 2HB LYS 22 -0.810 4.146 8.865 141 HG2 LYS 22 1HG LYS 22 0.955 4.833 7.258 142 HG3 LYS 22 2HG LYS 22 -0.284 5.478 6.163 143 HD2 LYS 22 1HD LYS 22 -0.971 7.109 7.908 144 HD3 LYS 22 2HD LYS 22 0.269 6.459 9.002 145 HE2 LYS 22 1HE LYS 22 2.031 7.067 7.354 146 HE3 LYS 22 2HE LYS 22 0.796 7.719 6.270 147 HZ1 LYS 22 3HZ LYS 22 1.386 8.752 8.996 148 HZ2 LYS 22 1HZ LYS 22 0.243 9.355 7.994 149 HZ3 LYS 22 2HZ LYS 22 1.821 9.475 7.600 150 H ALA 23 H ALA 23 -0.571 1.429 8.936 151 HA ALA 23 HA ALA 23 2.192 0.993 8.467 152 HB1 ALA 23 1HB ALA 23 1.932 -0.837 10.073 153 HB2 ALA 23 2HB ALA 23 1.016 0.586 10.608 154 HB3 ALA 23 3HB ALA 23 0.171 -0.800 9.871 155 H ASN 24 H ASN 24 -0.642 -0.784 7.168 156 HA ASN 24 HA ASN 24 0.851 -2.954 5.985 157 HB2 ASN 24 1HB ASN 24 -1.851 -1.701 5.315 158 HB3 ASN 24 2HB ASN 24 -1.217 -3.127 4.526 159 HD21 ASN 24 1HD2 ASN 24 -3.594 -3.357 5.619 160 HD22 ASN 24 2HD2 ASN 24 -3.503 -4.373 7.063 161 H LEU 25 H LEU 25 -0.206 0.248 4.711 162 HA LEU 25 HA LEU 25 1.078 -0.060 2.167 163 HB2 LEU 25 1HB LEU 25 -0.682 1.595 2.524 164 HB3 LEU 25 2HB LEU 25 0.299 2.430 3.736 165 HG LEU 25 HG LEU 25 1.991 2.985 2.003 166 HD11 LEU 25 1HD1 LEU 25 0.008 1.714 0.064 167 HD12 LEU 25 2HD1 LEU 25 1.643 1.116 0.426 168 HD13 LEU 25 3HD1 LEU 25 1.451 2.664 -0.376 169 HD21 LEU 25 3HD2 LEU 25 0.745 4.673 0.842 170 HD22 LEU 25 1HD2 LEU 25 0.130 4.544 2.499 171 HD23 LEU 25 2HD2 LEU 25 -0.781 3.828 1.146 172 H ASN 26 H ASN 26 2.272 1.261 5.310 173 HA ASN 26 HA ASN 26 4.797 2.120 4.362 174 HB2 ASN 26 1HB ASN 26 3.868 2.670 6.583 175 HB3 ASN 26 2HB ASN 26 4.083 0.996 7.096 176 HD21 ASN 26 1HD2 ASN 26 6.054 0.458 8.030 177 HD22 ASN 26 2HD2 ASN 26 7.463 1.504 7.950 178 H VAL 27 H VAL 27 3.922 -1.176 5.597 179 HA VAL 27 HA VAL 27 6.514 -2.327 5.054 180 HB VAL 27 HB VAL 27 3.739 -3.577 5.249 181 HG11 VAL 27 1HG1 VAL 27 5.129 -5.154 3.990 182 HG12 VAL 27 2HG1 VAL 27 6.454 -4.965 5.162 183 HG13 VAL 27 3HG1 VAL 27 4.925 -5.739 5.640 184 HG21 VAL 27 3HG2 VAL 27 4.603 -2.527 7.335 185 HG22 VAL 27 1HG2 VAL 27 4.506 -4.283 7.475 186 HG23 VAL 27 2HG2 VAL 27 6.082 -3.502 7.200 187 H HIS 28 H HIS 28 3.606 -1.948 2.976 188 HA HIS 28 HA HIS 28 4.686 -3.398 0.769 189 HB2 HIS 28 1HB HIS 28 2.309 -2.854 1.016 190 HB3 HIS 28 2HB HIS 28 2.652 -1.135 0.866 191 HD1 HIS 28 1HD HIS 28 2.343 -4.263 -1.306 192 HD2 HIS 28 2HD HIS 28 3.237 -0.166 -1.550 193 HE1 HIS 28 1HE HIS 28 2.384 -3.714 -3.785 194 H LEU 29 H LEU 29 4.956 0.066 1.646 195 HA LEU 29 HA LEU 29 6.555 0.855 -0.637 196 HB2 LEU 29 1HB LEU 29 6.252 2.014 2.139 197 HB3 LEU 29 2HB LEU 29 7.183 2.790 0.859 198 HG LEU 29 HG LEU 29 4.289 2.097 0.434 199 HD11 LEU 29 1HD1 LEU 29 5.610 4.556 1.682 200 HD12 LEU 29 2HD1 LEU 29 4.518 3.431 2.499 201 HD13 LEU 29 3HD1 LEU 29 3.881 4.487 1.214 202 HD21 LEU 29 3HD2 LEU 29 6.165 4.149 -0.813 203 HD22 LEU 29 1HD2 LEU 29 4.416 4.061 -1.095 204 HD23 LEU 29 2HD2 LEU 29 5.446 2.726 -1.607 205 H ARG 30 H ARG 30 7.425 -0.541 2.522 206 HA ARG 30 HA ARG 30 10.158 0.104 2.415 207 HB2 ARG 30 1HB ARG 30 8.687 -2.237 3.682 208 HB3 ARG 30 2HB ARG 30 10.442 -2.140 3.757 209 HG2 ARG 30 1HG ARG 30 10.364 0.003 4.899 210 HG3 ARG 30 2HG ARG 30 8.625 0.090 4.743 211 HD2 ARG 30 1HD ARG 30 9.136 -0.592 6.980 212 HD3 ARG 30 2HD ARG 30 8.415 -1.974 6.141 213 HE ARG 30 HE ARG 30 11.283 -2.068 5.922 214 HH11 ARG 30 2HH1 ARG 30 8.821 -2.609 8.359 215 HH12 ARG 30 1HH1 ARG 30 9.814 -3.743 9.235 216 HH21 ARG 30 2HH2 ARG 30 12.489 -3.522 7.088 217 HH22 ARG 30 1HH2 ARG 30 11.835 -4.234 8.533 218 H LYS 31 H LYS 31 8.435 -1.995 0.367 219 HA LYS 31 HA LYS 31 10.774 -3.408 -0.757 220 HB2 LYS 31 1HB LYS 31 7.868 -3.345 -1.672 221 HB3 LYS 31 2HB LYS 31 9.130 -4.416 -2.272 222 HG2 LYS 31 1HG LYS 31 9.351 -5.475 -0.062 223 HG3 LYS 31 2HG LYS 31 8.125 -4.388 0.615 224 HD2 LYS 31 1HD LYS 31 6.421 -5.289 -0.910 225 HD3 LYS 31 2HD LYS 31 7.632 -6.373 -1.640 226 HE2 LYS 31 1HE LYS 31 8.012 -7.410 0.603 227 HE3 LYS 31 2HE LYS 31 6.767 -6.360 1.291 228 HZ1 LYS 31 3HZ LYS 31 5.872 -8.548 0.724 229 HZ2 LYS 31 1HZ LYS 31 6.309 -8.387 -0.839 230 HZ3 LYS 31 2HZ LYS 31 5.150 -7.420 -0.207 231 H HIS 32 H HIS 32 8.952 -0.450 -1.399 232 HA HIS 32 HA HIS 32 10.202 -0.091 -4.063 233 HB2 HIS 32 1HB HIS 32 8.265 1.618 -2.459 234 HB3 HIS 32 2HB HIS 32 8.820 1.966 -4.095 235 HD1 HIS 32 1HD HIS 32 8.393 -0.668 -5.626 236 HD2 HIS 32 2HD HIS 32 5.810 0.827 -2.664 237 HE1 HIS 32 1HE HIS 32 6.140 -1.729 -6.084 238 H THR 33 H THR 33 10.784 0.953 -0.740 239 HA THR 33 HA THR 33 12.432 3.230 -1.447 240 HB THR 33 HB THR 33 13.227 3.061 0.937 241 HG1 THR 33 1HG THR 33 12.851 0.824 1.223 242 HG21 THR 33 3HG2 THR 33 11.313 4.477 0.329 243 HG22 THR 33 1HG2 THR 33 11.082 3.735 1.922 244 HG23 THR 33 2HG2 THR 33 10.209 3.097 0.513 245 H GLY 34 H GLY 34 14.628 3.480 -1.502 246 HA2 GLY 34 1HA GLY 34 16.870 3.018 -1.448 247 HA3 GLY 34 2HA GLY 34 16.513 1.443 -0.753 248 H GLU 35 H GLU 35 14.838 0.711 -3.214 249 HA GLU 35 HA GLU 35 16.808 0.656 -5.410 250 HB2 GLU 35 1HB GLU 35 16.789 -1.760 -5.627 251 HB3 GLU 35 2HB GLU 35 17.457 -1.277 -4.073 252 HG2 GLU 35 1HG GLU 35 15.273 -1.828 -2.977 253 HG3 GLU 35 2HG GLU 35 14.640 -2.353 -4.539 254 H LYS 36 H LYS 36 15.984 -0.010 -7.427 255 HA LYS 36 HA LYS 36 13.037 -0.188 -7.788 256 HB2 LYS 36 1HB LYS 36 14.884 1.789 -9.195 257 HB3 LYS 36 2HB LYS 36 13.219 1.472 -9.657 258 HG2 LYS 36 1HG LYS 36 14.078 2.652 -6.978 259 HG3 LYS 36 2HG LYS 36 13.524 3.566 -8.377 260 HD2 LYS 36 1HD LYS 36 11.307 2.469 -8.270 261 HD3 LYS 36 2HD LYS 36 11.850 1.478 -6.912 262 HE2 LYS 36 1HE LYS 36 10.549 3.254 -6.006 263 HE3 LYS 36 2HE LYS 36 12.232 3.511 -5.550 264 HZ1 LYS 36 3HZ LYS 36 12.389 5.182 -7.321 265 HZ2 LYS 36 1HZ LYS 36 11.166 5.566 -6.318 266 HZ3 LYS 36 2HZ LYS 36 10.843 4.914 -7.779 Start of MODEL 18 1 H1 GLY 1 1H GLY 1 -18.497 3.782 -11.965 2 H2 GLY 1 2H GLY 1 -17.651 4.732 -10.932 3 H3 GLY 1 3H GLY 1 -19.177 5.145 -11.360 4 HA2 GLY 1 1HA GLY 1 -20.086 3.218 -10.248 5 HA3 GLY 1 2HA GLY 1 -18.435 2.753 -9.800 6 H SER 2 H SER 2 -20.793 3.407 -8.104 7 HA SER 2 HA SER 2 -20.150 5.954 -6.766 8 HB2 SER 2 1HB SER 2 -22.174 3.785 -6.100 9 HB3 SER 2 2HB SER 2 -21.990 5.319 -5.234 10 HG SER 2 HG SER 2 -22.664 4.989 -7.991 11 H SER 3 H SER 3 -19.505 6.195 -4.608 12 HA SER 3 HA SER 3 -17.494 4.400 -3.622 13 HB2 SER 3 1HB SER 3 -18.907 6.692 -2.207 14 HB3 SER 3 2HB SER 3 -17.385 5.928 -1.709 15 HG SER 3 HG SER 3 -17.044 7.860 -2.916 16 H GLY 4 H GLY 4 -17.410 3.304 -1.570 17 HA2 GLY 4 1HA GLY 4 -19.721 2.832 0.081 18 HA3 GLY 4 2HA GLY 4 -19.452 1.474 -1.012 19 H SER 5 H SER 5 -19.368 0.893 1.555 20 HA SER 5 HA SER 5 -17.085 1.391 3.077 21 HB2 SER 5 1HB SER 5 -18.881 -1.058 3.216 22 HB3 SER 5 2HB SER 5 -17.868 -0.409 4.521 23 HG SER 5 HG SER 5 -20.056 0.273 4.704 24 H SER 6 H SER 6 -17.286 -0.880 0.453 25 HA SER 6 HA SER 6 -15.107 -2.613 1.253 26 HB2 SER 6 1HB SER 6 -16.232 -2.064 -1.517 27 HB3 SER 6 2HB SER 6 -15.218 -3.438 -1.038 28 HG SER 6 HG SER 6 -17.453 -3.978 -1.060 29 H GLY 7 H GLY 7 -15.085 0.635 0.110 30 HA2 GLY 7 1HA GLY 7 -12.657 0.632 -1.441 31 HA3 GLY 7 2HA GLY 7 -13.433 2.030 -0.703 32 H LYS 8 H LYS 8 -10.645 1.593 -0.902 33 HA LYS 8 HA LYS 8 -9.782 1.416 1.959 34 HB2 LYS 8 1HB LYS 8 -8.489 0.276 -0.527 35 HB3 LYS 8 2HB LYS 8 -7.565 0.588 0.943 36 HG2 LYS 8 1HG LYS 8 -8.953 -0.914 2.248 37 HG3 LYS 8 2HG LYS 8 -10.075 -1.134 0.897 38 HD2 LYS 8 1HD LYS 8 -8.258 -2.171 -0.448 39 HD3 LYS 8 2HD LYS 8 -7.151 -1.981 0.927 40 HE2 LYS 8 1HE LYS 8 -8.604 -3.422 2.316 41 HE3 LYS 8 2HE LYS 8 -9.745 -3.584 0.974 42 HZ1 LYS 8 3HZ LYS 8 -8.004 -4.693 -0.306 43 HZ2 LYS 8 1HZ LYS 8 -8.225 -5.485 1.101 44 HZ3 LYS 8 2HZ LYS 8 -6.921 -4.522 0.905 45 HA PRO 9 HA PRO 9 -8.553 5.542 0.888 46 HB2 PRO 9 1HB PRO 9 -7.605 6.438 3.282 47 HB3 PRO 9 2HB PRO 9 -9.320 6.059 2.993 48 HG2 PRO 9 1HG PRO 9 -7.223 4.341 4.312 49 HG3 PRO 9 2HG PRO 9 -8.885 4.641 4.872 50 HD2 PRO 9 1HD PRO 9 -8.143 2.389 3.446 51 HD3 PRO 9 2HD PRO 9 -9.764 3.113 3.363 52 H TYR 10 H TYR 10 -6.070 3.502 2.511 53 HA TYR 10 HA TYR 10 -3.944 5.322 1.688 54 HB2 TYR 10 1HB TYR 10 -3.743 2.604 3.017 55 HB3 TYR 10 2HB TYR 10 -2.469 3.805 2.907 56 HD1 TYR 10 2HD TYR 10 -2.789 6.049 4.139 57 HD2 TYR 10 1HD TYR 10 -5.341 2.630 4.766 58 HE1 TYR 10 2HE TYR 10 -3.583 7.024 6.295 59 HE2 TYR 10 1HE TYR 10 -6.101 3.575 6.923 60 HH TYR 10 HH TYR 10 -5.946 5.337 8.398 61 H LYS 11 H LYS 11 -2.826 5.130 -0.248 62 HA LYS 11 HA LYS 11 -2.927 2.549 -1.752 63 HB2 LYS 11 1HB LYS 11 -3.541 5.297 -2.898 64 HB3 LYS 11 2HB LYS 11 -3.410 3.779 -3.797 65 HG2 LYS 11 1HG LYS 11 -5.269 2.859 -2.309 66 HG3 LYS 11 2HG LYS 11 -5.499 4.502 -1.700 67 HD2 LYS 11 1HD LYS 11 -5.946 5.281 -4.006 68 HD3 LYS 11 2HD LYS 11 -5.763 3.616 -4.603 69 HE2 LYS 11 1HE LYS 11 -7.621 2.886 -3.119 70 HE3 LYS 11 2HE LYS 11 -7.797 4.535 -2.515 71 HZ1 LYS 11 3HZ LYS 11 -8.378 5.234 -4.780 72 HZ2 LYS 11 1HZ LYS 11 -9.402 4.070 -4.274 73 HZ3 LYS 11 2HZ LYS 11 -8.221 3.707 -5.341 74 H CYS 12 H CYS 12 -1.290 2.085 -3.149 75 HA CYS 12 HA CYS 12 1.294 3.128 -2.472 76 HB2 CYS 12 1HB CYS 12 0.930 0.810 -3.032 77 HB3 CYS 12 2HB CYS 12 0.386 1.263 -4.656 78 HA PRO 13 HA PRO 13 1.364 6.393 -5.628 79 HB2 PRO 13 1HB PRO 13 3.961 7.197 -5.423 80 HB3 PRO 13 2HB PRO 13 2.746 7.522 -4.151 81 HG2 PRO 13 1HG PRO 13 4.778 5.270 -4.248 82 HG3 PRO 13 2HG PRO 13 4.426 6.383 -2.889 83 HD2 PRO 13 1HD PRO 13 3.324 3.887 -3.081 84 HD3 PRO 13 2HD PRO 13 2.415 5.251 -2.371 85 H GLN 14 H GLN 14 3.012 3.363 -5.812 86 HA GLN 14 HA GLN 14 3.810 3.871 -8.663 87 HB2 GLN 14 1HB GLN 14 5.049 1.963 -6.649 88 HB3 GLN 14 2HB GLN 14 5.478 2.097 -8.360 89 HG2 GLN 14 1HG GLN 14 6.087 4.515 -7.962 90 HG3 GLN 14 2HG GLN 14 5.800 4.262 -6.240 91 HE21 GLN 14 1HE2 GLN 14 8.146 5.051 -6.196 92 HE22 GLN 14 2HE2 GLN 14 9.382 3.814 -6.383 93 H CYS 15 H CYS 15 1.970 1.731 -6.554 94 HA CYS 15 HA CYS 15 1.328 -0.047 -8.886 95 HB2 CYS 15 1HB CYS 15 0.867 -0.685 -5.971 96 HB3 CYS 15 2HB CYS 15 0.887 -1.793 -7.339 97 H SER 16 H SER 16 -0.836 -1.171 -8.617 98 HA SER 16 HA SER 16 -3.079 0.674 -8.138 99 HB2 SER 16 1HB SER 16 -4.439 -1.274 -8.876 100 HB3 SER 16 2HB SER 16 -3.198 -0.802 -10.048 101 HG SER 16 HG SER 16 -3.259 -3.082 -9.707 102 H TYR 17 H TYR 17 -1.130 -0.953 -6.083 103 HA TYR 17 HA TYR 17 -2.749 -2.478 -4.344 104 HB2 TYR 17 1HB TYR 17 -0.316 -2.582 -4.400 105 HB3 TYR 17 2HB TYR 17 -0.194 -0.911 -3.892 106 HD1 TYR 17 1HD TYR 17 -0.707 -0.228 -1.518 107 HD2 TYR 17 2HD TYR 17 -0.749 -4.355 -2.815 108 HE1 TYR 17 1HE TYR 17 -0.623 -0.959 0.841 109 HE2 TYR 17 2HE TYR 17 -0.555 -5.082 -0.437 110 HH TYR 17 HH TYR 17 -0.292 -2.768 2.255 111 H ALA 18 H ALA 18 -3.948 -2.042 -2.590 112 HA ALA 18 HA ALA 18 -3.878 0.598 -1.323 113 HB1 ALA 18 1HB ALA 18 -6.295 0.866 -1.352 114 HB2 ALA 18 2HB ALA 18 -5.709 0.716 -3.018 115 HB3 ALA 18 3HB ALA 18 -6.496 -0.671 -2.232 116 H SER 19 H SER 19 -4.472 0.605 0.843 117 HA SER 19 HA SER 19 -5.079 -1.982 2.181 118 HB2 SER 19 1HB SER 19 -3.379 -1.535 3.848 119 HB3 SER 19 2HB SER 19 -2.638 -1.675 2.281 120 HG SER 19 HG SER 19 -2.485 0.351 3.998 121 H ALA 20 H ALA 20 -5.996 -1.789 4.286 122 HA ALA 20 HA ALA 20 -7.591 0.667 4.723 123 HB1 ALA 20 1HB ALA 20 -7.648 -2.054 6.092 124 HB2 ALA 20 2HB ALA 20 -8.833 -0.745 6.292 125 HB3 ALA 20 3HB ALA 20 -8.675 -1.558 4.725 126 H ILE 21 H ILE 21 -4.539 -0.197 5.590 127 HA ILE 21 HA ILE 21 -4.551 1.390 8.106 128 HB ILE 21 HB ILE 21 -3.034 -1.220 7.736 129 HG12 ILE 21 1HG1 ILE 21 -5.506 -0.765 9.461 130 HG13 ILE 21 2HG1 ILE 21 -5.455 -1.711 7.971 131 HG21 ILE 21 1HG2 ILE 21 -2.445 -0.960 10.113 132 HG22 ILE 21 2HG2 ILE 21 -1.943 0.457 9.227 133 HG23 ILE 21 3HG2 ILE 21 -3.417 0.524 10.213 134 HD11 ILE 21 3HD1 ILE 21 -5.403 -3.262 9.756 135 HD12 ILE 21 1HD1 ILE 21 -3.787 -3.255 9.022 136 HD13 ILE 21 2HD1 ILE 21 -4.080 -2.424 10.573 137 H LYS 22 H LYS 22 -2.926 2.867 8.154 138 HA LYS 22 HA LYS 22 -1.300 3.413 5.877 139 HB2 LYS 22 1HB LYS 22 -2.142 4.993 7.705 140 HB3 LYS 22 2HB LYS 22 -0.830 4.405 8.725 141 HG2 LYS 22 1HG LYS 22 0.827 5.197 7.061 142 HG3 LYS 22 2HG LYS 22 -0.486 5.700 5.976 143 HD2 LYS 22 1HD LYS 22 -1.283 7.309 7.698 144 HD3 LYS 22 2HD LYS 22 0.045 6.811 8.771 145 HE2 LYS 22 1HE LYS 22 1.694 7.547 7.062 146 HE3 LYS 22 2HE LYS 22 0.373 8.033 5.991 147 HZ1 LYS 22 3HZ LYS 22 -0.305 9.661 7.676 148 HZ2 LYS 22 1HZ LYS 22 1.243 9.926 7.237 149 HZ3 LYS 22 2HZ LYS 22 0.915 9.211 8.666 150 H ALA 23 H ALA 23 -0.501 1.706 8.886 151 HA ALA 23 HA ALA 23 2.278 1.315 8.424 152 HB1 ALA 23 1HB ALA 23 2.052 -0.472 10.085 153 HB2 ALA 23 2HB ALA 23 1.140 0.964 10.585 154 HB3 ALA 23 3HB ALA 23 0.286 -0.447 9.910 155 H ASN 24 H ASN 24 -0.550 -0.489 7.194 156 HA ASN 24 HA ASN 24 0.963 -2.705 6.123 157 HB2 ASN 24 1HB ASN 24 -1.493 -2.652 6.789 158 HB3 ASN 24 2HB ASN 24 -1.807 -1.702 5.353 159 HD21 ASN 24 1HD2 ASN 24 -0.105 -4.779 6.266 160 HD22 ASN 24 2HD2 ASN 24 -0.803 -5.678 4.929 161 H LEU 25 H LEU 25 -0.146 0.420 4.741 162 HA LEU 25 HA LEU 25 1.026 0.010 2.142 163 HB2 LEU 25 1HB LEU 25 -0.682 1.703 2.513 164 HB3 LEU 25 2HB LEU 25 0.324 2.529 3.703 165 HG LEU 25 HG LEU 25 1.955 3.128 1.954 166 HD11 LEU 25 1HD1 LEU 25 0.040 1.711 0.046 167 HD12 LEU 25 2HD1 LEU 25 1.707 1.215 0.414 168 HD13 LEU 25 3HD1 LEU 25 1.429 2.728 -0.425 169 HD21 LEU 25 3HD2 LEU 25 0.577 4.708 0.721 170 HD22 LEU 25 1HD2 LEU 25 0.038 4.616 2.408 171 HD23 LEU 25 2HD2 LEU 25 -0.885 3.788 1.130 172 H ASN 26 H ASN 26 2.329 1.333 5.243 173 HA ASN 26 HA ASN 26 4.857 2.128 4.126 174 HB2 ASN 26 1HB ASN 26 3.884 1.572 6.926 175 HB3 ASN 26 2HB ASN 26 5.609 1.704 6.618 176 HD21 ASN 26 2HD2 ASN 26 2.531 3.513 6.114 177 HD22 ASN 26 1HD2 ASN 26 3.338 5.081 6.154 178 H VAL 27 H VAL 27 3.889 -1.062 5.541 179 HA VAL 27 HA VAL 27 6.434 -2.312 5.010 180 HB VAL 27 HB VAL 27 3.615 -3.461 5.193 181 HG11 VAL 27 1HG1 VAL 27 6.281 -4.943 5.144 182 HG12 VAL 27 2HG1 VAL 27 4.728 -5.660 5.628 183 HG13 VAL 27 3HG1 VAL 27 4.952 -5.104 3.971 184 HG21 VAL 27 3HG2 VAL 27 4.339 -4.170 7.439 185 HG22 VAL 27 1HG2 VAL 27 5.949 -3.466 7.162 186 HG23 VAL 27 2HG2 VAL 27 4.522 -2.420 7.282 187 H HIS 28 H HIS 28 3.556 -1.847 2.897 188 HA HIS 28 HA HIS 28 4.635 -3.339 0.717 189 HB2 HIS 28 1HB HIS 28 2.266 -2.712 0.873 190 HB3 HIS 28 2HB HIS 28 2.674 -1.011 0.739 191 HD1 HIS 28 1HD HIS 28 2.463 -4.135 -1.472 192 HD2 HIS 28 2HD HIS 28 3.334 -0.030 -1.642 193 HE1 HIS 28 1HE HIS 28 2.636 -3.571 -3.942 194 H LEU 29 H LEU 29 4.949 0.133 1.576 195 HA LEU 29 HA LEU 29 6.596 0.874 -0.675 196 HB2 LEU 29 1HB LEU 29 6.276 2.053 2.089 197 HB3 LEU 29 2HB LEU 29 7.264 2.795 0.832 198 HG LEU 29 HG LEU 29 4.358 2.172 0.339 199 HD11 LEU 29 1HD1 LEU 29 4.581 3.541 2.377 200 HD12 LEU 29 2HD1 LEU 29 4.008 4.589 1.057 201 HD13 LEU 29 3HD1 LEU 29 5.729 4.612 1.565 202 HD21 LEU 29 3HD2 LEU 29 6.319 4.142 -0.913 203 HD22 LEU 29 1HD2 LEU 29 4.575 4.110 -1.227 204 HD23 LEU 29 2HD2 LEU 29 5.562 2.731 -1.694 205 H ARG 30 H ARG 30 7.394 -0.499 2.514 206 HA ARG 30 HA ARG 30 10.140 0.036 2.425 207 HB2 ARG 30 1HB ARG 30 8.527 -2.177 3.746 208 HB3 ARG 30 2HB ARG 30 10.283 -2.195 3.845 209 HG2 ARG 30 1HG ARG 30 10.348 -0.046 4.931 210 HG3 ARG 30 2HG ARG 30 8.637 0.214 4.701 211 HD2 ARG 30 1HD ARG 30 9.035 -0.415 6.990 212 HD3 ARG 30 2HD ARG 30 8.147 -1.719 6.192 213 HE ARG 30 HE ARG 30 10.975 -2.217 6.040 214 HH11 ARG 30 2HH1 ARG 30 8.430 -2.284 8.448 215 HH12 ARG 30 1HH1 ARG 30 9.234 -3.509 9.392 216 HH21 ARG 30 2HH2 ARG 30 11.943 -3.776 7.291 217 HH22 ARG 30 1HH2 ARG 30 11.174 -4.318 8.753 218 H LYS 31 H LYS 31 8.362 -2.103 0.437 219 HA LYS 31 HA LYS 31 10.688 -3.598 -0.605 220 HB2 LYS 31 1HB LYS 31 7.805 -3.511 -1.586 221 HB3 LYS 31 2HB LYS 31 9.068 -4.612 -2.132 222 HG2 LYS 31 1HG LYS 31 9.235 -5.588 0.139 223 HG3 LYS 31 2HG LYS 31 7.959 -4.498 0.713 224 HD2 LYS 31 1HD LYS 31 6.361 -5.483 -0.894 225 HD3 LYS 31 2HD LYS 31 7.631 -6.584 -1.482 226 HE2 LYS 31 1HE LYS 31 7.863 -7.510 0.826 227 HE3 LYS 31 2HE LYS 31 6.566 -6.443 1.377 228 HZ1 LYS 31 3HZ LYS 31 5.064 -7.588 -0.174 229 HZ2 LYS 31 1HZ LYS 31 5.728 -8.664 0.856 230 HZ3 LYS 31 2HZ LYS 31 6.268 -8.572 -0.680 231 H HIS 32 H HIS 32 8.905 -0.634 -1.418 232 HA HIS 32 HA HIS 32 10.231 -0.378 -4.043 233 HB2 HIS 32 1HB HIS 32 8.469 1.488 -2.409 234 HB3 HIS 32 2HB HIS 32 9.142 1.881 -3.989 235 HD1 HIS 32 1HD HIS 32 8.480 -0.296 -5.884 236 HD2 HIS 32 2HD HIS 32 5.976 0.787 -2.690 237 HE1 HIS 32 1HE HIS 32 6.181 -1.153 -6.497 238 H THR 33 H THR 33 10.715 0.864 -0.730 239 HA THR 33 HA THR 33 12.900 2.656 -1.553 240 HB THR 33 HB THR 33 13.014 3.267 0.802 241 HG1 THR 33 1HG THR 33 11.585 2.369 2.261 242 HG21 THR 33 3HG2 THR 33 10.834 4.295 1.056 243 HG22 THR 33 1HG2 THR 33 10.112 3.181 -0.122 244 HG23 THR 33 2HG2 THR 33 11.321 4.373 -0.645 245 H GLY 34 H GLY 34 14.897 2.631 -0.016 246 HA2 GLY 34 1HA GLY 34 16.657 1.476 1.039 247 HA3 GLY 34 2HA GLY 34 15.945 -0.068 0.599 248 H GLU 35 H GLU 35 18.306 -0.410 0.163 249 HA GLU 35 HA GLU 35 19.573 0.874 -2.110 250 HB2 GLU 35 1HB GLU 35 20.361 -1.570 -0.478 251 HB3 GLU 35 2HB GLU 35 21.366 -0.803 -1.714 252 HG2 GLU 35 1HG GLU 35 21.322 1.329 -0.428 253 HG3 GLU 35 2HG GLU 35 20.388 0.538 0.844 254 H LYS 36 H LYS 36 20.370 -0.132 -4.006 255 HA LYS 36 HA LYS 36 18.428 -1.863 -5.373 256 HB2 LYS 36 1HB LYS 36 20.985 -0.525 -6.340 257 HB3 LYS 36 2HB LYS 36 19.875 -1.459 -7.350 258 HG2 LYS 36 1HG LYS 36 18.025 0.125 -6.745 259 HG3 LYS 36 2HG LYS 36 19.191 1.132 -5.884 260 HD2 LYS 36 1HD LYS 36 19.244 0.435 -8.852 261 HD3 LYS 36 2HD LYS 36 18.699 1.965 -8.178 262 HE2 LYS 36 1HE LYS 36 21.542 0.870 -7.942 263 HE3 LYS 36 2HE LYS 36 21.003 2.015 -9.168 264 HZ1 LYS 36 3HZ LYS 36 20.455 3.587 -7.393 265 HZ2 LYS 36 1HZ LYS 36 22.030 3.174 -7.322 266 HZ3 LYS 36 2HZ LYS 36 20.979 2.546 -6.246 Start of MODEL 19 1 H1 GLY 1 1H GLY 1 -22.816 -10.534 -6.519 2 H2 GLY 1 2H GLY 1 -23.491 -11.502 -5.381 3 H3 GLY 1 3H GLY 1 -21.906 -11.668 -5.769 4 HA2 GLY 1 1HA GLY 1 -23.107 -9.310 -4.470 5 HA3 GLY 1 2HA GLY 1 -22.135 -10.545 -3.649 6 H SER 2 H SER 2 -21.490 -7.814 -3.605 7 HA SER 2 HA SER 2 -19.549 -7.032 -5.554 8 HB2 SER 2 1HB SER 2 -19.892 -6.076 -2.687 9 HB3 SER 2 2HB SER 2 -18.999 -5.244 -3.974 10 HG SER 2 HG SER 2 -21.139 -4.430 -3.732 11 H SER 3 H SER 3 -17.285 -6.823 -5.414 12 HA SER 3 HA SER 3 -15.889 -9.076 -4.368 13 HB2 SER 3 1HB SER 3 -14.747 -6.467 -5.432 14 HB3 SER 3 2HB SER 3 -13.905 -8.023 -5.309 15 HG SER 3 HG SER 3 -14.725 -7.650 -7.424 16 H GLY 4 H GLY 4 -16.667 -6.151 -2.757 17 HA2 GLY 4 1HA GLY 4 -15.366 -6.960 -0.320 18 HA3 GLY 4 2HA GLY 4 -14.555 -5.562 -1.035 19 H SER 5 H SER 5 -15.706 -5.327 1.445 20 HA SER 5 HA SER 5 -18.450 -4.371 1.332 21 HB2 SER 5 1HB SER 5 -18.062 -3.878 3.739 22 HB3 SER 5 2HB SER 5 -17.684 -5.546 3.277 23 HG SER 5 HG SER 5 -16.047 -4.614 4.605 24 H SER 6 H SER 6 -15.291 -2.783 1.324 25 HA SER 6 HA SER 6 -16.466 -0.244 0.450 26 HB2 SER 6 1HB SER 6 -15.069 -0.518 3.141 27 HB3 SER 6 2HB SER 6 -15.100 1.013 2.253 28 HG SER 6 HG SER 6 -17.497 -0.405 2.733 29 H GLY 7 H GLY 7 -15.002 1.106 -0.567 30 HA2 GLY 7 1HA GLY 7 -12.494 0.069 -1.572 31 HA3 GLY 7 2HA GLY 7 -13.104 1.715 -1.751 32 H LYS 8 H LYS 8 -10.389 1.048 -1.251 33 HA LYS 8 HA LYS 8 -9.922 1.434 1.644 34 HB2 LYS 8 1HB LYS 8 -8.032 0.615 -0.564 35 HB3 LYS 8 2HB LYS 8 -7.608 0.722 1.141 36 HG2 LYS 8 1HG LYS 8 -9.598 -1.148 -0.147 37 HG3 LYS 8 2HG LYS 8 -8.013 -1.574 0.509 38 HD2 LYS 8 1HD LYS 8 -8.789 -1.070 2.759 39 HD3 LYS 8 2HD LYS 8 -10.381 -0.595 2.169 40 HE2 LYS 8 1HE LYS 8 -9.162 -3.375 1.918 41 HE3 LYS 8 2HE LYS 8 -10.354 -2.876 3.120 42 HZ1 LYS 8 3HZ LYS 8 -11.890 -2.364 1.230 43 HZ2 LYS 8 1HZ LYS 8 -11.483 -3.946 1.312 44 HZ3 LYS 8 2HZ LYS 8 -10.800 -2.989 0.187 45 HA PRO 9 HA PRO 9 -8.536 5.588 1.127 46 HB2 PRO 9 1HB PRO 9 -7.481 6.068 3.607 47 HB3 PRO 9 2HB PRO 9 -9.222 5.811 3.319 48 HG2 PRO 9 1HG PRO 9 -7.187 3.817 4.311 49 HG3 PRO 9 2HG PRO 9 -8.832 4.101 4.925 50 HD2 PRO 9 1HD PRO 9 -8.173 2.054 3.105 51 HD3 PRO 9 2HD PRO 9 -9.748 2.836 3.258 52 H TYR 10 H TYR 10 -5.983 3.450 2.596 53 HA TYR 10 HA TYR 10 -3.923 5.340 1.737 54 HB2 TYR 10 1HB TYR 10 -3.609 2.650 3.123 55 HB3 TYR 10 2HB TYR 10 -2.384 3.890 2.954 56 HD1 TYR 10 2HD TYR 10 -2.603 6.077 4.193 57 HD2 TYR 10 1HD TYR 10 -5.315 2.782 4.840 58 HE1 TYR 10 2HE TYR 10 -3.372 7.121 6.318 59 HE2 TYR 10 1HE TYR 10 -6.048 3.801 6.975 60 HH TYR 10 HH TYR 10 -4.754 6.939 8.143 61 H LYS 11 H LYS 11 -2.756 5.169 -0.163 62 HA LYS 11 HA LYS 11 -2.914 2.630 -1.741 63 HB2 LYS 11 1HB LYS 11 -3.261 5.400 -2.903 64 HB3 LYS 11 2HB LYS 11 -3.484 3.833 -3.692 65 HG2 LYS 11 1HG LYS 11 -5.377 3.392 -2.021 66 HG3 LYS 11 2HG LYS 11 -5.174 5.066 -1.499 67 HD2 LYS 11 1HD LYS 11 -5.628 5.812 -3.828 68 HD3 LYS 11 2HD LYS 11 -5.966 4.133 -4.269 69 HE2 LYS 11 1HE LYS 11 -8.077 5.204 -3.850 70 HE3 LYS 11 2HE LYS 11 -7.766 4.063 -2.539 71 HZ1 LYS 11 3HZ LYS 11 -8.563 6.163 -1.671 72 HZ2 LYS 11 1HZ LYS 11 -7.371 7.010 -2.400 73 HZ3 LYS 11 2HZ LYS 11 -7.016 5.978 -1.176 74 H CYS 12 H CYS 12 -1.253 2.133 -3.121 75 HA CYS 12 HA CYS 12 1.356 3.172 -2.506 76 HB2 CYS 12 1HB CYS 12 0.955 0.840 -3.008 77 HB3 CYS 12 2HB CYS 12 0.380 1.254 -4.630 78 HA PRO 13 HA PRO 13 1.392 6.366 -5.723 79 HB2 PRO 13 1HB PRO 13 3.997 7.153 -5.568 80 HB3 PRO 13 2HB PRO 13 2.803 7.513 -4.286 81 HG2 PRO 13 1HG PRO 13 4.819 5.245 -4.372 82 HG3 PRO 13 2HG PRO 13 4.493 6.386 -3.027 83 HD2 PRO 13 1HD PRO 13 3.373 3.893 -3.161 84 HD3 PRO 13 2HD PRO 13 2.489 5.276 -2.456 85 H GLN 14 H GLN 14 3.016 3.323 -5.864 86 HA GLN 14 HA GLN 14 3.795 3.766 -8.730 87 HB2 GLN 14 1HB GLN 14 5.040 1.901 -6.680 88 HB3 GLN 14 2HB GLN 14 5.456 1.985 -8.397 89 HG2 GLN 14 1HG GLN 14 6.082 4.410 -8.071 90 HG3 GLN 14 2HG GLN 14 5.804 4.208 -6.341 91 HE21 GLN 14 1HE2 GLN 14 8.151 4.974 -6.307 92 HE22 GLN 14 2HE2 GLN 14 9.380 3.728 -6.479 93 H CYS 15 H CYS 15 1.952 1.683 -6.569 94 HA CYS 15 HA CYS 15 1.280 -0.130 -8.865 95 HB2 CYS 15 1HB CYS 15 0.855 -0.746 -5.940 96 HB3 CYS 15 2HB CYS 15 0.875 -1.864 -7.301 97 H SER 16 H SER 16 -0.876 -1.258 -8.526 98 HA SER 16 HA SER 16 -3.111 0.597 -8.050 99 HB2 SER 16 1HB SER 16 -4.482 -1.366 -8.724 100 HB3 SER 16 2HB SER 16 -3.259 -0.921 -9.925 101 HG SER 16 HG SER 16 -3.314 -3.194 -9.534 102 H TYR 17 H TYR 17 -1.131 -1.020 -5.985 103 HA TYR 17 HA TYR 17 -2.790 -2.461 -4.200 104 HB2 TYR 17 1HB TYR 17 -0.375 -2.700 -4.224 105 HB3 TYR 17 2HB TYR 17 -0.154 -1.010 -3.808 106 HD1 TYR 17 1HD TYR 17 -0.605 -0.166 -1.506 107 HD2 TYR 17 2HD TYR 17 -0.997 -4.350 -2.519 108 HE1 TYR 17 1HE TYR 17 -0.645 -0.747 0.902 109 HE2 TYR 17 2HE TYR 17 -1.005 -4.925 -0.098 110 HH TYR 17 HH TYR 17 -0.884 -4.141 2.035 111 H ALA 18 H ALA 18 -4.072 -1.911 -2.548 112 HA ALA 18 HA ALA 18 -3.698 0.603 -1.150 113 HB1 ALA 18 1HB ALA 18 -6.420 -0.078 -2.347 114 HB2 ALA 18 2HB ALA 18 -6.033 1.314 -1.303 115 HB3 ALA 18 3HB ALA 18 -5.337 1.209 -2.924 116 H SER 19 H SER 19 -4.503 0.611 0.977 117 HA SER 19 HA SER 19 -5.802 -1.836 2.033 118 HB2 SER 19 1HB SER 19 -3.272 -2.104 2.169 119 HB3 SER 19 2HB SER 19 -3.271 -0.758 3.322 120 HG SER 19 HG SER 19 -4.544 -3.305 3.528 121 H ALA 20 H ALA 20 -6.470 -1.624 4.301 122 HA ALA 20 HA ALA 20 -7.743 0.987 4.800 123 HB1 ALA 20 1HB ALA 20 -7.988 -1.709 6.194 124 HB2 ALA 20 2HB ALA 20 -8.997 -0.280 6.504 125 HB3 ALA 20 3HB ALA 20 -9.070 -1.078 4.931 126 H ILE 21 H ILE 21 -4.759 -0.260 5.629 127 HA ILE 21 HA ILE 21 -4.588 1.311 8.172 128 HB ILE 21 HB ILE 21 -3.449 -1.442 7.586 129 HG12 ILE 21 1HG1 ILE 21 -5.560 -0.561 9.608 130 HG13 ILE 21 2HG1 ILE 21 -5.860 -1.489 8.138 131 HG21 ILE 21 1HG2 ILE 21 -2.534 -1.393 9.879 132 HG22 ILE 21 2HG2 ILE 21 -1.852 -0.126 8.903 133 HG23 ILE 21 3HG2 ILE 21 -3.121 0.274 10.087 134 HD11 ILE 21 3HD1 ILE 21 -4.400 -3.327 9.037 135 HD12 ILE 21 1HD1 ILE 21 -4.373 -2.455 10.592 136 HD13 ILE 21 2HD1 ILE 21 -5.905 -3.031 9.929 137 H LYS 22 H LYS 22 -2.962 2.730 8.239 138 HA LYS 22 HA LYS 22 -1.335 3.313 5.976 139 HB2 LYS 22 1HB LYS 22 -2.155 4.856 7.829 140 HB3 LYS 22 2HB LYS 22 -0.872 4.214 8.853 141 HG2 LYS 22 1HG LYS 22 0.828 5.029 7.245 142 HG3 LYS 22 2HG LYS 22 -0.457 5.589 6.155 143 HD2 LYS 22 1HD LYS 22 -1.256 7.153 7.921 144 HD3 LYS 22 2HD LYS 22 0.045 6.597 8.995 145 HE2 LYS 22 1HE LYS 22 1.734 7.363 7.338 146 HE3 LYS 22 2HE LYS 22 0.439 7.908 6.264 147 HZ1 LYS 22 3HZ LYS 22 -0.239 9.489 7.997 148 HZ2 LYS 22 1HZ LYS 22 1.321 9.742 7.593 149 HZ3 LYS 22 2HZ LYS 22 0.957 8.982 8.990 150 H ALA 23 H ALA 23 -0.566 1.463 8.899 151 HA ALA 23 HA ALA 23 2.222 1.117 8.457 152 HB1 ALA 23 1HB ALA 23 2.007 -0.732 10.036 153 HB2 ALA 23 2HB ALA 23 1.046 0.656 10.584 154 HB3 ALA 23 3HB ALA 23 0.246 -0.747 9.831 155 H ASN 24 H ASN 24 -0.569 -0.729 7.143 156 HA ASN 24 HA ASN 24 0.970 -2.850 5.951 157 HB2 ASN 24 1HB ASN 24 -1.759 -1.670 5.242 158 HB3 ASN 24 2HB ASN 24 -1.076 -3.098 4.499 159 HD21 ASN 24 1HD2 ASN 24 -3.450 -3.413 5.533 160 HD22 ASN 24 2HD2 ASN 24 -3.351 -4.376 7.011 161 H LEU 25 H LEU 25 -0.118 0.341 4.682 162 HA LEU 25 HA LEU 25 1.144 0.042 2.126 163 HB2 LEU 25 1HB LEU 25 -0.630 1.678 2.517 164 HB3 LEU 25 2HB LEU 25 0.362 2.521 3.713 165 HG LEU 25 HG LEU 25 2.001 3.141 1.966 166 HD11 LEU 25 1HD1 LEU 25 1.748 1.259 0.393 167 HD12 LEU 25 2HD1 LEU 25 1.457 2.787 -0.418 168 HD13 LEU 25 3HD1 LEU 25 0.077 1.757 0.043 169 HD21 LEU 25 3HD2 LEU 25 0.629 4.741 0.766 170 HD22 LEU 25 1HD2 LEU 25 0.097 4.627 2.453 171 HD23 LEU 25 2HD2 LEU 25 -0.836 3.824 1.168 172 H ASN 26 H ASN 26 2.367 1.313 5.264 173 HA ASN 26 HA ASN 26 4.900 2.194 4.227 174 HB2 ASN 26 1HB ASN 26 3.879 1.470 6.974 175 HB3 ASN 26 2HB ASN 26 5.609 1.653 6.714 176 HD21 ASN 26 1HD2 ASN 26 2.502 3.423 6.260 177 HD22 ASN 26 2HD2 ASN 26 3.275 5.003 6.392 178 H VAL 27 H VAL 27 3.972 -1.054 5.538 179 HA VAL 27 HA VAL 27 6.543 -2.246 4.993 180 HB VAL 27 HB VAL 27 3.756 -3.458 5.198 181 HG11 VAL 27 1HG1 VAL 27 6.455 -4.878 5.140 182 HG12 VAL 27 2HG1 VAL 27 4.917 -5.628 5.628 183 HG13 VAL 27 3HG1 VAL 27 5.125 -5.070 3.971 184 HG21 VAL 27 3HG2 VAL 27 6.100 -3.386 7.152 185 HG22 VAL 27 1HG2 VAL 27 4.636 -2.391 7.276 186 HG23 VAL 27 2HG2 VAL 27 4.516 -4.146 7.439 187 H HIS 28 H HIS 28 3.636 -1.856 2.903 188 HA HIS 28 HA HIS 28 4.725 -3.317 0.713 189 HB2 HIS 28 1HB HIS 28 2.352 -2.744 0.886 190 HB3 HIS 28 2HB HIS 28 2.719 -1.027 0.766 191 HD1 HIS 28 1HD HIS 28 2.484 -4.138 -1.451 192 HD2 HIS 28 2HD HIS 28 3.358 -0.034 -1.635 193 HE1 HIS 28 1HE HIS 28 2.599 -3.567 -3.924 194 H LEU 29 H LEU 29 5.003 0.155 1.571 195 HA LEU 29 HA LEU 29 6.622 0.912 -0.701 196 HB2 LEU 29 1HB LEU 29 6.311 2.105 2.059 197 HB3 LEU 29 2HB LEU 29 7.272 2.852 0.783 198 HG LEU 29 HG LEU 29 4.374 2.181 0.327 199 HD11 LEU 29 1HD1 LEU 29 5.713 4.654 1.521 200 HD12 LEU 29 2HD1 LEU 29 4.601 3.564 2.359 201 HD13 LEU 29 3HD1 LEU 29 3.987 4.592 1.041 202 HD21 LEU 29 3HD2 LEU 29 4.535 4.112 -1.251 203 HD22 LEU 29 1HD2 LEU 29 5.548 2.751 -1.722 204 HD23 LEU 29 2HD2 LEU 29 6.282 4.181 -0.957 205 H ARG 30 H ARG 30 7.476 -0.426 2.497 206 HA ARG 30 HA ARG 30 10.214 0.161 2.365 207 HB2 ARG 30 1HB ARG 30 8.711 -2.162 3.645 208 HB3 ARG 30 2HB ARG 30 10.468 -2.082 3.728 209 HG2 ARG 30 1HG ARG 30 10.419 0.043 4.868 210 HG3 ARG 30 2HG ARG 30 8.676 0.168 4.719 211 HD2 ARG 30 1HD ARG 30 8.404 -1.878 6.102 212 HD3 ARG 30 2HD ARG 30 10.152 -2.022 6.252 213 HE ARG 30 HE ARG 30 8.367 -0.136 7.634 214 HH11 ARG 30 2HH2 ARG 30 11.739 -0.776 6.898 215 HH12 ARG 30 1HH2 ARG 30 12.302 0.222 8.210 216 HH21 ARG 30 2HH1 ARG 30 9.162 1.116 9.282 217 HH22 ARG 30 1HH1 ARG 30 10.878 1.260 9.516 218 H LYS 31 H LYS 31 8.412 -2.137 0.498 219 HA LYS 31 HA LYS 31 10.719 -3.588 -0.609 220 HB2 LYS 31 1HB LYS 31 7.828 -3.482 -1.565 221 HB3 LYS 31 2HB LYS 31 9.072 -4.604 -2.108 222 HG2 LYS 31 1HG LYS 31 9.242 -5.569 0.157 223 HG3 LYS 31 2HG LYS 31 8.004 -4.446 0.747 224 HD2 LYS 31 1HD LYS 31 6.379 -5.371 -0.886 225 HD3 LYS 31 2HD LYS 31 7.577 -6.563 -1.408 226 HE2 LYS 31 1HE LYS 31 6.513 -6.266 1.445 227 HE3 LYS 31 2HE LYS 31 5.870 -7.402 0.256 228 HZ1 LYS 31 3HZ LYS 31 7.471 -8.496 1.688 229 HZ2 LYS 31 1HZ LYS 31 8.651 -7.441 1.302 230 HZ3 LYS 31 2HZ LYS 31 8.063 -8.466 0.170 231 H HIS 32 H HIS 32 8.895 -0.654 -1.444 232 HA HIS 32 HA HIS 32 10.210 -0.386 -4.063 233 HB2 HIS 32 1HB HIS 32 8.458 1.448 -2.391 234 HB3 HIS 32 2HB HIS 32 9.122 1.887 -3.966 235 HD1 HIS 32 1HD HIS 32 8.478 -0.310 -5.879 236 HD2 HIS 32 2HD HIS 32 5.963 0.786 -2.700 237 HE1 HIS 32 1HE HIS 32 6.182 -1.172 -6.497 238 H THR 33 H THR 33 10.791 0.827 -0.745 239 HA THR 33 HA THR 33 12.948 2.607 -1.709 240 HB THR 33 HB THR 33 13.002 3.436 0.586 241 HG1 THR 33 1HG THR 33 11.483 2.678 2.056 242 HG21 THR 33 3HG2 THR 33 11.368 4.403 -1.030 243 HG22 THR 33 1HG2 THR 33 10.809 4.487 0.649 244 HG23 THR 33 2HG2 THR 33 10.136 3.263 -0.446 245 H GLY 34 H GLY 34 12.731 -0.457 0.054 246 HA2 GLY 34 1HA GLY 34 15.340 -0.341 1.232 247 HA3 GLY 34 2HA GLY 34 14.287 -1.748 1.104 248 H GLU 35 H GLU 35 14.561 -1.018 -2.035 249 HA GLU 35 HA GLU 35 17.265 -2.042 -2.576 250 HB2 GLU 35 1HB GLU 35 16.507 -3.959 -3.872 251 HB3 GLU 35 2HB GLU 35 16.021 -4.105 -2.188 252 HG2 GLU 35 1HG GLU 35 13.714 -3.392 -2.782 253 HG3 GLU 35 2HG GLU 35 14.199 -3.227 -4.473 254 H LYS 36 H LYS 36 17.747 -2.171 -4.877 255 HA LYS 36 HA LYS 36 18.147 -1.076 -6.827 256 HB2 LYS 36 1HB LYS 36 15.123 -1.242 -7.063 257 HB3 LYS 36 2HB LYS 36 16.258 -0.940 -8.386 258 HG2 LYS 36 1HG LYS 36 17.320 -3.156 -7.998 259 HG3 LYS 36 2HG LYS 36 16.190 -3.466 -6.675 260 HD2 LYS 36 1HD LYS 36 15.417 -4.638 -8.614 261 HD3 LYS 36 2HD LYS 36 14.283 -3.327 -8.261 262 HE2 LYS 36 1HE LYS 36 15.323 -1.944 -10.044 263 HE3 LYS 36 2HE LYS 36 16.504 -3.223 -10.358 264 HZ1 LYS 36 3HZ LYS 36 14.654 -3.315 -11.927 265 HZ2 LYS 36 1HZ LYS 36 13.565 -3.490 -10.724 266 HZ3 LYS 36 2HZ LYS 36 14.658 -4.670 -11.019 Start of MODEL 20 1 H1 GLY 1 1H GLY 1 -22.652 11.626 -9.919 2 H2 GLY 1 2H GLY 1 -21.935 11.735 -11.388 3 H3 GLY 1 3H GLY 1 -21.017 11.594 -10.039 4 HA2 GLY 1 1HA GLY 1 -21.874 9.379 -9.611 5 HA3 GLY 1 2HA GLY 1 -22.844 9.531 -11.087 6 H SER 2 H SER 2 -21.873 7.799 -12.135 7 HA SER 2 HA SER 2 -20.404 6.633 -13.385 8 HB2 SER 2 1HB SER 2 -19.288 9.358 -14.094 9 HB3 SER 2 2HB SER 2 -19.172 7.880 -15.063 10 HG SER 2 HG SER 2 -21.421 7.894 -15.314 11 H SER 3 H SER 3 -19.486 6.942 -10.633 12 HA SER 3 HA SER 3 -16.755 5.935 -10.959 13 HB2 SER 3 1HB SER 3 -16.552 8.461 -10.741 14 HB3 SER 3 2HB SER 3 -17.238 8.307 -9.113 15 HG SER 3 HG SER 3 -14.914 8.281 -9.156 16 H GLY 4 H GLY 4 -15.907 5.108 -8.840 17 HA2 GLY 4 1HA GLY 4 -17.844 3.401 -7.552 18 HA3 GLY 4 2HA GLY 4 -16.149 3.579 -7.106 19 H SER 5 H SER 5 -18.799 3.483 -5.563 20 HA SER 5 HA SER 5 -19.022 6.085 -4.252 21 HB2 SER 5 1HB SER 5 -20.828 4.964 -2.985 22 HB3 SER 5 2HB SER 5 -21.011 4.819 -4.741 23 HG SER 5 HG SER 5 -21.368 2.816 -3.657 24 H SER 6 H SER 6 -17.132 3.270 -3.631 25 HA SER 6 HA SER 6 -16.144 4.373 -1.086 26 HB2 SER 6 1HB SER 6 -18.119 2.895 -0.520 27 HB3 SER 6 2HB SER 6 -17.221 1.529 -1.206 28 HG SER 6 HG SER 6 -16.957 1.766 1.091 29 H GLY 7 H GLY 7 -14.212 3.225 -0.317 30 HA2 GLY 7 1HA GLY 7 -12.787 1.237 -1.722 31 HA3 GLY 7 2HA GLY 7 -12.254 2.793 -2.362 32 H LYS 8 H LYS 8 -10.348 1.356 -1.272 33 HA LYS 8 HA LYS 8 -9.915 1.735 1.578 34 HB2 LYS 8 1HB LYS 8 -8.033 1.018 -0.673 35 HB3 LYS 8 2HB LYS 8 -7.579 0.999 1.027 36 HG2 LYS 8 1HG LYS 8 -9.687 -0.734 -0.290 37 HG3 LYS 8 2HG LYS 8 -8.050 -1.225 0.166 38 HD2 LYS 8 1HD LYS 8 -8.591 -0.988 2.524 39 HD3 LYS 8 2HD LYS 8 -10.221 -0.399 2.131 40 HE2 LYS 8 1HE LYS 8 -10.669 -2.532 0.909 41 HE3 LYS 8 2HE LYS 8 -9.077 -3.131 1.383 42 HZ1 LYS 8 3HZ LYS 8 -9.793 -3.020 3.707 43 HZ2 LYS 8 1HZ LYS 8 -10.845 -3.929 2.859 44 HZ3 LYS 8 2HZ LYS 8 -11.254 -2.410 3.281 45 HA PRO 9 HA PRO 9 -8.314 5.880 1.401 46 HB2 PRO 9 1HB PRO 9 -7.154 6.060 3.883 47 HB3 PRO 9 2HB PRO 9 -8.911 6.033 3.593 48 HG2 PRO 9 1HG PRO 9 -7.138 3.772 4.483 49 HG3 PRO 9 2HG PRO 9 -8.775 4.173 5.039 50 HD2 PRO 9 1HD PRO 9 -8.161 2.205 3.105 51 HD3 PRO 9 2HD PRO 9 -9.707 3.047 3.291 52 H TYR 10 H TYR 10 -5.919 3.412 2.582 53 HA TYR 10 HA TYR 10 -3.730 5.197 1.781 54 HB2 TYR 10 1HB TYR 10 -3.585 2.471 3.112 55 HB3 TYR 10 2HB TYR 10 -2.282 3.628 2.937 56 HD1 TYR 10 2HD TYR 10 -2.329 5.814 4.202 57 HD2 TYR 10 1HD TYR 10 -5.269 2.723 4.827 58 HE1 TYR 10 2HE TYR 10 -3.068 6.936 6.294 59 HE2 TYR 10 1HE TYR 10 -5.953 3.800 6.957 60 HH TYR 10 HH TYR 10 -4.498 6.874 8.097 61 H LYS 11 H LYS 11 -2.754 5.067 -0.164 62 HA LYS 11 HA LYS 11 -2.981 2.585 -1.841 63 HB2 LYS 11 1HB LYS 11 -3.651 5.463 -2.490 64 HB3 LYS 11 2HB LYS 11 -3.252 4.302 -3.759 65 HG2 LYS 11 1HG LYS 11 -5.069 2.911 -3.309 66 HG3 LYS 11 2HG LYS 11 -5.390 3.602 -1.717 67 HD2 LYS 11 1HD LYS 11 -5.759 5.155 -4.306 68 HD3 LYS 11 2HD LYS 11 -7.025 4.186 -3.528 69 HE2 LYS 11 1HE LYS 11 -6.766 5.504 -1.437 70 HE3 LYS 11 2HE LYS 11 -5.551 6.520 -2.224 71 HZ1 LYS 11 3HZ LYS 11 -7.274 7.197 -3.827 72 HZ2 LYS 11 1HZ LYS 11 -7.741 7.553 -2.304 73 HZ3 LYS 11 2HZ LYS 11 -8.389 6.268 -3.072 74 H CYS 12 H CYS 12 -1.295 2.067 -3.148 75 HA CYS 12 HA CYS 12 1.303 3.119 -2.519 76 HB2 CYS 12 1HB CYS 12 0.935 0.784 -3.029 77 HB3 CYS 12 2HB CYS 12 0.378 1.192 -4.657 78 HA PRO 13 HA PRO 13 1.306 6.340 -5.718 79 HB2 PRO 13 1HB PRO 13 3.915 7.132 -5.569 80 HB3 PRO 13 2HB PRO 13 2.718 7.495 -4.288 81 HG2 PRO 13 1HG PRO 13 4.741 5.233 -4.364 82 HG3 PRO 13 2HG PRO 13 4.408 6.376 -3.024 83 HD2 PRO 13 1HD PRO 13 3.302 3.881 -3.150 84 HD3 PRO 13 2HD PRO 13 2.403 5.260 -2.457 85 H GLN 14 H GLN 14 2.970 3.324 -5.846 86 HA GLN 14 HA GLN 14 3.816 3.746 -8.694 87 HB2 GLN 14 1HB GLN 14 5.031 2.068 -6.470 88 HB3 GLN 14 2HB GLN 14 5.515 1.968 -8.168 89 HG2 GLN 14 1HG GLN 14 6.206 4.311 -8.172 90 HG3 GLN 14 2HG GLN 14 5.621 4.540 -6.527 91 HE21 GLN 14 1HE2 GLN 14 7.996 2.498 -8.373 92 HE22 GLN 14 2HE2 GLN 14 9.139 2.456 -7.038 93 H CYS 15 H CYS 15 1.950 1.657 -6.561 94 HA CYS 15 HA CYS 15 1.358 -0.185 -8.861 95 HB2 CYS 15 1HB CYS 15 0.911 -0.804 -5.937 96 HB3 CYS 15 2HB CYS 15 0.956 -1.923 -7.297 97 H SER 16 H SER 16 -0.790 -1.341 -8.545 98 HA SER 16 HA SER 16 -3.051 0.487 -8.089 99 HB2 SER 16 1HB SER 16 -4.393 -1.490 -8.776 100 HB3 SER 16 2HB SER 16 -3.164 -1.031 -9.966 101 HG SER 16 HG SER 16 -3.199 -3.305 -9.573 102 H TYR 17 H TYR 17 -1.074 -1.130 -6.019 103 HA TYR 17 HA TYR 17 -2.724 -2.590 -4.251 104 HB2 TYR 17 1HB TYR 17 -0.309 -2.800 -4.267 105 HB3 TYR 17 2HB TYR 17 -0.110 -1.112 -3.834 106 HD1 TYR 17 1HD TYR 17 -0.568 -0.295 -1.531 107 HD2 TYR 17 2HD TYR 17 -0.949 -4.471 -2.580 108 HE1 TYR 17 1HE TYR 17 -0.588 -0.888 0.864 109 HE2 TYR 17 2HE TYR 17 -0.952 -5.064 -0.155 110 HH TYR 17 HH TYR 17 -0.586 -2.593 2.398 111 H ALA 18 H ALA 18 -3.951 -2.096 -2.527 112 HA ALA 18 HA ALA 18 -3.689 0.486 -1.207 113 HB1 ALA 18 1HB ALA 18 -6.454 -0.421 -2.092 114 HB2 ALA 18 2HB ALA 18 -5.960 1.143 -1.383 115 HB3 ALA 18 3HB ALA 18 -5.476 0.721 -3.032 116 H SER 19 H SER 19 -4.470 0.532 0.934 117 HA SER 19 HA SER 19 -5.722 -1.889 2.072 118 HB2 SER 19 1HB SER 19 -3.185 -2.111 2.288 119 HB3 SER 19 2HB SER 19 -3.254 -0.738 3.409 120 HG SER 19 HG SER 19 -4.505 -3.295 3.616 121 H ALA 20 H ALA 20 -6.408 -1.579 4.340 122 HA ALA 20 HA ALA 20 -7.672 1.073 4.697 123 HB1 ALA 20 1HB ALA 20 -9.060 -0.113 6.347 124 HB2 ALA 20 2HB ALA 20 -9.083 -0.908 4.770 125 HB3 ALA 20 3HB ALA 20 -8.106 -1.591 6.095 126 H ILE 21 H ILE 21 -4.753 -0.187 5.623 127 HA ILE 21 HA ILE 21 -4.610 1.399 8.156 128 HB ILE 21 HB ILE 21 -3.510 -1.381 7.621 129 HG12 ILE 21 1HG1 ILE 21 -5.594 -0.427 9.636 130 HG13 ILE 21 2HG1 ILE 21 -5.921 -1.365 8.178 131 HG21 ILE 21 1HG2 ILE 21 -1.875 -0.097 8.911 132 HG22 ILE 21 2HG2 ILE 21 -3.131 0.373 10.087 133 HG23 ILE 21 3HG2 ILE 21 -2.597 -1.316 9.917 134 HD11 ILE 21 3HD1 ILE 21 -4.449 -2.335 10.640 135 HD12 ILE 21 1HD1 ILE 21 -5.992 -2.890 9.981 136 HD13 ILE 21 2HD1 ILE 21 -4.490 -3.221 9.093 137 H LYS 22 H LYS 22 -2.912 2.762 8.269 138 HA LYS 22 HA LYS 22 -1.265 3.347 6.029 139 HB2 LYS 22 1HB LYS 22 -1.932 4.883 7.929 140 HB3 LYS 22 2HB LYS 22 -0.733 4.081 8.938 141 HG2 LYS 22 1HG LYS 22 1.036 4.725 7.241 142 HG3 LYS 22 2HG LYS 22 -0.199 5.624 6.354 143 HD2 LYS 22 1HD LYS 22 0.677 6.143 9.234 144 HD3 LYS 22 2HD LYS 22 1.229 7.042 7.814 145 HE2 LYS 22 1HE LYS 22 -1.102 7.769 7.357 146 HE3 LYS 22 2HE LYS 22 -1.657 6.895 8.794 147 HZ1 LYS 22 3HZ LYS 22 -0.237 8.349 10.141 148 HZ2 LYS 22 1HZ LYS 22 -1.289 9.246 9.277 149 HZ3 LYS 22 2HZ LYS 22 0.272 9.157 8.815 150 H ALA 23 H ALA 23 -0.480 1.463 8.953 151 HA ALA 23 HA ALA 23 2.262 1.013 8.431 152 HB1 ALA 23 1HB ALA 23 1.122 0.590 10.587 153 HB2 ALA 23 2HB ALA 23 0.256 -0.786 9.857 154 HB3 ALA 23 3HB ALA 23 2.022 -0.833 10.028 155 H ASN 24 H ASN 24 -0.588 -0.762 7.162 156 HA ASN 24 HA ASN 24 0.900 -2.915 5.949 157 HB2 ASN 24 1HB ASN 24 -1.826 -1.695 5.318 158 HB3 ASN 24 2HB ASN 24 -1.191 -3.135 4.548 159 HD21 ASN 24 1HD2 ASN 24 -3.538 -3.403 5.661 160 HD22 ASN 24 2HD2 ASN 24 -3.412 -4.369 7.136 161 H LEU 25 H LEU 25 -0.145 0.305 4.709 162 HA LEU 25 HA LEU 25 1.094 -0.027 2.134 163 HB2 LEU 25 1HB LEU 25 -0.680 1.617 2.513 164 HB3 LEU 25 2HB LEU 25 0.318 2.470 3.695 165 HG LEU 25 HG LEU 25 1.965 3.035 1.927 166 HD11 LEU 25 1HD1 LEU 25 -0.023 1.687 0.047 167 HD12 LEU 25 2HD1 LEU 25 1.639 1.148 0.376 168 HD13 LEU 25 3HD1 LEU 25 1.375 2.676 -0.446 169 HD21 LEU 25 3HD2 LEU 25 0.100 4.574 2.426 170 HD22 LEU 25 1HD2 LEU 25 -0.850 3.799 1.134 171 HD23 LEU 25 2HD2 LEU 25 0.642 4.671 0.742 172 H ASN 26 H ASN 26 2.308 1.314 5.252 173 HA ASN 26 HA ASN 26 4.825 2.191 4.286 174 HB2 ASN 26 1HB ASN 26 3.829 2.665 6.541 175 HB3 ASN 26 2HB ASN 26 4.189 1.003 7.012 176 HD21 ASN 26 1HD2 ASN 26 5.386 2.176 8.775 177 HD22 ASN 26 2HD2 ASN 26 7.032 2.675 8.414 178 H VAL 27 H VAL 27 3.960 -1.095 5.558 179 HA VAL 27 HA VAL 27 6.527 -2.271 4.987 180 HB VAL 27 HB VAL 27 3.743 -3.489 5.218 181 HG11 VAL 27 1HG1 VAL 27 5.089 -5.103 3.969 182 HG12 VAL 27 2HG1 VAL 27 6.436 -4.917 5.117 183 HG13 VAL 27 3HG1 VAL 27 4.906 -5.663 5.629 184 HG21 VAL 27 3HG2 VAL 27 6.116 -3.447 7.140 185 HG22 VAL 27 1HG2 VAL 27 4.672 -2.427 7.288 186 HG23 VAL 27 2HG2 VAL 27 4.525 -4.180 7.449 187 H HIS 28 H HIS 28 3.599 -1.910 2.912 188 HA HIS 28 HA HIS 28 4.687 -3.374 0.724 189 HB2 HIS 28 1HB HIS 28 2.310 -2.805 0.879 190 HB3 HIS 28 2HB HIS 28 2.677 -1.088 0.772 191 HD1 HIS 28 1HD HIS 28 2.507 -4.188 -1.474 192 HD2 HIS 28 2HD HIS 28 3.326 -0.072 -1.615 193 HE1 HIS 28 1HE HIS 28 2.681 -3.604 -3.940 194 H LEU 29 H LEU 29 4.941 0.106 1.559 195 HA LEU 29 HA LEU 29 6.523 0.882 -0.725 196 HB2 LEU 29 1HB LEU 29 6.222 2.041 2.046 197 HB3 LEU 29 2HB LEU 29 7.195 2.819 0.805 198 HG LEU 29 HG LEU 29 4.325 2.112 0.269 199 HD11 LEU 29 1HD1 LEU 29 3.845 4.485 1.083 200 HD12 LEU 29 2HD1 LEU 29 5.556 4.570 1.613 201 HD13 LEU 29 3HD1 LEU 29 4.451 3.414 2.371 202 HD21 LEU 29 3HD2 LEU 29 4.454 4.114 -1.221 203 HD22 LEU 29 1HD2 LEU 29 5.528 2.813 -1.718 204 HD23 LEU 29 2HD2 LEU 29 6.188 4.234 -0.874 205 H ARG 30 H ARG 30 7.450 -0.453 2.463 206 HA ARG 30 HA ARG 30 10.169 0.182 2.293 207 HB2 ARG 30 1HB ARG 30 8.746 -2.186 3.572 208 HB3 ARG 30 2HB ARG 30 10.499 -2.039 3.645 209 HG2 ARG 30 1HG ARG 30 10.360 0.099 4.789 210 HG3 ARG 30 2HG ARG 30 8.621 0.146 4.622 211 HD2 ARG 30 1HD ARG 30 9.139 -0.510 6.864 212 HD3 ARG 30 2HD ARG 30 8.441 -1.907 6.027 213 HE ARG 30 HE ARG 30 11.313 -1.958 5.827 214 HH11 ARG 30 2HH1 ARG 30 8.839 -2.526 8.244 215 HH12 ARG 30 1HH1 ARG 30 9.834 -3.654 9.126 216 HH21 ARG 30 2HH2 ARG 30 12.524 -3.407 6.999 217 HH22 ARG 30 1HH2 ARG 30 11.866 -4.126 8.439 218 H LYS 31 H LYS 31 8.399 -2.102 0.411 219 HA LYS 31 HA LYS 31 10.698 -3.572 -0.677 220 HB2 LYS 31 1HB LYS 31 7.805 -3.505 -1.618 221 HB3 LYS 31 2HB LYS 31 9.060 -4.621 -2.152 222 HG2 LYS 31 1HG LYS 31 9.266 -5.514 0.162 223 HG3 LYS 31 2HG LYS 31 7.963 -4.434 0.691 224 HD2 LYS 31 1HD LYS 31 6.406 -5.512 -0.911 225 HD3 LYS 31 2HD LYS 31 7.708 -6.610 -1.428 226 HE2 LYS 31 1HE LYS 31 7.916 -7.433 0.921 227 HE3 LYS 31 2HE LYS 31 6.588 -6.371 1.405 228 HZ1 LYS 31 3HZ LYS 31 5.806 -8.630 0.962 229 HZ2 LYS 31 1HZ LYS 31 6.372 -8.590 -0.566 230 HZ3 LYS 31 2HZ LYS 31 5.138 -7.613 -0.126 231 H HIS 32 H HIS 32 8.985 -0.589 -1.456 232 HA HIS 32 HA HIS 32 10.370 -0.341 -4.071 233 HB2 HIS 32 1HB HIS 32 8.542 1.497 -2.487 234 HB3 HIS 32 2HB HIS 32 9.204 1.858 -4.084 235 HD1 HIS 32 1HD HIS 32 8.561 -0.665 -5.741 236 HD2 HIS 32 2HD HIS 32 6.036 0.977 -2.812 237 HE1 HIS 32 1HE HIS 32 6.233 -1.480 -6.307 238 H THR 33 H THR 33 10.521 1.117 -0.783 239 HA THR 33 HA THR 33 12.579 3.013 -1.608 240 HB THR 33 HB THR 33 12.395 3.878 0.679 241 HG1 THR 33 1HG THR 33 10.800 3.017 2.021 242 HG21 THR 33 3HG2 THR 33 10.823 4.659 -1.093 243 HG22 THR 33 1HG2 THR 33 10.106 4.707 0.527 244 HG23 THR 33 2HG2 THR 33 9.662 3.407 -0.598 245 H GLY 34 H GLY 34 12.488 0.524 0.976 246 HA2 GLY 34 1HA GLY 34 15.337 0.796 1.515 247 HA3 GLY 34 2HA GLY 34 14.195 -0.305 2.289 248 H GLU 35 H GLU 35 13.303 -1.819 0.097 249 HA GLU 35 HA GLU 35 15.608 -3.571 -0.286 250 HB2 GLU 35 1HB GLU 35 13.319 -4.378 0.250 251 HB3 GLU 35 2HB GLU 35 12.793 -3.882 -1.365 252 HG2 GLU 35 1HG GLU 35 14.445 -5.424 -2.385 253 HG3 GLU 35 2HG GLU 35 15.036 -5.865 -0.783 254 H LYS 36 H LYS 36 17.094 -3.144 -1.742 255 HA LYS 36 HA LYS 36 16.424 -2.687 -4.595 256 HB2 LYS 36 1HB LYS 36 18.203 -0.896 -2.885 257 HB3 LYS 36 2HB LYS 36 18.352 -1.001 -4.642 258 HG2 LYS 36 1HG LYS 36 16.019 -0.274 -4.933 259 HG3 LYS 36 2HG LYS 36 15.822 -0.154 -3.170 260 HD2 LYS 36 1HD LYS 36 17.465 1.614 -3.019 261 HD3 LYS 36 2HD LYS 36 17.937 1.395 -4.708 262 HE2 LYS 36 1HE LYS 36 16.557 3.378 -4.463 263 HE3 LYS 36 2HE LYS 36 15.770 2.186 -5.497 264 HZ1 LYS 36 3HZ LYS 36 14.269 1.636 -3.724 265 HZ2 LYS 36 1HZ LYS 36 14.297 3.257 -3.809 266 HZ3 LYS 36 2HZ LYS 36 15.115 2.487 -2.611
Contact the webmaster for help, if required. Friday, May 10, 2024 1:24:02 AM GMT (wattos1)