NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
621551 | 5wod | 30320 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 1 HN SER 1 3.019 10.312 2.151 2 HA SER 1 HA SER 1 5.593 11.412 1.257 3 HB2 SER 1 HB2 SER 1 5.613 9.961 3.291 4 HB3 SER 1 HB1 SER 1 4.962 8.641 2.323 5 HG SER 1 HG SER 1 7.217 8.475 2.507 6 HA PRO 2 HA PRO 2 3.725 10.053 -2.717 7 HB2 PRO 2 HB2 PRO 2 6.179 11.429 -3.678 8 HB3 PRO 2 HB1 PRO 2 4.503 11.610 -4.211 9 HG2 PRO 2 HG2 PRO 2 5.635 13.480 -2.714 10 HG3 PRO 2 HG1 PRO 2 3.950 13.003 -2.434 11 HD2 PRO 2 HD2 PRO 2 6.411 12.262 -0.903 12 HD3 PRO 2 HD1 PRO 2 4.794 12.681 -0.302 13 H GLU 3 HN GLU 3 7.220 9.899 -1.988 14 HA GLU 3 HA GLU 3 7.857 7.979 -3.950 15 HB2 GLU 3 HB2 GLU 3 9.219 8.482 -1.300 16 HB3 GLU 3 HB1 GLU 3 9.910 7.604 -2.656 17 HG2 GLU 3 HG2 GLU 3 9.942 9.581 -3.999 18 HG3 GLU 3 HG1 GLU 3 9.075 10.490 -2.764 19 H GLU 4 HN GLU 4 7.016 7.615 -0.539 20 HA GLU 4 HA GLU 4 7.221 4.772 -0.610 21 HB2 GLU 4 HB2 GLU 4 5.991 6.649 1.394 22 HB3 GLU 4 HB1 GLU 4 6.086 4.906 1.616 23 HG2 GLU 4 HG2 GLU 4 8.494 4.992 1.529 24 HG3 GLU 4 HG1 GLU 4 8.444 6.723 1.205 25 H ARG 5 HN ARG 5 4.644 7.104 -1.046 26 HA ARG 5 HA ARG 5 2.493 5.338 -0.921 27 HB2 ARG 5 HB2 ARG 5 2.316 7.816 -0.901 28 HB3 ARG 5 HB1 ARG 5 2.742 7.830 -2.607 29 HG2 ARG 5 HG2 ARG 5 0.745 6.543 -3.126 30 HG3 ARG 5 HG1 ARG 5 0.350 6.498 -1.406 31 HD2 ARG 5 HD2 ARG 5 -0.942 8.222 -2.566 32 HD3 ARG 5 HD1 ARG 5 0.147 8.927 -1.375 33 HE ARG 5 HE ARG 5 1.428 8.868 -3.866 34 HH11 ARG 5 HH11 ARG 5 -1.238 10.515 -2.260 35 HH12 ARG 5 HH12 ARG 5 -1.081 11.951 -3.211 36 HH21 ARG 5 HH21 ARG 5 1.628 10.791 -5.124 37 HH22 ARG 5 HH22 ARG 5 0.550 12.111 -4.834 38 H ALA 6 HN ALA 6 4.519 6.386 -3.629 39 HA ALA 6 HA ALA 6 3.158 4.996 -5.640 40 HB1 ALA 6 HB1 ALA 6 6.098 5.655 -5.498 41 HB2 ALA 6 HB2 ALA 6 4.831 6.730 -6.088 42 HB3 ALA 6 HB3 ALA 6 5.195 5.238 -6.954 43 H GLN 7 HN GLN 7 5.812 4.001 -3.520 44 HA GLN 7 HA GLN 7 6.212 1.461 -4.736 45 HB2 GLN 7 HB2 GLN 7 6.840 2.337 -1.909 46 HB3 GLN 7 HB1 GLN 7 7.484 0.913 -2.707 47 HG2 GLN 7 HG2 GLN 7 8.646 2.330 -4.314 48 HG3 GLN 7 HG1 GLN 7 7.974 3.763 -3.539 49 HE21 GLN 7 HE21 GLN 7 10.750 2.973 -3.920 50 HE22 GLN 7 HE22 GLN 7 11.459 2.925 -2.347 51 H LEU 8 HN LEU 8 4.397 2.502 -1.879 52 HA LEU 8 HA LEU 8 3.531 -0.113 -1.202 53 HB2 LEU 8 HB2 LEU 8 2.715 2.610 -0.281 54 HB3 LEU 8 HB1 LEU 8 1.940 1.152 0.313 55 HG LEU 8 HG LEU 8 4.910 1.635 0.516 56 HD11 LEU 8 HD11 LEU 8 2.705 2.240 2.454 57 HD12 LEU 8 HD12 LEU 8 3.921 3.343 1.794 58 HD13 LEU 8 HD13 LEU 8 4.397 2.074 2.921 59 HD21 LEU 8 HD21 LEU 8 4.782 -0.134 2.204 60 HD22 LEU 8 HD22 LEU 8 4.230 -0.703 0.628 61 HD23 LEU 8 HD23 LEU 8 3.056 -0.304 1.885 62 H LEU 9 HN LEU 9 2.015 2.527 -3.029 63 HA LEU 9 HA LEU 9 -0.535 1.367 -3.091 64 HB2 LEU 9 HB2 LEU 9 -0.123 3.730 -3.434 65 HB3 LEU 9 HB1 LEU 9 0.752 3.372 -4.910 66 HG LEU 9 HG LEU 9 -1.268 2.423 -5.832 67 HD11 LEU 9 HD11 LEU 9 -2.586 3.520 -3.359 68 HD12 LEU 9 HD12 LEU 9 -2.458 1.821 -3.817 69 HD13 LEU 9 HD13 LEU 9 -3.442 2.921 -4.778 70 HD21 LEU 9 HD21 LEU 9 -0.640 4.694 -6.349 71 HD22 LEU 9 HD22 LEU 9 -1.469 5.267 -4.901 72 HD23 LEU 9 HD23 LEU 9 -2.397 4.576 -6.233 73 H THR 10 HN THR 10 2.227 1.248 -5.326 74 HA THR 10 HA THR 10 0.863 -0.274 -7.290 75 HB THR 10 HB THR 10 3.185 -0.902 -8.069 76 HG1 THR 10 HG1 THR 10 4.175 1.077 -6.323 77 HG21 THR 10 HG21 THR 10 1.992 1.042 -8.968 78 HG22 THR 10 HG22 THR 10 3.724 1.351 -8.864 79 HG23 THR 10 HG23 THR 10 2.632 2.040 -7.663 80 H ALA 11 HN ALA 11 2.679 -1.079 -4.411 81 HA ALA 11 HA ALA 11 2.826 -3.873 -4.805 82 HB1 ALA 11 HB1 ALA 11 3.327 -4.001 -2.452 83 HB2 ALA 11 HB2 ALA 11 2.728 -2.359 -2.204 84 HB3 ALA 11 HB3 ALA 11 4.183 -2.632 -3.161 85 H ALA 12 HN ALA 12 0.427 -1.753 -3.341 86 HA ALA 12 HA ALA 12 -1.326 -3.724 -2.364 87 HB1 ALA 12 HB1 ALA 12 -1.508 -1.386 -1.717 88 HB2 ALA 12 HB2 ALA 12 -3.027 -1.948 -2.419 89 HB3 ALA 12 HB3 ALA 12 -1.933 -0.944 -3.370 90 H GLU 13 HN GLU 13 -1.120 -2.086 -5.492 91 HA GLU 13 HA GLU 13 -3.387 -3.303 -6.644 92 HB2 GLU 13 HB2 GLU 13 -0.896 -2.256 -8.009 93 HB3 GLU 13 HB1 GLU 13 -2.432 -2.598 -8.799 94 HG2 GLU 13 HG2 GLU 13 -3.487 -0.881 -7.345 95 HG3 GLU 13 HG1 GLU 13 -1.883 -0.488 -6.730 96 H LYS 14 HN LYS 14 0.027 -4.196 -6.579 97 HA LYS 14 HA LYS 14 -0.208 -6.457 -8.267 98 HB2 LYS 14 HB2 LYS 14 1.954 -5.402 -7.820 99 HB3 LYS 14 HB1 LYS 14 1.833 -5.828 -6.121 100 HG2 LYS 14 HG2 LYS 14 3.350 -7.326 -7.257 101 HG3 LYS 14 HG1 LYS 14 1.920 -8.207 -6.719 102 HD2 LYS 14 HD2 LYS 14 0.988 -8.057 -8.985 103 HD3 LYS 14 HD1 LYS 14 2.432 -7.192 -9.517 104 HE2 LYS 14 HE2 LYS 14 3.802 -9.143 -8.940 105 HE3 LYS 14 HE1 LYS 14 2.355 -10.001 -8.413 106 HZ1 LYS 14 HZ1 LYS 14 2.914 -9.053 -11.172 107 HZ2 LYS 14 HZ2 LYS 14 1.496 -9.826 -10.679 108 HZ3 LYS 14 HZ3 LYS 14 2.966 -10.656 -10.638 109 H ALA 15 HN ALA 15 -0.546 -6.007 -4.786 110 HA ALA 15 HA ALA 15 -0.677 -8.710 -4.039 111 HB1 ALA 15 HB1 ALA 15 -2.162 -6.408 -2.781 112 HB2 ALA 15 HB2 ALA 15 -0.476 -6.808 -2.471 113 HB3 ALA 15 HB3 ALA 15 -1.747 -7.945 -2.020 114 H ASP 16 HN ASP 16 -3.117 -6.482 -5.217 115 HA ASP 16 HA ASP 16 -5.351 -8.211 -4.938 116 HB2 ASP 16 HB2 ASP 16 -5.634 -5.806 -5.206 117 HB3 ASP 16 HB1 ASP 16 -4.872 -5.863 -6.787 118 H GLU 17 HN GLU 17 -3.163 -7.456 -7.571 119 HA GLU 17 HA GLU 17 -4.373 -9.109 -9.518 120 HB2 GLU 17 HB2 GLU 17 -1.568 -8.041 -9.303 121 HB3 GLU 17 HB1 GLU 17 -2.214 -8.821 -10.732 122 HG2 GLU 17 HG2 GLU 17 -3.953 -7.052 -10.836 123 HG3 GLU 17 HG1 GLU 17 -3.146 -6.249 -9.490 124 H LEU 18 HN LEU 18 -1.866 -9.705 -7.114 125 HA LEU 18 HA LEU 18 -1.242 -12.298 -8.183 126 HB2 LEU 18 HB2 LEU 18 0.388 -10.787 -7.049 127 HB3 LEU 18 HB1 LEU 18 -0.451 -11.101 -5.545 128 HG LEU 18 HG LEU 18 0.154 -13.426 -5.631 129 HD11 LEU 18 HD11 LEU 18 0.071 -13.811 -8.020 130 HD12 LEU 18 HD12 LEU 18 1.657 -14.272 -7.402 131 HD13 LEU 18 HD13 LEU 18 1.455 -12.748 -8.266 132 HD21 LEU 18 HD21 LEU 18 1.732 -11.881 -4.637 133 HD22 LEU 18 HD22 LEU 18 2.481 -11.624 -6.214 134 HD23 LEU 18 HD23 LEU 18 2.582 -13.206 -5.437 135 H GLY 19 HN GLY 19 -3.535 -10.964 -6.042 136 HA2 GLY 19 HA2 GLY 19 -5.354 -11.956 -5.047 137 HA3 GLY 19 HA1 GLY 19 -4.849 -13.478 -5.757 138 H CYS 20 HN CYS 20 -2.811 -11.573 -3.636 139 HA CYS 20 HA CYS 20 -2.761 -13.805 -1.756 140 HB2 CYS 20 HB2 CYS 20 -1.124 -11.270 -1.843 141 HB3 CYS 20 HB1 CYS 20 -0.855 -12.621 -0.751 142 HG CYS 20 HG CYS 20 1.114 -12.698 -2.651 143 HA PRO 21 HA PRO 21 -5.897 -11.437 0.512 144 HB2 PRO 21 HB2 PRO 21 -6.306 -13.348 2.437 145 HB3 PRO 21 HB1 PRO 21 -7.091 -13.350 0.855 146 HG2 PRO 21 HG2 PRO 21 -4.703 -14.885 1.789 147 HG3 PRO 21 HG1 PRO 21 -6.047 -15.419 0.764 148 HD2 PRO 21 HD2 PRO 21 -3.637 -14.761 -0.243 149 HD3 PRO 21 HD1 PRO 21 -5.144 -14.458 -1.131 150 H GLU 22 HN GLU 22 -3.259 -13.171 2.155 151 HA GLU 22 HA GLU 22 -3.423 -11.662 4.559 152 HB2 GLU 22 HB2 GLU 22 -2.368 -13.904 4.382 153 HB3 GLU 22 HB1 GLU 22 -1.071 -13.195 3.434 154 HG2 GLU 22 HG2 GLU 22 -0.284 -13.469 5.647 155 HG3 GLU 22 HG1 GLU 22 -0.538 -11.745 5.384 156 H GLU 23 HN GLU 23 -1.421 -11.442 1.665 157 HA GLU 23 HA GLU 23 0.166 -9.295 2.653 158 HB2 GLU 23 HB2 GLU 23 -0.189 -10.208 -0.201 159 HB3 GLU 23 HB1 GLU 23 1.091 -9.169 0.405 160 HG2 GLU 23 HG2 GLU 23 1.766 -11.082 1.903 161 HG3 GLU 23 HG1 GLU 23 0.646 -12.081 0.981 162 H ARG 24 HN ARG 24 -2.705 -9.488 0.594 163 HA ARG 24 HA ARG 24 -2.613 -6.842 -0.330 164 HB2 ARG 24 HB2 ARG 24 -4.889 -7.107 -1.045 165 HB3 ARG 24 HB1 ARG 24 -4.039 -8.615 -1.326 166 HG2 ARG 24 HG2 ARG 24 -5.055 -9.523 0.732 167 HG3 ARG 24 HG1 ARG 24 -5.960 -8.018 0.910 168 HD2 ARG 24 HD2 ARG 24 -6.111 -9.915 -1.424 169 HD3 ARG 24 HD1 ARG 24 -7.320 -9.749 -0.152 170 HE ARG 24 HE ARG 24 -7.526 -7.378 -0.972 171 HH11 ARG 24 HH11 ARG 24 -6.651 -10.042 -3.089 172 HH12 ARG 24 HH12 ARG 24 -7.213 -9.252 -4.523 173 HH21 ARG 24 HH21 ARG 24 -8.271 -6.335 -2.871 174 HH22 ARG 24 HH22 ARG 24 -8.105 -7.116 -4.411 175 H ALA 25 HN ALA 25 -4.032 -8.179 2.608 176 HA ALA 25 HA ALA 25 -5.450 -5.900 3.397 177 HB1 ALA 25 HB1 ALA 25 -4.108 -7.961 5.127 178 HB2 ALA 25 HB2 ALA 25 -5.737 -8.070 4.458 179 HB3 ALA 25 HB3 ALA 25 -5.351 -6.827 5.651 180 H GLN 26 HN GLN 26 -2.095 -6.843 3.970 181 HA GLN 26 HA GLN 26 -1.499 -4.554 5.578 182 HB2 GLN 26 HB2 GLN 26 0.362 -6.469 4.168 183 HB3 GLN 26 HB1 GLN 26 0.840 -5.287 5.377 184 HG2 GLN 26 HG2 GLN 26 -0.527 -6.432 7.041 185 HG3 GLN 26 HG1 GLN 26 -1.014 -7.611 5.824 186 HE21 GLN 26 HE21 GLN 26 0.389 -8.011 8.340 187 HE22 GLN 26 HE22 GLN 26 1.882 -8.782 7.939 188 H LEU 27 HN LEU 27 -1.039 -5.425 2.197 189 HA LEU 27 HA LEU 27 0.545 -3.157 1.590 190 HB2 LEU 27 HB2 LEU 27 -0.831 -5.191 -0.101 191 HB3 LEU 27 HB1 LEU 27 0.064 -3.847 -0.789 192 HG LEU 27 HG LEU 27 1.274 -5.840 1.124 193 HD11 LEU 27 HD11 LEU 27 0.629 -6.998 -0.863 194 HD12 LEU 27 HD12 LEU 27 2.379 -6.759 -0.865 195 HD13 LEU 27 HD13 LEU 27 1.343 -5.739 -1.869 196 HD21 LEU 27 HD21 LEU 27 3.385 -4.922 0.294 197 HD22 LEU 27 HD22 LEU 27 2.399 -3.678 1.062 198 HD23 LEU 27 HD23 LEU 27 2.490 -3.774 -0.700 199 H LEU 28 HN LEU 28 -2.932 -3.849 1.167 200 HA LEU 28 HA LEU 28 -3.448 -1.489 -0.307 201 HB2 LEU 28 HB2 LEU 28 -5.127 -3.469 1.130 202 HB3 LEU 28 HB1 LEU 28 -5.845 -1.913 0.762 203 HG LEU 28 HG LEU 28 -5.270 -2.285 -1.642 204 HD11 LEU 28 HD11 LEU 28 -3.475 -3.876 -1.403 205 HD12 LEU 28 HD12 LEU 28 -4.771 -4.555 -2.389 206 HD13 LEU 28 HD13 LEU 28 -4.585 -5.056 -0.708 207 HD21 LEU 28 HD21 LEU 28 -7.085 -3.859 -2.053 208 HD22 LEU 28 HD22 LEU 28 -7.503 -2.703 -0.788 209 HD23 LEU 28 HD23 LEU 28 -7.042 -4.351 -0.360 210 H THR 29 HN THR 29 -3.581 -2.192 3.158 211 HA THR 29 HA THR 29 -4.553 0.360 3.894 212 HB THR 29 HB THR 29 -3.596 -0.224 6.171 213 HG1 THR 29 HG1 THR 29 -3.242 -2.855 5.332 214 HG21 THR 29 HG21 THR 29 -5.390 -2.247 4.825 215 HG22 THR 29 HG22 THR 29 -5.904 -0.743 5.590 216 HG23 THR 29 HG23 THR 29 -5.214 -2.039 6.567 217 H ALA 30 HN ALA 30 -1.340 -0.991 3.442 218 HA ALA 30 HA ALA 30 0.168 1.172 4.415 219 HB1 ALA 30 HB1 ALA 30 1.002 -1.126 3.918 220 HB2 ALA 30 HB2 ALA 30 2.014 0.193 3.342 221 HB3 ALA 30 HB3 ALA 30 0.983 -0.688 2.207 222 H ALA 31 HN ALA 31 -1.186 0.481 1.234 223 HA ALA 31 HA ALA 31 0.024 2.542 -0.241 224 HB1 ALA 31 HB1 ALA 31 -1.209 0.705 -1.250 225 HB2 ALA 31 HB2 ALA 31 -1.851 2.263 -1.775 226 HB3 ALA 31 HB3 ALA 31 -2.710 1.320 -0.559 227 H GLU 32 HN GLU 32 -3.028 2.467 1.560 228 HA GLU 32 HA GLU 32 -3.612 5.202 1.006 229 HB2 GLU 32 HB2 GLU 32 -4.842 3.288 2.981 230 HB3 GLU 32 HB1 GLU 32 -5.461 4.896 2.622 231 HG2 GLU 32 HG2 GLU 32 -5.692 4.209 0.245 232 HG3 GLU 32 HG1 GLU 32 -5.243 2.576 0.726 233 H LYS 33 HN LYS 33 -2.038 3.504 3.628 234 HA LYS 33 HA LYS 33 -2.078 5.623 5.495 235 HB2 LYS 33 HB2 LYS 33 -1.588 3.266 6.095 236 HB3 LYS 33 HB1 LYS 33 -0.052 3.390 5.250 237 HG2 LYS 33 HG2 LYS 33 0.309 3.625 7.616 238 HG3 LYS 33 HG1 LYS 33 0.635 5.167 6.821 239 HD2 LYS 33 HD2 LYS 33 -1.653 5.912 7.441 240 HD3 LYS 33 HD1 LYS 33 -1.865 4.403 8.331 241 HE2 LYS 33 HE2 LYS 33 0.071 5.002 9.734 242 HE3 LYS 33 HE1 LYS 33 0.203 6.529 8.866 243 HZ1 LYS 33 HZ1 LYS 33 -2.080 5.638 10.535 244 HZ2 LYS 33 HZ2 LYS 33 -2.067 7.059 9.610 245 HZ3 LYS 33 HZ3 LYS 33 -0.983 6.873 10.895 246 H ALA 34 HN ALA 34 0.267 4.657 3.027 247 HA ALA 34 HA ALA 34 2.252 6.549 3.630 248 HB1 ALA 34 HB1 ALA 34 3.078 6.151 1.384 249 HB2 ALA 34 HB2 ALA 34 1.543 5.403 0.937 250 HB3 ALA 34 HB3 ALA 34 2.581 4.635 2.136 251 H ASP 35 HN ASP 35 -0.661 6.736 1.700 252 HA ASP 35 HA ASP 35 -0.178 9.299 0.599 253 HB2 ASP 35 HB2 ASP 35 -1.825 7.820 -0.406 254 HB3 ASP 35 HB1 ASP 35 -2.770 7.812 1.080 255 H GLU 36 HN GLU 36 -1.799 8.164 3.515 256 HA GLU 36 HA GLU 36 -2.772 10.620 4.418 257 HB2 GLU 36 HB2 GLU 36 -3.409 8.378 5.278 258 HB3 GLU 36 HB1 GLU 36 -1.834 8.263 6.050 259 HG2 GLU 36 HG2 GLU 36 -2.371 10.251 7.379 260 HG3 GLU 36 HG1 GLU 36 -3.959 10.281 6.610 261 H LEU 37 HN LEU 37 0.371 9.092 4.658 262 HA LEU 37 HA LEU 37 1.457 10.961 6.547 263 HB2 LEU 37 HB2 LEU 37 2.832 9.053 4.686 264 HB3 LEU 37 HB1 LEU 37 3.585 9.915 6.011 265 HG LEU 37 HG LEU 37 1.447 7.809 6.263 266 HD11 LEU 37 HD11 LEU 37 3.219 6.470 7.222 267 HD12 LEU 37 HD12 LEU 37 4.359 7.796 6.960 268 HD13 LEU 37 HD13 LEU 37 3.627 6.979 5.578 269 HD21 LEU 37 HD21 LEU 37 1.235 9.467 8.026 270 HD22 LEU 37 HD22 LEU 37 2.961 9.353 8.368 271 HD23 LEU 37 HD23 LEU 37 1.909 7.973 8.677 272 H GLY 38 HN GLY 38 0.809 11.004 3.227 273 HA2 GLY 38 HA2 GLY 38 1.251 12.550 1.596 274 HA3 GLY 38 HA1 GLY 38 1.951 13.571 2.843 Start of MODEL 2 1 H1 SER 1 HN SER 1 3.886 10.765 2.733 2 HA SER 1 HA SER 1 6.059 11.802 1.142 3 HB2 SER 1 HB2 SER 1 7.012 9.476 1.664 4 HB3 SER 1 HB1 SER 1 6.729 10.556 3.030 5 HG SER 1 HG SER 1 4.775 8.708 2.171 6 HA PRO 2 HA PRO 2 4.007 10.156 -2.563 7 HB2 PRO 2 HB2 PRO 2 6.344 11.383 -3.883 8 HB3 PRO 2 HB1 PRO 2 4.622 11.649 -4.171 9 HG2 PRO 2 HG2 PRO 2 6.107 13.499 -2.951 10 HG3 PRO 2 HG1 PRO 2 4.435 13.185 -2.452 11 HD2 PRO 2 HD2 PRO 2 6.988 12.276 -1.187 12 HD3 PRO 2 HD1 PRO 2 5.516 12.913 -0.422 13 H GLU 3 HN GLU 3 7.509 9.909 -1.905 14 HA GLU 3 HA GLU 3 8.015 7.916 -3.843 15 HB2 GLU 3 HB2 GLU 3 9.513 8.446 -1.268 16 HB3 GLU 3 HB1 GLU 3 10.102 7.484 -2.614 17 HG2 GLU 3 HG2 GLU 3 9.584 10.445 -2.568 18 HG3 GLU 3 HG1 GLU 3 11.134 9.622 -2.727 19 H GLU 4 HN GLU 4 7.267 7.722 -0.399 20 HA GLU 4 HA GLU 4 7.323 4.892 -0.283 21 HB2 GLU 4 HB2 GLU 4 6.067 6.980 1.491 22 HB3 GLU 4 HB1 GLU 4 5.944 5.260 1.830 23 HG2 GLU 4 HG2 GLU 4 8.510 6.813 1.593 24 HG3 GLU 4 HG1 GLU 4 7.730 6.338 3.102 25 H ARG 5 HN ARG 5 4.765 7.272 -0.825 26 HA ARG 5 HA ARG 5 2.609 5.517 -0.744 27 HB2 ARG 5 HB2 ARG 5 2.401 7.959 -0.621 28 HB3 ARG 5 HB1 ARG 5 2.900 8.083 -2.301 29 HG2 ARG 5 HG2 ARG 5 0.923 6.875 -3.007 30 HG3 ARG 5 HG1 ARG 5 0.462 6.659 -1.316 31 HD2 ARG 5 HD2 ARG 5 -0.774 8.495 -2.428 32 HD3 ARG 5 HD1 ARG 5 0.168 9.035 -1.041 33 HE ARG 5 HE ARG 5 1.579 9.280 -3.520 34 HH11 ARG 5 HH11 ARG 5 -0.803 10.843 -1.453 35 HH12 ARG 5 HH12 ARG 5 -0.421 12.434 -2.029 36 HH21 ARG 5 HH21 ARG 5 2.069 11.391 -4.269 37 HH22 ARG 5 HH22 ARG 5 1.220 12.753 -3.617 38 H ALA 6 HN ALA 6 4.580 6.619 -3.487 39 HA ALA 6 HA ALA 6 3.059 5.349 -5.476 40 HB1 ALA 6 HB1 ALA 6 4.998 5.634 -6.918 41 HB2 ALA 6 HB2 ALA 6 6.010 5.967 -5.513 42 HB3 ALA 6 HB3 ALA 6 4.719 7.085 -5.954 43 H GLN 7 HN GLN 7 5.855 4.203 -3.627 44 HA GLN 7 HA GLN 7 6.030 1.729 -5.017 45 HB2 GLN 7 HB2 GLN 7 7.166 2.648 -2.386 46 HB3 GLN 7 HB1 GLN 7 7.491 1.063 -3.073 47 HG2 GLN 7 HG2 GLN 7 8.119 3.683 -4.416 48 HG3 GLN 7 HG1 GLN 7 9.276 2.698 -3.522 49 HE21 GLN 7 HE21 GLN 7 9.218 3.516 -6.342 50 HE22 GLN 7 HE22 GLN 7 9.303 2.054 -7.258 51 H LEU 8 HN LEU 8 4.580 2.662 -1.923 52 HA LEU 8 HA LEU 8 3.767 0.027 -1.272 53 HB2 LEU 8 HB2 LEU 8 2.980 2.709 -0.197 54 HB3 LEU 8 HB1 LEU 8 2.337 1.204 0.436 55 HG LEU 8 HG LEU 8 5.284 1.843 0.343 56 HD11 LEU 8 HD11 LEU 8 4.275 3.428 1.788 57 HD12 LEU 8 HD12 LEU 8 5.047 2.194 2.785 58 HD13 LEU 8 HD13 LEU 8 3.295 2.187 2.562 59 HD21 LEU 8 HD21 LEU 8 4.800 -0.529 0.414 60 HD22 LEU 8 HD22 LEU 8 3.697 -0.281 1.768 61 HD23 LEU 8 HD23 LEU 8 5.423 0.005 1.976 62 H LEU 9 HN LEU 9 2.146 2.695 -2.949 63 HA LEU 9 HA LEU 9 -0.415 1.542 -2.913 64 HB2 LEU 9 HB2 LEU 9 0.023 3.914 -3.264 65 HB3 LEU 9 HB1 LEU 9 0.791 3.539 -4.796 66 HG LEU 9 HG LEU 9 -1.335 2.525 -5.487 67 HD11 LEU 9 HD11 LEU 9 -2.401 2.205 -3.349 68 HD12 LEU 9 HD12 LEU 9 -3.391 3.277 -4.339 69 HD13 LEU 9 HD13 LEU 9 -2.386 3.944 -3.052 70 HD21 LEU 9 HD21 LEU 9 -0.628 4.674 -6.298 71 HD22 LEU 9 HD22 LEU 9 -1.298 5.455 -4.865 72 HD23 LEU 9 HD23 LEU 9 -2.373 4.689 -6.037 73 H THR 10 HN THR 10 2.227 1.524 -5.299 74 HA THR 10 HA THR 10 0.848 -0.005 -7.223 75 HB THR 10 HB THR 10 3.177 -0.635 -8.041 76 HG1 THR 10 HG1 THR 10 4.100 1.394 -6.303 77 HG21 THR 10 HG21 THR 10 3.648 1.634 -8.869 78 HG22 THR 10 HG22 THR 10 2.511 2.291 -7.692 79 HG23 THR 10 HG23 THR 10 1.934 1.238 -8.984 80 H ALA 11 HN ALA 11 2.590 -0.835 -4.344 81 HA ALA 11 HA ALA 11 2.976 -3.580 -4.757 82 HB1 ALA 11 HB1 ALA 11 3.989 -2.215 -2.947 83 HB2 ALA 11 HB2 ALA 11 3.297 -3.745 -2.420 84 HB3 ALA 11 HB3 ALA 11 2.425 -2.236 -2.128 85 H ALA 12 HN ALA 12 0.197 -1.745 -3.620 86 HA ALA 12 HA ALA 12 -1.435 -3.872 -2.762 87 HB1 ALA 12 HB1 ALA 12 -3.283 -2.321 -3.092 88 HB2 ALA 12 HB2 ALA 12 -2.235 -1.253 -4.026 89 HB3 ALA 12 HB3 ALA 12 -1.921 -1.520 -2.311 90 H GLU 13 HN GLU 13 -1.089 -2.295 -5.938 91 HA GLU 13 HA GLU 13 -2.921 -4.015 -7.270 92 HB2 GLU 13 HB2 GLU 13 -0.964 -1.949 -8.114 93 HB3 GLU 13 HB1 GLU 13 -1.437 -3.136 -9.319 94 HG2 GLU 13 HG2 GLU 13 -2.852 -1.262 -9.578 95 HG3 GLU 13 HG1 GLU 13 -3.814 -2.549 -8.862 96 H LYS 14 HN LYS 14 0.544 -4.052 -6.780 97 HA LYS 14 HA LYS 14 1.182 -6.129 -8.586 98 HB2 LYS 14 HB2 LYS 14 2.834 -4.573 -7.603 99 HB3 LYS 14 HB1 LYS 14 2.591 -5.322 -6.034 100 HG2 LYS 14 HG2 LYS 14 3.574 -7.356 -6.759 101 HG3 LYS 14 HG1 LYS 14 3.589 -6.825 -8.441 102 HD2 LYS 14 HD2 LYS 14 5.121 -4.972 -7.762 103 HD3 LYS 14 HD1 LYS 14 5.193 -5.691 -6.153 104 HE2 LYS 14 HE2 LYS 14 5.969 -7.100 -8.700 105 HE3 LYS 14 HE1 LYS 14 7.107 -6.298 -7.620 106 HZ1 LYS 14 HZ1 LYS 14 6.429 -7.826 -5.858 107 HZ2 LYS 14 HZ2 LYS 14 7.024 -8.664 -7.197 108 HZ3 LYS 14 HZ3 LYS 14 5.367 -8.598 -6.920 109 H ALA 15 HN ALA 15 0.372 -6.182 -5.126 110 HA ALA 15 HA ALA 15 0.693 -8.956 -4.770 111 HB1 ALA 15 HB1 ALA 15 0.476 -7.405 -2.903 112 HB2 ALA 15 HB2 ALA 15 -0.730 -8.688 -2.798 113 HB3 ALA 15 HB3 ALA 15 -1.196 -7.079 -3.353 114 H ASP 16 HN ASP 16 -1.963 -7.014 -5.961 115 HA ASP 16 HA ASP 16 -3.900 -9.067 -6.139 116 HB2 ASP 16 HB2 ASP 16 -4.553 -6.744 -6.324 117 HB3 ASP 16 HB1 ASP 16 -3.532 -6.528 -7.736 118 H GLU 17 HN GLU 17 -1.518 -7.796 -8.387 119 HA GLU 17 HA GLU 17 -2.087 -9.454 -10.589 120 HB2 GLU 17 HB2 GLU 17 0.497 -8.145 -9.736 121 HB3 GLU 17 HB1 GLU 17 0.257 -8.892 -11.302 122 HG2 GLU 17 HG2 GLU 17 -1.549 -7.299 -11.760 123 HG3 GLU 17 HG1 GLU 17 -1.250 -6.538 -10.200 124 H LEU 18 HN LEU 18 -0.137 -9.941 -7.736 125 HA LEU 18 HA LEU 18 1.019 -12.412 -8.660 126 HB2 LEU 18 HB2 LEU 18 0.969 -11.191 -5.915 127 HB3 LEU 18 HB1 LEU 18 1.958 -12.544 -6.415 128 HG LEU 18 HG LEU 18 2.188 -9.691 -7.347 129 HD11 LEU 18 HD11 LEU 18 3.083 -10.102 -5.149 130 HD12 LEU 18 HD12 LEU 18 4.389 -9.837 -6.307 131 HD13 LEU 18 HD13 LEU 18 4.004 -11.471 -5.766 132 HD21 LEU 18 HD21 LEU 18 3.776 -12.102 -8.224 133 HD22 LEU 18 HD22 LEU 18 4.101 -10.427 -8.669 134 HD23 LEU 18 HD23 LEU 18 2.619 -11.211 -9.212 135 H GLY 19 HN GLY 19 -1.934 -11.487 -7.307 136 HA2 GLY 19 HA2 GLY 19 -3.760 -12.746 -6.705 137 HA3 GLY 19 HA1 GLY 19 -2.831 -14.192 -7.064 138 H CYS 20 HN CYS 20 -1.943 -11.649 -4.823 139 HA CYS 20 HA CYS 20 -2.114 -13.604 -2.631 140 HB2 CYS 20 HB2 CYS 20 -0.301 -11.197 -2.895 141 HB3 CYS 20 HB1 CYS 20 -0.298 -12.347 -1.564 142 HG CYS 20 HG CYS 20 0.329 -14.502 -3.425 143 HA PRO 21 HA PRO 21 -5.405 -10.547 -1.692 144 HB2 PRO 21 HB2 PRO 21 -6.296 -12.735 0.083 145 HB3 PRO 21 HB1 PRO 21 -7.192 -11.873 -1.171 146 HG2 PRO 21 HG2 PRO 21 -6.402 -14.396 -1.547 147 HG3 PRO 21 HG1 PRO 21 -6.369 -13.217 -2.871 148 HD2 PRO 21 HD2 PRO 21 -4.113 -14.199 -1.159 149 HD3 PRO 21 HD1 PRO 21 -4.166 -13.949 -2.918 150 H GLU 22 HN GLU 22 -3.745 -12.616 0.683 151 HA GLU 22 HA GLU 22 -4.376 -11.008 2.926 152 HB2 GLU 22 HB2 GLU 22 -2.224 -13.079 2.500 153 HB3 GLU 22 HB1 GLU 22 -2.509 -12.284 4.040 154 HG2 GLU 22 HG2 GLU 22 -4.723 -13.204 4.167 155 HG3 GLU 22 HG1 GLU 22 -4.569 -13.888 2.551 156 H GLU 23 HN GLU 23 -1.513 -11.168 0.842 157 HA GLU 23 HA GLU 23 -0.086 -9.172 2.271 158 HB2 GLU 23 HB2 GLU 23 0.206 -10.302 -0.497 159 HB3 GLU 23 HB1 GLU 23 1.212 -8.975 0.063 160 HG2 GLU 23 HG2 GLU 23 1.982 -10.393 1.928 161 HG3 GLU 23 HG1 GLU 23 1.037 -11.726 1.264 162 H ARG 24 HN ARG 24 -2.319 -9.099 -0.437 163 HA ARG 24 HA ARG 24 -1.898 -6.459 -1.244 164 HB2 ARG 24 HB2 ARG 24 -3.194 -8.144 -2.519 165 HB3 ARG 24 HB1 ARG 24 -4.488 -8.002 -1.338 166 HG2 ARG 24 HG2 ARG 24 -4.736 -5.633 -1.918 167 HG3 ARG 24 HG1 ARG 24 -3.469 -5.818 -3.134 168 HD2 ARG 24 HD2 ARG 24 -4.843 -7.532 -4.249 169 HD3 ARG 24 HD1 ARG 24 -6.117 -7.246 -3.065 170 HE ARG 24 HE ARG 24 -5.259 -4.881 -4.457 171 HH11 ARG 24 HH11 ARG 24 -7.441 -7.620 -4.503 172 HH12 ARG 24 HH12 ARG 24 -8.571 -6.876 -5.575 173 HH21 ARG 24 HH21 ARG 24 -6.746 -3.881 -5.880 174 HH22 ARG 24 HH22 ARG 24 -8.180 -4.726 -6.350 175 H ALA 25 HN ALA 25 -4.081 -7.804 1.188 176 HA ALA 25 HA ALA 25 -5.483 -5.470 1.817 177 HB1 ALA 25 HB1 ALA 25 -4.740 -7.767 3.629 178 HB2 ALA 25 HB2 ALA 25 -6.165 -7.681 2.592 179 HB3 ALA 25 HB3 ALA 25 -5.991 -6.568 3.949 180 H GLN 26 HN GLN 26 -2.461 -6.755 3.103 181 HA GLN 26 HA GLN 26 -2.096 -4.708 5.049 182 HB2 GLN 26 HB2 GLN 26 -0.110 -6.626 3.824 183 HB3 GLN 26 HB1 GLN 26 0.184 -5.631 5.244 184 HG2 GLN 26 HG2 GLN 26 -1.496 -6.801 6.487 185 HG3 GLN 26 HG1 GLN 26 -1.992 -7.698 5.054 186 HE21 GLN 26 HE21 GLN 26 -1.607 -9.665 6.031 187 HE22 GLN 26 HE22 GLN 26 -0.011 -10.259 6.318 188 H LEU 27 HN LEU 27 -0.922 -5.225 1.763 189 HA LEU 27 HA LEU 27 0.811 -3.002 1.700 190 HB2 LEU 27 HB2 LEU 27 -0.502 -4.613 -0.450 191 HB3 LEU 27 HB1 LEU 27 0.605 -3.295 -0.793 192 HG LEU 27 HG LEU 27 1.373 -5.639 0.936 193 HD11 LEU 27 HD11 LEU 27 2.524 -6.506 -1.039 194 HD12 LEU 27 HD12 LEU 27 1.738 -5.256 -2.011 195 HD13 LEU 27 HD13 LEU 27 0.768 -6.493 -1.208 196 HD21 LEU 27 HD21 LEU 27 2.987 -3.585 -0.565 197 HD22 LEU 27 HD22 LEU 27 3.640 -4.913 0.395 198 HD23 LEU 27 HD23 LEU 27 2.732 -3.620 1.182 199 H LEU 28 HN LEU 28 -2.599 -3.412 1.002 200 HA LEU 28 HA LEU 28 -3.075 -0.889 -0.151 201 HB2 LEU 28 HB2 LEU 28 -4.771 -2.904 1.240 202 HB3 LEU 28 HB1 LEU 28 -5.423 -1.322 0.867 203 HG LEU 28 HG LEU 28 -4.178 -3.034 -1.255 204 HD11 LEU 28 HD11 LEU 28 -7.058 -2.946 -0.404 205 HD12 LEU 28 HD12 LEU 28 -5.953 -4.310 -0.210 206 HD13 LEU 28 HD13 LEU 28 -6.415 -3.772 -1.826 207 HD21 LEU 28 HD21 LEU 28 -5.607 -1.648 -2.701 208 HD22 LEU 28 HD22 LEU 28 -4.453 -0.683 -1.784 209 HD23 LEU 28 HD23 LEU 28 -6.143 -0.747 -1.284 210 H THR 29 HN THR 29 -3.000 -2.021 3.172 211 HA THR 29 HA THR 29 -3.836 0.379 4.401 212 HB THR 29 HB THR 29 -2.009 -1.773 5.507 213 HG1 THR 29 HG1 THR 29 -4.695 -1.725 4.911 214 HG21 THR 29 HG21 THR 29 -2.067 0.293 6.855 215 HG22 THR 29 HG22 THR 29 -2.841 -1.054 7.689 216 HG23 THR 29 HG23 THR 29 -3.826 0.189 6.918 217 H ALA 30 HN ALA 30 -0.702 -0.914 3.436 218 HA ALA 30 HA ALA 30 0.944 1.108 4.507 219 HB1 ALA 30 HB1 ALA 30 1.526 -0.492 2.039 220 HB2 ALA 30 HB2 ALA 30 1.631 -1.157 3.667 221 HB3 ALA 30 HB3 ALA 30 2.661 0.197 3.205 222 H ALA 31 HN ALA 31 -0.694 0.754 1.413 223 HA ALA 31 HA ALA 31 0.349 2.958 0.029 224 HB1 ALA 31 HB1 ALA 31 -1.636 2.803 -1.342 225 HB2 ALA 31 HB2 ALA 31 -2.435 1.819 -0.117 226 HB3 ALA 31 HB3 ALA 31 -1.027 1.189 -0.973 227 H GLU 32 HN GLU 32 -2.411 2.674 2.215 228 HA GLU 32 HA GLU 32 -3.232 5.388 1.981 229 HB2 GLU 32 HB2 GLU 32 -4.800 3.645 2.607 230 HB3 GLU 32 HB1 GLU 32 -3.866 3.287 4.051 231 HG2 GLU 32 HG2 GLU 32 -4.428 5.390 5.019 232 HG3 GLU 32 HG1 GLU 32 -5.191 5.930 3.522 233 H LYS 33 HN LYS 33 -1.240 3.605 4.281 234 HA LYS 33 HA LYS 33 -0.925 5.599 6.218 235 HB2 LYS 33 HB2 LYS 33 -0.244 3.299 6.605 236 HB3 LYS 33 HB1 LYS 33 0.993 3.425 5.363 237 HG2 LYS 33 HG2 LYS 33 2.158 5.115 6.710 238 HG3 LYS 33 HG1 LYS 33 0.929 4.948 7.962 239 HD2 LYS 33 HD2 LYS 33 2.747 2.750 6.982 240 HD3 LYS 33 HD1 LYS 33 2.954 3.660 8.477 241 HE2 LYS 33 HE2 LYS 33 0.773 2.834 9.259 242 HE3 LYS 33 HE1 LYS 33 0.610 1.893 7.778 243 HZ1 LYS 33 HZ1 LYS 33 2.741 1.553 9.814 244 HZ2 LYS 33 HZ2 LYS 33 2.571 0.642 8.396 245 HZ3 LYS 33 HZ3 LYS 33 1.400 0.546 9.605 246 H ALA 34 HN ALA 34 1.097 4.826 3.407 247 HA ALA 34 HA ALA 34 3.000 6.843 3.802 248 HB1 ALA 34 HB1 ALA 34 2.112 5.539 1.245 249 HB2 ALA 34 HB2 ALA 34 3.370 4.964 2.339 250 HB3 ALA 34 HB3 ALA 34 3.591 6.477 1.462 251 H ASP 35 HN ASP 35 -0.107 6.862 2.159 252 HA ASP 35 HA ASP 35 0.185 9.412 0.952 253 HB2 ASP 35 HB2 ASP 35 -1.506 7.797 0.189 254 HB3 ASP 35 HB1 ASP 35 -2.347 7.949 1.729 255 H GLU 36 HN GLU 36 -1.122 8.320 4.041 256 HA GLU 36 HA GLU 36 -2.046 10.821 4.940 257 HB2 GLU 36 HB2 GLU 36 -2.553 8.506 5.876 258 HB3 GLU 36 HB1 GLU 36 -0.987 8.591 6.669 259 HG2 GLU 36 HG2 GLU 36 -1.720 10.633 7.828 260 HG3 GLU 36 HG1 GLU 36 -3.298 10.449 7.059 261 H LEU 37 HN LEU 37 1.062 9.234 4.957 262 HA LEU 37 HA LEU 37 2.356 11.103 6.698 263 HB2 LEU 37 HB2 LEU 37 3.104 8.741 5.119 264 HB3 LEU 37 HB1 LEU 37 4.371 9.940 5.258 265 HG LEU 37 HG LEU 37 4.544 8.169 6.955 266 HD11 LEU 37 HD11 LEU 37 3.890 10.872 8.103 267 HD12 LEU 37 HD12 LEU 37 5.425 10.406 7.375 268 HD13 LEU 37 HD13 LEU 37 4.881 9.623 8.861 269 HD21 LEU 37 HD21 LEU 37 2.930 8.069 8.792 270 HD22 LEU 37 HD22 LEU 37 2.167 7.685 7.249 271 HD23 LEU 37 HD23 LEU 37 1.926 9.272 7.981 272 H GLY 38 HN GLY 38 1.408 11.154 3.450 273 HA2 GLY 38 HA2 GLY 38 1.554 12.875 1.920 274 HA3 GLY 38 HA1 GLY 38 2.544 13.758 3.070 Start of MODEL 3 1 H1 SER 1 HN SER 1 2.983 10.570 2.312 2 HA SER 1 HA SER 1 5.292 12.043 1.259 3 HB2 SER 1 HB2 SER 1 5.581 10.589 3.269 4 HB3 SER 1 HB1 SER 1 5.141 9.198 2.284 5 HG SER 1 HG SER 1 7.406 9.476 2.482 6 HA PRO 2 HA PRO 2 3.670 10.503 -2.707 7 HB2 PRO 2 HB2 PRO 2 6.014 12.013 -3.710 8 HB3 PRO 2 HB1 PRO 2 4.315 12.127 -4.180 9 HG2 PRO 2 HG2 PRO 2 5.440 14.026 -2.698 10 HG3 PRO 2 HG1 PRO 2 3.774 13.499 -2.391 11 HD2 PRO 2 HD2 PRO 2 6.284 12.803 -0.914 12 HD3 PRO 2 HD1 PRO 2 4.671 13.190 -0.280 13 H GLU 3 HN GLU 3 7.191 10.531 -2.003 14 HA GLU 3 HA GLU 3 7.847 8.655 -4.023 15 HB2 GLU 3 HB2 GLU 3 9.365 10.273 -2.633 16 HB3 GLU 3 HB1 GLU 3 9.447 8.942 -1.495 17 HG2 GLU 3 HG2 GLU 3 10.268 8.776 -4.392 18 HG3 GLU 3 HG1 GLU 3 11.369 9.060 -3.051 19 H GLU 4 HN GLU 4 7.232 8.307 -0.558 20 HA GLU 4 HA GLU 4 7.613 5.498 -0.501 21 HB2 GLU 4 HB2 GLU 4 6.157 7.354 1.376 22 HB3 GLU 4 HB1 GLU 4 6.417 5.645 1.697 23 HG2 GLU 4 HG2 GLU 4 8.811 5.976 1.675 24 HG3 GLU 4 HG1 GLU 4 8.591 7.677 1.268 25 H ARG 5 HN ARG 5 4.805 7.585 -0.931 26 HA ARG 5 HA ARG 5 2.831 5.628 -0.824 27 HB2 ARG 5 HB2 ARG 5 2.405 8.047 -0.739 28 HB3 ARG 5 HB1 ARG 5 2.892 8.184 -2.422 29 HG2 ARG 5 HG2 ARG 5 1.026 6.715 -3.053 30 HG3 ARG 5 HG1 ARG 5 0.553 6.667 -1.352 31 HD2 ARG 5 HD2 ARG 5 0.123 9.018 -1.333 32 HD3 ARG 5 HD1 ARG 5 0.815 9.202 -2.942 33 HE ARG 5 HE ARG 5 -1.490 7.452 -2.758 34 HH11 ARG 5 HH11 ARG 5 -0.305 10.687 -3.353 35 HH12 ARG 5 HH12 ARG 5 -1.666 11.165 -4.304 36 HH21 ARG 5 HH21 ARG 5 -3.301 8.061 -4.010 37 HH22 ARG 5 HH22 ARG 5 -3.397 9.654 -4.679 38 H ALA 6 HN ALA 6 4.684 6.924 -3.555 39 HA ALA 6 HA ALA 6 3.380 5.465 -5.555 40 HB1 ALA 6 HB1 ALA 6 5.349 5.927 -6.932 41 HB2 ALA 6 HB2 ALA 6 6.231 6.437 -5.493 42 HB3 ALA 6 HB3 ALA 6 4.831 7.359 -6.042 43 H GLN 7 HN GLN 7 6.219 4.653 -3.585 44 HA GLN 7 HA GLN 7 6.811 2.226 -4.896 45 HB2 GLN 7 HB2 GLN 7 8.472 3.324 -3.567 46 HB3 GLN 7 HB1 GLN 7 7.438 3.288 -2.149 47 HG2 GLN 7 HG2 GLN 7 7.575 0.787 -2.244 48 HG3 GLN 7 HG1 GLN 7 8.807 0.998 -3.488 49 HE21 GLN 7 HE21 GLN 7 10.334 -0.020 -2.148 50 HE22 GLN 7 HE22 GLN 7 11.042 0.808 -0.806 51 H LEU 8 HN LEU 8 5.007 2.967 -1.932 52 HA LEU 8 HA LEU 8 4.448 0.249 -1.353 53 HB2 LEU 8 HB2 LEU 8 3.372 2.819 -0.261 54 HB3 LEU 8 HB1 LEU 8 2.837 1.249 0.312 55 HG LEU 8 HG LEU 8 5.724 2.128 0.359 56 HD11 LEU 8 HD11 LEU 8 3.645 2.255 2.521 57 HD12 LEU 8 HD12 LEU 8 4.486 3.610 1.765 58 HD13 LEU 8 HD13 LEU 8 5.378 2.468 2.768 59 HD21 LEU 8 HD21 LEU 8 5.937 0.286 1.974 60 HD22 LEU 8 HD22 LEU 8 5.411 -0.279 0.388 61 HD23 LEU 8 HD23 LEU 8 4.244 -0.123 1.705 62 H LEU 9 HN LEU 9 2.634 2.781 -3.027 63 HA LEU 9 HA LEU 9 0.194 1.397 -3.056 64 HB2 LEU 9 HB2 LEU 9 0.413 3.808 -3.334 65 HB3 LEU 9 HB1 LEU 9 1.218 3.549 -4.872 66 HG LEU 9 HG LEU 9 -0.795 2.346 -5.593 67 HD11 LEU 9 HD11 LEU 9 -2.917 2.875 -4.435 68 HD12 LEU 9 HD12 LEU 9 -1.975 3.588 -3.124 69 HD13 LEU 9 HD13 LEU 9 -1.829 1.868 -3.481 70 HD21 LEU 9 HD21 LEU 9 -2.040 4.411 -6.102 71 HD22 LEU 9 HD22 LEU 9 -0.302 4.570 -6.361 72 HD23 LEU 9 HD23 LEU 9 -1.046 5.255 -4.915 73 H THR 10 HN THR 10 2.850 1.679 -5.407 74 HA THR 10 HA THR 10 1.568 0.127 -7.391 75 HB THR 10 HB THR 10 3.888 -0.187 -8.323 76 HG1 THR 10 HG1 THR 10 4.802 1.721 -6.467 77 HG21 THR 10 HG21 THR 10 3.025 2.625 -7.634 78 HG22 THR 10 HG22 THR 10 2.510 1.683 -9.034 79 HG23 THR 10 HG23 THR 10 4.189 2.202 -8.889 80 H ALA 11 HN ALA 11 3.582 -0.652 -4.644 81 HA ALA 11 HA ALA 11 3.995 -3.385 -5.183 82 HB1 ALA 11 HB1 ALA 11 4.500 -3.582 -2.816 83 HB2 ALA 11 HB2 ALA 11 3.755 -2.013 -2.509 84 HB3 ALA 11 HB3 ALA 11 5.228 -2.115 -3.471 85 H ALA 12 HN ALA 12 1.443 -1.630 -3.508 86 HA ALA 12 HA ALA 12 -0.118 -3.798 -2.609 87 HB1 ALA 12 HB1 ALA 12 -0.414 -1.522 -1.828 88 HB2 ALA 12 HB2 ALA 12 -1.918 -2.155 -2.495 89 HB3 ALA 12 HB3 ALA 12 -0.946 -1.025 -3.433 90 H GLU 13 HN GLU 13 -0.128 -1.995 -5.649 91 HA GLU 13 HA GLU 13 -2.341 -3.297 -6.822 92 HB2 GLU 13 HB2 GLU 13 0.066 -2.071 -8.179 93 HB3 GLU 13 HB1 GLU 13 -1.469 -2.447 -8.949 94 HG2 GLU 13 HG2 GLU 13 -2.576 -0.807 -7.504 95 HG3 GLU 13 HG1 GLU 13 -1.019 -0.423 -6.769 96 H LYS 14 HN LYS 14 1.102 -3.992 -6.776 97 HA LYS 14 HA LYS 14 1.069 -6.088 -8.673 98 HB2 LYS 14 HB2 LYS 14 3.069 -4.761 -7.840 99 HB3 LYS 14 HB1 LYS 14 3.036 -5.782 -6.410 100 HG2 LYS 14 HG2 LYS 14 3.436 -7.743 -7.750 101 HG3 LYS 14 HG1 LYS 14 3.340 -6.784 -9.229 102 HD2 LYS 14 HD2 LYS 14 5.275 -5.452 -8.421 103 HD3 LYS 14 HD1 LYS 14 5.408 -6.551 -7.047 104 HE2 LYS 14 HE2 LYS 14 5.637 -7.299 -9.956 105 HE3 LYS 14 HE1 LYS 14 6.976 -7.151 -8.820 106 HZ1 LYS 14 HZ1 LYS 14 5.951 -8.956 -7.514 107 HZ2 LYS 14 HZ2 LYS 14 6.387 -9.441 -9.068 108 HZ3 LYS 14 HZ3 LYS 14 4.768 -9.130 -8.715 109 H ALA 15 HN ALA 15 0.620 -6.010 -5.174 110 HA ALA 15 HA ALA 15 0.625 -8.809 -4.760 111 HB1 ALA 15 HB1 ALA 15 -0.632 -8.280 -2.680 112 HB2 ALA 15 HB2 ALA 15 -0.734 -6.601 -3.216 113 HB3 ALA 15 HB3 ALA 15 0.836 -7.331 -2.885 114 H ASP 16 HN ASP 16 -1.845 -6.531 -5.749 115 HA ASP 16 HA ASP 16 -4.055 -8.308 -5.641 116 HB2 ASP 16 HB2 ASP 16 -4.198 -5.797 -5.858 117 HB3 ASP 16 HB1 ASP 16 -3.665 -5.968 -7.525 118 H GLU 17 HN GLU 17 -1.709 -7.434 -8.090 119 HA GLU 17 HA GLU 17 -2.696 -8.976 -10.224 120 HB2 GLU 17 HB2 GLU 17 0.092 -8.040 -9.559 121 HB3 GLU 17 HB1 GLU 17 -0.328 -8.814 -11.074 122 HG2 GLU 17 HG2 GLU 17 -1.894 -6.994 -11.558 123 HG3 GLU 17 HG1 GLU 17 -1.441 -6.217 -10.041 124 H LEU 18 HN LEU 18 -0.773 -9.798 -7.437 125 HA LEU 18 HA LEU 18 0.085 -12.348 -8.464 126 HB2 LEU 18 HB2 LEU 18 0.229 -11.142 -5.717 127 HB3 LEU 18 HB1 LEU 18 0.923 -12.690 -6.150 128 HG LEU 18 HG LEU 18 1.737 -10.001 -7.244 129 HD11 LEU 18 HD11 LEU 18 3.834 -10.461 -6.096 130 HD12 LEU 18 HD12 LEU 18 3.149 -11.960 -5.464 131 HD13 LEU 18 HD13 LEU 18 2.473 -10.405 -4.974 132 HD21 LEU 18 HD21 LEU 18 1.930 -11.689 -8.976 133 HD22 LEU 18 HD22 LEU 18 2.788 -12.758 -7.867 134 HD23 LEU 18 HD23 LEU 18 3.531 -11.244 -8.383 135 H GLY 19 HN GLY 19 -2.694 -11.136 -6.930 136 HA2 GLY 19 HA2 GLY 19 -4.690 -12.213 -6.504 137 HA3 GLY 19 HA1 GLY 19 -3.939 -13.718 -7.009 138 H CYS 20 HN CYS 20 -2.712 -11.638 -4.459 139 HA CYS 20 HA CYS 20 -3.473 -13.715 -2.513 140 HB2 CYS 20 HB2 CYS 20 -1.444 -12.884 -1.215 141 HB3 CYS 20 HB1 CYS 20 -1.108 -13.771 -2.696 142 HG CYS 20 HG CYS 20 -1.060 -10.366 -2.432 143 HA PRO 21 HA PRO 21 -6.057 -10.084 -1.466 144 HB2 PRO 21 HB2 PRO 21 -7.207 -12.153 0.330 145 HB3 PRO 21 HB1 PRO 21 -8.022 -11.035 -0.769 146 HG2 PRO 21 HG2 PRO 21 -7.779 -13.596 -1.405 147 HG3 PRO 21 HG1 PRO 21 -7.572 -12.338 -2.637 148 HD2 PRO 21 HD2 PRO 21 -5.500 -13.958 -1.216 149 HD3 PRO 21 HD1 PRO 21 -5.566 -13.449 -2.914 150 H GLU 22 HN GLU 22 -4.772 -12.335 1.038 151 HA GLU 22 HA GLU 22 -5.119 -10.399 3.103 152 HB2 GLU 22 HB2 GLU 22 -5.063 -12.778 3.632 153 HB3 GLU 22 HB1 GLU 22 -3.392 -12.877 3.094 154 HG2 GLU 22 HG2 GLU 22 -2.728 -11.342 4.878 155 HG3 GLU 22 HG1 GLU 22 -4.402 -11.252 5.419 156 H GLU 23 HN GLU 23 -2.312 -11.475 1.239 157 HA GLU 23 HA GLU 23 -0.500 -9.724 2.529 158 HB2 GLU 23 HB2 GLU 23 0.221 -11.696 1.209 159 HB3 GLU 23 HB1 GLU 23 -0.330 -10.897 -0.257 160 HG2 GLU 23 HG2 GLU 23 1.342 -9.218 -0.067 161 HG3 GLU 23 HG1 GLU 23 1.783 -9.757 1.551 162 H ARG 24 HN ARG 24 -2.657 -9.452 -0.190 163 HA ARG 24 HA ARG 24 -1.789 -6.989 -1.217 164 HB2 ARG 24 HB2 ARG 24 -3.418 -8.608 -2.276 165 HB3 ARG 24 HB1 ARG 24 -4.631 -8.005 -1.159 166 HG2 ARG 24 HG2 ARG 24 -4.133 -5.704 -2.114 167 HG3 ARG 24 HG1 ARG 24 -3.268 -6.554 -3.396 168 HD2 ARG 24 HD2 ARG 24 -5.468 -6.179 -4.195 169 HD3 ARG 24 HD1 ARG 24 -5.363 -7.889 -3.780 170 HE ARG 24 HE ARG 24 -6.398 -6.984 -1.547 171 HH11 ARG 24 HH11 ARG 24 -7.241 -6.152 -4.853 172 HH12 ARG 24 HH12 ARG 24 -8.847 -5.654 -4.442 173 HH21 ARG 24 HH21 ARG 24 -8.513 -6.312 -1.012 174 HH22 ARG 24 HH22 ARG 24 -9.579 -5.745 -2.251 175 H ALA 25 HN ALA 25 -4.184 -7.825 1.262 176 HA ALA 25 HA ALA 25 -5.140 -5.232 1.741 177 HB1 ALA 25 HB1 ALA 25 -4.994 -7.551 3.663 178 HB2 ALA 25 HB2 ALA 25 -6.292 -7.249 2.507 179 HB3 ALA 25 HB3 ALA 25 -6.014 -6.122 3.837 180 H GLN 26 HN GLN 26 -2.485 -7.025 3.253 181 HA GLN 26 HA GLN 26 -1.891 -5.042 5.206 182 HB2 GLN 26 HB2 GLN 26 0.102 -7.008 4.080 183 HB3 GLN 26 HB1 GLN 26 0.068 -6.302 5.688 184 HG2 GLN 26 HG2 GLN 26 -1.853 -8.332 4.574 185 HG3 GLN 26 HG1 GLN 26 -0.599 -8.615 5.777 186 HE21 GLN 26 HE21 GLN 26 -3.509 -8.981 5.855 187 HE22 GLN 26 HE22 GLN 26 -4.063 -8.080 7.223 188 H LEU 27 HN LEU 27 -0.670 -5.728 1.980 189 HA LEU 27 HA LEU 27 1.343 -3.743 2.019 190 HB2 LEU 27 HB2 LEU 27 1.359 -5.808 0.683 191 HB3 LEU 27 HB1 LEU 27 0.023 -5.193 -0.259 192 HG LEU 27 HG LEU 27 1.359 -3.618 -1.334 193 HD11 LEU 27 HD11 LEU 27 3.680 -3.149 -0.724 194 HD12 LEU 27 HD12 LEU 27 3.517 -4.195 0.692 195 HD13 LEU 27 HD13 LEU 27 2.568 -2.710 0.573 196 HD21 LEU 27 HD21 LEU 27 2.965 -6.114 -0.903 197 HD22 LEU 27 HD22 LEU 27 3.218 -4.962 -2.213 198 HD23 LEU 27 HD23 LEU 27 1.707 -5.862 -2.110 199 H LEU 28 HN LEU 28 -2.027 -3.861 0.954 200 HA LEU 28 HA LEU 28 -2.083 -1.328 -0.303 201 HB2 LEU 28 HB2 LEU 28 -4.146 -3.160 0.808 202 HB3 LEU 28 HB1 LEU 28 -4.595 -1.514 0.406 203 HG LEU 28 HG LEU 28 -3.231 -3.268 -1.606 204 HD11 LEU 28 HD11 LEU 28 -5.175 -4.451 -0.787 205 HD12 LEU 28 HD12 LEU 28 -5.382 -3.890 -2.446 206 HD13 LEU 28 HD13 LEU 28 -6.177 -3.035 -1.118 207 HD21 LEU 28 HD21 LEU 28 -4.299 -1.775 -3.183 208 HD22 LEU 28 HD22 LEU 28 -3.381 -0.830 -2.009 209 HD23 LEU 28 HD23 LEU 28 -5.133 -0.944 -1.873 210 H THR 29 HN THR 29 -2.459 -2.398 3.002 211 HA THR 29 HA THR 29 -3.340 0.038 4.094 212 HB THR 29 HB THR 29 -1.677 -2.136 5.399 213 HG1 THR 29 HG1 THR 29 -3.676 -2.925 4.638 214 HG21 THR 29 HG21 THR 29 -3.398 0.018 6.643 215 HG22 THR 29 HG22 THR 29 -1.637 -0.017 6.657 216 HG23 THR 29 HG23 THR 29 -2.550 -1.259 7.513 217 H ALA 30 HN ALA 30 -0.148 -1.263 3.366 218 HA ALA 30 HA ALA 30 1.385 0.839 4.465 219 HB1 ALA 30 HB1 ALA 30 2.228 -1.406 3.721 220 HB2 ALA 30 HB2 ALA 30 3.196 -0.023 3.232 221 HB3 ALA 30 HB3 ALA 30 2.130 -0.809 2.062 222 H ALA 31 HN ALA 31 -0.067 0.331 1.289 223 HA ALA 31 HA ALA 31 0.879 2.613 -0.056 224 HB1 ALA 31 HB1 ALA 31 -1.029 2.305 -1.521 225 HB2 ALA 31 HB2 ALA 31 -1.780 1.226 -0.346 226 HB3 ALA 31 HB3 ALA 31 -0.280 0.752 -1.144 227 H GLU 32 HN GLU 32 -1.986 2.089 1.954 228 HA GLU 32 HA GLU 32 -2.988 4.739 1.700 229 HB2 GLU 32 HB2 GLU 32 -3.596 2.637 3.781 230 HB3 GLU 32 HB1 GLU 32 -4.521 4.107 3.516 231 HG2 GLU 32 HG2 GLU 32 -5.063 3.336 1.251 232 HG3 GLU 32 HG1 GLU 32 -4.175 1.846 1.562 233 H LYS 33 HN LYS 33 -0.845 3.130 3.954 234 HA LYS 33 HA LYS 33 -0.864 5.066 5.993 235 HB2 LYS 33 HB2 LYS 33 0.064 2.788 6.253 236 HB3 LYS 33 HB1 LYS 33 1.386 3.215 5.178 237 HG2 LYS 33 HG2 LYS 33 2.239 4.803 6.761 238 HG3 LYS 33 HG1 LYS 33 0.831 4.581 7.803 239 HD2 LYS 33 HD2 LYS 33 1.462 2.227 8.127 240 HD3 LYS 33 HD1 LYS 33 2.886 2.480 7.119 241 HE2 LYS 33 HE2 LYS 33 2.313 4.002 9.656 242 HE3 LYS 33 HE1 LYS 33 3.321 2.559 9.579 243 HZ1 LYS 33 HZ1 LYS 33 4.634 4.585 9.521 244 HZ2 LYS 33 HZ2 LYS 33 3.850 5.093 8.116 245 HZ3 LYS 33 HZ3 LYS 33 4.817 3.709 8.094 246 H ALA 34 HN ALA 34 1.280 4.659 3.193 247 HA ALA 34 HA ALA 34 2.824 6.977 3.710 248 HB1 ALA 34 HB1 ALA 34 3.672 5.239 2.291 249 HB2 ALA 34 HB2 ALA 34 3.550 6.730 1.356 250 HB3 ALA 34 HB3 ALA 34 2.342 5.460 1.157 251 H ASP 35 HN ASP 35 -0.107 6.357 1.893 252 HA ASP 35 HA ASP 35 -0.409 8.858 0.645 253 HB2 ASP 35 HB2 ASP 35 -1.789 7.056 -0.090 254 HB3 ASP 35 HB1 ASP 35 -2.390 6.761 1.536 255 H GLU 36 HN GLU 36 -1.550 7.645 3.766 256 HA GLU 36 HA GLU 36 -2.876 9.964 4.607 257 HB2 GLU 36 HB2 GLU 36 -3.071 7.602 5.498 258 HB3 GLU 36 HB1 GLU 36 -1.544 7.872 6.324 259 HG2 GLU 36 HG2 GLU 36 -3.307 8.225 7.867 260 HG3 GLU 36 HG1 GLU 36 -2.561 9.775 7.460 261 H LEU 37 HN LEU 37 0.435 8.867 4.762 262 HA LEU 37 HA LEU 37 1.363 10.866 6.576 263 HB2 LEU 37 HB2 LEU 37 2.410 8.566 5.174 264 HB3 LEU 37 HB1 LEU 37 3.534 9.908 5.119 265 HG LEU 37 HG LEU 37 3.996 8.404 6.975 266 HD11 LEU 37 HD11 LEU 37 4.165 10.090 8.706 267 HD12 LEU 37 HD12 LEU 37 2.955 11.075 7.880 268 HD13 LEU 37 HD13 LEU 37 4.519 10.787 7.122 269 HD21 LEU 37 HD21 LEU 37 1.268 9.205 7.988 270 HD22 LEU 37 HD22 LEU 37 2.459 8.251 8.871 271 HD23 LEU 37 HD23 LEU 37 1.728 7.607 7.401 272 H GLY 38 HN GLY 38 0.597 10.873 3.278 273 HA2 GLY 38 HA2 GLY 38 0.793 12.501 1.673 274 HA3 GLY 38 HA1 GLY 38 1.375 13.575 2.935 Start of MODEL 4 1 H1 SER 1 HN SER 1 2.911 11.209 1.481 2 HA SER 1 HA SER 1 5.025 12.839 0.281 3 HB2 SER 1 HB2 SER 1 5.661 11.565 2.276 4 HB3 SER 1 HB1 SER 1 5.156 10.070 1.490 5 HG SER 1 HG SER 1 7.455 11.543 1.180 6 HA PRO 2 HA PRO 2 3.838 11.010 -3.654 7 HB2 PRO 2 HB2 PRO 2 6.360 12.289 -4.526 8 HB3 PRO 2 HB1 PRO 2 4.724 12.498 -5.157 9 HG2 PRO 2 HG2 PRO 2 5.911 14.409 -3.712 10 HG3 PRO 2 HG1 PRO 2 4.174 14.087 -3.577 11 HD2 PRO 2 HD2 PRO 2 6.395 13.307 -1.735 12 HD3 PRO 2 HD1 PRO 2 4.751 13.865 -1.357 13 H GLU 3 HN GLU 3 7.081 10.979 -2.273 14 HA GLU 3 HA GLU 3 8.203 8.970 -3.901 15 HB2 GLU 3 HB2 GLU 3 9.414 10.576 -2.371 16 HB3 GLU 3 HB1 GLU 3 8.908 9.565 -1.028 17 HG2 GLU 3 HG2 GLU 3 11.158 9.012 -1.617 18 HG3 GLU 3 HG1 GLU 3 10.108 7.667 -2.059 19 H GLU 4 HN GLU 4 6.594 8.859 -0.756 20 HA GLU 4 HA GLU 4 6.860 6.038 -0.475 21 HB2 GLU 4 HB2 GLU 4 4.905 7.874 0.920 22 HB3 GLU 4 HB1 GLU 4 5.389 6.268 1.439 23 HG2 GLU 4 HG2 GLU 4 7.124 8.723 1.338 24 HG3 GLU 4 HG1 GLU 4 6.483 7.940 2.779 25 H ARG 5 HN ARG 5 4.281 8.222 -1.551 26 HA ARG 5 HA ARG 5 2.263 6.322 -1.759 27 HB2 ARG 5 HB2 ARG 5 1.843 8.724 -1.788 28 HB3 ARG 5 HB1 ARG 5 2.660 8.859 -3.339 29 HG2 ARG 5 HG2 ARG 5 0.960 7.353 -4.317 30 HG3 ARG 5 HG1 ARG 5 0.140 7.365 -2.755 31 HD2 ARG 5 HD2 ARG 5 0.755 9.904 -4.225 32 HD3 ARG 5 HD1 ARG 5 -0.697 8.975 -4.579 33 HE ARG 5 HE ARG 5 -1.380 9.327 -2.280 34 HH11 ARG 5 HH11 ARG 5 1.192 11.412 -3.488 35 HH12 ARG 5 HH12 ARG 5 0.840 12.703 -2.397 36 HH21 ARG 5 HH21 ARG 5 -1.877 11.061 -0.848 37 HH22 ARG 5 HH22 ARG 5 -0.914 12.500 -0.883 38 H ALA 6 HN ALA 6 4.596 7.455 -4.177 39 HA ALA 6 HA ALA 6 3.477 6.078 -6.339 40 HB1 ALA 6 HB1 ALA 6 6.362 6.795 -5.889 41 HB2 ALA 6 HB2 ALA 6 5.129 7.855 -6.573 42 HB3 ALA 6 HB3 ALA 6 5.617 6.396 -7.435 43 H GLN 7 HN GLN 7 6.031 5.059 -4.072 44 HA GLN 7 HA GLN 7 6.415 2.549 -5.351 45 HB2 GLN 7 HB2 GLN 7 8.159 3.639 -4.008 46 HB3 GLN 7 HB1 GLN 7 7.177 3.414 -2.566 47 HG2 GLN 7 HG2 GLN 7 7.322 1.003 -2.831 48 HG3 GLN 7 HG1 GLN 7 8.272 1.226 -4.297 49 HE21 GLN 7 HE21 GLN 7 10.018 0.110 -3.469 50 HE22 GLN 7 HE22 GLN 7 11.038 0.766 -2.237 51 H LEU 8 HN LEU 8 4.646 3.565 -2.462 52 HA LEU 8 HA LEU 8 3.896 0.923 -1.761 53 HB2 LEU 8 HB2 LEU 8 2.895 3.589 -0.816 54 HB3 LEU 8 HB1 LEU 8 2.376 2.054 -0.140 55 HG LEU 8 HG LEU 8 5.223 3.070 -0.151 56 HD11 LEU 8 HD11 LEU 8 3.135 3.002 1.997 57 HD12 LEU 8 HD12 LEU 8 4.026 4.397 1.375 58 HD13 LEU 8 HD13 LEU 8 4.858 3.168 2.323 59 HD21 LEU 8 HD21 LEU 8 3.964 0.604 1.019 60 HD22 LEU 8 HD22 LEU 8 5.567 1.190 1.450 61 HD23 LEU 8 HD23 LEU 8 5.231 0.685 -0.207 62 H LEU 9 HN LEU 9 2.268 3.463 -3.638 63 HA LEU 9 HA LEU 9 -0.239 2.183 -3.660 64 HB2 LEU 9 HB2 LEU 9 0.109 4.568 -4.094 65 HB3 LEU 9 HB1 LEU 9 0.917 4.158 -5.596 66 HG LEU 9 HG LEU 9 -1.171 2.965 -6.213 67 HD11 LEU 9 HD11 LEU 9 -2.270 4.593 -3.935 68 HD12 LEU 9 HD12 LEU 9 -2.271 2.835 -4.086 69 HD13 LEU 9 HD13 LEU 9 -3.258 3.814 -5.169 70 HD21 LEU 9 HD21 LEU 9 -1.212 5.949 -5.917 71 HD22 LEU 9 HD22 LEU 9 -2.247 5.029 -7.012 72 HD23 LEU 9 HD23 LEU 9 -0.496 5.035 -7.243 73 H THR 10 HN THR 10 2.555 2.135 -5.858 74 HA THR 10 HA THR 10 1.294 0.540 -7.824 75 HB THR 10 HB THR 10 3.689 -0.028 -8.508 76 HG1 THR 10 HG1 THR 10 4.562 2.091 -6.909 77 HG21 THR 10 HG21 THR 10 2.897 2.879 -8.270 78 HG22 THR 10 HG22 THR 10 2.430 1.775 -9.564 79 HG23 THR 10 HG23 THR 10 4.120 2.240 -9.368 80 H ALA 11 HN ALA 11 3.058 -0.172 -4.892 81 HA ALA 11 HA ALA 11 3.315 -2.957 -5.209 82 HB1 ALA 11 HB1 ALA 11 4.472 -1.561 -3.495 83 HB2 ALA 11 HB2 ALA 11 3.740 -3.035 -2.875 84 HB3 ALA 11 HB3 ALA 11 2.945 -1.480 -2.613 85 H ALA 12 HN ALA 12 0.727 -0.916 -3.992 86 HA ALA 12 HA ALA 12 -1.015 -2.910 -3.038 87 HB1 ALA 12 HB1 ALA 12 -2.776 -1.208 -3.352 88 HB2 ALA 12 HB2 ALA 12 -1.626 -0.210 -4.240 89 HB3 ALA 12 HB3 ALA 12 -1.353 -0.566 -2.535 90 H GLU 13 HN GLU 13 -0.563 -1.486 -6.237 91 HA GLU 13 HA GLU 13 -2.672 -2.905 -7.515 92 HB2 GLU 13 HB2 GLU 13 -0.155 -1.752 -8.718 93 HB3 GLU 13 HB1 GLU 13 -1.606 -2.209 -9.594 94 HG2 GLU 13 HG2 GLU 13 -2.849 -0.467 -8.394 95 HG3 GLU 13 HG1 GLU 13 -1.356 0.008 -7.582 96 H LYS 14 HN LYS 14 0.786 -3.451 -7.123 97 HA LYS 14 HA LYS 14 1.003 -5.684 -8.816 98 HB2 LYS 14 HB2 LYS 14 2.930 -4.357 -8.025 99 HB3 LYS 14 HB1 LYS 14 2.676 -4.971 -6.401 100 HG2 LYS 14 HG2 LYS 14 4.497 -6.150 -7.466 101 HG3 LYS 14 HG1 LYS 14 3.144 -7.246 -7.186 102 HD2 LYS 14 HD2 LYS 14 4.089 -7.629 -9.394 103 HD3 LYS 14 HD1 LYS 14 2.461 -6.968 -9.542 104 HE2 LYS 14 HE2 LYS 14 3.410 -4.742 -9.941 105 HE3 LYS 14 HE1 LYS 14 5.034 -5.408 -9.796 106 HZ1 LYS 14 HZ1 LYS 14 4.311 -5.144 -12.109 107 HZ2 LYS 14 HZ2 LYS 14 3.043 -6.229 -11.840 108 HZ3 LYS 14 HZ3 LYS 14 4.640 -6.757 -11.733 109 H ALA 15 HN ALA 15 0.204 -5.375 -5.411 110 HA ALA 15 HA ALA 15 0.337 -8.086 -4.706 111 HB1 ALA 15 HB1 ALA 15 -0.946 -7.506 -2.799 112 HB2 ALA 15 HB2 ALA 15 -1.613 -6.087 -3.609 113 HB3 ALA 15 HB3 ALA 15 0.090 -6.124 -3.165 114 H ASP 16 HN ASP 16 -2.251 -6.163 -6.117 115 HA ASP 16 HA ASP 16 -4.207 -8.225 -6.068 116 HB2 ASP 16 HB2 ASP 16 -4.679 -5.769 -6.342 117 HB3 ASP 16 HB1 ASP 16 -4.066 -5.896 -7.987 118 H GLU 17 HN GLU 17 -1.835 -7.106 -8.389 119 HA GLU 17 HA GLU 17 -2.521 -8.810 -10.531 120 HB2 GLU 17 HB2 GLU 17 0.148 -7.599 -9.791 121 HB3 GLU 17 HB1 GLU 17 -0.216 -8.349 -11.335 122 HG2 GLU 17 HG2 GLU 17 -1.564 -5.899 -10.216 123 HG3 GLU 17 HG1 GLU 17 -0.300 -5.910 -11.444 124 H LEU 18 HN LEU 18 -0.842 -9.348 -7.575 125 HA LEU 18 HA LEU 18 0.393 -11.826 -8.379 126 HB2 LEU 18 HB2 LEU 18 0.068 -10.491 -5.709 127 HB3 LEU 18 HB1 LEU 18 0.923 -11.999 -5.944 128 HG LEU 18 HG LEU 18 1.685 -9.334 -7.130 129 HD11 LEU 18 HD11 LEU 18 3.606 -9.507 -5.630 130 HD12 LEU 18 HD12 LEU 18 2.915 -10.982 -4.948 131 HD13 LEU 18 HD13 LEU 18 2.076 -9.444 -4.752 132 HD21 LEU 18 HD21 LEU 18 3.737 -10.495 -7.839 133 HD22 LEU 18 HD22 LEU 18 2.300 -11.139 -8.629 134 HD23 LEU 18 HD23 LEU 18 3.045 -12.023 -7.297 135 H GLY 19 HN GLY 19 -2.662 -10.816 -7.296 136 HA2 GLY 19 HA2 GLY 19 -4.597 -12.006 -6.963 137 HA3 GLY 19 HA1 GLY 19 -3.714 -13.463 -7.386 138 H CYS 20 HN CYS 20 -2.460 -11.520 -4.843 139 HA CYS 20 HA CYS 20 -3.354 -13.557 -2.928 140 HB2 CYS 20 HB2 CYS 20 -0.918 -13.442 -3.256 141 HB3 CYS 20 HB1 CYS 20 -0.938 -11.744 -2.797 142 HG CYS 20 HG CYS 20 0.134 -13.134 -0.693 143 HA PRO 21 HA PRO 21 -5.851 -10.035 -1.551 144 HB2 PRO 21 HB2 PRO 21 -7.280 -11.497 0.286 145 HB3 PRO 21 HB1 PRO 21 -7.690 -11.379 -1.427 146 HG2 PRO 21 HG2 PRO 21 -6.235 -13.542 0.030 147 HG3 PRO 21 HG1 PRO 21 -7.449 -13.677 -1.254 148 HD2 PRO 21 HD2 PRO 21 -4.821 -13.982 -1.734 149 HD3 PRO 21 HD1 PRO 21 -5.913 -13.251 -2.925 150 H GLU 22 HN GLU 22 -4.250 -12.364 0.623 151 HA GLU 22 HA GLU 22 -4.415 -10.800 2.958 152 HB2 GLU 22 HB2 GLU 22 -3.890 -13.160 3.083 153 HB3 GLU 22 HB1 GLU 22 -2.424 -12.926 2.147 154 HG2 GLU 22 HG2 GLU 22 -2.015 -13.262 4.555 155 HG3 GLU 22 HG1 GLU 22 -1.392 -11.729 3.950 156 H GLU 23 HN GLU 23 -1.867 -11.041 0.502 157 HA GLU 23 HA GLU 23 -0.242 -9.061 1.766 158 HB2 GLU 23 HB2 GLU 23 -0.151 -10.257 -0.998 159 HB3 GLU 23 HB1 GLU 23 1.027 -9.097 -0.398 160 HG2 GLU 23 HG2 GLU 23 1.653 -10.633 1.380 161 HG3 GLU 23 HG1 GLU 23 0.454 -11.791 0.806 162 H ARG 24 HN ARG 24 -2.709 -9.074 -0.704 163 HA ARG 24 HA ARG 24 -2.316 -6.508 -1.738 164 HB2 ARG 24 HB2 ARG 24 -3.809 -8.186 -2.758 165 HB3 ARG 24 HB1 ARG 24 -4.906 -8.033 -1.395 166 HG2 ARG 24 HG2 ARG 24 -5.418 -5.766 -1.995 167 HG3 ARG 24 HG1 ARG 24 -4.202 -5.796 -3.274 168 HD2 ARG 24 HD2 ARG 24 -6.428 -6.081 -4.204 169 HD3 ARG 24 HD1 ARG 24 -5.475 -7.545 -4.427 170 HE ARG 24 HE ARG 24 -6.979 -7.722 -2.045 171 HH11 ARG 24 HH11 ARG 24 -7.413 -7.783 -5.544 172 HH12 ARG 24 HH12 ARG 24 -8.800 -8.816 -5.471 173 HH21 ARG 24 HH21 ARG 24 -8.824 -9.069 -1.969 174 HH22 ARG 24 HH22 ARG 24 -9.611 -9.545 -3.435 175 H ALA 25 HN ALA 25 -4.273 -7.616 0.994 176 HA ALA 25 HA ALA 25 -5.364 -5.131 1.661 177 HB1 ALA 25 HB1 ALA 25 -5.786 -6.095 3.855 178 HB2 ALA 25 HB2 ALA 25 -4.672 -7.414 3.494 179 HB3 ALA 25 HB3 ALA 25 -6.166 -7.246 2.574 180 H GLN 26 HN GLN 26 -2.334 -6.659 2.616 181 HA GLN 26 HA GLN 26 -1.582 -4.715 4.535 182 HB2 GLN 26 HB2 GLN 26 0.153 -6.583 2.919 183 HB3 GLN 26 HB1 GLN 26 0.653 -5.713 4.360 184 HG2 GLN 26 HG2 GLN 26 -0.851 -6.975 5.720 185 HG3 GLN 26 HG1 GLN 26 -1.566 -7.738 4.299 186 HE21 GLN 26 HE21 GLN 26 -1.072 -9.795 4.995 187 HE22 GLN 26 HE22 GLN 26 0.549 -10.409 4.997 188 H LEU 27 HN LEU 27 -0.823 -5.137 1.103 189 HA LEU 27 HA LEU 27 0.931 -2.911 1.044 190 HB2 LEU 27 HB2 LEU 27 -0.265 -4.650 -1.058 191 HB3 LEU 27 HB1 LEU 27 0.663 -3.219 -1.483 192 HG LEU 27 HG LEU 27 1.735 -5.428 0.272 193 HD11 LEU 27 HD11 LEU 27 1.382 -6.414 -1.828 194 HD12 LEU 27 HD12 LEU 27 3.096 -5.995 -1.741 195 HD13 LEU 27 HD13 LEU 27 1.984 -4.989 -2.673 196 HD21 LEU 27 HD21 LEU 27 2.836 -3.309 0.617 197 HD22 LEU 27 HD22 LEU 27 3.036 -3.102 -1.123 198 HD23 LEU 27 HD23 LEU 27 3.901 -4.389 -0.285 199 H LEU 28 HN LEU 28 -2.490 -3.339 0.347 200 HA LEU 28 HA LEU 28 -2.910 -0.752 -0.688 201 HB2 LEU 28 HB2 LEU 28 -4.619 -2.883 0.436 202 HB3 LEU 28 HB1 LEU 28 -5.277 -1.258 0.470 203 HG LEU 28 HG LEU 28 -4.853 -1.116 -1.988 204 HD11 LEU 28 HD11 LEU 28 -3.154 -2.804 -2.190 205 HD12 LEU 28 HD12 LEU 28 -4.527 -3.161 -3.237 206 HD13 LEU 28 HD13 LEU 28 -4.313 -4.047 -1.728 207 HD21 LEU 28 HD21 LEU 28 -7.060 -1.592 -1.098 208 HD22 LEU 28 HD22 LEU 28 -6.678 -3.313 -1.047 209 HD23 LEU 28 HD23 LEU 28 -6.786 -2.479 -2.598 210 H THR 29 HN THR 29 -2.643 -2.016 2.557 211 HA THR 29 HA THR 29 -3.578 0.263 3.939 212 HB THR 29 HB THR 29 -1.462 -1.716 4.854 213 HG1 THR 29 HG1 THR 29 -3.544 -2.646 4.220 214 HG21 THR 29 HG21 THR 29 -3.321 0.069 6.437 215 HG22 THR 29 HG22 THR 29 -1.591 0.327 6.224 216 HG23 THR 29 HG23 THR 29 -2.169 -1.084 7.112 217 H ALA 30 HN ALA 30 -0.374 -0.747 2.822 218 HA ALA 30 HA ALA 30 1.077 1.471 3.789 219 HB1 ALA 30 HB1 ALA 30 1.765 -0.116 1.333 220 HB2 ALA 30 HB2 ALA 30 1.981 -0.736 2.969 221 HB3 ALA 30 HB3 ALA 30 2.847 0.710 2.460 222 H ALA 31 HN ALA 31 -0.577 0.879 0.714 223 HA ALA 31 HA ALA 31 0.175 3.218 -0.650 224 HB1 ALA 31 HB1 ALA 31 -0.964 1.351 -1.727 225 HB2 ALA 31 HB2 ALA 31 -1.839 2.860 -1.990 226 HB3 ALA 31 HB3 ALA 31 -2.426 1.695 -0.804 227 H GLU 32 HN GLU 32 -2.452 2.569 1.611 228 HA GLU 32 HA GLU 32 -3.669 5.132 1.444 229 HB2 GLU 32 HB2 GLU 32 -4.806 3.067 2.209 230 HB3 GLU 32 HB1 GLU 32 -3.795 3.065 3.643 231 HG2 GLU 32 HG2 GLU 32 -4.790 5.145 4.375 232 HG3 GLU 32 HG1 GLU 32 -5.764 5.213 2.904 233 H LYS 33 HN LYS 33 -1.316 3.650 3.635 234 HA LYS 33 HA LYS 33 -1.078 5.754 5.484 235 HB2 LYS 33 HB2 LYS 33 0.900 3.652 4.595 236 HB3 LYS 33 HB1 LYS 33 1.225 4.761 5.910 237 HG2 LYS 33 HG2 LYS 33 -1.024 2.759 5.810 238 HG3 LYS 33 HG1 LYS 33 0.482 2.585 6.710 239 HD2 LYS 33 HD2 LYS 33 -0.091 4.571 8.035 240 HD3 LYS 33 HD1 LYS 33 -1.608 4.718 7.146 241 HE2 LYS 33 HE2 LYS 33 -2.009 3.632 9.268 242 HE3 LYS 33 HE1 LYS 33 -2.269 2.488 7.953 243 HZ1 LYS 33 HZ1 LYS 33 -1.034 1.477 9.756 244 HZ2 LYS 33 HZ2 LYS 33 0.163 2.660 9.650 245 HZ3 LYS 33 HZ3 LYS 33 -0.062 1.573 8.379 246 H ALA 34 HN ALA 34 0.573 5.084 2.464 247 HA ALA 34 HA ALA 34 2.470 7.132 2.524 248 HB1 ALA 34 HB1 ALA 34 2.378 5.208 0.940 249 HB2 ALA 34 HB2 ALA 34 2.709 6.768 0.191 250 HB3 ALA 34 HB3 ALA 34 1.097 6.058 0.077 251 H ASP 35 HN ASP 35 -0.871 7.078 1.410 252 HA ASP 35 HA ASP 35 -0.876 9.676 0.301 253 HB2 ASP 35 HB2 ASP 35 -2.609 8.127 -0.327 254 HB3 ASP 35 HB1 ASP 35 -3.139 7.972 1.347 255 H GLU 36 HN GLU 36 -1.744 8.412 3.478 256 HA GLU 36 HA GLU 36 -2.653 10.821 4.606 257 HB2 GLU 36 HB2 GLU 36 -1.329 8.468 5.951 258 HB3 GLU 36 HB1 GLU 36 -2.199 9.749 6.780 259 HG2 GLU 36 HG2 GLU 36 -4.252 9.101 5.635 260 HG3 GLU 36 HG1 GLU 36 -3.376 7.820 4.794 261 H LEU 37 HN LEU 37 0.555 9.496 4.181 262 HA LEU 37 HA LEU 37 1.868 11.435 5.832 263 HB2 LEU 37 HB2 LEU 37 2.933 9.605 3.703 264 HB3 LEU 37 HB1 LEU 37 3.920 10.586 4.764 265 HG LEU 37 HG LEU 37 2.143 8.294 5.578 266 HD11 LEU 37 HD11 LEU 37 4.247 7.244 6.194 267 HD12 LEU 37 HD12 LEU 37 5.116 8.662 5.599 268 HD13 LEU 37 HD13 LEU 37 4.203 7.653 4.476 269 HD21 LEU 37 HD21 LEU 37 3.855 10.123 7.259 270 HD22 LEU 37 HD22 LEU 37 3.093 8.639 7.826 271 HD23 LEU 37 HD23 LEU 37 2.096 9.995 7.304 272 H GLY 38 HN GLY 38 0.542 11.457 2.708 273 HA2 GLY 38 HA2 GLY 38 0.542 12.997 1.015 274 HA3 GLY 38 HA1 GLY 38 1.186 14.138 2.186 Start of MODEL 5 1 H1 SER 1 HN SER 1 2.914 11.312 1.245 2 HA SER 1 HA SER 1 5.021 12.916 -0.031 3 HB2 SER 1 HB2 SER 1 5.866 11.852 1.979 4 HB3 SER 1 HB1 SER 1 5.267 10.285 1.438 5 HG SER 1 HG SER 1 7.626 11.055 1.057 6 HA PRO 2 HA PRO 2 3.602 10.752 -3.732 7 HB2 PRO 2 HB2 PRO 2 5.995 12.106 -4.848 8 HB3 PRO 2 HB1 PRO 2 4.320 12.155 -5.406 9 HG2 PRO 2 HG2 PRO 2 5.419 14.255 -4.180 10 HG3 PRO 2 HG1 PRO 2 3.727 13.809 -3.895 11 HD2 PRO 2 HD2 PRO 2 6.128 13.332 -2.178 12 HD3 PRO 2 HD1 PRO 2 4.481 13.810 -1.713 13 H GLU 3 HN GLU 3 6.912 10.979 -2.547 14 HA GLU 3 HA GLU 3 8.045 8.899 -4.066 15 HB2 GLU 3 HB2 GLU 3 8.773 10.096 -1.401 16 HB3 GLU 3 HB1 GLU 3 9.725 8.824 -2.152 17 HG2 GLU 3 HG2 GLU 3 9.127 11.474 -3.436 18 HG3 GLU 3 HG1 GLU 3 10.597 11.109 -2.531 19 H GLU 4 HN GLU 4 6.575 8.916 -0.846 20 HA GLU 4 HA GLU 4 6.935 6.107 -0.487 21 HB2 GLU 4 HB2 GLU 4 5.021 7.953 0.951 22 HB3 GLU 4 HB1 GLU 4 5.522 6.353 1.479 23 HG2 GLU 4 HG2 GLU 4 7.176 8.852 1.335 24 HG3 GLU 4 HG1 GLU 4 6.728 7.925 2.766 25 H ARG 5 HN ARG 5 4.368 8.196 -1.646 26 HA ARG 5 HA ARG 5 2.293 6.340 -1.682 27 HB2 ARG 5 HB2 ARG 5 2.097 8.816 -1.954 28 HB3 ARG 5 HB1 ARG 5 2.709 8.630 -3.592 29 HG2 ARG 5 HG2 ARG 5 0.797 7.156 -4.096 30 HG3 ARG 5 HG1 ARG 5 0.193 7.473 -2.468 31 HD2 ARG 5 HD2 ARG 5 0.628 9.513 -4.645 32 HD3 ARG 5 HD1 ARG 5 -0.929 8.905 -4.086 33 HE ARG 5 HE ARG 5 0.872 10.704 -2.621 34 HH11 ARG 5 HH11 ARG 5 -2.213 9.037 -2.819 35 HH12 ARG 5 HH12 ARG 5 -2.975 10.057 -1.642 36 HH21 ARG 5 HH21 ARG 5 -0.142 12.031 -1.059 37 HH22 ARG 5 HH22 ARG 5 -1.794 11.755 -0.639 38 H ALA 6 HN ALA 6 4.627 7.223 -4.210 39 HA ALA 6 HA ALA 6 3.476 5.643 -6.217 40 HB1 ALA 6 HB1 ALA 6 5.569 5.891 -7.395 41 HB2 ALA 6 HB2 ALA 6 6.360 6.425 -5.912 42 HB3 ALA 6 HB3 ALA 6 5.098 7.417 -6.646 43 H GLN 7 HN GLN 7 6.036 4.885 -3.885 44 HA GLN 7 HA GLN 7 6.527 2.300 -4.976 45 HB2 GLN 7 HB2 GLN 7 7.232 3.442 -2.275 46 HB3 GLN 7 HB1 GLN 7 7.816 1.904 -2.895 47 HG2 GLN 7 HG2 GLN 7 8.367 4.635 -4.022 48 HG3 GLN 7 HG1 GLN 7 9.504 3.575 -3.193 49 HE21 GLN 7 HE21 GLN 7 10.272 1.740 -4.259 50 HE22 GLN 7 HE22 GLN 7 10.163 1.575 -5.977 51 H LEU 8 HN LEU 8 4.648 3.430 -2.204 52 HA LEU 8 HA LEU 8 3.954 0.814 -1.354 53 HB2 LEU 8 HB2 LEU 8 2.785 3.489 -0.658 54 HB3 LEU 8 HB1 LEU 8 2.355 1.982 0.131 55 HG LEU 8 HG LEU 8 5.109 3.220 0.114 56 HD11 LEU 8 HD11 LEU 8 4.680 3.513 2.535 57 HD12 LEU 8 HD12 LEU 8 2.995 3.074 2.238 58 HD13 LEU 8 HD13 LEU 8 3.681 4.516 1.490 59 HD21 LEU 8 HD21 LEU 8 5.577 1.482 1.837 60 HD22 LEU 8 HD22 LEU 8 5.317 0.843 0.216 61 HD23 LEU 8 HD23 LEU 8 4.037 0.731 1.423 62 H LEU 9 HN LEU 9 2.276 3.226 -3.362 63 HA LEU 9 HA LEU 9 -0.183 1.858 -3.369 64 HB2 LEU 9 HB2 LEU 9 -0.019 4.221 -3.741 65 HB3 LEU 9 HB1 LEU 9 0.944 3.956 -5.180 66 HG LEU 9 HG LEU 9 -0.941 2.806 -6.173 67 HD11 LEU 9 HD11 LEU 9 -3.184 3.073 -5.219 68 HD12 LEU 9 HD12 LEU 9 -2.477 3.832 -3.795 69 HD13 LEU 9 HD13 LEU 9 -2.137 2.139 -4.153 70 HD21 LEU 9 HD21 LEU 9 -1.392 5.628 -5.279 71 HD22 LEU 9 HD22 LEU 9 -2.251 4.853 -6.610 72 HD23 LEU 9 HD23 LEU 9 -0.505 5.101 -6.709 73 H THR 10 HN THR 10 2.598 1.859 -5.590 74 HA THR 10 HA THR 10 1.347 0.334 -7.613 75 HB THR 10 HB THR 10 3.722 -0.287 -8.287 76 HG1 THR 10 HG1 THR 10 4.612 1.723 -6.537 77 HG21 THR 10 HG21 THR 10 2.558 1.606 -9.290 78 HG22 THR 10 HG22 THR 10 4.260 1.998 -9.046 79 HG23 THR 10 HG23 THR 10 3.042 2.638 -7.944 80 H ALA 11 HN ALA 11 2.962 -0.533 -4.657 81 HA ALA 11 HA ALA 11 3.322 -3.284 -5.097 82 HB1 ALA 11 HB1 ALA 11 3.571 -3.469 -2.740 83 HB2 ALA 11 HB2 ALA 11 2.738 -1.934 -2.478 84 HB3 ALA 11 HB3 ALA 11 4.321 -1.959 -3.255 85 H ALA 12 HN ALA 12 0.579 -1.415 -3.945 86 HA ALA 12 HA ALA 12 -1.131 -3.520 -3.163 87 HB1 ALA 12 HB1 ALA 12 -2.919 -1.883 -3.427 88 HB2 ALA 12 HB2 ALA 12 -1.816 -0.808 -4.285 89 HB3 ALA 12 HB3 ALA 12 -1.532 -1.189 -2.587 90 H GLU 13 HN GLU 13 -0.655 -1.868 -6.264 91 HA GLU 13 HA GLU 13 -2.696 -3.257 -7.668 92 HB2 GLU 13 HB2 GLU 13 -1.780 -1.080 -8.393 93 HB3 GLU 13 HB1 GLU 13 -0.239 -1.851 -8.737 94 HG2 GLU 13 HG2 GLU 13 -1.390 -1.562 -10.798 95 HG3 GLU 13 HG1 GLU 13 -1.405 -3.281 -10.411 96 H LYS 14 HN LYS 14 0.796 -3.749 -7.319 97 HA LYS 14 HA LYS 14 1.003 -5.854 -9.185 98 HB2 LYS 14 HB2 LYS 14 2.949 -4.584 -8.328 99 HB3 LYS 14 HB1 LYS 14 2.738 -5.353 -6.762 100 HG2 LYS 14 HG2 LYS 14 3.122 -7.549 -7.822 101 HG3 LYS 14 HG1 LYS 14 3.424 -6.727 -9.353 102 HD2 LYS 14 HD2 LYS 14 5.296 -5.523 -8.325 103 HD3 LYS 14 HD1 LYS 14 4.993 -6.363 -6.803 104 HE2 LYS 14 HE2 LYS 14 5.403 -8.514 -7.947 105 HE3 LYS 14 HE1 LYS 14 5.783 -7.632 -9.424 106 HZ1 LYS 14 HZ1 LYS 14 7.790 -8.225 -8.255 107 HZ2 LYS 14 HZ2 LYS 14 7.250 -7.454 -6.854 108 HZ3 LYS 14 HZ3 LYS 14 7.605 -6.548 -8.232 109 H ALA 15 HN ALA 15 0.413 -5.824 -5.702 110 HA ALA 15 HA ALA 15 0.468 -8.608 -5.313 111 HB1 ALA 15 HB1 ALA 15 0.558 -7.010 -3.476 112 HB2 ALA 15 HB2 ALA 15 -0.750 -8.171 -3.246 113 HB3 ALA 15 HB3 ALA 15 -1.108 -6.533 -3.797 114 H ASP 16 HN ASP 16 -2.068 -6.428 -6.384 115 HA ASP 16 HA ASP 16 -4.169 -8.326 -6.274 116 HB2 ASP 16 HB2 ASP 16 -4.584 -5.902 -6.421 117 HB3 ASP 16 HB1 ASP 16 -3.910 -5.892 -8.044 118 H GLU 17 HN GLU 17 -1.941 -7.299 -8.799 119 HA GLU 17 HA GLU 17 -2.894 -8.902 -10.875 120 HB2 GLU 17 HB2 GLU 17 -1.227 -7.034 -11.040 121 HB3 GLU 17 HB1 GLU 17 -0.027 -8.120 -10.355 122 HG2 GLU 17 HG2 GLU 17 -0.376 -9.648 -12.249 123 HG3 GLU 17 HG1 GLU 17 -1.513 -8.475 -12.917 124 H LEU 18 HN LEU 18 -0.777 -9.572 -8.171 125 HA LEU 18 HA LEU 18 0.016 -12.179 -9.109 126 HB2 LEU 18 HB2 LEU 18 0.331 -10.861 -6.427 127 HB3 LEU 18 HB1 LEU 18 1.068 -12.377 -6.898 128 HG LEU 18 HG LEU 18 1.653 -9.657 -8.053 129 HD11 LEU 18 HD11 LEU 18 2.611 -10.036 -5.867 130 HD12 LEU 18 HD12 LEU 18 3.868 -10.040 -7.106 131 HD13 LEU 18 HD13 LEU 18 3.298 -11.563 -6.420 132 HD21 LEU 18 HD21 LEU 18 1.760 -11.335 -9.811 133 HD22 LEU 18 HD22 LEU 18 2.785 -12.353 -8.799 134 HD23 LEU 18 HD23 LEU 18 3.378 -10.795 -9.372 135 H GLY 19 HN GLY 19 -2.742 -10.937 -7.692 136 HA2 GLY 19 HA2 GLY 19 -4.632 -11.963 -6.895 137 HA3 GLY 19 HA1 GLY 19 -3.896 -13.506 -7.308 138 H CYS 20 HN CYS 20 -2.541 -11.092 -5.154 139 HA CYS 20 HA CYS 20 -2.682 -13.057 -2.969 140 HB2 CYS 20 HB2 CYS 20 -0.854 -10.691 -3.394 141 HB3 CYS 20 HB1 CYS 20 -0.858 -11.691 -1.950 142 HG CYS 20 HG CYS 20 1.123 -12.951 -2.904 143 HA PRO 21 HA PRO 21 -5.817 -9.951 -1.664 144 HB2 PRO 21 HB2 PRO 21 -6.613 -12.163 0.122 145 HB3 PRO 21 HB1 PRO 21 -7.587 -11.246 -1.032 146 HG2 PRO 21 HG2 PRO 21 -6.898 -13.787 -1.509 147 HG3 PRO 21 HG1 PRO 21 -6.986 -12.589 -2.813 148 HD2 PRO 21 HD2 PRO 21 -4.580 -13.659 -1.386 149 HD3 PRO 21 HD1 PRO 21 -4.816 -13.341 -3.118 150 H GLU 22 HN GLU 22 -4.043 -12.188 0.453 151 HA GLU 22 HA GLU 22 -4.345 -10.651 2.815 152 HB2 GLU 22 HB2 GLU 22 -3.853 -13.030 2.884 153 HB3 GLU 22 HB1 GLU 22 -2.319 -12.763 2.076 154 HG2 GLU 22 HG2 GLU 22 -1.590 -11.423 4.025 155 HG3 GLU 22 HG1 GLU 22 -3.093 -11.870 4.836 156 H GLU 23 HN GLU 23 -1.728 -10.922 0.444 157 HA GLU 23 HA GLU 23 -0.036 -9.079 1.814 158 HB2 GLU 23 HB2 GLU 23 0.054 -10.049 -1.048 159 HB3 GLU 23 HB1 GLU 23 1.309 -9.092 -0.275 160 HG2 GLU 23 HG2 GLU 23 1.641 -10.892 1.368 161 HG3 GLU 23 HG1 GLU 23 0.430 -11.856 0.527 162 H ARG 24 HN ARG 24 -2.397 -8.822 -0.779 163 HA ARG 24 HA ARG 24 -1.813 -6.173 -1.524 164 HB2 ARG 24 HB2 ARG 24 -3.227 -7.777 -2.828 165 HB3 ARG 24 HB1 ARG 24 -4.503 -7.533 -1.644 166 HG2 ARG 24 HG2 ARG 24 -4.481 -5.119 -2.200 167 HG3 ARG 24 HG1 ARG 24 -3.322 -5.475 -3.482 168 HD2 ARG 24 HD2 ARG 24 -4.939 -6.976 -4.526 169 HD3 ARG 24 HD1 ARG 24 -6.088 -6.633 -3.233 170 HE ARG 24 HE ARG 24 -5.095 -4.409 -4.857 171 HH11 ARG 24 HH11 ARG 24 -7.737 -6.570 -4.019 172 HH12 ARG 24 HH12 ARG 24 -8.951 -5.549 -4.710 173 HH21 ARG 24 HH21 ARG 24 -6.704 -3.078 -5.779 174 HH22 ARG 24 HH22 ARG 24 -8.360 -3.558 -5.714 175 H ALA 25 HN ALA 25 -3.861 -7.557 0.977 176 HA ALA 25 HA ALA 25 -5.258 -5.263 1.732 177 HB1 ALA 25 HB1 ALA 25 -4.333 -7.533 3.486 178 HB2 ALA 25 HB2 ALA 25 -5.808 -7.515 2.519 179 HB3 ALA 25 HB3 ALA 25 -5.618 -6.388 3.862 180 H GLN 26 HN GLN 26 -2.112 -6.479 2.794 181 HA GLN 26 HA GLN 26 -1.666 -4.403 4.701 182 HB2 GLN 26 HB2 GLN 26 0.245 -6.301 3.331 183 HB3 GLN 26 HB1 GLN 26 0.695 -5.222 4.643 184 HG2 GLN 26 HG2 GLN 26 -1.388 -7.384 4.838 185 HG3 GLN 26 HG1 GLN 26 0.287 -7.544 5.364 186 HE21 GLN 26 HE21 GLN 26 -2.191 -7.720 6.885 187 HE22 GLN 26 HE22 GLN 26 -2.067 -6.539 8.139 188 H LEU 27 HN LEU 27 -0.705 -4.937 1.354 189 HA LEU 27 HA LEU 27 0.963 -2.671 1.158 190 HB2 LEU 27 HB2 LEU 27 -0.398 -4.340 -0.918 191 HB3 LEU 27 HB1 LEU 27 0.734 -3.052 -1.293 192 HG LEU 27 HG LEU 27 1.435 -5.417 0.438 193 HD11 LEU 27 HD11 LEU 27 2.645 -6.246 -1.517 194 HD12 LEU 27 HD12 LEU 27 1.903 -4.963 -2.481 195 HD13 LEU 27 HD13 LEU 27 0.896 -6.209 -1.742 196 HD21 LEU 27 HD21 LEU 27 3.114 -3.322 -0.928 197 HD22 LEU 27 HD22 LEU 27 3.736 -4.710 -0.039 198 HD23 LEU 27 HD23 LEU 27 2.828 -3.458 0.809 199 H LEU 28 HN LEU 28 -2.467 -3.174 0.564 200 HA LEU 28 HA LEU 28 -2.961 -0.655 -0.621 201 HB2 LEU 28 HB2 LEU 28 -4.671 -2.699 0.709 202 HB3 LEU 28 HB1 LEU 28 -5.329 -1.129 0.299 203 HG LEU 28 HG LEU 28 -3.990 -2.865 -1.751 204 HD11 LEU 28 HD11 LEU 28 -6.196 -3.597 -2.408 205 HD12 LEU 28 HD12 LEU 28 -6.903 -2.728 -1.041 206 HD13 LEU 28 HD13 LEU 28 -5.826 -4.099 -0.759 207 HD21 LEU 28 HD21 LEU 28 -5.960 -0.586 -1.937 208 HD22 LEU 28 HD22 LEU 28 -5.296 -1.490 -3.298 209 HD23 LEU 28 HD23 LEU 28 -4.237 -0.494 -2.300 210 H THR 29 HN THR 29 -2.856 -1.782 2.705 211 HA THR 29 HA THR 29 -3.834 0.585 3.898 212 HB THR 29 HB THR 29 -1.895 -1.448 5.048 213 HG1 THR 29 HG1 THR 29 -4.525 -1.595 4.397 214 HG21 THR 29 HG21 THR 29 -2.740 -0.696 7.219 215 HG22 THR 29 HG22 THR 29 -3.762 0.497 6.417 216 HG23 THR 29 HG23 THR 29 -2.006 0.645 6.338 217 H ALA 30 HN ALA 30 -0.668 -0.498 2.842 218 HA ALA 30 HA ALA 30 0.873 1.635 3.863 219 HB1 ALA 30 HB1 ALA 30 1.739 -0.540 2.981 220 HB2 ALA 30 HB2 ALA 30 2.572 0.903 2.420 221 HB3 ALA 30 HB3 ALA 30 1.434 0.079 1.354 222 H ALA 31 HN ALA 31 -0.820 1.134 0.805 223 HA ALA 31 HA ALA 31 -0.084 3.492 -0.522 224 HB1 ALA 31 HB1 ALA 31 -2.068 3.127 -1.880 225 HB2 ALA 31 HB2 ALA 31 -2.697 1.993 -0.686 226 HB3 ALA 31 HB3 ALA 31 -1.233 1.601 -1.587 227 H GLU 32 HN GLU 32 -2.618 2.797 1.824 228 HA GLU 32 HA GLU 32 -3.932 5.326 1.701 229 HB2 GLU 32 HB2 GLU 32 -4.883 3.145 2.574 230 HB3 GLU 32 HB1 GLU 32 -3.894 3.378 4.006 231 HG2 GLU 32 HG2 GLU 32 -6.029 4.138 4.580 232 HG3 GLU 32 HG1 GLU 32 -5.079 5.596 4.288 233 H LYS 33 HN LYS 33 -1.448 3.909 3.753 234 HA LYS 33 HA LYS 33 -1.241 6.051 5.574 235 HB2 LYS 33 HB2 LYS 33 -0.383 3.727 5.930 236 HB3 LYS 33 HB1 LYS 33 0.912 4.078 4.796 237 HG2 LYS 33 HG2 LYS 33 1.740 5.836 6.265 238 HG3 LYS 33 HG1 LYS 33 0.425 5.519 7.397 239 HD2 LYS 33 HD2 LYS 33 2.578 3.557 6.598 240 HD3 LYS 33 HD1 LYS 33 2.512 4.451 8.116 241 HE2 LYS 33 HE2 LYS 33 0.382 3.346 8.653 242 HE3 LYS 33 HE1 LYS 33 0.486 2.436 7.148 243 HZ1 LYS 33 HZ1 LYS 33 2.514 1.411 7.937 244 HZ2 LYS 33 HZ2 LYS 33 1.253 1.137 9.027 245 HZ3 LYS 33 HZ3 LYS 33 2.434 2.292 9.378 246 H ALA 34 HN ALA 34 0.289 5.330 2.507 247 HA ALA 34 HA ALA 34 2.253 7.327 2.508 248 HB1 ALA 34 HB1 ALA 34 2.084 5.426 0.905 249 HB2 ALA 34 HB2 ALA 34 2.388 6.991 0.156 250 HB3 ALA 34 HB3 ALA 34 0.771 6.289 0.105 251 H ASP 35 HN ASP 35 -1.148 7.375 1.615 252 HA ASP 35 HA ASP 35 -1.196 9.978 0.504 253 HB2 ASP 35 HB2 ASP 35 -3.027 8.364 0.160 254 HB3 ASP 35 HB1 ASP 35 -3.418 8.438 1.876 255 H GLU 36 HN GLU 36 -1.684 8.691 3.718 256 HA GLU 36 HA GLU 36 -2.364 11.147 4.946 257 HB2 GLU 36 HB2 GLU 36 -1.210 8.661 6.201 258 HB3 GLU 36 HB1 GLU 36 -2.021 9.971 7.048 259 HG2 GLU 36 HG2 GLU 36 -4.074 9.467 5.755 260 HG3 GLU 36 HG1 GLU 36 -3.244 8.074 5.063 261 H LEU 37 HN LEU 37 0.658 9.664 4.120 262 HA LEU 37 HA LEU 37 2.243 11.358 5.831 263 HB2 LEU 37 HB2 LEU 37 3.001 9.581 3.538 264 HB3 LEU 37 HB1 LEU 37 4.140 10.436 4.556 265 HG LEU 37 HG LEU 37 2.258 8.256 5.439 266 HD11 LEU 37 HD11 LEU 37 4.120 7.514 4.069 267 HD12 LEU 37 HD12 LEU 37 4.294 6.980 5.747 268 HD13 LEU 37 HD13 LEU 37 5.238 8.348 5.145 269 HD21 LEU 37 HD21 LEU 37 2.583 9.883 7.222 270 HD22 LEU 37 HD22 LEU 37 4.329 9.813 6.991 271 HD23 LEU 37 HD23 LEU 37 3.460 8.397 7.581 272 H GLY 38 HN GLY 38 0.712 11.661 2.818 273 HA2 GLY 38 HA2 GLY 38 0.747 13.272 1.189 274 HA3 GLY 38 HA1 GLY 38 1.490 14.315 2.394 Start of MODEL 6 1 H1 SER 1 HN SER 1 3.313 10.999 1.948 2 HA SER 1 HA SER 1 5.575 12.242 0.584 3 HB2 SER 1 HB2 SER 1 5.962 10.695 2.501 4 HB3 SER 1 HB1 SER 1 5.233 9.399 1.556 5 HG SER 1 HG SER 1 7.541 9.431 1.468 6 HA PRO 2 HA PRO 2 3.375 11.029 -3.200 7 HB2 PRO 2 HB2 PRO 2 5.778 12.271 -4.419 8 HB3 PRO 2 HB1 PRO 2 4.070 12.616 -4.705 9 HG2 PRO 2 HG2 PRO 2 5.582 14.313 -3.322 10 HG3 PRO 2 HG1 PRO 2 3.903 13.995 -2.844 11 HD2 PRO 2 HD2 PRO 2 6.443 12.936 -1.664 12 HD3 PRO 2 HD1 PRO 2 4.972 13.512 -0.849 13 H GLU 3 HN GLU 3 6.898 10.705 -2.833 14 HA GLU 3 HA GLU 3 7.166 8.770 -4.871 15 HB2 GLU 3 HB2 GLU 3 9.427 8.362 -3.894 16 HB3 GLU 3 HB1 GLU 3 9.091 10.041 -4.282 17 HG2 GLU 3 HG2 GLU 3 8.729 10.555 -1.962 18 HG3 GLU 3 HG1 GLU 3 8.878 8.853 -1.527 19 H GLU 4 HN GLU 4 6.896 8.457 -1.349 20 HA GLU 4 HA GLU 4 7.165 5.622 -1.417 21 HB2 GLU 4 HB2 GLU 4 6.126 7.472 0.726 22 HB3 GLU 4 HB1 GLU 4 6.351 5.741 0.946 23 HG2 GLU 4 HG2 GLU 4 8.727 5.964 0.566 24 HG3 GLU 4 HG1 GLU 4 8.536 7.682 0.220 25 H ARG 5 HN ARG 5 4.473 7.871 -1.518 26 HA ARG 5 HA ARG 5 2.386 6.058 -1.138 27 HB2 ARG 5 HB2 ARG 5 2.267 8.589 -1.210 28 HB3 ARG 5 HB1 ARG 5 2.336 8.459 -2.961 29 HG2 ARG 5 HG2 ARG 5 0.296 6.987 -2.806 30 HG3 ARG 5 HG1 ARG 5 0.206 7.481 -1.112 31 HD2 ARG 5 HD2 ARG 5 0.143 9.844 -1.850 32 HD3 ARG 5 HD1 ARG 5 0.107 9.290 -3.522 33 HE ARG 5 HE ARG 5 -2.069 9.354 -1.654 34 HH11 ARG 5 HH11 ARG 5 -0.848 7.773 -4.556 35 HH12 ARG 5 HH12 ARG 5 -2.415 7.280 -5.098 36 HH21 ARG 5 HH21 ARG 5 -4.148 8.688 -2.382 37 HH22 ARG 5 HH22 ARG 5 -4.293 7.788 -3.853 38 H ALA 6 HN ALA 6 4.044 7.162 -4.073 39 HA ALA 6 HA ALA 6 2.496 5.731 -5.916 40 HB1 ALA 6 HB1 ALA 6 5.383 6.573 -6.152 41 HB2 ALA 6 HB2 ALA 6 3.982 7.569 -6.549 42 HB3 ALA 6 HB3 ALA 6 4.323 6.113 -7.485 43 H GLN 7 HN GLN 7 5.464 4.848 -4.205 44 HA GLN 7 HA GLN 7 5.852 2.392 -5.565 45 HB2 GLN 7 HB2 GLN 7 6.831 3.292 -2.858 46 HB3 GLN 7 HB1 GLN 7 7.400 1.863 -3.709 47 HG2 GLN 7 HG2 GLN 7 8.314 3.199 -5.469 48 HG3 GLN 7 HG1 GLN 7 7.599 4.660 -4.789 49 HE21 GLN 7 HE21 GLN 7 9.545 5.683 -4.593 50 HE22 GLN 7 HE22 GLN 7 10.723 5.241 -3.404 51 H LEU 8 HN LEU 8 4.308 3.189 -2.483 52 HA LEU 8 HA LEU 8 3.675 0.498 -1.852 53 HB2 LEU 8 HB2 LEU 8 2.699 3.131 -0.814 54 HB3 LEU 8 HB1 LEU 8 2.076 1.602 -0.218 55 HG LEU 8 HG LEU 8 5.018 2.227 -0.184 56 HD11 LEU 8 HD11 LEU 8 3.961 3.972 1.053 57 HD12 LEU 8 HD12 LEU 8 4.704 2.832 2.177 58 HD13 LEU 8 HD13 LEU 8 2.957 2.809 1.916 59 HD21 LEU 8 HD21 LEU 8 4.377 -0.117 0.066 60 HD22 LEU 8 HD22 LEU 8 3.290 0.324 1.387 61 HD23 LEU 8 HD23 LEU 8 5.032 0.528 1.574 62 H LEU 9 HN LEU 9 1.945 3.073 -3.540 63 HA LEU 9 HA LEU 9 -0.542 1.801 -3.653 64 HB2 LEU 9 HB2 LEU 9 -0.049 4.214 -4.042 65 HB3 LEU 9 HB1 LEU 9 0.622 3.761 -5.599 66 HG LEU 9 HG LEU 9 -1.629 2.610 -5.906 67 HD11 LEU 9 HD11 LEU 9 -2.553 2.927 -3.732 68 HD12 LEU 9 HD12 LEU 9 -3.503 3.864 -4.883 69 HD13 LEU 9 HD13 LEU 9 -2.329 4.673 -3.845 70 HD21 LEU 9 HD21 LEU 9 -1.290 5.582 -6.094 71 HD22 LEU 9 HD22 LEU 9 -2.521 4.651 -6.952 72 HD23 LEU 9 HD23 LEU 9 -0.810 4.389 -7.300 73 H THR 10 HN THR 10 2.233 1.881 -5.884 74 HA THR 10 HA THR 10 0.995 0.258 -7.842 75 HB THR 10 HB THR 10 3.391 -0.131 -8.638 76 HG1 THR 10 HG1 THR 10 4.170 1.986 -6.988 77 HG21 THR 10 HG21 THR 10 3.638 2.190 -9.428 78 HG22 THR 10 HG22 THR 10 2.421 2.707 -8.260 79 HG23 THR 10 HG23 THR 10 1.976 1.620 -9.576 80 H ALA 11 HN ALA 11 2.868 -0.411 -4.970 81 HA ALA 11 HA ALA 11 3.325 -3.164 -5.355 82 HB1 ALA 11 HB1 ALA 11 2.861 -1.702 -2.767 83 HB2 ALA 11 HB2 ALA 11 4.403 -1.802 -3.616 84 HB3 ALA 11 HB3 ALA 11 3.658 -3.265 -2.971 85 H ALA 12 HN ALA 12 0.590 -1.366 -4.076 86 HA ALA 12 HA ALA 12 -1.041 -3.501 -3.214 87 HB1 ALA 12 HB1 ALA 12 -1.518 -1.204 -2.647 88 HB2 ALA 12 HB2 ALA 12 -2.883 -1.897 -3.528 89 HB3 ALA 12 HB3 ALA 12 -1.766 -0.807 -4.347 90 H GLU 13 HN GLU 13 -0.609 -1.943 -6.348 91 HA GLU 13 HA GLU 13 -2.597 -3.433 -7.723 92 HB2 GLU 13 HB2 GLU 13 -1.791 -1.292 -8.566 93 HB3 GLU 13 HB1 GLU 13 -0.169 -1.941 -8.736 94 HG2 GLU 13 HG2 GLU 13 -0.976 -3.492 -10.447 95 HG3 GLU 13 HG1 GLU 13 -2.597 -2.818 -10.282 96 H LYS 14 HN LYS 14 0.886 -3.799 -7.275 97 HA LYS 14 HA LYS 14 1.266 -6.006 -8.992 98 HB2 LYS 14 HB2 LYS 14 2.783 -5.056 -6.562 99 HB3 LYS 14 HB1 LYS 14 3.320 -6.402 -7.551 100 HG2 LYS 14 HG2 LYS 14 3.566 -4.957 -9.465 101 HG3 LYS 14 HG1 LYS 14 2.877 -3.604 -8.569 102 HD2 LYS 14 HD2 LYS 14 5.323 -3.457 -8.677 103 HD3 LYS 14 HD1 LYS 14 4.760 -3.655 -7.017 104 HE2 LYS 14 HE2 LYS 14 5.294 -6.039 -7.115 105 HE3 LYS 14 HE1 LYS 14 5.829 -5.858 -8.784 106 HZ1 LYS 14 HZ1 LYS 14 7.057 -4.581 -6.404 107 HZ2 LYS 14 HZ2 LYS 14 7.554 -4.336 -7.998 108 HZ3 LYS 14 HZ3 LYS 14 7.700 -5.863 -7.297 109 H ALA 15 HN ALA 15 0.542 -5.841 -5.520 110 HA ALA 15 HA ALA 15 0.649 -8.609 -5.038 111 HB1 ALA 15 HB1 ALA 15 -1.028 -6.513 -3.670 112 HB2 ALA 15 HB2 ALA 15 0.621 -6.974 -3.245 113 HB3 ALA 15 HB3 ALA 15 -0.696 -8.130 -3.049 114 H ASP 16 HN ASP 16 -1.884 -6.528 -6.269 115 HA ASP 16 HA ASP 16 -3.968 -8.457 -6.236 116 HB2 ASP 16 HB2 ASP 16 -4.326 -6.002 -6.449 117 HB3 ASP 16 HB1 ASP 16 -3.633 -6.071 -8.063 118 H GLU 17 HN GLU 17 -1.604 -7.425 -8.625 119 HA GLU 17 HA GLU 17 -2.412 -9.046 -10.772 120 HB2 GLU 17 HB2 GLU 17 0.312 -7.972 -10.032 121 HB3 GLU 17 HB1 GLU 17 -0.039 -8.734 -11.569 122 HG2 GLU 17 HG2 GLU 17 -1.227 -6.187 -10.497 123 HG3 GLU 17 HG1 GLU 17 -0.070 -6.346 -11.817 124 H LEU 18 HN LEU 18 -0.400 -9.706 -7.983 125 HA LEU 18 HA LEU 18 0.321 -12.350 -8.939 126 HB2 LEU 18 HB2 LEU 18 1.043 -10.701 -6.576 127 HB3 LEU 18 HB1 LEU 18 1.240 -12.437 -6.471 128 HG LEU 18 HG LEU 18 2.663 -12.304 -8.546 129 HD11 LEU 18 HD11 LEU 18 2.530 -9.360 -7.957 130 HD12 LEU 18 HD12 LEU 18 1.908 -10.173 -9.393 131 HD13 LEU 18 HD13 LEU 18 3.646 -10.129 -9.087 132 HD21 LEU 18 HD21 LEU 18 3.607 -12.555 -6.335 133 HD22 LEU 18 HD22 LEU 18 3.588 -10.805 -6.110 134 HD23 LEU 18 HD23 LEU 18 4.630 -11.528 -7.338 135 H GLY 19 HN GLY 19 -2.402 -11.099 -7.664 136 HA2 GLY 19 HA2 GLY 19 -4.274 -12.030 -6.731 137 HA3 GLY 19 HA1 GLY 19 -3.575 -13.595 -7.119 138 H CYS 20 HN CYS 20 -2.172 -11.166 -4.996 139 HA CYS 20 HA CYS 20 -2.332 -13.109 -2.791 140 HB2 CYS 20 HB2 CYS 20 -0.572 -10.670 -3.063 141 HB3 CYS 20 HB1 CYS 20 -0.460 -11.906 -1.817 142 HG CYS 20 HG CYS 20 -0.260 -13.392 -4.715 143 HA PRO 21 HA PRO 21 -5.578 -10.090 -1.590 144 HB2 PRO 21 HB2 PRO 21 -6.685 -11.703 0.329 145 HB3 PRO 21 HB1 PRO 21 -7.104 -11.774 -1.386 146 HG2 PRO 21 HG2 PRO 21 -5.213 -13.489 0.175 147 HG3 PRO 21 HG1 PRO 21 -6.402 -13.966 -1.049 148 HD2 PRO 21 HD2 PRO 21 -3.795 -13.770 -1.628 149 HD3 PRO 21 HD1 PRO 21 -5.042 -13.313 -2.806 150 H GLU 22 HN GLU 22 -3.647 -11.986 0.750 151 HA GLU 22 HA GLU 22 -4.116 -10.240 2.937 152 HB2 GLU 22 HB2 GLU 22 -3.387 -12.542 3.278 153 HB3 GLU 22 HB1 GLU 22 -1.877 -12.211 2.447 154 HG2 GLU 22 HG2 GLU 22 -1.537 -12.281 4.836 155 HG3 GLU 22 HG1 GLU 22 -1.235 -10.661 4.215 156 H GLU 23 HN GLU 23 -1.472 -10.523 0.619 157 HA GLU 23 HA GLU 23 0.008 -8.390 1.769 158 HB2 GLU 23 HB2 GLU 23 0.220 -9.734 -0.923 159 HB3 GLU 23 HB1 GLU 23 1.342 -8.509 -0.348 160 HG2 GLU 23 HG2 GLU 23 1.921 -9.948 1.556 161 HG3 GLU 23 HG1 GLU 23 0.821 -11.179 0.942 162 H ARG 24 HN ARG 24 -2.360 -8.652 -0.806 163 HA ARG 24 HA ARG 24 -2.080 -6.084 -1.887 164 HB2 ARG 24 HB2 ARG 24 -3.370 -7.904 -2.950 165 HB3 ARG 24 HB1 ARG 24 -4.580 -7.774 -1.682 166 HG2 ARG 24 HG2 ARG 24 -5.062 -5.481 -2.400 167 HG3 ARG 24 HG1 ARG 24 -3.871 -5.653 -3.689 168 HD2 ARG 24 HD2 ARG 24 -6.117 -6.019 -4.548 169 HD3 ARG 24 HD1 ARG 24 -5.168 -7.502 -4.636 170 HE ARG 24 HE ARG 24 -6.602 -7.487 -2.220 171 HH11 ARG 24 HH11 ARG 24 -7.193 -7.741 -5.682 172 HH12 ARG 24 HH12 ARG 24 -8.617 -8.701 -5.489 173 HH21 ARG 24 HH21 ARG 24 -8.490 -8.747 -1.973 174 HH22 ARG 24 HH22 ARG 24 -9.365 -9.275 -3.371 175 H ALA 25 HN ALA 25 -4.095 -7.301 0.762 176 HA ALA 25 HA ALA 25 -5.486 -4.902 1.235 177 HB1 ALA 25 HB1 ALA 25 -6.239 -7.061 2.098 178 HB2 ALA 25 HB2 ALA 25 -6.072 -5.879 3.397 179 HB3 ALA 25 HB3 ALA 25 -4.842 -7.123 3.172 180 H GLN 26 HN GLN 26 -2.498 -6.203 2.649 181 HA GLN 26 HA GLN 26 -2.106 -4.116 4.497 182 HB2 GLN 26 HB2 GLN 26 -0.987 -6.522 4.097 183 HB3 GLN 26 HB1 GLN 26 0.227 -5.523 3.318 184 HG2 GLN 26 HG2 GLN 26 -0.716 -5.221 6.158 185 HG3 GLN 26 HG1 GLN 26 0.755 -6.033 5.636 186 HE21 GLN 26 HE21 GLN 26 2.461 -4.798 4.868 187 HE22 GLN 26 HE22 GLN 26 2.582 -3.098 5.157 188 H LEU 27 HN LEU 27 -0.971 -4.651 1.179 189 HA LEU 27 HA LEU 27 0.673 -2.352 1.088 190 HB2 LEU 27 HB2 LEU 27 -0.461 -4.130 -1.024 191 HB3 LEU 27 HB1 LEU 27 0.547 -2.744 -1.403 192 HG LEU 27 HG LEU 27 1.461 -4.911 0.468 193 HD11 LEU 27 HD11 LEU 27 2.694 -5.825 -1.435 194 HD12 LEU 27 HD12 LEU 27 1.826 -4.711 -2.497 195 HD13 LEU 27 HD13 LEU 27 0.945 -5.959 -1.612 196 HD21 LEU 27 HD21 LEU 27 3.662 -4.055 -0.062 197 HD22 LEU 27 HD22 LEU 27 2.641 -2.747 0.539 198 HD23 LEU 27 HD23 LEU 27 2.963 -2.900 -1.192 199 H LEU 28 HN LEU 28 -2.674 -2.971 0.134 200 HA LEU 28 HA LEU 28 -3.158 -0.461 -1.042 201 HB2 LEU 28 HB2 LEU 28 -4.908 -2.533 0.200 202 HB3 LEU 28 HB1 LEU 28 -5.569 -0.986 -0.287 203 HG LEU 28 HG LEU 28 -4.065 -2.748 -2.195 204 HD11 LEU 28 HD11 LEU 28 -5.978 -3.948 -1.292 205 HD12 LEU 28 HD12 LEU 28 -6.187 -3.529 -2.992 206 HD13 LEU 28 HD13 LEU 28 -7.026 -2.601 -1.741 207 HD21 LEU 28 HD21 LEU 28 -6.014 -0.477 -2.576 208 HD22 LEU 28 HD22 LEU 28 -5.258 -1.413 -3.865 209 HD23 LEU 28 HD23 LEU 28 -4.270 -0.394 -2.818 210 H THR 29 HN THR 29 -3.300 -1.609 2.268 211 HA THR 29 HA THR 29 -4.361 0.792 3.355 212 HB THR 29 HB THR 29 -2.704 -1.336 4.750 213 HG1 THR 29 HG1 THR 29 -4.544 -2.305 3.890 214 HG21 THR 29 HG21 THR 29 -3.783 -0.536 6.780 215 HG22 THR 29 HG22 THR 29 -4.683 0.662 5.850 216 HG23 THR 29 HG23 THR 29 -2.929 0.785 5.982 217 H ALA 30 HN ALA 30 -1.125 -0.474 2.779 218 HA ALA 30 HA ALA 30 0.369 1.555 4.034 219 HB1 ALA 30 HB1 ALA 30 1.220 -0.657 3.251 220 HB2 ALA 30 HB2 ALA 30 2.223 0.728 2.845 221 HB3 ALA 30 HB3 ALA 30 1.198 -0.009 1.608 222 H ALA 31 HN ALA 31 -1.039 1.283 0.828 223 HA ALA 31 HA ALA 31 0.090 3.521 -0.426 224 HB1 ALA 31 HB1 ALA 31 -1.216 1.823 -1.588 225 HB2 ALA 31 HB2 ALA 31 -1.849 3.442 -1.886 226 HB3 ALA 31 HB3 ALA 31 -2.673 2.368 -0.756 227 H GLU 32 HN GLU 32 -2.810 3.187 1.592 228 HA GLU 32 HA GLU 32 -3.564 5.931 1.435 229 HB2 GLU 32 HB2 GLU 32 -4.352 3.832 3.461 230 HB3 GLU 32 HB1 GLU 32 -5.145 5.382 3.228 231 HG2 GLU 32 HG2 GLU 32 -5.813 4.720 0.985 232 HG3 GLU 32 HG1 GLU 32 -4.984 3.177 1.187 233 H LYS 33 HN LYS 33 -1.744 3.988 3.751 234 HA LYS 33 HA LYS 33 -1.491 5.950 5.752 235 HB2 LYS 33 HB2 LYS 33 0.142 3.515 5.081 236 HB3 LYS 33 HB1 LYS 33 0.559 4.560 6.429 237 HG2 LYS 33 HG2 LYS 33 -1.582 4.132 7.472 238 HG3 LYS 33 HG1 LYS 33 -2.091 3.172 6.083 239 HD2 LYS 33 HD2 LYS 33 -0.363 1.536 6.542 240 HD3 LYS 33 HD1 LYS 33 0.252 2.521 7.872 241 HE2 LYS 33 HE2 LYS 33 -1.785 2.217 9.109 242 HE3 LYS 33 HE1 LYS 33 -2.543 1.390 7.756 243 HZ1 LYS 33 HZ1 LYS 33 -1.817 -0.192 9.390 244 HZ2 LYS 33 HZ2 LYS 33 -0.242 0.414 9.354 245 HZ3 LYS 33 HZ3 LYS 33 -0.871 -0.381 8.000 246 H ALA 34 HN ALA 34 0.536 5.207 2.960 247 HA ALA 34 HA ALA 34 2.560 7.103 3.558 248 HB1 ALA 34 HB1 ALA 34 3.214 6.844 1.213 249 HB2 ALA 34 HB2 ALA 34 1.707 5.983 0.891 250 HB3 ALA 34 HB3 ALA 34 2.907 5.284 1.976 251 H ASP 35 HN ASP 35 -0.490 7.220 1.871 252 HA ASP 35 HA ASP 35 -0.268 9.776 0.729 253 HB2 ASP 35 HB2 ASP 35 -2.019 8.229 0.056 254 HB3 ASP 35 HB1 ASP 35 -2.718 8.279 1.672 255 H GLU 36 HN GLU 36 -1.391 8.689 3.897 256 HA GLU 36 HA GLU 36 -2.302 11.168 4.885 257 HB2 GLU 36 HB2 GLU 36 -1.071 8.865 6.402 258 HB3 GLU 36 HB1 GLU 36 -1.984 10.180 7.120 259 HG2 GLU 36 HG2 GLU 36 -3.980 9.452 5.939 260 HG3 GLU 36 HG1 GLU 36 -3.063 8.154 5.174 261 H LEU 37 HN LEU 37 0.862 9.698 4.706 262 HA LEU 37 HA LEU 37 2.163 11.653 6.349 263 HB2 LEU 37 HB2 LEU 37 3.292 9.634 4.441 264 HB3 LEU 37 HB1 LEU 37 4.218 10.582 5.587 265 HG LEU 37 HG LEU 37 2.142 8.506 6.270 266 HD11 LEU 37 HD11 LEU 37 4.061 7.282 7.146 267 HD12 LEU 37 HD12 LEU 37 5.119 8.562 6.537 268 HD13 LEU 37 HD13 LEU 37 4.181 7.584 5.409 269 HD21 LEU 37 HD21 LEU 37 2.889 8.850 8.592 270 HD22 LEU 37 HD22 LEU 37 2.128 10.290 7.921 271 HD23 LEU 37 HD23 LEU 37 3.884 10.205 8.060 272 H GLY 38 HN GLY 38 1.083 11.551 3.155 273 HA2 GLY 38 HA2 GLY 38 1.179 13.118 1.487 274 HA3 GLY 38 HA1 GLY 38 2.045 14.163 2.600 Start of MODEL 7 1 H1 SER 1 HN SER 1 2.329 10.159 1.540 2 HA SER 1 HA SER 1 4.191 11.442 -0.305 3 HB2 SER 1 HB2 SER 1 5.469 9.259 0.053 4 HB3 SER 1 HB1 SER 1 5.305 10.312 1.459 5 HG SER 1 HG SER 1 3.334 8.386 1.026 6 HA PRO 2 HA PRO 2 1.546 9.514 -3.444 7 HB2 PRO 2 HB2 PRO 2 2.801 10.695 -5.570 8 HB3 PRO 2 HB1 PRO 2 1.548 11.482 -4.604 9 HG2 PRO 2 HG2 PRO 2 4.521 11.760 -4.445 10 HG3 PRO 2 HG1 PRO 2 3.271 13.012 -4.333 11 HD2 PRO 2 HD2 PRO 2 4.512 12.018 -2.161 12 HD3 PRO 2 HD1 PRO 2 2.815 12.534 -2.120 13 H GLU 3 HN GLU 3 5.086 9.733 -3.825 14 HA GLU 3 HA GLU 3 5.221 7.593 -5.694 15 HB2 GLU 3 HB2 GLU 3 7.356 8.887 -4.007 16 HB3 GLU 3 HB1 GLU 3 7.671 7.681 -5.241 17 HG2 GLU 3 HG2 GLU 3 6.383 10.352 -5.704 18 HG3 GLU 3 HG1 GLU 3 8.060 9.938 -6.056 19 H GLU 4 HN GLU 4 5.739 7.845 -2.227 20 HA GLU 4 HA GLU 4 6.569 5.172 -1.839 21 HB2 GLU 4 HB2 GLU 4 5.135 7.013 0.086 22 HB3 GLU 4 HB1 GLU 4 6.001 5.547 0.521 23 HG2 GLU 4 HG2 GLU 4 7.253 7.975 -0.741 24 HG3 GLU 4 HG1 GLU 4 7.269 7.606 0.983 25 H ARG 5 HN ARG 5 3.419 6.779 -1.783 26 HA ARG 5 HA ARG 5 1.878 4.579 -1.053 27 HB2 ARG 5 HB2 ARG 5 1.078 6.910 -1.046 28 HB3 ARG 5 HB1 ARG 5 1.135 6.925 -2.802 29 HG2 ARG 5 HG2 ARG 5 -0.554 5.164 -2.875 30 HG3 ARG 5 HG1 ARG 5 -0.579 5.155 -1.109 31 HD2 ARG 5 HD2 ARG 5 -2.448 6.452 -2.077 32 HD3 ARG 5 HD1 ARG 5 -1.388 7.430 -1.064 33 HE ARG 5 HE ARG 5 -0.646 7.518 -3.820 34 HH11 ARG 5 HH11 ARG 5 -2.933 8.834 -1.483 35 HH12 ARG 5 HH12 ARG 5 -3.105 10.341 -2.319 36 HH21 ARG 5 HH21 ARG 5 -0.911 9.518 -4.937 37 HH22 ARG 5 HH22 ARG 5 -1.971 10.723 -4.293 38 H ALA 6 HN ALA 6 2.997 5.752 -4.181 39 HA ALA 6 HA ALA 6 1.458 4.079 -5.807 40 HB1 ALA 6 HB1 ALA 6 3.059 4.565 -7.561 41 HB2 ALA 6 HB2 ALA 6 4.217 5.150 -6.366 42 HB3 ALA 6 HB3 ALA 6 2.707 6.021 -6.630 43 H GLN 7 HN GLN 7 4.651 3.545 -4.365 44 HA GLN 7 HA GLN 7 5.073 1.050 -5.667 45 HB2 GLN 7 HB2 GLN 7 6.313 2.113 -3.125 46 HB3 GLN 7 HB1 GLN 7 6.894 0.736 -4.049 47 HG2 GLN 7 HG2 GLN 7 6.817 3.605 -4.949 48 HG3 GLN 7 HG1 GLN 7 8.244 2.666 -4.518 49 HE21 GLN 7 HE21 GLN 7 7.612 4.031 -6.993 50 HE22 GLN 7 HE22 GLN 7 7.653 2.831 -8.236 51 H LEU 8 HN LEU 8 3.891 1.938 -2.465 52 HA LEU 8 HA LEU 8 3.559 -0.733 -1.573 53 HB2 LEU 8 HB2 LEU 8 2.486 1.882 -0.572 54 HB3 LEU 8 HB1 LEU 8 2.205 0.352 0.239 55 HG LEU 8 HG LEU 8 4.974 1.406 -0.319 56 HD11 LEU 8 HD11 LEU 8 3.293 1.724 2.149 57 HD12 LEU 8 HD12 LEU 8 3.834 3.007 1.064 58 HD13 LEU 8 HD13 LEU 8 5.011 2.108 2.023 59 HD21 LEU 8 HD21 LEU 8 4.820 -0.991 0.097 60 HD22 LEU 8 HD22 LEU 8 3.912 -0.677 1.578 61 HD23 LEU 8 HD23 LEU 8 5.594 -0.169 1.453 62 H LEU 9 HN LEU 9 1.390 1.600 -3.116 63 HA LEU 9 HA LEU 9 -0.991 0.192 -2.708 64 HB2 LEU 9 HB2 LEU 9 -0.685 2.608 -3.306 65 HB3 LEU 9 HB1 LEU 9 -0.347 2.076 -4.943 66 HG LEU 9 HG LEU 9 -2.556 0.853 -4.716 67 HD11 LEU 9 HD11 LEU 9 -2.842 2.923 -2.568 68 HD12 LEU 9 HD12 LEU 9 -3.055 1.174 -2.430 69 HD13 LEU 9 HD13 LEU 9 -4.213 2.136 -3.346 70 HD21 LEU 9 HD21 LEU 9 -3.749 2.828 -5.586 71 HD22 LEU 9 HD22 LEU 9 -2.148 2.616 -6.299 72 HD23 LEU 9 HD23 LEU 9 -2.401 3.830 -5.044 73 H THR 10 HN THR 10 1.320 0.287 -5.422 74 HA THR 10 HA THR 10 -0.171 -1.426 -7.089 75 HB THR 10 HB THR 10 2.063 -1.881 -8.210 76 HG1 THR 10 HG1 THR 10 3.111 0.252 -6.722 77 HG21 THR 10 HG21 THR 10 0.542 -0.094 -8.941 78 HG22 THR 10 HG22 THR 10 2.231 0.371 -9.140 79 HG23 THR 10 HG23 THR 10 1.293 1.011 -7.790 80 H ALA 11 HN ALA 11 2.248 -2.015 -4.608 81 HA ALA 11 HA ALA 11 2.540 -4.794 -4.980 82 HB1 ALA 11 HB1 ALA 11 3.441 -4.812 -2.740 83 HB2 ALA 11 HB2 ALA 11 2.773 -3.206 -2.434 84 HB3 ALA 11 HB3 ALA 11 4.056 -3.417 -3.625 85 H ALA 12 HN ALA 12 0.258 -2.866 -3.113 86 HA ALA 12 HA ALA 12 -1.144 -4.951 -1.825 87 HB1 ALA 12 HB1 ALA 12 -1.383 -2.617 -1.196 88 HB2 ALA 12 HB2 ALA 12 -2.949 -3.305 -1.628 89 HB3 ALA 12 HB3 ALA 12 -2.106 -2.252 -2.762 90 H GLU 13 HN GLU 13 -1.635 -3.326 -4.928 91 HA GLU 13 HA GLU 13 -3.925 -4.756 -5.736 92 HB2 GLU 13 HB2 GLU 13 -1.772 -3.506 -7.453 93 HB3 GLU 13 HB1 GLU 13 -3.378 -3.969 -7.993 94 HG2 GLU 13 HG2 GLU 13 -2.736 -1.840 -5.969 95 HG3 GLU 13 HG1 GLU 13 -3.205 -1.573 -7.646 96 H LYS 14 HN LYS 14 -0.476 -5.308 -6.188 97 HA LYS 14 HA LYS 14 -0.692 -7.485 -7.957 98 HB2 LYS 14 HB2 LYS 14 1.505 -6.532 -6.158 99 HB3 LYS 14 HB1 LYS 14 1.695 -7.945 -7.185 100 HG2 LYS 14 HG2 LYS 14 1.176 -6.567 -9.141 101 HG3 LYS 14 HG1 LYS 14 1.042 -5.158 -8.091 102 HD2 LYS 14 HD2 LYS 14 3.369 -5.411 -7.438 103 HD3 LYS 14 HD1 LYS 14 3.509 -6.846 -8.458 104 HE2 LYS 14 HE2 LYS 14 2.824 -4.076 -9.392 105 HE3 LYS 14 HE1 LYS 14 4.400 -4.852 -9.569 106 HZ1 LYS 14 HZ1 LYS 14 3.272 -6.578 -10.916 107 HZ2 LYS 14 HZ2 LYS 14 3.186 -5.044 -11.611 108 HZ3 LYS 14 HZ3 LYS 14 1.841 -5.688 -10.821 109 H ALA 15 HN ALA 15 -0.257 -7.360 -4.429 110 HA ALA 15 HA ALA 15 -0.136 -10.155 -4.048 111 HB1 ALA 15 HB1 ALA 15 0.576 -8.609 -2.329 112 HB2 ALA 15 HB2 ALA 15 -0.699 -9.656 -1.701 113 HB3 ALA 15 HB3 ALA 15 -1.067 -7.994 -2.166 114 H ASP 16 HN ASP 16 -2.779 -7.888 -4.269 115 HA ASP 16 HA ASP 16 -4.887 -9.622 -3.548 116 HB2 ASP 16 HB2 ASP 16 -5.161 -7.201 -3.647 117 HB3 ASP 16 HB1 ASP 16 -4.850 -7.215 -5.373 118 H GLU 17 HN GLU 17 -3.274 -8.890 -6.564 119 HA GLU 17 HA GLU 17 -4.953 -10.422 -8.239 120 HB2 GLU 17 HB2 GLU 17 -3.496 -8.541 -8.971 121 HB3 GLU 17 HB1 GLU 17 -2.093 -9.556 -8.668 122 HG2 GLU 17 HG2 GLU 17 -2.517 -9.645 -10.980 123 HG3 GLU 17 HG1 GLU 17 -3.039 -11.175 -10.267 124 H LEU 18 HN LEU 18 -2.144 -11.112 -6.282 125 HA LEU 18 HA LEU 18 -1.611 -13.668 -7.490 126 HB2 LEU 18 HB2 LEU 18 -0.614 -12.486 -4.910 127 HB3 LEU 18 HB1 LEU 18 0.003 -13.934 -5.673 128 HG LEU 18 HG LEU 18 0.207 -11.117 -6.725 129 HD11 LEU 18 HD11 LEU 18 1.727 -11.618 -4.918 130 HD12 LEU 18 HD12 LEU 18 2.600 -11.485 -6.448 131 HD13 LEU 18 HD13 LEU 18 2.260 -13.074 -5.757 132 HD21 LEU 18 HD21 LEU 18 -0.143 -12.684 -8.568 133 HD22 LEU 18 HD22 LEU 18 1.177 -13.688 -7.965 134 HD23 LEU 18 HD23 LEU 18 1.506 -12.061 -8.557 135 H GLY 19 HN GLY 19 -3.751 -12.458 -5.152 136 HA2 GLY 19 HA2 GLY 19 -5.452 -13.545 -4.033 137 HA3 GLY 19 HA1 GLY 19 -4.855 -15.066 -4.681 138 H CYS 20 HN CYS 20 -2.740 -12.921 -2.955 139 HA CYS 20 HA CYS 20 -2.573 -14.915 -0.808 140 HB2 CYS 20 HB2 CYS 20 -0.482 -14.469 -2.011 141 HB3 CYS 20 HB1 CYS 20 -0.616 -12.759 -1.621 142 HG CYS 20 HG CYS 20 1.370 -13.815 -0.037 143 HA PRO 21 HA PRO 21 -4.945 -11.768 1.410 144 HB2 PRO 21 HB2 PRO 21 -4.781 -13.789 3.559 145 HB3 PRO 21 HB1 PRO 21 -6.200 -13.016 2.845 146 HG2 PRO 21 HG2 PRO 21 -5.614 -15.565 2.318 147 HG3 PRO 21 HG1 PRO 21 -6.277 -14.496 1.069 148 HD2 PRO 21 HD2 PRO 21 -3.451 -15.390 1.492 149 HD3 PRO 21 HD1 PRO 21 -4.369 -15.218 -0.021 150 H GLU 22 HN GLU 22 -2.262 -13.598 2.903 151 HA GLU 22 HA GLU 22 -1.866 -11.859 5.081 152 HB2 GLU 22 HB2 GLU 22 0.165 -13.624 3.717 153 HB3 GLU 22 HB1 GLU 22 0.331 -12.915 5.315 154 HG2 GLU 22 HG2 GLU 22 -1.623 -14.209 6.061 155 HG3 GLU 22 HG1 GLU 22 -1.704 -14.960 4.466 156 H GLU 23 HN GLU 23 -0.309 -11.974 1.901 157 HA GLU 23 HA GLU 23 1.350 -9.716 2.447 158 HB2 GLU 23 HB2 GLU 23 0.662 -11.146 -0.121 159 HB3 GLU 23 HB1 GLU 23 1.779 -9.791 -0.039 160 HG2 GLU 23 HG2 GLU 23 3.250 -11.042 1.409 161 HG3 GLU 23 HG1 GLU 23 2.103 -12.379 1.461 162 H ARG 24 HN ARG 24 -1.724 -10.239 0.827 163 HA ARG 24 HA ARG 24 -2.040 -7.729 -0.348 164 HB2 ARG 24 HB2 ARG 24 -3.443 -9.656 -0.870 165 HB3 ARG 24 HB1 ARG 24 -4.120 -9.618 0.749 166 HG2 ARG 24 HG2 ARG 24 -5.006 -7.344 0.228 167 HG3 ARG 24 HG1 ARG 24 -4.483 -7.605 -1.439 168 HD2 ARG 24 HD2 ARG 24 -5.912 -9.535 -1.631 169 HD3 ARG 24 HD1 ARG 24 -6.356 -9.420 0.069 170 HE ARG 24 HE ARG 24 -7.276 -7.721 -2.117 171 HH11 ARG 24 HH11 ARG 24 -7.277 -8.431 1.325 172 HH12 ARG 24 HH12 ARG 24 -8.701 -7.511 1.652 173 HH21 ARG 24 HH21 ARG 24 -9.156 -6.476 -1.679 174 HH22 ARG 24 HH22 ARG 24 -9.773 -6.387 -0.065 175 H ALA 25 HN ALA 25 -2.986 -8.880 2.874 176 HA ALA 25 HA ALA 25 -4.296 -6.489 3.642 177 HB1 ALA 25 HB1 ALA 25 -4.227 -7.403 5.901 178 HB2 ALA 25 HB2 ALA 25 -3.068 -8.626 5.380 179 HB3 ALA 25 HB3 ALA 25 -4.711 -8.637 4.738 180 H GLN 26 HN GLN 26 -1.005 -7.688 4.124 181 HA GLN 26 HA GLN 26 -0.133 -5.621 5.815 182 HB2 GLN 26 HB2 GLN 26 0.956 -7.850 5.498 183 HB3 GLN 26 HB1 GLN 26 1.508 -7.304 3.921 184 HG2 GLN 26 HG2 GLN 26 3.309 -7.045 5.423 185 HG3 GLN 26 HG1 GLN 26 2.665 -5.441 5.068 186 HE21 GLN 26 HE21 GLN 26 3.514 -4.583 6.955 187 HE22 GLN 26 HE22 GLN 26 2.843 -4.920 8.507 188 H LEU 27 HN LEU 27 -0.026 -6.080 2.319 189 HA LEU 27 HA LEU 27 1.465 -3.720 1.820 190 HB2 LEU 27 HB2 LEU 27 -0.085 -5.553 0.043 191 HB3 LEU 27 HB1 LEU 27 0.826 -4.173 -0.549 192 HG LEU 27 HG LEU 27 2.113 -6.333 1.101 193 HD11 LEU 27 HD11 LEU 27 1.877 -6.161 -1.878 194 HD12 LEU 27 HD12 LEU 27 1.131 -7.369 -0.829 195 HD13 LEU 27 HD13 LEU 27 2.888 -7.299 -0.985 196 HD21 LEU 27 HD21 LEU 27 4.151 -5.493 0.102 197 HD22 LEU 27 HD22 LEU 27 3.286 -4.173 0.893 198 HD23 LEU 27 HD23 LEU 27 3.228 -4.347 -0.865 199 H LEU 28 HN LEU 28 -1.994 -4.496 1.774 200 HA LEU 28 HA LEU 28 -2.854 -2.082 0.608 201 HB2 LEU 28 HB2 LEU 28 -4.173 -4.158 2.274 202 HB3 LEU 28 HB1 LEU 28 -5.005 -2.648 1.954 203 HG LEU 28 HG LEU 28 -3.922 -4.392 -0.243 204 HD11 LEU 28 HD11 LEU 28 -6.708 -4.307 0.853 205 HD12 LEU 28 HD12 LEU 28 -5.541 -5.603 1.125 206 HD13 LEU 28 HD13 LEU 28 -6.123 -5.270 -0.508 207 HD21 LEU 28 HD21 LEU 28 -4.357 -2.033 -0.796 208 HD22 LEU 28 HD22 LEU 28 -6.009 -2.215 -0.210 209 HD23 LEU 28 HD23 LEU 28 -5.468 -3.125 -1.620 210 H THR 29 HN THR 29 -2.316 -2.996 3.972 211 HA THR 29 HA THR 29 -3.232 -0.528 5.020 212 HB THR 29 HB THR 29 -1.847 -1.254 7.065 213 HG1 THR 29 HG1 THR 29 -1.824 -3.804 5.857 214 HG21 THR 29 HG21 THR 29 -3.965 -3.127 6.002 215 HG22 THR 29 HG22 THR 29 -4.273 -1.610 6.844 216 HG23 THR 29 HG23 THR 29 -3.493 -2.945 7.691 217 H ALA 30 HN ALA 30 -0.159 -1.698 3.840 218 HA ALA 30 HA ALA 30 1.454 0.477 4.681 219 HB1 ALA 30 HB1 ALA 30 3.090 -0.358 3.205 220 HB2 ALA 30 HB2 ALA 30 1.888 -1.221 2.242 221 HB3 ALA 30 HB3 ALA 30 2.262 -1.761 3.880 222 H ALA 31 HN ALA 31 -0.408 -0.190 1.769 223 HA ALA 31 HA ALA 31 0.265 2.047 0.220 224 HB1 ALA 31 HB1 ALA 31 -2.371 0.599 0.366 225 HB2 ALA 31 HB2 ALA 31 -0.979 0.104 -0.597 226 HB3 ALA 31 HB3 ALA 31 -1.803 1.624 -0.953 227 H GLU 32 HN GLU 32 -2.248 1.556 2.654 228 HA GLU 32 HA GLU 32 -3.394 4.148 2.411 229 HB2 GLU 32 HB2 GLU 32 -4.527 2.078 3.298 230 HB3 GLU 32 HB1 GLU 32 -3.575 2.261 4.761 231 HG2 GLU 32 HG2 GLU 32 -5.790 3.145 5.094 232 HG3 GLU 32 HG1 GLU 32 -4.609 4.453 5.140 233 H LYS 33 HN LYS 33 -0.861 2.739 4.405 234 HA LYS 33 HA LYS 33 -0.622 4.828 6.287 235 HB2 LYS 33 HB2 LYS 33 0.404 2.656 6.677 236 HB3 LYS 33 HB1 LYS 33 1.461 2.876 5.289 237 HG2 LYS 33 HG2 LYS 33 2.544 4.763 6.413 238 HG3 LYS 33 HG1 LYS 33 1.489 4.536 7.806 239 HD2 LYS 33 HD2 LYS 33 3.434 2.484 6.745 240 HD3 LYS 33 HD1 LYS 33 3.730 3.545 8.122 241 HE2 LYS 33 HE2 LYS 33 1.777 2.557 9.264 242 HE3 LYS 33 HE1 LYS 33 1.555 1.463 7.901 243 HZ1 LYS 33 HZ1 LYS 33 3.938 1.587 9.663 244 HZ2 LYS 33 HZ2 LYS 33 3.754 0.552 8.338 245 HZ3 LYS 33 HZ3 LYS 33 2.748 0.386 9.684 246 H ALA 34 HN ALA 34 1.158 4.190 3.279 247 HA ALA 34 HA ALA 34 2.748 6.506 3.342 248 HB1 ALA 34 HB1 ALA 34 3.268 4.660 1.885 249 HB2 ALA 34 HB2 ALA 34 3.044 6.121 0.922 250 HB3 ALA 34 HB3 ALA 34 1.770 4.901 0.990 251 H ASP 35 HN ASP 35 -0.482 5.897 2.168 252 HA ASP 35 HA ASP 35 -0.936 8.331 0.837 253 HB2 ASP 35 HB2 ASP 35 -2.418 6.383 0.613 254 HB3 ASP 35 HB1 ASP 35 -2.888 6.541 2.301 255 H GLU 36 HN GLU 36 -1.374 7.337 4.206 256 HA GLU 36 HA GLU 36 -2.513 9.723 5.152 257 HB2 GLU 36 HB2 GLU 36 -2.447 7.448 6.282 258 HB3 GLU 36 HB1 GLU 36 -0.791 7.823 6.734 259 HG2 GLU 36 HG2 GLU 36 -1.600 9.819 7.919 260 HG3 GLU 36 HG1 GLU 36 -3.247 9.345 7.500 261 H LEU 37 HN LEU 37 0.775 8.684 4.613 262 HA LEU 37 HA LEU 37 2.027 10.839 6.019 263 HB2 LEU 37 HB2 LEU 37 3.108 9.017 3.892 264 HB3 LEU 37 HB1 LEU 37 4.059 10.091 4.895 265 HG LEU 37 HG LEU 37 2.487 7.702 5.849 266 HD11 LEU 37 HD11 LEU 37 5.431 8.217 5.646 267 HD12 LEU 37 HD12 LEU 37 4.490 7.167 4.587 268 HD13 LEU 37 HD13 LEU 37 4.675 6.761 6.298 269 HD21 LEU 37 HD21 LEU 37 4.243 9.633 7.366 270 HD22 LEU 37 HD22 LEU 37 3.574 8.136 8.012 271 HD23 LEU 37 HD23 LEU 37 2.498 9.449 7.539 272 H GLY 38 HN GLY 38 0.427 10.550 3.066 273 HA2 GLY 38 HA2 GLY 38 0.022 12.109 1.427 274 HA3 GLY 38 HA1 GLY 38 1.030 13.240 2.322 Start of MODEL 8 1 H1 SER 1 HN SER 1 2.515 10.134 1.627 2 HA SER 1 HA SER 1 4.583 11.225 -0.130 3 HB2 SER 1 HB2 SER 1 4.449 8.530 1.247 4 HB3 SER 1 HB1 SER 1 5.852 9.218 0.429 5 HG SER 1 HG SER 1 6.065 9.590 2.615 6 HA PRO 2 HA PRO 2 1.932 9.328 -3.354 7 HB2 PRO 2 HB2 PRO 2 3.755 10.845 -5.119 8 HB3 PRO 2 HB1 PRO 2 1.991 10.873 -5.032 9 HG2 PRO 2 HG2 PRO 2 3.427 12.920 -4.123 10 HG3 PRO 2 HG1 PRO 2 1.968 12.380 -3.272 11 HD2 PRO 2 HD2 PRO 2 4.846 11.827 -2.629 12 HD3 PRO 2 HD1 PRO 2 3.518 12.291 -1.541 13 H GLU 3 HN GLU 3 5.467 9.687 -3.667 14 HA GLU 3 HA GLU 3 5.827 7.669 -5.566 15 HB2 GLU 3 HB2 GLU 3 8.198 7.615 -4.793 16 HB3 GLU 3 HB1 GLU 3 7.605 9.227 -5.160 17 HG2 GLU 3 HG2 GLU 3 7.352 9.707 -2.807 18 HG3 GLU 3 HG1 GLU 3 7.815 8.058 -2.394 19 H GLU 4 HN GLU 4 5.887 7.497 -2.037 20 HA GLU 4 HA GLU 4 6.493 4.717 -1.999 21 HB2 GLU 4 HB2 GLU 4 5.315 6.442 0.178 22 HB3 GLU 4 HB1 GLU 4 5.992 4.833 0.391 23 HG2 GLU 4 HG2 GLU 4 8.161 5.775 -0.498 24 HG3 GLU 4 HG1 GLU 4 7.426 7.368 -0.326 25 H ARG 5 HN ARG 5 3.535 6.638 -1.806 26 HA ARG 5 HA ARG 5 1.786 4.573 -1.155 27 HB2 ARG 5 HB2 ARG 5 1.222 6.972 -1.053 28 HB3 ARG 5 HB1 ARG 5 1.240 7.036 -2.811 29 HG2 ARG 5 HG2 ARG 5 -0.598 5.426 -2.884 30 HG3 ARG 5 HG1 ARG 5 -0.594 5.389 -1.118 31 HD2 ARG 5 HD2 ARG 5 -2.357 6.856 -1.977 32 HD3 ARG 5 HD1 ARG 5 -1.158 7.756 -1.052 33 HE ARG 5 HE ARG 5 -0.421 7.830 -3.748 34 HH11 ARG 5 HH11 ARG 5 -3.014 9.029 -1.681 35 HH12 ARG 5 HH12 ARG 5 -3.293 10.429 -2.663 36 HH21 ARG 5 HH21 ARG 5 -0.812 9.684 -5.032 37 HH22 ARG 5 HH22 ARG 5 -2.052 10.799 -4.570 38 H ALA 6 HN ALA 6 2.881 5.795 -4.296 39 HA ALA 6 HA ALA 6 1.197 4.224 -5.887 40 HB1 ALA 6 HB1 ALA 6 2.765 4.672 -7.697 41 HB2 ALA 6 HB2 ALA 6 3.970 5.219 -6.532 42 HB3 ALA 6 HB3 ALA 6 2.474 6.127 -6.745 43 H GLN 7 HN GLN 7 4.432 3.553 -4.598 44 HA GLN 7 HA GLN 7 4.700 1.050 -5.912 45 HB2 GLN 7 HB2 GLN 7 6.638 2.341 -5.165 46 HB3 GLN 7 HB1 GLN 7 6.133 2.157 -3.493 47 HG2 GLN 7 HG2 GLN 7 7.952 0.639 -4.072 48 HG3 GLN 7 HG1 GLN 7 6.483 -0.221 -3.613 49 HE21 GLN 7 HE21 GLN 7 7.109 -2.079 -4.683 50 HE22 GLN 7 HE22 GLN 7 7.103 -2.208 -6.406 51 H LEU 8 HN LEU 8 3.726 1.998 -2.648 52 HA LEU 8 HA LEU 8 3.464 -0.646 -1.667 53 HB2 LEU 8 HB2 LEU 8 2.366 1.963 -0.676 54 HB3 LEU 8 HB1 LEU 8 2.256 0.448 0.203 55 HG LEU 8 HG LEU 8 4.886 1.657 -0.630 56 HD11 LEU 8 HD11 LEU 8 3.395 1.963 1.958 57 HD12 LEU 8 HD12 LEU 8 3.780 3.232 0.796 58 HD13 LEU 8 HD13 LEU 8 5.075 2.430 1.686 59 HD21 LEU 8 HD21 LEU 8 4.142 -0.432 1.410 60 HD22 LEU 8 HD22 LEU 8 5.768 0.189 1.126 61 HD23 LEU 8 HD23 LEU 8 4.943 -0.728 -0.135 62 H LEU 9 HN LEU 9 1.165 1.641 -3.105 63 HA LEU 9 HA LEU 9 -1.135 0.149 -2.497 64 HB2 LEU 9 HB2 LEU 9 -1.198 2.512 -2.950 65 HB3 LEU 9 HB1 LEU 9 -0.609 2.240 -4.579 66 HG LEU 9 HG LEU 9 -2.607 0.919 -5.004 67 HD11 LEU 9 HD11 LEU 9 -3.253 0.334 -2.752 68 HD12 LEU 9 HD12 LEU 9 -4.566 1.216 -3.531 69 HD13 LEU 9 HD13 LEU 9 -3.523 2.033 -2.366 70 HD21 LEU 9 HD21 LEU 9 -4.091 2.862 -5.274 71 HD22 LEU 9 HD22 LEU 9 -2.428 3.197 -5.765 72 HD23 LEU 9 HD23 LEU 9 -3.024 3.778 -4.209 73 H THR 10 HN THR 10 1.003 0.281 -5.332 74 HA THR 10 HA THR 10 -0.591 -1.453 -6.899 75 HB THR 10 HB THR 10 1.596 -1.847 -8.176 76 HG1 THR 10 HG1 THR 10 2.594 0.411 -6.844 77 HG21 THR 10 HG21 THR 10 -0.092 -0.219 -8.885 78 HG22 THR 10 HG22 THR 10 1.536 0.392 -9.181 79 HG23 THR 10 HG23 THR 10 0.608 0.986 -7.804 80 H ALA 11 HN ALA 11 1.960 -1.957 -4.553 81 HA ALA 11 HA ALA 11 2.379 -4.711 -4.958 82 HB1 ALA 11 HB1 ALA 11 3.837 -3.254 -3.610 83 HB2 ALA 11 HB2 ALA 11 3.338 -4.710 -2.752 84 HB3 ALA 11 HB3 ALA 11 2.570 -3.161 -2.385 85 H ALA 12 HN ALA 12 0.065 -2.920 -3.008 86 HA ALA 12 HA ALA 12 -1.211 -5.043 -1.665 87 HB1 ALA 12 HB1 ALA 12 -2.306 -2.412 -2.637 88 HB2 ALA 12 HB2 ALA 12 -1.553 -2.724 -1.072 89 HB3 ALA 12 HB3 ALA 12 -3.092 -3.482 -1.479 90 H GLU 13 HN GLU 13 -1.756 -3.568 -4.824 91 HA GLU 13 HA GLU 13 -4.034 -5.131 -5.478 92 HB2 GLU 13 HB2 GLU 13 -3.535 -2.946 -6.509 93 HB3 GLU 13 HB1 GLU 13 -2.136 -3.652 -7.302 94 HG2 GLU 13 HG2 GLU 13 -3.549 -5.103 -8.600 95 HG3 GLU 13 HG1 GLU 13 -4.977 -4.539 -7.734 96 H LYS 14 HN LYS 14 -0.572 -5.440 -6.188 97 HA LYS 14 HA LYS 14 -0.785 -7.650 -7.947 98 HB2 LYS 14 HB2 LYS 14 1.393 -6.331 -6.441 99 HB3 LYS 14 HB1 LYS 14 1.679 -8.011 -6.860 100 HG2 LYS 14 HG2 LYS 14 2.624 -6.565 -8.538 101 HG3 LYS 14 HG1 LYS 14 1.276 -7.467 -9.225 102 HD2 LYS 14 HD2 LYS 14 -0.171 -5.524 -8.977 103 HD3 LYS 14 HD1 LYS 14 1.147 -4.622 -8.225 104 HE2 LYS 14 HE2 LYS 14 1.137 -5.716 -11.035 105 HE3 LYS 14 HE1 LYS 14 0.869 -4.033 -10.586 106 HZ1 LYS 14 HZ1 LYS 14 3.142 -4.398 -11.294 107 HZ2 LYS 14 HZ2 LYS 14 3.360 -5.577 -10.104 108 HZ3 LYS 14 HZ3 LYS 14 3.105 -3.969 -9.662 109 H ALA 15 HN ALA 15 -0.256 -7.489 -4.440 110 HA ALA 15 HA ALA 15 -0.009 -10.261 -4.043 111 HB1 ALA 15 HB1 ALA 15 0.589 -8.655 -2.324 112 HB2 ALA 15 HB2 ALA 15 -0.614 -9.789 -1.705 113 HB3 ALA 15 HB3 ALA 15 -1.095 -8.158 -2.175 114 H ASP 16 HN ASP 16 -2.789 -8.148 -4.294 115 HA ASP 16 HA ASP 16 -4.769 -10.039 -3.576 116 HB2 ASP 16 HB2 ASP 16 -5.272 -7.667 -3.614 117 HB3 ASP 16 HB1 ASP 16 -4.906 -7.583 -5.331 118 H GLU 17 HN GLU 17 -3.427 -9.002 -6.653 119 HA GLU 17 HA GLU 17 -4.964 -10.620 -8.349 120 HB2 GLU 17 HB2 GLU 17 -2.211 -9.451 -8.650 121 HB3 GLU 17 HB1 GLU 17 -3.025 -10.284 -9.955 122 HG2 GLU 17 HG2 GLU 17 -4.861 -8.630 -9.794 123 HG3 GLU 17 HG1 GLU 17 -3.921 -7.771 -8.573 124 H LEU 18 HN LEU 18 -2.007 -11.286 -6.581 125 HA LEU 18 HA LEU 18 -1.610 -13.842 -7.866 126 HB2 LEU 18 HB2 LEU 18 -0.200 -12.268 -5.795 127 HB3 LEU 18 HB1 LEU 18 0.050 -13.999 -5.798 128 HG LEU 18 HG LEU 18 0.772 -13.838 -8.182 129 HD11 LEU 18 HD11 LEU 18 -0.358 -11.784 -8.787 130 HD12 LEU 18 HD12 LEU 18 1.379 -11.650 -9.074 131 HD13 LEU 18 HD13 LEU 18 0.654 -10.879 -7.661 132 HD21 LEU 18 HD21 LEU 18 2.960 -12.890 -7.683 133 HD22 LEU 18 HD22 LEU 18 2.379 -13.938 -6.387 134 HD23 LEU 18 HD23 LEU 18 2.312 -12.185 -6.200 135 H GLY 19 HN GLY 19 -3.665 -12.756 -5.504 136 HA2 GLY 19 HA2 GLY 19 -5.161 -13.927 -4.202 137 HA3 GLY 19 HA1 GLY 19 -4.442 -15.418 -4.789 138 H CYS 20 HN CYS 20 -2.615 -12.865 -3.280 139 HA CYS 20 HA CYS 20 -1.984 -14.663 -1.047 140 HB2 CYS 20 HB2 CYS 20 -0.612 -12.147 -2.021 141 HB3 CYS 20 HB1 CYS 20 -0.064 -13.135 -0.676 142 HG CYS 20 HG CYS 20 1.652 -14.124 -2.310 143 HA PRO 21 HA PRO 21 -5.016 -11.867 0.939 144 HB2 PRO 21 HB2 PRO 21 -4.905 -13.908 3.063 145 HB3 PRO 21 HB1 PRO 21 -6.295 -13.306 2.155 146 HG2 PRO 21 HG2 PRO 21 -5.315 -15.763 1.736 147 HG3 PRO 21 HG1 PRO 21 -5.964 -14.782 0.409 148 HD2 PRO 21 HD2 PRO 21 -3.113 -15.278 1.181 149 HD3 PRO 21 HD1 PRO 21 -3.855 -15.246 -0.433 150 H GLU 22 HN GLU 22 -2.350 -13.489 2.659 151 HA GLU 22 HA GLU 22 -2.375 -11.665 4.842 152 HB2 GLU 22 HB2 GLU 22 -0.178 -13.513 3.917 153 HB3 GLU 22 HB1 GLU 22 -0.249 -12.700 5.471 154 HG2 GLU 22 HG2 GLU 22 -2.225 -13.941 6.076 155 HG3 GLU 22 HG1 GLU 22 -2.262 -14.700 4.485 156 H GLU 23 HN GLU 23 -0.373 -11.975 1.943 157 HA GLU 23 HA GLU 23 1.266 -9.755 2.534 158 HB2 GLU 23 HB2 GLU 23 0.605 -11.060 -0.110 159 HB3 GLU 23 HB1 GLU 23 1.806 -9.791 0.082 160 HG2 GLU 23 HG2 GLU 23 3.031 -11.252 1.656 161 HG3 GLU 23 HG1 GLU 23 1.867 -12.530 1.322 162 H ARG 24 HN ARG 24 -1.781 -10.111 0.801 163 HA ARG 24 HA ARG 24 -1.936 -7.545 -0.288 164 HB2 ARG 24 HB2 ARG 24 -3.425 -9.374 -0.951 165 HB3 ARG 24 HB1 ARG 24 -4.167 -9.362 0.642 166 HG2 ARG 24 HG2 ARG 24 -4.974 -7.083 0.229 167 HG3 ARG 24 HG1 ARG 24 -4.257 -7.144 -1.381 168 HD2 ARG 24 HD2 ARG 24 -6.630 -7.625 -1.508 169 HD3 ARG 24 HD1 ARG 24 -5.695 -9.055 -1.935 170 HE ARG 24 HE ARG 24 -6.384 -9.044 0.831 171 HH11 ARG 24 HH11 ARG 24 -7.708 -9.663 -2.375 172 HH12 ARG 24 HH12 ARG 24 -8.901 -10.776 -1.795 173 HH21 ARG 24 HH21 ARG 24 -7.974 -10.506 1.584 174 HH22 ARG 24 HH22 ARG 24 -9.058 -11.258 0.466 175 H ALA 25 HN ALA 25 -3.056 -8.798 2.837 176 HA ALA 25 HA ALA 25 -4.315 -6.430 3.685 177 HB1 ALA 25 HB1 ALA 25 -3.080 -8.592 5.386 178 HB2 ALA 25 HB2 ALA 25 -4.709 -8.625 4.711 179 HB3 ALA 25 HB3 ALA 25 -4.276 -7.404 5.909 180 H GLN 26 HN GLN 26 -1.039 -7.648 4.185 181 HA GLN 26 HA GLN 26 -0.193 -5.539 5.879 182 HB2 GLN 26 HB2 GLN 26 1.399 -7.437 4.158 183 HB3 GLN 26 HB1 GLN 26 2.085 -6.371 5.376 184 HG2 GLN 26 HG2 GLN 26 0.959 -7.523 7.128 185 HG3 GLN 26 HG1 GLN 26 0.019 -8.466 5.975 186 HE21 GLN 26 HE21 GLN 26 0.725 -10.396 6.825 187 HE22 GLN 26 HE22 GLN 26 2.331 -10.992 6.586 188 H LEU 27 HN LEU 27 0.034 -6.071 2.405 189 HA LEU 27 HA LEU 27 1.550 -3.747 1.878 190 HB2 LEU 27 HB2 LEU 27 -0.140 -5.505 0.153 191 HB3 LEU 27 HB1 LEU 27 0.773 -4.142 -0.473 192 HG LEU 27 HG LEU 27 2.072 -6.372 1.071 193 HD11 LEU 27 HD11 LEU 27 1.721 -6.091 -1.888 194 HD12 LEU 27 HD12 LEU 27 0.994 -7.321 -0.852 195 HD13 LEU 27 HD13 LEU 27 2.744 -7.280 -1.081 196 HD21 LEU 27 HD21 LEU 27 3.290 -4.241 0.893 197 HD22 LEU 27 HD22 LEU 27 3.161 -4.346 -0.868 198 HD23 LEU 27 HD23 LEU 27 4.086 -5.553 0.024 199 H LEU 28 HN LEU 28 -1.906 -4.431 1.987 200 HA LEU 28 HA LEU 28 -2.765 -1.927 1.011 201 HB2 LEU 28 HB2 LEU 28 -4.067 -4.025 2.697 202 HB3 LEU 28 HB1 LEU 28 -4.864 -2.506 2.349 203 HG LEU 28 HG LEU 28 -3.860 -4.315 0.173 204 HD11 LEU 28 HD11 LEU 28 -5.460 -5.507 1.554 205 HD12 LEU 28 HD12 LEU 28 -6.107 -5.129 -0.042 206 HD13 LEU 28 HD13 LEU 28 -6.607 -4.181 1.364 207 HD21 LEU 28 HD21 LEU 28 -4.271 -1.969 -0.427 208 HD22 LEU 28 HD22 LEU 28 -5.908 -2.103 0.212 209 HD23 LEU 28 HD23 LEU 28 -5.430 -3.053 -1.193 210 H THR 29 HN THR 29 -1.778 -3.071 4.166 211 HA THR 29 HA THR 29 -2.618 -0.878 5.720 212 HB THR 29 HB THR 29 -0.140 -2.596 6.109 213 HG1 THR 29 HG1 THR 29 -2.620 -3.393 6.098 214 HG21 THR 29 HG21 THR 29 -0.366 -2.022 8.480 215 HG22 THR 29 HG22 THR 29 -1.750 -0.996 8.105 216 HG23 THR 29 HG23 THR 29 -0.149 -0.571 7.499 217 H ALA 30 HN ALA 30 0.280 -1.537 3.846 218 HA ALA 30 HA ALA 30 1.677 0.849 4.495 219 HB1 ALA 30 HB1 ALA 30 2.069 -0.860 2.067 220 HB2 ALA 30 HB2 ALA 30 2.668 -1.287 3.669 221 HB3 ALA 30 HB3 ALA 30 3.238 0.183 2.881 222 H ALA 31 HN ALA 31 -0.467 -0.113 1.864 223 HA ALA 31 HA ALA 31 -0.183 2.091 0.142 224 HB1 ALA 31 HB1 ALA 31 -2.660 0.462 0.677 225 HB2 ALA 31 HB2 ALA 31 -1.355 0.007 -0.417 226 HB3 ALA 31 HB3 ALA 31 -2.330 1.439 -0.753 227 H GLU 32 HN GLU 32 -2.383 1.547 2.864 228 HA GLU 32 HA GLU 32 -3.708 4.059 2.639 229 HB2 GLU 32 HB2 GLU 32 -3.566 2.076 4.906 230 HB3 GLU 32 HB1 GLU 32 -4.614 3.487 4.884 231 HG2 GLU 32 HG2 GLU 32 -4.707 1.246 2.882 232 HG3 GLU 32 HG1 GLU 32 -5.767 1.398 4.282 233 H LYS 33 HN LYS 33 -0.968 2.889 4.527 234 HA LYS 33 HA LYS 33 -0.892 5.121 6.272 235 HB2 LYS 33 HB2 LYS 33 0.141 2.915 6.788 236 HB3 LYS 33 HB1 LYS 33 1.388 3.265 5.598 237 HG2 LYS 33 HG2 LYS 33 2.162 5.140 6.875 238 HG3 LYS 33 HG1 LYS 33 0.822 4.973 8.009 239 HD2 LYS 33 HD2 LYS 33 1.692 2.717 8.600 240 HD3 LYS 33 HD1 LYS 33 3.092 3.038 7.573 241 HE2 LYS 33 HE2 LYS 33 3.711 4.932 8.939 242 HE3 LYS 33 HE1 LYS 33 2.253 4.745 9.913 243 HZ1 LYS 33 HZ1 LYS 33 4.504 2.820 9.734 244 HZ2 LYS 33 HZ2 LYS 33 3.080 2.567 10.605 245 HZ3 LYS 33 HZ3 LYS 33 4.128 3.809 11.053 246 H ALA 34 HN ALA 34 1.004 4.331 3.359 247 HA ALA 34 HA ALA 34 2.634 6.619 3.406 248 HB1 ALA 34 HB1 ALA 34 3.013 6.192 1.026 249 HB2 ALA 34 HB2 ALA 34 1.653 5.069 1.011 250 HB3 ALA 34 HB3 ALA 34 3.089 4.705 1.968 251 H ASP 35 HN ASP 35 -0.597 6.098 2.193 252 HA ASP 35 HA ASP 35 -0.956 8.508 0.798 253 HB2 ASP 35 HB2 ASP 35 -2.507 6.581 0.662 254 HB3 ASP 35 HB1 ASP 35 -3.012 6.885 2.319 255 H GLU 36 HN GLU 36 -1.460 7.648 4.197 256 HA GLU 36 HA GLU 36 -2.594 10.055 5.040 257 HB2 GLU 36 HB2 GLU 36 -2.698 7.971 6.307 258 HB3 GLU 36 HB1 GLU 36 -0.961 8.031 6.565 259 HG2 GLU 36 HG2 GLU 36 -1.189 10.026 7.884 260 HG3 GLU 36 HG1 GLU 36 -2.915 10.069 7.519 261 H LEU 37 HN LEU 37 0.775 9.026 4.721 262 HA LEU 37 HA LEU 37 1.834 11.367 6.027 263 HB2 LEU 37 HB2 LEU 37 3.059 9.149 4.437 264 HB3 LEU 37 HB1 LEU 37 4.000 10.562 4.851 265 HG LEU 37 HG LEU 37 3.345 10.046 7.284 266 HD11 LEU 37 HD11 LEU 37 1.598 8.474 6.863 267 HD12 LEU 37 HD12 LEU 37 2.924 7.651 7.696 268 HD13 LEU 37 HD13 LEU 37 2.696 7.443 5.954 269 HD21 LEU 37 HD21 LEU 37 5.167 8.199 5.758 270 HD22 LEU 37 HD22 LEU 37 5.198 8.475 7.502 271 HD23 LEU 37 HD23 LEU 37 5.582 9.792 6.392 272 H GLY 38 HN GLY 38 0.579 10.718 2.982 273 HA2 GLY 38 HA2 GLY 38 0.304 12.125 1.185 274 HA3 GLY 38 HA1 GLY 38 1.245 13.340 2.044 Start of MODEL 9 1 H1 SER 1 HN SER 1 2.476 10.713 2.399 2 HA SER 1 HA SER 1 4.380 12.028 0.607 3 HB2 SER 1 HB2 SER 1 5.639 9.850 0.865 4 HB3 SER 1 HB1 SER 1 5.439 10.777 2.353 5 HG SER 1 HG SER 1 3.710 8.681 1.553 6 HA PRO 2 HA PRO 2 1.590 10.259 -2.534 7 HB2 PRO 2 HB2 PRO 2 3.283 11.883 -4.324 8 HB3 PRO 2 HB1 PRO 2 1.530 11.890 -4.122 9 HG2 PRO 2 HG2 PRO 2 3.017 13.901 -3.196 10 HG3 PRO 2 HG1 PRO 2 1.610 13.308 -2.296 11 HD2 PRO 2 HD2 PRO 2 4.518 12.750 -1.837 12 HD3 PRO 2 HD1 PRO 2 3.244 13.132 -0.658 13 H GLU 3 HN GLU 3 5.124 10.627 -3.032 14 HA GLU 3 HA GLU 3 5.261 8.676 -5.073 15 HB2 GLU 3 HB2 GLU 3 7.025 10.374 -4.664 16 HB3 GLU 3 HB1 GLU 3 7.468 9.519 -3.193 17 HG2 GLU 3 HG2 GLU 3 8.112 7.575 -4.465 18 HG3 GLU 3 HG1 GLU 3 7.563 8.335 -5.956 19 H GLU 4 HN GLU 4 5.820 8.493 -1.586 20 HA GLU 4 HA GLU 4 6.457 5.742 -1.561 21 HB2 GLU 4 HB2 GLU 4 5.505 7.654 0.552 22 HB3 GLU 4 HB1 GLU 4 5.678 5.942 0.902 23 HG2 GLU 4 HG2 GLU 4 7.635 7.191 1.612 24 HG3 GLU 4 HG1 GLU 4 8.041 6.048 0.337 25 H ARG 5 HN ARG 5 3.439 7.527 -1.382 26 HA ARG 5 HA ARG 5 1.779 5.396 -0.679 27 HB2 ARG 5 HB2 ARG 5 1.169 7.834 -0.680 28 HB3 ARG 5 HB1 ARG 5 1.037 7.734 -2.431 29 HG2 ARG 5 HG2 ARG 5 -0.719 6.068 -2.218 30 HG3 ARG 5 HG1 ARG 5 -0.548 6.134 -0.461 31 HD2 ARG 5 HD2 ARG 5 -1.170 8.510 -0.511 32 HD3 ARG 5 HD1 ARG 5 -1.389 8.402 -2.257 33 HE ARG 5 HE ARG 5 -2.973 6.439 -1.043 34 HH11 ARG 5 HH11 ARG 5 -2.796 9.930 -1.327 35 HH12 ARG 5 HH12 ARG 5 -4.492 10.160 -1.085 36 HH21 ARG 5 HH21 ARG 5 -5.229 6.747 -0.716 37 HH22 ARG 5 HH22 ARG 5 -5.881 8.350 -0.740 38 H ALA 6 HN ALA 6 2.828 6.624 -3.826 39 HA ALA 6 HA ALA 6 1.259 4.922 -5.403 40 HB1 ALA 6 HB1 ALA 6 2.421 6.889 -6.289 41 HB2 ALA 6 HB2 ALA 6 2.810 5.438 -7.211 42 HB3 ALA 6 HB3 ALA 6 3.970 6.081 -6.049 43 H GLN 7 HN GLN 7 4.510 4.495 -4.061 44 HA GLN 7 HA GLN 7 4.981 1.983 -5.305 45 HB2 GLN 7 HB2 GLN 7 6.251 3.253 -2.877 46 HB3 GLN 7 HB1 GLN 7 6.829 1.781 -3.643 47 HG2 GLN 7 HG2 GLN 7 6.653 4.476 -4.976 48 HG3 GLN 7 HG1 GLN 7 8.116 3.767 -4.296 49 HE21 GLN 7 HE21 GLN 7 7.558 4.583 -7.026 50 HE22 GLN 7 HE22 GLN 7 7.777 3.175 -8.003 51 H LEU 8 HN LEU 8 3.829 2.903 -2.085 52 HA LEU 8 HA LEU 8 3.655 0.242 -1.119 53 HB2 LEU 8 HB2 LEU 8 2.460 2.823 -0.170 54 HB3 LEU 8 HB1 LEU 8 2.235 1.301 0.673 55 HG LEU 8 HG LEU 8 4.940 2.519 0.119 56 HD11 LEU 8 HD11 LEU 8 4.922 3.071 2.531 57 HD12 LEU 8 HD12 LEU 8 3.203 2.664 2.564 58 HD13 LEU 8 HD13 LEU 8 3.779 4.000 1.566 59 HD21 LEU 8 HD21 LEU 8 5.031 0.130 0.433 60 HD22 LEU 8 HD22 LEU 8 4.028 0.253 1.877 61 HD23 LEU 8 HD23 LEU 8 5.654 0.932 1.877 62 H LEU 9 HN LEU 9 1.314 2.404 -2.662 63 HA LEU 9 HA LEU 9 -0.939 0.797 -2.167 64 HB2 LEU 9 HB2 LEU 9 -1.156 3.127 -2.601 65 HB3 LEU 9 HB1 LEU 9 -0.392 2.950 -4.169 66 HG LEU 9 HG LEU 9 -2.245 1.493 -4.813 67 HD11 LEU 9 HD11 LEU 9 -4.351 1.627 -3.553 68 HD12 LEU 9 HD12 LEU 9 -3.519 2.538 -2.294 69 HD13 LEU 9 HD13 LEU 9 -3.067 0.865 -2.614 70 HD21 LEU 9 HD21 LEU 9 -3.802 3.345 -5.215 71 HD22 LEU 9 HD22 LEU 9 -2.120 3.774 -5.542 72 HD23 LEU 9 HD23 LEU 9 -2.896 4.313 -4.051 73 H THR 10 HN THR 10 1.303 1.045 -4.915 74 HA THR 10 HA THR 10 -0.149 -0.699 -6.585 75 HB THR 10 HB THR 10 2.124 -1.049 -7.726 76 HG1 THR 10 HG1 THR 10 2.976 1.201 -6.275 77 HG21 THR 10 HG21 THR 10 2.095 1.211 -8.697 78 HG22 THR 10 HG22 THR 10 1.054 1.758 -7.383 79 HG23 THR 10 HG23 THR 10 0.465 0.557 -8.533 80 H ALA 11 HN ALA 11 2.210 -1.232 -4.069 81 HA ALA 11 HA ALA 11 2.661 -3.990 -4.497 82 HB1 ALA 11 HB1 ALA 11 3.496 -4.022 -2.236 83 HB2 ALA 11 HB2 ALA 11 2.729 -2.466 -1.901 84 HB3 ALA 11 HB3 ALA 11 4.060 -2.565 -3.053 85 H ALA 12 HN ALA 12 0.211 -2.215 -2.700 86 HA ALA 12 HA ALA 12 -1.121 -4.393 -1.481 87 HB1 ALA 12 HB1 ALA 12 -2.205 -1.751 -2.450 88 HB2 ALA 12 HB2 ALA 12 -1.532 -2.081 -0.853 89 HB3 ALA 12 HB3 ALA 12 -3.030 -2.862 -1.360 90 H GLU 13 HN GLU 13 -1.554 -2.781 -4.593 91 HA GLU 13 HA GLU 13 -3.734 -4.355 -5.479 92 HB2 GLU 13 HB2 GLU 13 -3.126 -2.113 -6.372 93 HB3 GLU 13 HB1 GLU 13 -1.695 -2.814 -7.105 94 HG2 GLU 13 HG2 GLU 13 -4.195 -4.135 -7.853 95 HG3 GLU 13 HG1 GLU 13 -4.087 -2.446 -8.343 96 H LYS 14 HN LYS 14 -0.241 -4.630 -5.875 97 HA LYS 14 HA LYS 14 -0.310 -6.865 -7.609 98 HB2 LYS 14 HB2 LYS 14 1.823 -5.753 -5.811 99 HB3 LYS 14 HB1 LYS 14 2.098 -7.164 -6.815 100 HG2 LYS 14 HG2 LYS 14 1.440 -5.764 -8.786 101 HG3 LYS 14 HG1 LYS 14 1.445 -4.373 -7.701 102 HD2 LYS 14 HD2 LYS 14 3.794 -4.872 -7.140 103 HD3 LYS 14 HD1 LYS 14 3.772 -6.184 -8.317 104 HE2 LYS 14 HE2 LYS 14 4.767 -4.220 -9.304 105 HE3 LYS 14 HE1 LYS 14 3.220 -4.557 -10.078 106 HZ1 LYS 14 HZ1 LYS 14 3.442 -2.220 -9.628 107 HZ2 LYS 14 HZ2 LYS 14 3.727 -2.510 -7.992 108 HZ3 LYS 14 HZ3 LYS 14 2.213 -2.860 -8.661 109 H ALA 15 HN ALA 15 -0.313 -6.538 -4.119 110 HA ALA 15 HA ALA 15 0.145 -9.245 -3.478 111 HB1 ALA 15 HB1 ALA 15 -1.471 -7.207 -1.954 112 HB2 ALA 15 HB2 ALA 15 0.276 -7.418 -1.849 113 HB3 ALA 15 HB3 ALA 15 -0.802 -8.705 -1.306 114 H ASP 16 HN ASP 16 -2.757 -7.463 -4.342 115 HA ASP 16 HA ASP 16 -4.613 -9.558 -3.841 116 HB2 ASP 16 HB2 ASP 16 -5.391 -7.273 -4.156 117 HB3 ASP 16 HB1 ASP 16 -4.736 -7.242 -5.787 118 H GLU 17 HN GLU 17 -2.773 -8.513 -6.627 119 HA GLU 17 HA GLU 17 -3.686 -10.352 -8.507 120 HB2 GLU 17 HB2 GLU 17 -2.278 -8.298 -8.884 121 HB3 GLU 17 HB1 GLU 17 -0.904 -9.208 -8.282 122 HG2 GLU 17 HG2 GLU 17 -1.116 -10.781 -10.099 123 HG3 GLU 17 HG1 GLU 17 -2.563 -9.936 -10.651 124 H LEU 18 HN LEU 18 -1.218 -10.591 -6.010 125 HA LEU 18 HA LEU 18 -0.323 -13.198 -6.864 126 HB2 LEU 18 HB2 LEU 18 0.268 -11.580 -4.403 127 HB3 LEU 18 HB1 LEU 18 1.033 -13.103 -4.789 128 HG LEU 18 HG LEU 18 1.277 -10.515 -6.312 129 HD11 LEU 18 HD11 LEU 18 3.629 -10.713 -5.701 130 HD12 LEU 18 HD12 LEU 18 3.252 -12.170 -4.780 131 HD13 LEU 18 HD13 LEU 18 2.580 -10.616 -4.285 132 HD21 LEU 18 HD21 LEU 18 2.392 -13.241 -6.965 133 HD22 LEU 18 HD22 LEU 18 2.869 -11.737 -7.751 134 HD23 LEU 18 HD23 LEU 18 1.216 -12.328 -7.912 135 H GLY 19 HN GLY 19 -2.793 -11.933 -4.896 136 HA2 GLY 19 HA2 GLY 19 -4.501 -12.982 -3.784 137 HA3 GLY 19 HA1 GLY 19 -3.871 -14.512 -4.369 138 H CYS 20 HN CYS 20 -2.014 -12.228 -2.434 139 HA CYS 20 HA CYS 20 -1.957 -14.250 -0.308 140 HB2 CYS 20 HB2 CYS 20 0.121 -12.947 0.431 141 HB3 CYS 20 HB1 CYS 20 0.243 -13.895 -1.045 142 HG CYS 20 HG CYS 20 1.646 -11.441 -1.232 143 HA PRO 21 HA PRO 21 -4.735 -11.235 1.592 144 HB2 PRO 21 HB2 PRO 21 -5.303 -12.783 3.781 145 HB3 PRO 21 HB1 PRO 21 -6.115 -12.931 2.219 146 HG2 PRO 21 HG2 PRO 21 -3.863 -14.547 3.343 147 HG3 PRO 21 HG1 PRO 21 -5.293 -15.092 2.449 148 HD2 PRO 21 HD2 PRO 21 -2.899 -14.867 1.271 149 HD3 PRO 21 HD1 PRO 21 -4.397 -14.482 0.402 150 H GLU 22 HN GLU 22 -2.179 -12.915 3.438 151 HA GLU 22 HA GLU 22 -2.262 -11.136 5.647 152 HB2 GLU 22 HB2 GLU 22 -1.267 -13.437 5.678 153 HB3 GLU 22 HB1 GLU 22 0.082 -12.813 4.741 154 HG2 GLU 22 HG2 GLU 22 0.647 -12.967 7.086 155 HG3 GLU 22 HG1 GLU 22 0.644 -11.289 6.547 156 H GLU 23 HN GLU 23 -0.251 -11.287 2.756 157 HA GLU 23 HA GLU 23 1.271 -8.965 3.432 158 HB2 GLU 23 HB2 GLU 23 0.897 -10.359 0.780 159 HB3 GLU 23 HB1 GLU 23 2.070 -9.091 1.096 160 HG2 GLU 23 HG2 GLU 23 3.172 -10.518 2.737 161 HG3 GLU 23 HG1 GLU 23 1.994 -11.790 2.416 162 H ARG 24 HN ARG 24 -1.565 -9.645 1.470 163 HA ARG 24 HA ARG 24 -1.807 -7.201 0.152 164 HB2 ARG 24 HB2 ARG 24 -3.092 -9.219 -0.414 165 HB3 ARG 24 HB1 ARG 24 -3.992 -9.064 1.086 166 HG2 ARG 24 HG2 ARG 24 -4.848 -6.887 0.291 167 HG3 ARG 24 HG1 ARG 24 -4.019 -7.172 -1.242 168 HD2 ARG 24 HD2 ARG 24 -5.324 -9.205 -1.578 169 HD3 ARG 24 HD1 ARG 24 -6.139 -8.945 -0.036 170 HE ARG 24 HE ARG 24 -6.385 -6.734 -1.846 171 HH11 ARG 24 HH11 ARG 24 -7.738 -9.833 -0.928 172 HH12 ARG 24 HH12 ARG 24 -9.300 -9.507 -1.590 173 HH21 ARG 24 HH21 ARG 24 -8.454 -6.285 -2.725 174 HH22 ARG 24 HH22 ARG 24 -9.711 -7.468 -2.617 175 H ALA 25 HN ALA 25 -3.104 -8.257 3.271 176 HA ALA 25 HA ALA 25 -4.573 -5.914 3.779 177 HB1 ALA 25 HB1 ALA 25 -4.688 -6.693 6.072 178 HB2 ALA 25 HB2 ALA 25 -3.393 -7.849 5.764 179 HB3 ALA 25 HB3 ALA 25 -4.949 -8.032 4.955 180 H GLN 26 HN GLN 26 -1.269 -6.872 4.648 181 HA GLN 26 HA GLN 26 -0.743 -4.579 6.219 182 HB2 GLN 26 HB2 GLN 26 0.528 -6.624 6.506 183 HB3 GLN 26 HB1 GLN 26 1.116 -6.529 4.853 184 HG2 GLN 26 HG2 GLN 26 2.813 -5.842 6.450 185 HG3 GLN 26 HG1 GLN 26 2.341 -4.524 5.377 186 HE21 GLN 26 HE21 GLN 26 3.092 -2.984 6.818 187 HE22 GLN 26 HE22 GLN 26 2.252 -2.591 8.278 188 H LEU 27 HN LEU 27 -0.097 -5.416 2.841 189 HA LEU 27 HA LEU 27 1.328 -3.065 2.231 190 HB2 LEU 27 HB2 LEU 27 -0.113 -5.069 0.544 191 HB3 LEU 27 HB1 LEU 27 0.721 -3.688 -0.146 192 HG LEU 27 HG LEU 27 2.102 -5.680 1.644 193 HD11 LEU 27 HD11 LEU 27 1.273 -6.884 -0.240 194 HD12 LEU 27 HD12 LEU 27 3.012 -6.634 -0.428 195 HD13 LEU 27 HD13 LEU 27 1.868 -5.644 -1.342 196 HD21 LEU 27 HD21 LEU 27 4.116 -4.764 0.641 197 HD22 LEU 27 HD22 LEU 27 3.169 -3.477 1.391 198 HD23 LEU 27 HD23 LEU 27 3.144 -3.690 -0.363 199 H LEU 28 HN LEU 28 -2.093 -3.883 2.164 200 HA LEU 28 HA LEU 28 -2.968 -1.523 0.888 201 HB2 LEU 28 HB2 LEU 28 -4.283 -3.556 2.625 202 HB3 LEU 28 HB1 LEU 28 -5.125 -2.079 2.205 203 HG LEU 28 HG LEU 28 -3.965 -3.868 0.096 204 HD11 LEU 28 HD11 LEU 28 -5.460 -5.185 1.461 205 HD12 LEU 28 HD12 LEU 28 -6.148 -4.864 -0.131 206 HD13 LEU 28 HD13 LEU 28 -6.719 -3.962 1.279 207 HD21 LEU 28 HD21 LEU 28 -5.639 -2.763 -1.301 208 HD22 LEU 28 HD22 LEU 28 -4.558 -1.583 -0.561 209 HD23 LEU 28 HD23 LEU 28 -6.181 -1.820 0.085 210 H THR 29 HN THR 29 -2.410 -2.378 4.271 211 HA THR 29 HA THR 29 -3.350 0.044 5.371 212 HB THR 29 HB THR 29 -1.189 -1.758 6.498 213 HG1 THR 29 HG1 THR 29 -3.817 -2.210 6.029 214 HG21 THR 29 HG21 THR 29 -1.985 -0.912 8.666 215 HG22 THR 29 HG22 THR 29 -3.136 0.135 7.834 216 HG23 THR 29 HG23 THR 29 -1.403 0.403 7.644 217 H ALA 30 HN ALA 30 -0.251 -0.979 4.064 218 HA ALA 30 HA ALA 30 1.279 1.277 4.777 219 HB1 ALA 30 HB1 ALA 30 1.625 -0.370 2.289 220 HB2 ALA 30 HB2 ALA 30 2.131 -0.904 3.892 221 HB3 ALA 30 HB3 ALA 30 2.841 0.545 3.185 222 H ALA 31 HN ALA 31 -0.800 0.578 2.024 223 HA ALA 31 HA ALA 31 -0.341 2.870 0.466 224 HB1 ALA 31 HB1 ALA 31 -2.909 1.331 0.796 225 HB2 ALA 31 HB2 ALA 31 -1.584 0.885 -0.276 226 HB3 ALA 31 HB3 ALA 31 -2.475 2.382 -0.552 227 H GLU 32 HN GLU 32 -2.604 2.222 3.105 228 HA GLU 32 HA GLU 32 -3.914 4.755 3.034 229 HB2 GLU 32 HB2 GLU 32 -3.768 2.800 5.332 230 HB3 GLU 32 HB1 GLU 32 -4.988 4.039 5.073 231 HG2 GLU 32 HG2 GLU 32 -5.798 2.872 3.117 232 HG3 GLU 32 HG1 GLU 32 -4.531 1.661 3.289 233 H LYS 33 HN LYS 33 -1.273 3.390 4.935 234 HA LYS 33 HA LYS 33 -1.019 5.526 6.752 235 HB2 LYS 33 HB2 LYS 33 -0.039 3.288 7.113 236 HB3 LYS 33 HB1 LYS 33 1.114 3.599 5.824 237 HG2 LYS 33 HG2 LYS 33 2.073 5.431 7.095 238 HG3 LYS 33 HG1 LYS 33 0.890 5.174 8.378 239 HD2 LYS 33 HD2 LYS 33 1.786 2.905 8.712 240 HD3 LYS 33 HD1 LYS 33 2.994 3.218 7.465 241 HE2 LYS 33 HE2 LYS 33 3.888 5.063 8.792 242 HE3 LYS 33 HE1 LYS 33 2.674 4.762 10.033 243 HZ1 LYS 33 HZ1 LYS 33 4.807 3.782 10.604 244 HZ2 LYS 33 HZ2 LYS 33 4.782 2.851 9.192 245 HZ3 LYS 33 HZ3 LYS 33 3.631 2.585 10.397 246 H ALA 34 HN ALA 34 0.487 4.878 3.633 247 HA ALA 34 HA ALA 34 2.300 7.010 3.611 248 HB1 ALA 34 HB1 ALA 34 2.308 5.154 2.005 249 HB2 ALA 34 HB2 ALA 34 2.353 6.728 1.211 250 HB3 ALA 34 HB3 ALA 34 0.849 5.807 1.265 251 H ASP 35 HN ASP 35 -1.106 6.840 2.823 252 HA ASP 35 HA ASP 35 -1.410 9.428 1.744 253 HB2 ASP 35 HB2 ASP 35 -3.195 7.922 1.382 254 HB3 ASP 35 HB1 ASP 35 -3.304 7.511 3.089 255 H GLU 36 HN GLU 36 -1.714 8.161 5.037 256 HA GLU 36 HA GLU 36 -2.412 10.622 6.238 257 HB2 GLU 36 HB2 GLU 36 -1.197 8.116 7.382 258 HB3 GLU 36 HB1 GLU 36 -1.634 9.504 8.366 259 HG2 GLU 36 HG2 GLU 36 -3.966 9.274 7.516 260 HG3 GLU 36 HG1 GLU 36 -3.469 7.773 6.735 261 H LEU 37 HN LEU 37 0.639 9.179 5.381 262 HA LEU 37 HA LEU 37 2.232 11.039 6.879 263 HB2 LEU 37 HB2 LEU 37 2.974 9.220 4.611 264 HB3 LEU 37 HB1 LEU 37 4.101 10.109 5.612 265 HG LEU 37 HG LEU 37 2.307 7.852 6.478 266 HD11 LEU 37 HD11 LEU 37 4.411 6.717 6.899 267 HD12 LEU 37 HD12 LEU 37 5.283 8.137 6.312 268 HD13 LEU 37 HD13 LEU 37 4.267 7.211 5.208 269 HD21 LEU 37 HD21 LEU 37 4.180 9.562 8.115 270 HD22 LEU 37 HD22 LEU 37 3.407 8.078 8.671 271 HD23 LEU 37 HD23 LEU 37 2.424 9.485 8.269 272 H GLY 38 HN GLY 38 0.516 11.144 3.964 273 HA2 GLY 38 HA2 GLY 38 0.274 12.827 2.418 274 HA3 GLY 38 HA1 GLY 38 1.350 13.808 3.401 Start of MODEL 10 1 H1 SER 1 HN SER 1 2.292 10.990 2.275 2 HA SER 1 HA SER 1 4.134 12.119 0.308 3 HB2 SER 1 HB2 SER 1 4.269 9.478 1.782 4 HB3 SER 1 HB1 SER 1 5.561 10.230 0.842 5 HG SER 1 HG SER 1 4.951 12.067 2.496 6 HA PRO 2 HA PRO 2 1.245 10.000 -2.526 7 HB2 PRO 2 HB2 PRO 2 2.227 11.165 -4.792 8 HB3 PRO 2 HB1 PRO 2 1.038 11.928 -3.728 9 HG2 PRO 2 HG2 PRO 2 3.998 12.329 -3.858 10 HG3 PRO 2 HG1 PRO 2 2.712 13.535 -3.682 11 HD2 PRO 2 HD2 PRO 2 4.168 12.699 -1.592 12 HD3 PRO 2 HD1 PRO 2 2.452 13.117 -1.427 13 H GLU 3 HN GLU 3 4.734 10.369 -3.240 14 HA GLU 3 HA GLU 3 4.785 8.232 -5.091 15 HB2 GLU 3 HB2 GLU 3 6.504 9.995 -5.042 16 HB3 GLU 3 HB1 GLU 3 7.078 9.382 -3.498 17 HG2 GLU 3 HG2 GLU 3 7.790 7.335 -4.491 18 HG3 GLU 3 HG1 GLU 3 7.034 7.759 -6.025 19 H GLU 4 HN GLU 4 5.581 8.420 -1.654 20 HA GLU 4 HA GLU 4 6.365 5.728 -1.362 21 HB2 GLU 4 HB2 GLU 4 5.252 7.731 0.607 22 HB3 GLU 4 HB1 GLU 4 5.778 6.125 1.079 23 HG2 GLU 4 HG2 GLU 4 7.494 7.761 1.557 24 HG3 GLU 4 HG1 GLU 4 8.043 6.642 0.318 25 H ARG 5 HN ARG 5 3.271 7.389 -1.088 26 HA ARG 5 HA ARG 5 1.705 5.272 -0.191 27 HB2 ARG 5 HB2 ARG 5 1.019 7.642 -0.242 28 HB3 ARG 5 HB1 ARG 5 0.973 7.581 -1.996 29 HG2 ARG 5 HG2 ARG 5 -0.786 5.830 -1.812 30 HG3 ARG 5 HG1 ARG 5 -0.775 6.118 -0.068 31 HD2 ARG 5 HD2 ARG 5 -2.570 7.380 -1.202 32 HD3 ARG 5 HD1 ARG 5 -1.399 8.440 -0.416 33 HE ARG 5 HE ARG 5 -0.816 7.913 -3.176 34 HH11 ARG 5 HH11 ARG 5 -2.662 9.980 -1.004 35 HH12 ARG 5 HH12 ARG 5 -2.719 11.300 -2.130 36 HH21 ARG 5 HH21 ARG 5 -0.915 9.664 -4.659 37 HH22 ARG 5 HH22 ARG 5 -1.732 11.117 -4.202 38 H ALA 6 HN ALA 6 2.517 6.377 -3.462 39 HA ALA 6 HA ALA 6 0.908 4.573 -4.868 40 HB1 ALA 6 HB1 ALA 6 3.502 5.819 -5.762 41 HB2 ALA 6 HB2 ALA 6 1.911 6.571 -5.872 42 HB3 ALA 6 HB3 ALA 6 2.265 5.117 -6.805 43 H GLN 7 HN GLN 7 4.276 4.293 -3.783 44 HA GLN 7 HA GLN 7 4.803 1.844 -5.088 45 HB2 GLN 7 HB2 GLN 7 6.049 2.865 -2.531 46 HB3 GLN 7 HB1 GLN 7 6.712 1.627 -3.586 47 HG2 GLN 7 HG2 GLN 7 6.370 4.550 -4.202 48 HG3 GLN 7 HG1 GLN 7 7.881 3.677 -3.960 49 HE21 GLN 7 HE21 GLN 7 6.937 5.249 -6.225 50 HE22 GLN 7 HE22 GLN 7 7.003 4.200 -7.597 51 H LEU 8 HN LEU 8 3.618 2.583 -1.862 52 HA LEU 8 HA LEU 8 3.468 -0.110 -0.988 53 HB2 LEU 8 HB2 LEU 8 2.109 2.384 -0.017 54 HB3 LEU 8 HB1 LEU 8 2.058 0.840 0.815 55 HG LEU 8 HG LEU 8 4.656 2.226 0.198 56 HD11 LEU 8 HD11 LEU 8 2.958 2.468 2.659 57 HD12 LEU 8 HD12 LEU 8 3.306 3.745 1.493 58 HD13 LEU 8 HD13 LEU 8 4.604 3.072 2.481 59 HD21 LEU 8 HD21 LEU 8 3.863 0.158 2.240 60 HD22 LEU 8 HD22 LEU 8 5.476 0.837 2.028 61 HD23 LEU 8 HD23 LEU 8 4.763 -0.155 0.755 62 H LEU 9 HN LEU 9 1.163 2.119 -2.452 63 HA LEU 9 HA LEU 9 -1.112 0.473 -2.153 64 HB2 LEU 9 HB2 LEU 9 -0.634 3.057 -2.873 65 HB3 LEU 9 HB1 LEU 9 -1.122 2.345 -4.396 66 HG LEU 9 HG LEU 9 -2.783 1.942 -1.946 67 HD11 LEU 9 HD11 LEU 9 -4.076 3.929 -2.577 68 HD12 LEU 9 HD12 LEU 9 -2.844 4.328 -3.779 69 HD13 LEU 9 HD13 LEU 9 -2.434 4.312 -2.059 70 HD21 LEU 9 HD21 LEU 9 -3.429 2.078 -4.888 71 HD22 LEU 9 HD22 LEU 9 -4.579 1.757 -3.588 72 HD23 LEU 9 HD23 LEU 9 -3.282 0.609 -3.923 73 H THR 10 HN THR 10 1.202 0.911 -4.819 74 HA THR 10 HA THR 10 -0.133 -0.786 -6.634 75 HB THR 10 HB THR 10 2.244 -1.099 -7.615 76 HG1 THR 10 HG1 THR 10 2.811 1.110 -5.928 77 HG21 THR 10 HG21 THR 10 0.600 0.468 -8.535 78 HG22 THR 10 HG22 THR 10 2.224 1.153 -8.589 79 HG23 THR 10 HG23 THR 10 1.087 1.679 -7.349 80 H ALA 11 HN ALA 11 2.225 -1.382 -4.101 81 HA ALA 11 HA ALA 11 2.684 -4.123 -4.561 82 HB1 ALA 11 HB1 ALA 11 2.721 -2.625 -1.955 83 HB2 ALA 11 HB2 ALA 11 4.060 -2.728 -3.098 84 HB3 ALA 11 HB3 ALA 11 3.486 -4.182 -2.284 85 H ALA 12 HN ALA 12 0.192 -2.406 -2.777 86 HA ALA 12 HA ALA 12 -1.129 -4.559 -1.523 87 HB1 ALA 12 HB1 ALA 12 -3.084 -3.057 -1.563 88 HB2 ALA 12 HB2 ALA 12 -2.189 -1.962 -2.615 89 HB3 ALA 12 HB3 ALA 12 -1.620 -2.273 -0.975 90 H GLU 13 HN GLU 13 -1.455 -3.116 -4.723 91 HA GLU 13 HA GLU 13 -3.568 -4.764 -5.645 92 HB2 GLU 13 HB2 GLU 13 -3.098 -2.661 -6.713 93 HB3 GLU 13 HB1 GLU 13 -1.454 -3.157 -7.080 94 HG2 GLU 13 HG2 GLU 13 -2.367 -4.903 -8.577 95 HG3 GLU 13 HG1 GLU 13 -3.984 -4.269 -8.270 96 H LYS 14 HN LYS 14 -0.051 -4.942 -5.844 97 HA LYS 14 HA LYS 14 0.088 -7.135 -7.601 98 HB2 LYS 14 HB2 LYS 14 2.072 -6.161 -5.547 99 HB3 LYS 14 HB1 LYS 14 2.427 -7.370 -6.767 100 HG2 LYS 14 HG2 LYS 14 1.854 -5.672 -8.504 101 HG3 LYS 14 HG1 LYS 14 1.720 -4.483 -7.208 102 HD2 LYS 14 HD2 LYS 14 3.899 -4.260 -8.115 103 HD3 LYS 14 HD1 LYS 14 4.081 -5.087 -6.567 104 HE2 LYS 14 HE2 LYS 14 5.480 -6.129 -8.268 105 HE3 LYS 14 HE1 LYS 14 4.216 -7.238 -7.743 106 HZ1 LYS 14 HZ1 LYS 14 4.527 -7.208 -10.168 107 HZ2 LYS 14 HZ2 LYS 14 4.088 -5.580 -10.205 108 HZ3 LYS 14 HZ3 LYS 14 2.967 -6.745 -9.722 109 H ALA 15 HN ALA 15 0.137 -6.961 -4.061 110 HA ALA 15 HA ALA 15 0.523 -9.722 -3.636 111 HB1 ALA 15 HB1 ALA 15 0.884 -8.056 -1.890 112 HB2 ALA 15 HB2 ALA 15 -0.250 -9.299 -1.360 113 HB3 ALA 15 HB3 ALA 15 -0.845 -7.713 -1.852 114 H ASP 16 HN ASP 16 -2.386 -7.784 -4.095 115 HA ASP 16 HA ASP 16 -4.238 -9.849 -3.489 116 HB2 ASP 16 HB2 ASP 16 -4.861 -7.454 -3.569 117 HB3 ASP 16 HB1 ASP 16 -4.606 -7.465 -5.310 118 H GLU 17 HN GLU 17 -2.821 -8.654 -6.483 119 HA GLU 17 HA GLU 17 -4.087 -10.369 -8.271 120 HB2 GLU 17 HB2 GLU 17 -2.776 -8.316 -8.811 121 HB3 GLU 17 HB1 GLU 17 -1.308 -9.209 -8.447 122 HG2 GLU 17 HG2 GLU 17 -1.818 -10.769 -10.244 123 HG3 GLU 17 HG1 GLU 17 -3.290 -9.853 -10.579 124 H LEU 18 HN LEU 18 -1.302 -10.794 -6.192 125 HA LEU 18 HA LEU 18 -0.524 -13.296 -7.388 126 HB2 LEU 18 HB2 LEU 18 0.388 -11.914 -4.880 127 HB3 LEU 18 HB1 LEU 18 1.089 -13.389 -5.507 128 HG LEU 18 HG LEU 18 1.162 -10.654 -6.765 129 HD11 LEU 18 HD11 LEU 18 2.754 -10.988 -4.995 130 HD12 LEU 18 HD12 LEU 18 3.579 -10.954 -6.555 131 HD13 LEU 18 HD13 LEU 18 3.295 -12.493 -5.738 132 HD21 LEU 18 HD21 LEU 18 2.471 -11.692 -8.568 133 HD22 LEU 18 HD22 LEU 18 0.808 -12.273 -8.526 134 HD23 LEU 18 HD23 LEU 18 2.111 -13.282 -7.895 135 H GLY 19 HN GLY 19 -2.917 -12.361 -5.245 136 HA2 GLY 19 HA2 GLY 19 -4.487 -13.688 -4.196 137 HA3 GLY 19 HA1 GLY 19 -3.547 -15.104 -4.640 138 H CYS 20 HN CYS 20 -2.218 -12.379 -2.900 139 HA CYS 20 HA CYS 20 -1.976 -14.111 -0.528 140 HB2 CYS 20 HB2 CYS 20 -0.167 -11.844 -1.363 141 HB3 CYS 20 HB1 CYS 20 0.084 -12.940 -0.010 142 HG CYS 20 HG CYS 20 0.139 -15.192 -1.877 143 HA PRO 21 HA PRO 21 -4.848 -10.790 0.795 144 HB2 PRO 21 HB2 PRO 21 -5.387 -12.747 2.937 145 HB3 PRO 21 HB1 PRO 21 -6.512 -11.956 1.827 146 HG2 PRO 21 HG2 PRO 21 -5.909 -14.544 1.564 147 HG3 PRO 21 HG1 PRO 21 -6.147 -13.504 0.147 148 HD2 PRO 21 HD2 PRO 21 -3.592 -14.444 1.395 149 HD3 PRO 21 HD1 PRO 21 -4.040 -14.351 -0.323 150 H GLU 22 HN GLU 22 -2.791 -12.734 2.967 151 HA GLU 22 HA GLU 22 -2.837 -10.923 5.124 152 HB2 GLU 22 HB2 GLU 22 -0.758 -12.979 4.368 153 HB3 GLU 22 HB1 GLU 22 -0.742 -12.086 5.876 154 HG2 GLU 22 HG2 GLU 22 -1.650 -14.257 6.280 155 HG3 GLU 22 HG1 GLU 22 -2.949 -13.076 6.426 156 H GLU 23 HN GLU 23 -0.574 -11.295 2.430 157 HA GLU 23 HA GLU 23 1.145 -9.190 3.248 158 HB2 GLU 23 HB2 GLU 23 0.701 -10.386 0.508 159 HB3 GLU 23 HB1 GLU 23 1.999 -9.275 0.918 160 HG2 GLU 23 HG2 GLU 23 2.792 -10.943 2.593 161 HG3 GLU 23 HG1 GLU 23 1.584 -12.061 1.962 162 H ARG 24 HN ARG 24 -1.655 -9.395 1.143 163 HA ARG 24 HA ARG 24 -1.586 -6.836 0.035 164 HB2 ARG 24 HB2 ARG 24 -3.043 -8.658 -0.748 165 HB3 ARG 24 HB1 ARG 24 -3.981 -8.539 0.731 166 HG2 ARG 24 HG2 ARG 24 -4.473 -6.153 0.071 167 HG3 ARG 24 HG1 ARG 24 -3.778 -6.552 -1.501 168 HD2 ARG 24 HD2 ARG 24 -6.205 -6.799 -1.537 169 HD3 ARG 24 HD1 ARG 24 -5.408 -8.356 -1.764 170 HE ARG 24 HE ARG 24 -6.181 -7.680 0.954 171 HH11 ARG 24 HH11 ARG 24 -7.038 -9.370 -2.011 172 HH12 ARG 24 HH12 ARG 24 -8.105 -10.473 -1.201 173 HH21 ARG 24 HH21 ARG 24 -7.601 -9.130 2.000 174 HH22 ARG 24 HH22 ARG 24 -8.424 -10.336 1.071 175 H ALA 25 HN ALA 25 -3.083 -8.033 3.016 176 HA ALA 25 HA ALA 25 -4.408 -5.694 3.766 177 HB1 ALA 25 HB1 ALA 25 -4.804 -7.875 4.805 178 HB2 ALA 25 HB2 ALA 25 -4.459 -6.634 6.009 179 HB3 ALA 25 HB3 ALA 25 -3.214 -7.800 5.564 180 H GLN 26 HN GLN 26 -1.092 -6.743 4.388 181 HA GLN 26 HA GLN 26 -0.484 -4.576 6.140 182 HB2 GLN 26 HB2 GLN 26 1.470 -6.261 4.577 183 HB3 GLN 26 HB1 GLN 26 1.794 -5.339 6.036 184 HG2 GLN 26 HG2 GLN 26 0.123 -7.820 5.769 185 HG3 GLN 26 HG1 GLN 26 1.650 -7.634 6.628 186 HE21 GLN 26 HE21 GLN 26 -0.964 -8.549 7.554 187 HE22 GLN 26 HE22 GLN 26 -1.392 -7.521 8.876 188 H LEU 27 HN LEU 27 -0.100 -5.164 2.713 189 HA LEU 27 HA LEU 27 1.423 -2.825 2.204 190 HB2 LEU 27 HB2 LEU 27 -0.142 -4.644 0.413 191 HB3 LEU 27 HB1 LEU 27 0.873 -3.332 -0.164 192 HG LEU 27 HG LEU 27 1.971 -5.519 1.582 193 HD11 LEU 27 HD11 LEU 27 0.994 -6.571 -0.343 194 HD12 LEU 27 HD12 LEU 27 2.757 -6.592 -0.453 195 HD13 LEU 27 HD13 LEU 27 1.822 -5.435 -1.405 196 HD21 LEU 27 HD21 LEU 27 3.269 -3.686 -0.419 197 HD22 LEU 27 HD22 LEU 27 4.084 -4.831 0.645 198 HD23 LEU 27 HD23 LEU 27 3.263 -3.425 1.327 199 H LEU 28 HN LEU 28 -2.005 -3.621 2.114 200 HA LEU 28 HA LEU 28 -2.914 -1.214 0.953 201 HB2 LEU 28 HB2 LEU 28 -4.211 -3.331 2.607 202 HB3 LEU 28 HB1 LEU 28 -5.067 -1.865 2.187 203 HG LEU 28 HG LEU 28 -3.856 -3.681 0.130 204 HD11 LEU 28 HD11 LEU 28 -5.524 -4.871 1.428 205 HD12 LEU 28 HD12 LEU 28 -6.084 -4.539 -0.212 206 HD13 LEU 28 HD13 LEU 28 -6.678 -3.568 1.141 207 HD21 LEU 28 HD21 LEU 28 -5.416 -2.490 -1.359 208 HD22 LEU 28 HD22 LEU 28 -4.244 -1.401 -0.620 209 HD23 LEU 28 HD23 LEU 28 -5.896 -1.461 -0.011 210 H THR 29 HN THR 29 -2.380 -2.200 4.309 211 HA THR 29 HA THR 29 -3.412 0.205 5.420 212 HB THR 29 HB THR 29 -2.019 -0.577 7.468 213 HG1 THR 29 HG1 THR 29 -2.050 -3.101 6.275 214 HG21 THR 29 HG21 THR 29 -4.441 -0.880 7.276 215 HG22 THR 29 HG22 THR 29 -3.689 -2.294 8.016 216 HG23 THR 29 HG23 THR 29 -4.187 -2.344 6.325 217 H ALA 30 HN ALA 30 -0.275 -0.857 4.312 218 HA ALA 30 HA ALA 30 1.286 1.266 5.296 219 HB1 ALA 30 HB1 ALA 30 2.117 -0.873 4.311 220 HB2 ALA 30 HB2 ALA 30 2.928 0.588 3.762 221 HB3 ALA 30 HB3 ALA 30 1.741 -0.206 2.719 222 H ALA 31 HN ALA 31 -0.590 0.880 2.330 223 HA ALA 31 HA ALA 31 0.099 3.257 1.003 224 HB1 ALA 31 HB1 ALA 31 -1.148 1.442 -0.043 225 HB2 ALA 31 HB2 ALA 31 -2.003 2.977 -0.196 226 HB3 ALA 31 HB3 ALA 31 -2.531 1.788 0.995 227 H GLU 32 HN GLU 32 -2.350 2.574 3.441 228 HA GLU 32 HA GLU 32 -3.580 5.130 3.411 229 HB2 GLU 32 HB2 GLU 32 -4.750 3.193 4.272 230 HB3 GLU 32 HB1 GLU 32 -3.528 2.960 5.512 231 HG2 GLU 32 HG2 GLU 32 -4.172 5.164 6.466 232 HG3 GLU 32 HG1 GLU 32 -5.492 5.224 5.298 233 H LYS 33 HN LYS 33 -0.979 3.709 5.326 234 HA LYS 33 HA LYS 33 -0.766 5.851 7.178 235 HB2 LYS 33 HB2 LYS 33 0.074 3.503 7.511 236 HB3 LYS 33 HB1 LYS 33 1.389 3.878 6.412 237 HG2 LYS 33 HG2 LYS 33 2.311 5.462 7.914 238 HG3 LYS 33 HG1 LYS 33 0.871 5.428 8.936 239 HD2 LYS 33 HD2 LYS 33 1.330 3.065 9.470 240 HD3 LYS 33 HD1 LYS 33 2.792 3.141 8.487 241 HE2 LYS 33 HE2 LYS 33 2.255 4.880 10.892 242 HE3 LYS 33 HE1 LYS 33 3.193 3.388 10.933 243 HZ1 LYS 33 HZ1 LYS 33 4.574 5.391 10.754 244 HZ2 LYS 33 HZ2 LYS 33 3.855 5.753 9.272 245 HZ3 LYS 33 HZ3 LYS 33 4.783 4.352 9.439 246 H ALA 34 HN ALA 34 0.898 5.085 4.156 247 HA ALA 34 HA ALA 34 2.692 7.271 4.237 248 HB1 ALA 34 HB1 ALA 34 3.006 6.847 1.844 249 HB2 ALA 34 HB2 ALA 34 1.613 5.765 1.859 250 HB3 ALA 34 HB3 ALA 34 3.058 5.356 2.783 251 H ASP 35 HN ASP 35 -0.593 6.882 3.051 252 HA ASP 35 HA ASP 35 -0.786 9.370 1.717 253 HB2 ASP 35 HB2 ASP 35 -2.397 7.537 1.352 254 HB3 ASP 35 HB1 ASP 35 -2.992 7.741 2.997 255 H GLU 36 HN GLU 36 -1.368 8.357 5.040 256 HA GLU 36 HA GLU 36 -2.478 10.728 6.000 257 HB2 GLU 36 HB2 GLU 36 -2.467 8.561 7.203 258 HB3 GLU 36 HB1 GLU 36 -0.737 8.739 7.460 259 HG2 GLU 36 HG2 GLU 36 -1.081 10.669 8.825 260 HG3 GLU 36 HG1 GLU 36 -2.798 10.664 8.425 261 H LEU 37 HN LEU 37 0.822 9.725 5.429 262 HA LEU 37 HA LEU 37 2.039 11.991 6.696 263 HB2 LEU 37 HB2 LEU 37 3.065 9.950 4.761 264 HB3 LEU 37 HB1 LEU 37 4.054 11.236 5.418 265 HG LEU 37 HG LEU 37 2.714 9.066 7.021 266 HD11 LEU 37 HD11 LEU 37 4.544 8.279 5.630 267 HD12 LEU 37 HD12 LEU 37 4.979 8.252 7.344 268 HD13 LEU 37 HD13 LEU 37 5.584 9.537 6.293 269 HD21 LEU 37 HD21 LEU 37 4.092 9.959 8.865 270 HD22 LEU 37 HD22 LEU 37 2.894 11.119 8.300 271 HD23 LEU 37 HD23 LEU 37 4.584 11.296 7.827 272 H GLY 38 HN GLY 38 0.423 11.491 3.778 273 HA2 GLY 38 HA2 GLY 38 -0.010 12.946 2.050 274 HA3 GLY 38 HA1 GLY 38 1.009 14.135 2.850 Start of MODEL 11 1 H1 SER 1 HN SER 1 1.978 10.810 2.279 2 HA SER 1 HA SER 1 3.904 12.219 0.575 3 HB2 SER 1 HB2 SER 1 5.265 10.085 0.951 4 HB3 SER 1 HB1 SER 1 5.004 11.111 2.362 5 HG SER 1 HG SER 1 3.255 8.989 1.748 6 HA PRO 2 HA PRO 2 1.444 10.215 -2.710 7 HB2 PRO 2 HB2 PRO 2 3.183 11.878 -4.421 8 HB3 PRO 2 HB1 PRO 2 1.420 11.807 -4.338 9 HG2 PRO 2 HG2 PRO 2 2.777 13.901 -3.374 10 HG3 PRO 2 HG1 PRO 2 1.309 13.301 -2.581 11 HD2 PRO 2 HD2 PRO 2 4.175 12.893 -1.827 12 HD3 PRO 2 HD1 PRO 2 2.768 13.213 -0.791 13 H GLU 3 HN GLU 3 4.970 10.776 -3.023 14 HA GLU 3 HA GLU 3 5.385 8.772 -4.988 15 HB2 GLU 3 HB2 GLU 3 6.965 10.641 -4.497 16 HB3 GLU 3 HB1 GLU 3 7.385 9.841 -2.990 17 HG2 GLU 3 HG2 GLU 3 9.090 9.335 -4.543 18 HG3 GLU 3 HG1 GLU 3 8.123 7.873 -4.357 19 H GLU 4 HN GLU 4 5.735 8.782 -1.487 20 HA GLU 4 HA GLU 4 6.655 6.124 -1.283 21 HB2 GLU 4 HB2 GLU 4 5.133 7.714 0.789 22 HB3 GLU 4 HB1 GLU 4 6.154 6.313 1.083 23 HG2 GLU 4 HG2 GLU 4 7.047 9.019 0.115 24 HG3 GLU 4 HG1 GLU 4 7.320 8.321 1.710 25 H ARG 5 HN ARG 5 3.436 7.592 -1.206 26 HA ARG 5 HA ARG 5 2.014 5.278 -0.554 27 HB2 ARG 5 HB2 ARG 5 1.110 7.599 -0.482 28 HB3 ARG 5 HB1 ARG 5 1.049 7.580 -2.240 29 HG2 ARG 5 HG2 ARG 5 -0.386 5.520 -2.042 30 HG3 ARG 5 HG1 ARG 5 -0.471 5.889 -0.319 31 HD2 ARG 5 HD2 ARG 5 -1.478 8.038 -0.801 32 HD3 ARG 5 HD1 ARG 5 -1.315 7.745 -2.533 33 HE ARG 5 HE ARG 5 -2.991 6.049 -0.797 34 HH11 ARG 5 HH11 ARG 5 -2.550 7.919 -3.730 35 HH12 ARG 5 HH12 ARG 5 -4.087 7.491 -4.384 36 HH21 ARG 5 HH21 ARG 5 -5.013 5.459 -1.668 37 HH22 ARG 5 HH22 ARG 5 -5.495 6.070 -3.215 38 H ALA 6 HN ALA 6 3.069 6.612 -3.639 39 HA ALA 6 HA ALA 6 1.533 4.987 -5.313 40 HB1 ALA 6 HB1 ALA 6 2.723 6.958 -6.109 41 HB2 ALA 6 HB2 ALA 6 3.165 5.538 -7.058 42 HB3 ALA 6 HB3 ALA 6 4.266 6.155 -5.826 43 H GLN 7 HN GLN 7 4.750 4.441 -3.936 44 HA GLN 7 HA GLN 7 5.183 1.969 -5.252 45 HB2 GLN 7 HB2 GLN 7 7.008 3.322 -4.322 46 HB3 GLN 7 HB1 GLN 7 6.392 3.041 -2.699 47 HG2 GLN 7 HG2 GLN 7 6.794 0.643 -2.977 48 HG3 GLN 7 HG1 GLN 7 7.437 0.963 -4.587 49 HE21 GLN 7 HE21 GLN 7 8.704 -0.234 -2.248 50 HE22 GLN 7 HE22 GLN 7 10.103 0.730 -1.924 51 H LEU 8 HN LEU 8 3.962 2.834 -2.058 52 HA LEU 8 HA LEU 8 3.705 0.168 -1.132 53 HB2 LEU 8 HB2 LEU 8 2.503 2.744 -0.177 54 HB3 LEU 8 HB1 LEU 8 2.332 1.214 0.665 55 HG LEU 8 HG LEU 8 4.996 2.495 0.067 56 HD11 LEU 8 HD11 LEU 8 3.356 2.564 2.580 57 HD12 LEU 8 HD12 LEU 8 3.738 3.927 1.528 58 HD13 LEU 8 HD13 LEU 8 5.023 3.121 2.427 59 HD21 LEU 8 HD21 LEU 8 5.765 0.927 1.826 60 HD22 LEU 8 HD22 LEU 8 5.160 0.117 0.381 61 HD23 LEU 8 HD23 LEU 8 4.157 0.204 1.831 62 H LEU 9 HN LEU 9 1.461 2.398 -2.716 63 HA LEU 9 HA LEU 9 -0.854 0.874 -2.292 64 HB2 LEU 9 HB2 LEU 9 -0.833 3.261 -2.778 65 HB3 LEU 9 HB1 LEU 9 -0.216 2.924 -4.384 66 HG LEU 9 HG LEU 9 -2.234 1.604 -4.788 67 HD11 LEU 9 HD11 LEU 9 -2.947 1.162 -2.523 68 HD12 LEU 9 HD12 LEU 9 -4.216 2.038 -3.377 69 HD13 LEU 9 HD13 LEU 9 -3.176 2.886 -2.234 70 HD21 LEU 9 HD21 LEU 9 -3.662 3.566 -5.194 71 HD22 LEU 9 HD22 LEU 9 -1.982 3.829 -5.671 72 HD23 LEU 9 HD23 LEU 9 -2.589 4.514 -4.163 73 H THR 10 HN THR 10 1.515 1.029 -4.933 74 HA THR 10 HA THR 10 0.107 -0.756 -6.620 75 HB THR 10 HB THR 10 2.443 -1.116 -7.665 76 HG1 THR 10 HG1 THR 10 3.121 1.224 -6.226 77 HG21 THR 10 HG21 THR 10 1.229 1.645 -7.508 78 HG22 THR 10 HG22 THR 10 0.794 0.368 -8.646 79 HG23 THR 10 HG23 THR 10 2.388 1.116 -8.727 80 H ALA 11 HN ALA 11 2.400 -1.179 -4.019 81 HA ALA 11 HA ALA 11 2.914 -3.930 -4.321 82 HB1 ALA 11 HB1 ALA 11 3.652 -3.883 -2.056 83 HB2 ALA 11 HB2 ALA 11 2.759 -2.394 -1.740 84 HB3 ALA 11 HB3 ALA 11 4.151 -2.375 -2.823 85 H ALA 12 HN ALA 12 0.371 -2.149 -2.657 86 HA ALA 12 HA ALA 12 -1.034 -4.304 -1.498 87 HB1 ALA 12 HB1 ALA 12 -2.021 -1.646 -2.517 88 HB2 ALA 12 HB2 ALA 12 -1.459 -2.004 -0.883 89 HB3 ALA 12 HB3 ALA 12 -2.939 -2.746 -1.493 90 H GLU 13 HN GLU 13 -1.233 -2.746 -4.657 91 HA GLU 13 HA GLU 13 -3.423 -4.192 -5.693 92 HB2 GLU 13 HB2 GLU 13 -2.436 -2.067 -6.614 93 HB3 GLU 13 HB1 GLU 13 -1.092 -3.018 -7.221 94 HG2 GLU 13 HG2 GLU 13 -2.583 -2.639 -9.024 95 HG3 GLU 13 HG1 GLU 13 -2.733 -4.334 -8.563 96 H LYS 14 HN LYS 14 0.062 -4.724 -5.764 97 HA LYS 14 HA LYS 14 0.104 -6.945 -7.494 98 HB2 LYS 14 HB2 LYS 14 2.087 -5.618 -6.957 99 HB3 LYS 14 HB1 LYS 14 2.015 -6.163 -5.290 100 HG2 LYS 14 HG2 LYS 14 2.359 -8.490 -6.109 101 HG3 LYS 14 HG1 LYS 14 2.612 -7.823 -7.726 102 HD2 LYS 14 HD2 LYS 14 4.478 -6.486 -6.877 103 HD3 LYS 14 HD1 LYS 14 4.223 -7.153 -5.263 104 HE2 LYS 14 HE2 LYS 14 4.647 -9.412 -6.184 105 HE3 LYS 14 HE1 LYS 14 5.004 -8.675 -7.744 106 HZ1 LYS 14 HZ1 LYS 14 7.026 -9.127 -6.521 107 HZ2 LYS 14 HZ2 LYS 14 6.489 -8.191 -5.217 108 HZ3 LYS 14 HZ3 LYS 14 6.821 -7.458 -6.701 109 H ALA 15 HN ALA 15 0.011 -6.725 -3.950 110 HA ALA 15 HA ALA 15 0.107 -9.515 -3.500 111 HB1 ALA 15 HB1 ALA 15 -0.659 -8.972 -1.229 112 HB2 ALA 15 HB2 ALA 15 -0.976 -7.315 -1.752 113 HB3 ALA 15 HB3 ALA 15 0.671 -7.947 -1.762 114 H ASP 16 HN ASP 16 -2.513 -7.263 -4.041 115 HA ASP 16 HA ASP 16 -4.632 -9.036 -3.396 116 HB2 ASP 16 HB2 ASP 16 -4.826 -6.550 -3.551 117 HB3 ASP 16 HB1 ASP 16 -4.675 -6.687 -5.295 118 H GLU 17 HN GLU 17 -2.921 -8.238 -6.372 119 HA GLU 17 HA GLU 17 -4.432 -9.829 -8.114 120 HB2 GLU 17 HB2 GLU 17 -2.930 -8.058 -8.867 121 HB3 GLU 17 HB1 GLU 17 -1.547 -8.947 -8.243 122 HG2 GLU 17 HG2 GLU 17 -1.997 -10.742 -9.827 123 HG3 GLU 17 HG1 GLU 17 -3.376 -9.821 -10.422 124 H LEU 18 HN LEU 18 -1.689 -10.499 -6.021 125 HA LEU 18 HA LEU 18 -1.232 -13.126 -7.114 126 HB2 LEU 18 HB2 LEU 18 0.004 -11.438 -5.017 127 HB3 LEU 18 HB1 LEU 18 0.169 -13.168 -4.818 128 HG LEU 18 HG LEU 18 2.124 -12.194 -5.918 129 HD11 LEU 18 HD11 LEU 18 0.516 -13.927 -7.775 130 HD12 LEU 18 HD12 LEU 18 1.466 -14.491 -6.402 131 HD13 LEU 18 HD13 LEU 18 2.270 -13.729 -7.777 132 HD21 LEU 18 HD21 LEU 18 1.039 -10.319 -7.051 133 HD22 LEU 18 HD22 LEU 18 0.215 -11.442 -8.133 134 HD23 LEU 18 HD23 LEU 18 1.971 -11.294 -8.186 135 H GLY 19 HN GLY 19 -3.394 -11.823 -4.914 136 HA2 GLY 19 HA2 GLY 19 -5.080 -12.852 -3.740 137 HA3 GLY 19 HA1 GLY 19 -4.489 -14.393 -4.338 138 H CYS 20 HN CYS 20 -2.319 -12.274 -2.674 139 HA CYS 20 HA CYS 20 -2.211 -14.187 -0.466 140 HB2 CYS 20 HB2 CYS 20 -0.112 -13.480 -1.647 141 HB3 CYS 20 HB1 CYS 20 -0.378 -11.848 -1.046 142 HG CYS 20 HG CYS 20 1.645 -13.042 0.455 143 HA PRO 21 HA PRO 21 -5.009 -11.184 1.408 144 HB2 PRO 21 HB2 PRO 21 -5.590 -12.661 3.623 145 HB3 PRO 21 HB1 PRO 21 -6.349 -12.912 2.048 146 HG2 PRO 21 HG2 PRO 21 -4.077 -14.394 3.312 147 HG3 PRO 21 HG1 PRO 21 -5.468 -15.031 2.416 148 HD2 PRO 21 HD2 PRO 21 -3.038 -14.764 1.289 149 HD3 PRO 21 HD1 PRO 21 -4.534 -14.529 0.362 150 H GLU 22 HN GLU 22 -2.488 -12.801 3.384 151 HA GLU 22 HA GLU 22 -2.659 -10.806 5.411 152 HB2 GLU 22 HB2 GLU 22 -1.885 -13.121 5.847 153 HB3 GLU 22 HB1 GLU 22 -0.416 -12.767 4.950 154 HG2 GLU 22 HG2 GLU 22 0.354 -11.267 6.566 155 HG3 GLU 22 HG1 GLU 22 -1.236 -11.122 7.314 156 H GLU 23 HN GLU 23 -0.390 -11.362 2.740 157 HA GLU 23 HA GLU 23 1.222 -9.124 3.392 158 HB2 GLU 23 HB2 GLU 23 0.859 -10.618 0.803 159 HB3 GLU 23 HB1 GLU 23 1.992 -9.289 0.996 160 HG2 GLU 23 HG2 GLU 23 3.083 -10.569 2.821 161 HG3 GLU 23 HG1 GLU 23 2.020 -11.923 2.439 162 H ARG 24 HN ARG 24 -1.659 -9.562 1.439 163 HA ARG 24 HA ARG 24 -1.705 -7.039 0.235 164 HB2 ARG 24 HB2 ARG 24 -3.187 -8.822 -0.489 165 HB3 ARG 24 HB1 ARG 24 -3.987 -8.831 1.076 166 HG2 ARG 24 HG2 ARG 24 -4.814 -6.583 0.678 167 HG3 ARG 24 HG1 ARG 24 -3.991 -6.557 -0.881 168 HD2 ARG 24 HD2 ARG 24 -6.382 -7.064 -1.097 169 HD3 ARG 24 HD1 ARG 24 -5.363 -8.382 -1.669 170 HE ARG 24 HE ARG 24 -6.165 -8.684 1.067 171 HH11 ARG 24 HH11 ARG 24 -7.193 -9.140 -2.269 172 HH12 ARG 24 HH12 ARG 24 -8.239 -10.470 -1.897 173 HH21 ARG 24 HH21 ARG 24 -7.565 -10.446 1.555 174 HH22 ARG 24 HH22 ARG 24 -8.461 -11.205 0.288 175 H ALA 25 HN ALA 25 -3.000 -8.194 3.317 176 HA ALA 25 HA ALA 25 -4.214 -5.798 4.112 177 HB1 ALA 25 HB1 ALA 25 -4.648 -7.950 5.186 178 HB2 ALA 25 HB2 ALA 25 -4.157 -6.729 6.361 179 HB3 ALA 25 HB3 ALA 25 -3.008 -7.958 5.832 180 H GLN 26 HN GLN 26 -0.950 -7.059 4.641 181 HA GLN 26 HA GLN 26 -0.052 -4.960 6.291 182 HB2 GLN 26 HB2 GLN 26 1.053 -7.142 6.150 183 HB3 GLN 26 HB1 GLN 26 1.475 -6.833 4.474 184 HG2 GLN 26 HG2 GLN 26 3.406 -6.476 5.817 185 HG3 GLN 26 HG1 GLN 26 2.831 -4.921 5.221 186 HE21 GLN 26 HE21 GLN 26 3.119 -6.988 8.004 187 HE22 GLN 26 HE22 GLN 26 2.845 -5.760 9.190 188 H LEU 27 HN LEU 27 0.110 -5.500 2.799 189 HA LEU 27 HA LEU 27 1.625 -3.157 2.289 190 HB2 LEU 27 HB2 LEU 27 0.106 -5.015 0.511 191 HB3 LEU 27 HB1 LEU 27 1.003 -3.633 -0.091 192 HG LEU 27 HG LEU 27 2.262 -5.822 1.554 193 HD11 LEU 27 HD11 LEU 27 2.145 -5.484 -1.416 194 HD12 LEU 27 HD12 LEU 27 1.426 -6.782 -0.459 195 HD13 LEU 27 HD13 LEU 27 3.181 -6.628 -0.561 196 HD21 LEU 27 HD21 LEU 27 3.460 -3.700 1.580 197 HD22 LEU 27 HD22 LEU 27 3.426 -3.656 -0.185 198 HD23 LEU 27 HD23 LEU 27 4.344 -4.909 0.647 199 H LEU 28 HN LEU 28 -1.827 -3.905 2.228 200 HA LEU 28 HA LEU 28 -2.628 -1.430 1.114 201 HB2 LEU 28 HB2 LEU 28 -4.001 -3.586 2.617 202 HB3 LEU 28 HB1 LEU 28 -4.799 -2.036 2.454 203 HG LEU 28 HG LEU 28 -3.795 -3.605 0.095 204 HD11 LEU 28 HD11 LEU 28 -6.043 -4.350 -0.231 205 HD12 LEU 28 HD12 LEU 28 -6.568 -3.496 1.224 206 HD13 LEU 28 HD13 LEU 28 -5.462 -4.865 1.351 207 HD21 LEU 28 HD21 LEU 28 -5.340 -2.154 -1.137 208 HD22 LEU 28 HD22 LEU 28 -4.110 -1.215 -0.293 209 HD23 LEU 28 HD23 LEU 28 -5.744 -1.316 0.360 210 H THR 29 HN THR 29 -1.940 -2.505 4.374 211 HA THR 29 HA THR 29 -2.866 -0.210 5.714 212 HB THR 29 HB THR 29 -0.560 -2.030 6.483 213 HG1 THR 29 HG1 THR 29 -2.352 -3.305 6.402 214 HG21 THR 29 HG21 THR 29 -0.566 0.090 7.725 215 HG22 THR 29 HG22 THR 29 -1.004 -1.261 8.769 216 HG23 THR 29 HG23 THR 29 -2.254 -0.173 8.167 217 H ALA 30 HN ALA 30 0.213 -1.060 4.218 218 HA ALA 30 HA ALA 30 1.602 1.316 4.858 219 HB1 ALA 30 HB1 ALA 30 2.567 -0.874 4.067 220 HB2 ALA 30 HB2 ALA 30 3.234 0.591 3.366 221 HB3 ALA 30 HB3 ALA 30 2.090 -0.385 2.438 222 H ALA 31 HN ALA 31 -0.395 0.350 2.111 223 HA ALA 31 HA ALA 31 -0.026 2.574 0.440 224 HB1 ALA 31 HB1 ALA 31 -2.127 1.924 -0.584 225 HB2 ALA 31 HB2 ALA 31 -2.512 0.907 0.804 226 HB3 ALA 31 HB3 ALA 31 -1.147 0.498 -0.235 227 H GLU 32 HN GLU 32 -2.383 1.970 3.019 228 HA GLU 32 HA GLU 32 -3.609 4.533 2.807 229 HB2 GLU 32 HB2 GLU 32 -3.689 2.409 4.938 230 HB3 GLU 32 HB1 GLU 32 -4.582 3.918 5.060 231 HG2 GLU 32 HG2 GLU 32 -4.901 1.834 2.912 232 HG3 GLU 32 HG1 GLU 32 -6.004 2.129 4.255 233 H LYS 33 HN LYS 33 -1.082 3.156 4.836 234 HA LYS 33 HA LYS 33 -0.799 5.151 6.736 235 HB2 LYS 33 HB2 LYS 33 0.376 2.932 6.692 236 HB3 LYS 33 HB1 LYS 33 1.464 3.593 5.481 237 HG2 LYS 33 HG2 LYS 33 2.555 3.689 7.595 238 HG3 LYS 33 HG1 LYS 33 2.129 5.338 7.129 239 HD2 LYS 33 HD2 LYS 33 0.178 5.258 8.588 240 HD3 LYS 33 HD1 LYS 33 0.557 3.591 9.023 241 HE2 LYS 33 HE2 LYS 33 2.687 4.344 9.981 242 HE3 LYS 33 HE1 LYS 33 2.278 6.007 9.566 243 HZ1 LYS 33 HZ1 LYS 33 1.746 5.654 11.839 244 HZ2 LYS 33 HZ2 LYS 33 0.875 4.248 11.497 245 HZ3 LYS 33 HZ3 LYS 33 0.283 5.746 10.999 246 H ALA 34 HN ALA 34 1.015 4.831 3.690 247 HA ALA 34 HA ALA 34 2.370 7.281 3.876 248 HB1 ALA 34 HB1 ALA 34 2.777 7.018 1.466 249 HB2 ALA 34 HB2 ALA 34 1.608 5.695 1.434 250 HB3 ALA 34 HB3 ALA 34 3.091 5.543 2.377 251 H ASP 35 HN ASP 35 -0.788 6.462 2.609 252 HA ASP 35 HA ASP 35 -1.355 8.913 1.326 253 HB2 ASP 35 HB2 ASP 35 -2.691 6.900 0.925 254 HB3 ASP 35 HB1 ASP 35 -3.239 6.910 2.597 255 H GLU 36 HN GLU 36 -1.906 7.746 4.619 256 HA GLU 36 HA GLU 36 -3.223 10.042 5.616 257 HB2 GLU 36 HB2 GLU 36 -1.495 8.053 7.106 258 HB3 GLU 36 HB1 GLU 36 -2.622 9.179 7.837 259 HG2 GLU 36 HG2 GLU 36 -3.393 6.956 5.962 260 HG3 GLU 36 HG1 GLU 36 -3.458 6.861 7.720 261 H LEU 37 HN LEU 37 0.151 9.180 5.230 262 HA LEU 37 HA LEU 37 1.202 11.308 6.836 263 HB2 LEU 37 HB2 LEU 37 2.566 9.647 4.748 264 HB3 LEU 37 HB1 LEU 37 3.346 10.644 5.956 265 HG LEU 37 HG LEU 37 1.730 8.157 6.469 266 HD11 LEU 37 HD11 LEU 37 3.898 7.759 5.491 267 HD12 LEU 37 HD12 LEU 37 3.867 7.245 7.184 268 HD13 LEU 37 HD13 LEU 37 4.648 8.765 6.727 269 HD21 LEU 37 HD21 LEU 37 2.442 8.418 8.802 270 HD22 LEU 37 HD22 LEU 37 1.423 9.756 8.279 271 HD23 LEU 37 HD23 LEU 37 3.168 9.974 8.403 272 H GLY 38 HN GLY 38 -0.026 11.111 3.683 273 HA2 GLY 38 HA2 GLY 38 -0.319 12.801 2.131 274 HA3 GLY 38 HA1 GLY 38 0.619 13.865 3.167 Start of MODEL 12 1 H1 SER 1 HN SER 1 3.567 10.274 2.602 2 HA SER 1 HA SER 1 5.874 11.088 0.963 3 HB2 SER 1 HB2 SER 1 5.348 8.412 2.260 4 HB3 SER 1 HB1 SER 1 6.728 8.801 1.235 5 HG SER 1 HG SER 1 7.387 9.044 3.307 6 HA PRO 2 HA PRO 2 2.679 9.830 -2.119 7 HB2 PRO 2 HB2 PRO 2 4.437 11.496 -3.823 8 HB3 PRO 2 HB1 PRO 2 2.687 11.583 -3.600 9 HG2 PRO 2 HG2 PRO 2 4.291 13.436 -2.554 10 HG3 PRO 2 HG1 PRO 2 2.863 12.858 -1.673 11 HD2 PRO 2 HD2 PRO 2 5.744 12.122 -1.301 12 HD3 PRO 2 HD1 PRO 2 4.503 12.468 -0.077 13 H GLU 3 HN GLU 3 6.189 9.968 -2.397 14 HA GLU 3 HA GLU 3 6.460 8.257 -4.634 15 HB2 GLU 3 HB2 GLU 3 8.436 8.653 -2.387 16 HB3 GLU 3 HB1 GLU 3 8.790 8.121 -4.024 17 HG2 GLU 3 HG2 GLU 3 8.165 10.288 -4.895 18 HG3 GLU 3 HG1 GLU 3 7.713 10.827 -3.280 19 H GLU 4 HN GLU 4 6.554 7.664 -1.156 20 HA GLU 4 HA GLU 4 6.955 4.865 -1.410 21 HB2 GLU 4 HB2 GLU 4 5.854 6.465 0.910 22 HB3 GLU 4 HB1 GLU 4 6.351 4.780 0.986 23 HG2 GLU 4 HG2 GLU 4 8.646 5.463 0.384 24 HG3 GLU 4 HG1 GLU 4 8.125 7.146 0.411 25 H ARG 5 HN ARG 5 4.172 6.974 -1.228 26 HA ARG 5 HA ARG 5 2.181 5.072 -0.809 27 HB2 ARG 5 HB2 ARG 5 1.950 7.564 -0.647 28 HB3 ARG 5 HB1 ARG 5 1.960 7.624 -2.403 29 HG2 ARG 5 HG2 ARG 5 -0.071 6.320 -2.490 30 HG3 ARG 5 HG1 ARG 5 -0.038 6.150 -0.732 31 HD2 ARG 5 HD2 ARG 5 -0.296 8.554 -0.473 32 HD3 ARG 5 HD1 ARG 5 -0.266 8.765 -2.219 33 HE ARG 5 HE ARG 5 -2.335 6.990 -1.317 34 HH11 ARG 5 HH11 ARG 5 -1.501 10.345 -1.893 35 HH12 ARG 5 HH12 ARG 5 -3.143 10.862 -2.062 36 HH21 ARG 5 HH21 ARG 5 -4.513 7.668 -1.574 37 HH22 ARG 5 HH22 ARG 5 -4.867 9.332 -1.883 38 H ALA 6 HN ALA 6 3.649 6.309 -3.786 39 HA ALA 6 HA ALA 6 1.977 4.980 -5.605 40 HB1 ALA 6 HB1 ALA 6 3.500 6.792 -6.250 41 HB2 ALA 6 HB2 ALA 6 3.744 5.357 -7.247 42 HB3 ALA 6 HB3 ALA 6 4.881 5.735 -5.951 43 H GLN 7 HN GLN 7 5.016 3.981 -4.085 44 HA GLN 7 HA GLN 7 5.206 1.487 -5.415 45 HB2 GLN 7 HB2 GLN 7 6.614 2.861 -3.278 46 HB3 GLN 7 HB1 GLN 7 6.476 1.138 -2.964 47 HG2 GLN 7 HG2 GLN 7 8.545 1.653 -4.118 48 HG3 GLN 7 HG1 GLN 7 7.500 0.647 -5.117 49 HE21 GLN 7 HE21 GLN 7 8.490 1.274 -7.010 50 HE22 GLN 7 HE22 GLN 7 8.290 2.849 -7.692 51 H LEU 8 HN LEU 8 3.753 2.442 -2.353 52 HA LEU 8 HA LEU 8 3.045 -0.179 -1.547 53 HB2 LEU 8 HB2 LEU 8 2.027 2.523 -0.730 54 HB3 LEU 8 HB1 LEU 8 1.525 1.025 0.035 55 HG LEU 8 HG LEU 8 4.417 1.835 -0.119 56 HD11 LEU 8 HD11 LEU 8 2.410 2.470 2.020 57 HD12 LEU 8 HD12 LEU 8 3.291 3.613 1.002 58 HD13 LEU 8 HD13 LEU 8 4.159 2.639 2.189 59 HD21 LEU 8 HD21 LEU 8 3.920 -0.520 0.362 60 HD22 LEU 8 HD22 LEU 8 2.910 -0.014 1.721 61 HD23 LEU 8 HD23 LEU 8 4.644 0.296 1.749 62 H LEU 9 HN LEU 9 1.369 2.337 -3.346 63 HA LEU 9 HA LEU 9 -1.147 1.089 -3.469 64 HB2 LEU 9 HB2 LEU 9 0.217 3.219 -5.017 65 HB3 LEU 9 HB1 LEU 9 -1.268 2.531 -5.640 66 HG LEU 9 HG LEU 9 -1.156 3.560 -2.841 67 HD11 LEU 9 HD11 LEU 9 -1.907 5.701 -3.625 68 HD12 LEU 9 HD12 LEU 9 -1.764 5.165 -5.303 69 HD13 LEU 9 HD13 LEU 9 -0.322 5.324 -4.298 70 HD21 LEU 9 HD21 LEU 9 -3.550 3.893 -3.253 71 HD22 LEU 9 HD22 LEU 9 -3.075 2.215 -3.502 72 HD23 LEU 9 HD23 LEU 9 -3.351 3.268 -4.888 73 H THR 10 HN THR 10 1.665 0.946 -5.613 74 HA THR 10 HA THR 10 0.395 -0.792 -7.474 75 HB THR 10 HB THR 10 2.834 -1.264 -8.185 76 HG1 THR 10 HG1 THR 10 3.396 1.089 -6.712 77 HG21 THR 10 HG21 THR 10 2.999 0.911 -9.324 78 HG22 THR 10 HG22 THR 10 1.757 1.560 -8.252 79 HG23 THR 10 HG23 THR 10 1.357 0.270 -9.386 80 H ALA 11 HN ALA 11 2.279 -1.218 -4.562 81 HA ALA 11 HA ALA 11 2.764 -3.984 -4.724 82 HB1 ALA 11 HB1 ALA 11 2.279 -2.379 -2.230 83 HB2 ALA 11 HB2 ALA 11 3.811 -2.436 -3.100 84 HB3 ALA 11 HB3 ALA 11 3.159 -3.903 -2.372 85 H ALA 12 HN ALA 12 0.009 -2.134 -3.572 86 HA ALA 12 HA ALA 12 -1.560 -4.203 -2.480 87 HB1 ALA 12 HB1 ALA 12 -2.059 -1.844 -2.187 88 HB2 ALA 12 HB2 ALA 12 -3.434 -2.693 -2.894 89 HB3 ALA 12 HB3 ALA 12 -2.402 -1.688 -3.911 90 H GLU 13 HN GLU 13 -1.326 -2.887 -5.752 91 HA GLU 13 HA GLU 13 -3.250 -4.615 -6.924 92 HB2 GLU 13 HB2 GLU 13 -0.973 -3.116 -8.233 93 HB3 GLU 13 HB1 GLU 13 -2.385 -3.773 -9.050 94 HG2 GLU 13 HG2 GLU 13 -3.821 -2.233 -7.846 95 HG3 GLU 13 HG1 GLU 13 -2.434 -1.607 -6.961 96 H LYS 14 HN LYS 14 0.204 -4.763 -6.407 97 HA LYS 14 HA LYS 14 0.814 -6.953 -8.069 98 HB2 LYS 14 HB2 LYS 14 2.516 -5.444 -7.145 99 HB3 LYS 14 HB1 LYS 14 2.148 -6.016 -5.527 100 HG2 LYS 14 HG2 LYS 14 2.887 -8.284 -6.219 101 HG3 LYS 14 HG1 LYS 14 3.381 -7.601 -7.768 102 HD2 LYS 14 HD2 LYS 14 5.301 -7.760 -6.293 103 HD3 LYS 14 HD1 LYS 14 4.905 -6.064 -6.574 104 HE2 LYS 14 HE2 LYS 14 3.781 -5.947 -4.418 105 HE3 LYS 14 HE1 LYS 14 4.079 -7.663 -4.148 106 HZ1 LYS 14 HZ1 LYS 14 6.437 -7.216 -4.122 107 HZ2 LYS 14 HZ2 LYS 14 5.660 -6.266 -2.968 108 HZ3 LYS 14 HZ3 LYS 14 6.171 -5.577 -4.425 109 H ALA 15 HN ALA 15 -0.020 -6.768 -4.616 110 HA ALA 15 HA ALA 15 0.253 -9.540 -4.122 111 HB1 ALA 15 HB1 ALA 15 0.287 -7.909 -2.329 112 HB2 ALA 15 HB2 ALA 15 -0.986 -9.101 -2.057 113 HB3 ALA 15 HB3 ALA 15 -1.395 -7.493 -2.654 114 H ASP 16 HN ASP 16 -2.430 -7.548 -5.165 115 HA ASP 16 HA ASP 16 -4.455 -9.506 -4.965 116 HB2 ASP 16 HB2 ASP 16 -4.864 -7.073 -5.264 117 HB3 ASP 16 HB1 ASP 16 -4.258 -7.200 -6.908 118 H GLU 17 HN GLU 17 -2.248 -8.570 -7.524 119 HA GLU 17 HA GLU 17 -3.185 -10.238 -9.563 120 HB2 GLU 17 HB2 GLU 17 -1.573 -8.272 -9.674 121 HB3 GLU 17 HB1 GLU 17 -0.330 -9.395 -9.150 122 HG2 GLU 17 HG2 GLU 17 -0.867 -10.800 -11.121 123 HG3 GLU 17 HG1 GLU 17 -1.960 -9.517 -11.645 124 H LEU 18 HN LEU 18 -0.930 -10.776 -6.915 125 HA LEU 18 HA LEU 18 -0.131 -13.381 -7.869 126 HB2 LEU 18 HB2 LEU 18 0.515 -11.692 -5.523 127 HB3 LEU 18 HB1 LEU 18 0.749 -13.419 -5.367 128 HG LEU 18 HG LEU 18 2.224 -13.349 -7.375 129 HD11 LEU 18 HD11 LEU 18 1.374 -11.334 -8.410 130 HD12 LEU 18 HD12 LEU 18 3.105 -11.185 -8.094 131 HD13 LEU 18 HD13 LEU 18 1.939 -10.375 -7.045 132 HD21 LEU 18 HD21 LEU 18 3.128 -13.359 -5.136 133 HD22 LEU 18 HD22 LEU 18 3.007 -11.601 -5.059 134 HD23 LEU 18 HD23 LEU 18 4.117 -12.361 -6.201 135 H GLY 19 HN GLY 19 -2.776 -12.150 -6.224 136 HA2 GLY 19 HA2 GLY 19 -4.640 -13.295 -5.473 137 HA3 GLY 19 HA1 GLY 19 -3.768 -14.800 -5.726 138 H CYS 20 HN CYS 20 -2.586 -12.119 -3.832 139 HA CYS 20 HA CYS 20 -2.801 -13.792 -1.420 140 HB2 CYS 20 HB2 CYS 20 -0.900 -11.505 -1.969 141 HB3 CYS 20 HB1 CYS 20 -0.879 -12.564 -0.565 142 HG CYS 20 HG CYS 20 -0.687 -14.598 -3.018 143 HA PRO 21 HA PRO 21 -5.885 -10.437 -0.800 144 HB2 PRO 21 HB2 PRO 21 -7.308 -11.782 1.108 145 HB3 PRO 21 HB1 PRO 21 -7.560 -11.982 -0.630 146 HG2 PRO 21 HG2 PRO 21 -5.998 -13.689 1.267 147 HG3 PRO 21 HG1 PRO 21 -7.091 -14.177 -0.040 148 HD2 PRO 21 HD2 PRO 21 -4.416 -14.224 -0.319 149 HD3 PRO 21 HD1 PRO 21 -5.494 -13.833 -1.674 150 H GLU 22 HN GLU 22 -4.332 -12.297 1.815 151 HA GLU 22 HA GLU 22 -4.832 -10.335 3.799 152 HB2 GLU 22 HB2 GLU 22 -4.410 -12.693 4.349 153 HB3 GLU 22 HB1 GLU 22 -2.760 -12.534 3.769 154 HG2 GLU 22 HG2 GLU 22 -2.157 -11.135 5.554 155 HG3 GLU 22 HG1 GLU 22 -3.838 -10.857 6.007 156 H GLU 23 HN GLU 23 -2.006 -11.059 1.781 157 HA GLU 23 HA GLU 23 -0.397 -8.985 2.848 158 HB2 GLU 23 HB2 GLU 23 -0.296 -10.294 0.122 159 HB3 GLU 23 HB1 GLU 23 0.941 -9.225 0.768 160 HG2 GLU 23 HG2 GLU 23 1.258 -10.839 2.634 161 HG3 GLU 23 HG1 GLU 23 0.151 -11.933 1.807 162 H ARG 24 HN ARG 24 -2.704 -9.169 0.210 163 HA ARG 24 HA ARG 24 -2.299 -6.661 -0.943 164 HB2 ARG 24 HB2 ARG 24 -3.640 -8.439 -1.964 165 HB3 ARG 24 HB1 ARG 24 -4.838 -8.278 -0.691 166 HG2 ARG 24 HG2 ARG 24 -5.186 -5.917 -1.462 167 HG3 ARG 24 HG1 ARG 24 -4.164 -6.308 -2.847 168 HD2 ARG 24 HD2 ARG 24 -6.529 -6.557 -3.407 169 HD3 ARG 24 HD1 ARG 24 -5.692 -8.106 -3.477 170 HE ARG 24 HE ARG 24 -6.901 -7.630 -0.928 171 HH11 ARG 24 HH11 ARG 24 -7.600 -8.717 -4.204 172 HH12 ARG 24 HH12 ARG 24 -8.942 -9.695 -3.709 173 HH21 ARG 24 HH21 ARG 24 -8.672 -8.925 -0.295 174 HH22 ARG 24 HH22 ARG 24 -9.551 -9.817 -1.490 175 H ALA 25 HN ALA 25 -4.451 -7.684 1.683 176 HA ALA 25 HA ALA 25 -5.766 -5.255 2.082 177 HB1 ALA 25 HB1 ALA 25 -6.365 -6.122 4.265 178 HB2 ALA 25 HB2 ALA 25 -5.106 -7.351 4.146 179 HB3 ALA 25 HB3 ALA 25 -6.487 -7.395 3.051 180 H GLN 26 HN GLN 26 -2.757 -6.482 3.455 181 HA GLN 26 HA GLN 26 -2.348 -4.290 5.213 182 HB2 GLN 26 HB2 GLN 26 -0.398 -6.301 4.087 183 HB3 GLN 26 HB1 GLN 26 -0.030 -5.168 5.382 184 HG2 GLN 26 HG2 GLN 26 -1.679 -6.186 6.804 185 HG3 GLN 26 HG1 GLN 26 -2.196 -7.252 5.500 186 HE21 GLN 26 HE21 GLN 26 -1.760 -9.081 6.669 187 HE22 GLN 26 HE22 GLN 26 -0.156 -9.620 7.011 188 H LEU 27 HN LEU 27 -1.242 -5.034 1.954 189 HA LEU 27 HA LEU 27 0.424 -2.773 1.680 190 HB2 LEU 27 HB2 LEU 27 -0.890 -4.578 -0.311 191 HB3 LEU 27 HB1 LEU 27 0.204 -3.282 -0.766 192 HG LEU 27 HG LEU 27 1.013 -5.456 1.150 193 HD11 LEU 27 HD11 LEU 27 2.107 -6.531 -0.731 194 HD12 LEU 27 HD12 LEU 27 1.363 -5.357 -1.821 195 HD13 LEU 27 HD13 LEU 27 0.354 -6.488 -0.918 196 HD21 LEU 27 HD21 LEU 27 2.583 -3.563 -0.584 197 HD22 LEU 27 HD22 LEU 27 3.255 -4.770 0.511 198 HD23 LEU 27 HD23 LEU 27 2.346 -3.402 1.158 199 H LEU 28 HN LEU 28 -2.980 -3.351 1.086 200 HA LEU 28 HA LEU 28 -3.534 -0.969 -0.307 201 HB2 LEU 28 HB2 LEU 28 -5.237 -2.837 1.292 202 HB3 LEU 28 HB1 LEU 28 -5.883 -1.388 0.550 203 HG LEU 28 HG LEU 28 -4.428 -3.457 -1.061 204 HD11 LEU 28 HD11 LEU 28 -6.607 -4.337 -1.664 205 HD12 LEU 28 HD12 LEU 28 -7.363 -3.276 -0.468 206 HD13 LEU 28 HD13 LEU 28 -6.258 -4.554 0.050 207 HD21 LEU 28 HD21 LEU 28 -4.713 -1.231 -2.053 208 HD22 LEU 28 HD22 LEU 28 -6.449 -1.340 -1.779 209 HD23 LEU 28 HD23 LEU 28 -5.666 -2.451 -2.898 210 H THR 29 HN THR 29 -3.669 -1.776 3.161 211 HA THR 29 HA THR 29 -4.612 0.752 3.989 212 HB THR 29 HB THR 29 -3.554 0.084 6.243 213 HG1 THR 29 HG1 THR 29 -2.232 -1.615 4.862 214 HG21 THR 29 HG21 THR 29 -5.925 -0.218 5.737 215 HG22 THR 29 HG22 THR 29 -5.310 -1.582 6.670 216 HG23 THR 29 HG23 THR 29 -5.570 -1.747 4.934 217 H ALA 30 HN ALA 30 -1.443 -0.469 3.264 218 HA ALA 30 HA ALA 30 0.131 1.563 4.407 219 HB1 ALA 30 HB1 ALA 30 0.760 -0.032 1.945 220 HB2 ALA 30 HB2 ALA 30 0.927 -0.639 3.592 221 HB3 ALA 30 HB3 ALA 30 1.887 0.741 3.064 222 H ALA 31 HN ALA 31 -1.589 1.324 1.360 223 HA ALA 31 HA ALA 31 -0.470 3.480 -0.056 224 HB1 ALA 31 HB1 ALA 31 -2.554 3.464 -1.312 225 HB2 ALA 31 HB2 ALA 31 -3.297 2.445 -0.080 226 HB3 ALA 31 HB3 ALA 31 -1.955 1.828 -1.043 227 H GLU 32 HN GLU 32 -3.232 3.382 2.206 228 HA GLU 32 HA GLU 32 -3.760 6.188 2.037 229 HB2 GLU 32 HB2 GLU 32 -4.767 3.922 3.661 230 HB3 GLU 32 HB1 GLU 32 -4.929 5.520 4.367 231 HG2 GLU 32 HG2 GLU 32 -6.949 4.901 3.201 232 HG3 GLU 32 HG1 GLU 32 -6.174 6.262 2.399 233 H LYS 33 HN LYS 33 -1.969 4.137 4.260 234 HA LYS 33 HA LYS 33 -1.459 6.145 6.160 235 HB2 LYS 33 HB2 LYS 33 -0.177 3.494 5.592 236 HB3 LYS 33 HB1 LYS 33 0.490 4.564 6.813 237 HG2 LYS 33 HG2 LYS 33 -2.320 3.470 6.775 238 HG3 LYS 33 HG1 LYS 33 -1.000 2.903 7.800 239 HD2 LYS 33 HD2 LYS 33 -0.901 4.998 8.952 240 HD3 LYS 33 HD1 LYS 33 -2.025 5.743 7.822 241 HE2 LYS 33 HE2 LYS 33 -3.724 4.043 8.589 242 HE3 LYS 33 HE1 LYS 33 -2.593 3.634 9.882 243 HZ1 LYS 33 HZ1 LYS 33 -4.227 5.275 10.597 244 HZ2 LYS 33 HZ2 LYS 33 -3.717 6.333 9.370 245 HZ3 LYS 33 HZ3 LYS 33 -2.663 5.917 10.629 246 H ALA 34 HN ALA 34 0.244 5.200 3.262 247 HA ALA 34 HA ALA 34 2.588 6.670 3.717 248 HB1 ALA 34 HB1 ALA 34 2.347 4.991 1.959 249 HB2 ALA 34 HB2 ALA 34 2.951 6.524 1.331 250 HB3 ALA 34 HB3 ALA 34 1.263 6.072 1.084 251 H ASP 35 HN ASP 35 -0.558 7.606 2.444 252 HA ASP 35 HA ASP 35 0.198 10.221 1.629 253 HB2 ASP 35 HB2 ASP 35 -1.869 9.181 0.806 254 HB3 ASP 35 HB1 ASP 35 -2.522 9.164 2.439 255 H GLU 36 HN GLU 36 -1.163 8.879 4.600 256 HA GLU 36 HA GLU 36 -1.383 11.312 5.998 257 HB2 GLU 36 HB2 GLU 36 -0.936 8.519 7.060 258 HB3 GLU 36 HB1 GLU 36 -1.367 9.906 8.050 259 HG2 GLU 36 HG2 GLU 36 -3.448 10.135 6.717 260 HG3 GLU 36 HG1 GLU 36 -3.023 8.642 5.882 261 H LEU 37 HN LEU 37 1.302 9.127 5.485 262 HA LEU 37 HA LEU 37 3.076 10.394 7.347 263 HB2 LEU 37 HB2 LEU 37 3.666 8.611 5.011 264 HB3 LEU 37 HB1 LEU 37 4.801 9.069 6.261 265 HG LEU 37 HG LEU 37 2.325 7.402 6.644 266 HD11 LEU 37 HD11 LEU 37 5.226 6.704 6.799 267 HD12 LEU 37 HD12 LEU 37 4.170 6.357 5.432 268 HD13 LEU 37 HD13 LEU 37 3.862 5.601 7.003 269 HD21 LEU 37 HD21 LEU 37 3.182 7.060 8.916 270 HD22 LEU 37 HD22 LEU 37 2.784 8.750 8.616 271 HD23 LEU 37 HD23 LEU 37 4.467 8.225 8.602 272 H GLY 38 HN GLY 38 1.945 11.146 4.249 273 HA2 GLY 38 HA2 GLY 38 2.387 12.993 2.943 274 HA3 GLY 38 HA1 GLY 38 3.653 13.442 4.076 Start of MODEL 13 1 H1 SER 1 HN SER 1 1.997 10.066 2.198 2 HA SER 1 HA SER 1 3.875 11.357 0.357 3 HB2 SER 1 HB2 SER 1 4.807 9.902 2.132 4 HB3 SER 1 HB1 SER 1 3.873 8.549 1.500 5 HG SER 1 HG SER 1 6.119 8.688 0.813 6 HA PRO 2 HA PRO 2 0.770 9.873 -2.654 7 HB2 PRO 2 HB2 PRO 2 2.449 11.460 -4.498 8 HB3 PRO 2 HB1 PRO 2 0.714 11.564 -4.186 9 HG2 PRO 2 HG2 PRO 2 2.389 13.442 -3.294 10 HG3 PRO 2 HG1 PRO 2 0.992 12.920 -2.335 11 HD2 PRO 2 HD2 PRO 2 3.876 12.177 -2.037 12 HD3 PRO 2 HD1 PRO 2 2.678 12.570 -0.786 13 H GLU 3 HN GLU 3 4.279 10.013 -3.302 14 HA GLU 3 HA GLU 3 4.158 8.188 -5.477 15 HB2 GLU 3 HB2 GLU 3 5.998 9.811 -5.148 16 HB3 GLU 3 HB1 GLU 3 6.528 8.891 -3.747 17 HG2 GLU 3 HG2 GLU 3 6.892 6.941 -5.214 18 HG3 GLU 3 HG1 GLU 3 6.468 7.947 -6.598 19 H GLU 4 HN GLU 4 5.045 7.815 -2.070 20 HA GLU 4 HA GLU 4 5.614 5.046 -2.306 21 HB2 GLU 4 HB2 GLU 4 4.995 6.729 0.120 22 HB3 GLU 4 HB1 GLU 4 5.542 5.058 0.183 23 HG2 GLU 4 HG2 GLU 4 7.624 5.665 -0.890 24 HG3 GLU 4 HG1 GLU 4 7.076 7.332 -1.055 25 H ARG 5 HN ARG 5 2.741 6.902 -1.525 26 HA ARG 5 HA ARG 5 1.116 4.802 -0.665 27 HB2 ARG 5 HB2 ARG 5 0.606 7.244 -0.492 28 HB3 ARG 5 HB1 ARG 5 0.289 7.252 -2.221 29 HG2 ARG 5 HG2 ARG 5 -1.474 5.548 -1.827 30 HG3 ARG 5 HG1 ARG 5 -1.195 5.770 -0.099 31 HD2 ARG 5 HD2 ARG 5 -1.837 8.069 -0.224 32 HD3 ARG 5 HD1 ARG 5 -1.918 7.996 -1.982 33 HE ARG 5 HE ARG 5 -3.710 6.288 -0.418 34 HH11 ARG 5 HH11 ARG 5 -3.268 9.069 -2.507 35 HH12 ARG 5 HH12 ARG 5 -4.946 9.208 -2.890 36 HH21 ARG 5 HH21 ARG 5 -5.925 6.469 -0.929 37 HH22 ARG 5 HH22 ARG 5 -6.472 7.727 -1.983 38 H ALA 6 HN ALA 6 1.707 6.175 -3.878 39 HA ALA 6 HA ALA 6 -0.060 4.538 -5.308 40 HB1 ALA 6 HB1 ALA 6 1.222 5.177 -7.284 41 HB2 ALA 6 HB2 ALA 6 2.516 5.790 -6.254 42 HB3 ALA 6 HB3 ALA 6 0.934 6.569 -6.240 43 H GLN 7 HN GLN 7 3.348 4.120 -4.462 44 HA GLN 7 HA GLN 7 3.794 1.744 -5.908 45 HB2 GLN 7 HB2 GLN 7 5.096 2.778 -3.388 46 HB3 GLN 7 HB1 GLN 7 5.696 1.419 -4.325 47 HG2 GLN 7 HG2 GLN 7 6.236 2.799 -6.162 48 HG3 GLN 7 HG1 GLN 7 5.328 4.157 -5.499 49 HE21 GLN 7 HE21 GLN 7 8.138 3.949 -6.314 50 HE22 GLN 7 HE22 GLN 7 9.055 4.416 -4.923 51 H LEU 8 HN LEU 8 2.769 2.291 -2.565 52 HA LEU 8 HA LEU 8 2.641 -0.458 -1.886 53 HB2 LEU 8 HB2 LEU 8 1.427 1.983 -0.633 54 HB3 LEU 8 HB1 LEU 8 1.315 0.377 0.066 55 HG LEU 8 HG LEU 8 3.968 1.654 -0.557 56 HD11 LEU 8 HD11 LEU 8 2.803 3.131 0.930 57 HD12 LEU 8 HD12 LEU 8 4.076 2.274 1.804 58 HD13 LEU 8 HD13 LEU 8 2.388 1.787 1.991 59 HD21 LEU 8 HD21 LEU 8 4.780 0.055 1.091 60 HD22 LEU 8 HD22 LEU 8 3.940 -0.773 -0.222 61 HD23 LEU 8 HD23 LEU 8 3.139 -0.538 1.334 62 H LEU 9 HN LEU 9 0.234 1.867 -3.018 63 HA LEU 9 HA LEU 9 -1.992 0.152 -2.757 64 HB2 LEU 9 HB2 LEU 9 -1.462 2.696 -4.176 65 HB3 LEU 9 HB1 LEU 9 -2.888 1.776 -4.602 66 HG LEU 9 HG LEU 9 -2.316 2.511 -1.759 67 HD11 LEU 9 HD11 LEU 9 -3.988 4.072 -3.698 68 HD12 LEU 9 HD12 LEU 9 -2.349 4.511 -3.217 69 HD13 LEU 9 HD13 LEU 9 -3.634 4.457 -2.008 70 HD21 LEU 9 HD21 LEU 9 -4.746 2.228 -1.564 71 HD22 LEU 9 HD22 LEU 9 -3.966 0.759 -2.145 72 HD23 LEU 9 HD23 LEU 9 -4.830 1.803 -3.273 73 H THR 10 HN THR 10 0.280 0.686 -5.409 74 HA THR 10 HA THR 10 -1.172 -0.947 -7.238 75 HB THR 10 HB THR 10 1.076 -1.044 -8.470 76 HG1 THR 10 HG1 THR 10 1.832 1.088 -6.787 77 HG21 THR 10 HG21 THR 10 -0.692 0.540 -9.061 78 HG22 THR 10 HG22 THR 10 0.898 1.286 -9.221 79 HG23 THR 10 HG23 THR 10 -0.114 1.656 -7.825 80 H ALA 11 HN ALA 11 1.404 -1.484 -4.913 81 HA ALA 11 HA ALA 11 1.993 -4.170 -5.526 82 HB1 ALA 11 HB1 ALA 11 3.385 -2.760 -4.092 83 HB2 ALA 11 HB2 ALA 11 2.938 -4.269 -3.299 84 HB3 ALA 11 HB3 ALA 11 2.116 -2.766 -2.868 85 H ALA 12 HN ALA 12 -0.459 -2.682 -3.492 86 HA ALA 12 HA ALA 12 -1.589 -4.966 -2.286 87 HB1 ALA 12 HB1 ALA 12 -2.857 -2.378 -3.161 88 HB2 ALA 12 HB2 ALA 12 -2.138 -2.723 -1.586 89 HB3 ALA 12 HB3 ALA 12 -3.602 -3.566 -2.095 90 H GLU 13 HN GLU 13 -2.218 -3.351 -5.360 91 HA GLU 13 HA GLU 13 -4.342 -5.036 -6.205 92 HB2 GLU 13 HB2 GLU 13 -3.884 -2.729 -7.057 93 HB3 GLU 13 HB1 GLU 13 -2.465 -3.355 -7.880 94 HG2 GLU 13 HG2 GLU 13 -4.258 -3.125 -9.447 95 HG3 GLU 13 HG1 GLU 13 -3.929 -4.840 -9.197 96 H LYS 14 HN LYS 14 -0.861 -4.986 -6.763 97 HA LYS 14 HA LYS 14 -0.789 -7.072 -8.662 98 HB2 LYS 14 HB2 LYS 14 1.345 -5.989 -6.829 99 HB3 LYS 14 HB1 LYS 14 1.662 -7.170 -8.084 100 HG2 LYS 14 HG2 LYS 14 0.738 -4.326 -8.420 101 HG3 LYS 14 HG1 LYS 14 2.267 -5.037 -8.936 102 HD2 LYS 14 HD2 LYS 14 1.010 -6.491 -10.504 103 HD3 LYS 14 HD1 LYS 14 -0.475 -5.670 -10.030 104 HE2 LYS 14 HE2 LYS 14 0.308 -4.711 -12.086 105 HE3 LYS 14 HE1 LYS 14 0.519 -3.531 -10.795 106 HZ1 LYS 14 HZ1 LYS 14 2.639 -5.265 -11.929 107 HZ2 LYS 14 HZ2 LYS 14 2.852 -4.150 -10.677 108 HZ3 LYS 14 HZ3 LYS 14 2.445 -3.609 -12.224 109 H ALA 15 HN ALA 15 -0.450 -7.067 -5.147 110 HA ALA 15 HA ALA 15 0.234 -9.793 -4.872 111 HB1 ALA 15 HB1 ALA 15 -0.465 -9.539 -2.540 112 HB2 ALA 15 HB2 ALA 15 -1.219 -7.994 -2.936 113 HB3 ALA 15 HB3 ALA 15 0.529 -8.182 -3.068 114 H ASP 16 HN ASP 16 -2.828 -8.118 -5.128 115 HA ASP 16 HA ASP 16 -4.517 -10.313 -4.546 116 HB2 ASP 16 HB2 ASP 16 -5.327 -8.009 -4.532 117 HB3 ASP 16 HB1 ASP 16 -4.998 -7.868 -6.249 118 H GLU 17 HN GLU 17 -3.129 -9.017 -7.500 119 HA GLU 17 HA GLU 17 -4.367 -10.760 -9.305 120 HB2 GLU 17 HB2 GLU 17 -3.277 -8.657 -9.953 121 HB3 GLU 17 HB1 GLU 17 -1.717 -9.321 -9.489 122 HG2 GLU 17 HG2 GLU 17 -1.915 -9.431 -11.856 123 HG3 GLU 17 HG1 GLU 17 -2.005 -11.057 -11.173 124 H LEU 18 HN LEU 18 -1.609 -11.065 -7.213 125 HA LEU 18 HA LEU 18 -0.592 -13.462 -8.450 126 HB2 LEU 18 HB2 LEU 18 0.051 -12.148 -5.824 127 HB3 LEU 18 HB1 LEU 18 0.904 -13.524 -6.486 128 HG LEU 18 HG LEU 18 0.809 -10.751 -7.663 129 HD11 LEU 18 HD11 LEU 18 3.021 -12.327 -6.392 130 HD12 LEU 18 HD12 LEU 18 2.195 -10.935 -5.688 131 HD13 LEU 18 HD13 LEU 18 3.186 -10.737 -7.137 132 HD21 LEU 18 HD21 LEU 18 2.230 -13.228 -8.631 133 HD22 LEU 18 HD22 LEU 18 2.440 -11.605 -9.282 134 HD23 LEU 18 HD23 LEU 18 0.883 -12.419 -9.432 135 H GLY 19 HN GLY 19 -3.130 -12.736 -6.379 136 HA2 GLY 19 HA2 GLY 19 -4.643 -14.130 -5.345 137 HA3 GLY 19 HA1 GLY 19 -3.691 -15.503 -5.891 138 H CYS 20 HN CYS 20 -2.431 -12.832 -4.028 139 HA CYS 20 HA CYS 20 -2.021 -14.681 -1.779 140 HB2 CYS 20 HB2 CYS 20 -0.342 -12.294 -2.577 141 HB3 CYS 20 HB1 CYS 20 -0.015 -13.383 -1.234 142 HG CYS 20 HG CYS 20 1.754 -13.835 -3.431 143 HA PRO 21 HA PRO 21 -5.015 -11.585 -0.247 144 HB2 PRO 21 HB2 PRO 21 -5.441 -13.634 1.829 145 HB3 PRO 21 HB1 PRO 21 -6.608 -12.872 0.748 146 HG2 PRO 21 HG2 PRO 21 -5.856 -15.425 0.418 147 HG3 PRO 21 HG1 PRO 21 -6.213 -14.371 -0.963 148 HD2 PRO 21 HD2 PRO 21 -3.563 -15.196 0.159 149 HD3 PRO 21 HD1 PRO 21 -4.073 -15.047 -1.537 150 H GLU 22 HN GLU 22 -2.768 -13.497 1.756 151 HA GLU 22 HA GLU 22 -2.802 -11.691 3.938 152 HB2 GLU 22 HB2 GLU 22 -2.050 -14.045 4.118 153 HB3 GLU 22 HB1 GLU 22 -0.630 -13.644 3.163 154 HG2 GLU 22 HG2 GLU 22 0.239 -12.256 4.867 155 HG3 GLU 22 HG1 GLU 22 -1.276 -12.301 5.768 156 H GLU 23 HN GLU 23 -0.655 -12.049 1.156 157 HA GLU 23 HA GLU 23 1.158 -9.995 1.850 158 HB2 GLU 23 HB2 GLU 23 1.564 -11.720 0.091 159 HB3 GLU 23 HB1 GLU 23 0.359 -10.935 -0.914 160 HG2 GLU 23 HG2 GLU 23 2.521 -10.278 -1.669 161 HG3 GLU 23 HG1 GLU 23 1.760 -8.889 -0.898 162 H ARG 24 HN ARG 24 -1.806 -10.073 -0.046 163 HA ARG 24 HA ARG 24 -1.834 -7.416 -0.901 164 HB2 ARG 24 HB2 ARG 24 -3.320 -9.218 -1.754 165 HB3 ARG 24 HB1 ARG 24 -4.206 -9.166 -0.237 166 HG2 ARG 24 HG2 ARG 24 -4.690 -6.756 -0.722 167 HG3 ARG 24 HG1 ARG 24 -4.006 -7.025 -2.326 168 HD2 ARG 24 HD2 ARG 24 -5.666 -8.793 -2.716 169 HD3 ARG 24 HD1 ARG 24 -6.358 -8.476 -1.126 170 HE ARG 24 HE ARG 24 -6.214 -6.211 -2.931 171 HH11 ARG 24 HH11 ARG 24 -8.193 -8.814 -1.650 172 HH12 ARG 24 HH12 ARG 24 -9.687 -8.052 -2.060 173 HH21 ARG 24 HH21 ARG 24 -8.190 -5.201 -3.470 174 HH22 ARG 24 HH22 ARG 24 -9.689 -5.987 -3.104 175 H ALA 25 HN ALA 25 -3.105 -8.936 2.033 176 HA ALA 25 HA ALA 25 -4.413 -6.704 3.109 177 HB1 ALA 25 HB1 ALA 25 -4.294 -7.889 5.243 178 HB2 ALA 25 HB2 ALA 25 -3.096 -8.993 4.569 179 HB3 ALA 25 HB3 ALA 25 -4.741 -8.983 3.935 180 H GLN 26 HN GLN 26 -1.093 -7.835 3.475 181 HA GLN 26 HA GLN 26 -0.282 -5.884 5.350 182 HB2 GLN 26 HB2 GLN 26 1.385 -7.397 3.332 183 HB3 GLN 26 HB1 GLN 26 2.002 -6.549 4.742 184 HG2 GLN 26 HG2 GLN 26 0.823 -8.075 6.209 185 HG3 GLN 26 HG1 GLN 26 0.115 -8.890 4.820 186 HE21 GLN 26 HE21 GLN 26 1.777 -9.942 6.946 187 HE22 GLN 26 HE22 GLN 26 3.156 -10.648 6.180 188 H LEU 27 HN LEU 27 -0.187 -6.000 1.831 189 HA LEU 27 HA LEU 27 1.165 -3.521 1.535 190 HB2 LEU 27 HB2 LEU 27 -0.384 -5.230 -0.367 191 HB3 LEU 27 HB1 LEU 27 0.449 -3.760 -0.844 192 HG LEU 27 HG LEU 27 1.915 -5.981 0.545 193 HD11 LEU 27 HD11 LEU 27 0.833 -6.948 -1.376 194 HD12 LEU 27 HD12 LEU 27 2.573 -6.797 -1.641 195 HD13 LEU 27 HD13 LEU 27 1.457 -5.653 -2.395 196 HD21 LEU 27 HD21 LEU 27 3.838 -4.992 -0.520 197 HD22 LEU 27 HD22 LEU 27 2.960 -3.741 0.364 198 HD23 LEU 27 HD23 LEU 27 2.809 -3.861 -1.394 199 H LEU 28 HN LEU 28 -2.227 -4.490 1.550 200 HA LEU 28 HA LEU 28 -3.298 -2.019 0.709 201 HB2 LEU 28 HB2 LEU 28 -4.418 -4.365 2.164 202 HB3 LEU 28 HB1 LEU 28 -5.353 -2.899 1.981 203 HG LEU 28 HG LEU 28 -4.202 -4.394 -0.354 204 HD11 LEU 28 HD11 LEU 28 -6.429 -5.277 -0.679 205 HD12 LEU 28 HD12 LEU 28 -6.955 -4.518 0.828 206 HD13 LEU 28 HD13 LEU 28 -5.747 -5.805 0.858 207 HD21 LEU 28 HD21 LEU 28 -6.340 -2.280 -0.120 208 HD22 LEU 28 HD22 LEU 28 -5.856 -3.093 -1.607 209 HD23 LEU 28 HD23 LEU 28 -4.717 -2.041 -0.767 210 H THR 29 HN THR 29 -2.488 -3.292 3.895 211 HA THR 29 HA THR 29 -3.547 -1.058 5.298 212 HB THR 29 HB THR 29 -1.950 -1.923 7.160 213 HG1 THR 29 HG1 THR 29 -1.943 -4.255 5.538 214 HG21 THR 29 HG21 THR 29 -4.365 -2.335 7.120 215 HG22 THR 29 HG22 THR 29 -3.491 -3.756 7.689 216 HG23 THR 29 HG23 THR 29 -4.116 -3.708 6.041 217 H ALA 30 HN ALA 30 -0.479 -1.818 3.825 218 HA ALA 30 HA ALA 30 1.038 0.351 4.814 219 HB1 ALA 30 HB1 ALA 30 1.943 -1.648 3.654 220 HB2 ALA 30 HB2 ALA 30 2.551 -0.110 3.051 221 HB3 ALA 30 HB3 ALA 30 1.316 -0.990 2.140 222 H ALA 31 HN ALA 31 -1.204 0.009 2.130 223 HA ALA 31 HA ALA 31 -0.861 2.466 0.795 224 HB1 ALA 31 HB1 ALA 31 -3.347 0.827 1.251 225 HB2 ALA 31 HB2 ALA 31 -2.219 0.681 -0.097 226 HB3 ALA 31 HB3 ALA 31 -3.193 2.140 0.087 227 H GLU 32 HN GLU 32 -2.757 1.558 3.637 228 HA GLU 32 HA GLU 32 -4.054 4.057 4.033 229 HB2 GLU 32 HB2 GLU 32 -4.708 1.776 4.967 230 HB3 GLU 32 HB1 GLU 32 -3.417 1.987 6.138 231 HG2 GLU 32 HG2 GLU 32 -5.417 2.611 7.213 232 HG3 GLU 32 HG1 GLU 32 -4.558 4.108 6.849 233 H LYS 33 HN LYS 33 -1.113 2.560 5.282 234 HA LYS 33 HA LYS 33 -0.392 4.512 7.162 235 HB2 LYS 33 HB2 LYS 33 1.223 2.524 5.577 236 HB3 LYS 33 HB1 LYS 33 1.975 3.604 6.733 237 HG2 LYS 33 HG2 LYS 33 0.531 2.648 8.504 238 HG3 LYS 33 HG1 LYS 33 -0.111 1.510 7.315 239 HD2 LYS 33 HD2 LYS 33 2.049 0.518 6.998 240 HD3 LYS 33 HD1 LYS 33 2.823 1.767 7.972 241 HE2 LYS 33 HE2 LYS 33 2.634 -0.244 9.278 242 HE3 LYS 33 HE1 LYS 33 1.540 0.969 9.935 243 HZ1 LYS 33 HZ1 LYS 33 0.801 -1.325 8.206 244 HZ2 LYS 33 HZ2 LYS 33 -0.272 -0.130 8.726 245 HZ3 LYS 33 HZ3 LYS 33 0.460 -1.152 9.851 246 H ALA 34 HN ALA 34 0.565 4.115 3.770 247 HA ALA 34 HA ALA 34 2.223 6.392 3.666 248 HB1 ALA 34 HB1 ALA 34 2.092 6.137 1.236 249 HB2 ALA 34 HB2 ALA 34 0.796 4.956 1.443 250 HB3 ALA 34 HB3 ALA 34 2.413 4.612 2.058 251 H ASP 35 HN ASP 35 -1.215 5.931 3.085 252 HA ASP 35 HA ASP 35 -1.751 8.436 1.929 253 HB2 ASP 35 HB2 ASP 35 -3.402 6.665 1.860 254 HB3 ASP 35 HB1 ASP 35 -3.521 6.659 3.616 255 H GLU 36 HN GLU 36 -1.850 7.374 5.327 256 HA GLU 36 HA GLU 36 -2.549 9.886 6.384 257 HB2 GLU 36 HB2 GLU 36 -2.707 7.638 7.530 258 HB3 GLU 36 HB1 GLU 36 -0.968 7.728 7.776 259 HG2 GLU 36 HG2 GLU 36 -1.277 9.812 9.032 260 HG3 GLU 36 HG1 GLU 36 -3.017 9.647 8.801 261 H LEU 37 HN LEU 37 0.446 8.489 5.343 262 HA LEU 37 HA LEU 37 2.176 10.304 6.699 263 HB2 LEU 37 HB2 LEU 37 2.891 8.086 6.109 264 HB3 LEU 37 HB1 LEU 37 2.580 8.400 4.415 265 HG LEU 37 HG LEU 37 4.382 9.982 4.332 266 HD11 LEU 37 HD11 LEU 37 4.242 10.885 6.575 267 HD12 LEU 37 HD12 LEU 37 5.877 10.305 6.256 268 HD13 LEU 37 HD13 LEU 37 4.779 9.348 7.253 269 HD21 LEU 37 HD21 LEU 37 5.153 7.403 5.649 270 HD22 LEU 37 HD22 LEU 37 6.245 8.443 4.729 271 HD23 LEU 37 HD23 LEU 37 4.883 7.654 3.925 272 H GLY 38 HN GLY 38 0.203 10.499 3.934 273 HA2 GLY 38 HA2 GLY 38 -0.105 12.193 2.410 274 HA3 GLY 38 HA1 GLY 38 1.023 13.156 3.356 Start of MODEL 14 1 H1 SER 1 HN SER 1 2.032 10.070 2.311 2 HA SER 1 HA SER 1 3.981 11.406 0.584 3 HB2 SER 1 HB2 SER 1 4.841 9.862 2.321 4 HB3 SER 1 HB1 SER 1 3.910 8.550 1.601 5 HG SER 1 HG SER 1 6.162 8.650 0.971 6 HA PRO 2 HA PRO 2 1.016 10.136 -2.596 7 HB2 PRO 2 HB2 PRO 2 2.239 11.493 -4.634 8 HB3 PRO 2 HB1 PRO 2 1.112 12.232 -3.493 9 HG2 PRO 2 HG2 PRO 2 4.102 12.263 -3.492 10 HG3 PRO 2 HG1 PRO 2 2.968 13.580 -3.140 11 HD2 PRO 2 HD2 PRO 2 4.233 12.223 -1.194 12 HD3 PRO 2 HD1 PRO 2 2.581 12.839 -0.985 13 H GLU 3 HN GLU 3 4.534 10.073 -3.137 14 HA GLU 3 HA GLU 3 4.408 8.307 -5.349 15 HB2 GLU 3 HB2 GLU 3 6.328 9.774 -4.890 16 HB3 GLU 3 HB1 GLU 3 6.697 8.826 -3.457 17 HG2 GLU 3 HG2 GLU 3 7.064 6.860 -4.873 18 HG3 GLU 3 HG1 GLU 3 6.761 7.852 -6.298 19 H GLU 4 HN GLU 4 5.080 7.782 -1.915 20 HA GLU 4 HA GLU 4 5.483 4.992 -2.212 21 HB2 GLU 4 HB2 GLU 4 4.883 6.643 0.240 22 HB3 GLU 4 HB1 GLU 4 5.336 4.942 0.268 23 HG2 GLU 4 HG2 GLU 4 7.475 5.463 -0.739 24 HG3 GLU 4 HG1 GLU 4 7.023 7.161 -0.866 25 H ARG 5 HN ARG 5 2.702 7.002 -1.560 26 HA ARG 5 HA ARG 5 0.908 5.041 -0.717 27 HB2 ARG 5 HB2 ARG 5 0.594 7.541 -0.682 28 HB3 ARG 5 HB1 ARG 5 0.296 7.466 -2.410 29 HG2 ARG 5 HG2 ARG 5 -1.594 5.889 -1.894 30 HG3 ARG 5 HG1 ARG 5 -1.336 6.304 -0.196 31 HD2 ARG 5 HD2 ARG 5 -1.717 8.659 -0.702 32 HD3 ARG 5 HD1 ARG 5 -1.946 8.269 -2.403 33 HE ARG 5 HE ARG 5 -3.805 7.768 -0.208 34 HH11 ARG 5 HH11 ARG 5 -3.067 7.409 -3.625 35 HH12 ARG 5 HH12 ARG 5 -4.706 7.098 -4.078 36 HH21 ARG 5 HH21 ARG 5 -5.987 7.345 -0.824 37 HH22 ARG 5 HH22 ARG 5 -6.364 7.059 -2.490 38 H ALA 6 HN ALA 6 1.701 6.261 -3.961 39 HA ALA 6 HA ALA 6 -0.154 4.679 -5.369 40 HB1 ALA 6 HB1 ALA 6 0.891 6.671 -6.321 41 HB2 ALA 6 HB2 ALA 6 1.118 5.264 -7.359 42 HB3 ALA 6 HB3 ALA 6 2.446 5.841 -6.353 43 H GLN 7 HN GLN 7 3.262 4.142 -4.581 44 HA GLN 7 HA GLN 7 3.479 1.733 -6.042 45 HB2 GLN 7 HB2 GLN 7 5.144 3.159 -4.065 46 HB3 GLN 7 HB1 GLN 7 5.408 1.425 -4.168 47 HG2 GLN 7 HG2 GLN 7 6.946 2.599 -5.615 48 HG3 GLN 7 HG1 GLN 7 5.825 1.633 -6.572 49 HE21 GLN 7 HE21 GLN 7 6.891 4.805 -5.747 50 HE22 GLN 7 HE22 GLN 7 5.979 5.649 -6.948 51 H LEU 8 HN LEU 8 2.716 2.360 -2.652 52 HA LEU 8 HA LEU 8 2.611 -0.380 -1.942 53 HB2 LEU 8 HB2 LEU 8 1.483 2.074 -0.635 54 HB3 LEU 8 HB1 LEU 8 1.405 0.471 0.078 55 HG LEU 8 HG LEU 8 4.013 1.765 -0.698 56 HD11 LEU 8 HD11 LEU 8 4.273 2.335 1.660 57 HD12 LEU 8 HD12 LEU 8 2.609 1.817 1.954 58 HD13 LEU 8 HD13 LEU 8 2.933 3.194 0.900 59 HD21 LEU 8 HD21 LEU 8 4.007 -0.679 -0.417 60 HD22 LEU 8 HD22 LEU 8 3.347 -0.470 1.209 61 HD23 LEU 8 HD23 LEU 8 4.958 0.133 0.826 62 H LEU 9 HN LEU 9 0.175 1.929 -3.035 63 HA LEU 9 HA LEU 9 -2.055 0.241 -2.640 64 HB2 LEU 9 HB2 LEU 9 -1.540 2.710 -4.187 65 HB3 LEU 9 HB1 LEU 9 -2.989 1.789 -4.532 66 HG LEU 9 HG LEU 9 -2.331 2.606 -1.736 67 HD11 LEU 9 HD11 LEU 9 -3.622 4.580 -2.025 68 HD12 LEU 9 HD12 LEU 9 -3.921 4.185 -3.722 69 HD13 LEU 9 HD13 LEU 9 -2.288 4.579 -3.176 70 HD21 LEU 9 HD21 LEU 9 -4.759 2.427 -1.477 71 HD22 LEU 9 HD22 LEU 9 -4.062 0.915 -2.058 72 HD23 LEU 9 HD23 LEU 9 -4.908 1.983 -3.177 73 H THR 10 HN THR 10 0.097 0.716 -5.404 74 HA THR 10 HA THR 10 -1.421 -0.981 -7.113 75 HB THR 10 HB THR 10 0.696 -1.034 -8.493 76 HG1 THR 10 HG1 THR 10 1.619 1.111 -6.934 77 HG21 THR 10 HG21 THR 10 -1.126 0.559 -8.893 78 HG22 THR 10 HG22 THR 10 0.444 1.288 -9.224 79 HG23 THR 10 HG23 THR 10 -0.408 1.671 -7.729 80 H ALA 11 HN ALA 11 1.205 -1.443 -4.860 81 HA ALA 11 HA ALA 11 1.898 -4.088 -5.509 82 HB1 ALA 11 HB1 ALA 11 3.206 -2.630 -4.025 83 HB2 ALA 11 HB2 ALA 11 2.855 -4.199 -3.304 84 HB3 ALA 11 HB3 ALA 11 1.940 -2.771 -2.805 85 H ALA 12 HN ALA 12 -0.614 -2.713 -3.491 86 HA ALA 12 HA ALA 12 -1.649 -5.029 -2.279 87 HB1 ALA 12 HB1 ALA 12 -2.284 -2.847 -1.552 88 HB2 ALA 12 HB2 ALA 12 -3.727 -3.693 -2.124 89 HB3 ALA 12 HB3 ALA 12 -2.964 -2.469 -3.134 90 H GLU 13 HN GLU 13 -2.430 -3.430 -5.346 91 HA GLU 13 HA GLU 13 -4.479 -5.261 -6.080 92 HB2 GLU 13 HB2 GLU 13 -4.187 -2.873 -6.881 93 HB3 GLU 13 HB1 GLU 13 -2.923 -3.474 -7.946 94 HG2 GLU 13 HG2 GLU 13 -5.102 -3.231 -9.061 95 HG3 GLU 13 HG1 GLU 13 -4.494 -4.886 -9.086 96 H LYS 14 HN LYS 14 -1.054 -4.964 -6.869 97 HA LYS 14 HA LYS 14 -0.980 -6.995 -8.816 98 HB2 LYS 14 HB2 LYS 14 0.810 -5.349 -8.560 99 HB3 LYS 14 HB1 LYS 14 1.208 -6.007 -6.980 100 HG2 LYS 14 HG2 LYS 14 2.785 -6.754 -8.665 101 HG3 LYS 14 HG1 LYS 14 1.869 -8.113 -8.016 102 HD2 LYS 14 HD2 LYS 14 0.411 -8.077 -9.977 103 HD3 LYS 14 HD1 LYS 14 1.299 -6.693 -10.618 104 HE2 LYS 14 HE2 LYS 14 2.464 -9.421 -10.068 105 HE3 LYS 14 HE1 LYS 14 1.989 -8.816 -11.654 106 HZ1 LYS 14 HZ1 LYS 14 4.364 -8.585 -11.282 107 HZ2 LYS 14 HZ2 LYS 14 4.083 -7.633 -9.913 108 HZ3 LYS 14 HZ3 LYS 14 3.634 -7.066 -11.439 109 H ALA 15 HN ALA 15 -0.632 -7.046 -5.314 110 HA ALA 15 HA ALA 15 0.173 -9.720 -5.047 111 HB1 ALA 15 HB1 ALA 15 -1.452 -8.045 -3.136 112 HB2 ALA 15 HB2 ALA 15 0.309 -8.108 -3.218 113 HB3 ALA 15 HB3 ALA 15 -0.604 -9.539 -2.738 114 H ASP 16 HN ASP 16 -3.001 -8.221 -5.332 115 HA ASP 16 HA ASP 16 -4.546 -10.516 -4.761 116 HB2 ASP 16 HB2 ASP 16 -5.501 -8.257 -4.778 117 HB3 ASP 16 HB1 ASP 16 -5.238 -8.157 -6.510 118 H GLU 17 HN GLU 17 -3.295 -9.178 -7.766 119 HA GLU 17 HA GLU 17 -4.445 -10.978 -9.554 120 HB2 GLU 17 HB2 GLU 17 -3.304 -8.889 -10.193 121 HB3 GLU 17 HB1 GLU 17 -1.764 -9.592 -9.721 122 HG2 GLU 17 HG2 GLU 17 -2.087 -11.338 -11.429 123 HG3 GLU 17 HG1 GLU 17 -3.570 -10.513 -11.902 124 H LEU 18 HN LEU 18 -1.580 -11.197 -7.555 125 HA LEU 18 HA LEU 18 -0.773 -13.730 -8.714 126 HB2 LEU 18 HB2 LEU 18 0.854 -11.967 -8.100 127 HB3 LEU 18 HB1 LEU 18 0.394 -12.173 -6.424 128 HG LEU 18 HG LEU 18 1.254 -14.433 -6.426 129 HD11 LEU 18 HD11 LEU 18 0.781 -15.062 -8.722 130 HD12 LEU 18 HD12 LEU 18 2.492 -15.297 -8.373 131 HD13 LEU 18 HD13 LEU 18 1.967 -13.898 -9.309 132 HD21 LEU 18 HD21 LEU 18 3.171 -12.443 -7.592 133 HD22 LEU 18 HD22 LEU 18 3.622 -13.912 -6.723 134 HD23 LEU 18 HD23 LEU 18 2.761 -12.617 -5.887 135 H GLY 19 HN GLY 19 -3.075 -12.811 -6.620 136 HA2 GLY 19 HA2 GLY 19 -4.401 -14.289 -5.351 137 HA3 GLY 19 HA1 GLY 19 -3.009 -15.356 -5.183 138 H CYS 20 HN CYS 20 -1.538 -15.031 -3.634 139 HA CYS 20 HA CYS 20 -1.059 -14.605 -1.394 140 HB2 CYS 20 HB2 CYS 20 -0.489 -11.966 -2.728 141 HB3 CYS 20 HB1 CYS 20 0.320 -12.652 -1.324 142 HG CYS 20 HG CYS 20 2.228 -13.526 -2.753 143 HA PRO 21 HA PRO 21 -5.010 -12.310 -0.310 144 HB2 PRO 21 HB2 PRO 21 -5.615 -14.017 1.771 145 HB3 PRO 21 HB1 PRO 21 -6.209 -14.203 0.118 146 HG2 PRO 21 HG2 PRO 21 -3.911 -15.560 1.471 147 HG3 PRO 21 HG1 PRO 21 -5.117 -16.235 0.360 148 HD2 PRO 21 HD2 PRO 21 -2.641 -15.627 -0.459 149 HD3 PRO 21 HD1 PRO 21 -4.050 -15.387 -1.512 150 H GLU 22 HN GLU 22 -2.598 -13.742 1.864 151 HA GLU 22 HA GLU 22 -3.127 -11.935 4.001 152 HB2 GLU 22 HB2 GLU 22 -2.156 -14.185 4.310 153 HB3 GLU 22 HB1 GLU 22 -0.694 -13.643 3.502 154 HG2 GLU 22 HG2 GLU 22 -0.374 -11.968 5.263 155 HG3 GLU 22 HG1 GLU 22 -1.796 -12.599 6.091 156 H GLU 23 HN GLU 23 -0.632 -12.120 1.500 157 HA GLU 23 HA GLU 23 0.883 -9.934 2.437 158 HB2 GLU 23 HB2 GLU 23 0.713 -11.179 -0.297 159 HB3 GLU 23 HB1 GLU 23 1.901 -9.972 0.163 160 HG2 GLU 23 HG2 GLU 23 2.936 -11.411 1.702 161 HG3 GLU 23 HG1 GLU 23 1.597 -12.554 1.653 162 H ARG 24 HN ARG 24 -1.833 -10.184 0.216 163 HA ARG 24 HA ARG 24 -1.753 -7.587 -0.817 164 HB2 ARG 24 HB2 ARG 24 -3.222 -9.370 -1.698 165 HB3 ARG 24 HB1 ARG 24 -4.198 -9.268 -0.236 166 HG2 ARG 24 HG2 ARG 24 -4.647 -6.882 -0.790 167 HG3 ARG 24 HG1 ARG 24 -3.817 -7.145 -2.322 168 HD2 ARG 24 HD2 ARG 24 -5.445 -8.907 -2.870 169 HD3 ARG 24 HD1 ARG 24 -6.288 -8.574 -1.357 170 HE ARG 24 HE ARG 24 -5.962 -6.264 -3.047 171 HH11 ARG 24 HH11 ARG 24 -7.996 -9.010 -2.319 172 HH12 ARG 24 HH12 ARG 24 -9.424 -8.306 -2.985 173 HH21 ARG 24 HH21 ARG 24 -7.850 -5.311 -3.933 174 HH22 ARG 24 HH22 ARG 24 -9.338 -6.187 -3.920 175 H ALA 25 HN ALA 25 -3.275 -8.898 2.090 176 HA ALA 25 HA ALA 25 -4.602 -6.581 2.921 177 HB1 ALA 25 HB1 ALA 25 -4.666 -7.616 5.133 178 HB2 ALA 25 HB2 ALA 25 -3.441 -8.782 4.631 179 HB3 ALA 25 HB3 ALA 25 -5.034 -8.797 3.876 180 H GLN 26 HN GLN 26 -1.339 -7.762 3.606 181 HA GLN 26 HA GLN 26 -0.566 -5.740 5.384 182 HB2 GLN 26 HB2 GLN 26 0.620 -7.888 5.028 183 HB3 GLN 26 HB1 GLN 26 1.144 -7.312 3.453 184 HG2 GLN 26 HG2 GLN 26 2.333 -5.463 4.575 185 HG3 GLN 26 HG1 GLN 26 1.866 -6.168 6.123 186 HE21 GLN 26 HE21 GLN 26 3.996 -6.511 6.725 187 HE22 GLN 26 HE22 GLN 26 4.966 -7.752 6.018 188 H LEU 27 HN LEU 27 -0.324 -6.009 1.867 189 HA LEU 27 HA LEU 27 1.098 -3.603 1.479 190 HB2 LEU 27 HB2 LEU 27 -0.555 -5.298 -0.345 191 HB3 LEU 27 HB1 LEU 27 0.312 -3.871 -0.887 192 HG LEU 27 HG LEU 27 1.714 -6.121 0.521 193 HD11 LEU 27 HD11 LEU 27 1.255 -5.781 -2.418 194 HD12 LEU 27 HD12 LEU 27 0.602 -7.061 -1.393 195 HD13 LEU 27 HD13 LEU 27 2.342 -6.955 -1.677 196 HD21 LEU 27 HD21 LEU 27 2.868 -3.959 0.366 197 HD22 LEU 27 HD22 LEU 27 2.668 -4.000 -1.390 198 HD23 LEU 27 HD23 LEU 27 3.668 -5.209 -0.589 199 H LEU 28 HN LEU 28 -2.331 -4.424 1.463 200 HA LEU 28 HA LEU 28 -3.294 -1.892 0.693 201 HB2 LEU 28 HB2 LEU 28 -4.502 -4.179 2.193 202 HB3 LEU 28 HB1 LEU 28 -5.371 -2.685 1.933 203 HG LEU 28 HG LEU 28 -4.234 -4.252 -0.349 204 HD11 LEU 28 HD11 LEU 28 -5.730 -5.678 0.906 205 HD12 LEU 28 HD12 LEU 28 -6.433 -5.205 -0.642 206 HD13 LEU 28 HD13 LEU 28 -6.974 -4.429 0.851 207 HD21 LEU 28 HD21 LEU 28 -5.929 -3.013 -1.612 208 HD22 LEU 28 HD22 LEU 28 -4.813 -1.921 -0.794 209 HD23 LEU 28 HD23 LEU 28 -6.426 -2.190 -0.135 210 H THR 29 HN THR 29 -2.319 -3.254 3.754 211 HA THR 29 HA THR 29 -3.275 -1.183 5.439 212 HB THR 29 HB THR 29 -0.931 -3.064 5.853 213 HG1 THR 29 HG1 THR 29 -3.025 -4.071 5.472 214 HG21 THR 29 HG21 THR 29 -0.919 -1.161 7.405 215 HG22 THR 29 HG22 THR 29 -1.297 -2.668 8.239 216 HG23 THR 29 HG23 THR 29 -2.583 -1.524 7.860 217 H ALA 30 HN ALA 30 -0.245 -1.783 3.749 218 HA ALA 30 HA ALA 30 1.232 0.420 4.690 219 HB1 ALA 30 HB1 ALA 30 2.135 -1.573 3.525 220 HB2 ALA 30 HB2 ALA 30 2.719 -0.029 2.914 221 HB3 ALA 30 HB3 ALA 30 1.483 -0.921 2.020 222 H ALA 31 HN ALA 31 -1.031 0.019 2.057 223 HA ALA 31 HA ALA 31 -0.672 2.406 0.627 224 HB1 ALA 31 HB1 ALA 31 -3.096 0.706 1.114 225 HB2 ALA 31 HB2 ALA 31 -1.988 0.638 -0.259 226 HB3 ALA 31 HB3 ALA 31 -3.041 2.037 -0.034 227 H GLU 32 HN GLU 32 -2.749 1.673 3.420 228 HA GLU 32 HA GLU 32 -3.866 4.293 3.543 229 HB2 GLU 32 HB2 GLU 32 -3.789 2.142 5.666 230 HB3 GLU 32 HB1 GLU 32 -4.787 3.589 5.711 231 HG2 GLU 32 HG2 GLU 32 -4.991 1.276 3.803 232 HG3 GLU 32 HG1 GLU 32 -6.156 1.771 5.030 233 H LYS 33 HN LYS 33 -1.206 2.660 5.169 234 HA LYS 33 HA LYS 33 -0.690 4.652 7.087 235 HB2 LYS 33 HB2 LYS 33 0.197 2.345 7.197 236 HB3 LYS 33 HB1 LYS 33 1.271 2.710 5.856 237 HG2 LYS 33 HG2 LYS 33 2.477 4.310 7.169 238 HG3 LYS 33 HG1 LYS 33 1.315 4.170 8.488 239 HD2 LYS 33 HD2 LYS 33 3.059 1.919 7.484 240 HD3 LYS 33 HD1 LYS 33 3.420 2.917 8.893 241 HE2 LYS 33 HE2 LYS 33 1.324 2.169 9.941 242 HE3 LYS 33 HE1 LYS 33 0.992 1.156 8.540 243 HZ1 LYS 33 HZ1 LYS 33 1.951 -0.109 10.354 244 HZ2 LYS 33 HZ2 LYS 33 3.324 0.872 10.353 245 HZ3 LYS 33 HZ3 LYS 33 2.984 -0.107 9.018 246 H ALA 34 HN ALA 34 0.686 4.121 3.850 247 HA ALA 34 HA ALA 34 2.419 6.354 3.896 248 HB1 ALA 34 HB1 ALA 34 2.488 6.108 1.453 249 HB2 ALA 34 HB2 ALA 34 1.141 4.970 1.540 250 HB3 ALA 34 HB3 ALA 34 2.689 4.566 2.282 251 H ASP 35 HN ASP 35 -0.937 5.936 3.037 252 HA ASP 35 HA ASP 35 -1.398 8.449 1.865 253 HB2 ASP 35 HB2 ASP 35 -2.980 6.612 1.642 254 HB3 ASP 35 HB1 ASP 35 -3.276 6.624 3.376 255 H GLU 36 HN GLU 36 -1.675 7.306 5.211 256 HA GLU 36 HA GLU 36 -2.569 9.736 6.336 257 HB2 GLU 36 HB2 GLU 36 -1.078 7.407 7.541 258 HB3 GLU 36 HB1 GLU 36 -1.671 8.764 8.487 259 HG2 GLU 36 HG2 GLU 36 -3.385 6.944 6.817 260 HG3 GLU 36 HG1 GLU 36 -3.155 6.810 8.560 261 H LEU 37 HN LEU 37 0.597 8.542 5.511 262 HA LEU 37 HA LEU 37 2.058 10.565 6.918 263 HB2 LEU 37 HB2 LEU 37 2.860 8.730 4.688 264 HB3 LEU 37 HB1 LEU 37 3.955 9.781 5.560 265 HG LEU 37 HG LEU 37 2.405 7.483 6.734 266 HD11 LEU 37 HD11 LEU 37 5.317 7.856 6.152 267 HD12 LEU 37 HD12 LEU 37 4.202 6.834 5.248 268 HD13 LEU 37 HD13 LEU 37 4.589 6.450 6.932 269 HD21 LEU 37 HD21 LEU 37 2.700 9.250 8.377 270 HD22 LEU 37 HD22 LEU 37 4.414 9.363 7.979 271 HD23 LEU 37 HD23 LEU 37 3.780 7.903 8.738 272 H GLY 38 HN GLY 38 0.251 10.517 4.071 273 HA2 GLY 38 HA2 GLY 38 -0.099 12.118 2.466 274 HA3 GLY 38 HA1 GLY 38 0.932 13.191 3.402 Start of MODEL 15 1 H1 SER 1 HN SER 1 1.514 9.954 2.104 2 HA SER 1 HA SER 1 3.487 11.464 0.526 3 HB2 SER 1 HB2 SER 1 4.448 10.064 2.342 4 HB3 SER 1 HB1 SER 1 3.708 8.642 1.612 5 HG SER 1 HG SER 1 5.935 8.963 1.061 6 HA PRO 2 HA PRO 2 0.596 9.766 -2.607 7 HB2 PRO 2 HB2 PRO 2 2.235 11.586 -4.288 8 HB3 PRO 2 HB1 PRO 2 0.477 11.446 -4.162 9 HG2 PRO 2 HG2 PRO 2 1.738 13.502 -3.057 10 HG3 PRO 2 HG1 PRO 2 0.384 12.717 -2.221 11 HD2 PRO 2 HD2 PRO 2 3.325 12.441 -1.736 12 HD3 PRO 2 HD1 PRO 2 1.996 12.567 -0.564 13 H GLU 3 HN GLU 3 4.090 10.293 -3.178 14 HA GLU 3 HA GLU 3 4.237 8.492 -5.350 15 HB2 GLU 3 HB2 GLU 3 6.449 9.387 -3.504 16 HB3 GLU 3 HB1 GLU 3 6.670 8.591 -5.056 17 HG2 GLU 3 HG2 GLU 3 5.437 10.513 -6.096 18 HG3 GLU 3 HG1 GLU 3 5.543 11.322 -4.535 19 H GLU 4 HN GLU 4 4.879 8.062 -1.903 20 HA GLU 4 HA GLU 4 5.634 5.330 -2.220 21 HB2 GLU 4 HB2 GLU 4 4.774 6.831 0.253 22 HB3 GLU 4 HB1 GLU 4 5.481 5.221 0.238 23 HG2 GLU 4 HG2 GLU 4 7.515 6.158 -0.791 24 HG3 GLU 4 HG1 GLU 4 6.805 7.766 -0.668 25 H ARG 5 HN ARG 5 2.643 7.045 -1.534 26 HA ARG 5 HA ARG 5 1.060 4.862 -0.831 27 HB2 ARG 5 HB2 ARG 5 0.376 7.210 -0.533 28 HB3 ARG 5 HB1 ARG 5 0.279 7.399 -2.278 29 HG2 ARG 5 HG2 ARG 5 -1.514 5.761 -2.369 30 HG3 ARG 5 HG1 ARG 5 -1.366 5.532 -0.625 31 HD2 ARG 5 HD2 ARG 5 -3.247 7.017 -1.206 32 HD3 ARG 5 HD1 ARG 5 -2.027 7.832 -0.232 33 HE ARG 5 HE ARG 5 -1.494 8.264 -2.968 34 HH11 ARG 5 HH11 ARG 5 -3.841 9.195 -0.504 35 HH12 ARG 5 HH12 ARG 5 -4.166 10.730 -1.235 36 HH21 ARG 5 HH21 ARG 5 -1.951 10.294 -3.924 37 HH22 ARG 5 HH22 ARG 5 -3.098 11.360 -3.178 38 H ALA 6 HN ALA 6 1.770 6.341 -3.961 39 HA ALA 6 HA ALA 6 0.086 4.730 -5.504 40 HB1 ALA 6 HB1 ALA 6 2.687 6.012 -6.322 41 HB2 ALA 6 HB2 ALA 6 1.114 6.807 -6.303 42 HB3 ALA 6 HB3 ALA 6 1.406 5.460 -7.402 43 H GLN 7 HN GLN 7 3.476 4.281 -4.541 44 HA GLN 7 HA GLN 7 3.887 1.939 -6.078 45 HB2 GLN 7 HB2 GLN 7 5.734 3.332 -5.259 46 HB3 GLN 7 HB1 GLN 7 5.323 2.914 -3.602 47 HG2 GLN 7 HG2 GLN 7 7.208 1.613 -4.298 48 HG3 GLN 7 HG1 GLN 7 5.804 0.561 -4.114 49 HE21 GLN 7 HE21 GLN 7 6.604 -1.006 -5.471 50 HE22 GLN 7 HE22 GLN 7 6.714 -0.794 -7.182 51 H LEU 8 HN LEU 8 3.029 2.484 -2.693 52 HA LEU 8 HA LEU 8 2.982 -0.263 -2.011 53 HB2 LEU 8 HB2 LEU 8 1.878 2.179 -0.672 54 HB3 LEU 8 HB1 LEU 8 1.765 0.572 0.026 55 HG LEU 8 HG LEU 8 4.388 1.849 -0.729 56 HD11 LEU 8 HD11 LEU 8 3.394 3.230 0.935 57 HD12 LEU 8 HD12 LEU 8 4.659 2.257 1.688 58 HD13 LEU 8 HD13 LEU 8 2.961 1.829 1.909 59 HD21 LEU 8 HD21 LEU 8 3.667 -0.509 0.997 60 HD22 LEU 8 HD22 LEU 8 5.291 0.141 0.791 61 HD23 LEU 8 HD23 LEU 8 4.446 -0.569 -0.585 62 H LEU 9 HN LEU 9 0.508 1.995 -3.126 63 HA LEU 9 HA LEU 9 -1.683 0.321 -2.623 64 HB2 LEU 9 HB2 LEU 9 -1.783 2.755 -2.935 65 HB3 LEU 9 HB1 LEU 9 -1.381 2.527 -4.628 66 HG LEU 9 HG LEU 9 -3.369 1.048 -4.726 67 HD11 LEU 9 HD11 LEU 9 -3.780 0.730 -2.378 68 HD12 LEU 9 HD12 LEU 9 -5.173 1.521 -3.117 69 HD13 LEU 9 HD13 LEU 9 -4.028 2.463 -2.162 70 HD21 LEU 9 HD21 LEU 9 -3.712 3.985 -4.254 71 HD22 LEU 9 HD22 LEU 9 -4.891 2.951 -5.063 72 HD23 LEU 9 HD23 LEU 9 -3.297 3.203 -5.778 73 H THR 10 HN THR 10 0.390 0.840 -5.466 74 HA THR 10 HA THR 10 -1.081 -0.915 -7.136 75 HB THR 10 HB THR 10 1.121 -0.995 -8.468 76 HG1 THR 10 HG1 THR 10 1.849 1.223 -6.881 77 HG21 THR 10 HG21 THR 10 0.799 1.269 -9.324 78 HG22 THR 10 HG22 THR 10 -0.129 1.692 -7.885 79 HG23 THR 10 HG23 THR 10 -0.756 0.496 -9.019 80 H ALA 11 HN ALA 11 1.537 -1.335 -4.856 81 HA ALA 11 HA ALA 11 2.179 -4.019 -5.408 82 HB1 ALA 11 HB1 ALA 11 3.501 -2.500 -3.962 83 HB2 ALA 11 HB2 ALA 11 3.168 -4.066 -3.229 84 HB3 ALA 11 HB3 ALA 11 2.247 -2.644 -2.730 85 H ALA 12 HN ALA 12 -0.323 -2.527 -3.443 86 HA ALA 12 HA ALA 12 -1.409 -4.813 -2.199 87 HB1 ALA 12 HB1 ALA 12 -3.453 -3.465 -2.019 88 HB2 ALA 12 HB2 ALA 12 -2.754 -2.276 -3.118 89 HB3 ALA 12 HB3 ALA 12 -2.015 -2.562 -1.543 90 H GLU 13 HN GLU 13 -2.027 -3.288 -5.338 91 HA GLU 13 HA GLU 13 -4.049 -5.117 -6.124 92 HB2 GLU 13 HB2 GLU 13 -2.303 -3.292 -7.772 93 HB3 GLU 13 HB1 GLU 13 -3.636 -4.233 -8.420 94 HG2 GLU 13 HG2 GLU 13 -5.086 -3.023 -6.705 95 HG3 GLU 13 HG1 GLU 13 -3.724 -1.915 -6.531 96 H LYS 14 HN LYS 14 -0.556 -5.056 -6.452 97 HA LYS 14 HA LYS 14 -0.313 -7.111 -8.375 98 HB2 LYS 14 HB2 LYS 14 1.548 -6.085 -6.244 99 HB3 LYS 14 HB1 LYS 14 2.005 -7.391 -7.324 100 HG2 LYS 14 HG2 LYS 14 1.714 -5.932 -9.241 101 HG3 LYS 14 HG1 LYS 14 1.194 -4.624 -8.179 102 HD2 LYS 14 HD2 LYS 14 3.340 -4.462 -7.184 103 HD3 LYS 14 HD1 LYS 14 3.867 -5.978 -7.917 104 HE2 LYS 14 HE2 LYS 14 4.824 -4.045 -9.064 105 HE3 LYS 14 HE1 LYS 14 3.760 -4.973 -10.119 106 HZ1 LYS 14 HZ1 LYS 14 3.406 -2.606 -10.363 107 HZ2 LYS 14 HZ2 LYS 14 3.050 -2.454 -8.723 108 HZ3 LYS 14 HZ3 LYS 14 2.022 -3.340 -9.734 109 H ALA 15 HN ALA 15 -0.292 -7.228 -4.826 110 HA ALA 15 HA ALA 15 -0.002 -10.046 -4.668 111 HB1 ALA 15 HB1 ALA 15 0.469 -8.625 -2.763 112 HB2 ALA 15 HB2 ALA 15 -0.798 -9.781 -2.348 113 HB3 ALA 15 HB3 ALA 15 -1.213 -8.103 -2.704 114 H ASP 16 HN ASP 16 -2.741 -7.893 -4.957 115 HA ASP 16 HA ASP 16 -4.810 -9.779 -4.580 116 HB2 ASP 16 HB2 ASP 16 -5.149 -7.321 -4.597 117 HB3 ASP 16 HB1 ASP 16 -4.790 -7.299 -6.318 118 H GLU 17 HN GLU 17 -3.061 -8.661 -7.409 119 HA GLU 17 HA GLU 17 -4.352 -10.175 -9.381 120 HB2 GLU 17 HB2 GLU 17 -1.567 -9.055 -9.158 121 HB3 GLU 17 HB1 GLU 17 -2.117 -9.875 -10.602 122 HG2 GLU 17 HG2 GLU 17 -3.363 -7.413 -9.407 123 HG3 GLU 17 HG1 GLU 17 -2.262 -7.443 -10.782 124 H LEU 18 HN LEU 18 -1.766 -10.957 -7.150 125 HA LEU 18 HA LEU 18 -1.159 -13.478 -8.399 126 HB2 LEU 18 HB2 LEU 18 -0.318 -12.316 -5.758 127 HB3 LEU 18 HB1 LEU 18 0.306 -13.802 -6.437 128 HG LEU 18 HG LEU 18 0.679 -11.014 -7.519 129 HD11 LEU 18 HD11 LEU 18 2.598 -13.045 -6.426 130 HD12 LEU 18 HD12 LEU 18 2.067 -11.568 -5.620 131 HD13 LEU 18 HD13 LEU 18 3.035 -11.472 -7.094 132 HD21 LEU 18 HD21 LEU 18 0.384 -12.542 -9.387 133 HD22 LEU 18 HD22 LEU 18 1.569 -13.649 -8.694 134 HD23 LEU 18 HD23 LEU 18 2.074 -12.056 -9.255 135 H GLY 19 HN GLY 19 -3.460 -12.331 -6.188 136 HA2 GLY 19 HA2 GLY 19 -5.230 -13.446 -5.223 137 HA3 GLY 19 HA1 GLY 19 -4.603 -14.942 -5.900 138 H CYS 20 HN CYS 20 -2.739 -12.803 -3.825 139 HA CYS 20 HA CYS 20 -2.856 -14.892 -1.760 140 HB2 CYS 20 HB2 CYS 20 -0.603 -13.918 -1.037 141 HB3 CYS 20 HB1 CYS 20 -0.635 -14.869 -2.518 142 HG CYS 20 HG CYS 20 0.831 -13.078 -3.634 143 HA PRO 21 HA PRO 21 -5.149 -11.519 0.228 144 HB2 PRO 21 HB2 PRO 21 -5.531 -13.663 2.239 145 HB3 PRO 21 HB1 PRO 21 -6.731 -12.648 1.434 146 HG2 PRO 21 HG2 PRO 21 -6.449 -15.209 0.766 147 HG3 PRO 21 HG1 PRO 21 -6.776 -13.975 -0.464 148 HD2 PRO 21 HD2 PRO 21 -4.197 -15.324 0.228 149 HD3 PRO 21 HD1 PRO 21 -4.860 -14.905 -1.366 150 H GLU 22 HN GLU 22 -2.844 -13.704 1.822 151 HA GLU 22 HA GLU 22 -2.581 -12.249 4.222 152 HB2 GLU 22 HB2 GLU 22 -1.807 -14.579 3.873 153 HB3 GLU 22 HB1 GLU 22 -0.503 -13.966 2.865 154 HG2 GLU 22 HG2 GLU 22 0.180 -12.591 4.894 155 HG3 GLU 22 HG1 GLU 22 -0.905 -13.637 5.810 156 H GLU 23 HN GLU 23 -0.672 -12.169 1.233 157 HA GLU 23 HA GLU 23 1.029 -10.090 2.207 158 HB2 GLU 23 HB2 GLU 23 0.696 -11.359 -0.502 159 HB3 GLU 23 HB1 GLU 23 1.811 -10.029 -0.210 160 HG2 GLU 23 HG2 GLU 23 3.014 -11.350 1.421 161 HG3 GLU 23 HG1 GLU 23 1.863 -12.670 1.232 162 H ARG 24 HN ARG 24 -1.834 -10.277 0.202 163 HA ARG 24 HA ARG 24 -1.840 -7.654 -0.760 164 HB2 ARG 24 HB2 ARG 24 -3.333 -9.414 -1.608 165 HB3 ARG 24 HB1 ARG 24 -4.198 -9.418 -0.078 166 HG2 ARG 24 HG2 ARG 24 -4.908 -7.120 -0.465 167 HG3 ARG 24 HG1 ARG 24 -4.022 -7.107 -1.991 168 HD2 ARG 24 HD2 ARG 24 -6.425 -7.508 -2.312 169 HD3 ARG 24 HD1 ARG 24 -5.442 -8.860 -2.866 170 HE ARG 24 HE ARG 24 -6.316 -9.197 -0.171 171 HH11 ARG 24 HH11 ARG 24 -7.413 -9.441 -3.511 172 HH12 ARG 24 HH12 ARG 24 -8.539 -10.710 -3.169 173 HH21 ARG 24 HH21 ARG 24 -7.842 -10.860 0.271 174 HH22 ARG 24 HH22 ARG 24 -8.801 -11.502 -1.015 175 H ALA 25 HN ALA 25 -3.154 -9.045 2.221 176 HA ALA 25 HA ALA 25 -4.368 -6.730 3.217 177 HB1 ALA 25 HB1 ALA 25 -4.746 -8.962 4.160 178 HB2 ALA 25 HB2 ALA 25 -4.255 -7.812 5.402 179 HB3 ALA 25 HB3 ALA 25 -3.094 -8.982 4.775 180 H GLN 26 HN GLN 26 -1.059 -7.940 3.553 181 HA GLN 26 HA GLN 26 -0.149 -5.956 5.348 182 HB2 GLN 26 HB2 GLN 26 1.323 -7.645 3.334 183 HB3 GLN 26 HB1 GLN 26 2.121 -6.611 4.504 184 HG2 GLN 26 HG2 GLN 26 1.134 -7.902 6.316 185 HG3 GLN 26 HG1 GLN 26 0.332 -8.939 5.136 186 HE21 GLN 26 HE21 GLN 26 2.354 -9.512 7.209 187 HE22 GLN 26 HE22 GLN 26 3.652 -10.290 6.368 188 H LEU 27 HN LEU 27 -0.109 -6.188 1.830 189 HA LEU 27 HA LEU 27 1.339 -3.788 1.441 190 HB2 LEU 27 HB2 LEU 27 -0.283 -5.514 -0.378 191 HB3 LEU 27 HB1 LEU 27 0.543 -4.065 -0.930 192 HG LEU 27 HG LEU 27 1.996 -6.290 0.479 193 HD11 LEU 27 HD11 LEU 27 1.605 -5.896 -2.463 194 HD12 LEU 27 HD12 LEU 27 0.938 -7.202 -1.481 195 HD13 LEU 27 HD13 LEU 27 2.685 -7.071 -1.709 196 HD21 LEU 27 HD21 LEU 27 2.896 -4.059 -1.332 197 HD22 LEU 27 HD22 LEU 27 3.936 -5.293 -0.624 198 HD23 LEU 27 HD23 LEU 27 3.118 -4.128 0.418 199 H LEU 28 HN LEU 28 -2.087 -4.582 1.521 200 HA LEU 28 HA LEU 28 -3.027 -2.053 0.706 201 HB2 LEU 28 HB2 LEU 28 -4.231 -4.299 2.260 202 HB3 LEU 28 HB1 LEU 28 -5.083 -2.782 2.059 203 HG LEU 28 HG LEU 28 -4.067 -4.338 -0.293 204 HD11 LEU 28 HD11 LEU 28 -5.542 -5.752 1.021 205 HD12 LEU 28 HD12 LEU 28 -6.265 -5.274 -0.516 206 HD13 LEU 28 HD13 LEU 28 -6.775 -4.491 0.985 207 HD21 LEU 28 HD21 LEU 28 -5.790 -3.056 -1.468 208 HD22 LEU 28 HD22 LEU 28 -4.621 -1.995 -0.684 209 HD23 LEU 28 HD23 LEU 28 -6.210 -2.241 0.038 210 H THR 29 HN THR 29 -2.054 -3.366 3.808 211 HA THR 29 HA THR 29 -2.898 -1.210 5.427 212 HB THR 29 HB THR 29 -0.485 -2.997 5.882 213 HG1 THR 29 HG1 THR 29 -2.253 -4.342 5.612 214 HG21 THR 29 HG21 THR 29 -0.926 -2.562 8.257 215 HG22 THR 29 HG22 THR 29 -2.275 -1.514 7.821 216 HG23 THR 29 HG23 THR 29 -0.627 -1.056 7.389 217 H ALA 30 HN ALA 30 -0.016 -1.844 3.537 218 HA ALA 30 HA ALA 30 1.474 0.425 4.367 219 HB1 ALA 30 HB1 ALA 30 1.749 -1.044 1.767 220 HB2 ALA 30 HB2 ALA 30 2.367 -1.657 3.301 221 HB3 ALA 30 HB3 ALA 30 2.975 -0.133 2.657 222 H ALA 31 HN ALA 31 -0.763 -0.215 1.717 223 HA ALA 31 HA ALA 31 -0.521 2.171 0.256 224 HB1 ALA 31 HB1 ALA 31 -2.984 0.500 0.725 225 HB2 ALA 31 HB2 ALA 31 -1.756 0.198 -0.502 226 HB3 ALA 31 HB3 ALA 31 -2.740 1.660 -0.579 227 H GLU 32 HN GLU 32 -2.559 1.302 3.010 228 HA GLU 32 HA GLU 32 -3.923 3.782 3.212 229 HB2 GLU 32 HB2 GLU 32 -3.523 1.513 5.150 230 HB3 GLU 32 HB1 GLU 32 -4.522 2.913 5.498 231 HG2 GLU 32 HG2 GLU 32 -4.953 1.060 3.172 232 HG3 GLU 32 HG1 GLU 32 -5.778 0.925 4.725 233 H LYS 33 HN LYS 33 -1.067 2.435 4.802 234 HA LYS 33 HA LYS 33 -0.788 4.466 6.737 235 HB2 LYS 33 HB2 LYS 33 0.321 2.245 6.855 236 HB3 LYS 33 HB1 LYS 33 1.396 2.747 5.558 237 HG2 LYS 33 HG2 LYS 33 2.242 4.559 6.972 238 HG3 LYS 33 HG1 LYS 33 1.180 4.024 8.275 239 HD2 LYS 33 HD2 LYS 33 2.320 1.850 8.289 240 HD3 LYS 33 HD1 LYS 33 3.398 2.418 7.011 241 HE2 LYS 33 HE2 LYS 33 3.140 3.583 9.782 242 HE3 LYS 33 HE1 LYS 33 4.469 2.592 9.186 243 HZ1 LYS 33 HZ1 LYS 33 5.088 4.892 9.123 244 HZ2 LYS 33 HZ2 LYS 33 3.721 5.299 8.226 245 HZ3 LYS 33 HZ3 LYS 33 4.926 4.341 7.536 246 H ALA 34 HN ALA 34 0.609 4.073 3.510 247 HA ALA 34 HA ALA 34 2.233 6.373 3.572 248 HB1 ALA 34 HB1 ALA 34 2.254 6.179 1.126 249 HB2 ALA 34 HB2 ALA 34 0.956 4.985 1.225 250 HB3 ALA 34 HB3 ALA 34 2.536 4.633 1.924 251 H ASP 35 HN ASP 35 -1.133 5.848 2.760 252 HA ASP 35 HA ASP 35 -1.662 8.433 1.732 253 HB2 ASP 35 HB2 ASP 35 -3.189 6.589 1.296 254 HB3 ASP 35 HB1 ASP 35 -3.507 6.411 3.020 255 H GLU 36 HN GLU 36 -1.941 6.999 4.951 256 HA GLU 36 HA GLU 36 -2.990 9.250 6.280 257 HB2 GLU 36 HB2 GLU 36 -1.446 6.837 7.159 258 HB3 GLU 36 HB1 GLU 36 -1.784 8.127 8.300 259 HG2 GLU 36 HG2 GLU 36 -3.870 6.633 6.737 260 HG3 GLU 36 HG1 GLU 36 -3.397 6.272 8.398 261 H LEU 37 HN LEU 37 0.311 8.295 5.502 262 HA LEU 37 HA LEU 37 1.548 10.341 7.045 263 HB2 LEU 37 HB2 LEU 37 2.455 8.066 6.306 264 HB3 LEU 37 HB1 LEU 37 2.701 8.790 4.737 265 HG LEU 37 HG LEU 37 4.647 8.575 6.388 266 HD11 LEU 37 HD11 LEU 37 5.684 10.657 5.535 267 HD12 LEU 37 HD12 LEU 37 4.104 11.149 4.922 268 HD13 LEU 37 HD13 LEU 37 4.888 9.704 4.284 269 HD21 LEU 37 HD21 LEU 37 3.397 11.109 7.431 270 HD22 LEU 37 HD22 LEU 37 4.985 10.484 7.867 271 HD23 LEU 37 HD23 LEU 37 3.533 9.585 8.305 272 H GLY 38 HN GLY 38 -0.053 10.244 4.061 273 HA2 GLY 38 HA2 GLY 38 -0.470 11.903 2.532 274 HA3 GLY 38 HA1 GLY 38 0.479 13.000 3.529 Start of MODEL 16 1 H1 SER 1 HN SER 1 2.682 9.977 2.523 2 HA SER 1 HA SER 1 4.818 11.073 0.854 3 HB2 SER 1 HB2 SER 1 4.281 8.244 1.781 4 HB3 SER 1 HB1 SER 1 5.720 8.785 0.924 5 HG SER 1 HG SER 1 6.304 8.844 2.992 6 HA PRO 2 HA PRO 2 1.815 10.208 -2.503 7 HB2 PRO 2 HB2 PRO 2 3.846 11.630 -4.105 8 HB3 PRO 2 HB1 PRO 2 2.123 11.972 -3.919 9 HG2 PRO 2 HG2 PRO 2 3.975 13.540 -2.792 10 HG3 PRO 2 HG1 PRO 2 2.439 13.191 -1.977 11 HD2 PRO 2 HD2 PRO 2 5.149 12.008 -1.501 12 HD3 PRO 2 HD1 PRO 2 3.920 12.522 -0.325 13 H GLU 3 HN GLU 3 5.359 9.982 -2.929 14 HA GLU 3 HA GLU 3 5.188 8.171 -5.106 15 HB2 GLU 3 HB2 GLU 3 7.493 8.801 -3.261 16 HB3 GLU 3 HB1 GLU 3 7.617 7.778 -4.682 17 HG2 GLU 3 HG2 GLU 3 6.891 10.694 -4.630 18 HG3 GLU 3 HG1 GLU 3 8.408 9.987 -5.187 19 H GLU 4 HN GLU 4 5.729 7.737 -1.644 20 HA GLU 4 HA GLU 4 6.099 4.940 -1.792 21 HB2 GLU 4 HB2 GLU 4 5.165 6.669 0.495 22 HB3 GLU 4 HB1 GLU 4 5.539 4.959 0.645 23 HG2 GLU 4 HG2 GLU 4 7.843 5.477 -0.160 24 HG3 GLU 4 HG1 GLU 4 7.425 7.187 -0.060 25 H ARG 5 HN ARG 5 3.236 6.966 -1.344 26 HA ARG 5 HA ARG 5 1.414 4.925 -0.823 27 HB2 ARG 5 HB2 ARG 5 0.972 7.338 -0.509 28 HB3 ARG 5 HB1 ARG 5 0.943 7.539 -2.256 29 HG2 ARG 5 HG2 ARG 5 -0.964 5.979 -2.366 30 HG3 ARG 5 HG1 ARG 5 -0.931 5.900 -0.602 31 HD2 ARG 5 HD2 ARG 5 -2.626 7.487 -1.426 32 HD3 ARG 5 HD1 ARG 5 -1.385 8.277 -0.455 33 HE ARG 5 HE ARG 5 -0.810 8.312 -3.258 34 HH11 ARG 5 HH11 ARG 5 -2.629 9.925 -0.720 35 HH12 ARG 5 HH12 ARG 5 -2.627 11.458 -1.528 36 HH21 ARG 5 HH21 ARG 5 -0.808 10.352 -4.330 37 HH22 ARG 5 HH22 ARG 5 -1.583 11.707 -3.583 38 H ALA 6 HN ALA 6 2.500 6.388 -3.854 39 HA ALA 6 HA ALA 6 0.747 5.036 -5.564 40 HB1 ALA 6 HB1 ALA 6 3.546 6.001 -6.138 41 HB2 ALA 6 HB2 ALA 6 2.076 6.967 -6.259 42 HB3 ALA 6 HB3 ALA 6 2.324 5.598 -7.342 43 H GLN 7 HN GLN 7 3.958 4.149 -4.383 44 HA GLN 7 HA GLN 7 4.169 1.781 -5.944 45 HB2 GLN 7 HB2 GLN 7 5.593 2.507 -3.383 46 HB3 GLN 7 HB1 GLN 7 6.061 1.227 -4.492 47 HG2 GLN 7 HG2 GLN 7 6.054 4.181 -5.059 48 HG3 GLN 7 HG1 GLN 7 7.465 3.155 -4.809 49 HE21 GLN 7 HE21 GLN 7 8.048 1.695 -6.404 50 HE22 GLN 7 HE22 GLN 7 7.482 1.845 -8.032 51 H LEU 8 HN LEU 8 3.198 2.407 -2.610 52 HA LEU 8 HA LEU 8 2.827 -0.325 -1.949 53 HB2 LEU 8 HB2 LEU 8 1.908 2.204 -0.629 54 HB3 LEU 8 HB1 LEU 8 1.656 0.606 0.051 55 HG LEU 8 HG LEU 8 4.393 1.681 -0.618 56 HD11 LEU 8 HD11 LEU 8 4.632 2.122 1.774 57 HD12 LEU 8 HD12 LEU 8 2.923 1.739 1.999 58 HD13 LEU 8 HD13 LEU 8 3.396 3.127 1.019 59 HD21 LEU 8 HD21 LEU 8 5.133 -0.086 0.908 60 HD22 LEU 8 HD22 LEU 8 4.232 -0.747 -0.458 61 HD23 LEU 8 HD23 LEU 8 3.459 -0.593 1.123 62 H LEU 9 HN LEU 9 0.627 2.206 -3.105 63 HA LEU 9 HA LEU 9 -1.745 0.784 -2.667 64 HB2 LEU 9 HB2 LEU 9 -1.550 3.221 -2.994 65 HB3 LEU 9 HB1 LEU 9 -1.168 2.929 -4.682 66 HG LEU 9 HG LEU 9 -3.327 1.659 -4.731 67 HD11 LEU 9 HD11 LEU 9 -3.814 3.302 -2.266 68 HD12 LEU 9 HD12 LEU 9 -3.798 1.542 -2.380 69 HD13 LEU 9 HD13 LEU 9 -5.068 2.466 -3.180 70 HD21 LEU 9 HD21 LEU 9 -3.305 4.645 -4.459 71 HD22 LEU 9 HD22 LEU 9 -4.596 3.713 -5.222 72 HD23 LEU 9 HD23 LEU 9 -2.975 3.718 -5.921 73 H THR 10 HN THR 10 0.369 1.122 -5.513 74 HA THR 10 HA THR 10 -1.253 -0.468 -7.206 75 HB THR 10 HB THR 10 0.910 -0.738 -8.544 76 HG1 THR 10 HG1 THR 10 1.930 1.347 -6.952 77 HG21 THR 10 HG21 THR 10 0.875 1.601 -9.302 78 HG22 THR 10 HG22 THR 10 -0.039 2.050 -7.861 79 HG23 THR 10 HG23 THR 10 -0.758 0.977 -9.063 80 H ALA 11 HN ALA 11 1.291 -1.170 -4.928 81 HA ALA 11 HA ALA 11 1.766 -3.865 -5.570 82 HB1 ALA 11 HB1 ALA 11 2.718 -4.042 -3.376 83 HB2 ALA 11 HB2 ALA 11 1.908 -2.556 -2.871 84 HB3 ALA 11 HB3 ALA 11 3.179 -2.498 -4.092 85 H ALA 12 HN ALA 12 -0.651 -2.302 -3.555 86 HA ALA 12 HA ALA 12 -1.845 -4.560 -2.362 87 HB1 ALA 12 HB1 ALA 12 -3.830 -3.097 -2.170 88 HB2 ALA 12 HB2 ALA 12 -3.020 -1.914 -3.196 89 HB3 ALA 12 HB3 ALA 12 -2.342 -2.327 -1.621 90 H GLU 13 HN GLU 13 -2.360 -2.957 -5.451 91 HA GLU 13 HA GLU 13 -4.530 -4.580 -6.300 92 HB2 GLU 13 HB2 GLU 13 -2.576 -3.027 -8.003 93 HB3 GLU 13 HB1 GLU 13 -4.187 -3.559 -8.468 94 HG2 GLU 13 HG2 GLU 13 -3.570 -1.562 -6.302 95 HG3 GLU 13 HG1 GLU 13 -4.099 -1.170 -7.936 96 H LYS 14 HN LYS 14 -1.037 -4.688 -6.727 97 HA LYS 14 HA LYS 14 -0.928 -6.767 -8.614 98 HB2 LYS 14 HB2 LYS 14 1.071 -5.742 -6.626 99 HB3 LYS 14 HB1 LYS 14 1.442 -7.045 -7.745 100 HG2 LYS 14 HG2 LYS 14 0.935 -5.571 -9.622 101 HG3 LYS 14 HG1 LYS 14 0.585 -4.263 -8.490 102 HD2 LYS 14 HD2 LYS 14 2.860 -4.296 -7.692 103 HD3 LYS 14 HD1 LYS 14 3.227 -5.695 -8.702 104 HE2 LYS 14 HE2 LYS 14 2.357 -3.003 -9.703 105 HE3 LYS 14 HE1 LYS 14 4.027 -3.578 -9.678 106 HZ1 LYS 14 HZ1 LYS 14 1.765 -4.694 -11.254 107 HZ2 LYS 14 HZ2 LYS 14 3.286 -5.422 -11.147 108 HZ3 LYS 14 HZ3 LYS 14 3.131 -3.896 -11.854 109 H ALA 15 HN ALA 15 -0.701 -6.824 -5.064 110 HA ALA 15 HA ALA 15 -0.196 -9.579 -4.809 111 HB1 ALA 15 HB1 ALA 15 -1.023 -9.310 -2.493 112 HB2 ALA 15 HB2 ALA 15 -1.550 -7.676 -2.910 113 HB3 ALA 15 HB3 ALA 15 0.161 -8.098 -2.970 114 H ASP 16 HN ASP 16 -3.187 -7.773 -5.086 115 HA ASP 16 HA ASP 16 -4.947 -9.930 -4.573 116 HB2 ASP 16 HB2 ASP 16 -5.697 -7.596 -4.543 117 HB3 ASP 16 HB1 ASP 16 -5.358 -7.454 -6.263 118 H GLU 17 HN GLU 17 -3.576 -8.569 -7.511 119 HA GLU 17 HA GLU 17 -4.757 -10.243 -9.397 120 HB2 GLU 17 HB2 GLU 17 -3.567 -8.103 -9.816 121 HB3 GLU 17 HB1 GLU 17 -2.049 -8.912 -9.461 122 HG2 GLU 17 HG2 GLU 17 -2.430 -10.409 -11.353 123 HG3 GLU 17 HG1 GLU 17 -3.930 -9.540 -11.687 124 H LEU 18 HN LEU 18 -1.957 -10.658 -7.334 125 HA LEU 18 HA LEU 18 -0.986 -13.016 -8.677 126 HB2 LEU 18 HB2 LEU 18 -0.255 -11.768 -6.050 127 HB3 LEU 18 HB1 LEU 18 0.576 -13.129 -6.770 128 HG LEU 18 HG LEU 18 0.408 -10.356 -7.932 129 HD11 LEU 18 HD11 LEU 18 2.746 -10.218 -7.389 130 HD12 LEU 18 HD12 LEU 18 2.706 -11.851 -6.721 131 HD13 LEU 18 HD13 LEU 18 1.805 -10.554 -5.935 132 HD21 LEU 18 HD21 LEU 18 1.847 -12.829 -8.889 133 HD22 LEU 18 HD22 LEU 18 2.074 -11.208 -9.543 134 HD23 LEU 18 HD23 LEU 18 0.511 -12.008 -9.697 135 H GLY 19 HN GLY 19 -3.353 -12.351 -6.337 136 HA2 GLY 19 HA2 GLY 19 -4.843 -13.869 -5.392 137 HA3 GLY 19 HA1 GLY 19 -3.807 -15.181 -5.931 138 H CYS 20 HN CYS 20 -2.586 -12.473 -4.119 139 HA CYS 20 HA CYS 20 -1.957 -14.288 -1.899 140 HB2 CYS 20 HB2 CYS 20 -0.838 -11.535 -2.436 141 HB3 CYS 20 HB1 CYS 20 -0.202 -12.748 -1.333 142 HG CYS 20 HG CYS 20 1.031 -12.150 -4.080 143 HA PRO 21 HA PRO 21 -5.455 -11.925 -0.141 144 HB2 PRO 21 HB2 PRO 21 -5.848 -13.593 1.987 145 HB3 PRO 21 HB1 PRO 21 -6.521 -13.872 0.378 146 HG2 PRO 21 HG2 PRO 21 -4.093 -15.064 1.649 147 HG3 PRO 21 HG1 PRO 21 -5.328 -15.843 0.643 148 HD2 PRO 21 HD2 PRO 21 -2.910 -15.123 -0.320 149 HD3 PRO 21 HD1 PRO 21 -4.377 -15.095 -1.320 150 H GLU 22 HN GLU 22 -2.826 -13.276 1.871 151 HA GLU 22 HA GLU 22 -3.223 -11.356 3.943 152 HB2 GLU 22 HB2 GLU 22 -2.211 -13.585 4.335 153 HB3 GLU 22 HB1 GLU 22 -0.801 -13.078 3.418 154 HG2 GLU 22 HG2 GLU 22 -0.300 -11.374 5.048 155 HG3 GLU 22 HG1 GLU 22 -1.771 -11.758 5.940 156 H GLU 23 HN GLU 23 -0.943 -11.687 1.279 157 HA GLU 23 HA GLU 23 0.595 -9.419 1.900 158 HB2 GLU 23 HB2 GLU 23 1.326 -11.214 0.350 159 HB3 GLU 23 HB1 GLU 23 0.121 -10.676 -0.806 160 HG2 GLU 23 HG2 GLU 23 1.250 -8.659 -1.202 161 HG3 GLU 23 HG1 GLU 23 2.286 -8.872 0.207 162 H ARG 24 HN ARG 24 -2.377 -9.877 0.085 163 HA ARG 24 HA ARG 24 -2.575 -7.362 -1.114 164 HB2 ARG 24 HB2 ARG 24 -4.083 -9.304 -1.563 165 HB3 ARG 24 HB1 ARG 24 -4.831 -9.041 0.006 166 HG2 ARG 24 HG2 ARG 24 -5.258 -6.641 -0.909 167 HG3 ARG 24 HG1 ARG 24 -5.009 -7.409 -2.478 168 HD2 ARG 24 HD2 ARG 24 -7.013 -8.280 -0.396 169 HD3 ARG 24 HD1 ARG 24 -7.387 -7.335 -1.832 170 HE ARG 24 HE ARG 24 -6.672 -9.301 -3.147 171 HH11 ARG 24 HH11 ARG 24 -7.638 -9.760 0.204 172 HH12 ARG 24 HH12 ARG 24 -8.138 -11.395 -0.030 173 HH21 ARG 24 HH21 ARG 24 -7.317 -11.484 -3.452 174 HH22 ARG 24 HH22 ARG 24 -7.937 -12.390 -2.118 175 H ALA 25 HN ALA 25 -3.594 -8.516 2.076 176 HA ALA 25 HA ALA 25 -4.749 -6.054 2.888 177 HB1 ALA 25 HB1 ALA 25 -3.776 -8.380 4.539 178 HB2 ALA 25 HB2 ALA 25 -5.408 -8.155 3.910 179 HB3 ALA 25 HB3 ALA 25 -4.774 -7.053 5.131 180 H GLN 26 HN GLN 26 -1.568 -7.526 3.302 181 HA GLN 26 HA GLN 26 -0.500 -5.635 5.082 182 HB2 GLN 26 HB2 GLN 26 0.595 -7.747 4.767 183 HB3 GLN 26 HB1 GLN 26 0.782 -7.459 3.046 184 HG2 GLN 26 HG2 GLN 26 2.891 -7.203 4.210 185 HG3 GLN 26 HG1 GLN 26 2.361 -5.679 3.501 186 HE21 GLN 26 HE21 GLN 26 3.665 -4.506 4.904 187 HE22 GLN 26 HE22 GLN 26 3.269 -4.301 6.575 188 H LEU 27 HN LEU 27 -0.530 -5.793 1.558 189 HA LEU 27 HA LEU 27 0.940 -3.384 1.251 190 HB2 LEU 27 HB2 LEU 27 -0.650 -5.037 -0.657 191 HB3 LEU 27 HB1 LEU 27 0.263 -3.613 -1.128 192 HG LEU 27 HG LEU 27 1.549 -5.938 0.282 193 HD11 LEU 27 HD11 LEU 27 1.345 -5.447 -2.660 194 HD12 LEU 27 HD12 LEU 27 0.505 -6.703 -1.754 195 HD13 LEU 27 HD13 LEU 27 2.268 -6.728 -1.869 196 HD21 LEU 27 HD21 LEU 27 2.662 -3.753 -1.465 197 HD22 LEU 27 HD22 LEU 27 3.586 -5.014 -0.650 198 HD23 LEU 27 HD23 LEU 27 2.745 -3.786 0.298 199 H LEU 28 HN LEU 28 -2.493 -4.205 1.280 200 HA LEU 28 HA LEU 28 -3.465 -1.717 0.397 201 HB2 LEU 28 HB2 LEU 28 -4.635 -3.967 1.946 202 HB3 LEU 28 HB1 LEU 28 -5.509 -2.454 1.828 203 HG LEU 28 HG LEU 28 -4.557 -3.950 -0.594 204 HD11 LEU 28 HD11 LEU 28 -7.230 -4.082 0.756 205 HD12 LEU 28 HD12 LEU 28 -6.026 -5.373 0.687 206 HD13 LEU 28 HD13 LEU 28 -6.802 -4.811 -0.794 207 HD21 LEU 28 HD21 LEU 28 -5.068 -1.586 -0.931 208 HD22 LEU 28 HD22 LEU 28 -6.645 -1.812 -0.178 209 HD23 LEU 28 HD23 LEU 28 -6.279 -2.605 -1.709 210 H THR 29 HN THR 29 -2.667 -2.910 3.620 211 HA THR 29 HA THR 29 -3.520 -0.546 4.948 212 HB THR 29 HB THR 29 -1.999 -1.431 6.828 213 HG1 THR 29 HG1 THR 29 -1.996 -3.771 5.205 214 HG21 THR 29 HG21 THR 29 -4.191 -3.204 5.745 215 HG22 THR 29 HG22 THR 29 -4.416 -1.798 6.785 216 HG23 THR 29 HG23 THR 29 -3.577 -3.224 7.397 217 H ALA 30 HN ALA 30 -0.514 -1.633 3.516 218 HA ALA 30 HA ALA 30 1.165 0.451 4.405 219 HB1 ALA 30 HB1 ALA 30 1.867 -1.700 3.329 220 HB2 ALA 30 HB2 ALA 30 2.673 -0.248 2.752 221 HB3 ALA 30 HB3 ALA 30 1.396 -0.990 1.781 222 H ALA 31 HN ALA 31 -1.052 0.167 1.695 223 HA ALA 31 HA ALA 31 -0.442 2.497 0.263 224 HB1 ALA 31 HB1 ALA 31 -2.710 2.339 -0.594 225 HB2 ALA 31 HB2 ALA 31 -3.131 1.205 0.689 226 HB3 ALA 31 HB3 ALA 31 -1.950 0.748 -0.538 227 H GLU 32 HN GLU 32 -2.570 1.926 3.024 228 HA GLU 32 HA GLU 32 -3.537 4.593 3.238 229 HB2 GLU 32 HB2 GLU 32 -3.502 2.285 5.179 230 HB3 GLU 32 HB1 GLU 32 -4.284 3.823 5.512 231 HG2 GLU 32 HG2 GLU 32 -4.960 2.087 3.162 232 HG3 GLU 32 HG1 GLU 32 -5.792 2.008 4.715 233 H LYS 33 HN LYS 33 -0.950 2.765 4.777 234 HA LYS 33 HA LYS 33 -0.228 4.579 6.759 235 HB2 LYS 33 HB2 LYS 33 1.412 2.580 5.222 236 HB3 LYS 33 HB1 LYS 33 2.069 3.516 6.554 237 HG2 LYS 33 HG2 LYS 33 0.379 2.560 8.045 238 HG3 LYS 33 HG1 LYS 33 -0.249 1.604 6.701 239 HD2 LYS 33 HD2 LYS 33 1.820 0.405 6.511 240 HD3 LYS 33 HD1 LYS 33 2.589 1.463 7.695 241 HE2 LYS 33 HE2 LYS 33 0.286 -0.409 8.226 242 HE3 LYS 33 HE1 LYS 33 1.966 -0.683 8.684 243 HZ1 LYS 33 HZ1 LYS 33 1.847 1.318 10.068 244 HZ2 LYS 33 HZ2 LYS 33 0.725 0.150 10.549 245 HZ3 LYS 33 HZ3 LYS 33 0.211 1.498 9.675 246 H ALA 34 HN ALA 34 1.189 4.233 3.515 247 HA ALA 34 HA ALA 34 2.908 6.445 3.726 248 HB1 ALA 34 HB1 ALA 34 3.027 6.331 1.269 249 HB2 ALA 34 HB2 ALA 34 1.697 5.170 1.283 250 HB3 ALA 34 HB3 ALA 34 3.236 4.764 2.044 251 H ASP 35 HN ASP 35 -0.437 6.164 2.698 252 HA ASP 35 HA ASP 35 -0.712 8.789 1.680 253 HB2 ASP 35 HB2 ASP 35 -2.327 7.005 1.177 254 HB3 ASP 35 HB1 ASP 35 -2.816 6.967 2.868 255 H GLU 36 HN GLU 36 -1.269 7.375 4.862 256 HA GLU 36 HA GLU 36 -2.240 9.701 6.120 257 HB2 GLU 36 HB2 GLU 36 -0.907 7.216 7.169 258 HB3 GLU 36 HB1 GLU 36 -1.437 8.511 8.231 259 HG2 GLU 36 HG2 GLU 36 -3.205 6.961 6.354 260 HG3 GLU 36 HG1 GLU 36 -3.067 6.695 8.093 261 H LEU 37 HN LEU 37 0.991 8.510 5.517 262 HA LEU 37 HA LEU 37 2.301 10.432 7.203 263 HB2 LEU 37 HB2 LEU 37 3.384 8.688 5.022 264 HB3 LEU 37 HB1 LEU 37 4.339 9.603 6.169 265 HG LEU 37 HG LEU 37 2.488 7.329 6.849 266 HD11 LEU 37 HD11 LEU 37 5.473 7.522 6.845 267 HD12 LEU 37 HD12 LEU 37 4.495 6.699 5.630 268 HD13 LEU 37 HD13 LEU 37 4.515 6.108 7.300 269 HD21 LEU 37 HD21 LEU 37 2.598 8.958 8.654 270 HD22 LEU 37 HD22 LEU 37 4.360 8.947 8.577 271 HD23 LEU 37 HD23 LEU 37 3.490 7.500 9.083 272 H GLY 38 HN GLY 38 0.949 10.500 4.099 273 HA2 GLY 38 HA2 GLY 38 0.780 12.298 2.648 274 HA3 GLY 38 HA1 GLY 38 1.930 13.174 3.647 Start of MODEL 17 1 H1 SER 1 HN SER 1 3.871 10.953 2.584 2 HA SER 1 HA SER 1 5.026 11.729 0.303 3 HB2 SER 1 HB2 SER 1 5.096 8.952 1.479 4 HB3 SER 1 HB1 SER 1 6.249 9.549 0.289 5 HG SER 1 HG SER 1 7.290 10.383 1.886 6 HA PRO 2 HA PRO 2 2.001 10.373 -2.786 7 HB2 PRO 2 HB2 PRO 2 3.268 11.608 -4.885 8 HB3 PRO 2 HB1 PRO 2 2.149 12.425 -3.787 9 HG2 PRO 2 HG2 PRO 2 5.140 12.389 -3.765 10 HG3 PRO 2 HG1 PRO 2 4.034 13.747 -3.489 11 HD2 PRO 2 HD2 PRO 2 5.249 12.478 -1.465 12 HD3 PRO 2 HD1 PRO 2 3.597 13.110 -1.308 13 H GLU 3 HN GLU 3 5.518 10.180 -3.189 14 HA GLU 3 HA GLU 3 5.410 8.302 -5.319 15 HB2 GLU 3 HB2 GLU 3 7.345 9.776 -4.897 16 HB3 GLU 3 HB1 GLU 3 7.669 8.902 -3.410 17 HG2 GLU 3 HG2 GLU 3 8.159 6.898 -4.641 18 HG3 GLU 3 HG1 GLU 3 7.715 7.685 -6.156 19 H GLU 4 HN GLU 4 5.916 8.025 -1.832 20 HA GLU 4 HA GLU 4 6.203 5.210 -1.804 21 HB2 GLU 4 HB2 GLU 4 5.251 7.077 0.376 22 HB3 GLU 4 HB1 GLU 4 5.703 5.395 0.615 23 HG2 GLU 4 HG2 GLU 4 7.518 7.608 -0.310 24 HG3 GLU 4 HG1 GLU 4 7.492 6.874 1.293 25 H ARG 5 HN ARG 5 3.460 7.385 -1.596 26 HA ARG 5 HA ARG 5 1.464 5.545 -0.901 27 HB2 ARG 5 HB2 ARG 5 1.403 8.134 -1.064 28 HB3 ARG 5 HB1 ARG 5 1.031 7.872 -2.760 29 HG2 ARG 5 HG2 ARG 5 -0.910 6.487 -2.032 30 HG3 ARG 5 HG1 ARG 5 -0.567 7.005 -0.379 31 HD2 ARG 5 HD2 ARG 5 -1.301 8.748 -2.726 32 HD3 ARG 5 HD1 ARG 5 -2.298 8.394 -1.320 33 HE ARG 5 HE ARG 5 0.237 9.890 -1.110 34 HH11 ARG 5 HH11 ARG 5 -3.132 9.445 -0.223 35 HH12 ARG 5 HH12 ARG 5 -3.250 10.966 0.596 36 HH21 ARG 5 HH21 ARG 5 0.087 11.910 0.012 37 HH22 ARG 5 HH22 ARG 5 -1.425 12.368 0.723 38 H ALA 6 HN ALA 6 2.644 6.639 -4.063 39 HA ALA 6 HA ALA 6 0.892 5.116 -5.623 40 HB1 ALA 6 HB1 ALA 6 2.243 6.957 -6.511 41 HB2 ALA 6 HB2 ALA 6 2.459 5.477 -7.447 42 HB3 ALA 6 HB3 ALA 6 3.698 5.985 -6.299 43 H GLN 7 HN GLN 7 4.046 4.326 -4.233 44 HA GLN 7 HA GLN 7 4.406 1.861 -5.560 45 HB2 GLN 7 HB2 GLN 7 5.477 2.857 -2.924 46 HB3 GLN 7 HB1 GLN 7 5.992 1.360 -3.686 47 HG2 GLN 7 HG2 GLN 7 6.908 2.547 -5.544 48 HG3 GLN 7 HG1 GLN 7 6.226 4.067 -4.967 49 HE21 GLN 7 HE21 GLN 7 8.237 5.025 -4.917 50 HE22 GLN 7 HE22 GLN 7 9.408 4.669 -3.697 51 H LEU 8 HN LEU 8 3.018 2.607 -2.354 52 HA LEU 8 HA LEU 8 2.498 -0.114 -1.784 53 HB2 LEU 8 HB2 LEU 8 1.678 2.448 -0.522 54 HB3 LEU 8 HB1 LEU 8 0.888 0.945 -0.089 55 HG LEU 8 HG LEU 8 2.415 0.932 1.499 56 HD11 LEU 8 HD11 LEU 8 4.136 -0.126 -0.710 57 HD12 LEU 8 HD12 LEU 8 2.851 -0.999 0.128 58 HD13 LEU 8 HD13 LEU 8 4.283 -0.476 1.017 59 HD21 LEU 8 HD21 LEU 8 4.234 2.196 1.723 60 HD22 LEU 8 HD22 LEU 8 3.391 3.140 0.486 61 HD23 LEU 8 HD23 LEU 8 4.712 2.060 0.030 62 H LEU 9 HN LEU 9 0.444 2.495 -3.027 63 HA LEU 9 HA LEU 9 -1.939 1.019 -2.874 64 HB2 LEU 9 HB2 LEU 9 -1.089 3.452 -4.335 65 HB3 LEU 9 HB1 LEU 9 -2.546 2.638 -4.859 66 HG LEU 9 HG LEU 9 -3.456 2.858 -2.558 67 HD11 LEU 9 HD11 LEU 9 -2.415 4.456 -1.032 68 HD12 LEU 9 HD12 LEU 9 -1.033 4.576 -2.123 69 HD13 LEU 9 HD13 LEU 9 -1.389 3.051 -1.323 70 HD21 LEU 9 HD21 LEU 9 -4.075 4.418 -4.298 71 HD22 LEU 9 HD22 LEU 9 -2.667 5.416 -3.928 72 HD23 LEU 9 HD23 LEU 9 -3.961 5.237 -2.740 73 H THR 10 HN THR 10 0.494 1.237 -5.432 74 HA THR 10 HA THR 10 -0.988 -0.391 -7.238 75 HB THR 10 HB THR 10 1.260 -0.698 -8.388 76 HG1 THR 10 HG1 THR 10 2.235 1.400 -6.801 77 HG21 THR 10 HG21 THR 10 -0.324 1.042 -9.061 78 HG22 THR 10 HG22 THR 10 1.336 1.622 -9.193 79 HG23 THR 10 HG23 THR 10 0.332 2.125 -7.834 80 H ALA 11 HN ALA 11 1.298 -0.987 -4.665 81 HA ALA 11 HA ALA 11 1.859 -3.704 -5.172 82 HB1 ALA 11 HB1 ALA 11 1.695 -2.427 -2.455 83 HB2 ALA 11 HB2 ALA 11 3.053 -2.207 -3.557 84 HB3 ALA 11 HB3 ALA 11 2.663 -3.817 -2.954 85 H ALA 12 HN ALA 12 -0.764 -2.116 -3.448 86 HA ALA 12 HA ALA 12 -2.054 -4.382 -2.377 87 HB1 ALA 12 HB1 ALA 12 -3.242 -1.790 -3.365 88 HB2 ALA 12 HB2 ALA 12 -2.618 -2.098 -1.744 89 HB3 ALA 12 HB3 ALA 12 -4.044 -2.962 -2.319 90 H GLU 13 HN GLU 13 -2.308 -2.749 -5.494 91 HA GLU 13 HA GLU 13 -4.351 -4.389 -6.594 92 HB2 GLU 13 HB2 GLU 13 -3.833 -2.127 -7.411 93 HB3 GLU 13 HB1 GLU 13 -2.253 -2.678 -7.942 94 HG2 GLU 13 HG2 GLU 13 -3.339 -4.198 -9.528 95 HG3 GLU 13 HG1 GLU 13 -4.909 -3.584 -9.015 96 H LYS 14 HN LYS 14 -0.832 -4.483 -6.630 97 HA LYS 14 HA LYS 14 -0.539 -6.560 -8.498 98 HB2 LYS 14 HB2 LYS 14 1.240 -5.611 -6.269 99 HB3 LYS 14 HB1 LYS 14 1.718 -6.866 -7.405 100 HG2 LYS 14 HG2 LYS 14 1.495 -5.343 -9.249 101 HG3 LYS 14 HG1 LYS 14 0.878 -4.088 -8.175 102 HD2 LYS 14 HD2 LYS 14 3.019 -4.090 -6.980 103 HD3 LYS 14 HD1 LYS 14 3.628 -5.312 -8.099 104 HE2 LYS 14 HE2 LYS 14 2.616 -2.600 -8.892 105 HE3 LYS 14 HE1 LYS 14 4.321 -3.005 -8.686 106 HZ1 LYS 14 HZ1 LYS 14 3.677 -3.110 -10.997 107 HZ2 LYS 14 HZ2 LYS 14 2.450 -4.215 -10.654 108 HZ3 LYS 14 HZ3 LYS 14 4.070 -4.658 -10.452 109 H ALA 15 HN ALA 15 -1.016 -6.538 -5.019 110 HA ALA 15 HA ALA 15 -0.669 -9.313 -4.596 111 HB1 ALA 15 HB1 ALA 15 -0.652 -7.645 -2.793 112 HB2 ALA 15 HB2 ALA 15 -1.800 -8.946 -2.483 113 HB3 ALA 15 HB3 ALA 15 -2.375 -7.373 -3.040 114 H ASP 16 HN ASP 16 -3.408 -7.320 -5.521 115 HA ASP 16 HA ASP 16 -5.437 -9.261 -5.422 116 HB2 ASP 16 HB2 ASP 16 -5.024 -6.681 -6.828 117 HB3 ASP 16 HB1 ASP 16 -6.225 -7.754 -7.527 118 H GLU 17 HN GLU 17 -3.155 -8.352 -7.933 119 HA GLU 17 HA GLU 17 -4.099 -10.087 -9.921 120 HB2 GLU 17 HB2 GLU 17 -2.741 -8.126 -10.397 121 HB3 GLU 17 HB1 GLU 17 -1.404 -8.801 -9.481 122 HG2 GLU 17 HG2 GLU 17 -0.982 -9.050 -11.820 123 HG3 GLU 17 HG1 GLU 17 -1.263 -10.623 -11.070 124 H LEU 18 HN LEU 18 -1.771 -10.435 -7.305 125 HA LEU 18 HA LEU 18 -0.820 -12.988 -8.239 126 HB2 LEU 18 HB2 LEU 18 -0.386 -11.519 -5.656 127 HB3 LEU 18 HB1 LEU 18 0.400 -13.022 -6.083 128 HG LEU 18 HG LEU 18 0.734 -10.365 -7.466 129 HD11 LEU 18 HD11 LEU 18 3.029 -10.544 -6.679 130 HD12 LEU 18 HD12 LEU 18 2.621 -12.050 -5.855 131 HD13 LEU 18 HD13 LEU 18 1.878 -10.535 -5.341 132 HD21 LEU 18 HD21 LEU 18 0.814 -12.133 -9.121 133 HD22 LEU 18 HD22 LEU 18 1.934 -13.055 -8.120 134 HD23 LEU 18 HD23 LEU 18 2.441 -11.520 -8.824 135 H GLY 19 HN GLY 19 -3.420 -11.859 -6.348 136 HA2 GLY 19 HA2 GLY 19 -5.188 -12.991 -5.419 137 HA3 GLY 19 HA1 GLY 19 -4.522 -14.470 -6.091 138 H CYS 20 HN CYS 20 -2.680 -12.425 -3.931 139 HA CYS 20 HA CYS 20 -2.802 -14.585 -1.953 140 HB2 CYS 20 HB2 CYS 20 -0.668 -13.464 -1.077 141 HB3 CYS 20 HB1 CYS 20 -0.565 -14.338 -2.600 142 HG CYS 20 HG CYS 20 1.000 -11.971 -2.600 143 HA PRO 21 HA PRO 21 -5.497 -11.657 0.187 144 HB2 PRO 21 HB2 PRO 21 -5.447 -13.880 2.155 145 HB3 PRO 21 HB1 PRO 21 -6.827 -13.038 1.443 146 HG2 PRO 21 HG2 PRO 21 -6.193 -15.496 0.661 147 HG3 PRO 21 HG1 PRO 21 -6.745 -14.286 -0.512 148 HD2 PRO 21 HD2 PRO 21 -3.980 -15.272 0.039 149 HD3 PRO 21 HD1 PRO 21 -4.751 -14.880 -1.512 150 H GLU 22 HN GLU 22 -2.913 -13.499 1.820 151 HA GLU 22 HA GLU 22 -2.863 -11.844 4.115 152 HB2 GLU 22 HB2 GLU 22 -1.935 -14.084 4.170 153 HB3 GLU 22 HB1 GLU 22 -0.719 -13.634 2.981 154 HG2 GLU 22 HG2 GLU 22 0.208 -12.013 4.570 155 HG3 GLU 22 HG1 GLU 22 -0.978 -12.531 5.766 156 H GLU 23 HN GLU 23 -0.902 -11.862 1.156 157 HA GLU 23 HA GLU 23 0.722 -9.696 2.007 158 HB2 GLU 23 HB2 GLU 23 0.183 -10.680 -0.797 159 HB3 GLU 23 HB1 GLU 23 1.445 -9.549 -0.341 160 HG2 GLU 23 HG2 GLU 23 2.352 -11.371 1.159 161 HG3 GLU 23 HG1 GLU 23 1.232 -12.462 0.342 162 H ARG 24 HN ARG 24 -2.269 -9.984 0.214 163 HA ARG 24 HA ARG 24 -2.439 -7.358 -0.729 164 HB2 ARG 24 HB2 ARG 24 -3.907 -9.280 -1.404 165 HB3 ARG 24 HB1 ARG 24 -4.759 -9.090 0.123 166 HG2 ARG 24 HG2 ARG 24 -5.259 -6.738 -0.546 167 HG3 ARG 24 HG1 ARG 24 -4.590 -7.116 -2.134 168 HD2 ARG 24 HD2 ARG 24 -6.245 -8.940 -2.347 169 HD3 ARG 24 HD1 ARG 24 -6.946 -8.439 -0.809 170 HE ARG 24 HE ARG 24 -6.882 -6.790 -3.255 171 HH11 ARG 24 HH11 ARG 24 -8.396 -7.706 -0.212 172 HH12 ARG 24 HH12 ARG 24 -9.742 -6.646 -0.416 173 HH21 ARG 24 HH21 ARG 24 -8.660 -5.389 -3.521 174 HH22 ARG 24 HH22 ARG 24 -9.899 -5.318 -2.318 175 H ALA 25 HN ALA 25 -3.552 -8.807 2.309 176 HA ALA 25 HA ALA 25 -4.832 -6.518 3.323 177 HB1 ALA 25 HB1 ALA 25 -3.539 -8.768 4.861 178 HB2 ALA 25 HB2 ALA 25 -5.184 -8.770 4.225 179 HB3 ALA 25 HB3 ALA 25 -4.729 -7.625 5.488 180 H GLN 26 HN GLN 26 -1.509 -7.695 3.700 181 HA GLN 26 HA GLN 26 -0.735 -5.600 5.461 182 HB2 GLN 26 HB2 GLN 26 0.902 -7.505 3.793 183 HB3 GLN 26 HB1 GLN 26 1.595 -6.366 4.940 184 HG2 GLN 26 HG2 GLN 26 0.359 -7.426 6.752 185 HG3 GLN 26 HG1 GLN 26 -0.350 -8.563 5.607 186 HE21 GLN 26 HE21 GLN 26 1.323 -9.014 7.959 187 HE22 GLN 26 HE22 GLN 26 2.688 -9.921 7.402 188 H LEU 27 HN LEU 27 -0.436 -6.079 1.967 189 HA LEU 27 HA LEU 27 1.041 -3.724 1.507 190 HB2 LEU 27 HB2 LEU 27 -0.634 -5.449 -0.272 191 HB3 LEU 27 HB1 LEU 27 0.199 -4.022 -0.861 192 HG LEU 27 HG LEU 27 1.597 -6.320 0.501 193 HD11 LEU 27 HD11 LEU 27 1.208 -5.732 -2.407 194 HD12 LEU 27 HD12 LEU 27 0.650 -7.146 -1.506 195 HD13 LEU 27 HD13 LEU 27 2.375 -6.889 -1.766 196 HD21 LEU 27 HD21 LEU 27 3.601 -5.310 -0.497 197 HD22 LEU 27 HD22 LEU 27 2.803 -4.219 0.635 198 HD23 LEU 27 HD23 LEU 27 2.612 -3.983 -1.104 199 H LEU 28 HN LEU 28 -2.410 -4.398 1.667 200 HA LEU 28 HA LEU 28 -3.256 -1.830 0.820 201 HB2 LEU 28 HB2 LEU 28 -4.549 -4.070 2.299 202 HB3 LEU 28 HB1 LEU 28 -5.340 -2.511 2.208 203 HG LEU 28 HG LEU 28 -4.452 -3.983 -0.254 204 HD11 LEU 28 HD11 LEU 28 -6.728 -4.768 -0.464 205 HD12 LEU 28 HD12 LEU 28 -7.129 -4.056 1.103 206 HD13 LEU 28 HD13 LEU 28 -5.978 -5.391 1.005 207 HD21 LEU 28 HD21 LEU 28 -6.130 -2.548 -1.317 208 HD22 LEU 28 HD22 LEU 28 -4.885 -1.595 -0.510 209 HD23 LEU 28 HD23 LEU 28 -6.470 -1.792 0.239 210 H THR 29 HN THR 29 -2.306 -3.181 3.907 211 HA THR 29 HA THR 29 -3.091 -0.985 5.521 212 HB THR 29 HB THR 29 -0.849 -2.983 5.973 213 HG1 THR 29 HG1 THR 29 -2.943 -3.955 5.760 214 HG21 THR 29 HG21 THR 29 -1.103 -2.412 8.351 215 HG22 THR 29 HG22 THR 29 -2.313 -1.199 7.930 216 HG23 THR 29 HG23 THR 29 -0.642 -0.998 7.403 217 H ALA 30 HN ALA 30 -0.098 -1.888 3.889 218 HA ALA 30 HA ALA 30 1.478 0.360 4.591 219 HB1 ALA 30 HB1 ALA 30 2.293 -1.798 3.661 220 HB2 ALA 30 HB2 ALA 30 2.932 -0.369 2.857 221 HB3 ALA 30 HB3 ALA 30 1.644 -1.308 2.096 222 H ALA 31 HN ALA 31 -0.740 -0.248 1.905 223 HA ALA 31 HA ALA 31 -0.297 2.132 0.465 224 HB1 ALA 31 HB1 ALA 31 -1.529 0.259 -0.459 225 HB2 ALA 31 HB2 ALA 31 -2.521 1.717 -0.494 226 HB3 ALA 31 HB3 ALA 31 -2.809 0.482 0.732 227 H GLU 32 HN GLU 32 -2.572 1.342 3.052 228 HA GLU 32 HA GLU 32 -3.885 3.857 3.163 229 HB2 GLU 32 HB2 GLU 32 -4.525 1.524 4.157 230 HB3 GLU 32 HB1 GLU 32 -3.555 2.034 5.529 231 HG2 GLU 32 HG2 GLU 32 -5.790 2.543 6.047 232 HG3 GLU 32 HG1 GLU 32 -5.007 4.074 5.660 233 H LYS 33 HN LYS 33 -1.127 2.463 4.829 234 HA LYS 33 HA LYS 33 -0.698 4.552 6.677 235 HB2 LYS 33 HB2 LYS 33 0.221 2.235 6.830 236 HB3 LYS 33 HB1 LYS 33 1.328 2.628 5.526 237 HG2 LYS 33 HG2 LYS 33 2.357 4.353 6.914 238 HG3 LYS 33 HG1 LYS 33 1.239 3.965 8.224 239 HD2 LYS 33 HD2 LYS 33 3.266 2.083 7.008 240 HD3 LYS 33 HD1 LYS 33 3.418 2.898 8.565 241 HE2 LYS 33 HE2 LYS 33 1.413 1.725 9.361 242 HE3 LYS 33 HE1 LYS 33 1.284 0.901 7.810 243 HZ1 LYS 33 HZ1 LYS 33 3.596 0.673 9.651 244 HZ2 LYS 33 HZ2 LYS 33 3.373 -0.177 8.209 245 HZ3 LYS 33 HZ3 LYS 33 2.346 -0.455 9.521 246 H ALA 34 HN ALA 34 0.558 3.887 3.441 247 HA ALA 34 HA ALA 34 2.382 6.014 3.293 248 HB1 ALA 34 HB1 ALA 34 2.345 5.671 0.912 249 HB2 ALA 34 HB2 ALA 34 0.820 4.788 1.028 250 HB3 ALA 34 HB3 ALA 34 2.290 4.108 1.726 251 H ASP 35 HN ASP 35 -1.058 5.793 2.609 252 HA ASP 35 HA ASP 35 -1.450 8.357 1.542 253 HB2 ASP 35 HB2 ASP 35 -3.187 6.374 2.955 254 HB3 ASP 35 HB1 ASP 35 -3.807 8.000 2.750 255 H GLU 36 HN GLU 36 -1.388 7.172 4.855 256 HA GLU 36 HA GLU 36 -2.063 9.645 6.082 257 HB2 GLU 36 HB2 GLU 36 -0.594 7.297 7.277 258 HB3 GLU 36 HB1 GLU 36 -1.395 8.586 8.164 259 HG2 GLU 36 HG2 GLU 36 -3.541 7.869 7.170 260 HG3 GLU 36 HG1 GLU 36 -2.697 6.516 6.420 261 H LEU 37 HN LEU 37 0.968 8.148 5.138 262 HA LEU 37 HA LEU 37 2.604 10.024 6.559 263 HB2 LEU 37 HB2 LEU 37 3.067 7.781 4.689 264 HB3 LEU 37 HB1 LEU 37 4.298 9.024 4.710 265 HG LEU 37 HG LEU 37 4.852 7.135 6.180 266 HD11 LEU 37 HD11 LEU 37 5.721 9.350 6.691 267 HD12 LEU 37 HD12 LEU 37 5.424 8.424 8.162 268 HD13 LEU 37 HD13 LEU 37 4.298 9.690 7.676 269 HD21 LEU 37 HD21 LEU 37 2.583 6.486 6.825 270 HD22 LEU 37 HD22 LEU 37 2.420 7.974 7.760 271 HD23 LEU 37 HD23 LEU 37 3.601 6.755 8.240 272 H GLY 38 HN GLY 38 0.882 10.146 3.649 273 HA2 GLY 38 HA2 GLY 38 0.523 12.094 2.410 274 HA3 GLY 38 HA1 GLY 38 1.928 12.812 3.176 Start of MODEL 18 1 H1 SER 1 HN SER 1 2.208 10.298 2.498 2 HA SER 1 HA SER 1 4.728 11.463 1.588 3 HB2 SER 1 HB2 SER 1 4.655 9.834 3.523 4 HB3 SER 1 HB1 SER 1 4.149 8.594 2.380 5 HG SER 1 HG SER 1 6.402 8.579 2.771 6 HA PRO 2 HA PRO 2 2.948 10.469 -2.456 7 HB2 PRO 2 HB2 PRO 2 5.011 11.544 -3.918 8 HB3 PRO 2 HB1 PRO 2 3.658 12.472 -3.265 9 HG2 PRO 2 HG2 PRO 2 6.421 12.129 -2.179 10 HG3 PRO 2 HG1 PRO 2 5.415 13.587 -2.244 11 HD2 PRO 2 HD2 PRO 2 5.717 12.166 0.014 12 HD3 PRO 2 HD1 PRO 2 4.187 12.974 -0.384 13 H GLU 3 HN GLU 3 6.422 9.878 -1.825 14 HA GLU 3 HA GLU 3 6.707 8.013 -3.949 15 HB2 GLU 3 HB2 GLU 3 8.603 9.227 -2.888 16 HB3 GLU 3 HB1 GLU 3 8.375 8.253 -1.443 17 HG2 GLU 3 HG2 GLU 3 8.763 6.229 -2.884 18 HG3 GLU 3 HG1 GLU 3 9.265 7.339 -4.158 19 H GLU 4 HN GLU 4 6.173 7.670 -0.475 20 HA GLU 4 HA GLU 4 6.223 4.842 -0.507 21 HB2 GLU 4 HB2 GLU 4 4.952 6.682 1.521 22 HB3 GLU 4 HB1 GLU 4 5.328 4.980 1.758 23 HG2 GLU 4 HG2 GLU 4 7.733 5.556 1.351 24 HG3 GLU 4 HG1 GLU 4 7.259 7.251 1.393 25 H ARG 5 HN ARG 5 3.686 7.246 -0.874 26 HA ARG 5 HA ARG 5 1.474 5.547 -0.684 27 HB2 ARG 5 HB2 ARG 5 1.521 8.083 -0.768 28 HB3 ARG 5 HB1 ARG 5 1.725 7.933 -2.507 29 HG2 ARG 5 HG2 ARG 5 -0.406 6.548 -2.465 30 HG3 ARG 5 HG1 ARG 5 -0.611 7.170 -0.823 31 HD2 ARG 5 HD2 ARG 5 -1.830 8.609 -2.272 32 HD3 ARG 5 HD1 ARG 5 -0.376 9.476 -1.779 33 HE ARG 5 HE ARG 5 -0.510 8.048 -4.352 34 HH11 ARG 5 HH11 ARG 5 0.121 10.990 -2.530 35 HH12 ARG 5 HH12 ARG 5 0.628 11.893 -3.912 36 HH21 ARG 5 HH21 ARG 5 0.181 9.244 -6.188 37 HH22 ARG 5 HH22 ARG 5 0.658 10.895 -6.006 38 H ALA 6 HN ALA 6 3.408 6.577 -3.483 39 HA ALA 6 HA ALA 6 1.900 5.161 -5.391 40 HB1 ALA 6 HB1 ALA 6 3.771 5.537 -6.894 41 HB2 ALA 6 HB2 ALA 6 4.789 5.998 -5.529 42 HB3 ALA 6 HB3 ALA 6 3.405 6.998 -5.975 43 H GLN 7 HN GLN 7 4.804 4.310 -3.564 44 HA GLN 7 HA GLN 7 5.243 1.850 -4.882 45 HB2 GLN 7 HB2 GLN 7 6.956 3.116 -3.610 46 HB3 GLN 7 HB1 GLN 7 6.122 2.692 -2.122 47 HG2 GLN 7 HG2 GLN 7 6.541 0.338 -2.543 48 HG3 GLN 7 HG1 GLN 7 7.332 0.758 -4.061 49 HE21 GLN 7 HE21 GLN 7 8.372 -0.639 -1.727 50 HE22 GLN 7 HE22 GLN 7 9.762 0.262 -1.226 51 H LEU 8 HN LEU 8 3.622 2.671 -1.824 52 HA LEU 8 HA LEU 8 3.076 -0.031 -1.159 53 HB2 LEU 8 HB2 LEU 8 2.033 2.569 -0.103 54 HB3 LEU 8 HB1 LEU 8 1.483 1.019 0.509 55 HG LEU 8 HG LEU 8 4.398 1.778 0.478 56 HD11 LEU 8 HD11 LEU 8 2.370 2.207 2.649 57 HD12 LEU 8 HD12 LEU 8 3.283 3.445 1.780 58 HD13 LEU 8 HD13 LEU 8 4.117 2.325 2.856 59 HD21 LEU 8 HD21 LEU 8 2.830 -0.223 2.091 60 HD22 LEU 8 HD22 LEU 8 4.571 0.048 2.173 61 HD23 LEU 8 HD23 LEU 8 3.850 -0.608 0.701 62 H LEU 9 HN LEU 9 1.123 2.509 -2.715 63 HA LEU 9 HA LEU 9 -1.272 1.035 -2.795 64 HB2 LEU 9 HB2 LEU 9 -0.194 3.391 -4.244 65 HB3 LEU 9 HB1 LEU 9 -1.537 2.546 -4.974 66 HG LEU 9 HG LEU 9 -2.262 4.480 -3.687 67 HD11 LEU 9 HD11 LEU 9 -3.122 1.838 -2.535 68 HD12 LEU 9 HD12 LEU 9 -3.814 2.664 -3.929 69 HD13 LEU 9 HD13 LEU 9 -3.977 3.363 -2.318 70 HD21 LEU 9 HD21 LEU 9 -0.566 4.571 -1.989 71 HD22 LEU 9 HD22 LEU 9 -1.091 3.028 -1.329 72 HD23 LEU 9 HD23 LEU 9 -2.149 4.436 -1.223 73 H THR 10 HN THR 10 1.435 1.230 -5.079 74 HA THR 10 HA THR 10 0.171 -0.407 -7.025 75 HB THR 10 HB THR 10 2.477 -0.644 -7.997 76 HG1 THR 10 HG1 THR 10 3.342 1.337 -6.201 77 HG21 THR 10 HG21 THR 10 1.601 2.169 -7.341 78 HG22 THR 10 HG22 THR 10 0.945 1.172 -8.637 79 HG23 THR 10 HG23 THR 10 2.632 1.686 -8.688 80 H ALA 11 HN ALA 11 2.305 -1.046 -4.306 81 HA ALA 11 HA ALA 11 2.855 -3.757 -4.851 82 HB1 ALA 11 HB1 ALA 11 4.039 -2.389 -3.172 83 HB2 ALA 11 HB2 ALA 11 3.462 -3.927 -2.534 84 HB3 ALA 11 HB3 ALA 11 2.595 -2.433 -2.159 85 H ALA 12 HN ALA 12 0.184 -2.178 -3.177 86 HA ALA 12 HA ALA 12 -1.201 -4.463 -2.266 87 HB1 ALA 12 HB1 ALA 12 -1.760 -2.209 -1.551 88 HB2 ALA 12 HB2 ALA 12 -3.168 -2.996 -2.266 89 HB3 ALA 12 HB3 ALA 12 -2.265 -1.796 -3.189 90 H GLU 13 HN GLU 13 -1.342 -2.657 -5.297 91 HA GLU 13 HA GLU 13 -3.342 -4.223 -6.537 92 HB2 GLU 13 HB2 GLU 13 -1.208 -2.443 -7.710 93 HB3 GLU 13 HB1 GLU 13 -2.546 -3.125 -8.620 94 HG2 GLU 13 HG2 GLU 13 -2.801 -1.253 -6.278 95 HG3 GLU 13 HG1 GLU 13 -2.948 -0.802 -7.977 96 H LYS 14 HN LYS 14 0.182 -4.344 -6.587 97 HA LYS 14 HA LYS 14 0.390 -6.358 -8.572 98 HB2 LYS 14 HB2 LYS 14 2.309 -5.365 -6.472 99 HB3 LYS 14 HB1 LYS 14 2.753 -6.593 -7.641 100 HG2 LYS 14 HG2 LYS 14 2.300 -5.034 -9.464 101 HG3 LYS 14 HG1 LYS 14 1.814 -3.807 -8.295 102 HD2 LYS 14 HD2 LYS 14 4.105 -3.940 -7.315 103 HD3 LYS 14 HD1 LYS 14 4.554 -5.019 -8.640 104 HE2 LYS 14 HE2 LYS 14 3.983 -3.277 -10.258 105 HE3 LYS 14 HE1 LYS 14 3.510 -2.204 -8.946 106 HZ1 LYS 14 HZ1 LYS 14 5.814 -2.326 -8.128 107 HZ2 LYS 14 HZ2 LYS 14 5.700 -1.647 -9.664 108 HZ3 LYS 14 HZ3 LYS 14 6.241 -3.238 -9.488 109 H ALA 15 HN ALA 15 0.214 -6.485 -5.041 110 HA ALA 15 HA ALA 15 0.687 -9.254 -4.784 111 HB1 ALA 15 HB1 ALA 15 0.715 -7.749 -2.872 112 HB2 ALA 15 HB2 ALA 15 -0.441 -9.057 -2.612 113 HB3 ALA 15 HB3 ALA 15 -1.011 -7.450 -3.063 114 H ASP 16 HN ASP 16 -2.185 -7.384 -5.490 115 HA ASP 16 HA ASP 16 -4.101 -9.456 -5.434 116 HB2 ASP 16 HB2 ASP 16 -4.779 -7.128 -5.518 117 HB3 ASP 16 HB1 ASP 16 -3.953 -6.901 -7.048 118 H GLU 17 HN GLU 17 -2.069 -8.136 -7.963 119 HA GLU 17 HA GLU 17 -2.927 -9.796 -10.075 120 HB2 GLU 17 HB2 GLU 17 -0.329 -8.322 -9.651 121 HB3 GLU 17 HB1 GLU 17 -0.809 -9.053 -11.171 122 HG2 GLU 17 HG2 GLU 17 -2.727 -7.572 -11.299 123 HG3 GLU 17 HG1 GLU 17 -2.300 -6.866 -9.743 124 H LEU 18 HN LEU 18 -0.592 -10.251 -7.521 125 HA LEU 18 HA LEU 18 0.580 -12.599 -8.717 126 HB2 LEU 18 HB2 LEU 18 0.836 -11.428 -5.961 127 HB3 LEU 18 HB1 LEU 18 1.730 -12.820 -6.533 128 HG LEU 18 HG LEU 18 1.956 -9.981 -7.504 129 HD11 LEU 18 HD11 LEU 18 3.107 -10.510 -5.429 130 HD12 LEU 18 HD12 LEU 18 4.245 -10.196 -6.741 131 HD13 LEU 18 HD13 LEU 18 3.923 -11.853 -6.227 132 HD21 LEU 18 HD21 LEU 18 3.228 -12.481 -8.610 133 HD22 LEU 18 HD22 LEU 18 3.697 -10.835 -9.030 134 HD23 LEU 18 HD23 LEU 18 2.088 -11.423 -9.442 135 H GLY 19 HN GLY 19 -2.237 -11.937 -7.027 136 HA2 GLY 19 HA2 GLY 19 -3.922 -13.363 -6.369 137 HA3 GLY 19 HA1 GLY 19 -2.911 -14.713 -6.855 138 H CYS 20 HN CYS 20 -1.931 -12.243 -4.574 139 HA CYS 20 HA CYS 20 -2.000 -14.284 -2.451 140 HB2 CYS 20 HB2 CYS 20 -0.097 -11.943 -2.685 141 HB3 CYS 20 HB1 CYS 20 -0.050 -13.215 -1.471 142 HG CYS 20 HG CYS 20 0.095 -14.931 -4.096 143 HA PRO 21 HA PRO 21 -5.023 -11.040 -1.193 144 HB2 PRO 21 HB2 PRO 21 -6.399 -12.702 0.497 145 HB3 PRO 21 HB1 PRO 21 -6.739 -12.553 -1.230 146 HG2 PRO 21 HG2 PRO 21 -5.155 -14.633 0.218 147 HG3 PRO 21 HG1 PRO 21 -6.301 -14.825 -1.121 148 HD2 PRO 21 HD2 PRO 21 -3.637 -14.874 -1.499 149 HD3 PRO 21 HD1 PRO 21 -4.745 -14.198 -2.709 150 H GLU 22 HN GLU 22 -3.319 -13.353 0.883 151 HA GLU 22 HA GLU 22 -3.691 -11.949 3.303 152 HB2 GLU 22 HB2 GLU 22 -1.458 -13.830 2.526 153 HB3 GLU 22 HB1 GLU 22 -1.859 -13.336 4.164 154 HG2 GLU 22 HG2 GLU 22 -3.984 -14.448 4.037 155 HG3 GLU 22 HG1 GLU 22 -3.719 -14.838 2.338 156 H GLU 23 HN GLU 23 -1.069 -11.919 0.922 157 HA GLU 23 HA GLU 23 0.448 -9.963 2.337 158 HB2 GLU 23 HB2 GLU 23 1.591 -11.466 0.815 159 HB3 GLU 23 HB1 GLU 23 0.613 -10.902 -0.533 160 HG2 GLU 23 HG2 GLU 23 1.623 -8.719 -0.412 161 HG3 GLU 23 HG1 GLU 23 2.518 -9.181 1.031 162 H ARG 24 HN ARG 24 -1.987 -9.901 -0.180 163 HA ARG 24 HA ARG 24 -1.676 -7.262 -1.033 164 HB2 ARG 24 HB2 ARG 24 -3.118 -9.004 -2.125 165 HB3 ARG 24 HB1 ARG 24 -4.290 -8.766 -0.837 166 HG2 ARG 24 HG2 ARG 24 -4.479 -6.394 -1.500 167 HG3 ARG 24 HG1 ARG 24 -3.387 -6.717 -2.846 168 HD2 ARG 24 HD2 ARG 24 -5.605 -6.799 -3.700 169 HD3 ARG 24 HD1 ARG 24 -5.015 -8.459 -3.624 170 HE ARG 24 HE ARG 24 -6.338 -8.028 -1.250 171 HH11 ARG 24 HH11 ARG 24 -7.154 -7.991 -4.670 172 HH12 ARG 24 HH12 ARG 24 -8.819 -8.346 -4.400 173 HH21 ARG 24 HH21 ARG 24 -8.549 -8.514 -0.898 174 HH22 ARG 24 HH22 ARG 24 -9.622 -8.652 -2.247 175 H ALA 25 HN ALA 25 -3.617 -8.621 1.600 176 HA ALA 25 HA ALA 25 -4.862 -6.223 2.377 177 HB1 ALA 25 HB1 ALA 25 -5.346 -7.354 4.478 178 HB2 ALA 25 HB2 ALA 25 -4.166 -8.605 4.088 179 HB3 ALA 25 HB3 ALA 25 -5.623 -8.434 3.111 180 H GLN 26 HN GLN 26 -1.790 -7.690 3.296 181 HA GLN 26 HA GLN 26 -1.141 -5.923 5.380 182 HB2 GLN 26 HB2 GLN 26 -0.092 -8.158 4.903 183 HB3 GLN 26 HB1 GLN 26 0.750 -7.406 3.556 184 HG2 GLN 26 HG2 GLN 26 2.220 -7.539 5.432 185 HG3 GLN 26 HG1 GLN 26 1.796 -5.854 5.122 186 HE21 GLN 26 HE21 GLN 26 1.373 -8.561 7.257 187 HE22 GLN 26 HE22 GLN 26 0.719 -7.661 8.583 188 H LEU 27 HN LEU 27 -0.517 -5.892 1.926 189 HA LEU 27 HA LEU 27 1.016 -3.498 1.969 190 HB2 LEU 27 HB2 LEU 27 -0.311 -5.039 -0.223 191 HB3 LEU 27 HB1 LEU 27 0.633 -3.587 -0.504 192 HG LEU 27 HG LEU 27 1.792 -5.947 0.943 193 HD11 LEU 27 HD11 LEU 27 0.987 -6.735 -1.177 194 HD12 LEU 27 HD12 LEU 27 2.751 -6.640 -1.179 195 HD13 LEU 27 HD13 LEU 27 1.794 -5.403 -2.000 196 HD21 LEU 27 HD21 LEU 27 3.894 -4.977 0.229 197 HD22 LEU 27 HD22 LEU 27 2.947 -3.774 1.106 198 HD23 LEU 27 HD23 LEU 27 3.035 -3.721 -0.658 199 H LEU 28 HN LEU 28 -2.361 -4.296 1.505 200 HA LEU 28 HA LEU 28 -3.236 -1.818 0.516 201 HB2 LEU 28 HB2 LEU 28 -4.581 -4.127 1.813 202 HB3 LEU 28 HB1 LEU 28 -5.462 -2.640 1.539 203 HG LEU 28 HG LEU 28 -4.038 -4.064 -0.682 204 HD11 LEU 28 HD11 LEU 28 -6.190 -5.023 -1.268 205 HD12 LEU 28 HD12 LEU 28 -6.889 -4.359 0.213 206 HD13 LEU 28 HD13 LEU 28 -5.629 -5.593 0.303 207 HD21 LEU 28 HD21 LEU 28 -6.283 -2.050 -0.609 208 HD22 LEU 28 HD22 LEU 28 -5.610 -2.788 -2.060 209 HD23 LEU 28 HD23 LEU 28 -4.613 -1.723 -1.071 210 H THR 29 HN THR 29 -3.055 -3.061 3.855 211 HA THR 29 HA THR 29 -4.252 -0.801 5.042 212 HB THR 29 HB THR 29 -2.976 -1.555 7.126 213 HG1 THR 29 HG1 THR 29 -1.367 -2.857 6.731 214 HG21 THR 29 HG21 THR 29 -5.268 -2.278 6.665 215 HG22 THR 29 HG22 THR 29 -4.337 -3.584 7.400 216 HG23 THR 29 HG23 THR 29 -4.659 -3.598 5.666 217 H ALA 30 HN ALA 30 -0.973 -1.566 4.117 218 HA ALA 30 HA ALA 30 0.282 0.734 5.216 219 HB1 ALA 30 HB1 ALA 30 1.153 -0.953 2.887 220 HB2 ALA 30 HB2 ALA 30 1.467 -1.326 4.581 221 HB3 ALA 30 HB3 ALA 30 2.163 0.123 3.856 222 H ALA 31 HN ALA 31 -1.116 -0.035 2.081 223 HA ALA 31 HA ALA 31 -0.444 2.285 0.647 224 HB1 ALA 31 HB1 ALA 31 -2.842 0.473 0.442 225 HB2 ALA 31 HB2 ALA 31 -1.318 0.319 -0.436 226 HB3 ALA 31 HB3 ALA 31 -2.388 1.685 -0.750 227 H GLU 32 HN GLU 32 -3.231 1.524 2.678 228 HA GLU 32 HA GLU 32 -4.661 3.919 2.220 229 HB2 GLU 32 HB2 GLU 32 -5.557 1.750 3.147 230 HB3 GLU 32 HB1 GLU 32 -4.782 2.162 4.669 231 HG2 GLU 32 HG2 GLU 32 -7.070 2.751 4.828 232 HG3 GLU 32 HG1 GLU 32 -6.137 4.243 4.714 233 H LYS 33 HN LYS 33 -2.313 2.961 4.669 234 HA LYS 33 HA LYS 33 -2.621 5.336 6.212 235 HB2 LYS 33 HB2 LYS 33 -1.812 3.214 7.180 236 HB3 LYS 33 HB1 LYS 33 -0.356 3.334 6.205 237 HG2 LYS 33 HG2 LYS 33 0.346 5.300 7.391 238 HG3 LYS 33 HG1 LYS 33 -1.179 5.357 8.277 239 HD2 LYS 33 HD2 LYS 33 -0.647 3.201 9.318 240 HD3 LYS 33 HD1 LYS 33 0.879 3.156 8.433 241 HE2 LYS 33 HE2 LYS 33 1.654 5.130 9.584 242 HE3 LYS 33 HE1 LYS 33 0.092 5.321 10.379 243 HZ1 LYS 33 HZ1 LYS 33 1.725 4.312 11.843 244 HZ2 LYS 33 HZ2 LYS 33 1.946 3.031 10.762 245 HZ3 LYS 33 HZ3 LYS 33 0.457 3.244 11.529 246 H ALA 34 HN ALA 34 -0.487 4.323 3.614 247 HA ALA 34 HA ALA 34 1.367 6.435 3.804 248 HB1 ALA 34 HB1 ALA 34 2.017 5.849 1.548 249 HB2 ALA 34 HB2 ALA 34 0.532 4.920 1.340 250 HB3 ALA 34 HB3 ALA 34 1.747 4.390 2.503 251 H ASP 35 HN ASP 35 -1.710 6.113 2.144 252 HA ASP 35 HA ASP 35 -1.576 8.473 0.617 253 HB2 ASP 35 HB2 ASP 35 -3.226 6.702 0.201 254 HB3 ASP 35 HB1 ASP 35 -4.012 7.068 1.733 255 H GLU 36 HN GLU 36 -2.991 7.845 3.816 256 HA GLU 36 HA GLU 36 -3.759 10.565 4.209 257 HB2 GLU 36 HB2 GLU 36 -4.387 9.942 6.431 258 HB3 GLU 36 HB1 GLU 36 -4.838 8.625 5.363 259 HG2 GLU 36 HG2 GLU 36 -2.969 7.323 6.080 260 HG3 GLU 36 HG1 GLU 36 -2.344 8.668 7.032 261 H LEU 37 HN LEU 37 -0.812 8.869 4.560 262 HA LEU 37 HA LEU 37 0.368 10.496 6.579 263 HB2 LEU 37 HB2 LEU 37 1.026 8.206 6.220 264 HB3 LEU 37 HB1 LEU 37 1.522 8.579 4.583 265 HG LEU 37 HG LEU 37 3.297 9.982 5.416 266 HD11 LEU 37 HD11 LEU 37 2.313 9.146 8.140 267 HD12 LEU 37 HD12 LEU 37 2.301 10.777 7.464 268 HD13 LEU 37 HD13 LEU 37 3.833 9.983 7.824 269 HD21 LEU 37 HD21 LEU 37 3.734 7.643 5.021 270 HD22 LEU 37 HD22 LEU 37 3.213 7.259 6.663 271 HD23 LEU 37 HD23 LEU 37 4.674 8.217 6.402 272 H GLY 38 HN GLY 38 -0.193 10.860 3.239 273 HA2 GLY 38 HA2 GLY 38 0.314 12.595 1.820 274 HA3 GLY 38 HA1 GLY 38 1.009 13.435 3.196 Start of MODEL 19 1 H1 SER 1 HN SER 1 1.946 10.242 2.677 2 HA SER 1 HA SER 1 4.029 11.863 1.392 3 HB2 SER 1 HB2 SER 1 5.485 9.783 1.826 4 HB3 SER 1 HB1 SER 1 5.082 10.804 3.205 5 HG SER 1 HG SER 1 4.636 8.792 3.888 6 HA PRO 2 HA PRO 2 2.110 9.903 -2.249 7 HB2 PRO 2 HB2 PRO 2 4.103 11.708 -3.521 8 HB3 PRO 2 HB1 PRO 2 2.384 11.501 -3.876 9 HG2 PRO 2 HG2 PRO 2 3.237 13.656 -2.575 10 HG3 PRO 2 HG1 PRO 2 1.719 12.861 -2.118 11 HD2 PRO 2 HD2 PRO 2 4.394 12.746 -0.790 12 HD3 PRO 2 HD1 PRO 2 2.776 12.825 -0.062 13 H GLU 3 HN GLU 3 5.569 10.402 -1.622 14 HA GLU 3 HA GLU 3 6.514 8.613 -3.586 15 HB2 GLU 3 HB2 GLU 3 7.984 10.258 -2.552 16 HB3 GLU 3 HB1 GLU 3 7.801 9.473 -0.991 17 HG2 GLU 3 HG2 GLU 3 8.969 7.531 -1.769 18 HG3 GLU 3 HG1 GLU 3 9.023 8.167 -3.411 19 H GLU 4 HN GLU 4 5.750 8.139 -0.156 20 HA GLU 4 HA GLU 4 6.426 5.367 -0.174 21 HB2 GLU 4 HB2 GLU 4 4.670 6.927 1.734 22 HB3 GLU 4 HB1 GLU 4 5.227 5.281 1.992 23 HG2 GLU 4 HG2 GLU 4 6.905 7.770 1.864 24 HG3 GLU 4 HG1 GLU 4 6.573 6.774 3.279 25 H ARG 5 HN ARG 5 3.526 7.255 -0.701 26 HA ARG 5 HA ARG 5 1.654 5.197 -0.671 27 HB2 ARG 5 HB2 ARG 5 1.173 7.642 -0.615 28 HB3 ARG 5 HB1 ARG 5 1.582 7.718 -2.322 29 HG2 ARG 5 HG2 ARG 5 -0.244 6.165 -2.818 30 HG3 ARG 5 HG1 ARG 5 -0.638 6.129 -1.096 31 HD2 ARG 5 HD2 ARG 5 -2.089 7.681 -2.352 32 HD3 ARG 5 HD1 ARG 5 -1.129 8.501 -1.122 33 HE ARG 5 HE ARG 5 0.100 8.474 -3.715 34 HH11 ARG 5 HH11 ARG 5 -2.204 10.188 -1.675 35 HH12 ARG 5 HH12 ARG 5 -1.975 11.696 -2.495 36 HH21 ARG 5 HH21 ARG 5 0.389 10.466 -4.778 37 HH22 ARG 5 HH22 ARG 5 -0.500 11.859 -4.255 38 H ALA 6 HN ALA 6 3.513 6.590 -3.355 39 HA ALA 6 HA ALA 6 2.374 5.027 -5.384 40 HB1 ALA 6 HB1 ALA 6 5.172 6.152 -5.252 41 HB2 ALA 6 HB2 ALA 6 3.741 7.014 -5.820 42 HB3 ALA 6 HB3 ALA 6 4.336 5.611 -6.707 43 H GLN 7 HN GLN 7 5.151 4.443 -3.282 44 HA GLN 7 HA GLN 7 6.018 2.065 -4.535 45 HB2 GLN 7 HB2 GLN 7 7.377 3.485 -3.025 46 HB3 GLN 7 HB1 GLN 7 6.388 2.952 -1.677 47 HG2 GLN 7 HG2 GLN 7 7.119 0.633 -2.127 48 HG3 GLN 7 HG1 GLN 7 8.189 1.264 -3.378 49 HE21 GLN 7 HE21 GLN 7 10.040 0.568 -2.349 50 HE22 GLN 7 HE22 GLN 7 10.629 1.288 -0.893 51 H LEU 8 HN LEU 8 3.976 2.665 -1.696 52 HA LEU 8 HA LEU 8 3.564 -0.087 -1.143 53 HB2 LEU 8 HB2 LEU 8 2.289 2.424 -0.138 54 HB3 LEU 8 HB1 LEU 8 1.738 0.837 0.370 55 HG LEU 8 HG LEU 8 4.598 1.738 0.678 56 HD11 LEU 8 HD11 LEU 8 3.347 3.262 1.970 57 HD12 LEU 8 HD12 LEU 8 3.985 2.049 3.082 58 HD13 LEU 8 HD13 LEU 8 2.294 1.988 2.580 59 HD21 LEU 8 HD21 LEU 8 2.985 -0.488 1.907 60 HD22 LEU 8 HD22 LEU 8 4.638 -0.070 2.353 61 HD23 LEU 8 HD23 LEU 8 4.287 -0.662 0.728 62 H LEU 9 HN LEU 9 1.650 2.340 -2.896 63 HA LEU 9 HA LEU 9 -0.672 0.790 -3.107 64 HB2 LEU 9 HB2 LEU 9 -0.692 3.173 -3.358 65 HB3 LEU 9 HB1 LEU 9 0.364 3.068 -4.756 66 HG LEU 9 HG LEU 9 -1.369 1.781 -5.879 67 HD11 LEU 9 HD11 LEU 9 -3.683 1.901 -5.042 68 HD12 LEU 9 HD12 LEU 9 -3.079 2.629 -3.554 69 HD13 LEU 9 HD13 LEU 9 -2.627 0.977 -3.973 70 HD21 LEU 9 HD21 LEU 9 -2.085 4.550 -4.984 71 HD22 LEU 9 HD22 LEU 9 -2.789 3.735 -6.383 72 HD23 LEU 9 HD23 LEU 9 -1.064 4.116 -6.354 73 H THR 10 HN THR 10 2.138 1.196 -5.256 74 HA THR 10 HA THR 10 1.097 -0.364 -7.361 75 HB THR 10 HB THR 10 3.555 -0.709 -7.967 76 HG1 THR 10 HG1 THR 10 4.108 1.347 -6.129 77 HG21 THR 10 HG21 THR 10 2.243 1.051 -8.995 78 HG22 THR 10 HG22 THR 10 3.856 1.663 -8.629 79 HG23 THR 10 HG23 THR 10 2.495 2.096 -7.596 80 H ALA 11 HN ALA 11 2.950 -1.168 -4.483 81 HA ALA 11 HA ALA 11 3.367 -3.909 -5.036 82 HB1 ALA 11 HB1 ALA 11 4.608 -2.711 -3.321 83 HB2 ALA 11 HB2 ALA 11 3.784 -4.113 -2.638 84 HB3 ALA 11 HB3 ALA 11 3.127 -2.491 -2.392 85 H ALA 12 HN ALA 12 0.737 -2.155 -3.474 86 HA ALA 12 HA ALA 12 -0.835 -4.361 -2.664 87 HB1 ALA 12 HB1 ALA 12 -1.228 -2.057 -1.918 88 HB2 ALA 12 HB2 ALA 12 -2.674 -2.777 -2.623 89 HB3 ALA 12 HB3 ALA 12 -1.724 -1.618 -3.553 90 H GLU 13 HN GLU 13 -0.719 -2.505 -5.661 91 HA GLU 13 HA GLU 13 -2.785 -3.883 -6.990 92 HB2 GLU 13 HB2 GLU 13 -2.046 -1.718 -7.753 93 HB3 GLU 13 HB1 GLU 13 -0.419 -2.321 -8.029 94 HG2 GLU 13 HG2 GLU 13 -1.135 -3.635 -9.872 95 HG3 GLU 13 HG1 GLU 13 -2.832 -3.325 -9.509 96 H LYS 14 HN LYS 14 0.708 -4.351 -6.855 97 HA LYS 14 HA LYS 14 0.875 -6.427 -8.740 98 HB2 LYS 14 HB2 LYS 14 2.623 -5.676 -6.404 99 HB3 LYS 14 HB1 LYS 14 3.035 -6.984 -7.495 100 HG2 LYS 14 HG2 LYS 14 3.053 -5.391 -9.369 101 HG3 LYS 14 HG1 LYS 14 2.682 -4.087 -8.237 102 HD2 LYS 14 HD2 LYS 14 4.760 -4.556 -7.025 103 HD3 LYS 14 HD1 LYS 14 5.128 -5.852 -8.163 104 HE2 LYS 14 HE2 LYS 14 5.149 -4.200 -9.993 105 HE3 LYS 14 HE1 LYS 14 4.851 -2.922 -8.816 106 HZ1 LYS 14 HZ1 LYS 14 6.955 -3.470 -7.749 107 HZ2 LYS 14 HZ2 LYS 14 7.195 -3.088 -9.376 108 HZ3 LYS 14 HZ3 LYS 14 7.230 -4.700 -8.874 109 H ALA 15 HN ALA 15 0.480 -6.466 -5.226 110 HA ALA 15 HA ALA 15 0.483 -9.274 -4.955 111 HB1 ALA 15 HB1 ALA 15 0.883 -7.778 -3.077 112 HB2 ALA 15 HB2 ALA 15 -0.458 -8.874 -2.740 113 HB3 ALA 15 HB3 ALA 15 -0.777 -7.195 -3.177 114 H ASP 16 HN ASP 16 -2.133 -6.912 -5.364 115 HA ASP 16 HA ASP 16 -4.295 -8.662 -5.012 116 HB2 ASP 16 HB2 ASP 16 -4.493 -6.189 -5.130 117 HB3 ASP 16 HB1 ASP 16 -4.182 -6.272 -6.860 118 H GLU 17 HN GLU 17 -2.499 -7.800 -7.908 119 HA GLU 17 HA GLU 17 -4.020 -9.189 -9.772 120 HB2 GLU 17 HB2 GLU 17 -2.256 -7.479 -10.208 121 HB3 GLU 17 HB1 GLU 17 -1.050 -8.697 -9.823 122 HG2 GLU 17 HG2 GLU 17 -1.987 -10.088 -11.650 123 HG3 GLU 17 HG1 GLU 17 -3.015 -8.715 -12.056 124 H LEU 18 HN LEU 18 -1.442 -10.271 -7.627 125 HA LEU 18 HA LEU 18 -1.319 -12.879 -8.921 126 HB2 LEU 18 HB2 LEU 18 0.733 -11.714 -8.300 127 HB3 LEU 18 HB1 LEU 18 0.240 -11.750 -6.620 128 HG LEU 18 HG LEU 18 0.354 -14.188 -6.631 129 HD11 LEU 18 HD11 LEU 18 -0.162 -14.631 -8.958 130 HD12 LEU 18 HD12 LEU 18 1.397 -15.344 -8.544 131 HD13 LEU 18 HD13 LEU 18 1.332 -13.841 -9.464 132 HD21 LEU 18 HD21 LEU 18 2.282 -12.926 -5.950 133 HD22 LEU 18 HD22 LEU 18 2.806 -12.785 -7.628 134 HD23 LEU 18 HD23 LEU 18 2.795 -14.364 -6.838 135 H GLY 19 HN GLY 19 -2.860 -11.364 -6.293 136 HA2 GLY 19 HA2 GLY 19 -4.640 -12.518 -5.153 137 HA3 GLY 19 HA1 GLY 19 -3.680 -13.991 -5.253 138 H CYS 20 HN CYS 20 -2.230 -14.457 -3.706 139 HA CYS 20 HA CYS 20 -1.409 -14.493 -1.569 140 HB2 CYS 20 HB2 CYS 20 -0.493 -11.736 -2.406 141 HB3 CYS 20 HB1 CYS 20 0.232 -12.733 -1.150 142 HG CYS 20 HG CYS 20 2.057 -13.190 -2.980 143 HA PRO 21 HA PRO 21 -5.120 -12.287 0.142 144 HB2 PRO 21 HB2 PRO 21 -5.255 -14.036 2.309 145 HB3 PRO 21 HB1 PRO 21 -6.150 -14.195 0.797 146 HG2 PRO 21 HG2 PRO 21 -3.614 -15.518 1.647 147 HG3 PRO 21 HG1 PRO 21 -4.968 -16.182 0.715 148 HD2 PRO 21 HD2 PRO 21 -2.693 -15.472 -0.473 149 HD3 PRO 21 HD1 PRO 21 -4.259 -15.178 -1.254 150 H GLU 22 HN GLU 22 -2.389 -13.503 2.084 151 HA GLU 22 HA GLU 22 -2.854 -11.611 4.179 152 HB2 GLU 22 HB2 GLU 22 -0.423 -13.303 3.635 153 HB3 GLU 22 HB1 GLU 22 -0.762 -12.437 5.124 154 HG2 GLU 22 HG2 GLU 22 -2.706 -13.816 5.522 155 HG3 GLU 22 HG1 GLU 22 -2.453 -14.648 3.989 156 H GLU 23 HN GLU 23 -0.573 -11.847 1.504 157 HA GLU 23 HA GLU 23 0.953 -9.563 2.231 158 HB2 GLU 23 HB2 GLU 23 1.668 -11.471 0.708 159 HB3 GLU 23 HB1 GLU 23 0.681 -10.727 -0.540 160 HG2 GLU 23 HG2 GLU 23 2.045 -8.709 -0.423 161 HG3 GLU 23 HG1 GLU 23 3.028 -9.445 0.841 162 H ARG 24 HN ARG 24 -1.722 -10.113 -0.010 163 HA ARG 24 HA ARG 24 -1.790 -7.564 -1.174 164 HB2 ARG 24 HB2 ARG 24 -2.991 -9.654 -1.946 165 HB3 ARG 24 HB1 ARG 24 -4.173 -9.345 -0.682 166 HG2 ARG 24 HG2 ARG 24 -4.508 -7.079 -1.737 167 HG3 ARG 24 HG1 ARG 24 -3.567 -7.683 -3.100 168 HD2 ARG 24 HD2 ARG 24 -5.842 -8.021 -3.652 169 HD3 ARG 24 HD1 ARG 24 -5.190 -9.603 -3.226 170 HE ARG 24 HE ARG 24 -6.234 -9.129 -0.954 171 HH11 ARG 24 HH11 ARG 24 -7.550 -7.823 -3.946 172 HH12 ARG 24 HH12 ARG 24 -9.176 -7.800 -3.350 173 HH21 ARG 24 HH21 ARG 24 -8.380 -9.082 -0.193 174 HH22 ARG 24 HH22 ARG 24 -9.654 -8.512 -1.219 175 H ALA 25 HN ALA 25 -3.456 -8.902 1.640 176 HA ALA 25 HA ALA 25 -5.096 -6.714 2.207 177 HB1 ALA 25 HB1 ALA 25 -3.921 -8.678 4.164 178 HB2 ALA 25 HB2 ALA 25 -5.371 -8.944 3.202 179 HB3 ALA 25 HB3 ALA 25 -5.343 -7.669 4.419 180 H GLN 26 HN GLN 26 -1.798 -7.442 3.282 181 HA GLN 26 HA GLN 26 -1.683 -5.210 5.034 182 HB2 GLN 26 HB2 GLN 26 -0.329 -7.251 5.351 183 HB3 GLN 26 HB1 GLN 26 0.566 -6.864 3.888 184 HG2 GLN 26 HG2 GLN 26 1.791 -6.238 5.899 185 HG3 GLN 26 HG1 GLN 26 1.392 -4.847 4.889 186 HE21 GLN 26 HE21 GLN 26 1.630 -3.445 6.644 187 HE22 GLN 26 HE22 GLN 26 0.442 -3.331 7.895 188 H LEU 27 HN LEU 27 -0.647 -5.838 1.724 189 HA LEU 27 HA LEU 27 0.728 -3.380 1.431 190 HB2 LEU 27 HB2 LEU 27 -0.307 -5.390 -0.518 191 HB3 LEU 27 HB1 LEU 27 0.486 -3.911 -1.032 192 HG LEU 27 HG LEU 27 1.778 -5.905 0.821 193 HD11 LEU 27 HD11 LEU 27 3.027 -6.652 -1.125 194 HD12 LEU 27 HD12 LEU 27 2.045 -5.600 -2.149 195 HD13 LEU 27 HD13 LEU 27 1.299 -6.953 -1.299 196 HD21 LEU 27 HD21 LEU 27 2.932 -3.697 -0.871 197 HD22 LEU 27 HD22 LEU 27 3.812 -4.736 0.250 198 HD23 LEU 27 HD23 LEU 27 2.633 -3.577 0.864 199 H LEU 28 HN LEU 28 -2.579 -4.411 0.727 200 HA LEU 28 HA LEU 28 -3.348 -2.032 -0.581 201 HB2 LEU 28 HB2 LEU 28 -4.848 -4.254 0.711 202 HB3 LEU 28 HB1 LEU 28 -5.693 -2.817 0.166 203 HG LEU 28 HG LEU 28 -3.928 -4.432 -1.659 204 HD11 LEU 28 HD11 LEU 28 -5.723 -5.812 -0.737 205 HD12 LEU 28 HD12 LEU 28 -5.885 -5.513 -2.468 206 HD13 LEU 28 HD13 LEU 28 -6.899 -4.630 -1.318 207 HD21 LEU 28 HD21 LEU 28 -5.126 -3.291 -3.408 208 HD22 LEU 28 HD22 LEU 28 -4.478 -2.086 -2.293 209 HD23 LEU 28 HD23 LEU 28 -6.184 -2.517 -2.233 210 H THR 29 HN THR 29 -3.477 -3.023 2.815 211 HA THR 29 HA THR 29 -4.767 -0.627 3.642 212 HB THR 29 HB THR 29 -3.813 -1.287 5.951 213 HG1 THR 29 HG1 THR 29 -3.406 -3.805 4.722 214 HG21 THR 29 HG21 THR 29 -6.121 -1.725 5.276 215 HG22 THR 29 HG22 THR 29 -5.480 -3.072 6.217 216 HG23 THR 29 HG23 THR 29 -5.611 -3.205 4.463 217 H ALA 30 HN ALA 30 -1.444 -1.633 3.200 218 HA ALA 30 HA ALA 30 -0.167 0.594 4.365 219 HB1 ALA 30 HB1 ALA 30 0.906 -1.560 3.685 220 HB2 ALA 30 HB2 ALA 30 1.768 -0.095 3.231 221 HB3 ALA 30 HB3 ALA 30 0.840 -0.982 2.016 222 H ALA 31 HN ALA 31 -1.520 0.020 1.166 223 HA ALA 31 HA ALA 31 -0.630 2.329 -0.164 224 HB1 ALA 31 HB1 ALA 31 -3.253 0.870 -0.475 225 HB2 ALA 31 HB2 ALA 31 -1.737 0.448 -1.273 226 HB3 ALA 31 HB3 ALA 31 -2.532 1.980 -1.642 227 H GLU 32 HN GLU 32 -3.482 1.731 1.855 228 HA GLU 32 HA GLU 32 -4.556 4.359 1.618 229 HB2 GLU 32 HB2 GLU 32 -5.062 2.199 3.667 230 HB3 GLU 32 HB1 GLU 32 -6.010 3.670 3.505 231 HG2 GLU 32 HG2 GLU 32 -5.717 1.541 1.400 232 HG3 GLU 32 HG1 GLU 32 -7.097 1.735 2.480 233 H LYS 33 HN LYS 33 -2.525 2.719 3.994 234 HA LYS 33 HA LYS 33 -2.514 4.824 5.876 235 HB2 LYS 33 HB2 LYS 33 -0.722 2.451 5.449 236 HB3 LYS 33 HB1 LYS 33 -0.373 3.640 6.696 237 HG2 LYS 33 HG2 LYS 33 -2.934 2.067 6.478 238 HG3 LYS 33 HG1 LYS 33 -1.589 1.679 7.553 239 HD2 LYS 33 HD2 LYS 33 -1.873 3.744 8.749 240 HD3 LYS 33 HD1 LYS 33 -3.080 4.304 7.595 241 HE2 LYS 33 HE2 LYS 33 -4.538 2.429 8.267 242 HE3 LYS 33 HE1 LYS 33 -3.341 1.965 9.476 243 HZ1 LYS 33 HZ1 LYS 33 -5.155 3.320 10.395 244 HZ2 LYS 33 HZ2 LYS 33 -4.709 4.601 9.378 245 HZ3 LYS 33 HZ3 LYS 33 -3.646 4.062 10.576 246 H ALA 34 HN ALA 34 -0.453 4.088 3.142 247 HA ALA 34 HA ALA 34 1.546 5.994 3.660 248 HB1 ALA 34 HB1 ALA 34 0.556 5.058 0.982 249 HB2 ALA 34 HB2 ALA 34 1.688 4.174 1.998 250 HB3 ALA 34 HB3 ALA 34 2.138 5.751 1.343 251 H ASP 35 HN ASP 35 -1.509 6.184 1.911 252 HA ASP 35 HA ASP 35 -1.228 8.888 1.097 253 HB2 ASP 35 HB2 ASP 35 -2.836 7.306 0.061 254 HB3 ASP 35 HB1 ASP 35 -3.764 7.299 1.557 255 H GLU 36 HN GLU 36 -2.612 7.285 3.889 256 HA GLU 36 HA GLU 36 -3.752 9.449 5.218 257 HB2 GLU 36 HB2 GLU 36 -3.991 6.996 5.727 258 HB3 GLU 36 HB1 GLU 36 -2.389 7.048 6.441 259 HG2 GLU 36 HG2 GLU 36 -3.259 8.795 8.009 260 HG3 GLU 36 HG1 GLU 36 -4.861 8.447 7.355 261 H LEU 37 HN LEU 37 -0.435 8.285 5.040 262 HA LEU 37 HA LEU 37 0.588 9.943 7.140 263 HB2 LEU 37 HB2 LEU 37 1.960 8.463 4.926 264 HB3 LEU 37 HB1 LEU 37 2.786 9.289 6.227 265 HG LEU 37 HG LEU 37 0.922 6.946 6.553 266 HD11 LEU 37 HD11 LEU 37 3.001 6.384 5.453 267 HD12 LEU 37 HD12 LEU 37 2.952 5.725 7.094 268 HD13 LEU 37 HD13 LEU 37 3.901 7.174 6.743 269 HD21 LEU 37 HD21 LEU 37 1.747 6.925 8.868 270 HD22 LEU 37 HD22 LEU 37 0.876 8.411 8.497 271 HD23 LEU 37 HD23 LEU 37 2.639 8.415 8.557 272 H GLY 38 HN GLY 38 -0.258 10.458 3.900 273 HA2 GLY 38 HA2 GLY 38 -0.204 12.396 2.662 274 HA3 GLY 38 HA1 GLY 38 0.613 13.181 4.003 Start of MODEL 20 1 H1 SER 1 HN SER 1 1.953 10.620 2.490 2 HA SER 1 HA SER 1 3.862 12.201 0.977 3 HB2 SER 1 HB2 SER 1 4.146 9.484 2.272 4 HB3 SER 1 HB1 SER 1 5.457 10.430 1.567 5 HG SER 1 HG SER 1 4.572 12.113 3.156 6 HA PRO 2 HA PRO 2 2.192 10.254 -2.702 7 HB2 PRO 2 HB2 PRO 2 3.974 11.419 -4.434 8 HB3 PRO 2 HB1 PRO 2 2.505 12.201 -3.843 9 HG2 PRO 2 HG2 PRO 2 5.324 12.505 -2.909 10 HG3 PRO 2 HG1 PRO 2 4.070 13.741 -3.111 11 HD2 PRO 2 HD2 PRO 2 4.731 12.741 -0.703 12 HD3 PRO 2 HD1 PRO 2 3.071 13.235 -1.094 13 H GLU 3 HN GLU 3 5.711 10.349 -2.085 14 HA GLU 3 HA GLU 3 6.378 8.294 -3.916 15 HB2 GLU 3 HB2 GLU 3 8.017 9.888 -2.941 16 HB3 GLU 3 HB1 GLU 3 7.826 9.098 -1.384 17 HG2 GLU 3 HG2 GLU 3 9.843 8.331 -2.401 18 HG3 GLU 3 HG1 GLU 3 8.678 7.009 -2.379 19 H GLU 4 HN GLU 4 5.704 8.283 -0.456 20 HA GLU 4 HA GLU 4 6.044 5.513 -0.065 21 HB2 GLU 4 HB2 GLU 4 4.604 7.661 1.467 22 HB3 GLU 4 HB1 GLU 4 4.507 5.983 1.969 23 HG2 GLU 4 HG2 GLU 4 6.222 7.318 3.172 24 HG3 GLU 4 HG1 GLU 4 6.852 5.884 2.369 25 H ARG 5 HN ARG 5 3.213 7.509 -0.830 26 HA ARG 5 HA ARG 5 1.287 5.506 -0.667 27 HB2 ARG 5 HB2 ARG 5 0.789 7.920 -0.801 28 HB3 ARG 5 HB1 ARG 5 1.351 7.933 -2.467 29 HG2 ARG 5 HG2 ARG 5 -0.435 6.227 -2.958 30 HG3 ARG 5 HG1 ARG 5 -1.035 6.553 -1.332 31 HD2 ARG 5 HD2 ARG 5 -0.641 8.710 -3.393 32 HD3 ARG 5 HD1 ARG 5 -2.153 7.830 -3.217 33 HE ARG 5 HE ARG 5 -2.381 8.777 -1.012 34 HH11 ARG 5 HH11 ARG 5 0.089 10.255 -3.027 35 HH12 ARG 5 HH12 ARG 5 0.036 11.769 -2.197 36 HH21 ARG 5 HH21 ARG 5 -2.467 10.763 0.071 37 HH22 ARG 5 HH22 ARG 5 -1.428 12.067 -0.402 38 H ALA 6 HN ALA 6 3.224 6.661 -3.402 39 HA ALA 6 HA ALA 6 2.031 4.998 -5.327 40 HB1 ALA 6 HB1 ALA 6 3.946 5.554 -6.726 41 HB2 ALA 6 HB2 ALA 6 4.791 6.203 -5.320 42 HB3 ALA 6 HB3 ALA 6 3.322 6.983 -5.903 43 H GLN 7 HN GLN 7 4.929 4.541 -3.313 44 HA GLN 7 HA GLN 7 5.666 2.104 -4.580 45 HB2 GLN 7 HB2 GLN 7 6.455 3.185 -1.875 46 HB3 GLN 7 HB1 GLN 7 7.201 1.804 -2.663 47 HG2 GLN 7 HG2 GLN 7 7.225 4.660 -3.608 48 HG3 GLN 7 HG1 GLN 7 8.582 3.741 -2.960 49 HE21 GLN 7 HE21 GLN 7 8.271 5.096 -5.514 50 HE22 GLN 7 HE22 GLN 7 8.525 3.889 -6.735 51 H LEU 8 HN LEU 8 3.915 2.803 -1.580 52 HA LEU 8 HA LEU 8 3.642 0.066 -0.896 53 HB2 LEU 8 HB2 LEU 8 2.338 2.561 0.115 54 HB3 LEU 8 HB1 LEU 8 1.901 0.973 0.721 55 HG LEU 8 HG LEU 8 4.719 2.052 0.788 56 HD11 LEU 8 HD11 LEU 8 4.247 2.284 3.250 57 HD12 LEU 8 HD12 LEU 8 2.533 2.182 2.831 58 HD13 LEU 8 HD13 LEU 8 3.531 3.488 2.186 59 HD21 LEU 8 HD21 LEU 8 4.592 -0.364 0.859 60 HD22 LEU 8 HD22 LEU 8 3.385 -0.280 2.144 61 HD23 LEU 8 HD23 LEU 8 5.034 0.261 2.449 62 H LEU 9 HN LEU 9 1.571 2.331 -2.672 63 HA LEU 9 HA LEU 9 -0.685 0.655 -2.721 64 HB2 LEU 9 HB2 LEU 9 -0.846 3.025 -3.078 65 HB3 LEU 9 HB1 LEU 9 0.155 2.903 -4.514 66 HG LEU 9 HG LEU 9 -1.552 1.422 -5.461 67 HD11 LEU 9 HD11 LEU 9 -2.712 0.742 -3.457 68 HD12 LEU 9 HD12 LEU 9 -3.842 1.556 -4.541 69 HD13 LEU 9 HD13 LEU 9 -3.190 2.409 -3.139 70 HD21 LEU 9 HD21 LEU 9 -2.331 4.234 -4.791 71 HD22 LEU 9 HD22 LEU 9 -3.065 3.272 -6.076 72 HD23 LEU 9 HD23 LEU 9 -1.356 3.706 -6.160 73 H THR 10 HN THR 10 2.016 1.159 -4.980 74 HA THR 10 HA THR 10 0.990 -0.548 -6.976 75 HB THR 10 HB THR 10 3.406 -0.667 -7.768 76 HG1 THR 10 HG1 THR 10 3.942 1.445 -6.005 77 HG21 THR 10 HG21 THR 10 3.417 1.686 -8.491 78 HG22 THR 10 HG22 THR 10 2.176 2.050 -7.295 79 HG23 THR 10 HG23 THR 10 1.813 0.969 -8.640 80 H ALA 11 HN ALA 11 2.916 -1.136 -4.113 81 HA ALA 11 HA ALA 11 3.596 -3.830 -4.622 82 HB1 ALA 11 HB1 ALA 11 4.607 -2.455 -2.839 83 HB2 ALA 11 HB2 ALA 11 3.994 -3.998 -2.249 84 HB3 ALA 11 HB3 ALA 11 3.079 -2.516 -1.959 85 H ALA 12 HN ALA 12 0.821 -2.311 -3.073 86 HA ALA 12 HA ALA 12 -0.631 -4.617 -2.333 87 HB1 ALA 12 HB1 ALA 12 -1.592 -1.874 -3.124 88 HB2 ALA 12 HB2 ALA 12 -1.153 -2.402 -1.498 89 HB3 ALA 12 HB3 ALA 12 -2.554 -3.102 -2.308 90 H GLU 13 HN GLU 13 -0.649 -2.646 -5.257 91 HA GLU 13 HA GLU 13 -2.698 -4.038 -6.606 92 HB2 GLU 13 HB2 GLU 13 -1.995 -1.765 -7.188 93 HB3 GLU 13 HB1 GLU 13 -0.426 -2.371 -7.694 94 HG2 GLU 13 HG2 GLU 13 -1.567 -3.699 -9.444 95 HG3 GLU 13 HG1 GLU 13 -3.084 -2.935 -8.977 96 H LYS 14 HN LYS 14 0.829 -4.376 -6.613 97 HA LYS 14 HA LYS 14 0.971 -6.263 -8.707 98 HB2 LYS 14 HB2 LYS 14 2.892 -4.928 -7.853 99 HB3 LYS 14 HB1 LYS 14 2.899 -5.932 -6.409 100 HG2 LYS 14 HG2 LYS 14 3.352 -7.899 -7.773 101 HG3 LYS 14 HG1 LYS 14 3.337 -6.897 -9.224 102 HD2 LYS 14 HD2 LYS 14 5.217 -5.589 -8.269 103 HD3 LYS 14 HD1 LYS 14 5.263 -6.723 -6.916 104 HE2 LYS 14 HE2 LYS 14 5.600 -7.471 -9.811 105 HE3 LYS 14 HE1 LYS 14 6.926 -7.243 -8.671 106 HZ1 LYS 14 HZ1 LYS 14 6.277 -9.581 -8.977 107 HZ2 LYS 14 HZ2 LYS 14 4.750 -9.240 -8.336 108 HZ3 LYS 14 HZ3 LYS 14 6.128 -9.069 -7.375 109 H ALA 15 HN ALA 15 0.804 -6.642 -5.187 110 HA ALA 15 HA ALA 15 0.996 -9.458 -5.185 111 HB1 ALA 15 HB1 ALA 15 -0.289 -7.653 -3.143 112 HB2 ALA 15 HB2 ALA 15 1.414 -8.107 -3.191 113 HB3 ALA 15 HB3 ALA 15 0.181 -9.333 -2.892 114 H ASP 16 HN ASP 16 -1.760 -7.243 -5.182 115 HA ASP 16 HA ASP 16 -3.817 -9.133 -4.944 116 HB2 ASP 16 HB2 ASP 16 -4.217 -6.758 -4.688 117 HB3 ASP 16 HB1 ASP 16 -3.794 -6.472 -6.366 118 H GLU 17 HN GLU 17 -2.110 -7.923 -7.741 119 HA GLU 17 HA GLU 17 -3.607 -9.086 -9.774 120 HB2 GLU 17 HB2 GLU 17 -1.877 -7.382 -10.092 121 HB3 GLU 17 HB1 GLU 17 -0.645 -8.541 -9.617 122 HG2 GLU 17 HG2 GLU 17 -1.325 -9.934 -11.558 123 HG3 GLU 17 HG1 GLU 17 -2.384 -8.601 -12.027 124 H LEU 18 HN LEU 18 -1.081 -10.391 -7.712 125 HA LEU 18 HA LEU 18 -1.042 -12.929 -9.147 126 HB2 LEU 18 HB2 LEU 18 1.058 -11.869 -8.433 127 HB3 LEU 18 HB1 LEU 18 0.533 -11.971 -6.766 128 HG LEU 18 HG LEU 18 0.641 -14.372 -6.822 129 HD11 LEU 18 HD11 LEU 18 -0.069 -14.768 -9.109 130 HD12 LEU 18 HD12 LEU 18 1.476 -15.562 -8.805 131 HD13 LEU 18 HD13 LEU 18 1.425 -14.053 -9.716 132 HD21 LEU 18 HD21 LEU 18 3.075 -13.103 -8.028 133 HD22 LEU 18 HD22 LEU 18 3.041 -14.658 -7.193 134 HD23 LEU 18 HD23 LEU 18 2.678 -13.171 -6.311 135 H GLY 19 HN GLY 19 -2.941 -11.518 -6.937 136 HA2 GLY 19 HA2 GLY 19 -4.697 -12.579 -5.797 137 HA3 GLY 19 HA1 GLY 19 -3.754 -14.066 -5.775 138 H CYS 20 HN CYS 20 -2.485 -14.517 -4.092 139 HA CYS 20 HA CYS 20 -1.886 -14.485 -1.868 140 HB2 CYS 20 HB2 CYS 20 -0.668 -11.865 -2.754 141 HB3 CYS 20 HB1 CYS 20 -0.114 -12.891 -1.435 142 HG CYS 20 HG CYS 20 0.095 -15.006 -3.650 143 HA PRO 21 HA PRO 21 -5.432 -11.632 -0.784 144 HB2 PRO 21 HB2 PRO 21 -5.900 -13.854 1.137 145 HB3 PRO 21 HB1 PRO 21 -7.050 -13.005 0.099 146 HG2 PRO 21 HG2 PRO 21 -6.252 -15.467 -0.509 147 HG3 PRO 21 HG1 PRO 21 -6.480 -14.247 -1.775 148 HD2 PRO 21 HD2 PRO 21 -3.948 -15.254 -0.548 149 HD3 PRO 21 HD1 PRO 21 -4.297 -14.845 -2.240 150 H GLU 22 HN GLU 22 -3.395 -13.477 1.503 151 HA GLU 22 HA GLU 22 -3.860 -11.611 3.609 152 HB2 GLU 22 HB2 GLU 22 -1.727 -13.729 3.355 153 HB3 GLU 22 HB1 GLU 22 -2.070 -12.811 4.814 154 HG2 GLU 22 HG2 GLU 22 -3.811 -14.832 3.444 155 HG3 GLU 22 HG1 GLU 22 -3.124 -14.903 5.066 156 H GLU 23 HN GLU 23 -1.326 -12.037 1.216 157 HA GLU 23 HA GLU 23 0.409 -10.083 2.353 158 HB2 GLU 23 HB2 GLU 23 1.143 -11.930 0.826 159 HB3 GLU 23 HB1 GLU 23 0.351 -11.085 -0.495 160 HG2 GLU 23 HG2 GLU 23 1.847 -9.227 -0.286 161 HG3 GLU 23 HG1 GLU 23 2.566 -9.917 1.168 162 H ARG 24 HN ARG 24 -1.976 -10.075 -0.273 163 HA ARG 24 HA ARG 24 -1.505 -7.414 -1.064 164 HB2 ARG 24 HB2 ARG 24 -3.518 -7.556 -2.349 165 HB3 ARG 24 HB1 ARG 24 -2.774 -9.143 -2.404 166 HG2 ARG 24 HG2 ARG 24 -4.342 -9.963 -0.765 167 HG3 ARG 24 HG1 ARG 24 -5.053 -8.358 -0.612 168 HD2 ARG 24 HD2 ARG 24 -5.741 -8.425 -2.946 169 HD3 ARG 24 HD1 ARG 24 -4.993 -10.011 -3.131 170 HE ARG 24 HE ARG 24 -6.834 -10.115 -1.020 171 HH11 ARG 24 HH11 ARG 24 -6.859 -9.679 -4.503 172 HH12 ARG 24 HH12 ARG 24 -8.366 -10.512 -4.710 173 HH21 ARG 24 HH21 ARG 24 -8.829 -11.192 -1.307 174 HH22 ARG 24 HH22 ARG 24 -9.488 -11.362 -2.897 175 H ALA 25 HN ALA 25 -3.571 -8.841 1.396 176 HA ALA 25 HA ALA 25 -5.128 -6.587 1.986 177 HB1 ALA 25 HB1 ALA 25 -5.546 -7.688 4.141 178 HB2 ALA 25 HB2 ALA 25 -4.249 -8.831 3.796 179 HB3 ALA 25 HB3 ALA 25 -5.694 -8.805 2.786 180 H GLN 26 HN GLN 26 -2.036 -7.684 3.320 181 HA GLN 26 HA GLN 26 -1.835 -5.564 5.206 182 HB2 GLN 26 HB2 GLN 26 0.286 -7.397 4.076 183 HB3 GLN 26 HB1 GLN 26 0.522 -6.308 5.436 184 HG2 GLN 26 HG2 GLN 26 -1.142 -7.508 6.726 185 HG3 GLN 26 HG1 GLN 26 -1.473 -8.561 5.353 186 HE21 GLN 26 HE21 GLN 26 -0.568 -9.221 8.040 187 HE22 GLN 26 HE22 GLN 26 0.921 -10.077 7.841 188 H LEU 27 HN LEU 27 -0.608 -6.080 1.947 189 HA LEU 27 HA LEU 27 0.930 -3.721 1.814 190 HB2 LEU 27 HB2 LEU 27 -0.250 -5.518 -0.259 191 HB3 LEU 27 HB1 LEU 27 0.661 -4.081 -0.685 192 HG LEU 27 HG LEU 27 1.789 -6.273 1.048 193 HD11 LEU 27 HD11 LEU 27 2.068 -5.848 -1.905 194 HD12 LEU 27 HD12 LEU 27 1.202 -7.170 -1.119 195 HD13 LEU 27 HD13 LEU 27 2.954 -7.031 -0.941 196 HD21 LEU 27 HD21 LEU 27 3.069 -4.042 -0.521 197 HD22 LEU 27 HD22 LEU 27 3.916 -5.254 0.439 198 HD23 LEU 27 HD23 LEU 27 2.867 -4.078 1.232 199 H LEU 28 HN LEU 28 -2.421 -4.466 0.964 200 HA LEU 28 HA LEU 28 -3.054 -1.981 -0.180 201 HB2 LEU 28 HB2 LEU 28 -4.701 -4.138 1.068 202 HB3 LEU 28 HB1 LEU 28 -5.428 -2.641 0.519 203 HG LEU 28 HG LEU 28 -3.747 -4.299 -1.328 204 HD11 LEU 28 HD11 LEU 28 -5.458 -5.744 -0.446 205 HD12 LEU 28 HD12 LEU 28 -5.767 -5.334 -2.133 206 HD13 LEU 28 HD13 LEU 28 -6.693 -4.548 -0.847 207 HD21 LEU 28 HD21 LEU 28 -5.054 -3.159 -3.035 208 HD22 LEU 28 HD22 LEU 28 -4.272 -1.986 -1.974 209 HD23 LEU 28 HD23 LEU 28 -5.990 -2.337 -1.789 210 H THR 29 HN THR 29 -3.138 -3.141 3.151 211 HA THR 29 HA THR 29 -4.342 -0.865 4.279 212 HB THR 29 HB THR 29 -2.298 -2.730 5.521 213 HG1 THR 29 HG1 THR 29 -4.981 -2.944 4.930 214 HG21 THR 29 HG21 THR 29 -3.212 -1.983 7.665 215 HG22 THR 29 HG22 THR 29 -4.296 -0.873 6.829 216 HG23 THR 29 HG23 THR 29 -2.553 -0.617 6.765 217 H ALA 30 HN ALA 30 -0.975 -1.694 3.581 218 HA ALA 30 HA ALA 30 0.233 0.616 4.663 219 HB1 ALA 30 HB1 ALA 30 2.163 -0.014 3.481 220 HB2 ALA 30 HB2 ALA 30 1.238 -0.953 2.307 221 HB3 ALA 30 HB3 ALA 30 1.376 -1.512 3.976 222 H ALA 31 HN ALA 31 -1.190 -0.078 1.521 223 HA ALA 31 HA ALA 31 -0.459 2.249 0.131 224 HB1 ALA 31 HB1 ALA 31 -3.027 0.685 -0.080 225 HB2 ALA 31 HB2 ALA 31 -1.516 0.276 -0.889 226 HB3 ALA 31 HB3 ALA 31 -2.357 1.774 -1.294 227 H GLU 32 HN GLU 32 -3.204 1.537 2.258 228 HA GLU 32 HA GLU 32 -4.454 4.082 2.018 229 HB2 GLU 32 HB2 GLU 32 -4.700 2.054 4.249 230 HB3 GLU 32 HB1 GLU 32 -5.819 3.363 3.910 231 HG2 GLU 32 HG2 GLU 32 -6.366 2.313 1.756 232 HG3 GLU 32 HG1 GLU 32 -5.270 0.988 2.141 233 H LYS 33 HN LYS 33 -2.193 2.655 4.315 234 HA LYS 33 HA LYS 33 -2.186 4.749 6.209 235 HB2 LYS 33 HB2 LYS 33 0.005 2.777 5.537 236 HB3 LYS 33 HB1 LYS 33 -0.037 3.771 6.978 237 HG2 LYS 33 HG2 LYS 33 -1.893 1.522 6.238 238 HG3 LYS 33 HG1 LYS 33 -0.743 1.577 7.573 239 HD2 LYS 33 HD2 LYS 33 -3.175 3.344 7.287 240 HD3 LYS 33 HD1 LYS 33 -3.073 1.908 8.302 241 HE2 LYS 33 HE2 LYS 33 -1.356 2.928 9.653 242 HE3 LYS 33 HE1 LYS 33 -1.292 4.324 8.578 243 HZ1 LYS 33 HZ1 LYS 33 -2.586 4.801 10.551 244 HZ2 LYS 33 HZ2 LYS 33 -3.632 3.514 10.211 245 HZ3 LYS 33 HZ3 LYS 33 -3.559 4.847 9.167 246 H ALA 34 HN ALA 34 -0.181 4.118 3.389 247 HA ALA 34 HA ALA 34 1.647 6.211 3.696 248 HB1 ALA 34 HB1 ALA 34 1.870 4.331 2.127 249 HB2 ALA 34 HB2 ALA 34 2.128 5.898 1.359 250 HB3 ALA 34 HB3 ALA 34 0.600 5.040 1.135 251 H ASP 35 HN ASP 35 -1.555 6.086 2.299 252 HA ASP 35 HA ASP 35 -1.519 8.658 1.124 253 HB2 ASP 35 HB2 ASP 35 -3.145 6.975 0.441 254 HB3 ASP 35 HB1 ASP 35 -3.857 6.984 2.053 255 H GLU 36 HN GLU 36 -2.469 7.440 4.289 256 HA GLU 36 HA GLU 36 -3.552 9.862 5.278 257 HB2 GLU 36 HB2 GLU 36 -2.266 7.600 6.814 258 HB3 GLU 36 HB1 GLU 36 -3.268 8.866 7.506 259 HG2 GLU 36 HG2 GLU 36 -5.132 8.077 6.066 260 HG3 GLU 36 HG1 GLU 36 -4.109 6.725 5.580 261 H LEU 37 HN LEU 37 -0.323 8.675 4.929 262 HA LEU 37 HA LEU 37 0.891 10.605 6.662 263 HB2 LEU 37 HB2 LEU 37 2.083 8.931 4.470 264 HB3 LEU 37 HB1 LEU 37 2.985 9.860 5.650 265 HG LEU 37 HG LEU 37 1.257 7.452 6.193 266 HD11 LEU 37 HD11 LEU 37 4.203 7.932 6.437 267 HD12 LEU 37 HD12 LEU 37 3.406 6.964 5.197 268 HD13 LEU 37 HD13 LEU 37 3.361 6.450 6.887 269 HD21 LEU 37 HD21 LEU 37 1.031 9.043 8.020 270 HD22 LEU 37 HD22 LEU 37 2.784 9.202 8.121 271 HD23 LEU 37 HD23 LEU 37 2.015 7.666 8.520 272 H GLY 38 HN GLY 38 -0.441 10.674 3.555 273 HA2 GLY 38 HA2 GLY 38 -0.616 12.348 2.004 274 HA3 GLY 38 HA1 GLY 38 0.178 13.412 3.153
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