NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
11250 | 1r7d | 5978 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H SER 1 HT1 SER 1 -22.233 10.831 -3.312 2 2H SER 1 HT2 SER 1 -22.590 9.708 -2.086 3 3H SER 1 HT3 SER 1 -23.495 9.718 -3.524 4 HA SER 1 HA SER 1 -21.402 9.146 -4.756 5 1HB SER 1 HB2 SER 1 -19.673 8.164 -3.081 6 2HB SER 1 HB1 SER 1 -19.771 9.915 -3.222 7 HG SER 1 HG SER 1 -19.792 9.100 -1.031 8 H GLY 2 HN GLY 2 -20.874 6.793 -5.009 9 1HA GLY 2 HA2 GLY 2 -23.099 5.115 -3.975 10 2HA GLY 2 HA1 GLY 2 -22.071 4.719 -5.353 11 H SER 3 HN SER 3 -19.903 3.943 -4.928 12 HA SER 3 HA SER 3 -19.685 2.556 -2.297 13 1HB SER 3 HB2 SER 3 -19.300 1.808 -4.945 14 2HB SER 3 HB1 SER 3 -17.656 2.039 -4.358 15 HG SER 3 HG SER 3 -18.938 -0.080 -4.021 16 H TRP 4 HN TRP 4 -18.558 3.709 -0.775 17 HA TRP 4 HA TRP 4 -16.179 5.311 -1.666 18 1HB TRP 4 HB2 TRP 4 -18.378 6.319 -0.612 19 2HB TRP 4 HB1 TRP 4 -17.685 5.742 0.903 20 HD1 TRP 4 HD1 TRP 4 -17.431 8.487 -1.612 21 HE1 TRP 4 HE1 TRP 4 -15.531 10.103 -0.962 22 HE3 TRP 4 HE3 TRP 4 -15.179 5.766 2.074 23 HZ2 TRP 4 HZ2 TRP 4 -13.346 10.226 0.881 24 HZ3 TRP 4 HZ3 TRP 4 -13.195 6.655 3.261 25 HH2 TRP 4 HH2 TRP 4 -12.275 8.879 2.669 26 H LEU 5 HN LEU 5 -17.448 3.589 1.226 27 HA LEU 5 HA LEU 5 -14.759 3.193 2.312 28 1HB LEU 5 HB2 LEU 5 -15.993 2.072 4.109 29 2HB LEU 5 HB1 LEU 5 -16.829 3.557 3.662 30 HG LEU 5 HG LEU 5 -17.883 1.574 1.959 31 1HD1 LEU 5 HD11 LEU 5 -17.007 -0.198 3.347 32 2HD1 LEU 5 HD12 LEU 5 -18.734 -0.069 3.679 33 3HD1 LEU 5 HD13 LEU 5 -17.565 0.606 4.814 34 1HD2 LEU 5 HD21 LEU 5 -19.005 2.719 4.538 35 2HD2 LEU 5 HD22 LEU 5 -19.947 2.000 3.232 36 3HD2 LEU 5 HD23 LEU 5 -19.073 3.507 2.961 37 H ARG 6 HN ARG 6 -16.629 1.520 -0.029 38 HA ARG 6 HA ARG 6 -15.316 -1.095 0.541 39 1HB ARG 6 HB2 ARG 6 -17.867 -0.335 -0.243 40 2HB ARG 6 HB1 ARG 6 -17.135 -0.860 -1.760 41 1HG ARG 6 HG2 ARG 6 -18.155 -2.795 -0.728 42 2HG ARG 6 HG1 ARG 6 -16.405 -2.971 -0.588 43 1HD ARG 6 HD2 ARG 6 -16.463 -2.187 1.729 44 2HD ARG 6 HD1 ARG 6 -18.205 -1.869 1.603 45 HE ARG 6 HE ARG 6 -17.198 -4.625 1.055 46 1HH1 ARG 6 HH11 ARG 6 -20.117 -4.102 1.168 47 2HH1 ARG 6 HH12 ARG 6 -20.522 -4.546 2.792 48 1HH2 ARG 6 HH21 ARG 6 -17.233 -4.455 3.914 49 2HH2 ARG 6 HH22 ARG 6 -18.882 -4.748 4.354 50 H ASP 7 HN ASP 7 -15.776 1.228 -2.154 51 HA ASP 7 HA ASP 7 -13.966 -0.067 -3.983 52 1HB ASP 7 HB2 ASP 7 -15.822 1.747 -4.300 53 2HB ASP 7 HB1 ASP 7 -14.542 2.894 -3.905 54 H ILE 8 HN ILE 8 -13.524 2.579 -1.614 55 HA ILE 8 HA ILE 8 -10.726 3.020 -2.303 56 HB ILE 8 HB ILE 8 -12.449 3.792 0.081 57 1HG1 ILE 8 HG12 ILE 8 -11.517 5.473 -2.265 58 2HG1 ILE 8 HG11 ILE 8 -13.070 4.641 -2.244 59 1HG2 ILE 8 HG21 ILE 8 -10.610 5.636 0.224 60 2HG2 ILE 8 HG22 ILE 8 -9.623 4.504 -0.701 61 3HG2 ILE 8 HG23 ILE 8 -10.247 4.040 0.882 62 1HD1 ILE 8 HD11 ILE 8 -13.971 6.282 -1.003 63 2HD1 ILE 8 HD12 ILE 8 -12.453 7.170 -1.124 64 3HD1 ILE 8 HD13 ILE 8 -12.727 6.073 0.229 65 H TRP 9 HN TRP 9 -12.407 0.732 -0.269 66 HA TRP 9 HA TRP 9 -10.379 0.170 1.672 67 1HB TRP 9 HB2 TRP 9 -12.940 -0.734 0.943 68 2HB TRP 9 HB1 TRP 9 -11.906 -2.156 0.812 69 HD1 TRP 9 HD1 TRP 9 -12.191 -3.455 2.981 70 HE1 TRP 9 HE1 TRP 9 -12.101 -2.885 5.494 71 HE3 TRP 9 HE3 TRP 9 -11.731 1.627 2.722 72 HZ2 TRP 9 HZ2 TRP 9 -11.868 -0.581 7.172 73 HZ3 TRP 9 HZ3 TRP 9 -11.580 2.982 4.791 74 HH2 TRP 9 HH2 TRP 9 -11.647 1.885 7.014 75 H ASP 10 HN ASP 10 -10.999 -1.295 -1.552 76 HA ASP 10 HA ASP 10 -8.887 -3.228 -1.467 77 1HB ASP 10 HB2 ASP 10 -10.832 -3.046 -3.085 78 2HB ASP 10 HB1 ASP 10 -9.969 -1.728 -3.876 79 H TRP 11 HN TRP 11 -8.950 0.168 -2.575 80 HA TRP 11 HA TRP 11 -6.231 0.254 -3.537 81 1HB TRP 11 HB2 TRP 11 -7.911 1.893 -4.186 82 2HB TRP 11 HB1 TRP 11 -8.173 2.353 -2.504 83 HD1 TRP 11 HD1 TRP 11 -5.446 2.477 -5.222 84 HE1 TRP 11 HE1 TRP 11 -3.870 4.449 -4.697 85 HE3 TRP 11 HE3 TRP 11 -7.374 3.980 -0.740 86 HZ2 TRP 11 HZ2 TRP 11 -3.480 6.407 -2.648 87 HZ3 TRP 11 HZ3 TRP 11 -6.384 5.898 0.476 88 HH2 TRP 11 HH2 TRP 11 -4.441 7.112 -0.471 89 H ILE 12 HN ILE 12 -7.724 1.087 -0.389 90 HA ILE 12 HA ILE 12 -5.389 2.050 0.936 91 HB ILE 12 HB ILE 12 -7.978 0.729 1.763 92 1HG1 ILE 12 HG12 ILE 12 -6.820 3.487 2.286 93 2HG1 ILE 12 HG11 ILE 12 -7.909 3.102 0.954 94 1HG2 ILE 12 HG21 ILE 12 -6.564 -0.017 3.521 95 2HG2 ILE 12 HG22 ILE 12 -7.298 1.462 4.140 96 3HG2 ILE 12 HG23 ILE 12 -5.644 1.488 3.529 97 1HD1 ILE 12 HD11 ILE 12 -8.539 2.776 3.905 98 2HD1 ILE 12 HD12 ILE 12 -9.623 2.360 2.578 99 3HD1 ILE 12 HD13 ILE 12 -9.167 4.042 2.850 100 H CYS 13 HN CYS 13 -6.552 -1.246 0.332 101 HA CYS 13 HA CYS 13 -4.668 -2.589 2.083 102 1HB CYS 13 HB2 CYS 13 -6.912 -3.379 1.076 103 2HB CYS 13 HB1 CYS 13 -5.998 -3.698 -0.398 104 HG CYS 13 HG CYS 13 -4.979 -5.701 0.661 105 H GLU 14 HN GLU 14 -4.689 -1.737 -1.392 106 HA GLU 14 HA GLU 14 -2.239 -3.100 -2.071 107 1HB GLU 14 HB2 GLU 14 -4.257 -1.426 -3.270 108 2HB GLU 14 HB1 GLU 14 -2.662 -0.846 -3.747 109 1HG GLU 14 HG2 GLU 14 -2.103 -2.838 -4.813 110 2HG GLU 14 HG1 GLU 14 -3.219 -3.792 -3.835 111 H VAL 15 HN VAL 15 -2.968 0.180 -0.947 112 HA VAL 15 HA VAL 15 -0.312 1.270 -1.281 113 HB VAL 15 HB VAL 15 -2.648 1.974 0.535 114 1HG1 VAL 15 HG11 VAL 15 -1.520 4.257 0.549 115 2HG1 VAL 15 HG12 VAL 15 -0.088 3.461 -0.104 116 3HG1 VAL 15 HG13 VAL 15 -0.702 3.006 1.486 117 1HG2 VAL 15 HG21 VAL 15 -1.925 3.690 -1.759 118 2HG2 VAL 15 HG22 VAL 15 -3.513 3.141 -1.221 119 3HG2 VAL 15 HG23 VAL 15 -2.501 2.083 -2.204 120 H LEU 16 HN LEU 16 -1.933 -0.506 1.333 121 HA LEU 16 HA LEU 16 0.066 -0.092 3.369 122 1HB LEU 16 HB2 LEU 16 -2.362 -0.910 3.541 123 2HB LEU 16 HB1 LEU 16 -1.760 -2.484 3.021 124 HG LEU 16 HG LEU 16 -0.007 -2.126 4.957 125 1HD1 LEU 16 HD11 LEU 16 -2.340 -0.506 6.006 126 2HD1 LEU 16 HD12 LEU 16 -0.887 0.238 5.337 127 3HD1 LEU 16 HD13 LEU 16 -0.777 -0.773 6.778 128 1HD2 LEU 16 HD21 LEU 16 -1.702 -3.915 4.890 129 2HD2 LEU 16 HD22 LEU 16 -2.924 -2.788 5.478 130 3HD2 LEU 16 HD23 LEU 16 -1.574 -3.245 6.516 131 H SER 17 HN SER 17 -0.448 -2.710 0.974 132 HA SER 17 HA SER 17 1.836 -4.282 1.831 133 1HB SER 17 HB2 SER 17 1.375 -5.433 -0.367 134 2HB SER 17 HB1 SER 17 -0.045 -5.277 0.660 135 HG SER 17 HG SER 17 0.664 -3.855 -1.670 136 H ASP 18 HN ASP 18 1.308 -1.827 -0.705 137 HA ASP 18 HA ASP 18 3.895 -2.076 -1.951 138 1HB ASP 18 HB2 ASP 18 1.685 -0.949 -2.729 139 2HB ASP 18 HB1 ASP 18 2.246 0.446 -1.806 140 H PHE 19 HN PHE 19 2.664 -0.032 0.711 141 HA PHE 19 HA PHE 19 4.920 1.665 1.055 142 1HB PHE 19 HB2 PHE 19 2.500 0.923 2.412 143 2HB PHE 19 HB1 PHE 19 3.810 0.938 3.587 144 HD1 PHE 19 HD1 PHE 19 1.472 2.945 1.817 145 HD2 PHE 19 HD2 PHE 19 5.435 3.004 3.477 146 HE1 PHE 19 HE1 PHE 19 1.422 5.424 1.852 147 HE2 PHE 19 HE2 PHE 19 5.383 5.483 3.511 148 HZ PHE 19 HZ PHE 19 3.377 6.693 2.699 149 H LYS 20 HN LYS 20 4.377 -1.692 2.006 150 HA LYS 20 HA LYS 20 6.762 -1.829 3.716 151 1HB LYS 20 HB2 LYS 20 4.635 -3.107 4.067 152 2HB LYS 20 HB1 LYS 20 4.961 -3.993 2.577 153 1HG LYS 20 HG2 LYS 20 5.993 -5.463 3.987 154 2HG LYS 20 HG1 LYS 20 7.334 -4.325 3.862 155 1HD LYS 20 HD2 LYS 20 7.206 -4.006 6.085 156 2HD LYS 20 HD1 LYS 20 5.617 -3.279 5.848 157 1HE LYS 20 HE2 LYS 20 4.508 -5.159 6.559 158 2HE LYS 20 HE1 LYS 20 5.686 -6.256 5.812 159 1HZ LYS 20 HZ1 LYS 20 6.040 -4.675 8.306 160 2HZ LYS 20 HZ2 LYS 20 7.304 -5.504 7.529 161 3HZ LYS 20 HZ3 LYS 20 5.987 -6.364 8.167 162 H THR 21 HN THR 21 5.880 -2.761 0.382 163 HA THR 21 HA THR 21 8.461 -4.121 -0.052 164 HB THR 21 HB THR 21 7.475 -4.312 -2.396 165 HG1 THR 21 HG1 THR 21 5.179 -3.760 -2.404 166 1HG2 THR 21 HG21 THR 21 7.168 -6.079 -0.728 167 2HG2 THR 21 HG22 THR 21 5.695 -5.884 -1.679 168 3HG2 THR 21 HG23 THR 21 5.786 -5.219 -0.048 169 H TRP 22 HN TRP 22 6.887 -1.101 -1.182 170 HA TRP 22 HA TRP 22 8.885 -0.174 -2.961 171 1HB TRP 22 HB2 TRP 22 6.563 0.758 -2.341 172 2HB TRP 22 HB1 TRP 22 7.366 1.552 -0.991 173 HD1 TRP 22 HD1 TRP 22 7.132 1.600 -4.793 174 HE1 TRP 22 HE1 TRP 22 8.238 3.758 -5.670 175 HE3 TRP 22 HE3 TRP 22 9.175 3.368 -0.461 176 HZ2 TRP 22 HZ2 TRP 22 9.784 5.945 -4.666 177 HZ3 TRP 22 HZ3 TRP 22 10.457 5.488 -0.448 178 HH2 TRP 22 HH2 TRP 22 10.764 6.778 -2.544 179 H LEU 23 HN LEU 23 8.571 0.486 0.539 180 HA LEU 23 HA LEU 23 11.015 1.960 0.831 181 1HB LEU 23 HB2 LEU 23 8.825 1.111 2.388 182 2HB LEU 23 HB1 LEU 23 10.243 0.429 3.182 183 HG LEU 23 HG LEU 23 11.296 2.756 2.980 184 1HD1 LEU 23 HD11 LEU 23 9.579 4.603 2.838 185 2HD1 LEU 23 HD12 LEU 23 8.407 3.395 2.313 186 3HD1 LEU 23 HD13 LEU 23 9.828 3.734 1.325 187 1HD2 LEU 23 HD21 LEU 23 10.119 3.574 4.982 188 2HD2 LEU 23 HD22 LEU 23 10.386 1.834 5.097 189 3HD2 LEU 23 HD23 LEU 23 8.791 2.456 4.671 190 H LYS 24 HN LYS 24 10.320 -1.533 0.975 191 HA LYS 24 HA LYS 24 12.951 -2.278 1.987 192 1HB LYS 24 HB2 LYS 24 10.640 -3.501 2.037 193 2HB LYS 24 HB1 LYS 24 11.080 -4.050 0.421 194 1HG LYS 24 HG2 LYS 24 11.938 -5.763 1.767 195 2HG LYS 24 HG1 LYS 24 13.347 -4.726 1.546 196 1HD LYS 24 HD2 LYS 24 13.182 -5.280 3.900 197 2HD LYS 24 HD1 LYS 24 12.761 -3.579 3.705 198 1HE LYS 24 HE2 LYS 24 10.467 -3.971 4.066 199 2HE LYS 24 HE1 LYS 24 10.603 -5.694 3.663 200 1HZ LYS 24 HZ1 LYS 24 10.489 -5.275 6.087 201 2HZ LYS 24 HZ2 LYS 24 11.944 -4.404 5.984 202 3HZ LYS 24 HZ3 LYS 24 11.915 -6.063 5.618 203 H ALA 25 HN ALA 25 11.402 -2.314 -1.241 204 HA ALA 25 HA ALA 25 13.538 -3.454 -2.730 205 1HB ALA 25 HB1 ALA 25 11.385 -1.429 -3.407 206 2HB ALA 25 HB2 ALA 25 11.310 -3.177 -3.623 207 3HB ALA 25 HB3 ALA 25 12.395 -2.211 -4.623 208 H LYS 26 HN LYS 26 13.059 -0.128 -1.595 209 HA LYS 26 HA LYS 26 14.953 1.216 -3.245 210 1HB LYS 26 HB2 LYS 26 13.223 2.183 -1.683 211 2HB LYS 26 HB1 LYS 26 14.272 1.743 -0.335 212 1HG LYS 26 HG2 LYS 26 16.049 3.171 -1.187 213 2HG LYS 26 HG1 LYS 26 15.109 3.532 -2.635 214 1HD LYS 26 HD2 LYS 26 13.295 4.389 -0.989 215 2HD LYS 26 HD1 LYS 26 14.593 4.405 0.205 216 1HE LYS 26 HE2 LYS 26 14.886 6.545 -0.627 217 2HE LYS 26 HE1 LYS 26 15.849 5.679 -1.840 218 1HZ LYS 26 HZ1 LYS 26 13.871 5.442 -3.206 219 2HZ LYS 26 HZ2 LYS 26 14.163 7.085 -2.886 220 3HZ LYS 26 HZ3 LYS 26 12.937 6.259 -2.048 221 H LEU 27 HN LEU 27 15.404 -0.381 -0.061 222 HA LEU 27 HA LEU 27 18.373 -0.183 -0.478 223 1HB LEU 27 HB2 LEU 27 16.707 0.660 1.603 224 2HB LEU 27 HB1 LEU 27 17.417 -0.836 2.210 225 HG LEU 27 HG LEU 27 19.677 0.092 1.453 226 1HD1 LEU 27 HD11 LEU 27 19.766 2.577 1.261 227 2HD1 LEU 27 HD12 LEU 27 18.003 2.617 1.283 228 3HD1 LEU 27 HD13 LEU 27 18.850 1.834 -0.051 229 1HD2 LEU 27 HD21 LEU 27 19.861 1.566 3.463 230 2HD2 LEU 27 HD22 LEU 27 19.035 0.048 3.812 231 3HD2 LEU 27 HD23 LEU 27 18.104 1.532 3.613 232 H MET 28 HN MET 28 19.188 -2.086 1.362 233 HA MET 28 HA MET 28 19.492 -4.395 1.708 234 1HB MET 28 HB2 MET 28 16.674 -3.917 1.407 235 2HB MET 28 HB1 MET 28 17.070 -5.455 0.640 236 1HG MET 28 HG2 MET 28 17.434 -6.454 2.631 237 2HG MET 28 HG1 MET 28 18.451 -5.126 3.190 238 1HE MET 28 HE1 MET 28 15.651 -7.045 4.457 239 2HE MET 28 HE2 MET 28 15.585 -5.940 5.828 240 3HE MET 28 HE3 MET 28 17.147 -6.467 5.205 241 HA PRO 29 HA PRO 29 20.875 -5.809 -2.224 242 1HB PRO 29 HB2 PRO 29 21.493 -8.401 -1.587 243 2HB PRO 29 HB1 PRO 29 22.476 -7.018 -1.088 244 1HG PRO 29 HG2 PRO 29 20.551 -8.626 0.485 245 2HG PRO 29 HG1 PRO 29 22.051 -7.841 0.994 246 1HD PRO 29 HD2 PRO 29 19.513 -6.865 1.476 247 2HD PRO 29 HD1 PRO 29 20.999 -5.892 1.491 248 H GLN 30 HN GLN 30 19.492 -8.868 -1.062 249 HA GLN 30 HA GLN 30 17.921 -9.165 -3.519 250 1HB GLN 30 HB2 GLN 30 18.199 -10.788 -0.964 251 2HB GLN 30 HB1 GLN 30 17.299 -11.329 -2.380 252 1HG GLN 30 HG2 GLN 30 19.220 -12.132 -3.237 253 2HG GLN 30 HG1 GLN 30 19.822 -10.477 -3.337 254 1HE2 GLN 30 HE21 GLN 30 20.172 -13.500 -1.658 255 2HE2 GLN 30 HE22 GLN 30 21.314 -12.973 -0.519 256 H LEU 31 HN LEU 31 16.077 -7.915 -3.646 257 HA LEU 31 HA LEU 31 13.973 -7.014 -3.100 258 1HB LEU 31 HB2 LEU 31 14.213 -9.546 -1.485 259 2HB LEU 31 HB1 LEU 31 12.794 -8.521 -1.280 260 HG LEU 31 HG LEU 31 13.634 -9.153 -4.074 261 1HD1 LEU 31 HD11 LEU 31 13.796 -11.326 -2.860 262 2HD1 LEU 31 HD12 LEU 31 12.479 -11.305 -4.033 263 3HD1 LEU 31 HD13 LEU 31 12.132 -11.115 -2.314 264 1HD2 LEU 31 HD21 LEU 31 11.663 -7.684 -3.319 265 2HD2 LEU 31 HD22 LEU 31 10.892 -9.182 -2.796 266 3HD2 LEU 31 HD23 LEU 31 11.297 -8.945 -4.496 Start of MODEL 2 1 1H SER 1 HT1 SER 1 -26.779 1.630 -8.713 2 2H SER 1 HT2 SER 1 -26.067 2.768 -9.754 3 3H SER 1 HT3 SER 1 -27.489 3.158 -8.910 4 HA SER 1 HA SER 1 -25.479 4.189 -7.920 5 1HB SER 1 HB2 SER 1 -26.892 2.076 -6.260 6 2HB SER 1 HB1 SER 1 -26.195 3.580 -5.664 7 HG SER 1 HG SER 1 -28.379 3.904 -5.968 8 H GLY 2 HN GLY 2 -23.296 3.811 -7.873 9 1HA GLY 2 HA2 GLY 2 -22.333 1.009 -7.550 10 2HA GLY 2 HA1 GLY 2 -21.387 2.337 -8.221 11 H SER 3 HN SER 3 -20.823 0.490 -5.908 12 HA SER 3 HA SER 3 -20.964 2.147 -3.494 13 1HB SER 3 HB2 SER 3 -20.960 -0.439 -3.787 14 2HB SER 3 HB1 SER 3 -19.213 -0.274 -3.952 15 HG SER 3 HG SER 3 -19.198 0.750 -1.914 16 H TRP 4 HN TRP 4 -19.354 3.498 -2.714 17 HA TRP 4 HA TRP 4 -16.883 3.779 -4.383 18 1HB TRP 4 HB2 TRP 4 -18.748 5.615 -3.828 19 2HB TRP 4 HB1 TRP 4 -17.773 5.808 -2.371 20 HD1 TRP 4 HD1 TRP 4 -16.736 5.197 -6.054 21 HE1 TRP 4 HE1 TRP 4 -15.003 6.987 -6.703 22 HE3 TRP 4 HE3 TRP 4 -16.618 7.920 -1.733 23 HZ2 TRP 4 HZ2 TRP 4 -13.735 9.277 -5.546 24 HZ3 TRP 4 HZ3 TRP 4 -15.140 9.900 -1.536 25 HH2 TRP 4 HH2 TRP 4 -13.700 10.581 -3.436 26 H LEU 5 HN LEU 5 -18.014 3.700 -0.980 27 HA LEU 5 HA LEU 5 -15.537 3.956 0.350 28 1HB LEU 5 HB2 LEU 5 -17.965 3.817 1.218 29 2HB LEU 5 HB1 LEU 5 -17.748 2.068 1.184 30 HG LEU 5 HG LEU 5 -15.516 3.489 2.462 31 1HD1 LEU 5 HD11 LEU 5 -17.430 4.945 3.138 32 2HD1 LEU 5 HD12 LEU 5 -16.719 4.080 4.501 33 3HD1 LEU 5 HD13 LEU 5 -18.239 3.523 3.800 34 1HD2 LEU 5 HD21 LEU 5 -15.788 1.701 4.096 35 2HD2 LEU 5 HD22 LEU 5 -15.928 1.015 2.478 36 3HD2 LEU 5 HD23 LEU 5 -17.376 1.300 3.442 37 H ARG 6 HN ARG 6 -17.131 0.915 -0.728 38 HA ARG 6 HA ARG 6 -15.052 -0.870 0.090 39 1HB ARG 6 HB2 ARG 6 -17.513 -1.211 -0.774 40 2HB ARG 6 HB1 ARG 6 -16.752 -1.287 -2.364 41 1HG ARG 6 HG2 ARG 6 -15.454 -3.186 -1.776 42 2HG ARG 6 HG1 ARG 6 -15.761 -2.964 -0.054 43 1HD ARG 6 HD2 ARG 6 -18.048 -3.478 -1.963 44 2HD ARG 6 HD1 ARG 6 -17.113 -4.819 -1.271 45 HE ARG 6 HE ARG 6 -18.512 -2.756 0.398 46 1HH1 ARG 6 HH21 ARG 6 -19.947 -5.302 0.160 47 2HH1 ARG 6 HH22 ARG 6 -19.345 -6.230 1.493 48 1HH2 ARG 6 HH11 ARG 6 -16.559 -4.210 1.979 49 2HH2 ARG 6 HH12 ARG 6 -17.419 -5.608 2.527 50 H ASP 7 HN ASP 7 -15.545 0.964 -2.921 51 HA ASP 7 HA ASP 7 -13.484 -0.184 -4.516 52 1HB ASP 7 HB2 ASP 7 -15.371 1.456 -5.100 53 2HB ASP 7 HB1 ASP 7 -14.328 2.726 -4.460 54 H ILE 8 HN ILE 8 -13.381 2.464 -2.123 55 HA ILE 8 HA ILE 8 -10.533 3.013 -2.576 56 HB ILE 8 HB ILE 8 -12.490 3.857 -0.407 57 1HG1 ILE 8 HG12 ILE 8 -11.602 5.753 -2.508 58 2HG1 ILE 8 HG11 ILE 8 -12.646 4.448 -3.071 59 1HG2 ILE 8 HG21 ILE 8 -10.422 4.389 0.517 60 2HG2 ILE 8 HG22 ILE 8 -10.745 5.848 -0.420 61 3HG2 ILE 8 HG23 ILE 8 -9.659 4.612 -1.057 62 1HD1 ILE 8 HD11 ILE 8 -13.231 6.589 -1.041 63 2HD1 ILE 8 HD12 ILE 8 -14.112 5.063 -0.996 64 3HD1 ILE 8 HD13 ILE 8 -14.194 6.086 -2.430 65 H TRP 9 HN TRP 9 -12.468 1.081 -0.321 66 HA TRP 9 HA TRP 9 -10.587 0.619 1.745 67 1HB TRP 9 HB2 TRP 9 -13.088 -0.068 1.393 68 2HB TRP 9 HB1 TRP 9 -12.410 -1.521 0.657 69 HD1 TRP 9 HD1 TRP 9 -12.148 -3.415 2.315 70 HE1 TRP 9 HE1 TRP 9 -11.650 -3.618 4.836 71 HE3 TRP 9 HE3 TRP 9 -11.698 1.526 3.529 72 HZ2 TRP 9 HZ2 TRP 9 -11.130 -1.913 7.073 73 HZ3 TRP 9 HZ3 TRP 9 -11.202 2.207 5.859 74 HH2 TRP 9 HH2 TRP 9 -10.916 0.496 7.631 75 H ASP 10 HN ASP 10 -11.075 -1.247 -1.286 76 HA ASP 10 HA ASP 10 -8.996 -3.168 -0.846 77 1HB ASP 10 HB2 ASP 10 -10.899 -3.129 -2.565 78 2HB ASP 10 HB1 ASP 10 -9.891 -2.032 -3.511 79 H TRP 11 HN TRP 11 -8.968 0.050 -2.390 80 HA TRP 11 HA TRP 11 -6.246 0.005 -3.311 81 1HB TRP 11 HB2 TRP 11 -7.875 1.613 -4.117 82 2HB TRP 11 HB1 TRP 11 -8.163 2.212 -2.485 83 HD1 TRP 11 HD1 TRP 11 -5.505 2.208 -5.248 84 HE1 TRP 11 HE1 TRP 11 -3.881 4.166 -4.826 85 HE3 TRP 11 HE3 TRP 11 -7.218 3.818 -0.715 86 HZ2 TRP 11 HZ2 TRP 11 -3.375 6.152 -2.830 87 HZ3 TRP 11 HZ3 TRP 11 -6.149 5.740 0.424 88 HH2 TRP 11 HH2 TRP 11 -4.231 6.908 -0.627 89 H ILE 12 HN ILE 12 -7.720 1.065 -0.228 90 HA ILE 12 HA ILE 12 -5.370 2.135 1.001 91 HB ILE 12 HB ILE 12 -7.902 0.812 2.023 92 1HG1 ILE 12 HG12 ILE 12 -6.973 3.696 2.171 93 2HG1 ILE 12 HG11 ILE 12 -7.957 3.066 0.850 94 1HG2 ILE 12 HG21 ILE 12 -7.155 2.051 4.217 95 2HG2 ILE 12 HG22 ILE 12 -5.535 1.885 3.540 96 3HG2 ILE 12 HG23 ILE 12 -6.507 0.448 3.866 97 1HD1 ILE 12 HD11 ILE 12 -9.664 2.337 2.524 98 2HD1 ILE 12 HD12 ILE 12 -9.420 4.083 2.514 99 3HD1 ILE 12 HD13 ILE 12 -8.702 3.100 3.790 100 H CYS 13 HN CYS 13 -6.632 -1.188 0.789 101 HA CYS 13 HA CYS 13 -4.674 -2.393 2.551 102 1HB CYS 13 HB2 CYS 13 -6.987 -3.223 1.739 103 2HB CYS 13 HB1 CYS 13 -6.151 -3.722 0.269 104 HG CYS 13 HG CYS 13 -5.028 -5.580 1.508 105 H GLU 14 HN GLU 14 -4.819 -1.784 -0.958 106 HA GLU 14 HA GLU 14 -2.489 -3.334 -1.661 107 1HB GLU 14 HB2 GLU 14 -4.501 -1.744 -2.894 108 2HB GLU 14 HB1 GLU 14 -2.947 -1.093 -3.409 109 1HG GLU 14 HG2 GLU 14 -2.305 -3.070 -4.452 110 2HG GLU 14 HG1 GLU 14 -3.345 -4.064 -3.432 111 H VAL 15 HN VAL 15 -2.977 0.117 -0.924 112 HA VAL 15 HA VAL 15 -0.273 0.974 -1.373 113 HB VAL 15 HB VAL 15 -2.464 2.007 0.465 114 1HG1 VAL 15 HG11 VAL 15 0.270 2.990 -0.186 115 2HG1 VAL 15 HG12 VAL 15 -0.695 3.233 1.269 116 3HG1 VAL 15 HG13 VAL 15 -1.016 4.196 -0.173 117 1HG2 VAL 15 HG21 VAL 15 -1.998 3.632 -1.840 118 2HG2 VAL 15 HG22 VAL 15 -3.446 2.707 -1.440 119 3HG2 VAL 15 HG23 VAL 15 -2.158 1.962 -2.388 120 H LEU 16 HN LEU 16 -1.914 -0.352 1.505 121 HA LEU 16 HA LEU 16 0.178 0.084 3.412 122 1HB LEU 16 HB2 LEU 16 -2.191 -0.591 3.870 123 2HB LEU 16 HB1 LEU 16 -1.837 -2.184 3.202 124 HG LEU 16 HG LEU 16 0.044 -1.248 5.292 125 1HD1 LEU 16 HD11 LEU 16 -2.185 -0.445 6.123 126 2HD1 LEU 16 HD12 LEU 16 -1.468 -1.696 7.138 127 3HD1 LEU 16 HD13 LEU 16 -2.771 -2.105 6.024 128 1HD2 LEU 16 HD21 LEU 16 0.347 -3.466 4.535 129 2HD2 LEU 16 HD22 LEU 16 -1.386 -3.792 4.520 130 3HD2 LEU 16 HD23 LEU 16 -0.527 -3.666 6.054 131 H SER 17 HN SER 17 -0.563 -2.770 1.369 132 HA SER 17 HA SER 17 1.745 -4.313 2.140 133 1HB SER 17 HB2 SER 17 -0.108 -4.278 -0.257 134 2HB SER 17 HB1 SER 17 1.157 -5.487 -0.062 135 HG SER 17 HG SER 17 -1.208 -5.095 1.368 136 H ASP 18 HN ASP 18 1.123 -1.954 -0.451 137 HA ASP 18 HA ASP 18 3.604 -2.281 -1.868 138 1HB ASP 18 HB2 ASP 18 1.617 -1.156 -2.783 139 2HB ASP 18 HB1 ASP 18 1.726 0.086 -1.535 140 H PHE 19 HN PHE 19 2.610 -0.141 0.823 141 HA PHE 19 HA PHE 19 4.873 1.512 1.053 142 1HB PHE 19 HB2 PHE 19 2.582 0.877 2.517 143 2HB PHE 19 HB1 PHE 19 3.899 0.473 3.614 144 HD1 PHE 19 HD1 PHE 19 5.896 2.275 3.611 145 HD2 PHE 19 HD2 PHE 19 1.816 3.079 2.534 146 HE1 PHE 19 HE1 PHE 19 6.244 4.682 4.092 147 HE2 PHE 19 HE2 PHE 19 2.165 5.488 3.015 148 HZ PHE 19 HZ PHE 19 4.379 6.289 3.793 149 H LYS 20 HN LYS 20 4.397 -1.776 2.375 150 HA LYS 20 HA LYS 20 6.951 -2.007 3.675 151 1HB LYS 20 HB2 LYS 20 4.935 -3.436 4.045 152 2HB LYS 20 HB1 LYS 20 5.159 -4.129 2.439 153 1HG LYS 20 HG2 LYS 20 7.629 -4.230 3.969 154 2HG LYS 20 HG1 LYS 20 6.318 -5.038 4.829 155 1HD LYS 20 HD2 LYS 20 6.148 -5.752 2.059 156 2HD LYS 20 HD1 LYS 20 7.808 -6.006 2.596 157 1HE LYS 20 HE2 LYS 20 5.645 -6.943 4.434 158 2HE LYS 20 HE1 LYS 20 5.921 -7.886 2.957 159 1HZ LYS 20 HZ1 LYS 20 8.061 -7.025 4.837 160 2HZ LYS 20 HZ2 LYS 20 8.254 -8.013 3.466 161 3HZ LYS 20 HZ3 LYS 20 7.379 -8.578 4.808 162 H THR 21 HN THR 21 5.840 -2.875 0.387 163 HA THR 21 HA THR 21 8.399 -3.986 -0.451 164 HB THR 21 HB THR 21 6.078 -2.920 -2.097 165 HG1 THR 21 HG1 THR 21 4.991 -4.523 -1.329 166 1HG2 THR 21 HG21 THR 21 8.563 -4.232 -2.746 167 2HG2 THR 21 HG22 THR 21 7.310 -3.637 -3.834 168 3HG2 THR 21 HG23 THR 21 7.209 -5.274 -3.183 169 H TRP 22 HN TRP 22 6.803 -0.817 -0.739 170 HA TRP 22 HA TRP 22 8.521 0.480 -2.574 171 1HB TRP 22 HB2 TRP 22 6.345 1.182 -1.259 172 2HB TRP 22 HB1 TRP 22 7.489 1.828 -0.087 173 HD1 TRP 22 HD1 TRP 22 5.908 2.568 -3.383 174 HE1 TRP 22 HE1 TRP 22 6.886 4.745 -4.360 175 HE3 TRP 22 HE3 TRP 22 9.856 3.261 -0.218 176 HZ2 TRP 22 HZ2 TRP 22 9.058 6.542 -3.864 177 HZ3 TRP 22 HZ3 TRP 22 11.361 5.210 -0.491 178 HH2 TRP 22 HH2 TRP 22 10.967 6.851 -2.308 179 H LEU 23 HN LEU 23 8.790 0.300 0.987 180 HA LEU 23 HA LEU 23 11.338 1.657 1.146 181 1HB LEU 23 HB2 LEU 23 9.467 0.160 2.884 182 2HB LEU 23 HB1 LEU 23 11.150 0.115 3.408 183 HG LEU 23 HG LEU 23 11.014 2.723 2.864 184 1HD1 LEU 23 HD11 LEU 23 8.168 1.975 3.608 185 2HD1 LEU 23 HD12 LEU 23 8.686 2.606 2.044 186 3HD1 LEU 23 HD13 LEU 23 8.800 3.617 3.485 187 1HD2 LEU 23 HD21 LEU 23 11.523 1.603 5.060 188 2HD2 LEU 23 HD22 LEU 23 9.788 1.550 5.380 189 3HD2 LEU 23 HD23 LEU 23 10.609 3.104 5.227 190 H LYS 24 HN LYS 24 10.405 -1.780 0.906 191 HA LYS 24 HA LYS 24 13.023 -2.898 1.334 192 1HB LYS 24 HB2 LYS 24 10.746 -4.030 1.384 193 2HB LYS 24 HB1 LYS 24 10.758 -3.969 -0.379 194 1HG LYS 24 HG2 LYS 24 12.228 -5.686 -0.538 195 2HG LYS 24 HG1 LYS 24 13.241 -5.052 0.759 196 1HD LYS 24 HD2 LYS 24 11.904 -6.051 2.445 197 2HD LYS 24 HD1 LYS 24 10.573 -6.349 1.328 198 1HE LYS 24 HE2 LYS 24 13.185 -7.606 0.623 199 2HE LYS 24 HE1 LYS 24 12.316 -8.293 2.011 200 1HZ LYS 24 HZ1 LYS 24 11.565 -9.289 -0.074 201 2HZ LYS 24 HZ2 LYS 24 11.139 -7.756 -0.670 202 3HZ LYS 24 HZ3 LYS 24 10.313 -8.412 0.662 203 H ALA 25 HN ALA 25 11.273 -1.913 -1.626 204 HA ALA 25 HA ALA 25 13.435 -2.675 -3.433 205 1HB ALA 25 HB1 ALA 25 11.198 -0.714 -3.965 206 2HB ALA 25 HB2 ALA 25 10.887 -2.445 -3.833 207 3HB ALA 25 HB3 ALA 25 11.959 -1.835 -5.094 208 H LYS 26 HN LYS 26 12.994 -0.003 -1.320 209 HA LYS 26 HA LYS 26 14.620 1.835 -3.004 210 1HB LYS 26 HB2 LYS 26 12.462 2.493 -1.833 211 2HB LYS 26 HB1 LYS 26 13.315 2.286 -0.303 212 1HG LYS 26 HG2 LYS 26 13.438 4.625 -0.897 213 2HG LYS 26 HG1 LYS 26 15.040 3.925 -1.135 214 1HD LYS 26 HD2 LYS 26 14.930 4.091 -3.425 215 2HD LYS 26 HD1 LYS 26 13.183 3.851 -3.464 216 1HE LYS 26 HE2 LYS 26 13.041 6.193 -2.337 217 2HE LYS 26 HE1 LYS 26 14.716 6.389 -2.886 218 1HZ LYS 26 HZ1 LYS 26 13.996 5.719 -5.121 219 2HZ LYS 26 HZ2 LYS 26 13.209 7.134 -4.606 220 3HZ LYS 26 HZ3 LYS 26 12.388 5.647 -4.583 221 H LEU 27 HN LEU 27 14.599 0.578 0.370 222 HA LEU 27 HA LEU 27 17.591 0.859 0.374 223 1HB LEU 27 HB2 LEU 27 15.865 2.358 1.804 224 2HB LEU 27 HB1 LEU 27 16.008 0.989 2.902 225 HG LEU 27 HG LEU 27 17.671 2.806 3.367 226 1HD1 LEU 27 HD11 LEU 27 19.455 1.330 3.807 227 2HD1 LEU 27 HD12 LEU 27 19.126 0.361 2.372 228 3HD1 LEU 27 HD13 LEU 27 18.043 0.274 3.761 229 1HD2 LEU 27 HD21 LEU 27 19.247 1.984 0.970 230 2HD2 LEU 27 HD22 LEU 27 19.202 3.534 1.808 231 3HD2 LEU 27 HD23 LEU 27 17.900 3.091 0.705 232 H MET 28 HN MET 28 18.666 -1.012 0.839 233 HA MET 28 HA MET 28 17.534 -3.067 2.589 234 1HB MET 28 HB2 MET 28 16.303 -3.640 0.633 235 2HB MET 28 HB1 MET 28 17.697 -3.401 -0.414 236 1HG MET 28 HG2 MET 28 18.637 -5.440 0.139 237 2HG MET 28 HG1 MET 28 17.932 -5.443 1.755 238 1HE MET 28 HE1 MET 28 16.743 -8.204 -1.240 239 2HE MET 28 HE2 MET 28 18.130 -7.873 -0.205 240 3HE MET 28 HE3 MET 28 17.869 -6.903 -1.652 241 HA PRO 29 HA PRO 29 21.905 -4.488 1.336 242 1HB PRO 29 HB2 PRO 29 23.206 -3.268 -0.735 243 2HB PRO 29 HB1 PRO 29 22.144 -4.669 -0.953 244 1HG PRO 29 HG2 PRO 29 21.603 -1.790 -1.450 245 2HG PRO 29 HG1 PRO 29 21.078 -3.212 -2.365 246 1HD PRO 29 HD2 PRO 29 19.476 -1.838 -0.626 247 2HD PRO 29 HD1 PRO 29 19.260 -3.553 -1.036 248 H GLN 30 HN GLN 30 24.274 -3.344 1.206 249 HA GLN 30 HA GLN 30 25.743 -1.819 2.246 250 1HB GLN 30 HB2 GLN 30 23.503 -0.220 1.065 251 2HB GLN 30 HB1 GLN 30 24.644 0.621 2.111 252 1HG GLN 30 HG2 GLN 30 25.749 0.844 0.095 253 2HG GLN 30 HG1 GLN 30 26.426 -0.696 0.625 254 1HE2 GLN 30 HE21 GLN 30 24.140 0.796 -1.642 255 2HE2 GLN 30 HE22 GLN 30 23.893 -0.596 -2.580 256 H LEU 31 HN LEU 31 25.378 0.328 3.927 257 HA LEU 31 HA LEU 31 23.930 -0.900 6.245 258 1HB LEU 31 HB2 LEU 31 26.339 0.877 5.883 259 2HB LEU 31 HB1 LEU 31 25.514 0.812 7.440 260 HG LEU 31 HG LEU 31 26.109 -1.806 6.163 261 1HD1 LEU 31 HD11 LEU 31 28.260 -0.054 7.394 262 2HD1 LEU 31 HD12 LEU 31 28.187 -0.574 5.711 263 3HD1 LEU 31 HD13 LEU 31 28.447 -1.761 6.989 264 1HD2 LEU 31 HD21 LEU 31 26.518 -2.433 8.485 265 2HD2 LEU 31 HD22 LEU 31 25.016 -1.512 8.400 266 3HD2 LEU 31 HD23 LEU 31 26.493 -0.740 8.979 Start of MODEL 3 1 1H SER 1 HT1 SER 1 -17.005 5.899 -10.156 2 2H SER 1 HT2 SER 1 -15.383 5.393 -10.137 3 3H SER 1 HT3 SER 1 -16.066 6.118 -8.760 4 HA SER 1 HA SER 1 -16.699 3.436 -9.882 5 1HB SER 1 HB2 SER 1 -15.915 2.843 -7.541 6 2HB SER 1 HB1 SER 1 -14.672 3.550 -8.569 7 HG SER 1 HG SER 1 -15.300 4.382 -6.239 8 H GLY 2 HN GLY 2 -18.311 2.265 -8.488 9 1HA GLY 2 HA2 GLY 2 -20.658 3.904 -7.988 10 2HA GLY 2 HA1 GLY 2 -20.524 2.171 -7.676 11 H SER 3 HN SER 3 -18.700 1.811 -5.826 12 HA SER 3 HA SER 3 -19.793 3.116 -3.431 13 1HB SER 3 HB2 SER 3 -19.210 0.697 -3.584 14 2HB SER 3 HB1 SER 3 -17.522 1.136 -3.826 15 HG SER 3 HG SER 3 -19.072 1.158 -1.536 16 H TRP 4 HN TRP 4 -18.476 4.343 -1.928 17 HA TRP 4 HA TRP 4 -16.151 5.720 -3.229 18 1HB TRP 4 HB2 TRP 4 -18.496 6.746 -2.300 19 2HB TRP 4 HB1 TRP 4 -17.497 6.884 -0.852 20 HD1 TRP 4 HD1 TRP 4 -17.961 8.298 -4.316 21 HE1 TRP 4 HE1 TRP 4 -16.327 10.259 -4.669 22 HE3 TRP 4 HE3 TRP 4 -15.063 7.794 -0.143 23 HZ2 TRP 4 HZ2 TRP 4 -14.089 11.460 -3.353 24 HZ3 TRP 4 HZ3 TRP 4 -13.190 9.359 0.284 25 HH2 TRP 4 HH2 TRP 4 -12.698 11.189 -1.315 26 H LEU 5 HN LEU 5 -17.312 4.364 -0.125 27 HA LEU 5 HA LEU 5 -14.692 4.731 1.162 28 1HB LEU 5 HB2 LEU 5 -17.423 3.724 1.860 29 2HB LEU 5 HB1 LEU 5 -16.077 3.194 2.867 30 HG LEU 5 HG LEU 5 -16.361 6.107 2.179 31 1HD1 LEU 5 HD11 LEU 5 -17.722 4.749 4.524 32 2HD1 LEU 5 HD12 LEU 5 -18.565 5.280 3.069 33 3HD1 LEU 5 HD13 LEU 5 -17.777 6.463 4.114 34 1HD2 LEU 5 HD21 LEU 5 -15.254 6.320 4.401 35 2HD2 LEU 5 HD22 LEU 5 -14.310 5.335 3.283 36 3HD2 LEU 5 HD23 LEU 5 -15.261 4.563 4.551 37 H ARG 6 HN ARG 6 -16.701 1.873 0.291 38 HA ARG 6 HA ARG 6 -14.738 -0.113 0.883 39 1HB ARG 6 HB2 ARG 6 -17.284 -0.240 0.357 40 2HB ARG 6 HB1 ARG 6 -16.781 -0.312 -1.332 41 1HG ARG 6 HG2 ARG 6 -15.418 -2.290 -0.879 42 2HG ARG 6 HG1 ARG 6 -15.809 -2.195 0.839 43 1HD ARG 6 HD2 ARG 6 -17.640 -3.471 0.443 44 2HD ARG 6 HD1 ARG 6 -18.289 -2.168 -0.572 45 HE ARG 6 HE ARG 6 -16.299 -4.065 -1.739 46 1HH1 ARG 6 HH11 ARG 6 -17.655 -2.019 -3.442 47 2HH1 ARG 6 HH12 ARG 6 -18.944 -2.928 -4.158 48 1HH2 ARG 6 HH21 ARG 6 -18.734 -5.530 -1.861 49 2HH2 ARG 6 HH22 ARG 6 -19.556 -4.927 -3.259 50 H ASP 7 HN ASP 7 -15.341 1.762 -2.085 51 HA ASP 7 HA ASP 7 -13.580 0.320 -3.831 52 1HB ASP 7 HB2 ASP 7 -15.334 1.939 -4.513 53 2HB ASP 7 HB1 ASP 7 -14.394 3.248 -3.796 54 H ILE 8 HN ILE 8 -13.008 3.142 -1.695 55 HA ILE 8 HA ILE 8 -10.192 3.351 -2.488 56 HB ILE 8 HB ILE 8 -11.969 4.620 -0.383 57 1HG1 ILE 8 HG12 ILE 8 -10.532 5.861 -2.745 58 2HG1 ILE 8 HG11 ILE 8 -12.154 5.184 -2.874 59 1HG2 ILE 8 HG21 ILE 8 -9.003 4.709 -0.705 60 2HG2 ILE 8 HG22 ILE 8 -9.983 4.908 0.747 61 3HG2 ILE 8 HG23 ILE 8 -9.816 6.242 -0.394 62 1HD1 ILE 8 HD11 ILE 8 -12.692 6.701 -0.823 63 2HD1 ILE 8 HD12 ILE 8 -12.575 7.447 -2.417 64 3HD1 ILE 8 HD13 ILE 8 -11.227 7.567 -1.287 65 H TRP 9 HN TRP 9 -12.023 1.960 0.233 66 HA TRP 9 HA TRP 9 -9.907 1.399 2.030 67 1HB TRP 9 HB2 TRP 9 -12.504 1.115 2.157 68 2HB TRP 9 HB1 TRP 9 -12.193 -0.498 1.517 69 HD1 TRP 9 HD1 TRP 9 -11.926 -2.235 3.338 70 HE1 TRP 9 HE1 TRP 9 -11.040 -2.263 5.759 71 HE3 TRP 9 HE3 TRP 9 -10.557 2.660 3.834 72 HZ2 TRP 9 HZ2 TRP 9 -9.902 -0.449 7.656 73 HZ3 TRP 9 HZ3 TRP 9 -9.576 3.482 5.956 74 HH2 TRP 9 HH2 TRP 9 -9.247 1.936 7.866 75 H ASP 10 HN ASP 10 -11.224 -0.724 -0.556 76 HA ASP 10 HA ASP 10 -9.411 -2.894 -0.215 77 1HB ASP 10 HB2 ASP 10 -11.540 -2.191 -1.858 78 2HB ASP 10 HB1 ASP 10 -10.190 -2.284 -2.988 79 H TRP 11 HN TRP 11 -9.169 0.011 -2.298 80 HA TRP 11 HA TRP 11 -6.658 -0.605 -3.519 81 1HB TRP 11 HB2 TRP 11 -8.327 1.160 -4.177 82 2HB TRP 11 HB1 TRP 11 -7.820 2.101 -2.774 83 HD1 TRP 11 HD1 TRP 11 -6.427 0.685 -6.068 84 HE1 TRP 11 HE1 TRP 11 -4.399 2.112 -6.774 85 HE3 TRP 11 HE3 TRP 11 -6.043 3.740 -1.997 86 HZ2 TRP 11 HZ2 TRP 11 -2.822 4.267 -5.747 87 HZ3 TRP 11 HZ3 TRP 11 -4.270 5.470 -1.885 88 HH2 TRP 11 HH2 TRP 11 -2.661 5.736 -3.753 89 H ILE 12 HN ILE 12 -7.431 1.079 -0.454 90 HA ILE 12 HA ILE 12 -4.790 1.938 0.219 91 HB ILE 12 HB ILE 12 -7.225 1.111 1.832 92 1HG1 ILE 12 HG12 ILE 12 -6.044 3.872 1.594 93 2HG1 ILE 12 HG11 ILE 12 -7.051 3.233 0.296 94 1HG2 ILE 12 HG21 ILE 12 -4.521 2.069 2.749 95 2HG2 ILE 12 HG22 ILE 12 -5.541 0.805 3.436 96 3HG2 ILE 12 HG23 ILE 12 -5.967 2.501 3.662 97 1HD1 ILE 12 HD11 ILE 12 -7.951 3.188 3.179 98 2HD1 ILE 12 HD12 ILE 12 -8.934 2.996 1.728 99 3HD1 ILE 12 HD13 ILE 12 -8.254 4.573 2.129 100 H CYS 13 HN CYS 13 -6.494 -1.141 0.834 101 HA CYS 13 HA CYS 13 -4.386 -2.414 2.336 102 1HB CYS 13 HB2 CYS 13 -6.847 -3.042 2.144 103 2HB CYS 13 HB1 CYS 13 -6.483 -3.680 0.541 104 HG CYS 13 HG CYS 13 -4.989 -5.495 1.607 105 H GLU 14 HN GLU 14 -5.206 -2.311 -1.142 106 HA GLU 14 HA GLU 14 -3.244 -4.155 -2.091 107 1HB GLU 14 HB2 GLU 14 -4.860 -1.863 -3.143 108 2HB GLU 14 HB1 GLU 14 -3.555 -2.479 -4.149 109 1HG GLU 14 HG2 GLU 14 -4.629 -4.447 -4.575 110 2HG GLU 14 HG1 GLU 14 -5.284 -4.553 -2.941 111 H VAL 15 HN VAL 15 -3.145 -0.619 -1.681 112 HA VAL 15 HA VAL 15 -0.405 -0.267 -2.530 113 HB VAL 15 HB VAL 15 -2.240 1.362 -0.733 114 1HG1 VAL 15 HG11 VAL 15 0.502 1.863 -1.846 115 2HG1 VAL 15 HG12 VAL 15 -0.162 2.300 -0.272 116 3HG1 VAL 15 HG13 VAL 15 -0.620 3.217 -1.707 117 1HG2 VAL 15 HG21 VAL 15 -2.436 0.786 -3.456 118 2HG2 VAL 15 HG22 VAL 15 -1.648 2.364 -3.418 119 3HG2 VAL 15 HG23 VAL 15 -3.209 2.138 -2.627 120 H LEU 16 HN LEU 16 -1.952 -0.907 0.610 121 HA LEU 16 HA LEU 16 0.266 -0.471 2.336 122 1HB LEU 16 HB2 LEU 16 -2.372 -1.463 2.442 123 2HB LEU 16 HB1 LEU 16 -1.369 -2.764 3.077 124 HG LEU 16 HG LEU 16 -2.015 -1.313 4.915 125 1HD1 LEU 16 HD11 LEU 16 0.851 -0.649 4.196 126 2HD1 LEU 16 HD12 LEU 16 0.345 -2.229 4.796 127 3HD1 LEU 16 HD13 LEU 16 0.155 -0.799 5.810 128 1HD2 LEU 16 HD21 LEU 16 -1.341 1.087 4.908 129 2HD2 LEU 16 HD22 LEU 16 -2.508 0.718 3.639 130 3HD2 LEU 16 HD23 LEU 16 -0.801 0.909 3.239 131 H SER 17 HN SER 17 -0.688 -3.353 0.455 132 HA SER 17 HA SER 17 1.288 -5.175 1.423 133 1HB SER 17 HB2 SER 17 -0.788 -5.489 -0.106 134 2HB SER 17 HB1 SER 17 0.278 -5.017 -1.426 135 HG SER 17 HG SER 17 1.618 -6.748 -0.898 136 H ASP 18 HN ASP 18 1.357 -2.851 -1.295 137 HA ASP 18 HA ASP 18 4.105 -3.474 -2.049 138 1HB ASP 18 HB2 ASP 18 2.481 -2.608 -3.656 139 2HB ASP 18 HB1 ASP 18 2.219 -1.173 -2.664 140 H PHE 19 HN PHE 19 2.514 -1.098 0.055 141 HA PHE 19 HA PHE 19 4.510 0.812 0.498 142 1HB PHE 19 HB2 PHE 19 2.097 0.169 1.569 143 2HB PHE 19 HB1 PHE 19 3.151 -0.319 2.892 144 HD1 PHE 19 HD1 PHE 19 4.642 1.318 3.993 145 HD2 PHE 19 HD2 PHE 19 1.857 2.500 0.944 146 HE1 PHE 19 HE1 PHE 19 4.916 3.689 4.663 147 HE2 PHE 19 HE2 PHE 19 2.131 4.873 1.615 148 HZ PHE 19 HZ PHE 19 3.661 5.466 3.474 149 H LYS 20 HN LYS 20 4.230 -2.426 1.959 150 HA LYS 20 HA LYS 20 6.479 -2.275 3.729 151 1HB LYS 20 HB2 LYS 20 4.700 -3.979 3.809 152 2HB LYS 20 HB1 LYS 20 5.213 -4.605 2.242 153 1HG LYS 20 HG2 LYS 20 7.494 -4.485 3.991 154 2HG LYS 20 HG1 LYS 20 6.186 -5.343 4.808 155 1HD LYS 20 HD2 LYS 20 5.924 -6.556 2.481 156 2HD LYS 20 HD1 LYS 20 7.593 -6.033 2.247 157 1HE LYS 20 HE2 LYS 20 7.854 -7.032 4.727 158 2HE LYS 20 HE1 LYS 20 6.492 -8.029 4.179 159 1HZ LYS 20 HZ1 LYS 20 8.447 -9.123 3.457 160 2HZ LYS 20 HZ2 LYS 20 9.131 -7.688 2.862 161 3HZ LYS 20 HZ3 LYS 20 7.794 -8.384 2.079 162 H THR 21 HN THR 21 6.221 -3.262 0.304 163 HA THR 21 HA THR 21 9.086 -3.916 0.116 164 HB THR 21 HB THR 21 7.066 -3.568 -2.116 165 HG1 THR 21 HG1 THR 21 6.004 -5.126 -1.226 166 1HG2 THR 21 HG21 THR 21 8.483 -4.892 -3.380 167 2HG2 THR 21 HG22 THR 21 9.155 -5.706 -1.967 168 3HG2 THR 21 HG23 THR 21 9.661 -4.064 -2.362 169 H TRP 22 HN TRP 22 6.906 -1.305 -0.973 170 HA TRP 22 HA TRP 22 8.719 0.192 -2.562 171 1HB TRP 22 HB2 TRP 22 6.154 0.420 -1.926 172 2HB TRP 22 HB1 TRP 22 6.773 1.511 -0.689 173 HD1 TRP 22 HD1 TRP 22 6.240 1.203 -4.419 174 HE1 TRP 22 HE1 TRP 22 6.825 3.444 -5.550 175 HE3 TRP 22 HE3 TRP 22 8.351 3.661 -0.471 176 HZ2 TRP 22 HZ2 TRP 22 8.031 5.949 -4.871 177 HZ3 TRP 22 HZ3 TRP 22 9.208 5.970 -0.741 178 HH2 TRP 22 HH2 TRP 22 9.051 7.116 -2.934 179 H LEU 23 HN LEU 23 8.068 0.383 0.947 180 HA LEU 23 HA LEU 23 9.941 2.458 1.563 181 1HB LEU 23 HB2 LEU 23 8.395 0.348 2.959 182 2HB LEU 23 HB1 LEU 23 9.828 0.907 3.819 183 HG LEU 23 HG LEU 23 7.834 2.238 4.431 184 1HD1 LEU 23 HD11 LEU 23 9.525 4.060 2.748 185 2HD1 LEU 23 HD12 LEU 23 10.266 3.190 4.090 186 3HD1 LEU 23 HD13 LEU 23 8.925 4.295 4.390 187 1HD2 LEU 23 HD21 LEU 23 6.587 2.034 2.328 188 2HD2 LEU 23 HD22 LEU 23 7.826 2.961 1.482 189 3HD2 LEU 23 HD23 LEU 23 6.832 3.737 2.715 190 H LYS 24 HN LYS 24 10.309 -1.105 1.483 191 HA LYS 24 HA LYS 24 13.061 -1.152 2.366 192 1HB LYS 24 HB2 LYS 24 11.114 -2.989 1.003 193 2HB LYS 24 HB1 LYS 24 12.818 -3.443 1.028 194 1HG LYS 24 HG2 LYS 24 12.878 -3.345 3.446 195 2HG LYS 24 HG1 LYS 24 11.248 -2.676 3.503 196 1HD LYS 24 HD2 LYS 24 10.980 -4.993 3.983 197 2HD LYS 24 HD1 LYS 24 10.491 -4.809 2.298 198 1HE LYS 24 HE2 LYS 24 11.934 -6.639 2.116 199 2HE LYS 24 HE1 LYS 24 13.087 -5.313 1.866 200 1HZ LYS 24 HZ1 LYS 24 13.484 -5.281 4.271 201 2HZ LYS 24 HZ2 LYS 24 13.893 -6.784 3.593 202 3HZ LYS 24 HZ3 LYS 24 12.447 -6.609 4.466 203 H ALA 25 HN ALA 25 11.500 -0.944 -0.825 204 HA ALA 25 HA ALA 25 13.888 -1.239 -2.417 205 1HB ALA 25 HB1 ALA 25 11.398 0.334 -3.116 206 2HB ALA 25 HB2 ALA 25 11.398 -1.429 -3.045 207 3HB ALA 25 HB3 ALA 25 12.435 -0.592 -4.201 208 H LYS 26 HN LYS 26 12.253 1.590 -0.980 209 HA LYS 26 HA LYS 26 13.868 3.596 -2.292 210 1HB LYS 26 HB2 LYS 26 11.590 3.582 -0.854 211 2HB LYS 26 HB1 LYS 26 12.713 4.047 0.425 212 1HG LYS 26 HG2 LYS 26 13.599 5.729 -1.434 213 2HG LYS 26 HG1 LYS 26 11.969 5.519 -2.074 214 1HD LYS 26 HD2 LYS 26 10.974 6.273 -0.019 215 2HD LYS 26 HD1 LYS 26 12.528 6.233 0.815 216 1HE LYS 26 HE2 LYS 26 13.375 8.069 -0.532 217 2HE LYS 26 HE1 LYS 26 11.926 8.040 -1.555 218 1HZ LYS 26 HZ1 LYS 26 11.727 9.720 0.186 219 2HZ LYS 26 HZ2 LYS 26 11.960 8.535 1.380 220 3HZ LYS 26 HZ3 LYS 26 10.573 8.494 0.399 221 H LEU 27 HN LEU 27 14.288 1.673 0.656 222 HA LEU 27 HA LEU 27 16.606 3.255 1.565 223 1HB LEU 27 HB2 LEU 27 14.695 1.780 2.805 224 2HB LEU 27 HB1 LEU 27 15.969 0.568 2.685 225 HG LEU 27 HG LEU 27 16.208 1.752 4.798 226 1HD1 LEU 27 HD11 LEU 27 18.310 2.854 2.917 227 2HD1 LEU 27 HD12 LEU 27 18.263 1.162 3.415 228 3HD1 LEU 27 HD13 LEU 27 18.500 2.430 4.618 229 1HD2 LEU 27 HD21 LEU 27 16.472 4.154 4.924 230 2HD2 LEU 27 HD22 LEU 27 15.002 3.822 4.006 231 3HD2 LEU 27 HD23 LEU 27 16.479 4.294 3.166 232 H MET 28 HN MET 28 16.075 -0.135 0.479 233 HA MET 28 HA MET 28 19.002 -0.431 0.020 234 1HB MET 28 HB2 MET 28 17.555 -2.091 1.287 235 2HB MET 28 HB1 MET 28 16.754 -2.452 -0.243 236 1HG MET 28 HG2 MET 28 18.455 -4.097 -0.061 237 2HG MET 28 HG1 MET 28 19.116 -2.899 -1.173 238 1HE MET 28 HE1 MET 28 21.186 -2.344 -1.176 239 2HE MET 28 HE2 MET 28 21.711 -3.907 -0.556 240 3HE MET 28 HE3 MET 28 22.409 -2.428 0.098 241 HA PRO 29 HA PRO 29 18.046 0.449 -4.288 242 1HB PRO 29 HB2 PRO 29 20.646 0.500 -5.138 243 2HB PRO 29 HB1 PRO 29 19.870 1.861 -4.308 244 1HG PRO 29 HG2 PRO 29 21.746 -0.183 -3.245 245 2HG PRO 29 HG1 PRO 29 21.616 1.540 -2.860 246 1HD PRO 29 HD2 PRO 29 20.646 -0.467 -1.266 247 2HD PRO 29 HD1 PRO 29 20.015 1.193 -1.273 248 H GLN 30 HN GLN 30 19.156 -0.606 -6.419 249 HA GLN 30 HA GLN 30 19.512 -3.549 -5.939 250 1HB GLN 30 HB2 GLN 30 17.183 -2.695 -6.666 251 2HB GLN 30 HB1 GLN 30 17.937 -2.344 -8.222 252 1HG GLN 30 HG2 GLN 30 18.636 -4.695 -8.429 253 2HG GLN 30 HG1 GLN 30 17.914 -5.055 -6.861 254 1HE2 GLN 30 HE21 GLN 30 17.026 -3.777 -10.114 255 2HE2 GLN 30 HE22 GLN 30 15.434 -4.363 -10.069 256 H LEU 31 HN LEU 31 21.037 -4.532 -7.291 257 HA LEU 31 HA LEU 31 22.202 -2.941 -9.534 258 1HB LEU 31 HB2 LEU 31 23.353 -2.701 -7.200 259 2HB LEU 31 HB1 LEU 31 23.942 -4.336 -7.502 260 HG LEU 31 HG LEU 31 24.270 -2.555 -9.812 261 1HD1 LEU 31 HD11 LEU 31 25.796 -1.970 -7.254 262 2HD1 LEU 31 HD12 LEU 31 24.608 -0.902 -8.002 263 3HD1 LEU 31 HD13 LEU 31 26.122 -1.257 -8.834 264 1HD2 LEU 31 HD21 LEU 31 25.288 -4.804 -9.579 265 2HD2 LEU 31 HD22 LEU 31 26.197 -4.238 -8.177 266 3HD2 LEU 31 HD23 LEU 31 26.520 -3.557 -9.771 Start of MODEL 4 1 1H SER 1 HT1 SER 1 -26.804 -1.805 -8.678 2 2H SER 1 HT2 SER 1 -25.390 -2.139 -7.799 3 3H SER 1 HT3 SER 1 -25.433 -2.405 -9.476 4 HA SER 1 HA SER 1 -25.666 -0.024 -9.883 5 1HB SER 1 HB2 SER 1 -25.392 0.161 -6.866 6 2HB SER 1 HB1 SER 1 -25.704 1.486 -7.983 7 HG SER 1 HG SER 1 -27.651 0.852 -7.117 8 H GLY 2 HN GLY 2 -23.674 -0.949 -7.029 9 1HA GLY 2 HA2 GLY 2 -21.260 -1.600 -8.020 10 2HA GLY 2 HA1 GLY 2 -21.276 0.127 -8.382 11 H SER 3 HN SER 3 -19.696 -1.585 -6.387 12 HA SER 3 HA SER 3 -20.504 -0.260 -3.834 13 1HB SER 3 HB2 SER 3 -18.743 -1.952 -2.973 14 2HB SER 3 HB1 SER 3 -20.248 -2.610 -3.608 15 HG SER 3 HG SER 3 -18.960 -3.691 -4.879 16 H TRP 4 HN TRP 4 -19.640 1.860 -4.449 17 HA TRP 4 HA TRP 4 -16.963 2.352 -5.329 18 1HB TRP 4 HB2 TRP 4 -19.306 3.783 -4.409 19 2HB TRP 4 HB1 TRP 4 -17.858 4.494 -3.702 20 HD1 TRP 4 HD1 TRP 4 -19.582 3.867 -7.034 21 HE1 TRP 4 HE1 TRP 4 -18.417 5.267 -8.858 22 HE3 TRP 4 HE3 TRP 4 -15.571 5.602 -4.390 23 HZ2 TRP 4 HZ2 TRP 4 -16.092 6.904 -9.158 24 HZ3 TRP 4 HZ3 TRP 4 -13.899 7.078 -5.469 25 HH2 TRP 4 HH2 TRP 4 -14.154 7.732 -7.847 26 H LEU 5 HN LEU 5 -18.351 1.961 -2.075 27 HA LEU 5 HA LEU 5 -16.149 2.824 -0.501 28 1HB LEU 5 HB2 LEU 5 -18.566 1.151 -0.240 29 2HB LEU 5 HB1 LEU 5 -17.282 0.724 0.893 30 HG LEU 5 HG LEU 5 -17.115 3.219 1.429 31 1HD1 LEU 5 HD11 LEU 5 -19.754 3.184 -0.068 32 2HD1 LEU 5 HD12 LEU 5 -18.307 4.087 -0.517 33 3HD1 LEU 5 HD13 LEU 5 -19.197 4.516 0.944 34 1HD2 LEU 5 HD21 LEU 5 -19.445 3.071 2.694 35 2HD2 LEU 5 HD22 LEU 5 -18.113 2.009 3.144 36 3HD2 LEU 5 HD23 LEU 5 -19.407 1.409 2.108 37 H ARG 6 HN ARG 6 -16.881 -0.440 -1.801 38 HA ARG 6 HA ARG 6 -14.646 -1.836 -0.739 39 1HB ARG 6 HB2 ARG 6 -16.758 -2.602 -2.063 40 2HB ARG 6 HB1 ARG 6 -15.785 -2.291 -3.501 41 1HG ARG 6 HG2 ARG 6 -13.987 -3.765 -2.400 42 2HG ARG 6 HG1 ARG 6 -15.252 -4.272 -1.282 43 1HD ARG 6 HD2 ARG 6 -15.886 -5.804 -2.831 44 2HD ARG 6 HD1 ARG 6 -16.404 -4.455 -3.861 45 HE ARG 6 HE ARG 6 -14.170 -4.452 -4.885 46 1HH1 ARG 6 HH21 ARG 6 -12.635 -5.682 -2.616 47 2HH1 ARG 6 HH22 ARG 6 -12.333 -7.281 -3.207 48 1HH2 ARG 6 HH11 ARG 6 -14.750 -7.100 -5.698 49 2HH2 ARG 6 HH12 ARG 6 -13.537 -8.089 -4.956 50 H ASP 7 HN ASP 7 -14.947 0.167 -3.669 51 HA ASP 7 HA ASP 7 -12.389 -0.397 -4.828 52 1HB ASP 7 HB2 ASP 7 -14.446 0.792 -5.795 53 2HB ASP 7 HB1 ASP 7 -13.916 2.222 -4.909 54 H ILE 8 HN ILE 8 -13.442 2.015 -2.416 55 HA ILE 8 HA ILE 8 -10.823 3.296 -2.214 56 HB ILE 8 HB ILE 8 -13.441 3.359 -0.702 57 1HG1 ILE 8 HG12 ILE 8 -12.413 5.887 -1.632 58 2HG1 ILE 8 HG11 ILE 8 -12.351 4.713 -2.947 59 1HG2 ILE 8 HG21 ILE 8 -10.818 4.672 0.026 60 2HG2 ILE 8 HG22 ILE 8 -11.892 3.731 1.062 61 3HG2 ILE 8 HG23 ILE 8 -12.368 5.345 0.533 62 1HD1 ILE 8 HD11 ILE 8 -14.588 6.127 -2.266 63 2HD1 ILE 8 HD12 ILE 8 -14.835 4.639 -1.354 64 3HD1 ILE 8 HD13 ILE 8 -14.614 4.576 -3.101 65 H TRP 9 HN TRP 9 -12.696 1.051 -0.125 66 HA TRP 9 HA TRP 9 -10.793 0.740 1.960 67 1HB TRP 9 HB2 TRP 9 -12.845 -1.132 0.740 68 2HB TRP 9 HB1 TRP 9 -11.982 -1.498 2.233 69 HD1 TRP 9 HD1 TRP 9 -15.203 -0.525 1.493 70 HE1 TRP 9 HE1 TRP 9 -16.221 1.161 3.153 71 HE3 TRP 9 HE3 TRP 9 -10.947 1.187 3.743 72 HZ2 TRP 9 HZ2 TRP 9 -15.351 2.992 5.166 73 HZ3 TRP 9 HZ3 TRP 9 -11.073 2.899 5.528 74 HH2 TRP 9 HH2 TRP 9 -13.268 3.803 6.242 75 H ASP 10 HN ASP 10 -11.178 -1.139 -1.059 76 HA ASP 10 HA ASP 10 -9.016 -2.972 -0.622 77 1HB ASP 10 HB2 ASP 10 -10.949 -3.010 -2.307 78 2HB ASP 10 HB1 ASP 10 -9.996 -1.885 -3.275 79 H TRP 11 HN TRP 11 -9.135 0.202 -2.280 80 HA TRP 11 HA TRP 11 -6.436 0.273 -3.214 81 1HB TRP 11 HB2 TRP 11 -8.230 1.800 -3.926 82 2HB TRP 11 HB1 TRP 11 -8.334 2.464 -2.298 83 HD1 TRP 11 HD1 TRP 11 -6.127 2.457 -5.407 84 HE1 TRP 11 HE1 TRP 11 -4.432 4.393 -5.228 85 HE3 TRP 11 HE3 TRP 11 -7.030 3.983 -0.618 86 HZ2 TRP 11 HZ2 TRP 11 -3.572 6.329 -3.306 87 HZ3 TRP 11 HZ3 TRP 11 -5.762 5.871 0.361 88 HH2 TRP 11 HH2 TRP 11 -4.035 7.046 -0.975 89 H ILE 12 HN ILE 12 -7.870 1.312 -0.107 90 HA ILE 12 HA ILE 12 -5.501 2.436 1.053 91 HB ILE 12 HB ILE 12 -7.980 1.096 2.192 92 1HG1 ILE 12 HG12 ILE 12 -7.281 4.028 2.270 93 2HG1 ILE 12 HG11 ILE 12 -8.010 3.325 0.826 94 1HG2 ILE 12 HG21 ILE 12 -7.325 2.371 4.305 95 2HG2 ILE 12 HG22 ILE 12 -5.727 2.565 3.585 96 3HG2 ILE 12 HG23 ILE 12 -6.346 0.952 3.938 97 1HD1 ILE 12 HD11 ILE 12 -9.807 4.157 2.201 98 2HD1 ILE 12 HD12 ILE 12 -9.158 3.349 3.629 99 3HD1 ILE 12 HD13 ILE 12 -9.835 2.397 2.306 100 H CYS 13 HN CYS 13 -6.720 -0.893 0.846 101 HA CYS 13 HA CYS 13 -4.814 -2.088 2.664 102 1HB CYS 13 HB2 CYS 13 -7.044 -2.991 1.802 103 2HB CYS 13 HB1 CYS 13 -6.214 -3.350 0.288 104 HG CYS 13 HG CYS 13 -4.824 -5.141 1.448 105 H GLU 14 HN GLU 14 -4.829 -1.479 -0.855 106 HA GLU 14 HA GLU 14 -2.399 -2.927 -1.442 107 1HB GLU 14 HB2 GLU 14 -4.391 -1.269 -2.744 108 2HB GLU 14 HB1 GLU 14 -2.776 -0.839 -3.302 109 1HG GLU 14 HG2 GLU 14 -3.182 -2.584 -4.747 110 2HG GLU 14 HG1 GLU 14 -2.531 -3.510 -3.394 111 H VAL 15 HN VAL 15 -3.101 0.457 -0.649 112 HA VAL 15 HA VAL 15 -0.461 1.519 -1.057 113 HB VAL 15 HB VAL 15 -2.784 2.323 0.734 114 1HG1 VAL 15 HG11 VAL 15 -0.431 4.021 -0.149 115 2HG1 VAL 15 HG12 VAL 15 -0.577 3.301 1.454 116 3HG1 VAL 15 HG13 VAL 15 -1.749 4.506 0.918 117 1HG2 VAL 15 HG21 VAL 15 -2.079 3.903 -1.661 118 2HG2 VAL 15 HG22 VAL 15 -3.661 3.372 -1.088 119 3HG2 VAL 15 HG23 VAL 15 -2.640 2.268 -2.008 120 H LEU 16 HN LEU 16 -2.000 -0.107 1.698 121 HA LEU 16 HA LEU 16 0.158 0.458 3.580 122 1HB LEU 16 HB2 LEU 16 -2.330 -0.058 4.006 123 2HB LEU 16 HB1 LEU 16 -1.915 -1.745 3.705 124 HG LEU 16 HG LEU 16 -0.058 -1.413 5.467 125 1HD1 LEU 16 HD11 LEU 16 -0.072 1.000 5.612 126 2HD1 LEU 16 HD12 LEU 16 -0.658 0.370 7.151 127 3HD1 LEU 16 HD13 LEU 16 -1.798 1.017 5.971 128 1HD2 LEU 16 HD21 LEU 16 -2.989 -1.290 6.247 129 2HD2 LEU 16 HD22 LEU 16 -1.683 -1.787 7.323 130 3HD2 LEU 16 HD23 LEU 16 -2.064 -2.750 5.897 131 H SER 17 HN SER 17 -0.797 -2.353 1.577 132 HA SER 17 HA SER 17 1.325 -4.094 2.502 133 1HB SER 17 HB2 SER 17 -0.890 -4.090 0.638 134 2HB SER 17 HB1 SER 17 0.531 -4.793 -0.126 135 HG SER 17 HG SER 17 -1.051 -5.764 1.865 136 H ASP 18 HN ASP 18 0.984 -1.900 -0.301 137 HA ASP 18 HA ASP 18 3.470 -2.569 -1.575 138 1HB ASP 18 HB2 ASP 18 1.574 -1.356 -2.614 139 2HB ASP 18 HB1 ASP 18 1.876 0.015 -1.547 140 H PHE 19 HN PHE 19 2.660 -0.337 1.066 141 HA PHE 19 HA PHE 19 4.922 1.319 1.176 142 1HB PHE 19 HB2 PHE 19 2.741 0.632 2.779 143 2HB PHE 19 HB1 PHE 19 4.134 0.223 3.778 144 HD1 PHE 19 HD1 PHE 19 6.004 1.996 4.004 145 HD2 PHE 19 HD2 PHE 19 2.054 2.877 2.558 146 HE1 PHE 19 HE1 PHE 19 6.355 4.398 4.507 147 HE2 PHE 19 HE2 PHE 19 2.406 5.279 3.062 148 HZ PHE 19 HZ PHE 19 4.556 6.040 4.036 149 H LYS 20 HN LYS 20 4.562 -1.996 2.460 150 HA LYS 20 HA LYS 20 7.179 -2.248 3.607 151 1HB LYS 20 HB2 LYS 20 5.161 -3.707 3.977 152 2HB LYS 20 HB1 LYS 20 5.398 -4.370 2.359 153 1HG LYS 20 HG2 LYS 20 7.741 -5.017 3.071 154 2HG LYS 20 HG1 LYS 20 7.290 -4.566 4.716 155 1HD LYS 20 HD2 LYS 20 5.384 -6.360 3.330 156 2HD LYS 20 HD1 LYS 20 6.957 -7.070 3.695 157 1HE LYS 20 HE2 LYS 20 6.720 -6.434 6.066 158 2HE LYS 20 HE1 LYS 20 5.150 -5.685 5.714 159 1HZ LYS 20 HZ1 LYS 20 4.354 -7.805 4.874 160 2HZ LYS 20 HZ2 LYS 20 4.886 -7.979 6.477 161 3HZ LYS 20 HZ3 LYS 20 5.853 -8.530 5.196 162 H THR 21 HN THR 21 5.922 -3.150 0.368 163 HA THR 21 HA THR 21 8.447 -4.149 -0.635 164 HB THR 21 HB THR 21 6.208 -2.998 -2.305 165 HG1 THR 21 HG1 THR 21 6.214 -5.456 -0.886 166 1HG2 THR 21 HG21 THR 21 8.419 -4.145 -3.151 167 2HG2 THR 21 HG22 THR 21 6.878 -4.549 -3.906 168 3HG2 THR 21 HG23 THR 21 7.583 -5.634 -2.708 169 H TRP 22 HN TRP 22 6.820 -0.980 -0.772 170 HA TRP 22 HA TRP 22 8.459 0.384 -2.623 171 1HB TRP 22 HB2 TRP 22 6.346 1.065 -1.247 172 2HB TRP 22 HB1 TRP 22 7.500 1.594 -0.028 173 HD1 TRP 22 HD1 TRP 22 6.066 2.525 -3.386 174 HE1 TRP 22 HE1 TRP 22 7.044 4.792 -4.135 175 HE3 TRP 22 HE3 TRP 22 9.718 3.119 0.134 176 HZ2 TRP 22 HZ2 TRP 22 9.103 6.615 -3.346 177 HZ3 TRP 22 HZ3 TRP 22 11.171 5.127 0.112 178 HH2 TRP 22 HH2 TRP 22 10.868 6.873 -1.622 179 H LEU 23 HN LEU 23 8.881 0.095 0.913 180 HA LEU 23 HA LEU 23 11.426 1.443 1.045 181 1HB LEU 23 HB2 LEU 23 9.645 -0.190 2.756 182 2HB LEU 23 HB1 LEU 23 11.351 -0.258 3.203 183 HG LEU 23 HG LEU 23 11.243 2.354 2.922 184 1HD1 LEU 23 HD11 LEU 23 9.050 3.293 3.455 185 2HD1 LEU 23 HD12 LEU 23 8.348 1.677 3.532 186 3HD1 LEU 23 HD13 LEU 23 8.927 2.316 1.992 187 1HD2 LEU 23 HD21 LEU 23 11.659 1.139 5.045 188 2HD2 LEU 23 HD22 LEU 23 9.920 0.940 5.263 189 3HD2 LEU 23 HD23 LEU 23 10.635 2.552 5.302 190 H LYS 24 HN LYS 24 10.522 -1.999 0.707 191 HA LYS 24 HA LYS 24 13.169 -3.099 0.908 192 1HB LYS 24 HB2 LYS 24 10.796 -4.173 0.971 193 2HB LYS 24 HB1 LYS 24 10.926 -4.201 -0.789 194 1HG LYS 24 HG2 LYS 24 13.198 -5.353 -0.436 195 2HG LYS 24 HG1 LYS 24 12.679 -5.600 1.232 196 1HD LYS 24 HD2 LYS 24 10.473 -6.495 0.012 197 2HD LYS 24 HD1 LYS 24 11.627 -6.822 -1.280 198 1HE LYS 24 HE2 LYS 24 12.139 -7.696 1.578 199 2HE LYS 24 HE1 LYS 24 11.290 -8.726 0.408 200 1HZ LYS 24 HZ1 LYS 24 13.162 -8.406 -1.133 201 2HZ LYS 24 HZ2 LYS 24 13.650 -9.169 0.305 202 3HZ LYS 24 HZ3 LYS 24 13.989 -7.523 0.057 203 H ALA 25 HN ALA 25 11.233 -1.987 -1.883 204 HA ALA 25 HA ALA 25 13.092 -2.727 -3.944 205 1HB ALA 25 HB1 ALA 25 11.691 -1.306 -5.312 206 2HB ALA 25 HB2 ALA 25 11.135 -0.409 -3.898 207 3HB ALA 25 HB3 ALA 25 10.643 -2.087 -4.127 208 H LYS 26 HN LYS 26 12.777 0.199 -1.936 209 HA LYS 26 HA LYS 26 14.725 1.785 -3.379 210 1HB LYS 26 HB2 LYS 26 13.227 1.852 -0.800 211 2HB LYS 26 HB1 LYS 26 14.675 2.853 -0.899 212 1HG LYS 26 HG2 LYS 26 13.245 3.183 -3.344 213 2HG LYS 26 HG1 LYS 26 12.087 3.360 -2.025 214 1HD LYS 26 HD2 LYS 26 12.876 5.517 -2.052 215 2HD LYS 26 HD1 LYS 26 14.109 4.816 -1.005 216 1HE LYS 26 HE2 LYS 26 15.721 4.769 -2.706 217 2HE LYS 26 HE1 LYS 26 14.500 4.771 -3.995 218 1HZ LYS 26 HZ1 LYS 26 13.874 7.005 -3.403 219 2HZ LYS 26 HZ2 LYS 26 15.548 6.966 -3.694 220 3HZ LYS 26 HZ3 LYS 26 14.961 7.018 -2.100 221 H LEU 27 HN LEU 27 14.946 -0.600 -0.774 222 HA LEU 27 HA LEU 27 17.887 -0.075 -0.539 223 1HB LEU 27 HB2 LEU 27 15.732 -0.528 1.285 224 2HB LEU 27 HB1 LEU 27 16.839 -1.893 1.420 225 HG LEU 27 HG LEU 27 18.336 0.575 1.231 226 1HD1 LEU 27 HD11 LEU 27 16.334 0.391 3.505 227 2HD1 LEU 27 HD12 LEU 27 16.288 1.578 2.201 228 3HD1 LEU 27 HD13 LEU 27 17.621 1.588 3.356 229 1HD2 LEU 27 HD21 LEU 27 18.040 -1.251 3.624 230 2HD2 LEU 27 HD22 LEU 27 19.459 -0.330 3.125 231 3HD2 LEU 27 HD23 LEU 27 18.947 -1.736 2.192 232 H MET 28 HN MET 28 17.128 -1.459 -2.842 233 HA MET 28 HA MET 28 17.899 -4.291 -2.207 234 1HB MET 28 HB2 MET 28 15.500 -3.596 -3.074 235 2HB MET 28 HB1 MET 28 16.314 -3.502 -4.635 236 1HG MET 28 HG2 MET 28 15.863 -5.731 -4.750 237 2HG MET 28 HG1 MET 28 17.263 -5.889 -3.690 238 1HE MET 28 HE1 MET 28 13.275 -4.783 -2.867 239 2HE MET 28 HE2 MET 28 12.895 -6.497 -3.006 240 3HE MET 28 HE3 MET 28 13.741 -5.680 -4.318 241 HA PRO 29 HA PRO 29 21.292 -3.060 -4.873 242 1HB PRO 29 HB2 PRO 29 22.742 -5.361 -4.576 243 2HB PRO 29 HB1 PRO 29 22.712 -4.070 -3.361 244 1HG PRO 29 HG2 PRO 29 21.295 -6.676 -3.389 245 2HG PRO 29 HG1 PRO 29 21.974 -5.775 -2.027 246 1HD PRO 29 HD2 PRO 29 19.296 -5.862 -2.667 247 2HD PRO 29 HD1 PRO 29 20.067 -4.575 -1.715 248 H GLN 30 HN GLN 30 22.539 -4.439 -6.676 249 HA GLN 30 HA GLN 30 22.468 -5.661 -8.691 250 1HB GLN 30 HB2 GLN 30 21.147 -7.191 -6.839 251 2HB GLN 30 HB1 GLN 30 19.900 -6.990 -8.069 252 1HG GLN 30 HG2 GLN 30 20.931 -8.472 -9.409 253 2HG GLN 30 HG1 GLN 30 22.418 -7.526 -9.357 254 1HE2 GLN 30 HE21 GLN 30 21.103 -10.528 -8.484 255 2HE2 GLN 30 HE22 GLN 30 22.266 -10.981 -7.334 256 H LEU 31 HN LEU 31 18.993 -5.132 -7.909 257 HA LEU 31 HA LEU 31 17.314 -3.978 -9.091 258 1HB LEU 31 HB2 LEU 31 19.567 -2.380 -8.932 259 2HB LEU 31 HB1 LEU 31 19.213 -2.364 -10.660 260 HG LEU 31 HG LEU 31 16.738 -1.956 -9.847 261 1HD1 LEU 31 HD11 LEU 31 18.325 -0.786 -7.544 262 2HD1 LEU 31 HD12 LEU 31 17.405 -2.286 -7.432 263 3HD1 LEU 31 HD13 LEU 31 16.573 -0.765 -7.751 264 1HD2 LEU 31 HD21 LEU 31 17.930 -0.336 -11.183 265 2HD2 LEU 31 HD22 LEU 31 18.960 0.108 -9.821 266 3HD2 LEU 31 HD23 LEU 31 17.246 0.526 -9.804 Start of MODEL 5 1 1H SER 1 HT1 SER 1 -24.620 6.026 -7.861 2 2H SER 1 HT2 SER 1 -23.990 5.112 -9.147 3 3H SER 1 HT3 SER 1 -23.425 6.690 -8.867 4 HA SER 1 HA SER 1 -21.774 5.168 -8.049 5 1HB SER 1 HB2 SER 1 -22.008 5.886 -5.572 6 2HB SER 1 HB1 SER 1 -21.989 7.166 -6.781 7 HG SER 1 HG SER 1 -23.708 7.484 -5.359 8 H GLY 2 HN GLY 2 -21.269 3.240 -6.918 9 1HA GLY 2 HA2 GLY 2 -23.608 1.667 -5.903 10 2HA GLY 2 HA1 GLY 2 -22.326 0.925 -6.862 11 H SER 3 HN SER 3 -20.394 0.354 -5.847 12 HA SER 3 HA SER 3 -20.382 0.587 -2.870 13 1HB SER 3 HB2 SER 3 -19.978 -1.499 -4.683 14 2HB SER 3 HB1 SER 3 -18.351 -1.095 -4.145 15 HG SER 3 HG SER 3 -19.878 -2.613 -2.869 16 H TRP 4 HN TRP 4 -19.695 2.976 -3.463 17 HA TRP 4 HA TRP 4 -17.071 3.527 -4.499 18 1HB TRP 4 HB2 TRP 4 -19.341 4.899 -3.456 19 2HB TRP 4 HB1 TRP 4 -17.939 5.462 -2.550 20 HD1 TRP 4 HD1 TRP 4 -19.170 5.079 -6.180 21 HE1 TRP 4 HE1 TRP 4 -17.957 6.828 -7.636 22 HE3 TRP 4 HE3 TRP 4 -15.956 7.035 -2.723 23 HZ2 TRP 4 HZ2 TRP 4 -15.898 8.794 -7.371 24 HZ3 TRP 4 HZ3 TRP 4 -14.382 8.842 -3.352 25 HH2 TRP 4 HH2 TRP 4 -14.348 9.723 -5.669 26 H LEU 5 HN LEU 5 -18.258 3.226 -1.124 27 HA LEU 5 HA LEU 5 -15.781 3.713 0.203 28 1HB LEU 5 HB2 LEU 5 -18.347 2.262 0.802 29 2HB LEU 5 HB1 LEU 5 -17.007 2.126 1.939 30 HG LEU 5 HG LEU 5 -17.071 4.842 1.378 31 1HD1 LEU 5 HD11 LEU 5 -19.204 4.662 0.218 32 2HD1 LEU 5 HD12 LEU 5 -19.469 5.449 1.772 33 3HD1 LEU 5 HD13 LEU 5 -19.896 3.752 1.560 34 1HD2 LEU 5 HD21 LEU 5 -16.745 3.777 3.583 35 2HD2 LEU 5 HD22 LEU 5 -18.451 3.334 3.624 36 3HD2 LEU 5 HD23 LEU 5 -17.980 5.033 3.669 37 H ARG 6 HN ARG 6 -17.166 0.700 -1.117 38 HA ARG 6 HA ARG 6 -15.111 -1.072 -0.118 39 1HB ARG 6 HB2 ARG 6 -17.500 -1.505 -1.086 40 2HB ARG 6 HB1 ARG 6 -16.701 -1.456 -2.659 41 1HG ARG 6 HG2 ARG 6 -15.744 -3.488 -2.359 42 2HG ARG 6 HG1 ARG 6 -15.284 -3.120 -0.698 43 1HD ARG 6 HD2 ARG 6 -18.160 -3.719 -1.440 44 2HD ARG 6 HD1 ARG 6 -17.015 -5.004 -1.000 45 HE ARG 6 HE ARG 6 -18.001 -2.876 0.809 46 1HH1 ARG 6 HH21 ARG 6 -17.947 -5.817 1.477 47 2HH1 ARG 6 HH22 ARG 6 -16.591 -5.912 2.552 48 1HH2 ARG 6 HH11 ARG 6 -15.312 -2.813 1.627 49 2HH2 ARG 6 HH12 ARG 6 -15.092 -4.203 2.638 50 H ASP 7 HN ASP 7 -15.544 0.736 -3.159 51 HA ASP 7 HA ASP 7 -13.369 -0.272 -4.668 52 1HB ASP 7 HB2 ASP 7 -15.260 1.322 -5.306 53 2HB ASP 7 HB1 ASP 7 -14.323 2.605 -4.539 54 H ILE 8 HN ILE 8 -13.444 2.317 -2.209 55 HA ILE 8 HA ILE 8 -10.604 2.963 -2.511 56 HB ILE 8 HB ILE 8 -12.682 3.640 -0.397 57 1HG1 ILE 8 HG12 ILE 8 -11.715 5.611 -2.416 58 2HG1 ILE 8 HG11 ILE 8 -12.794 4.344 -3.002 59 1HG2 ILE 8 HG21 ILE 8 -9.853 4.537 -0.875 60 2HG2 ILE 8 HG22 ILE 8 -10.660 4.162 0.648 61 3HG2 ILE 8 HG23 ILE 8 -11.019 5.672 -0.192 62 1HD1 ILE 8 HD11 ILE 8 -13.326 6.504 -0.990 63 2HD1 ILE 8 HD12 ILE 8 -14.209 4.982 -0.868 64 3HD1 ILE 8 HD13 ILE 8 -14.331 5.956 -2.332 65 H TRP 9 HN TRP 9 -12.558 0.900 -0.381 66 HA TRP 9 HA TRP 9 -10.771 0.386 1.733 67 1HB TRP 9 HB2 TRP 9 -13.041 -0.439 1.707 68 2HB TRP 9 HB1 TRP 9 -12.742 -1.374 0.244 69 HD1 TRP 9 HD1 TRP 9 -11.944 -3.781 0.542 70 HE1 TRP 9 HE1 TRP 9 -11.148 -5.214 2.531 71 HE3 TRP 9 HE3 TRP 9 -11.674 -0.188 4.162 72 HZ2 TRP 9 HZ2 TRP 9 -10.487 -4.879 5.295 73 HZ3 TRP 9 HZ3 TRP 9 -10.959 -0.773 6.461 74 HH2 TRP 9 HH2 TRP 9 -10.366 -3.111 7.032 75 H ASP 10 HN ASP 10 -11.015 -1.458 -1.351 76 HA ASP 10 HA ASP 10 -8.810 -3.207 -0.881 77 1HB ASP 10 HB2 ASP 10 -10.595 -3.381 -2.647 78 2HB ASP 10 HB1 ASP 10 -9.807 -2.061 -3.513 79 H TRP 11 HN TRP 11 -8.945 0.032 -2.385 80 HA TRP 11 HA TRP 11 -6.201 0.182 -3.209 81 1HB TRP 11 HB2 TRP 11 -7.985 1.686 -3.984 82 2HB TRP 11 HB1 TRP 11 -8.197 2.308 -2.348 83 HD1 TRP 11 HD1 TRP 11 -5.726 2.334 -5.270 84 HE1 TRP 11 HE1 TRP 11 -4.098 4.307 -4.954 85 HE3 TRP 11 HE3 TRP 11 -7.133 3.904 -0.621 86 HZ2 TRP 11 HZ2 TRP 11 -3.474 6.291 -2.988 87 HZ3 TRP 11 HZ3 TRP 11 -6.007 5.835 0.451 88 HH2 TRP 11 HH2 TRP 11 -4.181 7.028 -0.727 89 H ILE 12 HN ILE 12 -7.819 1.035 -0.139 90 HA ILE 12 HA ILE 12 -5.586 2.258 1.172 91 HB ILE 12 HB ILE 12 -8.008 0.693 2.126 92 1HG1 ILE 12 HG12 ILE 12 -7.507 3.637 2.488 93 2HG1 ILE 12 HG11 ILE 12 -8.065 3.038 0.927 94 1HG2 ILE 12 HG21 ILE 12 -7.479 1.920 4.341 95 2HG2 ILE 12 HG22 ILE 12 -5.848 2.104 3.698 96 3HG2 ILE 12 HG23 ILE 12 -6.518 0.493 3.957 97 1HD1 ILE 12 HD11 ILE 12 -9.464 2.213 3.464 98 2HD1 ILE 12 HD12 ILE 12 -10.089 2.239 1.815 99 3HD1 ILE 12 HD13 ILE 12 -9.848 3.751 2.690 100 H CYS 13 HN CYS 13 -6.614 -1.138 0.879 101 HA CYS 13 HA CYS 13 -4.596 -2.258 2.620 102 1HB CYS 13 HB2 CYS 13 -6.828 -3.223 1.712 103 2HB CYS 13 HB1 CYS 13 -5.911 -3.614 0.257 104 HG CYS 13 HG CYS 13 -5.910 -5.548 2.233 105 H GLU 14 HN GLU 14 -4.717 -1.441 -0.833 106 HA GLU 14 HA GLU 14 -2.309 -2.792 -1.640 107 1HB GLU 14 HB2 GLU 14 -4.126 -0.633 -2.638 108 2HB GLU 14 HB1 GLU 14 -2.565 -0.828 -3.427 109 1HG GLU 14 HG2 GLU 14 -3.085 -3.258 -3.747 110 2HG GLU 14 HG1 GLU 14 -4.696 -2.955 -3.090 111 H VAL 15 HN VAL 15 -2.984 0.550 -0.629 112 HA VAL 15 HA VAL 15 -0.361 1.632 -0.926 113 HB VAL 15 HB VAL 15 -2.612 2.259 1.021 114 1HG1 VAL 15 HG11 VAL 15 -0.409 3.224 1.705 115 2HG1 VAL 15 HG12 VAL 15 -1.584 4.459 1.256 116 3HG1 VAL 15 HG13 VAL 15 -0.301 4.014 0.131 117 1HG2 VAL 15 HG21 VAL 15 -2.544 2.441 -1.757 118 2HG2 VAL 15 HG22 VAL 15 -2.135 4.073 -1.229 119 3HG2 VAL 15 HG23 VAL 15 -3.639 3.324 -0.694 120 H LEU 16 HN LEU 16 -1.878 -0.131 1.774 121 HA LEU 16 HA LEU 16 0.366 0.190 3.603 122 1HB LEU 16 HB2 LEU 16 -2.144 -0.290 4.042 123 2HB LEU 16 HB1 LEU 16 -1.770 -1.960 3.627 124 HG LEU 16 HG LEU 16 -1.697 -1.298 6.125 125 1HD1 LEU 16 HD11 LEU 16 0.909 -2.489 5.252 126 2HD1 LEU 16 HD12 LEU 16 -0.590 -3.322 4.841 127 3HD1 LEU 16 HD13 LEU 16 -0.188 -3.011 6.530 128 1HD2 LEU 16 HD21 LEU 16 -0.313 0.797 5.588 129 2HD2 LEU 16 HD22 LEU 16 1.056 -0.294 5.375 130 3HD2 LEU 16 HD23 LEU 16 0.249 -0.188 6.939 131 H SER 17 HN SER 17 -0.755 -2.395 1.406 132 HA SER 17 HA SER 17 1.309 -4.305 2.079 133 1HB SER 17 HB2 SER 17 -0.921 -4.737 0.985 134 2HB SER 17 HB1 SER 17 -0.303 -3.970 -0.474 135 HG SER 17 HG SER 17 0.097 -6.113 -0.721 136 H ASP 18 HN ASP 18 1.000 -1.822 -0.472 137 HA ASP 18 HA ASP 18 3.446 -2.507 -1.853 138 1HB ASP 18 HB2 ASP 18 1.492 -1.244 -2.774 139 2HB ASP 18 HB1 ASP 18 1.914 0.110 -1.725 140 H PHE 19 HN PHE 19 2.679 -0.138 0.723 141 HA PHE 19 HA PHE 19 5.103 1.300 0.805 142 1HB PHE 19 HB2 PHE 19 2.786 0.833 2.425 143 2HB PHE 19 HB1 PHE 19 4.204 0.746 3.465 144 HD1 PHE 19 HD1 PHE 19 2.744 2.841 0.716 145 HD2 PHE 19 HD2 PHE 19 5.159 2.725 4.268 146 HE1 PHE 19 HE1 PHE 19 2.935 5.313 0.668 147 HE2 PHE 19 HE2 PHE 19 5.350 5.197 4.219 148 HZ PHE 19 HZ PHE 19 4.238 6.490 2.419 149 H LYS 20 HN LYS 20 4.339 -1.898 2.168 150 HA LYS 20 HA LYS 20 6.764 -2.274 3.663 151 1HB LYS 20 HB2 LYS 20 4.370 -3.598 3.222 152 2HB LYS 20 HB1 LYS 20 5.544 -4.664 2.449 153 1HG LYS 20 HG2 LYS 20 6.739 -5.007 4.446 154 2HG LYS 20 HG1 LYS 20 6.071 -3.560 5.202 155 1HD LYS 20 HD2 LYS 20 4.677 -5.038 6.237 156 2HD LYS 20 HD1 LYS 20 3.788 -4.973 4.715 157 1HE LYS 20 HE2 LYS 20 4.917 -6.963 3.894 158 2HE LYS 20 HE1 LYS 20 5.994 -6.980 5.304 159 1HZ LYS 20 HZ1 LYS 20 3.032 -7.253 5.341 160 2HZ LYS 20 HZ2 LYS 20 4.005 -7.125 6.728 161 3HZ LYS 20 HZ3 LYS 20 4.158 -8.469 5.700 162 H THR 21 HN THR 21 5.910 -3.063 0.267 163 HA THR 21 HA THR 21 8.603 -4.191 -0.200 164 HB THR 21 HB THR 21 6.424 -5.094 -1.148 165 HG1 THR 21 HG1 THR 21 7.997 -5.894 -2.292 166 1HG2 THR 21 HG21 THR 21 5.635 -3.945 -3.247 167 2HG2 THR 21 HG22 THR 21 6.644 -2.568 -2.808 168 3HG2 THR 21 HG23 THR 21 5.304 -3.048 -1.766 169 H TRP 22 HN TRP 22 6.878 -1.162 -0.744 170 HA TRP 22 HA TRP 22 8.534 0.007 -2.760 171 1HB TRP 22 HB2 TRP 22 6.322 0.804 -1.723 172 2HB TRP 22 HB1 TRP 22 7.285 1.420 -0.384 173 HD1 TRP 22 HD1 TRP 22 6.292 2.169 -3.930 174 HE1 TRP 22 HE1 TRP 22 7.354 4.399 -4.675 175 HE3 TRP 22 HE3 TRP 22 9.499 2.969 -0.036 176 HZ2 TRP 22 HZ2 TRP 22 9.302 6.272 -3.743 177 HZ3 TRP 22 HZ3 TRP 22 10.944 4.981 0.010 178 HH2 TRP 22 HH2 TRP 22 10.849 6.632 -1.837 179 H LEU 23 HN LEU 23 8.716 0.253 0.799 180 HA LEU 23 HA LEU 23 11.167 1.729 0.940 181 1HB LEU 23 HB2 LEU 23 9.269 0.417 2.668 182 2HB LEU 23 HB1 LEU 23 10.900 -0.006 3.189 183 HG LEU 23 HG LEU 23 11.482 2.446 3.111 184 1HD1 LEU 23 HD11 LEU 23 8.713 2.526 2.107 185 2HD1 LEU 23 HD12 LEU 23 10.014 3.701 1.914 186 3HD1 LEU 23 HD13 LEU 23 9.041 3.696 3.386 187 1HD2 LEU 23 HD21 LEU 23 9.206 1.584 4.926 188 2HD2 LEU 23 HD22 LEU 23 10.226 2.997 5.201 189 3HD2 LEU 23 HD23 LEU 23 10.930 1.380 5.240 190 H LYS 24 HN LYS 24 10.515 -1.781 0.856 191 HA LYS 24 HA LYS 24 13.205 -2.678 1.327 192 1HB LYS 24 HB2 LYS 24 10.647 -3.747 0.217 193 2HB LYS 24 HB1 LYS 24 12.114 -4.651 -0.156 194 1HG LYS 24 HG2 LYS 24 12.572 -4.321 2.440 195 2HG LYS 24 HG1 LYS 24 10.816 -4.154 2.495 196 1HD LYS 24 HD2 LYS 24 10.447 -6.335 1.767 197 2HD LYS 24 HD1 LYS 24 12.006 -6.435 0.951 198 1HE LYS 24 HE2 LYS 24 12.479 -7.729 2.824 199 2HE LYS 24 HE1 LYS 24 12.900 -6.133 3.475 200 1HZ LYS 24 HZ1 LYS 24 11.339 -7.275 4.936 201 2HZ LYS 24 HZ2 LYS 24 10.226 -7.431 3.662 202 3HZ LYS 24 HZ3 LYS 24 10.623 -5.891 4.265 203 H ALA 25 HN ALA 25 11.423 -1.888 -1.667 204 HA ALA 25 HA ALA 25 13.453 -2.683 -3.532 205 1HB ALA 25 HB1 ALA 25 12.120 -1.382 -5.089 206 2HB ALA 25 HB2 ALA 25 11.416 -0.445 -3.772 207 3HB ALA 25 HB3 ALA 25 11.014 -2.153 -3.953 208 H LYS 26 HN LYS 26 12.962 0.295 -1.664 209 HA LYS 26 HA LYS 26 14.943 1.876 -3.090 210 1HB LYS 26 HB2 LYS 26 12.908 2.356 -1.341 211 2HB LYS 26 HB1 LYS 26 14.291 2.465 -0.252 212 1HG LYS 26 HG2 LYS 26 14.891 3.845 -2.715 213 2HG LYS 26 HG1 LYS 26 13.368 4.442 -2.057 214 1HD LYS 26 HD2 LYS 26 14.528 4.681 0.177 215 2HD LYS 26 HD1 LYS 26 16.045 4.313 -0.644 216 1HE LYS 26 HE2 LYS 26 14.402 6.429 -1.931 217 2HE LYS 26 HE1 LYS 26 15.101 6.852 -0.356 218 1HZ LYS 26 HZ1 LYS 26 16.581 5.689 -2.663 219 2HZ LYS 26 HZ2 LYS 26 17.252 6.036 -1.139 220 3HZ LYS 26 HZ3 LYS 26 16.685 7.296 -2.128 221 H LEU 27 HN LEU 27 14.992 -0.141 -0.138 222 HA LEU 27 HA LEU 27 17.968 -0.183 -0.300 223 1HB LEU 27 HB2 LEU 27 18.096 0.338 2.117 224 2HB LEU 27 HB1 LEU 27 17.307 1.638 1.227 225 HG LEU 27 HG LEU 27 15.263 -0.187 1.979 226 1HD1 LEU 27 HD11 LEU 27 15.520 -0.130 4.456 227 2HD1 LEU 27 HD12 LEU 27 17.142 0.533 4.249 228 3HD1 LEU 27 HD13 LEU 27 16.774 -1.093 3.675 229 1HD2 LEU 27 HD21 LEU 27 16.033 2.505 3.153 230 2HD2 LEU 27 HD22 LEU 27 14.441 1.751 3.242 231 3HD2 LEU 27 HD23 LEU 27 15.083 2.274 1.685 232 H MET 28 HN MET 28 18.705 -2.246 -0.033 233 HA MET 28 HA MET 28 17.108 -4.182 1.585 234 1HB MET 28 HB2 MET 28 17.352 -4.036 -1.294 235 2HB MET 28 HB1 MET 28 18.071 -5.540 -0.716 236 1HG MET 28 HG2 MET 28 15.985 -5.961 0.612 237 2HG MET 28 HG1 MET 28 15.270 -4.534 -0.139 238 1HE MET 28 HE1 MET 28 15.721 -5.179 -3.807 239 2HE MET 28 HE2 MET 28 15.667 -4.051 -2.454 240 3HE MET 28 HE3 MET 28 14.183 -4.821 -3.010 241 HA PRO 29 HA PRO 29 21.644 -4.425 2.421 242 1HB PRO 29 HB2 PRO 29 21.402 -4.593 5.141 243 2HB PRO 29 HB1 PRO 29 21.463 -3.052 4.266 244 1HG PRO 29 HG2 PRO 29 19.125 -4.497 5.395 245 2HG PRO 29 HG1 PRO 29 19.447 -2.759 5.314 246 1HD PRO 29 HD2 PRO 29 17.749 -4.091 3.622 247 2HD PRO 29 HD1 PRO 29 18.567 -2.566 3.219 248 H GLN 30 HN GLN 30 22.676 -6.148 4.106 249 HA GLN 30 HA GLN 30 21.504 -8.764 3.361 250 1HB GLN 30 HB2 GLN 30 24.087 -7.641 3.789 251 2HB GLN 30 HB1 GLN 30 23.872 -8.910 4.995 252 1HG GLN 30 HG2 GLN 30 23.242 -10.503 3.230 253 2HG GLN 30 HG1 GLN 30 23.416 -9.238 2.014 254 1HE2 GLN 30 HE21 GLN 30 25.158 -11.572 3.933 255 2HE2 GLN 30 HE22 GLN 30 26.711 -11.168 3.378 256 H LEU 31 HN LEU 31 21.768 -10.494 5.233 257 HA LEU 31 HA LEU 31 21.037 -9.401 7.902 258 1HB LEU 31 HB2 LEU 31 19.127 -10.070 6.022 259 2HB LEU 31 HB1 LEU 31 19.272 -11.561 6.952 260 HG LEU 31 HG LEU 31 19.212 -9.141 8.621 261 1HD1 LEU 31 HD11 LEU 31 16.717 -9.934 7.089 262 2HD1 LEU 31 HD12 LEU 31 17.675 -8.492 6.745 263 3HD1 LEU 31 HD13 LEU 31 16.853 -8.656 8.298 264 1HD2 LEU 31 HD21 LEU 31 17.604 -10.526 9.880 265 2HD2 LEU 31 HD22 LEU 31 19.048 -11.457 9.481 266 3HD2 LEU 31 HD23 LEU 31 17.564 -11.691 8.556 Start of MODEL 6 1 1H SER 1 HT1 SER 1 -24.151 7.024 -7.538 2 2H SER 1 HT2 SER 1 -25.222 5.735 -7.253 3 3H SER 1 HT3 SER 1 -23.548 5.454 -7.324 4 HA SER 1 HA SER 1 -23.215 6.777 -5.311 5 1HB SER 1 HB2 SER 1 -26.236 6.984 -5.520 6 2HB SER 1 HB1 SER 1 -25.274 7.593 -4.176 7 HG SER 1 HG SER 1 -25.596 9.269 -5.609 8 H GLY 2 HN GLY 2 -23.765 5.861 -3.085 9 1HA GLY 2 HA2 GLY 2 -24.985 4.034 -1.868 10 2HA GLY 2 HA1 GLY 2 -24.754 3.042 -3.310 11 H SER 3 HN SER 3 -22.979 1.732 -3.330 12 HA SER 3 HA SER 3 -21.085 1.831 -1.091 13 1HB SER 3 HB2 SER 3 -22.162 -0.152 -2.556 14 2HB SER 3 HB1 SER 3 -20.687 0.089 -3.488 15 HG SER 3 HG SER 3 -21.047 -1.025 -1.028 16 H TRP 4 HN TRP 4 -19.732 3.636 -1.296 17 HA TRP 4 HA TRP 4 -18.192 3.908 -3.859 18 1HB TRP 4 HB2 TRP 4 -19.798 5.711 -2.531 19 2HB TRP 4 HB1 TRP 4 -18.195 6.138 -1.929 20 HD1 TRP 4 HD1 TRP 4 -20.374 6.293 -4.987 21 HE1 TRP 4 HE1 TRP 4 -19.120 7.508 -6.883 22 HE3 TRP 4 HE3 TRP 4 -15.706 6.544 -2.938 23 HZ2 TRP 4 HZ2 TRP 4 -16.484 8.461 -7.455 24 HZ3 TRP 4 HZ3 TRP 4 -13.843 7.609 -4.176 25 HH2 TRP 4 HH2 TRP 4 -14.226 8.566 -6.431 26 H LEU 5 HN LEU 5 -17.945 3.884 -0.304 27 HA LEU 5 HA LEU 5 -15.105 4.354 -0.151 28 1HB LEU 5 HB2 LEU 5 -17.195 3.107 1.649 29 2HB LEU 5 HB1 LEU 5 -15.514 3.272 2.155 30 HG LEU 5 HG LEU 5 -16.996 5.654 1.061 31 1HD1 LEU 5 HD11 LEU 5 -16.958 4.856 3.984 32 2HD1 LEU 5 HD12 LEU 5 -18.339 4.574 2.924 33 3HD1 LEU 5 HD13 LEU 5 -17.805 6.221 3.255 34 1HD2 LEU 5 HD21 LEU 5 -14.772 5.318 3.103 35 2HD2 LEU 5 HD22 LEU 5 -15.389 6.853 2.492 36 3HD2 LEU 5 HD23 LEU 5 -14.539 5.751 1.410 37 H ARG 6 HN ARG 6 -17.019 1.475 -0.815 38 HA ARG 6 HA ARG 6 -15.257 -0.605 -0.085 39 1HB ARG 6 HB2 ARG 6 -17.673 -0.449 -1.216 40 2HB ARG 6 HB1 ARG 6 -16.736 -0.719 -2.687 41 1HG ARG 6 HG2 ARG 6 -15.890 -2.796 -1.894 42 2HG ARG 6 HG1 ARG 6 -16.407 -2.462 -0.240 43 1HD ARG 6 HD2 ARG 6 -18.796 -2.505 -1.035 44 2HD ARG 6 HD1 ARG 6 -18.205 -3.029 -2.625 45 HE ARG 6 HE ARG 6 -17.622 -4.566 -0.116 46 1HH1 ARG 6 HH11 ARG 6 -16.392 -5.022 -2.959 47 2HH1 ARG 6 HH12 ARG 6 -17.298 -6.413 -3.452 48 1HH2 ARG 6 HH21 ARG 6 -19.690 -6.063 -0.954 49 2HH2 ARG 6 HH22 ARG 6 -19.172 -7.006 -2.312 50 H ASP 7 HN ASP 7 -15.364 1.203 -3.190 51 HA ASP 7 HA ASP 7 -13.197 -0.147 -4.474 52 1HB ASP 7 HB2 ASP 7 -14.857 1.357 -5.551 53 2HB ASP 7 HB1 ASP 7 -14.148 2.732 -4.703 54 H ILE 8 HN ILE 8 -13.251 2.590 -2.206 55 HA ILE 8 HA ILE 8 -10.395 3.166 -2.479 56 HB ILE 8 HB ILE 8 -12.492 3.973 -0.432 57 1HG1 ILE 8 HG12 ILE 8 -11.450 5.864 -2.480 58 2HG1 ILE 8 HG11 ILE 8 -12.507 4.586 -3.077 59 1HG2 ILE 8 HG21 ILE 8 -9.620 4.708 -0.840 60 2HG2 ILE 8 HG22 ILE 8 -10.535 4.548 0.659 61 3HG2 ILE 8 HG23 ILE 8 -10.738 5.980 -0.348 62 1HD1 ILE 8 HD11 ILE 8 -14.335 5.345 -1.880 63 2HD1 ILE 8 HD12 ILE 8 -13.511 6.875 -2.174 64 3HD1 ILE 8 HD13 ILE 8 -13.341 6.067 -0.616 65 H TRP 9 HN TRP 9 -12.447 1.346 -0.189 66 HA TRP 9 HA TRP 9 -10.575 0.863 1.869 67 1HB TRP 9 HB2 TRP 9 -12.970 0.295 1.946 68 2HB TRP 9 HB1 TRP 9 -12.727 -0.940 0.712 69 HD1 TRP 9 HD1 TRP 9 -13.247 -3.045 2.132 70 HE1 TRP 9 HE1 TRP 9 -12.110 -4.171 4.153 71 HE3 TRP 9 HE3 TRP 9 -9.969 0.640 3.482 72 HZ2 TRP 9 HZ2 TRP 9 -10.083 -3.590 6.082 73 HZ3 TRP 9 HZ3 TRP 9 -8.450 0.324 5.409 74 HH2 TRP 9 HH2 TRP 9 -8.502 -1.784 6.712 75 H ASP 10 HN ASP 10 -11.182 -1.161 -1.045 76 HA ASP 10 HA ASP 10 -9.118 -3.079 -0.545 77 1HB ASP 10 HB2 ASP 10 -10.871 -3.464 -2.172 78 2HB ASP 10 HB1 ASP 10 -10.418 -2.019 -3.077 79 H TRP 11 HN TRP 11 -9.099 -0.002 -2.359 80 HA TRP 11 HA TRP 11 -6.417 -0.083 -3.325 81 1HB TRP 11 HB2 TRP 11 -8.187 1.498 -4.032 82 2HB TRP 11 HB1 TRP 11 -8.169 2.240 -2.434 83 HD1 TRP 11 HD1 TRP 11 -6.155 1.985 -5.654 84 HE1 TRP 11 HE1 TRP 11 -4.334 3.811 -5.647 85 HE3 TRP 11 HE3 TRP 11 -6.663 3.718 -0.879 86 HZ2 TRP 11 HZ2 TRP 11 -3.239 5.751 -3.850 87 HZ3 TRP 11 HZ3 TRP 11 -5.221 5.553 -0.045 88 HH2 TRP 11 HH2 TRP 11 -3.510 6.570 -1.523 89 H ILE 12 HN ILE 12 -7.756 1.103 -0.228 90 HA ILE 12 HA ILE 12 -5.331 2.164 0.872 91 HB ILE 12 HB ILE 12 -7.847 0.952 2.064 92 1HG1 ILE 12 HG12 ILE 12 -7.014 3.842 2.159 93 2HG1 ILE 12 HG11 ILE 12 -7.732 3.191 0.685 94 1HG2 ILE 12 HG21 ILE 12 -6.453 0.749 3.906 95 2HG2 ILE 12 HG22 ILE 12 -6.963 2.427 4.093 96 3HG2 ILE 12 HG23 ILE 12 -5.392 2.056 3.381 97 1HD1 ILE 12 HD11 ILE 12 -9.334 4.227 2.431 98 2HD1 ILE 12 HD12 ILE 12 -9.033 2.769 3.376 99 3HD1 ILE 12 HD13 ILE 12 -9.760 2.647 1.774 100 H CYS 13 HN CYS 13 -6.666 -1.126 0.772 101 HA CYS 13 HA CYS 13 -4.758 -2.331 2.585 102 1HB CYS 13 HB2 CYS 13 -7.048 -3.170 1.810 103 2HB CYS 13 HB1 CYS 13 -6.267 -3.625 0.296 104 HG CYS 13 HG CYS 13 -4.802 -5.333 1.581 105 H GLU 14 HN GLU 14 -4.880 -1.920 -0.969 106 HA GLU 14 HA GLU 14 -2.516 -3.453 -1.566 107 1HB GLU 14 HB2 GLU 14 -4.464 -1.721 -2.870 108 2HB GLU 14 HB1 GLU 14 -2.844 -1.458 -3.511 109 1HG GLU 14 HG2 GLU 14 -3.494 -3.233 -4.842 110 2HG GLU 14 HG1 GLU 14 -2.791 -4.124 -3.492 111 H VAL 15 HN VAL 15 -3.068 -0.047 -0.794 112 HA VAL 15 HA VAL 15 -0.402 0.909 -1.340 113 HB VAL 15 HB VAL 15 -2.670 1.843 0.454 114 1HG1 VAL 15 HG11 VAL 15 -1.520 4.016 0.540 115 2HG1 VAL 15 HG12 VAL 15 -0.167 3.349 -0.371 116 3HG1 VAL 15 HG13 VAL 15 -0.511 2.759 1.254 117 1HG2 VAL 15 HG21 VAL 15 -1.823 3.317 -1.983 118 2HG2 VAL 15 HG22 VAL 15 -3.444 3.001 -1.366 119 3HG2 VAL 15 HG23 VAL 15 -2.581 1.747 -2.256 120 H LEU 16 HN LEU 16 -1.911 -0.662 1.446 121 HA LEU 16 HA LEU 16 0.239 -0.100 3.326 122 1HB LEU 16 HB2 LEU 16 -2.238 -0.680 3.738 123 2HB LEU 16 HB1 LEU 16 -1.781 -2.352 3.414 124 HG LEU 16 HG LEU 16 0.074 -1.981 5.182 125 1HD1 LEU 16 HD11 LEU 16 -0.585 -0.261 6.895 126 2HD1 LEU 16 HD12 LEU 16 -1.783 0.349 5.753 127 3HD1 LEU 16 HD13 LEU 16 -0.065 0.435 5.360 128 1HD2 LEU 16 HD21 LEU 16 -1.923 -3.395 5.536 129 2HD2 LEU 16 HD22 LEU 16 -2.848 -1.970 6.011 130 3HD2 LEU 16 HD23 LEU 16 -1.501 -2.519 7.007 131 H SER 17 HN SER 17 -0.696 -2.972 1.379 132 HA SER 17 HA SER 17 1.499 -4.634 2.245 133 1HB SER 17 HB2 SER 17 0.840 -5.903 0.135 134 2HB SER 17 HB1 SER 17 -0.480 -5.595 1.259 135 HG SER 17 HG SER 17 0.077 -4.453 -1.240 136 H ASP 18 HN ASP 18 1.056 -2.429 -0.525 137 HA ASP 18 HA ASP 18 3.616 -3.004 -1.760 138 1HB ASP 18 HB2 ASP 18 1.611 -2.038 -2.892 139 2HB ASP 18 HB1 ASP 18 1.800 -0.572 -1.931 140 H PHE 19 HN PHE 19 2.500 -0.710 0.708 141 HA PHE 19 HA PHE 19 4.603 1.151 0.792 142 1HB PHE 19 HB2 PHE 19 2.413 0.385 2.347 143 2HB PHE 19 HB1 PHE 19 3.786 0.172 3.428 144 HD1 PHE 19 HD1 PHE 19 5.471 2.108 3.631 145 HD2 PHE 19 HD2 PHE 19 1.559 2.545 1.909 146 HE1 PHE 19 HE1 PHE 19 5.593 4.560 3.976 147 HE2 PHE 19 HE2 PHE 19 1.683 4.996 2.253 148 HZ PHE 19 HZ PHE 19 3.698 6.005 3.287 149 H LYS 20 HN LYS 20 4.459 -2.072 2.344 150 HA LYS 20 HA LYS 20 7.033 -1.958 3.602 151 1HB LYS 20 HB2 LYS 20 4.964 -3.563 3.841 152 2HB LYS 20 HB1 LYS 20 5.775 -4.496 2.582 153 1HG LYS 20 HG2 LYS 20 6.595 -5.407 4.614 154 2HG LYS 20 HG1 LYS 20 7.879 -4.331 4.064 155 1HD LYS 20 HD2 LYS 20 6.327 -2.609 5.526 156 2HD LYS 20 HD1 LYS 20 6.122 -4.111 6.427 157 1HE LYS 20 HE2 LYS 20 8.175 -3.841 7.340 158 2HE LYS 20 HE1 LYS 20 8.900 -3.853 5.721 159 1HZ LYS 20 HZ1 LYS 20 7.566 -1.486 6.932 160 2HZ LYS 20 HZ2 LYS 20 8.429 -1.535 5.467 161 3HZ LYS 20 HZ3 LYS 20 9.243 -1.732 6.945 162 H THR 21 HN THR 21 6.041 -3.410 0.451 163 HA THR 21 HA THR 21 8.725 -4.234 -0.255 164 HB THR 21 HB THR 21 7.587 -4.303 -2.591 165 HG1 THR 21 HG1 THR 21 5.326 -4.110 -2.474 166 1HG2 THR 21 HG21 THR 21 7.824 -6.246 -1.068 167 2HG2 THR 21 HG22 THR 21 6.307 -6.295 -1.967 168 3HG2 THR 21 HG23 THR 21 6.314 -5.790 -0.277 169 H TRP 22 HN TRP 22 6.818 -1.291 -0.864 170 HA TRP 22 HA TRP 22 8.526 -0.013 -2.757 171 1HB TRP 22 HB2 TRP 22 6.194 0.615 -1.808 172 2HB TRP 22 HB1 TRP 22 7.079 1.373 -0.489 173 HD1 TRP 22 HD1 TRP 22 6.175 1.812 -4.123 174 HE1 TRP 22 HE1 TRP 22 7.065 4.085 -4.961 175 HE3 TRP 22 HE3 TRP 22 9.078 3.149 -0.139 176 HZ2 TRP 22 HZ2 TRP 22 8.778 6.189 -4.059 177 HZ3 TRP 22 HZ3 TRP 22 10.325 5.291 -0.154 178 HH2 TRP 22 HH2 TRP 22 10.179 6.810 -2.108 179 H LEU 23 HN LEU 23 8.487 0.169 0.808 180 HA LEU 23 HA LEU 23 10.773 1.852 1.140 181 1HB LEU 23 HB2 LEU 23 9.011 0.139 2.721 182 2HB LEU 23 HB1 LEU 23 10.667 0.105 3.329 183 HG LEU 23 HG LEU 23 10.453 2.746 2.936 184 1HD1 LEU 23 HD11 LEU 23 8.102 2.439 2.059 185 2HD1 LEU 23 HD12 LEU 23 8.233 3.561 3.414 186 3HD1 LEU 23 HD13 LEU 23 7.632 1.924 3.680 187 1HD2 LEU 23 HD21 LEU 23 11.012 1.645 5.066 188 2HD2 LEU 23 HD22 LEU 23 9.313 1.240 5.314 189 3HD2 LEU 23 HD23 LEU 23 9.829 2.926 5.330 190 H LYS 24 HN LYS 24 10.488 -1.665 0.683 191 HA LYS 24 HA LYS 24 13.239 -2.289 1.324 192 1HB LYS 24 HB2 LYS 24 11.061 -3.741 1.118 193 2HB LYS 24 HB1 LYS 24 11.503 -3.843 -0.587 194 1HG LYS 24 HG2 LYS 24 13.852 -4.528 0.287 195 2HG LYS 24 HG1 LYS 24 13.028 -4.841 1.814 196 1HD LYS 24 HD2 LYS 24 11.430 -5.998 -0.229 197 2HD LYS 24 HD1 LYS 24 13.097 -6.476 -0.552 198 1HE LYS 24 HE2 LYS 24 12.999 -6.841 2.156 199 2HE LYS 24 HE1 LYS 24 11.330 -7.241 1.701 200 1HZ LYS 24 HZ1 LYS 24 12.804 -9.168 1.481 201 2HZ LYS 24 HZ2 LYS 24 13.773 -8.311 0.379 202 3HZ LYS 24 HZ3 LYS 24 12.168 -8.703 -0.021 203 H ALA 25 HN ALA 25 11.747 -0.826 -1.442 204 HA ALA 25 HA ALA 25 14.070 -1.495 -3.198 205 1HB ALA 25 HB1 ALA 25 12.234 -1.864 -4.505 206 2HB ALA 25 HB2 ALA 25 12.251 -0.113 -4.715 207 3HB ALA 25 HB3 ALA 25 11.199 -0.846 -3.503 208 H LYS 26 HN LYS 26 12.385 1.239 -1.667 209 HA LYS 26 HA LYS 26 14.359 3.127 -2.896 210 1HB LYS 26 HB2 LYS 26 11.526 3.179 -2.083 211 2HB LYS 26 HB1 LYS 26 12.430 4.623 -1.627 212 1HG LYS 26 HG2 LYS 26 11.616 5.082 -3.810 213 2HG LYS 26 HG1 LYS 26 13.308 4.639 -4.041 214 1HD LYS 26 HD2 LYS 26 11.677 2.259 -4.076 215 2HD LYS 26 HD1 LYS 26 11.037 3.429 -5.228 216 1HE LYS 26 HE2 LYS 26 14.005 2.876 -5.133 217 2HE LYS 26 HE1 LYS 26 12.918 1.815 -6.051 218 1HZ LYS 26 HZ1 LYS 26 12.901 4.776 -6.295 219 2HZ LYS 26 HZ2 LYS 26 12.097 3.652 -7.286 220 3HZ LYS 26 HZ3 LYS 26 13.792 3.768 -7.329 221 H LEU 27 HN LEU 27 12.998 2.113 0.254 222 HA LEU 27 HA LEU 27 14.631 4.030 1.757 223 1HB LEU 27 HB2 LEU 27 12.332 2.475 2.156 224 2HB LEU 27 HB1 LEU 27 13.525 1.786 3.255 225 HG LEU 27 HG LEU 27 12.270 3.593 4.359 226 1HD1 LEU 27 HD11 LEU 27 14.124 4.666 5.318 227 2HD1 LEU 27 HD12 LEU 27 15.004 4.719 3.791 228 3HD1 LEU 27 HD13 LEU 27 14.832 3.193 4.658 229 1HD2 LEU 27 HD21 LEU 27 11.923 4.815 2.099 230 2HD2 LEU 27 HD22 LEU 27 13.507 5.529 2.399 231 3HD2 LEU 27 HD23 LEU 27 12.186 5.807 3.533 232 H MET 28 HN MET 28 14.842 0.574 0.930 233 HA MET 28 HA MET 28 16.875 -0.253 2.715 234 1HB MET 28 HB2 MET 28 15.791 -1.045 0.075 235 2HB MET 28 HB1 MET 28 17.414 -1.641 0.422 236 1HG MET 28 HG2 MET 28 15.557 -1.888 2.692 237 2HG MET 28 HG1 MET 28 15.085 -2.835 1.282 238 1HE MET 28 HE1 MET 28 17.441 -5.606 0.936 239 2HE MET 28 HE2 MET 28 16.691 -4.345 -0.038 240 3HE MET 28 HE3 MET 28 15.736 -5.196 1.174 241 HA PRO 29 HA PRO 29 20.180 1.174 -0.453 242 1HB PRO 29 HB2 PRO 29 19.402 2.816 -2.501 243 2HB PRO 29 HB1 PRO 29 19.424 1.047 -2.630 244 1HG PRO 29 HG2 PRO 29 17.134 2.884 -2.166 245 2HG PRO 29 HG1 PRO 29 17.214 1.399 -3.127 246 1HD PRO 29 HD2 PRO 29 16.108 1.539 -0.633 247 2HD PRO 29 HD1 PRO 29 16.803 0.058 -1.325 248 H GLN 30 HN GLN 30 21.103 3.515 -1.122 249 HA GLN 30 HA GLN 30 19.968 5.556 0.768 250 1HB GLN 30 HB2 GLN 30 22.788 4.542 0.352 251 2HB GLN 30 HB1 GLN 30 22.474 6.100 1.116 252 1HG GLN 30 HG2 GLN 30 20.723 4.429 2.447 253 2HG GLN 30 HG1 GLN 30 22.124 3.389 2.193 254 1HE2 GLN 30 HE21 GLN 30 20.935 6.167 3.963 255 2HE2 GLN 30 HE22 GLN 30 22.351 6.450 4.855 256 H LEU 31 HN LEU 31 19.465 5.443 -2.081 257 HA LEU 31 HA LEU 31 20.629 8.059 -2.868 258 1HB LEU 31 HB2 LEU 31 21.923 5.810 -3.610 259 2HB LEU 31 HB1 LEU 31 20.736 5.887 -4.912 260 HG LEU 31 HG LEU 31 22.202 8.395 -4.187 261 1HD1 LEU 31 HD11 LEU 31 23.359 6.131 -5.844 262 2HD1 LEU 31 HD12 LEU 31 23.996 6.731 -4.312 263 3HD1 LEU 31 HD13 LEU 31 24.032 7.758 -5.745 264 1HD2 LEU 31 HD21 LEU 31 21.172 7.147 -6.755 265 2HD2 LEU 31 HD22 LEU 31 22.003 8.700 -6.670 266 3HD2 LEU 31 HD23 LEU 31 20.445 8.490 -5.873 Start of MODEL 7 1 1H SER 1 HT1 SER 1 -28.508 3.346 -2.718 2 2H SER 1 HT2 SER 1 -27.321 4.468 -3.189 3 3H SER 1 HT3 SER 1 -27.643 4.210 -1.541 4 HA SER 1 HA SER 1 -26.786 1.957 -1.675 5 1HB SER 1 HB2 SER 1 -26.326 2.724 -4.578 6 2HB SER 1 HB1 SER 1 -25.941 1.170 -3.845 7 HG SER 1 HG SER 1 -27.946 1.056 -4.875 8 H GLY 2 HN GLY 2 -24.848 2.119 -0.616 9 1HA GLY 2 HA2 GLY 2 -22.952 4.270 -1.462 10 2HA GLY 2 HA1 GLY 2 -23.038 3.594 0.166 11 H SER 3 HN SER 3 -22.194 2.762 -3.193 12 HA SER 3 HA SER 3 -20.568 0.466 -2.185 13 1HB SER 3 HB2 SER 3 -22.371 0.686 -4.225 14 2HB SER 3 HB1 SER 3 -20.866 0.994 -5.087 15 HG SER 3 HG SER 3 -21.427 -1.252 -4.940 16 H TRP 4 HN TRP 4 -19.531 3.065 -1.661 17 HA TRP 4 HA TRP 4 -17.335 3.358 -3.681 18 1HB TRP 4 HB2 TRP 4 -19.124 5.158 -2.356 19 2HB TRP 4 HB1 TRP 4 -17.488 5.521 -1.809 20 HD1 TRP 4 HD1 TRP 4 -19.297 4.843 -5.168 21 HE1 TRP 4 HE1 TRP 4 -18.239 6.358 -6.967 22 HE3 TRP 4 HE3 TRP 4 -15.657 7.107 -2.388 23 HZ2 TRP 4 HZ2 TRP 4 -16.128 8.274 -7.196 24 HZ3 TRP 4 HZ3 TRP 4 -14.139 8.769 -3.421 25 HH2 TRP 4 HH2 TRP 4 -14.369 9.356 -5.819 26 H LEU 5 HN LEU 5 -18.053 2.732 -0.285 27 HA LEU 5 HA LEU 5 -15.501 3.252 0.877 28 1HB LEU 5 HB2 LEU 5 -17.836 2.646 1.880 29 2HB LEU 5 HB1 LEU 5 -17.310 0.975 1.684 30 HG LEU 5 HG LEU 5 -15.456 2.921 3.016 31 1HD1 LEU 5 HD11 LEU 5 -17.664 3.247 4.108 32 2HD1 LEU 5 HD12 LEU 5 -16.503 2.472 5.187 33 3HD1 LEU 5 HD13 LEU 5 -17.757 1.510 4.402 34 1HD2 LEU 5 HD21 LEU 5 -15.068 0.739 4.361 35 2HD2 LEU 5 HD22 LEU 5 -14.518 0.770 2.686 36 3HD2 LEU 5 HD23 LEU 5 -16.025 -0.045 3.103 37 H ARG 6 HN ARG 6 -16.798 0.284 -0.654 38 HA ARG 6 HA ARG 6 -14.558 -1.420 -0.145 39 1HB ARG 6 HB2 ARG 6 -16.865 -2.038 -0.962 40 2HB ARG 6 HB1 ARG 6 -16.427 -1.387 -2.540 41 1HG ARG 6 HG2 ARG 6 -15.745 -3.520 -2.962 42 2HG ARG 6 HG1 ARG 6 -14.304 -3.037 -2.069 43 1HD ARG 6 HD2 ARG 6 -16.552 -3.933 -0.359 44 2HD ARG 6 HD1 ARG 6 -15.851 -5.195 -1.392 45 HE ARG 6 HE ARG 6 -13.612 -3.954 -0.402 46 1HH1 ARG 6 HH11 ARG 6 -14.733 -6.670 0.533 47 2HH1 ARG 6 HH12 ARG 6 -14.757 -6.433 2.249 48 1HH2 ARG 6 HH21 ARG 6 -14.393 -2.980 2.039 49 2HH2 ARG 6 HH22 ARG 6 -14.563 -4.335 3.104 50 H ASP 7 HN ASP 7 -15.228 0.866 -2.800 51 HA ASP 7 HA ASP 7 -12.983 0.195 -4.461 52 1HB ASP 7 HB2 ASP 7 -14.886 1.451 -5.277 53 2HB ASP 7 HB1 ASP 7 -14.642 2.706 -4.063 54 H ILE 8 HN ILE 8 -13.361 2.557 -1.802 55 HA ILE 8 HA ILE 8 -10.625 3.581 -2.113 56 HB ILE 8 HB ILE 8 -12.849 3.970 -0.083 57 1HG1 ILE 8 HG12 ILE 8 -11.737 5.933 -2.101 58 2HG1 ILE 8 HG11 ILE 8 -13.052 4.828 -2.503 59 1HG2 ILE 8 HG21 ILE 8 -10.034 4.985 -0.170 60 2HG2 ILE 8 HG22 ILE 8 -11.040 4.588 1.223 61 3HG2 ILE 8 HG23 ILE 8 -11.299 6.098 0.351 62 1HD1 ILE 8 HD11 ILE 8 -14.521 5.812 -0.953 63 2HD1 ILE 8 HD12 ILE 8 -13.661 7.200 -1.618 64 3HD1 ILE 8 HD13 ILE 8 -13.208 6.556 -0.040 65 H TRP 9 HN TRP 9 -12.356 1.590 0.335 66 HA TRP 9 HA TRP 9 -10.147 1.180 2.091 67 1HB TRP 9 HB2 TRP 9 -12.617 0.701 2.443 68 2HB TRP 9 HB1 TRP 9 -12.397 -0.757 1.474 69 HD1 TRP 9 HD1 TRP 9 -12.167 -2.767 3.006 70 HE1 TRP 9 HE1 TRP 9 -10.958 -3.276 5.223 71 HE3 TRP 9 HE3 TRP 9 -10.208 1.839 4.025 72 HZ2 TRP 9 HZ2 TRP 9 -9.369 -1.912 7.172 73 HZ3 TRP 9 HZ3 TRP 9 -8.853 2.206 6.066 74 HH2 TRP 9 HH2 TRP 9 -8.431 0.337 7.640 75 H ASP 10 HN ASP 10 -11.202 -0.685 -0.775 76 HA ASP 10 HA ASP 10 -9.359 -2.857 -0.527 77 1HB ASP 10 HB2 ASP 10 -11.357 -2.658 -2.050 78 2HB ASP 10 HB1 ASP 10 -10.428 -1.536 -3.045 79 H TRP 11 HN TRP 11 -9.054 0.281 -2.239 80 HA TRP 11 HA TRP 11 -6.395 -0.180 -3.247 81 1HB TRP 11 HB2 TRP 11 -8.074 1.527 -4.027 82 2HB TRP 11 HB1 TRP 11 -7.774 2.434 -2.544 83 HD1 TRP 11 HD1 TRP 11 -5.896 1.148 -5.655 84 HE1 TRP 11 HE1 TRP 11 -3.884 2.701 -6.084 85 HE3 TRP 11 HE3 TRP 11 -6.250 4.198 -1.575 86 HZ2 TRP 11 HZ2 TRP 11 -2.596 4.945 -4.861 87 HZ3 TRP 11 HZ3 TRP 11 -4.621 6.033 -1.231 88 HH2 TRP 11 HH2 TRP 11 -2.795 6.409 -2.867 89 H ILE 12 HN ILE 12 -7.627 1.251 -0.214 90 HA ILE 12 HA ILE 12 -5.166 2.279 0.807 91 HB ILE 12 HB ILE 12 -7.716 1.188 2.022 92 1HG1 ILE 12 HG12 ILE 12 -6.556 3.984 2.095 93 2HG1 ILE 12 HG11 ILE 12 -7.565 3.420 0.764 94 1HG2 ILE 12 HG21 ILE 12 -6.208 0.746 3.785 95 2HG2 ILE 12 HG22 ILE 12 -6.812 2.360 4.157 96 3HG2 ILE 12 HG23 ILE 12 -5.223 2.162 3.417 97 1HD1 ILE 12 HD11 ILE 12 -8.416 3.315 3.671 98 2HD1 ILE 12 HD12 ILE 12 -9.419 3.003 2.255 99 3HD1 ILE 12 HD13 ILE 12 -8.834 4.635 2.578 100 H CYS 13 HN CYS 13 -6.587 -0.986 0.924 101 HA CYS 13 HA CYS 13 -4.506 -2.144 2.597 102 1HB CYS 13 HB2 CYS 13 -6.840 -3.000 2.332 103 2HB CYS 13 HB1 CYS 13 -6.478 -3.402 0.653 104 HG CYS 13 HG CYS 13 -4.805 -5.209 1.464 105 H GLU 14 HN GLU 14 -5.089 -1.859 -0.904 106 HA GLU 14 HA GLU 14 -2.989 -3.560 -1.842 107 1HB GLU 14 HB2 GLU 14 -5.022 -2.048 -2.898 108 2HB GLU 14 HB1 GLU 14 -3.610 -1.112 -3.380 109 1HG GLU 14 HG2 GLU 14 -3.689 -4.097 -3.793 110 2HG GLU 14 HG1 GLU 14 -4.416 -3.001 -4.969 111 H VAL 15 HN VAL 15 -3.059 -0.100 -1.063 112 HA VAL 15 HA VAL 15 -0.329 0.468 -1.826 113 HB VAL 15 HB VAL 15 -2.256 1.800 0.113 114 1HG1 VAL 15 HG11 VAL 15 0.478 2.526 -0.866 115 2HG1 VAL 15 HG12 VAL 15 -0.263 2.814 0.708 116 3HG1 VAL 15 HG13 VAL 15 -0.703 3.821 -0.671 117 1HG2 VAL 15 HG21 VAL 15 -2.331 1.537 -2.691 118 2HG2 VAL 15 HG22 VAL 15 -1.732 3.170 -2.395 119 3HG2 VAL 15 HG23 VAL 15 -3.275 2.658 -1.710 120 H LEU 16 HN LEU 16 -1.868 -0.603 1.200 121 HA LEU 16 HA LEU 16 0.301 -0.239 3.002 122 1HB LEU 16 HB2 LEU 16 -2.147 -0.914 3.396 123 2HB LEU 16 HB1 LEU 16 -1.650 -2.556 2.991 124 HG LEU 16 HG LEU 16 0.161 -2.301 4.778 125 1HD1 LEU 16 HD11 LEU 16 -0.494 -0.584 6.552 126 2HD1 LEU 16 HD12 LEU 16 -1.530 0.148 5.326 127 3HD1 LEU 16 HD13 LEU 16 0.215 0.072 5.077 128 1HD2 LEU 16 HD21 LEU 16 -1.837 -3.646 5.173 129 2HD2 LEU 16 HD22 LEU 16 -2.769 -2.200 5.561 130 3HD2 LEU 16 HD23 LEU 16 -1.468 -2.724 6.630 131 H SER 17 HN SER 17 -0.558 -3.165 1.088 132 HA SER 17 HA SER 17 1.734 -4.716 1.858 133 1HB SER 17 HB2 SER 17 1.112 -5.956 -0.293 134 2HB SER 17 HB1 SER 17 -0.189 -5.774 0.878 135 HG SER 17 HG SER 17 0.254 -4.412 -1.554 136 H ASP 18 HN ASP 18 1.147 -2.449 -0.825 137 HA ASP 18 HA ASP 18 3.650 -2.864 -2.192 138 1HB ASP 18 HB2 ASP 18 1.967 -1.797 -3.432 139 2HB ASP 18 HB1 ASP 18 1.488 -0.771 -2.083 140 H PHE 19 HN PHE 19 2.604 -0.519 0.309 141 HA PHE 19 HA PHE 19 4.940 1.061 0.501 142 1HB PHE 19 HB2 PHE 19 2.528 0.594 1.918 143 2HB PHE 19 HB1 PHE 19 3.824 0.439 3.101 144 HD1 PHE 19 HD1 PHE 19 2.445 2.679 0.457 145 HD2 PHE 19 HD2 PHE 19 4.994 2.344 3.900 146 HE1 PHE 19 HE1 PHE 19 2.696 5.146 0.513 147 HE2 PHE 19 HE2 PHE 19 5.243 4.811 3.956 148 HZ PHE 19 HZ PHE 19 4.094 6.212 2.262 149 H LYS 20 HN LYS 20 4.225 -2.132 1.895 150 HA LYS 20 HA LYS 20 6.551 -2.384 3.553 151 1HB LYS 20 HB2 LYS 20 4.489 -3.780 3.638 152 2HB LYS 20 HB1 LYS 20 4.921 -4.485 2.080 153 1HG LYS 20 HG2 LYS 20 5.780 -6.069 3.566 154 2HG LYS 20 HG1 LYS 20 7.191 -5.053 3.276 155 1HD LYS 20 HD2 LYS 20 7.277 -4.949 5.551 156 2HD LYS 20 HD1 LYS 20 6.036 -3.713 5.348 157 1HE LYS 20 HE2 LYS 20 4.437 -5.029 6.292 158 2HE LYS 20 HE1 LYS 20 4.939 -6.445 5.349 159 1HZ LYS 20 HZ1 LYS 20 6.774 -6.804 6.812 160 2HZ LYS 20 HZ2 LYS 20 5.384 -6.648 7.776 161 3HZ LYS 20 HZ3 LYS 20 6.480 -5.357 7.647 162 H THR 21 HN THR 21 6.004 -3.014 0.090 163 HA THR 21 HA THR 21 8.742 -4.128 -0.218 164 HB THR 21 HB THR 21 6.792 -3.532 -2.441 165 HG1 THR 21 HG1 THR 21 6.676 -5.746 -0.669 166 1HG2 THR 21 HG21 THR 21 8.647 -5.873 -1.936 167 2HG2 THR 21 HG22 THR 21 9.075 -4.456 -2.894 168 3HG2 THR 21 HG23 THR 21 7.774 -5.519 -3.427 169 H TRP 22 HN TRP 22 6.816 -1.307 -1.269 170 HA TRP 22 HA TRP 22 8.723 -0.015 -2.922 171 1HB TRP 22 HB2 TRP 22 6.212 0.473 -2.221 172 2HB TRP 22 HB1 TRP 22 6.969 1.510 -1.017 173 HD1 TRP 22 HD1 TRP 22 6.170 1.295 -4.678 174 HE1 TRP 22 HE1 TRP 22 6.988 3.430 -5.872 175 HE3 TRP 22 HE3 TRP 22 8.937 3.395 -0.935 176 HZ2 TRP 22 HZ2 TRP 22 8.603 5.724 -5.311 177 HZ3 TRP 22 HZ3 TRP 22 10.101 5.553 -1.290 178 HH2 TRP 22 HH2 TRP 22 9.938 6.720 -3.472 179 H LEU 23 HN LEU 23 8.168 0.356 0.594 180 HA LEU 23 HA LEU 23 10.327 2.197 1.069 181 1HB LEU 23 HB2 LEU 23 8.542 0.391 2.639 182 2HB LEU 23 HB1 LEU 23 10.004 0.951 3.445 183 HG LEU 23 HG LEU 23 8.100 2.475 3.867 184 1HD1 LEU 23 HD11 LEU 23 9.923 3.981 2.021 185 2HD1 LEU 23 HD12 LEU 23 10.600 3.207 3.453 186 3HD1 LEU 23 HD13 LEU 23 9.339 4.427 3.624 187 1HD2 LEU 23 HD21 LEU 23 8.184 2.923 0.865 188 2HD2 LEU 23 HD22 LEU 23 7.177 3.807 2.009 189 3HD2 LEU 23 HD23 LEU 23 6.898 2.088 1.736 190 H LYS 24 HN LYS 24 10.147 -1.371 1.152 191 HA LYS 24 HA LYS 24 12.812 -1.823 2.161 192 1HB LYS 24 HB2 LYS 24 10.625 -3.324 1.770 193 2HB LYS 24 HB1 LYS 24 11.470 -3.722 0.274 194 1HG LYS 24 HG2 LYS 24 13.041 -4.955 1.355 195 2HG LYS 24 HG1 LYS 24 13.197 -3.777 2.657 196 1HD LYS 24 HD2 LYS 24 12.290 -5.747 3.664 197 2HD LYS 24 HD1 LYS 24 10.945 -4.616 3.516 198 1HE LYS 24 HE2 LYS 24 11.123 -6.135 1.077 199 2HE LYS 24 HE1 LYS 24 11.103 -7.256 2.452 200 1HZ LYS 24 HZ1 LYS 24 9.215 -6.063 3.367 201 2HZ LYS 24 HZ2 LYS 24 8.849 -6.606 1.800 202 3HZ LYS 24 HZ3 LYS 24 9.231 -4.972 2.068 203 H ALA 25 HN ALA 25 11.469 -1.445 -1.115 204 HA ALA 25 HA ALA 25 13.924 -2.099 -2.522 205 1HB ALA 25 HB1 ALA 25 11.476 -2.132 -3.319 206 2HB ALA 25 HB2 ALA 25 12.656 -1.456 -4.441 207 3HB ALA 25 HB3 ALA 25 11.628 -0.382 -3.492 208 H LYS 26 HN LYS 26 12.508 0.892 -1.235 209 HA LYS 26 HA LYS 26 14.194 2.771 -2.603 210 1HB LYS 26 HB2 LYS 26 12.024 3.049 -1.201 211 2HB LYS 26 HB1 LYS 26 13.102 3.095 0.194 212 1HG LYS 26 HG2 LYS 26 14.261 4.820 -1.713 213 2HG LYS 26 HG1 LYS 26 12.535 5.179 -1.735 214 1HD LYS 26 HD2 LYS 26 13.783 4.831 0.944 215 2HD LYS 26 HD1 LYS 26 14.223 6.287 0.052 216 1HE LYS 26 HE2 LYS 26 11.693 6.625 -0.330 217 2HE LYS 26 HE1 LYS 26 11.466 5.406 0.940 218 1HZ LYS 26 HZ1 LYS 26 11.579 7.533 1.989 219 2HZ LYS 26 HZ2 LYS 26 12.996 7.947 1.147 220 3HZ LYS 26 HZ3 LYS 26 13.030 6.723 2.329 221 H LEU 27 HN LEU 27 14.629 0.925 0.413 222 HA LEU 27 HA LEU 27 17.271 2.222 0.883 223 1HB LEU 27 HB2 LEU 27 15.139 1.130 2.454 224 2HB LEU 27 HB1 LEU 27 16.587 0.178 2.778 225 HG LEU 27 HG LEU 27 16.834 3.163 2.706 226 1HD1 LEU 27 HD11 LEU 27 15.972 3.485 4.859 227 2HD1 LEU 27 HD12 LEU 27 16.062 1.769 5.257 228 3HD1 LEU 27 HD13 LEU 27 14.810 2.356 4.163 229 1HD2 LEU 27 HD21 LEU 27 18.215 0.808 3.946 230 2HD2 LEU 27 HD22 LEU 27 18.346 2.375 4.744 231 3HD2 LEU 27 HD23 LEU 27 18.907 2.182 3.083 232 H MET 28 HN MET 28 18.895 0.407 1.835 233 HA MET 28 HA MET 28 20.236 -1.487 1.433 234 1HB MET 28 HB2 MET 28 17.570 -2.280 1.103 235 2HB MET 28 HB1 MET 28 18.386 -2.884 -0.338 236 1HG MET 28 HG2 MET 28 19.639 -4.383 0.840 237 2HG MET 28 HG1 MET 28 19.855 -3.283 2.202 238 1HE MET 28 HE1 MET 28 19.459 -3.884 4.037 239 2HE MET 28 HE2 MET 28 19.075 -5.599 4.170 240 3HE MET 28 HE3 MET 28 17.947 -4.400 4.798 241 HA PRO 29 HA PRO 29 21.962 -0.440 -2.494 242 1HB PRO 29 HB2 PRO 29 23.937 -2.330 -2.596 243 2HB PRO 29 HB1 PRO 29 24.019 -0.902 -1.550 244 1HG PRO 29 HG2 PRO 29 23.368 -3.712 -0.869 245 2HG PRO 29 HG1 PRO 29 24.223 -2.489 0.079 246 1HD PRO 29 HD2 PRO 29 21.592 -3.233 0.462 247 2HD PRO 29 HD1 PRO 29 22.303 -1.696 1.000 248 H GLN 30 HN GLN 30 22.970 -2.056 -4.431 249 HA GLN 30 HA GLN 30 20.662 -3.264 -5.655 250 1HB GLN 30 HB2 GLN 30 23.214 -2.418 -6.382 251 2HB GLN 30 HB1 GLN 30 23.285 -4.165 -6.618 252 1HG GLN 30 HG2 GLN 30 21.023 -2.461 -7.691 253 2HG GLN 30 HG1 GLN 30 22.474 -2.822 -8.627 254 1HE2 GLN 30 HE21 GLN 30 22.992 -5.319 -8.720 255 2HE2 GLN 30 HE22 GLN 30 21.656 -6.348 -8.908 256 H LEU 31 HN LEU 31 23.503 -4.664 -3.993 257 HA LEU 31 HA LEU 31 22.140 -7.337 -4.044 258 1HB LEU 31 HB2 LEU 31 24.464 -6.837 -5.128 259 2HB LEU 31 HB1 LEU 31 25.058 -6.820 -3.468 260 HG LEU 31 HG LEU 31 23.773 -9.096 -3.262 261 1HD1 LEU 31 HD11 LEU 31 22.618 -9.057 -5.384 262 2HD1 LEU 31 HD12 LEU 31 23.837 -10.329 -5.466 263 3HD1 LEU 31 HD13 LEU 31 24.125 -8.778 -6.256 264 1HD2 LEU 31 HD21 LEU 31 26.362 -8.695 -4.787 265 2HD2 LEU 31 HD22 LEU 31 25.811 -10.272 -4.220 266 3HD2 LEU 31 HD23 LEU 31 26.172 -8.995 -3.060 Start of MODEL 8 1 1H SER 1 HT1 SER 1 -17.964 6.914 4.446 2 2H SER 1 HT2 SER 1 -19.435 7.731 4.208 3 3H SER 1 HT3 SER 1 -18.834 7.499 5.780 4 HA SER 1 HA SER 1 -18.476 9.795 5.008 5 1HB SER 1 HB2 SER 1 -16.944 8.242 6.506 6 2HB SER 1 HB1 SER 1 -15.828 8.377 5.150 7 HG SER 1 HG SER 1 -15.356 10.100 6.389 8 H GLY 2 HN GLY 2 -18.384 10.893 3.085 9 1HA GLY 2 HA2 GLY 2 -17.504 11.598 1.007 10 2HA GLY 2 HA1 GLY 2 -16.273 10.343 1.143 11 H SER 3 HN SER 3 -17.093 10.394 -1.305 12 HA SER 3 HA SER 3 -19.303 8.375 -1.567 13 1HB SER 3 HB2 SER 3 -19.170 10.930 -2.549 14 2HB SER 3 HB1 SER 3 -18.522 10.010 -3.904 15 HG SER 3 HG SER 3 -20.425 9.141 -4.216 16 H TRP 4 HN TRP 4 -16.083 8.350 -1.469 17 HA TRP 4 HA TRP 4 -15.858 6.301 -3.635 18 1HB TRP 4 HB2 TRP 4 -14.917 8.819 -3.926 19 2HB TRP 4 HB1 TRP 4 -13.536 8.094 -3.104 20 HD1 TRP 4 HD1 TRP 4 -15.631 7.784 -6.293 21 HE1 TRP 4 HE1 TRP 4 -14.292 6.435 -8.034 22 HE3 TRP 4 HE3 TRP 4 -11.642 6.361 -3.435 23 HZ2 TRP 4 HZ2 TRP 4 -11.853 4.947 -8.193 24 HZ3 TRP 4 HZ3 TRP 4 -9.829 4.979 -4.407 25 HH2 TRP 4 HH2 TRP 4 -9.930 4.272 -6.780 26 H LEU 5 HN LEU 5 -16.242 5.830 -0.834 27 HA LEU 5 HA LEU 5 -13.550 5.121 0.222 28 1HB LEU 5 HB2 LEU 5 -15.377 6.328 1.538 29 2HB LEU 5 HB1 LEU 5 -16.272 4.810 1.516 30 HG LEU 5 HG LEU 5 -14.190 3.715 2.511 31 1HD1 LEU 5 HD11 LEU 5 -12.805 5.832 1.852 32 2HD1 LEU 5 HD12 LEU 5 -12.461 5.037 3.388 33 3HD1 LEU 5 HD13 LEU 5 -13.436 6.507 3.354 34 1HD2 LEU 5 HD21 LEU 5 -14.819 4.305 4.749 35 2HD2 LEU 5 HD22 LEU 5 -16.285 4.439 3.778 36 3HD2 LEU 5 HD23 LEU 5 -15.397 5.892 4.239 37 H ARG 6 HN ARG 6 -16.569 3.607 -0.896 38 HA ARG 6 HA ARG 6 -16.050 0.926 -0.049 39 1HB ARG 6 HB2 ARG 6 -18.096 2.221 -1.206 40 2HB ARG 6 HB1 ARG 6 -17.408 1.485 -2.654 41 1HG ARG 6 HG2 ARG 6 -17.419 -0.522 -0.642 42 2HG ARG 6 HG1 ARG 6 -19.004 0.250 -0.601 43 1HD ARG 6 HD2 ARG 6 -19.604 -0.819 -2.504 44 2HD ARG 6 HD1 ARG 6 -18.195 -0.151 -3.352 45 HE ARG 6 HE ARG 6 -17.886 -2.522 -1.550 46 1HH1 ARG 6 HH21 ARG 6 -15.472 -1.525 -2.936 47 2HH1 ARG 6 HH22 ARG 6 -15.420 -2.497 -4.370 48 1HH2 ARG 6 HH11 ARG 6 -18.732 -3.529 -4.112 49 2HH2 ARG 6 HH12 ARG 6 -17.273 -3.633 -5.040 50 H ASP 7 HN ASP 7 -14.712 2.817 -2.690 51 HA ASP 7 HA ASP 7 -13.527 0.396 -3.960 52 1HB ASP 7 HB2 ASP 7 -14.742 2.352 -5.154 53 2HB ASP 7 HB1 ASP 7 -13.273 3.277 -4.838 54 H ILE 8 HN ILE 8 -12.605 3.370 -2.228 55 HA ILE 8 HA ILE 8 -9.753 3.046 -2.644 56 HB ILE 8 HB ILE 8 -11.227 5.118 -1.998 57 1HG1 ILE 8 HG12 ILE 8 -8.655 4.832 -0.447 58 2HG1 ILE 8 HG11 ILE 8 -8.647 4.860 -2.210 59 1HG2 ILE 8 HG21 ILE 8 -10.410 4.290 0.786 60 2HG2 ILE 8 HG22 ILE 8 -11.998 3.880 0.139 61 3HG2 ILE 8 HG23 ILE 8 -11.522 5.570 0.301 62 1HD1 ILE 8 HD11 ILE 8 -9.889 7.021 -2.148 63 2HD1 ILE 8 HD12 ILE 8 -8.314 7.127 -1.362 64 3HD1 ILE 8 HD13 ILE 8 -9.779 7.005 -0.389 65 H TRP 9 HN TRP 9 -12.037 1.769 -0.269 66 HA TRP 9 HA TRP 9 -10.235 1.097 1.836 67 1HB TRP 9 HB2 TRP 9 -12.899 0.884 1.371 68 2HB TRP 9 HB1 TRP 9 -12.424 -0.798 1.140 69 HD1 TRP 9 HD1 TRP 9 -12.631 -2.118 3.290 70 HE1 TRP 9 HE1 TRP 9 -12.261 -1.649 5.799 71 HE3 TRP 9 HE3 TRP 9 -11.257 2.799 3.079 72 HZ2 TRP 9 HZ2 TRP 9 -11.488 0.523 7.492 73 HZ3 TRP 9 HZ3 TRP 9 -10.710 4.041 5.152 74 HH2 TRP 9 HH2 TRP 9 -10.824 2.910 7.356 75 H ASP 10 HN ASP 10 -11.293 -0.905 -0.954 76 HA ASP 10 HA ASP 10 -9.613 -3.162 -0.395 77 1HB ASP 10 HB2 ASP 10 -11.619 -2.635 -2.096 78 2HB ASP 10 HB1 ASP 10 -10.278 -2.343 -3.202 79 H TRP 11 HN TRP 11 -9.081 -0.183 -2.274 80 HA TRP 11 HA TRP 11 -6.477 -0.891 -3.312 81 1HB TRP 11 HB2 TRP 11 -8.011 0.857 -4.212 82 2HB TRP 11 HB1 TRP 11 -7.766 1.805 -2.745 83 HD1 TRP 11 HD1 TRP 11 -5.892 0.540 -5.840 84 HE1 TRP 11 HE1 TRP 11 -3.802 2.009 -6.188 85 HE3 TRP 11 HE3 TRP 11 -6.091 3.382 -1.603 86 HZ2 TRP 11 HZ2 TRP 11 -2.401 4.112 -4.850 87 HZ3 TRP 11 HZ3 TRP 11 -4.369 5.109 -1.164 88 HH2 TRP 11 HH2 TRP 11 -2.525 5.477 -2.780 89 H ILE 12 HN ILE 12 -7.582 0.879 -0.406 90 HA ILE 12 HA ILE 12 -5.064 1.745 0.596 91 HB ILE 12 HB ILE 12 -7.743 0.988 1.767 92 1HG1 ILE 12 HG12 ILE 12 -6.276 3.618 1.969 93 2HG1 ILE 12 HG11 ILE 12 -7.144 3.181 0.497 94 1HG2 ILE 12 HG21 ILE 12 -5.225 1.696 3.284 95 2HG2 ILE 12 HG22 ILE 12 -6.343 0.365 3.582 96 3HG2 ILE 12 HG23 ILE 12 -6.829 2.021 3.942 97 1HD1 ILE 12 HD11 ILE 12 -9.227 3.011 1.668 98 2HD1 ILE 12 HD12 ILE 12 -8.486 4.520 2.200 99 3HD1 ILE 12 HD13 ILE 12 -8.428 3.094 3.237 100 H CYS 13 HN CYS 13 -6.745 -1.381 0.896 101 HA CYS 13 HA CYS 13 -4.839 -2.607 2.702 102 1HB CYS 13 HB2 CYS 13 -7.224 -3.295 2.287 103 2HB CYS 13 HB1 CYS 13 -6.744 -3.848 0.682 104 HG CYS 13 HG CYS 13 -5.357 -5.732 1.737 105 H GLU 14 HN GLU 14 -5.188 -2.460 -0.844 106 HA GLU 14 HA GLU 14 -3.141 -4.333 -1.544 107 1HB GLU 14 HB2 GLU 14 -4.746 -2.175 -2.760 108 2HB GLU 14 HB1 GLU 14 -3.192 -2.440 -3.544 109 1HG GLU 14 HG2 GLU 14 -3.792 -4.492 -4.339 110 2HG GLU 14 HG1 GLU 14 -4.699 -4.900 -2.883 111 H VAL 15 HN VAL 15 -3.064 -0.802 -1.108 112 HA VAL 15 HA VAL 15 -0.287 -0.399 -1.684 113 HB VAL 15 HB VAL 15 -2.274 1.098 0.060 114 1HG1 VAL 15 HG11 VAL 15 -0.249 2.014 0.765 115 2HG1 VAL 15 HG12 VAL 15 -0.618 3.034 -0.625 116 3HG1 VAL 15 HG13 VAL 15 0.543 1.716 -0.783 117 1HG2 VAL 15 HG21 VAL 15 -1.864 0.820 -2.806 118 2HG2 VAL 15 HG22 VAL 15 -1.696 2.502 -2.303 119 3HG2 VAL 15 HG23 VAL 15 -3.178 1.618 -1.943 120 H LEU 16 HN LEU 16 -1.944 -1.499 1.239 121 HA LEU 16 HA LEU 16 0.082 -1.003 3.181 122 1HB LEU 16 HB2 LEU 16 -2.296 -1.765 3.534 123 2HB LEU 16 HB1 LEU 16 -1.814 -3.367 2.974 124 HG LEU 16 HG LEU 16 0.102 -2.932 4.846 125 1HD1 LEU 16 HD11 LEU 16 -2.298 -1.272 5.574 126 2HD1 LEU 16 HD12 LEU 16 -0.586 -0.893 5.764 127 3HD1 LEU 16 HD13 LEU 16 -1.357 -2.056 6.843 128 1HD2 LEU 16 HD21 LEU 16 -2.661 -3.917 5.595 129 2HD2 LEU 16 HD22 LEU 16 -1.108 -4.474 6.215 130 3HD2 LEU 16 HD23 LEU 16 -1.579 -4.843 4.556 131 H SER 17 HN SER 17 -0.396 -3.791 0.978 132 HA SER 17 HA SER 17 1.860 -5.320 1.959 133 1HB SER 17 HB2 SER 17 -0.132 -6.158 0.652 134 2HB SER 17 HB1 SER 17 0.521 -5.347 -0.767 135 HG SER 17 HG SER 17 1.410 -7.619 0.588 136 H ASP 18 HN ASP 18 1.420 -2.998 -0.716 137 HA ASP 18 HA ASP 18 4.114 -3.272 -1.757 138 1HB ASP 18 HB2 ASP 18 2.248 -2.476 -3.117 139 2HB ASP 18 HB1 ASP 18 1.978 -1.128 -2.011 140 H PHE 19 HN PHE 19 2.577 -1.119 0.631 141 HA PHE 19 HA PHE 19 4.429 0.931 0.955 142 1HB PHE 19 HB2 PHE 19 2.301 -0.213 2.367 143 2HB PHE 19 HB1 PHE 19 3.643 -0.262 3.504 144 HD1 PHE 19 HD1 PHE 19 1.066 1.762 2.168 145 HD2 PHE 19 HD2 PHE 19 5.103 1.944 3.625 146 HE1 PHE 19 HE1 PHE 19 0.807 4.193 2.586 147 HE2 PHE 19 HE2 PHE 19 4.843 4.374 4.043 148 HZ PHE 19 HZ PHE 19 2.695 5.498 3.523 149 H LYS 20 HN LYS 20 4.685 -2.371 2.314 150 HA LYS 20 HA LYS 20 7.182 -1.957 3.695 151 1HB LYS 20 HB2 LYS 20 5.499 -3.786 4.061 152 2HB LYS 20 HB1 LYS 20 5.987 -4.492 2.519 153 1HG LYS 20 HG2 LYS 20 8.364 -4.545 3.431 154 2HG LYS 20 HG1 LYS 20 7.678 -4.137 5.005 155 1HD LYS 20 HD2 LYS 20 6.167 -6.293 3.833 156 2HD LYS 20 HD1 LYS 20 7.881 -6.707 3.829 157 1HE LYS 20 HE2 LYS 20 7.965 -6.883 6.105 158 2HE LYS 20 HE1 LYS 20 6.942 -5.453 6.341 159 1HZ LYS 20 HZ1 LYS 20 5.006 -6.679 5.872 160 2HZ LYS 20 HZ2 LYS 20 5.900 -7.670 6.922 161 3HZ LYS 20 HZ3 LYS 20 5.876 -7.999 5.255 162 H THR 21 HN THR 21 6.405 -3.235 0.440 163 HA THR 21 HA THR 21 9.188 -3.735 -0.274 164 HB THR 21 HB THR 21 6.880 -3.343 -2.187 165 HG1 THR 21 HG1 THR 21 5.843 -4.839 -1.168 166 1HG2 THR 21 HG21 THR 21 8.065 -4.734 -3.592 167 2HG2 THR 21 HG22 THR 21 8.812 -5.618 -2.261 168 3HG2 THR 21 HG23 THR 21 9.408 -4.018 -2.701 169 H TRP 22 HN TRP 22 6.829 -1.155 -0.968 170 HA TRP 22 HA TRP 22 8.321 0.417 -2.793 171 1HB TRP 22 HB2 TRP 22 5.893 0.541 -1.762 172 2HB TRP 22 HB1 TRP 22 6.653 1.600 -0.582 173 HD1 TRP 22 HD1 TRP 22 5.985 1.327 -4.352 174 HE1 TRP 22 HE1 TRP 22 6.114 3.692 -5.371 175 HE3 TRP 22 HE3 TRP 22 7.564 3.959 -0.273 176 HZ2 TRP 22 HZ2 TRP 22 6.796 6.351 -4.561 177 HZ3 TRP 22 HZ3 TRP 22 7.944 6.404 -0.421 178 HH2 TRP 22 HH2 TRP 22 7.562 7.603 -2.559 179 H LEU 23 HN LEU 23 8.186 0.628 0.773 180 HA LEU 23 HA LEU 23 10.135 2.712 1.070 181 1HB LEU 23 HB2 LEU 23 8.895 0.577 2.780 182 2HB LEU 23 HB1 LEU 23 10.260 1.489 3.424 183 HG LEU 23 HG LEU 23 7.844 2.844 2.208 184 1HD1 LEU 23 HD11 LEU 23 8.355 2.292 5.147 185 2HD1 LEU 23 HD12 LEU 23 7.198 1.401 4.158 186 3HD1 LEU 23 HD13 LEU 23 6.962 3.124 4.454 187 1HD2 LEU 23 HD21 LEU 23 10.037 3.756 4.101 188 2HD2 LEU 23 HD22 LEU 23 8.687 4.753 3.558 189 3HD2 LEU 23 HD23 LEU 23 9.892 4.194 2.398 190 H LYS 24 HN LYS 24 10.456 -0.856 1.018 191 HA LYS 24 HA LYS 24 13.288 -0.871 1.669 192 1HB LYS 24 HB2 LYS 24 11.475 -2.712 1.855 193 2HB LYS 24 HB1 LYS 24 11.755 -2.977 0.134 194 1HG LYS 24 HG2 LYS 24 13.980 -3.662 0.473 195 2HG LYS 24 HG1 LYS 24 14.064 -2.917 2.070 196 1HD LYS 24 HD2 LYS 24 12.318 -4.573 2.840 197 2HD LYS 24 HD1 LYS 24 12.501 -5.391 1.287 198 1HE LYS 24 HE2 LYS 24 14.704 -6.075 1.760 199 2HE LYS 24 HE1 LYS 24 14.923 -4.826 3.002 200 1HZ LYS 24 HZ1 LYS 24 13.298 -5.902 4.384 201 2HZ LYS 24 HZ2 LYS 24 14.474 -7.050 3.951 202 3HZ LYS 24 HZ3 LYS 24 12.959 -7.052 3.184 203 H ALA 25 HN ALA 25 11.439 -1.053 -1.385 204 HA ALA 25 HA ALA 25 13.670 -1.412 -3.149 205 1HB ALA 25 HB1 ALA 25 11.990 -0.557 -4.831 206 2HB ALA 25 HB2 ALA 25 10.920 -0.176 -3.481 207 3HB ALA 25 HB3 ALA 25 11.373 -1.849 -3.802 208 H LYS 26 HN LYS 26 12.256 1.489 -1.679 209 HA LYS 26 HA LYS 26 13.916 3.283 -3.357 210 1HB LYS 26 HB2 LYS 26 11.682 3.515 -1.369 211 2HB LYS 26 HB1 LYS 26 12.689 4.932 -1.669 212 1HG LYS 26 HG2 LYS 26 12.259 4.658 -4.120 213 2HG LYS 26 HG1 LYS 26 11.145 3.346 -3.741 214 1HD LYS 26 HD2 LYS 26 9.571 4.981 -3.650 215 2HD LYS 26 HD1 LYS 26 10.253 5.324 -2.061 216 1HE LYS 26 HE2 LYS 26 10.596 7.427 -2.898 217 2HE LYS 26 HE1 LYS 26 11.976 6.695 -3.741 218 1HZ LYS 26 HZ1 LYS 26 10.504 6.114 -5.573 219 2HZ LYS 26 HZ2 LYS 26 10.483 7.791 -5.307 220 3HZ LYS 26 HZ3 LYS 26 9.189 6.829 -4.776 221 H LEU 27 HN LEU 27 13.531 2.494 0.128 222 HA LEU 27 HA LEU 27 16.027 3.960 0.768 223 1HB LEU 27 HB2 LEU 27 13.749 3.862 2.051 224 2HB LEU 27 HB1 LEU 27 14.357 2.329 2.671 225 HG LEU 27 HG LEU 27 16.385 4.420 2.799 226 1HD1 LEU 27 HD11 LEU 27 13.672 4.911 4.013 227 2HD1 LEU 27 HD12 LEU 27 14.728 6.044 3.170 228 3HD1 LEU 27 HD13 LEU 27 15.127 5.514 4.805 229 1HD2 LEU 27 HD21 LEU 27 16.262 3.666 5.257 230 2HD2 LEU 27 HD22 LEU 27 16.671 2.426 4.072 231 3HD2 LEU 27 HD23 LEU 27 15.035 2.516 4.725 232 H MET 28 HN MET 28 17.558 2.575 -0.295 233 HA MET 28 HA MET 28 17.969 -0.085 1.040 234 1HB MET 28 HB2 MET 28 17.665 0.717 -1.735 235 2HB MET 28 HB1 MET 28 19.224 -0.068 -1.488 236 1HG MET 28 HG2 MET 28 16.666 -1.251 -0.403 237 2HG MET 28 HG1 MET 28 17.225 -1.596 -2.039 238 1HE MET 28 HE1 MET 28 18.854 -2.982 -2.740 239 2HE MET 28 HE2 MET 28 20.128 -3.797 -1.836 240 3HE MET 28 HE3 MET 28 20.244 -2.066 -2.139 241 HA PRO 29 HA PRO 29 21.681 2.338 2.038 242 1HB PRO 29 HB2 PRO 29 22.388 0.825 4.206 243 2HB PRO 29 HB1 PRO 29 21.189 2.128 4.277 244 1HG PRO 29 HG2 PRO 29 20.783 -0.812 4.146 245 2HG PRO 29 HG1 PRO 29 19.864 0.416 5.029 246 1HD PRO 29 HD2 PRO 29 19.040 -0.717 2.675 247 2HD PRO 29 HD1 PRO 29 18.532 0.891 3.237 248 H GLN 30 HN GLN 30 24.014 1.538 2.447 249 HA GLN 30 HA GLN 30 24.564 -0.763 0.612 250 1HB GLN 30 HB2 GLN 30 26.148 1.650 1.549 251 2HB GLN 30 HB1 GLN 30 26.847 0.369 0.557 252 1HG GLN 30 HG2 GLN 30 25.033 0.771 -1.134 253 2HG GLN 30 HG1 GLN 30 24.506 2.153 -0.174 254 1HE2 GLN 30 HE21 GLN 30 25.906 4.057 -0.121 255 2HE2 GLN 30 HE22 GLN 30 27.195 4.238 -1.210 256 H LEU 31 HN LEU 31 26.533 -2.095 1.228 257 HA LEU 31 HA LEU 31 27.226 -2.165 4.103 258 1HB LEU 31 HB2 LEU 31 26.431 -4.530 4.287 259 2HB LEU 31 HB1 LEU 31 25.117 -3.394 3.992 260 HG LEU 31 HG LEU 31 26.213 -4.294 1.472 261 1HD1 LEU 31 HD11 LEU 31 25.557 -6.669 1.641 262 2HD1 LEU 31 HD12 LEU 31 25.240 -6.459 3.362 263 3HD1 LEU 31 HD13 LEU 31 26.883 -6.298 2.742 264 1HD2 LEU 31 HD21 LEU 31 23.854 -4.932 1.100 265 2HD2 LEU 31 HD22 LEU 31 23.965 -3.329 1.827 266 3HD2 LEU 31 HD23 LEU 31 23.524 -4.719 2.819 Start of MODEL 9 1 1H SER 1 HT1 SER 1 -19.612 10.923 -11.920 2 2H SER 1 HT2 SER 1 -21.277 10.591 -11.893 3 3H SER 1 HT3 SER 1 -20.157 9.323 -12.051 4 HA SER 1 HA SER 1 -20.452 11.068 -9.652 5 1HB SER 1 HB2 SER 1 -21.226 8.179 -10.179 6 2HB SER 1 HB1 SER 1 -21.498 9.071 -8.685 7 HG SER 1 HG SER 1 -23.369 9.220 -9.835 8 H GLY 2 HN GLY 2 -19.224 7.851 -10.710 9 1HA GLY 2 HA2 GLY 2 -16.998 7.025 -10.497 10 2HA GLY 2 HA1 GLY 2 -16.563 8.489 -9.614 11 H SER 3 HN SER 3 -15.530 6.562 -8.310 12 HA SER 3 HA SER 3 -17.367 6.002 -6.026 13 1HB SER 3 HB2 SER 3 -17.208 4.130 -7.816 14 2HB SER 3 HB1 SER 3 -15.570 3.883 -7.218 15 HG SER 3 HG SER 3 -16.352 3.048 -5.440 16 H TRP 4 HN TRP 4 -16.290 6.857 -4.284 17 HA TRP 4 HA TRP 4 -13.305 6.532 -4.157 18 1HB TRP 4 HB2 TRP 4 -14.941 8.843 -4.243 19 2HB TRP 4 HB1 TRP 4 -14.355 8.725 -2.585 20 HD1 TRP 4 HD1 TRP 4 -13.240 9.441 -6.110 21 HE1 TRP 4 HE1 TRP 4 -10.751 10.120 -6.105 22 HE3 TRP 4 HE3 TRP 4 -12.021 8.305 -1.283 23 HZ2 TRP 4 HZ2 TRP 4 -8.539 10.173 -4.295 24 HZ3 TRP 4 HZ3 TRP 4 -9.720 8.679 -0.445 25 HH2 TRP 4 HH2 TRP 4 -7.978 9.611 -1.944 26 H LEU 5 HN LEU 5 -15.540 4.799 -3.012 27 HA LEU 5 HA LEU 5 -14.720 5.003 -0.133 28 1HB LEU 5 HB2 LEU 5 -17.237 5.477 -1.243 29 2HB LEU 5 HB1 LEU 5 -17.354 3.827 -0.636 30 HG LEU 5 HG LEU 5 -16.251 4.780 1.521 31 1HD1 LEU 5 HD11 LEU 5 -16.756 7.167 1.907 32 2HD1 LEU 5 HD12 LEU 5 -17.356 7.308 0.254 33 3HD1 LEU 5 HD13 LEU 5 -15.651 6.968 0.547 34 1HD2 LEU 5 HD21 LEU 5 -19.078 5.581 0.751 35 2HD2 LEU 5 HD22 LEU 5 -18.468 5.405 2.397 36 3HD2 LEU 5 HD23 LEU 5 -18.596 3.993 1.349 37 H ARG 6 HN ARG 6 -16.453 2.733 -2.320 38 HA ARG 6 HA ARG 6 -15.529 0.357 -0.974 39 1HB ARG 6 HB2 ARG 6 -17.558 0.605 -2.426 40 2HB ARG 6 HB1 ARG 6 -16.499 0.768 -3.825 41 1HG ARG 6 HG2 ARG 6 -17.063 -1.519 -3.838 42 2HG ARG 6 HG1 ARG 6 -15.484 -1.496 -3.052 43 1HD ARG 6 HD2 ARG 6 -16.377 -1.947 -0.943 44 2HD ARG 6 HD1 ARG 6 -17.961 -1.261 -1.356 45 HE ARG 6 HE ARG 6 -18.532 -3.310 -2.437 46 1HH1 ARG 6 HH11 ARG 6 -16.756 -4.455 -0.217 47 2HH1 ARG 6 HH12 ARG 6 -15.755 -5.543 -1.120 48 1HH2 ARG 6 HH21 ARG 6 -16.585 -4.167 -4.202 49 2HH2 ARG 6 HH22 ARG 6 -15.667 -5.387 -3.384 50 H ASP 7 HN ASP 7 -14.493 1.931 -4.022 51 HA ASP 7 HA ASP 7 -12.370 0.122 -4.666 52 1HB ASP 7 HB2 ASP 7 -13.248 1.616 -6.316 53 2HB ASP 7 HB1 ASP 7 -12.997 3.021 -5.283 54 H ILE 8 HN ILE 8 -12.442 3.065 -2.658 55 HA ILE 8 HA ILE 8 -9.577 3.217 -2.251 56 HB ILE 8 HB ILE 8 -11.895 4.280 -0.598 57 1HG1 ILE 8 HG12 ILE 8 -12.090 4.994 -2.935 58 2HG1 ILE 8 HG11 ILE 8 -11.569 6.353 -1.946 59 1HG2 ILE 8 HG21 ILE 8 -8.940 4.778 -0.632 60 2HG2 ILE 8 HG22 ILE 8 -10.041 4.676 0.741 61 3HG2 ILE 8 HG23 ILE 8 -10.021 6.123 -0.266 62 1HD1 ILE 8 HD11 ILE 8 -10.105 6.472 -3.773 63 2HD1 ILE 8 HD12 ILE 8 -9.965 4.718 -3.897 64 3HD1 ILE 8 HD13 ILE 8 -9.156 5.578 -2.587 65 H TRP 9 HN TRP 9 -12.246 1.642 -0.485 66 HA TRP 9 HA TRP 9 -10.889 0.964 1.917 67 1HB TRP 9 HB2 TRP 9 -13.324 0.721 1.434 68 2HB TRP 9 HB1 TRP 9 -12.957 -0.621 0.351 69 HD1 TRP 9 HD1 TRP 9 -13.633 -2.758 1.549 70 HE1 TRP 9 HE1 TRP 9 -13.259 -3.755 3.898 71 HE3 TRP 9 HE3 TRP 9 -11.269 1.165 3.814 72 HZ2 TRP 9 HZ2 TRP 9 -12.110 -2.991 6.401 73 HZ3 TRP 9 HZ3 TRP 9 -10.546 1.001 6.177 74 HH2 TRP 9 HH2 TRP 9 -10.964 -1.070 7.473 75 H ASP 10 HN ASP 10 -11.241 -1.031 -1.055 76 HA ASP 10 HA ASP 10 -9.415 -3.090 -0.142 77 1HB ASP 10 HB2 ASP 10 -11.214 -2.555 -2.295 78 2HB ASP 10 HB1 ASP 10 -9.653 -2.961 -3.005 79 H TRP 11 HN TRP 11 -9.055 -0.112 -2.042 80 HA TRP 11 HA TRP 11 -6.390 -0.599 -3.024 81 1HB TRP 11 HB2 TRP 11 -7.785 1.094 -4.014 82 2HB TRP 11 HB1 TRP 11 -8.049 1.876 -2.456 83 HD1 TRP 11 HD1 TRP 11 -5.124 1.110 -4.868 84 HE1 TRP 11 HE1 TRP 11 -3.402 3.017 -4.665 85 HE3 TRP 11 HE3 TRP 11 -7.292 3.862 -1.156 86 HZ2 TRP 11 HZ2 TRP 11 -2.998 5.400 -3.131 87 HZ3 TRP 11 HZ3 TRP 11 -6.221 5.943 -0.343 88 HH2 TRP 11 HH2 TRP 11 -4.079 6.715 -1.324 89 H ILE 12 HN ILE 12 -7.621 1.019 -0.068 90 HA ILE 12 HA ILE 12 -5.148 1.943 0.988 91 HB ILE 12 HB ILE 12 -7.791 1.030 2.135 92 1HG1 ILE 12 HG12 ILE 12 -6.396 3.717 2.266 93 2HG1 ILE 12 HG11 ILE 12 -7.440 3.250 0.924 94 1HG2 ILE 12 HG21 ILE 12 -5.310 1.855 3.661 95 2HG2 ILE 12 HG22 ILE 12 -6.322 0.434 3.919 96 3HG2 ILE 12 HG23 ILE 12 -6.930 2.036 4.334 97 1HD1 ILE 12 HD11 ILE 12 -8.212 3.509 3.843 98 2HD1 ILE 12 HD12 ILE 12 -9.254 2.775 2.624 99 3HD1 ILE 12 HD13 ILE 12 -8.803 4.475 2.489 100 H CYS 13 HN CYS 13 -6.681 -1.268 1.139 101 HA CYS 13 HA CYS 13 -4.755 -2.458 2.949 102 1HB CYS 13 HB2 CYS 13 -7.111 -3.224 2.423 103 2HB CYS 13 HB1 CYS 13 -6.520 -3.764 0.852 104 HG CYS 13 HG CYS 13 -5.413 -4.942 3.536 105 H GLU 14 HN GLU 14 -4.997 -2.157 -0.590 106 HA GLU 14 HA GLU 14 -2.853 -3.947 -1.276 107 1HB GLU 14 HB2 GLU 14 -4.731 -2.226 -2.527 108 2HB GLU 14 HB1 GLU 14 -3.141 -1.723 -3.097 109 1HG GLU 14 HG2 GLU 14 -3.755 -4.653 -3.016 110 2HG GLU 14 HG1 GLU 14 -4.461 -3.685 -4.310 111 H VAL 15 HN VAL 15 -2.963 -0.448 -0.666 112 HA VAL 15 HA VAL 15 -0.182 0.087 -1.211 113 HB VAL 15 HB VAL 15 -2.255 1.488 0.516 114 1HG1 VAL 15 HG11 VAL 15 0.523 2.251 -0.363 115 2HG1 VAL 15 HG12 VAL 15 -0.223 2.429 1.225 116 3HG1 VAL 15 HG13 VAL 15 -0.696 3.496 -0.096 117 1HG2 VAL 15 HG21 VAL 15 -1.822 2.974 -1.778 118 2HG2 VAL 15 HG22 VAL 15 -3.176 1.873 -1.525 119 3HG2 VAL 15 HG23 VAL 15 -1.733 1.317 -2.373 120 H LEU 16 HN LEU 16 -1.940 -0.925 1.713 121 HA LEU 16 HA LEU 16 0.096 -0.483 3.660 122 1HB LEU 16 HB2 LEU 16 -2.282 -1.079 4.095 123 2HB LEU 16 HB1 LEU 16 -1.982 -2.695 3.457 124 HG LEU 16 HG LEU 16 0.014 -2.073 5.442 125 1HD1 LEU 16 HD11 LEU 16 -1.477 -1.923 7.413 126 2HD1 LEU 16 HD12 LEU 16 -2.872 -1.801 6.340 127 3HD1 LEU 16 HD13 LEU 16 -1.660 -0.521 6.360 128 1HD2 LEU 16 HD21 LEU 16 -0.854 -4.320 4.616 129 2HD2 LEU 16 HD22 LEU 16 -2.291 -4.035 5.598 130 3HD2 LEU 16 HD23 LEU 16 -0.710 -4.170 6.367 131 H SER 17 HN SER 17 -0.612 -3.416 1.712 132 HA SER 17 HA SER 17 1.712 -4.883 2.661 133 1HB SER 17 HB2 SER 17 -0.604 -5.518 1.414 134 2HB SER 17 HB1 SER 17 0.465 -5.468 0.015 135 HG SER 17 HG SER 17 0.255 -7.336 1.940 136 H ASP 18 HN ASP 18 1.010 -2.833 -0.162 137 HA ASP 18 HA ASP 18 3.448 -3.319 -1.610 138 1HB ASP 18 HB2 ASP 18 1.682 -2.312 -2.799 139 2HB ASP 18 HB1 ASP 18 1.325 -1.181 -1.498 140 H PHE 19 HN PHE 19 2.583 -1.012 0.965 141 HA PHE 19 HA PHE 19 4.768 0.749 0.924 142 1HB PHE 19 HB2 PHE 19 2.658 -0.011 2.645 143 2HB PHE 19 HB1 PHE 19 4.122 -0.098 3.619 144 HD1 PHE 19 HD1 PHE 19 4.955 1.857 4.589 145 HD2 PHE 19 HD2 PHE 19 2.455 2.137 1.107 146 HE1 PHE 19 HE1 PHE 19 4.995 4.330 4.759 147 HE2 PHE 19 HE2 PHE 19 2.496 4.610 1.277 148 HZ PHE 19 HZ PHE 19 3.766 5.707 3.103 149 H LYS 20 HN LYS 20 4.616 -2.553 2.259 150 HA LYS 20 HA LYS 20 7.172 -2.598 3.549 151 1HB LYS 20 HB2 LYS 20 5.342 -4.262 3.813 152 2HB LYS 20 HB1 LYS 20 5.618 -4.812 2.160 153 1HG LYS 20 HG2 LYS 20 7.369 -6.090 2.789 154 2HG LYS 20 HG1 LYS 20 8.096 -4.761 3.694 155 1HD LYS 20 HD2 LYS 20 6.417 -5.219 5.532 156 2HD LYS 20 HD1 LYS 20 5.957 -6.678 4.654 157 1HE LYS 20 HE2 LYS 20 8.294 -7.498 4.783 158 2HE LYS 20 HE1 LYS 20 8.744 -6.041 5.691 159 1HZ LYS 20 HZ1 LYS 20 6.669 -8.024 6.480 160 2HZ LYS 20 HZ2 LYS 20 7.026 -6.593 7.326 161 3HZ LYS 20 HZ3 LYS 20 8.186 -7.828 7.214 162 H THR 21 HN THR 21 6.223 -3.195 0.163 163 HA THR 21 HA THR 21 9.011 -3.879 -0.589 164 HB THR 21 HB THR 21 6.715 -3.459 -2.497 165 HG1 THR 21 HG1 THR 21 5.608 -4.934 -1.530 166 1HG2 THR 21 HG21 THR 21 8.826 -5.622 -2.361 167 2HG2 THR 21 HG22 THR 21 9.053 -4.101 -3.224 168 3HG2 THR 21 HG23 THR 21 7.788 -5.220 -3.729 169 H TRP 22 HN TRP 22 6.598 -1.313 -1.202 170 HA TRP 22 HA TRP 22 8.043 0.300 -3.022 171 1HB TRP 22 HB2 TRP 22 5.642 0.388 -1.815 172 2HB TRP 22 HB1 TRP 22 6.478 1.569 -0.814 173 HD1 TRP 22 HD1 TRP 22 5.247 0.972 -4.365 174 HE1 TRP 22 HE1 TRP 22 5.366 3.190 -5.674 175 HE3 TRP 22 HE3 TRP 22 7.742 3.867 -0.976 176 HZ2 TRP 22 HZ2 TRP 22 6.382 5.841 -5.329 177 HZ3 TRP 22 HZ3 TRP 22 8.271 6.232 -1.491 178 HH2 TRP 22 HH2 TRP 22 7.595 7.222 -3.661 179 H LEU 23 HN LEU 23 8.059 0.392 0.557 180 HA LEU 23 HA LEU 23 9.967 2.531 0.810 181 1HB LEU 23 HB2 LEU 23 8.731 0.415 2.506 182 2HB LEU 23 HB1 LEU 23 10.227 1.119 3.112 183 HG LEU 23 HG LEU 23 8.247 2.350 3.943 184 1HD1 LEU 23 HD11 LEU 23 10.507 3.452 3.295 185 2HD1 LEU 23 HD12 LEU 23 9.120 4.504 3.576 186 3HD1 LEU 23 HD13 LEU 23 9.617 4.124 1.928 187 1HD2 LEU 23 HD21 LEU 23 6.776 1.909 1.989 188 2HD2 LEU 23 HD22 LEU 23 7.771 2.990 1.013 189 3HD2 LEU 23 HD23 LEU 23 6.852 3.628 2.375 190 H LYS 24 HN LYS 24 10.354 -1.030 0.722 191 HA LYS 24 HA LYS 24 13.212 -1.017 1.207 192 1HB LYS 24 HB2 LYS 24 11.460 -2.894 1.446 193 2HB LYS 24 HB1 LYS 24 11.602 -3.091 -0.301 194 1HG LYS 24 HG2 LYS 24 13.858 -3.760 -0.169 195 2HG LYS 24 HG1 LYS 24 14.059 -3.082 1.447 196 1HD LYS 24 HD2 LYS 24 13.917 -5.471 1.702 197 2HD LYS 24 HD1 LYS 24 12.389 -4.800 2.273 198 1HE LYS 24 HE2 LYS 24 12.243 -5.311 -0.583 199 2HE LYS 24 HE1 LYS 24 12.709 -6.783 0.291 200 1HZ LYS 24 HZ1 LYS 24 10.893 -6.467 1.812 201 2HZ LYS 24 HZ2 LYS 24 10.275 -6.439 0.229 202 3HZ LYS 24 HZ3 LYS 24 10.474 -4.989 1.091 203 H ALA 25 HN ALA 25 11.197 -1.015 -1.733 204 HA ALA 25 HA ALA 25 13.283 -1.361 -3.665 205 1HB ALA 25 HB1 ALA 25 10.999 -1.657 -4.289 206 2HB ALA 25 HB2 ALA 25 11.514 -0.196 -5.131 207 3HB ALA 25 HB3 ALA 25 10.546 -0.072 -3.662 208 H LYS 26 HN LYS 26 12.336 1.426 -1.760 209 HA LYS 26 HA LYS 26 13.866 3.291 -3.506 210 1HB LYS 26 HB2 LYS 26 11.784 3.432 -1.377 211 2HB LYS 26 HB1 LYS 26 12.895 4.798 -1.486 212 1HG LYS 26 HG2 LYS 26 12.337 4.527 -4.098 213 2HG LYS 26 HG1 LYS 26 10.842 3.862 -3.436 214 1HD LYS 26 HD2 LYS 26 10.314 5.866 -2.299 215 2HD LYS 26 HD1 LYS 26 11.962 6.479 -2.435 216 1HE LYS 26 HE2 LYS 26 11.534 6.373 -5.018 217 2HE LYS 26 HE1 LYS 26 9.821 6.348 -4.554 218 1HZ LYS 26 HZ1 LYS 26 10.637 8.626 -4.791 219 2HZ LYS 26 HZ2 LYS 26 11.832 8.335 -3.619 220 3HZ LYS 26 HZ3 LYS 26 10.187 8.305 -3.187 221 H LEU 27 HN LEU 27 14.098 1.621 -0.416 222 HA LEU 27 HA LEU 27 16.120 3.299 0.786 223 1HB LEU 27 HB2 LEU 27 14.620 0.887 1.320 224 2HB LEU 27 HB1 LEU 27 16.314 0.622 1.717 225 HG LEU 27 HG LEU 27 15.125 1.507 3.669 226 1HD1 LEU 27 HD11 LEU 27 16.731 3.076 4.268 227 2HD1 LEU 27 HD12 LEU 27 16.705 3.860 2.690 228 3HD1 LEU 27 HD13 LEU 27 17.521 2.310 2.890 229 1HD2 LEU 27 HD21 LEU 27 14.334 3.669 1.713 230 2HD2 LEU 27 HD22 LEU 27 14.323 3.957 3.452 231 3HD2 LEU 27 HD23 LEU 27 13.295 2.702 2.761 232 H MET 28 HN MET 28 16.241 0.515 -1.413 233 HA MET 28 HA MET 28 19.030 -0.100 -1.132 234 1HB MET 28 HB2 MET 28 16.752 -0.780 -2.821 235 2HB MET 28 HB1 MET 28 18.247 -0.717 -3.752 236 1HG MET 28 HG2 MET 28 18.651 -2.040 -1.191 237 2HG MET 28 HG1 MET 28 17.389 -2.832 -2.133 238 1HE MET 28 HE1 MET 28 21.828 -2.334 -3.107 239 2HE MET 28 HE2 MET 28 21.031 -2.196 -1.543 240 3HE MET 28 HE3 MET 28 20.778 -0.952 -2.765 241 HA PRO 29 HA PRO 29 19.835 2.726 -4.907 242 1HB PRO 29 HB2 PRO 29 17.807 4.312 -5.836 243 2HB PRO 29 HB1 PRO 29 18.092 2.663 -6.421 244 1HG PRO 29 HG2 PRO 29 16.081 3.660 -4.474 245 2HG PRO 29 HG1 PRO 29 15.930 2.402 -5.710 246 1HD PRO 29 HD2 PRO 29 16.287 1.890 -3.049 247 2HD PRO 29 HD1 PRO 29 16.774 0.781 -4.348 248 H GLN 30 HN GLN 30 19.540 5.380 -5.331 249 HA GLN 30 HA GLN 30 20.404 6.613 -2.866 250 1HB GLN 30 HB2 GLN 30 20.479 7.124 -5.610 251 2HB GLN 30 HB1 GLN 30 19.460 8.416 -4.975 252 1HG GLN 30 HG2 GLN 30 21.223 8.883 -3.252 253 2HG GLN 30 HG1 GLN 30 22.255 7.694 -4.048 254 1HE2 GLN 30 HE21 GLN 30 20.329 10.639 -4.895 255 2HE2 GLN 30 HE22 GLN 30 21.446 11.212 -6.037 256 H LEU 31 HN LEU 31 19.183 7.626 -1.310 257 HA LEU 31 HA LEU 31 16.244 7.635 -1.564 258 1HB LEU 31 HB2 LEU 31 18.323 8.020 0.556 259 2HB LEU 31 HB1 LEU 31 16.716 8.680 0.853 260 HG LEU 31 HG LEU 31 15.965 6.267 -0.013 261 1HD1 LEU 31 HD11 LEU 31 18.147 5.386 -0.506 262 2HD1 LEU 31 HD12 LEU 31 17.600 4.589 0.969 263 3HD1 LEU 31 HD13 LEU 31 18.775 5.901 1.059 264 1HD2 LEU 31 HD21 LEU 31 17.055 6.775 2.775 265 2HD2 LEU 31 HD22 LEU 31 15.836 5.578 2.338 266 3HD2 LEU 31 HD23 LEU 31 15.472 7.298 2.199 Start of MODEL 10 1 1H SER 1 HT1 SER 1 -25.578 -4.633 0.264 2 2H SER 1 HT2 SER 1 -25.526 -5.701 1.583 3 3H SER 1 HT3 SER 1 -24.687 -6.072 0.151 4 HA SER 1 HA SER 1 -24.061 -3.869 2.057 5 1HB SER 1 HB2 SER 1 -21.987 -5.266 2.300 6 2HB SER 1 HB1 SER 1 -23.448 -6.110 2.804 7 HG SER 1 HG SER 1 -22.594 -7.547 1.465 8 H GLY 2 HN GLY 2 -21.684 -3.123 1.418 9 1HA GLY 2 HA2 GLY 2 -20.128 -2.786 -0.493 10 2HA GLY 2 HA1 GLY 2 -21.536 -2.810 -1.556 11 H SER 3 HN SER 3 -19.384 -0.775 -0.005 12 HA SER 3 HA SER 3 -21.191 1.564 -0.448 13 1HB SER 3 HB2 SER 3 -21.213 0.842 1.954 14 2HB SER 3 HB1 SER 3 -19.470 1.090 2.010 15 HG SER 3 HG SER 3 -20.449 2.958 2.725 16 H TRP 4 HN TRP 4 -19.845 3.649 -0.386 17 HA TRP 4 HA TRP 4 -17.656 3.515 -2.217 18 1HB TRP 4 HB2 TRP 4 -19.243 5.454 -0.828 19 2HB TRP 4 HB1 TRP 4 -17.548 5.898 -0.634 20 HD1 TRP 4 HD1 TRP 4 -20.265 6.506 -2.887 21 HE1 TRP 4 HE1 TRP 4 -19.453 7.128 -5.253 22 HE3 TRP 4 HE3 TRP 4 -15.391 5.011 -2.572 23 HZ2 TRP 4 HZ2 TRP 4 -17.054 7.007 -6.806 24 HZ3 TRP 4 HZ3 TRP 4 -13.868 5.276 -4.506 25 HH2 TRP 4 HH2 TRP 4 -14.692 6.271 -6.620 26 H LEU 5 HN LEU 5 -17.737 3.582 1.343 27 HA LEU 5 HA LEU 5 -14.985 4.114 1.855 28 1HB LEU 5 HB2 LEU 5 -17.060 3.894 3.416 29 2HB LEU 5 HB1 LEU 5 -16.678 2.171 3.433 30 HG LEU 5 HG LEU 5 -14.241 3.020 3.982 31 1HD1 LEU 5 HD11 LEU 5 -14.417 5.083 5.454 32 2HD1 LEU 5 HD12 LEU 5 -16.018 5.345 4.764 33 3HD1 LEU 5 HD13 LEU 5 -14.593 5.383 3.725 34 1HD2 LEU 5 HD21 LEU 5 -16.419 3.203 6.085 35 2HD2 LEU 5 HD22 LEU 5 -14.728 2.771 6.341 36 3HD2 LEU 5 HD23 LEU 5 -15.793 1.679 5.454 37 H ARG 6 HN ARG 6 -16.674 1.018 1.217 38 HA ARG 6 HA ARG 6 -14.358 -0.674 1.535 39 1HB ARG 6 HB2 ARG 6 -16.909 -1.203 1.443 40 2HB ARG 6 HB1 ARG 6 -16.696 -1.199 -0.308 41 1HG ARG 6 HG2 ARG 6 -16.302 -3.440 0.156 42 2HG ARG 6 HG1 ARG 6 -14.662 -2.799 0.252 43 1HD ARG 6 HD2 ARG 6 -14.532 -3.131 2.517 44 2HD ARG 6 HD1 ARG 6 -16.225 -2.665 2.779 45 HE ARG 6 HE ARG 6 -16.820 -4.930 1.767 46 1HH1 ARG 6 HH21 ARG 6 -15.470 -5.041 4.544 47 2HH1 ARG 6 HH22 ARG 6 -14.381 -6.367 4.313 48 1HH2 ARG 6 HH11 ARG 6 -14.661 -6.334 0.847 49 2HH2 ARG 6 HH12 ARG 6 -13.922 -7.103 2.212 50 H ASP 7 HN ASP 7 -15.760 1.078 -1.225 51 HA ASP 7 HA ASP 7 -14.192 -0.007 -3.340 52 1HB ASP 7 HB2 ASP 7 -16.220 1.597 -3.326 53 2HB ASP 7 HB1 ASP 7 -15.046 2.885 -3.057 54 H ILE 8 HN ILE 8 -13.497 2.586 -0.998 55 HA ILE 8 HA ILE 8 -10.895 3.218 -2.231 56 HB ILE 8 HB ILE 8 -12.238 4.101 0.351 57 1HG1 ILE 8 HG12 ILE 8 -12.009 5.888 -2.023 58 2HG1 ILE 8 HG11 ILE 8 -13.180 4.574 -2.142 59 1HG2 ILE 8 HG21 ILE 8 -9.640 4.716 -0.916 60 2HG2 ILE 8 HG22 ILE 8 -10.150 4.912 0.760 61 3HG2 ILE 8 HG23 ILE 8 -10.575 6.133 -0.440 62 1HD1 ILE 8 HD11 ILE 8 -13.959 5.346 0.212 63 2HD1 ILE 8 HD12 ILE 8 -14.429 6.322 -1.179 64 3HD1 ILE 8 HD13 ILE 8 -13.090 6.836 -0.154 65 H TRP 9 HN TRP 9 -12.113 1.606 0.722 66 HA TRP 9 HA TRP 9 -9.653 1.123 2.041 67 1HB TRP 9 HB2 TRP 9 -12.068 0.738 2.800 68 2HB TRP 9 HB1 TRP 9 -12.003 -0.783 1.909 69 HD1 TRP 9 HD1 TRP 9 -11.489 -2.708 3.478 70 HE1 TRP 9 HE1 TRP 9 -9.962 -3.078 5.521 71 HE3 TRP 9 HE3 TRP 9 -9.508 1.974 3.958 72 HZ2 TRP 9 HZ2 TRP 9 -8.141 -1.584 7.145 73 HZ3 TRP 9 HZ3 TRP 9 -7.883 2.473 5.760 74 HH2 TRP 9 HH2 TRP 9 -7.196 0.701 7.352 75 H ASP 10 HN ASP 10 -11.285 -0.828 -0.485 76 HA ASP 10 HA ASP 10 -9.479 -3.039 -0.521 77 1HB ASP 10 HB2 ASP 10 -11.674 -2.925 -1.666 78 2HB ASP 10 HB1 ASP 10 -11.036 -1.705 -2.767 79 H TRP 11 HN TRP 11 -9.412 0.040 -2.353 80 HA TRP 11 HA TRP 11 -6.952 -0.528 -3.762 81 1HB TRP 11 HB2 TRP 11 -8.680 1.130 -4.441 82 2HB TRP 11 HB1 TRP 11 -8.277 2.108 -3.028 83 HD1 TRP 11 HD1 TRP 11 -6.673 0.766 -6.263 84 HE1 TRP 11 HE1 TRP 11 -4.750 2.348 -6.931 85 HE3 TRP 11 HE3 TRP 11 -6.693 3.922 -2.250 86 HZ2 TRP 11 HZ2 TRP 11 -3.400 4.651 -5.900 87 HZ3 TRP 11 HZ3 TRP 11 -5.080 5.798 -2.117 88 HH2 TRP 11 HH2 TRP 11 -3.435 6.166 -3.935 89 H ILE 12 HN ILE 12 -7.707 1.143 -0.691 90 HA ILE 12 HA ILE 12 -5.127 2.195 -0.103 91 HB ILE 12 HB ILE 12 -7.445 1.163 1.555 92 1HG1 ILE 12 HG12 ILE 12 -6.345 3.972 1.334 93 2HG1 ILE 12 HG11 ILE 12 -7.487 3.333 0.152 94 1HG2 ILE 12 HG21 ILE 12 -4.816 2.335 2.502 95 2HG2 ILE 12 HG22 ILE 12 -5.576 0.827 3.016 96 3HG2 ILE 12 HG23 ILE 12 -6.282 2.375 3.483 97 1HD1 ILE 12 HD11 ILE 12 -9.182 3.029 1.795 98 2HD1 ILE 12 HD12 ILE 12 -8.495 4.619 2.131 99 3HD1 ILE 12 HD13 ILE 12 -8.038 3.233 3.122 100 H CYS 13 HN CYS 13 -6.496 -1.054 0.410 101 HA CYS 13 HA CYS 13 -4.211 -2.147 1.823 102 1HB CYS 13 HB2 CYS 13 -6.525 -3.052 1.878 103 2HB CYS 13 HB1 CYS 13 -6.406 -3.450 0.164 104 HG CYS 13 HG CYS 13 -4.724 -5.304 0.700 105 H GLU 14 HN GLU 14 -5.199 -1.964 -1.593 106 HA GLU 14 HA GLU 14 -3.222 -3.663 -2.744 107 1HB GLU 14 HB2 GLU 14 -5.193 -1.666 -3.519 108 2HB GLU 14 HB1 GLU 14 -3.746 -1.540 -4.515 109 1HG GLU 14 HG2 GLU 14 -4.224 -3.455 -5.610 110 2HG GLU 14 HG1 GLU 14 -4.529 -4.320 -4.105 111 H VAL 15 HN VAL 15 -3.147 -0.253 -1.803 112 HA VAL 15 HA VAL 15 -0.443 0.208 -2.863 113 HB VAL 15 HB VAL 15 -2.224 1.823 -0.998 114 1HG1 VAL 15 HG11 VAL 15 -0.684 3.617 -2.357 115 2HG1 VAL 15 HG12 VAL 15 0.446 2.271 -2.206 116 3HG1 VAL 15 HG13 VAL 15 -0.273 2.985 -0.762 117 1HG2 VAL 15 HG21 VAL 15 -2.258 3.076 -3.437 118 2HG2 VAL 15 HG22 VAL 15 -3.504 1.960 -2.881 119 3HG2 VAL 15 HG23 VAL 15 -2.203 1.382 -3.923 120 H LEU 16 HN LEU 16 -1.949 -0.520 0.269 121 HA LEU 16 HA LEU 16 0.207 0.012 2.030 122 1HB LEU 16 HB2 LEU 16 -2.199 -0.612 2.535 123 2HB LEU 16 HB1 LEU 16 -1.772 -2.284 2.172 124 HG LEU 16 HG LEU 16 0.215 -1.322 3.952 125 1HD1 LEU 16 HD11 LEU 16 -2.563 -0.823 5.049 126 2HD1 LEU 16 HD12 LEU 16 -1.526 0.470 4.446 127 3HD1 LEU 16 HD13 LEU 16 -1.019 -0.493 5.835 128 1HD2 LEU 16 HD21 LEU 16 -0.529 -3.137 5.311 129 2HD2 LEU 16 HD22 LEU 16 -0.858 -3.635 3.652 130 3HD2 LEU 16 HD23 LEU 16 -2.169 -3.043 4.671 131 H SER 17 HN SER 17 -0.527 -2.984 0.194 132 HA SER 17 HA SER 17 1.628 -4.567 1.216 133 1HB SER 17 HB2 SER 17 1.237 -5.834 -0.946 134 2HB SER 17 HB1 SER 17 -0.220 -5.543 -0.004 135 HG SER 17 HG SER 17 -0.946 -4.314 -1.553 136 H ASP 18 HN ASP 18 1.435 -2.423 -1.649 137 HA ASP 18 HA ASP 18 4.154 -2.876 -2.528 138 1HB ASP 18 HB2 ASP 18 2.392 -1.995 -3.985 139 2HB ASP 18 HB1 ASP 18 2.192 -0.592 -2.935 140 H PHE 19 HN PHE 19 2.620 -0.494 -0.364 141 HA PHE 19 HA PHE 19 4.781 1.291 0.055 142 1HB PHE 19 HB2 PHE 19 2.235 0.823 1.070 143 2HB PHE 19 HB1 PHE 19 3.270 0.541 2.467 144 HD1 PHE 19 HD1 PHE 19 5.282 2.340 2.669 145 HD2 PHE 19 HD2 PHE 19 1.508 3.009 0.729 146 HE1 PHE 19 HE1 PHE 19 5.567 4.784 2.961 147 HE2 PHE 19 HE2 PHE 19 1.794 5.456 1.022 148 HZ PHE 19 HZ PHE 19 3.823 6.343 2.137 149 H LYS 20 HN LYS 20 4.060 -1.847 1.573 150 HA LYS 20 HA LYS 20 6.193 -1.893 3.485 151 1HB LYS 20 HB2 LYS 20 4.140 -3.399 3.253 152 2HB LYS 20 HB1 LYS 20 5.002 -4.233 1.959 153 1HG LYS 20 HG2 LYS 20 6.542 -5.175 3.399 154 2HG LYS 20 HG1 LYS 20 6.437 -3.844 4.553 155 1HD LYS 20 HD2 LYS 20 4.373 -4.634 5.439 156 2HD LYS 20 HD1 LYS 20 4.132 -5.745 4.091 157 1HE LYS 20 HE2 LYS 20 6.654 -6.161 5.594 158 2HE LYS 20 HE1 LYS 20 5.170 -6.516 6.499 159 1HZ LYS 20 HZ1 LYS 20 5.846 -7.530 3.784 160 2HZ LYS 20 HZ2 LYS 20 4.383 -7.819 4.598 161 3HZ LYS 20 HZ3 LYS 20 5.839 -8.444 5.212 162 H THR 21 HN THR 21 6.005 -3.098 0.109 163 HA THR 21 HA THR 21 8.730 -4.066 -0.007 164 HB THR 21 HB THR 21 7.007 -3.063 -2.295 165 HG1 THR 21 HG1 THR 21 6.845 -5.466 -0.804 166 1HG2 THR 21 HG21 THR 21 9.513 -4.088 -2.353 167 2HG2 THR 21 HG22 THR 21 8.345 -4.316 -3.655 168 3HG2 THR 21 HG23 THR 21 8.572 -5.576 -2.442 169 H TRP 22 HN TRP 22 7.174 -0.971 -0.840 170 HA TRP 22 HA TRP 22 9.337 0.357 -2.103 171 1HB TRP 22 HB2 TRP 22 6.854 1.012 -1.653 172 2HB TRP 22 HB1 TRP 22 7.453 1.653 -0.127 173 HD1 TRP 22 HD1 TRP 22 7.423 2.315 -3.846 174 HE1 TRP 22 HE1 TRP 22 8.527 4.598 -4.313 175 HE3 TRP 22 HE3 TRP 22 9.320 3.336 0.781 176 HZ2 TRP 22 HZ2 TRP 22 10.021 6.594 -2.906 177 HZ3 TRP 22 HZ3 TRP 22 10.577 5.431 1.193 178 HH2 TRP 22 HH2 TRP 22 10.929 7.061 -0.644 179 H LEU 23 HN LEU 23 8.463 0.245 1.360 180 HA LEU 23 HA LEU 23 10.644 1.797 2.361 181 1HB LEU 23 HB2 LEU 23 8.555 -0.021 3.341 182 2HB LEU 23 HB1 LEU 23 10.017 -0.069 4.325 183 HG LEU 23 HG LEU 23 9.898 2.540 4.187 184 1HD1 LEU 23 HD11 LEU 23 6.984 1.841 3.735 185 2HD1 LEU 23 HD12 LEU 23 8.046 2.458 2.470 186 3HD1 LEU 23 HD13 LEU 23 7.684 3.452 3.879 187 1HD2 LEU 23 HD21 LEU 23 8.428 2.570 6.180 188 2HD2 LEU 23 HD22 LEU 23 9.569 1.228 6.252 189 3HD2 LEU 23 HD23 LEU 23 7.889 0.934 5.804 190 H LYS 24 HN LYS 24 10.353 -1.730 1.783 191 HA LYS 24 HA LYS 24 12.962 -2.406 2.840 192 1HB LYS 24 HB2 LYS 24 10.811 -3.821 2.271 193 2HB LYS 24 HB1 LYS 24 11.546 -3.941 0.672 194 1HG LYS 24 HG2 LYS 24 13.463 -5.051 1.507 195 2HG LYS 24 HG1 LYS 24 13.119 -4.573 3.170 196 1HD LYS 24 HD2 LYS 24 12.168 -6.615 3.394 197 2HD LYS 24 HD1 LYS 24 10.832 -5.958 2.447 198 1HE LYS 24 HE2 LYS 24 11.861 -6.768 0.369 199 2HE LYS 24 HE1 LYS 24 13.262 -7.369 1.279 200 1HZ LYS 24 HZ1 LYS 24 10.435 -8.200 1.699 201 2HZ LYS 24 HZ2 LYS 24 11.773 -8.753 2.593 202 3HZ LYS 24 HZ3 LYS 24 11.635 -9.133 0.943 203 H ALA 25 HN ALA 25 11.748 -1.574 -0.405 204 HA ALA 25 HA ALA 25 14.147 -2.121 -1.883 205 1HB ALA 25 HB1 ALA 25 12.068 0.023 -2.413 206 2HB ALA 25 HB2 ALA 25 11.773 -1.691 -2.708 207 3HB ALA 25 HB3 ALA 25 13.035 -0.846 -3.604 208 H LYS 26 HN LYS 26 13.006 0.783 -0.152 209 HA LYS 26 HA LYS 26 15.176 2.510 -0.999 210 1HB LYS 26 HB2 LYS 26 12.765 2.877 0.120 211 2HB LYS 26 HB1 LYS 26 13.732 2.888 1.595 212 1HG LYS 26 HG2 LYS 26 14.866 4.494 -0.605 213 2HG LYS 26 HG1 LYS 26 13.314 5.080 -0.007 214 1HD LYS 26 HD2 LYS 26 14.244 4.951 2.328 215 2HD LYS 26 HD1 LYS 26 15.816 4.566 1.626 216 1HE LYS 26 HE2 LYS 26 15.459 6.741 0.214 217 2HE LYS 26 HE1 LYS 26 14.261 7.146 1.459 218 1HZ LYS 26 HZ1 LYS 26 17.120 6.452 1.892 219 2HZ LYS 26 HZ2 LYS 26 15.982 6.612 3.145 220 3HZ LYS 26 HZ3 LYS 26 16.383 7.953 2.181 221 H LEU 27 HN LEU 27 14.741 0.217 1.665 222 HA LEU 27 HA LEU 27 16.927 1.088 3.320 223 1HB LEU 27 HB2 LEU 27 14.951 -0.477 3.821 224 2HB LEU 27 HB1 LEU 27 15.876 -1.735 3.000 225 HG LEU 27 HG LEU 27 17.594 -0.371 4.865 226 1HD1 LEU 27 HD11 LEU 27 15.286 0.078 5.918 227 2HD1 LEU 27 HD12 LEU 27 16.493 -0.706 6.939 228 3HD1 LEU 27 HD13 LEU 27 15.211 -1.662 6.197 229 1HD2 LEU 27 HD21 LEU 27 17.957 -2.624 5.678 230 2HD2 LEU 27 HD22 LEU 27 17.785 -2.704 3.924 231 3HD2 LEU 27 HD23 LEU 27 16.441 -3.175 4.965 232 H MET 28 HN MET 28 16.781 -0.912 0.414 233 HA MET 28 HA MET 28 19.289 -2.267 0.648 234 1HB MET 28 HB2 MET 28 17.418 -2.721 -0.968 235 2HB MET 28 HB1 MET 28 17.871 -1.256 -1.840 236 1HG MET 28 HG2 MET 28 20.116 -2.176 -2.250 237 2HG MET 28 HG1 MET 28 19.694 -3.633 -1.352 238 1HE MET 28 HE1 MET 28 20.606 -2.643 -4.401 239 2HE MET 28 HE2 MET 28 19.867 -3.812 -5.493 240 3HE MET 28 HE3 MET 28 20.760 -4.377 -4.083 241 HA PRO 29 HA PRO 29 21.924 1.309 0.182 242 1HB PRO 29 HB2 PRO 29 24.299 -0.051 0.166 243 2HB PRO 29 HB1 PRO 29 23.377 0.275 1.645 244 1HG PRO 29 HG2 PRO 29 23.562 -2.220 0.040 245 2HG PRO 29 HG1 PRO 29 23.463 -2.011 1.794 246 1HD PRO 29 HD2 PRO 29 21.347 -2.743 0.220 247 2HD PRO 29 HD1 PRO 29 21.182 -1.910 1.782 248 H GLN 30 HN GLN 30 24.116 1.564 -1.300 249 HA GLN 30 HA GLN 30 23.188 1.196 -4.069 250 1HB GLN 30 HB2 GLN 30 25.555 2.511 -2.711 251 2HB GLN 30 HB1 GLN 30 25.385 2.469 -4.466 252 1HG GLN 30 HG2 GLN 30 23.291 3.674 -4.361 253 2HG GLN 30 HG1 GLN 30 23.263 3.565 -2.600 254 1HE2 GLN 30 HE21 GLN 30 25.138 4.709 -1.445 255 2HE2 GLN 30 HE22 GLN 30 25.776 6.108 -2.164 256 H LEU 31 HN LEU 31 23.362 -1.075 -4.464 257 HA LEU 31 HA LEU 31 26.153 -2.185 -4.401 258 1HB LEU 31 HB2 LEU 31 23.592 -3.101 -3.384 259 2HB LEU 31 HB1 LEU 31 24.252 -4.271 -4.523 260 HG LEU 31 HG LEU 31 25.033 -4.753 -2.241 261 1HD1 LEU 31 HD11 LEU 31 26.526 -4.955 -4.373 262 2HD1 LEU 31 HD12 LEU 31 27.288 -5.103 -2.789 263 3HD1 LEU 31 HD13 LEU 31 27.404 -3.589 -3.686 264 1HD2 LEU 31 HD21 LEU 31 26.561 -2.155 -2.276 265 2HD2 LEU 31 HD22 LEU 31 26.184 -3.196 -0.903 266 3HD2 LEU 31 HD23 LEU 31 24.917 -2.216 -1.640 Start of MODEL 11 1 1H SER 1 HT1 SER 1 -24.798 10.182 -5.934 2 2H SER 1 HT2 SER 1 -23.606 9.276 -6.738 3 3H SER 1 HT3 SER 1 -23.332 10.914 -6.379 4 HA SER 1 HA SER 1 -22.116 9.483 -4.832 5 1HB SER 1 HB2 SER 1 -23.950 11.611 -4.339 6 2HB SER 1 HB1 SER 1 -24.049 10.512 -2.967 7 HG SER 1 HG SER 1 -22.378 12.053 -2.713 8 H GLY 2 HN GLY 2 -22.331 7.991 -2.974 9 1HA GLY 2 HA2 GLY 2 -24.689 6.708 -2.123 10 2HA GLY 2 HA1 GLY 2 -24.095 5.780 -3.501 11 H SER 3 HN SER 3 -22.699 4.167 -2.992 12 HA SER 3 HA SER 3 -21.266 4.297 -0.362 13 1HB SER 3 HB2 SER 3 -21.193 1.782 -0.723 14 2HB SER 3 HB1 SER 3 -22.814 2.454 -0.562 15 HG SER 3 HG SER 3 -23.178 1.641 -2.459 16 H TRP 4 HN TRP 4 -19.937 5.796 -2.144 17 HA TRP 4 HA TRP 4 -18.076 4.246 -3.807 18 1HB TRP 4 HB2 TRP 4 -19.035 6.920 -3.526 19 2HB TRP 4 HB1 TRP 4 -17.283 6.972 -3.362 20 HD1 TRP 4 HD1 TRP 4 -19.961 6.751 -5.898 21 HE1 TRP 4 HE1 TRP 4 -18.966 6.254 -8.224 22 HE3 TRP 4 HE3 TRP 4 -15.204 5.470 -4.562 23 HZ2 TRP 4 HZ2 TRP 4 -16.476 5.419 -9.365 24 HZ3 TRP 4 HZ3 TRP 4 -13.543 4.828 -6.283 25 HH2 TRP 4 HH2 TRP 4 -14.172 4.801 -8.682 26 H LEU 5 HN LEU 5 -17.719 3.171 -1.365 27 HA LEU 5 HA LEU 5 -15.204 4.430 -0.306 28 1HB LEU 5 HB2 LEU 5 -17.609 4.083 0.977 29 2HB LEU 5 HB1 LEU 5 -16.752 2.613 1.439 30 HG LEU 5 HG LEU 5 -15.236 5.179 1.586 31 1HD1 LEU 5 HD11 LEU 5 -16.199 5.833 3.675 32 2HD1 LEU 5 HD12 LEU 5 -17.159 4.357 3.773 33 3HD1 LEU 5 HD13 LEU 5 -17.554 5.587 2.573 34 1HD2 LEU 5 HD21 LEU 5 -15.441 2.698 3.327 35 2HD2 LEU 5 HD22 LEU 5 -14.320 4.033 3.598 36 3HD2 LEU 5 HD23 LEU 5 -14.171 3.037 2.150 37 H ARG 6 HN ARG 6 -16.936 1.331 -0.815 38 HA ARG 6 HA ARG 6 -14.882 -0.477 -0.101 39 1HB ARG 6 HB2 ARG 6 -17.378 -0.765 -0.845 40 2HB ARG 6 HB1 ARG 6 -16.701 -0.903 -2.468 41 1HG ARG 6 HG2 ARG 6 -16.371 -3.089 -1.999 42 2HG ARG 6 HG1 ARG 6 -15.061 -2.556 -0.947 43 1HD ARG 6 HD2 ARG 6 -16.205 -3.389 0.822 44 2HD ARG 6 HD1 ARG 6 -17.487 -2.202 0.512 45 HE ARG 6 HE ARG 6 -18.379 -3.893 -1.189 46 1HH1 ARG 6 HH11 ARG 6 -16.272 -5.935 -1.063 47 2HH1 ARG 6 HH12 ARG 6 -16.881 -7.067 0.096 48 1HH2 ARG 6 HH21 ARG 6 -19.226 -4.861 1.409 49 2HH2 ARG 6 HH22 ARG 6 -18.560 -6.457 1.502 50 H ASP 7 HN ASP 7 -15.392 1.266 -3.171 51 HA ASP 7 HA ASP 7 -13.455 -0.059 -4.784 52 1HB ASP 7 HB2 ASP 7 -15.255 1.666 -5.379 53 2HB ASP 7 HB1 ASP 7 -14.126 2.896 -4.813 54 H ILE 8 HN ILE 8 -13.109 2.749 -2.594 55 HA ILE 8 HA ILE 8 -10.220 2.971 -3.103 56 HB ILE 8 HB ILE 8 -12.137 4.280 -1.140 57 1HG1 ILE 8 HG12 ILE 8 -11.039 6.072 -3.068 58 2HG1 ILE 8 HG11 ILE 8 -11.601 4.647 -3.942 59 1HG2 ILE 8 HG21 ILE 8 -9.198 4.707 -1.693 60 2HG2 ILE 8 HG22 ILE 8 -10.007 4.527 -0.137 61 3HG2 ILE 8 HG23 ILE 8 -10.208 6.011 -1.068 62 1HD1 ILE 8 HD11 ILE 8 -13.459 6.180 -3.777 63 2HD1 ILE 8 HD12 ILE 8 -13.209 6.374 -2.043 64 3HD1 ILE 8 HD13 ILE 8 -13.779 4.834 -2.685 65 H TRP 9 HN TRP 9 -12.344 1.500 -0.686 66 HA TRP 9 HA TRP 9 -10.579 1.103 1.478 67 1HB TRP 9 HB2 TRP 9 -13.084 0.558 1.160 68 2HB TRP 9 HB1 TRP 9 -12.538 -0.963 0.454 69 HD1 TRP 9 HD1 TRP 9 -12.516 -2.828 2.167 70 HE1 TRP 9 HE1 TRP 9 -12.004 -3.028 4.685 71 HE3 TRP 9 HE3 TRP 9 -11.452 2.049 3.241 72 HZ2 TRP 9 HZ2 TRP 9 -11.244 -1.342 6.868 73 HZ3 TRP 9 HZ3 TRP 9 -10.838 2.724 5.544 74 HH2 TRP 9 HH2 TRP 9 -10.732 1.036 7.358 75 H ASP 10 HN ASP 10 -11.040 -0.985 -1.410 76 HA ASP 10 HA ASP 10 -9.122 -2.991 -0.696 77 1HB ASP 10 HB2 ASP 10 -10.772 -3.324 -2.443 78 2HB ASP 10 HB1 ASP 10 -10.160 -1.939 -3.349 79 H TRP 11 HN TRP 11 -8.791 0.004 -2.638 80 HA TRP 11 HA TRP 11 -6.043 -0.272 -3.344 81 1HB TRP 11 HB2 TRP 11 -7.481 1.374 -4.375 82 2HB TRP 11 HB1 TRP 11 -7.847 2.113 -2.817 83 HD1 TRP 11 HD1 TRP 11 -4.848 1.567 -5.185 84 HE1 TRP 11 HE1 TRP 11 -3.190 3.513 -4.847 85 HE3 TRP 11 HE3 TRP 11 -7.142 4.025 -1.342 86 HZ2 TRP 11 HZ2 TRP 11 -2.879 5.809 -3.169 87 HZ3 TRP 11 HZ3 TRP 11 -6.146 6.085 -0.394 88 HH2 TRP 11 HH2 TRP 11 -4.019 6.980 -1.301 89 H ILE 12 HN ILE 12 -7.576 1.130 -0.436 90 HA ILE 12 HA ILE 12 -5.218 2.146 0.827 91 HB ILE 12 HB ILE 12 -7.851 1.037 1.860 92 1HG1 ILE 12 HG12 ILE 12 -6.953 3.912 1.883 93 2HG1 ILE 12 HG11 ILE 12 -7.596 3.206 0.402 94 1HG2 ILE 12 HG21 ILE 12 -5.476 2.134 3.316 95 2HG2 ILE 12 HG22 ILE 12 -6.621 0.889 3.816 96 3HG2 ILE 12 HG23 ILE 12 -7.082 2.590 3.886 97 1HD1 ILE 12 HD11 ILE 12 -9.699 2.755 1.394 98 2HD1 ILE 12 HD12 ILE 12 -9.278 4.365 1.976 99 3HD1 ILE 12 HD13 ILE 12 -9.067 2.964 3.027 100 H CYS 13 HN CYS 13 -6.711 -1.087 0.835 101 HA CYS 13 HA CYS 13 -4.916 -2.289 2.758 102 1HB CYS 13 HB2 CYS 13 -7.238 -3.022 1.846 103 2HB CYS 13 HB1 CYS 13 -6.335 -3.697 0.489 104 HG CYS 13 HG CYS 13 -5.765 -5.617 1.934 105 H GLU 14 HN GLU 14 -4.845 -1.865 -0.773 106 HA GLU 14 HA GLU 14 -2.611 -3.596 -1.322 107 1HB GLU 14 HB2 GLU 14 -4.360 -1.704 -2.650 108 2HB GLU 14 HB1 GLU 14 -2.696 -1.470 -3.183 109 1HG GLU 14 HG2 GLU 14 -2.820 -3.317 -4.459 110 2HG GLU 14 HG1 GLU 14 -3.217 -4.288 -3.041 111 H VAL 15 HN VAL 15 -2.867 -0.129 -0.583 112 HA VAL 15 HA VAL 15 -0.071 0.503 -0.911 113 HB VAL 15 HB VAL 15 -2.310 1.751 0.723 114 1HG1 VAL 15 HG11 VAL 15 -0.502 2.815 1.681 115 2HG1 VAL 15 HG12 VAL 15 -0.662 3.813 0.235 116 3HG1 VAL 15 HG13 VAL 15 0.542 2.525 0.288 117 1HG2 VAL 15 HG21 VAL 15 -1.692 3.384 -1.438 118 2HG2 VAL 15 HG22 VAL 15 -3.057 2.271 -1.355 119 3HG2 VAL 15 HG23 VAL 15 -1.548 1.760 -2.110 120 H LEU 16 HN LEU 16 -1.995 -0.716 1.816 121 HA LEU 16 HA LEU 16 -0.087 -0.357 3.915 122 1HB LEU 16 HB2 LEU 16 -2.502 -0.957 4.144 123 2HB LEU 16 HB1 LEU 16 -2.144 -2.555 3.488 124 HG LEU 16 HG LEU 16 -0.304 -1.975 5.628 125 1HD1 LEU 16 HD11 LEU 16 -2.046 -0.451 6.461 126 2HD1 LEU 16 HD12 LEU 16 -1.937 -1.880 7.489 127 3HD1 LEU 16 HD13 LEU 16 -3.249 -1.733 6.320 128 1HD2 LEU 16 HD21 LEU 16 -1.124 -4.090 6.470 129 2HD2 LEU 16 HD22 LEU 16 -1.056 -4.208 4.712 130 3HD2 LEU 16 HD23 LEU 16 -2.603 -3.951 5.519 131 H SER 17 HN SER 17 -0.663 -3.148 1.732 132 HA SER 17 HA SER 17 1.587 -4.687 2.774 133 1HB SER 17 HB2 SER 17 1.045 -6.087 0.739 134 2HB SER 17 HB1 SER 17 -0.343 -5.777 1.776 135 HG SER 17 HG SER 17 0.270 -4.804 -0.767 136 H ASP 18 HN ASP 18 1.036 -2.496 0.033 137 HA ASP 18 HA ASP 18 3.531 -2.939 -1.329 138 1HB ASP 18 HB2 ASP 18 1.628 -1.881 -2.398 139 2HB ASP 18 HB1 ASP 18 1.603 -0.602 -1.185 140 H PHE 19 HN PHE 19 2.587 -0.803 1.354 141 HA PHE 19 HA PHE 19 4.683 1.032 1.480 142 1HB PHE 19 HB2 PHE 19 2.647 0.024 3.137 143 2HB PHE 19 HB1 PHE 19 4.124 -0.164 4.077 144 HD1 PHE 19 HD1 PHE 19 5.779 1.928 3.960 145 HD2 PHE 19 HD2 PHE 19 1.550 2.083 3.215 146 HE1 PHE 19 HE1 PHE 19 5.782 4.359 4.451 147 HE2 PHE 19 HE2 PHE 19 1.554 4.514 3.704 148 HZ PHE 19 HZ PHE 19 3.669 5.652 4.322 149 H LYS 20 HN LYS 20 4.725 -2.353 2.626 150 HA LYS 20 HA LYS 20 7.398 -2.316 3.701 151 1HB LYS 20 HB2 LYS 20 5.502 -3.975 4.087 152 2HB LYS 20 HB1 LYS 20 5.881 -4.653 2.504 153 1HG LYS 20 HG2 LYS 20 8.255 -4.311 4.189 154 2HG LYS 20 HG1 LYS 20 7.063 -5.401 4.897 155 1HD LYS 20 HD2 LYS 20 6.962 -6.580 2.650 156 2HD LYS 20 HD1 LYS 20 8.357 -5.615 2.169 157 1HE LYS 20 HE2 LYS 20 9.397 -7.551 3.000 158 2HE LYS 20 HE1 LYS 20 9.378 -6.524 4.446 159 1HZ LYS 20 HZ1 LYS 20 7.475 -7.575 5.263 160 2HZ LYS 20 HZ2 LYS 20 8.412 -8.861 4.669 161 3HZ LYS 20 HZ3 LYS 20 7.093 -8.282 3.768 162 H THR 21 HN THR 21 6.100 -3.125 0.474 163 HA THR 21 HA THR 21 8.709 -3.895 -0.611 164 HB THR 21 HB THR 21 6.230 -3.120 -2.162 165 HG1 THR 21 HG1 THR 21 6.724 -5.519 -0.728 166 1HG2 THR 21 HG21 THR 21 7.938 -5.519 -2.690 167 2HG2 THR 21 HG22 THR 21 8.579 -3.929 -3.104 168 3HG2 THR 21 HG23 THR 21 7.071 -4.487 -3.827 169 H TRP 22 HN TRP 22 6.641 -1.003 -0.653 170 HA TRP 22 HA TRP 22 7.940 0.577 -2.601 171 1HB TRP 22 HB2 TRP 22 5.847 0.921 -1.036 172 2HB TRP 22 HB1 TRP 22 7.008 1.692 0.039 173 HD1 TRP 22 HD1 TRP 22 5.480 2.035 -3.459 174 HE1 TRP 22 HE1 TRP 22 5.833 4.456 -4.274 175 HE3 TRP 22 HE3 TRP 22 8.436 3.812 0.308 176 HZ2 TRP 22 HZ2 TRP 22 7.189 6.834 -3.435 177 HZ3 TRP 22 HZ3 TRP 22 9.243 6.154 0.276 178 HH2 TRP 22 HH2 TRP 22 8.623 7.667 -1.588 179 H LEU 23 HN LEU 23 8.616 0.388 0.906 180 HA LEU 23 HA LEU 23 10.948 2.087 0.854 181 1HB LEU 23 HB2 LEU 23 9.517 0.278 2.706 182 2HB LEU 23 HB1 LEU 23 11.240 0.448 3.042 183 HG LEU 23 HG LEU 23 10.744 3.019 2.702 184 1HD1 LEU 23 HD11 LEU 23 8.490 3.643 3.429 185 2HD1 LEU 23 HD12 LEU 23 8.043 1.943 3.568 186 3HD1 LEU 23 HD13 LEU 23 8.393 2.637 1.984 187 1HD2 LEU 23 HD21 LEU 23 10.512 3.238 5.078 188 2HD2 LEU 23 HD22 LEU 23 11.445 1.765 4.815 189 3HD2 LEU 23 HD23 LEU 23 9.731 1.663 5.215 190 H LYS 24 HN LYS 24 10.519 -1.453 0.602 191 HA LYS 24 HA LYS 24 13.306 -2.163 0.677 192 1HB LYS 24 HB2 LYS 24 10.707 -3.366 0.156 193 2HB LYS 24 HB1 LYS 24 11.924 -4.004 -0.948 194 1HG LYS 24 HG2 LYS 24 12.292 -3.840 2.058 195 2HG LYS 24 HG1 LYS 24 11.743 -5.285 1.211 196 1HD LYS 24 HD2 LYS 24 14.314 -3.883 0.462 197 2HD LYS 24 HD1 LYS 24 14.263 -5.125 1.712 198 1HE LYS 24 HE2 LYS 24 12.953 -5.778 -0.898 199 2HE LYS 24 HE1 LYS 24 14.726 -5.759 -0.852 200 1HZ LYS 24 HZ1 LYS 24 12.995 -7.187 1.101 201 2HZ LYS 24 HZ2 LYS 24 14.695 -7.208 1.056 202 3HZ LYS 24 HZ3 LYS 24 13.799 -7.929 -0.195 203 H ALA 25 HN ALA 25 11.110 -1.324 -2.011 204 HA ALA 25 HA ALA 25 13.122 -1.784 -4.081 205 1HB ALA 25 HB1 ALA 25 10.564 -0.170 -4.232 206 2HB ALA 25 HB2 ALA 25 10.574 -1.934 -4.237 207 3HB ALA 25 HB3 ALA 25 11.366 -1.045 -5.537 208 H LYS 26 HN LYS 26 12.216 0.919 -2.030 209 HA LYS 26 HA LYS 26 13.380 2.989 -3.732 210 1HB LYS 26 HB2 LYS 26 11.541 2.996 -1.806 211 2HB LYS 26 HB1 LYS 26 12.946 3.286 -0.781 212 1HG LYS 26 HG2 LYS 26 12.237 5.456 -1.378 213 2HG LYS 26 HG1 LYS 26 13.561 5.126 -2.497 214 1HD LYS 26 HD2 LYS 26 11.765 4.247 -4.112 215 2HD LYS 26 HD1 LYS 26 10.591 5.016 -3.045 216 1HE LYS 26 HE2 LYS 26 12.936 6.656 -3.941 217 2HE LYS 26 HE1 LYS 26 11.627 6.359 -5.102 218 1HZ LYS 26 HZ1 LYS 26 10.026 7.147 -3.531 219 2HZ LYS 26 HZ2 LYS 26 11.238 8.330 -3.670 220 3HZ LYS 26 HZ3 LYS 26 11.201 7.303 -2.317 221 H LEU 27 HN LEU 27 14.436 1.218 -0.796 222 HA LEU 27 HA LEU 27 17.236 2.125 -1.384 223 1HB LEU 27 HB2 LEU 27 15.984 3.361 0.482 224 2HB LEU 27 HB1 LEU 27 16.033 1.845 1.381 225 HG LEU 27 HG LEU 27 18.573 1.870 0.933 226 1HD1 LEU 27 HD11 LEU 27 17.842 4.739 0.274 227 2HD1 LEU 27 HD12 LEU 27 18.633 3.578 -0.792 228 3HD1 LEU 27 HD13 LEU 27 19.482 4.193 0.625 229 1HD2 LEU 27 HD21 LEU 27 17.142 3.837 2.732 230 2HD2 LEU 27 HD22 LEU 27 18.892 3.623 2.792 231 3HD2 LEU 27 HD23 LEU 27 17.826 2.267 3.159 232 H MET 28 HN MET 28 18.619 0.414 -1.507 233 HA MET 28 HA MET 28 18.441 -1.907 0.241 234 1HB MET 28 HB2 MET 28 16.959 -1.853 -2.235 235 2HB MET 28 HB1 MET 28 18.211 -3.092 -2.333 236 1HG MET 28 HG2 MET 28 16.826 -3.054 0.257 237 2HG MET 28 HG1 MET 28 15.757 -3.405 -1.100 238 1HE MET 28 HE1 MET 28 19.402 -4.210 0.206 239 2HE MET 28 HE2 MET 28 19.122 -5.887 0.666 240 3HE MET 28 HE3 MET 28 18.151 -4.609 1.392 241 HA PRO 29 HA PRO 29 22.106 -2.570 -2.720 242 1HB PRO 29 HB2 PRO 29 22.316 -1.070 -5.002 243 2HB PRO 29 HB1 PRO 29 21.437 -2.604 -4.930 244 1HG PRO 29 HG2 PRO 29 20.390 0.172 -4.907 245 2HG PRO 29 HG1 PRO 29 19.716 -1.285 -5.652 246 1HD PRO 29 HD2 PRO 29 18.825 -0.201 -3.295 247 2HD PRO 29 HD1 PRO 29 18.629 -1.905 -3.755 248 H GLN 30 HN GLN 30 22.184 0.626 -4.158 249 HA GLN 30 HA GLN 30 23.502 2.514 -3.671 250 1HB GLN 30 HB2 GLN 30 21.680 2.493 -1.898 251 2HB GLN 30 HB1 GLN 30 22.849 1.740 -0.812 252 1HG GLN 30 HG2 GLN 30 23.950 3.688 -0.465 253 2HG GLN 30 HG1 GLN 30 23.912 4.113 -2.176 254 1HE2 GLN 30 HE21 GLN 30 22.085 5.379 -2.955 255 2HE2 GLN 30 HE22 GLN 30 20.994 6.120 -1.886 256 H LEU 31 HN LEU 31 25.389 1.111 -4.403 257 HA LEU 31 HA LEU 31 27.133 0.007 -2.300 258 1HB LEU 31 HB2 LEU 31 28.502 -0.659 -4.213 259 2HB LEU 31 HB1 LEU 31 26.811 -1.008 -4.566 260 HG LEU 31 HG LEU 31 27.252 1.654 -5.424 261 1HD1 LEU 31 HD11 LEU 31 29.116 1.378 -7.012 262 2HD1 LEU 31 HD12 LEU 31 29.418 -0.243 -6.386 263 3HD1 LEU 31 HD13 LEU 31 29.676 1.165 -5.353 264 1HD2 LEU 31 HD21 LEU 31 26.804 0.671 -7.649 265 2HD2 LEU 31 HD22 LEU 31 25.720 -0.002 -6.431 266 3HD2 LEU 31 HD23 LEU 31 27.103 -0.940 -6.997 Start of MODEL 12 1 1H SER 1 HT1 SER 1 -12.199 2.793 -9.068 2 2H SER 1 HT2 SER 1 -13.283 4.063 -9.384 3 3H SER 1 HT3 SER 1 -11.659 4.189 -9.866 4 HA SER 1 HA SER 1 -12.910 3.688 -11.817 5 1HB SER 1 HB2 SER 1 -11.434 1.337 -10.593 6 2HB SER 1 HB1 SER 1 -11.845 1.453 -12.302 7 HG SER 1 HG SER 1 -10.174 2.696 -12.527 8 H GLY 2 HN GLY 2 -13.353 0.956 -9.504 9 1HA GLY 2 HA2 GLY 2 -15.799 0.118 -10.887 10 2HA GLY 2 HA1 GLY 2 -15.101 -0.643 -9.458 11 H SER 3 HN SER 3 -15.054 1.213 -7.549 12 HA SER 3 HA SER 3 -17.792 2.430 -7.442 13 1HB SER 3 HB2 SER 3 -18.092 1.448 -5.251 14 2HB SER 3 HB1 SER 3 -17.579 0.158 -6.336 15 HG SER 3 HG SER 3 -15.624 0.146 -5.413 16 H TRP 4 HN TRP 4 -17.570 3.459 -4.840 17 HA TRP 4 HA TRP 4 -15.333 5.431 -5.153 18 1HB TRP 4 HB2 TRP 4 -18.096 5.740 -5.004 19 2HB TRP 4 HB1 TRP 4 -17.555 6.120 -3.369 20 HD1 TRP 4 HD1 TRP 4 -17.687 7.491 -6.835 21 HE1 TRP 4 HE1 TRP 4 -16.513 9.783 -6.922 22 HE3 TRP 4 HE3 TRP 4 -15.431 7.499 -2.254 23 HZ2 TRP 4 HZ2 TRP 4 -14.838 11.408 -5.264 24 HZ3 TRP 4 HZ3 TRP 4 -14.055 9.429 -1.533 25 HH2 TRP 4 HH2 TRP 4 -13.756 11.382 -3.031 26 H LEU 5 HN LEU 5 -17.252 3.660 -2.692 27 HA LEU 5 HA LEU 5 -15.314 4.302 -0.571 28 1HB LEU 5 HB2 LEU 5 -17.820 4.159 -0.309 29 2HB LEU 5 HB1 LEU 5 -17.696 2.421 -0.585 30 HG LEU 5 HG LEU 5 -15.776 3.258 1.416 31 1HD1 LEU 5 HD11 LEU 5 -17.178 4.139 3.103 32 2HD1 LEU 5 HD12 LEU 5 -18.648 3.695 2.235 33 3HD1 LEU 5 HD13 LEU 5 -17.650 5.029 1.655 34 1HD2 LEU 5 HD21 LEU 5 -16.663 0.955 1.014 35 2HD2 LEU 5 HD22 LEU 5 -18.240 1.492 1.596 36 3HD2 LEU 5 HD23 LEU 5 -16.856 1.471 2.690 37 H ARG 6 HN ARG 6 -16.484 1.275 -2.138 38 HA ARG 6 HA ARG 6 -14.627 -0.475 -0.836 39 1HB ARG 6 HB2 ARG 6 -16.803 -0.833 -2.308 40 2HB ARG 6 HB1 ARG 6 -15.632 -0.970 -3.619 41 1HG ARG 6 HG2 ARG 6 -14.391 -2.661 -2.167 42 2HG ARG 6 HG1 ARG 6 -15.807 -2.661 -1.116 43 1HD ARG 6 HD2 ARG 6 -16.654 -4.264 -2.493 44 2HD ARG 6 HD1 ARG 6 -16.877 -2.971 -3.688 45 HE ARG 6 HE ARG 6 -14.152 -4.078 -3.584 46 1HH1 ARG 6 HH11 ARG 6 -15.108 -2.845 -6.054 47 2HH1 ARG 6 HH12 ARG 6 -15.563 -4.195 -7.039 48 1HH2 ARG 6 HH21 ARG 6 -15.669 -6.427 -4.372 49 2HH2 ARG 6 HH22 ARG 6 -15.879 -6.235 -6.081 50 H ASP 7 HN ASP 7 -14.388 1.371 -3.883 51 HA ASP 7 HA ASP 7 -11.962 0.202 -4.857 52 1HB ASP 7 HB2 ASP 7 -13.772 2.349 -5.458 53 2HB ASP 7 HB1 ASP 7 -12.125 2.972 -5.538 54 H ILE 8 HN ILE 8 -12.515 3.083 -2.792 55 HA ILE 8 HA ILE 8 -9.701 3.715 -2.492 56 HB ILE 8 HB ILE 8 -12.262 4.441 -1.045 57 1HG1 ILE 8 HG12 ILE 8 -10.336 6.093 -2.713 58 2HG1 ILE 8 HG11 ILE 8 -11.789 5.326 -3.355 59 1HG2 ILE 8 HG21 ILE 8 -10.607 4.611 0.677 60 2HG2 ILE 8 HG22 ILE 8 -10.815 6.246 0.050 61 3HG2 ILE 8 HG23 ILE 8 -9.418 5.288 -0.436 62 1HD1 ILE 8 HD11 ILE 8 -13.107 6.581 -1.586 63 2HD1 ILE 8 HD12 ILE 8 -12.378 7.596 -2.830 64 3HD1 ILE 8 HD13 ILE 8 -11.633 7.484 -1.236 65 H TRP 9 HN TRP 9 -12.068 1.990 -0.418 66 HA TRP 9 HA TRP 9 -10.330 1.440 1.777 67 1HB TRP 9 HB2 TRP 9 -12.883 1.173 1.486 68 2HB TRP 9 HB1 TRP 9 -12.513 -0.386 0.749 69 HD1 TRP 9 HD1 TRP 9 -12.786 -2.236 2.457 70 HE1 TRP 9 HE1 TRP 9 -12.236 -2.548 4.956 71 HE3 TRP 9 HE3 TRP 9 -10.924 2.396 3.540 72 HZ2 TRP 9 HZ2 TRP 9 -11.152 -1.035 7.127 73 HZ3 TRP 9 HZ3 TRP 9 -10.141 2.932 5.828 74 HH2 TRP 9 HH2 TRP 9 -10.252 1.225 7.622 75 H ASP 10 HN ASP 10 -11.059 -0.524 -1.134 76 HA ASP 10 HA ASP 10 -9.368 -2.744 -0.504 77 1HB ASP 10 HB2 ASP 10 -11.186 -2.520 -2.276 78 2HB ASP 10 HB1 ASP 10 -10.016 -1.625 -3.248 79 H TRP 11 HN TRP 11 -8.713 0.288 -2.294 80 HA TRP 11 HA TRP 11 -6.021 -0.330 -3.075 81 1HB TRP 11 HB2 TRP 11 -7.511 1.501 -3.943 82 2HB TRP 11 HB1 TRP 11 -7.278 2.357 -2.419 83 HD1 TRP 11 HD1 TRP 11 -5.251 1.044 -5.421 84 HE1 TRP 11 HE1 TRP 11 -3.129 2.487 -5.657 85 HE3 TRP 11 HE3 TRP 11 -5.719 3.985 -1.274 86 HZ2 TRP 11 HZ2 TRP 11 -1.803 4.609 -4.270 87 HZ3 TRP 11 HZ3 TRP 11 -4.015 5.707 -0.755 88 HH2 TRP 11 HH2 TRP 11 -2.059 6.023 -2.246 89 H ILE 12 HN ILE 12 -7.355 1.239 -0.151 90 HA ILE 12 HA ILE 12 -4.881 1.974 1.081 91 HB ILE 12 HB ILE 12 -7.631 1.207 2.111 92 1HG1 ILE 12 HG12 ILE 12 -6.276 3.907 2.173 93 2HG1 ILE 12 HG11 ILE 12 -7.134 3.350 0.737 94 1HG2 ILE 12 HG21 ILE 12 -6.438 0.801 4.057 95 2HG2 ILE 12 HG22 ILE 12 -6.662 2.546 4.199 96 3HG2 ILE 12 HG23 ILE 12 -5.131 1.898 3.610 97 1HD1 ILE 12 HD11 ILE 12 -8.634 4.678 2.161 98 2HD1 ILE 12 HD12 ILE 12 -8.313 3.602 3.521 99 3HD1 ILE 12 HD13 ILE 12 -9.171 2.998 2.103 100 H CYS 13 HN CYS 13 -6.684 -1.085 1.000 101 HA CYS 13 HA CYS 13 -5.054 -2.485 2.948 102 1HB CYS 13 HB2 CYS 13 -7.428 -2.975 2.053 103 2HB CYS 13 HB1 CYS 13 -6.623 -3.682 0.651 104 HG CYS 13 HG CYS 13 -5.377 -5.312 2.403 105 H GLU 14 HN GLU 14 -5.019 -2.252 -0.627 106 HA GLU 14 HA GLU 14 -2.854 -4.105 -1.048 107 1HB GLU 14 HB2 GLU 14 -4.475 -2.153 -2.530 108 2HB GLU 14 HB1 GLU 14 -2.830 -2.292 -3.144 109 1HG GLU 14 HG2 GLU 14 -4.694 -4.636 -2.664 110 2HG GLU 14 HG1 GLU 14 -4.393 -3.901 -4.237 111 H VAL 15 HN VAL 15 -3.004 -0.597 -0.548 112 HA VAL 15 HA VAL 15 -0.202 -0.055 -0.994 113 HB VAL 15 HB VAL 15 -2.443 1.330 0.513 114 1HG1 VAL 15 HG11 VAL 15 -0.507 2.173 1.592 115 2HG1 VAL 15 HG12 VAL 15 -0.844 3.353 0.325 116 3HG1 VAL 15 HG13 VAL 15 0.434 2.158 0.099 117 1HG2 VAL 15 HG21 VAL 15 -1.024 2.049 -2.070 118 2HG2 VAL 15 HG22 VAL 15 -2.483 2.793 -1.417 119 3HG2 VAL 15 HG23 VAL 15 -2.529 1.131 -2.003 120 H LEU 16 HN LEU 16 -2.076 -1.110 1.826 121 HA LEU 16 HA LEU 16 -0.135 -0.626 3.870 122 1HB LEU 16 HB2 LEU 16 -2.629 -1.312 3.969 123 2HB LEU 16 HB1 LEU 16 -2.053 -2.964 3.749 124 HG LEU 16 HG LEU 16 -0.426 -2.360 5.726 125 1HD1 LEU 16 HD11 LEU 16 -0.888 -0.026 5.960 126 2HD1 LEU 16 HD12 LEU 16 -1.675 -0.806 7.332 127 3HD1 LEU 16 HD13 LEU 16 -2.630 -0.297 5.939 128 1HD2 LEU 16 HD21 LEU 16 -2.255 -3.040 7.345 129 2HD2 LEU 16 HD22 LEU 16 -2.094 -4.089 5.937 130 3HD2 LEU 16 HD23 LEU 16 -3.396 -2.901 6.007 131 H SER 17 HN SER 17 -0.696 -3.488 1.785 132 HA SER 17 HA SER 17 1.558 -4.976 2.921 133 1HB SER 17 HB2 SER 17 0.991 -6.464 0.908 134 2HB SER 17 HB1 SER 17 -0.312 -6.206 2.064 135 HG SER 17 HG SER 17 -0.821 -5.907 -0.243 136 H ASP 18 HN ASP 18 0.945 -3.073 -0.037 137 HA ASP 18 HA ASP 18 3.483 -3.586 -1.303 138 1HB ASP 18 HB2 ASP 18 1.216 -2.564 -2.152 139 2HB ASP 18 HB1 ASP 18 1.906 -1.036 -1.604 140 H PHE 19 HN PHE 19 2.488 -1.367 1.251 141 HA PHE 19 HA PHE 19 4.494 0.617 1.132 142 1HB PHE 19 HB2 PHE 19 2.486 -0.273 2.881 143 2HB PHE 19 HB1 PHE 19 3.964 -0.344 3.834 144 HD1 PHE 19 HD1 PHE 19 1.819 1.881 1.771 145 HD2 PHE 19 HD2 PHE 19 5.108 1.643 4.524 146 HE1 PHE 19 HE1 PHE 19 1.779 4.345 2.033 147 HE2 PHE 19 HE2 PHE 19 5.066 4.108 4.786 148 HZ PHE 19 HZ PHE 19 3.402 5.460 3.541 149 H LYS 20 HN LYS 20 4.656 -2.701 2.399 150 HA LYS 20 HA LYS 20 7.267 -2.492 3.609 151 1HB LYS 20 HB2 LYS 20 5.556 -4.251 4.054 152 2HB LYS 20 HB1 LYS 20 5.808 -4.882 2.427 153 1HG LYS 20 HG2 LYS 20 7.176 -6.241 3.811 154 2HG LYS 20 HG1 LYS 20 8.293 -5.091 3.077 155 1HD LYS 20 HD2 LYS 20 7.794 -3.640 5.197 156 2HD LYS 20 HD1 LYS 20 7.242 -5.162 5.895 157 1HE LYS 20 HE2 LYS 20 9.413 -6.200 5.491 158 2HE LYS 20 HE1 LYS 20 9.980 -4.752 4.637 159 1HZ LYS 20 HZ1 LYS 20 9.167 -4.951 7.489 160 2HZ LYS 20 HZ2 LYS 20 9.441 -3.475 6.692 161 3HZ LYS 20 HZ3 LYS 20 10.711 -4.588 6.888 162 H THR 21 HN THR 21 6.178 -3.333 0.317 163 HA THR 21 HA THR 21 8.947 -3.914 -0.551 164 HB THR 21 HB THR 21 7.606 -4.160 -2.787 165 HG1 THR 21 HG1 THR 21 5.693 -3.296 -2.457 166 1HG2 THR 21 HG21 THR 21 6.745 -6.377 -2.043 167 2HG2 THR 21 HG22 THR 21 7.062 -5.906 -0.373 168 3HG2 THR 21 HG23 THR 21 8.400 -6.075 -1.511 169 H TRP 22 HN TRP 22 6.426 -1.450 -1.151 170 HA TRP 22 HA TRP 22 7.779 0.096 -3.114 171 1HB TRP 22 HB2 TRP 22 5.385 0.186 -1.995 172 2HB TRP 22 HB1 TRP 22 6.152 1.345 -0.915 173 HD1 TRP 22 HD1 TRP 22 4.882 0.935 -4.442 174 HE1 TRP 22 HE1 TRP 22 5.100 3.176 -5.698 175 HE3 TRP 22 HE3 TRP 22 7.666 3.573 -1.068 176 HZ2 TRP 22 HZ2 TRP 22 6.296 5.746 -5.321 177 HZ3 TRP 22 HZ3 TRP 22 8.330 5.913 -1.544 178 HH2 TRP 22 HH2 TRP 22 7.649 7.001 -3.664 179 H LEU 23 HN LEU 23 7.811 0.428 0.451 180 HA LEU 23 HA LEU 23 9.614 2.640 0.598 181 1HB LEU 23 HB2 LEU 23 8.573 0.491 2.370 182 2HB LEU 23 HB1 LEU 23 10.063 1.260 2.903 183 HG LEU 23 HG LEU 23 8.033 2.397 3.799 184 1HD1 LEU 23 HD11 LEU 23 10.233 3.583 3.235 185 2HD1 LEU 23 HD12 LEU 23 8.807 4.609 3.392 186 3HD1 LEU 23 HD13 LEU 23 9.417 4.184 1.793 187 1HD2 LEU 23 HD21 LEU 23 6.636 1.918 1.733 188 2HD2 LEU 23 HD22 LEU 23 7.520 3.212 0.924 189 3HD2 LEU 23 HD23 LEU 23 6.524 3.572 2.334 190 H LYS 24 HN LYS 24 10.258 -0.894 0.588 191 HA LYS 24 HA LYS 24 13.139 -0.589 0.893 192 1HB LYS 24 HB2 LYS 24 11.550 -2.587 1.396 193 2HB LYS 24 HB1 LYS 24 11.700 -2.949 -0.325 194 1HG LYS 24 HG2 LYS 24 14.106 -3.153 -0.138 195 2HG LYS 24 HG1 LYS 24 14.069 -2.590 1.534 196 1HD LYS 24 HD2 LYS 24 12.552 -4.592 2.025 197 2HD LYS 24 HD1 LYS 24 13.001 -5.195 0.429 198 1HE LYS 24 HE2 LYS 24 15.391 -5.145 1.068 199 2HE LYS 24 HE1 LYS 24 14.944 -4.542 2.677 200 1HZ LYS 24 HZ1 LYS 24 15.115 -6.917 2.788 201 2HZ LYS 24 HZ2 LYS 24 14.102 -7.111 1.438 202 3HZ LYS 24 HZ3 LYS 24 13.474 -6.508 2.898 203 H ALA 25 HN ALA 25 10.913 -0.878 -1.856 204 HA ALA 25 HA ALA 25 12.788 -1.358 -3.946 205 1HB ALA 25 HB1 ALA 25 10.904 -0.072 -5.251 206 2HB ALA 25 HB2 ALA 25 10.077 -0.071 -3.693 207 3HB ALA 25 HB3 ALA 25 10.510 -1.599 -4.461 208 H LYS 26 HN LYS 26 12.058 1.583 -2.153 209 HA LYS 26 HA LYS 26 13.634 3.224 -4.086 210 1HB LYS 26 HB2 LYS 26 11.268 3.604 -2.629 211 2HB LYS 26 HB1 LYS 26 12.465 4.592 -1.791 212 1HG LYS 26 HG2 LYS 26 12.576 4.761 -4.739 213 2HG LYS 26 HG1 LYS 26 11.100 5.402 -4.019 214 1HD LYS 26 HD2 LYS 26 12.177 7.197 -3.155 215 2HD LYS 26 HD1 LYS 26 13.504 6.205 -2.551 216 1HE LYS 26 HE2 LYS 26 14.506 7.625 -4.195 217 2HE LYS 26 HE1 LYS 26 14.278 6.077 -5.030 218 1HZ LYS 26 HZ1 LYS 26 13.408 8.046 -6.270 219 2HZ LYS 26 HZ2 LYS 26 12.259 8.261 -5.036 220 3HZ LYS 26 HZ3 LYS 26 12.248 6.843 -5.975 221 H LEU 27 HN LEU 27 13.708 1.943 -0.789 222 HA LEU 27 HA LEU 27 15.856 3.648 0.172 223 1HB LEU 27 HB2 LEU 27 14.085 1.620 1.129 224 2HB LEU 27 HB1 LEU 27 15.728 1.113 1.515 225 HG LEU 27 HG LEU 27 15.801 3.788 2.154 226 1HD1 LEU 27 HD11 LEU 27 13.774 4.233 3.483 227 2HD1 LEU 27 HD12 LEU 27 13.085 2.697 2.957 228 3HD1 LEU 27 HD13 LEU 27 13.364 3.986 1.786 229 1HD2 LEU 27 HD21 LEU 27 16.544 1.701 3.445 230 2HD2 LEU 27 HD22 LEU 27 14.903 1.639 4.090 231 3HD2 LEU 27 HD23 LEU 27 15.928 3.036 4.420 232 H MET 28 HN MET 28 15.713 0.402 -1.305 233 HA MET 28 HA MET 28 18.403 -0.404 -0.925 234 1HB MET 28 HB2 MET 28 16.187 -0.968 -2.850 235 2HB MET 28 HB1 MET 28 17.795 -1.566 -3.262 236 1HG MET 28 HG2 MET 28 17.938 -2.859 -1.266 237 2HG MET 28 HG1 MET 28 16.558 -2.031 -0.544 238 1HE MET 28 HE1 MET 28 17.126 -4.089 -4.161 239 2HE MET 28 HE2 MET 28 16.821 -5.563 -3.247 240 3HE MET 28 HE3 MET 28 18.063 -4.439 -2.702 241 HA PRO 29 HA PRO 29 19.565 1.691 -5.080 242 1HB PRO 29 HB2 PRO 29 17.765 3.401 -6.234 243 2HB PRO 29 HB1 PRO 29 17.817 1.664 -6.590 244 1HG PRO 29 HG2 PRO 29 15.985 3.178 -4.803 245 2HG PRO 29 HG1 PRO 29 15.643 1.810 -5.873 246 1HD PRO 29 HD2 PRO 29 15.945 1.576 -3.172 247 2HD PRO 29 HD1 PRO 29 16.288 0.266 -4.319 248 H GLN 30 HN GLN 30 19.640 4.276 -5.858 249 HA GLN 30 HA GLN 30 20.351 5.722 -3.372 250 1HB GLN 30 HB2 GLN 30 21.523 7.202 -4.926 251 2HB GLN 30 HB1 GLN 30 21.866 5.529 -5.360 252 1HG GLN 30 HG2 GLN 30 20.542 5.611 -7.277 253 2HG GLN 30 HG1 GLN 30 19.540 6.921 -6.654 254 1HE2 GLN 30 HE21 GLN 30 20.310 9.117 -6.920 255 2HE2 GLN 30 HE22 GLN 30 21.672 9.482 -7.865 256 H LEU 31 HN LEU 31 19.955 8.340 -3.967 257 HA LEU 31 HA LEU 31 17.019 8.621 -3.809 258 1HB LEU 31 HB2 LEU 31 19.456 10.327 -3.356 259 2HB LEU 31 HB1 LEU 31 17.879 11.100 -3.515 260 HG LEU 31 HG LEU 31 17.177 9.202 -1.777 261 1HD1 LEU 31 HD11 LEU 31 19.224 8.035 -1.532 262 2HD1 LEU 31 HD12 LEU 31 19.147 9.070 -0.106 263 3HD1 LEU 31 HD13 LEU 31 20.164 9.526 -1.473 264 1HD2 LEU 31 HD21 LEU 31 16.981 11.639 -1.431 265 2HD2 LEU 31 HD22 LEU 31 18.695 11.721 -1.026 266 3HD2 LEU 31 HD23 LEU 31 17.582 10.846 0.024 Start of MODEL 13 1 1H SER 1 HT1 SER 1 -25.291 -0.995 4.247 2 2H SER 1 HT2 SER 1 -25.747 0.085 5.477 3 3H SER 1 HT3 SER 1 -24.188 0.167 4.805 4 HA SER 1 HA SER 1 -26.697 0.699 3.289 5 1HB SER 1 HB2 SER 1 -24.630 2.573 4.489 6 2HB SER 1 HB1 SER 1 -26.065 3.055 3.588 7 HG SER 1 HG SER 1 -26.983 3.026 5.482 8 H GLY 2 HN GLY 2 -26.038 2.045 1.296 9 1HA GLY 2 HA2 GLY 2 -23.885 0.649 -0.113 10 2HA GLY 2 HA1 GLY 2 -24.941 1.888 -0.797 11 H SER 3 HN SER 3 -22.036 1.361 1.141 12 HA SER 3 HA SER 3 -21.369 4.269 0.953 13 1HB SER 3 HB2 SER 3 -21.204 2.316 2.965 14 2HB SER 3 HB1 SER 3 -19.539 2.562 2.447 15 HG SER 3 HG SER 3 -20.744 4.043 4.101 16 H TRP 4 HN TRP 4 -19.829 4.914 -0.498 17 HA TRP 4 HA TRP 4 -18.491 2.979 -2.233 18 1HB TRP 4 HB2 TRP 4 -19.389 5.472 -2.564 19 2HB TRP 4 HB1 TRP 4 -17.741 5.874 -2.086 20 HD1 TRP 4 HD1 TRP 4 -19.591 3.671 -4.664 21 HE1 TRP 4 HE1 TRP 4 -18.120 3.490 -6.772 22 HE3 TRP 4 HE3 TRP 4 -15.464 6.226 -3.083 23 HZ2 TRP 4 HZ2 TRP 4 -15.535 4.318 -7.668 24 HZ3 TRP 4 HZ3 TRP 4 -13.512 6.514 -4.582 25 HH2 TRP 4 HH2 TRP 4 -13.543 5.565 -6.872 26 H LEU 5 HN LEU 5 -17.747 4.302 0.842 27 HA LEU 5 HA LEU 5 -14.931 4.668 0.748 28 1HB LEU 5 HB2 LEU 5 -17.070 4.316 2.699 29 2HB LEU 5 HB1 LEU 5 -15.579 3.556 3.246 30 HG LEU 5 HG LEU 5 -15.673 5.903 3.981 31 1HD1 LEU 5 HD11 LEU 5 -13.641 6.005 1.801 32 2HD1 LEU 5 HD12 LEU 5 -13.529 4.666 2.943 33 3HD1 LEU 5 HD13 LEU 5 -13.459 6.330 3.525 34 1HD2 LEU 5 HD21 LEU 5 -15.737 7.727 2.387 35 2HD2 LEU 5 HD22 LEU 5 -17.105 6.667 2.049 36 3HD2 LEU 5 HD23 LEU 5 -15.668 6.604 1.029 37 H ARG 6 HN ARG 6 -16.859 1.701 0.878 38 HA ARG 6 HA ARG 6 -14.895 -0.159 1.745 39 1HB ARG 6 HB2 ARG 6 -17.506 -0.212 0.924 40 2HB ARG 6 HB1 ARG 6 -16.712 -0.989 -0.446 41 1HG ARG 6 HG2 ARG 6 -16.322 -2.871 0.735 42 2HG ARG 6 HG1 ARG 6 -15.659 -1.961 2.092 43 1HD ARG 6 HD2 ARG 6 -18.134 -1.363 2.635 44 2HD ARG 6 HD1 ARG 6 -18.533 -2.729 1.572 45 HE ARG 6 HE ARG 6 -16.868 -2.936 4.049 46 1HH1 ARG 6 HH11 ARG 6 -19.675 -4.138 3.610 47 2HH1 ARG 6 HH12 ARG 6 -19.270 -5.800 3.335 48 1HH2 ARG 6 HH21 ARG 6 -15.899 -5.158 2.772 49 2HH2 ARG 6 HH22 ARG 6 -17.124 -6.379 2.859 50 H ASP 7 HN ASP 7 -15.627 0.998 -1.574 51 HA ASP 7 HA ASP 7 -13.622 -0.574 -2.912 52 1HB ASP 7 HB2 ASP 7 -15.445 0.430 -4.129 53 2HB ASP 7 HB1 ASP 7 -15.042 2.036 -3.524 54 H ILE 8 HN ILE 8 -13.597 2.765 -1.616 55 HA ILE 8 HA ILE 8 -10.949 3.493 -2.404 56 HB ILE 8 HB ILE 8 -12.689 4.244 -0.025 57 1HG1 ILE 8 HG12 ILE 8 -12.126 6.056 -2.333 58 2HG1 ILE 8 HG11 ILE 8 -13.219 4.702 -2.618 59 1HG2 ILE 8 HG21 ILE 8 -10.158 5.543 -1.082 60 2HG2 ILE 8 HG22 ILE 8 -10.371 4.794 0.501 61 3HG2 ILE 8 HG23 ILE 8 -11.238 6.277 0.104 62 1HD1 ILE 8 HD11 ILE 8 -13.587 6.452 -0.198 63 2HD1 ILE 8 HD12 ILE 8 -14.777 5.458 -1.039 64 3HD1 ILE 8 HD13 ILE 8 -14.214 6.963 -1.765 65 H TRP 9 HN TRP 9 -12.170 1.884 0.544 66 HA TRP 9 HA TRP 9 -9.656 1.641 1.912 67 1HB TRP 9 HB2 TRP 9 -11.987 1.376 2.841 68 2HB TRP 9 HB1 TRP 9 -12.096 -0.168 1.995 69 HD1 TRP 9 HD1 TRP 9 -11.755 -2.038 3.676 70 HE1 TRP 9 HE1 TRP 9 -10.133 -2.501 5.624 71 HE3 TRP 9 HE3 TRP 9 -9.144 2.353 3.717 72 HZ2 TRP 9 HZ2 TRP 9 -8.008 -1.185 7.017 73 HZ3 TRP 9 HZ3 TRP 9 -7.329 2.720 5.363 74 HH2 TRP 9 HH2 TRP 9 -6.759 0.960 7.011 75 H ASP 10 HN ASP 10 -11.308 -0.389 -0.492 76 HA ASP 10 HA ASP 10 -9.629 -2.702 -0.356 77 1HB ASP 10 HB2 ASP 10 -11.862 -2.396 -1.508 78 2HB ASP 10 HB1 ASP 10 -11.022 -1.489 -2.767 79 H TRP 11 HN TRP 11 -9.412 0.252 -2.372 80 HA TRP 11 HA TRP 11 -7.009 -0.517 -3.777 81 1HB TRP 11 HB2 TRP 11 -8.559 1.191 -4.589 82 2HB TRP 11 HB1 TRP 11 -8.294 2.163 -3.142 83 HD1 TRP 11 HD1 TRP 11 -6.517 0.990 -6.327 84 HE1 TRP 11 HE1 TRP 11 -4.519 2.558 -6.776 85 HE3 TRP 11 HE3 TRP 11 -6.641 3.816 -2.078 86 HZ2 TRP 11 HZ2 TRP 11 -3.154 4.726 -5.500 87 HZ3 TRP 11 HZ3 TRP 11 -4.983 5.622 -1.718 88 HH2 TRP 11 HH2 TRP 11 -3.241 6.080 -3.422 89 H ILE 12 HN ILE 12 -7.618 1.360 -0.794 90 HA ILE 12 HA ILE 12 -4.952 2.229 -0.274 91 HB ILE 12 HB ILE 12 -7.365 1.545 1.423 92 1HG1 ILE 12 HG12 ILE 12 -5.992 4.207 1.004 93 2HG1 ILE 12 HG11 ILE 12 -7.203 3.598 -0.125 94 1HG2 ILE 12 HG21 ILE 12 -6.095 2.789 3.270 95 2HG2 ILE 12 HG22 ILE 12 -4.637 2.500 2.322 96 3HG2 ILE 12 HG23 ILE 12 -5.571 1.139 2.944 97 1HD1 ILE 12 HD11 ILE 12 -8.284 5.040 1.528 98 2HD1 ILE 12 HD12 ILE 12 -7.603 4.082 2.844 99 3HD1 ILE 12 HD13 ILE 12 -8.808 3.373 1.767 100 H CYS 13 HN CYS 13 -6.598 -0.851 0.397 101 HA CYS 13 HA CYS 13 -4.469 -2.039 1.961 102 1HB CYS 13 HB2 CYS 13 -6.925 -2.686 1.844 103 2HB CYS 13 HB1 CYS 13 -6.595 -3.383 0.258 104 HG CYS 13 HG CYS 13 -5.230 -4.418 2.882 105 H GLU 14 HN GLU 14 -5.256 -1.927 -1.509 106 HA GLU 14 HA GLU 14 -3.376 -3.876 -2.435 107 1HB GLU 14 HB2 GLU 14 -5.134 -1.790 -3.455 108 2HB GLU 14 HB1 GLU 14 -3.628 -1.851 -4.367 109 1HG GLU 14 HG2 GLU 14 -4.030 -3.979 -5.162 110 2HG GLU 14 HG1 GLU 14 -4.957 -4.449 -3.737 111 H VAL 15 HN VAL 15 -3.110 -0.372 -1.912 112 HA VAL 15 HA VAL 15 -0.360 -0.133 -2.802 113 HB VAL 15 HB VAL 15 -2.087 1.574 -0.968 114 1HG1 VAL 15 HG11 VAL 15 0.641 1.924 -2.138 115 2HG1 VAL 15 HG12 VAL 15 -0.003 2.494 -0.598 116 3HG1 VAL 15 HG13 VAL 15 -0.417 3.336 -2.091 117 1HG2 VAL 15 HG21 VAL 15 -3.249 1.791 -2.926 118 2HG2 VAL 15 HG22 VAL 15 -1.903 1.207 -3.905 119 3HG2 VAL 15 HG23 VAL 15 -1.933 2.883 -3.356 120 H LEU 16 HN LEU 16 -1.905 -0.954 0.266 121 HA LEU 16 HA LEU 16 0.254 -0.504 2.068 122 1HB LEU 16 HB2 LEU 16 -2.176 -1.072 2.541 123 2HB LEU 16 HB1 LEU 16 -1.792 -2.744 2.134 124 HG LEU 16 HG LEU 16 0.128 -1.615 4.022 125 1HD1 LEU 16 HD11 LEU 16 -1.944 -0.340 4.670 126 2HD1 LEU 16 HD12 LEU 16 -1.347 -1.417 5.932 127 3HD1 LEU 16 HD13 LEU 16 -2.742 -1.886 4.960 128 1HD2 LEU 16 HD21 LEU 16 -0.170 -3.720 5.087 129 2HD2 LEU 16 HD22 LEU 16 -0.378 -4.057 3.369 130 3HD2 LEU 16 HD23 LEU 16 -1.789 -3.919 4.418 131 H SER 17 HN SER 17 -0.489 -3.289 -0.043 132 HA SER 17 HA SER 17 1.523 -5.075 0.956 133 1HB SER 17 HB2 SER 17 -0.360 -4.867 -1.230 134 2HB SER 17 HB1 SER 17 1.182 -5.462 -1.836 135 HG SER 17 HG SER 17 1.106 -7.111 -0.330 136 H ASP 18 HN ASP 18 1.585 -2.705 -1.734 137 HA ASP 18 HA ASP 18 4.377 -3.147 -2.385 138 1HB ASP 18 HB2 ASP 18 2.761 -2.214 -3.977 139 2HB ASP 18 HB1 ASP 18 2.463 -0.844 -2.907 140 H PHE 19 HN PHE 19 2.630 -0.974 -0.184 141 HA PHE 19 HA PHE 19 4.574 0.943 0.466 142 1HB PHE 19 HB2 PHE 19 2.119 0.197 1.376 143 2HB PHE 19 HB1 PHE 19 3.124 -0.342 2.720 144 HD1 PHE 19 HD1 PHE 19 1.849 2.551 0.872 145 HD2 PHE 19 HD2 PHE 19 4.539 1.263 3.964 146 HE1 PHE 19 HE1 PHE 19 2.046 4.889 1.676 147 HE2 PHE 19 HE2 PHE 19 4.734 3.599 4.768 148 HZ PHE 19 HZ PHE 19 3.489 5.413 3.625 149 H LYS 20 HN LYS 20 4.283 -2.402 1.648 150 HA LYS 20 HA LYS 20 6.492 -2.301 3.509 151 1HB LYS 20 HB2 LYS 20 4.563 -3.957 3.353 152 2HB LYS 20 HB1 LYS 20 5.396 -4.678 1.976 153 1HG LYS 20 HG2 LYS 20 7.431 -4.918 3.494 154 2HG LYS 20 HG1 LYS 20 6.367 -4.499 4.836 155 1HD LYS 20 HD2 LYS 20 5.250 -6.568 3.074 156 2HD LYS 20 HD1 LYS 20 6.755 -7.053 3.856 157 1HE LYS 20 HE2 LYS 20 5.070 -7.677 5.418 158 2HE LYS 20 HE1 LYS 20 5.665 -6.125 6.039 159 1HZ LYS 20 HZ1 LYS 20 3.402 -6.354 4.128 160 2HZ LYS 20 HZ2 LYS 20 3.897 -4.973 4.986 161 3HZ LYS 20 HZ3 LYS 20 3.188 -6.278 5.807 162 H THR 21 HN THR 21 6.227 -3.430 0.116 163 HA THR 21 HA THR 21 9.026 -4.167 -0.119 164 HB THR 21 HB THR 21 7.120 -3.447 -2.360 165 HG1 THR 21 HG1 THR 21 5.860 -4.964 -1.685 166 1HG2 THR 21 HG21 THR 21 9.385 -5.422 -2.021 167 2HG2 THR 21 HG22 THR 21 9.313 -4.046 -3.121 168 3HG2 THR 21 HG23 THR 21 8.280 -5.449 -3.395 169 H TRP 22 HN TRP 22 7.137 -1.308 -1.167 170 HA TRP 22 HA TRP 22 9.263 0.080 -2.482 171 1HB TRP 22 HB2 TRP 22 6.605 0.448 -2.085 172 2HB TRP 22 HB1 TRP 22 7.239 1.618 -0.931 173 HD1 TRP 22 HD1 TRP 22 6.689 1.070 -4.587 174 HE1 TRP 22 HE1 TRP 22 7.615 3.071 -5.925 175 HE3 TRP 22 HE3 TRP 22 9.284 3.471 -0.901 176 HZ2 TRP 22 HZ2 TRP 22 9.240 5.385 -5.487 177 HZ3 TRP 22 HZ3 TRP 22 10.511 5.568 -1.389 178 HH2 TRP 22 HH2 TRP 22 10.491 6.527 -3.674 179 H LEU 23 HN LEU 23 8.186 0.096 0.915 180 HA LEU 23 HA LEU 23 10.011 2.118 1.846 181 1HB LEU 23 HB2 LEU 23 8.181 0.065 2.950 182 2HB LEU 23 HB1 LEU 23 9.488 0.547 4.024 183 HG LEU 23 HG LEU 23 7.345 1.915 4.215 184 1HD1 LEU 23 HD11 LEU 23 9.394 2.784 5.136 185 2HD1 LEU 23 HD12 LEU 23 8.616 4.100 4.256 186 3HD1 LEU 23 HD13 LEU 23 9.981 3.244 3.538 187 1HD2 LEU 23 HD21 LEU 23 8.311 3.290 1.708 188 2HD2 LEU 23 HD22 LEU 23 6.749 3.440 2.515 189 3HD2 LEU 23 HD23 LEU 23 7.141 1.973 1.620 190 H LYS 24 HN LYS 24 10.312 -1.456 1.613 191 HA LYS 24 HA LYS 24 12.831 -1.561 3.048 192 1HB LYS 24 HB2 LYS 24 12.671 -3.841 2.633 193 2HB LYS 24 HB1 LYS 24 10.991 -3.369 2.412 194 1HG LYS 24 HG2 LYS 24 11.256 -4.529 0.450 195 2HG LYS 24 HG1 LYS 24 11.876 -2.976 -0.106 196 1HD LYS 24 HD2 LYS 24 13.740 -4.136 -0.675 197 2HD LYS 24 HD1 LYS 24 14.111 -4.098 1.048 198 1HE LYS 24 HE2 LYS 24 12.982 -6.268 1.362 199 2HE LYS 24 HE1 LYS 24 12.563 -6.306 -0.362 200 1HZ LYS 24 HZ1 LYS 24 14.612 -7.511 -0.004 201 2HZ LYS 24 HZ2 LYS 24 15.308 -6.174 0.781 202 3HZ LYS 24 HZ3 LYS 24 14.942 -6.095 -0.878 203 H ALA 25 HN ALA 25 11.976 -0.861 -0.284 204 HA ALA 25 HA ALA 25 14.671 -1.311 -1.354 205 1HB ALA 25 HB1 ALA 25 13.645 -0.430 -3.397 206 2HB ALA 25 HB2 ALA 25 12.271 0.177 -2.473 207 3HB ALA 25 HB3 ALA 25 12.530 -1.560 -2.629 208 H LYS 26 HN LYS 26 12.786 1.438 -0.140 209 HA LYS 26 HA LYS 26 14.795 3.419 -0.978 210 1HB LYS 26 HB2 LYS 26 13.210 4.988 -0.038 211 2HB LYS 26 HB1 LYS 26 12.292 3.756 -0.899 212 1HG LYS 26 HG2 LYS 26 11.463 2.815 1.044 213 2HG LYS 26 HG1 LYS 26 12.847 3.319 2.010 214 1HD LYS 26 HD2 LYS 26 11.163 5.484 0.849 215 2HD LYS 26 HD1 LYS 26 10.458 4.549 2.169 216 1HE LYS 26 HE2 LYS 26 13.198 5.186 2.827 217 2HE LYS 26 HE1 LYS 26 12.328 6.671 2.396 218 1HZ LYS 26 HZ1 LYS 26 10.477 5.860 3.830 219 2HZ LYS 26 HZ2 LYS 26 11.897 6.227 4.687 220 3HZ LYS 26 HZ3 LYS 26 11.490 4.609 4.365 221 H LEU 27 HN LEU 27 14.516 1.269 1.666 222 HA LEU 27 HA LEU 27 15.740 3.046 3.672 223 1HB LEU 27 HB2 LEU 27 14.230 0.650 3.599 224 2HB LEU 27 HB1 LEU 27 15.793 0.219 4.292 225 HG LEU 27 HG LEU 27 15.410 2.453 5.682 226 1HD1 LEU 27 HD11 LEU 27 13.064 2.836 6.192 227 2HD1 LEU 27 HD12 LEU 27 12.580 1.501 5.147 228 3HD1 LEU 27 HD13 LEU 27 13.284 2.958 4.447 229 1HD2 LEU 27 HD21 LEU 27 15.683 0.215 6.658 230 2HD2 LEU 27 HD22 LEU 27 14.013 -0.183 6.254 231 3HD2 LEU 27 HD23 LEU 27 14.358 1.060 7.456 232 H MET 28 HN MET 28 16.735 0.086 1.892 233 HA MET 28 HA MET 28 19.527 0.401 2.808 234 1HB MET 28 HB2 MET 28 18.042 -1.578 1.053 235 2HB MET 28 HB1 MET 28 19.762 -1.714 1.416 236 1HG MET 28 HG2 MET 28 19.364 -2.042 3.732 237 2HG MET 28 HG1 MET 28 17.702 -1.466 3.610 238 1HE MET 28 HE1 MET 28 16.361 -2.810 4.391 239 2HE MET 28 HE2 MET 28 17.190 -4.226 5.033 240 3HE MET 28 HE3 MET 28 15.889 -4.432 3.864 241 HA PRO 29 HA PRO 29 20.285 2.829 -0.907 242 1HB PRO 29 HB2 PRO 29 22.813 3.608 -0.210 243 2HB PRO 29 HB1 PRO 29 21.352 4.376 0.438 244 1HG PRO 29 HG2 PRO 29 23.168 2.397 1.698 245 2HG PRO 29 HG1 PRO 29 22.287 3.747 2.426 246 1HD PRO 29 HD2 PRO 29 21.517 1.108 2.589 247 2HD PRO 29 HD1 PRO 29 20.426 2.494 2.791 248 H GLN 30 HN GLN 30 22.679 2.929 -2.177 249 HA GLN 30 HA GLN 30 23.524 0.073 -2.556 250 1HB GLN 30 HB2 GLN 30 23.552 0.562 -4.982 251 2HB GLN 30 HB1 GLN 30 21.951 0.847 -4.303 252 1HG GLN 30 HG2 GLN 30 23.235 3.302 -3.995 253 2HG GLN 30 HG1 GLN 30 23.795 2.735 -5.567 254 1HE2 GLN 30 HE21 GLN 30 20.738 3.134 -3.689 255 2HE2 GLN 30 HE22 GLN 30 19.776 3.453 -5.049 256 H LEU 31 HN LEU 31 25.018 1.616 -0.866 257 HA LEU 31 HA LEU 31 27.202 2.412 -0.487 258 1HB LEU 31 HB2 LEU 31 27.248 0.318 -2.310 259 2HB LEU 31 HB1 LEU 31 28.202 1.556 -3.122 260 HG LEU 31 HG LEU 31 29.677 0.187 -1.747 261 1HD1 LEU 31 HD11 LEU 31 29.241 2.803 -0.289 262 2HD1 LEU 31 HD12 LEU 31 30.008 2.702 -1.874 263 3HD1 LEU 31 HD13 LEU 31 30.753 1.916 -0.482 264 1HD2 LEU 31 HD21 LEU 31 27.837 -0.519 -0.156 265 2HD2 LEU 31 HD22 LEU 31 28.013 1.046 0.638 266 3HD2 LEU 31 HD23 LEU 31 29.358 -0.095 0.627 Start of MODEL 14 1 1H SER 1 HT1 SER 1 -16.358 -2.837 -4.179 2 2H SER 1 HT2 SER 1 -17.615 -2.594 -3.062 3 3H SER 1 HT3 SER 1 -16.752 -1.266 -3.679 4 HA SER 1 HA SER 1 -17.667 -1.559 -5.854 5 1HB SER 1 HB2 SER 1 -18.910 -4.049 -4.636 6 2HB SER 1 HB1 SER 1 -19.077 -3.523 -6.308 7 HG SER 1 HG SER 1 -17.406 -4.883 -6.410 8 H GLY 2 HN GLY 2 -19.893 -2.872 -3.349 9 1HA GLY 2 HA2 GLY 2 -21.698 -0.561 -3.872 10 2HA GLY 2 HA1 GLY 2 -22.178 -2.075 -3.104 11 H SER 3 HN SER 3 -19.720 0.474 -2.525 12 HA SER 3 HA SER 3 -20.806 1.060 0.133 13 1HB SER 3 HB2 SER 3 -19.623 -1.124 0.412 14 2HB SER 3 HB1 SER 3 -18.141 -0.367 -0.164 15 HG SER 3 HG SER 3 -19.131 -0.390 2.293 16 H TRP 4 HN TRP 4 -19.257 2.630 1.298 17 HA TRP 4 HA TRP 4 -18.014 4.446 -0.728 18 1HB TRP 4 HB2 TRP 4 -19.884 4.860 1.245 19 2HB TRP 4 HB1 TRP 4 -18.399 5.342 2.065 20 HD1 TRP 4 HD1 TRP 4 -20.885 6.503 -0.447 21 HE1 TRP 4 HE1 TRP 4 -20.139 8.751 -1.464 22 HE3 TRP 4 HE3 TRP 4 -16.095 6.714 1.306 23 HZ2 TRP 4 HZ2 TRP 4 -17.813 10.419 -1.524 24 HZ3 TRP 4 HZ3 TRP 4 -14.638 8.640 0.756 25 HH2 TRP 4 HH2 TRP 4 -15.490 10.491 -0.657 26 H LEU 5 HN LEU 5 -17.432 3.201 2.592 27 HA LEU 5 HA LEU 5 -14.594 3.987 2.482 28 1HB LEU 5 HB2 LEU 5 -16.575 2.952 4.443 29 2HB LEU 5 HB1 LEU 5 -14.898 2.493 4.738 30 HG LEU 5 HG LEU 5 -14.561 5.120 4.161 31 1HD1 LEU 5 HD11 LEU 5 -16.933 5.590 3.903 32 2HD1 LEU 5 HD12 LEU 5 -16.368 6.351 5.391 33 3HD1 LEU 5 HD13 LEU 5 -17.288 4.847 5.463 34 1HD2 LEU 5 HD21 LEU 5 -15.334 3.969 6.863 35 2HD2 LEU 5 HD22 LEU 5 -14.438 5.466 6.605 36 3HD2 LEU 5 HD23 LEU 5 -13.720 3.920 6.151 37 H ARG 6 HN ARG 6 -16.457 0.924 2.645 38 HA ARG 6 HA ARG 6 -14.284 -0.901 2.592 39 1HB ARG 6 HB2 ARG 6 -16.814 -1.252 2.931 40 2HB ARG 6 HB1 ARG 6 -16.932 -1.270 1.173 41 1HG ARG 6 HG2 ARG 6 -16.667 -3.541 1.656 42 2HG ARG 6 HG1 ARG 6 -15.008 -3.045 1.324 43 1HD ARG 6 HD2 ARG 6 -14.573 -2.791 3.734 44 2HD ARG 6 HD1 ARG 6 -16.253 -3.236 4.093 45 HE ARG 6 HE ARG 6 -14.885 -5.192 2.401 46 1HH1 ARG 6 HH11 ARG 6 -13.125 -5.106 4.763 47 2HH1 ARG 6 HH12 ARG 6 -13.888 -6.205 5.863 48 1HH2 ARG 6 HH21 ARG 6 -16.930 -6.185 4.178 49 2HH2 ARG 6 HH22 ARG 6 -16.053 -6.817 5.531 50 H ASP 7 HN ASP 7 -15.975 0.717 -0.113 51 HA ASP 7 HA ASP 7 -14.680 -0.668 -2.261 52 1HB ASP 7 HB2 ASP 7 -16.726 0.816 -2.331 53 2HB ASP 7 HB1 ASP 7 -15.654 2.208 -2.159 54 H ILE 8 HN ILE 8 -13.869 2.445 -0.661 55 HA ILE 8 HA ILE 8 -11.440 2.869 -2.189 56 HB ILE 8 HB ILE 8 -12.570 3.977 0.400 57 1HG1 ILE 8 HG12 ILE 8 -12.189 5.320 -2.289 58 2HG1 ILE 8 HG11 ILE 8 -13.659 4.438 -1.876 59 1HG2 ILE 8 HG21 ILE 8 -10.814 5.841 -0.124 60 2HG2 ILE 8 HG22 ILE 8 -9.987 4.576 -1.035 61 3HG2 ILE 8 HG23 ILE 8 -10.270 4.375 0.694 62 1HD1 ILE 8 HD11 ILE 8 -12.520 6.810 -0.367 63 2HD1 ILE 8 HD12 ILE 8 -13.951 5.899 0.114 64 3HD1 ILE 8 HD13 ILE 8 -13.957 6.821 -1.389 65 H TRP 9 HN TRP 9 -12.193 1.206 0.852 66 HA TRP 9 HA TRP 9 -9.589 0.971 1.964 67 1HB TRP 9 HB2 TRP 9 -12.207 -0.399 2.114 68 2HB TRP 9 HB1 TRP 9 -10.834 -1.400 2.584 69 HD1 TRP 9 HD1 TRP 9 -13.226 0.655 4.183 70 HE1 TRP 9 HE1 TRP 9 -12.330 1.759 6.333 71 HE3 TRP 9 HE3 TRP 9 -8.210 -0.010 3.492 72 HZ2 TRP 9 HZ2 TRP 9 -9.817 2.289 7.594 73 HZ3 TRP 9 HZ3 TRP 9 -6.590 0.803 5.181 74 HH2 TRP 9 HH2 TRP 9 -7.386 1.951 7.229 75 H ASP 10 HN ASP 10 -11.184 -0.920 -0.601 76 HA ASP 10 HA ASP 10 -9.250 -3.016 -0.848 77 1HB ASP 10 HB2 ASP 10 -11.541 -2.903 -1.867 78 2HB ASP 10 HB1 ASP 10 -10.949 -1.669 -2.980 79 H TRP 11 HN TRP 11 -9.492 0.185 -2.429 80 HA TRP 11 HA TRP 11 -7.116 -0.079 -4.045 81 1HB TRP 11 HB2 TRP 11 -8.802 1.546 -4.596 82 2HB TRP 11 HB1 TRP 11 -8.749 2.245 -2.978 83 HD1 TRP 11 HD1 TRP 11 -6.499 1.848 -6.090 84 HE1 TRP 11 HE1 TRP 11 -4.864 3.840 -6.160 85 HE3 TRP 11 HE3 TRP 11 -7.722 4.151 -1.700 86 HZ2 TRP 11 HZ2 TRP 11 -4.168 6.112 -4.566 87 HZ3 TRP 11 HZ3 TRP 11 -6.560 6.225 -1.001 88 HH2 TRP 11 HH2 TRP 11 -4.785 7.208 -2.426 89 H ILE 12 HN ILE 12 -7.716 1.214 -0.768 90 HA ILE 12 HA ILE 12 -5.115 2.307 -0.282 91 HB ILE 12 HB ILE 12 -7.254 1.084 1.494 92 1HG1 ILE 12 HG12 ILE 12 -6.454 3.987 1.220 93 2HG1 ILE 12 HG11 ILE 12 -7.621 3.248 0.123 94 1HG2 ILE 12 HG21 ILE 12 -5.325 0.923 2.848 95 2HG2 ILE 12 HG22 ILE 12 -6.011 2.485 3.293 96 3HG2 ILE 12 HG23 ILE 12 -4.633 2.408 2.195 97 1HD1 ILE 12 HD11 ILE 12 -8.543 4.425 2.238 98 2HD1 ILE 12 HD12 ILE 12 -7.938 3.019 3.114 99 3HD1 ILE 12 HD13 ILE 12 -9.161 2.817 1.861 100 H CYS 13 HN CYS 13 -6.401 -0.992 -0.006 101 HA CYS 13 HA CYS 13 -4.080 -2.152 1.286 102 1HB CYS 13 HB2 CYS 13 -6.450 -3.036 1.209 103 2HB CYS 13 HB1 CYS 13 -6.179 -3.447 -0.485 104 HG CYS 13 HG CYS 13 -4.416 -5.194 0.228 105 H GLU 14 HN GLU 14 -5.109 -1.747 -2.111 106 HA GLU 14 HA GLU 14 -3.075 -3.332 -3.349 107 1HB GLU 14 HB2 GLU 14 -5.175 -1.494 -4.045 108 2HB GLU 14 HB1 GLU 14 -3.732 -1.078 -4.966 109 1HG GLU 14 HG2 GLU 14 -4.529 -3.962 -4.763 110 2HG GLU 14 HG1 GLU 14 -5.409 -2.913 -5.874 111 H VAL 15 HN VAL 15 -3.109 0.013 -2.215 112 HA VAL 15 HA VAL 15 -0.435 0.618 -3.294 113 HB VAL 15 HB VAL 15 -2.224 2.101 -1.329 114 1HG1 VAL 15 HG11 VAL 15 -0.353 3.375 -1.140 115 2HG1 VAL 15 HG12 VAL 15 -0.781 3.964 -2.747 116 3HG1 VAL 15 HG13 VAL 15 0.393 2.659 -2.569 117 1HG2 VAL 15 HG21 VAL 15 -2.338 1.721 -4.251 118 2HG2 VAL 15 HG22 VAL 15 -2.377 3.411 -3.751 119 3HG2 VAL 15 HG23 VAL 15 -3.587 2.284 -3.141 120 H LEU 16 HN LEU 16 -1.898 -0.270 -0.183 121 HA LEU 16 HA LEU 16 0.269 0.243 1.575 122 1HB LEU 16 HB2 LEU 16 -2.115 -0.403 2.105 123 2HB LEU 16 HB1 LEU 16 -1.708 -2.058 1.655 124 HG LEU 16 HG LEU 16 0.296 -1.103 3.469 125 1HD1 LEU 16 HD11 LEU 16 -1.444 0.516 4.197 126 2HD1 LEU 16 HD12 LEU 16 -1.082 -0.669 5.452 127 3HD1 LEU 16 HD13 LEU 16 -2.550 -0.827 4.486 128 1HD2 LEU 16 HD21 LEU 16 -0.343 -3.064 4.715 129 2HD2 LEU 16 HD22 LEU 16 -0.516 -3.464 3.007 130 3HD2 LEU 16 HD23 LEU 16 -1.943 -3.085 3.971 131 H SER 17 HN SER 17 -0.433 -2.685 -0.381 132 HA SER 17 HA SER 17 1.722 -4.295 0.602 133 1HB SER 17 HB2 SER 17 1.358 -5.482 -1.609 134 2HB SER 17 HB1 SER 17 -0.110 -5.232 -0.669 135 HG SER 17 HG SER 17 -0.837 -4.061 -2.249 136 H ASP 18 HN ASP 18 1.546 -2.067 -2.197 137 HA ASP 18 HA ASP 18 4.262 -2.471 -3.084 138 1HB ASP 18 HB2 ASP 18 2.626 -1.530 -4.567 139 2HB ASP 18 HB1 ASP 18 2.187 -0.283 -3.401 140 H PHE 19 HN PHE 19 2.745 -0.113 -0.868 141 HA PHE 19 HA PHE 19 5.013 1.541 -0.367 142 1HB PHE 19 HB2 PHE 19 2.364 1.174 0.555 143 2HB PHE 19 HB1 PHE 19 3.383 1.064 1.988 144 HD1 PHE 19 HD1 PHE 19 4.664 2.961 2.780 145 HD2 PHE 19 HD2 PHE 19 2.368 3.214 -0.842 146 HE1 PHE 19 HE1 PHE 19 4.948 5.423 2.773 147 HE2 PHE 19 HE2 PHE 19 2.653 5.679 -0.848 148 HZ PHE 19 HZ PHE 19 3.943 6.783 0.959 149 H LYS 20 HN LYS 20 4.011 -1.566 1.039 150 HA LYS 20 HA LYS 20 5.945 -1.718 3.149 151 1HB LYS 20 HB2 LYS 20 3.826 -3.128 2.589 152 2HB LYS 20 HB1 LYS 20 4.904 -4.063 1.551 153 1HG LYS 20 HG2 LYS 20 6.019 -3.567 4.223 154 2HG LYS 20 HG1 LYS 20 4.523 -4.500 4.256 155 1HD LYS 20 HD2 LYS 20 6.597 -5.250 2.234 156 2HD LYS 20 HD1 LYS 20 6.882 -5.693 3.917 157 1HE LYS 20 HE2 LYS 20 4.144 -6.262 2.913 158 2HE LYS 20 HE1 LYS 20 5.441 -7.247 2.210 159 1HZ LYS 20 HZ1 LYS 20 6.252 -7.723 4.436 160 2HZ LYS 20 HZ2 LYS 20 4.632 -8.213 4.288 161 3HZ LYS 20 HZ3 LYS 20 5.017 -6.781 5.118 162 H THR 21 HN THR 21 6.067 -2.716 -0.290 163 HA THR 21 HA THR 21 8.691 -3.942 -0.123 164 HB THR 21 HB THR 21 7.433 -2.690 -2.576 165 HG1 THR 21 HG1 THR 21 6.685 -5.023 -1.162 166 1HG2 THR 21 HG21 THR 21 9.079 -5.192 -2.107 167 2HG2 THR 21 HG22 THR 21 9.649 -3.695 -2.844 168 3HG2 THR 21 HG23 THR 21 8.439 -4.677 -3.668 169 H TRP 22 HN TRP 22 7.517 -0.673 -0.873 170 HA TRP 22 HA TRP 22 9.930 0.503 -1.821 171 1HB TRP 22 HB2 TRP 22 7.428 1.327 -1.547 172 2HB TRP 22 HB1 TRP 22 8.011 1.941 -0.004 173 HD1 TRP 22 HD1 TRP 22 8.137 2.585 -3.708 174 HE1 TRP 22 HE1 TRP 22 9.497 4.728 -4.163 175 HE3 TRP 22 HE3 TRP 22 10.089 3.389 0.939 176 HZ2 TRP 22 HZ2 TRP 22 11.192 6.545 -2.738 177 HZ3 TRP 22 HZ3 TRP 22 11.569 5.330 1.365 178 HH2 TRP 22 HH2 TRP 22 12.123 6.907 -0.467 179 H LEU 23 HN LEU 23 8.619 0.295 1.492 180 HA LEU 23 HA LEU 23 10.925 1.498 2.775 181 1HB LEU 23 HB2 LEU 23 8.397 0.100 3.520 182 2HB LEU 23 HB1 LEU 23 9.669 0.129 4.741 183 HG LEU 23 HG LEU 23 9.835 2.662 4.231 184 1HD1 LEU 23 HD11 LEU 23 8.519 2.706 2.187 185 2HD1 LEU 23 HD12 LEU 23 7.661 3.620 3.425 186 3HD1 LEU 23 HD13 LEU 23 7.139 1.986 3.017 187 1HD2 LEU 23 HD21 LEU 23 8.856 1.646 6.301 188 2HD2 LEU 23 HD22 LEU 23 7.286 1.606 5.498 189 3HD2 LEU 23 HD23 LEU 23 8.065 3.153 5.836 190 H LYS 24 HN LYS 24 9.915 -1.868 2.118 191 HA LYS 24 HA LYS 24 11.961 -3.174 3.661 192 1HB LYS 24 HB2 LYS 24 9.886 -4.215 2.763 193 2HB LYS 24 HB1 LYS 24 10.518 -4.034 1.128 194 1HG LYS 24 HG2 LYS 24 12.394 -5.359 2.963 195 2HG LYS 24 HG1 LYS 24 10.890 -6.251 2.732 196 1HD LYS 24 HD2 LYS 24 11.689 -5.286 0.176 197 2HD LYS 24 HD1 LYS 24 13.113 -6.002 0.929 198 1HE LYS 24 HE2 LYS 24 12.130 -7.888 -0.059 199 2HE LYS 24 HE1 LYS 24 11.403 -7.944 1.558 200 1HZ LYS 24 HZ1 LYS 24 9.623 -8.065 0.018 201 2HZ LYS 24 HZ2 LYS 24 10.236 -6.780 -0.913 202 3HZ LYS 24 HZ3 LYS 24 9.601 -6.485 0.635 203 H ALA 25 HN ALA 25 11.845 -2.054 0.272 204 HA ALA 25 HA ALA 25 14.498 -3.071 -0.398 205 1HB ALA 25 HB1 ALA 25 12.589 -2.680 -1.986 206 2HB ALA 25 HB2 ALA 25 14.074 -1.868 -2.484 207 3HB ALA 25 HB3 ALA 25 12.778 -0.945 -1.722 208 H LYS 26 HN LYS 26 13.166 0.014 0.755 209 HA LYS 26 HA LYS 26 15.585 1.566 0.346 210 1HB LYS 26 HB2 LYS 26 13.226 2.421 0.528 211 2HB LYS 26 HB1 LYS 26 13.252 1.999 2.240 212 1HG LYS 26 HG2 LYS 26 13.843 4.287 2.211 213 2HG LYS 26 HG1 LYS 26 15.388 3.450 2.365 214 1HD LYS 26 HD2 LYS 26 16.070 4.032 0.262 215 2HD LYS 26 HD1 LYS 26 14.443 3.912 -0.409 216 1HE LYS 26 HE2 LYS 26 13.896 6.053 0.903 217 2HE LYS 26 HE1 LYS 26 15.647 6.218 1.145 218 1HZ LYS 26 HZ1 LYS 26 15.967 6.034 -1.244 219 2HZ LYS 26 HZ2 LYS 26 14.934 7.334 -0.891 220 3HZ LYS 26 HZ3 LYS 26 14.296 5.877 -1.484 221 H LEU 27 HN LEU 27 14.122 -0.029 3.211 222 HA LEU 27 HA LEU 27 16.681 0.435 4.697 223 1HB LEU 27 HB2 LEU 27 14.177 1.092 5.385 224 2HB LEU 27 HB1 LEU 27 14.173 -0.563 5.984 225 HG LEU 27 HG LEU 27 14.880 1.041 7.736 226 1HD1 LEU 27 HD11 LEU 27 16.741 -0.214 8.514 227 2HD1 LEU 27 HD12 LEU 27 17.286 -0.574 6.876 228 3HD1 LEU 27 HD13 LEU 27 15.827 -1.338 7.509 229 1HD2 LEU 27 HD21 LEU 27 17.399 1.525 6.152 230 2HD2 LEU 27 HD22 LEU 27 16.751 2.447 7.509 231 3HD2 LEU 27 HD23 LEU 27 15.988 2.559 5.923 232 H MET 28 HN MET 28 18.007 -1.308 4.764 233 HA MET 28 HA MET 28 16.824 -4.033 5.091 234 1HB MET 28 HB2 MET 28 17.952 -2.950 2.723 235 2HB MET 28 HB1 MET 28 19.143 -4.081 3.365 236 1HG MET 28 HG2 MET 28 17.219 -5.743 3.627 237 2HG MET 28 HG1 MET 28 16.257 -4.635 2.648 238 1HE MET 28 HE1 MET 28 16.084 -7.046 1.025 239 2HE MET 28 HE2 MET 28 17.099 -7.652 2.332 240 3HE MET 28 HE3 MET 28 17.585 -7.906 0.658 241 HA PRO 29 HA PRO 29 20.166 -3.458 8.126 242 1HB PRO 29 HB2 PRO 29 19.194 -5.287 9.914 243 2HB PRO 29 HB1 PRO 29 18.620 -3.612 9.826 244 1HG PRO 29 HG2 PRO 29 17.377 -6.097 8.773 245 2HG PRO 29 HG1 PRO 29 16.614 -4.671 9.494 246 1HD PRO 29 HD2 PRO 29 16.695 -5.168 6.801 247 2HD PRO 29 HD1 PRO 29 16.550 -3.545 7.510 248 H GLN 30 HN GLN 30 21.519 -5.265 9.304 249 HA GLN 30 HA GLN 30 21.748 -7.748 7.659 250 1HB GLN 30 HB2 GLN 30 23.657 -5.462 7.925 251 2HB GLN 30 HB1 GLN 30 24.346 -7.084 7.872 252 1HG GLN 30 HG2 GLN 30 22.313 -6.894 5.855 253 2HG GLN 30 HG1 GLN 30 23.402 -5.518 5.688 254 1HE2 GLN 30 HE21 GLN 30 23.462 -9.106 6.026 255 2HE2 GLN 30 HE22 GLN 30 24.903 -9.310 5.152 256 H LEU 31 HN LEU 31 22.531 -9.514 8.862 257 HA LEU 31 HA LEU 31 23.624 -9.035 11.592 258 1HB LEU 31 HB2 LEU 31 20.945 -9.417 11.192 259 2HB LEU 31 HB1 LEU 31 21.488 -11.081 11.411 260 HG LEU 31 HG LEU 31 22.461 -8.974 13.314 261 1HD1 LEU 31 HD11 LEU 31 19.751 -10.334 13.405 262 2HD1 LEU 31 HD12 LEU 31 20.052 -8.602 13.270 263 3HD1 LEU 31 HD13 LEU 31 20.474 -9.457 14.753 264 1HD2 LEU 31 HD21 LEU 31 23.431 -11.170 13.534 265 2HD2 LEU 31 HD22 LEU 31 21.847 -11.941 13.443 266 3HD2 LEU 31 HD23 LEU 31 22.282 -10.983 14.859 Start of MODEL 15 1 1H SER 1 HT1 SER 1 -18.082 10.911 -8.921 2 2H SER 1 HT2 SER 1 -19.140 10.632 -7.620 3 3H SER 1 HT3 SER 1 -19.668 10.386 -9.217 4 HA SER 1 HA SER 1 -17.862 8.629 -9.403 5 1HB SER 1 HB2 SER 1 -17.990 9.106 -6.406 6 2HB SER 1 HB1 SER 1 -17.089 7.811 -7.188 7 HG SER 1 HG SER 1 -15.656 9.453 -6.913 8 H GLY 2 HN GLY 2 -20.160 8.875 -6.639 9 1HA GLY 2 HA2 GLY 2 -22.338 7.846 -6.575 10 2HA GLY 2 HA1 GLY 2 -21.876 6.837 -7.948 11 H SER 3 HN SER 3 -20.671 4.924 -7.562 12 HA SER 3 HA SER 3 -20.918 3.849 -4.820 13 1HB SER 3 HB2 SER 3 -21.053 2.867 -7.448 14 2HB SER 3 HB1 SER 3 -19.572 2.175 -6.794 15 HG SER 3 HG SER 3 -21.086 0.808 -6.088 16 H TRP 4 HN TRP 4 -19.279 5.261 -3.826 17 HA TRP 4 HA TRP 4 -16.456 4.661 -4.627 18 1HB TRP 4 HB2 TRP 4 -17.869 7.021 -4.117 19 2HB TRP 4 HB1 TRP 4 -16.922 6.775 -2.651 20 HD1 TRP 4 HD1 TRP 4 -15.780 5.769 -6.183 21 HE1 TRP 4 HE1 TRP 4 -13.640 7.092 -6.757 22 HE3 TRP 4 HE3 TRP 4 -15.532 8.852 -2.119 23 HZ2 TRP 4 HZ2 TRP 4 -12.043 9.185 -5.643 24 HZ3 TRP 4 HZ3 TRP 4 -13.696 10.500 -1.903 25 HH2 TRP 4 HH2 TRP 4 -11.952 10.671 -3.658 26 H LEU 5 HN LEU 5 -15.276 5.384 -2.153 27 HA LEU 5 HA LEU 5 -14.757 4.577 -0.004 28 1HB LEU 5 HB2 LEU 5 -17.460 4.804 -0.050 29 2HB LEU 5 HB1 LEU 5 -17.311 3.066 0.215 30 HG LEU 5 HG LEU 5 -15.751 5.066 1.860 31 1HD1 LEU 5 HD11 LEU 5 -18.474 3.874 2.475 32 2HD1 LEU 5 HD12 LEU 5 -18.163 5.567 2.088 33 3HD1 LEU 5 HD13 LEU 5 -17.513 4.867 3.570 34 1HD2 LEU 5 HD21 LEU 5 -16.536 2.153 2.151 35 2HD2 LEU 5 HD22 LEU 5 -15.875 3.099 3.483 36 3HD2 LEU 5 HD23 LEU 5 -14.910 2.824 2.033 37 H ARG 6 HN ARG 6 -16.760 1.966 -1.494 38 HA ARG 6 HA ARG 6 -15.178 -0.203 -0.552 39 1HB ARG 6 HB2 ARG 6 -17.517 -0.044 -1.731 40 2HB ARG 6 HB1 ARG 6 -16.583 -0.215 -3.218 41 1HG ARG 6 HG2 ARG 6 -15.467 -2.237 -2.000 42 2HG ARG 6 HG1 ARG 6 -16.878 -2.166 -0.945 43 1HD ARG 6 HD2 ARG 6 -17.482 -2.036 -3.850 44 2HD ARG 6 HD1 ARG 6 -16.842 -3.586 -3.269 45 HE ARG 6 HE ARG 6 -19.101 -2.259 -1.826 46 1HH1 ARG 6 HH21 ARG 6 -18.137 -4.862 -0.813 47 2HH1 ARG 6 HH22 ARG 6 -19.190 -5.996 -1.590 48 1HH2 ARG 6 HH11 ARG 6 -20.274 -3.736 -3.998 49 2HH2 ARG 6 HH12 ARG 6 -20.407 -5.355 -3.401 50 H ASP 7 HN ASP 7 -14.956 1.625 -3.624 51 HA ASP 7 HA ASP 7 -12.855 0.097 -4.825 52 1HB ASP 7 HB2 ASP 7 -14.303 1.744 -5.977 53 2HB ASP 7 HB1 ASP 7 -13.562 3.046 -5.044 54 H ILE 8 HN ILE 8 -12.766 2.969 -2.695 55 HA ILE 8 HA ILE 8 -9.861 3.174 -2.707 56 HB ILE 8 HB ILE 8 -12.102 4.316 -1.012 57 1HG1 ILE 8 HG12 ILE 8 -10.639 6.310 -2.364 58 2HG1 ILE 8 HG11 ILE 8 -10.823 4.997 -3.529 59 1HG2 ILE 8 HG21 ILE 8 -10.294 4.400 0.493 60 2HG2 ILE 8 HG22 ILE 8 -10.204 5.961 -0.322 61 3HG2 ILE 8 HG23 ILE 8 -9.114 4.657 -0.794 62 1HD1 ILE 8 HD11 ILE 8 -12.798 6.189 -3.861 63 2HD1 ILE 8 HD12 ILE 8 -12.943 6.621 -2.158 64 3HD1 ILE 8 HD13 ILE 8 -13.314 4.980 -2.686 65 H TRP 9 HN TRP 9 -12.272 1.584 -0.628 66 HA TRP 9 HA TRP 9 -10.717 0.969 1.645 67 1HB TRP 9 HB2 TRP 9 -13.211 0.531 1.004 68 2HB TRP 9 HB1 TRP 9 -12.612 -0.995 0.355 69 HD1 TRP 9 HD1 TRP 9 -13.000 -2.832 2.057 70 HE1 TRP 9 HE1 TRP 9 -12.740 -3.077 4.609 71 HE3 TRP 9 HE3 TRP 9 -11.583 1.925 3.263 72 HZ2 TRP 9 HZ2 TRP 9 -12.026 -1.470 6.864 73 HZ3 TRP 9 HZ3 TRP 9 -11.120 2.539 5.619 74 HH2 TRP 9 HH2 TRP 9 -11.340 0.849 7.419 75 H ASP 10 HN ASP 10 -11.106 -1.033 -1.318 76 HA ASP 10 HA ASP 10 -9.189 -3.042 -0.596 77 1HB ASP 10 HB2 ASP 10 -10.819 -3.403 -2.344 78 2HB ASP 10 HB1 ASP 10 -10.260 -1.986 -3.233 79 H TRP 11 HN TRP 11 -8.889 0.014 -2.415 80 HA TRP 11 HA TRP 11 -6.162 -0.206 -3.215 81 1HB TRP 11 HB2 TRP 11 -7.800 1.470 -4.018 82 2HB TRP 11 HB1 TRP 11 -7.838 2.204 -2.417 83 HD1 TRP 11 HD1 TRP 11 -5.637 1.839 -5.506 84 HE1 TRP 11 HE1 TRP 11 -3.730 3.570 -5.378 85 HE3 TRP 11 HE3 TRP 11 -6.369 3.612 -0.773 86 HZ2 TRP 11 HZ2 TRP 11 -2.657 5.457 -3.514 87 HZ3 TRP 11 HZ3 TRP 11 -4.893 5.373 0.153 88 HH2 TRP 11 HH2 TRP 11 -3.039 6.297 -1.210 89 H ILE 12 HN ILE 12 -7.620 1.026 -0.190 90 HA ILE 12 HA ILE 12 -5.220 1.970 1.058 91 HB ILE 12 HB ILE 12 -7.839 0.838 2.099 92 1HG1 ILE 12 HG12 ILE 12 -6.929 3.695 2.291 93 2HG1 ILE 12 HG11 ILE 12 -7.553 3.095 0.756 94 1HG2 ILE 12 HG21 ILE 12 -7.055 2.210 4.206 95 2HG2 ILE 12 HG22 ILE 12 -5.440 1.909 3.562 96 3HG2 ILE 12 HG23 ILE 12 -6.489 0.554 3.984 97 1HD1 ILE 12 HD11 ILE 12 -9.671 2.599 1.674 98 2HD1 ILE 12 HD12 ILE 12 -9.247 4.144 2.409 99 3HD1 ILE 12 HD13 ILE 12 -9.063 2.651 3.329 100 H CYS 13 HN CYS 13 -6.727 -1.253 0.923 101 HA CYS 13 HA CYS 13 -4.953 -2.564 2.780 102 1HB CYS 13 HB2 CYS 13 -7.225 -3.306 1.900 103 2HB CYS 13 HB1 CYS 13 -6.414 -3.739 0.395 104 HG CYS 13 HG CYS 13 -5.035 -5.530 1.685 105 H GLU 14 HN GLU 14 -4.866 -2.078 -0.759 106 HA GLU 14 HA GLU 14 -2.552 -3.710 -1.273 107 1HB GLU 14 HB2 GLU 14 -4.347 -1.866 -2.631 108 2HB GLU 14 HB1 GLU 14 -2.684 -1.641 -3.170 109 1HG GLU 14 HG2 GLU 14 -3.309 -3.351 -4.591 110 2HG GLU 14 HG1 GLU 14 -2.727 -4.309 -3.231 111 H VAL 15 HN VAL 15 -2.964 -0.274 -0.503 112 HA VAL 15 HA VAL 15 -0.217 0.522 -0.858 113 HB VAL 15 HB VAL 15 -2.514 1.594 0.822 114 1HG1 VAL 15 HG11 VAL 15 -1.289 3.548 1.246 115 2HG1 VAL 15 HG12 VAL 15 -0.140 3.228 -0.054 116 3HG1 VAL 15 HG13 VAL 15 -0.064 2.296 1.441 117 1HG2 VAL 15 HG21 VAL 15 -3.187 2.723 -1.048 118 2HG2 VAL 15 HG22 VAL 15 -2.305 1.454 -1.896 119 3HG2 VAL 15 HG23 VAL 15 -1.535 3.010 -1.590 120 H LEU 16 HN LEU 16 -2.011 -0.861 1.877 121 HA LEU 16 HA LEU 16 -0.001 -0.434 3.900 122 1HB LEU 16 HB2 LEU 16 -2.487 -1.014 4.115 123 2HB LEU 16 HB1 LEU 16 -2.034 -2.675 3.729 124 HG LEU 16 HG LEU 16 -0.255 -2.305 5.652 125 1HD1 LEU 16 HD11 LEU 16 -0.827 0.098 5.935 126 2HD1 LEU 16 HD12 LEU 16 -1.095 -0.823 7.415 127 3HD1 LEU 16 HD13 LEU 16 -2.465 -0.365 6.402 128 1HD2 LEU 16 HD21 LEU 16 -1.880 -3.233 7.248 129 2HD2 LEU 16 HD22 LEU 16 -2.113 -3.956 5.657 130 3HD2 LEU 16 HD23 LEU 16 -3.212 -2.698 6.224 131 H SER 17 HN SER 17 -0.706 -3.192 1.728 132 HA SER 17 HA SER 17 1.449 -4.852 2.776 133 1HB SER 17 HB2 SER 17 -0.451 -4.890 0.439 134 2HB SER 17 HB1 SER 17 0.862 -6.062 0.522 135 HG SER 17 HG SER 17 -0.023 -6.946 2.278 136 H ASP 18 HN ASP 18 1.057 -2.750 -0.100 137 HA ASP 18 HA ASP 18 3.667 -3.363 -1.204 138 1HB ASP 18 HB2 ASP 18 1.741 -2.492 -2.499 139 2HB ASP 18 HB1 ASP 18 1.829 -0.979 -1.597 140 H PHE 19 HN PHE 19 2.534 -1.113 1.259 141 HA PHE 19 HA PHE 19 4.492 0.893 1.260 142 1HB PHE 19 HB2 PHE 19 2.516 -0.166 2.983 143 2HB PHE 19 HB1 PHE 19 3.997 -0.118 3.934 144 HD1 PHE 19 HD1 PHE 19 1.188 1.726 3.248 145 HD2 PHE 19 HD2 PHE 19 5.462 2.157 3.258 146 HE1 PHE 19 HE1 PHE 19 0.940 4.178 3.518 147 HE2 PHE 19 HE2 PHE 19 5.214 4.609 3.526 148 HZ PHE 19 HZ PHE 19 2.953 5.620 3.657 149 H LYS 20 HN LYS 20 4.737 -2.421 2.551 150 HA LYS 20 HA LYS 20 7.366 -2.145 3.705 151 1HB LYS 20 HB2 LYS 20 5.747 -3.910 4.284 152 2HB LYS 20 HB1 LYS 20 5.834 -4.547 2.642 153 1HG LYS 20 HG2 LYS 20 7.751 -5.666 3.078 154 2HG LYS 20 HG1 LYS 20 8.480 -4.260 3.853 155 1HD LYS 20 HD2 LYS 20 6.959 -4.785 5.860 156 2HD LYS 20 HD1 LYS 20 6.680 -6.348 5.091 157 1HE LYS 20 HE2 LYS 20 9.105 -6.808 5.100 158 2HE LYS 20 HE1 LYS 20 9.407 -5.226 5.846 159 1HZ LYS 20 HZ1 LYS 20 7.969 -5.854 7.688 160 2HZ LYS 20 HZ2 LYS 20 9.246 -6.965 7.529 161 3HZ LYS 20 HZ3 LYS 20 7.689 -7.372 6.985 162 H THR 21 HN THR 21 6.265 -3.481 0.550 163 HA THR 21 HA THR 21 8.963 -3.967 -0.418 164 HB THR 21 HB THR 21 7.597 -4.125 -2.636 165 HG1 THR 21 HG1 THR 21 5.744 -3.132 -2.301 166 1HG2 THR 21 HG21 THR 21 6.650 -6.291 -1.942 167 2HG2 THR 21 HG22 THR 21 6.860 -5.841 -0.250 168 3HG2 THR 21 HG23 THR 21 8.271 -6.070 -1.282 169 H TRP 22 HN TRP 22 6.632 -1.302 -0.771 170 HA TRP 22 HA TRP 22 7.889 0.212 -2.809 171 1HB TRP 22 HB2 TRP 22 5.667 0.577 -1.634 172 2HB TRP 22 HB1 TRP 22 6.567 1.257 -0.284 173 HD1 TRP 22 HD1 TRP 22 5.500 1.992 -3.853 174 HE1 TRP 22 HE1 TRP 22 6.045 4.453 -4.402 175 HE3 TRP 22 HE3 TRP 22 8.208 3.244 0.291 176 HZ2 TRP 22 HZ2 TRP 22 7.444 6.660 -3.235 177 HZ3 TRP 22 HZ3 TRP 22 9.132 5.527 0.549 178 HH2 TRP 22 HH2 TRP 22 8.753 7.236 -1.207 179 H LEU 23 HN LEU 23 8.337 0.445 0.732 180 HA LEU 23 HA LEU 23 10.440 2.376 0.715 181 1HB LEU 23 HB2 LEU 23 9.201 0.432 2.557 182 2HB LEU 23 HB1 LEU 23 10.882 0.806 2.940 183 HG LEU 23 HG LEU 23 10.045 3.302 2.489 184 1HD1 LEU 23 HD11 LEU 23 7.567 2.034 3.666 185 2HD1 LEU 23 HD12 LEU 23 7.724 2.333 1.935 186 3HD1 LEU 23 HD13 LEU 23 7.774 3.681 3.071 187 1HD2 LEU 23 HD21 LEU 23 9.424 1.810 5.059 188 2HD2 LEU 23 HD22 LEU 23 9.748 3.537 4.899 189 3HD2 LEU 23 HD23 LEU 23 11.031 2.366 4.592 190 H LYS 24 HN LYS 24 10.565 -1.203 0.572 191 HA LYS 24 HA LYS 24 13.454 -1.387 0.682 192 1HB LYS 24 HB2 LYS 24 11.402 -3.110 0.943 193 2HB LYS 24 HB1 LYS 24 11.790 -3.417 -0.750 194 1HG LYS 24 HG2 LYS 24 13.562 -4.659 -0.140 195 2HG LYS 24 HG1 LYS 24 14.244 -3.284 0.730 196 1HD LYS 24 HD2 LYS 24 12.781 -3.853 2.680 197 2HD LYS 24 HD1 LYS 24 12.250 -5.296 1.815 198 1HE LYS 24 HE2 LYS 24 14.638 -6.051 1.684 199 2HE LYS 24 HE1 LYS 24 15.093 -4.656 2.682 200 1HZ LYS 24 HZ1 LYS 24 14.661 -6.633 4.041 201 2HZ LYS 24 HZ2 LYS 24 13.077 -6.714 3.431 202 3HZ LYS 24 HZ3 LYS 24 13.557 -5.391 4.384 203 H ALA 25 HN ALA 25 11.094 -1.227 -1.988 204 HA ALA 25 HA ALA 25 13.045 -1.558 -4.112 205 1HB ALA 25 HB1 ALA 25 10.194 -0.569 -3.894 206 2HB ALA 25 HB2 ALA 25 10.765 -2.108 -4.538 207 3HB ALA 25 HB3 ALA 25 11.042 -0.618 -5.439 208 H LYS 26 HN LYS 26 11.580 1.254 -2.482 209 HA LYS 26 HA LYS 26 12.674 3.253 -4.264 210 1HB LYS 26 HB2 LYS 26 10.747 3.240 -2.434 211 2HB LYS 26 HB1 LYS 26 12.054 3.777 -1.377 212 1HG LYS 26 HG2 LYS 26 12.276 5.268 -3.787 213 2HG LYS 26 HG1 LYS 26 10.576 5.303 -3.315 214 1HD LYS 26 HD2 LYS 26 11.472 5.843 -0.936 215 2HD LYS 26 HD1 LYS 26 12.979 6.247 -1.758 216 1HE LYS 26 HE2 LYS 26 10.400 7.408 -2.794 217 2HE LYS 26 HE1 LYS 26 11.180 8.140 -1.378 218 1HZ LYS 26 HZ1 LYS 26 12.039 9.104 -3.430 219 2HZ LYS 26 HZ2 LYS 26 12.505 7.566 -3.981 220 3HZ LYS 26 HZ3 LYS 26 13.258 8.248 -2.619 221 H LEU 27 HN LEU 27 13.852 1.746 -1.253 222 HA LEU 27 HA LEU 27 16.066 3.533 -0.805 223 1HB LEU 27 HB2 LEU 27 14.921 1.739 0.698 224 2HB LEU 27 HB1 LEU 27 16.010 0.599 -0.094 225 HG LEU 27 HG LEU 27 17.865 2.345 0.526 226 1HD1 LEU 27 HD11 LEU 27 16.556 4.158 1.335 227 2HD1 LEU 27 HD12 LEU 27 17.226 3.406 2.782 228 3HD1 LEU 27 HD13 LEU 27 15.552 3.097 2.322 229 1HD2 LEU 27 HD21 LEU 27 17.832 0.121 1.478 230 2HD2 LEU 27 HD22 LEU 27 16.479 0.538 2.529 231 3HD2 LEU 27 HD23 LEU 27 18.062 1.263 2.802 232 H MET 28 HN MET 28 15.711 0.562 -2.733 233 HA MET 28 HA MET 28 18.563 0.447 -3.420 234 1HB MET 28 HB2 MET 28 16.136 -1.152 -3.675 235 2HB MET 28 HB1 MET 28 17.064 -1.153 -5.174 236 1HG MET 28 HG2 MET 28 18.204 -2.842 -4.129 237 2HG MET 28 HG1 MET 28 19.077 -1.497 -3.395 238 1HE MET 28 HE1 MET 28 15.527 -3.788 -1.660 239 2HE MET 28 HE2 MET 28 16.764 -4.639 -2.581 240 3HE MET 28 HE3 MET 28 15.850 -3.338 -3.339 241 HA PRO 29 HA PRO 29 18.331 3.067 -6.958 242 1HB PRO 29 HB2 PRO 29 20.336 2.005 -8.488 243 2HB PRO 29 HB1 PRO 29 20.636 2.972 -7.034 244 1HG PRO 29 HG2 PRO 29 20.739 0.029 -7.403 245 2HG PRO 29 HG1 PRO 29 21.749 1.078 -6.398 246 1HD PRO 29 HD2 PRO 29 19.695 -0.476 -5.441 247 2HD PRO 29 HD1 PRO 29 20.308 0.986 -4.637 248 H GLN 30 HN GLN 30 18.571 2.639 -9.584 249 HA GLN 30 HA GLN 30 16.221 1.112 -10.323 250 1HB GLN 30 HB2 GLN 30 17.468 3.214 -11.356 251 2HB GLN 30 HB1 GLN 30 18.331 1.981 -12.274 252 1HG GLN 30 HG2 GLN 30 16.571 1.722 -13.651 253 2HG GLN 30 HG1 GLN 30 15.518 1.365 -12.281 254 1HE2 GLN 30 HE21 GLN 30 13.779 2.795 -12.207 255 2HE2 GLN 30 HE22 GLN 30 13.841 4.433 -12.647 256 H LEU 31 HN LEU 31 16.158 -0.810 -11.651 257 HA LEU 31 HA LEU 31 18.705 -2.385 -11.787 258 1HB LEU 31 HB2 LEU 31 16.426 -2.778 -10.109 259 2HB LEU 31 HB1 LEU 31 16.442 -4.082 -11.296 260 HG LEU 31 HG LEU 31 18.996 -3.322 -9.908 261 1HD1 LEU 31 HD11 LEU 31 17.487 -3.599 -8.047 262 2HD1 LEU 31 HD12 LEU 31 18.421 -5.089 -8.192 263 3HD1 LEU 31 HD13 LEU 31 16.760 -5.029 -8.781 264 1HD2 LEU 31 HD21 LEU 31 18.931 -4.936 -11.827 265 2HD2 LEU 31 HD22 LEU 31 17.874 -5.974 -10.869 266 3HD2 LEU 31 HD23 LEU 31 19.526 -5.665 -10.334 Start of MODEL 16 1 1H SER 1 HT1 SER 1 -26.707 2.859 -4.933 2 2H SER 1 HT2 SER 1 -26.735 2.234 -3.353 3 3H SER 1 HT3 SER 1 -28.167 2.311 -4.264 4 HA SER 1 HA SER 1 -27.333 0.035 -4.208 5 1HB SER 1 HB2 SER 1 -27.064 1.493 -6.859 6 2HB SER 1 HB1 SER 1 -27.385 -0.228 -6.669 7 HG SER 1 HG SER 1 -29.359 0.675 -6.873 8 H GLY 2 HN GLY 2 -25.115 2.027 -6.235 9 1HA GLY 2 HA2 GLY 2 -22.945 0.084 -5.699 10 2HA GLY 2 HA1 GLY 2 -22.891 1.394 -6.878 11 H SER 3 HN SER 3 -21.353 0.485 -4.221 12 HA SER 3 HA SER 3 -21.199 3.243 -3.041 13 1HB SER 3 HB2 SER 3 -21.993 1.588 -1.465 14 2HB SER 3 HB1 SER 3 -20.717 0.463 -1.922 15 HG SER 3 HG SER 3 -20.623 2.761 -0.335 16 H TRP 4 HN TRP 4 -19.411 4.259 -3.897 17 HA TRP 4 HA TRP 4 -17.120 2.853 -4.982 18 1HB TRP 4 HB2 TRP 4 -18.005 5.118 -5.648 19 2HB TRP 4 HB1 TRP 4 -17.397 5.750 -4.119 20 HD1 TRP 4 HD1 TRP 4 -15.603 3.209 -6.390 21 HE1 TRP 4 HE1 TRP 4 -13.344 4.214 -7.107 22 HE3 TRP 4 HE3 TRP 4 -16.037 7.881 -4.372 23 HZ2 TRP 4 HZ2 TRP 4 -11.909 6.679 -6.865 24 HZ3 TRP 4 HZ3 TRP 4 -14.211 9.536 -4.632 25 HH2 TRP 4 HH2 TRP 4 -12.149 8.942 -5.875 26 H LEU 5 HN LEU 5 -17.865 4.285 -1.824 27 HA LEU 5 HA LEU 5 -15.264 4.430 -0.692 28 1HB LEU 5 HB2 LEU 5 -18.041 3.897 0.375 29 2HB LEU 5 HB1 LEU 5 -16.653 3.971 1.460 30 HG LEU 5 HG LEU 5 -17.037 6.174 -0.535 31 1HD1 LEU 5 HD11 LEU 5 -18.407 6.145 2.163 32 2HD1 LEU 5 HD12 LEU 5 -19.243 5.738 0.664 33 3HD1 LEU 5 HD13 LEU 5 -18.565 7.351 0.886 34 1HD2 LEU 5 HD21 LEU 5 -16.038 6.100 2.331 35 2HD2 LEU 5 HD22 LEU 5 -15.947 7.476 1.232 36 3HD2 LEU 5 HD23 LEU 5 -15.007 6.022 0.903 37 H ARG 6 HN ARG 6 -17.514 1.675 -0.959 38 HA ARG 6 HA ARG 6 -16.103 -0.245 0.591 39 1HB ARG 6 HB2 ARG 6 -18.349 -0.089 -1.084 40 2HB ARG 6 HB1 ARG 6 -17.321 -1.301 -1.847 41 1HG ARG 6 HG2 ARG 6 -17.373 -1.665 1.032 42 2HG ARG 6 HG1 ARG 6 -19.007 -1.678 0.370 43 1HD ARG 6 HD2 ARG 6 -18.430 -3.917 0.064 44 2HD ARG 6 HD1 ARG 6 -17.847 -3.247 -1.472 45 HE ARG 6 HE ARG 6 -15.599 -2.974 -0.295 46 1HH1 ARG 6 HH21 ARG 6 -16.587 -3.825 2.423 47 2HH1 ARG 6 HH22 ARG 6 -16.073 -5.478 2.489 48 1HH2 ARG 6 HH11 ARG 6 -15.525 -5.715 -0.937 49 2HH2 ARG 6 HH12 ARG 6 -15.467 -6.552 0.578 50 H ASP 7 HN ASP 7 -15.667 0.826 -2.763 51 HA ASP 7 HA ASP 7 -13.600 -1.149 -3.398 52 1HB ASP 7 HB2 ASP 7 -15.015 -0.338 -5.155 53 2HB ASP 7 HB1 ASP 7 -14.750 1.341 -4.690 54 H ILE 8 HN ILE 8 -13.716 2.286 -2.443 55 HA ILE 8 HA ILE 8 -11.000 3.010 -2.812 56 HB ILE 8 HB ILE 8 -13.133 3.803 -0.807 57 1HG1 ILE 8 HG12 ILE 8 -11.970 5.382 -3.114 58 2HG1 ILE 8 HG11 ILE 8 -13.334 4.284 -3.326 59 1HG2 ILE 8 HG21 ILE 8 -10.329 4.867 -1.179 60 2HG2 ILE 8 HG22 ILE 8 -11.139 4.413 0.321 61 3HG2 ILE 8 HG23 ILE 8 -11.619 5.880 -0.532 62 1HD1 ILE 8 HD11 ILE 8 -13.391 6.967 -2.378 63 2HD1 ILE 8 HD12 ILE 8 -13.833 5.927 -1.025 64 3HD1 ILE 8 HD13 ILE 8 -14.744 5.848 -2.533 65 H TRP 9 HN TRP 9 -12.562 1.363 -0.044 66 HA TRP 9 HA TRP 9 -10.324 1.340 1.730 67 1HB TRP 9 HB2 TRP 9 -12.718 0.777 2.245 68 2HB TRP 9 HB1 TRP 9 -12.507 -0.740 1.370 69 HD1 TRP 9 HD1 TRP 9 -12.138 -2.648 2.996 70 HE1 TRP 9 HE1 TRP 9 -10.841 -2.982 5.199 71 HE3 TRP 9 HE3 TRP 9 -10.318 2.077 3.678 72 HZ2 TRP 9 HZ2 TRP 9 -9.244 -1.449 7.010 73 HZ3 TRP 9 HZ3 TRP 9 -8.915 2.611 5.648 74 HH2 TRP 9 HH2 TRP 9 -8.376 0.856 7.314 75 H ASP 10 HN ASP 10 -11.274 -0.901 -0.877 76 HA ASP 10 HA ASP 10 -9.301 -2.926 -0.386 77 1HB ASP 10 HB2 ASP 10 -11.342 -3.077 -1.838 78 2HB ASP 10 HB1 ASP 10 -10.553 -2.010 -2.999 79 H TRP 11 HN TRP 11 -9.252 0.024 -2.401 80 HA TRP 11 HA TRP 11 -6.627 -0.376 -3.519 81 1HB TRP 11 HB2 TRP 11 -8.277 1.150 -4.473 82 2HB TRP 11 HB1 TRP 11 -8.317 2.091 -2.983 83 HD1 TRP 11 HD1 TRP 11 -5.985 1.232 -5.910 84 HE1 TRP 11 HE1 TRP 11 -4.191 3.074 -6.090 85 HE3 TRP 11 HE3 TRP 11 -7.107 3.963 -1.746 86 HZ2 TRP 11 HZ2 TRP 11 -3.344 5.403 -4.656 87 HZ3 TRP 11 HZ3 TRP 11 -5.792 5.985 -1.174 88 HH2 TRP 11 HH2 TRP 11 -3.914 6.707 -2.622 89 H ILE 12 HN ILE 12 -7.794 1.295 -0.581 90 HA ILE 12 HA ILE 12 -5.326 2.472 0.246 91 HB ILE 12 HB ILE 12 -7.785 1.428 1.686 92 1HG1 ILE 12 HG12 ILE 12 -6.790 4.267 1.313 93 2HG1 ILE 12 HG11 ILE 12 -7.848 3.470 0.149 94 1HG2 ILE 12 HG21 ILE 12 -5.277 2.670 2.806 95 2HG2 ILE 12 HG22 ILE 12 -6.219 1.316 3.432 96 3HG2 ILE 12 HG23 ILE 12 -6.833 2.963 3.584 97 1HD1 ILE 12 HD11 ILE 12 -9.281 4.694 1.632 98 2HD1 ILE 12 HD12 ILE 12 -8.435 4.084 3.054 99 3HD1 ILE 12 HD13 ILE 12 -9.430 2.997 2.085 100 H CYS 13 HN CYS 13 -6.667 -0.792 0.710 101 HA CYS 13 HA CYS 13 -4.593 -1.775 2.469 102 1HB CYS 13 HB2 CYS 13 -6.915 -2.714 2.060 103 2HB CYS 13 HB1 CYS 13 -6.339 -3.288 0.496 104 HG CYS 13 HG CYS 13 -4.865 -5.007 1.638 105 H GLU 14 HN GLU 14 -5.005 -1.643 -1.062 106 HA GLU 14 HA GLU 14 -2.828 -3.311 -1.848 107 1HB GLU 14 HB2 GLU 14 -4.698 -1.386 -2.964 108 2HB GLU 14 HB1 GLU 14 -3.107 -1.201 -3.696 109 1HG GLU 14 HG2 GLU 14 -3.305 -3.136 -4.844 110 2HG GLU 14 HG1 GLU 14 -3.859 -4.009 -3.415 111 H VAL 15 HN VAL 15 -2.985 0.221 -1.387 112 HA VAL 15 HA VAL 15 -0.252 0.826 -1.940 113 HB VAL 15 HB VAL 15 -2.250 2.139 -0.058 114 1HG1 VAL 15 HG11 VAL 15 0.459 2.920 -1.064 115 2HG1 VAL 15 HG12 VAL 15 -0.290 3.236 0.502 116 3HG1 VAL 15 HG13 VAL 15 -0.761 4.183 -0.909 117 1HG2 VAL 15 HG21 VAL 15 -3.352 2.466 -2.027 118 2HG2 VAL 15 HG22 VAL 15 -1.941 2.032 -2.993 119 3HG2 VAL 15 HG23 VAL 15 -2.099 3.665 -2.345 120 H LEU 16 HN LEU 16 -1.854 -0.214 1.067 121 HA LEU 16 HA LEU 16 0.362 0.187 2.850 122 1HB LEU 16 HB2 LEU 16 -2.123 -0.278 3.321 123 2HB LEU 16 HB1 LEU 16 -1.752 -1.976 3.020 124 HG LEU 16 HG LEU 16 0.124 -0.636 4.862 125 1HD1 LEU 16 HD11 LEU 16 -2.093 0.419 5.447 126 2HD1 LEU 16 HD12 LEU 16 -1.384 -0.540 6.746 127 3HD1 LEU 16 HD13 LEU 16 -2.707 -1.200 5.786 128 1HD2 LEU 16 HD21 LEU 16 -0.147 -2.742 6.077 129 2HD2 LEU 16 HD22 LEU 16 0.063 -3.086 4.360 130 3HD2 LEU 16 HD23 LEU 16 -1.542 -3.165 5.085 131 H SER 17 HN SER 17 -0.650 -2.614 0.874 132 HA SER 17 HA SER 17 1.341 -4.463 1.788 133 1HB SER 17 HB2 SER 17 -0.521 -4.131 -0.507 134 2HB SER 17 HB1 SER 17 0.830 -5.230 -0.764 135 HG SER 17 HG SER 17 -1.294 -5.946 0.322 136 H ASP 18 HN ASP 18 1.344 -2.068 -0.867 137 HA ASP 18 HA ASP 18 3.935 -2.773 -1.924 138 1HB ASP 18 HB2 ASP 18 2.358 -1.483 -3.227 139 2HB ASP 18 HB1 ASP 18 2.255 -0.245 -1.975 140 H PHE 19 HN PHE 19 2.873 -0.613 0.698 141 HA PHE 19 HA PHE 19 5.180 0.924 1.159 142 1HB PHE 19 HB2 PHE 19 2.783 0.240 2.468 143 2HB PHE 19 HB1 PHE 19 4.058 -0.153 3.617 144 HD1 PHE 19 HD1 PHE 19 4.564 1.562 5.106 145 HD2 PHE 19 HD2 PHE 19 3.433 2.558 1.082 146 HE1 PHE 19 HE1 PHE 19 4.850 3.969 5.621 147 HE2 PHE 19 HE2 PHE 19 3.720 4.966 1.599 148 HZ PHE 19 HZ PHE 19 4.428 5.672 3.868 149 H LYS 20 HN LYS 20 4.578 -2.481 1.930 150 HA LYS 20 HA LYS 20 6.911 -2.946 3.554 151 1HB LYS 20 HB2 LYS 20 4.752 -4.345 3.109 152 2HB LYS 20 HB1 LYS 20 5.621 -4.954 1.701 153 1HG LYS 20 HG2 LYS 20 6.533 -6.476 3.102 154 2HG LYS 20 HG1 LYS 20 7.502 -5.144 3.732 155 1HD LYS 20 HD2 LYS 20 4.719 -5.619 4.780 156 2HD LYS 20 HD1 LYS 20 6.076 -6.558 5.404 157 1HE LYS 20 HE2 LYS 20 7.266 -4.435 5.961 158 2HE LYS 20 HE1 LYS 20 5.843 -3.525 5.414 159 1HZ LYS 20 HZ1 LYS 20 5.791 -5.654 7.491 160 2HZ LYS 20 HZ2 LYS 20 4.484 -4.682 7.008 161 3HZ LYS 20 HZ3 LYS 20 5.803 -3.992 7.826 162 H THR 21 HN THR 21 6.294 -3.421 0.049 163 HA THR 21 HA THR 21 9.069 -4.162 -0.514 164 HB THR 21 HB THR 21 8.079 -3.750 -2.928 165 HG1 THR 21 HG1 THR 21 6.263 -2.643 -2.496 166 1HG2 THR 21 HG21 THR 21 7.070 -5.859 -1.008 167 2HG2 THR 21 HG22 THR 21 8.484 -5.967 -2.055 168 3HG2 THR 21 HG23 THR 21 6.866 -5.942 -2.758 169 H TRP 22 HN TRP 22 7.114 -1.206 -0.683 170 HA TRP 22 HA TRP 22 8.822 0.445 -2.245 171 1HB TRP 22 HB2 TRP 22 6.450 0.777 -1.166 172 2HB TRP 22 HB1 TRP 22 7.353 1.408 0.207 173 HD1 TRP 22 HD1 TRP 22 6.390 2.203 -3.371 174 HE1 TRP 22 HE1 TRP 22 7.112 4.617 -3.922 175 HE3 TRP 22 HE3 TRP 22 9.148 3.269 0.790 176 HZ2 TRP 22 HZ2 TRP 22 8.656 6.723 -2.749 177 HZ3 TRP 22 HZ3 TRP 22 10.231 5.483 1.049 178 HH2 TRP 22 HH2 TRP 22 9.989 7.209 -0.714 179 H LEU 23 HN LEU 23 8.736 -0.026 1.302 180 HA LEU 23 HA LEU 23 10.995 1.613 1.947 181 1HB LEU 23 HB2 LEU 23 9.345 -0.524 3.189 182 2HB LEU 23 HB1 LEU 23 10.945 -0.299 3.894 183 HG LEU 23 HG LEU 23 9.592 2.243 3.364 184 1HD1 LEU 23 HD11 LEU 23 8.213 1.629 5.627 185 2HD1 LEU 23 HD12 LEU 23 8.155 0.077 4.788 186 3HD1 LEU 23 HD13 LEU 23 7.522 1.527 4.008 187 1HD2 LEU 23 HD21 LEU 23 10.712 0.955 5.876 188 2HD2 LEU 23 HD22 LEU 23 10.305 2.660 5.689 189 3HD2 LEU 23 HD23 LEU 23 11.624 1.961 4.751 190 H LYS 24 HN LYS 24 10.741 -1.865 1.152 191 HA LYS 24 HA LYS 24 13.528 -2.498 1.570 192 1HB LYS 24 HB2 LYS 24 11.468 -4.025 1.412 193 2HB LYS 24 HB1 LYS 24 11.582 -3.825 -0.337 194 1HG LYS 24 HG2 LYS 24 14.099 -4.509 0.040 195 2HG LYS 24 HG1 LYS 24 13.479 -5.207 1.536 196 1HD LYS 24 HD2 LYS 24 12.790 -7.001 0.368 197 2HD LYS 24 HD1 LYS 24 11.659 -5.961 -0.498 198 1HE LYS 24 HE2 LYS 24 14.546 -6.028 -1.360 199 2HE LYS 24 HE1 LYS 24 13.441 -7.316 -1.880 200 1HZ LYS 24 HZ1 LYS 24 12.871 -4.408 -2.135 201 2HZ LYS 24 HZ2 LYS 24 11.918 -5.685 -2.728 202 3HZ LYS 24 HZ3 LYS 24 13.449 -5.378 -3.399 203 H ALA 25 HN ALA 25 11.662 -1.327 -1.217 204 HA ALA 25 HA ALA 25 13.743 -1.658 -3.198 205 1HB ALA 25 HB1 ALA 25 11.150 -0.167 -2.905 206 2HB ALA 25 HB2 ALA 25 11.577 -1.444 -4.045 207 3HB ALA 25 HB3 ALA 25 12.190 0.192 -4.284 208 H LYS 26 HN LYS 26 12.944 0.913 -0.890 209 HA LYS 26 HA LYS 26 14.477 3.046 -2.023 210 1HB LYS 26 HB2 LYS 26 12.847 2.602 0.167 211 2HB LYS 26 HB1 LYS 26 14.425 2.840 0.918 212 1HG LYS 26 HG2 LYS 26 14.703 4.969 -0.246 213 2HG LYS 26 HG1 LYS 26 13.186 4.722 -1.112 214 1HD LYS 26 HD2 LYS 26 12.336 5.981 0.600 215 2HD LYS 26 HD1 LYS 26 12.305 4.424 1.429 216 1HE LYS 26 HE2 LYS 26 14.899 5.247 1.886 217 2HE LYS 26 HE1 LYS 26 14.003 6.777 1.947 218 1HZ LYS 26 HZ1 LYS 26 13.275 4.283 3.400 219 2HZ LYS 26 HZ2 LYS 26 12.402 5.742 3.441 220 3HZ LYS 26 HZ3 LYS 26 13.966 5.664 4.102 221 H LEU 27 HN LEU 27 15.389 0.431 0.236 222 HA LEU 27 HA LEU 27 18.228 1.345 0.198 223 1HB LEU 27 HB2 LEU 27 16.581 0.456 2.183 224 2HB LEU 27 HB1 LEU 27 17.356 -1.058 1.719 225 HG LEU 27 HG LEU 27 19.481 0.715 1.781 226 1HD1 LEU 27 HD11 LEU 27 17.978 2.415 2.817 227 2HD1 LEU 27 HD12 LEU 27 19.297 1.937 3.887 228 3HD1 LEU 27 HD13 LEU 27 17.674 1.297 4.147 229 1HD2 LEU 27 HD21 LEU 27 18.435 -1.038 4.029 230 2HD2 LEU 27 HD22 LEU 27 20.096 -0.472 3.854 231 3HD2 LEU 27 HD23 LEU 27 19.417 -1.594 2.675 232 H MET 28 HN MET 28 19.540 -1.085 0.495 233 HA MET 28 HA MET 28 20.379 -2.947 -0.680 234 1HB MET 28 HB2 MET 28 17.694 -3.260 -0.532 235 2HB MET 28 HB1 MET 28 17.881 -3.190 -2.283 236 1HG MET 28 HG2 MET 28 19.074 -5.157 -2.373 237 2HG MET 28 HG1 MET 28 19.794 -4.917 -0.782 238 1HE MET 28 HE1 MET 28 16.596 -7.624 -1.962 239 2HE MET 28 HE2 MET 28 18.323 -7.912 -1.760 240 3HE MET 28 HE3 MET 28 17.769 -6.682 -2.892 241 HA PRO 29 HA PRO 29 21.410 -0.361 -4.283 242 1HB PRO 29 HB2 PRO 29 24.053 -1.066 -4.339 243 2HB PRO 29 HB1 PRO 29 23.411 0.205 -3.284 244 1HG PRO 29 HG2 PRO 29 24.158 -2.593 -2.637 245 2HG PRO 29 HG1 PRO 29 24.326 -1.125 -1.663 246 1HD PRO 29 HD2 PRO 29 22.352 -3.005 -1.311 247 2HD PRO 29 HD1 PRO 29 22.227 -1.307 -0.803 248 H GLN 30 HN GLN 30 22.999 -1.181 -6.254 249 HA GLN 30 HA GLN 30 21.633 -3.378 -7.505 250 1HB GLN 30 HB2 GLN 30 23.295 -3.020 -9.273 251 2HB GLN 30 HB1 GLN 30 22.758 -1.464 -8.645 252 1HG GLN 30 HG2 GLN 30 24.845 -1.862 -6.999 253 2HG GLN 30 HG1 GLN 30 25.408 -2.808 -8.375 254 1HE2 GLN 30 HE21 GLN 30 25.722 0.215 -7.132 255 2HE2 GLN 30 HE22 GLN 30 25.882 1.115 -8.564 256 H LEU 31 HN LEU 31 22.212 -5.551 -7.719 257 HA LEU 31 HA LEU 31 24.806 -6.503 -6.625 258 1HB LEU 31 HB2 LEU 31 22.770 -6.285 -4.917 259 2HB LEU 31 HB1 LEU 31 22.296 -7.818 -5.649 260 HG LEU 31 HG LEU 31 24.819 -8.458 -5.240 261 1HD1 LEU 31 HD11 LEU 31 25.812 -7.373 -3.319 262 2HD1 LEU 31 HD12 LEU 31 24.364 -6.403 -3.059 263 3HD1 LEU 31 HD13 LEU 31 25.373 -6.118 -4.476 264 1HD2 LEU 31 HD21 LEU 31 22.943 -8.254 -2.867 265 2HD2 LEU 31 HD22 LEU 31 24.178 -9.480 -3.154 266 3HD2 LEU 31 HD23 LEU 31 22.732 -9.430 -4.164 Start of MODEL 17 1 1H SER 1 HT1 SER 1 -26.758 6.997 4.256 2 2H SER 1 HT2 SER 1 -25.707 6.305 5.398 3 3H SER 1 HT3 SER 1 -27.388 6.249 5.643 4 HA SER 1 HA SER 1 -26.475 4.095 4.871 5 1HB SER 1 HB2 SER 1 -28.346 5.621 3.027 6 2HB SER 1 HB1 SER 1 -28.253 3.867 3.158 7 HG SER 1 HG SER 1 -29.887 4.547 4.497 8 H GLY 2 HN GLY 2 -25.051 3.090 3.469 9 1HA GLY 2 HA2 GLY 2 -23.898 2.762 1.387 10 2HA GLY 2 HA1 GLY 2 -24.325 4.408 0.917 11 H SER 3 HN SER 3 -21.658 2.905 1.132 12 HA SER 3 HA SER 3 -20.218 5.073 2.608 13 1HB SER 3 HB2 SER 3 -20.435 3.093 4.061 14 2HB SER 3 HB1 SER 3 -19.759 2.075 2.792 15 HG SER 3 HG SER 3 -18.366 3.099 4.597 16 H TRP 4 HN TRP 4 -18.891 6.016 1.119 17 HA TRP 4 HA TRP 4 -18.119 4.689 -1.368 18 1HB TRP 4 HB2 TRP 4 -18.348 7.303 -0.336 19 2HB TRP 4 HB1 TRP 4 -16.632 7.094 -0.682 20 HD1 TRP 4 HD1 TRP 4 -19.820 7.908 -2.317 21 HE1 TRP 4 HE1 TRP 4 -19.580 7.828 -4.883 22 HE3 TRP 4 HE3 TRP 4 -15.305 5.557 -2.709 23 HZ2 TRP 4 HZ2 TRP 4 -17.719 6.891 -6.843 24 HZ3 TRP 4 HZ3 TRP 4 -14.323 5.082 -4.932 25 HH2 TRP 4 HH2 TRP 4 -15.523 5.745 -6.998 26 H LEU 5 HN LEU 5 -16.559 5.424 1.732 27 HA LEU 5 HA LEU 5 -13.845 4.945 1.116 28 1HB LEU 5 HB2 LEU 5 -15.630 4.719 3.502 29 2HB LEU 5 HB1 LEU 5 -14.021 4.008 3.625 30 HG LEU 5 HG LEU 5 -13.349 6.370 2.520 31 1HD1 LEU 5 HD11 LEU 5 -14.733 8.125 3.713 32 2HD1 LEU 5 HD12 LEU 5 -15.901 6.855 4.080 33 3HD1 LEU 5 HD13 LEU 5 -15.571 7.293 2.403 34 1HD2 LEU 5 HD21 LEU 5 -13.914 5.896 5.467 35 2HD2 LEU 5 HD22 LEU 5 -12.839 7.137 4.822 36 3HD2 LEU 5 HD23 LEU 5 -12.443 5.432 4.612 37 H ARG 6 HN ARG 6 -16.476 2.612 1.626 38 HA ARG 6 HA ARG 6 -15.037 0.222 2.041 39 1HB ARG 6 HB2 ARG 6 -17.532 0.612 2.043 40 2HB ARG 6 HB1 ARG 6 -17.477 0.614 0.280 41 1HG ARG 6 HG2 ARG 6 -16.075 -1.685 0.942 42 2HG ARG 6 HG1 ARG 6 -17.364 -1.647 2.145 43 1HD ARG 6 HD2 ARG 6 -18.385 -0.947 -0.496 44 2HD ARG 6 HD1 ARG 6 -17.617 -2.546 -0.496 45 HE ARG 6 HE ARG 6 -19.074 -3.138 1.438 46 1HH1 ARG 6 HH21 ARG 6 -19.841 -0.286 2.120 47 2HH1 ARG 6 HH22 ARG 6 -21.466 -0.212 1.524 48 1HH2 ARG 6 HH11 ARG 6 -21.158 -3.083 -0.415 49 2HH2 ARG 6 HH12 ARG 6 -22.217 -1.807 0.084 50 H ASP 7 HN ASP 7 -15.748 1.903 -1.030 51 HA ASP 7 HA ASP 7 -14.532 -0.115 -2.731 52 1HB ASP 7 HB2 ASP 7 -16.269 1.496 -3.450 53 2HB ASP 7 HB1 ASP 7 -15.156 2.831 -3.151 54 H ILE 8 HN ILE 8 -13.449 3.019 -1.393 55 HA ILE 8 HA ILE 8 -10.841 3.012 -2.629 56 HB ILE 8 HB ILE 8 -11.908 4.343 -0.112 57 1HG1 ILE 8 HG12 ILE 8 -11.514 5.899 -2.595 58 2HG1 ILE 8 HG11 ILE 8 -12.783 4.679 -2.696 59 1HG2 ILE 8 HG21 ILE 8 -9.360 4.633 -1.678 60 2HG2 ILE 8 HG22 ILE 8 -9.601 4.638 0.069 61 3HG2 ILE 8 HG23 ILE 8 -10.055 6.049 -0.886 62 1HD1 ILE 8 HD11 ILE 8 -13.412 7.049 -1.816 63 2HD1 ILE 8 HD12 ILE 8 -12.633 6.526 -0.322 64 3HD1 ILE 8 HD13 ILE 8 -14.024 5.642 -0.948 65 H TRP 9 HN TRP 9 -12.122 1.618 0.369 66 HA TRP 9 HA TRP 9 -9.726 1.087 1.784 67 1HB TRP 9 HB2 TRP 9 -12.494 0.050 1.632 68 2HB TRP 9 HB1 TRP 9 -11.323 -1.083 2.306 69 HD1 TRP 9 HD1 TRP 9 -13.634 1.289 3.527 70 HE1 TRP 9 HE1 TRP 9 -12.886 2.380 5.741 71 HE3 TRP 9 HE3 TRP 9 -8.679 0.054 3.493 72 HZ2 TRP 9 HZ2 TRP 9 -10.502 2.690 7.290 73 HZ3 TRP 9 HZ3 TRP 9 -7.194 0.758 5.346 74 HH2 TRP 9 HH2 TRP 9 -8.098 2.074 7.244 75 H ASP 10 HN ASP 10 -11.283 -0.780 -0.840 76 HA ASP 10 HA ASP 10 -9.544 -3.052 -0.804 77 1HB ASP 10 HB2 ASP 10 -11.693 -2.861 -2.034 78 2HB ASP 10 HB1 ASP 10 -10.964 -1.668 -3.110 79 H TRP 11 HN TRP 11 -9.346 0.030 -2.622 80 HA TRP 11 HA TRP 11 -6.851 -0.549 -3.946 81 1HB TRP 11 HB2 TRP 11 -8.344 1.163 -4.768 82 2HB TRP 11 HB1 TRP 11 -8.335 1.995 -3.212 83 HD1 TRP 11 HD1 TRP 11 -6.069 1.251 -6.218 84 HE1 TRP 11 HE1 TRP 11 -4.172 2.996 -6.266 85 HE3 TRP 11 HE3 TRP 11 -6.997 3.683 -1.826 86 HZ2 TRP 11 HZ2 TRP 11 -3.180 5.142 -4.654 87 HZ3 TRP 11 HZ3 TRP 11 -5.562 5.570 -1.106 88 HH2 TRP 11 HH2 TRP 11 -3.656 6.302 -2.513 89 H ILE 12 HN ILE 12 -7.664 1.044 -0.850 90 HA ILE 12 HA ILE 12 -5.081 2.003 -0.136 91 HB ILE 12 HB ILE 12 -7.483 0.982 1.405 92 1HG1 ILE 12 HG12 ILE 12 -6.325 3.773 1.295 93 2HG1 ILE 12 HG11 ILE 12 -7.428 3.185 0.051 94 1HG2 ILE 12 HG21 ILE 12 -5.679 0.577 2.926 95 2HG2 ILE 12 HG22 ILE 12 -6.369 2.128 3.401 96 3HG2 ILE 12 HG23 ILE 12 -4.870 2.078 2.474 97 1HD1 ILE 12 HD11 ILE 12 -8.441 4.446 2.085 98 2HD1 ILE 12 HD12 ILE 12 -8.140 2.951 2.971 99 3HD1 ILE 12 HD13 ILE 12 -9.211 2.946 1.570 100 H CYS 13 HN CYS 13 -6.557 -1.220 0.252 101 HA CYS 13 HA CYS 13 -4.350 -2.411 1.706 102 1HB CYS 13 HB2 CYS 13 -6.694 -3.246 1.658 103 2HB CYS 13 HB1 CYS 13 -6.516 -3.617 -0.057 104 HG CYS 13 HG CYS 13 -4.947 -5.544 0.499 105 H GLU 14 HN GLU 14 -5.186 -2.067 -1.732 106 HA GLU 14 HA GLU 14 -3.229 -3.825 -2.849 107 1HB GLU 14 HB2 GLU 14 -5.093 -1.733 -3.650 108 2HB GLU 14 HB1 GLU 14 -3.608 -1.663 -4.594 109 1HG GLU 14 HG2 GLU 14 -3.871 -3.877 -5.388 110 2HG GLU 14 HG1 GLU 14 -5.057 -4.271 -4.143 111 H VAL 15 HN VAL 15 -3.067 -0.473 -1.761 112 HA VAL 15 HA VAL 15 -0.334 -0.050 -2.763 113 HB VAL 15 HB VAL 15 -2.109 1.546 -0.878 114 1HG1 VAL 15 HG11 VAL 15 -0.095 2.595 -0.553 115 2HG1 VAL 15 HG12 VAL 15 -0.516 3.368 -2.081 116 3HG1 VAL 15 HG13 VAL 15 0.584 1.989 -2.063 117 1HG2 VAL 15 HG21 VAL 15 -1.995 2.856 -3.317 118 2HG2 VAL 15 HG22 VAL 15 -3.339 1.859 -2.761 119 3HG2 VAL 15 HG23 VAL 15 -2.089 1.160 -3.791 120 H LEU 16 HN LEU 16 -1.895 -1.025 0.252 121 HA LEU 16 HA LEU 16 0.222 -0.549 2.100 122 1HB LEU 16 HB2 LEU 16 -2.331 -1.559 2.137 123 2HB LEU 16 HB1 LEU 16 -1.384 -3.013 2.443 124 HG LEU 16 HG LEU 16 -1.928 -1.966 4.571 125 1HD1 LEU 16 HD11 LEU 16 0.390 -2.948 4.168 126 2HD1 LEU 16 HD12 LEU 16 0.267 -1.811 5.510 127 3HD1 LEU 16 HD13 LEU 16 0.960 -1.291 3.975 128 1HD2 LEU 16 HD21 LEU 16 -1.517 0.300 5.079 129 2HD2 LEU 16 HD22 LEU 16 -2.130 0.358 3.427 130 3HD2 LEU 16 HD23 LEU 16 -0.397 0.494 3.730 131 H SER 17 HN SER 17 -0.464 -3.433 0.074 132 HA SER 17 HA SER 17 1.635 -5.107 1.020 133 1HB SER 17 HB2 SER 17 1.372 -6.133 -1.290 134 2HB SER 17 HB1 SER 17 -0.135 -5.934 -0.401 135 HG SER 17 HG SER 17 0.854 -4.551 -2.625 136 H ASP 18 HN ASP 18 1.637 -2.605 -1.530 137 HA ASP 18 HA ASP 18 4.445 -3.036 -2.235 138 1HB ASP 18 HB2 ASP 18 2.811 -2.176 -3.845 139 2HB ASP 18 HB1 ASP 18 2.452 -0.809 -2.789 140 H PHE 19 HN PHE 19 2.612 -0.768 -0.191 141 HA PHE 19 HA PHE 19 4.467 1.189 0.470 142 1HB PHE 19 HB2 PHE 19 2.041 0.300 1.396 143 2HB PHE 19 HB1 PHE 19 3.081 -0.053 2.773 144 HD1 PHE 19 HD1 PHE 19 1.309 2.507 0.983 145 HD2 PHE 19 HD2 PHE 19 4.619 1.822 3.633 146 HE1 PHE 19 HE1 PHE 19 1.299 4.904 1.616 147 HE2 PHE 19 HE2 PHE 19 4.609 4.219 4.265 148 HZ PHE 19 HZ PHE 19 2.949 5.762 3.257 149 H LYS 20 HN LYS 20 4.226 -2.040 2.013 150 HA LYS 20 HA LYS 20 6.473 -1.729 3.766 151 1HB LYS 20 HB2 LYS 20 4.593 -3.445 3.815 152 2HB LYS 20 HB1 LYS 20 5.428 -4.282 2.507 153 1HG LYS 20 HG2 LYS 20 6.244 -5.368 4.427 154 2HG LYS 20 HG1 LYS 20 7.505 -4.187 4.074 155 1HD LYS 20 HD2 LYS 20 5.258 -3.333 5.853 156 2HD LYS 20 HD1 LYS 20 6.470 -4.425 6.525 157 1HE LYS 20 HE2 LYS 20 7.920 -2.701 6.766 158 2HE LYS 20 HE1 LYS 20 7.800 -2.333 5.034 159 1HZ LYS 20 HZ1 LYS 20 5.859 -1.498 7.130 160 2HZ LYS 20 HZ2 LYS 20 5.700 -1.187 5.468 161 3HZ LYS 20 HZ3 LYS 20 6.968 -0.481 6.349 162 H THR 21 HN THR 21 6.224 -3.135 0.476 163 HA THR 21 HA THR 21 9.028 -3.861 0.301 164 HB THR 21 HB THR 21 7.080 -3.262 -1.949 165 HG1 THR 21 HG1 THR 21 5.970 -4.907 -1.312 166 1HG2 THR 21 HG21 THR 21 8.525 -5.522 -2.577 167 2HG2 THR 21 HG22 THR 21 9.709 -4.550 -1.703 168 3HG2 THR 21 HG23 THR 21 8.906 -3.890 -3.129 169 H TRP 22 HN TRP 22 7.131 -1.016 -0.687 170 HA TRP 22 HA TRP 22 9.039 0.395 -2.221 171 1HB TRP 22 HB2 TRP 22 6.550 0.847 -1.543 172 2HB TRP 22 HB1 TRP 22 7.250 1.706 -0.175 173 HD1 TRP 22 HD1 TRP 22 6.968 1.839 -3.978 174 HE1 TRP 22 HE1 TRP 22 7.685 4.182 -4.779 175 HE3 TRP 22 HE3 TRP 22 8.701 3.782 0.414 176 HZ2 TRP 22 HZ2 TRP 22 8.840 6.567 -3.699 177 HZ3 TRP 22 HZ3 TRP 22 9.602 6.089 0.501 178 HH2 TRP 22 HH2 TRP 22 9.674 7.483 -1.549 179 H LEU 23 HN LEU 23 8.505 0.484 1.310 180 HA LEU 23 HA LEU 23 10.654 2.293 1.927 181 1HB LEU 23 HB2 LEU 23 8.766 0.491 3.300 182 2HB LEU 23 HB1 LEU 23 10.285 0.716 4.165 183 HG LEU 23 HG LEU 23 9.878 3.264 3.588 184 1HD1 LEU 23 HD11 LEU 23 7.502 3.842 3.544 185 2HD1 LEU 23 HD12 LEU 23 7.061 2.136 3.615 186 3HD1 LEU 23 HD13 LEU 23 7.875 2.779 2.188 187 1HD2 LEU 23 HD21 LEU 23 9.915 2.106 5.858 188 2HD2 LEU 23 HD22 LEU 23 8.166 1.937 5.708 189 3HD2 LEU 23 HD23 LEU 23 8.896 3.542 5.762 190 H LYS 24 HN LYS 24 10.498 -1.295 1.909 191 HA LYS 24 HA LYS 24 13.215 -1.706 2.805 192 1HB LYS 24 HB2 LYS 24 10.905 -3.216 2.017 193 2HB LYS 24 HB1 LYS 24 12.300 -3.843 1.138 194 1HG LYS 24 HG2 LYS 24 13.538 -3.870 3.364 195 2HG LYS 24 HG1 LYS 24 11.983 -3.560 4.134 196 1HD LYS 24 HD2 LYS 24 12.581 -5.909 2.308 197 2HD LYS 24 HD1 LYS 24 12.518 -5.987 4.068 198 1HE LYS 24 HE2 LYS 24 10.200 -5.172 2.269 199 2HE LYS 24 HE1 LYS 24 10.367 -6.734 3.094 200 1HZ LYS 24 HZ1 LYS 24 9.153 -5.513 4.617 201 2HZ LYS 24 HZ2 LYS 24 9.952 -4.056 4.261 202 3HZ LYS 24 HZ3 LYS 24 10.736 -5.259 5.174 203 H ALA 25 HN ALA 25 11.725 -1.477 -0.431 204 HA ALA 25 HA ALA 25 14.088 -2.119 -1.949 205 1HB ALA 25 HB1 ALA 25 11.865 -2.228 -2.899 206 2HB ALA 25 HB2 ALA 25 12.746 -0.970 -3.767 207 3HB ALA 25 HB3 ALA 25 11.570 -0.529 -2.529 208 H LYS 26 HN LYS 26 12.960 0.853 -0.419 209 HA LYS 26 HA LYS 26 14.651 2.681 -1.904 210 1HB LYS 26 HB2 LYS 26 12.505 3.009 -0.419 211 2HB LYS 26 HB1 LYS 26 13.664 3.131 0.904 212 1HG LYS 26 HG2 LYS 26 14.723 5.030 -0.052 213 2HG LYS 26 HG1 LYS 26 13.965 4.760 -1.622 214 1HD LYS 26 HD2 LYS 26 12.217 6.043 -1.027 215 2HD LYS 26 HD1 LYS 26 11.902 4.997 0.359 216 1HE LYS 26 HE2 LYS 26 13.646 6.254 1.654 217 2HE LYS 26 HE1 LYS 26 13.805 7.366 0.280 218 1HZ LYS 26 HZ1 LYS 26 11.295 6.764 1.760 219 2HZ LYS 26 HZ2 LYS 26 11.410 7.777 0.398 220 3HZ LYS 26 HZ3 LYS 26 12.178 8.210 1.850 221 H LEU 27 HN LEU 27 15.023 0.920 1.191 222 HA LEU 27 HA LEU 27 17.943 1.589 1.110 223 1HB LEU 27 HB2 LEU 27 16.530 3.061 2.642 224 2HB LEU 27 HB1 LEU 27 16.228 1.616 3.607 225 HG LEU 27 HG LEU 27 19.042 1.776 3.071 226 1HD1 LEU 27 HD11 LEU 27 18.733 4.173 2.729 227 2HD1 LEU 27 HD12 LEU 27 19.513 3.906 4.289 228 3HD1 LEU 27 HD13 LEU 27 17.794 4.293 4.217 229 1HD2 LEU 27 HD21 LEU 27 19.170 1.753 5.512 230 2HD2 LEU 27 HD22 LEU 27 17.888 0.660 4.990 231 3HD2 LEU 27 HD23 LEU 27 17.482 2.252 5.632 232 H MET 28 HN MET 28 19.117 -0.265 1.235 233 HA MET 28 HA MET 28 18.260 -2.486 2.996 234 1HB MET 28 HB2 MET 28 17.178 -2.623 0.647 235 2HB MET 28 HB1 MET 28 18.801 -2.989 0.061 236 1HG MET 28 HG2 MET 28 18.685 -5.109 0.823 237 2HG MET 28 HG1 MET 28 18.138 -4.575 2.412 238 1HE MET 28 HE1 MET 28 15.228 -6.790 2.213 239 2HE MET 28 HE2 MET 28 15.902 -5.550 3.268 240 3HE MET 28 HE3 MET 28 16.970 -6.734 2.519 241 HA PRO 29 HA PRO 29 22.841 -1.823 2.573 242 1HB PRO 29 HB2 PRO 29 23.352 -1.500 5.242 243 2HB PRO 29 HB1 PRO 29 22.903 -0.160 4.173 244 1HG PRO 29 HG2 PRO 29 21.259 -1.639 6.147 245 2HG PRO 29 HG1 PRO 29 21.204 0.066 5.684 246 1HD PRO 29 HD2 PRO 29 19.429 -1.860 4.817 247 2HD PRO 29 HD1 PRO 29 19.742 -0.320 3.988 248 H GLN 30 HN GLN 30 24.524 -3.005 4.309 249 HA GLN 30 HA GLN 30 24.027 -5.849 3.997 250 1HB GLN 30 HB2 GLN 30 26.118 -4.078 5.244 251 2HB GLN 30 HB1 GLN 30 26.175 -5.817 5.525 252 1HG GLN 30 HG2 GLN 30 25.880 -4.733 2.730 253 2HG GLN 30 HG1 GLN 30 27.470 -4.855 3.479 254 1HE2 GLN 30 HE21 GLN 30 28.146 -7.083 4.221 255 2HE2 GLN 30 HE22 GLN 30 27.497 -8.441 3.438 256 H LEU 31 HN LEU 31 23.764 -3.566 6.706 257 HA LEU 31 HA LEU 31 23.111 -5.752 8.604 258 1HB LEU 31 HB2 LEU 31 24.624 -3.699 9.020 259 2HB LEU 31 HB1 LEU 31 23.128 -2.767 9.097 260 HG LEU 31 HG LEU 31 22.504 -4.848 10.743 261 1HD1 LEU 31 HD11 LEU 31 24.435 -5.300 12.179 262 2HD1 LEU 31 HD12 LEU 31 25.450 -4.265 11.174 263 3HD1 LEU 31 HD13 LEU 31 24.805 -5.771 10.522 264 1HD2 LEU 31 HD21 LEU 31 24.008 -2.347 11.577 265 2HD2 LEU 31 HD22 LEU 31 22.899 -3.284 12.578 266 3HD2 LEU 31 HD23 LEU 31 22.290 -2.396 11.182 Start of MODEL 18 1 1H SER 1 HT1 SER 1 -16.952 1.867 -16.834 2 2H SER 1 HT2 SER 1 -15.526 1.084 -16.344 3 3H SER 1 HT3 SER 1 -15.855 2.665 -15.816 4 HA SER 1 HA SER 1 -17.806 1.843 -14.581 5 1HB SER 1 HB2 SER 1 -17.635 -0.187 -16.366 6 2HB SER 1 HB1 SER 1 -16.831 -0.940 -14.992 7 HG SER 1 HG SER 1 -18.742 -1.196 -14.178 8 H GLY 2 HN GLY 2 -17.490 1.115 -12.351 9 1HA GLY 2 HA2 GLY 2 -15.231 -0.128 -11.257 10 2HA GLY 2 HA1 GLY 2 -14.820 1.585 -11.347 11 H SER 3 HN SER 3 -15.270 -0.072 -8.937 12 HA SER 3 HA SER 3 -17.836 0.857 -7.813 13 1HB SER 3 HB2 SER 3 -16.653 -0.298 -5.749 14 2HB SER 3 HB1 SER 3 -17.253 -1.281 -7.079 15 HG SER 3 HG SER 3 -15.266 -1.927 -7.269 16 H TRP 4 HN TRP 4 -17.691 1.920 -5.543 17 HA TRP 4 HA TRP 4 -15.579 4.056 -5.589 18 1HB TRP 4 HB2 TRP 4 -18.326 4.247 -5.849 19 2HB TRP 4 HB1 TRP 4 -18.088 4.564 -4.132 20 HD1 TRP 4 HD1 TRP 4 -17.376 5.983 -7.577 21 HE1 TRP 4 HE1 TRP 4 -16.467 8.384 -7.330 22 HE3 TRP 4 HE3 TRP 4 -16.731 6.163 -2.514 23 HZ2 TRP 4 HZ2 TRP 4 -15.583 10.146 -5.255 24 HZ3 TRP 4 HZ3 TRP 4 -15.856 8.212 -1.430 25 HH2 TRP 4 HH2 TRP 4 -15.281 10.201 -2.793 26 H LEU 5 HN LEU 5 -17.875 2.537 -3.267 27 HA LEU 5 HA LEU 5 -16.302 3.126 -0.933 28 1HB LEU 5 HB2 LEU 5 -18.661 1.491 -1.699 29 2HB LEU 5 HB1 LEU 5 -17.828 0.977 -0.232 30 HG LEU 5 HG LEU 5 -18.508 3.881 -0.658 31 1HD1 LEU 5 HD11 LEU 5 -20.620 2.702 -0.957 32 2HD1 LEU 5 HD12 LEU 5 -20.602 3.447 0.641 33 3HD1 LEU 5 HD13 LEU 5 -20.309 1.717 0.472 34 1HD2 LEU 5 HD21 LEU 5 -18.209 2.141 1.813 35 2HD2 LEU 5 HD22 LEU 5 -18.459 3.886 1.800 36 3HD2 LEU 5 HD23 LEU 5 -16.960 3.205 1.167 37 H ARG 6 HN ARG 6 -16.761 0.017 -2.680 38 HA ARG 6 HA ARG 6 -14.815 -1.494 -1.243 39 1HB ARG 6 HB2 ARG 6 -16.476 -2.530 -2.657 40 2HB ARG 6 HB1 ARG 6 -15.922 -1.627 -4.065 41 1HG ARG 6 HG2 ARG 6 -14.202 -3.058 -4.464 42 2HG ARG 6 HG1 ARG 6 -13.824 -3.233 -2.751 43 1HD ARG 6 HD2 ARG 6 -16.379 -4.454 -3.730 44 2HD ARG 6 HD1 ARG 6 -14.854 -5.275 -4.126 45 HE ARG 6 HE ARG 6 -15.408 -4.444 -1.307 46 1HH1 ARG 6 HH11 ARG 6 -12.902 -5.917 -1.998 47 2HH1 ARG 6 HH12 ARG 6 -13.322 -7.555 -1.623 48 1HH2 ARG 6 HH21 ARG 6 -16.742 -6.939 -1.559 49 2HH2 ARG 6 HH22 ARG 6 -15.506 -8.137 -1.373 50 H ASP 7 HN ASP 7 -14.509 0.651 -4.058 51 HA ASP 7 HA ASP 7 -11.830 0.016 -4.823 52 1HB ASP 7 HB2 ASP 7 -13.914 1.786 -5.527 53 2HB ASP 7 HB1 ASP 7 -12.534 2.815 -5.152 54 H ILE 8 HN ILE 8 -13.102 2.461 -2.530 55 HA ILE 8 HA ILE 8 -10.536 3.593 -1.846 56 HB ILE 8 HB ILE 8 -13.293 3.514 -0.606 57 1HG1 ILE 8 HG12 ILE 8 -11.639 5.824 -1.671 58 2HG1 ILE 8 HG11 ILE 8 -12.767 4.899 -2.664 59 1HG2 ILE 8 HG21 ILE 8 -12.342 5.363 0.926 60 2HG2 ILE 8 HG22 ILE 8 -10.755 4.710 0.519 61 3HG2 ILE 8 HG23 ILE 8 -11.942 3.695 1.338 62 1HD1 ILE 8 HD11 ILE 8 -13.690 7.048 -1.625 63 2HD1 ILE 8 HD12 ILE 8 -13.602 6.216 -0.072 64 3HD1 ILE 8 HD13 ILE 8 -14.638 5.586 -1.353 65 H TRP 9 HN TRP 9 -12.607 1.213 -0.120 66 HA TRP 9 HA TRP 9 -10.826 0.685 2.043 67 1HB TRP 9 HB2 TRP 9 -12.932 -0.980 0.631 68 2HB TRP 9 HB1 TRP 9 -12.170 -1.473 2.140 69 HD1 TRP 9 HD1 TRP 9 -15.263 -0.174 1.235 70 HE1 TRP 9 HE1 TRP 9 -16.260 1.463 2.958 71 HE3 TRP 9 HE3 TRP 9 -11.064 0.952 3.920 72 HZ2 TRP 9 HZ2 TRP 9 -15.392 3.043 5.177 73 HZ3 TRP 9 HZ3 TRP 9 -11.180 2.524 5.831 74 HH2 TRP 9 HH2 TRP 9 -13.337 3.570 6.463 75 H ASP 10 HN ASP 10 -11.207 -1.031 -1.079 76 HA ASP 10 HA ASP 10 -9.182 -3.007 -0.631 77 1HB ASP 10 HB2 ASP 10 -11.042 -2.900 -2.379 78 2HB ASP 10 HB1 ASP 10 -10.012 -1.784 -3.277 79 H TRP 11 HN TRP 11 -9.021 0.215 -2.214 80 HA TRP 11 HA TRP 11 -6.274 0.074 -3.010 81 1HB TRP 11 HB2 TRP 11 -7.994 1.734 -3.761 82 2HB TRP 11 HB1 TRP 11 -7.917 2.487 -2.167 83 HD1 TRP 11 HD1 TRP 11 -5.657 1.732 -5.198 84 HE1 TRP 11 HE1 TRP 11 -3.765 3.482 -5.254 85 HE3 TRP 11 HE3 TRP 11 -6.639 4.233 -0.855 86 HZ2 TRP 11 HZ2 TRP 11 -2.796 5.656 -3.667 87 HZ3 TRP 11 HZ3 TRP 11 -5.217 6.137 -0.151 88 HH2 TRP 11 HH2 TRP 11 -3.299 6.850 -1.550 89 H ILE 12 HN ILE 12 -7.794 1.154 0.041 90 HA ILE 12 HA ILE 12 -5.453 2.188 1.319 91 HB ILE 12 HB ILE 12 -8.016 0.883 2.286 92 1HG1 ILE 12 HG12 ILE 12 -7.122 3.746 2.632 93 2HG1 ILE 12 HG11 ILE 12 -7.876 3.209 1.131 94 1HG2 ILE 12 HG21 ILE 12 -7.406 1.859 4.538 95 2HG2 ILE 12 HG22 ILE 12 -5.778 2.124 3.915 96 3HG2 ILE 12 HG23 ILE 12 -6.414 0.485 4.054 97 1HD1 ILE 12 HD11 ILE 12 -9.726 3.924 2.370 98 2HD1 ILE 12 HD12 ILE 12 -9.053 3.344 3.894 99 3HD1 ILE 12 HD13 ILE 12 -9.698 2.196 2.721 100 H CYS 13 HN CYS 13 -6.751 -1.113 1.046 101 HA CYS 13 HA CYS 13 -4.821 -2.373 2.805 102 1HB CYS 13 HB2 CYS 13 -7.124 -3.183 2.009 103 2HB CYS 13 HB1 CYS 13 -6.339 -3.604 0.487 104 HG CYS 13 HG CYS 13 -5.163 -5.519 1.592 105 H GLU 14 HN GLU 14 -4.933 -1.649 -0.676 106 HA GLU 14 HA GLU 14 -2.623 -3.214 -1.432 107 1HB GLU 14 HB2 GLU 14 -4.609 -1.526 -2.598 108 2HB GLU 14 HB1 GLU 14 -3.035 -0.917 -3.105 109 1HG GLU 14 HG2 GLU 14 -2.456 -2.913 -4.177 110 2HG GLU 14 HG1 GLU 14 -3.591 -3.869 -3.222 111 H VAL 15 HN VAL 15 -3.088 0.195 -0.545 112 HA VAL 15 HA VAL 15 -0.403 1.098 -0.975 113 HB VAL 15 HB VAL 15 -2.639 1.976 0.884 114 1HG1 VAL 15 HG11 VAL 15 -0.785 2.997 1.885 115 2HG1 VAL 15 HG12 VAL 15 -1.277 4.212 0.707 116 3HG1 VAL 15 HG13 VAL 15 0.083 3.145 0.357 117 1HG2 VAL 15 HG21 VAL 15 -1.672 3.382 -1.601 118 2HG2 VAL 15 HG22 VAL 15 -3.252 3.472 -0.822 119 3HG2 VAL 15 HG23 VAL 15 -2.798 2.029 -1.728 120 H LEU 16 HN LEU 16 -1.979 -0.417 1.840 121 HA LEU 16 HA LEU 16 0.172 -0.049 3.713 122 1HB LEU 16 HB2 LEU 16 -2.219 -0.641 4.201 123 2HB LEU 16 HB1 LEU 16 -1.917 -2.248 3.538 124 HG LEU 16 HG LEU 16 0.038 -1.372 5.575 125 1HD1 LEU 16 HD11 LEU 16 -2.828 -2.002 6.350 126 2HD1 LEU 16 HD12 LEU 16 -2.062 -0.420 6.497 127 3HD1 LEU 16 HD13 LEU 16 -1.480 -1.774 7.464 128 1HD2 LEU 16 HD21 LEU 16 -0.390 -3.707 6.358 129 2HD2 LEU 16 HD22 LEU 16 0.040 -3.636 4.650 130 3HD2 LEU 16 HD23 LEU 16 -1.643 -3.861 5.126 131 H SER 17 HN SER 17 -0.688 -2.841 1.616 132 HA SER 17 HA SER 17 1.574 -4.464 2.388 133 1HB SER 17 HB2 SER 17 -0.728 -4.916 1.105 134 2HB SER 17 HB1 SER 17 0.291 -4.671 -0.311 135 HG SER 17 HG SER 17 0.903 -6.653 0.020 136 H ASP 18 HN ASP 18 1.004 -2.195 -0.310 137 HA ASP 18 HA ASP 18 3.520 -2.658 -1.649 138 1HB ASP 18 HB2 ASP 18 1.474 -1.628 -2.641 139 2HB ASP 18 HB1 ASP 18 1.702 -0.223 -1.601 140 H PHE 19 HN PHE 19 2.491 -0.413 0.923 141 HA PHE 19 HA PHE 19 4.615 1.403 1.024 142 1HB PHE 19 HB2 PHE 19 2.483 0.582 2.633 143 2HB PHE 19 HB1 PHE 19 3.897 0.339 3.653 144 HD1 PHE 19 HD1 PHE 19 1.571 2.735 2.398 145 HD2 PHE 19 HD2 PHE 19 5.627 2.288 3.742 146 HE1 PHE 19 HE1 PHE 19 1.705 5.176 2.807 147 HE2 PHE 19 HE2 PHE 19 5.760 4.730 4.151 148 HZ PHE 19 HZ PHE 19 3.799 6.174 3.685 149 H LYS 20 HN LYS 20 4.515 -1.835 2.560 150 HA LYS 20 HA LYS 20 7.169 -1.779 3.647 151 1HB LYS 20 HB2 LYS 20 5.247 -3.329 4.200 152 2HB LYS 20 HB1 LYS 20 5.555 -4.160 2.676 153 1HG LYS 20 HG2 LYS 20 7.847 -4.680 3.400 154 2HG LYS 20 HG1 LYS 20 7.573 -3.818 4.915 155 1HD LYS 20 HD2 LYS 20 5.705 -6.033 4.117 156 2HD LYS 20 HD1 LYS 20 7.266 -6.428 4.839 157 1HE LYS 20 HE2 LYS 20 6.749 -5.277 6.860 158 2HE LYS 20 HE1 LYS 20 5.378 -4.430 6.118 159 1HZ LYS 20 HZ1 LYS 20 5.574 -7.384 6.401 160 2HZ LYS 20 HZ2 LYS 20 4.240 -6.505 5.821 161 3HZ LYS 20 HZ3 LYS 20 4.697 -6.383 7.453 162 H THR 21 HN THR 21 5.915 -3.081 0.548 163 HA THR 21 HA THR 21 8.483 -4.029 -0.397 164 HB THR 21 HB THR 21 6.053 -3.219 -2.022 165 HG1 THR 21 HG1 THR 21 5.018 -4.697 -0.981 166 1HG2 THR 21 HG21 THR 21 6.881 -4.583 -3.675 167 2HG2 THR 21 HG22 THR 21 7.663 -5.674 -2.529 168 3HG2 THR 21 HG23 THR 21 8.411 -4.126 -2.925 169 H TRP 22 HN TRP 22 6.669 -0.989 -0.830 170 HA TRP 22 HA TRP 22 8.218 0.252 -2.846 171 1HB TRP 22 HB2 TRP 22 6.067 0.933 -1.473 172 2HB TRP 22 HB1 TRP 22 7.228 1.741 -0.424 173 HD1 TRP 22 HD1 TRP 22 5.872 1.793 -3.999 174 HE1 TRP 22 HE1 TRP 22 6.496 4.046 -5.084 175 HE3 TRP 22 HE3 TRP 22 8.892 3.721 -0.359 176 HZ2 TRP 22 HZ2 TRP 22 8.067 6.362 -4.488 177 HZ3 TRP 22 HZ3 TRP 22 9.937 5.950 -0.642 178 HH2 TRP 22 HH2 TRP 22 9.530 7.272 -2.701 179 H LEU 23 HN LEU 23 8.655 0.387 0.700 180 HA LEU 23 HA LEU 23 11.095 1.909 0.669 181 1HB LEU 23 HB2 LEU 23 9.465 0.308 2.555 182 2HB LEU 23 HB1 LEU 23 11.170 0.444 2.983 183 HG LEU 23 HG LEU 23 10.790 2.998 2.410 184 1HD1 LEU 23 HD11 LEU 23 8.425 2.516 1.631 185 2HD1 LEU 23 HD12 LEU 23 8.558 3.782 2.850 186 3HD1 LEU 23 HD13 LEU 23 8.020 2.168 3.312 187 1HD2 LEU 23 HD21 LEU 23 9.669 1.787 4.956 188 2HD2 LEU 23 HD22 LEU 23 10.344 3.405 4.767 189 3HD2 LEU 23 HD23 LEU 23 11.390 1.991 4.633 190 H LYS 24 HN LYS 24 10.479 -1.622 0.738 191 HA LYS 24 HA LYS 24 13.237 -2.430 0.962 192 1HB LYS 24 HB2 LYS 24 10.623 -3.653 0.117 193 2HB LYS 24 HB1 LYS 24 12.115 -4.558 -0.144 194 1HG LYS 24 HG2 LYS 24 12.622 -3.957 2.351 195 2HG LYS 24 HG1 LYS 24 10.888 -3.653 2.450 196 1HD LYS 24 HD2 LYS 24 10.904 -5.902 2.981 197 2HD LYS 24 HD1 LYS 24 10.768 -6.020 1.227 198 1HE LYS 24 HE2 LYS 24 12.567 -7.464 1.621 199 2HE LYS 24 HE1 LYS 24 13.434 -5.938 1.355 200 1HZ LYS 24 HZ1 LYS 24 12.453 -6.763 4.032 201 2HZ LYS 24 HZ2 LYS 24 13.579 -5.545 3.656 202 3HZ LYS 24 HZ3 LYS 24 13.999 -7.181 3.472 203 H ALA 25 HN ALA 25 11.079 -2.043 -1.870 204 HA ALA 25 HA ALA 25 13.027 -2.824 -3.849 205 1HB ALA 25 HB1 ALA 25 10.582 -2.815 -4.175 206 2HB ALA 25 HB2 ALA 25 11.365 -1.797 -5.383 207 3HB ALA 25 HB3 ALA 25 10.558 -1.061 -3.998 208 H LYS 26 HN LYS 26 12.224 0.283 -2.324 209 HA LYS 26 HA LYS 26 13.548 2.060 -4.103 210 1HB LYS 26 HB2 LYS 26 12.467 2.017 -1.395 211 2HB LYS 26 HB1 LYS 26 13.894 3.046 -1.500 212 1HG LYS 26 HG2 LYS 26 12.051 3.369 -3.769 213 2HG LYS 26 HG1 LYS 26 11.342 3.811 -2.216 214 1HD LYS 26 HD2 LYS 26 13.047 5.415 -1.774 215 2HD LYS 26 HD1 LYS 26 14.073 4.793 -3.068 216 1HE LYS 26 HE2 LYS 26 11.346 5.771 -3.830 217 2HE LYS 26 HE1 LYS 26 12.579 6.984 -3.434 218 1HZ LYS 26 HZ1 LYS 26 12.815 4.778 -5.414 219 2HZ LYS 26 HZ2 LYS 26 14.114 5.762 -4.933 220 3HZ LYS 26 HZ3 LYS 26 12.785 6.441 -5.745 221 H LEU 27 HN LEU 27 14.842 0.296 -1.260 222 HA LEU 27 HA LEU 27 17.579 1.267 -1.886 223 1HB LEU 27 HB2 LEU 27 18.117 0.393 0.296 224 2HB LEU 27 HB1 LEU 27 16.557 1.197 0.437 225 HG LEU 27 HG LEU 27 15.829 -1.377 -0.256 226 1HD1 LEU 27 HD11 LEU 27 18.154 -1.531 1.687 227 2HD1 LEU 27 HD12 LEU 27 18.188 -2.111 0.022 228 3HD1 LEU 27 HD13 LEU 27 17.117 -2.871 1.199 229 1HD2 LEU 27 HD21 LEU 27 15.546 0.411 1.914 230 2HD2 LEU 27 HD22 LEU 27 16.050 -1.125 2.619 231 3HD2 LEU 27 HD23 LEU 27 14.606 -1.050 1.609 232 H MET 28 HN MET 28 15.608 -1.626 -2.223 233 HA MET 28 HA MET 28 17.918 -2.990 -3.547 234 1HB MET 28 HB2 MET 28 16.487 -3.685 -1.090 235 2HB MET 28 HB1 MET 28 16.441 -4.995 -2.272 236 1HG MET 28 HG2 MET 28 18.785 -5.177 -2.349 237 2HG MET 28 HG1 MET 28 19.025 -3.565 -1.673 238 1HE MET 28 HE1 MET 28 20.848 -4.698 -0.030 239 2HE MET 28 HE2 MET 28 20.199 -4.544 1.601 240 3HE MET 28 HE3 MET 28 19.908 -3.268 0.420 241 HA PRO 29 HA PRO 29 14.048 -3.036 -6.096 242 1HB PRO 29 HB2 PRO 29 15.284 -2.390 -8.452 243 2HB PRO 29 HB1 PRO 29 14.696 -1.179 -7.299 244 1HG PRO 29 HG2 PRO 29 17.460 -2.182 -7.746 245 2HG PRO 29 HG1 PRO 29 16.901 -0.543 -7.380 246 1HD PRO 29 HD2 PRO 29 18.015 -2.205 -5.526 247 2HD PRO 29 HD1 PRO 29 16.853 -0.922 -5.125 248 H GLN 30 HN GLN 30 13.841 -4.259 -8.344 249 HA GLN 30 HA GLN 30 15.750 -6.532 -8.575 250 1HB GLN 30 HB2 GLN 30 13.792 -8.112 -8.433 251 2HB GLN 30 HB1 GLN 30 14.111 -7.256 -6.926 252 1HG GLN 30 HG2 GLN 30 12.178 -6.021 -7.059 253 2HG GLN 30 HG1 GLN 30 12.227 -5.940 -8.819 254 1HE2 GLN 30 HE21 GLN 30 10.949 -7.731 -6.102 255 2HE2 GLN 30 HE22 GLN 30 10.110 -8.893 -7.011 256 H LEU 31 HN LEU 31 15.523 -4.511 -10.450 257 HA LEU 31 HA LEU 31 13.696 -5.525 -12.587 258 1HB LEU 31 HB2 LEU 31 13.776 -3.097 -11.793 259 2HB LEU 31 HB1 LEU 31 15.379 -3.006 -12.523 260 HG LEU 31 HG LEU 31 14.094 -4.032 -14.620 261 1HD1 LEU 31 HD11 LEU 31 11.813 -3.019 -14.760 262 2HD1 LEU 31 HD12 LEU 31 11.951 -2.549 -13.066 263 3HD1 LEU 31 HD13 LEU 31 11.934 -4.256 -13.508 264 1HD2 LEU 31 HD21 LEU 31 13.873 -1.110 -13.820 265 2HD2 LEU 31 HD22 LEU 31 13.829 -1.744 -15.466 266 3HD2 LEU 31 HD23 LEU 31 15.311 -1.859 -14.516 Start of MODEL 19 1 1H SER 1 HT1 SER 1 -27.737 -1.236 -4.597 2 2H SER 1 HT2 SER 1 -26.174 -1.907 -4.602 3 3H SER 1 HT3 SER 1 -26.961 -1.567 -6.070 4 HA SER 1 HA SER 1 -26.828 0.790 -5.687 5 1HB SER 1 HB2 SER 1 -25.712 -0.132 -3.019 6 2HB SER 1 HB1 SER 1 -25.801 1.548 -3.539 7 HG SER 1 HG SER 1 -27.635 1.165 -2.383 8 H GLY 2 HN GLY 2 -24.762 2.055 -5.890 9 1HA GLY 2 HA2 GLY 2 -22.697 0.466 -7.186 10 2HA GLY 2 HA1 GLY 2 -22.660 2.213 -6.949 11 H SER 3 HN SER 3 -20.433 0.406 -6.510 12 HA SER 3 HA SER 3 -20.144 0.387 -3.533 13 1HB SER 3 HB2 SER 3 -19.740 -1.679 -4.884 14 2HB SER 3 HB1 SER 3 -18.453 -0.835 -5.742 15 HG SER 3 HG SER 3 -17.197 -1.054 -4.056 16 H TRP 4 HN TRP 4 -19.234 2.264 -2.759 17 HA TRP 4 HA TRP 4 -17.044 3.545 -4.370 18 1HB TRP 4 HB2 TRP 4 -19.522 4.526 -3.451 19 2HB TRP 4 HB1 TRP 4 -18.319 5.241 -2.379 20 HD1 TRP 4 HD1 TRP 4 -19.349 5.079 -6.056 21 HE1 TRP 4 HE1 TRP 4 -18.213 7.019 -7.321 22 HE3 TRP 4 HE3 TRP 4 -16.292 6.860 -2.375 23 HZ2 TRP 4 HZ2 TRP 4 -16.264 9.055 -6.834 24 HZ3 TRP 4 HZ3 TRP 4 -14.807 8.797 -2.801 25 HH2 TRP 4 HH2 TRP 4 -14.789 9.895 -5.024 26 H LEU 5 HN LEU 5 -18.218 3.516 -0.966 27 HA LEU 5 HA LEU 5 -15.718 4.083 0.263 28 1HB LEU 5 HB2 LEU 5 -18.323 2.816 1.046 29 2HB LEU 5 HB1 LEU 5 -16.975 2.714 2.179 30 HG LEU 5 HG LEU 5 -17.734 5.348 0.919 31 1HD1 LEU 5 HD11 LEU 5 -18.862 4.143 3.465 32 2HD1 LEU 5 HD12 LEU 5 -19.768 4.460 1.985 33 3HD1 LEU 5 HD13 LEU 5 -19.113 5.801 2.923 34 1HD2 LEU 5 HD21 LEU 5 -16.522 6.276 2.750 35 2HD2 LEU 5 HD22 LEU 5 -15.545 4.915 2.198 36 3HD2 LEU 5 HD23 LEU 5 -16.549 4.753 3.639 37 H ARG 6 HN ARG 6 -17.203 0.949 -0.600 38 HA ARG 6 HA ARG 6 -15.112 -0.689 0.562 39 1HB ARG 6 HB2 ARG 6 -17.605 -1.141 -0.283 40 2HB ARG 6 HB1 ARG 6 -16.772 -1.558 -1.779 41 1HG ARG 6 HG2 ARG 6 -16.475 -3.604 -0.859 42 2HG ARG 6 HG1 ARG 6 -15.246 -2.836 0.145 43 1HD ARG 6 HD2 ARG 6 -18.029 -2.500 1.117 44 2HD ARG 6 HD1 ARG 6 -17.401 -4.158 1.176 45 HE ARG 6 HE ARG 6 -15.315 -2.991 2.274 46 1HH1 ARG 6 HH11 ARG 6 -18.213 -3.464 3.633 47 2HH1 ARG 6 HH12 ARG 6 -18.191 -2.119 4.722 48 1HH2 ARG 6 HH21 ARG 6 -15.443 -0.612 3.226 49 2HH2 ARG 6 HH22 ARG 6 -16.617 -0.502 4.493 50 H ASP 7 HN ASP 7 -15.706 0.668 -2.678 51 HA ASP 7 HA ASP 7 -13.639 -0.647 -4.126 52 1HB ASP 7 HB2 ASP 7 -15.599 0.936 -4.825 53 2HB ASP 7 HB1 ASP 7 -14.442 2.235 -4.535 54 H ILE 8 HN ILE 8 -13.575 2.348 -2.176 55 HA ILE 8 HA ILE 8 -10.807 3.004 -2.737 56 HB ILE 8 HB ILE 8 -12.721 3.749 -0.496 57 1HG1 ILE 8 HG12 ILE 8 -11.899 5.589 -2.712 58 2HG1 ILE 8 HG11 ILE 8 -13.071 4.324 -3.080 59 1HG2 ILE 8 HG21 ILE 8 -10.997 5.832 -0.662 60 2HG2 ILE 8 HG22 ILE 8 -9.905 4.510 -1.074 61 3HG2 ILE 8 HG23 ILE 8 -10.775 4.491 0.460 62 1HD1 ILE 8 HD11 ILE 8 -13.389 6.755 -1.450 63 2HD1 ILE 8 HD12 ILE 8 -14.031 5.295 -0.696 64 3HD1 ILE 8 HD13 ILE 8 -14.607 5.793 -2.286 65 H TRP 9 HN TRP 9 -12.455 1.166 -0.166 66 HA TRP 9 HA TRP 9 -10.335 0.809 1.666 67 1HB TRP 9 HB2 TRP 9 -12.788 0.131 1.819 68 2HB TRP 9 HB1 TRP 9 -12.373 -1.281 0.845 69 HD1 TRP 9 HD1 TRP 9 -12.011 -3.315 2.317 70 HE1 TRP 9 HE1 TRP 9 -10.954 -3.767 4.625 71 HE3 TRP 9 HE3 TRP 9 -10.714 1.443 3.642 72 HZ2 TRP 9 HZ2 TRP 9 -9.722 -2.303 6.752 73 HZ3 TRP 9 HZ3 TRP 9 -9.601 1.885 5.810 74 HH2 TRP 9 HH2 TRP 9 -9.104 0.020 7.366 75 H ASP 10 HN ASP 10 -11.071 -1.027 -1.313 76 HA ASP 10 HA ASP 10 -9.093 -3.070 -1.031 77 1HB ASP 10 HB2 ASP 10 -11.008 -2.930 -2.674 78 2HB ASP 10 HB1 ASP 10 -10.083 -1.721 -3.565 79 H TRP 11 HN TRP 11 -8.920 0.142 -2.611 80 HA TRP 11 HA TRP 11 -6.178 -0.072 -3.462 81 1HB TRP 11 HB2 TRP 11 -7.741 1.534 -4.411 82 2HB TRP 11 HB1 TRP 11 -7.996 2.278 -2.833 83 HD1 TRP 11 HD1 TRP 11 -5.197 1.742 -5.429 84 HE1 TRP 11 HE1 TRP 11 -3.498 3.664 -5.192 85 HE3 TRP 11 HE3 TRP 11 -7.149 4.147 -1.371 86 HZ2 TRP 11 HZ2 TRP 11 -3.029 5.929 -3.506 87 HZ3 TRP 11 HZ3 TRP 11 -6.057 6.182 -0.471 88 HH2 TRP 11 HH2 TRP 11 -4.002 7.074 -1.531 89 H ILE 12 HN ILE 12 -7.695 1.156 -0.470 90 HA ILE 12 HA ILE 12 -5.373 2.296 0.746 91 HB ILE 12 HB ILE 12 -7.897 0.977 1.796 92 1HG1 ILE 12 HG12 ILE 12 -7.101 3.883 1.963 93 2HG1 ILE 12 HG11 ILE 12 -7.819 3.233 0.489 94 1HG2 ILE 12 HG21 ILE 12 -5.573 2.180 3.284 95 2HG2 ILE 12 HG22 ILE 12 -6.507 0.734 3.668 96 3HG2 ILE 12 HG23 ILE 12 -7.205 2.331 3.935 97 1HD1 ILE 12 HD11 ILE 12 -9.440 4.245 2.207 98 2HD1 ILE 12 HD12 ILE 12 -9.098 2.827 3.197 99 3HD1 ILE 12 HD13 ILE 12 -9.830 2.635 1.605 100 H CYS 13 HN CYS 13 -6.583 -1.047 0.629 101 HA CYS 13 HA CYS 13 -4.589 -2.148 2.440 102 1HB CYS 13 HB2 CYS 13 -6.843 -3.116 1.903 103 2HB CYS 13 HB1 CYS 13 -6.268 -3.460 0.272 104 HG CYS 13 HG CYS 13 -4.580 -5.173 1.248 105 H GLU 14 HN GLU 14 -4.836 -1.671 -1.076 106 HA GLU 14 HA GLU 14 -2.570 -3.238 -1.876 107 1HB GLU 14 HB2 GLU 14 -4.553 -1.587 -3.015 108 2HB GLU 14 HB1 GLU 14 -3.018 -0.853 -3.474 109 1HG GLU 14 HG2 GLU 14 -2.338 -3.338 -4.044 110 2HG GLU 14 HG1 GLU 14 -4.083 -3.581 -4.132 111 H VAL 15 HN VAL 15 -2.905 0.205 -1.041 112 HA VAL 15 HA VAL 15 -0.154 0.941 -1.468 113 HB VAL 15 HB VAL 15 -2.320 2.076 0.340 114 1HG1 VAL 15 HG11 VAL 15 -0.516 3.247 1.141 115 2HG1 VAL 15 HG12 VAL 15 -0.774 4.196 -0.322 116 3HG1 VAL 15 HG13 VAL 15 0.458 2.933 -0.296 117 1HG2 VAL 15 HG21 VAL 15 -1.845 2.105 -2.546 118 2HG2 VAL 15 HG22 VAL 15 -1.935 3.732 -1.873 119 3HG2 VAL 15 HG23 VAL 15 -3.275 2.610 -1.644 120 H LEU 16 HN LEU 16 -1.917 -0.322 1.358 121 HA LEU 16 HA LEU 16 0.124 0.012 3.333 122 1HB LEU 16 HB2 LEU 16 -2.339 -0.651 3.571 123 2HB LEU 16 HB1 LEU 16 -1.854 -2.277 3.094 124 HG LEU 16 HG LEU 16 -0.089 -2.077 4.991 125 1HD1 LEU 16 HD11 LEU 16 -0.881 -0.581 6.845 126 2HD1 LEU 16 HD12 LEU 16 -2.046 0.122 5.724 127 3HD1 LEU 16 HD13 LEU 16 -0.317 0.303 5.428 128 1HD2 LEU 16 HD21 LEU 16 -3.060 -2.248 5.597 129 2HD2 LEU 16 HD22 LEU 16 -1.778 -2.821 6.664 130 3HD2 LEU 16 HD23 LEU 16 -2.025 -3.584 5.093 131 H SER 17 HN SER 17 -0.593 -2.724 1.135 132 HA SER 17 HA SER 17 1.619 -4.383 1.983 133 1HB SER 17 HB2 SER 17 -0.467 -5.094 0.754 134 2HB SER 17 HB1 SER 17 0.149 -4.273 -0.676 135 HG SER 17 HG SER 17 1.755 -5.732 -0.834 136 H ASP 18 HN ASP 18 1.172 -1.943 -0.567 137 HA ASP 18 HA ASP 18 3.711 -2.295 -1.875 138 1HB ASP 18 HB2 ASP 18 1.726 -1.124 -2.808 139 2HB ASP 18 HB1 ASP 18 1.913 0.139 -1.593 140 H PHE 19 HN PHE 19 2.619 -0.141 0.767 141 HA PHE 19 HA PHE 19 4.842 1.497 1.158 142 1HB PHE 19 HB2 PHE 19 2.526 0.819 2.503 143 2HB PHE 19 HB1 PHE 19 3.774 0.270 3.619 144 HD1 PHE 19 HD1 PHE 19 5.748 1.943 4.057 145 HD2 PHE 19 HD2 PHE 19 1.912 3.081 2.493 146 HE1 PHE 19 HE1 PHE 19 6.153 4.283 4.768 147 HE2 PHE 19 HE2 PHE 19 2.318 5.422 3.205 148 HZ PHE 19 HZ PHE 19 4.437 6.023 4.342 149 H LYS 20 HN LYS 20 4.397 -1.816 2.442 150 HA LYS 20 HA LYS 20 6.943 -2.031 3.748 151 1HB LYS 20 HB2 LYS 20 4.879 -3.474 4.014 152 2HB LYS 20 HB1 LYS 20 5.266 -4.212 2.459 153 1HG LYS 20 HG2 LYS 20 7.646 -4.235 4.034 154 2HG LYS 20 HG1 LYS 20 6.335 -4.848 5.042 155 1HD LYS 20 HD2 LYS 20 5.779 -6.151 2.732 156 2HD LYS 20 HD1 LYS 20 7.531 -6.009 2.584 157 1HE LYS 20 HE2 LYS 20 7.428 -7.974 3.818 158 2HE LYS 20 HE1 LYS 20 7.401 -6.812 5.158 159 1HZ LYS 20 HZ1 LYS 20 4.879 -6.764 4.704 160 2HZ LYS 20 HZ2 LYS 20 5.521 -8.088 5.555 161 3HZ LYS 20 HZ3 LYS 20 5.138 -8.239 3.906 162 H THR 21 HN THR 21 5.871 -3.058 0.480 163 HA THR 21 HA THR 21 8.446 -4.077 -0.349 164 HB THR 21 HB THR 21 6.198 -2.991 -2.074 165 HG1 THR 21 HG1 THR 21 5.003 -4.536 -1.343 166 1HG2 THR 21 HG21 THR 21 7.728 -5.488 -2.655 167 2HG2 THR 21 HG22 THR 21 8.553 -3.948 -2.898 168 3HG2 THR 21 HG23 THR 21 7.059 -4.293 -3.768 169 H TRP 22 HN TRP 22 6.871 -0.900 -0.590 170 HA TRP 22 HA TRP 22 8.625 0.417 -2.395 171 1HB TRP 22 HB2 TRP 22 6.428 1.156 -1.254 172 2HB TRP 22 HB1 TRP 22 7.429 1.619 0.116 173 HD1 TRP 22 HD1 TRP 22 6.739 2.514 -3.534 174 HE1 TRP 22 HE1 TRP 22 7.724 4.848 -4.012 175 HE3 TRP 22 HE3 TRP 22 9.228 3.338 0.850 176 HZ2 TRP 22 HZ2 TRP 22 9.353 6.806 -2.708 177 HZ3 TRP 22 HZ3 TRP 22 10.485 5.444 1.204 178 HH2 TRP 22 HH2 TRP 22 10.550 7.177 -0.566 179 H LEU 23 HN LEU 23 8.800 0.114 1.155 180 HA LEU 23 HA LEU 23 11.268 1.527 1.532 181 1HB LEU 23 HB2 LEU 23 9.438 -0.240 3.015 182 2HB LEU 23 HB1 LEU 23 11.113 -0.371 3.548 183 HG LEU 23 HG LEU 23 11.063 2.247 3.502 184 1HD1 LEU 23 HD11 LEU 23 8.133 1.741 4.025 185 2HD1 LEU 23 HD12 LEU 23 8.719 2.134 2.409 186 3HD1 LEU 23 HD13 LEU 23 8.946 3.278 3.731 187 1HD2 LEU 23 HD21 LEU 23 9.561 0.634 5.591 188 2HD2 LEU 23 HD22 LEU 23 10.221 2.251 5.837 189 3HD2 LEU 23 HD23 LEU 23 11.304 0.892 5.543 190 H LYS 24 HN LYS 24 10.590 -1.965 1.068 191 HA LYS 24 HA LYS 24 13.331 -2.842 1.264 192 1HB LYS 24 HB2 LYS 24 11.024 -4.097 1.340 193 2HB LYS 24 HB1 LYS 24 11.210 -4.177 -0.412 194 1HG LYS 24 HG2 LYS 24 13.581 -5.096 0.077 195 2HG LYS 24 HG1 LYS 24 12.988 -5.366 1.717 196 1HD LYS 24 HD2 LYS 24 11.376 -6.927 1.015 197 2HD LYS 24 HD1 LYS 24 11.413 -6.355 -0.653 198 1HE LYS 24 HE2 LYS 24 14.036 -7.310 0.263 199 2HE LYS 24 HE1 LYS 24 12.788 -8.571 0.290 200 1HZ LYS 24 HZ1 LYS 24 13.149 -6.720 -2.001 201 2HZ LYS 24 HZ2 LYS 24 12.228 -8.146 -1.948 202 3HZ LYS 24 HZ3 LYS 24 13.924 -8.226 -1.917 203 H ALA 25 HN ALA 25 11.273 -1.908 -1.503 204 HA ALA 25 HA ALA 25 13.215 -2.494 -3.559 205 1HB ALA 25 HB1 ALA 25 10.812 -2.291 -3.967 206 2HB ALA 25 HB2 ALA 25 11.660 -1.062 -4.908 207 3HB ALA 25 HB3 ALA 25 10.834 -0.615 -3.415 208 H LYS 26 HN LYS 26 12.634 0.309 -1.483 209 HA LYS 26 HA LYS 26 14.270 2.171 -3.005 210 1HB LYS 26 HB2 LYS 26 12.886 2.032 -0.358 211 2HB LYS 26 HB1 LYS 26 14.133 3.262 -0.561 212 1HG LYS 26 HG2 LYS 26 12.331 3.097 -2.866 213 2HG LYS 26 HG1 LYS 26 11.487 3.500 -1.369 214 1HD LYS 26 HD2 LYS 26 12.149 5.615 -2.077 215 2HD LYS 26 HD1 LYS 26 13.503 5.173 -1.039 216 1HE LYS 26 HE2 LYS 26 13.953 4.143 -3.710 217 2HE LYS 26 HE1 LYS 26 13.639 5.888 -3.771 218 1HZ LYS 26 HZ1 LYS 26 15.582 4.505 -1.992 219 2HZ LYS 26 HZ2 LYS 26 15.214 6.164 -1.916 220 3HZ LYS 26 HZ3 LYS 26 15.961 5.519 -3.299 221 H LEU 27 HN LEU 27 14.855 0.060 -0.170 222 HA LEU 27 HA LEU 27 17.768 0.211 -0.689 223 1HB LEU 27 HB2 LEU 27 17.117 2.173 0.738 224 2HB LEU 27 HB1 LEU 27 16.540 1.041 1.960 225 HG LEU 27 HG LEU 27 19.037 0.048 1.501 226 1HD1 LEU 27 HD11 LEU 27 20.609 1.889 1.311 227 2HD1 LEU 27 HD12 LEU 27 19.294 3.063 1.309 228 3HD1 LEU 27 HD13 LEU 27 19.497 1.965 -0.056 229 1HD2 LEU 27 HD21 LEU 27 18.187 2.244 3.417 230 2HD2 LEU 27 HD22 LEU 27 19.687 1.327 3.572 231 3HD2 LEU 27 HD23 LEU 27 18.133 0.504 3.707 232 H MET 28 HN MET 28 18.344 -1.906 -0.624 233 HA MET 28 HA MET 28 18.082 -3.563 1.696 234 1HB MET 28 HB2 MET 28 15.744 -3.686 1.199 235 2HB MET 28 HB1 MET 28 16.045 -3.926 -0.517 236 1HG MET 28 HG2 MET 28 15.830 -6.141 -0.081 237 2HG MET 28 HG1 MET 28 17.430 -6.027 0.652 238 1HE MET 28 HE1 MET 28 17.253 -7.839 1.935 239 2HE MET 28 HE2 MET 28 15.588 -8.415 1.922 240 3HE MET 28 HE3 MET 28 16.373 -8.047 3.456 241 HA PRO 29 HA PRO 29 19.773 -6.263 -1.882 242 1HB PRO 29 HB2 PRO 29 19.666 -5.301 -4.441 243 2HB PRO 29 HB1 PRO 29 18.369 -6.268 -3.714 244 1HG PRO 29 HG2 PRO 29 18.545 -3.325 -4.108 245 2HG PRO 29 HG1 PRO 29 17.150 -4.405 -4.268 246 1HD PRO 29 HD2 PRO 29 17.580 -2.808 -2.100 247 2HD PRO 29 HD1 PRO 29 16.674 -4.335 -2.036 248 H GLN 30 HN GLN 30 21.663 -5.933 -3.685 249 HA GLN 30 HA GLN 30 23.533 -3.975 -2.489 250 1HB GLN 30 HB2 GLN 30 23.756 -6.209 -4.532 251 2HB GLN 30 HB1 GLN 30 25.128 -5.218 -4.034 252 1HG GLN 30 HG2 GLN 30 24.886 -5.940 -1.729 253 2HG GLN 30 HG1 GLN 30 23.398 -6.805 -2.114 254 1HE2 GLN 30 HE21 GLN 30 23.648 -8.657 -3.743 255 2HE2 GLN 30 HE22 GLN 30 25.112 -9.514 -3.752 256 H LEU 31 HN LEU 31 22.735 -1.957 -3.318 257 HA LEU 31 HA LEU 31 23.170 -1.571 -6.262 258 1HB LEU 31 HB2 LEU 31 20.766 -1.730 -5.645 259 2HB LEU 31 HB1 LEU 31 20.985 -0.407 -4.501 260 HG LEU 31 HG LEU 31 22.010 0.273 -7.146 261 1HD1 LEU 31 HD11 LEU 31 20.206 -1.253 -7.878 262 2HD1 LEU 31 HD12 LEU 31 19.816 0.424 -8.261 263 3HD1 LEU 31 HD13 LEU 31 19.054 -0.365 -6.880 264 1HD2 LEU 31 HD21 LEU 31 19.997 1.415 -5.194 265 2HD2 LEU 31 HD22 LEU 31 20.369 2.195 -6.731 266 3HD2 LEU 31 HD23 LEU 31 21.633 1.986 -5.519 Start of MODEL 20 1 1H SER 1 HT1 SER 1 -20.478 4.584 0.966 2 2H SER 1 HT2 SER 1 -20.342 6.201 1.468 3 3H SER 1 HT3 SER 1 -19.346 5.607 0.226 4 HA SER 1 HA SER 1 -22.237 6.240 0.132 5 1HB SER 1 HB2 SER 1 -21.320 7.401 -1.953 6 2HB SER 1 HB1 SER 1 -20.736 8.028 -0.415 7 HG SER 1 HG SER 1 -19.250 7.287 -2.349 8 H GLY 2 HN GLY 2 -19.659 4.711 -1.872 9 1HA GLY 2 HA2 GLY 2 -21.198 2.376 -2.485 10 2HA GLY 2 HA1 GLY 2 -21.394 3.547 -3.789 11 H SER 3 HN SER 3 -20.007 3.158 -5.435 12 HA SER 3 HA SER 3 -17.748 1.428 -5.321 13 1HB SER 3 HB2 SER 3 -17.233 2.635 -7.540 14 2HB SER 3 HB1 SER 3 -18.804 1.852 -7.409 15 HG SER 3 HG SER 3 -19.265 3.861 -8.113 16 H TRP 4 HN TRP 4 -17.992 4.934 -4.905 17 HA TRP 4 HA TRP 4 -15.257 5.667 -5.037 18 1HB TRP 4 HB2 TRP 4 -17.424 7.061 -4.777 19 2HB TRP 4 HB1 TRP 4 -17.252 6.769 -3.046 20 HD1 TRP 4 HD1 TRP 4 -15.809 8.757 -5.906 21 HE1 TRP 4 HE1 TRP 4 -14.021 10.381 -5.007 22 HE3 TRP 4 HE3 TRP 4 -15.387 7.044 -1.112 23 HZ2 TRP 4 HZ2 TRP 4 -12.602 10.889 -2.578 24 HZ3 TRP 4 HZ3 TRP 4 -13.812 8.116 0.471 25 HH2 TRP 4 HH2 TRP 4 -12.420 10.034 -0.255 26 H LEU 5 HN LEU 5 -17.161 4.575 -2.203 27 HA LEU 5 HA LEU 5 -14.810 4.535 -0.446 28 1HB LEU 5 HB2 LEU 5 -17.526 4.775 -0.136 29 2HB LEU 5 HB1 LEU 5 -17.280 3.087 0.311 30 HG LEU 5 HG LEU 5 -15.518 5.259 1.440 31 1HD1 LEU 5 HD11 LEU 5 -18.164 4.283 2.561 32 2HD1 LEU 5 HD12 LEU 5 -17.847 5.899 1.931 33 3HD1 LEU 5 HD13 LEU 5 -17.031 5.347 3.393 34 1HD2 LEU 5 HD21 LEU 5 -15.560 3.503 3.351 35 2HD2 LEU 5 HD22 LEU 5 -14.656 3.104 1.891 36 3HD2 LEU 5 HD23 LEU 5 -16.260 2.419 2.149 37 H ARG 6 HN ARG 6 -16.706 2.171 -2.310 38 HA ARG 6 HA ARG 6 -15.653 -0.230 -1.167 39 1HB ARG 6 HB2 ARG 6 -17.629 0.079 -2.718 40 2HB ARG 6 HB1 ARG 6 -16.482 0.289 -4.040 41 1HG ARG 6 HG2 ARG 6 -15.810 -2.074 -2.508 42 2HG ARG 6 HG1 ARG 6 -17.492 -2.148 -3.034 43 1HD ARG 6 HD2 ARG 6 -16.576 -2.944 -4.985 44 2HD ARG 6 HD1 ARG 6 -16.272 -1.228 -5.316 45 HE ARG 6 HE ARG 6 -14.183 -2.400 -3.665 46 1HH1 ARG 6 HH21 ARG 6 -14.273 -0.439 -6.158 47 2HH1 ARG 6 HH22 ARG 6 -13.220 -1.309 -7.225 48 1HH2 ARG 6 HH11 ARG 6 -13.300 -4.231 -5.341 49 2HH2 ARG 6 HH12 ARG 6 -12.671 -3.466 -6.763 50 H ASP 7 HN ASP 7 -14.571 1.627 -4.044 51 HA ASP 7 HA ASP 7 -12.312 -0.076 -4.615 52 1HB ASP 7 HB2 ASP 7 -13.680 1.913 -5.882 53 2HB ASP 7 HB1 ASP 7 -12.233 2.789 -5.385 54 H ILE 8 HN ILE 8 -12.694 2.880 -2.658 55 HA ILE 8 HA ILE 8 -9.904 3.374 -2.208 56 HB ILE 8 HB ILE 8 -12.308 4.601 -1.679 57 1HG1 ILE 8 HG12 ILE 8 -10.083 5.603 -0.026 58 2HG1 ILE 8 HG11 ILE 8 -9.648 5.276 -1.704 59 1HG2 ILE 8 HG21 ILE 8 -12.618 3.194 0.360 60 2HG2 ILE 8 HG22 ILE 8 -12.500 4.914 0.730 61 3HG2 ILE 8 HG23 ILE 8 -11.117 3.854 1.008 62 1HD1 ILE 8 HD11 ILE 8 -11.649 7.227 -0.610 63 2HD1 ILE 8 HD12 ILE 8 -11.897 6.555 -2.221 64 3HD1 ILE 8 HD13 ILE 8 -10.430 7.465 -1.862 65 H TRP 9 HN TRP 9 -12.231 1.256 -0.547 66 HA TRP 9 HA TRP 9 -10.623 0.668 1.765 67 1HB TRP 9 HB2 TRP 9 -13.159 0.137 0.883 68 2HB TRP 9 HB1 TRP 9 -12.398 -1.439 0.669 69 HD1 TRP 9 HD1 TRP 9 -12.798 -2.882 2.712 70 HE1 TRP 9 HE1 TRP 9 -12.837 -2.513 5.263 71 HE3 TRP 9 HE3 TRP 9 -11.963 2.155 2.895 72 HZ2 TRP 9 HZ2 TRP 9 -12.557 -0.368 7.134 73 HZ3 TRP 9 HZ3 TRP 9 -11.857 3.333 5.070 74 HH2 TRP 9 HH2 TRP 9 -12.151 2.079 7.190 75 H ASP 10 HN ASP 10 -11.113 -1.225 -1.256 76 HA ASP 10 HA ASP 10 -9.172 -3.250 -0.710 77 1HB ASP 10 HB2 ASP 10 -10.949 -3.286 -2.469 78 2HB ASP 10 HB1 ASP 10 -10.051 -2.064 -3.368 79 H TRP 11 HN TRP 11 -8.869 -0.078 -2.328 80 HA TRP 11 HA TRP 11 -6.105 -0.355 -3.098 81 1HB TRP 11 HB2 TRP 11 -7.695 1.286 -4.039 82 2HB TRP 11 HB1 TRP 11 -7.817 2.077 -2.468 83 HD1 TRP 11 HD1 TRP 11 -5.378 1.505 -5.359 84 HE1 TRP 11 HE1 TRP 11 -3.494 3.259 -5.207 85 HE3 TRP 11 HE3 TRP 11 -6.531 3.652 -0.872 86 HZ2 TRP 11 HZ2 TRP 11 -2.597 5.304 -3.419 87 HZ3 TRP 11 HZ3 TRP 11 -5.148 5.499 0.032 88 HH2 TRP 11 HH2 TRP 11 -3.183 6.326 -1.234 89 H ILE 12 HN ILE 12 -7.704 0.918 -0.172 90 HA ILE 12 HA ILE 12 -5.387 1.963 1.144 91 HB ILE 12 HB ILE 12 -8.125 0.982 1.893 92 1HG1 ILE 12 HG12 ILE 12 -6.674 3.559 2.555 93 2HG1 ILE 12 HG11 ILE 12 -7.557 3.314 1.049 94 1HG2 ILE 12 HG21 ILE 12 -6.911 0.086 3.755 95 2HG2 ILE 12 HG22 ILE 12 -7.590 1.618 4.300 96 3HG2 ILE 12 HG23 ILE 12 -5.885 1.517 3.859 97 1HD1 ILE 12 HD11 ILE 12 -8.647 3.357 3.866 98 2HD1 ILE 12 HD12 ILE 12 -9.558 2.652 2.531 99 3HD1 ILE 12 HD13 ILE 12 -9.123 4.361 2.495 100 H CYS 13 HN CYS 13 -6.789 -1.311 1.031 101 HA CYS 13 HA CYS 13 -4.978 -2.513 2.944 102 1HB CYS 13 HB2 CYS 13 -7.260 -3.310 2.040 103 2HB CYS 13 HB1 CYS 13 -6.375 -3.862 0.617 104 HG CYS 13 HG CYS 13 -6.612 -5.606 2.830 105 H GLU 14 HN GLU 14 -4.914 -2.039 -0.585 106 HA GLU 14 HA GLU 14 -2.621 -3.658 -1.169 107 1HB GLU 14 HB2 GLU 14 -4.174 -1.424 -2.404 108 2HB GLU 14 HB1 GLU 14 -2.601 -1.803 -3.097 109 1HG GLU 14 HG2 GLU 14 -3.314 -4.198 -3.278 110 2HG GLU 14 HG1 GLU 14 -4.922 -3.715 -2.730 111 H VAL 15 HN VAL 15 -2.980 -0.201 -0.422 112 HA VAL 15 HA VAL 15 -0.227 0.551 -0.665 113 HB VAL 15 HB VAL 15 -2.506 1.618 1.041 114 1HG1 VAL 15 HG11 VAL 15 -0.606 2.620 1.989 115 2HG1 VAL 15 HG12 VAL 15 -1.070 3.784 0.749 116 3HG1 VAL 15 HG13 VAL 15 0.257 2.662 0.451 117 1HG2 VAL 15 HG21 VAL 15 -2.237 1.524 -1.724 118 2HG2 VAL 15 HG22 VAL 15 -1.640 3.134 -1.317 119 3HG2 VAL 15 HG23 VAL 15 -3.264 2.647 -0.831 120 H LEU 16 HN LEU 16 -2.097 -0.790 2.052 121 HA LEU 16 HA LEU 16 -0.156 -0.450 4.124 122 1HB LEU 16 HB2 LEU 16 -2.669 -1.187 4.105 123 2HB LEU 16 HB1 LEU 16 -2.019 -2.812 3.891 124 HG LEU 16 HG LEU 16 -0.512 -2.269 5.923 125 1HD1 LEU 16 HD11 LEU 16 -2.524 -0.020 5.988 126 2HD1 LEU 16 HD12 LEU 16 -0.773 0.066 6.185 127 3HD1 LEU 16 HD13 LEU 16 -1.773 -0.614 7.468 128 1HD2 LEU 16 HD21 LEU 16 -3.520 -2.508 6.264 129 2HD2 LEU 16 HD22 LEU 16 -2.321 -2.907 7.492 130 3HD2 LEU 16 HD23 LEU 16 -2.404 -3.848 6.003 131 H SER 17 HN SER 17 -0.538 -2.954 1.634 132 HA SER 17 HA SER 17 1.682 -4.565 2.760 133 1HB SER 17 HB2 SER 17 -0.649 -5.027 1.244 134 2HB SER 17 HB1 SER 17 0.689 -5.342 0.141 135 HG SER 17 HG SER 17 0.954 -7.137 1.188 136 H ASP 18 HN ASP 18 0.982 -2.477 -0.044 137 HA ASP 18 HA ASP 18 3.458 -2.983 -1.444 138 1HB ASP 18 HB2 ASP 18 1.326 -2.028 -2.380 139 2HB ASP 18 HB1 ASP 18 1.665 -0.536 -1.502 140 H PHE 19 HN PHE 19 2.524 -0.695 1.113 141 HA PHE 19 HA PHE 19 4.587 1.204 1.010 142 1HB PHE 19 HB2 PHE 19 2.586 0.412 2.771 143 2HB PHE 19 HB1 PHE 19 4.058 0.152 3.702 144 HD1 PHE 19 HD1 PHE 19 1.887 2.639 2.119 145 HD2 PHE 19 HD2 PHE 19 5.618 2.017 4.153 146 HE1 PHE 19 HE1 PHE 19 2.079 5.080 2.515 147 HE2 PHE 19 HE2 PHE 19 5.810 4.457 4.549 148 HZ PHE 19 HZ PHE 19 4.040 5.988 3.731 149 H LYS 20 HN LYS 20 4.676 -2.042 2.492 150 HA LYS 20 HA LYS 20 7.353 -1.949 3.501 151 1HB LYS 20 HB2 LYS 20 5.560 -3.604 4.059 152 2HB LYS 20 HB1 LYS 20 5.734 -4.295 2.445 153 1HG LYS 20 HG2 LYS 20 8.239 -4.569 3.051 154 2HG LYS 20 HG1 LYS 20 7.719 -4.315 4.717 155 1HD LYS 20 HD2 LYS 20 5.881 -6.162 3.713 156 2HD LYS 20 HD1 LYS 20 7.424 -6.678 3.032 157 1HE LYS 20 HE2 LYS 20 7.415 -7.778 5.116 158 2HE LYS 20 HE1 LYS 20 8.310 -6.293 5.495 159 1HZ LYS 20 HZ1 LYS 20 6.245 -5.248 6.174 160 2HZ LYS 20 HZ2 LYS 20 6.492 -6.669 7.071 161 3HZ LYS 20 HZ3 LYS 20 5.369 -6.652 5.796 162 H THR 21 HN THR 21 6.062 -3.117 0.363 163 HA THR 21 HA THR 21 8.652 -3.878 -0.702 164 HB THR 21 HB THR 21 6.238 -3.101 -2.343 165 HG1 THR 21 HG1 THR 21 5.091 -4.490 -1.291 166 1HG2 THR 21 HG21 THR 21 8.569 -4.104 -3.137 167 2HG2 THR 21 HG22 THR 21 7.056 -4.621 -3.880 168 3HG2 THR 21 HG23 THR 21 7.818 -5.621 -2.644 169 H TRP 22 HN TRP 22 6.609 -0.964 -0.983 170 HA TRP 22 HA TRP 22 8.086 0.479 -2.929 171 1HB TRP 22 HB2 TRP 22 5.846 0.913 -1.601 172 2HB TRP 22 HB1 TRP 22 6.898 1.776 -0.485 173 HD1 TRP 22 HD1 TRP 22 5.688 1.845 -4.119 174 HE1 TRP 22 HE1 TRP 22 6.126 4.196 -5.085 175 HE3 TRP 22 HE3 TRP 22 8.322 3.907 -0.260 176 HZ2 TRP 22 HZ2 TRP 22 7.421 6.630 -4.320 177 HZ3 TRP 22 HZ3 TRP 22 9.144 6.242 -0.405 178 HH2 TRP 22 HH2 TRP 22 8.697 7.604 -2.428 179 H LEU 23 HN LEU 23 8.450 0.419 0.622 180 HA LEU 23 HA LEU 23 10.711 2.203 0.748 181 1HB LEU 23 HB2 LEU 23 9.203 0.348 2.492 182 2HB LEU 23 HB1 LEU 23 10.876 0.618 2.980 183 HG LEU 23 HG LEU 23 9.515 3.091 2.187 184 1HD1 LEU 23 HD11 LEU 23 7.525 2.512 3.164 185 2HD1 LEU 23 HD12 LEU 23 8.392 2.938 4.639 186 3HD1 LEU 23 HD13 LEU 23 8.255 1.247 4.152 187 1HD2 LEU 23 HD21 LEU 23 10.642 3.941 4.107 188 2HD2 LEU 23 HD22 LEU 23 11.734 2.729 3.437 189 3HD2 LEU 23 HD23 LEU 23 10.747 2.344 4.846 190 H LYS 24 HN LYS 24 10.465 -1.370 0.557 191 HA LYS 24 HA LYS 24 13.312 -1.846 0.828 192 1HB LYS 24 HB2 LYS 24 11.334 -3.429 1.211 193 2HB LYS 24 HB1 LYS 24 11.243 -3.584 -0.544 194 1HG LYS 24 HG2 LYS 24 12.621 -5.388 0.064 195 2HG LYS 24 HG1 LYS 24 13.785 -4.144 -0.393 196 1HD LYS 24 HD2 LYS 24 13.461 -3.535 2.229 197 2HD LYS 24 HD1 LYS 24 13.177 -5.274 2.285 198 1HE LYS 24 HE2 LYS 24 15.558 -4.173 0.784 199 2HE LYS 24 HE1 LYS 24 15.637 -4.445 2.536 200 1HZ LYS 24 HZ1 LYS 24 14.775 -6.461 0.524 201 2HZ LYS 24 HZ2 LYS 24 14.886 -6.710 2.202 202 3HZ LYS 24 HZ3 LYS 24 16.290 -6.433 1.287 203 H ALA 25 HN ALA 25 11.112 -1.631 -1.989 204 HA ALA 25 HA ALA 25 13.054 -2.186 -4.019 205 1HB ALA 25 HB1 ALA 25 10.600 -2.223 -4.309 206 2HB ALA 25 HB2 ALA 25 11.347 -1.138 -5.481 207 3HB ALA 25 HB3 ALA 25 10.542 -0.479 -4.057 208 H LYS 26 HN LYS 26 12.041 0.880 -2.486 209 HA LYS 26 HA LYS 26 13.533 2.658 -4.168 210 1HB LYS 26 HB2 LYS 26 11.700 3.067 -2.371 211 2HB LYS 26 HB1 LYS 26 13.032 3.051 -1.214 212 1HG LYS 26 HG2 LYS 26 14.164 4.791 -2.710 213 2HG LYS 26 HG1 LYS 26 12.613 4.942 -3.538 214 1HD LYS 26 HD2 LYS 26 11.524 5.498 -1.386 215 2HD LYS 26 HD1 LYS 26 13.083 5.369 -0.571 216 1HE LYS 26 HE2 LYS 26 13.004 7.671 -0.975 217 2HE LYS 26 HE1 LYS 26 13.819 7.118 -2.451 218 1HZ LYS 26 HZ1 LYS 26 11.676 6.938 -3.544 219 2HZ LYS 26 HZ2 LYS 26 11.898 8.520 -2.966 220 3HZ LYS 26 HZ3 LYS 26 10.880 7.445 -2.134 221 H LEU 27 HN LEU 27 14.426 0.839 -1.242 222 HA LEU 27 HA LEU 27 17.068 2.036 -0.974 223 1HB LEU 27 HB2 LEU 27 15.518 0.863 0.755 224 2HB LEU 27 HB1 LEU 27 16.159 -0.641 0.095 225 HG LEU 27 HG LEU 27 18.148 1.459 0.804 226 1HD1 LEU 27 HD11 LEU 27 18.115 0.809 3.180 227 2HD1 LEU 27 HD12 LEU 27 16.708 -0.214 2.886 228 3HD1 LEU 27 HD13 LEU 27 16.577 1.537 2.713 229 1HD2 LEU 27 HD21 LEU 27 19.556 -0.337 0.885 230 2HD2 LEU 27 HD22 LEU 27 18.273 -1.150 -0.011 231 3HD2 LEU 27 HD23 LEU 27 18.382 -1.338 1.739 232 H MET 28 HN MET 28 15.743 -0.826 -2.608 233 HA MET 28 HA MET 28 18.406 -1.913 -3.251 234 1HB MET 28 HB2 MET 28 15.538 -2.623 -3.915 235 2HB MET 28 HB1 MET 28 16.906 -3.536 -4.552 236 1HG MET 28 HG2 MET 28 17.692 -3.810 -2.146 237 2HG MET 28 HG1 MET 28 16.128 -3.163 -1.651 238 1HE MET 28 HE1 MET 28 14.101 -4.814 -4.128 239 2HE MET 28 HE2 MET 28 14.094 -3.772 -2.708 240 3HE MET 28 HE3 MET 28 13.515 -5.431 -2.577 241 HA PRO 29 HA PRO 29 18.472 0.695 -6.917 242 1HB PRO 29 HB2 PRO 29 21.048 0.113 -7.625 243 2HB PRO 29 HB1 PRO 29 20.634 1.273 -6.351 244 1HG PRO 29 HG2 PRO 29 21.587 -1.527 -6.125 245 2HG PRO 29 HG1 PRO 29 21.926 -0.131 -5.091 246 1HD PRO 29 HD2 PRO 29 20.134 -2.134 -4.483 247 2HD PRO 29 HD1 PRO 29 20.095 -0.497 -3.795 248 H GLN 30 HN GLN 30 19.479 0.135 -9.262 249 HA GLN 30 HA GLN 30 19.152 -1.156 -11.213 250 1HB GLN 30 HB2 GLN 30 20.103 -3.142 -9.129 251 2HB GLN 30 HB1 GLN 30 19.936 -3.566 -10.831 252 1HG GLN 30 HG2 GLN 30 21.336 -1.195 -10.963 253 2HG GLN 30 HG1 GLN 30 21.991 -1.932 -9.502 254 1HE2 GLN 30 HE21 GLN 30 21.873 -2.172 -12.997 255 2HE2 GLN 30 HE22 GLN 30 22.903 -3.515 -13.132 256 H LEU 31 HN LEU 31 16.721 -0.612 -9.948 257 HA LEU 31 HA LEU 31 14.482 -1.328 -9.865 258 1HB LEU 31 HB2 LEU 31 15.432 -2.056 -12.196 259 2HB LEU 31 HB1 LEU 31 15.364 -3.686 -11.527 260 HG LEU 31 HG LEU 31 12.908 -2.853 -10.822 261 1HD1 LEU 31 HD11 LEU 31 11.954 -1.511 -12.674 262 2HD1 LEU 31 HD12 LEU 31 13.565 -1.342 -13.372 263 3HD1 LEU 31 HD13 LEU 31 13.200 -0.615 -11.805 264 1HD2 LEU 31 HD21 LEU 31 12.089 -3.977 -12.874 265 2HD2 LEU 31 HD22 LEU 31 13.438 -4.857 -12.155 266 3HD2 LEU 31 HD23 LEU 31 13.701 -3.849 -13.579 Start of MODEL 21 1 1H SER 1 HT1 SER 1 -25.893 7.953 -7.541 2 2H SER 1 HT2 SER 1 -26.770 6.815 -8.450 3 3H SER 1 HT3 SER 1 -25.080 6.903 -8.597 4 HA SER 1 HA SER 1 -26.652 5.933 -6.266 5 1HB SER 1 HB2 SER 1 -24.500 4.691 -8.011 6 2HB SER 1 HB1 SER 1 -25.456 3.867 -6.783 7 HG SER 1 HG SER 1 -26.229 3.615 -8.976 8 H GLY 2 HN GLY 2 -23.273 6.408 -7.426 9 1HA GLY 2 HA2 GLY 2 -21.546 7.544 -6.197 10 2HA GLY 2 HA1 GLY 2 -22.548 7.449 -4.747 11 H SER 3 HN SER 3 -20.636 5.428 -6.978 12 HA SER 3 HA SER 3 -20.297 3.428 -4.769 13 1HB SER 3 HB2 SER 3 -19.576 1.995 -6.792 14 2HB SER 3 HB1 SER 3 -21.277 2.439 -6.700 15 HG SER 3 HG SER 3 -19.308 3.224 -8.479 16 H TRP 4 HN TRP 4 -18.726 5.658 -4.432 17 HA TRP 4 HA TRP 4 -16.040 4.928 -5.549 18 1HB TRP 4 HB2 TRP 4 -17.538 7.345 -5.312 19 2HB TRP 4 HB1 TRP 4 -16.138 7.493 -4.252 20 HD1 TRP 4 HD1 TRP 4 -17.150 7.495 -7.854 21 HE1 TRP 4 HE1 TRP 4 -15.069 7.798 -9.349 22 HE3 TRP 4 HE3 TRP 4 -13.467 6.857 -4.377 23 HZ2 TRP 4 HZ2 TRP 4 -12.220 7.770 -9.099 24 HZ3 TRP 4 HZ3 TRP 4 -11.082 7.001 -5.031 25 HH2 TRP 4 HH2 TRP 4 -10.453 7.456 -7.385 26 H LEU 5 HN LEU 5 -17.181 3.513 -3.271 27 HA LEU 5 HA LEU 5 -15.371 4.462 -1.069 28 1HB LEU 5 HB2 LEU 5 -18.065 4.375 -1.006 29 2HB LEU 5 HB1 LEU 5 -17.725 2.712 -0.522 30 HG LEU 5 HG LEU 5 -16.161 4.894 0.797 31 1HD1 LEU 5 HD11 LEU 5 -18.002 5.105 2.500 32 2HD1 LEU 5 HD12 LEU 5 -19.060 4.232 1.391 33 3HD1 LEU 5 HD13 LEU 5 -18.403 5.802 0.929 34 1HD2 LEU 5 HD21 LEU 5 -17.455 2.375 1.885 35 2HD2 LEU 5 HD22 LEU 5 -16.197 3.344 2.652 36 3HD2 LEU 5 HD23 LEU 5 -15.831 2.415 1.198 37 H ARG 6 HN ARG 6 -16.883 1.553 -2.529 38 HA ARG 6 HA ARG 6 -15.357 -0.419 -1.143 39 1HB ARG 6 HB2 ARG 6 -17.447 -0.531 -2.716 40 2HB ARG 6 HB1 ARG 6 -16.258 -0.677 -4.011 41 1HG ARG 6 HG2 ARG 6 -15.769 -2.432 -1.681 42 2HG ARG 6 HG1 ARG 6 -17.238 -2.797 -2.589 43 1HD ARG 6 HD2 ARG 6 -15.984 -3.041 -4.654 44 2HD ARG 6 HD1 ARG 6 -14.499 -2.467 -3.869 45 HE ARG 6 HE ARG 6 -15.903 -4.978 -3.024 46 1HH1 ARG 6 HH21 ARG 6 -13.565 -3.444 -1.564 47 2HH1 ARG 6 HH22 ARG 6 -12.245 -4.493 -1.964 48 1HH2 ARG 6 HH11 ARG 6 -13.995 -6.190 -4.436 49 2HH2 ARG 6 HH12 ARG 6 -12.489 -6.049 -3.590 50 H ASP 7 HN ASP 7 -14.674 1.355 -4.165 51 HA ASP 7 HA ASP 7 -12.287 -0.111 -4.857 52 1HB ASP 7 HB2 ASP 7 -11.979 1.734 -6.446 53 2HB ASP 7 HB1 ASP 7 -13.679 1.273 -6.398 54 H ILE 8 HN ILE 8 -12.886 2.649 -2.718 55 HA ILE 8 HA ILE 8 -10.068 3.399 -2.475 56 HB ILE 8 HB ILE 8 -12.637 4.055 -1.009 57 1HG1 ILE 8 HG12 ILE 8 -10.763 5.692 -2.753 58 2HG1 ILE 8 HG11 ILE 8 -12.303 5.010 -3.274 59 1HG2 ILE 8 HG21 ILE 8 -9.811 4.984 -0.427 60 2HG2 ILE 8 HG22 ILE 8 -10.945 4.224 0.690 61 3HG2 ILE 8 HG23 ILE 8 -11.240 5.864 0.115 62 1HD1 ILE 8 HD11 ILE 8 -13.386 6.319 -1.374 63 2HD1 ILE 8 HD12 ILE 8 -12.745 7.294 -2.696 64 3HD1 ILE 8 HD13 ILE 8 -11.845 7.155 -1.187 65 H TRP 9 HN TRP 9 -12.386 1.545 -0.466 66 HA TRP 9 HA TRP 9 -10.763 1.068 1.799 67 1HB TRP 9 HB2 TRP 9 -13.127 0.528 1.698 68 2HB TRP 9 HB1 TRP 9 -12.853 -0.627 0.394 69 HD1 TRP 9 HD1 TRP 9 -12.539 -3.043 1.106 70 HE1 TRP 9 HE1 TRP 9 -11.960 -4.261 3.302 71 HE3 TRP 9 HE3 TRP 9 -11.627 0.972 4.130 72 HZ2 TRP 9 HZ2 TRP 9 -11.209 -3.619 5.987 73 HZ3 TRP 9 HZ3 TRP 9 -10.982 0.639 6.500 74 HH2 TRP 9 HH2 TRP 9 -10.772 -1.648 7.431 75 H ASP 10 HN ASP 10 -11.140 -1.078 -1.067 76 HA ASP 10 HA ASP 10 -9.169 -2.996 -0.321 77 1HB ASP 10 HB2 ASP 10 -10.985 -2.670 -2.330 78 2HB ASP 10 HB1 ASP 10 -9.487 -2.342 -3.200 79 H TRP 11 HN TRP 11 -8.868 0.048 -2.171 80 HA TRP 11 HA TRP 11 -6.134 -0.214 -2.956 81 1HB TRP 11 HB2 TRP 11 -7.651 1.464 -3.871 82 2HB TRP 11 HB1 TRP 11 -7.866 2.189 -2.278 83 HD1 TRP 11 HD1 TRP 11 -5.118 1.618 -4.921 84 HE1 TRP 11 HE1 TRP 11 -3.355 3.481 -4.667 85 HE3 TRP 11 HE3 TRP 11 -6.933 3.995 -0.782 86 HZ2 TRP 11 HZ2 TRP 11 -2.789 5.690 -2.939 87 HZ3 TRP 11 HZ3 TRP 11 -5.764 5.973 0.146 88 HH2 TRP 11 HH2 TRP 11 -3.696 6.823 -0.927 89 H ILE 12 HN ILE 12 -7.598 1.164 0.006 90 HA ILE 12 HA ILE 12 -5.213 2.108 1.256 91 HB ILE 12 HB ILE 12 -7.838 0.993 2.304 92 1HG1 ILE 12 HG12 ILE 12 -6.914 3.858 2.384 93 2HG1 ILE 12 HG11 ILE 12 -7.599 3.194 0.900 94 1HG2 ILE 12 HG21 ILE 12 -7.079 2.425 4.378 95 2HG2 ILE 12 HG22 ILE 12 -5.457 2.119 3.756 96 3HG2 ILE 12 HG23 ILE 12 -6.497 0.768 4.206 97 1HD1 ILE 12 HD11 ILE 12 -9.436 4.146 2.098 98 2HD1 ILE 12 HD12 ILE 12 -8.920 3.404 3.613 99 3HD1 ILE 12 HD13 ILE 12 -9.567 2.402 2.314 100 H CYS 13 HN CYS 13 -6.707 -1.123 1.179 101 HA CYS 13 HA CYS 13 -4.899 -2.372 3.064 102 1HB CYS 13 HB2 CYS 13 -7.234 -3.080 2.167 103 2HB CYS 13 HB1 CYS 13 -6.351 -3.725 0.783 104 HG CYS 13 HG CYS 13 -6.560 -5.089 3.435 105 H GLU 14 HN GLU 14 -4.930 -2.026 -0.496 106 HA GLU 14 HA GLU 14 -2.653 -3.691 -1.036 107 1HB GLU 14 HB2 GLU 14 -4.466 -1.870 -2.389 108 2HB GLU 14 HB1 GLU 14 -2.819 -1.651 -2.972 109 1HG GLU 14 HG2 GLU 14 -3.514 -3.384 -4.352 110 2HG GLU 14 HG1 GLU 14 -2.827 -4.304 -3.013 111 H VAL 15 HN VAL 15 -2.982 -0.215 -0.375 112 HA VAL 15 HA VAL 15 -0.242 0.527 -0.821 113 HB VAL 15 HB VAL 15 -2.447 1.647 0.946 114 1HG1 VAL 15 HG11 VAL 15 -0.970 3.793 0.589 115 2HG1 VAL 15 HG12 VAL 15 0.330 2.630 0.334 116 3HG1 VAL 15 HG13 VAL 15 -0.545 2.653 1.865 117 1HG2 VAL 15 HG21 VAL 15 -1.551 3.081 -1.474 118 2HG2 VAL 15 HG22 VAL 15 -3.187 2.746 -0.906 119 3HG2 VAL 15 HG23 VAL 15 -2.293 1.514 -1.795 120 H LEU 16 HN LEU 16 -1.962 -0.712 2.043 121 HA LEU 16 HA LEU 16 0.141 -0.358 3.962 122 1HB LEU 16 HB2 LEU 16 -2.314 -0.898 4.331 123 2HB LEU 16 HB1 LEU 16 -1.957 -2.550 3.828 124 HG LEU 16 HG LEU 16 -0.012 -1.749 5.784 125 1HD1 LEU 16 HD11 LEU 16 -1.484 -1.367 7.710 126 2HD1 LEU 16 HD12 LEU 16 -2.900 -1.434 6.662 127 3HD1 LEU 16 HD13 LEU 16 -1.742 -0.114 6.496 128 1HD2 LEU 16 HD21 LEU 16 -0.875 -4.059 5.159 129 2HD2 LEU 16 HD22 LEU 16 -2.330 -3.681 6.082 130 3HD2 LEU 16 HD23 LEU 16 -0.765 -3.750 6.891 131 H SER 17 HN SER 17 -0.660 -3.051 1.753 132 HA SER 17 HA SER 17 1.525 -4.760 2.670 133 1HB SER 17 HB2 SER 17 -0.687 -5.437 1.587 134 2HB SER 17 HB1 SER 17 -0.032 -4.842 0.065 135 HG SER 17 HG SER 17 1.678 -6.338 0.308 136 H ASP 18 HN ASP 18 0.983 -2.545 -0.075 137 HA ASP 18 HA ASP 18 3.468 -3.087 -1.435 138 1HB ASP 18 HB2 ASP 18 1.286 -1.948 -2.232 139 2HB ASP 18 HB1 ASP 18 1.926 -0.487 -1.477 140 H PHE 19 HN PHE 19 2.592 -0.906 1.220 141 HA PHE 19 HA PHE 19 4.690 0.949 1.236 142 1HB PHE 19 HB2 PHE 19 2.696 -0.028 2.970 143 2HB PHE 19 HB1 PHE 19 4.200 -0.187 3.872 144 HD1 PHE 19 HD1 PHE 19 5.326 1.717 4.745 145 HD2 PHE 19 HD2 PHE 19 2.102 2.220 1.952 146 HE1 PHE 19 HE1 PHE 19 5.324 4.158 5.185 147 HE2 PHE 19 HE2 PHE 19 2.101 4.659 2.391 148 HZ PHE 19 HZ PHE 19 3.712 5.629 4.008 149 H LYS 20 HN LYS 20 4.747 -2.437 2.360 150 HA LYS 20 HA LYS 20 7.419 -2.407 3.435 151 1HB LYS 20 HB2 LYS 20 5.600 -4.079 3.876 152 2HB LYS 20 HB1 LYS 20 5.819 -4.693 2.237 153 1HG LYS 20 HG2 LYS 20 7.555 -5.959 2.907 154 2HG LYS 20 HG1 LYS 20 8.386 -4.531 3.525 155 1HD LYS 20 HD2 LYS 20 8.140 -5.689 5.505 156 2HD LYS 20 HD1 LYS 20 6.606 -4.819 5.502 157 1HE LYS 20 HE2 LYS 20 5.692 -6.883 4.188 158 2HE LYS 20 HE1 LYS 20 7.128 -7.712 4.820 159 1HZ LYS 20 HZ1 LYS 20 6.520 -6.892 7.051 160 2HZ LYS 20 HZ2 LYS 20 5.343 -7.929 6.400 161 3HZ LYS 20 HZ3 LYS 20 5.084 -6.250 6.412 162 H THR 21 HN THR 21 6.147 -3.414 0.228 163 HA THR 21 HA THR 21 8.795 -4.037 -0.828 164 HB THR 21 HB THR 21 7.391 -4.061 -3.003 165 HG1 THR 21 HG1 THR 21 5.168 -3.956 -2.669 166 1HG2 THR 21 HG21 THR 21 6.089 -6.096 -2.186 167 2HG2 THR 21 HG22 THR 21 6.726 -5.741 -0.580 168 3HG2 THR 21 HG23 THR 21 7.829 -6.131 -1.900 169 H TRP 22 HN TRP 22 6.528 -1.299 -1.170 170 HA TRP 22 HA TRP 22 7.907 0.261 -3.082 171 1HB TRP 22 HB2 TRP 22 5.631 0.564 -1.903 172 2HB TRP 22 HB1 TRP 22 6.535 1.336 -0.607 173 HD1 TRP 22 HD1 TRP 22 5.533 1.800 -4.259 174 HE1 TRP 22 HE1 TRP 22 5.971 4.252 -4.934 175 HE3 TRP 22 HE3 TRP 22 7.966 3.443 -0.083 176 HZ2 TRP 22 HZ2 TRP 22 7.192 6.598 -3.841 177 HZ3 TRP 22 HZ3 TRP 22 8.754 5.786 0.076 178 HH2 TRP 22 HH2 TRP 22 8.370 7.365 -1.796 179 H LEU 23 HN LEU 23 8.170 0.461 0.487 180 HA LEU 23 HA LEU 23 10.393 2.298 0.494 181 1HB LEU 23 HB2 LEU 23 8.939 0.534 2.414 182 2HB LEU 23 HB1 LEU 23 10.534 1.102 2.905 183 HG LEU 23 HG LEU 23 9.531 3.423 1.977 184 1HD1 LEU 23 HD11 LEU 23 7.350 2.187 1.462 185 2HD1 LEU 23 HD12 LEU 23 7.198 3.655 2.426 186 3HD1 LEU 23 HD13 LEU 23 7.118 2.076 3.207 187 1HD2 LEU 23 HD21 LEU 23 10.475 3.055 4.219 188 2HD2 LEU 23 HD22 LEU 23 8.997 2.231 4.719 189 3HD2 LEU 23 HD23 LEU 23 8.961 3.952 4.336 190 H LYS 24 HN LYS 24 10.196 -1.252 0.389 191 HA LYS 24 HA LYS 24 12.978 -1.749 1.008 192 1HB LYS 24 HB2 LYS 24 11.218 -3.440 1.217 193 2HB LYS 24 HB1 LYS 24 10.869 -3.326 -0.506 194 1HG LYS 24 HG2 LYS 24 12.252 -5.195 -0.462 195 2HG LYS 24 HG1 LYS 24 13.428 -3.919 -0.760 196 1HD LYS 24 HD2 LYS 24 12.764 -4.610 2.079 197 2HD LYS 24 HD1 LYS 24 13.810 -5.703 1.176 198 1HE LYS 24 HE2 LYS 24 14.306 -2.714 1.469 199 2HE LYS 24 HE1 LYS 24 15.120 -3.970 2.417 200 1HZ LYS 24 HZ1 LYS 24 16.524 -3.631 0.596 201 2HZ LYS 24 HZ2 LYS 24 15.238 -3.511 -0.506 202 3HZ LYS 24 HZ3 LYS 24 15.646 -5.018 0.168 203 H ALA 25 HN ALA 25 11.193 -1.081 -1.986 204 HA ALA 25 HA ALA 25 13.389 -1.703 -3.789 205 1HB ALA 25 HB1 ALA 25 10.887 -1.648 -4.263 206 2HB ALA 25 HB2 ALA 25 11.885 -0.803 -5.446 207 3HB ALA 25 HB3 ALA 25 11.000 0.112 -4.226 208 H LYS 26 HN LYS 26 12.042 1.362 -2.482 209 HA LYS 26 HA LYS 26 13.988 3.055 -3.796 210 1HB LYS 26 HB2 LYS 26 12.885 4.782 -2.622 211 2HB LYS 26 HB1 LYS 26 11.634 3.555 -2.797 212 1HG LYS 26 HG2 LYS 26 12.111 2.735 -0.520 213 2HG LYS 26 HG1 LYS 26 13.375 3.952 -0.341 214 1HD LYS 26 HD2 LYS 26 10.802 5.071 -1.211 215 2HD LYS 26 HD1 LYS 26 10.724 4.294 0.369 216 1HE LYS 26 HE2 LYS 26 11.435 6.410 1.023 217 2HE LYS 26 HE1 LYS 26 13.016 5.665 0.718 218 1HZ LYS 26 HZ1 LYS 26 11.427 7.083 -1.357 219 2HZ LYS 26 HZ2 LYS 26 13.019 6.507 -1.500 220 3HZ LYS 26 HZ3 LYS 26 12.675 7.811 -0.470 221 H LEU 27 HN LEU 27 13.959 1.287 -0.744 222 HA LEU 27 HA LEU 27 16.576 2.535 0.019 223 1HB LEU 27 HB2 LEU 27 14.380 2.444 1.473 224 2HB LEU 27 HB1 LEU 27 14.879 0.783 1.784 225 HG LEU 27 HG LEU 27 17.232 2.169 2.153 226 1HD1 LEU 27 HD11 LEU 27 14.894 3.881 3.011 227 2HD1 LEU 27 HD12 LEU 27 16.296 4.355 2.053 228 3HD1 LEU 27 HD13 LEU 27 16.479 4.013 3.773 229 1HD2 LEU 27 HD21 LEU 27 15.088 1.488 4.193 230 2HD2 LEU 27 HD22 LEU 27 16.776 1.821 4.579 231 3HD2 LEU 27 HD23 LEU 27 16.355 0.406 3.615 232 H MET 28 HN MET 28 17.086 0.876 -1.942 233 HA MET 28 HA MET 28 17.760 -1.785 -0.727 234 1HB MET 28 HB2 MET 28 16.089 -1.481 -2.716 235 2HB MET 28 HB1 MET 28 17.540 -1.198 -3.677 236 1HG MET 28 HG2 MET 28 18.095 -3.389 -3.665 237 2HG MET 28 HG1 MET 28 17.798 -3.533 -1.932 238 1HE MET 28 HE1 MET 28 15.949 -3.175 -5.443 239 2HE MET 28 HE2 MET 28 15.243 -4.789 -5.405 240 3HE MET 28 HE3 MET 28 16.986 -4.593 -5.231 241 HA PRO 29 HA PRO 29 21.895 -0.144 -1.362 242 1HB PRO 29 HB2 PRO 29 23.204 -2.191 -0.107 243 2HB PRO 29 HB1 PRO 29 22.409 -0.871 0.767 244 1HG PRO 29 HG2 PRO 29 21.486 -3.653 0.293 245 2HG PRO 29 HG1 PRO 29 21.272 -2.618 1.713 246 1HD PRO 29 HD2 PRO 29 19.325 -3.090 -0.165 247 2HD PRO 29 HD1 PRO 29 19.383 -1.653 0.880 248 H GLN 30 HN GLN 30 24.039 -1.403 -2.105 249 HA GLN 30 HA GLN 30 23.276 -3.333 -4.279 250 1HB GLN 30 HB2 GLN 30 23.875 -0.841 -4.798 251 2HB GLN 30 HB1 GLN 30 25.532 -1.335 -4.445 252 1HG GLN 30 HG2 GLN 30 24.542 -3.347 -6.126 253 2HG GLN 30 HG1 GLN 30 23.930 -1.847 -6.821 254 1HE2 GLN 30 HE21 GLN 30 27.030 -3.068 -5.396 255 2HE2 GLN 30 HE22 GLN 30 28.018 -2.298 -6.543 256 H LEU 31 HN LEU 31 24.190 -4.078 -1.626 257 HA LEU 31 HA LEU 31 25.805 -5.426 -0.565 258 1HB LEU 31 HB2 LEU 31 26.107 -6.009 -3.520 259 2HB LEU 31 HB1 LEU 31 27.032 -6.895 -2.309 260 HG LEU 31 HG LEU 31 24.025 -6.630 -2.143 261 1HD1 LEU 31 HD11 LEU 31 25.631 -8.859 -3.434 262 2HD1 LEU 31 HD12 LEU 31 24.627 -7.695 -4.298 263 3HD1 LEU 31 HD13 LEU 31 23.884 -8.851 -3.193 264 1HD2 LEU 31 HD21 LEU 31 25.188 -7.305 -0.091 265 2HD2 LEU 31 HD22 LEU 31 26.046 -8.570 -0.971 266 3HD2 LEU 31 HD23 LEU 31 24.301 -8.679 -0.752 Start of MODEL 22 1 1H SER 1 HT1 SER 1 -21.694 13.065 -2.117 2 2H SER 1 HT2 SER 1 -22.984 12.238 -2.852 3 3H SER 1 HT3 SER 1 -21.382 11.754 -3.146 4 HA SER 1 HA SER 1 -21.178 11.229 -0.713 5 1HB SER 1 HB2 SER 1 -23.450 11.028 0.397 6 2HB SER 1 HB1 SER 1 -22.958 12.680 0.038 7 HG SER 1 HG SER 1 -25.176 11.886 -0.604 8 H GLY 2 HN GLY 2 -22.088 9.025 0.079 9 1HA GLY 2 HA2 GLY 2 -23.571 7.102 -0.851 10 2HA GLY 2 HA1 GLY 2 -22.609 7.313 -2.314 11 H SER 3 HN SER 3 -22.075 4.969 -1.841 12 HA SER 3 HA SER 3 -20.260 4.461 0.429 13 1HB SER 3 HB2 SER 3 -22.076 2.963 -0.868 14 2HB SER 3 HB1 SER 3 -20.660 2.537 -1.824 15 HG SER 3 HG SER 3 -21.154 1.275 0.175 16 H TRP 4 HN TRP 4 -18.512 5.939 -0.168 17 HA TRP 4 HA TRP 4 -16.982 5.193 -2.629 18 1HB TRP 4 HB2 TRP 4 -17.859 7.592 -1.857 19 2HB TRP 4 HB1 TRP 4 -16.370 7.571 -0.911 20 HD1 TRP 4 HD1 TRP 4 -17.004 6.209 -4.474 21 HE1 TRP 4 HE1 TRP 4 -15.296 7.294 -6.063 22 HE3 TRP 4 HE3 TRP 4 -14.667 9.382 -1.225 23 HZ2 TRP 4 HZ2 TRP 4 -13.211 9.253 -5.974 24 HZ3 TRP 4 HZ3 TRP 4 -12.826 10.845 -2.004 25 HH2 TRP 4 HH2 TRP 4 -12.095 10.785 -4.372 26 H LEU 5 HN LEU 5 -16.580 5.781 0.880 27 HA LEU 5 HA LEU 5 -13.796 5.277 1.094 28 1HB LEU 5 HB2 LEU 5 -15.469 6.180 2.803 29 2HB LEU 5 HB1 LEU 5 -15.925 4.503 3.104 30 HG LEU 5 HG LEU 5 -13.460 4.033 3.540 31 1HD1 LEU 5 HD11 LEU 5 -13.409 7.063 3.466 32 2HD1 LEU 5 HD12 LEU 5 -12.453 5.954 2.482 33 3HD1 LEU 5 HD13 LEU 5 -12.145 6.086 4.213 34 1HD2 LEU 5 HD21 LEU 5 -13.551 4.979 5.830 35 2HD2 LEU 5 HD22 LEU 5 -15.098 4.273 5.365 36 3HD2 LEU 5 HD23 LEU 5 -14.883 6.024 5.337 37 H ARG 6 HN ARG 6 -16.535 2.958 1.315 38 HA ARG 6 HA ARG 6 -15.004 0.623 1.899 39 1HB ARG 6 HB2 ARG 6 -17.535 1.001 1.921 40 2HB ARG 6 HB1 ARG 6 -17.492 0.770 0.172 41 1HG ARG 6 HG2 ARG 6 -17.260 -1.473 0.372 42 2HG ARG 6 HG1 ARG 6 -16.020 -1.311 1.615 43 1HD ARG 6 HD2 ARG 6 -18.028 -0.640 3.171 44 2HD ARG 6 HD1 ARG 6 -19.011 -1.460 1.944 45 HE ARG 6 HE ARG 6 -17.367 -2.806 3.850 46 1HH1 ARG 6 HH11 ARG 6 -19.248 -3.436 1.215 47 2HH1 ARG 6 HH12 ARG 6 -18.342 -4.789 0.629 48 1HH2 ARG 6 HH21 ARG 6 -15.665 -4.269 2.782 49 2HH2 ARG 6 HH22 ARG 6 -16.312 -5.269 1.524 50 H ASP 7 HN ASP 7 -15.647 2.288 -1.159 51 HA ASP 7 HA ASP 7 -14.596 0.189 -2.881 52 1HB ASP 7 HB2 ASP 7 -16.198 2.257 -3.290 53 2HB ASP 7 HB1 ASP 7 -14.683 3.114 -3.580 54 H ILE 8 HN ILE 8 -13.279 3.139 -1.380 55 HA ILE 8 HA ILE 8 -10.675 2.924 -2.690 56 HB ILE 8 HB ILE 8 -11.639 4.502 -0.277 57 1HG1 ILE 8 HG12 ILE 8 -11.241 5.633 -3.034 58 2HG1 ILE 8 HG11 ILE 8 -12.734 4.766 -2.673 59 1HG2 ILE 8 HG21 ILE 8 -9.125 4.558 -1.934 60 2HG2 ILE 8 HG22 ILE 8 -9.298 4.625 -0.180 61 3HG2 ILE 8 HG23 ILE 8 -9.708 6.032 -1.160 62 1HD1 ILE 8 HD11 ILE 8 -11.814 6.824 -0.710 63 2HD1 ILE 8 HD12 ILE 8 -13.454 6.352 -1.156 64 3HD1 ILE 8 HD13 ILE 8 -12.512 7.389 -2.228 65 H TRP 9 HN TRP 9 -12.081 1.826 0.377 66 HA TRP 9 HA TRP 9 -9.783 1.291 1.911 67 1HB TRP 9 HB2 TRP 9 -12.097 1.061 2.694 68 2HB TRP 9 HB1 TRP 9 -12.352 -0.299 1.602 69 HD1 TRP 9 HD1 TRP 9 -12.486 -2.361 3.101 70 HE1 TRP 9 HE1 TRP 9 -11.017 -3.380 4.958 71 HE3 TRP 9 HE3 TRP 9 -9.039 1.371 3.657 72 HZ2 TRP 9 HZ2 TRP 9 -8.691 -2.705 6.478 73 HZ3 TRP 9 HZ3 TRP 9 -7.211 1.155 5.314 74 HH2 TRP 9 HH2 TRP 9 -7.031 -0.877 6.724 75 H ASP 10 HN ASP 10 -11.332 -0.889 -0.499 76 HA ASP 10 HA ASP 10 -9.510 -3.066 -0.241 77 1HB ASP 10 HB2 ASP 10 -11.709 -3.012 -1.460 78 2HB ASP 10 HB1 ASP 10 -10.936 -2.066 -2.732 79 H TRP 11 HN TRP 11 -9.386 -0.153 -2.310 80 HA TRP 11 HA TRP 11 -6.942 -0.840 -3.686 81 1HB TRP 11 HB2 TRP 11 -8.626 0.847 -4.418 82 2HB TRP 11 HB1 TRP 11 -8.191 1.856 -3.039 83 HD1 TRP 11 HD1 TRP 11 -6.702 0.439 -6.283 84 HE1 TRP 11 HE1 TRP 11 -4.723 1.931 -6.993 85 HE3 TRP 11 HE3 TRP 11 -6.474 3.571 -2.259 86 HZ2 TRP 11 HZ2 TRP 11 -3.240 4.162 -5.988 87 HZ3 TRP 11 HZ3 TRP 11 -4.770 5.370 -2.159 88 HH2 TRP 11 HH2 TRP 11 -3.154 5.667 -4.017 89 H ILE 12 HN ILE 12 -7.640 0.960 -0.681 90 HA ILE 12 HA ILE 12 -5.012 1.933 -0.133 91 HB ILE 12 HB ILE 12 -7.376 1.094 1.574 92 1HG1 ILE 12 HG12 ILE 12 -6.227 3.856 1.131 93 2HG1 ILE 12 HG11 ILE 12 -7.383 3.146 0.004 94 1HG2 ILE 12 HG21 ILE 12 -6.083 2.588 3.319 95 2HG2 ILE 12 HG22 ILE 12 -4.662 2.094 2.398 96 3HG2 ILE 12 HG23 ILE 12 -5.682 0.877 3.166 97 1HD1 ILE 12 HD11 ILE 12 -9.100 3.080 1.610 98 2HD1 ILE 12 HD12 ILE 12 -8.299 4.614 1.952 99 3HD1 ILE 12 HD13 ILE 12 -7.970 3.203 2.959 100 H CYS 13 HN CYS 13 -6.537 -1.221 0.477 101 HA CYS 13 HA CYS 13 -4.357 -2.331 2.038 102 1HB CYS 13 HB2 CYS 13 -6.754 -3.077 2.021 103 2HB CYS 13 HB1 CYS 13 -6.516 -3.685 0.382 104 HG CYS 13 HG CYS 13 -4.915 -5.489 1.284 105 H GLU 14 HN GLU 14 -5.221 -2.356 -1.431 106 HA GLU 14 HA GLU 14 -3.230 -4.227 -2.305 107 1HB GLU 14 HB2 GLU 14 -5.219 -2.447 -3.384 108 2HB GLU 14 HB1 GLU 14 -3.726 -2.260 -4.302 109 1HG GLU 14 HG2 GLU 14 -4.583 -5.043 -3.653 110 2HG GLU 14 HG1 GLU 14 -5.513 -4.178 -4.875 111 H VAL 15 HN VAL 15 -3.179 -0.712 -1.857 112 HA VAL 15 HA VAL 15 -0.520 -0.290 -2.936 113 HB VAL 15 HB VAL 15 -2.270 1.295 -1.021 114 1HG1 VAL 15 HG11 VAL 15 -0.709 3.146 -2.236 115 2HG1 VAL 15 HG12 VAL 15 0.425 1.796 -2.173 116 3HG1 VAL 15 HG13 VAL 15 -0.298 2.413 -0.686 117 1HG2 VAL 15 HG21 VAL 15 -2.095 2.549 -3.528 118 2HG2 VAL 15 HG22 VAL 15 -3.483 1.667 -2.890 119 3HG2 VAL 15 HG23 VAL 15 -2.296 0.836 -3.896 120 H LEU 16 HN LEU 16 -1.809 -1.049 0.282 121 HA LEU 16 HA LEU 16 0.469 -0.509 1.890 122 1HB LEU 16 HB2 LEU 16 -1.860 -1.113 2.620 123 2HB LEU 16 HB1 LEU 16 -1.539 -2.776 2.133 124 HG LEU 16 HG LEU 16 0.646 -1.983 3.759 125 1HD1 LEU 16 HD11 LEU 16 -0.942 -0.163 4.527 126 2HD1 LEU 16 HD12 LEU 16 -0.387 -1.244 5.805 127 3HD1 LEU 16 HD13 LEU 16 -2.004 -1.438 5.127 128 1HD2 LEU 16 HD21 LEU 16 -1.716 -3.659 4.634 129 2HD2 LEU 16 HD22 LEU 16 -0.019 -3.854 5.074 130 3HD2 LEU 16 HD23 LEU 16 -0.555 -4.238 3.438 131 H SER 17 HN SER 17 -0.343 -3.368 -0.086 132 HA SER 17 HA SER 17 1.772 -5.094 0.774 133 1HB SER 17 HB2 SER 17 0.375 -4.785 -1.909 134 2HB SER 17 HB1 SER 17 1.329 -6.185 -1.430 135 HG SER 17 HG SER 17 -0.643 -6.769 -0.808 136 H ASP 18 HN ASP 18 1.615 -2.723 -1.908 137 HA ASP 18 HA ASP 18 4.348 -3.119 -2.782 138 1HB ASP 18 HB2 ASP 18 2.667 -2.171 -4.257 139 2HB ASP 18 HB1 ASP 18 2.312 -0.887 -3.103 140 H PHE 19 HN PHE 19 2.745 -0.746 -0.639 141 HA PHE 19 HA PHE 19 4.893 0.976 -0.065 142 1HB PHE 19 HB2 PHE 19 2.307 0.396 0.892 143 2HB PHE 19 HB1 PHE 19 3.355 0.287 2.303 144 HD1 PHE 19 HD1 PHE 19 3.649 2.257 3.500 145 HD2 PHE 19 HD2 PHE 19 3.031 2.467 -0.746 146 HE1 PHE 19 HE1 PHE 19 3.773 4.731 3.604 147 HE2 PHE 19 HE2 PHE 19 3.155 4.941 -0.642 148 HZ PHE 19 HZ PHE 19 3.526 6.073 1.533 149 H LYS 20 HN LYS 20 4.134 -2.204 1.367 150 HA LYS 20 HA LYS 20 6.124 -2.278 3.398 151 1HB LYS 20 HB2 LYS 20 4.202 -3.872 2.955 152 2HB LYS 20 HB1 LYS 20 5.163 -4.564 1.647 153 1HG LYS 20 HG2 LYS 20 6.957 -5.117 3.247 154 2HG LYS 20 HG1 LYS 20 6.006 -4.418 4.557 155 1HD LYS 20 HD2 LYS 20 4.171 -6.068 3.970 156 2HD LYS 20 HD1 LYS 20 5.325 -6.851 2.890 157 1HE LYS 20 HE2 LYS 20 6.898 -6.948 4.954 158 2HE LYS 20 HE1 LYS 20 5.432 -6.629 5.902 159 1HZ LYS 20 HZ1 LYS 20 4.349 -8.476 4.726 160 2HZ LYS 20 HZ2 LYS 20 5.703 -8.998 5.609 161 3HZ LYS 20 HZ3 LYS 20 5.804 -8.820 3.924 162 H THR 21 HN THR 21 6.309 -3.225 -0.054 163 HA THR 21 HA THR 21 9.153 -3.942 0.126 164 HB THR 21 HB THR 21 7.572 -3.379 -2.390 165 HG1 THR 21 HG1 THR 21 6.218 -4.858 -1.817 166 1HG2 THR 21 HG21 THR 21 9.954 -3.990 -2.591 167 2HG2 THR 21 HG22 THR 21 8.917 -5.255 -3.249 168 3HG2 THR 21 HG23 THR 21 9.654 -5.458 -1.660 169 H TRP 22 HN TRP 22 7.220 -1.186 -1.033 170 HA TRP 22 HA TRP 22 9.236 0.358 -2.299 171 1HB TRP 22 HB2 TRP 22 6.649 0.645 -1.989 172 2HB TRP 22 HB1 TRP 22 7.087 1.522 -0.529 173 HD1 TRP 22 HD1 TRP 22 7.445 1.671 -4.336 174 HE1 TRP 22 HE1 TRP 22 8.079 4.078 -5.009 175 HE3 TRP 22 HE3 TRP 22 8.165 3.718 0.286 176 HZ2 TRP 22 HZ2 TRP 22 8.796 6.546 -3.751 177 HZ3 TRP 22 HZ3 TRP 22 8.821 6.096 0.519 178 HH2 TRP 22 HH2 TRP 22 9.138 7.512 -1.492 179 H LEU 23 HN LEU 23 8.154 0.421 1.109 180 HA LEU 23 HA LEU 23 10.110 2.305 2.048 181 1HB LEU 23 HB2 LEU 23 8.339 0.191 3.268 182 2HB LEU 23 HB1 LEU 23 9.479 1.078 4.278 183 HG LEU 23 HG LEU 23 7.590 2.532 2.428 184 1HD1 LEU 23 HD11 LEU 23 6.438 0.907 4.109 185 2HD1 LEU 23 HD12 LEU 23 5.896 2.584 4.059 186 3HD1 LEU 23 HD13 LEU 23 6.982 2.047 5.340 187 1HD2 LEU 23 HD21 LEU 23 8.949 3.285 5.038 188 2HD2 LEU 23 HD22 LEU 23 7.961 4.354 4.042 189 3HD2 LEU 23 HD23 LEU 23 9.504 3.757 3.432 190 H LYS 24 HN LYS 24 10.175 -1.246 1.712 191 HA LYS 24 HA LYS 24 12.607 -1.702 3.194 192 1HB LYS 24 HB2 LYS 24 10.775 -3.333 2.414 193 2HB LYS 24 HB1 LYS 24 11.567 -3.295 0.838 194 1HG LYS 24 HG2 LYS 24 13.586 -3.681 2.827 195 2HG LYS 24 HG1 LYS 24 12.288 -4.833 3.140 196 1HD LYS 24 HD2 LYS 24 12.893 -6.079 1.365 197 2HD LYS 24 HD1 LYS 24 12.802 -4.675 0.299 198 1HE LYS 24 HE2 LYS 24 15.084 -4.014 0.905 199 2HE LYS 24 HE1 LYS 24 15.182 -5.351 2.069 200 1HZ LYS 24 HZ1 LYS 24 14.635 -5.667 -0.838 201 2HZ LYS 24 HZ2 LYS 24 14.811 -6.921 0.295 202 3HZ LYS 24 HZ3 LYS 24 16.140 -5.941 -0.105 203 H ALA 25 HN ALA 25 11.942 -0.851 -0.190 204 HA ALA 25 HA ALA 25 14.650 -1.251 -1.157 205 1HB ALA 25 HB1 ALA 25 12.154 0.173 -2.082 206 2HB ALA 25 HB2 ALA 25 12.910 -1.270 -2.758 207 3HB ALA 25 HB3 ALA 25 13.654 0.311 -2.998 208 H LYS 26 HN LYS 26 12.876 1.480 0.257 209 HA LYS 26 HA LYS 26 15.004 3.429 -0.271 210 1HB LYS 26 HB2 LYS 26 12.474 3.796 -0.124 211 2HB LYS 26 HB1 LYS 26 12.642 3.607 1.621 212 1HG LYS 26 HG2 LYS 26 14.665 5.421 0.802 213 2HG LYS 26 HG1 LYS 26 13.175 5.929 0.010 214 1HD LYS 26 HD2 LYS 26 13.351 5.293 2.967 215 2HD LYS 26 HD1 LYS 26 13.534 6.920 2.315 216 1HE LYS 26 HE2 LYS 26 11.107 5.266 1.600 217 2HE LYS 26 HE1 LYS 26 11.156 6.194 3.111 218 1HZ LYS 26 HZ1 LYS 26 11.742 7.303 0.412 219 2HZ LYS 26 HZ2 LYS 26 11.713 8.176 1.871 220 3HZ LYS 26 HZ3 LYS 26 10.280 7.512 1.245 221 H LEU 27 HN LEU 27 13.656 1.865 2.675 222 HA LEU 27 HA LEU 27 16.006 2.794 4.247 223 1HB LEU 27 HB2 LEU 27 13.380 2.766 4.795 224 2HB LEU 27 HB1 LEU 27 13.780 1.151 5.379 225 HG LEU 27 HG LEU 27 15.818 2.533 6.485 226 1HD1 LEU 27 HD11 LEU 27 14.594 4.628 5.435 227 2HD1 LEU 27 HD12 LEU 27 15.290 4.727 7.052 228 3HD1 LEU 27 HD13 LEU 27 13.557 4.471 6.854 229 1HD2 LEU 27 HD21 LEU 27 14.173 2.779 8.509 230 2HD2 LEU 27 HD22 LEU 27 14.528 1.167 7.889 231 3HD2 LEU 27 HD23 LEU 27 13.021 1.969 7.446 232 H MET 28 HN MET 28 17.588 1.384 4.948 233 HA MET 28 HA MET 28 17.196 -1.492 5.132 234 1HB MET 28 HB2 MET 28 17.281 -1.353 2.734 235 2HB MET 28 HB1 MET 28 18.684 -0.293 2.780 236 1HG MET 28 HG2 MET 28 20.124 -2.039 3.485 237 2HG MET 28 HG1 MET 28 18.774 -3.069 3.962 238 1HE MET 28 HE1 MET 28 17.163 -4.283 2.328 239 2HE MET 28 HE2 MET 28 18.651 -5.093 2.810 240 3HE MET 28 HE3 MET 28 18.093 -5.211 1.144 241 HA PRO 29 HA PRO 29 21.797 -0.552 6.115 242 1HB PRO 29 HB2 PRO 29 22.745 1.986 5.706 243 2HB PRO 29 HB1 PRO 29 22.815 0.713 4.474 244 1HG PRO 29 HG2 PRO 29 20.883 2.960 4.766 245 2HG PRO 29 HG1 PRO 29 21.632 2.301 3.303 246 1HD PRO 29 HD2 PRO 29 19.091 1.726 4.040 247 2HD PRO 29 HD1 PRO 29 20.114 0.594 3.131 248 H GLN 30 HN GLN 30 22.989 1.370 7.649 249 HA GLN 30 HA GLN 30 21.345 1.496 10.017 250 1HB GLN 30 HB2 GLN 30 23.957 1.498 9.568 251 2HB GLN 30 HB1 GLN 30 23.742 3.248 9.560 252 1HG GLN 30 HG2 GLN 30 24.153 2.861 11.819 253 2HG GLN 30 HG1 GLN 30 22.392 2.795 11.781 254 1HE2 GLN 30 HE21 GLN 30 25.306 0.875 12.242 255 2HE2 GLN 30 HE22 GLN 30 24.514 -0.570 12.648 256 H LEU 31 HN LEU 31 20.436 3.375 11.036 257 HA LEU 31 HA LEU 31 19.807 5.617 9.147 258 1HB LEU 31 HB2 LEU 31 18.341 4.026 11.164 259 2HB LEU 31 HB1 LEU 31 18.006 5.756 11.218 260 HG LEU 31 HG LEU 31 17.695 5.599 8.665 261 1HD1 LEU 31 HD11 LEU 31 18.687 3.414 8.296 262 2HD1 LEU 31 HD12 LEU 31 16.969 3.312 7.916 263 3HD1 LEU 31 HD13 LEU 31 17.574 2.670 9.443 264 1HD2 LEU 31 HD21 LEU 31 15.360 4.831 8.935 265 2HD2 LEU 31 HD22 LEU 31 15.834 5.892 10.261 266 3HD2 LEU 31 HD23 LEU 31 15.768 4.147 10.508 Start of MODEL 23 1 1H SER 1 HT1 SER 1 -25.351 -3.347 -1.148 2 2H SER 1 HT2 SER 1 -25.279 -2.631 -2.688 3 3H SER 1 HT3 SER 1 -25.722 -1.703 -1.336 4 HA SER 1 HA SER 1 -23.505 -1.946 -0.391 5 1HB SER 1 HB2 SER 1 -23.299 -3.726 -2.823 6 2HB SER 1 HB1 SER 1 -21.855 -3.071 -2.057 7 HG SER 1 HG SER 1 -22.491 -5.133 -1.223 8 H GLY 2 HN GLY 2 -22.749 0.119 -0.647 9 1HA GLY 2 HA2 GLY 2 -22.095 1.110 -3.354 10 2HA GLY 2 HA1 GLY 2 -23.292 2.039 -2.450 11 H SER 3 HN SER 3 -22.376 3.781 -1.509 12 HA SER 3 HA SER 3 -20.900 5.116 -0.263 13 1HB SER 3 HB2 SER 3 -20.779 3.756 1.567 14 2HB SER 3 HB1 SER 3 -20.468 2.320 0.604 15 HG SER 3 HG SER 3 -18.619 2.781 1.741 16 H TRP 4 HN TRP 4 -18.666 5.922 -0.301 17 HA TRP 4 HA TRP 4 -17.229 5.111 -2.796 18 1HB TRP 4 HB2 TRP 4 -18.117 7.542 -1.790 19 2HB TRP 4 HB1 TRP 4 -16.397 7.557 -1.399 20 HD1 TRP 4 HD1 TRP 4 -18.811 7.481 -4.341 21 HE1 TRP 4 HE1 TRP 4 -17.506 7.984 -6.505 22 HE3 TRP 4 HE3 TRP 4 -14.040 7.412 -2.527 23 HZ2 TRP 4 HZ2 TRP 4 -14.793 8.316 -7.355 24 HZ3 TRP 4 HZ3 TRP 4 -12.115 7.826 -4.033 25 HH2 TRP 4 HH2 TRP 4 -12.486 8.276 -6.442 26 H LEU 5 HN LEU 5 -16.685 5.800 0.671 27 HA LEU 5 HA LEU 5 -13.864 5.441 0.745 28 1HB LEU 5 HB2 LEU 5 -15.643 6.231 2.507 29 2HB LEU 5 HB1 LEU 5 -15.714 4.522 2.939 30 HG LEU 5 HG LEU 5 -13.091 4.711 2.989 31 1HD1 LEU 5 HD11 LEU 5 -12.422 7.007 3.808 32 2HD1 LEU 5 HD12 LEU 5 -14.007 7.585 3.296 33 3HD1 LEU 5 HD13 LEU 5 -12.874 6.948 2.105 34 1HD2 LEU 5 HD21 LEU 5 -14.350 4.190 4.976 35 2HD2 LEU 5 HD22 LEU 5 -14.969 5.839 5.085 36 3HD2 LEU 5 HD23 LEU 5 -13.262 5.516 5.393 37 H ARG 6 HN ARG 6 -16.509 3.053 0.866 38 HA ARG 6 HA ARG 6 -15.045 0.735 1.604 39 1HB ARG 6 HB2 ARG 6 -17.547 1.063 1.317 40 2HB ARG 6 HB1 ARG 6 -17.295 0.928 -0.424 41 1HG ARG 6 HG2 ARG 6 -16.024 -1.290 0.238 42 2HG ARG 6 HG1 ARG 6 -16.998 -1.171 1.703 43 1HD ARG 6 HD2 ARG 6 -18.930 -1.710 0.603 44 2HD ARG 6 HD1 ARG 6 -18.499 -0.737 -0.818 45 HE ARG 6 HE ARG 6 -17.275 -2.604 -1.695 46 1HH1 ARG 6 HH21 ARG 6 -19.627 -4.105 -0.474 47 2HH1 ARG 6 HH22 ARG 6 -18.816 -5.373 0.380 48 1HH2 ARG 6 HH11 ARG 6 -15.708 -3.824 0.259 49 2HH2 ARG 6 HH12 ARG 6 -16.588 -5.214 0.796 50 H ASP 7 HN ASP 7 -15.552 2.192 -1.625 51 HA ASP 7 HA ASP 7 -14.168 0.179 -3.140 52 1HB ASP 7 HB2 ASP 7 -15.729 1.900 -4.031 53 2HB ASP 7 HB1 ASP 7 -14.541 3.149 -3.654 54 H ILE 8 HN ILE 8 -13.068 3.159 -1.525 55 HA ILE 8 HA ILE 8 -10.344 3.001 -2.546 56 HB ILE 8 HB ILE 8 -11.503 4.460 -0.142 57 1HG1 ILE 8 HG12 ILE 8 -12.775 5.128 -2.073 58 2HG1 ILE 8 HG11 ILE 8 -11.586 6.398 -1.798 59 1HG2 ILE 8 HG21 ILE 8 -9.588 6.072 -0.810 60 2HG2 ILE 8 HG22 ILE 8 -8.940 4.706 -1.718 61 3HG2 ILE 8 HG23 ILE 8 -9.150 4.584 0.030 62 1HD1 ILE 8 HD11 ILE 8 -11.567 4.241 -3.909 63 2HD1 ILE 8 HD12 ILE 8 -10.091 5.096 -3.459 64 3HD1 ILE 8 HD13 ILE 8 -11.459 5.987 -4.125 65 H TRP 9 HN TRP 9 -12.049 1.699 0.263 66 HA TRP 9 HA TRP 9 -9.916 1.122 2.020 67 1HB TRP 9 HB2 TRP 9 -12.498 0.797 2.172 68 2HB TRP 9 HB1 TRP 9 -12.185 -0.791 1.472 69 HD1 TRP 9 HD1 TRP 9 -12.080 -2.536 3.304 70 HE1 TRP 9 HE1 TRP 9 -11.097 -2.669 5.683 71 HE3 TRP 9 HE3 TRP 9 -10.276 2.219 3.785 72 HZ2 TRP 9 HZ2 TRP 9 -9.728 -0.984 7.545 73 HZ3 TRP 9 HZ3 TRP 9 -9.139 2.928 5.869 74 HH2 TRP 9 HH2 TRP 9 -8.863 1.334 7.748 75 H ASP 10 HN ASP 10 -11.202 -0.974 -0.609 76 HA ASP 10 HA ASP 10 -9.263 -3.071 -0.303 77 1HB ASP 10 HB2 ASP 10 -11.495 -3.019 -1.581 78 2HB ASP 10 HB1 ASP 10 -10.612 -2.206 -2.875 79 H TRP 11 HN TRP 11 -9.317 -0.129 -2.323 80 HA TRP 11 HA TRP 11 -6.905 -0.573 -3.791 81 1HB TRP 11 HB2 TRP 11 -8.598 1.143 -4.305 82 2HB TRP 11 HB1 TRP 11 -8.252 1.964 -2.785 83 HD1 TRP 11 HD1 TRP 11 -6.855 1.382 -6.275 84 HE1 TRP 11 HE1 TRP 11 -4.908 3.023 -6.682 85 HE3 TRP 11 HE3 TRP 11 -6.361 3.344 -1.587 86 HZ2 TRP 11 HZ2 TRP 11 -3.346 4.918 -5.211 87 HZ3 TRP 11 HZ3 TRP 11 -4.639 5.063 -1.117 88 HH2 TRP 11 HH2 TRP 11 -3.132 5.850 -2.922 89 H ILE 12 HN ILE 12 -7.488 0.916 -0.594 90 HA ILE 12 HA ILE 12 -4.794 1.771 -0.078 91 HB ILE 12 HB ILE 12 -7.122 0.934 1.686 92 1HG1 ILE 12 HG12 ILE 12 -6.033 3.718 1.340 93 2HG1 ILE 12 HG11 ILE 12 -7.100 3.040 0.111 94 1HG2 ILE 12 HG21 ILE 12 -5.754 2.399 3.389 95 2HG2 ILE 12 HG22 ILE 12 -4.376 1.941 2.387 96 3HG2 ILE 12 HG23 ILE 12 -5.341 0.697 3.183 97 1HD1 ILE 12 HD11 ILE 12 -8.879 2.748 1.668 98 2HD1 ILE 12 HD12 ILE 12 -8.239 4.360 1.986 99 3HD1 ILE 12 HD13 ILE 12 -7.815 3.016 3.047 100 H CYS 13 HN CYS 13 -6.488 -1.319 0.452 101 HA CYS 13 HA CYS 13 -4.426 -2.651 1.943 102 1HB CYS 13 HB2 CYS 13 -6.893 -3.266 1.543 103 2HB CYS 13 HB1 CYS 13 -6.368 -3.905 -0.015 104 HG CYS 13 HG CYS 13 -6.167 -5.434 2.484 105 H GLU 14 HN GLU 14 -5.075 -2.367 -1.562 106 HA GLU 14 HA GLU 14 -3.003 -4.148 -2.451 107 1HB GLU 14 HB2 GLU 14 -4.927 -2.234 -3.507 108 2HB GLU 14 HB1 GLU 14 -3.401 -2.147 -4.382 109 1HG GLU 14 HG2 GLU 14 -4.309 -3.884 -5.563 110 2HG GLU 14 HG1 GLU 14 -3.677 -4.835 -4.220 111 H VAL 15 HN VAL 15 -3.080 -0.652 -1.841 112 HA VAL 15 HA VAL 15 -0.352 -0.132 -2.682 113 HB VAL 15 HB VAL 15 -2.275 1.351 -0.850 114 1HG1 VAL 15 HG11 VAL 15 0.467 1.960 -1.849 115 2HG1 VAL 15 HG12 VAL 15 -0.327 2.470 -0.358 116 3HG1 VAL 15 HG13 VAL 15 -0.701 3.281 -1.879 117 1HG2 VAL 15 HG21 VAL 15 -1.713 2.411 -3.534 118 2HG2 VAL 15 HG22 VAL 15 -3.261 2.177 -2.722 119 3HG2 VAL 15 HG23 VAL 15 -2.493 0.830 -3.563 120 H LEU 16 HN LEU 16 -1.906 -0.964 0.406 121 HA LEU 16 HA LEU 16 0.285 -0.492 2.171 122 1HB LEU 16 HB2 LEU 16 -2.145 -1.026 2.691 123 2HB LEU 16 HB1 LEU 16 -1.781 -2.710 2.315 124 HG LEU 16 HG LEU 16 0.203 -2.332 4.028 125 1HD1 LEU 16 HD11 LEU 16 -1.871 -0.330 4.976 126 2HD1 LEU 16 HD12 LEU 16 -0.314 0.104 4.271 127 3HD1 LEU 16 HD13 LEU 16 -0.377 -0.765 5.804 128 1HD2 LEU 16 HD21 LEU 16 -1.177 -3.295 5.742 129 2HD2 LEU 16 HD22 LEU 16 -1.822 -3.870 4.205 130 3HD2 LEU 16 HD23 LEU 16 -2.634 -2.564 5.068 131 H SER 17 HN SER 17 -0.564 -3.355 0.200 132 HA SER 17 HA SER 17 1.461 -5.130 1.160 133 1HB SER 17 HB2 SER 17 -0.618 -5.289 -0.554 134 2HB SER 17 HB1 SER 17 0.689 -5.133 -1.725 135 HG SER 17 HG SER 17 1.143 -7.137 -1.321 136 H ASP 18 HN ASP 18 1.479 -2.739 -1.498 137 HA ASP 18 HA ASP 18 4.237 -3.264 -2.277 138 1HB ASP 18 HB2 ASP 18 2.731 -2.341 -3.897 139 2HB ASP 18 HB1 ASP 18 2.199 -1.078 -2.787 140 H PHE 19 HN PHE 19 2.595 -0.919 -0.153 141 HA PHE 19 HA PHE 19 4.632 0.912 0.420 142 1HB PHE 19 HB2 PHE 19 2.137 0.226 1.398 143 2HB PHE 19 HB1 PHE 19 3.184 -0.100 2.777 144 HD1 PHE 19 HD1 PHE 19 1.827 2.482 0.555 145 HD2 PHE 19 HD2 PHE 19 4.556 1.690 3.778 146 HE1 PHE 19 HE1 PHE 19 1.981 4.913 1.024 147 HE2 PHE 19 HE2 PHE 19 4.709 4.121 4.245 148 HZ PHE 19 HZ PHE 19 3.422 5.732 2.869 149 H LYS 20 HN LYS 20 4.168 -2.340 1.818 150 HA LYS 20 HA LYS 20 6.298 -2.282 3.722 151 1HB LYS 20 HB2 LYS 20 4.421 -3.952 3.490 152 2HB LYS 20 HB1 LYS 20 5.259 -4.623 2.091 153 1HG LYS 20 HG2 LYS 20 7.220 -4.470 4.093 154 2HG LYS 20 HG1 LYS 20 5.776 -5.056 4.919 155 1HD LYS 20 HD2 LYS 20 5.717 -6.528 2.601 156 2HD LYS 20 HD1 LYS 20 7.451 -6.387 2.886 157 1HE LYS 20 HE2 LYS 20 7.034 -8.244 4.209 158 2HE LYS 20 HE1 LYS 20 6.650 -6.989 5.403 159 1HZ LYS 20 HZ1 LYS 20 4.339 -7.023 4.323 160 2HZ LYS 20 HZ2 LYS 20 4.742 -8.301 5.367 161 3HZ LYS 20 HZ3 LYS 20 4.796 -8.526 3.684 162 H THR 21 HN THR 21 6.264 -3.293 0.282 163 HA THR 21 HA THR 21 9.131 -3.930 0.293 164 HB THR 21 HB THR 21 7.430 -3.527 -2.162 165 HG1 THR 21 HG1 THR 21 6.079 -4.962 -1.490 166 1HG2 THR 21 HG21 THR 21 9.380 -5.719 -1.423 167 2HG2 THR 21 HG22 THR 21 9.862 -4.230 -2.235 168 3HG2 THR 21 HG23 THR 21 8.745 -5.344 -3.025 169 H TRP 22 HN TRP 22 7.069 -1.347 -1.095 170 HA TRP 22 HA TRP 22 9.013 0.153 -2.478 171 1HB TRP 22 HB2 TRP 22 6.378 0.377 -1.951 172 2HB TRP 22 HB1 TRP 22 6.983 1.588 -0.825 173 HD1 TRP 22 HD1 TRP 22 6.418 0.941 -4.485 174 HE1 TRP 22 HE1 TRP 22 7.089 3.027 -5.844 175 HE3 TRP 22 HE3 TRP 22 8.732 3.662 -0.838 176 HZ2 TRP 22 HZ2 TRP 22 8.433 5.521 -5.436 177 HZ3 TRP 22 HZ3 TRP 22 9.699 5.887 -1.348 178 HH2 TRP 22 HH2 TRP 22 9.551 6.818 -3.640 179 H LEU 23 HN LEU 23 8.083 0.384 0.968 180 HA LEU 23 HA LEU 23 9.882 2.478 1.710 181 1HB LEU 23 HB2 LEU 23 8.287 0.332 3.010 182 2HB LEU 23 HB1 LEU 23 9.616 0.975 3.970 183 HG LEU 23 HG LEU 23 7.433 2.188 4.305 184 1HD1 LEU 23 HD11 LEU 23 9.810 3.189 4.537 185 2HD1 LEU 23 HD12 LEU 23 8.452 4.310 4.448 186 3HD1 LEU 23 HD13 LEU 23 9.454 4.024 3.025 187 1HD2 LEU 23 HD21 LEU 23 6.662 2.025 1.941 188 2HD2 LEU 23 HD22 LEU 23 7.948 3.133 1.464 189 3HD2 LEU 23 HD23 LEU 23 6.654 3.687 2.527 190 H LYS 24 HN LYS 24 10.305 -1.086 1.733 191 HA LYS 24 HA LYS 24 13.010 -1.026 2.780 192 1HB LYS 24 HB2 LYS 24 11.191 -2.994 1.409 193 2HB LYS 24 HB1 LYS 24 12.892 -3.405 1.628 194 1HG LYS 24 HG2 LYS 24 11.212 -2.401 3.927 195 2HG LYS 24 HG1 LYS 24 11.252 -4.110 3.497 196 1HD LYS 24 HD2 LYS 24 13.922 -3.514 3.504 197 2HD LYS 24 HD1 LYS 24 13.332 -2.439 4.771 198 1HE LYS 24 HE2 LYS 24 12.014 -4.654 5.519 199 2HE LYS 24 HE1 LYS 24 13.386 -5.427 4.702 200 1HZ LYS 24 HZ1 LYS 24 13.971 -4.974 6.985 201 2HZ LYS 24 HZ2 LYS 24 13.541 -3.339 6.815 202 3HZ LYS 24 HZ3 LYS 24 14.878 -3.963 5.970 203 H ALA 25 HN ALA 25 11.595 -0.983 -0.476 204 HA ALA 25 HA ALA 25 13.991 -1.414 -1.992 205 1HB ALA 25 HB1 ALA 25 11.524 -1.461 -2.686 206 2HB ALA 25 HB2 ALA 25 12.628 -0.687 -3.821 207 3HB ALA 25 HB3 ALA 25 11.616 0.298 -2.765 208 H LYS 26 HN LYS 26 12.946 1.338 -0.146 209 HA LYS 26 HA LYS 26 14.858 3.137 -1.587 210 1HB LYS 26 HB2 LYS 26 12.241 3.384 -0.302 211 2HB LYS 26 HB1 LYS 26 13.376 4.604 0.273 212 1HG LYS 26 HG2 LYS 26 12.358 5.574 -1.642 213 2HG LYS 26 HG1 LYS 26 13.936 5.019 -2.199 214 1HD LYS 26 HD2 LYS 26 12.038 2.867 -2.440 215 2HD LYS 26 HD1 LYS 26 11.392 4.304 -3.231 216 1HE LYS 26 HE2 LYS 26 13.130 4.401 -4.784 217 2HE LYS 26 HE1 LYS 26 14.264 3.547 -3.719 218 1HZ LYS 26 HZ1 LYS 26 11.797 2.260 -4.748 219 2HZ LYS 26 HZ2 LYS 26 13.159 1.521 -4.051 220 3HZ LYS 26 HZ3 LYS 26 13.262 2.200 -5.603 221 H LEU 27 HN LEU 27 14.150 1.628 1.527 222 HA LEU 27 HA LEU 27 16.112 3.223 3.015 223 1HB LEU 27 HB2 LEU 27 13.917 2.134 3.820 224 2HB LEU 27 HB1 LEU 27 14.814 0.616 3.826 225 HG LEU 27 HG LEU 27 16.581 2.017 5.203 226 1HD1 LEU 27 HD11 LEU 27 15.556 4.184 5.042 227 2HD1 LEU 27 HD12 LEU 27 15.323 3.638 6.702 228 3HD1 LEU 27 HD13 LEU 27 13.991 3.549 5.549 229 1HD2 LEU 27 HD21 LEU 27 15.314 0.049 6.029 230 2HD2 LEU 27 HD22 LEU 27 13.947 1.099 6.405 231 3HD2 LEU 27 HD23 LEU 27 15.469 1.286 7.276 232 H MET 28 HN MET 28 15.960 -0.084 1.650 233 HA MET 28 HA MET 28 18.376 -1.108 2.738 234 1HB MET 28 HB2 MET 28 16.583 -1.650 0.432 235 2HB MET 28 HB1 MET 28 18.204 -2.332 0.319 236 1HG MET 28 HG2 MET 28 17.916 -3.687 2.188 237 2HG MET 28 HG1 MET 28 16.678 -2.640 2.884 238 1HE MET 28 HE1 MET 28 17.667 -5.093 0.156 239 2HE MET 28 HE2 MET 28 16.264 -6.159 0.093 240 3HE MET 28 HE3 MET 28 17.176 -6.003 1.592 241 HA PRO 29 HA PRO 29 20.730 0.536 -1.081 242 1HB PRO 29 HB2 PRO 29 19.467 2.257 -2.790 243 2HB PRO 29 HB1 PRO 29 19.426 0.496 -2.984 244 1HG PRO 29 HG2 PRO 29 17.360 2.328 -1.902 245 2HG PRO 29 HG1 PRO 29 17.174 0.856 -2.865 246 1HD PRO 29 HD2 PRO 29 16.778 1.002 -0.149 247 2HD PRO 29 HD1 PRO 29 17.169 -0.489 -1.033 248 H GLN 30 HN GLN 30 21.197 3.049 -2.034 249 HA GLN 30 HA GLN 30 20.925 4.852 0.356 250 1HB GLN 30 HB2 GLN 30 23.243 4.146 -1.445 251 2HB GLN 30 HB1 GLN 30 23.239 5.659 -0.542 252 1HG GLN 30 HG2 GLN 30 22.719 3.008 0.809 253 2HG GLN 30 HG1 GLN 30 24.353 3.634 0.592 254 1HE2 GLN 30 HE21 GLN 30 21.499 3.869 2.548 255 2HE2 GLN 30 HE22 GLN 30 22.012 5.170 3.510 256 H LEU 31 HN LEU 31 21.100 7.200 -0.237 257 HA LEU 31 HA LEU 31 20.001 7.718 -2.982 258 1HB LEU 31 HB2 LEU 31 19.325 8.595 -0.231 259 2HB LEU 31 HB1 LEU 31 19.285 9.870 -1.446 260 HG LEU 31 HG LEU 31 17.080 8.803 -1.252 261 1HD1 LEU 31 HD11 LEU 31 18.179 7.760 -3.842 262 2HD1 LEU 31 HD12 LEU 31 18.216 9.496 -3.528 263 3HD1 LEU 31 HD13 LEU 31 16.677 8.633 -3.538 264 1HD2 LEU 31 HD21 LEU 31 18.310 6.528 -0.635 265 2HD2 LEU 31 HD22 LEU 31 18.166 6.243 -2.370 266 3HD2 LEU 31 HD23 LEU 31 16.721 6.516 -1.397 Start of MODEL 24 1 1H SER 1 HT1 SER 1 -28.202 2.653 -2.153 2 2H SER 1 HT2 SER 1 -29.055 2.628 -0.684 3 3H SER 1 HT3 SER 1 -28.433 1.186 -1.334 4 HA SER 1 HA SER 1 -26.768 3.475 -0.404 5 1HB SER 1 HB2 SER 1 -27.394 0.786 0.861 6 2HB SER 1 HB1 SER 1 -26.374 2.045 1.551 7 HG SER 1 HG SER 1 -28.405 2.263 2.428 8 H GLY 2 HN GLY 2 -24.746 3.333 -1.301 9 1HA GLY 2 HA2 GLY 2 -23.886 0.693 -2.421 10 2HA GLY 2 HA1 GLY 2 -23.381 2.251 -3.077 11 H SER 3 HN SER 3 -21.747 -0.010 -1.972 12 HA SER 3 HA SER 3 -20.609 1.009 0.542 13 1HB SER 3 HB2 SER 3 -20.724 -1.422 -0.892 14 2HB SER 3 HB1 SER 3 -19.023 -0.970 -0.872 15 HG SER 3 HG SER 3 -20.791 -1.237 1.337 16 H TRP 4 HN TRP 4 -19.811 3.116 -0.062 17 HA TRP 4 HA TRP 4 -17.911 3.410 -2.286 18 1HB TRP 4 HB2 TRP 4 -19.626 5.107 -1.449 19 2HB TRP 4 HB1 TRP 4 -18.578 5.347 -0.051 20 HD1 TRP 4 HD1 TRP 4 -18.229 5.368 -3.911 21 HE1 TRP 4 HE1 TRP 4 -16.566 7.229 -4.551 22 HE3 TRP 4 HE3 TRP 4 -16.937 7.042 0.740 23 HZ2 TRP 4 HZ2 TRP 4 -14.910 9.172 -3.264 24 HZ3 TRP 4 HZ3 TRP 4 -15.317 8.897 1.002 25 HH2 TRP 4 HH2 TRP 4 -14.302 9.964 -0.992 26 H LEU 5 HN LEU 5 -17.763 3.388 1.287 27 HA LEU 5 HA LEU 5 -15.029 4.038 1.650 28 1HB LEU 5 HB2 LEU 5 -17.076 3.541 3.270 29 2HB LEU 5 HB1 LEU 5 -16.376 1.922 3.305 30 HG LEU 5 HG LEU 5 -14.580 4.292 3.715 31 1HD1 LEU 5 HD11 LEU 5 -16.282 3.012 5.876 32 2HD1 LEU 5 HD12 LEU 5 -16.514 4.638 5.234 33 3HD1 LEU 5 HD13 LEU 5 -15.044 4.244 6.124 34 1HD2 LEU 5 HD21 LEU 5 -13.652 2.472 5.374 35 2HD2 LEU 5 HD22 LEU 5 -13.363 2.292 3.643 36 3HD2 LEU 5 HD23 LEU 5 -14.647 1.369 4.423 37 H ARG 6 HN ARG 6 -16.551 0.890 0.927 38 HA ARG 6 HA ARG 6 -14.227 -0.759 1.173 39 1HB ARG 6 HB2 ARG 6 -16.891 -1.089 0.664 40 2HB ARG 6 HB1 ARG 6 -16.216 -1.390 -0.937 41 1HG ARG 6 HG2 ARG 6 -15.270 -3.354 -0.298 42 2HG ARG 6 HG1 ARG 6 -14.734 -2.698 1.249 43 1HD ARG 6 HD2 ARG 6 -17.042 -2.909 2.137 44 2HD ARG 6 HD1 ARG 6 -17.560 -3.607 0.589 45 HE ARG 6 HE ARG 6 -15.526 -4.864 2.396 46 1HH1 ARG 6 HH11 ARG 6 -18.465 -5.772 1.870 47 2HH1 ARG 6 HH12 ARG 6 -18.179 -7.128 0.831 48 1HH2 ARG 6 HH21 ARG 6 -14.873 -6.267 0.184 49 2HH2 ARG 6 HH22 ARG 6 -16.136 -7.411 -0.125 50 H ASP 7 HN ASP 7 -15.427 1.262 -1.488 51 HA ASP 7 HA ASP 7 -13.709 0.285 -3.570 52 1HB ASP 7 HB2 ASP 7 -15.799 1.807 -3.628 53 2HB ASP 7 HB1 ASP 7 -14.699 3.126 -3.227 54 H ILE 8 HN ILE 8 -13.273 2.819 -1.093 55 HA ILE 8 HA ILE 8 -10.614 3.567 -2.126 56 HB ILE 8 HB ILE 8 -12.251 4.335 0.317 57 1HG1 ILE 8 HG12 ILE 8 -11.817 6.520 -1.415 58 2HG1 ILE 8 HG11 ILE 8 -12.224 5.163 -2.465 59 1HG2 ILE 8 HG21 ILE 8 -10.541 6.327 0.230 60 2HG2 ILE 8 HG22 ILE 8 -9.516 5.169 -0.620 61 3HG2 ILE 8 HG23 ILE 8 -10.071 4.820 1.017 62 1HD1 ILE 8 HD11 ILE 8 -14.385 5.410 -1.903 63 2HD1 ILE 8 HD12 ILE 8 -13.966 6.708 -0.785 64 3HD1 ILE 8 HD13 ILE 8 -13.974 5.034 -0.230 65 H TRP 9 HN TRP 9 -11.938 1.941 0.788 66 HA TRP 9 HA TRP 9 -9.494 1.433 2.136 67 1HB TRP 9 HB2 TRP 9 -11.853 1.142 2.971 68 2HB TRP 9 HB1 TRP 9 -11.961 -0.330 2.004 69 HD1 TRP 9 HD1 TRP 9 -11.787 -2.273 3.646 70 HE1 TRP 9 HE1 TRP 9 -10.175 -2.935 5.546 71 HE3 TRP 9 HE3 TRP 9 -8.880 1.924 3.848 72 HZ2 TRP 9 HZ2 TRP 9 -7.950 -1.832 6.964 73 HZ3 TRP 9 HZ3 TRP 9 -7.025 2.090 5.479 74 HH2 TRP 9 HH2 TRP 9 -6.556 0.219 7.036 75 H ASP 10 HN ASP 10 -11.154 -0.512 -0.368 76 HA ASP 10 HA ASP 10 -9.438 -2.787 -0.344 77 1HB ASP 10 HB2 ASP 10 -11.618 -2.580 -1.515 78 2HB ASP 10 HB1 ASP 10 -10.894 -1.435 -2.645 79 H TRP 11 HN TRP 11 -9.193 0.281 -2.167 80 HA TRP 11 HA TRP 11 -6.792 -0.392 -3.618 81 1HB TRP 11 HB2 TRP 11 -8.321 1.383 -4.301 82 2HB TRP 11 HB1 TRP 11 -8.081 2.229 -2.774 83 HD1 TRP 11 HD1 TRP 11 -6.227 1.311 -6.007 84 HE1 TRP 11 HE1 TRP 11 -4.260 2.949 -6.313 85 HE3 TRP 11 HE3 TRP 11 -6.503 3.855 -1.590 86 HZ2 TRP 11 HZ2 TRP 11 -2.975 5.063 -4.874 87 HZ3 TRP 11 HZ3 TRP 11 -4.898 5.672 -1.082 88 HH2 TRP 11 HH2 TRP 11 -3.136 6.279 -2.717 89 H ILE 12 HN ILE 12 -7.371 1.250 -0.494 90 HA ILE 12 HA ILE 12 -4.668 2.018 0.057 91 HB ILE 12 HB ILE 12 -7.067 1.300 1.772 92 1HG1 ILE 12 HG12 ILE 12 -5.737 3.978 1.268 93 2HG1 ILE 12 HG11 ILE 12 -7.062 3.364 0.278 94 1HG2 ILE 12 HG21 ILE 12 -4.291 2.154 2.569 95 2HG2 ILE 12 HG22 ILE 12 -5.327 0.931 3.303 96 3HG2 ILE 12 HG23 ILE 12 -5.679 2.642 3.541 97 1HD1 ILE 12 HD11 ILE 12 -8.489 3.196 2.284 98 2HD1 ILE 12 HD12 ILE 12 -7.909 4.846 2.063 99 3HD1 ILE 12 HD13 ILE 12 -7.167 3.805 3.279 100 H CYS 13 HN CYS 13 -6.443 -1.018 0.611 101 HA CYS 13 HA CYS 13 -4.396 -2.364 2.135 102 1HB CYS 13 HB2 CYS 13 -6.871 -2.917 1.894 103 2HB CYS 13 HB1 CYS 13 -6.494 -3.557 0.295 104 HG CYS 13 HG CYS 13 -4.939 -5.341 1.445 105 H GLU 14 HN GLU 14 -5.170 -2.270 -1.371 106 HA GLU 14 HA GLU 14 -3.132 -4.134 -2.182 107 1HB GLU 14 HB2 GLU 14 -5.183 -2.553 -3.332 108 2HB GLU 14 HB1 GLU 14 -3.692 -2.085 -4.149 109 1HG GLU 14 HG2 GLU 14 -4.654 -4.942 -3.796 110 2HG GLU 14 HG1 GLU 14 -4.812 -3.999 -5.277 111 H VAL 15 HN VAL 15 -3.205 -0.586 -1.952 112 HA VAL 15 HA VAL 15 -0.508 -0.110 -2.842 113 HB VAL 15 HB VAL 15 -2.411 1.408 -1.018 114 1HG1 VAL 15 HG11 VAL 15 -0.415 2.458 -0.484 115 2HG1 VAL 15 HG12 VAL 15 -0.845 3.352 -1.942 116 3HG1 VAL 15 HG13 VAL 15 0.338 2.046 -2.025 117 1HG2 VAL 15 HG21 VAL 15 -3.311 2.297 -2.912 118 2HG2 VAL 15 HG22 VAL 15 -2.631 0.874 -3.700 119 3HG2 VAL 15 HG23 VAL 15 -1.748 2.402 -3.723 120 H LEU 16 HN LEU 16 -1.949 -0.928 0.289 121 HA LEU 16 HA LEU 16 0.257 -0.408 2.014 122 1HB LEU 16 HB2 LEU 16 -2.320 -1.489 2.144 123 2HB LEU 16 HB1 LEU 16 -1.285 -2.827 2.629 124 HG LEU 16 HG LEU 16 -1.895 -1.550 4.605 125 1HD1 LEU 16 HD11 LEU 16 0.932 -0.711 3.970 126 2HD1 LEU 16 HD12 LEU 16 0.516 -2.406 4.221 127 3HD1 LEU 16 HD13 LEU 16 0.260 -1.235 5.514 128 1HD2 LEU 16 HD21 LEU 16 -0.647 0.838 3.207 129 2HD2 LEU 16 HD22 LEU 16 -1.363 0.826 4.818 130 3HD2 LEU 16 HD23 LEU 16 -2.382 0.583 3.400 131 H SER 17 HN SER 17 -0.529 -3.227 -0.025 132 HA SER 17 HA SER 17 1.557 -4.976 0.886 133 1HB SER 17 HB2 SER 17 -0.416 -4.775 -1.250 134 2HB SER 17 HB1 SER 17 1.094 -5.455 -1.848 135 HG SER 17 HG SER 17 -0.646 -6.834 -0.724 136 H ASP 18 HN ASP 18 1.421 -2.643 -1.830 137 HA ASP 18 HA ASP 18 4.154 -3.038 -2.685 138 1HB ASP 18 HB2 ASP 18 2.493 -2.069 -4.161 139 2HB ASP 18 HB1 ASP 18 2.133 -0.791 -2.998 140 H PHE 19 HN PHE 19 2.573 -0.696 -0.493 141 HA PHE 19 HA PHE 19 4.741 1.015 0.072 142 1HB PHE 19 HB2 PHE 19 2.157 0.460 1.038 143 2HB PHE 19 HB1 PHE 19 3.207 0.299 2.443 144 HD1 PHE 19 HD1 PHE 19 2.424 2.577 -0.418 145 HD2 PHE 19 HD2 PHE 19 4.034 2.209 3.548 146 HE1 PHE 19 HE1 PHE 19 2.600 5.046 -0.259 147 HE2 PHE 19 HE2 PHE 19 4.208 4.677 3.707 148 HZ PHE 19 HZ PHE 19 3.492 6.095 1.803 149 H LYS 20 HN LYS 20 3.948 -2.153 1.527 150 HA LYS 20 HA LYS 20 5.995 -2.237 3.507 151 1HB LYS 20 HB2 LYS 20 3.988 -3.770 3.113 152 2HB LYS 20 HB1 LYS 20 4.954 -4.564 1.867 153 1HG LYS 20 HG2 LYS 20 6.750 -4.906 3.624 154 2HG LYS 20 HG1 LYS 20 5.579 -4.355 4.823 155 1HD LYS 20 HD2 LYS 20 4.009 -6.155 3.939 156 2HD LYS 20 HD1 LYS 20 5.382 -6.789 3.033 157 1HE LYS 20 HE2 LYS 20 5.638 -6.281 6.000 158 2HE LYS 20 HE1 LYS 20 4.920 -7.791 5.402 159 1HZ LYS 20 HZ1 LYS 20 7.561 -6.687 4.583 160 2HZ LYS 20 HZ2 LYS 20 6.863 -8.121 3.996 161 3HZ LYS 20 HZ3 LYS 20 7.327 -8.005 5.625 162 H THR 21 HN THR 21 6.079 -3.112 0.040 163 HA THR 21 HA THR 21 8.899 -3.984 0.227 164 HB THR 21 HB THR 21 7.308 -3.541 -2.302 165 HG1 THR 21 HG1 THR 21 5.884 -4.884 -1.580 166 1HG2 THR 21 HG21 THR 21 9.816 -4.439 -1.945 167 2HG2 THR 21 HG22 THR 21 8.776 -5.035 -3.238 168 3HG2 THR 21 HG23 THR 21 8.948 -5.962 -1.747 169 H TRP 22 HN TRP 22 7.028 -1.268 -1.131 170 HA TRP 22 HA TRP 22 9.111 0.101 -2.495 171 1HB TRP 22 HB2 TRP 22 6.489 0.455 -2.178 172 2HB TRP 22 HB1 TRP 22 7.020 1.572 -0.925 173 HD1 TRP 22 HD1 TRP 22 6.799 1.164 -4.660 174 HE1 TRP 22 HE1 TRP 22 7.657 3.306 -5.812 175 HE3 TRP 22 HE3 TRP 22 8.799 3.588 -0.636 176 HZ2 TRP 22 HZ2 TRP 22 9.012 5.729 -5.116 177 HZ3 TRP 22 HZ3 TRP 22 9.865 5.809 -0.907 178 HH2 TRP 22 HH2 TRP 22 9.973 6.881 -3.140 179 H LEU 23 HN LEU 23 8.025 0.382 0.897 180 HA LEU 23 HA LEU 23 9.923 2.387 1.698 181 1HB LEU 23 HB2 LEU 23 8.080 0.409 2.961 182 2HB LEU 23 HB1 LEU 23 9.354 1.064 3.988 183 HG LEU 23 HG LEU 23 7.256 2.406 4.100 184 1HD1 LEU 23 HD11 LEU 23 9.625 3.370 4.340 185 2HD1 LEU 23 HD12 LEU 23 8.330 4.519 4.005 186 3HD1 LEU 23 HD13 LEU 23 9.408 4.004 2.709 187 1HD2 LEU 23 HD21 LEU 23 6.610 3.760 2.139 188 2HD2 LEU 23 HD22 LEU 23 6.507 2.040 1.771 189 3HD2 LEU 23 HD23 LEU 23 7.873 2.988 1.184 190 H LYS 24 HN LYS 24 10.036 -1.194 1.797 191 HA LYS 24 HA LYS 24 12.628 -1.325 3.107 192 1HB LYS 24 HB2 LYS 24 10.723 -3.067 2.930 193 2HB LYS 24 HB1 LYS 24 11.370 -3.421 1.327 194 1HG LYS 24 HG2 LYS 24 13.660 -3.460 2.803 195 2HG LYS 24 HG1 LYS 24 12.497 -4.041 3.996 196 1HD LYS 24 HD2 LYS 24 11.752 -5.449 1.755 197 2HD LYS 24 HD1 LYS 24 13.503 -5.359 1.562 198 1HE LYS 24 HE2 LYS 24 13.838 -6.300 3.803 199 2HE LYS 24 HE1 LYS 24 12.084 -6.325 4.072 200 1HZ LYS 24 HZ1 LYS 24 12.722 -8.466 3.271 201 2HZ LYS 24 HZ2 LYS 24 13.597 -7.797 1.978 202 3HZ LYS 24 HZ3 LYS 24 11.901 -7.683 2.012 203 H ALA 25 HN ALA 25 11.529 -1.197 -0.262 204 HA ALA 25 HA ALA 25 14.055 -1.911 -1.483 205 1HB ALA 25 HB1 ALA 25 11.868 -2.051 -2.604 206 2HB ALA 25 HB2 ALA 25 12.934 -0.967 -3.499 207 3HB ALA 25 HB3 ALA 25 11.670 -0.303 -2.463 208 H LYS 26 HN LYS 26 12.569 1.182 -0.510 209 HA LYS 26 HA LYS 26 14.660 2.841 -1.680 210 1HB LYS 26 HB2 LYS 26 12.296 3.528 -1.268 211 2HB LYS 26 HB1 LYS 26 12.590 3.414 0.468 212 1HG LYS 26 HG2 LYS 26 13.561 5.446 0.509 213 2HG LYS 26 HG1 LYS 26 14.646 5.010 -0.812 214 1HD LYS 26 HD2 LYS 26 12.380 5.309 -2.226 215 2HD LYS 26 HD1 LYS 26 12.018 6.414 -0.900 216 1HE LYS 26 HE2 LYS 26 14.682 6.537 -2.329 217 2HE LYS 26 HE1 LYS 26 13.264 7.408 -2.947 218 1HZ LYS 26 HZ1 LYS 26 14.352 7.602 -0.183 219 2HZ LYS 26 HZ2 LYS 26 12.973 8.410 -0.758 220 3HZ LYS 26 HZ3 LYS 26 14.505 8.785 -1.387 221 H LEU 27 HN LEU 27 14.045 1.442 1.535 222 HA LEU 27 HA LEU 27 16.312 2.884 2.752 223 1HB LEU 27 HB2 LEU 27 13.920 1.814 3.626 224 2HB LEU 27 HB1 LEU 27 15.082 0.610 4.174 225 HG LEU 27 HG LEU 27 14.734 2.342 5.893 226 1HD1 LEU 27 HD11 LEU 27 16.997 1.252 5.516 227 2HD1 LEU 27 HD12 LEU 27 17.045 2.808 6.345 228 3HD1 LEU 27 HD13 LEU 27 17.464 2.707 4.635 229 1HD2 LEU 27 HD21 LEU 27 14.780 4.583 5.465 230 2HD2 LEU 27 HD22 LEU 27 14.480 4.081 3.801 231 3HD2 LEU 27 HD23 LEU 27 16.123 4.439 4.331 232 H MET 28 HN MET 28 15.481 -0.550 2.109 233 HA MET 28 HA MET 28 16.853 -2.458 1.920 234 1HB MET 28 HB2 MET 28 18.225 -0.175 0.544 235 2HB MET 28 HB1 MET 28 19.088 -1.707 0.677 236 1HG MET 28 HG2 MET 28 17.265 -2.887 -0.419 237 2HG MET 28 HG1 MET 28 16.285 -1.421 -0.443 238 1HE MET 28 HE1 MET 28 15.829 -1.785 -2.840 239 2HE MET 28 HE2 MET 28 16.901 -3.160 -3.094 240 3HE MET 28 HE3 MET 28 16.996 -1.768 -4.168 241 HA PRO 29 HA PRO 29 19.432 -1.066 5.590 242 1HB PRO 29 HB2 PRO 29 18.066 -2.424 7.532 243 2HB PRO 29 HB1 PRO 29 17.670 -0.767 7.045 244 1HG PRO 29 HG2 PRO 29 16.334 -3.320 6.334 245 2HG PRO 29 HG1 PRO 29 15.633 -1.721 6.625 246 1HD PRO 29 HD2 PRO 29 16.035 -2.809 4.133 247 2HD PRO 29 HD1 PRO 29 15.915 -1.068 4.463 248 H GLN 30 HN GLN 30 20.410 -2.710 7.293 249 HA GLN 30 HA GLN 30 21.515 -4.966 5.798 250 1HB GLN 30 HB2 GLN 30 21.846 -3.646 8.460 251 2HB GLN 30 HB1 GLN 30 22.429 -5.303 8.302 252 1HG GLN 30 HG2 GLN 30 23.140 -3.363 6.140 253 2HG GLN 30 HG1 GLN 30 23.985 -3.227 7.681 254 1HE2 GLN 30 HE21 GLN 30 25.815 -4.537 7.851 255 2HE2 GLN 30 HE22 GLN 30 26.078 -5.959 6.963 256 H LEU 31 HN LEU 31 18.973 -4.533 8.201 257 HA LEU 31 HA LEU 31 18.297 -7.429 7.951 258 1HB LEU 31 HB2 LEU 31 19.693 -6.491 10.070 259 2HB LEU 31 HB1 LEU 31 18.057 -6.152 10.632 260 HG LEU 31 HG LEU 31 17.521 -8.584 9.927 261 1HD1 LEU 31 HD11 LEU 31 19.585 -8.967 8.644 262 2HD1 LEU 31 HD12 LEU 31 19.485 -10.096 9.995 263 3HD1 LEU 31 HD13 LEU 31 20.550 -8.695 10.095 264 1HD2 LEU 31 HD21 LEU 31 18.319 -9.435 12.099 265 2HD2 LEU 31 HD22 LEU 31 17.678 -7.803 12.275 266 3HD2 LEU 31 HD23 LEU 31 19.421 -8.066 12.238 Start of MODEL 25 1 1H SER 1 HT1 SER 1 -17.031 0.751 -6.896 2 2H SER 1 HT2 SER 1 -17.894 -0.492 -7.666 3 3H SER 1 HT3 SER 1 -16.262 -0.717 -7.256 4 HA SER 1 HA SER 1 -17.733 -1.887 -5.700 5 1HB SER 1 HB2 SER 1 -15.793 0.262 -5.097 6 2HB SER 1 HB1 SER 1 -16.768 -0.248 -3.723 7 HG SER 1 HG SER 1 -14.700 -1.437 -4.348 8 H GLY 2 HN GLY 2 -17.928 1.644 -5.006 9 1HA GLY 2 HA2 GLY 2 -20.789 1.761 -5.100 10 2HA GLY 2 HA1 GLY 2 -20.275 1.511 -3.434 11 H SER 3 HN SER 3 -18.762 3.131 -2.516 12 HA SER 3 HA SER 3 -19.356 5.854 -3.584 13 1HB SER 3 HB2 SER 3 -19.902 5.143 -1.226 14 2HB SER 3 HB1 SER 3 -18.174 4.968 -0.932 15 HG SER 3 HG SER 3 -19.288 7.073 -0.425 16 H TRP 4 HN TRP 4 -17.505 7.480 -3.243 17 HA TRP 4 HA TRP 4 -15.128 6.566 -4.654 18 1HB TRP 4 HB2 TRP 4 -16.492 8.920 -4.348 19 2HB TRP 4 HB1 TRP 4 -15.112 9.189 -3.283 20 HD1 TRP 4 HD1 TRP 4 -15.921 8.263 -6.928 21 HE1 TRP 4 HE1 TRP 4 -13.919 8.937 -8.403 22 HE3 TRP 4 HE3 TRP 4 -12.636 9.779 -3.323 23 HZ2 TRP 4 HZ2 TRP 4 -11.273 9.983 -8.096 24 HZ3 TRP 4 HZ3 TRP 4 -10.386 10.608 -3.941 25 HH2 TRP 4 HH2 TRP 4 -9.701 10.712 -6.321 26 H LEU 5 HN LEU 5 -15.987 6.414 -1.370 27 HA LEU 5 HA LEU 5 -13.140 6.590 -0.468 28 1HB LEU 5 HB2 LEU 5 -15.786 7.246 0.633 29 2HB LEU 5 HB1 LEU 5 -14.770 6.349 1.761 30 HG LEU 5 HG LEU 5 -13.764 8.763 0.241 31 1HD1 LEU 5 HD11 LEU 5 -14.088 9.863 2.576 32 2HD1 LEU 5 HD12 LEU 5 -15.250 8.567 2.857 33 3HD1 LEU 5 HD13 LEU 5 -15.498 9.702 1.531 34 1HD2 LEU 5 HD21 LEU 5 -12.829 7.225 2.683 35 2HD2 LEU 5 HD22 LEU 5 -12.135 8.765 2.175 36 3HD2 LEU 5 HD23 LEU 5 -12.009 7.352 1.127 37 H ARG 6 HN ARG 6 -15.900 4.420 -0.799 38 HA ARG 6 HA ARG 6 -14.814 2.308 0.895 39 1HB ARG 6 HB2 ARG 6 -17.262 2.887 0.113 40 2HB ARG 6 HB1 ARG 6 -16.839 1.913 -1.296 41 1HG ARG 6 HG2 ARG 6 -16.551 -0.037 -0.024 42 2HG ARG 6 HG1 ARG 6 -16.308 0.862 1.473 43 1HD ARG 6 HD2 ARG 6 -18.771 1.661 1.139 44 2HD ARG 6 HD1 ARG 6 -18.894 0.277 0.033 45 HE ARG 6 HE ARG 6 -18.241 -1.192 1.910 46 1HH1 ARG 6 HH11 ARG 6 -20.716 0.182 2.882 47 2HH1 ARG 6 HH12 ARG 6 -20.237 0.739 4.450 48 1HH2 ARG 6 HH21 ARG 6 -16.837 0.353 3.835 49 2HH2 ARG 6 HH22 ARG 6 -18.032 0.837 4.992 50 H ASP 7 HN ASP 7 -14.892 2.970 -2.623 51 HA ASP 7 HA ASP 7 -13.677 0.495 -3.446 52 1HB ASP 7 HB2 ASP 7 -13.550 1.563 -5.569 53 2HB ASP 7 HB1 ASP 7 -14.950 2.297 -4.792 54 H ILE 8 HN ILE 8 -12.332 3.569 -2.301 55 HA ILE 8 HA ILE 8 -9.578 2.964 -3.036 56 HB ILE 8 HB ILE 8 -10.939 4.935 -1.173 57 1HG1 ILE 8 HG12 ILE 8 -9.498 5.263 -3.828 58 2HG1 ILE 8 HG11 ILE 8 -11.248 5.248 -3.618 59 1HG2 ILE 8 HG21 ILE 8 -8.622 6.079 -1.265 60 2HG2 ILE 8 HG22 ILE 8 -8.005 4.500 -1.751 61 3HG2 ILE 8 HG23 ILE 8 -8.797 4.695 -0.188 62 1HD1 ILE 8 HD11 ILE 8 -10.855 7.179 -1.932 63 2HD1 ILE 8 HD12 ILE 8 -10.714 7.547 -3.651 64 3HD1 ILE 8 HD13 ILE 8 -9.262 7.314 -2.677 65 H TRP 9 HN TRP 9 -11.618 2.428 -0.178 66 HA TRP 9 HA TRP 9 -9.693 1.790 1.782 67 1HB TRP 9 HB2 TRP 9 -11.956 1.919 2.435 68 2HB TRP 9 HB1 TRP 9 -12.487 0.857 1.134 69 HD1 TRP 9 HD1 TRP 9 -12.897 -1.564 1.776 70 HE1 TRP 9 HE1 TRP 9 -12.243 -3.087 3.749 71 HE3 TRP 9 HE3 TRP 9 -9.815 1.596 4.343 72 HZ2 TRP 9 HZ2 TRP 9 -10.625 -2.980 6.107 73 HZ3 TRP 9 HZ3 TRP 9 -8.731 0.861 6.446 74 HH2 TRP 9 HH2 TRP 9 -9.132 -1.421 7.330 75 H ASP 10 HN ASP 10 -11.255 -0.482 -0.533 76 HA ASP 10 HA ASP 10 -9.735 -2.794 0.195 77 1HB ASP 10 HB2 ASP 10 -11.871 -2.521 -1.232 78 2HB ASP 10 HB1 ASP 10 -10.784 -2.144 -2.569 79 H TRP 11 HN TRP 11 -9.153 -0.253 -2.250 80 HA TRP 11 HA TRP 11 -6.822 -1.369 -3.462 81 1HB TRP 11 HB2 TRP 11 -8.216 0.585 -4.234 82 2HB TRP 11 HB1 TRP 11 -7.497 1.547 -2.942 83 HD1 TRP 11 HD1 TRP 11 -6.326 -0.587 -5.948 84 HE1 TRP 11 HE1 TRP 11 -4.196 0.495 -6.916 85 HE3 TRP 11 HE3 TRP 11 -5.693 3.238 -2.627 86 HZ2 TRP 11 HZ2 TRP 11 -2.454 2.694 -6.355 87 HZ3 TRP 11 HZ3 TRP 11 -3.794 4.811 -2.867 88 HH2 TRP 11 HH2 TRP 11 -2.173 4.544 -4.726 89 H ILE 12 HN ILE 12 -7.227 0.656 -0.550 90 HA ILE 12 HA ILE 12 -4.447 1.106 0.000 91 HB ILE 12 HB ILE 12 -6.938 0.915 1.727 92 1HG1 ILE 12 HG12 ILE 12 -5.370 3.410 1.141 93 2HG1 ILE 12 HG11 ILE 12 -6.447 2.767 -0.099 94 1HG2 ILE 12 HG21 ILE 12 -4.079 1.497 2.448 95 2HG2 ILE 12 HG22 ILE 12 -5.286 0.574 3.342 96 3HG2 ILE 12 HG23 ILE 12 -5.373 2.334 3.305 97 1HD1 ILE 12 HD11 ILE 12 -8.358 3.004 1.275 98 2HD1 ILE 12 HD12 ILE 12 -7.440 4.482 1.558 99 3HD1 ILE 12 HD13 ILE 12 -7.390 3.173 2.739 100 H CYS 13 HN CYS 13 -6.663 -1.566 0.785 101 HA CYS 13 HA CYS 13 -4.941 -3.039 2.545 102 1HB CYS 13 HB2 CYS 13 -7.448 -3.302 2.001 103 2HB CYS 13 HB1 CYS 13 -6.931 -4.182 0.563 104 HG CYS 13 HG CYS 13 -6.837 -5.245 3.428 105 H GLU 14 HN GLU 14 -5.301 -2.994 -1.007 106 HA GLU 14 HA GLU 14 -3.402 -5.127 -1.520 107 1HB GLU 14 HB2 GLU 14 -4.867 -2.989 -3.025 108 2HB GLU 14 HB1 GLU 14 -3.521 -3.796 -3.824 109 1HG GLU 14 HG2 GLU 14 -4.575 -5.877 -3.802 110 2HG GLU 14 HG1 GLU 14 -5.605 -5.450 -2.436 111 H VAL 15 HN VAL 15 -3.258 -1.577 -1.586 112 HA VAL 15 HA VAL 15 -0.500 -1.326 -2.353 113 HB VAL 15 HB VAL 15 -2.448 0.448 -0.846 114 1HG1 VAL 15 HG11 VAL 15 0.343 1.032 -1.873 115 2HG1 VAL 15 HG12 VAL 15 -0.262 1.236 -0.229 116 3HG1 VAL 15 HG13 VAL 15 -0.834 2.297 -1.516 117 1HG2 VAL 15 HG21 VAL 15 -1.387 0.765 -3.658 118 2HG2 VAL 15 HG22 VAL 15 -2.833 1.482 -2.945 119 3HG2 VAL 15 HG23 VAL 15 -2.794 -0.242 -3.315 120 H LEU 16 HN LEU 16 -2.058 -1.964 0.751 121 HA LEU 16 HA LEU 16 -0.034 -1.184 2.573 122 1HB LEU 16 HB2 LEU 16 -2.344 -2.023 3.080 123 2HB LEU 16 HB1 LEU 16 -1.815 -3.648 2.649 124 HG LEU 16 HG LEU 16 -0.007 -2.365 4.561 125 1HD1 LEU 16 HD11 LEU 16 -2.088 -1.286 5.315 126 2HD1 LEU 16 HD12 LEU 16 -1.561 -2.497 6.482 127 3HD1 LEU 16 HD13 LEU 16 -2.888 -2.856 5.378 128 1HD2 LEU 16 HD21 LEU 16 -0.569 -4.547 5.781 129 2HD2 LEU 16 HD22 LEU 16 0.144 -4.721 4.177 130 3HD2 LEU 16 HD23 LEU 16 -1.592 -4.940 4.398 131 H SER 17 HN SER 17 -0.387 -4.251 0.746 132 HA SER 17 HA SER 17 1.952 -5.551 1.810 133 1HB SER 17 HB2 SER 17 0.095 -6.657 0.575 134 2HB SER 17 HB1 SER 17 0.572 -5.804 -0.890 135 HG SER 17 HG SER 17 1.934 -7.824 0.541 136 H ASP 18 HN ASP 18 1.416 -3.417 -0.994 137 HA ASP 18 HA ASP 18 4.116 -3.569 -2.029 138 1HB ASP 18 HB2 ASP 18 2.277 -2.874 -3.434 139 2HB ASP 18 HB1 ASP 18 1.827 -1.595 -2.305 140 H PHE 19 HN PHE 19 2.455 -1.405 0.271 141 HA PHE 19 HA PHE 19 4.307 0.675 0.561 142 1HB PHE 19 HB2 PHE 19 2.082 -0.409 1.920 143 2HB PHE 19 HB1 PHE 19 3.354 -0.276 3.131 144 HD1 PHE 19 HD1 PHE 19 2.068 1.734 0.224 145 HD2 PHE 19 HD2 PHE 19 3.444 1.738 4.294 146 HE1 PHE 19 HE1 PHE 19 1.694 4.182 0.349 147 HE2 PHE 19 HE2 PHE 19 3.071 4.185 4.418 148 HZ PHE 19 HZ PHE 19 2.195 5.407 2.445 149 H LYS 20 HN LYS 20 4.423 -2.578 2.036 150 HA LYS 20 HA LYS 20 6.747 -2.220 3.659 151 1HB LYS 20 HB2 LYS 20 5.160 -4.136 3.726 152 2HB LYS 20 HB1 LYS 20 5.751 -4.665 2.150 153 1HG LYS 20 HG2 LYS 20 7.920 -4.211 4.063 154 2HG LYS 20 HG1 LYS 20 6.782 -5.442 4.613 155 1HD LYS 20 HD2 LYS 20 6.998 -6.305 2.120 156 2HD LYS 20 HD1 LYS 20 8.530 -5.430 2.177 157 1HE LYS 20 HE2 LYS 20 9.170 -6.700 4.218 158 2HE LYS 20 HE1 LYS 20 7.653 -7.614 4.105 159 1HZ LYS 20 HZ1 LYS 20 8.354 -8.073 1.718 160 2HZ LYS 20 HZ2 LYS 20 9.200 -8.902 2.935 161 3HZ LYS 20 HZ3 LYS 20 9.902 -7.553 2.178 162 H THR 21 HN THR 21 6.393 -3.224 0.244 163 HA THR 21 HA THR 21 9.279 -3.489 -0.189 164 HB THR 21 HB THR 21 7.097 -3.173 -2.267 165 HG1 THR 21 HG1 THR 21 7.745 -5.451 -0.706 166 1HG2 THR 21 HG21 THR 21 9.763 -3.528 -2.575 167 2HG2 THR 21 HG22 THR 21 8.567 -4.147 -3.714 168 3HG2 THR 21 HG23 THR 21 9.240 -5.210 -2.478 169 H TRP 22 HN TRP 22 6.759 -1.079 -0.931 170 HA TRP 22 HA TRP 22 8.223 0.759 -2.502 171 1HB TRP 22 HB2 TRP 22 5.733 0.617 -1.617 172 2HB TRP 22 HB1 TRP 22 6.344 1.644 -0.323 173 HD1 TRP 22 HD1 TRP 22 5.436 1.666 -3.986 174 HE1 TRP 22 HE1 TRP 22 5.644 4.068 -4.902 175 HE3 TRP 22 HE3 TRP 22 7.721 3.926 -0.019 176 HZ2 TRP 22 HZ2 TRP 22 6.650 6.611 -4.061 177 HZ3 TRP 22 HZ3 TRP 22 8.292 6.335 -0.101 178 HH2 TRP 22 HH2 TRP 22 7.759 7.680 -2.115 179 H LEU 23 HN LEU 23 7.885 0.630 1.057 180 HA LEU 23 HA LEU 23 9.618 2.833 1.657 181 1HB LEU 23 HB2 LEU 23 8.362 0.526 3.034 182 2HB LEU 23 HB1 LEU 23 9.806 1.164 3.820 183 HG LEU 23 HG LEU 23 7.994 3.272 2.882 184 1HD1 LEU 23 HD11 LEU 23 6.556 2.696 5.069 185 2HD1 LEU 23 HD12 LEU 23 6.982 1.050 4.597 186 3HD1 LEU 23 HD13 LEU 23 6.108 2.091 3.474 187 1HD2 LEU 23 HD21 LEU 23 8.372 4.036 5.241 188 2HD2 LEU 23 HD22 LEU 23 9.872 3.714 4.371 189 3HD2 LEU 23 HD23 LEU 23 9.263 2.544 5.542 190 H LYS 24 HN LYS 24 10.279 -0.685 1.372 191 HA LYS 24 HA LYS 24 13.077 -0.543 2.046 192 1HB LYS 24 HB2 LYS 24 11.505 -2.552 1.966 193 2HB LYS 24 HB1 LYS 24 11.680 -2.513 0.212 194 1HG LYS 24 HG2 LYS 24 14.303 -2.356 1.215 195 2HG LYS 24 HG1 LYS 24 13.501 -3.577 2.203 196 1HD LYS 24 HD2 LYS 24 13.092 -3.647 -0.764 197 2HD LYS 24 HD1 LYS 24 14.622 -4.235 -0.112 198 1HE LYS 24 HE2 LYS 24 12.101 -5.181 1.208 199 2HE LYS 24 HE1 LYS 24 12.534 -5.881 -0.363 200 1HZ LYS 24 HZ1 LYS 24 14.519 -5.585 1.818 201 2HZ LYS 24 HZ2 LYS 24 14.616 -6.560 0.429 202 3HZ LYS 24 HZ3 LYS 24 13.547 -6.969 1.684 203 H ALA 25 HN ALA 25 11.293 -0.216 -1.015 204 HA ALA 25 HA ALA 25 13.427 -0.325 -2.877 205 1HB ALA 25 HB1 ALA 25 11.845 0.608 -4.347 206 2HB ALA 25 HB2 ALA 25 11.148 1.635 -3.095 207 3HB ALA 25 HB3 ALA 25 10.820 -0.098 -3.098 208 H LYS 26 HN LYS 26 12.366 2.344 -0.779 209 HA LYS 26 HA LYS 26 14.433 4.142 -1.952 210 1HB LYS 26 HB2 LYS 26 12.044 4.855 -1.572 211 2HB LYS 26 HB1 LYS 26 12.309 4.648 0.160 212 1HG LYS 26 HG2 LYS 26 12.685 6.965 -0.261 213 2HG LYS 26 HG1 LYS 26 14.289 6.252 -0.100 214 1HD LYS 26 HD2 LYS 26 14.209 5.960 -2.668 215 2HD LYS 26 HD1 LYS 26 12.862 7.098 -2.621 216 1HE LYS 26 HE2 LYS 26 14.290 8.771 -1.496 217 2HE LYS 26 HE1 LYS 26 15.649 7.630 -1.521 218 1HZ LYS 26 HZ1 LYS 26 15.706 9.117 -3.446 219 2HZ LYS 26 HZ2 LYS 26 14.160 8.592 -3.913 220 3HZ LYS 26 HZ3 LYS 26 15.469 7.508 -3.928 221 H LEU 27 HN LEU 27 13.807 2.160 0.868 222 HA LEU 27 HA LEU 27 15.510 3.468 2.771 223 1HB LEU 27 HB2 LEU 27 13.754 1.375 2.750 224 2HB LEU 27 HB1 LEU 27 15.287 0.511 2.823 225 HG LEU 27 HG LEU 27 15.852 2.279 4.699 226 1HD1 LEU 27 HD11 LEU 27 13.697 2.730 6.005 227 2HD1 LEU 27 HD12 LEU 27 12.831 2.311 4.527 228 3HD1 LEU 27 HD13 LEU 27 13.932 3.689 4.544 229 1HD2 LEU 27 HD21 LEU 27 15.763 -0.075 5.182 230 2HD2 LEU 27 HD22 LEU 27 14.009 -0.109 4.994 231 3HD2 LEU 27 HD23 LEU 27 14.733 0.721 6.372 232 H MET 28 HN MET 28 16.164 0.742 0.510 233 HA MET 28 HA MET 28 19.061 0.961 1.164 234 1HB MET 28 HB2 MET 28 17.199 -1.093 0.097 235 2HB MET 28 HB1 MET 28 18.840 -1.138 -0.549 236 1HG MET 28 HG2 MET 28 19.701 -1.888 1.406 237 2HG MET 28 HG1 MET 28 18.756 -0.744 2.357 238 1HE MET 28 HE1 MET 28 15.554 -2.386 3.247 239 2HE MET 28 HE2 MET 28 15.826 -1.166 2.006 240 3HE MET 28 HE3 MET 28 16.749 -1.108 3.506 241 HA PRO 29 HA PRO 29 19.319 1.826 -3.437 242 1HB PRO 29 HB2 PRO 29 17.269 1.218 -5.142 243 2HB PRO 29 HB1 PRO 29 18.475 0.031 -4.620 244 1HG PRO 29 HG2 PRO 29 15.661 0.305 -3.844 245 2HG PRO 29 HG1 PRO 29 16.714 -1.113 -3.796 246 1HD PRO 29 HD2 PRO 29 15.959 0.556 -1.623 247 2HD PRO 29 HD1 PRO 29 17.105 -0.797 -1.609 248 H GLN 30 HN GLN 30 17.795 3.110 -5.384 249 HA GLN 30 HA GLN 30 16.736 5.464 -3.886 250 1HB GLN 30 HB2 GLN 30 17.807 4.931 -6.660 251 2HB GLN 30 HB1 GLN 30 16.943 6.424 -6.295 252 1HG GLN 30 HG2 GLN 30 18.632 7.242 -4.977 253 2HG GLN 30 HG1 GLN 30 19.077 5.645 -4.378 254 1HE2 GLN 30 HE21 GLN 30 20.021 8.115 -6.544 255 2HE2 GLN 30 HE22 GLN 30 21.140 7.216 -7.448 256 H LEU 31 HN LEU 31 15.839 3.162 -6.461 257 HA LEU 31 HA LEU 31 12.968 3.731 -5.934 258 1HB LEU 31 HB2 LEU 31 14.284 5.071 -7.906 259 2HB LEU 31 HB1 LEU 31 13.782 3.631 -8.793 260 HG LEU 31 HG LEU 31 11.450 4.069 -7.703 261 1HD1 LEU 31 HD11 LEU 31 12.084 5.789 -6.130 262 2HD1 LEU 31 HD12 LEU 31 11.081 6.546 -7.367 263 3HD1 LEU 31 HD13 LEU 31 12.832 6.750 -7.406 264 1HD2 LEU 31 HD21 LEU 31 12.013 4.307 -10.124 265 2HD2 LEU 31 HD22 LEU 31 12.519 5.968 -9.817 266 3HD2 LEU 31 HD23 LEU 31 10.834 5.504 -9.589 Start of MODEL 26 1 1H SER 1 HT1 SER 1 -22.595 5.176 -9.695 2 2H SER 1 HT2 SER 1 -21.559 4.887 -8.380 3 3H SER 1 HT3 SER 1 -22.624 6.210 -8.352 4 HA SER 1 HA SER 1 -24.511 4.554 -8.486 5 1HB SER 1 HB2 SER 1 -22.808 2.829 -9.326 6 2HB SER 1 HB1 SER 1 -22.290 2.670 -7.650 7 HG SER 1 HG SER 1 -23.908 1.151 -8.187 8 H GLY 2 HN GLY 2 -21.746 4.054 -6.223 9 1HA GLY 2 HA2 GLY 2 -23.501 5.118 -4.044 10 2HA GLY 2 HA1 GLY 2 -22.478 3.702 -3.800 11 H SER 3 HN SER 3 -21.140 4.610 -2.201 12 HA SER 3 HA SER 3 -19.858 7.218 -2.587 13 1HB SER 3 HB2 SER 3 -18.634 6.371 -0.469 14 2HB SER 3 HB1 SER 3 -20.374 6.605 -0.356 15 HG SER 3 HG SER 3 -20.558 4.550 0.018 16 H TRP 4 HN TRP 4 -17.549 7.518 -2.852 17 HA TRP 4 HA TRP 4 -16.266 5.351 -4.445 18 1HB TRP 4 HB2 TRP 4 -16.531 8.132 -4.681 19 2HB TRP 4 HB1 TRP 4 -14.845 7.888 -4.227 20 HD1 TRP 4 HD1 TRP 4 -17.375 7.026 -6.954 21 HE1 TRP 4 HE1 TRP 4 -16.100 6.208 -9.040 22 HE3 TRP 4 HE3 TRP 4 -12.642 6.800 -5.060 23 HZ2 TRP 4 HZ2 TRP 4 -13.423 5.547 -9.803 24 HZ3 TRP 4 HZ3 TRP 4 -10.749 6.074 -6.484 25 HH2 TRP 4 HH2 TRP 4 -11.133 5.448 -8.851 26 H LEU 5 HN LEU 5 -15.984 7.007 -1.367 27 HA LEU 5 HA LEU 5 -13.242 6.575 -0.748 28 1HB LEU 5 HB2 LEU 5 -15.570 7.528 0.493 29 2HB LEU 5 HB1 LEU 5 -15.073 6.165 1.493 30 HG LEU 5 HG LEU 5 -14.000 8.194 2.315 31 1HD1 LEU 5 HD11 LEU 5 -12.732 5.917 2.048 32 2HD1 LEU 5 HD12 LEU 5 -11.818 7.362 2.478 33 3HD1 LEU 5 HD13 LEU 5 -11.810 6.776 0.814 34 1HD2 LEU 5 HD21 LEU 5 -14.125 9.326 0.014 35 2HD2 LEU 5 HD22 LEU 5 -12.642 8.455 -0.377 36 3HD2 LEU 5 HD23 LEU 5 -12.659 9.617 0.949 37 H ARG 6 HN ARG 6 -16.066 4.420 -0.419 38 HA ARG 6 HA ARG 6 -14.791 2.265 0.963 39 1HB ARG 6 HB2 ARG 6 -17.296 2.898 -0.086 40 2HB ARG 6 HB1 ARG 6 -16.797 1.503 -1.042 41 1HG ARG 6 HG2 ARG 6 -17.441 0.206 0.686 42 2HG ARG 6 HG1 ARG 6 -16.070 0.853 1.587 43 1HD ARG 6 HD2 ARG 6 -18.701 2.345 1.463 44 2HD ARG 6 HD1 ARG 6 -18.392 1.103 2.692 45 HE ARG 6 HE ARG 6 -16.164 2.543 3.008 46 1HH1 ARG 6 HH11 ARG 6 -17.617 4.699 1.319 47 2HH1 ARG 6 HH12 ARG 6 -18.195 5.740 2.575 48 1HH2 ARG 6 HH21 ARG 6 -17.681 3.412 5.103 49 2HH2 ARG 6 HH22 ARG 6 -18.233 5.009 4.726 50 H ASP 7 HN ASP 7 -15.060 3.019 -2.516 51 HA ASP 7 HA ASP 7 -13.852 0.628 -3.533 52 1HB ASP 7 HB2 ASP 7 -15.101 2.134 -4.949 53 2HB ASP 7 HB1 ASP 7 -14.057 3.490 -4.523 54 H ILE 8 HN ILE 8 -12.466 3.768 -2.541 55 HA ILE 8 HA ILE 8 -9.744 3.187 -3.285 56 HB ILE 8 HB ILE 8 -10.958 5.034 -1.194 57 1HG1 ILE 8 HG12 ILE 8 -9.861 5.982 -3.807 58 2HG1 ILE 8 HG11 ILE 8 -11.414 5.147 -3.843 59 1HG2 ILE 8 HG21 ILE 8 -8.729 5.070 -0.573 60 2HG2 ILE 8 HG22 ILE 8 -8.691 6.274 -1.861 61 3HG2 ILE 8 HG23 ILE 8 -8.163 4.622 -2.182 62 1HD1 ILE 8 HD11 ILE 8 -10.906 7.352 -1.855 63 2HD1 ILE 8 HD12 ILE 8 -12.446 6.745 -2.459 64 3HD1 ILE 8 HD13 ILE 8 -11.416 7.725 -3.501 65 H TRP 9 HN TRP 9 -11.659 2.536 -0.362 66 HA TRP 9 HA TRP 9 -9.593 1.840 1.455 67 1HB TRP 9 HB2 TRP 9 -12.078 2.113 1.865 68 2HB TRP 9 HB1 TRP 9 -12.308 0.521 1.142 69 HD1 TRP 9 HD1 TRP 9 -12.677 -1.152 3.017 70 HE1 TRP 9 HE1 TRP 9 -11.566 -1.658 5.286 71 HE3 TRP 9 HE3 TRP 9 -9.298 2.672 3.221 72 HZ2 TRP 9 HZ2 TRP 9 -9.516 -0.584 6.968 73 HZ3 TRP 9 HZ3 TRP 9 -7.781 2.907 5.166 74 HH2 TRP 9 HH2 TRP 9 -7.886 1.285 7.039 75 H ASP 10 HN ASP 10 -11.221 -0.146 -1.032 76 HA ASP 10 HA ASP 10 -9.996 -2.659 -0.409 77 1HB ASP 10 HB2 ASP 10 -11.942 -2.297 -1.907 78 2HB ASP 10 HB1 ASP 10 -10.895 -1.474 -3.063 79 H TRP 11 HN TRP 11 -8.981 0.001 -2.570 80 HA TRP 11 HA TRP 11 -6.580 -1.274 -3.544 81 1HB TRP 11 HB2 TRP 11 -7.663 0.585 -4.694 82 2HB TRP 11 HB1 TRP 11 -7.470 1.621 -3.281 83 HD1 TRP 11 HD1 TRP 11 -5.457 -0.038 -6.083 84 HE1 TRP 11 HE1 TRP 11 -3.180 1.155 -6.278 85 HE3 TRP 11 HE3 TRP 11 -5.725 3.046 -2.024 86 HZ2 TRP 11 HZ2 TRP 11 -1.671 3.156 -4.896 87 HZ3 TRP 11 HZ3 TRP 11 -3.858 4.583 -1.485 88 HH2 TRP 11 HH2 TRP 11 -1.833 4.642 -2.914 89 H ILE 12 HN ILE 12 -7.266 0.868 -0.771 90 HA ILE 12 HA ILE 12 -4.568 1.345 0.055 91 HB ILE 12 HB ILE 12 -7.249 1.205 1.464 92 1HG1 ILE 12 HG12 ILE 12 -5.483 3.613 1.021 93 2HG1 ILE 12 HG11 ILE 12 -6.552 3.031 -0.256 94 1HG2 ILE 12 HG21 ILE 12 -4.506 1.673 2.593 95 2HG2 ILE 12 HG22 ILE 12 -5.876 0.820 3.306 96 3HG2 ILE 12 HG23 ILE 12 -5.868 2.583 3.249 97 1HD1 ILE 12 HD11 ILE 12 -7.553 3.587 2.542 98 2HD1 ILE 12 HD12 ILE 12 -8.498 3.392 1.065 99 3HD1 ILE 12 HD13 ILE 12 -7.510 4.835 1.296 100 H CYS 13 HN CYS 13 -6.787 -1.366 0.655 101 HA CYS 13 HA CYS 13 -5.085 -2.720 2.592 102 1HB CYS 13 HB2 CYS 13 -7.565 -2.969 2.346 103 2HB CYS 13 HB1 CYS 13 -7.305 -3.753 0.788 104 HG CYS 13 HG CYS 13 -6.116 -5.724 2.023 105 H GLU 14 HN GLU 14 -5.432 -2.786 -0.945 106 HA GLU 14 HA GLU 14 -3.830 -5.161 -1.382 107 1HB GLU 14 HB2 GLU 14 -5.374 -3.290 -2.859 108 2HB GLU 14 HB1 GLU 14 -3.758 -3.271 -3.563 109 1HG GLU 14 HG2 GLU 14 -5.141 -5.882 -2.952 110 2HG GLU 14 HG1 GLU 14 -5.456 -5.023 -4.460 111 H VAL 15 HN VAL 15 -3.136 -1.696 -1.216 112 HA VAL 15 HA VAL 15 -0.324 -1.970 -1.976 113 HB VAL 15 HB VAL 15 -1.861 0.280 -0.627 114 1HG1 VAL 15 HG11 VAL 15 0.929 -0.050 -1.444 115 2HG1 VAL 15 HG12 VAL 15 0.193 1.214 -0.459 116 3HG1 VAL 15 HG13 VAL 15 0.167 1.339 -2.217 117 1HG2 VAL 15 HG21 VAL 15 -1.897 -0.786 -3.334 118 2HG2 VAL 15 HG22 VAL 15 -1.347 0.890 -3.321 119 3HG2 VAL 15 HG23 VAL 15 -2.908 0.468 -2.618 120 H LEU 16 HN LEU 16 -2.106 -2.367 0.982 121 HA LEU 16 HA LEU 16 -0.379 -1.569 3.021 122 1HB LEU 16 HB2 LEU 16 -2.588 -2.546 3.362 123 2HB LEU 16 HB1 LEU 16 -2.041 -4.095 2.728 124 HG LEU 16 HG LEU 16 -0.303 -3.188 4.874 125 1HD1 LEU 16 HD11 LEU 16 -2.470 -2.068 5.555 126 2HD1 LEU 16 HD12 LEU 16 -1.863 -3.255 6.711 127 3HD1 LEU 16 HD13 LEU 16 -3.196 -3.674 5.634 128 1HD2 LEU 16 HD21 LEU 16 -0.385 -5.496 4.120 129 2HD2 LEU 16 HD22 LEU 16 -2.115 -5.585 4.450 130 3HD2 LEU 16 HD23 LEU 16 -0.969 -5.439 5.783 131 H SER 17 HN SER 17 -0.208 -4.654 1.185 132 HA SER 17 HA SER 17 2.205 -5.574 2.532 133 1HB SER 17 HB2 SER 17 2.149 -7.229 0.617 134 2HB SER 17 HB1 SER 17 0.641 -7.131 1.519 135 HG SER 17 HG SER 17 1.226 -6.397 -1.078 136 H ASP 18 HN ASP 18 1.502 -3.934 -0.553 137 HA ASP 18 HA ASP 18 4.115 -3.940 -1.682 138 1HB ASP 18 HB2 ASP 18 2.228 -3.331 -3.009 139 2HB ASP 18 HB1 ASP 18 1.706 -2.114 -1.847 140 H PHE 19 HN PHE 19 2.628 -1.783 0.728 141 HA PHE 19 HA PHE 19 4.440 0.359 0.775 142 1HB PHE 19 HB2 PHE 19 2.391 -0.778 2.384 143 2HB PHE 19 HB1 PHE 19 3.762 -0.482 3.449 144 HD1 PHE 19 HD1 PHE 19 1.810 1.173 0.711 145 HD2 PHE 19 HD2 PHE 19 4.094 1.669 4.314 146 HE1 PHE 19 HE1 PHE 19 1.292 3.598 0.705 147 HE2 PHE 19 HE2 PHE 19 3.576 4.095 4.308 148 HZ PHE 19 HZ PHE 19 2.175 5.059 2.504 149 H LYS 20 HN LYS 20 4.798 -2.870 2.252 150 HA LYS 20 HA LYS 20 7.201 -2.407 3.723 151 1HB LYS 20 HB2 LYS 20 5.681 -4.387 3.861 152 2HB LYS 20 HB1 LYS 20 6.257 -4.907 2.277 153 1HG LYS 20 HG2 LYS 20 8.620 -4.500 3.631 154 2HG LYS 20 HG1 LYS 20 7.567 -5.108 4.909 155 1HD LYS 20 HD2 LYS 20 7.785 -6.464 2.214 156 2HD LYS 20 HD1 LYS 20 8.837 -6.877 3.568 157 1HE LYS 20 HE2 LYS 20 6.696 -7.229 4.944 158 2HE LYS 20 HE1 LYS 20 5.827 -7.176 3.398 159 1HZ LYS 20 HZ1 LYS 20 7.359 -8.882 2.552 160 2HZ LYS 20 HZ2 LYS 20 6.466 -9.438 3.886 161 3HZ LYS 20 HZ3 LYS 20 8.090 -8.981 4.080 162 H THR 21 HN THR 21 6.707 -3.455 0.330 163 HA THR 21 HA THR 21 9.607 -3.515 -0.188 164 HB THR 21 HB THR 21 8.218 -3.665 -2.614 165 HG1 THR 21 HG1 THR 21 6.361 -4.666 -2.245 166 1HG2 THR 21 HG21 THR 21 8.633 -6.092 -2.397 167 2HG2 THR 21 HG22 THR 21 8.953 -5.874 -0.676 168 3HG2 THR 21 HG23 THR 21 10.026 -5.145 -1.871 169 H TRP 22 HN TRP 22 6.833 -1.428 -1.027 170 HA TRP 22 HA TRP 22 8.144 0.346 -2.825 171 1HB TRP 22 HB2 TRP 22 5.649 0.047 -1.829 172 2HB TRP 22 HB1 TRP 22 6.173 1.423 -0.861 173 HD1 TRP 22 HD1 TRP 22 5.293 0.405 -4.403 174 HE1 TRP 22 HE1 TRP 22 5.210 2.508 -5.892 175 HE3 TRP 22 HE3 TRP 22 7.196 3.861 -1.159 176 HZ2 TRP 22 HZ2 TRP 22 5.864 5.287 -5.730 177 HZ3 TRP 22 HZ3 TRP 22 7.455 6.226 -1.853 178 HH2 TRP 22 HH2 TRP 22 6.792 6.943 -4.131 179 H LEU 23 HN LEU 23 7.720 0.624 0.725 180 HA LEU 23 HA LEU 23 9.245 3.031 1.054 181 1HB LEU 23 HB2 LEU 23 8.234 0.781 2.741 182 2HB LEU 23 HB1 LEU 23 9.486 1.800 3.443 183 HG LEU 23 HG LEU 23 7.216 2.631 3.993 184 1HD1 LEU 23 HD11 LEU 23 7.655 4.917 3.536 185 2HD1 LEU 23 HD12 LEU 23 8.497 4.540 2.034 186 3HD1 LEU 23 HD13 LEU 23 9.245 4.154 3.585 187 1HD2 LEU 23 HD21 LEU 23 6.036 1.863 1.982 188 2HD2 LEU 23 HD22 LEU 23 6.975 2.974 0.985 189 3HD2 LEU 23 HD23 LEU 23 5.832 3.605 2.170 190 H LYS 24 HN LYS 24 10.190 -0.401 0.959 191 HA LYS 24 HA LYS 24 12.889 -0.108 1.890 192 1HB LYS 24 HB2 LYS 24 11.584 -2.230 1.633 193 2HB LYS 24 HB1 LYS 24 11.700 -2.057 -0.118 194 1HG LYS 24 HG2 LYS 24 14.331 -1.768 0.958 195 2HG LYS 24 HG1 LYS 24 13.611 -3.208 1.676 196 1HD LYS 24 HD2 LYS 24 14.506 -4.074 -0.298 197 2HD LYS 24 HD1 LYS 24 12.850 -3.719 -0.788 198 1HE LYS 24 HE2 LYS 24 13.480 -1.923 -2.110 199 2HE LYS 24 HE1 LYS 24 14.880 -1.533 -1.092 200 1HZ LYS 24 HZ1 LYS 24 14.646 -3.977 -2.774 201 2HZ LYS 24 HZ2 LYS 24 16.001 -3.497 -1.867 202 3HZ LYS 24 HZ3 LYS 24 15.514 -2.590 -3.218 203 H ALA 25 HN ALA 25 11.425 0.146 -1.354 204 HA ALA 25 HA ALA 25 13.951 0.545 -2.751 205 1HB ALA 25 HB1 ALA 25 11.866 -0.378 -3.747 206 2HB ALA 25 HB2 ALA 25 12.442 1.035 -4.633 207 3HB ALA 25 HB3 ALA 25 11.083 1.186 -3.518 208 H LYS 26 HN LYS 26 11.724 2.637 -1.027 209 HA LYS 26 HA LYS 26 12.359 5.140 -2.284 210 1HB LYS 26 HB2 LYS 26 11.083 4.132 0.198 211 2HB LYS 26 HB1 LYS 26 11.688 5.785 0.278 212 1HG LYS 26 HG2 LYS 26 10.303 5.280 -2.236 213 2HG LYS 26 HG1 LYS 26 9.261 4.964 -0.849 214 1HD LYS 26 HD2 LYS 26 10.911 7.445 -0.749 215 2HD LYS 26 HD1 LYS 26 9.564 7.431 -1.887 216 1HE LYS 26 HE2 LYS 26 8.187 6.501 0.154 217 2HE LYS 26 HE1 LYS 26 9.497 7.212 1.117 218 1HZ LYS 26 HZ1 LYS 26 7.675 8.799 0.631 219 2HZ LYS 26 HZ2 LYS 26 8.020 8.656 -1.026 220 3HZ LYS 26 HZ3 LYS 26 9.176 9.311 0.033 221 H LEU 27 HN LEU 27 14.277 3.122 -0.222 222 HA LEU 27 HA LEU 27 15.817 4.938 1.289 223 1HB LEU 27 HB2 LEU 27 15.842 2.394 1.240 224 2HB LEU 27 HB1 LEU 27 16.849 2.506 -0.203 225 HG LEU 27 HG LEU 27 17.749 4.163 2.080 226 1HD1 LEU 27 HD11 LEU 27 18.613 2.349 3.389 227 2HD1 LEU 27 HD12 LEU 27 18.126 1.160 2.181 228 3HD1 LEU 27 HD13 LEU 27 16.903 2.005 3.131 229 1HD2 LEU 27 HD21 LEU 27 19.076 2.210 0.172 230 2HD2 LEU 27 HD22 LEU 27 19.939 3.196 1.352 231 3HD2 LEU 27 HD23 LEU 27 19.064 3.968 0.030 232 H MET 28 HN MET 28 16.103 4.082 -2.161 233 HA MET 28 HA MET 28 18.265 6.141 -2.455 234 1HB MET 28 HB2 MET 28 18.466 3.574 -3.047 235 2HB MET 28 HB1 MET 28 17.569 4.038 -4.493 236 1HG MET 28 HG2 MET 28 19.287 5.820 -4.914 237 2HG MET 28 HG1 MET 28 20.218 5.180 -3.561 238 1HE MET 28 HE1 MET 28 21.410 5.142 -6.914 239 2HE MET 28 HE2 MET 28 22.497 3.990 -6.141 240 3HE MET 28 HE3 MET 28 21.906 5.379 -5.233 241 HA PRO 29 HA PRO 29 14.563 7.978 -4.463 242 1HB PRO 29 HB2 PRO 29 15.212 10.568 -3.863 243 2HB PRO 29 HB1 PRO 29 14.336 9.501 -2.749 244 1HG PRO 29 HG2 PRO 29 17.205 10.278 -2.764 245 2HG PRO 29 HG1 PRO 29 16.113 10.016 -1.395 246 1HD PRO 29 HD2 PRO 29 17.984 8.199 -2.230 247 2HD PRO 29 HD1 PRO 29 16.498 7.768 -1.357 248 H GLN 30 HN GLN 30 14.624 10.042 -6.028 249 HA GLN 30 HA GLN 30 17.199 10.175 -7.535 250 1HB GLN 30 HB2 GLN 30 14.683 8.831 -8.289 251 2HB GLN 30 HB1 GLN 30 15.299 9.930 -9.525 252 1HG GLN 30 HG2 GLN 30 17.107 7.928 -8.170 253 2HG GLN 30 HG1 GLN 30 16.145 7.488 -9.581 254 1HE2 GLN 30 HE21 GLN 30 16.614 8.637 -11.634 255 2HE2 GLN 30 HE22 GLN 30 18.100 9.428 -11.850 256 H LEU 31 HN LEU 31 13.775 11.284 -7.587 257 HA LEU 31 HA LEU 31 14.704 13.961 -8.533 258 1HB LEU 31 HB2 LEU 31 12.077 12.460 -8.494 259 2HB LEU 31 HB1 LEU 31 12.150 14.182 -8.871 260 HG LEU 31 HG LEU 31 13.963 12.262 -10.311 261 1HD1 LEU 31 HD11 LEU 31 11.075 12.881 -11.008 262 2HD1 LEU 31 HD12 LEU 31 11.720 11.304 -10.551 263 3HD1 LEU 31 HD13 LEU 31 12.216 12.053 -12.069 264 1HD2 LEU 31 HD21 LEU 31 14.254 14.731 -10.520 265 2HD2 LEU 31 HD22 LEU 31 12.602 14.852 -11.122 266 3HD2 LEU 31 HD23 LEU 31 13.817 13.978 -12.053 Start of MODEL 27 1 1H SER 1 HT1 SER 1 -14.364 9.917 -6.376 2 2H SER 1 HT2 SER 1 -15.802 9.754 -5.486 3 3H SER 1 HT3 SER 1 -14.300 9.754 -4.690 4 HA SER 1 HA SER 1 -13.936 12.076 -5.444 5 1HB SER 1 HB2 SER 1 -16.124 13.134 -6.299 6 2HB SER 1 HB1 SER 1 -15.282 12.062 -7.412 7 HG SER 1 HG SER 1 -17.746 11.857 -6.686 8 H GLY 2 HN GLY 2 -17.327 11.368 -4.491 9 1HA GLY 2 HA2 GLY 2 -16.805 12.806 -1.931 10 2HA GLY 2 HA1 GLY 2 -18.397 12.559 -2.649 11 H SER 3 HN SER 3 -19.434 10.527 -2.381 12 HA SER 3 HA SER 3 -18.605 9.032 0.008 13 1HB SER 3 HB2 SER 3 -20.758 7.785 -0.592 14 2HB SER 3 HB1 SER 3 -20.935 9.513 -0.305 15 HG SER 3 HG SER 3 -21.220 8.041 -2.626 16 H TRP 4 HN TRP 4 -16.500 8.454 -1.321 17 HA TRP 4 HA TRP 4 -16.961 5.788 -2.615 18 1HB TRP 4 HB2 TRP 4 -16.279 8.060 -3.951 19 2HB TRP 4 HB1 TRP 4 -14.678 7.455 -3.528 20 HD1 TRP 4 HD1 TRP 4 -17.926 6.227 -5.222 21 HE1 TRP 4 HE1 TRP 4 -17.297 4.428 -6.959 22 HE3 TRP 4 HE3 TRP 4 -12.903 5.886 -4.364 23 HZ2 TRP 4 HZ2 TRP 4 -14.973 3.031 -7.865 24 HZ3 TRP 4 HZ3 TRP 4 -11.508 4.312 -5.675 25 HH2 TRP 4 HH2 TRP 4 -12.535 2.887 -7.422 26 H LEU 5 HN LEU 5 -16.298 6.280 0.145 27 HA LEU 5 HA LEU 5 -13.404 5.945 0.506 28 1HB LEU 5 HB2 LEU 5 -15.761 6.557 2.053 29 2HB LEU 5 HB1 LEU 5 -14.888 5.240 2.833 30 HG LEU 5 HG LEU 5 -12.780 6.624 2.598 31 1HD1 LEU 5 HD11 LEU 5 -13.045 9.022 2.173 32 2HD1 LEU 5 HD12 LEU 5 -14.781 8.812 1.949 33 3HD1 LEU 5 HD13 LEU 5 -13.651 8.104 0.794 34 1HD2 LEU 5 HD21 LEU 5 -13.440 8.201 4.459 35 2HD2 LEU 5 HD22 LEU 5 -13.895 6.520 4.743 36 3HD2 LEU 5 HD23 LEU 5 -15.111 7.687 4.221 37 H ARG 6 HN ARG 6 -16.304 3.870 0.691 38 HA ARG 6 HA ARG 6 -15.046 1.483 1.627 39 1HB ARG 6 HB2 ARG 6 -17.577 2.394 0.629 40 2HB ARG 6 HB1 ARG 6 -17.172 0.889 -0.194 41 1HG ARG 6 HG2 ARG 6 -17.443 -0.346 1.688 42 2HG ARG 6 HG1 ARG 6 -16.583 0.830 2.683 43 1HD ARG 6 HD2 ARG 6 -18.722 2.295 2.442 44 2HD ARG 6 HD1 ARG 6 -19.511 0.785 1.941 45 HE ARG 6 HE ARG 6 -18.814 -0.203 4.109 46 1HH1 ARG 6 HH11 ARG 6 -16.630 1.584 4.934 47 2HH1 ARG 6 HH12 ARG 6 -17.390 2.637 6.080 48 1HH2 ARG 6 HH21 ARG 6 -20.617 1.856 5.049 49 2HH2 ARG 6 HH22 ARG 6 -19.657 2.793 6.144 50 H ASP 7 HN ASP 7 -15.451 2.772 -1.678 51 HA ASP 7 HA ASP 7 -14.307 0.413 -2.973 52 1HB ASP 7 HB2 ASP 7 -15.798 2.675 -3.674 53 2HB ASP 7 HB1 ASP 7 -14.246 2.921 -4.473 54 H ILE 8 HN ILE 8 -12.890 2.890 -1.151 55 HA ILE 8 HA ILE 8 -10.347 2.863 -2.715 56 HB ILE 8 HB ILE 8 -11.516 4.564 -0.498 57 1HG1 ILE 8 HG12 ILE 8 -12.119 4.996 -2.902 58 2HG1 ILE 8 HG11 ILE 8 -11.304 6.352 -2.124 59 1HG2 ILE 8 HG21 ILE 8 -9.262 4.417 0.200 60 2HG2 ILE 8 HG22 ILE 8 -9.306 5.882 -0.781 61 3HG2 ILE 8 HG23 ILE 8 -8.660 4.387 -1.458 62 1HD1 ILE 8 HD11 ILE 8 -10.345 5.988 -4.345 63 2HD1 ILE 8 HD12 ILE 8 -10.017 4.300 -3.954 64 3HD1 ILE 8 HD13 ILE 8 -9.148 5.585 -3.115 65 H TRP 9 HN TRP 9 -11.783 1.950 0.399 66 HA TRP 9 HA TRP 9 -9.467 1.295 1.884 67 1HB TRP 9 HB2 TRP 9 -12.241 1.099 2.111 68 2HB TRP 9 HB1 TRP 9 -11.697 -0.575 2.205 69 HD1 TRP 9 HD1 TRP 9 -11.965 -0.952 4.750 70 HE1 TRP 9 HE1 TRP 9 -10.831 0.037 6.842 71 HE3 TRP 9 HE3 TRP 9 -9.474 2.988 2.638 72 HZ2 TRP 9 HZ2 TRP 9 -9.103 2.205 7.532 73 HZ3 TRP 9 HZ3 TRP 9 -8.097 4.493 4.040 74 HH2 TRP 9 HH2 TRP 9 -7.906 4.107 6.482 75 H ASP 10 HN ASP 10 -11.327 -0.789 -0.386 76 HA ASP 10 HA ASP 10 -9.728 -3.144 -0.064 77 1HB ASP 10 HB2 ASP 10 -10.706 -3.734 -2.296 78 2HB ASP 10 HB1 ASP 10 -11.918 -3.119 -1.177 79 H TRP 11 HN TRP 11 -9.318 -0.249 -2.070 80 HA TRP 11 HA TRP 11 -7.030 -1.251 -3.567 81 1HB TRP 11 HB2 TRP 11 -8.633 0.577 -4.252 82 2HB TRP 11 HB1 TRP 11 -7.931 1.594 -2.995 83 HD1 TRP 11 HD1 TRP 11 -6.708 -0.462 -6.039 84 HE1 TRP 11 HE1 TRP 11 -4.743 0.808 -7.121 85 HE3 TRP 11 HE3 TRP 11 -6.315 3.473 -2.808 86 HZ2 TRP 11 HZ2 TRP 11 -3.207 3.181 -6.675 87 HZ3 TRP 11 HZ3 TRP 11 -4.595 5.222 -3.159 88 HH2 TRP 11 HH2 TRP 11 -3.041 5.081 -5.087 89 H ILE 12 HN ILE 12 -7.503 0.668 -0.601 90 HA ILE 12 HA ILE 12 -4.821 1.483 -0.110 91 HB ILE 12 HB ILE 12 -7.112 0.670 1.715 92 1HG1 ILE 12 HG12 ILE 12 -7.247 2.684 0.068 93 2HG1 ILE 12 HG11 ILE 12 -7.701 2.950 1.749 94 1HG2 ILE 12 HG21 ILE 12 -5.770 2.225 3.347 95 2HG2 ILE 12 HG22 ILE 12 -4.391 1.787 2.338 96 3HG2 ILE 12 HG23 ILE 12 -5.300 0.533 3.181 97 1HD1 ILE 12 HD11 ILE 12 -5.715 4.101 2.235 98 2HD1 ILE 12 HD12 ILE 12 -6.093 4.652 0.604 99 3HD1 ILE 12 HD13 ILE 12 -4.866 3.412 0.852 100 H CYS 13 HN CYS 13 -6.520 -1.563 0.635 101 HA CYS 13 HA CYS 13 -4.407 -2.847 2.095 102 1HB CYS 13 HB2 CYS 13 -6.763 -3.570 2.072 103 2HB CYS 13 HB1 CYS 13 -6.650 -3.931 0.349 104 HG CYS 13 HG CYS 13 -5.089 -5.920 0.874 105 H GLU 14 HN GLU 14 -5.217 -2.709 -1.378 106 HA GLU 14 HA GLU 14 -3.204 -4.552 -2.287 107 1HB GLU 14 HB2 GLU 14 -5.201 -2.713 -3.333 108 2HB GLU 14 HB1 GLU 14 -3.724 -2.640 -4.290 109 1HG GLU 14 HG2 GLU 14 -4.757 -4.419 -5.340 110 2HG GLU 14 HG1 GLU 14 -3.890 -5.297 -4.081 111 H VAL 15 HN VAL 15 -3.262 -1.006 -1.950 112 HA VAL 15 HA VAL 15 -0.562 -0.581 -2.925 113 HB VAL 15 HB VAL 15 -2.409 1.078 -1.169 114 1HG1 VAL 15 HG11 VAL 15 -0.402 2.181 -0.855 115 2HG1 VAL 15 HG12 VAL 15 -0.888 2.911 -2.386 116 3HG1 VAL 15 HG13 VAL 15 0.282 1.590 -2.370 117 1HG2 VAL 15 HG21 VAL 15 -2.770 2.299 -3.369 118 2HG2 VAL 15 HG22 VAL 15 -3.438 0.668 -3.312 119 3HG2 VAL 15 HG23 VAL 15 -1.923 0.971 -4.160 120 H LEU 16 HN LEU 16 -2.003 -1.098 0.289 121 HA LEU 16 HA LEU 16 0.194 -0.457 1.956 122 1HB LEU 16 HB2 LEU 16 -2.149 -1.037 2.628 123 2HB LEU 16 HB1 LEU 16 -1.811 -2.722 2.236 124 HG LEU 16 HG LEU 16 0.263 -1.662 3.958 125 1HD1 LEU 16 HD11 LEU 16 -1.173 -1.392 5.986 126 2HD1 LEU 16 HD12 LEU 16 -2.598 -1.455 4.949 127 3HD1 LEU 16 HD13 LEU 16 -1.446 -0.129 4.787 128 1HD2 LEU 16 HD21 LEU 16 -1.853 -3.786 4.437 129 2HD2 LEU 16 HD22 LEU 16 -0.308 -3.635 5.274 130 3HD2 LEU 16 HD23 LEU 16 -0.345 -4.061 3.564 131 H SER 17 HN SER 17 -0.516 -3.486 0.193 132 HA SER 17 HA SER 17 1.626 -5.067 1.251 133 1HB SER 17 HB2 SER 17 -0.018 -5.024 -1.277 134 2HB SER 17 HB1 SER 17 1.286 -6.196 -1.089 135 HG SER 17 HG SER 17 -1.098 -5.889 0.375 136 H ASP 18 HN ASP 18 1.455 -2.913 -1.604 137 HA ASP 18 HA ASP 18 4.217 -3.350 -2.405 138 1HB ASP 18 HB2 ASP 18 2.474 -2.597 -3.962 139 2HB ASP 18 HB1 ASP 18 2.199 -1.152 -2.989 140 H PHE 19 HN PHE 19 2.519 -1.007 -0.339 141 HA PHE 19 HA PHE 19 4.512 0.955 0.034 142 1HB PHE 19 HB2 PHE 19 2.050 0.170 1.157 143 2HB PHE 19 HB1 PHE 19 3.176 0.205 2.510 144 HD1 PHE 19 HD1 PHE 19 3.400 2.233 3.625 145 HD2 PHE 19 HD2 PHE 19 2.425 2.247 -0.561 146 HE1 PHE 19 HE1 PHE 19 3.288 4.710 3.658 147 HE2 PHE 19 HE2 PHE 19 2.313 4.724 -0.525 148 HZ PHE 19 HZ PHE 19 2.744 5.955 1.584 149 H LYS 20 HN LYS 20 4.152 -2.232 1.597 150 HA LYS 20 HA LYS 20 6.278 -2.030 3.494 151 1HB LYS 20 HB2 LYS 20 4.469 -3.801 3.273 152 2HB LYS 20 HB1 LYS 20 5.382 -4.472 1.921 153 1HG LYS 20 HG2 LYS 20 7.189 -4.064 4.109 154 2HG LYS 20 HG1 LYS 20 5.780 -4.940 4.707 155 1HD LYS 20 HD2 LYS 20 6.053 -6.445 2.630 156 2HD LYS 20 HD1 LYS 20 7.655 -5.721 2.471 157 1HE LYS 20 HE2 LYS 20 8.233 -7.494 3.841 158 2HE LYS 20 HE1 LYS 20 7.715 -6.365 5.108 159 1HZ LYS 20 HZ1 LYS 20 6.558 -8.482 5.323 160 2HZ LYS 20 HZ2 LYS 20 5.973 -8.351 3.733 161 3HZ LYS 20 HZ3 LYS 20 5.464 -7.250 4.924 162 H THR 21 HN THR 21 6.263 -3.269 0.129 163 HA THR 21 HA THR 21 9.110 -3.787 0.007 164 HB THR 21 HB THR 21 7.214 -3.178 -2.280 165 HG1 THR 21 HG1 THR 21 7.506 -5.558 -0.762 166 1HG2 THR 21 HG21 THR 21 9.868 -3.829 -2.304 167 2HG2 THR 21 HG22 THR 21 8.744 -4.201 -3.612 168 3HG2 THR 21 HG23 THR 21 9.125 -5.426 -2.401 169 H TRP 22 HN TRP 22 7.049 -1.020 -0.886 170 HA TRP 22 HA TRP 22 8.914 0.601 -2.266 171 1HB TRP 22 HB2 TRP 22 6.369 0.847 -1.658 172 2HB TRP 22 HB1 TRP 22 6.968 1.684 -0.232 173 HD1 TRP 22 HD1 TRP 22 6.519 2.072 -3.958 174 HE1 TRP 22 HE1 TRP 22 7.213 4.456 -4.656 175 HE3 TRP 22 HE3 TRP 22 8.642 3.683 0.396 176 HZ2 TRP 22 HZ2 TRP 22 8.499 6.744 -3.517 177 HZ3 TRP 22 HZ3 TRP 22 9.593 5.966 0.564 178 HH2 TRP 22 HH2 TRP 22 9.524 7.497 -1.386 179 H LEU 23 HN LEU 23 8.217 0.475 1.238 180 HA LEU 23 HA LEU 23 10.248 2.346 2.049 181 1HB LEU 23 HB2 LEU 23 8.402 0.365 3.244 182 2HB LEU 23 HB1 LEU 23 9.852 0.678 4.197 183 HG LEU 23 HG LEU 23 9.288 3.203 3.690 184 1HD1 LEU 23 HD11 LEU 23 7.407 2.529 2.132 185 2HD1 LEU 23 HD12 LEU 23 6.944 3.663 3.400 186 3HD1 LEU 23 HD13 LEU 23 6.531 1.955 3.550 187 1HD2 LEU 23 HD21 LEU 23 9.284 2.102 5.926 188 2HD2 LEU 23 HD22 LEU 23 7.627 1.571 5.639 189 3HD2 LEU 23 HD23 LEU 23 7.992 3.292 5.768 190 H LYS 24 HN LYS 24 10.283 -1.171 1.513 191 HA LYS 24 HA LYS 24 12.803 -1.795 2.706 192 1HB LYS 24 HB2 LYS 24 10.771 -3.092 1.335 193 2HB LYS 24 HB1 LYS 24 12.126 -3.212 0.212 194 1HG LYS 24 HG2 LYS 24 13.522 -4.232 1.911 195 2HG LYS 24 HG1 LYS 24 12.292 -3.961 3.145 196 1HD LYS 24 HD2 LYS 24 11.839 -6.170 2.605 197 2HD LYS 24 HD1 LYS 24 10.777 -5.349 1.461 198 1HE LYS 24 HE2 LYS 24 11.915 -6.869 0.066 199 2HE LYS 24 HE1 LYS 24 12.909 -5.409 -0.110 200 1HZ LYS 24 HZ1 LYS 24 13.371 -7.585 1.869 201 2HZ LYS 24 HZ2 LYS 24 14.314 -6.181 1.701 202 3HZ LYS 24 HZ3 LYS 24 14.276 -7.337 0.457 203 H ALA 25 HN ALA 25 11.966 -0.612 -0.555 204 HA ALA 25 HA ALA 25 14.700 -0.703 -1.569 205 1HB ALA 25 HB1 ALA 25 12.513 -0.807 -2.870 206 2HB ALA 25 HB2 ALA 25 13.694 0.341 -3.500 207 3HB ALA 25 HB3 ALA 25 12.328 0.917 -2.545 208 H LYS 26 HN LYS 26 12.715 1.659 0.141 209 HA LYS 26 HA LYS 26 14.216 4.035 -0.419 210 1HB LYS 26 HB2 LYS 26 11.908 3.732 0.627 211 2HB LYS 26 HB1 LYS 26 12.738 3.322 2.129 212 1HG LYS 26 HG2 LYS 26 14.030 5.633 1.400 213 2HG LYS 26 HG1 LYS 26 12.391 5.946 0.828 214 1HD LYS 26 HD2 LYS 26 11.496 5.930 2.948 215 2HD LYS 26 HD1 LYS 26 12.672 4.761 3.550 216 1HE LYS 26 HE2 LYS 26 14.420 6.501 3.582 217 2HE LYS 26 HE1 LYS 26 13.261 7.683 2.942 218 1HZ LYS 26 HZ1 LYS 26 12.955 6.145 5.472 219 2HZ LYS 26 HZ2 LYS 26 11.823 7.247 4.845 220 3HZ LYS 26 HZ3 LYS 26 13.347 7.791 5.361 221 H LEU 27 HN LEU 27 14.905 1.305 1.670 222 HA LEU 27 HA LEU 27 16.750 2.684 3.452 223 1HB LEU 27 HB2 LEU 27 15.545 0.095 3.081 224 2HB LEU 27 HB1 LEU 27 17.283 -0.115 3.275 225 HG LEU 27 HG LEU 27 15.822 1.742 5.128 226 1HD1 LEU 27 HD11 LEU 27 15.801 -1.278 5.192 227 2HD1 LEU 27 HD12 LEU 27 14.440 -0.170 5.363 228 3HD1 LEU 27 HD13 LEU 27 15.623 -0.320 6.662 229 1HD2 LEU 27 HD21 LEU 27 18.289 -0.009 5.235 230 2HD2 LEU 27 HD22 LEU 27 17.603 0.732 6.680 231 3HD2 LEU 27 HD23 LEU 27 18.197 1.747 5.366 232 H MET 28 HN MET 28 19.056 1.187 3.439 233 HA MET 28 HA MET 28 21.116 0.813 2.354 234 1HB MET 28 HB2 MET 28 19.459 -0.270 0.689 235 2HB MET 28 HB1 MET 28 19.633 1.211 -0.252 236 1HG MET 28 HG2 MET 28 21.255 -0.294 -1.135 237 2HG MET 28 HG1 MET 28 22.159 0.830 -0.121 238 1HE MET 28 HE1 MET 28 23.989 -0.390 -0.113 239 2HE MET 28 HE2 MET 28 23.773 -2.070 -0.599 240 3HE MET 28 HE3 MET 28 24.393 -1.698 1.008 241 HA PRO 29 HA PRO 29 22.301 5.049 1.831 242 1HB PRO 29 HB2 PRO 29 24.968 4.642 1.369 243 2HB PRO 29 HB1 PRO 29 24.234 4.518 2.977 244 1HG PRO 29 HG2 PRO 29 25.011 2.365 1.079 245 2HG PRO 29 HG1 PRO 29 25.137 2.413 2.845 246 1HD PRO 29 HD2 PRO 29 23.180 1.065 1.500 247 2HD PRO 29 HD1 PRO 29 22.984 1.705 3.145 248 H GLN 30 HN GLN 30 23.881 6.242 0.140 249 HA GLN 30 HA GLN 30 24.158 6.931 -2.098 250 1HB GLN 30 HB2 GLN 30 25.347 4.608 -1.849 251 2HB GLN 30 HB1 GLN 30 24.003 4.006 -2.820 252 1HG GLN 30 HG2 GLN 30 24.840 6.351 -4.120 253 2HG GLN 30 HG1 GLN 30 26.330 5.526 -3.661 254 1HE2 GLN 30 HE21 GLN 30 23.186 4.928 -5.315 255 2HE2 GLN 30 HE22 GLN 30 23.784 3.700 -6.324 256 H LEU 31 HN LEU 31 21.600 7.333 -1.419 257 HA LEU 31 HA LEU 31 20.002 6.228 -3.709 258 1HB LEU 31 HB2 LEU 31 19.642 6.052 -0.855 259 2HB LEU 31 HB1 LEU 31 18.311 6.978 -1.547 260 HG LEU 31 HG LEU 31 18.153 5.103 -3.309 261 1HD1 LEU 31 HD11 LEU 31 20.173 3.907 -3.014 262 2HD1 LEU 31 HD12 LEU 31 18.956 2.878 -2.257 263 3HD1 LEU 31 HD13 LEU 31 20.005 3.886 -1.259 264 1HD2 LEU 31 HD21 LEU 31 17.556 4.248 -0.468 265 2HD2 LEU 31 HD22 LEU 31 16.647 3.864 -1.929 266 3HD2 LEU 31 HD23 LEU 31 16.630 5.506 -1.287 Start of MODEL 28 1 1H SER 1 HT1 SER 1 -18.293 -6.655 -5.711 2 2H SER 1 HT2 SER 1 -19.147 -5.525 -4.773 3 3H SER 1 HT3 SER 1 -17.782 -5.039 -5.659 4 HA SER 1 HA SER 1 -18.977 -5.613 -7.746 5 1HB SER 1 HB2 SER 1 -20.431 -7.230 -6.389 6 2HB SER 1 HB1 SER 1 -21.347 -5.819 -5.868 7 HG SER 1 HG SER 1 -22.270 -6.739 -7.725 8 H GLY 2 HN GLY 2 -20.708 -3.986 -5.033 9 1HA GLY 2 HA2 GLY 2 -20.500 -1.437 -6.590 10 2HA GLY 2 HA1 GLY 2 -21.964 -1.875 -5.709 11 H SER 3 HN SER 3 -21.888 -0.103 -4.281 12 HA SER 3 HA SER 3 -21.284 1.076 -2.341 13 1HB SER 3 HB2 SER 3 -21.495 -1.034 -1.257 14 2HB SER 3 HB1 SER 3 -20.007 -1.638 -1.975 15 HG SER 3 HG SER 3 -19.296 -1.024 -0.053 16 H TRP 4 HN TRP 4 -20.020 2.752 -3.222 17 HA TRP 4 HA TRP 4 -17.385 2.586 -4.254 18 1HB TRP 4 HB2 TRP 4 -19.324 4.527 -3.711 19 2HB TRP 4 HB1 TRP 4 -17.941 5.025 -2.739 20 HD1 TRP 4 HD1 TRP 4 -18.390 3.637 -6.337 21 HE1 TRP 4 HE1 TRP 4 -16.902 5.029 -7.916 22 HE3 TRP 4 HE3 TRP 4 -16.322 6.878 -2.974 23 HZ2 TRP 4 HZ2 TRP 4 -15.078 7.229 -7.772 24 HZ3 TRP 4 HZ3 TRP 4 -14.715 8.609 -3.721 25 HH2 TRP 4 HH2 TRP 4 -14.091 8.789 -6.113 26 H LEU 5 HN LEU 5 -18.506 2.790 -0.891 27 HA LEU 5 HA LEU 5 -16.084 3.465 0.425 28 1HB LEU 5 HB2 LEU 5 -18.578 1.925 1.059 29 2HB LEU 5 HB1 LEU 5 -17.243 1.852 2.209 30 HG LEU 5 HG LEU 5 -18.164 4.510 1.137 31 1HD1 LEU 5 HD11 LEU 5 -19.329 3.049 3.529 32 2HD1 LEU 5 HD12 LEU 5 -20.174 3.345 2.009 33 3HD1 LEU 5 HD13 LEU 5 -19.710 4.699 3.038 34 1HD2 LEU 5 HD21 LEU 5 -16.893 5.370 2.845 35 2HD2 LEU 5 HD22 LEU 5 -16.062 3.821 2.701 36 3HD2 LEU 5 HD23 LEU 5 -17.291 4.049 3.944 37 H ARG 6 HN ARG 6 -17.318 0.264 -0.597 38 HA ARG 6 HA ARG 6 -15.124 -1.290 0.437 39 1HB ARG 6 HB2 ARG 6 -17.478 -1.981 -0.375 40 2HB ARG 6 HB1 ARG 6 -16.804 -1.914 -2.004 41 1HG ARG 6 HG2 ARG 6 -14.974 -3.480 -1.186 42 2HG ARG 6 HG1 ARG 6 -15.923 -3.689 0.287 43 1HD ARG 6 HD2 ARG 6 -17.654 -4.810 -0.828 44 2HD ARG 6 HD1 ARG 6 -17.236 -4.093 -2.397 45 HE ARG 6 HE ARG 6 -15.113 -5.495 -2.282 46 1HH1 ARG 6 HH11 ARG 6 -17.842 -7.035 -2.500 47 2HH1 ARG 6 HH12 ARG 6 -17.496 -8.385 -1.473 48 1HH2 ARG 6 HH21 ARG 6 -14.678 -6.921 -0.060 49 2HH2 ARG 6 HH22 ARG 6 -15.698 -8.319 -0.087 50 H ASP 7 HN ASP 7 -15.717 0.308 -2.691 51 HA ASP 7 HA ASP 7 -13.496 -0.710 -4.159 52 1HB ASP 7 HB2 ASP 7 -15.509 0.636 -4.942 53 2HB ASP 7 HB1 ASP 7 -14.710 2.068 -4.297 54 H ILE 8 HN ILE 8 -13.735 1.960 -1.823 55 HA ILE 8 HA ILE 8 -11.004 2.914 -2.307 56 HB ILE 8 HB ILE 8 -13.056 3.448 -0.130 57 1HG1 ILE 8 HG12 ILE 8 -12.329 5.407 -2.273 58 2HG1 ILE 8 HG11 ILE 8 -13.374 4.056 -2.715 59 1HG2 ILE 8 HG21 ILE 8 -11.514 5.661 -0.175 60 2HG2 ILE 8 HG22 ILE 8 -10.301 4.464 -0.629 61 3HG2 ILE 8 HG23 ILE 8 -11.182 4.296 0.890 62 1HD1 ILE 8 HD11 ILE 8 -14.604 6.125 -1.936 63 2HD1 ILE 8 HD12 ILE 8 -13.904 5.857 -0.339 64 3HD1 ILE 8 HD13 ILE 8 -14.992 4.658 -1.038 65 H TRP 9 HN TRP 9 -12.653 0.902 0.147 66 HA TRP 9 HA TRP 9 -10.574 0.647 2.043 67 1HB TRP 9 HB2 TRP 9 -12.925 -0.170 2.237 68 2HB TRP 9 HB1 TRP 9 -12.543 -1.464 1.102 69 HD1 TRP 9 HD1 TRP 9 -12.324 -3.607 2.457 70 HE1 TRP 9 HE1 TRP 9 -11.086 -4.310 4.607 71 HE3 TRP 9 HE3 TRP 9 -10.481 0.921 3.941 72 HZ2 TRP 9 HZ2 TRP 9 -9.524 -3.111 6.680 73 HZ3 TRP 9 HZ3 TRP 9 -9.123 1.111 6.003 74 HH2 TRP 9 HH2 TRP 9 -8.642 -0.898 7.374 75 H ASP 10 HN ASP 10 -11.184 -1.419 -0.839 76 HA ASP 10 HA ASP 10 -8.928 -3.150 -0.487 77 1HB ASP 10 HB2 ASP 10 -10.718 -3.715 -1.997 78 2HB ASP 10 HB1 ASP 10 -10.517 -2.210 -2.895 79 H TRP 11 HN TRP 11 -9.296 -0.058 -2.231 80 HA TRP 11 HA TRP 11 -6.682 0.080 -3.384 81 1HB TRP 11 HB2 TRP 11 -8.610 1.496 -4.000 82 2HB TRP 11 HB1 TRP 11 -8.593 2.234 -2.401 83 HD1 TRP 11 HD1 TRP 11 -6.774 2.235 -5.731 84 HE1 TRP 11 HE1 TRP 11 -5.109 4.204 -5.782 85 HE3 TRP 11 HE3 TRP 11 -7.076 3.772 -0.871 86 HZ2 TRP 11 HZ2 TRP 11 -4.047 6.171 -3.996 87 HZ3 TRP 11 HZ3 TRP 11 -5.730 5.692 -0.073 88 HH2 TRP 11 HH2 TRP 11 -4.216 6.892 -1.627 89 H ILE 12 HN ILE 12 -7.928 1.137 -0.205 90 HA ILE 12 HA ILE 12 -5.534 2.424 0.726 91 HB ILE 12 HB ILE 12 -7.851 1.020 2.102 92 1HG1 ILE 12 HG12 ILE 12 -7.298 3.979 2.052 93 2HG1 ILE 12 HG11 ILE 12 -8.065 3.207 0.664 94 1HG2 ILE 12 HG21 ILE 12 -7.109 2.354 4.124 95 2HG2 ILE 12 HG22 ILE 12 -5.600 2.679 3.272 96 3HG2 ILE 12 HG23 ILE 12 -6.036 1.023 3.692 97 1HD1 ILE 12 HD11 ILE 12 -9.669 4.131 2.405 98 2HD1 ILE 12 HD12 ILE 12 -9.082 2.874 3.495 99 3HD1 ILE 12 HD13 ILE 12 -9.901 2.432 1.997 100 H CYS 13 HN CYS 13 -6.632 -0.960 0.787 101 HA CYS 13 HA CYS 13 -4.490 -1.974 2.452 102 1HB CYS 13 HB2 CYS 13 -6.756 -3.008 1.952 103 2HB CYS 13 HB1 CYS 13 -6.143 -3.407 0.348 104 HG CYS 13 HG CYS 13 -4.385 -4.983 1.444 105 H GLU 14 HN GLU 14 -4.956 -1.668 -1.084 106 HA GLU 14 HA GLU 14 -2.585 -3.076 -1.887 107 1HB GLU 14 HB2 GLU 14 -4.763 -1.692 -3.035 108 2HB GLU 14 HB1 GLU 14 -3.318 -0.886 -3.639 109 1HG GLU 14 HG2 GLU 14 -3.627 -2.613 -5.199 110 2HG GLU 14 HG1 GLU 14 -2.443 -3.303 -4.090 111 H VAL 15 HN VAL 15 -3.193 0.344 -1.146 112 HA VAL 15 HA VAL 15 -0.607 1.374 -1.855 113 HB VAL 15 HB VAL 15 -2.695 2.241 0.180 114 1HG1 VAL 15 HG11 VAL 15 -1.477 4.536 -0.418 115 2HG1 VAL 15 HG12 VAL 15 -0.106 3.462 -0.698 116 3HG1 VAL 15 HG13 VAL 15 -0.885 3.503 0.883 117 1HG2 VAL 15 HG21 VAL 15 -2.307 3.802 -2.280 118 2HG2 VAL 15 HG22 VAL 15 -3.798 3.203 -1.556 119 3HG2 VAL 15 HG23 VAL 15 -2.832 2.146 -2.585 120 H LEU 16 HN LEU 16 -1.896 0.000 1.177 121 HA LEU 16 HA LEU 16 0.382 0.496 2.847 122 1HB LEU 16 HB2 LEU 16 -1.968 -0.221 3.489 123 2HB LEU 16 HB1 LEU 16 -1.556 -1.840 2.926 124 HG LEU 16 HG LEU 16 0.473 -0.750 4.729 125 1HD1 LEU 16 HD11 LEU 16 -2.268 -1.288 5.903 126 2HD1 LEU 16 HD12 LEU 16 -1.637 0.335 5.623 127 3HD1 LEU 16 HD13 LEU 16 -0.824 -0.743 6.758 128 1HD2 LEU 16 HD21 LEU 16 0.216 -3.134 4.006 129 2HD2 LEU 16 HD22 LEU 16 -1.301 -3.209 4.903 130 3HD2 LEU 16 HD23 LEU 16 0.219 -2.948 5.759 131 H SER 17 HN SER 17 -0.507 -2.292 0.788 132 HA SER 17 HA SER 17 1.743 -3.962 1.389 133 1HB SER 17 HB2 SER 17 0.121 -3.674 -1.166 134 2HB SER 17 HB1 SER 17 1.083 -5.077 -0.713 135 HG SER 17 HG SER 17 -1.421 -4.591 -0.105 136 H ASP 18 HN ASP 18 1.233 -1.440 -1.081 137 HA ASP 18 HA ASP 18 3.716 -1.747 -2.479 138 1HB ASP 18 HB2 ASP 18 1.902 -0.494 -3.435 139 2HB ASP 18 HB1 ASP 18 1.783 0.543 -2.014 140 H PHE 19 HN PHE 19 2.785 0.283 0.316 141 HA PHE 19 HA PHE 19 5.209 1.722 0.664 142 1HB PHE 19 HB2 PHE 19 2.756 1.340 1.970 143 2HB PHE 19 HB1 PHE 19 3.963 0.847 3.155 144 HD1 PHE 19 HD1 PHE 19 5.756 2.420 3.858 145 HD2 PHE 19 HD2 PHE 19 2.552 3.637 1.268 146 HE1 PHE 19 HE1 PHE 19 6.299 4.798 4.306 147 HE2 PHE 19 HE2 PHE 19 3.094 6.015 1.716 148 HZ PHE 19 HZ PHE 19 4.966 6.596 3.234 149 H LYS 20 HN LYS 20 4.252 -1.517 1.801 150 HA LYS 20 HA LYS 20 6.585 -2.090 3.371 151 1HB LYS 20 HB2 LYS 20 4.459 -3.674 1.932 152 2HB LYS 20 HB1 LYS 20 5.802 -4.511 2.711 153 1HG LYS 20 HG2 LYS 20 5.169 -2.939 4.753 154 2HG LYS 20 HG1 LYS 20 3.600 -2.899 3.949 155 1HD LYS 20 HD2 LYS 20 3.769 -5.464 3.852 156 2HD LYS 20 HD1 LYS 20 5.090 -5.303 5.012 157 1HE LYS 20 HE2 LYS 20 3.330 -3.787 6.313 158 2HE LYS 20 HE1 LYS 20 2.164 -4.756 5.391 159 1HZ LYS 20 HZ1 LYS 20 2.749 -5.872 7.456 160 2HZ LYS 20 HZ2 LYS 20 4.396 -5.826 7.046 161 3HZ LYS 20 HZ3 LYS 20 3.313 -6.763 6.129 162 H THR 21 HN THR 21 5.820 -2.659 -0.085 163 HA THR 21 HA THR 21 8.332 -3.982 -0.698 164 HB THR 21 HB THR 21 6.561 -2.435 -2.610 165 HG1 THR 21 HG1 THR 21 5.002 -3.692 -2.029 166 1HG2 THR 21 HG21 THR 21 7.226 -4.156 -4.183 167 2HG2 THR 21 HG22 THR 21 8.045 -5.059 -2.908 168 3HG2 THR 21 HG23 THR 21 8.677 -3.497 -3.429 169 H TRP 22 HN TRP 22 7.185 -0.621 -0.803 170 HA TRP 22 HA TRP 22 9.280 0.632 -2.230 171 1HB TRP 22 HB2 TRP 22 7.026 1.422 -1.038 172 2HB TRP 22 HB1 TRP 22 8.137 1.865 0.254 173 HD1 TRP 22 HD1 TRP 22 7.331 2.647 -3.406 174 HE1 TRP 22 HE1 TRP 22 8.410 4.906 -4.019 175 HE3 TRP 22 HE3 TRP 22 10.018 3.519 0.847 176 HZ2 TRP 22 HZ2 TRP 22 10.180 6.831 -2.855 177 HZ3 TRP 22 HZ3 TRP 22 11.388 5.572 1.069 178 HH2 TRP 22 HH2 TRP 22 11.473 7.227 -0.775 179 H LEU 23 HN LEU 23 9.036 0.008 1.283 180 HA LEU 23 HA LEU 23 11.704 0.980 1.890 181 1HB LEU 23 HB2 LEU 23 9.445 -0.414 3.252 182 2HB LEU 23 HB1 LEU 23 11.034 -0.571 4.002 183 HG LEU 23 HG LEU 23 11.167 2.025 3.648 184 1HD1 LEU 23 HD11 LEU 23 9.152 2.256 2.294 185 2HD1 LEU 23 HD12 LEU 23 8.908 3.079 3.833 186 3HD1 LEU 23 HD13 LEU 23 8.181 1.496 3.555 187 1HD2 LEU 23 HD21 LEU 23 10.914 0.661 5.823 188 2HD2 LEU 23 HD22 LEU 23 9.196 1.047 5.721 189 3HD2 LEU 23 HD23 LEU 23 10.383 2.342 5.869 190 H LYS 24 HN LYS 24 10.315 -2.245 1.225 191 HA LYS 24 HA LYS 24 12.616 -3.815 1.906 192 1HB LYS 24 HB2 LYS 24 10.122 -4.076 0.294 193 2HB LYS 24 HB1 LYS 24 11.402 -5.237 -0.056 194 1HG LYS 24 HG2 LYS 24 11.030 -4.855 2.816 195 2HG LYS 24 HG1 LYS 24 9.558 -5.417 2.026 196 1HD LYS 24 HD2 LYS 24 10.576 -7.382 1.236 197 2HD LYS 24 HD1 LYS 24 12.203 -6.721 1.414 198 1HE LYS 24 HE2 LYS 24 11.457 -6.598 3.994 199 2HE LYS 24 HE1 LYS 24 10.424 -7.947 3.480 200 1HZ LYS 24 HZ1 LYS 24 13.355 -7.719 3.014 201 2HZ LYS 24 HZ2 LYS 24 12.370 -8.990 2.464 202 3HZ LYS 24 HZ3 LYS 24 12.608 -8.755 4.129 203 H ALA 25 HN ALA 25 11.634 -2.196 -1.115 204 HA ALA 25 HA ALA 25 13.784 -3.193 -2.759 205 1HB ALA 25 HB1 ALA 25 11.562 -2.101 -3.415 206 2HB ALA 25 HB2 ALA 25 12.977 -1.545 -4.309 207 3HB ALA 25 HB3 ALA 25 12.311 -0.556 -3.009 208 H LYS 26 HN LYS 26 13.428 -0.317 -0.677 209 HA LYS 26 HA LYS 26 15.826 1.050 -1.439 210 1HB LYS 26 HB2 LYS 26 13.935 0.981 0.877 211 2HB LYS 26 HB1 LYS 26 15.478 1.800 1.115 212 1HG LYS 26 HG2 LYS 26 15.018 3.103 -0.999 213 2HG LYS 26 HG1 LYS 26 13.400 2.400 -1.006 214 1HD LYS 26 HD2 LYS 26 13.023 4.393 0.141 215 2HD LYS 26 HD1 LYS 26 13.321 3.278 1.475 216 1HE LYS 26 HE2 LYS 26 15.860 4.025 1.051 217 2HE LYS 26 HE1 LYS 26 15.056 5.478 0.424 218 1HZ LYS 26 HZ1 LYS 26 15.279 5.798 2.746 219 2HZ LYS 26 HZ2 LYS 26 14.726 4.230 3.098 220 3HZ LYS 26 HZ3 LYS 26 13.649 5.397 2.491 221 H LEU 27 HN LEU 27 15.233 -1.603 0.845 222 HA LEU 27 HA LEU 27 17.689 -1.585 2.276 223 1HB LEU 27 HB2 LEU 27 15.496 -2.950 2.544 224 2HB LEU 27 HB1 LEU 27 16.217 -4.071 1.390 225 HG LEU 27 HG LEU 27 17.897 -3.204 3.704 226 1HD1 LEU 27 HD11 LEU 27 16.888 -4.768 5.219 227 2HD1 LEU 27 HD12 LEU 27 15.814 -5.387 3.966 228 3HD1 LEU 27 HD13 LEU 27 15.581 -3.759 4.601 229 1HD2 LEU 27 HD21 LEU 27 17.644 -5.476 1.801 230 2HD2 LEU 27 HD22 LEU 27 18.180 -5.886 3.430 231 3HD2 LEU 27 HD23 LEU 27 19.093 -4.723 2.469 232 H MET 28 HN MET 28 16.879 -2.949 -0.915 233 HA MET 28 HA MET 28 19.352 -4.393 -1.297 234 1HB MET 28 HB2 MET 28 17.049 -4.543 -2.488 235 2HB MET 28 HB1 MET 28 17.624 -3.192 -3.466 236 1HG MET 28 HG2 MET 28 19.646 -4.541 -4.056 237 2HG MET 28 HG1 MET 28 18.951 -5.904 -3.178 238 1HE MET 28 HE1 MET 28 18.477 -7.631 -4.517 239 2HE MET 28 HE2 MET 28 17.160 -7.726 -5.684 240 3HE MET 28 HE3 MET 28 16.814 -7.307 -4.009 241 HA PRO 29 HA PRO 29 21.813 -0.721 -1.994 242 1HB PRO 29 HB2 PRO 29 24.172 -2.022 -2.472 243 2HB PRO 29 HB1 PRO 29 23.511 -1.776 -0.846 244 1HG PRO 29 HG2 PRO 29 23.470 -4.201 -2.560 245 2HG PRO 29 HG1 PRO 29 23.654 -4.062 -0.805 246 1HD PRO 29 HD2 PRO 29 21.321 -4.781 -2.054 247 2HD PRO 29 HD1 PRO 29 21.403 -4.030 -0.445 248 H GLN 30 HN GLN 30 23.604 -0.227 -3.808 249 HA GLN 30 HA GLN 30 22.484 -1.178 -6.429 250 1HB GLN 30 HB2 GLN 30 22.706 1.384 -5.260 251 2HB GLN 30 HB1 GLN 30 23.937 1.329 -6.521 252 1HG GLN 30 HG2 GLN 30 21.900 0.200 -7.873 253 2HG GLN 30 HG1 GLN 30 20.971 1.204 -6.759 254 1HE2 GLN 30 HE21 GLN 30 23.776 1.456 -9.020 255 2HE2 GLN 30 HE22 GLN 30 23.449 3.058 -9.473 256 H LEU 31 HN LEU 31 24.059 -1.331 -8.199 257 HA LEU 31 HA LEU 31 26.901 -1.660 -7.287 258 1HB LEU 31 HB2 LEU 31 25.060 -3.445 -8.879 259 2HB LEU 31 HB1 LEU 31 26.808 -3.572 -9.071 260 HG LEU 31 HG LEU 31 26.431 -3.482 -6.302 261 1HD1 LEU 31 HD11 LEU 31 24.435 -5.397 -7.547 262 2HD1 LEU 31 HD12 LEU 31 23.994 -3.883 -6.757 263 3HD1 LEU 31 HD13 LEU 31 24.754 -5.175 -5.827 264 1HD2 LEU 31 HD21 LEU 31 27.235 -5.776 -6.383 265 2HD2 LEU 31 HD22 LEU 31 28.037 -4.860 -7.659 266 3HD2 LEU 31 HD23 LEU 31 26.703 -5.945 -8.055 Start of MODEL 29 1 1H SER 1 HT1 SER 1 -19.222 4.346 -11.609 2 2H SER 1 HT2 SER 1 -20.840 4.727 -11.251 3 3H SER 1 HT3 SER 1 -19.900 3.863 -10.130 4 HA SER 1 HA SER 1 -18.483 5.773 -9.758 5 1HB SER 1 HB2 SER 1 -20.280 6.951 -11.902 6 2HB SER 1 HB1 SER 1 -19.076 7.866 -10.998 7 HG SER 1 HG SER 1 -18.120 7.173 -12.881 8 H GLY 2 HN GLY 2 -19.140 6.382 -7.739 9 1HA GLY 2 HA2 GLY 2 -21.172 8.079 -7.005 10 2HA GLY 2 HA1 GLY 2 -21.982 6.512 -7.053 11 H SER 3 HN SER 3 -21.117 4.793 -5.653 12 HA SER 3 HA SER 3 -20.082 5.899 -3.098 13 1HB SER 3 HB2 SER 3 -20.685 3.510 -2.371 14 2HB SER 3 HB1 SER 3 -22.021 4.507 -2.937 15 HG SER 3 HG SER 3 -22.070 2.462 -3.918 16 H TRP 4 HN TRP 4 -18.055 6.005 -4.945 17 HA TRP 4 HA TRP 4 -16.448 3.567 -5.023 18 1HB TRP 4 HB2 TRP 4 -16.611 5.899 -6.452 19 2HB TRP 4 HB1 TRP 4 -15.177 6.204 -5.474 20 HD1 TRP 4 HD1 TRP 4 -16.555 3.216 -7.534 21 HE1 TRP 4 HE1 TRP 4 -14.585 2.160 -8.820 22 HE3 TRP 4 HE3 TRP 4 -12.741 6.213 -5.928 23 HZ2 TRP 4 HZ2 TRP 4 -11.769 2.536 -9.128 24 HZ3 TRP 4 HZ3 TRP 4 -10.427 5.842 -6.736 25 HH2 TRP 4 HH2 TRP 4 -9.937 4.009 -8.331 26 H LEU 5 HN LEU 5 -16.898 6.091 -2.687 27 HA LEU 5 HA LEU 5 -14.334 6.255 -1.459 28 1HB LEU 5 HB2 LEU 5 -17.165 6.425 -0.369 29 2HB LEU 5 HB1 LEU 5 -15.739 6.883 0.560 30 HG LEU 5 HG LEU 5 -15.457 8.179 -1.928 31 1HD1 LEU 5 HD11 LEU 5 -18.294 8.204 -0.888 32 2HD1 LEU 5 HD12 LEU 5 -17.736 7.943 -2.541 33 3HD1 LEU 5 HD13 LEU 5 -17.643 9.550 -1.823 34 1HD2 LEU 5 HD21 LEU 5 -15.534 10.169 -0.594 35 2HD2 LEU 5 HD22 LEU 5 -14.866 8.914 0.448 36 3HD2 LEU 5 HD23 LEU 5 -16.554 9.398 0.620 37 H ARG 6 HN ARG 6 -16.904 3.825 -1.158 38 HA ARG 6 HA ARG 6 -15.613 2.400 1.054 39 1HB ARG 6 HB2 ARG 6 -18.092 2.391 -0.480 40 2HB ARG 6 HB1 ARG 6 -17.480 0.754 -0.261 41 1HG ARG 6 HG2 ARG 6 -18.834 1.173 1.654 42 2HG ARG 6 HG1 ARG 6 -17.172 1.361 2.213 43 1HD ARG 6 HD2 ARG 6 -18.527 3.808 1.147 44 2HD ARG 6 HD1 ARG 6 -19.031 3.221 2.744 45 HE ARG 6 HE ARG 6 -16.240 4.002 2.020 46 1HH1 ARG 6 HH21 ARG 6 -16.226 1.901 4.101 47 2HH1 ARG 6 HH22 ARG 6 -16.335 2.813 5.569 48 1HH2 ARG 6 HH11 ARG 6 -17.434 5.710 3.991 49 2HH2 ARG 6 HH12 ARG 6 -17.023 4.980 5.506 50 H ASP 7 HN ASP 7 -15.771 2.167 -2.474 51 HA ASP 7 HA ASP 7 -14.490 -0.406 -2.747 52 1HB ASP 7 HB2 ASP 7 -15.874 0.680 -4.473 53 2HB ASP 7 HB1 ASP 7 -14.710 1.999 -4.593 54 H ILE 8 HN ILE 8 -13.269 2.935 -2.526 55 HA ILE 8 HA ILE 8 -10.569 2.427 -3.325 56 HB ILE 8 HB ILE 8 -11.933 4.630 -2.906 57 1HG1 ILE 8 HG12 ILE 8 -9.636 5.737 -2.181 58 2HG1 ILE 8 HG11 ILE 8 -9.014 4.108 -2.439 59 1HG2 ILE 8 HG21 ILE 8 -10.497 4.713 -0.291 60 2HG2 ILE 8 HG22 ILE 8 -12.020 3.828 -0.348 61 3HG2 ILE 8 HG23 ILE 8 -11.977 5.534 -0.788 62 1HD1 ILE 8 HD11 ILE 8 -8.803 5.362 -4.513 63 2HD1 ILE 8 HD12 ILE 8 -10.507 5.811 -4.454 64 3HD1 ILE 8 HD13 ILE 8 -10.047 4.129 -4.720 65 H TRP 9 HN TRP 9 -12.251 1.771 -0.301 66 HA TRP 9 HA TRP 9 -10.078 1.652 1.518 67 1HB TRP 9 HB2 TRP 9 -12.527 1.473 2.028 68 2HB TRP 9 HB1 TRP 9 -12.511 -0.159 1.358 69 HD1 TRP 9 HD1 TRP 9 -12.632 -1.738 3.363 70 HE1 TRP 9 HE1 TRP 9 -11.328 -2.003 5.571 71 HE3 TRP 9 HE3 TRP 9 -9.691 2.434 3.163 72 HZ2 TRP 9 HZ2 TRP 9 -9.308 -0.628 7.057 73 HZ3 TRP 9 HZ3 TRP 9 -8.087 2.930 4.983 74 HH2 TRP 9 HH2 TRP 9 -7.893 1.406 6.929 75 H ASP 10 HN ASP 10 -11.310 -0.857 -0.724 76 HA ASP 10 HA ASP 10 -9.525 -2.955 0.089 77 1HB ASP 10 HB2 ASP 10 -11.481 -3.422 -1.242 78 2HB ASP 10 HB1 ASP 10 -10.980 -2.278 -2.487 79 H TRP 11 HN TRP 11 -9.283 -0.505 -2.515 80 HA TRP 11 HA TRP 11 -6.730 -1.268 -3.538 81 1HB TRP 11 HB2 TRP 11 -8.251 0.265 -4.677 82 2HB TRP 11 HB1 TRP 11 -8.160 1.405 -3.336 83 HD1 TRP 11 HD1 TRP 11 -5.898 -0.159 -6.039 84 HE1 TRP 11 HE1 TRP 11 -3.995 1.502 -6.556 85 HE3 TRP 11 HE3 TRP 11 -6.900 3.437 -2.557 86 HZ2 TRP 11 HZ2 TRP 11 -3.027 4.027 -5.615 87 HZ3 TRP 11 HZ3 TRP 11 -5.475 5.456 -2.388 88 HH2 TRP 11 HH2 TRP 11 -3.542 5.756 -3.910 89 H ILE 12 HN ILE 12 -7.643 0.916 -0.866 90 HA ILE 12 HA ILE 12 -5.050 1.935 -0.234 91 HB ILE 12 HB ILE 12 -7.607 1.409 1.304 92 1HG1 ILE 12 HG12 ILE 12 -6.290 4.061 0.742 93 2HG1 ILE 12 HG11 ILE 12 -7.230 3.254 -0.512 94 1HG2 ILE 12 HG21 ILE 12 -6.032 1.291 3.063 95 2HG2 ILE 12 HG22 ILE 12 -6.507 2.989 3.042 96 3HG2 ILE 12 HG23 ILE 12 -4.977 2.492 2.319 97 1HD1 ILE 12 HD11 ILE 12 -8.246 3.936 2.265 98 2HD1 ILE 12 HD12 ILE 12 -9.179 3.166 0.982 99 3HD1 ILE 12 HD13 ILE 12 -8.627 4.830 0.792 100 H CYS 13 HN CYS 13 -6.710 -1.075 0.697 101 HA CYS 13 HA CYS 13 -4.719 -1.999 2.585 102 1HB CYS 13 HB2 CYS 13 -7.147 -2.732 2.287 103 2HB CYS 13 HB1 CYS 13 -6.614 -3.631 0.866 104 HG CYS 13 HG CYS 13 -5.192 -5.166 2.375 105 H GLU 14 HN GLU 14 -5.213 -2.428 -0.926 106 HA GLU 14 HA GLU 14 -3.155 -4.366 -1.382 107 1HB GLU 14 HB2 GLU 14 -4.959 -2.630 -2.856 108 2HB GLU 14 HB1 GLU 14 -3.380 -2.687 -3.635 109 1HG GLU 14 HG2 GLU 14 -4.390 -4.546 -4.594 110 2HG GLU 14 HG1 GLU 14 -3.608 -5.288 -3.197 111 H VAL 15 HN VAL 15 -3.135 -0.812 -1.432 112 HA VAL 15 HA VAL 15 -0.406 -0.432 -2.223 113 HB VAL 15 HB VAL 15 -2.295 1.213 -0.497 114 1HG1 VAL 15 HG11 VAL 15 -0.266 2.248 -0.053 115 2HG1 VAL 15 HG12 VAL 15 -0.713 3.073 -1.546 116 3HG1 VAL 15 HG13 VAL 15 0.448 1.745 -1.586 117 1HG2 VAL 15 HG21 VAL 15 -3.280 1.859 -2.428 118 2HG2 VAL 15 HG22 VAL 15 -2.421 0.533 -3.209 119 3HG2 VAL 15 HG23 VAL 15 -1.722 2.152 -3.202 120 H LEU 16 HN LEU 16 -1.913 -1.147 0.898 121 HA LEU 16 HA LEU 16 0.271 -0.529 2.635 122 1HB LEU 16 HB2 LEU 16 -2.188 -1.131 3.123 123 2HB LEU 16 HB1 LEU 16 -1.692 -2.815 2.945 124 HG LEU 16 HG LEU 16 0.180 -2.202 4.651 125 1HD1 LEU 16 HD11 LEU 16 -1.786 0.076 4.962 126 2HD1 LEU 16 HD12 LEU 16 -0.041 0.175 4.731 127 3HD1 LEU 16 HD13 LEU 16 -0.696 -0.415 6.257 128 1HD2 LEU 16 HD21 LEU 16 -2.685 -2.226 5.642 129 2HD2 LEU 16 HD22 LEU 16 -1.259 -2.846 6.475 130 3HD2 LEU 16 HD23 LEU 16 -1.861 -3.662 5.032 131 H SER 17 HN SER 17 -0.476 -3.414 0.680 132 HA SER 17 HA SER 17 1.655 -5.071 1.755 133 1HB SER 17 HB2 SER 17 -0.385 -5.894 0.572 134 2HB SER 17 HB1 SER 17 0.189 -5.136 -0.910 135 HG SER 17 HG SER 17 1.797 -6.965 0.524 136 H ASP 18 HN ASP 18 1.331 -2.989 -1.141 137 HA ASP 18 HA ASP 18 3.965 -3.478 -2.193 138 1HB ASP 18 HB2 ASP 18 2.062 -2.498 -3.448 139 2HB ASP 18 HB1 ASP 18 2.131 -1.065 -2.421 140 H PHE 19 HN PHE 19 2.749 -1.366 0.357 141 HA PHE 19 HA PHE 19 4.828 0.541 0.572 142 1HB PHE 19 HB2 PHE 19 2.629 -0.501 2.105 143 2HB PHE 19 HB1 PHE 19 4.020 -0.322 3.170 144 HD1 PHE 19 HD1 PHE 19 5.343 1.930 2.989 145 HD2 PHE 19 HD2 PHE 19 1.328 1.371 1.572 146 HE1 PHE 19 HE1 PHE 19 4.982 4.382 3.047 147 HE2 PHE 19 HE2 PHE 19 0.965 3.822 1.630 148 HZ PHE 19 HZ PHE 19 2.792 5.329 2.367 149 H LYS 20 HN LYS 20 4.693 -2.845 1.645 150 HA LYS 20 HA LYS 20 7.054 -2.923 3.246 151 1HB LYS 20 HB2 LYS 20 5.225 -4.676 2.910 152 2HB LYS 20 HB1 LYS 20 6.008 -5.083 1.384 153 1HG LYS 20 HG2 LYS 20 6.833 -6.605 3.081 154 2HG LYS 20 HG1 LYS 20 8.137 -5.492 2.665 155 1HD LYS 20 HD2 LYS 20 7.932 -4.294 4.666 156 2HD LYS 20 HD1 LYS 20 6.273 -4.832 4.933 157 1HE LYS 20 HE2 LYS 20 7.312 -7.218 5.134 158 2HE LYS 20 HE1 LYS 20 8.839 -6.353 5.392 159 1HZ LYS 20 HZ1 LYS 20 7.782 -6.623 7.506 160 2HZ LYS 20 HZ2 LYS 20 6.309 -6.012 6.918 161 3HZ LYS 20 HZ3 LYS 20 7.656 -4.986 7.077 162 H THR 21 HN THR 21 6.610 -3.575 -0.264 163 HA THR 21 HA THR 21 9.449 -3.881 -0.805 164 HB THR 21 HB THR 21 7.909 -2.987 -3.091 165 HG1 THR 21 HG1 THR 21 6.068 -3.953 -2.821 166 1HG2 THR 21 HG21 THR 21 9.659 -4.492 -3.486 167 2HG2 THR 21 HG22 THR 21 8.228 -5.512 -3.634 168 3HG2 THR 21 HG23 THR 21 9.183 -5.544 -2.152 169 H TRP 22 HN TRP 22 7.128 -1.193 -1.021 170 HA TRP 22 HA TRP 22 8.752 0.777 -2.262 171 1HB TRP 22 HB2 TRP 22 6.260 0.751 -1.564 172 2HB TRP 22 HB1 TRP 22 6.826 1.267 0.021 173 HD1 TRP 22 HD1 TRP 22 6.304 2.492 -3.515 174 HE1 TRP 22 HE1 TRP 22 6.793 5.022 -3.618 175 HE3 TRP 22 HE3 TRP 22 8.315 3.191 1.125 176 HZ2 TRP 22 HZ2 TRP 22 7.894 7.070 -1.951 177 HZ3 TRP 22 HZ3 TRP 22 9.076 5.438 1.843 178 HH2 TRP 22 HH2 TRP 22 8.868 7.377 0.311 179 H LEU 23 HN LEU 23 8.271 0.131 1.227 180 HA LEU 23 HA LEU 23 10.184 2.004 2.225 181 1HB LEU 23 HB2 LEU 23 8.876 -0.527 3.191 182 2HB LEU 23 HB1 LEU 23 10.155 0.200 4.163 183 HG LEU 23 HG LEU 23 7.883 1.893 3.142 184 1HD1 LEU 23 HD11 LEU 23 6.781 1.461 5.377 185 2HD1 LEU 23 HD12 LEU 23 7.901 0.116 5.598 186 3HD1 LEU 23 HD13 LEU 23 6.743 0.089 4.269 187 1HD2 LEU 23 HD21 LEU 23 10.097 2.695 4.302 188 2HD2 LEU 23 HD22 LEU 23 9.325 2.114 5.778 189 3HD2 LEU 23 HD23 LEU 23 8.560 3.385 4.822 190 H LYS 24 HN LYS 24 10.548 -1.354 1.083 191 HA LYS 24 HA LYS 24 13.224 -1.826 1.982 192 1HB LYS 24 HB2 LYS 24 11.246 -3.183 0.630 193 2HB LYS 24 HB1 LYS 24 12.438 -2.933 -0.645 194 1HG LYS 24 HG2 LYS 24 13.876 -3.695 1.686 195 2HG LYS 24 HG1 LYS 24 12.515 -4.806 1.537 196 1HD LYS 24 HD2 LYS 24 14.066 -5.867 0.177 197 2HD LYS 24 HD1 LYS 24 13.247 -4.853 -1.010 198 1HE LYS 24 HE2 LYS 24 15.408 -3.397 0.314 199 2HE LYS 24 HE1 LYS 24 15.997 -4.861 -0.496 200 1HZ LYS 24 HZ1 LYS 24 15.845 -2.963 -2.026 201 2HZ LYS 24 HZ2 LYS 24 14.177 -2.852 -1.722 202 3HZ LYS 24 HZ3 LYS 24 14.815 -4.230 -2.487 203 H ALA 25 HN ALA 25 11.946 -0.206 -0.918 204 HA ALA 25 HA ALA 25 14.605 0.202 -2.111 205 1HB ALA 25 HB1 ALA 25 11.898 1.431 -2.741 206 2HB ALA 25 HB2 ALA 25 12.456 -0.116 -3.376 207 3HB ALA 25 HB3 ALA 25 13.296 1.371 -3.815 208 H LYS 26 HN LYS 26 12.357 1.973 -0.047 209 HA LYS 26 HA LYS 26 13.429 4.615 -0.325 210 1HB LYS 26 HB2 LYS 26 11.269 3.713 0.786 211 2HB LYS 26 HB1 LYS 26 12.281 3.414 2.201 212 1HG LYS 26 HG2 LYS 26 12.907 6.031 1.329 213 2HG LYS 26 HG1 LYS 26 11.148 5.906 1.285 214 1HD LYS 26 HD2 LYS 26 11.482 4.757 3.643 215 2HD LYS 26 HD1 LYS 26 13.008 5.641 3.622 216 1HE LYS 26 HE2 LYS 26 10.376 7.018 3.022 217 2HE LYS 26 HE1 LYS 26 11.005 6.872 4.674 218 1HZ LYS 26 HZ1 LYS 26 13.117 7.823 3.878 219 2HZ LYS 26 HZ2 LYS 26 11.819 8.903 3.687 220 3HZ LYS 26 HZ3 LYS 26 12.428 8.057 2.345 221 H LEU 27 HN LEU 27 14.716 1.780 1.218 222 HA LEU 27 HA LEU 27 16.266 2.792 3.344 223 1HB LEU 27 HB2 LEU 27 15.848 0.400 2.415 224 2HB LEU 27 HB1 LEU 27 17.236 0.719 1.374 225 HG LEU 27 HG LEU 27 18.393 1.454 3.621 226 1HD1 LEU 27 HD11 LEU 27 17.453 -0.247 5.408 227 2HD1 LEU 27 HD12 LEU 27 15.957 -0.071 4.491 228 3HD1 LEU 27 HD13 LEU 27 16.710 1.342 5.229 229 1HD2 LEU 27 HD21 LEU 27 19.327 -0.739 3.801 230 2HD2 LEU 27 HD22 LEU 27 18.866 -0.566 2.109 231 3HD2 LEU 27 HD23 LEU 27 17.849 -1.496 3.209 232 H MET 28 HN MET 28 16.816 3.050 -0.142 233 HA MET 28 HA MET 28 19.584 3.758 -0.143 234 1HB MET 28 HB2 MET 28 17.204 3.967 -1.904 235 2HB MET 28 HB1 MET 28 18.507 5.098 -2.265 236 1HG MET 28 HG2 MET 28 19.988 3.426 -2.845 237 2HG MET 28 HG1 MET 28 19.251 2.252 -1.755 238 1HE MET 28 HE1 MET 28 18.662 0.294 -4.915 239 2HE MET 28 HE2 MET 28 19.312 0.379 -3.280 240 3HE MET 28 HE3 MET 28 20.096 1.273 -4.580 241 HA PRO 29 HA PRO 29 19.659 7.889 1.348 242 1HB PRO 29 HB2 PRO 29 21.337 9.168 -0.408 243 2HB PRO 29 HB1 PRO 29 21.897 8.006 0.806 244 1HG PRO 29 HG2 PRO 29 21.433 7.617 -2.104 245 2HG PRO 29 HG1 PRO 29 22.707 6.962 -1.067 246 1HD PRO 29 HD2 PRO 29 20.533 5.527 -1.877 247 2HD PRO 29 HD1 PRO 29 21.417 5.208 -0.369 248 H GLN 30 HN GLN 30 20.107 9.057 -1.950 249 HA GLN 30 HA GLN 30 17.250 9.897 -2.115 250 1HB GLN 30 HB2 GLN 30 17.977 12.232 -2.493 251 2HB GLN 30 HB1 GLN 30 18.513 11.655 -0.917 252 1HG GLN 30 HG2 GLN 30 20.496 12.575 -1.663 253 2HG GLN 30 HG1 GLN 30 20.677 10.952 -2.324 254 1HE2 GLN 30 HE21 GLN 30 18.863 13.904 -3.400 255 2HE2 GLN 30 HE22 GLN 30 19.466 13.861 -4.985 256 H LEU 31 HN LEU 31 17.015 11.186 -4.333 257 HA LEU 31 HA LEU 31 18.499 9.628 -6.426 258 1HB LEU 31 HB2 LEU 31 16.014 9.276 -6.100 259 2HB LEU 31 HB1 LEU 31 15.775 10.959 -6.568 260 HG LEU 31 HG LEU 31 17.489 9.476 -8.435 261 1HD1 LEU 31 HD11 LEU 31 15.571 8.226 -9.443 262 2HD1 LEU 31 HD12 LEU 31 14.601 8.640 -8.029 263 3HD1 LEU 31 HD13 LEU 31 16.026 7.616 -7.851 264 1HD2 LEU 31 HD21 LEU 31 16.579 11.708 -8.900 265 2HD2 LEU 31 HD22 LEU 31 14.936 11.096 -8.712 266 3HD2 LEU 31 HD23 LEU 31 15.933 10.545 -10.058 Start of MODEL 30 1 1H SER 1 HT1 SER 1 -24.339 8.018 2.119 2 2H SER 1 HT2 SER 1 -23.241 9.206 1.601 3 3H SER 1 HT3 SER 1 -23.217 8.669 3.213 4 HA SER 1 HA SER 1 -21.385 7.642 2.068 5 1HB SER 1 HB2 SER 1 -22.102 5.288 2.495 6 2HB SER 1 HB1 SER 1 -22.625 6.382 3.773 7 HG SER 1 HG SER 1 -24.300 4.975 3.035 8 H GLY 2 HN GLY 2 -20.749 6.073 0.336 9 1HA GLY 2 HA2 GLY 2 -22.227 5.051 -1.746 10 2HA GLY 2 HA1 GLY 2 -22.040 6.745 -2.202 11 H SER 3 HN SER 3 -20.463 3.681 -1.945 12 HA SER 3 HA SER 3 -18.233 2.984 -2.373 13 1HB SER 3 HB2 SER 3 -17.636 3.729 -4.699 14 2HB SER 3 HB1 SER 3 -19.291 3.151 -4.546 15 HG SER 3 HG SER 3 -18.386 5.567 -5.303 16 H TRP 4 HN TRP 4 -18.083 5.031 -0.433 17 HA TRP 4 HA TRP 4 -15.840 6.775 -1.382 18 1HB TRP 4 HB2 TRP 4 -18.194 7.199 0.142 19 2HB TRP 4 HB1 TRP 4 -16.851 7.347 1.272 20 HD1 TRP 4 HD1 TRP 4 -18.675 9.226 -1.327 21 HE1 TRP 4 HE1 TRP 4 -17.428 11.406 -1.912 22 HE3 TRP 4 HE3 TRP 4 -14.198 8.322 0.959 23 HZ2 TRP 4 HZ2 TRP 4 -14.869 12.608 -1.466 24 HZ3 TRP 4 HZ3 TRP 4 -12.376 9.999 0.863 25 HH2 TRP 4 HH2 TRP 4 -12.706 12.139 -0.346 26 H LEU 5 HN LEU 5 -16.691 5.432 1.831 27 HA LEU 5 HA LEU 5 -13.846 4.807 2.331 28 1HB LEU 5 HB2 LEU 5 -15.602 5.869 3.922 29 2HB LEU 5 HB1 LEU 5 -16.220 4.228 4.112 30 HG LEU 5 HG LEU 5 -13.633 3.701 4.527 31 1HD1 LEU 5 HD11 LEU 5 -13.989 6.612 5.294 32 2HD1 LEU 5 HD12 LEU 5 -12.799 5.941 4.178 33 3HD1 LEU 5 HD13 LEU 5 -12.684 5.595 5.904 34 1HD2 LEU 5 HD21 LEU 5 -14.088 3.909 6.943 35 2HD2 LEU 5 HD22 LEU 5 -15.492 3.257 6.098 36 3HD2 LEU 5 HD23 LEU 5 -15.470 4.949 6.598 37 H ARG 6 HN ARG 6 -16.411 3.189 0.850 38 HA ARG 6 HA ARG 6 -15.659 0.496 1.868 39 1HB ARG 6 HB2 ARG 6 -18.051 1.550 1.441 40 2HB ARG 6 HB1 ARG 6 -17.738 1.069 -0.227 41 1HG ARG 6 HG2 ARG 6 -16.975 -1.139 1.355 42 2HG ARG 6 HG1 ARG 6 -18.505 -0.578 2.028 43 1HD ARG 6 HD2 ARG 6 -18.974 -0.439 -0.700 44 2HD ARG 6 HD1 ARG 6 -17.986 -1.903 -0.545 45 HE ARG 6 HE ARG 6 -19.898 -1.937 1.560 46 1HH1 ARG 6 HH21 ARG 6 -19.597 -4.271 -0.187 47 2HH1 ARG 6 HH22 ARG 6 -21.068 -4.283 -1.100 48 1HH2 ARG 6 HH11 ARG 6 -21.865 -0.983 -0.348 49 2HH2 ARG 6 HH12 ARG 6 -22.359 -2.412 -1.191 50 H ASP 7 HN ASP 7 -15.118 2.598 -0.864 51 HA ASP 7 HA ASP 7 -14.244 0.336 -2.601 52 1HB ASP 7 HB2 ASP 7 -15.669 1.919 -3.679 53 2HB ASP 7 HB1 ASP 7 -14.813 3.287 -2.970 54 H ILE 8 HN ILE 8 -13.000 3.480 -1.400 55 HA ILE 8 HA ILE 8 -10.344 3.274 -2.355 56 HB ILE 8 HB ILE 8 -11.519 4.565 0.133 57 1HG1 ILE 8 HG12 ILE 8 -10.743 5.805 -2.526 58 2HG1 ILE 8 HG11 ILE 8 -12.373 5.231 -2.180 59 1HG2 ILE 8 HG21 ILE 8 -9.280 4.721 0.666 60 2HG2 ILE 8 HG22 ILE 8 -9.385 6.099 -0.429 61 3HG2 ILE 8 HG23 ILE 8 -8.760 4.557 -1.012 62 1HD1 ILE 8 HD11 ILE 8 -10.852 7.431 -0.763 63 2HD1 ILE 8 HD12 ILE 8 -12.334 6.725 -0.118 64 3HD1 ILE 8 HD13 ILE 8 -12.361 7.571 -1.665 65 H TRP 9 HN TRP 9 -11.773 1.951 0.642 66 HA TRP 9 HA TRP 9 -9.452 1.151 2.025 67 1HB TRP 9 HB2 TRP 9 -11.706 0.996 2.936 68 2HB TRP 9 HB1 TRP 9 -12.160 -0.184 1.707 69 HD1 TRP 9 HD1 TRP 9 -12.458 -2.373 2.986 70 HE1 TRP 9 HE1 TRP 9 -11.006 -3.768 4.596 71 HE3 TRP 9 HE3 TRP 9 -8.553 0.850 3.681 72 HZ2 TRP 9 HZ2 TRP 9 -8.521 -3.548 5.994 73 HZ3 TRP 9 HZ3 TRP 9 -6.661 0.231 5.153 74 HH2 TRP 9 HH2 TRP 9 -6.639 -1.961 6.311 75 H ASP 10 HN ASP 10 -11.234 -0.674 -0.503 76 HA ASP 10 HA ASP 10 -9.580 -3.002 -0.524 77 1HB ASP 10 HB2 ASP 10 -11.828 -2.659 -1.607 78 2HB ASP 10 HB1 ASP 10 -11.036 -1.664 -2.831 79 H TRP 11 HN TRP 11 -9.361 0.043 -2.383 80 HA TRP 11 HA TRP 11 -7.044 -0.669 -3.937 81 1HB TRP 11 HB2 TRP 11 -8.632 1.162 -4.454 82 2HB TRP 11 HB1 TRP 11 -8.124 2.015 -2.998 83 HD1 TRP 11 HD1 TRP 11 -6.983 1.122 -6.513 84 HE1 TRP 11 HE1 TRP 11 -4.898 2.522 -7.099 85 HE3 TRP 11 HE3 TRP 11 -6.041 3.243 -1.965 86 HZ2 TRP 11 HZ2 TRP 11 -3.072 4.307 -5.808 87 HZ3 TRP 11 HZ3 TRP 11 -4.124 4.787 -1.670 88 HH2 TRP 11 HH2 TRP 11 -2.640 5.321 -3.583 89 H ILE 12 HN ILE 12 -7.450 0.915 -0.761 90 HA ILE 12 HA ILE 12 -4.725 1.661 -0.312 91 HB ILE 12 HB ILE 12 -7.049 0.889 1.479 92 1HG1 ILE 12 HG12 ILE 12 -5.711 3.579 1.141 93 2HG1 ILE 12 HG11 ILE 12 -6.983 3.038 0.044 94 1HG2 ILE 12 HG21 ILE 12 -4.218 1.600 2.187 95 2HG2 ILE 12 HG22 ILE 12 -5.307 0.447 2.961 96 3HG2 ILE 12 HG23 ILE 12 -5.528 2.178 3.219 97 1HD1 ILE 12 HD11 ILE 12 -8.599 2.962 1.765 98 2HD1 ILE 12 HD12 ILE 12 -7.692 4.434 2.109 99 3HD1 ILE 12 HD13 ILE 12 -7.375 2.967 3.035 100 H CYS 13 HN CYS 13 -6.480 -1.389 0.305 101 HA CYS 13 HA CYS 13 -4.317 -2.772 1.621 102 1HB CYS 13 HB2 CYS 13 -6.777 -3.347 1.606 103 2HB CYS 13 HB1 CYS 13 -6.591 -3.877 -0.066 104 HG CYS 13 HG CYS 13 -5.872 -5.527 2.329 105 H GLU 14 HN GLU 14 -5.279 -2.395 -1.784 106 HA GLU 14 HA GLU 14 -3.495 -4.303 -2.956 107 1HB GLU 14 HB2 GLU 14 -5.304 -2.175 -3.709 108 2HB GLU 14 HB1 GLU 14 -3.834 -2.071 -4.673 109 1HG GLU 14 HG2 GLU 14 -4.174 -4.132 -5.671 110 2HG GLU 14 HG1 GLU 14 -5.088 -4.761 -4.298 111 H VAL 15 HN VAL 15 -3.087 -0.949 -1.948 112 HA VAL 15 HA VAL 15 -0.335 -0.778 -3.013 113 HB VAL 15 HB VAL 15 -1.961 1.140 -1.304 114 1HG1 VAL 15 HG11 VAL 15 0.522 1.438 -3.009 115 2HG1 VAL 15 HG12 VAL 15 0.344 1.782 -1.289 116 3HG1 VAL 15 HG13 VAL 15 -0.440 2.818 -2.480 117 1HG2 VAL 15 HG21 VAL 15 -2.372 0.288 -4.010 118 2HG2 VAL 15 HG22 VAL 15 -1.787 1.951 -4.041 119 3HG2 VAL 15 HG23 VAL 15 -3.234 1.541 -3.121 120 H LEU 16 HN LEU 16 -1.976 -1.402 0.040 121 HA LEU 16 HA LEU 16 -0.001 -0.775 1.946 122 1HB LEU 16 HB2 LEU 16 -2.375 -1.604 2.269 123 2HB LEU 16 HB1 LEU 16 -1.785 -3.228 1.915 124 HG LEU 16 HG LEU 16 -0.024 -2.724 3.784 125 1HD1 LEU 16 HD11 LEU 16 -0.927 -1.197 5.527 126 2HD1 LEU 16 HD12 LEU 16 -2.228 -0.739 4.427 127 3HD1 LEU 16 HD13 LEU 16 -0.556 -0.342 4.030 128 1HD2 LEU 16 HD21 LEU 16 -1.702 -4.442 4.052 129 2HD2 LEU 16 HD22 LEU 16 -2.967 -3.238 4.302 130 3HD2 LEU 16 HD23 LEU 16 -1.711 -3.464 5.519 131 H SER 17 HN SER 17 -0.364 -3.825 0.084 132 HA SER 17 HA SER 17 1.855 -5.218 1.226 133 1HB SER 17 HB2 SER 17 1.708 -6.464 -1.005 134 2HB SER 17 HB1 SER 17 0.209 -6.372 -0.087 135 HG SER 17 HG SER 17 -0.180 -5.797 -2.228 136 H ASP 18 HN ASP 18 1.655 -3.067 -1.627 137 HA ASP 18 HA ASP 18 4.477 -3.296 -2.301 138 1HB ASP 18 HB2 ASP 18 2.704 -2.699 -3.914 139 2HB ASP 18 HB1 ASP 18 2.350 -1.237 -2.993 140 H PHE 19 HN PHE 19 2.530 -1.089 -0.315 141 HA PHE 19 HA PHE 19 4.284 1.065 0.087 142 1HB PHE 19 HB2 PHE 19 1.921 0.021 1.179 143 2HB PHE 19 HB1 PHE 19 3.022 0.132 2.549 144 HD1 PHE 19 HD1 PHE 19 4.482 2.397 2.568 145 HD2 PHE 19 HD2 PHE 19 0.661 1.908 0.666 146 HE1 PHE 19 HE1 PHE 19 4.124 4.848 2.658 147 HE2 PHE 19 HE2 PHE 19 0.304 4.360 0.756 148 HZ PHE 19 HZ PHE 19 2.035 5.831 1.753 149 H LYS 20 HN LYS 20 4.224 -2.067 1.823 150 HA LYS 20 HA LYS 20 6.404 -1.520 3.608 151 1HB LYS 20 HB2 LYS 20 4.567 -3.438 3.409 152 2HB LYS 20 HB1 LYS 20 5.851 -4.266 2.527 153 1HG LYS 20 HG2 LYS 20 6.597 -2.964 5.107 154 2HG LYS 20 HG1 LYS 20 5.625 -4.431 5.199 155 1HD LYS 20 HD2 LYS 20 7.856 -4.604 3.284 156 2HD LYS 20 HD1 LYS 20 8.367 -4.381 4.957 157 1HE LYS 20 HE2 LYS 20 6.218 -6.403 4.414 158 2HE LYS 20 HE1 LYS 20 7.893 -6.828 4.011 159 1HZ LYS 20 HZ1 LYS 20 8.562 -6.128 6.238 160 2HZ LYS 20 HZ2 LYS 20 7.408 -7.371 6.318 161 3HZ LYS 20 HZ3 LYS 20 6.951 -5.765 6.628 162 H THR 21 HN THR 21 6.315 -3.090 0.383 163 HA THR 21 HA THR 21 9.154 -3.630 0.255 164 HB THR 21 HB THR 21 7.219 -3.188 -2.040 165 HG1 THR 21 HG1 THR 21 6.179 -4.874 -1.389 166 1HG2 THR 21 HG21 THR 21 8.705 -4.356 -3.327 167 2HG2 THR 21 HG22 THR 21 9.203 -5.395 -1.992 168 3HG2 THR 21 HG23 THR 21 9.860 -3.765 -2.133 169 H TRP 22 HN TRP 22 7.110 -0.919 -0.834 170 HA TRP 22 HA TRP 22 8.993 0.562 -2.347 171 1HB TRP 22 HB2 TRP 22 6.456 0.888 -1.797 172 2HB TRP 22 HB1 TRP 22 7.036 1.805 -0.411 173 HD1 TRP 22 HD1 TRP 22 6.539 2.025 -4.123 174 HE1 TRP 22 HE1 TRP 22 7.298 4.342 -4.965 175 HE3 TRP 22 HE3 TRP 22 8.877 3.766 0.071 176 HZ2 TRP 22 HZ2 TRP 22 8.710 6.629 -3.988 177 HZ3 TRP 22 HZ3 TRP 22 9.919 6.015 0.087 178 HH2 TRP 22 HH2 TRP 22 9.838 7.448 -1.935 179 H LEU 23 HN LEU 23 8.301 0.706 1.152 180 HA LEU 23 HA LEU 23 10.399 2.617 1.762 181 1HB LEU 23 HB2 LEU 23 8.385 0.947 3.147 182 2HB LEU 23 HB1 LEU 23 9.819 1.310 4.106 183 HG LEU 23 HG LEU 23 9.421 3.763 3.177 184 1HD1 LEU 23 HD11 LEU 23 6.626 2.581 3.170 185 2HD1 LEU 23 HD12 LEU 23 7.525 3.035 1.721 186 3HD1 LEU 23 HD13 LEU 23 7.051 4.269 2.888 187 1HD2 LEU 23 HD21 LEU 23 7.667 2.572 5.350 188 2HD2 LEU 23 HD22 LEU 23 8.170 4.257 5.214 189 3HD2 LEU 23 HD23 LEU 23 9.363 3.006 5.564 190 H LYS 24 HN LYS 24 10.196 -0.950 1.844 191 HA LYS 24 HA LYS 24 12.755 -1.368 3.135 192 1HB LYS 24 HB2 LYS 24 10.813 -3.005 1.510 193 2HB LYS 24 HB1 LYS 24 12.353 -3.695 2.020 194 1HG LYS 24 HG2 LYS 24 10.768 -2.277 4.106 195 2HG LYS 24 HG1 LYS 24 10.139 -3.827 3.548 196 1HD LYS 24 HD2 LYS 24 11.711 -4.952 4.699 197 2HD LYS 24 HD1 LYS 24 12.999 -3.999 3.965 198 1HE LYS 24 HE2 LYS 24 13.096 -2.515 5.735 199 2HE LYS 24 HE1 LYS 24 11.363 -2.665 6.087 200 1HZ LYS 24 HZ1 LYS 24 13.359 -4.828 6.509 201 2HZ LYS 24 HZ2 LYS 24 11.714 -4.867 6.936 202 3HZ LYS 24 HZ3 LYS 24 12.779 -3.812 7.740 203 H ALA 25 HN ALA 25 11.735 -1.085 -0.263 204 HA ALA 25 HA ALA 25 14.423 -1.761 -1.274 205 1HB ALA 25 HB1 ALA 25 11.929 -0.703 -2.644 206 2HB ALA 25 HB2 ALA 25 12.295 -2.410 -2.395 207 3HB ALA 25 HB3 ALA 25 13.320 -1.433 -3.445 208 H LYS 26 HN LYS 26 12.890 1.080 -0.095 209 HA LYS 26 HA LYS 26 14.551 2.882 -1.789 210 1HB LYS 26 HB2 LYS 26 12.123 3.292 -1.524 211 2HB LYS 26 HB1 LYS 26 12.336 3.404 0.224 212 1HG LYS 26 HG2 LYS 26 12.282 5.653 -0.681 213 2HG LYS 26 HG1 LYS 26 13.928 5.308 -0.155 214 1HD LYS 26 HD2 LYS 26 14.588 5.918 -2.228 215 2HD LYS 26 HD1 LYS 26 13.881 4.404 -2.789 216 1HE LYS 26 HE2 LYS 26 12.878 6.128 -4.131 217 2HE LYS 26 HE1 LYS 26 11.646 5.686 -2.932 218 1HZ LYS 26 HZ1 LYS 26 12.055 8.123 -3.100 219 2HZ LYS 26 HZ2 LYS 26 13.635 7.861 -2.535 220 3HZ LYS 26 HZ3 LYS 26 12.302 7.494 -1.546 221 H LEU 27 HN LEU 27 13.776 2.412 1.699 222 HA LEU 27 HA LEU 27 16.502 3.514 2.328 223 1HB LEU 27 HB2 LEU 27 14.030 4.612 2.882 224 2HB LEU 27 HB1 LEU 27 14.389 3.743 4.373 225 HG LEU 27 HG LEU 27 15.245 6.045 4.488 226 1HD1 LEU 27 HD11 LEU 27 17.556 4.116 4.149 227 2HD1 LEU 27 HD12 LEU 27 16.493 4.121 5.556 228 3HD1 LEU 27 HD13 LEU 27 17.489 5.532 5.199 229 1HD2 LEU 27 HD21 LEU 27 17.095 5.312 2.206 230 2HD2 LEU 27 HD22 LEU 27 16.872 6.895 2.951 231 3HD2 LEU 27 HD23 LEU 27 15.589 6.196 1.962 232 H MET 28 HN MET 28 13.867 1.428 3.601 233 HA MET 28 HA MET 28 13.947 -0.512 4.937 234 1HB MET 28 HB2 MET 28 15.667 -0.796 2.863 235 2HB MET 28 HB1 MET 28 16.800 -0.955 4.204 236 1HG MET 28 HG2 MET 28 15.045 -2.608 5.190 237 2HG MET 28 HG1 MET 28 14.411 -2.666 3.544 238 1HE MET 28 HE1 MET 28 16.984 -4.219 5.972 239 2HE MET 28 HE2 MET 28 17.544 -2.586 5.622 240 3HE MET 28 HE3 MET 28 18.502 -3.970 5.100 241 HA PRO 29 HA PRO 29 16.552 1.835 8.051 242 1HB PRO 29 HB2 PRO 29 14.499 2.759 9.611 243 2HB PRO 29 HB1 PRO 29 15.137 3.654 8.220 244 1HG PRO 29 HG2 PRO 29 12.669 2.023 8.452 245 2HG PRO 29 HG1 PRO 29 12.961 3.509 7.537 246 1HD PRO 29 HD2 PRO 29 12.893 0.987 6.439 247 2HD PRO 29 HD1 PRO 29 13.724 2.381 5.717 248 H GLN 30 HN GLN 30 15.650 1.676 10.711 249 HA GLN 30 HA GLN 30 16.198 -1.001 11.469 250 1HB GLN 30 HB2 GLN 30 15.901 1.439 12.684 251 2HB GLN 30 HB1 GLN 30 14.465 0.595 13.263 252 1HG GLN 30 HG2 GLN 30 16.834 -1.108 13.349 253 2HG GLN 30 HG1 GLN 30 17.038 0.356 14.311 254 1HE2 GLN 30 HE21 GLN 30 14.844 0.870 15.648 255 2HE2 GLN 30 HE22 GLN 30 14.193 -0.474 16.454 256 H LEU 31 HN LEU 31 14.809 -2.698 12.220 257 HA LEU 31 HA LEU 31 12.917 -4.098 12.128 258 1HB LEU 31 HB2 LEU 31 11.822 -1.320 12.596 259 2HB LEU 31 HB1 LEU 31 10.743 -2.711 12.506 260 HG LEU 31 HG LEU 31 13.150 -2.920 14.270 261 1HD1 LEU 31 HD11 LEU 31 12.239 -0.714 14.842 262 2HD1 LEU 31 HD12 LEU 31 11.881 -1.868 16.126 263 3HD1 LEU 31 HD13 LEU 31 10.621 -1.402 14.983 264 1HD2 LEU 31 HD21 LEU 31 10.268 -3.810 14.609 265 2HD2 LEU 31 HD22 LEU 31 11.657 -4.337 15.559 266 3HD2 LEU 31 HD23 LEU 31 11.524 -4.798 13.862 Start of MODEL 31 1 1H SER 1 HT1 SER 1 -27.143 0.116 2.296 2 2H SER 1 HT2 SER 1 -25.677 0.975 2.373 3 3H SER 1 HT3 SER 1 -25.805 -0.408 1.396 4 HA SER 1 HA SER 1 -27.328 0.695 -0.092 5 1HB SER 1 HB2 SER 1 -27.041 2.946 1.926 6 2HB SER 1 HB1 SER 1 -27.989 3.022 0.443 7 HG SER 1 HG SER 1 -29.385 2.440 2.050 8 H GLY 2 HN GLY 2 -26.231 1.431 -1.896 9 1HA GLY 2 HA2 GLY 2 -24.624 2.601 -3.176 10 2HA GLY 2 HA1 GLY 2 -24.054 3.370 -1.695 11 H SER 3 HN SER 3 -21.869 2.907 -2.595 12 HA SER 3 HA SER 3 -20.844 0.339 -1.565 13 1HB SER 3 HB2 SER 3 -21.740 0.097 -3.987 14 2HB SER 3 HB1 SER 3 -20.349 1.072 -4.456 15 HG SER 3 HG SER 3 -19.028 -0.521 -3.899 16 H TRP 4 HN TRP 4 -20.131 2.601 -0.388 17 HA TRP 4 HA TRP 4 -17.530 3.450 -1.618 18 1HB TRP 4 HB2 TRP 4 -19.809 4.821 -0.320 19 2HB TRP 4 HB1 TRP 4 -18.224 5.375 0.206 20 HD1 TRP 4 HD1 TRP 4 -20.443 5.119 -2.887 21 HE1 TRP 4 HE1 TRP 4 -19.506 6.674 -4.717 22 HE3 TRP 4 HE3 TRP 4 -16.065 6.549 -0.675 23 HZ2 TRP 4 HZ2 TRP 4 -17.205 8.310 -5.181 24 HZ3 TRP 4 HZ3 TRP 4 -14.522 8.105 -1.833 25 HH2 TRP 4 HH2 TRP 4 -15.086 8.986 -4.081 26 H LEU 5 HN LEU 5 -16.137 4.439 0.350 27 HA LEU 5 HA LEU 5 -14.921 4.052 2.325 28 1HB LEU 5 HB2 LEU 5 -17.650 3.553 2.888 29 2HB LEU 5 HB1 LEU 5 -16.749 2.233 3.636 30 HG LEU 5 HG LEU 5 -15.165 4.300 4.349 31 1HD1 LEU 5 HD11 LEU 5 -17.980 5.420 4.183 32 2HD1 LEU 5 HD12 LEU 5 -16.578 5.990 3.278 33 3HD1 LEU 5 HD13 LEU 5 -16.637 6.187 5.030 34 1HD2 LEU 5 HD21 LEU 5 -16.251 4.197 6.530 35 2HD2 LEU 5 HD22 LEU 5 -16.252 2.584 5.819 36 3HD2 LEU 5 HD23 LEU 5 -17.724 3.554 5.802 37 H ARG 6 HN ARG 6 -16.690 0.941 1.891 38 HA ARG 6 HA ARG 6 -14.478 -0.737 2.511 39 1HB ARG 6 HB2 ARG 6 -17.166 -0.918 1.314 40 2HB ARG 6 HB1 ARG 6 -16.065 -2.177 0.767 41 1HG ARG 6 HG2 ARG 6 -16.369 -1.502 3.695 42 2HG ARG 6 HG1 ARG 6 -17.425 -2.667 2.898 43 1HD ARG 6 HD2 ARG 6 -15.828 -4.232 3.292 44 2HD ARG 6 HD1 ARG 6 -14.814 -3.389 2.105 45 HE ARG 6 HE ARG 6 -14.434 -1.851 4.331 46 1HH1 ARG 6 HH11 ARG 6 -12.214 -3.590 3.502 47 2HH1 ARG 6 HH12 ARG 6 -12.004 -4.643 4.861 48 1HH2 ARG 6 HH21 ARG 6 -15.124 -3.933 6.224 49 2HH2 ARG 6 HH22 ARG 6 -13.660 -4.839 6.408 50 H ASP 7 HN ASP 7 -15.661 0.458 -0.647 51 HA ASP 7 HA ASP 7 -13.706 -0.899 -2.273 52 1HB ASP 7 HB2 ASP 7 -15.752 -0.042 -3.219 53 2HB ASP 7 HB1 ASP 7 -15.425 1.578 -2.607 54 H ILE 8 HN ILE 8 -13.780 2.318 -0.725 55 HA ILE 8 HA ILE 8 -11.391 3.398 -1.860 56 HB ILE 8 HB ILE 8 -12.790 3.765 0.812 57 1HG1 ILE 8 HG12 ILE 8 -14.069 4.390 -1.233 58 2HG1 ILE 8 HG11 ILE 8 -13.688 5.793 -0.235 59 1HG2 ILE 8 HG21 ILE 8 -10.524 5.350 -0.429 60 2HG2 ILE 8 HG22 ILE 8 -10.509 4.504 1.118 61 3HG2 ILE 8 HG23 ILE 8 -11.514 5.937 0.908 62 1HD1 ILE 8 HD11 ILE 8 -13.245 6.317 -2.581 63 2HD1 ILE 8 HD12 ILE 8 -12.196 4.908 -2.725 64 3HD1 ILE 8 HD13 ILE 8 -11.721 6.258 -1.695 65 H TRP 9 HN TRP 9 -11.906 1.417 1.081 66 HA TRP 9 HA TRP 9 -9.133 1.392 1.900 67 1HB TRP 9 HB2 TRP 9 -11.130 0.884 3.329 68 2HB TRP 9 HB1 TRP 9 -11.356 -0.612 2.421 69 HD1 TRP 9 HD1 TRP 9 -10.230 -2.644 3.436 70 HE1 TRP 9 HE1 TRP 9 -8.243 -3.063 5.021 71 HE3 TRP 9 HE3 TRP 9 -8.589 2.149 4.081 72 HZ2 TRP 9 HZ2 TRP 9 -6.220 -1.565 6.381 73 HZ3 TRP 9 HZ3 TRP 9 -6.632 2.624 5.525 74 HH2 TRP 9 HH2 TRP 9 -5.446 0.775 6.674 75 H ASP 10 HN ASP 10 -11.094 -0.662 -0.239 76 HA ASP 10 HA ASP 10 -9.313 -2.856 -0.571 77 1HB ASP 10 HB2 ASP 10 -11.720 -2.488 -1.395 78 2HB ASP 10 HB1 ASP 10 -11.014 -1.575 -2.729 79 H TRP 11 HN TRP 11 -9.491 0.281 -2.281 80 HA TRP 11 HA TRP 11 -7.253 -0.240 -4.050 81 1HB TRP 11 HB2 TRP 11 -8.960 1.428 -4.556 82 2HB TRP 11 HB1 TRP 11 -8.615 2.291 -3.056 83 HD1 TRP 11 HD1 TRP 11 -6.899 1.345 -6.378 84 HE1 TRP 11 HE1 TRP 11 -5.112 3.127 -6.901 85 HE3 TRP 11 HE3 TRP 11 -7.223 4.186 -2.149 86 HZ2 TRP 11 HZ2 TRP 11 -3.971 5.454 -5.687 87 HZ3 TRP 11 HZ3 TRP 11 -5.776 6.177 -1.857 88 HH2 TRP 11 HH2 TRP 11 -4.152 6.813 -3.619 89 H ILE 12 HN ILE 12 -7.618 1.385 -0.886 90 HA ILE 12 HA ILE 12 -4.940 2.337 -0.587 91 HB ILE 12 HB ILE 12 -7.129 1.442 1.311 92 1HG1 ILE 12 HG12 ILE 12 -5.933 4.182 0.809 93 2HG1 ILE 12 HG11 ILE 12 -7.324 3.561 -0.078 94 1HG2 ILE 12 HG21 ILE 12 -5.703 2.679 3.065 95 2HG2 ILE 12 HG22 ILE 12 -4.355 2.462 1.948 96 3HG2 ILE 12 HG23 ILE 12 -5.182 1.055 2.618 97 1HD1 ILE 12 HD11 ILE 12 -8.632 3.389 1.933 98 2HD1 ILE 12 HD12 ILE 12 -7.901 4.994 1.934 99 3HD1 ILE 12 HD13 ILE 12 -7.226 3.716 2.945 100 H CYS 13 HN CYS 13 -6.432 -0.825 0.104 101 HA CYS 13 HA CYS 13 -4.160 -2.067 1.357 102 1HB CYS 13 HB2 CYS 13 -6.628 -2.784 1.245 103 2HB CYS 13 HB1 CYS 13 -6.270 -3.392 -0.371 104 HG CYS 13 HG CYS 13 -4.616 -5.103 0.657 105 H GLU 14 HN GLU 14 -5.185 -1.731 -2.044 106 HA GLU 14 HA GLU 14 -3.293 -3.463 -3.285 107 1HB GLU 14 HB2 GLU 14 -5.307 -2.196 -4.240 108 2HB GLU 14 HB1 GLU 14 -4.258 -0.785 -4.317 109 1HG GLU 14 HG2 GLU 14 -2.717 -2.784 -5.479 110 2HG GLU 14 HG1 GLU 14 -4.343 -3.126 -6.071 111 H VAL 15 HN VAL 15 -3.108 -0.002 -2.537 112 HA VAL 15 HA VAL 15 -0.340 0.305 -3.393 113 HB VAL 15 HB VAL 15 -2.054 2.015 -1.553 114 1HG1 VAL 15 HG11 VAL 15 -0.496 3.714 -3.010 115 2HG1 VAL 15 HG12 VAL 15 0.588 2.332 -2.851 116 3HG1 VAL 15 HG13 VAL 15 -0.061 3.113 -1.410 117 1HG2 VAL 15 HG21 VAL 15 -3.388 2.048 -3.427 118 2HG2 VAL 15 HG22 VAL 15 -2.072 1.571 -4.500 119 3HG2 VAL 15 HG23 VAL 15 -2.203 3.243 -3.956 120 H LEU 16 HN LEU 16 -1.965 -0.442 -0.334 121 HA LEU 16 HA LEU 16 0.142 0.042 1.510 122 1HB LEU 16 HB2 LEU 16 -2.441 -0.954 1.531 123 2HB LEU 16 HB1 LEU 16 -1.493 -2.363 1.992 124 HG LEU 16 HG LEU 16 -2.118 -1.131 3.997 125 1HD1 LEU 16 HD11 LEU 16 0.784 -0.471 3.483 126 2HD1 LEU 16 HD12 LEU 16 0.234 -2.132 3.706 127 3HD1 LEU 16 HD13 LEU 16 0.024 -0.952 5.000 128 1HD2 LEU 16 HD21 LEU 16 -1.592 1.183 4.335 129 2HD2 LEU 16 HD22 LEU 16 -2.351 1.079 2.746 130 3HD2 LEU 16 HD23 LEU 16 -0.600 1.238 2.878 131 H SER 17 HN SER 17 -0.605 -2.940 -0.354 132 HA SER 17 HA SER 17 1.499 -4.552 0.725 133 1HB SER 17 HB2 SER 17 1.091 -5.904 -1.321 134 2HB SER 17 HB1 SER 17 -0.418 -5.403 -0.566 135 HG SER 17 HG SER 17 -0.847 -4.196 -2.248 136 H ASP 18 HN ASP 18 1.429 -2.338 -2.083 137 HA ASP 18 HA ASP 18 4.159 -2.894 -2.915 138 1HB ASP 18 HB2 ASP 18 2.529 -1.995 -4.468 139 2HB ASP 18 HB1 ASP 18 2.196 -0.628 -3.403 140 H PHE 19 HN PHE 19 2.619 -0.415 -0.855 141 HA PHE 19 HA PHE 19 4.867 1.256 -0.370 142 1HB PHE 19 HB2 PHE 19 2.222 0.930 0.527 143 2HB PHE 19 HB1 PHE 19 3.207 0.789 1.982 144 HD1 PHE 19 HD1 PHE 19 1.854 3.039 -0.489 145 HD2 PHE 19 HD2 PHE 19 4.944 2.598 2.462 146 HE1 PHE 19 HE1 PHE 19 2.183 5.498 -0.466 147 HE2 PHE 19 HE2 PHE 19 5.273 5.056 2.485 148 HZ PHE 19 HZ PHE 19 3.892 6.506 1.022 149 H LYS 20 HN LYS 20 3.873 -1.807 1.126 150 HA LYS 20 HA LYS 20 5.734 -1.946 3.271 151 1HB LYS 20 HB2 LYS 20 3.782 -3.445 2.830 152 2HB LYS 20 HB1 LYS 20 4.658 -4.146 1.469 153 1HG LYS 20 HG2 LYS 20 6.523 -4.679 3.165 154 2HG LYS 20 HG1 LYS 20 5.324 -4.328 4.410 155 1HD LYS 20 HD2 LYS 20 5.057 -6.634 4.115 156 2HD LYS 20 HD1 LYS 20 3.811 -5.981 3.051 157 1HE LYS 20 HE2 LYS 20 5.610 -6.064 1.188 158 2HE LYS 20 HE1 LYS 20 6.508 -7.126 2.293 159 1HZ LYS 20 HZ1 LYS 20 4.558 -8.536 2.489 160 2HZ LYS 20 HZ2 LYS 20 5.012 -8.400 0.858 161 3HZ LYS 20 HZ3 LYS 20 3.682 -7.523 1.446 162 H THR 21 HN THR 21 6.049 -3.037 -0.138 163 HA THR 21 HA THR 21 8.778 -3.979 0.150 164 HB THR 21 HB THR 21 7.548 -3.016 -2.428 165 HG1 THR 21 HG1 THR 21 6.865 -5.403 -1.050 166 1HG2 THR 21 HG21 THR 21 8.710 -4.916 -3.353 167 2HG2 THR 21 HG22 THR 21 9.068 -5.544 -1.745 168 3HG2 THR 21 HG23 THR 21 9.840 -4.060 -2.303 169 H TRP 22 HN TRP 22 7.294 -0.890 -0.782 170 HA TRP 22 HA TRP 22 9.534 0.492 -1.831 171 1HB TRP 22 HB2 TRP 22 6.979 1.081 -1.428 172 2HB TRP 22 HB1 TRP 22 7.592 1.797 0.059 173 HD1 TRP 22 HD1 TRP 22 7.794 2.138 -3.740 174 HE1 TRP 22 HE1 TRP 22 8.777 4.452 -4.311 175 HE3 TRP 22 HE3 TRP 22 9.082 3.726 0.939 176 HZ2 TRP 22 HZ2 TRP 22 9.955 6.683 -2.960 177 HZ3 TRP 22 HZ3 TRP 22 10.130 5.947 1.269 178 HH2 TRP 22 HH2 TRP 22 10.569 7.426 -0.672 179 H LEU 23 HN LEU 23 8.407 0.279 1.552 180 HA LEU 23 HA LEU 23 10.628 1.726 2.705 181 1HB LEU 23 HB2 LEU 23 8.334 0.037 3.583 182 2HB LEU 23 HB1 LEU 23 9.662 0.203 4.731 183 HG LEU 23 HG LEU 23 9.502 2.748 4.207 184 1HD1 LEU 23 HD11 LEU 23 7.999 2.608 2.297 185 2HD1 LEU 23 HD12 LEU 23 7.163 3.428 3.615 186 3HD1 LEU 23 HD13 LEU 23 6.803 1.739 3.258 187 1HD2 LEU 23 HD21 LEU 23 7.842 3.026 5.975 188 2HD2 LEU 23 HD22 LEU 23 8.861 1.638 6.356 189 3HD2 LEU 23 HD23 LEU 23 7.239 1.391 5.708 190 H LYS 24 HN LYS 24 10.018 -1.724 2.057 191 HA LYS 24 HA LYS 24 12.268 -2.801 3.485 192 1HB LYS 24 HB2 LYS 24 10.122 -3.674 1.853 193 2HB LYS 24 HB1 LYS 24 11.589 -4.264 1.074 194 1HG LYS 24 HG2 LYS 24 11.303 -4.573 4.045 195 2HG LYS 24 HG1 LYS 24 10.436 -5.684 2.983 196 1HD LYS 24 HD2 LYS 24 13.333 -5.156 2.430 197 2HD LYS 24 HD1 LYS 24 12.914 -6.221 3.772 198 1HE LYS 24 HE2 LYS 24 11.896 -7.808 2.368 199 2HE LYS 24 HE1 LYS 24 11.638 -6.630 1.066 200 1HZ LYS 24 HZ1 LYS 24 13.558 -8.144 0.679 201 2HZ LYS 24 HZ2 LYS 24 14.321 -7.466 2.037 202 3HZ LYS 24 HZ3 LYS 24 13.975 -6.501 0.681 203 H ALA 25 HN ALA 25 11.865 -1.771 0.083 204 HA ALA 25 HA ALA 25 14.522 -2.428 -0.804 205 1HB ALA 25 HB1 ALA 25 12.392 -1.906 -2.133 206 2HB ALA 25 HB2 ALA 25 13.876 -1.175 -2.744 207 3HB ALA 25 HB3 ALA 25 12.730 -0.205 -1.818 208 H LYS 26 HN LYS 26 13.134 0.466 0.729 209 HA LYS 26 HA LYS 26 15.411 2.200 0.334 210 1HB LYS 26 HB2 LYS 26 12.908 2.623 1.029 211 2HB LYS 26 HB1 LYS 26 13.510 2.359 2.668 212 1HG LYS 26 HG2 LYS 26 14.937 4.224 2.580 213 2HG LYS 26 HG1 LYS 26 14.925 4.268 0.816 214 1HD LYS 26 HD2 LYS 26 12.278 4.613 1.319 215 2HD LYS 26 HD1 LYS 26 12.969 5.382 2.747 216 1HE LYS 26 HE2 LYS 26 14.506 6.221 0.475 217 2HE LYS 26 HE1 LYS 26 12.788 6.461 0.106 218 1HZ LYS 26 HZ1 LYS 26 12.512 7.530 2.266 219 2HZ LYS 26 HZ2 LYS 26 13.673 8.350 1.335 220 3HZ LYS 26 HZ3 LYS 26 14.164 7.328 2.598 221 H LEU 27 HN LEU 27 14.572 -0.220 2.782 222 HA LEU 27 HA LEU 27 16.631 0.542 4.691 223 1HB LEU 27 HB2 LEU 27 14.418 -0.814 4.959 224 2HB LEU 27 HB1 LEU 27 15.366 -2.188 4.391 225 HG LEU 27 HG LEU 27 16.528 -0.509 6.576 226 1HD1 LEU 27 HD11 LEU 27 14.198 -0.824 7.301 227 2HD1 LEU 27 HD12 LEU 27 15.284 -1.821 8.270 228 3HD1 LEU 27 HD13 LEU 27 14.323 -2.556 6.986 229 1HD2 LEU 27 HD21 LEU 27 16.601 -3.360 5.623 230 2HD2 LEU 27 HD22 LEU 27 17.038 -2.997 7.293 231 3HD2 LEU 27 HD23 LEU 27 17.942 -2.266 5.966 232 H MET 28 HN MET 28 16.324 -2.331 2.553 233 HA MET 28 HA MET 28 17.945 -3.574 1.388 234 1HB MET 28 HB2 MET 28 18.572 -1.099 0.872 235 2HB MET 28 HB1 MET 28 19.900 -1.362 2.003 236 1HG MET 28 HG2 MET 28 20.668 -3.286 0.672 237 2HG MET 28 HG1 MET 28 19.330 -3.049 -0.453 238 1HE MET 28 HE1 MET 28 22.836 -2.048 -2.055 239 2HE MET 28 HE2 MET 28 21.335 -2.836 -2.534 240 3HE MET 28 HE3 MET 28 22.187 -3.383 -1.093 241 HA PRO 29 HA PRO 29 19.935 -5.623 4.773 242 1HB PRO 29 HB2 PRO 29 21.176 -7.595 3.334 243 2HB PRO 29 HB1 PRO 29 19.439 -7.601 3.690 244 1HG PRO 29 HG2 PRO 29 20.855 -6.844 1.190 245 2HG PRO 29 HG1 PRO 29 19.315 -7.688 1.405 246 1HD PRO 29 HD2 PRO 29 19.529 -5.041 0.743 247 2HD PRO 29 HD1 PRO 29 18.128 -5.746 1.579 248 H GLN 30 HN GLN 30 22.382 -6.740 4.883 249 HA GLN 30 HA GLN 30 24.263 -4.552 4.044 250 1HB GLN 30 HB2 GLN 30 24.094 -6.358 6.469 251 2HB GLN 30 HB1 GLN 30 25.531 -5.403 6.108 252 1HG GLN 30 HG2 GLN 30 22.859 -4.041 6.132 253 2HG GLN 30 HG1 GLN 30 23.639 -4.416 7.668 254 1HE2 GLN 30 HE21 GLN 30 24.054 -2.577 4.632 255 2HE2 GLN 30 HE22 GLN 30 25.258 -1.544 5.234 256 H LEU 31 HN LEU 31 26.668 -5.607 4.264 257 HA LEU 31 HA LEU 31 26.685 -7.882 2.341 258 1HB LEU 31 HB2 LEU 31 28.550 -5.688 3.204 259 2HB LEU 31 HB1 LEU 31 29.220 -7.123 2.428 260 HG LEU 31 HG LEU 31 26.839 -6.019 1.080 261 1HD1 LEU 31 HD11 LEU 31 29.436 -4.461 1.227 262 2HD1 LEU 31 HD12 LEU 31 27.840 -3.904 1.731 263 3HD1 LEU 31 HD13 LEU 31 28.180 -4.179 0.022 264 1HD2 LEU 31 HD21 LEU 31 29.631 -6.717 0.112 265 2HD2 LEU 31 HD22 LEU 31 28.201 -6.490 -0.895 266 3HD2 LEU 31 HD23 LEU 31 28.291 -7.860 0.212 Start of MODEL 32 1 1H SER 1 HT1 SER 1 -28.543 1.080 -5.445 2 2H SER 1 HT2 SER 1 -27.313 0.056 -4.871 3 3H SER 1 HT3 SER 1 -27.341 0.523 -6.504 4 HA SER 1 HA SER 1 -27.067 2.895 -5.722 5 1HB SER 1 HB2 SER 1 -26.114 2.941 -3.352 6 2HB SER 1 HB1 SER 1 -27.832 2.572 -3.466 7 HG SER 1 HG SER 1 -26.535 1.149 -2.089 8 H GLY 2 HN GLY 2 -24.789 3.703 -5.517 9 1HA GLY 2 HA2 GLY 2 -22.917 1.893 -6.840 10 2HA GLY 2 HA1 GLY 2 -22.592 3.565 -6.382 11 H SER 3 HN SER 3 -21.299 0.719 -5.875 12 HA SER 3 HA SER 3 -21.025 0.932 -2.905 13 1HB SER 3 HB2 SER 3 -19.961 -1.366 -3.279 14 2HB SER 3 HB1 SER 3 -21.671 -1.241 -3.680 15 HG SER 3 HG SER 3 -20.052 -2.220 -5.258 16 H TRP 4 HN TRP 4 -19.443 2.539 -2.615 17 HA TRP 4 HA TRP 4 -16.899 2.324 -4.161 18 1HB TRP 4 HB2 TRP 4 -18.559 4.426 -3.291 19 2HB TRP 4 HB1 TRP 4 -17.121 4.529 -2.275 20 HD1 TRP 4 HD1 TRP 4 -17.690 3.786 -6.047 21 HE1 TRP 4 HE1 TRP 4 -16.015 5.210 -7.396 22 HE3 TRP 4 HE3 TRP 4 -15.320 6.220 -2.233 23 HZ2 TRP 4 HZ2 TRP 4 -13.947 7.125 -6.922 24 HZ3 TRP 4 HZ3 TRP 4 -13.504 7.837 -2.709 25 HH2 TRP 4 HH2 TRP 4 -12.815 8.292 -5.047 26 H LEU 5 HN LEU 5 -17.936 0.732 -1.583 27 HA LEU 5 HA LEU 5 -16.103 1.388 0.547 28 1HB LEU 5 HB2 LEU 5 -17.824 -0.949 -0.262 29 2HB LEU 5 HB1 LEU 5 -16.691 -1.136 1.075 30 HG LEU 5 HG LEU 5 -18.526 1.246 1.001 31 1HD1 LEU 5 HD11 LEU 5 -20.161 -0.074 2.336 32 2HD1 LEU 5 HD12 LEU 5 -19.215 -1.529 2.018 33 3HD1 LEU 5 HD13 LEU 5 -20.003 -0.681 0.687 34 1HD2 LEU 5 HD21 LEU 5 -16.713 1.173 2.661 35 2HD2 LEU 5 HD22 LEU 5 -17.264 -0.410 3.213 36 3HD2 LEU 5 HD23 LEU 5 -18.275 1.013 3.462 37 H ARG 6 HN ARG 6 -16.025 -1.206 -1.942 38 HA ARG 6 HA ARG 6 -13.407 -2.191 -1.311 39 1HB ARG 6 HB2 ARG 6 -15.371 -3.077 -2.823 40 2HB ARG 6 HB1 ARG 6 -14.583 -2.135 -4.089 41 1HG ARG 6 HG2 ARG 6 -12.617 -3.672 -2.625 42 2HG ARG 6 HG1 ARG 6 -13.896 -4.731 -3.222 43 1HD ARG 6 HD2 ARG 6 -13.587 -3.397 -5.471 44 2HD ARG 6 HD1 ARG 6 -11.997 -2.998 -4.789 45 HE ARG 6 HE ARG 6 -12.083 -5.670 -4.331 46 1HH1 ARG 6 HH11 ARG 6 -14.201 -5.885 -6.483 47 2HH1 ARG 6 HH12 ARG 6 -13.240 -6.196 -7.889 48 1HH2 ARG 6 HH21 ARG 6 -10.266 -5.166 -6.407 49 2HH2 ARG 6 HH22 ARG 6 -11.003 -5.788 -7.846 50 H ASP 7 HN ASP 7 -14.558 0.412 -3.433 51 HA ASP 7 HA ASP 7 -12.161 1.047 -4.818 52 1HB ASP 7 HB2 ASP 7 -14.514 1.899 -5.185 53 2HB ASP 7 HB1 ASP 7 -14.296 2.939 -3.777 54 H ILE 8 HN ILE 8 -13.174 1.792 -1.507 55 HA ILE 8 HA ILE 8 -10.775 3.528 -1.112 56 HB ILE 8 HB ILE 8 -13.310 2.986 0.471 57 1HG1 ILE 8 HG12 ILE 8 -12.337 5.612 -0.666 58 2HG1 ILE 8 HG11 ILE 8 -13.255 4.477 -1.655 59 1HG2 ILE 8 HG21 ILE 8 -10.909 4.716 1.141 60 2HG2 ILE 8 HG22 ILE 8 -11.551 3.373 2.087 61 3HG2 ILE 8 HG23 ILE 8 -12.474 4.869 1.941 62 1HD1 ILE 8 HD11 ILE 8 -15.201 4.955 -0.598 63 2HD1 ILE 8 HD12 ILE 8 -14.362 6.385 0.005 64 3HD1 ILE 8 HD13 ILE 8 -14.441 4.926 0.993 65 H TRP 9 HN TRP 9 -12.464 0.794 0.511 66 HA TRP 9 HA TRP 9 -10.413 0.214 2.412 67 1HB TRP 9 HB2 TRP 9 -12.771 -0.562 2.487 68 2HB TRP 9 HB1 TRP 9 -12.458 -1.611 1.104 69 HD1 TRP 9 HD1 TRP 9 -12.085 -4.005 1.838 70 HE1 TRP 9 HE1 TRP 9 -10.956 -5.180 3.835 71 HE3 TRP 9 HE3 TRP 9 -10.597 0.069 4.538 72 HZ2 TRP 9 HZ2 TRP 9 -9.602 -4.486 6.256 73 HZ3 TRP 9 HZ3 TRP 9 -9.392 -0.218 6.683 74 HH2 TRP 9 HH2 TRP 9 -8.893 -2.489 7.546 75 H ASP 10 HN ASP 10 -11.103 -1.423 -0.726 76 HA ASP 10 HA ASP 10 -8.863 -3.191 -0.666 77 1HB ASP 10 HB2 ASP 10 -10.999 -2.918 -2.230 78 2HB ASP 10 HB1 ASP 10 -9.870 -2.006 -3.232 79 H TRP 11 HN TRP 11 -9.168 0.159 -1.854 80 HA TRP 11 HA TRP 11 -6.583 0.354 -3.091 81 1HB TRP 11 HB2 TRP 11 -8.439 1.928 -3.459 82 2HB TRP 11 HB1 TRP 11 -8.380 2.419 -1.767 83 HD1 TRP 11 HD1 TRP 11 -6.211 2.497 -4.952 84 HE1 TRP 11 HE1 TRP 11 -4.589 4.493 -4.776 85 HE3 TRP 11 HE3 TRP 11 -7.290 4.098 -0.226 86 HZ2 TRP 11 HZ2 TRP 11 -3.850 6.505 -2.882 87 HZ3 TRP 11 HZ3 TRP 11 -6.115 6.055 0.738 88 HH2 TRP 11 HH2 TRP 11 -4.397 7.259 -0.583 89 H ILE 12 HN ILE 12 -7.687 1.145 0.233 90 HA ILE 12 HA ILE 12 -5.160 2.093 1.210 91 HB ILE 12 HB ILE 12 -7.612 0.829 2.476 92 1HG1 ILE 12 HG12 ILE 12 -6.548 3.662 2.663 93 2HG1 ILE 12 HG11 ILE 12 -7.670 3.148 1.405 94 1HG2 ILE 12 HG21 ILE 12 -5.980 0.320 4.095 95 2HG2 ILE 12 HG22 ILE 12 -6.571 1.896 4.620 96 3HG2 ILE 12 HG23 ILE 12 -5.045 1.774 3.746 97 1HD1 ILE 12 HD11 ILE 12 -9.035 4.049 3.140 98 2HD1 ILE 12 HD12 ILE 12 -8.131 3.198 4.393 99 3HD1 ILE 12 HD13 ILE 12 -9.176 2.298 3.292 100 H CYS 13 HN CYS 13 -6.564 -1.156 0.917 101 HA CYS 13 HA CYS 13 -4.541 -2.568 2.422 102 1HB CYS 13 HB2 CYS 13 -6.939 -3.226 1.598 103 2HB CYS 13 HB1 CYS 13 -6.118 -3.695 0.108 104 HG CYS 13 HG CYS 13 -4.947 -5.582 1.312 105 H GLU 14 HN GLU 14 -4.907 -1.732 -1.038 106 HA GLU 14 HA GLU 14 -2.544 -3.185 -1.907 107 1HB GLU 14 HB2 GLU 14 -4.738 -1.753 -3.010 108 2HB GLU 14 HB1 GLU 14 -3.274 -0.975 -3.612 109 1HG GLU 14 HG2 GLU 14 -3.183 -3.926 -3.638 110 2HG GLU 14 HG1 GLU 14 -4.390 -3.223 -4.715 111 H VAL 15 HN VAL 15 -3.233 0.215 -1.127 112 HA VAL 15 HA VAL 15 -0.636 1.279 -1.733 113 HB VAL 15 HB VAL 15 -2.871 2.095 0.155 114 1HG1 VAL 15 HG11 VAL 15 -0.905 3.163 1.020 115 2HG1 VAL 15 HG12 VAL 15 -1.738 4.374 0.046 116 3HG1 VAL 15 HG13 VAL 15 -0.321 3.546 -0.600 117 1HG2 VAL 15 HG21 VAL 15 -3.675 3.383 -1.598 118 2HG2 VAL 15 HG22 VAL 15 -2.979 2.040 -2.504 119 3HG2 VAL 15 HG23 VAL 15 -2.085 3.552 -2.343 120 H LEU 16 HN LEU 16 -2.066 0.169 1.371 121 HA LEU 16 HA LEU 16 0.256 0.603 2.992 122 1HB LEU 16 HB2 LEU 16 -2.172 0.158 3.656 123 2HB LEU 16 HB1 LEU 16 -1.856 -1.546 3.332 124 HG LEU 16 HG LEU 16 0.266 -0.480 4.966 125 1HD1 LEU 16 HD11 LEU 16 -0.933 0.208 6.927 126 2HD1 LEU 16 HD12 LEU 16 -2.484 -0.236 6.212 127 3HD1 LEU 16 HD13 LEU 16 -1.589 1.150 5.586 128 1HD2 LEU 16 HD21 LEU 16 -1.934 -2.524 5.405 129 2HD2 LEU 16 HD22 LEU 16 -0.575 -2.288 6.505 130 3HD2 LEU 16 HD23 LEU 16 -0.288 -2.840 4.855 131 H SER 17 HN SER 17 -0.885 -2.334 1.264 132 HA SER 17 HA SER 17 1.240 -4.074 2.086 133 1HB SER 17 HB2 SER 17 -0.993 -4.592 0.932 134 2HB SER 17 HB1 SER 17 -0.220 -4.098 -0.572 135 HG SER 17 HG SER 17 0.220 -6.210 -0.488 136 H ASP 18 HN ASP 18 0.907 -1.869 -0.703 137 HA ASP 18 HA ASP 18 3.424 -2.554 -1.949 138 1HB ASP 18 HB2 ASP 18 1.549 -1.461 -3.110 139 2HB ASP 18 HB1 ASP 18 1.676 -0.068 -2.036 140 H PHE 19 HN PHE 19 2.424 0.014 0.329 141 HA PHE 19 HA PHE 19 4.750 1.565 0.490 142 1HB PHE 19 HB2 PHE 19 2.353 1.255 1.862 143 2HB PHE 19 HB1 PHE 19 3.561 0.908 3.094 144 HD1 PHE 19 HD1 PHE 19 1.808 3.483 1.397 145 HD2 PHE 19 HD2 PHE 19 5.601 2.572 3.195 146 HE1 PHE 19 HE1 PHE 19 2.285 5.907 1.620 147 HE2 PHE 19 HE2 PHE 19 6.078 4.995 3.418 148 HZ PHE 19 HZ PHE 19 4.420 6.663 2.630 149 H LYS 20 HN LYS 20 4.045 -1.474 2.236 150 HA LYS 20 HA LYS 20 6.493 -1.602 3.732 151 1HB LYS 20 HB2 LYS 20 4.110 -3.048 3.433 152 2HB LYS 20 HB1 LYS 20 5.371 -4.182 2.949 153 1HG LYS 20 HG2 LYS 20 5.738 -2.545 5.442 154 2HG LYS 20 HG1 LYS 20 4.711 -3.978 5.488 155 1HD LYS 20 HD2 LYS 20 6.486 -5.426 4.947 156 2HD LYS 20 HD1 LYS 20 7.473 -4.118 4.290 157 1HE LYS 20 HE2 LYS 20 8.494 -4.461 6.376 158 2HE LYS 20 HE1 LYS 20 7.328 -3.186 6.776 159 1HZ LYS 20 HZ1 LYS 20 5.705 -4.996 7.269 160 2HZ LYS 20 HZ2 LYS 20 7.024 -4.945 8.337 161 3HZ LYS 20 HZ3 LYS 20 6.968 -6.118 7.112 162 H THR 21 HN THR 21 5.624 -2.803 0.478 163 HA THR 21 HA THR 21 8.233 -4.114 0.110 164 HB THR 21 HB THR 21 6.085 -3.469 -1.933 165 HG1 THR 21 HG1 THR 21 4.876 -4.750 -0.812 166 1HG2 THR 21 HG21 THR 21 8.051 -5.768 -1.740 167 2HG2 THR 21 HG22 THR 21 8.285 -4.339 -2.748 168 3HG2 THR 21 HG23 THR 21 6.946 -5.438 -3.074 169 H TRP 22 HN TRP 22 6.677 -1.065 -0.839 170 HA TRP 22 HA TRP 22 8.506 -0.140 -2.805 171 1HB TRP 22 HB2 TRP 22 6.268 0.808 -1.843 172 2HB TRP 22 HB1 TRP 22 7.297 1.610 -0.661 173 HD1 TRP 22 HD1 TRP 22 6.290 1.695 -4.303 174 HE1 TRP 22 HE1 TRP 22 7.347 3.759 -5.430 175 HE3 TRP 22 HE3 TRP 22 9.428 3.227 -0.576 176 HZ2 TRP 22 HZ2 TRP 22 9.268 5.792 -4.829 177 HZ3 TRP 22 HZ3 TRP 22 10.858 5.227 -0.879 178 HH2 TRP 22 HH2 TRP 22 10.782 6.512 -2.999 179 H LEU 23 HN LEU 23 8.554 0.348 0.735 180 HA LEU 23 HA LEU 23 11.050 1.761 0.852 181 1HB LEU 23 HB2 LEU 23 9.128 0.445 2.654 182 2HB LEU 23 HB1 LEU 23 10.784 0.422 3.260 183 HG LEU 23 HG LEU 23 10.706 2.972 2.447 184 1HD1 LEU 23 HD11 LEU 23 7.838 2.329 3.197 185 2HD1 LEU 23 HD12 LEU 23 8.395 2.788 1.588 186 3HD1 LEU 23 HD13 LEU 23 8.492 3.943 2.917 187 1HD2 LEU 23 HD21 LEU 23 10.384 3.577 4.731 188 2HD2 LEU 23 HD22 LEU 23 11.084 1.959 4.775 189 3HD2 LEU 23 HD23 LEU 23 9.353 2.178 5.034 190 H LYS 24 HN LYS 24 10.271 -1.715 0.917 191 HA LYS 24 HA LYS 24 12.969 -2.595 1.561 192 1HB LYS 24 HB2 LYS 24 10.367 -3.777 0.661 193 2HB LYS 24 HB1 LYS 24 11.821 -4.761 0.496 194 1HG LYS 24 HG2 LYS 24 12.244 -3.966 2.993 195 2HG LYS 24 HG1 LYS 24 10.493 -3.745 2.981 196 1HD LYS 24 HD2 LYS 24 10.841 -6.222 1.762 197 2HD LYS 24 HD1 LYS 24 12.051 -6.221 3.046 198 1HE LYS 24 HE2 LYS 24 10.345 -5.692 4.718 199 2HE LYS 24 HE1 LYS 24 9.111 -5.552 3.451 200 1HZ LYS 24 HZ1 LYS 24 10.764 -7.987 3.862 201 2HZ LYS 24 HZ2 LYS 24 9.405 -7.819 2.854 202 3HZ LYS 24 HZ3 LYS 24 9.224 -7.787 4.544 203 H ALA 25 HN ALA 25 11.186 -1.980 -1.447 204 HA ALA 25 HA ALA 25 13.307 -3.147 -3.131 205 1HB ALA 25 HB1 ALA 25 11.757 -2.721 -4.895 206 2HB ALA 25 HB2 ALA 25 10.935 -1.466 -3.967 207 3HB ALA 25 HB3 ALA 25 10.762 -3.160 -3.506 208 H LYS 26 HN LYS 26 12.180 0.101 -2.184 209 HA LYS 26 HA LYS 26 14.053 1.433 -4.030 210 1HB LYS 26 HB2 LYS 26 11.697 2.179 -3.367 211 2HB LYS 26 HB1 LYS 26 12.381 2.619 -1.802 212 1HG LYS 26 HG2 LYS 26 12.720 4.630 -2.841 213 2HG LYS 26 HG1 LYS 26 14.175 3.822 -3.425 214 1HD LYS 26 HD2 LYS 26 12.361 2.979 -5.277 215 2HD LYS 26 HD1 LYS 26 11.715 4.574 -4.895 216 1HE LYS 26 HE2 LYS 26 14.667 4.251 -5.432 217 2HE LYS 26 HE1 LYS 26 13.523 4.389 -6.782 218 1HZ LYS 26 HZ1 LYS 26 12.626 6.396 -5.796 219 2HZ LYS 26 HZ2 LYS 26 14.300 6.574 -6.034 220 3HZ LYS 26 HZ3 LYS 26 13.689 6.265 -4.479 221 H LEU 27 HN LEU 27 13.651 1.243 -0.455 222 HA LEU 27 HA LEU 27 16.399 2.351 -0.122 223 1HB LEU 27 HB2 LEU 27 14.297 3.186 1.078 224 2HB LEU 27 HB1 LEU 27 14.329 1.673 1.983 225 HG LEU 27 HG LEU 27 16.952 2.582 2.158 226 1HD1 LEU 27 HD11 LEU 27 15.015 4.903 2.415 227 2HD1 LEU 27 HD12 LEU 27 16.340 4.766 1.259 228 3HD1 LEU 27 HD13 LEU 27 16.685 4.927 2.981 229 1HD2 LEU 27 HD21 LEU 27 15.477 1.551 3.920 230 2HD2 LEU 27 HD22 LEU 27 14.709 3.124 4.128 231 3HD2 LEU 27 HD23 LEU 27 16.420 2.922 4.502 232 H MET 28 HN MET 28 14.455 -0.525 0.708 233 HA MET 28 HA MET 28 15.093 -2.682 1.398 234 1HB MET 28 HB2 MET 28 16.496 -2.093 -0.760 235 2HB MET 28 HB1 MET 28 17.850 -2.067 0.370 236 1HG MET 28 HG2 MET 28 16.824 -4.366 1.173 237 2HG MET 28 HG1 MET 28 16.096 -4.365 -0.432 238 1HE MET 28 HE1 MET 28 17.011 -6.038 -1.682 239 2HE MET 28 HE2 MET 28 17.748 -6.790 -0.269 240 3HE MET 28 HE3 MET 28 18.690 -6.592 -1.744 241 HA PRO 29 HA PRO 29 17.443 -0.853 4.995 242 1HB PRO 29 HB2 PRO 29 15.420 -0.937 6.836 243 2HB PRO 29 HB1 PRO 29 15.695 0.449 5.765 244 1HG PRO 29 HG2 PRO 29 13.653 -1.687 5.607 245 2HG PRO 29 HG1 PRO 29 13.553 0.011 5.123 246 1HD PRO 29 HD2 PRO 29 13.917 -2.136 3.401 247 2HD PRO 29 HD1 PRO 29 14.264 -0.437 3.022 248 H GLN 30 HN GLN 30 16.892 -1.977 7.499 249 HA GLN 30 HA GLN 30 17.140 -3.923 8.795 250 1HB GLN 30 HB2 GLN 30 15.877 -5.156 6.323 251 2HB GLN 30 HB1 GLN 30 16.042 -5.962 7.878 252 1HG GLN 30 HG2 GLN 30 14.830 -3.327 8.168 253 2HG GLN 30 HG1 GLN 30 13.903 -4.352 7.074 254 1HE2 GLN 30 HE21 GLN 30 12.291 -5.426 8.234 255 2HE2 GLN 30 HE22 GLN 30 12.481 -6.075 9.791 256 H LEU 31 HN LEU 31 19.282 -4.374 9.066 257 HA LEU 31 HA LEU 31 21.400 -5.347 8.728 258 1HB LEU 31 HB2 LEU 31 19.457 -7.132 7.957 259 2HB LEU 31 HB1 LEU 31 20.449 -7.045 6.501 260 HG LEU 31 HG LEU 31 22.452 -7.297 8.181 261 1HD1 LEU 31 HD11 LEU 31 21.113 -7.078 10.225 262 2HD1 LEU 31 HD12 LEU 31 21.827 -8.688 10.145 263 3HD1 LEU 31 HD13 LEU 31 20.125 -8.459 9.746 264 1HD2 LEU 31 HD21 LEU 31 21.919 -8.966 6.493 265 2HD2 LEU 31 HD22 LEU 31 20.558 -9.552 7.450 266 3HD2 LEU 31 HD23 LEU 31 22.209 -9.792 8.024 Start of MODEL 33 1 1H SER 1 HT1 SER 1 -22.572 1.049 -1.995 2 2H SER 1 HT2 SER 1 -24.142 0.988 -2.641 3 3H SER 1 HT3 SER 1 -23.914 1.258 -0.978 4 HA SER 1 HA SER 1 -23.015 3.120 -3.122 5 1HB SER 1 HB2 SER 1 -25.425 3.142 -1.272 6 2HB SER 1 HB1 SER 1 -24.998 4.426 -2.400 7 HG SER 1 HG SER 1 -26.461 3.109 -3.422 8 H GLY 2 HN GLY 2 -20.968 3.182 -1.843 9 1HA GLY 2 HA2 GLY 2 -21.275 4.897 0.587 10 2HA GLY 2 HA1 GLY 2 -20.158 3.533 0.597 11 H SER 3 HN SER 3 -20.833 5.941 -1.954 12 HA SER 3 HA SER 3 -19.339 7.228 -3.252 13 1HB SER 3 HB2 SER 3 -18.365 8.882 -1.900 14 2HB SER 3 HB1 SER 3 -19.609 8.229 -0.842 15 HG SER 3 HG SER 3 -18.057 7.054 0.227 16 H TRP 4 HN TRP 4 -16.497 7.739 -2.465 17 HA TRP 4 HA TRP 4 -15.315 5.370 -3.738 18 1HB TRP 4 HB2 TRP 4 -14.808 8.092 -3.656 19 2HB TRP 4 HB1 TRP 4 -13.531 7.433 -2.633 20 HD1 TRP 4 HD1 TRP 4 -14.832 7.413 -6.208 21 HE1 TRP 4 HE1 TRP 4 -13.050 6.357 -7.742 22 HE3 TRP 4 HE3 TRP 4 -11.527 5.731 -2.699 23 HZ2 TRP 4 HZ2 TRP 4 -10.555 4.982 -7.513 24 HZ3 TRP 4 HZ3 TRP 4 -9.458 4.551 -3.385 25 HH2 TRP 4 HH2 TRP 4 -8.969 4.176 -5.785 26 H LEU 5 HN LEU 5 -16.074 6.167 -0.521 27 HA LEU 5 HA LEU 5 -13.791 5.285 0.948 28 1HB LEU 5 HB2 LEU 5 -16.643 5.823 1.351 29 2HB LEU 5 HB1 LEU 5 -16.065 4.518 2.384 30 HG LEU 5 HG LEU 5 -14.115 6.043 3.004 31 1HD1 LEU 5 HD11 LEU 5 -15.938 8.153 1.808 32 2HD1 LEU 5 HD12 LEU 5 -14.449 7.587 1.053 33 3HD1 LEU 5 HD13 LEU 5 -14.388 8.426 2.602 34 1HD2 LEU 5 HD21 LEU 5 -15.864 5.723 4.612 35 2HD2 LEU 5 HD22 LEU 5 -16.982 6.734 3.697 36 3HD2 LEU 5 HD23 LEU 5 -15.603 7.465 4.519 37 H ARG 6 HN ARG 6 -16.457 3.482 -0.564 38 HA ARG 6 HA ARG 6 -15.775 0.895 0.546 39 1HB ARG 6 HB2 ARG 6 -17.781 2.072 -1.032 40 2HB ARG 6 HB1 ARG 6 -17.024 0.887 -2.097 41 1HG ARG 6 HG2 ARG 6 -17.744 0.129 0.724 42 2HG ARG 6 HG1 ARG 6 -18.980 0.122 -0.535 43 1HD ARG 6 HD2 ARG 6 -18.153 -1.780 -1.470 44 2HD ARG 6 HD1 ARG 6 -16.481 -1.189 -1.377 45 HE ARG 6 HE ARG 6 -17.807 -2.043 1.148 46 1HH1 ARG 6 HH11 ARG 6 -14.821 -1.441 0.635 47 2HH1 ARG 6 HH12 ARG 6 -14.170 -3.045 0.656 48 1HH2 ARG 6 HH21 ARG 6 -17.269 -4.589 0.323 49 2HH2 ARG 6 HH22 ARG 6 -15.561 -4.836 0.480 50 H ASP 7 HN ASP 7 -14.751 2.759 -2.270 51 HA ASP 7 HA ASP 7 -13.246 0.565 -3.500 52 1HB ASP 7 HB2 ASP 7 -14.465 2.696 -4.485 53 2HB ASP 7 HB1 ASP 7 -12.926 3.484 -4.136 54 H ILE 8 HN ILE 8 -12.505 3.448 -1.518 55 HA ILE 8 HA ILE 8 -9.646 3.300 -1.778 56 HB ILE 8 HB ILE 8 -11.204 5.196 -0.928 57 1HG1 ILE 8 HG12 ILE 8 -9.365 5.962 0.707 58 2HG1 ILE 8 HG11 ILE 8 -8.570 4.430 0.346 59 1HG2 ILE 8 HG21 ILE 8 -10.617 4.152 1.809 60 2HG2 ILE 8 HG22 ILE 8 -11.995 3.474 0.950 61 3HG2 ILE 8 HG23 ILE 8 -11.922 5.205 1.265 62 1HD1 ILE 8 HD11 ILE 8 -9.476 6.270 -1.865 63 2HD1 ILE 8 HD12 ILE 8 -8.269 4.985 -1.929 64 3HD1 ILE 8 HD13 ILE 8 -7.913 6.488 -1.079 65 H TRP 9 HN TRP 9 -11.916 1.580 0.330 66 HA TRP 9 HA TRP 9 -10.026 0.695 2.300 67 1HB TRP 9 HB2 TRP 9 -12.483 0.600 2.539 68 2HB TRP 9 HB1 TRP 9 -12.569 -0.580 1.233 69 HD1 TRP 9 HD1 TRP 9 -13.479 -2.550 2.690 70 HE1 TRP 9 HE1 TRP 9 -12.431 -4.025 4.524 71 HE3 TRP 9 HE3 TRP 9 -9.260 0.157 3.721 72 HZ2 TRP 9 HZ2 TRP 9 -10.121 -4.058 6.202 73 HZ3 TRP 9 HZ3 TRP 9 -7.661 -0.623 5.439 74 HH2 TRP 9 HH2 TRP 9 -8.084 -2.725 6.681 75 H ASP 10 HN ASP 10 -11.308 -1.002 -0.599 76 HA ASP 10 HA ASP 10 -9.522 -3.249 -0.434 77 1HB ASP 10 HB2 ASP 10 -11.662 -3.090 -1.730 78 2HB ASP 10 HB1 ASP 10 -10.867 -1.982 -2.848 79 H TRP 11 HN TRP 11 -9.292 -0.101 -2.106 80 HA TRP 11 HA TRP 11 -6.856 -0.632 -3.539 81 1HB TRP 11 HB2 TRP 11 -8.433 1.202 -4.036 82 2HB TRP 11 HB1 TRP 11 -8.070 1.945 -2.477 83 HD1 TRP 11 HD1 TRP 11 -6.360 1.052 -5.810 84 HE1 TRP 11 HE1 TRP 11 -4.355 2.636 -6.143 85 HE3 TRP 11 HE3 TRP 11 -6.460 3.545 -1.356 86 HZ2 TRP 11 HZ2 TRP 11 -2.977 4.697 -4.710 87 HZ3 TRP 11 HZ3 TRP 11 -4.793 5.312 -0.867 88 HH2 TRP 11 HH2 TRP 11 -3.053 5.889 -2.535 89 H ILE 12 HN ILE 12 -7.472 0.830 -0.323 90 HA ILE 12 HA ILE 12 -4.759 1.473 0.317 91 HB ILE 12 HB ILE 12 -7.311 0.916 1.817 92 1HG1 ILE 12 HG12 ILE 12 -5.428 3.292 1.858 93 2HG1 ILE 12 HG11 ILE 12 -6.743 3.121 0.696 94 1HG2 ILE 12 HG21 ILE 12 -6.038 1.550 3.935 95 2HG2 ILE 12 HG22 ILE 12 -4.554 1.210 3.044 96 3HG2 ILE 12 HG23 ILE 12 -5.729 -0.076 3.327 97 1HD1 ILE 12 HD11 ILE 12 -8.330 2.881 2.637 98 2HD1 ILE 12 HD12 ILE 12 -7.553 4.461 2.544 99 3HD1 ILE 12 HD13 ILE 12 -6.989 3.269 3.714 100 H CYS 13 HN CYS 13 -6.640 -1.534 0.683 101 HA CYS 13 HA CYS 13 -4.661 -3.021 2.159 102 1HB CYS 13 HB2 CYS 13 -7.191 -3.442 1.672 103 2HB CYS 13 HB1 CYS 13 -6.623 -4.181 0.174 104 HG CYS 13 HG CYS 13 -6.178 -5.317 3.018 105 H GLU 14 HN GLU 14 -5.208 -2.448 -1.306 106 HA GLU 14 HA GLU 14 -3.264 -4.374 -2.266 107 1HB GLU 14 HB2 GLU 14 -5.251 -2.649 -3.276 108 2HB GLU 14 HB1 GLU 14 -3.744 -2.085 -3.995 109 1HG GLU 14 HG2 GLU 14 -4.438 -5.020 -3.963 110 2HG GLU 14 HG1 GLU 14 -5.054 -3.956 -5.227 111 H VAL 15 HN VAL 15 -3.210 -0.857 -1.734 112 HA VAL 15 HA VAL 15 -0.454 -0.478 -2.550 113 HB VAL 15 HB VAL 15 -2.289 1.186 -0.786 114 1HG1 VAL 15 HG11 VAL 15 -0.790 3.024 -1.941 115 2HG1 VAL 15 HG12 VAL 15 0.355 1.694 -2.121 116 3HG1 VAL 15 HG13 VAL 15 -0.194 2.175 -0.514 117 1HG2 VAL 15 HG21 VAL 15 -1.973 2.168 -3.473 118 2HG2 VAL 15 HG22 VAL 15 -3.454 1.669 -2.655 119 3HG2 VAL 15 HG23 VAL 15 -2.493 0.484 -3.539 120 H LEU 16 HN LEU 16 -2.025 -1.260 0.533 121 HA LEU 16 HA LEU 16 0.030 -0.613 2.372 122 1HB LEU 16 HB2 LEU 16 -2.296 -1.393 2.870 123 2HB LEU 16 HB1 LEU 16 -1.831 -3.016 2.361 124 HG LEU 16 HG LEU 16 0.072 -1.957 4.284 125 1HD1 LEU 16 HD11 LEU 16 -2.822 -2.159 5.172 126 2HD1 LEU 16 HD12 LEU 16 -1.878 -0.672 5.088 127 3HD1 LEU 16 HD13 LEU 16 -1.434 -1.934 6.236 128 1HD2 LEU 16 HD21 LEU 16 -1.836 -4.318 4.258 129 2HD2 LEU 16 HD22 LEU 16 -0.555 -4.084 5.448 130 3HD2 LEU 16 HD23 LEU 16 -0.147 -4.327 3.749 131 H SER 17 HN SER 17 -0.436 -3.640 0.503 132 HA SER 17 HA SER 17 1.842 -5.040 1.533 133 1HB SER 17 HB2 SER 17 -0.066 -5.214 -0.716 134 2HB SER 17 HB1 SER 17 1.496 -5.965 -1.034 135 HG SER 17 HG SER 17 -0.301 -7.188 0.122 136 H ASP 18 HN ASP 18 1.459 -2.899 -1.310 137 HA ASP 18 HA ASP 18 4.177 -3.163 -2.248 138 1HB ASP 18 HB2 ASP 18 2.466 -2.343 -3.725 139 2HB ASP 18 HB1 ASP 18 1.989 -1.088 -2.579 140 H PHE 19 HN PHE 19 2.551 -0.762 -0.144 141 HA PHE 19 HA PHE 19 4.600 1.086 0.298 142 1HB PHE 19 HB2 PHE 19 2.131 0.417 1.386 143 2HB PHE 19 HB1 PHE 19 3.231 0.228 2.748 144 HD1 PHE 19 HD1 PHE 19 4.345 2.116 3.742 145 HD2 PHE 19 HD2 PHE 19 1.978 2.598 0.190 146 HE1 PHE 19 HE1 PHE 19 4.447 4.579 4.009 147 HE2 PHE 19 HE2 PHE 19 2.082 5.061 0.455 148 HZ PHE 19 HZ PHE 19 3.316 6.052 2.365 149 H LYS 20 HN LYS 20 4.172 -2.090 1.871 150 HA LYS 20 HA LYS 20 6.348 -1.933 3.716 151 1HB LYS 20 HB2 LYS 20 4.465 -3.599 3.636 152 2HB LYS 20 HB1 LYS 20 5.247 -4.349 2.243 153 1HG LYS 20 HG2 LYS 20 7.348 -4.461 3.799 154 2HG LYS 20 HG1 LYS 20 6.179 -4.252 5.103 155 1HD LYS 20 HD2 LYS 20 5.865 -6.368 2.962 156 2HD LYS 20 HD1 LYS 20 6.720 -6.669 4.476 157 1HE LYS 20 HE2 LYS 20 3.960 -5.472 4.587 158 2HE LYS 20 HE1 LYS 20 4.142 -7.217 4.322 159 1HZ LYS 20 HZ1 LYS 20 5.515 -5.707 6.485 160 2HZ LYS 20 HZ2 LYS 20 5.512 -7.391 6.260 161 3HZ LYS 20 HZ3 LYS 20 4.083 -6.588 6.707 162 H THR 21 HN THR 21 6.235 -3.132 0.335 163 HA THR 21 HA THR 21 9.117 -3.748 0.342 164 HB THR 21 HB THR 21 7.397 -3.614 -2.121 165 HG1 THR 21 HG1 THR 21 5.994 -4.879 -1.238 166 1HG2 THR 21 HG21 THR 21 9.834 -4.370 -2.047 167 2HG2 THR 21 HG22 THR 21 8.699 -5.496 -2.792 168 3HG2 THR 21 HG23 THR 21 9.269 -5.778 -1.147 169 H TRP 22 HN TRP 22 6.964 -1.281 -1.081 170 HA TRP 22 HA TRP 22 8.822 0.101 -2.717 171 1HB TRP 22 HB2 TRP 22 6.219 0.331 -2.148 172 2HB TRP 22 HB1 TRP 22 6.811 1.592 -1.070 173 HD1 TRP 22 HD1 TRP 22 6.428 0.721 -4.747 174 HE1 TRP 22 HE1 TRP 22 6.944 2.813 -6.164 175 HE3 TRP 22 HE3 TRP 22 8.205 3.836 -1.110 176 HZ2 TRP 22 HZ2 TRP 22 7.973 5.457 -5.802 177 HZ3 TRP 22 HZ3 TRP 22 8.945 6.134 -1.673 178 HH2 TRP 22 HH2 TRP 22 8.831 6.947 -4.012 179 H LEU 23 HN LEU 23 8.071 0.545 0.745 180 HA LEU 23 HA LEU 23 9.886 2.737 1.192 181 1HB LEU 23 HB2 LEU 23 8.269 0.800 2.763 182 2HB LEU 23 HB1 LEU 23 9.619 1.535 3.621 183 HG LEU 23 HG LEU 23 7.555 2.867 3.894 184 1HD1 LEU 23 HD11 LEU 23 9.320 4.462 2.058 185 2HD1 LEU 23 HD12 LEU 23 9.963 3.859 3.585 186 3HD1 LEU 23 HD13 LEU 23 8.574 4.945 3.581 187 1HD2 LEU 23 HD21 LEU 23 6.619 4.048 1.916 188 2HD2 LEU 23 HD22 LEU 23 6.459 2.299 1.771 189 3HD2 LEU 23 HD23 LEU 23 7.718 3.146 0.874 190 H LYS 24 HN LYS 24 10.280 -0.809 1.448 191 HA LYS 24 HA LYS 24 12.991 -0.628 2.537 192 1HB LYS 24 HB2 LYS 24 11.074 -2.502 2.575 193 2HB LYS 24 HB1 LYS 24 11.939 -3.058 1.141 194 1HG LYS 24 HG2 LYS 24 13.640 -2.341 3.464 195 2HG LYS 24 HG1 LYS 24 12.629 -3.772 3.672 196 1HD LYS 24 HD2 LYS 24 13.537 -4.745 1.614 197 2HD LYS 24 HD1 LYS 24 14.502 -3.296 1.333 198 1HE LYS 24 HE2 LYS 24 16.031 -3.826 2.986 199 2HE LYS 24 HE1 LYS 24 14.822 -4.664 3.977 200 1HZ LYS 24 HZ1 LYS 24 14.786 -6.482 2.463 201 2HZ LYS 24 HZ2 LYS 24 16.418 -6.171 2.815 202 3HZ LYS 24 HZ3 LYS 24 15.754 -5.659 1.338 203 H ALA 25 HN ALA 25 11.543 -1.092 -0.679 204 HA ALA 25 HA ALA 25 14.024 -1.689 -2.054 205 1HB ALA 25 HB1 ALA 25 11.823 -2.325 -2.903 206 2HB ALA 25 HB2 ALA 25 12.583 -1.224 -4.054 207 3HB ALA 25 HB3 ALA 25 11.327 -0.634 -2.964 208 H LYS 26 HN LYS 26 12.491 1.294 -1.018 209 HA LYS 26 HA LYS 26 13.659 3.120 -2.892 210 1HB LYS 26 HB2 LYS 26 11.782 3.602 -1.349 211 2HB LYS 26 HB1 LYS 26 12.881 3.471 0.024 212 1HG LYS 26 HG2 LYS 26 13.775 5.529 -0.336 213 2HG LYS 26 HG1 LYS 26 13.797 5.316 -2.087 214 1HD LYS 26 HD2 LYS 26 11.219 5.568 -1.941 215 2HD LYS 26 HD1 LYS 26 11.520 6.235 -0.337 216 1HE LYS 26 HE2 LYS 26 11.625 8.190 -1.597 217 2HE LYS 26 HE1 LYS 26 13.324 7.688 -1.703 218 1HZ LYS 26 HZ1 LYS 26 12.823 6.486 -3.733 219 2HZ LYS 26 HZ2 LYS 26 12.381 8.117 -3.906 220 3HZ LYS 26 HZ3 LYS 26 11.190 6.937 -3.636 221 H LEU 27 HN LEU 27 14.839 1.882 0.254 222 HA LEU 27 HA LEU 27 17.548 2.958 -0.455 223 1HB LEU 27 HB2 LEU 27 17.786 3.404 2.018 224 2HB LEU 27 HB1 LEU 27 16.555 4.386 1.229 225 HG LEU 27 HG LEU 27 15.364 1.918 2.131 226 1HD1 LEU 27 HD11 LEU 27 16.965 3.484 4.170 227 2HD1 LEU 27 HD12 LEU 27 17.077 1.760 3.814 228 3HD1 LEU 27 HD13 LEU 27 15.637 2.406 4.604 229 1HD2 LEU 27 HD21 LEU 27 15.003 4.736 3.188 230 2HD2 LEU 27 HD22 LEU 27 13.816 3.431 3.190 231 3HD2 LEU 27 HD23 LEU 27 14.302 4.178 1.669 232 H MET 28 HN MET 28 19.011 1.316 -0.580 233 HA MET 28 HA MET 28 19.037 -0.859 1.394 234 1HB MET 28 HB2 MET 28 17.670 -1.088 -1.155 235 2HB MET 28 HB1 MET 28 18.985 -2.259 -1.055 236 1HG MET 28 HG2 MET 28 18.022 -2.681 1.365 237 2HG MET 28 HG1 MET 28 16.550 -1.994 0.676 238 1HE MET 28 HE1 MET 28 15.787 -4.057 -2.353 239 2HE MET 28 HE2 MET 28 15.922 -2.449 -1.644 240 3HE MET 28 HE3 MET 28 14.834 -3.632 -0.924 241 HA PRO 29 HA PRO 29 22.813 -1.458 -1.464 242 1HB PRO 29 HB2 PRO 29 22.980 -0.005 -3.787 243 2HB PRO 29 HB1 PRO 29 22.232 -1.606 -3.688 244 1HG PRO 29 HG2 PRO 29 20.948 1.074 -3.754 245 2HG PRO 29 HG1 PRO 29 20.441 -0.441 -4.515 246 1HD PRO 29 HD2 PRO 29 19.321 0.534 -2.237 247 2HD PRO 29 HD1 PRO 29 19.396 -1.197 -2.629 248 H GLN 30 HN GLN 30 22.293 1.828 -2.744 249 HA GLN 30 HA GLN 30 23.348 3.873 -2.238 250 1HB GLN 30 HB2 GLN 30 22.840 2.451 0.333 251 2HB GLN 30 HB1 GLN 30 23.924 3.838 0.409 252 1HG GLN 30 HG2 GLN 30 21.272 4.015 -1.019 253 2HG GLN 30 HG1 GLN 30 21.387 4.271 0.722 254 1HE2 GLN 30 HE21 GLN 30 20.706 6.324 -1.325 255 2HE2 GLN 30 HE22 GLN 30 21.897 7.526 -1.200 256 H LEU 31 HN LEU 31 25.478 4.527 -0.578 257 HA LEU 31 HA LEU 31 27.692 2.858 -1.717 258 1HB LEU 31 HB2 LEU 31 27.342 5.759 -0.961 259 2HB LEU 31 HB1 LEU 31 28.955 5.069 -1.142 260 HG LEU 31 HG LEU 31 26.966 4.554 -3.314 261 1HD1 LEU 31 HD11 LEU 31 27.482 6.687 -4.391 262 2HD1 LEU 31 HD12 LEU 31 28.506 7.152 -3.033 263 3HD1 LEU 31 HD13 LEU 31 26.765 6.989 -2.808 264 1HD2 LEU 31 HD21 LEU 31 29.936 5.189 -3.291 265 2HD2 LEU 31 HD22 LEU 31 29.001 4.655 -4.687 266 3HD2 LEU 31 HD23 LEU 31 29.248 3.565 -3.323 Start of MODEL 34 1 1H SER 1 HT1 SER 1 -26.178 0.947 -3.761 2 2H SER 1 HT2 SER 1 -27.173 1.653 -4.942 3 3H SER 1 HT3 SER 1 -25.489 1.868 -5.006 4 HA SER 1 HA SER 1 -27.010 -0.641 -5.498 5 1HB SER 1 HB2 SER 1 -26.744 1.253 -7.217 6 2HB SER 1 HB1 SER 1 -25.026 0.870 -7.217 7 HG SER 1 HG SER 1 -26.099 -0.294 -8.834 8 H GLY 2 HN GLY 2 -23.664 0.700 -5.620 9 1HA GLY 2 HA2 GLY 2 -22.661 -2.009 -4.862 10 2HA GLY 2 HA1 GLY 2 -21.710 -0.783 -5.697 11 H SER 3 HN SER 3 -20.365 -1.666 -3.648 12 HA SER 3 HA SER 3 -21.006 -0.018 -1.241 13 1HB SER 3 HB2 SER 3 -19.070 -1.545 -0.354 14 2HB SER 3 HB1 SER 3 -20.652 -2.261 -0.637 15 HG SER 3 HG SER 3 -19.791 -3.450 -2.139 16 H TRP 4 HN TRP 4 -20.172 2.032 -1.670 17 HA TRP 4 HA TRP 4 -17.749 2.567 -3.126 18 1HB TRP 4 HB2 TRP 4 -19.882 3.963 -1.806 19 2HB TRP 4 HB1 TRP 4 -18.351 4.654 -1.270 20 HD1 TRP 4 HD1 TRP 4 -20.773 5.137 -3.861 21 HE1 TRP 4 HE1 TRP 4 -19.756 6.239 -5.957 22 HE3 TRP 4 HE3 TRP 4 -15.804 4.440 -2.905 23 HZ2 TRP 4 HZ2 TRP 4 -17.176 6.756 -7.081 24 HZ3 TRP 4 HZ3 TRP 4 -14.091 5.245 -4.503 25 HH2 TRP 4 HH2 TRP 4 -14.770 6.402 -6.587 26 H LEU 5 HN LEU 5 -18.408 2.002 0.319 27 HA LEU 5 HA LEU 5 -15.936 2.913 1.417 28 1HB LEU 5 HB2 LEU 5 -18.185 1.129 2.137 29 2HB LEU 5 HB1 LEU 5 -16.672 0.754 2.960 30 HG LEU 5 HG LEU 5 -16.567 3.343 3.376 31 1HD1 LEU 5 HD11 LEU 5 -19.508 2.858 2.815 32 2HD1 LEU 5 HD12 LEU 5 -18.444 3.992 1.986 33 3HD1 LEU 5 HD13 LEU 5 -18.890 4.272 3.668 34 1HD2 LEU 5 HD21 LEU 5 -17.831 3.032 5.477 35 2HD2 LEU 5 HD22 LEU 5 -16.825 1.624 5.136 36 3HD2 LEU 5 HD23 LEU 5 -18.559 1.566 4.824 37 H ARG 6 HN ARG 6 -16.865 -0.241 0.023 38 HA ARG 6 HA ARG 6 -14.350 -1.574 0.530 39 1HB ARG 6 HB2 ARG 6 -16.775 -2.404 -0.131 40 2HB ARG 6 HB1 ARG 6 -16.175 -2.207 -1.777 41 1HG ARG 6 HG2 ARG 6 -14.694 -3.948 -1.593 42 2HG ARG 6 HG1 ARG 6 -14.383 -3.641 0.116 43 1HD ARG 6 HD2 ARG 6 -16.433 -4.713 0.777 44 2HD ARG 6 HD1 ARG 6 -17.007 -4.781 -0.901 45 HE ARG 6 HE ARG 6 -14.427 -6.123 -0.356 46 1HH1 ARG 6 HH21 ARG 6 -16.084 -6.746 -2.756 47 2HH1 ARG 6 HH22 ARG 6 -16.850 -8.232 -2.307 48 1HH2 ARG 6 HH11 ARG 6 -16.168 -7.864 1.081 49 2HH2 ARG 6 HH12 ARG 6 -16.896 -8.869 -0.126 50 H ASP 7 HN ASP 7 -15.634 0.343 -2.179 51 HA ASP 7 HA ASP 7 -13.608 -0.136 -4.121 52 1HB ASP 7 HB2 ASP 7 -15.879 1.102 -4.231 53 2HB ASP 7 HB1 ASP 7 -14.999 2.507 -3.632 54 H ILE 8 HN ILE 8 -13.728 2.173 -1.405 55 HA ILE 8 HA ILE 8 -11.116 3.348 -2.128 56 HB ILE 8 HB ILE 8 -13.174 3.750 0.063 57 1HG1 ILE 8 HG12 ILE 8 -12.204 5.852 -1.841 58 2HG1 ILE 8 HG11 ILE 8 -13.274 4.596 -2.465 59 1HG2 ILE 8 HG21 ILE 8 -11.712 5.817 0.588 60 2HG2 ILE 8 HG22 ILE 8 -10.421 4.957 -0.252 61 3HG2 ILE 8 HG23 ILE 8 -11.152 4.258 1.194 62 1HD1 ILE 8 HD11 ILE 8 -14.404 6.714 -1.554 63 2HD1 ILE 8 HD12 ILE 8 -13.926 6.145 0.045 64 3HD1 ILE 8 HD13 ILE 8 -15.011 5.173 -0.949 65 H TRP 9 HN TRP 9 -12.481 1.323 0.501 66 HA TRP 9 HA TRP 9 -10.123 1.072 2.079 67 1HB TRP 9 HB2 TRP 9 -12.475 0.426 2.680 68 2HB TRP 9 HB1 TRP 9 -12.326 -0.964 1.606 69 HD1 TRP 9 HD1 TRP 9 -12.021 -3.013 3.084 70 HE1 TRP 9 HE1 TRP 9 -10.517 -3.635 5.083 71 HE3 TRP 9 HE3 TRP 9 -9.743 1.485 3.914 72 HZ2 TRP 9 HZ2 TRP 9 -8.601 -2.391 6.805 73 HZ3 TRP 9 HZ3 TRP 9 -8.085 1.736 5.736 74 HH2 TRP 9 HH2 TRP 9 -7.512 -0.194 7.181 75 H ASP 10 HN ASP 10 -11.249 -0.842 -0.721 76 HA ASP 10 HA ASP 10 -9.284 -2.907 -0.643 77 1HB ASP 10 HB2 ASP 10 -11.266 -2.983 -2.056 78 2HB ASP 10 HB1 ASP 10 -10.747 -1.541 -2.928 79 H TRP 11 HN TRP 11 -9.236 0.250 -2.345 80 HA TRP 11 HA TRP 11 -6.632 -0.020 -3.508 81 1HB TRP 11 HB2 TRP 11 -8.266 1.637 -4.236 82 2HB TRP 11 HB1 TRP 11 -8.285 2.377 -2.636 83 HD1 TRP 11 HD1 TRP 11 -6.030 1.939 -5.707 84 HE1 TRP 11 HE1 TRP 11 -4.216 3.769 -5.660 85 HE3 TRP 11 HE3 TRP 11 -6.992 4.019 -1.145 86 HZ2 TRP 11 HZ2 TRP 11 -3.295 5.844 -3.919 87 HZ3 TRP 11 HZ3 TRP 11 -5.632 5.919 -0.316 88 HH2 TRP 11 HH2 TRP 11 -3.787 6.832 -1.697 89 H ILE 12 HN ILE 12 -7.697 1.356 -0.377 90 HA ILE 12 HA ILE 12 -5.180 2.355 0.516 91 HB ILE 12 HB ILE 12 -7.620 1.215 1.916 92 1HG1 ILE 12 HG12 ILE 12 -6.614 4.069 1.753 93 2HG1 ILE 12 HG11 ILE 12 -7.719 3.382 0.563 94 1HG2 ILE 12 HG21 ILE 12 -6.566 2.617 3.889 95 2HG2 ILE 12 HG22 ILE 12 -5.052 2.290 3.047 96 3HG2 ILE 12 HG23 ILE 12 -6.048 0.953 3.620 97 1HD1 ILE 12 HD11 ILE 12 -9.267 2.783 2.462 98 2HD1 ILE 12 HD12 ILE 12 -9.052 4.517 2.232 99 3HD1 ILE 12 HD13 ILE 12 -8.205 3.689 3.539 100 H CYS 13 HN CYS 13 -6.578 -0.914 0.629 101 HA CYS 13 HA CYS 13 -4.493 -2.097 2.263 102 1HB CYS 13 HB2 CYS 13 -6.871 -2.907 1.847 103 2HB CYS 13 HB1 CYS 13 -6.337 -3.417 0.246 104 HG CYS 13 HG CYS 13 -4.716 -5.123 1.359 105 H GLU 14 HN GLU 14 -5.041 -1.809 -1.262 106 HA GLU 14 HA GLU 14 -2.855 -3.458 -2.109 107 1HB GLU 14 HB2 GLU 14 -4.752 -1.489 -3.204 108 2HB GLU 14 HB1 GLU 14 -3.218 -1.550 -4.068 109 1HG GLU 14 HG2 GLU 14 -4.202 -4.221 -3.428 110 2HG GLU 14 HG1 GLU 14 -5.360 -3.310 -4.396 111 H VAL 15 HN VAL 15 -3.097 0.028 -1.458 112 HA VAL 15 HA VAL 15 -0.389 0.699 -2.211 113 HB VAL 15 HB VAL 15 -2.365 2.004 -0.303 114 1HG1 VAL 15 HG11 VAL 15 -0.495 3.226 0.207 115 2HG1 VAL 15 HG12 VAL 15 -0.880 4.038 -1.311 116 3HG1 VAL 15 HG13 VAL 15 0.338 2.763 -1.277 117 1HG2 VAL 15 HG21 VAL 15 -1.891 3.193 -2.953 118 2HG2 VAL 15 HG22 VAL 15 -3.413 2.871 -2.122 119 3HG2 VAL 15 HG23 VAL 15 -2.613 1.585 -3.026 120 H LEU 16 HN LEU 16 -1.891 -0.392 0.823 121 HA LEU 16 HA LEU 16 0.285 0.117 2.609 122 1HB LEU 16 HB2 LEU 16 -2.108 -0.536 3.134 123 2HB LEU 16 HB1 LEU 16 -1.700 -2.182 2.652 124 HG LEU 16 HG LEU 16 0.239 -1.063 4.538 125 1HD1 LEU 16 HD11 LEU 16 -2.657 -1.360 5.393 126 2HD1 LEU 16 HD12 LEU 16 -1.706 0.126 5.416 127 3HD1 LEU 16 HD13 LEU 16 -1.294 -1.202 6.502 128 1HD2 LEU 16 HD21 LEU 16 -1.568 -3.503 4.603 129 2HD2 LEU 16 HD22 LEU 16 -0.174 -3.227 5.648 130 3HD2 LEU 16 HD23 LEU 16 0.055 -3.454 3.914 131 H SER 17 HN SER 17 -0.506 -2.760 0.623 132 HA SER 17 HA SER 17 1.723 -4.374 1.465 133 1HB SER 17 HB2 SER 17 -0.210 -4.269 -0.827 134 2HB SER 17 HB1 SER 17 1.188 -5.333 -0.964 135 HG SER 17 HG SER 17 -0.921 -6.058 0.122 136 H ASP 18 HN ASP 18 1.285 -2.016 -1.172 137 HA ASP 18 HA ASP 18 3.886 -2.402 -2.381 138 1HB ASP 18 HB2 ASP 18 1.984 -1.379 -3.548 139 2HB ASP 18 HB1 ASP 18 1.924 -0.080 -2.355 140 H PHE 19 HN PHE 19 2.596 -0.164 0.083 141 HA PHE 19 HA PHE 19 4.811 1.546 0.452 142 1HB PHE 19 HB2 PHE 19 2.362 1.004 1.663 143 2HB PHE 19 HB1 PHE 19 3.525 0.633 2.933 144 HD1 PHE 19 HD1 PHE 19 5.534 2.415 3.102 145 HD2 PHE 19 HD2 PHE 19 1.631 3.211 1.492 146 HE1 PHE 19 HE1 PHE 19 5.856 4.837 3.522 147 HE2 PHE 19 HE2 PHE 19 1.954 5.634 1.913 148 HZ PHE 19 HZ PHE 19 4.066 6.446 2.927 149 H LYS 20 HN LYS 20 4.172 -1.660 1.892 150 HA LYS 20 HA LYS 20 6.528 -1.828 3.516 151 1HB LYS 20 HB2 LYS 20 4.477 -3.268 3.629 152 2HB LYS 20 HB1 LYS 20 4.958 -4.017 2.107 153 1HG LYS 20 HG2 LYS 20 5.876 -5.520 3.619 154 2HG LYS 20 HG1 LYS 20 7.237 -4.423 3.396 155 1HD LYS 20 HD2 LYS 20 7.036 -3.520 5.493 156 2HD LYS 20 HD1 LYS 20 5.279 -3.673 5.505 157 1HE LYS 20 HE2 LYS 20 7.008 -6.147 5.603 158 2HE LYS 20 HE1 LYS 20 6.652 -5.238 7.085 159 1HZ LYS 20 HZ1 LYS 20 4.613 -6.192 5.138 160 2HZ LYS 20 HZ2 LYS 20 4.303 -5.368 6.591 161 3HZ LYS 20 HZ3 LYS 20 4.956 -6.937 6.623 162 H THR 21 HN THR 21 5.867 -2.976 0.178 163 HA THR 21 HA THR 21 8.499 -4.043 -0.316 164 HB THR 21 HB THR 21 6.430 -2.908 -2.234 165 HG1 THR 21 HG1 THR 21 5.289 -4.551 -1.658 166 1HG2 THR 21 HG21 THR 21 8.078 -3.389 -3.720 167 2HG2 THR 21 HG22 THR 21 7.601 -5.065 -3.452 168 3HG2 THR 21 HG23 THR 21 8.962 -4.383 -2.563 169 H TRP 22 HN TRP 22 7.032 -0.840 -0.887 170 HA TRP 22 HA TRP 22 9.097 0.408 -2.371 171 1HB TRP 22 HB2 TRP 22 6.728 1.170 -1.542 172 2HB TRP 22 HB1 TRP 22 7.597 1.767 -0.134 173 HD1 TRP 22 HD1 TRP 22 6.976 2.477 -3.785 174 HE1 TRP 22 HE1 TRP 22 8.123 4.695 -4.431 175 HE3 TRP 22 HE3 TRP 22 9.718 3.312 0.439 176 HZ2 TRP 22 HZ2 TRP 22 9.963 6.574 -3.302 177 HZ3 TRP 22 HZ3 TRP 22 11.157 5.320 0.630 178 HH2 TRP 22 HH2 TRP 22 11.283 6.951 -1.234 179 H LEU 23 HN LEU 23 8.673 0.201 1.168 180 HA LEU 23 HA LEU 23 11.122 1.551 1.871 181 1HB LEU 23 HB2 LEU 23 8.955 0.003 3.137 182 2HB LEU 23 HB1 LEU 23 10.506 -0.152 3.963 183 HG LEU 23 HG LEU 23 10.610 2.454 3.698 184 1HD1 LEU 23 HD11 LEU 23 8.436 3.538 3.653 185 2HD1 LEU 23 HD12 LEU 23 7.616 1.979 3.599 186 3HD1 LEU 23 HD13 LEU 23 8.580 2.517 2.224 187 1HD2 LEU 23 HD21 LEU 23 10.428 1.251 5.849 188 2HD2 LEU 23 HD22 LEU 23 8.683 1.113 5.626 189 3HD2 LEU 23 HD23 LEU 23 9.421 2.699 5.853 190 H LYS 24 HN LYS 24 10.298 -1.909 1.442 191 HA LYS 24 HA LYS 24 12.848 -2.971 2.250 192 1HB LYS 24 HB2 LYS 24 10.451 -3.867 0.682 193 2HB LYS 24 HB1 LYS 24 11.906 -4.863 0.625 194 1HG LYS 24 HG2 LYS 24 11.927 -4.809 3.158 195 2HG LYS 24 HG1 LYS 24 10.339 -4.046 3.085 196 1HD LYS 24 HD2 LYS 24 9.703 -6.268 3.238 197 2HD LYS 24 HD1 LYS 24 9.800 -6.097 1.485 198 1HE LYS 24 HE2 LYS 24 12.389 -6.745 2.036 199 2HE LYS 24 HE1 LYS 24 11.553 -7.635 3.325 200 1HZ LYS 24 HZ1 LYS 24 9.969 -8.416 1.573 201 2HZ LYS 24 HZ2 LYS 24 11.549 -9.019 1.405 202 3HZ LYS 24 HZ3 LYS 24 11.010 -7.756 0.406 203 H ALA 25 HN ALA 25 11.538 -2.016 -0.937 204 HA ALA 25 HA ALA 25 13.766 -2.844 -2.536 205 1HB ALA 25 HB1 ALA 25 12.752 -1.288 -4.171 206 2HB ALA 25 HB2 ALA 25 11.792 -0.560 -2.884 207 3HB ALA 25 HB3 ALA 25 11.508 -2.235 -3.357 208 H LYS 26 HN LYS 26 13.125 0.155 -0.731 209 HA LYS 26 HA LYS 26 15.463 1.568 -1.770 210 1HB LYS 26 HB2 LYS 26 13.363 1.961 0.349 211 2HB LYS 26 HB1 LYS 26 14.773 3.019 0.324 212 1HG LYS 26 HG2 LYS 26 13.425 2.571 -2.288 213 2HG LYS 26 HG1 LYS 26 12.536 3.531 -1.106 214 1HD LYS 26 HD2 LYS 26 15.435 4.096 -1.736 215 2HD LYS 26 HD1 LYS 26 14.130 4.801 -2.689 216 1HE LYS 26 HE2 LYS 26 13.199 5.410 -0.235 217 2HE LYS 26 HE1 LYS 26 14.937 5.381 0.126 218 1HZ LYS 26 HZ1 LYS 26 14.351 7.557 -0.676 219 2HZ LYS 26 HZ2 LYS 26 13.606 6.901 -2.057 220 3HZ LYS 26 HZ3 LYS 26 15.290 6.781 -1.857 221 H LEU 27 HN LEU 27 14.708 -0.326 1.148 222 HA LEU 27 HA LEU 27 17.248 0.276 2.468 223 1HB LEU 27 HB2 LEU 27 15.005 -0.289 3.531 224 2HB LEU 27 HB1 LEU 27 15.266 -1.953 3.009 225 HG LEU 27 HG LEU 27 17.668 -1.090 4.270 226 1HD1 LEU 27 HD11 LEU 27 15.134 -0.244 5.654 227 2HD1 LEU 27 HD12 LEU 27 16.671 0.612 5.530 228 3HD1 LEU 27 HD13 LEU 27 16.519 -0.777 6.607 229 1HD2 LEU 27 HD21 LEU 27 15.473 -2.909 5.312 230 2HD2 LEU 27 HD22 LEU 27 17.175 -2.943 5.774 231 3HD2 LEU 27 HD23 LEU 27 16.696 -3.396 4.138 232 H MET 28 HN MET 28 16.021 -2.283 0.343 233 HA MET 28 HA MET 28 18.006 -4.277 0.830 234 1HB MET 28 HB2 MET 28 15.842 -4.479 -0.447 235 2HB MET 28 HB1 MET 28 16.597 -3.590 -1.770 236 1HG MET 28 HG2 MET 28 16.998 -5.790 -2.422 237 2HG MET 28 HG1 MET 28 18.478 -5.426 -1.534 238 1HE MET 28 HE1 MET 28 18.688 -7.912 -1.714 239 2HE MET 28 HE2 MET 28 18.345 -8.910 -0.303 240 3HE MET 28 HE3 MET 28 19.363 -7.482 -0.137 241 HA PRO 29 HA PRO 29 21.424 -1.982 -0.947 242 1HB PRO 29 HB2 PRO 29 23.353 -3.820 -0.329 243 2HB PRO 29 HB1 PRO 29 22.689 -2.679 0.855 244 1HG PRO 29 HG2 PRO 29 22.100 -5.562 0.468 245 2HG PRO 29 HG1 PRO 29 22.177 -4.614 1.960 246 1HD PRO 29 HD2 PRO 29 19.844 -5.368 0.704 247 2HD PRO 29 HD1 PRO 29 19.992 -3.994 1.821 248 H GLN 30 HN GLN 30 23.373 -2.831 -2.419 249 HA GLN 30 HA GLN 30 24.032 -3.739 -4.484 250 1HB GLN 30 HB2 GLN 30 22.237 -5.932 -3.401 251 2HB GLN 30 HB1 GLN 30 23.243 -6.121 -4.836 252 1HG GLN 30 HG2 GLN 30 25.214 -5.393 -3.374 253 2HG GLN 30 HG1 GLN 30 24.141 -5.617 -1.992 254 1HE2 GLN 30 HE21 GLN 30 22.806 -7.925 -2.399 255 2HE2 GLN 30 HE22 GLN 30 23.852 -9.229 -2.693 256 H LEU 31 HN LEU 31 20.817 -5.253 -4.641 257 HA LEU 31 HA LEU 31 20.124 -3.360 -6.868 258 1HB LEU 31 HB2 LEU 31 20.614 -6.109 -6.921 259 2HB LEU 31 HB1 LEU 31 18.856 -6.001 -6.911 260 HG LEU 31 HG LEU 31 19.684 -5.984 -9.219 261 1HD1 LEU 31 HD11 LEU 31 18.790 -3.189 -8.466 262 2HD1 LEU 31 HD12 LEU 31 17.699 -4.572 -8.539 263 3HD1 LEU 31 HD13 LEU 31 18.524 -4.022 -9.997 264 1HD2 LEU 31 HD21 LEU 31 21.222 -4.358 -10.038 265 2HD2 LEU 31 HD22 LEU 31 21.923 -4.938 -8.528 266 3HD2 LEU 31 HD23 LEU 31 21.091 -3.385 -8.573 Start of MODEL 35 1 1H SER 1 HT1 SER 1 -17.817 -3.416 -10.296 2 2H SER 1 HT2 SER 1 -18.607 -4.900 -10.541 3 3H SER 1 HT3 SER 1 -16.923 -4.858 -10.313 4 HA SER 1 HA SER 1 -18.043 -5.608 -8.288 5 1HB SER 1 HB2 SER 1 -16.872 -2.813 -8.096 6 2HB SER 1 HB1 SER 1 -16.820 -4.065 -6.859 7 HG SER 1 HG SER 1 -14.885 -3.870 -8.159 8 H GLY 2 HN GLY 2 -18.696 -2.099 -8.764 9 1HA GLY 2 HA2 GLY 2 -20.757 -0.949 -8.518 10 2HA GLY 2 HA1 GLY 2 -21.534 -2.481 -8.115 11 H SER 3 HN SER 3 -18.610 -1.417 -6.483 12 HA SER 3 HA SER 3 -20.211 -1.033 -3.978 13 1HB SER 3 HB2 SER 3 -17.883 -1.700 -2.987 14 2HB SER 3 HB1 SER 3 -18.877 -2.956 -3.715 15 HG SER 3 HG SER 3 -16.710 -1.541 -4.898 16 H TRP 4 HN TRP 4 -19.966 0.919 -2.931 17 HA TRP 4 HA TRP 4 -18.143 2.938 -4.144 18 1HB TRP 4 HB2 TRP 4 -20.736 3.055 -3.509 19 2HB TRP 4 HB1 TRP 4 -20.082 3.509 -1.936 20 HD1 TRP 4 HD1 TRP 4 -20.638 4.795 -5.419 21 HE1 TRP 4 HE1 TRP 4 -19.829 7.238 -5.582 22 HE3 TRP 4 HE3 TRP 4 -18.196 5.218 -0.952 23 HZ2 TRP 4 HZ2 TRP 4 -18.343 9.121 -4.024 24 HZ3 TRP 4 HZ3 TRP 4 -17.096 7.345 -0.318 25 HH2 TRP 4 HH2 TRP 4 -17.166 9.295 -1.847 26 H LEU 5 HN LEU 5 -18.674 1.188 -1.102 27 HA LEU 5 HA LEU 5 -16.540 2.773 0.244 28 1HB LEU 5 HB2 LEU 5 -18.840 1.050 1.004 29 2HB LEU 5 HB1 LEU 5 -17.440 0.974 2.075 30 HG LEU 5 HG LEU 5 -18.561 3.625 1.170 31 1HD1 LEU 5 HD11 LEU 5 -20.415 2.373 2.201 32 2HD1 LEU 5 HD12 LEU 5 -19.876 3.673 3.263 33 3HD1 LEU 5 HD13 LEU 5 -19.401 2.007 3.595 34 1HD2 LEU 5 HD21 LEU 5 -16.654 2.601 3.235 35 2HD2 LEU 5 HD22 LEU 5 -17.609 4.029 3.636 36 3HD2 LEU 5 HD23 LEU 5 -16.547 4.045 2.227 37 H ARG 6 HN ARG 6 -17.361 -0.669 -0.390 38 HA ARG 6 HA ARG 6 -14.998 -1.877 0.577 39 1HB ARG 6 HB2 ARG 6 -17.317 -2.616 -0.754 40 2HB ARG 6 HB1 ARG 6 -16.056 -3.018 -1.918 41 1HG ARG 6 HG2 ARG 6 -15.665 -4.895 -0.738 42 2HG ARG 6 HG1 ARG 6 -15.063 -3.877 0.570 43 1HD ARG 6 HD2 ARG 6 -17.730 -3.634 1.011 44 2HD ARG 6 HD1 ARG 6 -17.680 -5.268 0.319 45 HE ARG 6 HE ARG 6 -15.995 -4.418 2.650 46 1HH1 ARG 6 HH21 ARG 6 -15.012 -6.884 1.433 47 2HH1 ARG 6 HH22 ARG 6 -15.912 -8.125 2.239 48 1HH2 ARG 6 HH11 ARG 6 -18.350 -5.949 3.424 49 2HH2 ARG 6 HH12 ARG 6 -17.810 -7.592 3.371 50 H ASP 7 HN ASP 7 -15.598 -0.303 -2.555 51 HA ASP 7 HA ASP 7 -13.193 -1.106 -3.895 52 1HB ASP 7 HB2 ASP 7 -15.481 0.559 -4.291 53 2HB ASP 7 HB1 ASP 7 -14.056 1.530 -4.655 54 H ILE 8 HN ILE 8 -13.964 1.831 -1.986 55 HA ILE 8 HA ILE 8 -11.411 3.105 -2.224 56 HB ILE 8 HB ILE 8 -13.623 3.171 -0.146 57 1HG1 ILE 8 HG12 ILE 8 -12.813 5.179 -2.275 58 2HG1 ILE 8 HG11 ILE 8 -14.093 3.985 -2.486 59 1HG2 ILE 8 HG21 ILE 8 -11.717 3.942 1.050 60 2HG2 ILE 8 HG22 ILE 8 -12.508 5.409 0.474 61 3HG2 ILE 8 HG23 ILE 8 -11.079 4.793 -0.357 62 1HD1 ILE 8 HD11 ILE 8 -14.050 6.005 -0.227 63 2HD1 ILE 8 HD12 ILE 8 -15.379 4.936 -0.677 64 3HD1 ILE 8 HD13 ILE 8 -14.910 6.258 -1.746 65 H TRP 9 HN TRP 9 -12.717 0.904 0.285 66 HA TRP 9 HA TRP 9 -10.454 0.873 2.017 67 1HB TRP 9 HB2 TRP 9 -12.695 -1.039 1.353 68 2HB TRP 9 HB1 TRP 9 -11.475 -1.464 2.553 69 HD1 TRP 9 HD1 TRP 9 -14.744 0.000 2.412 70 HE1 TRP 9 HE1 TRP 9 -15.219 1.527 4.436 71 HE3 TRP 9 HE3 TRP 9 -9.996 0.606 4.193 72 HZ2 TRP 9 HZ2 TRP 9 -13.773 2.832 6.532 73 HZ3 TRP 9 HZ3 TRP 9 -9.574 1.993 6.203 74 HH2 TRP 9 HH2 TRP 9 -11.455 3.106 7.374 75 H ASP 10 HN ASP 10 -11.194 -1.064 -0.885 76 HA ASP 10 HA ASP 10 -9.016 -2.918 -0.688 77 1HB ASP 10 HB2 ASP 10 -10.886 -3.282 -2.179 78 2HB ASP 10 HB1 ASP 10 -10.591 -1.753 -3.006 79 H TRP 11 HN TRP 11 -9.287 0.236 -2.378 80 HA TRP 11 HA TRP 11 -6.632 0.282 -3.457 81 1HB TRP 11 HB2 TRP 11 -8.438 1.760 -4.200 82 2HB TRP 11 HB1 TRP 11 -8.538 2.487 -2.596 83 HD1 TRP 11 HD1 TRP 11 -6.216 2.262 -5.640 84 HE1 TRP 11 HE1 TRP 11 -4.570 4.245 -5.564 85 HE3 TRP 11 HE3 TRP 11 -7.426 4.239 -1.091 86 HZ2 TRP 11 HZ2 TRP 11 -3.862 6.390 -3.805 87 HZ3 TRP 11 HZ3 TRP 11 -6.252 6.247 -0.239 88 HH2 TRP 11 HH2 TRP 11 -4.473 7.325 -1.589 89 H ILE 12 HN ILE 12 -7.959 1.432 -0.346 90 HA ILE 12 HA ILE 12 -5.612 2.696 0.676 91 HB ILE 12 HB ILE 12 -7.968 1.253 1.933 92 1HG1 ILE 12 HG12 ILE 12 -7.322 4.202 1.995 93 2HG1 ILE 12 HG11 ILE 12 -8.144 3.485 0.611 94 1HG2 ILE 12 HG21 ILE 12 -7.192 2.659 4.001 95 2HG2 ILE 12 HG22 ILE 12 -5.611 2.620 3.220 96 3HG2 ILE 12 HG23 ILE 12 -6.405 1.114 3.680 97 1HD1 ILE 12 HD11 ILE 12 -9.702 4.420 2.361 98 2HD1 ILE 12 HD12 ILE 12 -9.106 3.183 3.468 99 3HD1 ILE 12 HD13 ILE 12 -9.963 2.714 2.000 100 H CYS 13 HN CYS 13 -6.610 -0.704 0.565 101 HA CYS 13 HA CYS 13 -4.458 -1.702 2.260 102 1HB CYS 13 HB2 CYS 13 -6.775 -2.711 1.674 103 2HB CYS 13 HB1 CYS 13 -6.019 -3.228 0.166 104 HG CYS 13 HG CYS 13 -5.014 -5.103 1.417 105 H GLU 14 HN GLU 14 -4.973 -1.299 -1.247 106 HA GLU 14 HA GLU 14 -2.661 -2.694 -2.190 107 1HB GLU 14 HB2 GLU 14 -4.803 -1.170 -3.195 108 2HB GLU 14 HB1 GLU 14 -3.352 -0.325 -3.729 109 1HG GLU 14 HG2 GLU 14 -2.495 -2.663 -4.449 110 2HG GLU 14 HG1 GLU 14 -4.178 -3.170 -4.296 111 H VAL 15 HN VAL 15 -3.136 0.645 -1.120 112 HA VAL 15 HA VAL 15 -0.510 1.631 -1.807 113 HB VAL 15 HB VAL 15 -2.566 2.480 0.268 114 1HG1 VAL 15 HG11 VAL 15 -0.151 3.925 -0.859 115 2HG1 VAL 15 HG12 VAL 15 -0.429 3.479 0.825 116 3HG1 VAL 15 HG13 VAL 15 -1.429 4.715 0.063 117 1HG2 VAL 15 HG21 VAL 15 -2.185 4.077 -2.179 118 2HG2 VAL 15 HG22 VAL 15 -3.677 3.536 -1.412 119 3HG2 VAL 15 HG23 VAL 15 -2.793 2.449 -2.482 120 H LEU 16 HN LEU 16 -1.875 0.102 1.107 121 HA LEU 16 HA LEU 16 0.382 0.496 2.843 122 1HB LEU 16 HB2 LEU 16 -2.087 -0.244 3.267 123 2HB LEU 16 HB1 LEU 16 -1.490 -1.869 2.931 124 HG LEU 16 HG LEU 16 0.330 -0.539 4.728 125 1HD1 LEU 16 HD11 LEU 16 -1.128 -0.191 6.641 126 2HD1 LEU 16 HD12 LEU 16 -2.533 -0.718 5.714 127 3HD1 LEU 16 HD13 LEU 16 -1.719 0.792 5.301 128 1HD2 LEU 16 HD21 LEU 16 0.235 -2.925 4.605 129 2HD2 LEU 16 HD22 LEU 16 -1.508 -2.941 4.873 130 3HD2 LEU 16 HD23 LEU 16 -0.419 -2.504 6.188 131 H SER 17 HN SER 17 -0.559 -2.296 0.779 132 HA SER 17 HA SER 17 1.688 -3.954 1.430 133 1HB SER 17 HB2 SER 17 1.050 -4.983 -0.846 134 2HB SER 17 HB1 SER 17 -0.213 -4.927 0.376 135 HG SER 17 HG SER 17 0.159 -3.305 -1.906 136 H ASP 18 HN ASP 18 1.236 -1.410 -1.016 137 HA ASP 18 HA ASP 18 3.684 -1.854 -2.469 138 1HB ASP 18 HB2 ASP 18 1.568 -0.455 -3.016 139 2HB ASP 18 HB1 ASP 18 2.306 0.805 -2.025 140 H PHE 19 HN PHE 19 2.860 0.300 0.271 141 HA PHE 19 HA PHE 19 5.376 1.589 0.588 142 1HB PHE 19 HB2 PHE 19 2.879 1.403 1.888 143 2HB PHE 19 HB1 PHE 19 4.069 0.946 3.104 144 HD1 PHE 19 HD1 PHE 19 2.431 3.674 1.589 145 HD2 PHE 19 HD2 PHE 19 6.254 2.474 3.139 146 HE1 PHE 19 HE1 PHE 19 3.064 6.054 1.874 147 HE2 PHE 19 HE2 PHE 19 6.887 4.854 3.422 148 HZ PHE 19 HZ PHE 19 5.291 6.646 2.790 149 H LYS 20 HN LYS 20 4.192 -1.543 1.784 150 HA LYS 20 HA LYS 20 6.396 -2.212 3.486 151 1HB LYS 20 HB2 LYS 20 4.285 -3.702 1.935 152 2HB LYS 20 HB1 LYS 20 5.537 -4.602 2.790 153 1HG LYS 20 HG2 LYS 20 4.492 -2.518 4.496 154 2HG LYS 20 HG1 LYS 20 3.169 -3.510 3.882 155 1HD LYS 20 HD2 LYS 20 5.281 -5.287 4.568 156 2HD LYS 20 HD1 LYS 20 5.102 -4.160 5.911 157 1HE LYS 20 HE2 LYS 20 3.586 -5.998 6.331 158 2HE LYS 20 HE1 LYS 20 2.587 -4.629 5.809 159 1HZ LYS 20 HZ1 LYS 20 2.302 -6.912 4.641 160 2HZ LYS 20 HZ2 LYS 20 3.712 -6.475 3.800 161 3HZ LYS 20 HZ3 LYS 20 2.323 -5.499 3.704 162 H THR 21 HN THR 21 5.819 -2.801 -0.002 163 HA THR 21 HA THR 21 8.368 -4.192 -0.377 164 HB THR 21 HB THR 21 6.545 -2.903 -2.433 165 HG1 THR 21 HG1 THR 21 5.132 -4.348 -1.922 166 1HG2 THR 21 HG21 THR 21 8.728 -4.945 -2.459 167 2HG2 THR 21 HG22 THR 21 8.363 -3.678 -3.630 168 3HG2 THR 21 HG23 THR 21 7.389 -5.146 -3.588 169 H TRP 22 HN TRP 22 7.177 -0.871 -0.746 170 HA TRP 22 HA TRP 22 9.268 0.305 -2.253 171 1HB TRP 22 HB2 TRP 22 7.012 1.183 -1.188 172 2HB TRP 22 HB1 TRP 22 8.052 1.644 0.155 173 HD1 TRP 22 HD1 TRP 22 7.480 2.345 -3.568 174 HE1 TRP 22 HE1 TRP 22 8.612 4.583 -4.164 175 HE3 TRP 22 HE3 TRP 22 9.891 3.308 0.827 176 HZ2 TRP 22 HZ2 TRP 22 10.316 6.527 -2.936 177 HZ3 TRP 22 HZ3 TRP 22 11.261 5.357 1.088 178 HH2 TRP 22 HH2 TRP 22 11.476 6.967 -0.787 179 H LEU 23 HN LEU 23 8.994 -0.078 1.290 180 HA LEU 23 HA LEU 23 11.601 0.965 1.934 181 1HB LEU 23 HB2 LEU 23 9.384 -0.529 3.233 182 2HB LEU 23 HB1 LEU 23 10.964 -0.705 3.995 183 HG LEU 23 HG LEU 23 11.103 1.886 3.795 184 1HD1 LEU 23 HD11 LEU 23 9.157 2.174 2.332 185 2HD1 LEU 23 HD12 LEU 23 8.868 2.975 3.876 186 3HD1 LEU 23 HD13 LEU 23 8.116 1.416 3.537 187 1HD2 LEU 23 HD21 LEU 23 10.815 0.557 5.910 188 2HD2 LEU 23 HD22 LEU 23 9.068 0.675 5.693 189 3HD2 LEU 23 HD23 LEU 23 10.023 2.133 5.960 190 H LYS 24 HN LYS 24 10.402 -2.333 1.267 191 HA LYS 24 HA LYS 24 12.799 -3.768 1.924 192 1HB LYS 24 HB2 LYS 24 10.361 -4.195 0.217 193 2HB LYS 24 HB1 LYS 24 11.686 -5.354 0.114 194 1HG LYS 24 HG2 LYS 24 11.596 -5.595 2.610 195 2HG LYS 24 HG1 LYS 24 10.163 -4.564 2.613 196 1HD LYS 24 HD2 LYS 24 9.611 -6.472 0.654 197 2HD LYS 24 HD1 LYS 24 10.402 -7.392 1.933 198 1HE LYS 24 HE2 LYS 24 8.795 -6.673 3.573 199 2HE LYS 24 HE1 LYS 24 8.115 -5.467 2.463 200 1HZ LYS 24 HZ1 LYS 24 6.728 -7.373 2.332 201 2HZ LYS 24 HZ2 LYS 24 8.053 -8.424 2.177 202 3HZ LYS 24 HZ3 LYS 24 7.655 -7.359 0.912 203 H ALA 25 HN ALA 25 11.654 -2.305 -1.128 204 HA ALA 25 HA ALA 25 13.772 -3.184 -2.831 205 1HB ALA 25 HB1 ALA 25 12.326 -0.524 -2.964 206 2HB ALA 25 HB2 ALA 25 11.528 -2.048 -3.360 207 3HB ALA 25 HB3 ALA 25 12.913 -1.504 -4.308 208 H LYS 26 HN LYS 26 13.508 -0.376 -0.652 209 HA LYS 26 HA LYS 26 15.944 0.935 -1.469 210 1HB LYS 26 HB2 LYS 26 14.184 0.952 0.993 211 2HB LYS 26 HB1 LYS 26 15.615 1.975 0.874 212 1HG LYS 26 HG2 LYS 26 13.894 2.083 -1.510 213 2HG LYS 26 HG1 LYS 26 13.106 2.660 -0.042 214 1HD LYS 26 HD2 LYS 26 14.148 4.620 -0.611 215 2HD LYS 26 HD1 LYS 26 15.502 3.875 0.238 216 1HE LYS 26 HE2 LYS 26 15.984 2.806 -2.156 217 2HE LYS 26 HE1 LYS 26 15.085 4.232 -2.710 218 1HZ LYS 26 HZ1 LYS 26 17.448 4.730 -2.449 219 2HZ LYS 26 HZ2 LYS 26 17.380 4.269 -0.816 220 3HZ LYS 26 HZ3 LYS 26 16.516 5.630 -1.354 221 H LEU 27 HN LEU 27 15.203 -1.467 1.074 222 HA LEU 27 HA LEU 27 18.065 -2.233 1.158 223 1HB LEU 27 HB2 LEU 27 17.629 -0.304 2.753 224 2HB LEU 27 HB1 LEU 27 16.558 -1.382 3.648 225 HG LEU 27 HG LEU 27 18.554 -3.008 3.737 226 1HD1 LEU 27 HD11 LEU 27 19.904 -1.883 2.005 227 2HD1 LEU 27 HD12 LEU 27 20.770 -1.931 3.541 228 3HD1 LEU 27 HD13 LEU 27 19.996 -0.437 3.012 229 1HD2 LEU 27 HD21 LEU 27 18.697 -0.337 5.173 230 2HD2 LEU 27 HD22 LEU 27 19.534 -1.804 5.679 231 3HD2 LEU 27 HD23 LEU 27 17.772 -1.744 5.694 232 H MET 28 HN MET 28 18.102 -4.434 1.212 233 HA MET 28 HA MET 28 16.068 -5.913 2.808 234 1HB MET 28 HB2 MET 28 16.125 -5.596 -0.072 235 2HB MET 28 HB1 MET 28 16.342 -7.294 0.350 236 1HG MET 28 HG2 MET 28 14.175 -5.612 1.615 237 2HG MET 28 HG1 MET 28 13.919 -6.463 0.092 238 1HE MET 28 HE1 MET 28 15.478 -9.252 0.363 239 2HE MET 28 HE2 MET 28 13.951 -8.733 -0.345 240 3HE MET 28 HE3 MET 28 13.976 -10.088 0.781 241 HA PRO 29 HA PRO 29 20.322 -7.660 3.154 242 1HB PRO 29 HB2 PRO 29 20.224 -8.048 5.861 243 2HB PRO 29 HB1 PRO 29 20.723 -6.518 5.117 244 1HG PRO 29 HG2 PRO 29 18.125 -7.268 6.349 245 2HG PRO 29 HG1 PRO 29 18.986 -5.722 6.382 246 1HD PRO 29 HD2 PRO 29 16.836 -6.250 4.763 247 2HD PRO 29 HD1 PRO 29 18.078 -5.029 4.408 248 H GLN 30 HN GLN 30 20.914 -9.819 4.329 249 HA GLN 30 HA GLN 30 18.682 -11.674 4.817 250 1HB GLN 30 HB2 GLN 30 19.467 -13.164 2.904 251 2HB GLN 30 HB1 GLN 30 18.672 -11.672 2.408 252 1HG GLN 30 HG2 GLN 30 20.528 -10.938 1.355 253 2HG GLN 30 HG1 GLN 30 21.537 -11.278 2.760 254 1HE2 GLN 30 HE21 GLN 30 19.740 -13.247 0.300 255 2HE2 GLN 30 HE22 GLN 30 21.014 -14.338 0.044 256 H LEU 31 HN LEU 31 19.372 -13.338 6.142 257 HA LEU 31 HA LEU 31 22.215 -14.124 6.208 258 1HB LEU 31 HB2 LEU 31 22.251 -13.653 8.732 259 2HB LEU 31 HB1 LEU 31 22.348 -12.259 7.672 260 HG LEU 31 HG LEU 31 20.779 -12.087 9.697 261 1HD1 LEU 31 HD11 LEU 31 19.629 -10.470 8.596 262 2HD1 LEU 31 HD12 LEU 31 19.095 -11.568 7.324 263 3HD1 LEU 31 HD13 LEU 31 20.718 -10.876 7.270 264 1HD2 LEU 31 HD21 LEU 31 18.620 -13.101 9.584 265 2HD2 LEU 31 HD22 LEU 31 19.781 -14.395 9.293 266 3HD2 LEU 31 HD23 LEU 31 18.898 -13.682 7.944 Start of MODEL 36 1 1H SER 1 HT1 SER 1 -25.358 3.822 -4.085 2 2H SER 1 HT2 SER 1 -26.735 4.769 -4.393 3 3H SER 1 HT3 SER 1 -25.183 5.430 -4.597 4 HA SER 1 HA SER 1 -26.213 3.142 -6.199 5 1HB SER 1 HB2 SER 1 -26.105 6.119 -6.797 6 2HB SER 1 HB1 SER 1 -26.642 4.869 -7.916 7 HG SER 1 HG SER 1 -28.447 5.696 -6.922 8 H GLY 2 HN GLY 2 -24.600 2.294 -7.498 9 1HA GLY 2 HA2 GLY 2 -22.579 2.251 -8.752 10 2HA GLY 2 HA1 GLY 2 -22.232 3.890 -8.200 11 H SER 3 HN SER 3 -20.019 2.829 -7.901 12 HA SER 3 HA SER 3 -19.774 1.937 -5.075 13 1HB SER 3 HB2 SER 3 -19.994 0.048 -6.935 14 2HB SER 3 HB1 SER 3 -18.294 0.422 -7.203 15 HG SER 3 HG SER 3 -17.812 -0.305 -5.244 16 H TRP 4 HN TRP 4 -18.708 3.987 -4.730 17 HA TRP 4 HA TRP 4 -16.115 4.371 -6.186 18 1HB TRP 4 HB2 TRP 4 -18.231 6.052 -5.876 19 2HB TRP 4 HB1 TRP 4 -17.260 6.509 -4.476 20 HD1 TRP 4 HD1 TRP 4 -17.233 6.494 -8.280 21 HE1 TRP 4 HE1 TRP 4 -15.284 7.959 -9.110 22 HE3 TRP 4 HE3 TRP 4 -14.880 7.426 -3.846 23 HZ2 TRP 4 HZ2 TRP 4 -13.023 9.346 -8.036 24 HZ3 TRP 4 HZ3 TRP 4 -12.832 8.821 -3.777 25 HH2 TRP 4 HH2 TRP 4 -11.902 9.781 -5.865 26 H LEU 5 HN LEU 5 -17.581 4.151 -2.953 27 HA LEU 5 HA LEU 5 -15.073 4.719 -1.547 28 1HB LEU 5 HB2 LEU 5 -17.550 5.100 -0.841 29 2HB LEU 5 HB1 LEU 5 -17.536 3.389 -0.416 30 HG LEU 5 HG LEU 5 -15.336 3.995 0.874 31 1HD1 LEU 5 HD11 LEU 5 -15.385 6.323 1.745 32 2HD1 LEU 5 HD12 LEU 5 -16.718 6.688 0.648 33 3HD1 LEU 5 HD13 LEU 5 -15.129 6.278 0.001 34 1HD2 LEU 5 HD21 LEU 5 -17.285 3.243 2.060 35 2HD2 LEU 5 HD22 LEU 5 -18.140 4.753 1.739 36 3HD2 LEU 5 HD23 LEU 5 -16.769 4.734 2.849 37 H ARG 6 HN ARG 6 -16.887 1.825 -2.528 38 HA ARG 6 HA ARG 6 -15.628 -0.180 -0.999 39 1HB ARG 6 HB2 ARG 6 -17.498 -0.070 -2.941 40 2HB ARG 6 HB1 ARG 6 -16.144 -0.675 -3.896 41 1HG ARG 6 HG2 ARG 6 -16.978 -2.685 -3.130 42 2HG ARG 6 HG1 ARG 6 -15.879 -2.312 -1.803 43 1HD ARG 6 HD2 ARG 6 -18.072 -2.955 -0.889 44 2HD ARG 6 HD1 ARG 6 -17.803 -1.226 -0.588 45 HE ARG 6 HE ARG 6 -19.435 -0.710 -2.260 46 1HH1 ARG 6 HH11 ARG 6 -20.512 -3.406 -1.102 47 2HH1 ARG 6 HH12 ARG 6 -21.001 -4.186 -2.569 48 1HH2 ARG 6 HH21 ARG 6 -19.263 -1.979 -4.623 49 2HH2 ARG 6 HH22 ARG 6 -20.289 -3.376 -4.571 50 H ASP 7 HN ASP 7 -14.601 1.073 -4.208 51 HA ASP 7 HA ASP 7 -12.239 -0.495 -4.483 52 1HB ASP 7 HB2 ASP 7 -13.258 0.759 -6.308 53 2HB ASP 7 HB1 ASP 7 -12.982 2.281 -5.462 54 H ILE 8 HN ILE 8 -12.729 2.715 -2.969 55 HA ILE 8 HA ILE 8 -10.015 3.342 -2.391 56 HB ILE 8 HB ILE 8 -12.627 3.940 -0.958 57 1HG1 ILE 8 HG12 ILE 8 -10.896 5.701 -2.722 58 2HG1 ILE 8 HG11 ILE 8 -12.270 4.775 -3.326 59 1HG2 ILE 8 HG21 ILE 8 -9.812 4.894 -0.443 60 2HG2 ILE 8 HG22 ILE 8 -11.020 4.345 0.718 61 3HG2 ILE 8 HG23 ILE 8 -11.194 5.919 -0.057 62 1HD1 ILE 8 HD11 ILE 8 -13.692 6.368 -2.621 63 2HD1 ILE 8 HD12 ILE 8 -12.314 7.336 -2.095 64 3HD1 ILE 8 HD13 ILE 8 -13.082 6.214 -0.972 65 H TRP 9 HN TRP 9 -12.411 1.494 -0.467 66 HA TRP 9 HA TRP 9 -10.796 0.995 1.828 67 1HB TRP 9 HB2 TRP 9 -13.273 0.586 1.486 68 2HB TRP 9 HB1 TRP 9 -12.845 -0.840 0.539 69 HD1 TRP 9 HD1 TRP 9 -13.203 -2.892 1.989 70 HE1 TRP 9 HE1 TRP 9 -12.643 -3.563 4.414 71 HE3 TRP 9 HE3 TRP 9 -11.238 1.505 3.692 72 HZ2 TRP 9 HZ2 TRP 9 -11.512 -2.390 6.766 73 HZ3 TRP 9 HZ3 TRP 9 -10.428 1.700 6.024 74 HH2 TRP 9 HH2 TRP 9 -10.563 -0.240 7.563 75 H ASP 10 HN ASP 10 -11.121 -0.811 -1.235 76 HA ASP 10 HA ASP 10 -9.307 -2.951 -0.524 77 1HB ASP 10 HB2 ASP 10 -11.119 -2.477 -2.488 78 2HB ASP 10 HB1 ASP 10 -9.636 -2.082 -3.357 79 H TRP 11 HN TRP 11 -8.927 0.097 -2.360 80 HA TRP 11 HA TRP 11 -6.198 -0.145 -3.097 81 1HB TRP 11 HB2 TRP 11 -7.712 1.576 -3.945 82 2HB TRP 11 HB1 TRP 11 -7.900 2.254 -2.329 83 HD1 TRP 11 HD1 TRP 11 -5.328 1.890 -5.145 84 HE1 TRP 11 HE1 TRP 11 -3.486 3.661 -4.810 85 HE3 TRP 11 HE3 TRP 11 -6.731 3.778 -0.613 86 HZ2 TRP 11 HZ2 TRP 11 -2.712 5.624 -2.878 87 HZ3 TRP 11 HZ3 TRP 11 -5.425 5.596 0.451 88 HH2 TRP 11 HH2 TRP 11 -3.419 6.520 -0.675 89 H ILE 12 HN ILE 12 -7.650 1.115 -0.075 90 HA ILE 12 HA ILE 12 -5.262 2.016 1.197 91 HB ILE 12 HB ILE 12 -7.903 0.880 2.164 92 1HG1 ILE 12 HG12 ILE 12 -6.823 3.685 2.470 93 2HG1 ILE 12 HG11 ILE 12 -7.628 3.173 0.988 94 1HG2 ILE 12 HG21 ILE 12 -7.105 2.070 4.377 95 2HG2 ILE 12 HG22 ILE 12 -5.493 1.746 3.739 96 3HG2 ILE 12 HG23 ILE 12 -6.604 0.412 4.047 97 1HD1 ILE 12 HD11 ILE 12 -9.521 2.337 2.550 98 2HD1 ILE 12 HD12 ILE 12 -9.382 4.074 2.284 99 3HD1 ILE 12 HD13 ILE 12 -8.766 3.359 3.773 100 H CYS 13 HN CYS 13 -6.725 -1.219 0.968 101 HA CYS 13 HA CYS 13 -4.892 -2.537 2.787 102 1HB CYS 13 HB2 CYS 13 -7.223 -3.240 1.962 103 2HB CYS 13 HB1 CYS 13 -6.427 -3.751 0.474 104 HG CYS 13 HG CYS 13 -6.570 -5.483 2.800 105 H GLU 14 HN GLU 14 -4.945 -2.007 -0.747 106 HA GLU 14 HA GLU 14 -2.693 -3.675 -1.387 107 1HB GLU 14 HB2 GLU 14 -4.374 -1.572 -2.621 108 2HB GLU 14 HB1 GLU 14 -2.766 -1.743 -3.315 109 1HG GLU 14 HG2 GLU 14 -4.312 -4.244 -2.801 110 2HG GLU 14 HG1 GLU 14 -4.820 -3.237 -4.156 111 H VAL 15 HN VAL 15 -2.985 -0.218 -0.607 112 HA VAL 15 HA VAL 15 -0.201 0.450 -0.993 113 HB VAL 15 HB VAL 15 -2.405 1.688 0.699 114 1HG1 VAL 15 HG11 VAL 15 -0.841 3.770 0.127 115 2HG1 VAL 15 HG12 VAL 15 0.402 2.520 0.077 116 3HG1 VAL 15 HG13 VAL 15 -0.541 2.768 1.547 117 1HG2 VAL 15 HG21 VAL 15 -1.793 1.640 -2.166 118 2HG2 VAL 15 HG22 VAL 15 -1.902 3.281 -1.527 119 3HG2 VAL 15 HG23 VAL 15 -3.260 2.172 -1.343 120 H LEU 16 HN LEU 16 -2.082 -0.659 1.829 121 HA LEU 16 HA LEU 16 -0.142 -0.285 3.871 122 1HB LEU 16 HB2 LEU 16 -2.602 -0.992 3.998 123 2HB LEU 16 HB1 LEU 16 -2.056 -2.622 3.605 124 HG LEU 16 HG LEU 16 -0.370 -2.230 5.588 125 1HD1 LEU 16 HD11 LEU 16 -1.227 -0.753 7.320 126 2HD1 LEU 16 HD12 LEU 16 -2.637 -0.357 6.335 127 3HD1 LEU 16 HD13 LEU 16 -1.031 0.176 5.834 128 1HD2 LEU 16 HD21 LEU 16 -3.340 -2.739 5.942 129 2HD2 LEU 16 HD22 LEU 16 -2.126 -3.083 7.173 130 3HD2 LEU 16 HD23 LEU 16 -2.092 -3.947 5.637 131 H SER 17 HN SER 17 -0.664 -3.091 1.698 132 HA SER 17 HA SER 17 1.605 -4.593 2.756 133 1HB SER 17 HB2 SER 17 -0.622 -5.236 1.401 134 2HB SER 17 HB1 SER 17 0.466 -5.056 0.027 135 HG SER 17 HG SER 17 1.207 -6.946 0.545 136 H ASP 18 HN ASP 18 1.025 -2.421 0.007 137 HA ASP 18 HA ASP 18 3.506 -2.829 -1.376 138 1HB ASP 18 HB2 ASP 18 1.655 -1.754 -2.460 139 2HB ASP 18 HB1 ASP 18 1.510 -0.558 -1.173 140 H PHE 19 HN PHE 19 2.576 -0.628 1.274 141 HA PHE 19 HA PHE 19 4.712 1.146 1.404 142 1HB PHE 19 HB2 PHE 19 2.663 0.128 3.085 143 2HB PHE 19 HB1 PHE 19 4.149 0.081 4.026 144 HD1 PHE 19 HD1 PHE 19 2.210 2.335 1.745 145 HD2 PHE 19 HD2 PHE 19 4.933 2.037 5.056 146 HE1 PHE 19 HE1 PHE 19 2.079 4.789 2.075 147 HE2 PHE 19 HE2 PHE 19 4.801 4.492 5.384 148 HZ PHE 19 HZ PHE 19 3.374 5.867 3.893 149 H LYS 20 HN LYS 20 4.702 -2.233 2.574 150 HA LYS 20 HA LYS 20 7.359 -2.191 3.695 151 1HB LYS 20 HB2 LYS 20 5.439 -3.826 4.085 152 2HB LYS 20 HB1 LYS 20 5.853 -4.549 2.531 153 1HG LYS 20 HG2 LYS 20 7.976 -5.254 3.289 154 2HG LYS 20 HG1 LYS 20 7.944 -4.156 4.669 155 1HD LYS 20 HD2 LYS 20 5.657 -5.789 4.940 156 2HD LYS 20 HD1 LYS 20 6.972 -6.876 4.494 157 1HE LYS 20 HE2 LYS 20 7.278 -4.799 6.684 158 2HE LYS 20 HE1 LYS 20 6.715 -6.451 7.005 159 1HZ LYS 20 HZ1 LYS 20 9.094 -6.407 7.201 160 2HZ LYS 20 HZ2 LYS 20 9.261 -5.664 5.683 161 3HZ LYS 20 HZ3 LYS 20 8.697 -7.264 5.792 162 H THR 21 HN THR 21 6.122 -3.306 0.505 163 HA THR 21 HA THR 21 8.780 -3.980 -0.492 164 HB THR 21 HB THR 21 7.419 -4.073 -2.685 165 HG1 THR 21 HG1 THR 21 5.710 -2.811 -2.350 166 1HG2 THR 21 HG21 THR 21 6.681 -5.642 -0.212 167 2HG2 THR 21 HG22 THR 21 7.791 -6.106 -1.502 168 3HG2 THR 21 HG23 THR 21 6.055 -6.048 -1.809 169 H TRP 22 HN TRP 22 6.653 -1.149 -0.699 170 HA TRP 22 HA TRP 22 7.935 0.329 -2.751 171 1HB TRP 22 HB2 TRP 22 5.804 0.716 -1.247 172 2HB TRP 22 HB1 TRP 22 6.923 1.589 -0.208 173 HD1 TRP 22 HD1 TRP 22 5.490 1.643 -3.767 174 HE1 TRP 22 HE1 TRP 22 5.778 4.019 -4.726 175 HE3 TRP 22 HE3 TRP 22 8.233 3.776 -0.025 176 HZ2 TRP 22 HZ2 TRP 22 7.010 6.499 -4.000 177 HZ3 TRP 22 HZ3 TRP 22 8.948 6.143 -0.183 178 HH2 TRP 22 HH2 TRP 22 8.340 7.506 -2.164 179 H LEU 23 HN LEU 23 8.560 0.367 0.771 180 HA LEU 23 HA LEU 23 10.814 2.149 0.686 181 1HB LEU 23 HB2 LEU 23 9.483 0.288 2.571 182 2HB LEU 23 HB1 LEU 23 11.187 0.588 2.911 183 HG LEU 23 HG LEU 23 10.549 3.104 2.543 184 1HD1 LEU 23 HD11 LEU 23 8.271 3.677 2.980 185 2HD1 LEU 23 HD12 LEU 23 7.866 2.021 3.429 186 3HD1 LEU 23 HD13 LEU 23 8.217 2.418 1.747 187 1HD2 LEU 23 HD21 LEU 23 10.101 3.324 4.917 188 2HD2 LEU 23 HD22 LEU 23 11.238 1.994 4.699 189 3HD2 LEU 23 HD23 LEU 23 9.535 1.656 5.009 190 H LYS 24 HN LYS 24 10.578 -1.423 0.568 191 HA LYS 24 HA LYS 24 13.405 -1.965 0.607 192 1HB LYS 24 HB2 LYS 24 10.910 -3.383 -0.331 193 2HB LYS 24 HB1 LYS 24 12.496 -4.113 -0.579 194 1HG LYS 24 HG2 LYS 24 12.938 -4.214 1.752 195 2HG LYS 24 HG1 LYS 24 11.623 -3.102 2.130 196 1HD LYS 24 HD2 LYS 24 10.652 -5.151 2.668 197 2HD LYS 24 HD1 LYS 24 10.122 -4.945 0.998 198 1HE LYS 24 HE2 LYS 24 12.690 -6.176 0.888 199 2HE LYS 24 HE1 LYS 24 11.736 -7.061 2.094 200 1HZ LYS 24 HZ1 LYS 24 11.277 -7.889 -0.134 201 2HZ LYS 24 HZ2 LYS 24 10.828 -6.332 -0.645 202 3HZ LYS 24 HZ3 LYS 24 9.896 -7.151 0.517 203 H ALA 25 HN ALA 25 11.096 -1.364 -2.043 204 HA ALA 25 HA ALA 25 13.019 -1.812 -4.181 205 1HB ALA 25 HB1 ALA 25 10.277 -0.572 -3.908 206 2HB ALA 25 HB2 ALA 25 10.713 -2.101 -4.671 207 3HB ALA 25 HB3 ALA 25 11.128 -0.575 -5.453 208 H LYS 26 HN LYS 26 12.004 0.985 -2.263 209 HA LYS 26 HA LYS 26 13.147 3.023 -3.965 210 1HB LYS 26 HB2 LYS 26 11.391 3.377 -2.248 211 2HB LYS 26 HB1 LYS 26 12.557 2.974 -0.986 212 1HG LYS 26 HG2 LYS 26 13.653 4.978 -1.166 213 2HG LYS 26 HG1 LYS 26 13.387 5.084 -2.906 214 1HD LYS 26 HD2 LYS 26 10.879 5.222 -1.424 215 2HD LYS 26 HD1 LYS 26 11.996 6.498 -0.938 216 1HE LYS 26 HE2 LYS 26 11.574 5.927 -3.870 217 2HE LYS 26 HE1 LYS 26 10.423 6.945 -2.985 218 1HZ LYS 26 HZ1 LYS 26 12.241 8.315 -2.215 219 2HZ LYS 26 HZ2 LYS 26 12.271 8.247 -3.912 220 3HZ LYS 26 HZ3 LYS 26 13.374 7.327 -3.003 221 H LEU 27 HN LEU 27 14.376 1.274 -1.083 222 HA LEU 27 HA LEU 27 17.144 2.059 -1.895 223 1HB LEU 27 HB2 LEU 27 15.701 3.288 0.117 224 2HB LEU 27 HB1 LEU 27 16.628 2.077 1.000 225 HG LEU 27 HG LEU 27 18.025 3.736 -1.071 226 1HD1 LEU 27 HD11 LEU 27 16.872 5.433 0.207 227 2HD1 LEU 27 HD12 LEU 27 18.545 5.391 0.764 228 3HD1 LEU 27 HD13 LEU 27 17.275 4.634 1.726 229 1HD2 LEU 27 HD21 LEU 27 19.857 3.470 0.686 230 2HD2 LEU 27 HD22 LEU 27 19.315 1.974 -0.073 231 3HD2 LEU 27 HD23 LEU 27 18.756 2.393 1.545 232 H MET 28 HN MET 28 18.575 0.377 -1.679 233 HA MET 28 HA MET 28 18.328 -1.730 0.291 234 1HB MET 28 HB2 MET 28 16.474 -2.400 -1.111 235 2HB MET 28 HB1 MET 28 17.453 -2.262 -2.565 236 1HG MET 28 HG2 MET 28 18.883 -3.999 -0.870 237 2HG MET 28 HG1 MET 28 17.197 -4.501 -0.744 238 1HE MET 28 HE1 MET 28 20.386 -4.993 -2.630 239 2HE MET 28 HE2 MET 28 19.716 -6.379 -3.488 240 3HE MET 28 HE3 MET 28 19.469 -6.225 -1.750 241 HA PRO 29 HA PRO 29 21.952 -2.858 -2.637 242 1HB PRO 29 HB2 PRO 29 22.310 -1.409 -4.931 243 2HB PRO 29 HB1 PRO 29 21.327 -2.882 -4.856 244 1HG PRO 29 HG2 PRO 29 20.470 -0.032 -4.834 245 2HG PRO 29 HG1 PRO 29 19.738 -1.422 -5.650 246 1HD PRO 29 HD2 PRO 29 18.767 -0.376 -3.342 247 2HD PRO 29 HD1 PRO 29 18.601 -2.089 -3.781 248 H GLN 30 HN GLN 30 24.053 -1.564 -3.511 249 HA GLN 30 HA GLN 30 24.735 0.370 -1.447 250 1HB GLN 30 HB2 GLN 30 26.013 -1.055 -3.722 251 2HB GLN 30 HB1 GLN 30 26.773 0.464 -3.248 252 1HG GLN 30 HG2 GLN 30 27.279 -0.303 -1.099 253 2HG GLN 30 HG1 GLN 30 26.021 -1.538 -1.136 254 1HE2 GLN 30 HE21 GLN 30 29.168 -0.705 -2.687 255 2HE2 GLN 30 HE22 GLN 30 29.618 -2.316 -2.974 256 H LEU 31 HN LEU 31 23.733 0.598 -4.833 257 HA LEU 31 HA LEU 31 24.050 3.580 -4.696 258 1HB LEU 31 HB2 LEU 31 24.158 1.554 -6.942 259 2HB LEU 31 HB1 LEU 31 24.007 3.284 -7.252 260 HG LEU 31 HG LEU 31 26.071 3.119 -5.382 261 1HD1 LEU 31 HD11 LEU 31 26.498 1.009 -7.516 262 2HD1 LEU 31 HD12 LEU 31 26.078 0.638 -5.844 263 3HD1 LEU 31 HD13 LEU 31 27.602 1.445 -6.212 264 1HD2 LEU 31 HD21 LEU 31 27.467 3.851 -7.244 265 2HD2 LEU 31 HD22 LEU 31 25.875 4.592 -7.399 266 3HD2 LEU 31 HD23 LEU 31 26.307 3.212 -8.407 Start of MODEL 37 1 1H SER 1 HT1 SER 1 -26.456 9.379 2.584 2 2H SER 1 HT2 SER 1 -25.898 9.973 1.092 3 3H SER 1 HT3 SER 1 -24.792 9.414 2.255 4 HA SER 1 HA SER 1 -25.684 7.153 2.034 5 1HB SER 1 HB2 SER 1 -27.301 6.906 0.059 6 2HB SER 1 HB1 SER 1 -27.948 7.711 1.486 7 HG SER 1 HG SER 1 -28.180 8.698 -0.759 8 H GLY 2 HN GLY 2 -24.909 5.730 0.242 9 1HA GLY 2 HA2 GLY 2 -23.562 5.228 -1.635 10 2HA GLY 2 HA1 GLY 2 -23.590 6.939 -2.066 11 H SER 3 HN SER 3 -22.194 4.742 0.394 12 HA SER 3 HA SER 3 -20.052 6.629 1.050 13 1HB SER 3 HB2 SER 3 -19.280 4.589 2.387 14 2HB SER 3 HB1 SER 3 -20.889 5.187 2.772 15 HG SER 3 HG SER 3 -21.129 3.028 2.488 16 H TRP 4 HN TRP 4 -18.414 6.946 -0.415 17 HA TRP 4 HA TRP 4 -17.681 4.898 -2.385 18 1HB TRP 4 HB2 TRP 4 -17.593 7.655 -2.200 19 2HB TRP 4 HB1 TRP 4 -15.898 7.208 -2.004 20 HD1 TRP 4 HD1 TRP 4 -18.772 7.082 -4.496 21 HE1 TRP 4 HE1 TRP 4 -17.843 6.447 -6.815 22 HE3 TRP 4 HE3 TRP 4 -13.959 5.938 -3.239 23 HZ2 TRP 4 HZ2 TRP 4 -15.383 5.572 -7.983 24 HZ3 TRP 4 HZ3 TRP 4 -12.345 5.207 -4.970 25 HH2 TRP 4 HH2 TRP 4 -13.050 5.023 -7.339 26 H LEU 5 HN LEU 5 -16.931 5.174 0.862 27 HA LEU 5 HA LEU 5 -14.087 4.761 0.915 28 1HB LEU 5 HB2 LEU 5 -15.444 5.471 2.841 29 2HB LEU 5 HB1 LEU 5 -16.310 3.935 2.815 30 HG LEU 5 HG LEU 5 -14.226 2.726 3.301 31 1HD1 LEU 5 HD11 LEU 5 -12.511 3.991 2.293 32 2HD1 LEU 5 HD12 LEU 5 -12.244 4.250 4.016 33 3HD1 LEU 5 HD13 LEU 5 -13.045 5.491 3.051 34 1HD2 LEU 5 HD21 LEU 5 -15.556 3.519 5.203 35 2HD2 LEU 5 HD22 LEU 5 -14.728 5.075 5.156 36 3HD2 LEU 5 HD23 LEU 5 -13.839 3.617 5.593 37 H ARG 6 HN ARG 6 -16.768 2.617 0.177 38 HA ARG 6 HA ARG 6 -15.622 0.085 0.798 39 1HB ARG 6 HB2 ARG 6 -17.887 1.175 -0.522 40 2HB ARG 6 HB1 ARG 6 -17.147 0.048 -1.659 41 1HG ARG 6 HG2 ARG 6 -18.148 -1.615 -0.512 42 2HG ARG 6 HG1 ARG 6 -17.031 -1.271 0.809 43 1HD ARG 6 HD2 ARG 6 -18.971 -0.900 1.989 44 2HD ARG 6 HD1 ARG 6 -18.905 0.690 1.204 45 HE ARG 6 HE ARG 6 -20.122 -1.065 -0.646 46 1HH1 ARG 6 HH21 ARG 6 -21.331 1.483 0.536 47 2HH1 ARG 6 HH22 ARG 6 -22.767 0.856 1.276 48 1HH2 ARG 6 HH11 ARG 6 -21.694 -2.450 1.172 49 2HH2 ARG 6 HH12 ARG 6 -22.971 -1.379 1.640 50 H ASP 7 HN ASP 7 -15.348 2.090 -2.155 51 HA ASP 7 HA ASP 7 -13.574 0.170 -3.491 52 1HB ASP 7 HB2 ASP 7 -15.263 1.756 -4.557 53 2HB ASP 7 HB1 ASP 7 -14.149 3.069 -4.172 54 H ILE 8 HN ILE 8 -13.210 2.995 -1.423 55 HA ILE 8 HA ILE 8 -10.407 3.489 -2.116 56 HB ILE 8 HB ILE 8 -12.284 4.413 0.082 57 1HG1 ILE 8 HG12 ILE 8 -11.076 6.045 -2.152 58 2HG1 ILE 8 HG11 ILE 8 -12.543 5.100 -2.410 59 1HG2 ILE 8 HG21 ILE 8 -9.382 5.047 -0.435 60 2HG2 ILE 8 HG22 ILE 8 -10.175 4.678 1.096 61 3HG2 ILE 8 HG23 ILE 8 -10.441 6.239 0.319 62 1HD1 ILE 8 HD11 ILE 8 -12.906 6.479 0.037 63 2HD1 ILE 8 HD12 ILE 8 -13.734 6.773 -1.491 64 3HD1 ILE 8 HD13 ILE 8 -12.256 7.653 -1.106 65 H TRP 9 HN TRP 9 -12.133 1.922 0.607 66 HA TRP 9 HA TRP 9 -9.936 1.380 2.298 67 1HB TRP 9 HB2 TRP 9 -12.538 1.010 2.480 68 2HB TRP 9 HB1 TRP 9 -12.157 -0.604 1.879 69 HD1 TRP 9 HD1 TRP 9 -12.031 -2.195 3.852 70 HE1 TRP 9 HE1 TRP 9 -10.996 -2.136 6.211 71 HE3 TRP 9 HE3 TRP 9 -10.272 2.601 3.929 72 HZ2 TRP 9 HZ2 TRP 9 -9.609 -0.301 7.909 73 HZ3 TRP 9 HZ3 TRP 9 -9.100 3.476 5.928 74 HH2 TRP 9 HH2 TRP 9 -8.767 2.033 7.917 75 H ASP 10 HN ASP 10 -11.298 -0.783 -0.242 76 HA ASP 10 HA ASP 10 -9.365 -2.868 0.026 77 1HB ASP 10 HB2 ASP 10 -11.638 -2.425 -1.415 78 2HB ASP 10 HB1 ASP 10 -10.421 -2.251 -2.680 79 H TRP 11 HN TRP 11 -9.366 0.062 -2.022 80 HA TRP 11 HA TRP 11 -6.979 -0.454 -3.498 81 1HB TRP 11 HB2 TRP 11 -8.644 1.314 -3.983 82 2HB TRP 11 HB1 TRP 11 -8.201 2.145 -2.493 83 HD1 TRP 11 HD1 TRP 11 -6.966 1.432 -6.020 84 HE1 TRP 11 HE1 TRP 11 -4.957 2.965 -6.530 85 HE3 TRP 11 HE3 TRP 11 -6.199 3.451 -1.392 86 HZ2 TRP 11 HZ2 TRP 11 -3.249 4.803 -5.155 87 HZ3 TRP 11 HZ3 TRP 11 -4.376 5.087 -1.021 88 HH2 TRP 11 HH2 TRP 11 -2.902 5.766 -2.894 89 H ILE 12 HN ILE 12 -7.465 1.154 -0.336 90 HA ILE 12 HA ILE 12 -4.741 1.899 0.139 91 HB ILE 12 HB ILE 12 -7.065 1.171 1.957 92 1HG1 ILE 12 HG12 ILE 12 -5.925 3.919 1.485 93 2HG1 ILE 12 HG11 ILE 12 -7.050 3.221 0.320 94 1HG2 ILE 12 HG21 ILE 12 -5.180 0.921 3.367 95 2HG2 ILE 12 HG22 ILE 12 -5.690 2.588 3.634 96 3HG2 ILE 12 HG23 ILE 12 -4.314 2.244 2.587 97 1HD1 ILE 12 HD11 ILE 12 -7.615 3.435 3.290 98 2HD1 ILE 12 HD12 ILE 12 -8.744 2.945 2.027 99 3HD1 ILE 12 HD13 ILE 12 -8.167 4.609 2.096 100 H CYS 13 HN CYS 13 -6.534 -1.116 0.764 101 HA CYS 13 HA CYS 13 -4.464 -2.472 2.242 102 1HB CYS 13 HB2 CYS 13 -6.972 -2.984 1.998 103 2HB CYS 13 HB1 CYS 13 -6.563 -3.711 0.443 104 HG CYS 13 HG CYS 13 -4.980 -5.391 1.757 105 H GLU 14 HN GLU 14 -5.261 -2.289 -1.238 106 HA GLU 14 HA GLU 14 -3.349 -4.230 -2.148 107 1HB GLU 14 HB2 GLU 14 -5.212 -2.259 -3.189 108 2HB GLU 14 HB1 GLU 14 -3.721 -2.261 -4.128 109 1HG GLU 14 HG2 GLU 14 -4.833 -3.962 -5.218 110 2HG GLU 14 HG1 GLU 14 -4.054 -4.908 -3.949 111 H VAL 15 HN VAL 15 -3.161 -0.721 -1.652 112 HA VAL 15 HA VAL 15 -0.477 -0.385 -2.684 113 HB VAL 15 HB VAL 15 -2.177 1.222 -0.740 114 1HG1 VAL 15 HG11 VAL 15 -0.077 2.142 -0.378 115 2HG1 VAL 15 HG12 VAL 15 -0.594 3.081 -1.778 116 3HG1 VAL 15 HG13 VAL 15 0.504 1.717 -1.988 117 1HG2 VAL 15 HG21 VAL 15 -3.225 2.094 -2.555 118 2HG2 VAL 15 HG22 VAL 15 -2.579 0.710 -3.436 119 3HG2 VAL 15 HG23 VAL 15 -1.715 2.247 -3.454 120 H LEU 16 HN LEU 16 -1.823 -1.184 0.496 121 HA LEU 16 HA LEU 16 0.431 -0.762 2.162 122 1HB LEU 16 HB2 LEU 16 -2.000 -1.422 2.691 123 2HB LEU 16 HB1 LEU 16 -1.509 -3.082 2.349 124 HG LEU 16 HG LEU 16 0.369 -1.732 4.135 125 1HD1 LEU 16 HD11 LEU 16 -1.261 -1.872 6.100 126 2HD1 LEU 16 HD12 LEU 16 -2.553 -1.926 4.901 127 3HD1 LEU 16 HD13 LEU 16 -1.500 -0.514 4.999 128 1HD2 LEU 16 HD21 LEU 16 0.098 -4.217 3.630 129 2HD2 LEU 16 HD22 LEU 16 -1.372 -4.168 4.605 130 3HD2 LEU 16 HD23 LEU 16 0.188 -3.801 5.342 131 H SER 17 HN SER 17 -0.405 -3.565 0.105 132 HA SER 17 HA SER 17 1.694 -5.323 0.946 133 1HB SER 17 HB2 SER 17 -0.368 -5.791 -0.485 134 2HB SER 17 HB1 SER 17 0.498 -5.054 -1.830 135 HG SER 17 HG SER 17 1.054 -7.420 -0.402 136 H ASP 18 HN ASP 18 1.563 -2.886 -1.673 137 HA ASP 18 HA ASP 18 4.298 -3.335 -2.555 138 1HB ASP 18 HB2 ASP 18 2.730 -2.405 -4.104 139 2HB ASP 18 HB1 ASP 18 2.197 -1.185 -2.948 140 H PHE 19 HN PHE 19 2.712 -0.848 -0.513 141 HA PHE 19 HA PHE 19 4.840 0.863 0.049 142 1HB PHE 19 HB2 PHE 19 2.290 0.220 1.082 143 2HB PHE 19 HB1 PHE 19 3.383 0.197 2.461 144 HD1 PHE 19 HD1 PHE 19 3.571 2.218 3.596 145 HD2 PHE 19 HD2 PHE 19 2.959 2.259 -0.657 146 HE1 PHE 19 HE1 PHE 19 3.607 4.698 3.613 147 HE2 PHE 19 HE2 PHE 19 2.997 4.739 -0.638 148 HZ PHE 19 HZ PHE 19 3.321 5.958 1.497 149 H LYS 20 HN LYS 20 4.234 -2.352 1.461 150 HA LYS 20 HA LYS 20 6.230 -2.318 3.498 151 1HB LYS 20 HB2 LYS 20 4.314 -3.987 2.900 152 2HB LYS 20 HB1 LYS 20 5.510 -4.740 1.845 153 1HG LYS 20 HG2 LYS 20 6.444 -5.781 3.604 154 2HG LYS 20 HG1 LYS 20 6.733 -4.229 4.391 155 1HD LYS 20 HD2 LYS 20 3.923 -4.953 4.535 156 2HD LYS 20 HD1 LYS 20 4.935 -6.223 5.221 157 1HE LYS 20 HE2 LYS 20 4.654 -4.817 7.077 158 2HE LYS 20 HE1 LYS 20 6.157 -4.170 6.393 159 1HZ LYS 20 HZ1 LYS 20 4.430 -2.447 6.805 160 2HZ LYS 20 HZ2 LYS 20 3.443 -3.207 5.651 161 3HZ LYS 20 HZ3 LYS 20 4.930 -2.531 5.187 162 H THR 21 HN THR 21 6.453 -3.408 0.072 163 HA THR 21 HA THR 21 9.369 -3.818 0.364 164 HB THR 21 HB THR 21 7.785 -5.311 -0.943 165 HG1 THR 21 HG1 THR 21 9.525 -5.828 -1.959 166 1HG2 THR 21 HG21 THR 21 7.240 -4.529 -3.265 167 2HG2 THR 21 HG22 THR 21 7.772 -2.915 -2.798 168 3HG2 THR 21 HG23 THR 21 6.379 -3.649 -2.004 169 H TRP 22 HN TRP 22 7.134 -1.454 -1.020 170 HA TRP 22 HA TRP 22 8.928 0.050 -2.655 171 1HB TRP 22 HB2 TRP 22 6.349 0.154 -2.265 172 2HB TRP 22 HB1 TRP 22 6.743 1.222 -0.922 173 HD1 TRP 22 HD1 TRP 22 6.442 1.128 -4.658 174 HE1 TRP 22 HE1 TRP 22 6.987 3.454 -5.631 175 HE3 TRP 22 HE3 TRP 22 8.327 3.407 -0.495 176 HZ2 TRP 22 HZ2 TRP 22 8.080 5.950 -4.757 177 HZ3 TRP 22 HZ3 TRP 22 9.112 5.756 -0.593 178 HH2 TRP 22 HH2 TRP 22 8.990 7.029 -2.717 179 H LEU 23 HN LEU 23 7.990 0.486 0.761 180 HA LEU 23 HA LEU 23 9.826 2.627 1.340 181 1HB LEU 23 HB2 LEU 23 8.126 0.665 2.831 182 2HB LEU 23 HB1 LEU 23 9.369 1.519 3.744 183 HG LEU 23 HG LEU 23 7.449 2.989 1.933 184 1HD1 LEU 23 HD11 LEU 23 6.100 3.459 3.959 185 2HD1 LEU 23 HD12 LEU 23 7.116 2.352 4.883 186 3HD1 LEU 23 HD13 LEU 23 6.107 1.738 3.572 187 1HD2 LEU 23 HD21 LEU 23 8.090 4.895 3.306 188 2HD2 LEU 23 HD22 LEU 23 9.556 4.099 2.733 189 3HD2 LEU 23 HD23 LEU 23 9.008 3.852 4.391 190 H LYS 24 HN LYS 24 10.062 -0.927 1.663 191 HA LYS 24 HA LYS 24 12.584 -1.035 3.014 192 1HB LYS 24 HB2 LYS 24 10.807 -2.847 2.540 193 2HB LYS 24 HB1 LYS 24 11.566 -3.008 0.958 194 1HG LYS 24 HG2 LYS 24 12.822 -4.565 2.094 195 2HG LYS 24 HG1 LYS 24 13.777 -3.133 2.474 196 1HD LYS 24 HD2 LYS 24 11.878 -3.035 4.441 197 2HD LYS 24 HD1 LYS 24 12.064 -4.776 4.235 198 1HE LYS 24 HE2 LYS 24 14.475 -2.963 4.510 199 2HE LYS 24 HE1 LYS 24 13.655 -3.646 5.927 200 1HZ LYS 24 HZ1 LYS 24 14.733 -5.180 3.616 201 2HZ LYS 24 HZ2 LYS 24 13.860 -5.853 4.909 202 3HZ LYS 24 HZ3 LYS 24 15.382 -5.149 5.183 203 H ALA 25 HN ALA 25 11.781 -1.060 -0.476 204 HA ALA 25 HA ALA 25 14.510 -1.269 -1.407 205 1HB ALA 25 HB1 ALA 25 12.350 -1.779 -2.643 206 2HB ALA 25 HB2 ALA 25 13.497 -0.798 -3.555 207 3HB ALA 25 HB3 ALA 25 12.103 -0.038 -2.786 208 H LYS 26 HN LYS 26 12.348 1.478 -0.713 209 HA LYS 26 HA LYS 26 14.403 3.438 -1.554 210 1HB LYS 26 HB2 LYS 26 11.514 3.367 -0.852 211 2HB LYS 26 HB1 LYS 26 12.357 4.867 -0.473 212 1HG LYS 26 HG2 LYS 26 11.909 5.387 -2.645 213 2HG LYS 26 HG1 LYS 26 13.314 4.376 -2.980 214 1HD LYS 26 HD2 LYS 26 11.917 2.450 -3.399 215 2HD LYS 26 HD1 LYS 26 10.481 3.308 -2.838 216 1HE LYS 26 HE2 LYS 26 10.562 4.831 -4.724 217 2HE LYS 26 HE1 LYS 26 12.133 4.184 -5.235 218 1HZ LYS 26 HZ1 LYS 26 11.053 1.969 -5.393 219 2HZ LYS 26 HZ2 LYS 26 10.435 3.098 -6.503 220 3HZ LYS 26 HZ3 LYS 26 9.553 2.708 -5.105 221 H LEU 27 HN LEU 27 15.047 1.692 0.737 222 HA LEU 27 HA LEU 27 15.148 3.730 2.940 223 1HB LEU 27 HB2 LEU 27 13.994 1.204 2.891 224 2HB LEU 27 HB1 LEU 27 15.558 0.906 3.646 225 HG LEU 27 HG LEU 27 14.301 3.337 4.667 226 1HD1 LEU 27 HD11 LEU 27 12.181 2.339 4.399 227 2HD1 LEU 27 HD12 LEU 27 12.633 1.904 6.046 228 3HD1 LEU 27 HD13 LEU 27 12.797 0.723 4.747 229 1HD2 LEU 27 HD21 LEU 27 14.876 2.289 6.807 230 2HD2 LEU 27 HD22 LEU 27 16.224 2.117 5.682 231 3HD2 LEU 27 HD23 LEU 27 15.159 0.747 5.999 232 H MET 28 HN MET 28 17.090 3.238 0.659 233 HA MET 28 HA MET 28 19.490 2.518 2.315 234 1HB MET 28 HB2 MET 28 18.666 0.925 0.460 235 2HB MET 28 HB1 MET 28 19.195 2.166 -0.677 236 1HG MET 28 HG2 MET 28 21.015 0.595 -0.403 237 2HG MET 28 HG1 MET 28 21.467 2.090 0.415 238 1HE MET 28 HE1 MET 28 19.681 -1.415 1.002 239 2HE MET 28 HE2 MET 28 20.926 -2.055 2.072 240 3HE MET 28 HE3 MET 28 21.366 -1.480 0.467 241 HA PRO 29 HA PRO 29 19.853 6.849 0.650 242 1HB PRO 29 HB2 PRO 29 20.461 8.043 3.035 243 2HB PRO 29 HB1 PRO 29 18.800 7.811 2.464 244 1HG PRO 29 HG2 PRO 29 20.338 6.272 4.482 245 2HG PRO 29 HG1 PRO 29 18.616 6.679 4.443 246 1HD PRO 29 HD2 PRO 29 19.647 4.221 3.773 247 2HD PRO 29 HD1 PRO 29 18.085 4.847 3.206 248 H GLN 30 HN GLN 30 21.855 8.396 1.235 249 HA GLN 30 HA GLN 30 24.292 6.645 1.381 250 1HB GLN 30 HB2 GLN 30 23.725 9.267 -0.045 251 2HB GLN 30 HB1 GLN 30 25.297 8.469 -0.030 252 1HG GLN 30 HG2 GLN 30 23.642 6.412 -0.792 253 2HG GLN 30 HG1 GLN 30 22.865 7.798 -1.558 254 1HE2 GLN 30 HE21 GLN 30 25.931 5.976 -1.396 255 2HE2 GLN 30 HE22 GLN 30 26.563 6.593 -2.844 256 H LEU 31 HN LEU 31 26.141 7.532 2.526 257 HA LEU 31 HA LEU 31 25.641 9.929 4.233 258 1HB LEU 31 HB2 LEU 31 25.039 7.538 5.208 259 2HB LEU 31 HB1 LEU 31 26.783 7.427 5.442 260 HG LEU 31 HG LEU 31 25.470 9.953 6.320 261 1HD1 LEU 31 HD11 LEU 31 23.893 8.239 7.126 262 2HD1 LEU 31 HD12 LEU 31 24.799 8.934 8.470 263 3HD1 LEU 31 HD13 LEU 31 25.231 7.342 7.846 264 1HD2 LEU 31 HD21 LEU 31 27.893 9.597 6.560 265 2HD2 LEU 31 HD22 LEU 31 27.597 8.128 7.488 266 3HD2 LEU 31 HD23 LEU 31 27.131 9.696 8.148 Start of MODEL 38 1 1H SER 1 HT1 SER 1 -19.612 3.220 -8.493 2 2H SER 1 HT2 SER 1 -20.361 4.421 -9.433 3 3H SER 1 HT3 SER 1 -19.627 3.085 -10.184 4 HA SER 1 HA SER 1 -22.024 2.800 -10.193 5 1HB SER 1 HB2 SER 1 -20.379 1.057 -8.334 6 2HB SER 1 HB1 SER 1 -21.952 0.585 -8.972 7 HG SER 1 HG SER 1 -20.267 -0.190 -10.287 8 H GLY 2 HN GLY 2 -20.852 2.572 -6.787 9 1HA GLY 2 HA2 GLY 2 -22.703 4.444 -5.716 10 2HA GLY 2 HA1 GLY 2 -23.441 2.846 -5.616 11 H SER 3 HN SER 3 -21.514 1.157 -4.884 12 HA SER 3 HA SER 3 -20.862 1.992 -2.144 13 1HB SER 3 HB2 SER 3 -19.958 -0.422 -2.153 14 2HB SER 3 HB1 SER 3 -21.680 -0.223 -2.463 15 HG SER 3 HG SER 3 -19.932 -1.429 -3.981 16 H TRP 4 HN TRP 4 -19.372 3.768 -3.248 17 HA TRP 4 HA TRP 4 -16.802 2.878 -4.303 18 1HB TRP 4 HB2 TRP 4 -18.286 5.170 -4.361 19 2HB TRP 4 HB1 TRP 4 -17.082 5.591 -3.143 20 HD1 TRP 4 HD1 TRP 4 -16.854 3.647 -6.494 21 HE1 TRP 4 HE1 TRP 4 -14.876 4.609 -7.840 22 HE3 TRP 4 HE3 TRP 4 -15.314 7.319 -3.296 23 HZ2 TRP 4 HZ2 TRP 4 -12.904 6.664 -7.592 24 HZ3 TRP 4 HZ3 TRP 4 -13.386 8.764 -3.875 25 HH2 TRP 4 HH2 TRP 4 -12.179 8.441 -6.019 26 H LEU 5 HN LEU 5 -18.077 3.343 -1.084 27 HA LEU 5 HA LEU 5 -15.743 4.024 0.384 28 1HB LEU 5 HB2 LEU 5 -18.265 3.666 1.038 29 2HB LEU 5 HB1 LEU 5 -17.763 2.005 1.351 30 HG LEU 5 HG LEU 5 -16.072 4.194 2.481 31 1HD1 LEU 5 HD11 LEU 5 -17.541 4.369 4.457 32 2HD1 LEU 5 HD12 LEU 5 -18.731 3.337 3.665 33 3HD1 LEU 5 HD13 LEU 5 -18.367 4.930 3.004 34 1HD2 LEU 5 HD21 LEU 5 -15.231 2.105 3.050 35 2HD2 LEU 5 HD22 LEU 5 -16.827 1.359 3.098 36 3HD2 LEU 5 HD23 LEU 5 -16.296 2.394 4.424 37 H ARG 6 HN ARG 6 -16.942 0.810 -0.646 38 HA ARG 6 HA ARG 6 -14.809 -0.721 0.552 39 1HB ARG 6 HB2 ARG 6 -17.120 -1.449 -0.340 40 2HB ARG 6 HB1 ARG 6 -16.382 -1.420 -1.941 41 1HG ARG 6 HG2 ARG 6 -15.488 -3.451 -1.577 42 2HG ARG 6 HG1 ARG 6 -14.609 -2.818 -0.185 43 1HD ARG 6 HD2 ARG 6 -17.508 -3.728 -0.064 44 2HD ARG 6 HD1 ARG 6 -16.129 -4.744 0.400 45 HE ARG 6 HE ARG 6 -16.918 -2.206 1.767 46 1HH1 ARG 6 HH21 ARG 6 -16.996 -4.926 3.104 47 2HH1 ARG 6 HH22 ARG 6 -15.530 -4.903 4.024 48 1HH2 ARG 6 HH11 ARG 6 -14.165 -2.228 2.270 49 2HH2 ARG 6 HH12 ARG 6 -13.919 -3.367 3.550 50 H ASP 7 HN ASP 7 -15.256 0.769 -2.658 51 HA ASP 7 HA ASP 7 -12.988 -0.290 -4.000 52 1HB ASP 7 HB2 ASP 7 -14.672 0.955 -5.180 53 2HB ASP 7 HB1 ASP 7 -14.470 2.352 -4.127 54 H ILE 8 HN ILE 8 -13.285 2.600 -1.911 55 HA ILE 8 HA ILE 8 -10.543 3.462 -2.151 56 HB ILE 8 HB ILE 8 -12.664 3.856 -0.006 57 1HG1 ILE 8 HG12 ILE 8 -11.834 5.911 -2.034 58 2HG1 ILE 8 HG11 ILE 8 -12.937 4.626 -2.527 59 1HG2 ILE 8 HG21 ILE 8 -10.853 4.652 1.150 60 2HG2 ILE 8 HG22 ILE 8 -11.109 6.070 0.134 61 3HG2 ILE 8 HG23 ILE 8 -9.888 4.877 -0.309 62 1HD1 ILE 8 HD11 ILE 8 -13.439 6.228 -0.021 63 2HD1 ILE 8 HD12 ILE 8 -14.584 5.277 -0.967 64 3HD1 ILE 8 HD13 ILE 8 -13.976 6.808 -1.596 65 H TRP 9 HN TRP 9 -12.249 1.443 0.262 66 HA TRP 9 HA TRP 9 -10.021 0.983 2.009 67 1HB TRP 9 HB2 TRP 9 -12.739 0.002 1.532 68 2HB TRP 9 HB1 TRP 9 -11.665 -1.279 2.091 69 HD1 TRP 9 HD1 TRP 9 -12.321 -1.483 4.566 70 HE1 TRP 9 HE1 TRP 9 -12.316 0.124 6.582 71 HE3 TRP 9 HE3 TRP 9 -11.338 2.928 2.183 72 HZ2 TRP 9 HZ2 TRP 9 -11.947 2.908 7.114 73 HZ3 TRP 9 HZ3 TRP 9 -11.166 5.040 3.469 74 HH2 TRP 9 HH2 TRP 9 -11.469 5.034 5.929 75 H ASP 10 HN ASP 10 -11.184 -0.750 -0.881 76 HA ASP 10 HA ASP 10 -9.381 -2.979 -0.745 77 1HB ASP 10 HB2 ASP 10 -11.518 -2.256 -2.244 78 2HB ASP 10 HB1 ASP 10 -10.226 -1.865 -3.380 79 H TRP 11 HN TRP 11 -9.148 0.162 -2.459 80 HA TRP 11 HA TRP 11 -6.528 -0.314 -3.579 81 1HB TRP 11 HB2 TRP 11 -8.179 1.352 -4.394 82 2HB TRP 11 HB1 TRP 11 -7.998 2.257 -2.892 83 HD1 TRP 11 HD1 TRP 11 -6.066 1.279 -6.053 84 HE1 TRP 11 HE1 TRP 11 -4.085 2.905 -6.341 85 HE3 TRP 11 HE3 TRP 11 -6.421 3.886 -1.678 86 HZ2 TRP 11 HZ2 TRP 11 -2.820 5.032 -4.905 87 HZ3 TRP 11 HZ3 TRP 11 -4.818 5.705 -1.163 88 HH2 TRP 11 HH2 TRP 11 -3.020 6.280 -2.769 89 H ILE 12 HN ILE 12 -7.662 1.288 -0.587 90 HA ILE 12 HA ILE 12 -5.163 2.269 0.363 91 HB ILE 12 HB ILE 12 -7.783 1.387 1.563 92 1HG1 ILE 12 HG12 ILE 12 -6.321 4.034 1.737 93 2HG1 ILE 12 HG11 ILE 12 -7.366 3.615 0.380 94 1HG2 ILE 12 HG21 ILE 12 -5.249 2.043 3.063 95 2HG2 ILE 12 HG22 ILE 12 -6.394 0.734 3.355 96 3HG2 ILE 12 HG23 ILE 12 -6.831 2.395 3.757 97 1HD1 ILE 12 HD11 ILE 12 -8.634 4.887 2.049 98 2HD1 ILE 12 HD12 ILE 12 -8.192 3.722 3.297 99 3HD1 ILE 12 HD13 ILE 12 -9.238 3.233 1.965 100 H CYS 13 HN CYS 13 -6.650 -0.957 0.575 101 HA CYS 13 HA CYS 13 -4.650 -2.122 2.327 102 1HB CYS 13 HB2 CYS 13 -7.028 -2.904 1.849 103 2HB CYS 13 HB1 CYS 13 -6.446 -3.474 0.286 104 HG CYS 13 HG CYS 13 -6.269 -5.437 2.057 105 H GLU 14 HN GLU 14 -5.085 -1.928 -1.213 106 HA GLU 14 HA GLU 14 -2.938 -3.632 -2.006 107 1HB GLU 14 HB2 GLU 14 -4.624 -1.457 -3.126 108 2HB GLU 14 HB1 GLU 14 -3.109 -1.758 -3.971 109 1HG GLU 14 HG2 GLU 14 -3.780 -3.806 -4.727 110 2HG GLU 14 HG1 GLU 14 -4.649 -4.180 -3.239 111 H VAL 15 HN VAL 15 -3.046 -0.137 -1.354 112 HA VAL 15 HA VAL 15 -0.276 0.409 -1.954 113 HB VAL 15 HB VAL 15 -2.334 1.791 -0.193 114 1HG1 VAL 15 HG11 VAL 15 -0.729 3.795 -0.896 115 2HG1 VAL 15 HG12 VAL 15 0.468 2.502 -0.979 116 3HG1 VAL 15 HG13 VAL 15 -0.386 2.817 0.531 117 1HG2 VAL 15 HG21 VAL 15 -1.845 3.274 -2.514 118 2HG2 VAL 15 HG22 VAL 15 -3.265 2.278 -2.195 119 3HG2 VAL 15 HG23 VAL 15 -1.892 1.602 -3.071 120 H LEU 16 HN LEU 16 -1.992 -0.584 1.003 121 HA LEU 16 HA LEU 16 0.086 -0.180 2.911 122 1HB LEU 16 HB2 LEU 16 -2.350 -0.788 3.274 123 2HB LEU 16 HB1 LEU 16 -1.943 -2.437 2.800 124 HG LEU 16 HG LEU 16 -0.142 -2.351 4.628 125 1HD1 LEU 16 HD11 LEU 16 -1.788 0.095 5.336 126 2HD1 LEU 16 HD12 LEU 16 -0.055 0.034 5.009 127 3HD1 LEU 16 HD13 LEU 16 -0.703 -0.715 6.468 128 1HD2 LEU 16 HD21 LEU 16 -3.111 -2.275 5.210 129 2HD2 LEU 16 HD22 LEU 16 -1.923 -2.674 6.449 130 3HD2 LEU 16 HD23 LEU 16 -2.078 -3.691 5.018 131 H SER 17 HN SER 17 -0.652 -3.008 0.842 132 HA SER 17 HA SER 17 1.525 -4.660 1.775 133 1HB SER 17 HB2 SER 17 -0.585 -5.316 0.494 134 2HB SER 17 HB1 SER 17 0.180 -4.649 -0.947 135 HG SER 17 HG SER 17 1.867 -6.135 -0.664 136 H ASP 18 HN ASP 18 1.178 -2.261 -0.823 137 HA ASP 18 HA ASP 18 3.771 -2.724 -2.033 138 1HB ASP 18 HB2 ASP 18 1.837 -1.674 -3.167 139 2HB ASP 18 HB1 ASP 18 1.903 -0.326 -2.033 140 H PHE 19 HN PHE 19 2.538 -0.413 0.404 141 HA PHE 19 HA PHE 19 4.729 1.297 0.727 142 1HB PHE 19 HB2 PHE 19 2.357 0.667 2.051 143 2HB PHE 19 HB1 PHE 19 3.598 0.356 3.262 144 HD1 PHE 19 HD1 PHE 19 5.529 2.211 3.345 145 HD2 PHE 19 HD2 PHE 19 1.547 2.847 1.863 146 HE1 PHE 19 HE1 PHE 19 5.779 4.648 3.721 147 HE2 PHE 19 HE2 PHE 19 1.797 5.285 2.242 148 HZ PHE 19 HZ PHE 19 3.913 6.186 3.171 149 H LYS 20 HN LYS 20 4.257 -1.912 2.245 150 HA LYS 20 HA LYS 20 6.686 -1.997 3.747 151 1HB LYS 20 HB2 LYS 20 4.737 -3.527 3.970 152 2HB LYS 20 HB1 LYS 20 5.114 -4.222 2.393 153 1HG LYS 20 HG2 LYS 20 7.494 -4.248 4.002 154 2HG LYS 20 HG1 LYS 20 6.177 -4.970 4.928 155 1HD LYS 20 HD2 LYS 20 6.455 -5.766 2.060 156 2HD LYS 20 HD1 LYS 20 7.628 -6.414 3.207 157 1HE LYS 20 HE2 LYS 20 6.011 -7.611 4.394 158 2HE LYS 20 HE1 LYS 20 4.698 -6.526 3.898 159 1HZ LYS 20 HZ1 LYS 20 4.772 -7.352 1.699 160 2HZ LYS 20 HZ2 LYS 20 4.780 -8.724 2.702 161 3HZ LYS 20 HZ3 LYS 20 6.220 -8.196 1.971 162 H THR 21 HN THR 21 5.955 -3.154 0.428 163 HA THR 21 HA THR 21 8.665 -4.044 -0.122 164 HB THR 21 HB THR 21 6.521 -3.231 -2.107 165 HG1 THR 21 HG1 THR 21 5.340 -4.782 -1.365 166 1HG2 THR 21 HG21 THR 21 8.870 -3.958 -2.828 167 2HG2 THR 21 HG22 THR 21 7.523 -4.850 -3.532 168 3HG2 THR 21 HG23 THR 21 8.449 -5.555 -2.207 169 H TRP 22 HN TRP 22 6.864 -1.029 -0.681 170 HA TRP 22 HA TRP 22 8.675 0.329 -2.401 171 1HB TRP 22 HB2 TRP 22 6.319 0.932 -1.521 172 2HB TRP 22 HB1 TRP 22 7.143 1.573 -0.105 173 HD1 TRP 22 HD1 TRP 22 6.914 2.089 -3.906 174 HE1 TRP 22 HE1 TRP 22 7.678 4.492 -4.446 175 HE3 TRP 22 HE3 TRP 22 8.465 3.584 0.724 176 HZ2 TRP 22 HZ2 TRP 22 8.797 6.751 -3.092 177 HZ3 TRP 22 HZ3 TRP 22 9.372 5.865 1.071 178 HH2 TRP 22 HH2 TRP 22 9.540 7.448 -0.830 179 H LEU 23 HN LEU 23 8.511 0.253 1.162 180 HA LEU 23 HA LEU 23 10.774 1.910 1.704 181 1HB LEU 23 HB2 LEU 23 8.982 0.048 3.083 182 2HB LEU 23 HB1 LEU 23 10.612 0.019 3.754 183 HG LEU 23 HG LEU 23 10.404 2.642 3.623 184 1HD1 LEU 23 HD11 LEU 23 7.495 1.841 3.903 185 2HD1 LEU 23 HD12 LEU 23 8.189 2.466 2.406 186 3HD1 LEU 23 HD13 LEU 23 8.154 3.475 3.851 187 1HD2 LEU 23 HD21 LEU 23 8.927 0.959 5.676 188 2HD2 LEU 23 HD22 LEU 23 9.436 2.631 5.913 189 3HD2 LEU 23 HD23 LEU 23 10.644 1.363 5.708 190 H LYS 24 HN LYS 24 10.539 -1.635 1.206 191 HA LYS 24 HA LYS 24 13.370 -2.118 1.710 192 1HB LYS 24 HB2 LYS 24 11.258 -3.673 1.809 193 2HB LYS 24 HB1 LYS 24 11.546 -3.880 0.082 194 1HG LYS 24 HG2 LYS 24 12.935 -5.554 0.767 195 2HG LYS 24 HG1 LYS 24 14.068 -4.234 1.051 196 1HD LYS 24 HD2 LYS 24 14.040 -4.616 3.269 197 2HD LYS 24 HD1 LYS 24 12.282 -4.489 3.307 198 1HE LYS 24 HE2 LYS 24 13.587 -7.008 2.274 199 2HE LYS 24 HE1 LYS 24 13.358 -6.761 4.016 200 1HZ LYS 24 HZ1 LYS 24 11.210 -6.445 1.982 201 2HZ LYS 24 HZ2 LYS 24 11.032 -6.354 3.670 202 3HZ LYS 24 HZ3 LYS 24 11.424 -7.833 2.932 203 H ALA 25 HN ALA 25 11.362 -1.704 -1.212 204 HA ALA 25 HA ALA 25 13.406 -2.240 -3.158 205 1HB ALA 25 HB1 ALA 25 11.808 -0.969 -4.635 206 2HB ALA 25 HB2 ALA 25 10.896 -0.530 -3.191 207 3HB ALA 25 HB3 ALA 25 11.023 -2.221 -3.672 208 H LYS 26 HN LYS 26 12.370 0.763 -1.523 209 HA LYS 26 HA LYS 26 14.447 2.336 -2.947 210 1HB LYS 26 HB2 LYS 26 11.953 2.938 -2.289 211 2HB LYS 26 HB1 LYS 26 12.681 3.349 -0.736 212 1HG LYS 26 HG2 LYS 26 14.226 4.898 -1.833 213 2HG LYS 26 HG1 LYS 26 13.589 4.446 -3.415 214 1HD LYS 26 HD2 LYS 26 11.742 5.747 -3.179 215 2HD LYS 26 HD1 LYS 26 11.525 5.294 -1.489 216 1HE LYS 26 HE2 LYS 26 13.893 7.005 -2.073 217 2HE LYS 26 HE1 LYS 26 12.303 7.781 -2.229 218 1HZ LYS 26 HZ1 LYS 26 11.704 7.068 -0.052 219 2HZ LYS 26 HZ2 LYS 26 13.230 7.805 0.075 220 3HZ LYS 26 HZ3 LYS 26 13.097 6.113 0.099 221 H LEU 27 HN LEU 27 15.239 0.189 -1.025 222 HA LEU 27 HA LEU 27 16.483 1.822 1.156 223 1HB LEU 27 HB2 LEU 27 14.959 -0.516 1.171 224 2HB LEU 27 HB1 LEU 27 16.612 -1.099 1.361 225 HG LEU 27 HG LEU 27 15.513 1.179 3.017 226 1HD1 LEU 27 HD11 LEU 27 15.446 -1.802 3.558 227 2HD1 LEU 27 HD12 LEU 27 14.072 -0.698 3.489 228 3HD1 LEU 27 HD13 LEU 27 15.232 -0.579 4.811 229 1HD2 LEU 27 HD21 LEU 27 17.405 0.769 4.407 230 2HD2 LEU 27 HD22 LEU 27 18.028 0.694 2.760 231 3HD2 LEU 27 HD23 LEU 27 17.717 -0.794 3.653 232 H MET 28 HN MET 28 17.181 -1.008 -0.942 233 HA MET 28 HA MET 28 20.003 -1.055 -0.523 234 1HB MET 28 HB2 MET 28 17.980 -2.277 -2.231 235 2HB MET 28 HB1 MET 28 19.491 -2.025 -3.105 236 1HG MET 28 HG2 MET 28 20.725 -3.356 -1.611 237 2HG MET 28 HG1 MET 28 19.507 -3.225 -0.342 238 1HE MET 28 HE1 MET 28 17.550 -4.204 -0.111 239 2HE MET 28 HE2 MET 28 18.404 -5.716 0.187 240 3HE MET 28 HE3 MET 28 16.972 -5.709 -0.840 241 HA PRO 29 HA PRO 29 20.510 1.540 -4.501 242 1HB PRO 29 HB2 PRO 29 18.287 2.645 -5.664 243 2HB PRO 29 HB1 PRO 29 18.914 1.044 -6.085 244 1HG PRO 29 HG2 PRO 29 16.609 1.774 -4.369 245 2HG PRO 29 HG1 PRO 29 16.813 0.401 -5.464 246 1HD PRO 29 HD2 PRO 29 17.057 0.258 -2.731 247 2HD PRO 29 HD1 PRO 29 17.806 -0.882 -3.871 248 H GLN 30 HN GLN 30 17.499 3.268 -3.712 249 HA GLN 30 HA GLN 30 17.118 5.340 -2.659 250 1HB GLN 30 HB2 GLN 30 18.794 3.796 -1.060 251 2HB GLN 30 HB1 GLN 30 19.637 5.341 -1.155 252 1HG GLN 30 HG2 GLN 30 17.536 6.499 -0.493 253 2HG GLN 30 HG1 GLN 30 16.751 4.928 -0.322 254 1HE2 GLN 30 HE21 GLN 30 17.680 3.435 1.371 255 2HE2 GLN 30 HE22 GLN 30 18.493 4.103 2.702 256 H LEU 31 HN LEU 31 18.052 5.717 -5.161 257 HA LEU 31 HA LEU 31 20.129 7.869 -4.873 258 1HB LEU 31 HB2 LEU 31 19.858 5.530 -6.699 259 2HB LEU 31 HB1 LEU 31 20.449 7.026 -7.422 260 HG LEU 31 HG LEU 31 21.623 6.014 -4.838 261 1HD1 LEU 31 HD11 LEU 31 23.272 4.743 -6.053 262 2HD1 LEU 31 HD12 LEU 31 22.636 5.296 -7.602 263 3HD1 LEU 31 HD13 LEU 31 21.687 4.196 -6.602 264 1HD2 LEU 31 HD21 LEU 31 23.577 7.287 -5.661 265 2HD2 LEU 31 HD22 LEU 31 22.142 8.310 -5.599 266 3HD2 LEU 31 HD23 LEU 31 22.704 7.671 -7.143 Start of MODEL 39 1 1H SER 1 HT1 SER 1 -21.543 -2.794 -10.015 2 2H SER 1 HT2 SER 1 -21.556 -2.600 -8.328 3 3H SER 1 HT3 SER 1 -20.304 -1.923 -9.254 4 HA SER 1 HA SER 1 -21.893 -0.424 -10.338 5 1HB SER 1 HB2 SER 1 -23.725 -2.164 -9.995 6 2HB SER 1 HB1 SER 1 -23.839 -1.601 -8.330 7 HG SER 1 HG SER 1 -25.316 -0.510 -9.672 8 H GLY 2 HN GLY 2 -22.473 -1.179 -6.862 9 1HA GLY 2 HA2 GLY 2 -21.781 1.627 -6.194 10 2HA GLY 2 HA1 GLY 2 -22.544 0.468 -5.104 11 H SER 3 HN SER 3 -21.244 -0.837 -3.822 12 HA SER 3 HA SER 3 -19.299 -1.414 -2.614 13 1HB SER 3 HB2 SER 3 -19.125 -2.762 -4.660 14 2HB SER 3 HB1 SER 3 -18.344 -1.425 -5.494 15 HG SER 3 HG SER 3 -16.583 -1.641 -4.161 16 H TRP 4 HN TRP 4 -19.734 1.459 -2.808 17 HA TRP 4 HA TRP 4 -17.364 2.880 -3.611 18 1HB TRP 4 HB2 TRP 4 -19.749 3.716 -3.130 19 2HB TRP 4 HB1 TRP 4 -19.306 3.663 -1.423 20 HD1 TRP 4 HD1 TRP 4 -18.875 5.689 -4.551 21 HE1 TRP 4 HE1 TRP 4 -17.445 7.774 -4.049 22 HE3 TRP 4 HE3 TRP 4 -17.236 4.530 0.146 23 HZ2 TRP 4 HZ2 TRP 4 -15.822 8.812 -1.938 24 HZ3 TRP 4 HZ3 TRP 4 -15.752 6.084 1.379 25 HH2 TRP 4 HH2 TRP 4 -15.042 8.222 0.343 26 H LEU 5 HN LEU 5 -18.489 1.983 -0.310 27 HA LEU 5 HA LEU 5 -16.126 2.778 1.073 28 1HB LEU 5 HB2 LEU 5 -18.620 1.719 1.663 29 2HB LEU 5 HB1 LEU 5 -17.532 0.414 2.130 30 HG LEU 5 HG LEU 5 -17.904 1.918 4.031 31 1HD1 LEU 5 HD11 LEU 5 -15.631 0.865 3.591 32 2HD1 LEU 5 HD12 LEU 5 -15.613 2.291 4.628 33 3HD1 LEU 5 HD13 LEU 5 -15.126 2.424 2.938 34 1HD2 LEU 5 HD21 LEU 5 -17.364 4.253 3.957 35 2HD2 LEU 5 HD22 LEU 5 -18.363 3.934 2.539 36 3HD2 LEU 5 HD23 LEU 5 -16.615 4.097 2.368 37 H ARG 6 HN ARG 6 -17.042 -0.396 -0.301 38 HA ARG 6 HA ARG 6 -14.719 -1.852 0.537 39 1HB ARG 6 HB2 ARG 6 -16.893 -2.767 -0.305 40 2HB ARG 6 HB1 ARG 6 -16.476 -2.190 -1.918 41 1HG ARG 6 HG2 ARG 6 -14.296 -3.573 -1.615 42 2HG ARG 6 HG1 ARG 6 -15.170 -4.379 -0.310 43 1HD ARG 6 HD2 ARG 6 -17.053 -4.795 -1.988 44 2HD ARG 6 HD1 ARG 6 -15.917 -4.273 -3.248 45 HE ARG 6 HE ARG 6 -14.628 -6.196 -1.551 46 1HH1 ARG 6 HH21 ARG 6 -17.321 -7.489 -2.020 47 2HH1 ARG 6 HH22 ARG 6 -17.032 -8.387 -3.472 48 1HH2 ARG 6 HH11 ARG 6 -14.123 -6.662 -4.271 49 2HH2 ARG 6 HH12 ARG 6 -15.212 -7.920 -4.750 50 H ASP 7 HN ASP 7 -15.389 0.118 -2.353 51 HA ASP 7 HA ASP 7 -13.031 -0.542 -3.848 52 1HB ASP 7 HB2 ASP 7 -15.073 0.560 -4.725 53 2HB ASP 7 HB1 ASP 7 -14.714 1.988 -3.754 54 H ILE 8 HN ILE 8 -13.721 2.165 -1.597 55 HA ILE 8 HA ILE 8 -11.163 3.439 -1.786 56 HB ILE 8 HB ILE 8 -13.540 3.424 0.015 57 1HG1 ILE 8 HG12 ILE 8 -13.189 5.926 -0.330 58 2HG1 ILE 8 HG11 ILE 8 -11.850 5.506 -1.399 59 1HG2 ILE 8 HG21 ILE 8 -12.377 4.972 1.623 60 2HG2 ILE 8 HG22 ILE 8 -10.844 4.519 0.878 61 3HG2 ILE 8 HG23 ILE 8 -11.810 3.305 1.717 62 1HD1 ILE 8 HD11 ILE 8 -13.360 4.226 -2.838 63 2HD1 ILE 8 HD12 ILE 8 -13.973 5.869 -2.647 64 3HD1 ILE 8 HD13 ILE 8 -14.706 4.545 -1.743 65 H TRP 9 HN TRP 9 -12.379 0.944 0.488 66 HA TRP 9 HA TRP 9 -9.974 0.751 2.059 67 1HB TRP 9 HB2 TRP 9 -12.515 -0.695 1.655 68 2HB TRP 9 HB1 TRP 9 -11.185 -1.727 2.178 69 HD1 TRP 9 HD1 TRP 9 -13.817 0.222 3.624 70 HE1 TRP 9 HE1 TRP 9 -13.264 0.986 6.024 71 HE3 TRP 9 HE3 TRP 9 -8.787 -0.655 3.692 72 HZ2 TRP 9 HZ2 TRP 9 -10.989 1.196 7.746 73 HZ3 TRP 9 HZ3 TRP 9 -7.452 -0.163 5.721 74 HH2 TRP 9 HH2 TRP 9 -8.546 0.760 7.746 75 H ASP 10 HN ASP 10 -11.043 -0.851 -0.928 76 HA ASP 10 HA ASP 10 -8.999 -2.844 -1.116 77 1HB ASP 10 HB2 ASP 10 -11.073 -2.724 -2.472 78 2HB ASP 10 HB1 ASP 10 -10.471 -1.266 -3.259 79 H TRP 11 HN TRP 11 -9.130 0.535 -2.265 80 HA TRP 11 HA TRP 11 -6.554 0.586 -3.549 81 1HB TRP 11 HB2 TRP 11 -8.390 2.209 -3.910 82 2HB TRP 11 HB1 TRP 11 -8.237 2.758 -2.242 83 HD1 TRP 11 HD1 TRP 11 -6.521 2.931 -5.636 84 HE1 TRP 11 HE1 TRP 11 -4.714 4.767 -5.564 85 HE3 TRP 11 HE3 TRP 11 -6.597 4.050 -0.654 86 HZ2 TRP 11 HZ2 TRP 11 -3.463 6.485 -3.646 87 HZ3 TRP 11 HZ3 TRP 11 -5.089 5.786 0.267 88 HH2 TRP 11 HH2 TRP 11 -3.524 7.004 -1.221 89 H ILE 12 HN ILE 12 -7.621 1.347 -0.227 90 HA ILE 12 HA ILE 12 -5.126 2.346 0.771 91 HB ILE 12 HB ILE 12 -7.521 0.952 2.009 92 1HG1 ILE 12 HG12 ILE 12 -6.639 3.819 2.345 93 2HG1 ILE 12 HG11 ILE 12 -7.588 3.322 0.945 94 1HG2 ILE 12 HG21 ILE 12 -5.895 0.504 3.637 95 2HG2 ILE 12 HG22 ILE 12 -6.519 2.068 4.162 96 3HG2 ILE 12 HG23 ILE 12 -4.992 1.976 3.283 97 1HD1 ILE 12 HD11 ILE 12 -9.051 2.161 2.890 98 2HD1 ILE 12 HD12 ILE 12 -9.336 3.814 2.348 99 3HD1 ILE 12 HD13 ILE 12 -8.387 3.516 3.805 100 H CYS 13 HN CYS 13 -6.452 -0.951 0.508 101 HA CYS 13 HA CYS 13 -4.323 -2.293 1.930 102 1HB CYS 13 HB2 CYS 13 -6.694 -3.079 1.316 103 2HB CYS 13 HB1 CYS 13 -6.055 -3.401 -0.295 104 HG CYS 13 HG CYS 13 -5.008 -4.836 2.284 105 H GLU 14 HN GLU 14 -4.823 -1.372 -1.471 106 HA GLU 14 HA GLU 14 -2.604 -2.828 -2.591 107 1HB GLU 14 HB2 GLU 14 -4.725 -1.261 -3.455 108 2HB GLU 14 HB1 GLU 14 -3.323 -0.265 -3.839 109 1HG GLU 14 HG2 GLU 14 -3.368 -3.191 -4.560 110 2HG GLU 14 HG1 GLU 14 -4.123 -1.993 -5.609 111 H VAL 15 HN VAL 15 -2.968 0.486 -1.390 112 HA VAL 15 HA VAL 15 -0.263 1.346 -1.950 113 HB VAL 15 HB VAL 15 -2.383 2.315 0.005 114 1HG1 VAL 15 HG11 VAL 15 -0.178 3.189 0.615 115 2HG1 VAL 15 HG12 VAL 15 -1.146 4.474 -0.108 116 3HG1 VAL 15 HG13 VAL 15 0.112 3.681 -1.055 117 1HG2 VAL 15 HG21 VAL 15 -3.400 3.288 -1.763 118 2HG2 VAL 15 HG22 VAL 15 -2.380 2.285 -2.794 119 3HG2 VAL 15 HG23 VAL 15 -1.872 3.922 -2.376 120 H LEU 16 HN LEU 16 -1.887 0.191 1.033 121 HA LEU 16 HA LEU 16 0.375 0.375 2.774 122 1HB LEU 16 HB2 LEU 16 -2.112 0.022 3.283 123 2HB LEU 16 HB1 LEU 16 -1.852 -1.677 2.888 124 HG LEU 16 HG LEU 16 0.227 -0.793 4.676 125 1HD1 LEU 16 HD11 LEU 16 -1.716 0.851 5.226 126 2HD1 LEU 16 HD12 LEU 16 -0.963 -0.027 6.558 127 3HD1 LEU 16 HD13 LEU 16 -2.514 -0.564 5.912 128 1HD2 LEU 16 HD21 LEU 16 -0.424 -3.117 4.417 129 2HD2 LEU 16 HD22 LEU 16 -2.080 -2.752 4.900 130 3HD2 LEU 16 HD23 LEU 16 -0.773 -2.634 6.076 131 H SER 17 HN SER 17 -0.828 -2.370 0.792 132 HA SER 17 HA SER 17 1.120 -4.298 1.607 133 1HB SER 17 HB2 SER 17 -1.043 -4.552 0.235 134 2HB SER 17 HB1 SER 17 -0.095 -4.032 -1.156 135 HG SER 17 HG SER 17 0.161 -6.182 -1.166 136 H ASP 18 HN ASP 18 1.144 -1.947 -1.098 137 HA ASP 18 HA ASP 18 3.749 -2.709 -2.098 138 1HB ASP 18 HB2 ASP 18 2.222 -1.551 -3.536 139 2HB ASP 18 HB1 ASP 18 1.966 -0.273 -2.349 140 H PHE 19 HN PHE 19 2.626 -0.206 0.195 141 HA PHE 19 HA PHE 19 4.927 1.308 0.621 142 1HB PHE 19 HB2 PHE 19 2.476 0.954 1.816 143 2HB PHE 19 HB1 PHE 19 3.567 0.388 3.077 144 HD1 PHE 19 HD1 PHE 19 5.302 1.879 4.014 145 HD2 PHE 19 HD2 PHE 19 2.443 3.279 1.129 146 HE1 PHE 19 HE1 PHE 19 5.881 4.222 4.579 147 HE2 PHE 19 HE2 PHE 19 3.022 5.624 1.696 148 HZ PHE 19 HZ PHE 19 4.741 6.095 3.421 149 H LYS 20 HN LYS 20 4.181 -1.887 2.046 150 HA LYS 20 HA LYS 20 6.519 -2.125 3.682 151 1HB LYS 20 HB2 LYS 20 4.386 -3.511 3.677 152 2HB LYS 20 HB1 LYS 20 5.013 -4.334 2.248 153 1HG LYS 20 HG2 LYS 20 7.170 -4.508 3.900 154 2HG LYS 20 HG1 LYS 20 5.860 -4.557 5.078 155 1HD LYS 20 HD2 LYS 20 5.404 -6.691 4.533 156 2HD LYS 20 HD1 LYS 20 5.166 -6.232 2.847 157 1HE LYS 20 HE2 LYS 20 6.967 -7.696 2.619 158 2HE LYS 20 HE1 LYS 20 7.847 -6.175 2.867 159 1HZ LYS 20 HZ1 LYS 20 7.074 -8.124 4.980 160 2HZ LYS 20 HZ2 LYS 20 7.816 -6.621 5.269 161 3HZ LYS 20 HZ3 LYS 20 8.646 -7.832 4.415 162 H THR 21 HN THR 21 5.903 -3.157 0.300 163 HA THR 21 HA THR 21 8.615 -4.208 -0.056 164 HB THR 21 HB THR 21 6.741 -3.447 -2.289 165 HG1 THR 21 HG1 THR 21 5.237 -4.621 -1.449 166 1HG2 THR 21 HG21 THR 21 7.700 -5.279 -3.395 167 2HG2 THR 21 HG22 THR 21 8.197 -6.048 -1.888 168 3HG2 THR 21 HG23 THR 21 9.059 -4.626 -2.478 169 H TRP 22 HN TRP 22 6.872 -1.247 -1.017 170 HA TRP 22 HA TRP 22 8.863 -0.032 -2.638 171 1HB TRP 22 HB2 TRP 22 6.363 0.558 -1.851 172 2HB TRP 22 HB1 TRP 22 7.235 1.608 -0.739 173 HD1 TRP 22 HD1 TRP 22 6.359 1.181 -4.393 174 HE1 TRP 22 HE1 TRP 22 7.172 3.244 -5.708 175 HE3 TRP 22 HE3 TRP 22 9.128 3.496 -0.779 176 HZ2 TRP 22 HZ2 TRP 22 8.785 5.571 -5.282 177 HZ3 TRP 22 HZ3 TRP 22 10.291 5.631 -1.259 178 HH2 TRP 22 HH2 TRP 22 10.123 6.669 -3.505 179 H LEU 23 HN LEU 23 8.396 0.068 0.894 180 HA LEU 23 HA LEU 23 10.626 1.874 1.387 181 1HB LEU 23 HB2 LEU 23 8.634 0.273 2.911 182 2HB LEU 23 HB1 LEU 23 10.117 0.678 3.771 183 HG LEU 23 HG LEU 23 8.338 2.391 4.090 184 1HD1 LEU 23 HD11 LEU 23 10.594 3.521 2.425 185 2HD1 LEU 23 HD12 LEU 23 10.838 2.908 4.060 186 3HD1 LEU 23 HD13 LEU 23 9.763 4.278 3.783 187 1HD2 LEU 23 HD21 LEU 23 7.371 2.077 1.764 188 2HD2 LEU 23 HD22 LEU 23 8.736 3.007 1.149 189 3HD2 LEU 23 HD23 LEU 23 7.585 3.756 2.255 190 H LYS 24 HN LYS 24 10.383 -1.592 0.927 191 HA LYS 24 HA LYS 24 13.037 -2.048 2.208 192 1HB LYS 24 HB2 LYS 24 10.961 -3.465 2.609 193 2HB LYS 24 HB1 LYS 24 11.120 -4.024 0.944 194 1HG LYS 24 HG2 LYS 24 13.692 -4.261 2.107 195 2HG LYS 24 HG1 LYS 24 12.553 -4.909 3.288 196 1HD LYS 24 HD2 LYS 24 12.115 -5.699 0.452 197 2HD LYS 24 HD1 LYS 24 13.530 -6.384 1.252 198 1HE LYS 24 HE2 LYS 24 11.833 -6.893 3.210 199 2HE LYS 24 HE1 LYS 24 10.621 -6.755 1.921 200 1HZ LYS 24 HZ1 LYS 24 11.398 -9.008 1.978 201 2HZ LYS 24 HZ2 LYS 24 13.023 -8.510 1.930 202 3HZ LYS 24 HZ3 LYS 24 12.019 -8.277 0.579 203 H ALA 25 HN ALA 25 11.407 -2.294 -0.959 204 HA ALA 25 HA ALA 25 13.712 -3.402 -2.344 205 1HB ALA 25 HB1 ALA 25 11.114 -2.089 -3.174 206 2HB ALA 25 HB2 ALA 25 11.504 -3.809 -3.178 207 3HB ALA 25 HB3 ALA 25 12.269 -2.729 -4.343 208 H LYS 26 HN LYS 26 12.988 -0.209 -1.256 209 HA LYS 26 HA LYS 26 14.440 1.152 -3.433 210 1HB LYS 26 HB2 LYS 26 12.391 1.940 -2.020 211 2HB LYS 26 HB1 LYS 26 13.594 2.347 -0.797 212 1HG LYS 26 HG2 LYS 26 13.940 4.288 -1.889 213 2HG LYS 26 HG1 LYS 26 14.632 3.348 -3.212 214 1HD LYS 26 HD2 LYS 26 11.706 3.302 -3.227 215 2HD LYS 26 HD1 LYS 26 12.355 4.936 -3.369 216 1HE LYS 26 HE2 LYS 26 13.352 4.512 -5.415 217 2HE LYS 26 HE1 LYS 26 13.626 2.798 -5.042 218 1HZ LYS 26 HZ1 LYS 26 11.266 2.390 -5.202 219 2HZ LYS 26 HZ2 LYS 26 11.805 3.114 -6.644 220 3HZ LYS 26 HZ3 LYS 26 10.958 4.034 -5.493 221 H LEU 27 HN LEU 27 14.912 0.663 0.098 222 HA LEU 27 HA LEU 27 17.822 1.274 -0.313 223 1HB LEU 27 HB2 LEU 27 17.758 1.951 2.079 224 2HB LEU 27 HB1 LEU 27 16.614 2.867 1.102 225 HG LEU 27 HG LEU 27 15.351 0.459 2.093 226 1HD1 LEU 27 HD11 LEU 27 16.372 2.334 4.241 227 2HD1 LEU 27 HD12 LEU 27 17.118 0.774 3.887 228 3HD1 LEU 27 HD13 LEU 27 15.453 0.845 4.465 229 1HD2 LEU 27 HD21 LEU 27 14.916 3.422 2.590 230 2HD2 LEU 27 HD22 LEU 27 13.772 2.151 3.025 231 3HD2 LEU 27 HD23 LEU 27 14.152 2.452 1.330 232 H MET 28 HN MET 28 15.537 -1.090 0.984 233 HA MET 28 HA MET 28 15.862 -3.247 1.874 234 1HB MET 28 HB2 MET 28 16.930 -3.275 -0.436 235 2HB MET 28 HB1 MET 28 18.482 -3.038 0.364 236 1HG MET 28 HG2 MET 28 18.313 -5.387 0.114 237 2HG MET 28 HG1 MET 28 17.853 -5.096 1.792 238 1HE MET 28 HE1 MET 28 15.863 -7.965 -0.349 239 2HE MET 28 HE2 MET 28 16.604 -7.875 1.247 240 3HE MET 28 HE3 MET 28 17.532 -7.406 -0.175 241 HA PRO 29 HA PRO 29 18.719 -1.633 5.148 242 1HB PRO 29 HB2 PRO 29 16.965 -1.940 7.226 243 2HB PRO 29 HB1 PRO 29 17.036 -0.479 6.223 244 1HG PRO 29 HG2 PRO 29 15.114 -2.740 6.140 245 2HG PRO 29 HG1 PRO 29 14.840 -1.013 5.866 246 1HD PRO 29 HD2 PRO 29 15.044 -2.884 3.867 247 2HD PRO 29 HD1 PRO 29 15.381 -1.153 3.656 248 H GLN 30 HN GLN 30 19.013 -2.849 7.459 249 HA GLN 30 HA GLN 30 18.632 -5.793 7.134 250 1HB GLN 30 HB2 GLN 30 21.013 -6.178 7.439 251 2HB GLN 30 HB1 GLN 30 20.808 -5.035 6.113 252 1HG GLN 30 HG2 GLN 30 20.937 -3.403 8.371 253 2HG GLN 30 HG1 GLN 30 22.130 -4.660 8.694 254 1HE2 GLN 30 HE21 GLN 30 21.141 -2.351 6.110 255 2HE2 GLN 30 HE22 GLN 30 22.702 -2.168 5.472 256 H LEU 31 HN LEU 31 19.239 -6.956 9.190 257 HA LEU 31 HA LEU 31 19.201 -7.248 11.517 258 1HB LEU 31 HB2 LEU 31 20.607 -5.796 12.520 259 2HB LEU 31 HB1 LEU 31 20.633 -4.900 11.008 260 HG LEU 31 HG LEU 31 18.341 -3.918 12.095 261 1HD1 LEU 31 HD11 LEU 31 20.191 -4.207 14.465 262 2HD1 LEU 31 HD12 LEU 31 18.896 -5.364 14.163 263 3HD1 LEU 31 HD13 LEU 31 18.512 -3.666 14.448 264 1HD2 LEU 31 HD21 LEU 31 19.877 -2.051 12.980 265 2HD2 LEU 31 HD22 LEU 31 20.023 -2.455 11.271 266 3HD2 LEU 31 HD23 LEU 31 21.218 -3.051 12.422 Start of MODEL 40 1 1H SER 1 HT1 SER 1 -22.402 9.303 0.256 2 2H SER 1 HT2 SER 1 -22.844 10.852 0.794 3 3H SER 1 HT3 SER 1 -21.208 10.479 0.520 4 HA SER 1 HA SER 1 -23.336 10.651 -1.560 5 1HB SER 1 HB2 SER 1 -21.823 12.610 -2.221 6 2HB SER 1 HB1 SER 1 -22.739 12.820 -0.732 7 HG SER 1 HG SER 1 -20.000 12.316 -1.118 8 H GLY 2 HN GLY 2 -22.856 9.296 -3.246 9 1HA GLY 2 HA2 GLY 2 -21.510 8.376 -4.980 10 2HA GLY 2 HA1 GLY 2 -20.080 9.035 -4.186 11 H SER 3 HN SER 3 -20.852 6.230 -5.183 12 HA SER 3 HA SER 3 -20.571 4.701 -2.628 13 1HB SER 3 HB2 SER 3 -22.371 4.286 -4.426 14 2HB SER 3 HB1 SER 3 -21.065 3.645 -5.422 15 HG SER 3 HG SER 3 -21.825 1.921 -4.312 16 H TRP 4 HN TRP 4 -18.232 6.049 -3.337 17 HA TRP 4 HA TRP 4 -16.517 3.949 -4.620 18 1HB TRP 4 HB2 TRP 4 -16.883 6.603 -5.228 19 2HB TRP 4 HB1 TRP 4 -15.456 6.672 -4.194 20 HD1 TRP 4 HD1 TRP 4 -16.659 4.414 -7.115 21 HE1 TRP 4 HE1 TRP 4 -14.640 3.974 -8.660 22 HE3 TRP 4 HE3 TRP 4 -13.044 7.000 -4.603 23 HZ2 TRP 4 HZ2 TRP 4 -11.862 4.632 -8.807 24 HZ3 TRP 4 HZ3 TRP 4 -10.722 7.076 -5.467 25 HH2 TRP 4 HH2 TRP 4 -10.129 5.897 -7.564 26 H LEU 5 HN LEU 5 -17.360 5.068 -1.575 27 HA LEU 5 HA LEU 5 -14.856 5.385 -0.229 28 1HB LEU 5 HB2 LEU 5 -17.701 4.861 0.411 29 2HB LEU 5 HB1 LEU 5 -16.560 4.316 1.639 30 HG LEU 5 HG LEU 5 -17.286 6.647 2.049 31 1HD1 LEU 5 HD11 LEU 5 -15.156 7.461 2.585 32 2HD1 LEU 5 HD12 LEU 5 -14.426 6.796 1.125 33 3HD1 LEU 5 HD13 LEU 5 -14.872 5.727 2.455 34 1HD2 LEU 5 HD21 LEU 5 -15.943 7.214 -0.615 35 2HD2 LEU 5 HD22 LEU 5 -16.620 8.420 0.478 36 3HD2 LEU 5 HD23 LEU 5 -17.681 7.262 -0.322 37 H ARG 6 HN ARG 6 -16.931 2.477 -0.593 38 HA ARG 6 HA ARG 6 -15.179 0.634 0.720 39 1HB ARG 6 HB2 ARG 6 -17.654 0.453 -0.062 40 2HB ARG 6 HB1 ARG 6 -16.977 -0.024 -1.620 41 1HG ARG 6 HG2 ARG 6 -15.792 -1.423 0.691 42 2HG ARG 6 HG1 ARG 6 -17.505 -1.760 0.442 43 1HD ARG 6 HD2 ARG 6 -16.440 -1.862 -2.140 44 2HD ARG 6 HD1 ARG 6 -15.211 -2.653 -1.134 45 HE ARG 6 HE ARG 6 -16.982 -4.156 -0.280 46 1HH1 ARG 6 HH11 ARG 6 -19.275 -2.300 -1.107 47 2HH1 ARG 6 HH12 ARG 6 -19.949 -3.177 -2.440 48 1HH2 ARG 6 HH21 ARG 6 -17.178 -5.245 -2.813 49 2HH2 ARG 6 HH22 ARG 6 -18.755 -4.854 -3.409 50 H ASP 7 HN ASP 7 -15.365 1.770 -2.645 51 HA ASP 7 HA ASP 7 -13.538 -0.037 -3.870 52 1HB ASP 7 HB2 ASP 7 -15.028 1.609 -5.006 53 2HB ASP 7 HB1 ASP 7 -14.017 2.919 -4.396 54 H ILE 8 HN ILE 8 -12.969 3.023 -2.117 55 HA ILE 8 HA ILE 8 -10.093 3.048 -2.542 56 HB ILE 8 HB ILE 8 -11.905 4.393 -0.504 57 1HG1 ILE 8 HG12 ILE 8 -10.652 5.802 -2.828 58 2HG1 ILE 8 HG11 ILE 8 -12.036 4.757 -3.152 59 1HG2 ILE 8 HG21 ILE 8 -8.982 4.709 -1.174 60 2HG2 ILE 8 HG22 ILE 8 -9.746 4.595 0.412 61 3HG2 ILE 8 HG23 ILE 8 -9.909 6.069 -0.542 62 1HD1 ILE 8 HD11 ILE 8 -11.935 7.085 -1.217 63 2HD1 ILE 8 HD12 ILE 8 -13.291 5.965 -1.342 64 3HD1 ILE 8 HD13 ILE 8 -12.865 6.991 -2.712 65 H TRP 9 HN TRP 9 -12.240 1.727 -0.033 66 HA TRP 9 HA TRP 9 -10.385 1.211 2.035 67 1HB TRP 9 HB2 TRP 9 -12.953 0.896 1.868 68 2HB TRP 9 HB1 TRP 9 -12.580 -0.693 1.199 69 HD1 TRP 9 HD1 TRP 9 -12.915 -2.384 3.068 70 HE1 TRP 9 HE1 TRP 9 -12.180 -2.579 5.531 71 HE3 TRP 9 HE3 TRP 9 -10.686 2.170 3.693 72 HZ2 TRP 9 HZ2 TRP 9 -10.829 -1.013 7.504 73 HZ3 TRP 9 HZ3 TRP 9 -9.684 2.790 5.871 74 HH2 TRP 9 HH2 TRP 9 -9.752 1.206 7.777 75 H ASP 10 HN ASP 10 -11.330 -1.016 -0.636 76 HA ASP 10 HA ASP 10 -9.362 -3.026 -0.011 77 1HB ASP 10 HB2 ASP 10 -11.485 -3.139 -1.471 78 2HB ASP 10 HB1 ASP 10 -10.511 -2.401 -2.743 79 H TRP 11 HN TRP 11 -9.329 -0.157 -2.119 80 HA TRP 11 HA TRP 11 -6.848 -0.595 -3.458 81 1HB TRP 11 HB2 TRP 11 -8.563 1.126 -4.001 82 2HB TRP 11 HB1 TRP 11 -8.167 1.978 -2.510 83 HD1 TRP 11 HD1 TRP 11 -6.892 1.307 -6.018 84 HE1 TRP 11 HE1 TRP 11 -4.878 2.845 -6.492 85 HE3 TRP 11 HE3 TRP 11 -6.144 3.247 -1.353 86 HZ2 TRP 11 HZ2 TRP 11 -3.175 4.658 -5.080 87 HZ3 TRP 11 HZ3 TRP 11 -4.321 4.875 -0.947 88 HH2 TRP 11 HH2 TRP 11 -2.837 5.583 -2.802 89 H ILE 12 HN ILE 12 -7.567 0.895 -0.289 90 HA ILE 12 HA ILE 12 -4.916 1.781 0.343 91 HB ILE 12 HB ILE 12 -7.315 0.891 1.975 92 1HG1 ILE 12 HG12 ILE 12 -6.169 3.668 1.794 93 2HG1 ILE 12 HG11 ILE 12 -7.181 3.054 0.487 94 1HG2 ILE 12 HG21 ILE 12 -5.629 0.570 3.559 95 2HG2 ILE 12 HG22 ILE 12 -6.016 2.273 3.802 96 3HG2 ILE 12 HG23 ILE 12 -4.596 1.818 2.861 97 1HD1 ILE 12 HD11 ILE 12 -8.982 2.566 2.088 98 2HD1 ILE 12 HD12 ILE 12 -8.528 4.268 2.172 99 3HD1 ILE 12 HD13 ILE 12 -7.973 3.146 3.413 100 H CYS 13 HN CYS 13 -6.560 -1.349 0.776 101 HA CYS 13 HA CYS 13 -4.466 -2.648 2.280 102 1HB CYS 13 HB2 CYS 13 -6.951 -3.266 1.917 103 2HB CYS 13 HB1 CYS 13 -6.430 -3.951 0.379 104 HG CYS 13 HG CYS 13 -6.169 -5.356 2.973 105 H GLU 14 HN GLU 14 -5.180 -2.377 -1.214 106 HA GLU 14 HA GLU 14 -3.135 -4.171 -2.140 107 1HB GLU 14 HB2 GLU 14 -5.061 -2.239 -3.164 108 2HB GLU 14 HB1 GLU 14 -3.546 -2.160 -4.061 109 1HG GLU 14 HG2 GLU 14 -4.807 -4.827 -3.456 110 2HG GLU 14 HG1 GLU 14 -5.367 -3.869 -4.827 111 H VAL 15 HN VAL 15 -3.156 -0.728 -1.347 112 HA VAL 15 HA VAL 15 -0.391 -0.282 -2.238 113 HB VAL 15 HB VAL 15 -2.330 1.386 -0.591 114 1HG1 VAL 15 HG11 VAL 15 -0.147 2.272 -0.230 115 2HG1 VAL 15 HG12 VAL 15 -0.841 3.268 -1.508 116 3HG1 VAL 15 HG13 VAL 15 0.323 2.003 -1.908 117 1HG2 VAL 15 HG21 VAL 15 -1.970 2.448 -3.183 118 2HG2 VAL 15 HG22 VAL 15 -3.419 1.672 -2.546 119 3HG2 VAL 15 HG23 VAL 15 -2.214 0.716 -3.407 120 H LEU 16 HN LEU 16 -2.054 -1.202 0.717 121 HA LEU 16 HA LEU 16 -0.175 -0.461 2.706 122 1HB LEU 16 HB2 LEU 16 -2.558 -1.835 2.540 123 2HB LEU 16 HB1 LEU 16 -1.438 -3.124 2.969 124 HG LEU 16 HG LEU 16 -2.349 -2.120 5.001 125 1HD1 LEU 16 HD11 LEU 16 0.479 -1.095 4.690 126 2HD1 LEU 16 HD12 LEU 16 0.108 -2.814 4.831 127 3HD1 LEU 16 HD13 LEU 16 -0.300 -1.713 6.146 128 1HD2 LEU 16 HD21 LEU 16 -2.158 0.209 5.507 129 2HD2 LEU 16 HD22 LEU 16 -2.775 0.128 3.857 130 3HD2 LEU 16 HD23 LEU 16 -1.073 0.489 4.144 131 H SER 17 HN SER 17 -0.389 -3.559 0.893 132 HA SER 17 HA SER 17 2.072 -4.656 1.927 133 1HB SER 17 HB2 SER 17 1.777 -6.130 -0.161 134 2HB SER 17 HB1 SER 17 0.426 -6.109 0.969 135 HG SER 17 HG SER 17 -0.119 -5.799 -1.303 136 H ASP 18 HN ASP 18 1.261 -2.715 -0.942 137 HA ASP 18 HA ASP 18 3.817 -2.805 -2.243 138 1HB ASP 18 HB2 ASP 18 1.410 -1.923 -2.920 139 2HB ASP 18 HB1 ASP 18 2.014 -0.395 -2.277 140 H PHE 19 HN PHE 19 2.471 -0.676 0.276 141 HA PHE 19 HA PHE 19 4.538 1.276 0.421 142 1HB PHE 19 HB2 PHE 19 2.187 0.665 1.728 143 2HB PHE 19 HB1 PHE 19 3.386 0.334 2.975 144 HD1 PHE 19 HD1 PHE 19 5.163 2.134 3.447 145 HD2 PHE 19 HD2 PHE 19 1.566 2.886 1.223 146 HE1 PHE 19 HE1 PHE 19 5.419 4.565 3.857 147 HE2 PHE 19 HE2 PHE 19 1.822 5.319 1.634 148 HZ PHE 19 HZ PHE 19 3.748 6.158 2.950 149 H LYS 20 HN LYS 20 4.221 -1.899 2.023 150 HA LYS 20 HA LYS 20 6.606 -1.818 3.590 151 1HB LYS 20 HB2 LYS 20 4.577 -3.471 3.490 152 2HB LYS 20 HB1 LYS 20 5.523 -4.300 2.253 153 1HG LYS 20 HG2 LYS 20 6.336 -5.398 4.109 154 2HG LYS 20 HG1 LYS 20 7.448 -4.029 4.098 155 1HD LYS 20 HD2 LYS 20 6.747 -3.790 6.259 156 2HD LYS 20 HD1 LYS 20 5.392 -2.951 5.503 157 1HE LYS 20 HE2 LYS 20 3.982 -4.508 6.351 158 2HE LYS 20 HE1 LYS 20 4.830 -5.762 5.425 159 1HZ LYS 20 HZ1 LYS 20 5.695 -4.676 8.058 160 2HZ LYS 20 HZ2 LYS 20 6.511 -5.868 7.161 161 3HZ LYS 20 HZ3 LYS 20 4.974 -6.192 7.809 162 H THR 21 HN THR 21 6.027 -3.001 0.252 163 HA THR 21 HA THR 21 8.762 -3.813 -0.236 164 HB THR 21 HB THR 21 6.562 -2.963 -2.155 165 HG1 THR 21 HG1 THR 21 5.619 -4.685 -1.450 166 1HG2 THR 21 HG21 THR 21 8.761 -3.169 -3.226 167 2HG2 THR 21 HG22 THR 21 7.713 -4.499 -3.720 168 3HG2 THR 21 HG23 THR 21 8.971 -4.770 -2.514 169 H TRP 22 HN TRP 22 6.966 -0.776 -0.702 170 HA TRP 22 HA TRP 22 8.830 0.680 -2.281 171 1HB TRP 22 HB2 TRP 22 6.452 1.246 -1.442 172 2HB TRP 22 HB1 TRP 22 7.232 1.792 0.038 173 HD1 TRP 22 HD1 TRP 22 6.750 2.707 -3.609 174 HE1 TRP 22 HE1 TRP 22 7.698 5.070 -4.019 175 HE3 TRP 22 HE3 TRP 22 9.073 3.515 0.866 176 HZ2 TRP 22 HZ2 TRP 22 9.238 7.042 -2.630 177 HZ3 TRP 22 HZ3 TRP 22 10.270 5.642 1.296 178 HH2 TRP 22 HH2 TRP 22 10.357 7.404 -0.445 179 H LEU 23 HN LEU 23 8.564 0.389 1.266 180 HA LEU 23 HA LEU 23 10.836 1.991 1.957 181 1HB LEU 23 HB2 LEU 23 9.038 -0.011 3.191 182 2HB LEU 23 HB1 LEU 23 10.627 0.100 3.946 183 HG LEU 23 HG LEU 23 10.211 2.684 3.851 184 1HD1 LEU 23 HD11 LEU 23 8.159 2.478 2.447 185 2HD1 LEU 23 HD12 LEU 23 7.850 3.309 3.971 186 3HD1 LEU 23 HD13 LEU 23 7.368 1.624 3.773 187 1HD2 LEU 23 HD21 LEU 23 9.059 2.564 6.047 188 2HD2 LEU 23 HD22 LEU 23 10.353 1.373 5.931 189 3HD2 LEU 23 HD23 LEU 23 8.673 0.871 5.741 190 H LYS 24 HN LYS 24 10.521 -1.524 1.330 191 HA LYS 24 HA LYS 24 13.276 -2.199 1.862 192 1HB LYS 24 HB2 LYS 24 10.916 -3.398 0.443 193 2HB LYS 24 HB1 LYS 24 12.499 -4.144 0.224 194 1HG LYS 24 HG2 LYS 24 12.317 -3.653 2.981 195 2HG LYS 24 HG1 LYS 24 10.725 -4.258 2.524 196 1HD LYS 24 HD2 LYS 24 13.193 -5.645 1.510 197 2HD LYS 24 HD1 LYS 24 12.619 -5.967 3.145 198 1HE LYS 24 HE2 LYS 24 10.727 -7.064 2.411 199 2HE LYS 24 HE1 LYS 24 10.572 -6.042 0.968 200 1HZ LYS 24 HZ1 LYS 24 11.333 -8.236 0.336 201 2HZ LYS 24 HZ2 LYS 24 12.639 -8.136 1.421 202 3HZ LYS 24 HZ3 LYS 24 12.571 -7.108 0.068 203 H ALA 25 HN ALA 25 11.528 -1.179 -1.066 204 HA ALA 25 HA ALA 25 13.751 -1.552 -2.894 205 1HB ALA 25 HB1 ALA 25 11.329 -1.477 -3.493 206 2HB ALA 25 HB2 ALA 25 12.274 -0.306 -4.412 207 3HB ALA 25 HB3 ALA 25 11.295 0.229 -3.047 208 H LYS 26 HN LYS 26 12.676 1.086 -0.792 209 HA LYS 26 HA LYS 26 14.167 3.233 -1.963 210 1HB LYS 26 HB2 LYS 26 12.309 3.322 -0.250 211 2HB LYS 26 HB1 LYS 26 13.471 2.764 0.954 212 1HG LYS 26 HG2 LYS 26 13.678 5.052 1.239 213 2HG LYS 26 HG1 LYS 26 14.908 4.788 0.004 214 1HD LYS 26 HD2 LYS 26 12.418 5.107 -1.342 215 2HD LYS 26 HD1 LYS 26 12.545 6.407 -0.156 216 1HE LYS 26 HE2 LYS 26 15.003 6.645 -1.083 217 2HE LYS 26 HE1 LYS 26 14.336 5.809 -2.499 218 1HZ LYS 26 HZ1 LYS 26 12.552 7.425 -2.593 219 2HZ LYS 26 HZ2 LYS 26 14.049 8.225 -2.659 220 3HZ LYS 26 HZ3 LYS 26 13.150 8.219 -1.218 221 H LEU 27 HN LEU 27 15.045 0.836 0.547 222 HA LEU 27 HA LEU 27 17.760 1.991 0.792 223 1HB LEU 27 HB2 LEU 27 17.976 0.349 2.593 224 2HB LEU 27 HB1 LEU 27 16.435 1.190 2.742 225 HG LEU 27 HG LEU 27 15.738 -0.923 1.141 226 1HD1 LEU 27 HD11 LEU 27 16.833 -2.801 2.764 227 2HD1 LEU 27 HD12 LEU 27 18.164 -1.647 2.688 228 3HD1 LEU 27 HD13 LEU 27 17.522 -2.352 1.204 229 1HD2 LEU 27 HD21 LEU 27 14.581 -1.745 3.063 230 2HD2 LEU 27 HD22 LEU 27 14.715 -0.003 3.305 231 3HD2 LEU 27 HD23 LEU 27 15.800 -1.099 4.162 232 H MET 28 HN MET 28 16.355 -0.035 -1.443 233 HA MET 28 HA MET 28 18.505 -2.037 -1.634 234 1HB MET 28 HB2 MET 28 15.845 -1.487 -2.758 235 2HB MET 28 HB1 MET 28 16.975 -2.137 -3.946 236 1HG MET 28 HG2 MET 28 17.556 -3.890 -2.124 237 2HG MET 28 HG1 MET 28 16.055 -3.376 -1.354 238 1HE MET 28 HE1 MET 28 16.682 -5.570 -5.305 239 2HE MET 28 HE2 MET 28 17.607 -5.800 -3.823 240 3HE MET 28 HE3 MET 28 17.685 -4.258 -4.672 241 HA PRO 29 HA PRO 29 20.857 0.863 -4.137 242 1HB PRO 29 HB2 PRO 29 23.097 -0.694 -4.339 243 2HB PRO 29 HB1 PRO 29 22.713 0.272 -2.903 244 1HG PRO 29 HG2 PRO 29 22.395 -2.643 -3.366 245 2HG PRO 29 HG1 PRO 29 22.839 -1.775 -1.888 246 1HD PRO 29 HD2 PRO 29 20.338 -2.800 -2.399 247 2HD PRO 29 HD1 PRO 29 20.670 -1.469 -1.269 248 H GLN 30 HN GLN 30 22.392 0.321 -6.205 249 HA GLN 30 HA GLN 30 21.048 -1.753 -7.900 250 1HB GLN 30 HB2 GLN 30 20.931 1.156 -8.056 251 2HB GLN 30 HB1 GLN 30 21.565 0.461 -9.547 252 1HG GLN 30 HG2 GLN 30 19.024 -0.486 -8.189 253 2HG GLN 30 HG1 GLN 30 19.057 0.672 -9.518 254 1HE2 GLN 30 HE21 GLN 30 20.594 -0.251 -11.454 255 2HE2 GLN 30 HE22 GLN 30 20.266 -1.861 -11.878 256 H LEU 31 HN LEU 31 22.412 -2.627 -9.536 257 HA LEU 31 HA LEU 31 25.208 -1.597 -9.715 258 1HB LEU 31 HB2 LEU 31 24.611 -3.564 -7.986 259 2HB LEU 31 HB1 LEU 31 24.780 -4.543 -9.442 260 HG LEU 31 HG LEU 31 26.893 -2.503 -8.940 261 1HD1 LEU 31 HD11 LEU 31 28.090 -4.074 -7.424 262 2HD1 LEU 31 HD12 LEU 31 26.647 -5.087 -7.368 263 3HD1 LEU 31 HD13 LEU 31 26.604 -3.454 -6.703 264 1HD2 LEU 31 HD21 LEU 31 28.298 -4.331 -9.857 265 2HD2 LEU 31 HD22 LEU 31 26.938 -3.969 -10.920 266 3HD2 LEU 31 HD23 LEU 31 26.889 -5.392 -9.879 Start of MODEL 41 1 1H SER 1 HT1 SER 1 -18.842 9.730 -7.041 2 2H SER 1 HT2 SER 1 -18.061 8.459 -7.852 3 3H SER 1 HT3 SER 1 -17.599 8.871 -6.269 4 HA SER 1 HA SER 1 -20.274 7.791 -7.024 5 1HB SER 1 HB2 SER 1 -18.493 6.169 -7.390 6 2HB SER 1 HB1 SER 1 -17.765 6.561 -5.835 7 HG SER 1 HG SER 1 -19.860 4.911 -6.439 8 H GLY 2 HN GLY 2 -21.474 7.141 -5.052 9 1HA GLY 2 HA2 GLY 2 -21.023 9.053 -2.837 10 2HA GLY 2 HA1 GLY 2 -22.476 8.084 -3.084 11 H SER 3 HN SER 3 -21.526 5.528 -3.259 12 HA SER 3 HA SER 3 -20.549 5.040 -0.497 13 1HB SER 3 HB2 SER 3 -21.253 2.692 -1.108 14 2HB SER 3 HB1 SER 3 -22.545 3.880 -1.252 15 HG SER 3 HG SER 3 -22.320 2.450 -3.086 16 H TRP 4 HN TRP 4 -18.456 6.072 -1.892 17 HA TRP 4 HA TRP 4 -16.889 3.852 -3.094 18 1HB TRP 4 HB2 TRP 4 -17.200 6.549 -3.627 19 2HB TRP 4 HB1 TRP 4 -15.650 6.503 -2.787 20 HD1 TRP 4 HD1 TRP 4 -17.288 4.165 -5.418 21 HE1 TRP 4 HE1 TRP 4 -15.555 3.720 -7.274 22 HE3 TRP 4 HE3 TRP 4 -13.403 7.003 -3.699 23 HZ2 TRP 4 HZ2 TRP 4 -12.875 4.465 -7.939 24 HZ3 TRP 4 HZ3 TRP 4 -11.275 7.116 -4.963 25 HH2 TRP 4 HH2 TRP 4 -11.006 5.853 -7.079 26 H LEU 5 HN LEU 5 -17.263 5.387 -0.030 27 HA LEU 5 HA LEU 5 -14.621 5.345 1.025 28 1HB LEU 5 HB2 LEU 5 -17.399 5.010 2.173 29 2HB LEU 5 HB1 LEU 5 -15.976 4.982 3.215 30 HG LEU 5 HG LEU 5 -16.243 7.215 1.237 31 1HD1 LEU 5 HD11 LEU 5 -17.788 6.950 3.828 32 2HD1 LEU 5 HD12 LEU 5 -18.437 7.251 2.216 33 3HD1 LEU 5 HD13 LEU 5 -17.493 8.496 3.035 34 1HD2 LEU 5 HD21 LEU 5 -14.210 6.962 2.620 35 2HD2 LEU 5 HD22 LEU 5 -15.198 7.006 4.081 36 3HD2 LEU 5 HD23 LEU 5 -15.082 8.433 3.050 37 H ARG 6 HN ARG 6 -17.009 2.734 0.655 38 HA ARG 6 HA ARG 6 -15.430 0.768 2.146 39 1HB ARG 6 HB2 ARG 6 -18.050 1.054 1.272 40 2HB ARG 6 HB1 ARG 6 -17.417 -0.187 0.191 41 1HG ARG 6 HG2 ARG 6 -18.181 -1.444 2.020 42 2HG ARG 6 HG1 ARG 6 -16.462 -1.259 2.373 43 1HD ARG 6 HD2 ARG 6 -16.848 0.362 4.040 44 2HD ARG 6 HD1 ARG 6 -18.461 0.755 3.413 45 HE ARG 6 HE ARG 6 -17.774 -1.784 4.840 46 1HH1 ARG 6 HH11 ARG 6 -19.528 0.199 6.189 47 2HH1 ARG 6 HH12 ARG 6 -21.116 -0.371 5.800 48 1HH2 ARG 6 HH21 ARG 6 -20.034 -2.403 3.196 49 2HH2 ARG 6 HH22 ARG 6 -21.404 -1.851 4.100 50 H ASP 7 HN ASP 7 -15.896 1.701 -1.244 51 HA ASP 7 HA ASP 7 -14.421 -0.484 -2.433 52 1HB ASP 7 HB2 ASP 7 -16.086 0.913 -3.601 53 2HB ASP 7 HB1 ASP 7 -15.065 2.332 -3.380 54 H ILE 8 HN ILE 8 -13.507 2.792 -1.333 55 HA ILE 8 HA ILE 8 -10.873 2.866 -2.423 56 HB ILE 8 HB ILE 8 -12.395 4.655 -1.243 57 1HG1 ILE 8 HG12 ILE 8 -10.159 5.805 -0.435 58 2HG1 ILE 8 HG11 ILE 8 -9.401 4.406 -1.194 59 1HG2 ILE 8 HG21 ILE 8 -12.142 3.164 0.945 60 2HG2 ILE 8 HG22 ILE 8 -12.219 4.922 1.051 61 3HG2 ILE 8 HG23 ILE 8 -10.661 4.100 1.134 62 1HD1 ILE 8 HD11 ILE 8 -10.621 4.908 -3.297 63 2HD1 ILE 8 HD12 ILE 8 -9.581 6.246 -2.809 64 3HD1 ILE 8 HD13 ILE 8 -11.321 6.335 -2.534 65 H TRP 9 HN TRP 9 -12.139 1.166 0.395 66 HA TRP 9 HA TRP 9 -9.762 0.785 1.897 67 1HB TRP 9 HB2 TRP 9 -12.119 0.201 2.539 68 2HB TRP 9 HB1 TRP 9 -12.032 -1.176 1.440 69 HD1 TRP 9 HD1 TRP 9 -11.784 -3.239 2.925 70 HE1 TRP 9 HE1 TRP 9 -10.223 -3.934 4.854 71 HE3 TRP 9 HE3 TRP 9 -9.270 1.148 3.656 72 HZ2 TRP 9 HZ2 TRP 9 -8.179 -2.783 6.491 73 HZ3 TRP 9 HZ3 TRP 9 -7.523 1.320 5.402 74 HH2 TRP 9 HH2 TRP 9 -6.974 -0.638 6.820 75 H ASP 10 HN ASP 10 -11.040 -1.100 -0.868 76 HA ASP 10 HA ASP 10 -9.032 -3.148 -0.866 77 1HB ASP 10 HB2 ASP 10 -11.056 -3.414 -2.134 78 2HB ASP 10 HB1 ASP 10 -10.799 -1.894 -2.987 79 H TRP 11 HN TRP 11 -9.222 -0.032 -2.634 80 HA TRP 11 HA TRP 11 -6.733 -0.206 -4.017 81 1HB TRP 11 HB2 TRP 11 -8.521 1.440 -4.464 82 2HB TRP 11 HB1 TRP 11 -8.251 2.177 -2.886 83 HD1 TRP 11 HD1 TRP 11 -6.768 1.908 -6.374 84 HE1 TRP 11 HE1 TRP 11 -4.886 3.652 -6.624 85 HE3 TRP 11 HE3 TRP 11 -6.428 3.538 -1.547 86 HZ2 TRP 11 HZ2 TRP 11 -3.428 5.493 -4.991 87 HZ3 TRP 11 HZ3 TRP 11 -4.787 5.285 -0.922 88 HH2 TRP 11 HH2 TRP 11 -3.287 6.264 -2.636 89 H ILE 12 HN ILE 12 -7.525 1.023 -0.759 90 HA ILE 12 HA ILE 12 -4.920 2.006 -0.069 91 HB ILE 12 HB ILE 12 -7.285 0.923 1.495 92 1HG1 ILE 12 HG12 ILE 12 -6.265 3.756 1.449 93 2HG1 ILE 12 HG11 ILE 12 -7.256 3.155 0.119 94 1HG2 ILE 12 HG21 ILE 12 -6.051 2.289 3.393 95 2HG2 ILE 12 HG22 ILE 12 -4.612 1.908 2.448 96 3HG2 ILE 12 HG23 ILE 12 -5.614 0.606 3.090 97 1HD1 ILE 12 HD11 ILE 12 -8.029 3.121 3.052 98 2HD1 ILE 12 HD12 ILE 12 -9.012 2.496 1.728 99 3HD1 ILE 12 HD13 ILE 12 -8.666 4.223 1.831 100 H CYS 13 HN CYS 13 -6.401 -1.224 0.121 101 HA CYS 13 HA CYS 13 -4.269 -2.501 1.600 102 1HB CYS 13 HB2 CYS 13 -6.759 -3.171 1.044 103 2HB CYS 13 HB1 CYS 13 -6.043 -3.891 -0.397 104 HG CYS 13 HG CYS 13 -5.003 -4.692 2.442 105 H GLU 14 HN GLU 14 -4.955 -2.095 -1.890 106 HA GLU 14 HA GLU 14 -2.838 -3.735 -2.900 107 1HB GLU 14 HB2 GLU 14 -4.725 -1.672 -3.814 108 2HB GLU 14 HB1 GLU 14 -3.217 -1.689 -4.724 109 1HG GLU 14 HG2 GLU 14 -4.577 -4.298 -4.154 110 2HG GLU 14 HG1 GLU 14 -5.226 -3.267 -5.428 111 H VAL 15 HN VAL 15 -2.957 -0.344 -1.908 112 HA VAL 15 HA VAL 15 -0.191 0.229 -2.696 113 HB VAL 15 HB VAL 15 -2.170 1.701 -0.911 114 1HG1 VAL 15 HG11 VAL 15 -0.217 2.827 -0.449 115 2HG1 VAL 15 HG12 VAL 15 -0.630 3.637 -1.961 116 3HG1 VAL 15 HG13 VAL 15 0.553 2.328 -1.956 117 1HG2 VAL 15 HG21 VAL 15 -3.256 2.294 -2.796 118 2HG2 VAL 15 HG22 VAL 15 -2.220 1.200 -3.712 119 3HG2 VAL 15 HG23 VAL 15 -1.754 2.888 -3.503 120 H LEU 16 HN LEU 16 -1.919 -0.781 0.225 121 HA LEU 16 HA LEU 16 0.066 -0.272 2.201 122 1HB LEU 16 HB2 LEU 16 -2.461 -1.401 2.036 123 2HB LEU 16 HB1 LEU 16 -1.459 -2.774 2.493 124 HG LEU 16 HG LEU 16 -2.253 -1.668 4.510 125 1HD1 LEU 16 HD11 LEU 16 0.158 -2.519 4.320 126 2HD1 LEU 16 HD12 LEU 16 -0.168 -1.375 5.623 127 3HD1 LEU 16 HD13 LEU 16 0.630 -0.827 4.149 128 1HD2 LEU 16 HD21 LEU 16 -0.812 0.837 3.619 129 2HD2 LEU 16 HD22 LEU 16 -1.954 0.650 4.950 130 3HD2 LEU 16 HD23 LEU 16 -2.524 0.580 3.283 131 H SER 17 HN SER 17 -0.452 -3.184 0.163 132 HA SER 17 HA SER 17 1.747 -4.701 1.247 133 1HB SER 17 HB2 SER 17 1.436 -5.971 -0.932 134 2HB SER 17 HB1 SER 17 -0.038 -5.764 0.007 135 HG SER 17 HG SER 17 0.651 -4.774 -2.458 136 H ASP 18 HN ASP 18 1.453 -2.486 -1.534 137 HA ASP 18 HA ASP 18 4.143 -2.807 -2.515 138 1HB ASP 18 HB2 ASP 18 2.271 -1.846 -3.809 139 2HB ASP 18 HB1 ASP 18 2.172 -0.497 -2.676 140 H PHE 19 HN PHE 19 2.649 -0.428 -0.287 141 HA PHE 19 HA PHE 19 4.870 1.245 0.191 142 1HB PHE 19 HB2 PHE 19 2.299 0.632 1.322 143 2HB PHE 19 HB1 PHE 19 3.464 0.778 2.634 144 HD1 PHE 19 HD1 PHE 19 2.548 2.500 -0.577 145 HD2 PHE 19 HD2 PHE 19 3.911 2.904 3.478 146 HE1 PHE 19 HE1 PHE 19 2.504 4.969 -0.806 147 HE2 PHE 19 HE2 PHE 19 3.866 5.372 3.247 148 HZ PHE 19 HZ PHE 19 3.162 6.404 1.105 149 H LYS 20 HN LYS 20 4.065 -1.915 1.634 150 HA LYS 20 HA LYS 20 6.147 -1.991 3.605 151 1HB LYS 20 HB2 LYS 20 4.048 -3.609 2.646 152 2HB LYS 20 HB1 LYS 20 5.508 -4.572 2.421 153 1HG LYS 20 HG2 LYS 20 5.000 -5.115 4.617 154 2HG LYS 20 HG1 LYS 20 6.048 -3.720 4.876 155 1HD LYS 20 HD2 LYS 20 4.317 -2.899 6.097 156 2HD LYS 20 HD1 LYS 20 3.601 -2.517 4.532 157 1HE LYS 20 HE2 LYS 20 3.192 -5.188 5.923 158 2HE LYS 20 HE1 LYS 20 2.068 -3.824 6.077 159 1HZ LYS 20 HZ1 LYS 20 1.258 -4.976 4.239 160 2HZ LYS 20 HZ2 LYS 20 2.810 -5.337 3.646 161 3HZ LYS 20 HZ3 LYS 20 2.197 -3.755 3.529 162 H THR 21 HN THR 21 6.060 -3.012 0.175 163 HA THR 21 HA THR 21 8.834 -3.985 0.232 164 HB THR 21 HB THR 21 7.147 -3.355 -2.199 165 HG1 THR 21 HG1 THR 21 6.963 -5.584 -0.453 166 1HG2 THR 21 HG21 THR 21 8.980 -5.697 -1.673 167 2HG2 THR 21 HG22 THR 21 9.571 -4.169 -2.327 168 3HG2 THR 21 HG23 THR 21 8.381 -5.111 -3.224 169 H TRP 22 HN TRP 22 7.094 -1.078 -0.858 170 HA TRP 22 HA TRP 22 9.160 0.244 -2.292 171 1HB TRP 22 HB2 TRP 22 6.665 0.823 -1.876 172 2HB TRP 22 HB1 TRP 22 7.222 1.584 -0.391 173 HD1 TRP 22 HD1 TRP 22 7.091 2.064 -4.120 174 HE1 TRP 22 HE1 TRP 22 8.106 4.355 -4.730 175 HE3 TRP 22 HE3 TRP 22 9.109 3.367 0.388 176 HZ2 TRP 22 HZ2 TRP 22 9.578 6.461 -3.473 177 HZ3 TRP 22 HZ3 TRP 22 10.308 5.518 0.653 178 HH2 TRP 22 HH2 TRP 22 10.545 7.066 -1.269 179 H LEU 23 HN LEU 23 8.326 0.435 1.178 180 HA LEU 23 HA LEU 23 10.509 2.122 1.975 181 1HB LEU 23 HB2 LEU 23 8.628 0.178 3.296 182 2HB LEU 23 HB1 LEU 23 9.945 0.879 4.235 183 HG LEU 23 HG LEU 23 8.101 2.616 2.594 184 1HD1 LEU 23 HD11 LEU 23 7.733 1.760 5.483 185 2HD1 LEU 23 HD12 LEU 23 6.698 1.293 4.135 186 3HD1 LEU 23 HD13 LEU 23 6.774 2.979 4.644 187 1HD2 LEU 23 HD21 LEU 23 8.836 4.318 4.230 188 2HD2 LEU 23 HD22 LEU 23 10.219 3.585 3.420 189 3HD2 LEU 23 HD23 LEU 23 9.802 3.100 5.063 190 H LYS 24 HN LYS 24 10.190 -1.434 1.782 191 HA LYS 24 HA LYS 24 12.737 -2.080 2.965 192 1HB LYS 24 HB2 LYS 24 10.609 -3.383 1.342 193 2HB LYS 24 HB1 LYS 24 12.195 -4.151 1.286 194 1HG LYS 24 HG2 LYS 24 11.435 -3.362 4.001 195 2HG LYS 24 HG1 LYS 24 10.293 -4.500 3.285 196 1HD LYS 24 HD2 LYS 24 11.743 -6.190 3.599 197 2HD LYS 24 HD1 LYS 24 12.953 -5.352 2.627 198 1HE LYS 24 HE2 LYS 24 14.173 -5.035 4.510 199 2HE LYS 24 HE1 LYS 24 12.864 -4.020 5.148 200 1HZ LYS 24 HZ1 LYS 24 13.235 -5.909 6.602 201 2HZ LYS 24 HZ2 LYS 24 13.012 -6.989 5.310 202 3HZ LYS 24 HZ3 LYS 24 11.714 -6.041 5.864 203 H ALA 25 HN ALA 25 11.707 -1.441 -0.390 204 HA ALA 25 HA ALA 25 14.207 -2.090 -1.664 205 1HB ALA 25 HB1 ALA 25 13.179 -1.046 -3.566 206 2HB ALA 25 HB2 ALA 25 12.150 -0.046 -2.540 207 3HB ALA 25 HB3 ALA 25 11.864 -1.783 -2.651 208 H LYS 26 HN LYS 26 12.904 0.942 -0.298 209 HA LYS 26 HA LYS 26 15.106 2.617 -1.177 210 1HB LYS 26 HB2 LYS 26 12.604 3.035 -0.267 211 2HB LYS 26 HB1 LYS 26 13.482 3.272 1.243 212 1HG LYS 26 HG2 LYS 26 14.660 4.612 -1.124 213 2HG LYS 26 HG1 LYS 26 13.094 5.239 -0.604 214 1HD LYS 26 HD2 LYS 26 14.071 5.300 1.764 215 2HD LYS 26 HD1 LYS 26 15.643 5.037 1.009 216 1HE LYS 26 HE2 LYS 26 14.793 7.071 -0.540 217 2HE LYS 26 HE1 LYS 26 13.896 7.456 0.941 218 1HZ LYS 26 HZ1 LYS 26 16.047 8.435 1.138 219 2HZ LYS 26 HZ2 LYS 26 16.821 6.993 0.681 220 3HZ LYS 26 HZ3 LYS 26 16.016 7.093 2.175 221 H LEU 27 HN LEU 27 14.457 0.701 1.748 222 HA LEU 27 HA LEU 27 16.831 1.765 3.144 223 1HB LEU 27 HB2 LEU 27 14.541 1.071 4.115 224 2HB LEU 27 HB1 LEU 27 15.102 -0.589 3.923 225 HG LEU 27 HG LEU 27 17.212 0.190 5.210 226 1HD1 LEU 27 HD11 LEU 27 16.149 2.660 4.947 227 2HD1 LEU 27 HD12 LEU 27 17.210 2.218 6.282 228 3HD1 LEU 27 HD13 LEU 27 15.462 2.215 6.508 229 1HD2 LEU 27 HD21 LEU 27 15.657 0.203 7.415 230 2HD2 LEU 27 HD22 LEU 27 15.972 -1.264 6.488 231 3HD2 LEU 27 HD23 LEU 27 14.473 -0.368 6.240 232 H MET 28 HN MET 28 18.659 1.069 2.010 233 HA MET 28 HA MET 28 19.339 -1.796 2.231 234 1HB MET 28 HB2 MET 28 18.125 -0.780 -0.077 235 2HB MET 28 HB1 MET 28 19.840 -0.832 -0.483 236 1HG MET 28 HG2 MET 28 19.817 -3.082 -0.624 237 2HG MET 28 HG1 MET 28 19.024 -3.232 0.944 238 1HE MET 28 HE1 MET 28 19.015 -4.513 -2.028 239 2HE MET 28 HE2 MET 28 18.450 -3.167 -3.013 240 3HE MET 28 HE3 MET 28 17.416 -4.574 -2.779 241 HA PRO 29 HA PRO 29 23.325 0.058 2.667 242 1HB PRO 29 HB2 PRO 29 24.901 -2.144 2.268 243 2HB PRO 29 HB1 PRO 29 23.952 -1.892 3.742 244 1HG PRO 29 HG2 PRO 29 23.429 -3.672 1.437 245 2HG PRO 29 HG1 PRO 29 23.033 -3.888 3.147 246 1HD PRO 29 HD2 PRO 29 21.252 -3.113 1.165 247 2HD PRO 29 HD1 PRO 29 21.010 -2.898 2.912 248 H GLN 30 HN GLN 30 25.680 -0.649 1.309 249 HA GLN 30 HA GLN 30 25.387 0.696 -1.223 250 1HB GLN 30 HB2 GLN 30 27.563 -0.942 0.104 251 2HB GLN 30 HB1 GLN 30 27.799 -0.164 -1.461 252 1HG GLN 30 HG2 GLN 30 26.706 1.870 0.059 253 2HG GLN 30 HG1 GLN 30 27.728 1.027 1.223 254 1HE2 GLN 30 HE21 GLN 30 29.932 1.550 1.154 255 2HE2 GLN 30 HE22 GLN 30 30.698 2.322 -0.149 256 H LEU 31 HN LEU 31 25.749 -2.750 -0.347 257 HA LEU 31 HA LEU 31 25.452 -3.533 -3.204 258 1HB LEU 31 HB2 LEU 31 26.205 -5.706 -2.409 259 2HB LEU 31 HB1 LEU 31 27.245 -4.467 -1.709 260 HG LEU 31 HG LEU 31 25.116 -4.735 0.108 261 1HD1 LEU 31 HD11 LEU 31 26.121 -7.437 -0.839 262 2HD1 LEU 31 HD12 LEU 31 24.468 -6.838 -0.978 263 3HD1 LEU 31 HD13 LEU 31 25.156 -7.167 0.612 264 1HD2 LEU 31 HD21 LEU 31 27.986 -5.664 0.023 265 2HD2 LEU 31 HD22 LEU 31 26.980 -5.957 1.441 266 3HD2 LEU 31 HD23 LEU 31 27.296 -4.305 0.911 Start of MODEL 42 1 1H SER 1 HT1 SER 1 -19.624 9.460 -8.639 2 2H SER 1 HT2 SER 1 -20.419 8.024 -9.079 3 3H SER 1 HT3 SER 1 -18.901 8.396 -9.745 4 HA SER 1 HA SER 1 -18.482 6.770 -8.093 5 1HB SER 1 HB2 SER 1 -17.180 9.029 -8.272 6 2HB SER 1 HB1 SER 1 -17.950 9.412 -6.735 7 HG SER 1 HG SER 1 -15.795 7.997 -7.099 8 H GLY 2 HN GLY 2 -20.128 9.551 -6.491 9 1HA GLY 2 HA2 GLY 2 -21.773 9.555 -4.813 10 2HA GLY 2 HA1 GLY 2 -22.024 7.840 -5.135 11 H SER 3 HN SER 3 -21.624 6.621 -3.362 12 HA SER 3 HA SER 3 -19.722 7.615 -1.297 13 1HB SER 3 HB2 SER 3 -22.236 6.553 -1.178 14 2HB SER 3 HB1 SER 3 -21.264 5.110 -0.910 15 HG SER 3 HG SER 3 -21.540 6.040 1.066 16 H TRP 4 HN TRP 4 -17.941 7.036 -2.960 17 HA TRP 4 HA TRP 4 -17.362 4.118 -3.113 18 1HB TRP 4 HB2 TRP 4 -17.163 6.239 -4.873 19 2HB TRP 4 HB1 TRP 4 -15.500 6.059 -4.319 20 HD1 TRP 4 HD1 TRP 4 -18.299 3.562 -5.322 21 HE1 TRP 4 HE1 TRP 4 -17.253 1.778 -6.860 22 HE3 TRP 4 HE3 TRP 4 -13.481 5.248 -5.480 23 HZ2 TRP 4 HZ2 TRP 4 -14.709 1.150 -8.009 24 HZ3 TRP 4 HZ3 TRP 4 -11.770 4.040 -6.803 25 HH2 TRP 4 HH2 TRP 4 -12.376 1.996 -8.067 26 H LEU 5 HN LEU 5 -17.044 5.865 -0.591 27 HA LEU 5 HA LEU 5 -14.231 6.243 -0.076 28 1HB LEU 5 HB2 LEU 5 -16.358 7.172 1.092 29 2HB LEU 5 HB1 LEU 5 -16.372 5.645 1.975 30 HG LEU 5 HG LEU 5 -13.923 6.143 2.565 31 1HD1 LEU 5 HD11 LEU 5 -13.358 8.580 2.528 32 2HD1 LEU 5 HD12 LEU 5 -14.813 8.870 1.576 33 3HD1 LEU 5 HD13 LEU 5 -13.507 7.889 0.913 34 1HD2 LEU 5 HD21 LEU 5 -14.569 7.438 4.484 35 2HD2 LEU 5 HD22 LEU 5 -15.951 6.423 4.077 36 3HD2 LEU 5 HD23 LEU 5 -15.950 8.129 3.630 37 H ARG 6 HN ARG 6 -16.505 3.602 0.751 38 HA ARG 6 HA ARG 6 -14.592 1.926 2.094 39 1HB ARG 6 HB2 ARG 6 -17.355 1.896 1.181 40 2HB ARG 6 HB1 ARG 6 -16.592 0.333 0.906 41 1HG ARG 6 HG2 ARG 6 -16.446 -0.126 3.126 42 2HG ARG 6 HG1 ARG 6 -15.969 1.523 3.530 43 1HD ARG 6 HD2 ARG 6 -18.737 1.418 2.598 44 2HD ARG 6 HD1 ARG 6 -18.478 0.390 4.021 45 HE ARG 6 HE ARG 6 -17.505 3.224 3.973 46 1HH1 ARG 6 HH11 ARG 6 -17.032 1.324 6.313 47 2HH1 ARG 6 HH12 ARG 6 -18.288 1.809 7.401 48 1HH2 ARG 6 HH21 ARG 6 -20.076 3.546 4.978 49 2HH2 ARG 6 HH22 ARG 6 -20.020 3.071 6.643 50 H ASP 7 HN ASP 7 -15.591 2.243 -1.305 51 HA ASP 7 HA ASP 7 -14.307 -0.056 -2.391 52 1HB ASP 7 HB2 ASP 7 -15.217 2.644 -3.321 53 2HB ASP 7 HB1 ASP 7 -14.221 1.688 -4.411 54 H ILE 8 HN ILE 8 -13.088 3.229 -1.718 55 HA ILE 8 HA ILE 8 -10.485 2.868 -2.912 56 HB ILE 8 HB ILE 8 -11.622 4.720 -0.794 57 1HG1 ILE 8 HG12 ILE 8 -12.559 4.947 -3.071 58 2HG1 ILE 8 HG11 ILE 8 -11.590 6.356 -2.648 59 1HG2 ILE 8 HG21 ILE 8 -9.505 6.100 -1.621 60 2HG2 ILE 8 HG22 ILE 8 -8.858 4.488 -1.928 61 3HG2 ILE 8 HG23 ILE 8 -9.368 4.940 -0.300 62 1HD1 ILE 8 HD11 ILE 8 -10.766 5.900 -4.771 63 2HD1 ILE 8 HD12 ILE 8 -10.993 4.160 -4.599 64 3HD1 ILE 8 HD13 ILE 8 -9.647 4.958 -3.788 65 H TRP 9 HN TRP 9 -11.767 2.308 0.374 66 HA TRP 9 HA TRP 9 -9.349 1.866 1.778 67 1HB TRP 9 HB2 TRP 9 -11.643 2.010 2.738 68 2HB TRP 9 HB1 TRP 9 -12.015 0.433 2.042 69 HD1 TRP 9 HD1 TRP 9 -12.015 -1.245 3.954 70 HE1 TRP 9 HE1 TRP 9 -10.435 -1.809 5.911 71 HE3 TRP 9 HE3 TRP 9 -8.584 2.505 3.435 72 HZ2 TRP 9 HZ2 TRP 9 -8.035 -0.805 7.099 73 HZ3 TRP 9 HZ3 TRP 9 -6.664 2.676 4.990 74 HH2 TRP 9 HH2 TRP 9 -6.385 1.027 6.820 75 H ASP 10 HN ASP 10 -11.225 -0.387 -0.267 76 HA ASP 10 HA ASP 10 -9.663 -2.742 0.268 77 1HB ASP 10 HB2 ASP 10 -11.937 -2.584 -0.816 78 2HB ASP 10 HB1 ASP 10 -11.151 -1.938 -2.257 79 H TRP 11 HN TRP 11 -9.458 -0.268 -2.325 80 HA TRP 11 HA TRP 11 -7.180 -1.372 -3.674 81 1HB TRP 11 HB2 TRP 11 -8.713 0.372 -4.568 82 2HB TRP 11 HB1 TRP 11 -8.100 1.511 -3.368 83 HD1 TRP 11 HD1 TRP 11 -6.741 -0.694 -6.240 84 HE1 TRP 11 HE1 TRP 11 -4.734 0.524 -7.306 85 HE3 TRP 11 HE3 TRP 11 -6.454 3.380 -3.177 86 HZ2 TRP 11 HZ2 TRP 11 -3.209 2.913 -6.911 87 HZ3 TRP 11 HZ3 TRP 11 -4.717 5.109 -3.543 88 HH2 TRP 11 HH2 TRP 11 -3.095 4.881 -5.404 89 H ILE 12 HN ILE 12 -7.498 0.841 -0.897 90 HA ILE 12 HA ILE 12 -4.763 1.618 -0.629 91 HB ILE 12 HB ILE 12 -7.133 1.279 1.211 92 1HG1 ILE 12 HG12 ILE 12 -5.469 3.719 0.529 93 2HG1 ILE 12 HG11 ILE 12 -6.865 3.209 -0.421 94 1HG2 ILE 12 HG21 ILE 12 -4.313 2.056 2.015 95 2HG2 ILE 12 HG22 ILE 12 -5.281 0.732 2.664 96 3HG2 ILE 12 HG23 ILE 12 -5.737 2.403 2.996 97 1HD1 ILE 12 HD11 ILE 12 -8.318 3.416 1.531 98 2HD1 ILE 12 HD12 ILE 12 -7.453 4.933 1.282 99 3HD1 ILE 12 HD13 ILE 12 -6.935 3.819 2.549 100 H CYS 13 HN CYS 13 -6.516 -1.300 0.385 101 HA CYS 13 HA CYS 13 -4.441 -2.483 1.990 102 1HB CYS 13 HB2 CYS 13 -6.868 -3.114 1.911 103 2HB CYS 13 HB1 CYS 13 -6.609 -3.784 0.301 104 HG CYS 13 HG CYS 13 -5.124 -5.633 1.311 105 H GLU 14 HN GLU 14 -5.197 -2.605 -1.501 106 HA GLU 14 HA GLU 14 -3.250 -4.575 -2.250 107 1HB GLU 14 HB2 GLU 14 -4.819 -2.372 -3.548 108 2HB GLU 14 HB1 GLU 14 -3.523 -3.129 -4.467 109 1HG GLU 14 HG2 GLU 14 -4.614 -5.149 -4.611 110 2HG GLU 14 HG1 GLU 14 -5.404 -4.949 -3.046 111 H VAL 15 HN VAL 15 -3.149 -1.021 -2.162 112 HA VAL 15 HA VAL 15 -0.446 -0.689 -3.070 113 HB VAL 15 HB VAL 15 -2.217 0.986 -1.251 114 1HG1 VAL 15 HG11 VAL 15 0.474 1.456 -2.477 115 2HG1 VAL 15 HG12 VAL 15 -0.158 1.994 -0.921 116 3HG1 VAL 15 HG13 VAL 15 -0.655 2.809 -2.404 117 1HG2 VAL 15 HG21 VAL 15 -2.677 2.242 -3.347 118 2HG2 VAL 15 HG22 VAL 15 -3.195 0.562 -3.471 119 3HG2 VAL 15 HG23 VAL 15 -1.697 1.082 -4.243 120 H LEU 16 HN LEU 16 -1.833 -1.449 0.089 121 HA LEU 16 HA LEU 16 0.384 -0.855 1.779 122 1HB LEU 16 HB2 LEU 16 -2.103 -1.618 2.201 123 2HB LEU 16 HB1 LEU 16 -1.423 -3.241 2.153 124 HG LEU 16 HG LEU 16 -1.573 -2.221 4.464 125 1HD1 LEU 16 HD11 LEU 16 0.177 -3.974 3.550 126 2HD1 LEU 16 HD12 LEU 16 0.366 -3.290 5.164 127 3HD1 LEU 16 HD13 LEU 16 1.322 -2.661 3.823 128 1HD2 LEU 16 HD21 LEU 16 0.842 -0.587 3.732 129 2HD2 LEU 16 HD22 LEU 16 -0.279 -0.379 5.078 130 3HD2 LEU 16 HD23 LEU 16 -0.769 0.073 3.446 131 H SER 17 HN SER 17 -0.394 -3.784 -0.126 132 HA SER 17 HA SER 17 1.726 -5.461 0.798 133 1HB SER 17 HB2 SER 17 -0.209 -5.314 -1.387 134 2HB SER 17 HB1 SER 17 1.315 -6.017 -1.920 135 HG SER 17 HG SER 17 -0.609 -7.110 -0.424 136 H ASP 18 HN ASP 18 1.597 -3.151 -1.935 137 HA ASP 18 HA ASP 18 4.379 -3.528 -2.702 138 1HB ASP 18 HB2 ASP 18 2.598 -2.737 -4.231 139 2HB ASP 18 HB1 ASP 18 2.389 -1.293 -3.239 140 H PHE 19 HN PHE 19 2.621 -1.317 -0.551 141 HA PHE 19 HA PHE 19 4.610 0.648 -0.075 142 1HB PHE 19 HB2 PHE 19 2.132 -0.306 1.047 143 2HB PHE 19 HB1 PHE 19 3.266 -0.002 2.359 144 HD1 PHE 19 HD1 PHE 19 3.126 2.126 3.278 145 HD2 PHE 19 HD2 PHE 19 2.410 1.618 -0.929 146 HE1 PHE 19 HE1 PHE 19 2.738 4.564 3.049 147 HE2 PHE 19 HE2 PHE 19 2.021 4.057 -1.154 148 HZ PHE 19 HZ PHE 19 2.185 5.529 0.833 149 H LYS 20 HN LYS 20 4.225 -2.633 1.214 150 HA LYS 20 HA LYS 20 6.186 -2.576 3.287 151 1HB LYS 20 HB2 LYS 20 4.469 -4.340 2.822 152 2HB LYS 20 HB1 LYS 20 5.394 -4.823 1.400 153 1HG LYS 20 HG2 LYS 20 7.256 -5.519 2.734 154 2HG LYS 20 HG1 LYS 20 6.589 -4.758 4.180 155 1HD LYS 20 HD2 LYS 20 6.210 -7.177 4.267 156 2HD LYS 20 HD1 LYS 20 4.671 -6.334 4.101 157 1HE LYS 20 HE2 LYS 20 4.239 -7.375 2.134 158 2HE LYS 20 HE1 LYS 20 5.827 -6.922 1.486 159 1HZ LYS 20 HZ1 LYS 20 6.826 -8.700 2.795 160 2HZ LYS 20 HZ2 LYS 20 5.656 -9.324 1.733 161 3HZ LYS 20 HZ3 LYS 20 5.300 -9.151 3.386 162 H THR 21 HN THR 21 6.466 -3.321 -0.206 163 HA THR 21 HA THR 21 9.370 -3.735 -0.054 164 HB THR 21 HB THR 21 8.760 -3.431 -2.710 165 HG1 THR 21 HG1 THR 21 6.613 -2.991 -2.417 166 1HG2 THR 21 HG21 THR 21 9.571 -5.449 -1.175 167 2HG2 THR 21 HG22 THR 21 8.967 -5.723 -2.809 168 3HG2 THR 21 HG23 THR 21 7.910 -5.985 -1.423 169 H TRP 22 HN TRP 22 7.144 -1.160 -1.092 170 HA TRP 22 HA TRP 22 9.017 0.651 -2.240 171 1HB TRP 22 HB2 TRP 22 6.391 0.612 -1.996 172 2HB TRP 22 HB1 TRP 22 6.701 1.525 -0.524 173 HD1 TRP 22 HD1 TRP 22 6.694 1.824 -4.278 174 HE1 TRP 22 HE1 TRP 22 7.232 4.256 -4.947 175 HE3 TRP 22 HE3 TRP 22 8.103 3.695 0.259 176 HZ2 TRP 22 HZ2 TRP 22 8.136 6.675 -3.719 177 HZ3 TRP 22 HZ3 TRP 22 8.797 6.064 0.482 178 HH2 TRP 22 HH2 TRP 22 8.815 7.554 -1.500 179 H LEU 23 HN LEU 23 7.809 0.439 1.121 180 HA LEU 23 HA LEU 23 9.488 2.493 2.219 181 1HB LEU 23 HB2 LEU 23 7.772 0.255 3.167 182 2HB LEU 23 HB1 LEU 23 8.974 0.842 4.316 183 HG LEU 23 HG LEU 23 7.603 3.032 2.948 184 1HD1 LEU 23 HD11 LEU 23 6.011 0.862 4.258 185 2HD1 LEU 23 HD12 LEU 23 5.583 1.901 2.899 186 3HD1 LEU 23 HD13 LEU 23 5.531 2.535 4.543 187 1HD2 LEU 23 HD21 LEU 23 9.011 3.206 5.000 188 2HD2 LEU 23 HD22 LEU 23 7.818 2.245 5.873 189 3HD2 LEU 23 HD23 LEU 23 7.383 3.838 5.252 190 H LYS 24 HN LYS 24 9.989 -1.017 1.772 191 HA LYS 24 HA LYS 24 12.409 -1.230 3.315 192 1HB LYS 24 HB2 LYS 24 10.969 -2.769 1.192 193 2HB LYS 24 HB1 LYS 24 12.648 -3.204 1.511 194 1HG LYS 24 HG2 LYS 24 12.076 -3.375 3.953 195 2HG LYS 24 HG1 LYS 24 10.383 -3.122 3.525 196 1HD LYS 24 HD2 LYS 24 10.267 -5.158 2.313 197 2HD LYS 24 HD1 LYS 24 12.024 -5.315 2.250 198 1HE LYS 24 HE2 LYS 24 12.084 -5.647 4.710 199 2HE LYS 24 HE1 LYS 24 10.314 -5.521 4.759 200 1HZ LYS 24 HZ1 LYS 24 11.261 -7.846 4.549 201 2HZ LYS 24 HZ2 LYS 24 11.716 -7.425 2.968 202 3HZ LYS 24 HZ3 LYS 24 10.076 -7.417 3.415 203 H ALA 25 HN ALA 25 11.801 -0.456 -0.117 204 HA ALA 25 HA ALA 25 14.553 -0.416 -0.969 205 1HB ALA 25 HB1 ALA 25 12.472 -0.530 -2.388 206 2HB ALA 25 HB2 ALA 25 13.615 0.704 -2.918 207 3HB ALA 25 HB3 ALA 25 12.178 1.168 -2.008 208 H LYS 26 HN LYS 26 12.397 2.093 0.374 209 HA LYS 26 HA LYS 26 14.308 4.267 0.059 210 1HB LYS 26 HB2 LYS 26 11.722 4.276 0.266 211 2HB LYS 26 HB1 LYS 26 11.995 4.122 2.003 212 1HG LYS 26 HG2 LYS 26 11.860 6.453 1.685 213 2HG LYS 26 HG1 LYS 26 13.596 6.146 1.713 214 1HD LYS 26 HD2 LYS 26 13.689 6.162 -0.720 215 2HD LYS 26 HD1 LYS 26 11.935 6.318 -0.818 216 1HE LYS 26 HE2 LYS 26 12.432 8.562 -0.983 217 2HE LYS 26 HE1 LYS 26 12.528 8.451 0.786 218 1HZ LYS 26 HZ1 LYS 26 14.806 7.962 -1.067 219 2HZ LYS 26 HZ2 LYS 26 14.869 7.965 0.632 220 3HZ LYS 26 HZ3 LYS 26 14.558 9.407 -0.214 221 H LEU 27 HN LEU 27 13.728 1.801 2.486 222 HA LEU 27 HA LEU 27 14.853 2.995 4.803 223 1HB LEU 27 HB2 LEU 27 13.739 0.602 4.088 224 2HB LEU 27 HB1 LEU 27 15.427 0.133 4.286 225 HG LEU 27 HG LEU 27 14.289 1.884 6.403 226 1HD1 LEU 27 HD11 LEU 27 13.079 0.132 7.497 227 2HD1 LEU 27 HD12 LEU 27 13.647 -1.073 6.342 228 3HD1 LEU 27 HD13 LEU 27 12.495 0.162 5.834 229 1HD2 LEU 27 HD21 LEU 27 15.687 0.443 7.813 230 2HD2 LEU 27 HD22 LEU 27 16.619 1.007 6.426 231 3HD2 LEU 27 HD23 LEU 27 15.980 -0.637 6.451 232 H MET 28 HN MET 28 16.450 1.271 2.104 233 HA MET 28 HA MET 28 19.095 1.239 3.231 234 1HB MET 28 HB2 MET 28 18.235 -0.124 1.309 235 2HB MET 28 HB1 MET 28 18.206 1.342 0.328 236 1HG MET 28 HG2 MET 28 20.346 0.866 -0.222 237 2HG MET 28 HG1 MET 28 20.769 1.335 1.424 238 1HE MET 28 HE1 MET 28 20.119 -0.722 3.492 239 2HE MET 28 HE2 MET 28 21.632 0.076 3.069 240 3HE MET 28 HE3 MET 28 21.601 -1.670 3.303 241 HA PRO 29 HA PRO 29 19.734 5.658 2.827 242 1HB PRO 29 HB2 PRO 29 22.275 5.678 3.852 243 2HB PRO 29 HB1 PRO 29 20.819 5.594 4.859 244 1HG PRO 29 HG2 PRO 29 22.672 3.419 4.022 245 2HG PRO 29 HG1 PRO 29 21.861 3.674 5.576 246 1HD PRO 29 HD2 PRO 29 21.009 1.872 3.721 247 2HD PRO 29 HD1 PRO 29 19.924 2.671 4.878 248 H GLN 30 HN GLN 30 21.725 6.981 1.926 249 HA GLN 30 HA GLN 30 23.257 5.538 -0.163 250 1HB GLN 30 HB2 GLN 30 22.313 7.109 -1.908 251 2HB GLN 30 HB1 GLN 30 21.134 5.975 -1.253 252 1HG GLN 30 HG2 GLN 30 21.066 8.240 0.447 253 2HG GLN 30 HG1 GLN 30 21.087 8.864 -1.202 254 1HE2 GLN 30 HE21 GLN 30 19.452 7.671 -2.741 255 2HE2 GLN 30 HE22 GLN 30 17.946 7.271 -2.068 256 H LEU 31 HN LEU 31 24.918 6.376 1.434 257 HA LEU 31 HA LEU 31 25.539 9.277 0.969 258 1HB LEU 31 HB2 LEU 31 25.393 7.556 3.325 259 2HB LEU 31 HB1 LEU 31 26.956 8.360 3.207 260 HG LEU 31 HG LEU 31 25.382 9.749 4.478 261 1HD1 LEU 31 HD11 LEU 31 25.611 11.093 1.796 262 2HD1 LEU 31 HD12 LEU 31 27.067 10.687 2.704 263 3HD1 LEU 31 HD13 LEU 31 25.866 11.771 3.404 264 1HD2 LEU 31 HD21 LEU 31 23.348 8.793 3.255 265 2HD2 LEU 31 HD22 LEU 31 23.716 9.925 1.955 266 3HD2 LEU 31 HD23 LEU 31 23.314 10.529 3.562 Start of MODEL 43 1 1H SER 1 HT1 SER 1 -24.221 0.104 -13.502 2 2H SER 1 HT2 SER 1 -24.476 -1.037 -12.270 3 3H SER 1 HT3 SER 1 -23.771 -1.515 -13.739 4 HA SER 1 HA SER 1 -22.064 -1.341 -12.036 5 1HB SER 1 HB2 SER 1 -22.168 0.723 -14.251 6 2HB SER 1 HB1 SER 1 -20.701 0.382 -13.338 7 HG SER 1 HG SER 1 -20.786 -0.895 -15.204 8 H GLY 2 HN GLY 2 -20.636 0.484 -10.990 9 1HA GLY 2 HA2 GLY 2 -20.692 2.789 -10.029 10 2HA GLY 2 HA1 GLY 2 -22.421 2.558 -9.770 11 H SER 3 HN SER 3 -19.485 0.635 -9.022 12 HA SER 3 HA SER 3 -20.604 0.170 -6.284 13 1HB SER 3 HB2 SER 3 -18.880 -1.733 -6.387 14 2HB SER 3 HB1 SER 3 -20.242 -1.859 -7.495 15 HG SER 3 HG SER 3 -18.871 -1.759 -9.079 16 H TRP 4 HN TRP 4 -19.809 2.221 -5.436 17 HA TRP 4 HA TRP 4 -16.880 2.687 -5.477 18 1HB TRP 4 HB2 TRP 4 -19.132 4.285 -5.548 19 2HB TRP 4 HB1 TRP 4 -18.634 4.424 -3.861 20 HD1 TRP 4 HD1 TRP 4 -16.669 4.321 -7.206 21 HE1 TRP 4 HE1 TRP 4 -14.952 6.242 -7.181 22 HE3 TRP 4 HE3 TRP 4 -17.737 6.396 -2.664 23 HZ2 TRP 4 HZ2 TRP 4 -14.140 8.380 -5.461 24 HZ3 TRP 4 HZ3 TRP 4 -16.479 8.373 -1.857 25 HH2 TRP 4 HH2 TRP 4 -14.683 9.366 -3.249 26 H LEU 5 HN LEU 5 -16.618 3.885 -2.934 27 HA LEU 5 HA LEU 5 -16.220 3.423 -0.666 28 1HB LEU 5 HB2 LEU 5 -18.317 1.273 -1.131 29 2HB LEU 5 HB1 LEU 5 -17.783 1.872 0.436 30 HG LEU 5 HG LEU 5 -18.721 3.913 -1.522 31 1HD1 LEU 5 HD11 LEU 5 -20.577 2.000 -0.074 32 2HD1 LEU 5 HD12 LEU 5 -20.414 2.176 -1.821 33 3HD1 LEU 5 HD13 LEU 5 -21.089 3.493 -0.861 34 1HD2 LEU 5 HD21 LEU 5 -17.929 4.496 0.751 35 2HD2 LEU 5 HD22 LEU 5 -19.174 3.456 1.446 36 3HD2 LEU 5 HD23 LEU 5 -19.633 4.902 0.546 37 H ARG 6 HN ARG 6 -16.792 0.178 -2.149 38 HA ARG 6 HA ARG 6 -14.679 -1.127 -0.729 39 1HB ARG 6 HB2 ARG 6 -16.646 -2.122 -2.005 40 2HB ARG 6 HB1 ARG 6 -15.740 -1.808 -3.487 41 1HG ARG 6 HG2 ARG 6 -14.247 -3.491 -3.092 42 2HG ARG 6 HG1 ARG 6 -14.227 -3.199 -1.353 43 1HD ARG 6 HD2 ARG 6 -15.351 -5.240 -1.403 44 2HD ARG 6 HD1 ARG 6 -16.734 -4.138 -1.545 45 HE ARG 6 HE ARG 6 -15.639 -4.635 -4.154 46 1HH1 ARG 6 HH11 ARG 6 -18.566 -4.730 -3.398 47 2HH1 ARG 6 HH12 ARG 6 -18.939 -6.404 -3.647 48 1HH2 ARG 6 HH21 ARG 6 -15.610 -7.405 -3.706 49 2HH2 ARG 6 HH22 ARG 6 -17.259 -7.924 -3.824 50 H ASP 7 HN ASP 7 -14.725 0.512 -3.904 51 HA ASP 7 HA ASP 7 -12.129 -0.188 -4.825 52 1HB ASP 7 HB2 ASP 7 -14.059 1.055 -5.979 53 2HB ASP 7 HB1 ASP 7 -13.485 2.504 -5.155 54 H ILE 8 HN ILE 8 -13.179 2.271 -2.490 55 HA ILE 8 HA ILE 8 -10.571 3.567 -2.268 56 HB ILE 8 HB ILE 8 -13.062 3.560 -0.524 57 1HG1 ILE 8 HG12 ILE 8 -12.258 5.884 -2.212 58 2HG1 ILE 8 HG11 ILE 8 -12.907 4.478 -3.056 59 1HG2 ILE 8 HG21 ILE 8 -12.125 5.693 0.376 60 2HG2 ILE 8 HG22 ILE 8 -10.643 5.394 -0.532 61 3HG2 ILE 8 HG23 ILE 8 -11.119 4.297 0.764 62 1HD1 ILE 8 HD11 ILE 8 -14.652 4.726 -0.944 63 2HD1 ILE 8 HD12 ILE 8 -14.936 5.365 -2.562 64 3HD1 ILE 8 HD13 ILE 8 -14.274 6.409 -1.306 65 H TRP 9 HN TRP 9 -12.447 1.317 -0.189 66 HA TRP 9 HA TRP 9 -10.447 0.990 1.838 67 1HB TRP 9 HB2 TRP 9 -12.901 0.412 1.932 68 2HB TRP 9 HB1 TRP 9 -12.560 -0.977 0.900 69 HD1 TRP 9 HD1 TRP 9 -12.479 -3.070 2.330 70 HE1 TRP 9 HE1 TRP 9 -11.466 -3.715 4.610 71 HE3 TRP 9 HE3 TRP 9 -10.622 1.460 3.786 72 HZ2 TRP 9 HZ2 TRP 9 -10.055 -2.474 6.768 73 HZ3 TRP 9 HZ3 TRP 9 -9.451 1.699 5.956 74 HH2 TRP 9 HH2 TRP 9 -9.165 -0.261 7.447 75 H ASP 10 HN ASP 10 -11.138 -0.904 -1.121 76 HA ASP 10 HA ASP 10 -9.216 -2.976 -0.732 77 1HB ASP 10 HB2 ASP 10 -11.094 -2.799 -2.434 78 2HB ASP 10 HB1 ASP 10 -10.070 -1.691 -3.346 79 H TRP 11 HN TRP 11 -8.910 0.216 -2.331 80 HA TRP 11 HA TRP 11 -6.153 -0.101 -3.123 81 1HB TRP 11 HB2 TRP 11 -7.827 1.554 -4.011 82 2HB TRP 11 HB1 TRP 11 -7.728 2.417 -2.476 83 HD1 TRP 11 HD1 TRP 11 -5.567 1.452 -5.501 84 HE1 TRP 11 HE1 TRP 11 -3.586 3.094 -5.648 85 HE3 TRP 11 HE3 TRP 11 -6.296 4.099 -1.197 86 HZ2 TRP 11 HZ2 TRP 11 -2.462 5.252 -4.140 87 HZ3 TRP 11 HZ3 TRP 11 -4.758 5.940 -0.576 88 HH2 TRP 11 HH2 TRP 11 -2.844 6.519 -2.042 89 H ILE 12 HN ILE 12 -7.720 1.192 -0.190 90 HA ILE 12 HA ILE 12 -5.408 2.273 1.093 91 HB ILE 12 HB ILE 12 -8.063 1.127 1.972 92 1HG1 ILE 12 HG12 ILE 12 -6.908 3.900 2.343 93 2HG1 ILE 12 HG11 ILE 12 -7.755 3.420 0.872 94 1HG2 ILE 12 HG21 ILE 12 -5.778 2.051 3.727 95 2HG2 ILE 12 HG22 ILE 12 -6.720 0.565 3.858 96 3HG2 ILE 12 HG23 ILE 12 -7.455 2.113 4.270 97 1HD1 ILE 12 HD11 ILE 12 -8.896 3.322 3.682 98 2HD1 ILE 12 HD12 ILE 12 -9.741 2.812 2.219 99 3HD1 ILE 12 HD13 ILE 12 -9.308 4.507 2.442 100 H CYS 13 HN CYS 13 -6.714 -1.035 0.960 101 HA CYS 13 HA CYS 13 -4.819 -2.174 2.854 102 1HB CYS 13 HB2 CYS 13 -7.106 -3.050 2.219 103 2HB CYS 13 HB1 CYS 13 -6.436 -3.502 0.652 104 HG CYS 13 HG CYS 13 -5.327 -4.707 3.323 105 H GLU 14 HN GLU 14 -4.969 -1.866 -0.705 106 HA GLU 14 HA GLU 14 -2.695 -3.489 -1.335 107 1HB GLU 14 HB2 GLU 14 -4.597 -1.844 -2.635 108 2HB GLU 14 HB1 GLU 14 -3.017 -1.215 -3.098 109 1HG GLU 14 HG2 GLU 14 -3.639 -4.171 -3.199 110 2HG GLU 14 HG1 GLU 14 -3.989 -3.103 -4.557 111 H VAL 15 HN VAL 15 -3.000 -0.009 -0.664 112 HA VAL 15 HA VAL 15 -0.238 0.692 -1.043 113 HB VAL 15 HB VAL 15 -2.427 1.872 0.709 114 1HG1 VAL 15 HG11 VAL 15 -0.900 3.985 0.128 115 2HG1 VAL 15 HG12 VAL 15 0.357 2.748 0.053 116 3HG1 VAL 15 HG13 VAL 15 -0.571 2.975 1.537 117 1HG2 VAL 15 HG21 VAL 15 -2.101 1.730 -2.120 118 2HG2 VAL 15 HG22 VAL 15 -1.783 3.396 -1.641 119 3HG2 VAL 15 HG23 VAL 15 -3.315 2.634 -1.217 120 H LEU 16 HN LEU 16 -2.043 -0.592 1.735 121 HA LEU 16 HA LEU 16 -0.061 -0.230 3.769 122 1HB LEU 16 HB2 LEU 16 -2.596 -1.056 3.720 123 2HB LEU 16 HB1 LEU 16 -1.846 -2.648 3.642 124 HG LEU 16 HG LEU 16 -2.340 -1.935 5.979 125 1HD1 LEU 16 HD11 LEU 16 0.646 -1.919 5.738 126 2HD1 LEU 16 HD12 LEU 16 -0.244 -3.325 5.155 127 3HD1 LEU 16 HD13 LEU 16 -0.383 -2.831 6.842 128 1HD2 LEU 16 HD21 LEU 16 -1.797 0.539 5.362 129 2HD2 LEU 16 HD22 LEU 16 -0.125 0.090 5.699 130 3HD2 LEU 16 HD23 LEU 16 -1.347 -0.044 6.963 131 H SER 17 HN SER 17 -0.671 -2.908 1.484 132 HA SER 17 HA SER 17 1.529 -4.572 2.383 133 1HB SER 17 HB2 SER 17 -0.352 -5.518 1.197 134 2HB SER 17 HB1 SER 17 -0.157 -4.385 -0.136 135 HG SER 17 HG SER 17 1.552 -5.491 -0.845 136 H ASP 18 HN ASP 18 1.102 -2.122 -0.160 137 HA ASP 18 HA ASP 18 3.680 -2.429 -1.408 138 1HB ASP 18 HB2 ASP 18 1.751 -1.360 -2.474 139 2HB ASP 18 HB1 ASP 18 1.727 -0.112 -1.229 140 H PHE 19 HN PHE 19 2.555 -0.572 1.399 141 HA PHE 19 HA PHE 19 4.592 1.328 1.734 142 1HB PHE 19 HB2 PHE 19 2.546 0.029 3.266 143 2HB PHE 19 HB1 PHE 19 4.001 0.110 4.254 144 HD1 PHE 19 HD1 PHE 19 1.990 2.250 1.917 145 HD2 PHE 19 HD2 PHE 19 4.443 2.073 5.440 146 HE1 PHE 19 HE1 PHE 19 1.586 4.663 2.320 147 HE2 PHE 19 HE2 PHE 19 4.038 4.487 5.842 148 HZ PHE 19 HZ PHE 19 2.608 5.781 4.283 149 H LYS 20 HN LYS 20 4.705 -2.162 2.340 150 HA LYS 20 HA LYS 20 7.383 -2.048 3.566 151 1HB LYS 20 HB2 LYS 20 5.666 -3.669 4.275 152 2HB LYS 20 HB1 LYS 20 5.589 -4.321 2.638 153 1HG LYS 20 HG2 LYS 20 8.331 -4.281 3.575 154 2HG LYS 20 HG1 LYS 20 7.305 -5.153 4.714 155 1HD LYS 20 HD2 LYS 20 6.657 -5.811 1.945 156 2HD LYS 20 HD1 LYS 20 8.341 -6.166 2.327 157 1HE LYS 20 HE2 LYS 20 6.311 -6.987 4.361 158 2HE LYS 20 HE1 LYS 20 6.379 -7.931 2.859 159 1HZ LYS 20 HZ1 LYS 20 7.971 -8.806 4.435 160 2HZ LYS 20 HZ2 LYS 20 8.678 -7.274 4.634 161 3HZ LYS 20 HZ3 LYS 20 8.801 -8.084 3.144 162 H THR 21 HN THR 21 5.932 -2.999 0.443 163 HA THR 21 HA THR 21 8.419 -3.960 -0.719 164 HB THR 21 HB THR 21 5.882 -3.003 -2.084 165 HG1 THR 21 HG1 THR 21 6.469 -5.610 -1.143 166 1HG2 THR 21 HG21 THR 21 8.319 -4.392 -2.933 167 2HG2 THR 21 HG22 THR 21 7.088 -3.586 -3.905 168 3HG2 THR 21 HG23 THR 21 6.845 -5.251 -3.377 169 H TRP 22 HN TRP 22 6.585 -0.890 -0.966 170 HA TRP 22 HA TRP 22 8.144 0.420 -2.936 171 1HB TRP 22 HB2 TRP 22 5.972 1.026 -1.514 172 2HB TRP 22 HB1 TRP 22 7.141 1.894 -0.524 173 HD1 TRP 22 HD1 TRP 22 5.575 1.868 -3.995 174 HE1 TRP 22 HE1 TRP 22 6.147 4.084 -5.185 175 HE3 TRP 22 HE3 TRP 22 8.889 3.839 -0.648 176 HZ2 TRP 22 HZ2 TRP 22 7.792 6.390 -4.768 177 HZ3 TRP 22 HZ3 TRP 22 9.942 6.042 -1.065 178 HH2 TRP 22 HH2 TRP 22 9.398 7.319 -3.121 179 H LEU 23 HN LEU 23 8.552 0.472 0.619 180 HA LEU 23 HA LEU 23 11.015 2.003 0.567 181 1HB LEU 23 HB2 LEU 23 9.335 0.499 2.520 182 2HB LEU 23 HB1 LEU 23 11.013 0.786 2.981 183 HG LEU 23 HG LEU 23 10.580 3.240 2.270 184 1HD1 LEU 23 HD11 LEU 23 8.468 2.920 1.118 185 2HD1 LEU 23 HD12 LEU 23 8.172 3.898 2.556 186 3HD1 LEU 23 HD13 LEU 23 7.751 2.186 2.552 187 1HD2 LEU 23 HD21 LEU 23 9.825 3.796 4.488 188 2HD2 LEU 23 HD22 LEU 23 10.803 2.336 4.634 189 3HD2 LEU 23 HD23 LEU 23 9.044 2.227 4.678 190 H LYS 24 HN LYS 24 10.255 -1.457 0.469 191 HA LYS 24 HA LYS 24 12.958 -2.396 0.991 192 1HB LYS 24 HB2 LYS 24 10.885 -3.705 1.359 193 2HB LYS 24 HB1 LYS 24 10.558 -3.669 -0.374 194 1HG LYS 24 HG2 LYS 24 12.871 -4.762 -0.662 195 2HG LYS 24 HG1 LYS 24 12.805 -5.078 1.073 196 1HD LYS 24 HD2 LYS 24 10.806 -6.391 0.845 197 2HD LYS 24 HD1 LYS 24 10.604 -5.899 -0.837 198 1HE LYS 24 HE2 LYS 24 12.639 -7.097 -1.480 199 2HE LYS 24 HE1 LYS 24 12.947 -7.526 0.215 200 1HZ LYS 24 HZ1 LYS 24 10.579 -8.451 0.165 201 2HZ LYS 24 HZ2 LYS 24 11.786 -9.353 -0.619 202 3HZ LYS 24 HZ3 LYS 24 10.716 -8.394 -1.525 203 H ALA 25 HN ALA 25 11.017 -1.838 -1.962 204 HA ALA 25 HA ALA 25 12.974 -2.756 -3.857 205 1HB ALA 25 HB1 ALA 25 10.575 -2.443 -4.325 206 2HB ALA 25 HB2 ALA 25 11.543 -1.476 -5.439 207 3HB ALA 25 HB3 ALA 25 10.743 -0.706 -4.068 208 H LYS 26 HN LYS 26 12.585 0.289 -2.122 209 HA LYS 26 HA LYS 26 14.048 2.093 -3.723 210 1HB LYS 26 HB2 LYS 26 12.771 2.566 -1.628 211 2HB LYS 26 HB1 LYS 26 14.051 1.785 -0.701 212 1HG LYS 26 HG2 LYS 26 15.658 3.447 -1.359 213 2HG LYS 26 HG1 LYS 26 14.550 4.131 -2.549 214 1HD LYS 26 HD2 LYS 26 14.501 5.568 -0.610 215 2HD LYS 26 HD1 LYS 26 12.979 4.680 -0.650 216 1HE LYS 26 HE2 LYS 26 13.413 3.719 1.359 217 2HE LYS 26 HE1 LYS 26 15.018 3.192 0.815 218 1HZ LYS 26 HZ1 LYS 26 14.335 5.970 1.631 219 2HZ LYS 26 HZ2 LYS 26 15.874 5.395 1.193 220 3HZ LYS 26 HZ3 LYS 26 15.133 4.847 2.621 221 H LEU 27 HN LEU 27 15.260 -0.298 -1.351 222 HA LEU 27 HA LEU 27 18.070 0.357 -2.122 223 1HB LEU 27 HB2 LEU 27 16.713 -0.289 0.272 224 2HB LEU 27 HB1 LEU 27 17.721 -1.688 -0.092 225 HG LEU 27 HG LEU 27 18.775 1.150 -0.145 226 1HD1 LEU 27 HD11 LEU 27 18.622 -0.857 2.109 227 2HD1 LEU 27 HD12 LEU 27 18.129 0.837 2.120 228 3HD1 LEU 27 HD13 LEU 27 19.842 0.416 2.079 229 1HD2 LEU 27 HD21 LEU 27 20.348 -0.113 -1.277 230 2HD2 LEU 27 HD22 LEU 27 19.904 -1.604 -0.446 231 3HD2 LEU 27 HD23 LEU 27 20.896 -0.399 0.374 232 H MET 28 HN MET 28 16.273 -1.104 -3.972 233 HA MET 28 HA MET 28 17.800 -3.678 -4.142 234 1HB MET 28 HB2 MET 28 14.983 -3.184 -3.719 235 2HB MET 28 HB1 MET 28 15.210 -4.019 -5.255 236 1HG MET 28 HG2 MET 28 16.315 -5.847 -4.229 237 2HG MET 28 HG1 MET 28 16.599 -4.946 -2.739 238 1HE MET 28 HE1 MET 28 14.130 -6.789 -5.017 239 2HE MET 28 HE2 MET 28 13.418 -5.178 -5.015 240 3HE MET 28 HE3 MET 28 12.552 -6.517 -4.266 241 HA PRO 29 HA PRO 29 18.138 -1.310 -8.084 242 1HB PRO 29 HB2 PRO 29 20.769 -1.919 -8.522 243 2HB PRO 29 HB1 PRO 29 20.242 -0.548 -7.530 244 1HG PRO 29 HG2 PRO 29 21.234 -3.221 -6.691 245 2HG PRO 29 HG1 PRO 29 21.504 -1.634 -5.956 246 1HD PRO 29 HD2 PRO 29 19.721 -3.483 -5.001 247 2HD PRO 29 HD1 PRO 29 19.580 -1.732 -4.733 248 H GLN 30 HN GLN 30 19.206 -2.243 -10.237 249 HA GLN 30 HA GLN 30 18.983 -5.213 -10.382 250 1HB GLN 30 HB2 GLN 30 16.985 -3.277 -11.173 251 2HB GLN 30 HB1 GLN 30 17.554 -4.156 -12.592 252 1HG GLN 30 HG2 GLN 30 17.059 -6.287 -11.548 253 2HG GLN 30 HG1 GLN 30 16.668 -5.496 -10.021 254 1HE2 GLN 30 HE21 GLN 30 15.549 -5.850 -13.407 255 2HE2 GLN 30 HE22 GLN 30 13.942 -5.405 -13.087 256 H LEU 31 HN LEU 31 19.390 -2.262 -12.403 257 HA LEU 31 HA LEU 31 21.568 -3.694 -13.891 258 1HB LEU 31 HB2 LEU 31 19.242 -2.114 -14.643 259 2HB LEU 31 HB1 LEU 31 20.714 -1.418 -15.316 260 HG LEU 31 HG LEU 31 19.763 -3.064 -16.870 261 1HD1 LEU 31 HD11 LEU 31 22.320 -2.816 -16.388 262 2HD1 LEU 31 HD12 LEU 31 21.765 -4.178 -17.360 263 3HD1 LEU 31 HD13 LEU 31 22.164 -4.413 -15.658 264 1HD2 LEU 31 HD21 LEU 31 18.655 -4.425 -15.042 265 2HD2 LEU 31 HD22 LEU 31 20.238 -5.122 -14.694 266 3HD2 LEU 31 HD23 LEU 31 19.486 -5.383 -16.268 Start of MODEL 44 1 1H SER 1 HT1 SER 1 -22.441 12.268 0.989 2 2H SER 1 HT2 SER 1 -23.174 11.677 -0.424 3 3H SER 1 HT3 SER 1 -21.712 12.533 -0.519 4 HA SER 1 HA SER 1 -21.286 10.167 -0.784 5 1HB SER 1 HB2 SER 1 -19.867 11.917 0.553 6 2HB SER 1 HB1 SER 1 -20.386 11.006 1.969 7 HG SER 1 HG SER 1 -18.461 10.146 1.188 8 H GLY 2 HN GLY 2 -21.098 8.074 0.519 9 1HA GLY 2 HA2 GLY 2 -22.890 7.705 2.795 10 2HA GLY 2 HA1 GLY 2 -23.522 7.005 1.305 11 H SER 3 HN SER 3 -22.446 5.193 0.385 12 HA SER 3 HA SER 3 -20.622 3.771 2.279 13 1HB SER 3 HB2 SER 3 -22.780 2.747 1.522 14 2HB SER 3 HB1 SER 3 -22.189 2.797 -0.137 15 HG SER 3 HG SER 3 -20.744 1.260 0.318 16 H TRP 4 HN TRP 4 -19.293 5.782 0.936 17 HA TRP 4 HA TRP 4 -17.932 4.481 -1.394 18 1HB TRP 4 HB2 TRP 4 -18.966 7.047 -0.875 19 2HB TRP 4 HB1 TRP 4 -17.216 7.241 -0.805 20 HD1 TRP 4 HD1 TRP 4 -20.058 6.497 -3.178 21 HE1 TRP 4 HE1 TRP 4 -19.153 6.408 -5.590 22 HE3 TRP 4 HE3 TRP 4 -15.042 6.636 -2.244 23 HZ2 TRP 4 HZ2 TRP 4 -16.633 6.399 -6.945 24 HZ3 TRP 4 HZ3 TRP 4 -13.411 6.586 -4.110 25 HH2 TRP 4 HH2 TRP 4 -14.201 6.468 -6.457 26 H LEU 5 HN LEU 5 -17.382 3.754 1.449 27 HA LEU 5 HA LEU 5 -14.576 4.779 1.735 28 1HB LEU 5 HB2 LEU 5 -16.678 3.761 3.655 29 2HB LEU 5 HB1 LEU 5 -14.984 3.889 4.130 30 HG LEU 5 HG LEU 5 -16.445 6.223 2.892 31 1HD1 LEU 5 HD11 LEU 5 -16.633 6.992 5.351 32 2HD1 LEU 5 HD12 LEU 5 -16.415 5.290 5.764 33 3HD1 LEU 5 HD13 LEU 5 -17.796 5.792 4.788 34 1HD2 LEU 5 HD21 LEU 5 -14.672 7.509 3.877 35 2HD2 LEU 5 HD22 LEU 5 -13.906 6.126 3.098 36 3HD2 LEU 5 HD23 LEU 5 -14.131 6.139 4.847 37 H ARG 6 HN ARG 6 -16.594 1.847 1.680 38 HA ARG 6 HA ARG 6 -14.572 -0.066 2.343 39 1HB ARG 6 HB2 ARG 6 -17.293 0.011 1.623 40 2HB ARG 6 HB1 ARG 6 -16.526 -1.008 0.405 41 1HG ARG 6 HG2 ARG 6 -16.934 -2.594 2.040 42 2HG ARG 6 HG1 ARG 6 -15.329 -2.058 2.538 43 1HD ARG 6 HD2 ARG 6 -16.259 -1.589 4.562 44 2HD ARG 6 HD1 ARG 6 -17.083 -0.236 3.764 45 HE ARG 6 HE ARG 6 -18.255 -2.991 3.943 46 1HH1 ARG 6 HH11 ARG 6 -19.214 -0.681 2.053 47 2HH1 ARG 6 HH12 ARG 6 -20.608 -0.145 2.930 48 1HH2 ARG 6 HH21 ARG 6 -19.742 -1.829 5.848 49 2HH2 ARG 6 HH22 ARG 6 -20.910 -0.801 5.087 50 H ASP 7 HN ASP 7 -15.628 1.224 -0.832 51 HA ASP 7 HA ASP 7 -13.871 -0.388 -2.437 52 1HB ASP 7 HB2 ASP 7 -14.548 1.106 -4.194 53 2HB ASP 7 HB1 ASP 7 -15.929 0.979 -3.106 54 H ILE 8 HN ILE 8 -13.460 2.795 -0.875 55 HA ILE 8 HA ILE 8 -10.916 3.441 -2.068 56 HB ILE 8 HB ILE 8 -12.364 4.251 0.475 57 1HG1 ILE 8 HG12 ILE 8 -11.835 5.658 -2.167 58 2HG1 ILE 8 HG11 ILE 8 -13.374 4.964 -1.660 59 1HG2 ILE 8 HG21 ILE 8 -9.776 5.346 -0.677 60 2HG2 ILE 8 HG22 ILE 8 -9.975 4.553 0.885 61 3HG2 ILE 8 HG23 ILE 8 -10.713 6.128 0.597 62 1HD1 ILE 8 HD11 ILE 8 -13.505 7.315 -1.197 63 2HD1 ILE 8 HD12 ILE 8 -11.918 7.315 -0.428 64 3HD1 ILE 8 HD13 ILE 8 -13.278 6.512 0.358 65 H TRP 9 HN TRP 9 -11.795 1.910 1.055 66 HA TRP 9 HA TRP 9 -9.150 1.473 2.036 67 1HB TRP 9 HB2 TRP 9 -11.279 1.271 3.316 68 2HB TRP 9 HB1 TRP 9 -11.682 -0.174 2.388 69 HD1 TRP 9 HD1 TRP 9 -11.293 -2.204 3.859 70 HE1 TRP 9 HE1 TRP 9 -9.441 -2.994 5.469 71 HE3 TRP 9 HE3 TRP 9 -8.232 1.886 3.765 72 HZ2 TRP 9 HZ2 TRP 9 -6.986 -2.022 6.569 73 HZ3 TRP 9 HZ3 TRP 9 -6.146 1.925 5.101 74 HH2 TRP 9 HH2 TRP 9 -5.519 -0.021 6.502 75 H ASP 10 HN ASP 10 -11.180 -0.400 -0.196 76 HA ASP 10 HA ASP 10 -9.616 -2.790 -0.341 77 1HB ASP 10 HB2 ASP 10 -11.964 -2.261 -1.216 78 2HB ASP 10 HB1 ASP 10 -11.177 -1.459 -2.576 79 H TRP 11 HN TRP 11 -9.534 0.184 -2.349 80 HA TRP 11 HA TRP 11 -7.340 -0.624 -4.027 81 1HB TRP 11 HB2 TRP 11 -8.873 1.191 -4.598 82 2HB TRP 11 HB1 TRP 11 -8.412 2.082 -3.147 83 HD1 TRP 11 HD1 TRP 11 -6.901 0.845 -6.467 84 HE1 TRP 11 HE1 TRP 11 -4.940 2.399 -7.091 85 HE3 TRP 11 HE3 TRP 11 -6.768 3.810 -2.313 86 HZ2 TRP 11 HZ2 TRP 11 -3.506 4.610 -5.977 87 HZ3 TRP 11 HZ3 TRP 11 -5.097 5.631 -2.119 88 HH2 TRP 11 HH2 TRP 11 -3.468 6.033 -3.943 89 H ILE 12 HN ILE 12 -7.503 1.099 -0.910 90 HA ILE 12 HA ILE 12 -4.738 1.814 -0.695 91 HB ILE 12 HB ILE 12 -6.960 1.214 1.280 92 1HG1 ILE 12 HG12 ILE 12 -5.552 3.811 0.590 93 2HG1 ILE 12 HG11 ILE 12 -7.023 3.265 -0.213 94 1HG2 ILE 12 HG21 ILE 12 -5.099 0.766 2.637 95 2HG2 ILE 12 HG22 ILE 12 -5.326 2.498 2.881 96 3HG2 ILE 12 HG23 ILE 12 -4.075 1.919 1.782 97 1HD1 ILE 12 HD11 ILE 12 -8.029 3.058 2.149 98 2HD1 ILE 12 HD12 ILE 12 -7.788 4.689 1.525 99 3HD1 ILE 12 HD13 ILE 12 -6.649 4.013 2.689 100 H CYS 13 HN CYS 13 -6.497 -1.192 -0.020 101 HA CYS 13 HA CYS 13 -4.446 -2.598 1.402 102 1HB CYS 13 HB2 CYS 13 -6.879 -3.205 1.143 103 2HB CYS 13 HB1 CYS 13 -6.540 -3.668 -0.523 104 HG CYS 13 HG CYS 13 -5.017 -5.588 0.346 105 H GLU 14 HN GLU 14 -5.076 -2.144 -2.079 106 HA GLU 14 HA GLU 14 -3.065 -3.998 -3.016 107 1HB GLU 14 HB2 GLU 14 -4.884 -1.912 -4.048 108 2HB GLU 14 HB1 GLU 14 -3.409 -2.116 -4.990 109 1HG GLU 14 HG2 GLU 14 -5.012 -3.638 -5.917 110 2HG GLU 14 HG1 GLU 14 -3.885 -4.617 -4.978 111 H VAL 15 HN VAL 15 -3.104 -0.475 -2.502 112 HA VAL 15 HA VAL 15 -0.342 -0.047 -3.282 113 HB VAL 15 HB VAL 15 -2.248 1.564 -1.540 114 1HG1 VAL 15 HG11 VAL 15 -0.290 2.686 -1.127 115 2HG1 VAL 15 HG12 VAL 15 -0.623 3.388 -2.709 116 3HG1 VAL 15 HG13 VAL 15 0.506 2.040 -2.563 117 1HG2 VAL 15 HG21 VAL 15 -2.394 2.888 -3.770 118 2HG2 VAL 15 HG22 VAL 15 -3.276 1.365 -3.664 119 3HG2 VAL 15 HG23 VAL 15 -1.732 1.432 -4.515 120 H LEU 16 HN LEU 16 -1.980 -0.830 -0.238 121 HA LEU 16 HA LEU 16 0.120 -0.278 1.612 122 1HB LEU 16 HB2 LEU 16 -2.273 -0.819 2.114 123 2HB LEU 16 HB1 LEU 16 -1.966 -2.488 1.638 124 HG LEU 16 HG LEU 16 0.045 -1.677 3.526 125 1HD1 LEU 16 HD11 LEU 16 -1.535 -1.400 5.491 126 2HD1 LEU 16 HD12 LEU 16 -2.831 -1.150 4.321 127 3HD1 LEU 16 HD13 LEU 16 -1.476 -0.023 4.391 128 1HD2 LEU 16 HD21 LEU 16 -0.805 -3.989 2.988 129 2HD2 LEU 16 HD22 LEU 16 -2.288 -3.589 3.854 130 3HD2 LEU 16 HD23 LEU 16 -0.749 -3.637 4.715 131 H SER 17 HN SER 17 -0.551 -3.163 -0.385 132 HA SER 17 HA SER 17 1.461 -4.888 0.706 133 1HB SER 17 HB2 SER 17 -0.482 -5.410 -0.872 134 2HB SER 17 HB1 SER 17 0.502 -4.740 -2.170 135 HG SER 17 HG SER 17 0.963 -7.020 -0.561 136 H ASP 18 HN ASP 18 1.549 -2.545 -2.000 137 HA ASP 18 HA ASP 18 4.361 -3.023 -2.613 138 1HB ASP 18 HB2 ASP 18 2.736 -2.196 -4.269 139 2HB ASP 18 HB1 ASP 18 2.446 -0.760 -3.285 140 H PHE 19 HN PHE 19 2.536 -0.686 -0.646 141 HA PHE 19 HA PHE 19 4.498 1.237 -0.054 142 1HB PHE 19 HB2 PHE 19 1.962 0.642 0.752 143 2HB PHE 19 HB1 PHE 19 2.860 0.216 2.206 144 HD1 PHE 19 HD1 PHE 19 1.547 2.911 0.205 145 HD2 PHE 19 HD2 PHE 19 4.483 1.930 3.183 146 HE1 PHE 19 HE1 PHE 19 1.754 5.312 0.793 147 HE2 PHE 19 HE2 PHE 19 4.690 4.329 3.770 148 HZ PHE 19 HZ PHE 19 3.325 6.021 2.576 149 H LYS 20 HN LYS 20 3.935 -1.902 1.567 150 HA LYS 20 HA LYS 20 6.042 -1.703 3.496 151 1HB LYS 20 HB2 LYS 20 3.999 -3.403 2.988 152 2HB LYS 20 HB1 LYS 20 5.328 -4.348 2.318 153 1HG LYS 20 HG2 LYS 20 5.376 -5.043 4.537 154 2HG LYS 20 HG1 LYS 20 6.526 -3.708 4.582 155 1HD LYS 20 HD2 LYS 20 3.667 -3.006 5.016 156 2HD LYS 20 HD1 LYS 20 4.461 -3.904 6.309 157 1HE LYS 20 HE2 LYS 20 5.408 -1.966 7.005 158 2HE LYS 20 HE1 LYS 20 6.298 -1.892 5.472 159 1HZ LYS 20 HZ1 LYS 20 4.082 -1.059 4.516 160 2HZ LYS 20 HZ2 LYS 20 5.005 0.029 5.438 161 3HZ LYS 20 HZ3 LYS 20 3.655 -0.739 6.127 162 H THR 21 HN THR 21 5.987 -3.149 0.211 163 HA THR 21 HA THR 21 8.745 -4.015 0.231 164 HB THR 21 HB THR 21 6.998 -3.237 -2.131 165 HG1 THR 21 HG1 THR 21 5.802 -4.880 -1.656 166 1HG2 THR 21 HG21 THR 21 9.405 -3.778 -2.571 167 2HG2 THR 21 HG22 THR 21 8.284 -4.908 -3.331 168 3HG2 THR 21 HG23 THR 21 9.134 -5.368 -1.856 169 H TRP 22 HN TRP 22 7.118 -1.042 -0.878 170 HA TRP 22 HA TRP 22 9.298 0.276 -2.129 171 1HB TRP 22 HB2 TRP 22 6.763 0.846 -1.852 172 2HB TRP 22 HB1 TRP 22 7.262 1.641 -0.364 173 HD1 TRP 22 HD1 TRP 22 7.406 1.971 -4.129 174 HE1 TRP 22 HE1 TRP 22 8.425 4.259 -4.741 175 HE3 TRP 22 HE3 TRP 22 8.974 3.496 0.483 176 HZ2 TRP 22 HZ2 TRP 22 9.734 6.449 -3.442 177 HZ3 TRP 22 HZ3 TRP 22 10.101 5.685 0.768 178 HH2 TRP 22 HH2 TRP 22 10.484 7.161 -1.187 179 H LEU 23 HN LEU 23 8.242 0.343 1.280 180 HA LEU 23 HA LEU 23 10.352 2.048 2.248 181 1HB LEU 23 HB2 LEU 23 8.150 0.400 3.265 182 2HB LEU 23 HB1 LEU 23 9.533 0.422 4.357 183 HG LEU 23 HG LEU 23 9.456 3.037 3.777 184 1HD1 LEU 23 HD11 LEU 23 7.159 3.820 3.557 185 2HD1 LEU 23 HD12 LEU 23 6.557 2.163 3.600 186 3HD1 LEU 23 HD13 LEU 23 7.518 2.717 2.229 187 1HD2 LEU 23 HD21 LEU 23 7.416 1.991 5.731 188 2HD2 LEU 23 HD22 LEU 23 8.529 3.347 5.911 189 3HD2 LEU 23 HD23 LEU 23 9.134 1.693 6.002 190 H LYS 24 HN LYS 24 10.099 -1.483 1.841 191 HA LYS 24 HA LYS 24 12.428 -2.232 3.336 192 1HB LYS 24 HB2 LYS 24 10.422 -3.529 2.109 193 2HB LYS 24 HB1 LYS 24 11.640 -3.685 0.843 194 1HG LYS 24 HG2 LYS 24 12.373 -5.480 2.017 195 2HG LYS 24 HG1 LYS 24 13.078 -4.296 3.116 196 1HD LYS 24 HD2 LYS 24 11.384 -4.530 4.684 197 2HD LYS 24 HD1 LYS 24 10.198 -5.037 3.480 198 1HE LYS 24 HE2 LYS 24 12.586 -6.782 4.118 199 2HE LYS 24 HE1 LYS 24 11.103 -6.863 5.090 200 1HZ LYS 24 HZ1 LYS 24 9.848 -7.099 2.982 201 2HZ LYS 24 HZ2 LYS 24 10.898 -8.400 3.280 202 3HZ LYS 24 HZ3 LYS 24 11.320 -7.210 2.145 203 H ALA 25 HN ALA 25 11.991 -1.229 -0.055 204 HA ALA 25 HA ALA 25 14.720 -1.727 -0.887 205 1HB ALA 25 HB1 ALA 25 12.872 -1.576 -2.464 206 2HB ALA 25 HB2 ALA 25 13.985 -0.248 -2.797 207 3HB ALA 25 HB3 ALA 25 12.488 0.057 -1.916 208 H LYS 26 HN LYS 26 12.989 1.155 0.331 209 HA LYS 26 HA LYS 26 15.202 2.992 0.034 210 1HB LYS 26 HB2 LYS 26 12.673 3.412 0.319 211 2HB LYS 26 HB1 LYS 26 12.941 3.144 2.042 212 1HG LYS 26 HG2 LYS 26 14.964 4.935 1.084 213 2HG LYS 26 HG1 LYS 26 13.393 5.532 0.547 214 1HD LYS 26 HD2 LYS 26 13.542 4.568 3.357 215 2HD LYS 26 HD1 LYS 26 14.400 6.067 2.999 216 1HE LYS 26 HE2 LYS 26 11.681 5.901 1.831 217 2HE LYS 26 HE1 LYS 26 11.734 5.972 3.602 218 1HZ LYS 26 HZ1 LYS 26 13.140 7.888 3.506 219 2HZ LYS 26 HZ2 LYS 26 11.791 8.193 2.520 220 3HZ LYS 26 HZ3 LYS 26 13.282 7.780 1.818 221 H LEU 27 HN LEU 27 13.947 1.112 2.817 222 HA LEU 27 HA LEU 27 15.885 2.031 4.733 223 1HB LEU 27 HB2 LEU 27 13.623 0.783 4.996 224 2HB LEU 27 HB1 LEU 27 14.562 -0.685 4.718 225 HG LEU 27 HG LEU 27 16.139 0.299 6.573 226 1HD1 LEU 27 HD11 LEU 27 13.539 1.793 6.986 227 2HD1 LEU 27 HD12 LEU 27 15.161 2.470 6.840 228 3HD1 LEU 27 HD13 LEU 27 14.715 1.551 8.277 229 1HD2 LEU 27 HD21 LEU 27 13.388 -0.822 7.201 230 2HD2 LEU 27 HD22 LEU 27 14.768 -0.837 8.299 231 3HD2 LEU 27 HD23 LEU 27 14.821 -1.769 6.803 232 H MET 28 HN MET 28 15.942 -0.562 2.318 233 HA MET 28 HA MET 28 18.722 -1.267 3.206 234 1HB MET 28 HB2 MET 28 16.749 -2.939 3.358 235 2HB MET 28 HB1 MET 28 16.835 -2.998 1.597 236 1HG MET 28 HG2 MET 28 19.372 -3.453 1.958 237 2HG MET 28 HG1 MET 28 18.905 -3.857 3.611 238 1HE MET 28 HE1 MET 28 16.374 -5.145 3.755 239 2HE MET 28 HE2 MET 28 17.813 -5.959 4.362 240 3HE MET 28 HE3 MET 28 16.648 -6.854 3.390 241 HA PRO 29 HA PRO 29 18.951 0.549 -1.056 242 1HB PRO 29 HB2 PRO 29 20.995 2.289 -0.534 243 2HB PRO 29 HB1 PRO 29 19.289 2.695 -0.269 244 1HG PRO 29 HG2 PRO 29 21.380 1.934 1.689 245 2HG PRO 29 HG1 PRO 29 20.019 3.050 1.864 246 1HD PRO 29 HD2 PRO 29 20.098 0.473 2.861 247 2HD PRO 29 HD1 PRO 29 18.619 1.411 2.569 248 H GLN 30 HN GLN 30 21.379 1.025 -2.158 249 HA GLN 30 HA GLN 30 22.715 -1.604 -2.051 250 1HB GLN 30 HB2 GLN 30 22.077 -0.042 -4.078 251 2HB GLN 30 HB1 GLN 30 23.593 0.768 -3.687 252 1HG GLN 30 HG2 GLN 30 24.834 -0.921 -4.535 253 2HG GLN 30 HG1 GLN 30 23.858 -2.149 -3.729 254 1HE2 GLN 30 HE21 GLN 30 23.097 -3.548 -5.337 255 2HE2 GLN 30 HE22 GLN 30 22.423 -3.049 -6.813 256 H LEU 31 HN LEU 31 23.189 -0.616 0.394 257 HA LEU 31 HA LEU 31 26.082 -0.040 0.389 258 1HB LEU 31 HB2 LEU 31 24.692 2.132 0.136 259 2HB LEU 31 HB1 LEU 31 24.201 1.856 1.807 260 HG LEU 31 HG LEU 31 26.861 1.524 2.087 261 1HD1 LEU 31 HD11 LEU 31 27.344 1.960 -0.280 262 2HD1 LEU 31 HD12 LEU 31 28.010 3.250 0.720 263 3HD1 LEU 31 HD13 LEU 31 26.516 3.514 -0.179 264 1HD2 LEU 31 HD21 LEU 31 25.490 3.077 3.390 265 2HD2 LEU 31 HD22 LEU 31 25.368 4.167 2.009 266 3HD2 LEU 31 HD23 LEU 31 26.924 3.917 2.801 Start of MODEL 45 1 1H SER 1 HT1 SER 1 -24.990 -3.659 0.428 2 2H SER 1 HT2 SER 1 -26.634 -3.264 0.261 3 3H SER 1 HT3 SER 1 -25.509 -2.063 0.684 4 HA SER 1 HA SER 1 -25.767 -3.453 -1.934 5 1HB SER 1 HB2 SER 1 -26.060 -0.999 -2.592 6 2HB SER 1 HB1 SER 1 -27.352 -1.679 -1.609 7 HG SER 1 HG SER 1 -26.425 0.437 -0.960 8 H GLY 2 HN GLY 2 -24.002 -0.696 -0.441 9 1HA GLY 2 HA2 GLY 2 -21.429 -1.205 -0.370 10 2HA GLY 2 HA1 GLY 2 -21.637 -1.417 -2.109 11 H SER 3 HN SER 3 -19.970 0.595 -0.866 12 HA SER 3 HA SER 3 -21.260 3.027 -2.022 13 1HB SER 3 HB2 SER 3 -20.673 4.292 -0.014 14 2HB SER 3 HB1 SER 3 -21.641 2.896 0.450 15 HG SER 3 HG SER 3 -19.916 2.866 1.795 16 H TRP 4 HN TRP 4 -19.571 4.806 -2.288 17 HA TRP 4 HA TRP 4 -17.295 3.938 -3.745 18 1HB TRP 4 HB2 TRP 4 -18.490 6.405 -2.723 19 2HB TRP 4 HB1 TRP 4 -16.733 6.494 -2.768 20 HD1 TRP 4 HD1 TRP 4 -19.691 6.850 -4.918 21 HE1 TRP 4 HE1 TRP 4 -19.014 6.936 -7.405 22 HE3 TRP 4 HE3 TRP 4 -14.836 5.301 -4.568 23 HZ2 TRP 4 HZ2 TRP 4 -16.717 6.418 -9.029 24 HZ3 TRP 4 HZ3 TRP 4 -13.429 5.106 -6.597 25 HH2 TRP 4 HH2 TRP 4 -14.362 5.662 -8.825 26 H LEU 5 HN LEU 5 -17.678 4.660 -0.291 27 HA LEU 5 HA LEU 5 -14.923 4.801 0.455 28 1HB LEU 5 HB2 LEU 5 -17.414 4.952 1.667 29 2HB LEU 5 HB1 LEU 5 -16.738 3.477 2.359 30 HG LEU 5 HG LEU 5 -15.057 5.967 2.202 31 1HD1 LEU 5 HD11 LEU 5 -15.852 6.635 4.414 32 2HD1 LEU 5 HD12 LEU 5 -16.975 5.276 4.450 33 3HD1 LEU 5 HD13 LEU 5 -17.213 6.586 3.293 34 1HD2 LEU 5 HD21 LEU 5 -15.181 3.656 4.168 35 2HD2 LEU 5 HD22 LEU 5 -13.960 4.929 4.130 36 3HD2 LEU 5 HD23 LEU 5 -14.059 3.763 2.812 37 H ARG 6 HN ARG 6 -17.149 2.005 0.207 38 HA ARG 6 HA ARG 6 -15.317 0.000 1.130 39 1HB ARG 6 HB2 ARG 6 -17.910 0.039 0.616 40 2HB ARG 6 HB1 ARG 6 -17.397 -0.507 -0.981 41 1HG ARG 6 HG2 ARG 6 -15.904 -2.101 0.718 42 2HG ARG 6 HG1 ARG 6 -17.447 -1.968 1.563 43 1HD ARG 6 HD2 ARG 6 -18.554 -3.198 -0.017 44 2HD ARG 6 HD1 ARG 6 -17.658 -2.454 -1.357 45 HE ARG 6 HE ARG 6 -16.308 -4.422 0.448 46 1HH1 ARG 6 HH21 ARG 6 -17.889 -5.701 -1.733 47 2HH1 ARG 6 HH22 ARG 6 -16.731 -5.820 -3.015 48 1HH2 ARG 6 HH11 ARG 6 -14.549 -3.511 -1.603 49 2HH2 ARG 6 HH12 ARG 6 -14.829 -4.574 -2.940 50 H ASP 7 HN ASP 7 -15.693 1.613 -1.982 51 HA ASP 7 HA ASP 7 -14.146 -0.296 -3.542 52 1HB ASP 7 HB2 ASP 7 -15.808 1.256 -4.502 53 2HB ASP 7 HB1 ASP 7 -14.856 2.633 -3.949 54 H ILE 8 HN ILE 8 -13.442 2.781 -1.878 55 HA ILE 8 HA ILE 8 -10.658 2.908 -2.705 56 HB ILE 8 HB ILE 8 -12.213 4.202 -0.434 57 1HG1 ILE 8 HG12 ILE 8 -11.397 5.664 -2.906 58 2HG1 ILE 8 HG11 ILE 8 -12.719 4.507 -3.065 59 1HG2 ILE 8 HG21 ILE 8 -9.432 4.604 -1.513 60 2HG2 ILE 8 HG22 ILE 8 -9.977 4.557 0.164 61 3HG2 ILE 8 HG23 ILE 8 -10.315 5.971 -0.834 62 1HD1 ILE 8 HD11 ILE 8 -13.979 6.294 -2.394 63 2HD1 ILE 8 HD12 ILE 8 -12.623 7.078 -1.584 64 3HD1 ILE 8 HD13 ILE 8 -13.481 5.759 -0.789 65 H TRP 9 HN TRP 9 -12.385 1.416 0.002 66 HA TRP 9 HA TRP 9 -10.295 1.040 1.866 67 1HB TRP 9 HB2 TRP 9 -12.895 -0.150 1.178 68 2HB TRP 9 HB1 TRP 9 -11.804 -1.278 1.983 69 HD1 TRP 9 HD1 TRP 9 -14.315 1.168 2.805 70 HE1 TRP 9 HE1 TRP 9 -14.044 2.059 5.210 71 HE3 TRP 9 HE3 TRP 9 -9.578 -0.453 3.818 72 HZ2 TRP 9 HZ2 TRP 9 -12.079 2.080 7.287 73 HZ3 TRP 9 HZ3 TRP 9 -8.534 0.016 6.017 74 HH2 TRP 9 HH2 TRP 9 -9.777 1.280 7.751 75 H ASP 10 HN ASP 10 -11.191 -1.068 -0.907 76 HA ASP 10 HA ASP 10 -9.162 -3.052 -0.473 77 1HB ASP 10 HB2 ASP 10 -11.040 -3.459 -1.941 78 2HB ASP 10 HB1 ASP 10 -10.641 -2.055 -2.930 79 H TRP 11 HN TRP 11 -9.192 -0.058 -2.431 80 HA TRP 11 HA TRP 11 -6.593 -0.282 -3.585 81 1HB TRP 11 HB2 TRP 11 -8.328 1.328 -4.269 82 2HB TRP 11 HB1 TRP 11 -8.225 2.128 -2.702 83 HD1 TRP 11 HD1 TRP 11 -6.342 1.690 -5.986 84 HE1 TRP 11 HE1 TRP 11 -4.483 3.474 -6.123 85 HE3 TRP 11 HE3 TRP 11 -6.642 3.642 -1.278 86 HZ2 TRP 11 HZ2 TRP 11 -3.283 5.465 -4.453 87 HZ3 TRP 11 HZ3 TRP 11 -5.134 5.478 -0.576 88 HH2 TRP 11 HH2 TRP 11 -3.455 6.391 -2.156 89 H ILE 12 HN ILE 12 -7.657 1.100 -0.465 90 HA ILE 12 HA ILE 12 -5.136 2.143 0.399 91 HB ILE 12 HB ILE 12 -7.549 1.016 1.864 92 1HG1 ILE 12 HG12 ILE 12 -6.745 3.912 1.681 93 2HG1 ILE 12 HG11 ILE 12 -7.587 3.154 0.329 94 1HG2 ILE 12 HG21 ILE 12 -5.679 0.933 3.405 95 2HG2 ILE 12 HG22 ILE 12 -6.665 2.335 3.821 96 3HG2 ILE 12 HG23 ILE 12 -5.158 2.550 2.930 97 1HD1 ILE 12 HD11 ILE 12 -9.522 2.760 1.580 98 2HD1 ILE 12 HD12 ILE 12 -8.987 4.313 2.219 99 3HD1 ILE 12 HD13 ILE 12 -8.662 2.830 3.118 100 H CYS 13 HN CYS 13 -6.571 -1.107 0.624 101 HA CYS 13 HA CYS 13 -4.519 -2.281 2.286 102 1HB CYS 13 HB2 CYS 13 -6.883 -3.103 1.793 103 2HB CYS 13 HB1 CYS 13 -6.287 -3.621 0.216 104 HG CYS 13 HG CYS 13 -4.717 -5.323 1.387 105 H GLU 14 HN GLU 14 -4.982 -2.015 -1.250 106 HA GLU 14 HA GLU 14 -2.765 -3.643 -2.047 107 1HB GLU 14 HB2 GLU 14 -4.733 -1.840 -3.179 108 2HB GLU 14 HB1 GLU 14 -3.163 -1.583 -3.935 109 1HG GLU 14 HG2 GLU 14 -3.990 -3.311 -5.250 110 2HG GLU 14 HG1 GLU 14 -3.120 -4.227 -4.020 111 H VAL 15 HN VAL 15 -3.040 -0.173 -1.342 112 HA VAL 15 HA VAL 15 -0.367 0.579 -2.081 113 HB VAL 15 HB VAL 15 -2.341 1.709 -0.062 114 1HG1 VAL 15 HG11 VAL 15 -0.416 2.821 0.573 115 2HG1 VAL 15 HG12 VAL 15 -0.904 3.848 -0.775 116 3HG1 VAL 15 HG13 VAL 15 0.346 2.625 -1.005 117 1HG2 VAL 15 HG21 VAL 15 -1.821 3.104 -2.611 118 2HG2 VAL 15 HG22 VAL 15 -3.354 2.759 -1.811 119 3HG2 VAL 15 HG23 VAL 15 -2.578 1.522 -2.799 120 H LEU 16 HN LEU 16 -1.782 -0.613 0.970 121 HA LEU 16 HA LEU 16 0.517 -0.286 2.647 122 1HB LEU 16 HB2 LEU 16 -1.898 -0.828 3.261 123 2HB LEU 16 HB1 LEU 16 -1.575 -2.484 2.747 124 HG LEU 16 HG LEU 16 0.483 -1.452 4.557 125 1HD1 LEU 16 HD11 LEU 16 -1.557 -0.249 5.418 126 2HD1 LEU 16 HD12 LEU 16 -0.864 -1.391 6.569 127 3HD1 LEU 16 HD13 LEU 16 -2.316 -1.821 5.664 128 1HD2 LEU 16 HD21 LEU 16 -1.397 -3.820 4.802 129 2HD2 LEU 16 HD22 LEU 16 0.167 -3.617 5.593 130 3HD2 LEU 16 HD23 LEU 16 0.085 -3.843 3.846 131 H SER 17 HN SER 17 -0.515 -2.934 0.490 132 HA SER 17 HA SER 17 1.537 -4.826 1.151 133 1HB SER 17 HB2 SER 17 -0.605 -5.158 -0.180 134 2HB SER 17 HB1 SER 17 0.186 -4.348 -1.529 135 HG SER 17 HG SER 17 0.529 -6.523 -1.775 136 H ASP 18 HN ASP 18 1.370 -2.234 -1.309 137 HA ASP 18 HA ASP 18 4.016 -2.727 -2.398 138 1HB ASP 18 HB2 ASP 18 2.403 -1.583 -3.748 139 2HB ASP 18 HB1 ASP 18 2.029 -0.440 -2.460 140 H PHE 19 HN PHE 19 2.703 -0.366 -0.040 141 HA PHE 19 HA PHE 19 4.973 1.173 0.513 142 1HB PHE 19 HB2 PHE 19 2.453 0.473 1.725 143 2HB PHE 19 HB1 PHE 19 3.690 0.543 2.975 144 HD1 PHE 19 HD1 PHE 19 3.932 2.612 4.009 145 HD2 PHE 19 HD2 PHE 19 2.831 2.465 -0.144 146 HE1 PHE 19 HE1 PHE 19 3.863 5.090 3.938 147 HE2 PHE 19 HE2 PHE 19 2.763 4.944 -0.212 148 HZ PHE 19 HZ PHE 19 3.279 6.255 1.829 149 H LYS 20 HN LYS 20 4.228 -2.117 1.637 150 HA LYS 20 HA LYS 20 6.356 -2.374 3.550 151 1HB LYS 20 HB2 LYS 20 4.307 -3.822 3.244 152 2HB LYS 20 HB1 LYS 20 5.067 -4.498 1.804 153 1HG LYS 20 HG2 LYS 20 5.752 -6.043 3.390 154 2HG LYS 20 HG1 LYS 20 7.095 -4.902 3.465 155 1HD LYS 20 HD2 LYS 20 6.659 -4.645 5.659 156 2HD LYS 20 HD1 LYS 20 5.145 -3.863 5.209 157 1HE LYS 20 HE2 LYS 20 3.923 -5.649 5.900 158 2HE LYS 20 HE1 LYS 20 4.970 -6.785 5.026 159 1HZ LYS 20 HZ1 LYS 20 5.560 -5.499 7.644 160 2HZ LYS 20 HZ2 LYS 20 6.648 -6.478 6.781 161 3HZ LYS 20 HZ3 LYS 20 5.207 -7.138 7.390 162 H THR 21 HN THR 21 6.170 -3.312 0.076 163 HA THR 21 HA THR 21 9.015 -4.072 0.053 164 HB THR 21 HB THR 21 7.128 -5.177 -1.248 165 HG1 THR 21 HG1 THR 21 9.234 -4.147 -2.841 166 1HG2 THR 21 HG21 THR 21 7.353 -2.617 -2.856 167 2HG2 THR 21 HG22 THR 21 5.923 -3.223 -2.022 168 3HG2 THR 21 HG23 THR 21 6.548 -4.078 -3.430 169 H TRP 22 HN TRP 22 7.067 -1.264 -0.817 170 HA TRP 22 HA TRP 22 8.923 0.135 -2.486 171 1HB TRP 22 HB2 TRP 22 6.435 0.560 -1.837 172 2HB TRP 22 HB1 TRP 22 7.092 1.402 -0.441 173 HD1 TRP 22 HD1 TRP 22 6.632 1.706 -4.177 174 HE1 TRP 22 HE1 TRP 22 7.400 4.047 -4.940 175 HE3 TRP 22 HE3 TRP 22 8.816 3.364 0.129 176 HZ2 TRP 22 HZ2 TRP 22 8.762 6.323 -3.864 177 HZ3 TRP 22 HZ3 TRP 22 9.838 5.618 0.235 178 HH2 TRP 22 HH2 TRP 22 9.814 7.099 -1.754 179 H LEU 23 HN LEU 23 8.404 0.207 1.043 180 HA LEU 23 HA LEU 23 10.493 2.069 1.691 181 1HB LEU 23 HB2 LEU 23 8.848 -0.015 3.085 182 2HB LEU 23 HB1 LEU 23 10.241 0.645 3.941 183 HG LEU 23 HG LEU 23 8.211 2.447 2.617 184 1HD1 LEU 23 HD11 LEU 23 7.058 2.624 4.764 185 2HD1 LEU 23 HD12 LEU 23 8.179 1.474 5.492 186 3HD1 LEU 23 HD13 LEU 23 7.055 0.940 4.241 187 1HD2 LEU 23 HD21 LEU 23 10.361 3.445 3.255 188 2HD2 LEU 23 HD22 LEU 23 10.198 2.795 4.887 189 3HD2 LEU 23 HD23 LEU 23 9.086 4.041 4.319 190 H LYS 24 HN LYS 24 10.455 -1.515 1.556 191 HA LYS 24 HA LYS 24 13.183 -1.883 2.419 192 1HB LYS 24 HB2 LYS 24 11.201 -3.531 2.296 193 2HB LYS 24 HB1 LYS 24 11.590 -3.688 0.584 194 1HG LYS 24 HG2 LYS 24 12.747 -5.461 1.730 195 2HG LYS 24 HG1 LYS 24 13.958 -4.266 1.271 196 1HD LYS 24 HD2 LYS 24 14.589 -4.307 3.445 197 2HD LYS 24 HD1 LYS 24 13.133 -3.363 3.753 198 1HE LYS 24 HE2 LYS 24 12.467 -6.184 3.546 199 2HE LYS 24 HE1 LYS 24 13.710 -5.921 4.784 200 1HZ LYS 24 HZ1 LYS 24 11.611 -5.524 5.804 201 2HZ LYS 24 HZ2 LYS 24 11.099 -4.525 4.529 202 3HZ LYS 24 HZ3 LYS 24 12.337 -4.009 5.573 203 H ALA 25 HN ALA 25 11.683 -1.361 -0.762 204 HA ALA 25 HA ALA 25 13.964 -1.982 -2.395 205 1HB ALA 25 HB1 ALA 25 12.704 -0.712 -4.087 206 2HB ALA 25 HB2 ALA 25 11.707 0.007 -2.823 207 3HB ALA 25 HB3 ALA 25 11.601 -1.722 -3.152 208 H LYS 26 HN LYS 26 12.968 0.969 -0.681 209 HA LYS 26 HA LYS 26 15.117 2.603 -1.847 210 1HB LYS 26 HB2 LYS 26 12.669 3.117 -0.834 211 2HB LYS 26 HB1 LYS 26 13.633 3.395 0.616 212 1HG LYS 26 HG2 LYS 26 14.949 5.075 -0.470 213 2HG LYS 26 HG1 LYS 26 14.308 4.645 -2.055 214 1HD LYS 26 HD2 LYS 26 13.009 6.508 -1.565 215 2HD LYS 26 HD1 LYS 26 11.986 5.221 -0.927 216 1HE LYS 26 HE2 LYS 26 12.042 6.728 0.879 217 2HE LYS 26 HE1 LYS 26 13.375 5.632 1.295 218 1HZ LYS 26 HZ1 LYS 26 14.930 7.099 0.241 219 2HZ LYS 26 HZ2 LYS 26 14.019 8.011 1.349 220 3HZ LYS 26 HZ3 LYS 26 13.688 8.114 -0.314 221 H LEU 27 HN LEU 27 14.967 0.266 0.626 222 HA LEU 27 HA LEU 27 16.933 1.505 2.434 223 1HB LEU 27 HB2 LEU 27 14.893 -0.236 2.745 224 2HB LEU 27 HB1 LEU 27 16.205 -1.392 2.520 225 HG LEU 27 HG LEU 27 17.441 0.158 4.280 226 1HD1 LEU 27 HD11 LEU 27 14.495 0.652 4.808 227 2HD1 LEU 27 HD12 LEU 27 15.716 1.868 4.425 228 3HD1 LEU 27 HD13 LEU 27 15.784 1.003 5.961 229 1HD2 LEU 27 HD21 LEU 27 17.042 -2.152 4.754 230 2HD2 LEU 27 HD22 LEU 27 15.297 -1.905 4.842 231 3HD2 LEU 27 HD23 LEU 27 16.344 -1.263 6.107 232 H MET 28 HN MET 28 18.248 -1.200 2.833 233 HA MET 28 HA MET 28 20.171 -2.336 2.098 234 1HB MET 28 HB2 MET 28 18.341 -2.612 0.201 235 2HB MET 28 HB1 MET 28 19.441 -1.585 -0.719 236 1HG MET 28 HG2 MET 28 20.823 -3.738 0.717 237 2HG MET 28 HG1 MET 28 19.656 -4.334 -0.462 238 1HE MET 28 HE1 MET 28 23.526 -2.110 -0.941 239 2HE MET 28 HE2 MET 28 23.434 -3.793 -0.425 240 3HE MET 28 HE3 MET 28 22.597 -2.548 0.499 241 HA PRO 29 HA PRO 29 22.371 1.661 1.473 242 1HB PRO 29 HB2 PRO 29 24.020 1.415 3.648 243 2HB PRO 29 HB1 PRO 29 22.399 2.120 3.736 244 1HG PRO 29 HG2 PRO 29 23.333 -0.561 4.567 245 2HG PRO 29 HG1 PRO 29 22.067 0.460 5.259 246 1HD PRO 29 HD2 PRO 29 21.637 -1.729 3.615 247 2HD PRO 29 HD1 PRO 29 20.467 -0.429 3.923 248 H GLN 30 HN GLN 30 24.674 -0.390 3.167 249 HA GLN 30 HA GLN 30 26.263 -0.637 0.658 250 1HB GLN 30 HB2 GLN 30 28.095 -1.155 2.255 251 2HB GLN 30 HB1 GLN 30 27.298 0.366 2.656 252 1HG GLN 30 HG2 GLN 30 26.646 -0.416 4.671 253 2HG GLN 30 HG1 GLN 30 25.990 -1.888 3.959 254 1HE2 GLN 30 HE21 GLN 30 28.285 -0.881 6.139 255 2HE2 GLN 30 HE22 GLN 30 29.385 -2.166 6.001 256 H LEU 31 HN LEU 31 24.313 -2.539 2.813 257 HA LEU 31 HA LEU 31 25.067 -5.006 1.311 258 1HB LEU 31 HB2 LEU 31 25.613 -4.330 4.080 259 2HB LEU 31 HB1 LEU 31 24.570 -5.749 3.991 260 HG LEU 31 HG LEU 31 27.020 -5.523 2.247 261 1HD1 LEU 31 HD11 LEU 31 27.637 -5.200 4.674 262 2HD1 LEU 31 HD12 LEU 31 28.333 -6.643 3.936 263 3HD1 LEU 31 HD13 LEU 31 26.934 -6.784 5.002 264 1HD2 LEU 31 HD21 LEU 31 26.835 -7.958 2.228 265 2HD2 LEU 31 HD22 LEU 31 25.270 -7.263 1.803 266 3HD2 LEU 31 HD23 LEU 31 25.541 -7.899 3.426 Start of MODEL 46 1 1H SER 1 HT1 SER 1 -28.338 1.254 -4.936 2 2H SER 1 HT2 SER 1 -29.121 2.367 -3.919 3 3H SER 1 HT3 SER 1 -27.856 1.404 -3.316 4 HA SER 1 HA SER 1 -27.543 3.468 -5.443 5 1HB SER 1 HB2 SER 1 -26.963 3.453 -2.464 6 2HB SER 1 HB1 SER 1 -26.471 4.733 -3.568 7 HG SER 1 HG SER 1 -28.408 5.361 -2.737 8 H GLY 2 HN GLY 2 -25.237 3.877 -5.874 9 1HA GLY 2 HA2 GLY 2 -23.662 1.449 -5.990 10 2HA GLY 2 HA1 GLY 2 -23.117 3.055 -6.478 11 H SER 3 HN SER 3 -21.771 0.942 -4.801 12 HA SER 3 HA SER 3 -21.426 2.502 -2.261 13 1HB SER 3 HB2 SER 3 -22.158 -0.080 -2.583 14 2HB SER 3 HB1 SER 3 -20.407 -0.282 -2.576 15 HG SER 3 HG SER 3 -21.769 -0.191 -0.486 16 H TRP 4 HN TRP 4 -19.588 3.725 -2.310 17 HA TRP 4 HA TRP 4 -17.273 2.840 -3.984 18 1HB TRP 4 HB2 TRP 4 -18.637 5.219 -3.764 19 2HB TRP 4 HB1 TRP 4 -17.270 5.497 -2.685 20 HD1 TRP 4 HD1 TRP 4 -17.476 3.652 -6.093 21 HE1 TRP 4 HE1 TRP 4 -15.662 4.634 -7.639 22 HE3 TRP 4 HE3 TRP 4 -15.567 7.265 -3.029 23 HZ2 TRP 4 HZ2 TRP 4 -13.664 6.682 -7.583 24 HZ3 TRP 4 HZ3 TRP 4 -13.713 8.717 -3.801 25 HH2 TRP 4 HH2 TRP 4 -12.760 8.432 -6.072 26 H LEU 5 HN LEU 5 -18.274 2.604 -0.791 27 HA LEU 5 HA LEU 5 -15.956 3.389 0.708 28 1HB LEU 5 HB2 LEU 5 -18.423 1.786 1.043 29 2HB LEU 5 HB1 LEU 5 -17.100 1.323 2.113 30 HG LEU 5 HG LEU 5 -16.856 3.774 2.712 31 1HD1 LEU 5 HD11 LEU 5 -17.972 4.791 0.819 32 2HD1 LEU 5 HD12 LEU 5 -18.915 5.162 2.263 33 3HD1 LEU 5 HD13 LEU 5 -19.456 3.900 1.156 34 1HD2 LEU 5 HD21 LEU 5 -18.055 2.132 4.149 35 2HD2 LEU 5 HD22 LEU 5 -19.552 2.504 3.294 36 3HD2 LEU 5 HD23 LEU 5 -18.759 3.746 4.263 37 H ARG 6 HN ARG 6 -16.947 0.172 -0.554 38 HA ARG 6 HA ARG 6 -14.578 -1.231 0.273 39 1HB ARG 6 HB2 ARG 6 -16.963 -1.961 -0.648 40 2HB ARG 6 HB1 ARG 6 -16.125 -1.950 -2.200 41 1HG ARG 6 HG2 ARG 6 -14.301 -3.301 -0.753 42 2HG ARG 6 HG1 ARG 6 -15.752 -3.752 0.143 43 1HD ARG 6 HD2 ARG 6 -16.685 -4.137 -2.359 44 2HD ARG 6 HD1 ARG 6 -14.963 -4.452 -2.647 45 HE ARG 6 HE ARG 6 -16.745 -6.119 -1.053 46 1HH1 ARG 6 HH21 ARG 6 -13.873 -6.258 -2.589 47 2HH1 ARG 6 HH22 ARG 6 -12.979 -7.053 -1.338 48 1HH2 ARG 6 HH11 ARG 6 -15.452 -6.616 1.068 49 2HH2 ARG 6 HH12 ARG 6 -13.880 -7.264 0.737 50 H ASP 7 HN ASP 7 -15.384 0.650 -2.619 51 HA ASP 7 HA ASP 7 -13.183 -0.093 -4.289 52 1HB ASP 7 HB2 ASP 7 -15.184 1.116 -5.045 53 2HB ASP 7 HB1 ASP 7 -14.772 2.484 -4.012 54 H ILE 8 HN ILE 8 -13.511 2.421 -1.773 55 HA ILE 8 HA ILE 8 -10.810 3.478 -2.204 56 HB ILE 8 HB ILE 8 -12.974 3.855 -0.108 57 1HG1 ILE 8 HG12 ILE 8 -11.909 5.794 -2.180 58 2HG1 ILE 8 HG11 ILE 8 -13.271 4.719 -2.495 59 1HG2 ILE 8 HG21 ILE 8 -11.518 5.936 0.448 60 2HG2 ILE 8 HG22 ILE 8 -10.208 5.043 -0.326 61 3HG2 ILE 8 HG23 ILE 8 -11.011 4.376 1.096 62 1HD1 ILE 8 HD11 ILE 8 -13.783 7.114 -1.628 63 2HD1 ILE 8 HD12 ILE 8 -13.247 6.501 -0.064 64 3HD1 ILE 8 HD13 ILE 8 -14.627 5.761 -0.874 65 H TRP 9 HN TRP 9 -12.416 1.487 0.314 66 HA TRP 9 HA TRP 9 -10.175 1.108 2.023 67 1HB TRP 9 HB2 TRP 9 -12.597 0.563 2.451 68 2HB TRP 9 HB1 TRP 9 -12.419 -0.837 1.393 69 HD1 TRP 9 HD1 TRP 9 -12.307 -2.881 2.907 70 HE1 TRP 9 HE1 TRP 9 -10.962 -3.546 5.003 71 HE3 TRP 9 HE3 TRP 9 -9.902 1.526 3.858 72 HZ2 TRP 9 HZ2 TRP 9 -9.114 -2.368 6.839 73 HZ3 TRP 9 HZ3 TRP 9 -8.358 1.724 5.783 74 HH2 TRP 9 HH2 TRP 9 -7.961 -0.215 7.275 75 H ASP 10 HN ASP 10 -11.255 -0.812 -0.799 76 HA ASP 10 HA ASP 10 -9.336 -2.913 -0.634 77 1HB ASP 10 HB2 ASP 10 -11.350 -2.828 -2.093 78 2HB ASP 10 HB1 ASP 10 -10.581 -1.570 -3.061 79 H TRP 11 HN TRP 11 -9.154 0.273 -2.260 80 HA TRP 11 HA TRP 11 -6.519 -0.082 -3.377 81 1HB TRP 11 HB2 TRP 11 -8.123 1.599 -4.159 82 2HB TRP 11 HB1 TRP 11 -8.131 2.368 -2.573 83 HD1 TRP 11 HD1 TRP 11 -5.876 1.817 -5.621 84 HE1 TRP 11 HE1 TRP 11 -4.004 3.590 -5.588 85 HE3 TRP 11 HE3 TRP 11 -6.786 3.977 -1.087 86 HZ2 TRP 11 HZ2 TRP 11 -3.024 5.653 -3.866 87 HZ3 TRP 11 HZ3 TRP 11 -5.371 5.842 -0.274 88 HH2 TRP 11 HH2 TRP 11 -3.492 6.681 -1.657 89 H ILE 12 HN ILE 12 -7.685 1.285 -0.285 90 HA ILE 12 HA ILE 12 -5.187 2.270 0.696 91 HB ILE 12 HB ILE 12 -7.712 1.194 1.987 92 1HG1 ILE 12 HG12 ILE 12 -6.627 4.019 1.926 93 2HG1 ILE 12 HG11 ILE 12 -7.642 3.379 0.634 94 1HG2 ILE 12 HG21 ILE 12 -5.160 2.151 3.240 95 2HG2 ILE 12 HG22 ILE 12 -6.265 0.886 3.780 96 3HG2 ILE 12 HG23 ILE 12 -6.691 2.583 4.004 97 1HD1 ILE 12 HD11 ILE 12 -8.429 3.395 3.562 98 2HD1 ILE 12 HD12 ILE 12 -9.447 2.933 2.199 99 3HD1 ILE 12 HD13 ILE 12 -8.940 4.611 2.392 100 H CYS 13 HN CYS 13 -6.630 -0.976 0.734 101 HA CYS 13 HA CYS 13 -4.643 -2.185 2.473 102 1HB CYS 13 HB2 CYS 13 -7.008 -2.963 1.966 103 2HB CYS 13 HB1 CYS 13 -6.425 -3.473 0.382 104 HG CYS 13 HG CYS 13 -5.374 -4.695 3.067 105 H GLU 14 HN GLU 14 -5.021 -1.870 -1.069 106 HA GLU 14 HA GLU 14 -2.812 -3.563 -1.802 107 1HB GLU 14 HB2 GLU 14 -4.818 -1.993 -3.027 108 2HB GLU 14 HB1 GLU 14 -3.285 -1.367 -3.632 109 1HG GLU 14 HG2 GLU 14 -3.764 -4.337 -3.542 110 2HG GLU 14 HG1 GLU 14 -4.406 -3.378 -4.875 111 H VAL 15 HN VAL 15 -3.072 -0.048 -1.304 112 HA VAL 15 HA VAL 15 -0.352 0.622 -1.928 113 HB VAL 15 HB VAL 15 -2.390 1.902 -0.069 114 1HG1 VAL 15 HG11 VAL 15 -0.432 3.005 0.528 115 2HG1 VAL 15 HG12 VAL 15 -0.946 3.983 -0.848 116 3HG1 VAL 15 HG13 VAL 15 0.310 2.762 -1.055 117 1HG2 VAL 15 HG21 VAL 15 -1.861 3.196 -2.630 118 2HG2 VAL 15 HG22 VAL 15 -3.401 2.703 -1.926 119 3HG2 VAL 15 HG23 VAL 15 -2.440 1.545 -2.846 120 H LEU 16 HN LEU 16 -1.914 -0.521 1.051 121 HA LEU 16 HA LEU 16 0.216 -0.009 2.895 122 1HB LEU 16 HB2 LEU 16 -2.171 -0.671 3.381 123 2HB LEU 16 HB1 LEU 16 -1.774 -2.304 2.847 124 HG LEU 16 HG LEU 16 0.139 -2.203 4.583 125 1HD1 LEU 16 HD11 LEU 16 0.059 0.203 5.009 126 2HD1 LEU 16 HD12 LEU 16 -0.345 -0.669 6.489 127 3HD1 LEU 16 HD13 LEU 16 -1.622 0.080 5.529 128 1HD2 LEU 16 HD21 LEU 16 -1.370 -2.946 6.363 129 2HD2 LEU 16 HD22 LEU 16 -1.946 -3.554 4.812 130 3HD2 LEU 16 HD23 LEU 16 -2.734 -2.166 5.563 131 H SER 17 HN SER 17 -0.578 -2.970 1.028 132 HA SER 17 HA SER 17 1.740 -4.477 1.821 133 1HB SER 17 HB2 SER 17 -0.249 -4.533 -0.446 134 2HB SER 17 HB1 SER 17 1.111 -5.651 -0.439 135 HG SER 17 HG SER 17 -1.060 -6.137 0.704 136 H ASP 18 HN ASP 18 1.088 -2.249 -0.876 137 HA ASP 18 HA ASP 18 3.574 -2.634 -2.282 138 1HB ASP 18 HB2 ASP 18 1.783 -1.625 -3.455 139 2HB ASP 18 HB1 ASP 18 1.419 -0.523 -2.131 140 H PHE 19 HN PHE 19 2.546 -0.345 0.272 141 HA PHE 19 HA PHE 19 4.909 1.255 0.373 142 1HB PHE 19 HB2 PHE 19 2.481 0.853 1.819 143 2HB PHE 19 HB1 PHE 19 3.796 0.804 2.989 144 HD1 PHE 19 HD1 PHE 19 5.147 2.753 3.458 145 HD2 PHE 19 HD2 PHE 19 2.143 2.852 0.389 146 HE1 PHE 19 HE1 PHE 19 5.356 5.220 3.334 147 HE2 PHE 19 HE2 PHE 19 2.351 5.320 0.265 148 HZ PHE 19 HZ PHE 19 3.957 6.504 1.738 149 H LYS 20 HN LYS 20 4.115 -1.882 1.836 150 HA LYS 20 HA LYS 20 6.382 -2.144 3.562 151 1HB LYS 20 HB2 LYS 20 4.156 -3.506 3.258 152 2HB LYS 20 HB1 LYS 20 5.097 -4.440 2.094 153 1HG LYS 20 HG2 LYS 20 6.324 -3.904 4.768 154 2HG LYS 20 HG1 LYS 20 5.035 -5.105 4.677 155 1HD LYS 20 HD2 LYS 20 6.479 -5.901 2.555 156 2HD LYS 20 HD1 LYS 20 7.776 -5.173 3.503 157 1HE LYS 20 HE2 LYS 20 5.842 -7.052 4.853 158 2HE LYS 20 HE1 LYS 20 7.189 -7.706 3.903 159 1HZ LYS 20 HZ1 LYS 20 7.490 -5.615 5.996 160 2HZ LYS 20 HZ2 LYS 20 8.737 -6.412 5.161 161 3HZ LYS 20 HZ3 LYS 20 7.769 -7.266 6.264 162 H THR 21 HN THR 21 5.900 -3.128 0.131 163 HA THR 21 HA THR 21 8.670 -4.115 -0.053 164 HB THR 21 HB THR 21 6.676 -5.091 -1.257 165 HG1 THR 21 HG1 THR 21 8.702 -4.115 -2.984 166 1HG2 THR 21 HG21 THR 21 5.450 -3.160 -1.934 167 2HG2 THR 21 HG22 THR 21 6.068 -3.882 -3.419 168 3HG2 THR 21 HG23 THR 21 6.855 -2.459 -2.737 169 H TRP 22 HN TRP 22 6.936 -1.129 -0.730 170 HA TRP 22 HA TRP 22 8.772 0.115 -2.543 171 1HB TRP 22 HB2 TRP 22 6.415 0.802 -1.736 172 2HB TRP 22 HB1 TRP 22 7.224 1.486 -0.331 173 HD1 TRP 22 HD1 TRP 22 6.775 1.982 -4.074 174 HE1 TRP 22 HE1 TRP 22 7.724 4.287 -4.733 175 HE3 TRP 22 HE3 TRP 22 9.001 3.311 0.325 176 HZ2 TRP 22 HZ2 TRP 22 9.230 6.414 -3.550 177 HZ3 TRP 22 HZ3 TRP 22 10.185 5.479 0.532 178 HH2 TRP 22 HH2 TRP 22 10.301 7.030 -1.398 179 H LEU 23 HN LEU 23 8.552 0.208 1.017 180 HA LEU 23 HA LEU 23 10.898 1.817 1.464 181 1HB LEU 23 HB2 LEU 23 8.978 0.158 2.976 182 2HB LEU 23 HB1 LEU 23 10.578 0.247 3.714 183 HG LEU 23 HG LEU 23 10.386 2.808 3.273 184 1HD1 LEU 23 HD11 LEU 23 8.255 2.378 1.872 185 2HD1 LEU 23 HD12 LEU 23 8.212 3.711 3.023 186 3HD1 LEU 23 HD13 LEU 23 7.438 2.178 3.421 187 1HD2 LEU 23 HD21 LEU 23 8.552 1.545 5.333 188 2HD2 LEU 23 HD22 LEU 23 9.335 3.121 5.440 189 3HD2 LEU 23 HD23 LEU 23 10.304 1.648 5.507 190 H LYS 24 HN LYS 24 10.398 -1.686 1.118 191 HA LYS 24 HA LYS 24 13.037 -2.522 1.931 192 1HB LYS 24 HB2 LYS 24 10.858 -3.860 1.648 193 2HB LYS 24 HB1 LYS 24 11.210 -3.862 -0.081 194 1HG LYS 24 HG2 LYS 24 13.608 -4.676 0.831 195 2HG LYS 24 HG1 LYS 24 12.594 -5.289 2.139 196 1HD LYS 24 HD2 LYS 24 11.345 -6.670 0.689 197 2HD LYS 24 HD1 LYS 24 11.867 -5.787 -0.746 198 1HE LYS 24 HE2 LYS 24 14.036 -7.036 0.874 199 2HE LYS 24 HE1 LYS 24 12.983 -8.143 -0.027 200 1HZ LYS 24 HZ1 LYS 24 14.146 -5.699 -1.244 201 2HZ LYS 24 HZ2 LYS 24 13.403 -7.007 -2.033 202 3HZ LYS 24 HZ3 LYS 24 14.928 -7.202 -1.308 203 H ALA 25 HN ALA 25 11.657 -1.409 -1.141 204 HA ALA 25 HA ALA 25 13.903 -2.163 -2.813 205 1HB ALA 25 HB1 ALA 25 11.836 0.023 -3.212 206 2HB ALA 25 HB2 ALA 25 11.510 -1.687 -3.496 207 3HB ALA 25 HB3 ALA 25 12.718 -0.847 -4.468 208 H LYS 26 HN LYS 26 12.900 0.935 -1.293 209 HA LYS 26 HA LYS 26 15.190 2.427 -2.244 210 1HB LYS 26 HB2 LYS 26 14.338 4.135 -0.708 211 2HB LYS 26 HB1 LYS 26 12.985 3.371 -1.537 212 1HG LYS 26 HG2 LYS 26 12.459 2.029 0.386 213 2HG LYS 26 HG1 LYS 26 13.949 2.503 1.200 214 1HD LYS 26 HD2 LYS 26 12.232 4.755 0.360 215 2HD LYS 26 HD1 LYS 26 11.534 3.719 1.605 216 1HE LYS 26 HE2 LYS 26 13.823 3.934 2.806 217 2HE LYS 26 HE1 LYS 26 14.105 5.306 1.717 218 1HZ LYS 26 HZ1 LYS 26 11.770 4.937 3.522 219 2HZ LYS 26 HZ2 LYS 26 11.930 6.199 2.395 220 3HZ LYS 26 HZ3 LYS 26 13.007 6.081 3.703 221 H LEU 27 HN LEU 27 14.578 0.483 0.657 222 HA LEU 27 HA LEU 27 17.302 1.180 1.686 223 1HB LEU 27 HB2 LEU 27 14.691 0.916 2.823 224 2HB LEU 27 HB1 LEU 27 15.703 -0.345 3.516 225 HG LEU 27 HG LEU 27 15.801 1.759 4.835 226 1HD1 LEU 27 HD11 LEU 27 17.772 0.146 4.568 227 2HD1 LEU 27 HD12 LEU 27 18.168 1.776 5.111 228 3HD1 LEU 27 HD13 LEU 27 18.442 1.316 3.431 229 1HD2 LEU 27 HD21 LEU 27 16.338 3.800 3.925 230 2HD2 LEU 27 HD22 LEU 27 15.658 3.062 2.475 231 3HD2 LEU 27 HD23 LEU 27 17.406 3.096 2.711 232 H MET 28 HN MET 28 17.974 -0.374 -0.147 233 HA MET 28 HA MET 28 17.436 -3.225 0.201 234 1HB MET 28 HB2 MET 28 19.043 -3.422 -1.664 235 2HB MET 28 HB1 MET 28 17.871 -2.149 -1.986 236 1HG MET 28 HG2 MET 28 19.536 -0.649 -2.196 237 2HG MET 28 HG1 MET 28 20.079 -1.002 -0.557 238 1HE MET 28 HE1 MET 28 20.230 -2.639 -4.292 239 2HE MET 28 HE2 MET 28 21.884 -2.071 -4.499 240 3HE MET 28 HE3 MET 28 20.619 -0.931 -4.049 241 HA PRO 29 HA PRO 29 20.643 -4.081 3.102 242 1HB PRO 29 HB2 PRO 29 21.073 -6.725 2.547 243 2HB PRO 29 HB1 PRO 29 19.643 -6.135 3.414 244 1HG PRO 29 HG2 PRO 29 19.928 -6.969 0.578 245 2HG PRO 29 HG1 PRO 29 18.567 -7.187 1.688 246 1HD PRO 29 HD2 PRO 29 18.670 -5.272 -0.276 247 2HD PRO 29 HD1 PRO 29 17.675 -5.151 1.190 248 H GLN 30 HN GLN 30 22.880 -5.431 3.041 249 HA GLN 30 HA GLN 30 24.328 -4.591 0.545 250 1HB GLN 30 HB2 GLN 30 24.697 -3.388 2.793 251 2HB GLN 30 HB1 GLN 30 25.481 -4.874 3.328 252 1HG GLN 30 HG2 GLN 30 27.331 -4.500 2.061 253 2HG GLN 30 HG1 GLN 30 26.388 -3.912 0.691 254 1HE2 GLN 30 HE21 GLN 30 26.176 -1.637 0.443 255 2HE2 GLN 30 HE22 GLN 30 26.820 -0.510 1.539 256 H LEU 31 HN LEU 31 25.622 -6.137 -0.440 257 HA LEU 31 HA LEU 31 25.957 -8.777 0.950 258 1HB LEU 31 HB2 LEU 31 24.505 -8.046 -1.440 259 2HB LEU 31 HB1 LEU 31 25.812 -9.154 -1.859 260 HG LEU 31 HG LEU 31 24.945 -10.467 0.275 261 1HD1 LEU 31 HD11 LEU 31 23.280 -8.804 0.941 262 2HD1 LEU 31 HD12 LEU 31 22.463 -10.284 0.440 263 3HD1 LEU 31 HD13 LEU 31 22.518 -8.895 -0.647 264 1HD2 LEU 31 HD21 LEU 31 23.410 -10.491 -2.343 265 2HD2 LEU 31 HD22 LEU 31 23.566 -11.830 -1.206 266 3HD2 LEU 31 HD23 LEU 31 24.977 -11.263 -2.099 Start of MODEL 47 1 1H SER 1 HT1 SER 1 -24.824 9.736 -3.974 2 2H SER 1 HT2 SER 1 -25.462 10.845 -5.092 3 3H SER 1 HT3 SER 1 -23.964 10.101 -5.390 4 HA SER 1 HA SER 1 -26.616 8.743 -5.315 5 1HB SER 1 HB2 SER 1 -24.653 9.393 -7.538 6 2HB SER 1 HB1 SER 1 -26.163 8.510 -7.741 7 HG SER 1 HG SER 1 -26.669 10.590 -8.182 8 H GLY 2 HN GLY 2 -23.204 8.288 -6.390 9 1HA GLY 2 HA2 GLY 2 -23.459 5.395 -5.777 10 2HA GLY 2 HA1 GLY 2 -22.154 6.137 -6.701 11 H SER 3 HN SER 3 -21.209 4.480 -4.886 12 HA SER 3 HA SER 3 -20.178 6.257 -2.711 13 1HB SER 3 HB2 SER 3 -22.147 4.489 -2.240 14 2HB SER 3 HB1 SER 3 -20.777 3.390 -2.114 15 HG SER 3 HG SER 3 -21.622 5.349 -0.417 16 H TRP 4 HN TRP 4 -18.040 6.360 -3.409 17 HA TRP 4 HA TRP 4 -16.687 3.808 -4.195 18 1HB TRP 4 HB2 TRP 4 -16.810 6.381 -5.308 19 2HB TRP 4 HB1 TRP 4 -15.197 6.276 -4.603 20 HD1 TRP 4 HD1 TRP 4 -17.503 4.134 -6.859 21 HE1 TRP 4 HE1 TRP 4 -16.022 2.893 -8.566 22 HE3 TRP 4 HE3 TRP 4 -12.885 5.651 -5.292 23 HZ2 TRP 4 HZ2 TRP 4 -13.248 2.586 -9.186 24 HZ3 TRP 4 HZ3 TRP 4 -10.843 4.869 -6.459 25 HH2 TRP 4 HH2 TRP 4 -11.020 3.340 -8.402 26 H LEU 5 HN LEU 5 -16.910 6.030 -1.582 27 HA LEU 5 HA LEU 5 -14.254 6.129 -0.580 28 1HB LEU 5 HB2 LEU 5 -17.026 6.443 0.410 29 2HB LEU 5 HB1 LEU 5 -15.846 6.037 1.656 30 HG LEU 5 HG LEU 5 -16.066 8.489 1.377 31 1HD1 LEU 5 HD11 LEU 5 -13.779 8.928 1.511 32 2HD1 LEU 5 HD12 LEU 5 -13.380 7.775 0.238 33 3HD1 LEU 5 HD13 LEU 5 -13.824 7.197 1.845 34 1HD2 LEU 5 HD21 LEU 5 -15.341 9.560 -0.698 35 2HD2 LEU 5 HD22 LEU 5 -16.650 8.432 -1.050 36 3HD2 LEU 5 HD23 LEU 5 -14.982 7.989 -1.414 37 H ARG 6 HN ARG 6 -16.838 3.722 0.070 38 HA ARG 6 HA ARG 6 -15.339 2.035 1.824 39 1HB ARG 6 HB2 ARG 6 -17.843 2.079 1.265 40 2HB ARG 6 HB1 ARG 6 -17.433 1.161 -0.185 41 1HG ARG 6 HG2 ARG 6 -17.611 -0.691 1.096 42 2HG ARG 6 HG1 ARG 6 -16.090 -0.196 1.839 43 1HD ARG 6 HD2 ARG 6 -18.756 0.859 2.826 44 2HD ARG 6 HD1 ARG 6 -18.039 -0.635 3.460 45 HE ARG 6 HE ARG 6 -15.923 0.967 3.737 46 1HH1 ARG 6 HH11 ARG 6 -17.991 0.634 5.982 47 2HH1 ARG 6 HH12 ARG 6 -18.265 2.287 6.421 48 1HH2 ARG 6 HH21 ARG 6 -16.816 3.567 3.532 49 2HH2 ARG 6 HH22 ARG 6 -17.599 3.953 5.028 50 H ASP 7 HN ASP 7 -15.546 2.175 -1.722 51 HA ASP 7 HA ASP 7 -14.077 -0.246 -2.274 52 1HB ASP 7 HB2 ASP 7 -15.497 0.805 -3.931 53 2HB ASP 7 HB1 ASP 7 -14.602 2.320 -3.809 54 H ILE 8 HN ILE 8 -13.103 3.169 -1.866 55 HA ILE 8 HA ILE 8 -10.374 2.963 -2.628 56 HB ILE 8 HB ILE 8 -11.860 4.661 -0.602 57 1HG1 ILE 8 HG12 ILE 8 -12.474 4.940 -2.988 58 2HG1 ILE 8 HG11 ILE 8 -11.674 6.380 -2.361 59 1HG2 ILE 8 HG21 ILE 8 -9.675 4.890 0.197 60 2HG2 ILE 8 HG22 ILE 8 -9.759 6.187 -0.995 61 3HG2 ILE 8 HG23 ILE 8 -8.960 4.667 -1.399 62 1HD1 ILE 8 HD11 ILE 8 -9.491 5.217 -3.262 63 2HD1 ILE 8 HD12 ILE 8 -10.553 6.064 -4.386 64 3HD1 ILE 8 HD13 ILE 8 -10.622 4.307 -4.266 65 H TRP 9 HN TRP 9 -11.954 2.230 0.496 66 HA TRP 9 HA TRP 9 -9.641 1.818 2.096 67 1HB TRP 9 HB2 TRP 9 -12.118 1.852 2.734 68 2HB TRP 9 HB1 TRP 9 -12.194 0.183 2.168 69 HD1 TRP 9 HD1 TRP 9 -11.962 -1.453 4.087 70 HE1 TRP 9 HE1 TRP 9 -10.627 -1.552 6.290 71 HE3 TRP 9 HE3 TRP 9 -9.555 3.047 3.866 72 HZ2 TRP 9 HZ2 TRP 9 -8.784 0.064 7.765 73 HZ3 TRP 9 HZ3 TRP 9 -8.017 3.741 5.680 74 HH2 TRP 9 HH2 TRP 9 -7.629 2.256 7.627 75 H ASP 10 HN ASP 10 -11.372 -0.441 -0.069 76 HA ASP 10 HA ASP 10 -9.685 -2.731 0.451 77 1HB ASP 10 HB2 ASP 10 -11.980 -2.753 -0.538 78 2HB ASP 10 HB1 ASP 10 -11.342 -1.972 -1.984 79 H TRP 11 HN TRP 11 -9.603 -0.085 -1.934 80 HA TRP 11 HA TRP 11 -7.425 -1.075 -3.531 81 1HB TRP 11 HB2 TRP 11 -9.058 0.737 -4.118 82 2HB TRP 11 HB1 TRP 11 -8.284 1.778 -2.922 83 HD1 TRP 11 HD1 TRP 11 -7.611 0.048 -6.273 84 HE1 TRP 11 HE1 TRP 11 -5.617 1.216 -7.416 85 HE3 TRP 11 HE3 TRP 11 -6.197 3.228 -2.539 86 HZ2 TRP 11 HZ2 TRP 11 -3.679 3.236 -6.824 87 HZ3 TRP 11 HZ3 TRP 11 -4.277 4.764 -2.854 88 HH2 TRP 11 HH2 TRP 11 -3.017 4.771 -4.990 89 H ILE 12 HN ILE 12 -7.550 0.898 -0.563 90 HA ILE 12 HA ILE 12 -4.771 1.622 -0.456 91 HB ILE 12 HB ILE 12 -6.955 1.216 1.613 92 1HG1 ILE 12 HG12 ILE 12 -5.635 3.803 0.798 93 2HG1 ILE 12 HG11 ILE 12 -6.929 3.113 -0.182 94 1HG2 ILE 12 HG21 ILE 12 -4.107 2.176 1.970 95 2HG2 ILE 12 HG22 ILE 12 -4.941 0.902 2.860 96 3HG2 ILE 12 HG23 ILE 12 -5.392 2.589 3.105 97 1HD1 ILE 12 HD11 ILE 12 -8.484 3.213 1.632 98 2HD1 ILE 12 HD12 ILE 12 -7.668 4.776 1.607 99 3HD1 ILE 12 HD13 ILE 12 -7.207 3.559 2.798 100 H CYS 13 HN CYS 13 -6.560 -1.257 0.619 101 HA CYS 13 HA CYS 13 -4.354 -2.511 2.022 102 1HB CYS 13 HB2 CYS 13 -6.857 -2.941 2.232 103 2HB CYS 13 HB1 CYS 13 -6.760 -3.796 0.693 104 HG CYS 13 HG CYS 13 -5.072 -4.714 3.166 105 H GLU 14 HN GLU 14 -5.514 -2.546 -1.339 106 HA GLU 14 HA GLU 14 -3.878 -4.739 -2.261 107 1HB GLU 14 HB2 GLU 14 -5.829 -2.931 -3.240 108 2HB GLU 14 HB1 GLU 14 -4.414 -2.732 -4.272 109 1HG GLU 14 HG2 GLU 14 -5.375 -5.495 -3.573 110 2HG GLU 14 HG1 GLU 14 -6.165 -4.589 -4.863 111 H VAL 15 HN VAL 15 -3.384 -1.248 -2.029 112 HA VAL 15 HA VAL 15 -0.773 -1.285 -3.369 113 HB VAL 15 HB VAL 15 -2.185 0.810 -1.673 114 1HG1 VAL 15 HG11 VAL 15 -0.055 1.683 -1.825 115 2HG1 VAL 15 HG12 VAL 15 -0.688 2.237 -3.375 116 3HG1 VAL 15 HG13 VAL 15 0.320 0.791 -3.299 117 1HG2 VAL 15 HG21 VAL 15 -3.497 0.075 -3.658 118 2HG2 VAL 15 HG22 VAL 15 -2.116 0.444 -4.688 119 3HG2 VAL 15 HG23 VAL 15 -2.938 1.739 -3.819 120 H LEU 16 HN LEU 16 -1.940 -1.793 -0.128 121 HA LEU 16 HA LEU 16 0.187 -0.940 1.506 122 1HB LEU 16 HB2 LEU 16 -2.088 -1.954 2.079 123 2HB LEU 16 HB1 LEU 16 -1.352 -3.532 1.804 124 HG LEU 16 HG LEU 16 0.477 -2.729 3.465 125 1HD1 LEU 16 HD11 LEU 16 -0.580 -1.133 5.177 126 2HD1 LEU 16 HD12 LEU 16 -1.749 -0.735 3.918 127 3HD1 LEU 16 HD13 LEU 16 -0.035 -0.411 3.663 128 1HD2 LEU 16 HD21 LEU 16 -1.201 -4.491 3.944 129 2HD2 LEU 16 HD22 LEU 16 -2.351 -3.249 4.438 130 3HD2 LEU 16 HD23 LEU 16 -0.876 -3.506 5.370 131 H SER 17 HN SER 17 -0.097 -3.994 -0.348 132 HA SER 17 HA SER 17 2.255 -5.280 0.636 133 1HB SER 17 HB2 SER 17 2.060 -6.537 -1.531 134 2HB SER 17 HB1 SER 17 0.528 -6.405 -0.672 135 HG SER 17 HG SER 17 -0.075 -5.674 -2.578 136 H ASP 18 HN ASP 18 1.799 -3.053 -2.129 137 HA ASP 18 HA ASP 18 4.546 -3.089 -3.020 138 1HB ASP 18 HB2 ASP 18 2.696 -2.371 -4.440 139 2HB ASP 18 HB1 ASP 18 2.275 -1.091 -3.302 140 H PHE 19 HN PHE 19 2.723 -0.979 -0.784 141 HA PHE 19 HA PHE 19 4.726 0.975 -0.271 142 1HB PHE 19 HB2 PHE 19 2.188 0.101 0.748 143 2HB PHE 19 HB1 PHE 19 3.274 0.335 2.116 144 HD1 PHE 19 HD1 PHE 19 4.045 2.524 2.747 145 HD2 PHE 19 HD2 PHE 19 1.773 1.971 -0.857 146 HE1 PHE 19 HE1 PHE 19 3.778 4.980 2.539 147 HE2 PHE 19 HE2 PHE 19 1.505 4.427 -1.064 148 HZ PHE 19 HZ PHE 19 2.506 5.932 0.634 149 H LYS 20 HN LYS 20 4.222 -2.277 1.056 150 HA LYS 20 HA LYS 20 6.163 -2.218 3.160 151 1HB LYS 20 HB2 LYS 20 4.377 -3.925 2.786 152 2HB LYS 20 HB1 LYS 20 5.250 -4.497 1.365 153 1HG LYS 20 HG2 LYS 20 6.916 -4.332 3.787 154 2HG LYS 20 HG1 LYS 20 5.584 -5.482 3.919 155 1HD LYS 20 HD2 LYS 20 7.456 -5.414 1.539 156 2HD LYS 20 HD1 LYS 20 7.752 -6.418 2.958 157 1HE LYS 20 HE2 LYS 20 5.182 -7.117 2.473 158 2HE LYS 20 HE1 LYS 20 5.702 -6.735 0.820 159 1HZ LYS 20 HZ1 LYS 20 7.171 -8.492 2.719 160 2HZ LYS 20 HZ2 LYS 20 7.641 -8.134 1.126 161 3HZ LYS 20 HZ3 LYS 20 6.231 -9.038 1.416 162 H THR 21 HN THR 21 6.419 -3.104 -0.304 163 HA THR 21 HA THR 21 9.267 -3.741 -0.157 164 HB THR 21 HB THR 21 7.707 -2.959 -2.631 165 HG1 THR 21 HG1 THR 21 6.399 -4.543 -2.287 166 1HG2 THR 21 HG21 THR 21 9.076 -4.795 -3.613 167 2HG2 THR 21 HG22 THR 21 9.859 -5.012 -2.048 168 3HG2 THR 21 HG23 THR 21 10.064 -3.502 -2.935 169 H TRP 22 HN TRP 22 7.322 -0.924 -1.137 170 HA TRP 22 HA TRP 22 9.376 0.757 -2.162 171 1HB TRP 22 HB2 TRP 22 6.767 0.956 -2.013 172 2HB TRP 22 HB1 TRP 22 7.076 1.719 -0.459 173 HD1 TRP 22 HD1 TRP 22 7.647 2.210 -4.206 174 HE1 TRP 22 HE1 TRP 22 8.261 4.677 -4.629 175 HE3 TRP 22 HE3 TRP 22 8.082 3.847 0.611 176 HZ2 TRP 22 HZ2 TRP 22 8.859 7.035 -3.122 177 HZ3 TRP 22 HZ3 TRP 22 8.674 6.206 1.089 178 HH2 TRP 22 HH2 TRP 22 9.062 7.801 -0.770 179 H LEU 23 HN LEU 23 8.085 0.471 1.157 180 HA LEU 23 HA LEU 23 9.885 2.347 2.385 181 1HB LEU 23 HB2 LEU 23 8.078 0.111 3.256 182 2HB LEU 23 HB1 LEU 23 9.174 0.825 4.438 183 HG LEU 23 HG LEU 23 7.387 2.537 2.707 184 1HD1 LEU 23 HD11 LEU 23 6.760 1.469 5.477 185 2HD1 LEU 23 HD12 LEU 23 6.004 0.898 3.990 186 3HD1 LEU 23 HD13 LEU 23 5.757 2.561 4.523 187 1HD2 LEU 23 HD21 LEU 23 8.603 2.997 5.449 188 2HD2 LEU 23 HD22 LEU 23 7.787 4.190 4.438 189 3HD2 LEU 23 HD23 LEU 23 9.346 3.532 3.942 190 H LYS 24 HN LYS 24 10.136 -1.161 1.766 191 HA LYS 24 HA LYS 24 12.425 -1.706 3.395 192 1HB LYS 24 HB2 LYS 24 10.921 -2.913 1.165 193 2HB LYS 24 HB1 LYS 24 12.619 -3.385 1.207 194 1HG LYS 24 HG2 LYS 24 11.785 -3.507 3.882 195 2HG LYS 24 HG1 LYS 24 10.447 -4.196 2.962 196 1HD LYS 24 HD2 LYS 24 11.920 -5.788 1.886 197 2HD LYS 24 HD1 LYS 24 13.341 -5.020 2.596 198 1HE LYS 24 HE2 LYS 24 12.495 -5.610 4.871 199 2HE LYS 24 HE1 LYS 24 11.136 -6.463 4.115 200 1HZ LYS 24 HZ1 LYS 24 13.136 -7.880 4.610 201 2HZ LYS 24 HZ2 LYS 24 13.973 -7.001 3.420 202 3HZ LYS 24 HZ3 LYS 24 12.607 -7.921 2.999 203 H ALA 25 HN ALA 25 12.183 -0.669 -0.024 204 HA ALA 25 HA ALA 25 15.031 -0.652 -0.524 205 1HB ALA 25 HB1 ALA 25 14.350 0.503 -2.565 206 2HB ALA 25 HB2 ALA 25 12.793 0.919 -1.846 207 3HB ALA 25 HB3 ALA 25 13.174 -0.764 -2.213 208 H LYS 26 HN LYS 26 12.740 1.771 0.697 209 HA LYS 26 HA LYS 26 14.561 4.025 0.531 210 1HB LYS 26 HB2 LYS 26 11.915 3.362 1.773 211 2HB LYS 26 HB1 LYS 26 12.747 4.820 2.315 212 1HG LYS 26 HG2 LYS 26 12.392 4.243 -0.625 213 2HG LYS 26 HG1 LYS 26 11.117 5.031 0.305 214 1HD LYS 26 HD2 LYS 26 13.902 6.095 0.562 215 2HD LYS 26 HD1 LYS 26 13.009 6.457 -0.916 216 1HE LYS 26 HE2 LYS 26 11.208 7.491 0.342 217 2HE LYS 26 HE1 LYS 26 11.928 6.973 1.879 218 1HZ LYS 26 HZ1 LYS 26 13.951 8.221 1.250 219 2HZ LYS 26 HZ2 LYS 26 12.595 9.227 1.438 220 3HZ LYS 26 HZ3 LYS 26 13.142 8.816 -0.118 221 H LEU 27 HN LEU 27 14.332 1.357 2.726 222 HA LEU 27 HA LEU 27 15.551 2.814 4.995 223 1HB LEU 27 HB2 LEU 27 13.989 0.455 4.522 224 2HB LEU 27 HB1 LEU 27 15.475 -0.022 5.340 225 HG LEU 27 HG LEU 27 14.856 2.174 6.790 226 1HD1 LEU 27 HD11 LEU 27 12.464 2.300 7.157 227 2HD1 LEU 27 HD12 LEU 27 12.180 0.946 6.063 228 3HD1 LEU 27 HD13 LEU 27 12.761 2.487 5.429 229 1HD2 LEU 27 HD21 LEU 27 13.771 0.562 8.405 230 2HD2 LEU 27 HD22 LEU 27 15.319 0.009 7.769 231 3HD2 LEU 27 HD23 LEU 27 13.815 -0.655 7.130 232 H MET 28 HN MET 28 17.146 2.671 2.531 233 HA MET 28 HA MET 28 19.342 0.801 3.342 234 1HB MET 28 HB2 MET 28 18.152 0.678 1.061 235 2HB MET 28 HB1 MET 28 18.961 2.200 0.685 236 1HG MET 28 HG2 MET 28 21.151 1.142 1.138 237 2HG MET 28 HG1 MET 28 20.336 -0.381 1.490 238 1HE MET 28 HE1 MET 28 22.168 1.594 -1.022 239 2HE MET 28 HE2 MET 28 20.649 2.485 -1.099 240 3HE MET 28 HE3 MET 28 21.209 1.588 -2.509 241 HA PRO 29 HA PRO 29 21.254 4.716 4.484 242 1HB PRO 29 HB2 PRO 29 23.434 3.601 5.705 243 2HB PRO 29 HB1 PRO 29 21.851 3.752 6.489 244 1HG PRO 29 HG2 PRO 29 23.115 1.381 5.215 245 2HG PRO 29 HG1 PRO 29 22.108 1.478 6.667 246 1HD PRO 29 HD2 PRO 29 21.190 0.632 4.236 247 2HD PRO 29 HD1 PRO 29 20.158 1.375 5.478 248 H GLN 30 HN GLN 30 23.628 5.526 4.195 249 HA GLN 30 HA GLN 30 24.523 4.743 1.463 250 1HB GLN 30 HB2 GLN 30 24.047 7.150 2.708 251 2HB GLN 30 HB1 GLN 30 25.798 7.008 2.868 252 1HG GLN 30 HG2 GLN 30 25.364 8.123 0.776 253 2HG GLN 30 HG1 GLN 30 25.892 6.484 0.395 254 1HE2 GLN 30 HE21 GLN 30 22.830 8.319 0.972 255 2HE2 GLN 30 HE22 GLN 30 21.922 7.437 -0.158 256 H LEU 31 HN LEU 31 25.925 5.373 4.705 257 HA LEU 31 HA LEU 31 27.906 4.593 5.714 258 1HB LEU 31 HB2 LEU 31 27.229 2.372 3.760 259 2HB LEU 31 HB1 LEU 31 28.476 2.223 4.996 260 HG LEU 31 HG LEU 31 25.767 3.159 5.850 261 1HD1 LEU 31 HD11 LEU 31 26.485 0.328 5.057 262 2HD1 LEU 31 HD12 LEU 31 25.112 1.289 4.507 263 3HD1 LEU 31 HD13 LEU 31 25.167 0.700 6.168 264 1HD2 LEU 31 HD21 LEU 31 26.386 1.976 7.887 265 2HD2 LEU 31 HD22 LEU 31 27.740 2.992 7.392 266 3HD2 LEU 31 HD23 LEU 31 27.781 1.255 7.085 Start of MODEL 48 1 1H SER 1 HT1 SER 1 -17.417 5.168 -9.141 2 2H SER 1 HT2 SER 1 -17.997 3.672 -8.583 3 3H SER 1 HT3 SER 1 -17.838 4.978 -7.509 4 HA SER 1 HA SER 1 -19.548 6.209 -8.785 5 1HB SER 1 HB2 SER 1 -20.812 4.668 -10.412 6 2HB SER 1 HB1 SER 1 -19.217 5.206 -10.927 7 HG SER 1 HG SER 1 -20.028 2.697 -9.905 8 H GLY 2 HN GLY 2 -21.666 6.103 -7.894 9 1HA GLY 2 HA2 GLY 2 -23.356 5.388 -6.431 10 2HA GLY 2 HA1 GLY 2 -22.893 3.739 -6.849 11 H SER 3 HN SER 3 -22.438 2.621 -5.016 12 HA SER 3 HA SER 3 -21.426 3.999 -2.610 13 1HB SER 3 HB2 SER 3 -23.201 2.136 -2.765 14 2HB SER 3 HB1 SER 3 -21.857 1.035 -3.057 15 HG SER 3 HG SER 3 -22.743 1.841 -0.748 16 H TRP 4 HN TRP 4 -19.304 4.623 -3.496 17 HA TRP 4 HA TRP 4 -17.424 2.402 -4.127 18 1HB TRP 4 HB2 TRP 4 -17.837 4.727 -5.350 19 2HB TRP 4 HB1 TRP 4 -16.703 5.311 -4.132 20 HD1 TRP 4 HD1 TRP 4 -16.951 2.567 -6.839 21 HE1 TRP 4 HE1 TRP 4 -14.574 2.072 -7.704 22 HE3 TRP 4 HE3 TRP 4 -14.235 5.584 -3.738 23 HZ2 TRP 4 HZ2 TRP 4 -11.877 2.853 -7.154 24 HZ3 TRP 4 HZ3 TRP 4 -11.768 5.688 -3.932 25 HH2 TRP 4 HH2 TRP 4 -10.585 4.327 -5.633 26 H LEU 5 HN LEU 5 -18.477 3.564 -1.291 27 HA LEU 5 HA LEU 5 -16.106 4.467 0.082 28 1HB LEU 5 HB2 LEU 5 -18.714 4.451 0.643 29 2HB LEU 5 HB1 LEU 5 -18.301 2.936 1.446 30 HG LEU 5 HG LEU 5 -16.600 5.358 1.945 31 1HD1 LEU 5 HD11 LEU 5 -19.188 4.753 3.409 32 2HD1 LEU 5 HD12 LEU 5 -18.987 6.061 2.241 33 3HD1 LEU 5 HD13 LEU 5 -18.070 6.074 3.747 34 1HD2 LEU 5 HD21 LEU 5 -15.707 3.494 3.017 35 2HD2 LEU 5 HD22 LEU 5 -17.291 2.768 3.298 36 3HD2 LEU 5 HD23 LEU 5 -16.756 4.128 4.284 37 H ARG 6 HN ARG 6 -17.592 1.243 -0.340 38 HA ARG 6 HA ARG 6 -15.578 -0.137 1.264 39 1HB ARG 6 HB2 ARG 6 -18.057 -0.745 0.579 40 2HB ARG 6 HB1 ARG 6 -17.288 -1.416 -0.860 41 1HG ARG 6 HG2 ARG 6 -15.896 -2.873 0.492 42 2HG ARG 6 HG1 ARG 6 -16.484 -2.122 1.977 43 1HD ARG 6 HD2 ARG 6 -18.349 -3.490 0.011 44 2HD ARG 6 HD1 ARG 6 -17.599 -4.343 1.375 45 HE ARG 6 HE ARG 6 -18.704 -1.944 2.405 46 1HH1 ARG 6 HH21 ARG 6 -19.409 -4.517 3.624 47 2HH1 ARG 6 HH22 ARG 6 -21.078 -4.713 3.209 48 1HH2 ARG 6 HH11 ARG 6 -20.997 -2.334 0.674 49 2HH2 ARG 6 HH12 ARG 6 -21.982 -3.472 1.532 50 H ASP 7 HN ASP 7 -16.025 0.714 -2.129 51 HA ASP 7 HA ASP 7 -14.053 -0.995 -3.313 52 1HB ASP 7 HB2 ASP 7 -15.959 0.772 -4.143 53 2HB ASP 7 HB1 ASP 7 -14.502 1.727 -4.411 54 H ILE 8 HN ILE 8 -13.837 2.234 -1.814 55 HA ILE 8 HA ILE 8 -11.145 2.836 -2.595 56 HB ILE 8 HB ILE 8 -13.156 4.196 -1.457 57 1HG1 ILE 8 HG12 ILE 8 -10.308 4.901 -0.723 58 2HG1 ILE 8 HG11 ILE 8 -10.886 4.980 -2.387 59 1HG2 ILE 8 HG21 ILE 8 -11.335 3.727 0.915 60 2HG2 ILE 8 HG22 ILE 8 -12.840 2.836 0.692 61 3HG2 ILE 8 HG23 ILE 8 -12.874 4.587 0.879 62 1HD1 ILE 8 HD11 ILE 8 -12.874 6.348 -1.260 63 2HD1 ILE 8 HD12 ILE 8 -11.362 7.139 -1.709 64 3HD1 ILE 8 HD13 ILE 8 -11.644 6.665 -0.035 65 H TRP 9 HN TRP 9 -12.466 0.939 0.098 66 HA TRP 9 HA TRP 9 -10.144 0.757 1.740 67 1HB TRP 9 HB2 TRP 9 -12.526 0.034 2.220 68 2HB TRP 9 HB1 TRP 9 -12.232 -1.382 1.210 69 HD1 TRP 9 HD1 TRP 9 -11.900 -3.353 2.783 70 HE1 TRP 9 HE1 TRP 9 -10.485 -3.812 4.887 71 HE3 TRP 9 HE3 TRP 9 -9.939 1.298 3.564 72 HZ2 TRP 9 HZ2 TRP 9 -8.749 -2.395 6.667 73 HZ3 TRP 9 HZ3 TRP 9 -8.409 1.715 5.468 74 HH2 TRP 9 HH2 TRP 9 -7.813 -0.124 7.019 75 H ASP 10 HN ASP 10 -11.143 -1.160 -1.094 76 HA ASP 10 HA ASP 10 -9.145 -3.187 -0.999 77 1HB ASP 10 HB2 ASP 10 -11.196 -3.053 -2.452 78 2HB ASP 10 HB1 ASP 10 -10.377 -1.826 -3.418 79 H TRP 11 HN TRP 11 -9.102 -0.001 -2.653 80 HA TRP 11 HA TRP 11 -6.422 -0.240 -3.688 81 1HB TRP 11 HB2 TRP 11 -8.058 1.325 -4.589 82 2HB TRP 11 HB1 TRP 11 -8.210 2.126 -3.025 83 HD1 TRP 11 HD1 TRP 11 -5.743 1.653 -5.920 84 HE1 TRP 11 HE1 TRP 11 -3.990 3.541 -5.820 85 HE3 TRP 11 HE3 TRP 11 -7.066 3.852 -1.508 86 HZ2 TRP 11 HZ2 TRP 11 -3.246 5.699 -4.094 87 HZ3 TRP 11 HZ3 TRP 11 -5.820 5.818 -0.658 88 HH2 TRP 11 HH2 TRP 11 -3.914 6.744 -1.944 89 H ILE 12 HN ILE 12 -7.751 1.138 -0.668 90 HA ILE 12 HA ILE 12 -5.368 2.314 0.364 91 HB ILE 12 HB ILE 12 -7.825 1.036 1.601 92 1HG1 ILE 12 HG12 ILE 12 -6.961 3.936 1.599 93 2HG1 ILE 12 HG11 ILE 12 -7.871 3.238 0.259 94 1HG2 ILE 12 HG21 ILE 12 -7.084 2.263 3.712 95 2HG2 ILE 12 HG22 ILE 12 -5.493 2.405 2.964 96 3HG2 ILE 12 HG23 ILE 12 -6.163 0.812 3.315 97 1HD1 ILE 12 HD11 ILE 12 -8.775 3.128 3.151 98 2HD1 ILE 12 HD12 ILE 12 -9.702 2.644 1.730 99 3HD1 ILE 12 HD13 ILE 12 -9.318 4.345 1.996 100 H CYS 13 HN CYS 13 -6.562 -1.034 0.437 101 HA CYS 13 HA CYS 13 -4.495 -2.093 2.172 102 1HB CYS 13 HB2 CYS 13 -6.764 -3.080 1.651 103 2HB CYS 13 HB1 CYS 13 -6.165 -3.471 0.039 104 HG CYS 13 HG CYS 13 -4.370 -5.044 1.178 105 H GLU 14 HN GLU 14 -4.829 -1.642 -1.339 106 HA GLU 14 HA GLU 14 -2.545 -3.164 -2.178 107 1HB GLU 14 HB2 GLU 14 -4.504 -1.279 -3.225 108 2HB GLU 14 HB1 GLU 14 -2.914 -0.996 -3.926 109 1HG GLU 14 HG2 GLU 14 -2.817 -3.101 -4.907 110 2HG GLU 14 HG1 GLU 14 -3.932 -3.809 -3.736 111 H VAL 15 HN VAL 15 -2.955 0.201 -1.155 112 HA VAL 15 HA VAL 15 -0.254 1.064 -1.738 113 HB VAL 15 HB VAL 15 -2.428 2.071 0.133 114 1HG1 VAL 15 HG11 VAL 15 0.312 3.095 -0.508 115 2HG1 VAL 15 HG12 VAL 15 -0.592 3.184 1.003 116 3HG1 VAL 15 HG13 VAL 15 -0.992 4.269 -0.328 117 1HG2 VAL 15 HG21 VAL 15 -2.179 3.860 -1.930 118 2HG2 VAL 15 HG22 VAL 15 -3.352 2.543 -1.900 119 3HG2 VAL 15 HG23 VAL 15 -1.819 2.339 -2.749 120 H LEU 16 HN LEU 16 -1.843 -0.382 1.103 121 HA LEU 16 HA LEU 16 0.241 0.019 3.022 122 1HB LEU 16 HB2 LEU 16 -2.213 -0.882 3.198 123 2HB LEU 16 HB1 LEU 16 -1.486 -2.454 2.867 124 HG LEU 16 HG LEU 16 -0.210 -0.758 4.973 125 1HD1 LEU 16 HD11 LEU 16 -2.658 -0.609 5.429 126 2HD1 LEU 16 HD12 LEU 16 -1.796 -1.521 6.668 127 3HD1 LEU 16 HD13 LEU 16 -2.737 -2.371 5.443 128 1HD2 LEU 16 HD21 LEU 16 -0.256 -3.210 5.985 129 2HD2 LEU 16 HD22 LEU 16 0.902 -2.789 4.723 130 3HD2 LEU 16 HD23 LEU 16 -0.573 -3.664 4.310 131 H SER 17 HN SER 17 -0.406 -2.779 0.861 132 HA SER 17 HA SER 17 1.999 -4.222 1.565 133 1HB SER 17 HB2 SER 17 1.407 -5.440 -0.595 134 2HB SER 17 HB1 SER 17 0.105 -5.356 0.587 135 HG SER 17 HG SER 17 0.405 -4.064 -1.871 136 H ASP 18 HN ASP 18 1.192 -1.836 -0.939 137 HA ASP 18 HA ASP 18 3.608 -2.028 -2.479 138 1HB ASP 18 HB2 ASP 18 1.590 -0.939 -3.297 139 2HB ASP 18 HB1 ASP 18 1.618 0.208 -1.959 140 H PHE 19 HN PHE 19 2.685 0.082 0.270 141 HA PHE 19 HA PHE 19 5.078 1.624 0.426 142 1HB PHE 19 HB2 PHE 19 2.677 1.214 1.874 143 2HB PHE 19 HB1 PHE 19 3.985 0.959 3.026 144 HD1 PHE 19 HD1 PHE 19 2.479 3.368 0.653 145 HD2 PHE 19 HD2 PHE 19 5.440 2.760 3.704 146 HE1 PHE 19 HE1 PHE 19 2.843 5.818 0.789 147 HE2 PHE 19 HE2 PHE 19 5.804 5.208 3.840 148 HZ PHE 19 HZ PHE 19 4.506 6.738 2.382 149 H LYS 20 HN LYS 20 4.259 -1.588 1.695 150 HA LYS 20 HA LYS 20 6.596 -2.012 3.306 151 1HB LYS 20 HB2 LYS 20 4.321 -3.296 3.055 152 2HB LYS 20 HB1 LYS 20 5.152 -4.170 1.767 153 1HG LYS 20 HG2 LYS 20 5.987 -5.512 3.379 154 2HG LYS 20 HG1 LYS 20 7.000 -4.151 3.856 155 1HD LYS 20 HD2 LYS 20 5.784 -3.749 5.728 156 2HD LYS 20 HD1 LYS 20 4.250 -3.992 4.891 157 1HE LYS 20 HE2 LYS 20 4.530 -6.436 5.033 158 2HE LYS 20 HE1 LYS 20 6.098 -6.217 5.836 159 1HZ LYS 20 HZ1 LYS 20 3.465 -5.234 6.815 160 2HZ LYS 20 HZ2 LYS 20 4.960 -4.897 7.550 161 3HZ LYS 20 HZ3 LYS 20 4.377 -6.492 7.491 162 H THR 21 HN THR 21 5.911 -2.604 -0.155 163 HA THR 21 HA THR 21 8.449 -3.906 -0.712 164 HB THR 21 HB THR 21 6.576 -2.410 -2.580 165 HG1 THR 21 HG1 THR 21 5.199 -3.906 -2.134 166 1HG2 THR 21 HG21 THR 21 7.567 -4.727 -3.791 167 2HG2 THR 21 HG22 THR 21 8.952 -4.052 -2.935 168 3HG2 THR 21 HG23 THR 21 8.084 -3.072 -4.116 169 H TRP 22 HN TRP 22 7.260 -0.556 -0.863 170 HA TRP 22 HA TRP 22 9.448 0.662 -2.222 171 1HB TRP 22 HB2 TRP 22 7.175 1.606 -1.502 172 2HB TRP 22 HB1 TRP 22 7.872 1.814 0.100 173 HD1 TRP 22 HD1 TRP 22 7.806 3.330 -3.336 174 HE1 TRP 22 HE1 TRP 22 9.269 5.453 -3.374 175 HE3 TRP 22 HE3 TRP 22 10.117 2.895 1.199 176 HZ2 TRP 22 HZ2 TRP 22 11.167 6.789 -1.701 177 HZ3 TRP 22 HZ3 TRP 22 11.746 4.604 1.949 178 HH2 TRP 22 HH2 TRP 22 12.273 6.549 0.507 179 H LEU 23 HN LEU 23 8.873 0.308 1.286 180 HA LEU 23 HA LEU 23 11.425 1.314 2.138 181 1HB LEU 23 HB2 LEU 23 9.337 -0.507 3.370 182 2HB LEU 23 HB1 LEU 23 10.739 0.075 4.267 183 HG LEU 23 HG LEU 23 8.906 1.985 2.813 184 1HD1 LEU 23 HD11 LEU 23 7.369 0.950 4.272 185 2HD1 LEU 23 HD12 LEU 23 7.947 2.336 5.198 186 3HD1 LEU 23 HD13 LEU 23 8.581 0.724 5.533 187 1HD2 LEU 23 HD21 LEU 23 11.000 2.953 3.485 188 2HD2 LEU 23 HD22 LEU 23 10.913 2.192 5.073 189 3HD2 LEU 23 HD23 LEU 23 9.801 3.496 4.658 190 H LYS 24 HN LYS 24 10.292 -1.975 1.336 191 HA LYS 24 HA LYS 24 12.684 -3.353 2.216 192 1HB LYS 24 HB2 LYS 24 10.333 -4.261 1.768 193 2HB LYS 24 HB1 LYS 24 10.722 -4.169 0.050 194 1HG LYS 24 HG2 LYS 24 12.297 -5.867 0.172 195 2HG LYS 24 HG1 LYS 24 12.649 -5.561 1.874 196 1HD LYS 24 HD2 LYS 24 10.694 -6.666 2.604 197 2HD LYS 24 HD1 LYS 24 9.947 -6.585 1.009 198 1HE LYS 24 HE2 LYS 24 12.523 -8.019 1.012 199 2HE LYS 24 HE1 LYS 24 11.269 -8.799 1.995 200 1HZ LYS 24 HZ1 LYS 24 11.097 -9.463 -0.336 201 2HZ LYS 24 HZ2 LYS 24 10.918 -7.839 -0.801 202 3HZ LYS 24 HZ3 LYS 24 9.726 -8.590 0.147 203 H ALA 25 HN ALA 25 11.582 -2.102 -0.950 204 HA ALA 25 HA ALA 25 13.805 -3.008 -2.515 205 1HB ALA 25 HB1 ALA 25 11.947 -0.621 -2.773 206 2HB ALA 25 HB2 ALA 25 11.683 -2.227 -3.450 207 3HB ALA 25 HB3 ALA 25 12.990 -1.215 -4.066 208 H LYS 26 HN LYS 26 13.303 -0.066 -0.572 209 HA LYS 26 HA LYS 26 15.681 1.327 -1.444 210 1HB LYS 26 HB2 LYS 26 13.643 2.294 -0.356 211 2HB LYS 26 HB1 LYS 26 14.106 1.496 1.146 212 1HG LYS 26 HG2 LYS 26 16.313 3.025 -0.002 213 2HG LYS 26 HG1 LYS 26 14.906 4.034 0.326 214 1HD LYS 26 HD2 LYS 26 15.894 2.068 2.386 215 2HD LYS 26 HD1 LYS 26 16.628 3.665 2.244 216 1HE LYS 26 HE2 LYS 26 14.943 4.445 3.552 217 2HE LYS 26 HE1 LYS 26 13.845 4.132 2.194 218 1HZ LYS 26 HZ1 LYS 26 13.233 2.921 4.258 219 2HZ LYS 26 HZ2 LYS 26 14.697 2.067 4.158 220 3HZ LYS 26 HZ3 LYS 26 13.524 1.896 2.941 221 H LEU 27 HN LEU 27 15.060 -1.146 1.000 222 HA LEU 27 HA LEU 27 17.657 -0.785 2.339 223 1HB LEU 27 HB2 LEU 27 15.305 -1.577 3.227 224 2HB LEU 27 HB1 LEU 27 15.826 -3.153 2.633 225 HG LEU 27 HG LEU 27 18.055 -2.501 3.956 226 1HD1 LEU 27 HD11 LEU 27 17.623 -1.206 5.933 227 2HD1 LEU 27 HD12 LEU 27 15.893 -1.148 5.591 228 3HD1 LEU 27 HD13 LEU 27 17.024 -0.260 4.570 229 1HD2 LEU 27 HD21 LEU 27 17.084 -3.711 5.928 230 2HD2 LEU 27 HD22 LEU 27 16.739 -4.507 4.392 231 3HD2 LEU 27 HD23 LEU 27 15.489 -3.554 5.192 232 H MET 28 HN MET 28 16.423 -2.613 -0.360 233 HA MET 28 HA MET 28 18.066 -4.918 -0.337 234 1HB MET 28 HB2 MET 28 16.706 -3.228 -2.408 235 2HB MET 28 HB1 MET 28 17.781 -4.517 -2.945 236 1HG MET 28 HG2 MET 28 15.472 -4.891 -1.015 237 2HG MET 28 HG1 MET 28 15.414 -5.277 -2.734 238 1HE MET 28 HE1 MET 28 16.620 -7.008 -3.912 239 2HE MET 28 HE2 MET 28 17.789 -8.153 -3.258 240 3HE MET 28 HE3 MET 28 18.227 -6.454 -3.422 241 HA PRO 29 HA PRO 29 21.428 -2.523 -2.732 242 1HB PRO 29 HB2 PRO 29 21.211 0.195 -3.000 243 2HB PRO 29 HB1 PRO 29 20.530 -0.951 -4.165 244 1HG PRO 29 HG2 PRO 29 19.174 0.593 -2.028 245 2HG PRO 29 HG1 PRO 29 18.595 0.139 -3.636 246 1HD PRO 29 HD2 PRO 29 17.871 -1.122 -1.303 247 2HD PRO 29 HD1 PRO 29 17.792 -1.860 -2.915 248 H GLN 30 HN GLN 30 20.984 0.579 -1.155 249 HA GLN 30 HA GLN 30 22.128 -0.194 1.414 250 1HB GLN 30 HB2 GLN 30 24.273 1.172 0.901 251 2HB GLN 30 HB1 GLN 30 24.159 -0.451 0.228 252 1HG GLN 30 HG2 GLN 30 22.954 1.388 -1.622 253 2HG GLN 30 HG1 GLN 30 24.544 2.001 -1.176 254 1HE2 GLN 30 HE21 GLN 30 26.333 0.163 -1.199 255 2HE2 GLN 30 HE22 GLN 30 26.250 -0.925 -2.500 256 H LEU 31 HN LEU 31 21.698 2.509 -0.906 257 HA LEU 31 HA LEU 31 20.776 4.202 1.392 258 1HB LEU 31 HB2 LEU 31 22.800 4.622 -0.756 259 2HB LEU 31 HB1 LEU 31 21.795 6.010 -0.339 260 HG LEU 31 HG LEU 31 22.891 4.485 1.958 261 1HD1 LEU 31 HD11 LEU 31 24.641 6.188 0.155 262 2HD1 LEU 31 HD12 LEU 31 24.827 4.459 0.456 263 3HD1 LEU 31 HD13 LEU 31 25.096 5.615 1.760 264 1HD2 LEU 31 HD21 LEU 31 22.825 7.444 1.283 265 2HD2 LEU 31 HD22 LEU 31 23.124 6.734 2.869 266 3HD2 LEU 31 HD23 LEU 31 21.533 6.587 2.123 Start of MODEL 49 1 1H SER 1 HT1 SER 1 -19.281 5.221 -12.020 2 2H SER 1 HT2 SER 1 -19.379 6.511 -13.121 3 3H SER 1 HT3 SER 1 -20.791 5.706 -12.622 4 HA SER 1 HA SER 1 -19.034 7.403 -10.915 5 1HB SER 1 HB2 SER 1 -21.198 8.752 -10.896 6 2HB SER 1 HB1 SER 1 -20.369 8.693 -12.449 7 HG SER 1 HG SER 1 -22.722 8.234 -12.404 8 H GLY 2 HN GLY 2 -19.536 7.342 -8.692 9 1HA GLY 2 HA2 GLY 2 -20.689 6.680 -6.723 10 2HA GLY 2 HA1 GLY 2 -21.859 5.822 -7.727 11 H SER 3 HN SER 3 -21.774 3.837 -6.664 12 HA SER 3 HA SER 3 -20.852 1.821 -5.820 13 1HB SER 3 HB2 SER 3 -19.758 0.620 -7.690 14 2HB SER 3 HB1 SER 3 -21.166 1.520 -8.242 15 HG SER 3 HG SER 3 -19.895 2.871 -9.302 16 H TRP 4 HN TRP 4 -19.446 3.814 -4.544 17 HA TRP 4 HA TRP 4 -16.563 3.053 -4.831 18 1HB TRP 4 HB2 TRP 4 -17.971 5.513 -4.634 19 2HB TRP 4 HB1 TRP 4 -17.079 5.330 -3.126 20 HD1 TRP 4 HD1 TRP 4 -15.928 4.071 -6.577 21 HE1 TRP 4 HE1 TRP 4 -13.703 5.232 -7.170 22 HE3 TRP 4 HE3 TRP 4 -15.541 7.311 -2.646 23 HZ2 TRP 4 HZ2 TRP 4 -11.992 7.269 -6.121 24 HZ3 TRP 4 HZ3 TRP 4 -13.610 8.850 -2.471 25 HH2 TRP 4 HH2 TRP 4 -11.835 8.833 -4.202 26 H LEU 5 HN LEU 5 -15.886 4.061 -2.185 27 HA LEU 5 HA LEU 5 -15.808 3.402 0.079 28 1HB LEU 5 HB2 LEU 5 -18.396 3.614 -0.396 29 2HB LEU 5 HB1 LEU 5 -18.359 1.853 -0.316 30 HG LEU 5 HG LEU 5 -16.900 3.247 1.854 31 1HD1 LEU 5 HD11 LEU 5 -18.835 4.725 1.672 32 2HD1 LEU 5 HD12 LEU 5 -19.016 3.701 3.096 33 3HD1 LEU 5 HD13 LEU 5 -19.924 3.338 1.628 34 1HD2 LEU 5 HD21 LEU 5 -17.845 1.447 3.170 35 2HD2 LEU 5 HD22 LEU 5 -17.279 0.758 1.648 36 3HD2 LEU 5 HD23 LEU 5 -19.000 1.058 1.894 37 H ARG 6 HN ARG 6 -17.360 0.641 -1.641 38 HA ARG 6 HA ARG 6 -15.883 -1.412 -0.316 39 1HB ARG 6 HB2 ARG 6 -17.924 -1.836 -1.563 40 2HB ARG 6 HB1 ARG 6 -17.200 -1.219 -3.047 41 1HG ARG 6 HG2 ARG 6 -15.567 -3.332 -1.900 42 2HG ARG 6 HG1 ARG 6 -17.218 -3.889 -2.176 43 1HD ARG 6 HD2 ARG 6 -17.038 -3.711 -4.462 44 2HD ARG 6 HD1 ARG 6 -15.991 -2.280 -4.369 45 HE ARG 6 HE ARG 6 -15.013 -5.045 -3.729 46 1HH1 ARG 6 HH11 ARG 6 -14.770 -3.271 -6.382 47 2HH1 ARG 6 HH12 ARG 6 -13.087 -2.876 -6.282 48 1HH2 ARG 6 HH21 ARG 6 -12.764 -3.935 -2.987 49 2HH2 ARG 6 HH22 ARG 6 -11.947 -3.265 -4.359 50 H ASP 7 HN ASP 7 -15.232 0.371 -3.339 51 HA ASP 7 HA ASP 7 -12.784 -1.082 -3.963 52 1HB ASP 7 HB2 ASP 7 -14.458 0.290 -5.448 53 2HB ASP 7 HB1 ASP 7 -13.496 1.679 -4.940 54 H ILE 8 HN ILE 8 -13.590 1.910 -2.220 55 HA ILE 8 HA ILE 8 -10.947 3.008 -2.016 56 HB ILE 8 HB ILE 8 -13.377 3.155 -0.193 57 1HG1 ILE 8 HG12 ILE 8 -13.808 3.959 -2.474 58 2HG1 ILE 8 HG11 ILE 8 -13.750 5.323 -1.359 59 1HG2 ILE 8 HG21 ILE 8 -12.175 5.445 0.337 60 2HG2 ILE 8 HG22 ILE 8 -10.730 4.571 -0.168 61 3HG2 ILE 8 HG23 ILE 8 -11.691 3.977 1.186 62 1HD1 ILE 8 HD11 ILE 8 -12.253 6.224 -2.796 63 2HD1 ILE 8 HD12 ILE 8 -11.993 4.687 -3.619 64 3HD1 ILE 8 HD13 ILE 8 -11.106 5.058 -2.141 65 H TRP 9 HN TRP 9 -12.764 0.803 0.154 66 HA TRP 9 HA TRP 9 -10.806 0.528 2.204 67 1HB TRP 9 HB2 TRP 9 -13.167 -0.266 2.263 68 2HB TRP 9 HB1 TRP 9 -12.767 -1.505 1.074 69 HD1 TRP 9 HD1 TRP 9 -12.548 -3.746 2.233 70 HE1 TRP 9 HE1 TRP 9 -11.508 -4.603 4.430 71 HE3 TRP 9 HE3 TRP 9 -10.968 0.675 4.251 72 HZ2 TRP 9 HZ2 TRP 9 -10.181 -3.555 6.737 73 HZ3 TRP 9 HZ3 TRP 9 -9.822 0.714 6.446 74 HH2 TRP 9 HH2 TRP 9 -9.426 -1.393 7.691 75 H ASP 10 HN ASP 10 -11.189 -1.150 -0.913 76 HA ASP 10 HA ASP 10 -9.010 -3.028 -0.517 77 1HB ASP 10 HB2 ASP 10 -11.112 -2.796 -2.212 78 2HB ASP 10 HB1 ASP 10 -9.837 -2.145 -3.241 79 H TRP 11 HN TRP 11 -9.329 0.164 -2.080 80 HA TRP 11 HA TRP 11 -6.698 0.321 -3.207 81 1HB TRP 11 HB2 TRP 11 -8.479 1.811 -3.881 82 2HB TRP 11 HB1 TRP 11 -8.709 2.371 -2.226 83 HD1 TRP 11 HD1 TRP 11 -6.018 2.427 -4.995 84 HE1 TRP 11 HE1 TRP 11 -4.606 4.564 -4.700 85 HE3 TRP 11 HE3 TRP 11 -8.088 4.267 -0.706 86 HZ2 TRP 11 HZ2 TRP 11 -4.385 6.764 -2.885 87 HZ3 TRP 11 HZ3 TRP 11 -7.259 6.383 0.284 88 HH2 TRP 11 HH2 TRP 11 -5.412 7.633 -0.799 89 H ILE 12 HN ILE 12 -7.984 1.402 -0.039 90 HA ILE 12 HA ILE 12 -5.636 2.609 1.007 91 HB ILE 12 HB ILE 12 -7.926 1.052 2.257 92 1HG1 ILE 12 HG12 ILE 12 -7.386 4.019 2.407 93 2HG1 ILE 12 HG11 ILE 12 -8.210 3.320 1.014 94 1HG2 ILE 12 HG21 ILE 12 -5.712 2.642 3.589 95 2HG2 ILE 12 HG22 ILE 12 -6.117 0.946 3.856 96 3HG2 ILE 12 HG23 ILE 12 -7.221 2.211 4.395 97 1HD1 ILE 12 HD11 ILE 12 -9.098 3.339 3.898 98 2HD1 ILE 12 HD12 ILE 12 -9.763 2.185 2.741 99 3HD1 ILE 12 HD13 ILE 12 -9.970 3.917 2.478 100 H CYS 13 HN CYS 13 -6.617 -0.810 0.878 101 HA CYS 13 HA CYS 13 -4.391 -1.820 2.455 102 1HB CYS 13 HB2 CYS 13 -6.651 -2.900 2.017 103 2HB CYS 13 HB1 CYS 13 -6.094 -3.232 0.376 104 HG CYS 13 HG CYS 13 -4.323 -4.852 1.300 105 H GLU 14 HN GLU 14 -4.991 -1.326 -1.031 106 HA GLU 14 HA GLU 14 -2.677 -2.685 -2.030 107 1HB GLU 14 HB2 GLU 14 -4.817 -0.981 -2.946 108 2HB GLU 14 HB1 GLU 14 -3.299 -0.447 -3.664 109 1HG GLU 14 HG2 GLU 14 -3.916 -2.088 -5.184 110 2HG GLU 14 HG1 GLU 14 -2.951 -3.047 -4.061 111 H VAL 15 HN VAL 15 -3.177 0.634 -0.901 112 HA VAL 15 HA VAL 15 -0.528 1.602 -1.604 113 HB VAL 15 HB VAL 15 -2.641 2.548 0.371 114 1HG1 VAL 15 HG11 VAL 15 -0.320 4.084 -0.838 115 2HG1 VAL 15 HG12 VAL 15 -0.357 3.470 0.815 116 3HG1 VAL 15 HG13 VAL 15 -1.508 4.705 0.308 117 1HG2 VAL 15 HG21 VAL 15 -2.583 4.275 -1.794 118 2HG2 VAL 15 HG22 VAL 15 -3.761 2.986 -1.554 119 3HG2 VAL 15 HG23 VAL 15 -2.334 2.701 -2.548 120 H LEU 16 HN LEU 16 -1.914 -0.080 1.164 121 HA LEU 16 HA LEU 16 0.285 0.476 3.000 122 1HB LEU 16 HB2 LEU 16 -2.334 -0.489 3.094 123 2HB LEU 16 HB1 LEU 16 -1.358 -1.894 3.516 124 HG LEU 16 HG LEU 16 -1.951 -0.608 5.530 125 1HD1 LEU 16 HD11 LEU 16 0.228 -0.518 6.493 126 2HD1 LEU 16 HD12 LEU 16 0.980 -0.150 4.940 127 3HD1 LEU 16 HD13 LEU 16 0.318 -1.758 5.241 128 1HD2 LEU 16 HD21 LEU 16 -0.263 1.661 4.476 129 2HD2 LEU 16 HD22 LEU 16 -1.403 1.670 5.822 130 3HD2 LEU 16 HD23 LEU 16 -1.998 1.601 4.164 131 H SER 17 HN SER 17 -0.647 -2.287 0.919 132 HA SER 17 HA SER 17 1.445 -4.066 1.777 133 1HB SER 17 HB2 SER 17 0.887 -5.156 -0.461 134 2HB SER 17 HB1 SER 17 -0.484 -4.898 0.610 135 HG SER 17 HG SER 17 -1.303 -3.745 -0.933 136 H ASP 18 HN ASP 18 1.247 -1.819 -1.017 137 HA ASP 18 HA ASP 18 3.840 -2.368 -2.095 138 1HB ASP 18 HB2 ASP 18 1.983 -1.153 -3.223 139 2HB ASP 18 HB1 ASP 18 2.208 0.196 -2.109 140 H PHE 19 HN PHE 19 2.774 -0.189 0.499 141 HA PHE 19 HA PHE 19 5.035 1.450 0.855 142 1HB PHE 19 HB2 PHE 19 2.666 0.809 2.186 143 2HB PHE 19 HB1 PHE 19 3.921 0.383 3.346 144 HD1 PHE 19 HD1 PHE 19 5.767 2.123 3.811 145 HD2 PHE 19 HD2 PHE 19 2.059 3.069 1.857 146 HE1 PHE 19 HE1 PHE 19 6.096 4.521 4.347 147 HE2 PHE 19 HE2 PHE 19 2.390 5.467 2.392 148 HZ PHE 19 HZ PHE 19 4.408 6.193 3.637 149 H LYS 20 HN LYS 20 4.505 -1.907 1.905 150 HA LYS 20 HA LYS 20 6.953 -2.174 3.430 151 1HB LYS 20 HB2 LYS 20 4.688 -3.578 3.227 152 2HB LYS 20 HB1 LYS 20 5.626 -4.474 2.033 153 1HG LYS 20 HG2 LYS 20 7.063 -5.333 3.600 154 2HG LYS 20 HG1 LYS 20 6.991 -3.887 4.609 155 1HD LYS 20 HD2 LYS 20 4.423 -4.776 4.828 156 2HD LYS 20 HD1 LYS 20 5.283 -6.305 4.653 157 1HE LYS 20 HE2 LYS 20 5.434 -6.003 6.965 158 2HE LYS 20 HE1 LYS 20 6.919 -5.181 6.448 159 1HZ LYS 20 HZ1 LYS 20 5.531 -3.123 6.221 160 2HZ LYS 20 HZ2 LYS 20 5.740 -3.663 7.818 161 3HZ LYS 20 HZ3 LYS 20 4.274 -3.949 7.008 162 H THR 21 HN THR 21 6.035 -3.184 0.105 163 HA THR 21 HA THR 21 8.622 -4.201 -0.635 164 HB THR 21 HB THR 21 6.464 -2.985 -2.393 165 HG1 THR 21 HG1 THR 21 6.667 -5.691 -1.602 166 1HG2 THR 21 HG21 THR 21 7.933 -3.581 -4.003 167 2HG2 THR 21 HG22 THR 21 7.501 -5.247 -3.616 168 3HG2 THR 21 HG23 THR 21 8.919 -4.508 -2.872 169 H TRP 22 HN TRP 22 7.125 -0.979 -0.925 170 HA TRP 22 HA TRP 22 9.049 0.338 -2.533 171 1HB TRP 22 HB2 TRP 22 6.773 1.071 -1.481 172 2HB TRP 22 HB1 TRP 22 7.746 1.569 -0.102 173 HD1 TRP 22 HD1 TRP 22 6.992 2.448 -3.715 174 HE1 TRP 22 HE1 TRP 22 8.063 4.729 -4.265 175 HE3 TRP 22 HE3 TRP 22 9.752 3.168 0.518 176 HZ2 TRP 22 HZ2 TRP 22 9.855 6.610 -3.064 177 HZ3 TRP 22 HZ3 TRP 22 11.130 5.209 0.791 178 HH2 TRP 22 HH2 TRP 22 11.184 6.930 -0.994 179 H LEU 23 HN LEU 23 8.931 0.049 1.027 180 HA LEU 23 HA LEU 23 11.480 1.314 1.518 181 1HB LEU 23 HB2 LEU 23 9.348 -0.095 2.961 182 2HB LEU 23 HB1 LEU 23 10.944 -0.404 3.644 183 HG LEU 23 HG LEU 23 11.282 2.165 3.471 184 1HD1 LEU 23 HD11 LEU 23 8.465 1.820 2.678 185 2HD1 LEU 23 HD12 LEU 23 9.549 3.187 2.417 186 3HD1 LEU 23 HD13 LEU 23 8.707 3.012 3.955 187 1HD2 LEU 23 HD21 LEU 23 11.032 0.929 5.595 188 2HD2 LEU 23 HD22 LEU 23 9.276 0.991 5.426 189 3HD2 LEU 23 HD23 LEU 23 10.192 2.479 5.669 190 H LYS 24 HN LYS 24 10.485 -2.097 1.115 191 HA LYS 24 HA LYS 24 13.024 -3.292 1.754 192 1HB LYS 24 HB2 LYS 24 10.531 -4.055 0.252 193 2HB LYS 24 HB1 LYS 24 11.929 -5.127 0.200 194 1HG LYS 24 HG2 LYS 24 11.884 -5.507 2.523 195 2HG LYS 24 HG1 LYS 24 10.900 -4.076 2.830 196 1HD LYS 24 HD2 LYS 24 8.942 -5.139 2.304 197 2HD LYS 24 HD1 LYS 24 9.692 -6.121 1.046 198 1HE LYS 24 HE2 LYS 24 10.436 -6.642 3.914 199 2HE LYS 24 HE1 LYS 24 8.898 -7.271 3.292 200 1HZ LYS 24 HZ1 LYS 24 10.719 -8.834 2.893 201 2HZ LYS 24 HZ2 LYS 24 11.559 -7.651 2.010 202 3HZ LYS 24 HZ3 LYS 24 10.079 -8.258 1.431 203 H ALA 25 HN ALA 25 11.616 -2.129 -1.310 204 HA ALA 25 HA ALA 25 13.686 -3.073 -3.061 205 1HB ALA 25 HB1 ALA 25 11.467 -2.333 -3.796 206 2HB ALA 25 HB2 ALA 25 12.702 -1.345 -4.578 207 3HB ALA 25 HB3 ALA 25 11.794 -0.702 -3.209 208 H LYS 26 HN LYS 26 13.472 -0.252 -0.950 209 HA LYS 26 HA LYS 26 15.837 1.039 -2.175 210 1HB LYS 26 HB2 LYS 26 13.607 2.031 -1.103 211 2HB LYS 26 HB1 LYS 26 14.546 1.909 0.387 212 1HG LYS 26 HG2 LYS 26 16.419 3.125 -0.883 213 2HG LYS 26 HG1 LYS 26 15.200 3.493 -2.103 214 1HD LYS 26 HD2 LYS 26 14.663 5.288 -0.839 215 2HD LYS 26 HD1 LYS 26 13.941 4.145 0.293 216 1HE LYS 26 HE2 LYS 26 15.450 5.342 1.663 217 2HE LYS 26 HE1 LYS 26 16.403 3.916 1.211 218 1HZ LYS 26 HZ1 LYS 26 17.287 5.162 -0.680 219 2HZ LYS 26 HZ2 LYS 26 17.657 5.938 0.785 220 3HZ LYS 26 HZ3 LYS 26 16.411 6.536 -0.204 221 H LEU 27 HN LEU 27 15.021 -0.915 0.663 222 HA LEU 27 HA LEU 27 17.633 -0.413 1.950 223 1HB LEU 27 HB2 LEU 27 15.133 -0.942 2.868 224 2HB LEU 27 HB1 LEU 27 15.808 -2.571 2.875 225 HG LEU 27 HG LEU 27 17.858 -1.449 4.048 226 1HD1 LEU 27 HD11 LEU 27 17.374 0.853 3.873 227 2HD1 LEU 27 HD12 LEU 27 16.927 0.466 5.535 228 3HD1 LEU 27 HD13 LEU 27 15.678 0.621 4.299 229 1HD2 LEU 27 HD21 LEU 27 15.163 -1.894 5.366 230 2HD2 LEU 27 HD22 LEU 27 16.657 -1.661 6.273 231 3HD2 LEU 27 HD23 LEU 27 16.481 -3.056 5.207 232 H MET 28 HN MET 28 15.951 -3.137 0.336 233 HA MET 28 HA MET 28 18.454 -4.755 0.478 234 1HB MET 28 HB2 MET 28 15.534 -5.214 0.238 235 2HB MET 28 HB1 MET 28 16.545 -6.330 -0.679 236 1HG MET 28 HG2 MET 28 17.699 -7.058 1.266 237 2HG MET 28 HG1 MET 28 17.103 -5.700 2.222 238 1HE MET 28 HE1 MET 28 15.750 -6.594 4.187 239 2HE MET 28 HE2 MET 28 14.039 -6.754 3.799 240 3HE MET 28 HE3 MET 28 14.954 -5.384 3.172 241 HA PRO 29 HA PRO 29 18.973 -3.398 -3.792 242 1HB PRO 29 HB2 PRO 29 21.587 -4.171 -3.995 243 2HB PRO 29 HB1 PRO 29 21.084 -2.660 -3.217 244 1HG PRO 29 HG2 PRO 29 21.959 -5.213 -2.003 245 2HG PRO 29 HG1 PRO 29 22.175 -3.554 -1.428 246 1HD PRO 29 HD2 PRO 29 20.293 -5.356 -0.471 247 2HD PRO 29 HD1 PRO 29 20.235 -3.594 -0.258 248 H GLN 30 HN GLN 30 20.351 -4.742 -5.653 249 HA GLN 30 HA GLN 30 18.980 -7.367 -5.819 250 1HB GLN 30 HB2 GLN 30 20.431 -5.484 -7.671 251 2HB GLN 30 HB1 GLN 30 20.131 -7.147 -8.178 252 1HG GLN 30 HG2 GLN 30 17.855 -5.584 -7.016 253 2HG GLN 30 HG1 GLN 30 18.352 -5.239 -8.673 254 1HE2 GLN 30 HE21 GLN 30 17.769 -6.757 -10.298 255 2HE2 GLN 30 HE22 GLN 30 16.958 -8.212 -9.971 256 H LEU 31 HN LEU 31 20.586 -8.983 -7.209 257 HA LEU 31 HA LEU 31 22.726 -9.683 -5.321 258 1HB LEU 31 HB2 LEU 31 21.394 -10.860 -7.741 259 2HB LEU 31 HB1 LEU 31 22.949 -11.517 -7.232 260 HG LEU 31 HG LEU 31 21.259 -11.167 -4.924 261 1HD1 LEU 31 HD11 LEU 31 20.050 -12.530 -7.323 262 2HD1 LEU 31 HD12 LEU 31 19.291 -11.420 -6.183 263 3HD1 LEU 31 HD13 LEU 31 19.657 -13.073 -5.692 264 1HD2 LEU 31 HD21 LEU 31 22.146 -13.739 -6.256 265 2HD2 LEU 31 HD22 LEU 31 21.846 -13.459 -4.541 266 3HD2 LEU 31 HD23 LEU 31 23.245 -12.722 -5.323 Start of MODEL 50 1 1H SER 1 HT1 SER 1 -23.749 8.171 -9.490 2 2H SER 1 HT2 SER 1 -22.633 7.182 -10.305 3 3H SER 1 HT3 SER 1 -22.253 8.804 -9.976 4 HA SER 1 HA SER 1 -21.073 7.438 -8.406 5 1HB SER 1 HB2 SER 1 -22.236 8.397 -6.337 6 2HB SER 1 HB1 SER 1 -21.851 9.559 -7.602 7 HG SER 1 HG SER 1 -24.042 9.658 -6.739 8 H GLY 2 HN GLY 2 -21.282 5.914 -6.538 9 1HA GLY 2 HA2 GLY 2 -23.732 4.428 -6.108 10 2HA GLY 2 HA1 GLY 2 -22.601 3.521 -7.113 11 H SER 3 HN SER 3 -21.977 1.942 -5.630 12 HA SER 3 HA SER 3 -21.224 2.640 -2.877 13 1HB SER 3 HB2 SER 3 -20.699 0.173 -2.829 14 2HB SER 3 HB1 SER 3 -22.335 0.535 -3.372 15 HG SER 3 HG SER 3 -20.061 -0.075 -4.968 16 H TRP 4 HN TRP 4 -19.384 4.022 -3.051 17 HA TRP 4 HA TRP 4 -16.982 2.891 -4.434 18 1HB TRP 4 HB2 TRP 4 -18.229 5.368 -4.529 19 2HB TRP 4 HB1 TRP 4 -16.871 5.650 -3.440 20 HD1 TRP 4 HD1 TRP 4 -17.391 3.810 -6.819 21 HE1 TRP 4 HE1 TRP 4 -15.363 4.331 -8.326 22 HE3 TRP 4 HE3 TRP 4 -14.673 6.758 -3.656 23 HZ2 TRP 4 HZ2 TRP 4 -12.915 5.801 -8.204 24 HZ3 TRP 4 HZ3 TRP 4 -12.499 7.703 -4.376 25 HH2 TRP 4 HH2 TRP 4 -11.617 7.229 -6.644 26 H LEU 5 HN LEU 5 -18.266 2.871 -1.379 27 HA LEU 5 HA LEU 5 -16.092 3.762 0.287 28 1HB LEU 5 HB2 LEU 5 -18.503 3.308 0.926 29 2HB LEU 5 HB1 LEU 5 -18.146 1.585 0.815 30 HG LEU 5 HG LEU 5 -16.134 2.929 2.412 31 1HD1 LEU 5 HD11 LEU 5 -17.975 4.520 2.882 32 2HD1 LEU 5 HD12 LEU 5 -17.570 3.563 4.306 33 3HD1 LEU 5 HD13 LEU 5 -19.007 3.172 3.362 34 1HD2 LEU 5 HD21 LEU 5 -16.710 0.484 2.366 35 2HD2 LEU 5 HD22 LEU 5 -18.236 0.871 3.162 36 3HD2 LEU 5 HD23 LEU 5 -16.708 1.168 3.992 37 H ARG 6 HN ARG 6 -17.019 0.472 -0.839 38 HA ARG 6 HA ARG 6 -14.740 -0.885 0.265 39 1HB ARG 6 HB2 ARG 6 -16.995 -1.763 -0.675 40 2HB ARG 6 HB1 ARG 6 -16.223 -1.660 -2.257 41 1HG ARG 6 HG2 ARG 6 -14.806 -3.071 -0.011 42 2HG ARG 6 HG1 ARG 6 -16.089 -3.905 -0.888 43 1HD ARG 6 HD2 ARG 6 -14.783 -3.073 -3.029 44 2HD ARG 6 HD1 ARG 6 -13.420 -2.955 -1.901 45 HE ARG 6 HE ARG 6 -14.741 -5.442 -2.739 46 1HH1 ARG 6 HH21 ARG 6 -11.753 -4.893 -2.231 47 2HH1 ARG 6 HH22 ARG 6 -11.488 -5.851 -0.812 48 1HH2 ARG 6 HH11 ARG 6 -14.872 -6.221 -0.109 49 2HH2 ARG 6 HH12 ARG 6 -13.260 -6.605 0.393 50 H ASP 7 HN ASP 7 -15.306 0.766 -2.835 51 HA ASP 7 HA ASP 7 -13.014 -0.072 -4.286 52 1HB ASP 7 HB2 ASP 7 -14.683 1.162 -5.423 53 2HB ASP 7 HB1 ASP 7 -14.730 2.412 -4.181 54 H ILE 8 HN ILE 8 -13.406 2.792 -2.160 55 HA ILE 8 HA ILE 8 -10.695 3.703 -2.312 56 HB ILE 8 HB ILE 8 -12.944 4.000 -0.297 57 1HG1 ILE 8 HG12 ILE 8 -11.749 6.060 -2.166 58 2HG1 ILE 8 HG11 ILE 8 -13.047 4.982 -2.675 59 1HG2 ILE 8 HG21 ILE 8 -10.984 4.403 1.004 60 2HG2 ILE 8 HG22 ILE 8 -11.547 5.998 0.507 61 3HG2 ILE 8 HG23 ILE 8 -10.185 5.245 -0.323 62 1HD1 ILE 8 HD11 ILE 8 -13.293 7.407 -1.228 63 2HD1 ILE 8 HD12 ILE 8 -13.704 6.109 -0.107 64 3HD1 ILE 8 HD13 ILE 8 -14.573 6.264 -1.634 65 H TRP 9 HN TRP 9 -12.336 1.781 0.245 66 HA TRP 9 HA TRP 9 -10.078 1.306 1.894 67 1HB TRP 9 HB2 TRP 9 -12.564 0.864 2.292 68 2HB TRP 9 HB1 TRP 9 -12.355 -0.619 1.360 69 HD1 TRP 9 HD1 TRP 9 -12.205 -2.553 3.001 70 HE1 TRP 9 HE1 TRP 9 -10.928 -3.021 5.191 71 HE3 TRP 9 HE3 TRP 9 -9.993 1.995 3.726 72 HZ2 TRP 9 HZ2 TRP 9 -9.199 -1.649 7.008 73 HZ3 TRP 9 HZ3 TRP 9 -8.539 2.385 5.693 74 HH2 TRP 9 HH2 TRP 9 -8.140 0.571 7.334 75 H ASP 10 HN ASP 10 -11.267 -0.528 -0.930 76 HA ASP 10 HA ASP 10 -9.479 -2.749 -0.785 77 1HB ASP 10 HB2 ASP 10 -11.496 -2.534 -2.225 78 2HB ASP 10 HB1 ASP 10 -10.662 -1.318 -3.191 79 H TRP 11 HN TRP 11 -9.143 0.391 -2.478 80 HA TRP 11 HA TRP 11 -6.545 -0.087 -3.601 81 1HB TRP 11 HB2 TRP 11 -8.127 1.688 -4.293 82 2HB TRP 11 HB1 TRP 11 -7.943 2.468 -2.724 83 HD1 TRP 11 HD1 TRP 11 -6.174 1.925 -6.037 84 HE1 TRP 11 HE1 TRP 11 -4.114 3.472 -6.155 85 HE3 TRP 11 HE3 TRP 11 -6.118 3.690 -1.245 86 HZ2 TRP 11 HZ2 TRP 11 -2.638 5.226 -4.443 87 HZ3 TRP 11 HZ3 TRP 11 -4.376 5.295 -0.516 88 HH2 TRP 11 HH2 TRP 11 -2.638 6.065 -2.108 89 H ILE 12 HN ILE 12 -7.580 1.347 -0.496 90 HA ILE 12 HA ILE 12 -5.001 2.142 0.457 91 HB ILE 12 HB ILE 12 -7.581 1.267 1.800 92 1HG1 ILE 12 HG12 ILE 12 -6.403 4.038 1.743 93 2HG1 ILE 12 HG11 ILE 12 -7.291 3.431 0.345 94 1HG2 ILE 12 HG21 ILE 12 -6.049 0.923 3.541 95 2HG2 ILE 12 HG22 ILE 12 -6.494 2.614 3.772 96 3HG2 ILE 12 HG23 ILE 12 -4.973 2.203 2.979 97 1HD1 ILE 12 HD11 ILE 12 -8.722 4.692 1.987 98 2HD1 ILE 12 HD12 ILE 12 -8.387 3.426 3.170 99 3HD1 ILE 12 HD13 ILE 12 -9.265 3.041 1.689 100 H CYS 13 HN CYS 13 -6.727 -0.968 0.580 101 HA CYS 13 HA CYS 13 -4.870 -2.332 2.325 102 1HB CYS 13 HB2 CYS 13 -7.280 -2.919 1.674 103 2HB CYS 13 HB1 CYS 13 -6.620 -3.522 0.155 104 HG CYS 13 HG CYS 13 -5.133 -5.197 1.636 105 H GLU 14 HN GLU 14 -5.111 -1.981 -1.223 106 HA GLU 14 HA GLU 14 -2.999 -3.807 -1.905 107 1HB GLU 14 HB2 GLU 14 -4.758 -1.844 -3.135 108 2HB GLU 14 HB1 GLU 14 -3.143 -1.769 -3.838 109 1HG GLU 14 HG2 GLU 14 -3.976 -3.463 -5.145 110 2HG GLU 14 HG1 GLU 14 -3.454 -4.446 -3.777 111 H VAL 15 HN VAL 15 -3.035 -0.382 -1.051 112 HA VAL 15 HA VAL 15 -0.228 0.089 -1.709 113 HB VAL 15 HB VAL 15 -2.304 1.610 -0.093 114 1HG1 VAL 15 HG11 VAL 15 0.525 2.265 -0.891 115 2HG1 VAL 15 HG12 VAL 15 -0.280 2.527 0.657 116 3HG1 VAL 15 HG13 VAL 15 -0.668 3.553 -0.724 117 1HG2 VAL 15 HG21 VAL 15 -3.139 2.074 -2.140 118 2HG2 VAL 15 HG22 VAL 15 -1.796 1.251 -2.933 119 3HG2 VAL 15 HG23 VAL 15 -1.646 2.948 -2.479 120 H LEU 16 HN LEU 16 -2.034 -0.901 1.172 121 HA LEU 16 HA LEU 16 -0.140 -0.341 3.208 122 1HB LEU 16 HB2 LEU 16 -2.501 -1.140 3.467 123 2HB LEU 16 HB1 LEU 16 -1.986 -2.738 2.927 124 HG LEU 16 HG LEU 16 -0.232 -1.814 5.026 125 1HD1 LEU 16 HD11 LEU 16 -3.191 -1.878 5.696 126 2HD1 LEU 16 HD12 LEU 16 -2.158 -0.450 5.738 127 3HD1 LEU 16 HD13 LEU 16 -1.879 -1.775 6.869 128 1HD2 LEU 16 HD21 LEU 16 -0.672 -4.171 4.285 129 2HD2 LEU 16 HD22 LEU 16 -2.285 -4.050 4.990 130 3HD2 LEU 16 HD23 LEU 16 -0.861 -3.946 6.024 131 H SER 17 HN SER 17 -0.564 -3.448 1.439 132 HA SER 17 HA SER 17 1.826 -4.673 2.468 133 1HB SER 17 HB2 SER 17 0.005 -5.095 0.099 134 2HB SER 17 HB1 SER 17 1.438 -6.097 0.317 135 HG SER 17 HG SER 17 0.145 -7.192 1.578 136 H ASP 18 HN ASP 18 1.168 -2.689 -0.412 137 HA ASP 18 HA ASP 18 3.717 -3.023 -1.698 138 1HB ASP 18 HB2 ASP 18 1.629 -2.118 -2.724 139 2HB ASP 18 HB1 ASP 18 1.782 -0.680 -1.714 140 H PHE 19 HN PHE 19 2.533 -0.715 0.758 141 HA PHE 19 HA PHE 19 4.654 1.133 0.837 142 1HB PHE 19 HB2 PHE 19 2.415 0.422 2.365 143 2HB PHE 19 HB1 PHE 19 3.765 0.265 3.484 144 HD1 PHE 19 HD1 PHE 19 5.547 2.244 3.358 145 HD2 PHE 19 HD2 PHE 19 1.452 2.532 2.090 146 HE1 PHE 19 HE1 PHE 19 5.647 4.711 3.591 147 HE2 PHE 19 HE2 PHE 19 1.554 4.998 2.324 148 HZ PHE 19 HZ PHE 19 3.651 6.088 3.074 149 H LYS 20 HN LYS 20 4.446 -2.090 2.350 150 HA LYS 20 HA LYS 20 6.934 -2.037 3.764 151 1HB LYS 20 HB2 LYS 20 4.971 -3.660 3.925 152 2HB LYS 20 HB1 LYS 20 5.590 -4.421 2.458 153 1HG LYS 20 HG2 LYS 20 7.854 -4.510 3.777 154 2HG LYS 20 HG1 LYS 20 6.826 -4.316 5.196 155 1HD LYS 20 HD2 LYS 20 5.555 -6.300 4.624 156 2HD LYS 20 HD1 LYS 20 6.405 -6.451 3.086 157 1HE LYS 20 HE2 LYS 20 7.624 -7.962 4.383 158 2HE LYS 20 HE1 LYS 20 8.552 -6.480 4.687 159 1HZ LYS 20 HZ1 LYS 20 7.934 -7.533 6.774 160 2HZ LYS 20 HZ2 LYS 20 6.292 -7.491 6.340 161 3HZ LYS 20 HZ3 LYS 20 7.139 -6.043 6.614 162 H THR 21 HN THR 21 6.143 -3.312 0.489 163 HA THR 21 HA THR 21 8.908 -3.971 -0.135 164 HB THR 21 HB THR 21 7.836 -4.087 -2.499 165 HG1 THR 21 HG1 THR 21 6.069 -2.846 -2.313 166 1HG2 THR 21 HG21 THR 21 6.836 -5.687 -0.137 167 2HG2 THR 21 HG22 THR 21 8.155 -6.095 -1.233 168 3HG2 THR 21 HG23 THR 21 6.490 -6.122 -1.811 169 H TRP 22 HN TRP 22 6.842 -1.134 -0.640 170 HA TRP 22 HA TRP 22 8.379 0.298 -2.554 171 1HB TRP 22 HB2 TRP 22 6.086 0.767 -1.433 172 2HB TRP 22 HB1 TRP 22 7.017 1.524 -0.147 173 HD1 TRP 22 HD1 TRP 22 5.833 2.051 -3.684 174 HE1 TRP 22 HE1 TRP 22 6.545 4.397 -4.487 175 HE3 TRP 22 HE3 TRP 22 8.959 3.381 0.130 176 HZ2 TRP 22 HZ2 TRP 22 8.216 6.551 -3.624 177 HZ3 TRP 22 HZ3 TRP 22 10.096 5.582 0.115 178 HH2 TRP 22 HH2 TRP 22 9.728 7.169 -1.755 179 H LEU 23 HN LEU 23 8.555 0.384 1.016 180 HA LEU 23 HA LEU 23 10.830 2.129 1.210 181 1HB LEU 23 HB2 LEU 23 9.218 0.335 2.911 182 2HB LEU 23 HB1 LEU 23 10.884 0.518 3.454 183 HG LEU 23 HG LEU 23 10.408 3.086 2.994 184 1HD1 LEU 23 HD11 LEU 23 8.128 2.595 2.069 185 2HD1 LEU 23 HD12 LEU 23 8.101 3.706 3.438 186 3HD1 LEU 23 HD13 LEU 23 7.651 2.017 3.666 187 1HD2 LEU 23 HD21 LEU 23 9.799 3.324 5.352 188 2HD2 LEU 23 HD22 LEU 23 10.977 2.022 5.182 189 3HD2 LEU 23 HD23 LEU 23 9.269 1.642 5.411 190 H LYS 24 HN LYS 24 10.542 -1.430 1.059 191 HA LYS 24 HA LYS 24 13.324 -2.046 1.455 192 1HB LYS 24 HB2 LYS 24 11.329 -3.584 1.611 193 2HB LYS 24 HB1 LYS 24 11.217 -3.534 -0.149 194 1HG LYS 24 HG2 LYS 24 13.932 -4.127 0.698 195 2HG LYS 24 HG1 LYS 24 12.791 -5.288 1.379 196 1HD LYS 24 HD2 LYS 24 11.838 -5.649 -0.890 197 2HD LYS 24 HD1 LYS 24 13.044 -4.544 -1.551 198 1HE LYS 24 HE2 LYS 24 14.829 -6.059 -0.532 199 2HE LYS 24 HE1 LYS 24 13.530 -7.230 -0.226 200 1HZ LYS 24 HZ1 LYS 24 14.324 -6.067 -2.843 201 2HZ LYS 24 HZ2 LYS 24 12.897 -6.961 -2.611 202 3HZ LYS 24 HZ3 LYS 24 14.412 -7.695 -2.377 203 H ALA 25 HN ALA 25 11.383 -1.397 -1.468 204 HA ALA 25 HA ALA 25 13.494 -1.925 -3.377 205 1HB ALA 25 HB1 ALA 25 11.871 -0.473 -4.803 206 2HB ALA 25 HB2 ALA 25 10.855 -0.454 -3.361 207 3HB ALA 25 HB3 ALA 25 11.252 -1.985 -4.142 208 H LYS 26 HN LYS 26 12.664 0.844 -1.380 209 HA LYS 26 HA LYS 26 14.035 2.880 -2.900 210 1HB LYS 26 HB2 LYS 26 12.258 3.086 -1.068 211 2HB LYS 26 HB1 LYS 26 13.553 2.775 0.089 212 1HG LYS 26 HG2 LYS 26 13.480 5.128 -0.035 213 2HG LYS 26 HG1 LYS 26 14.806 4.696 -1.114 214 1HD LYS 26 HD2 LYS 26 13.621 5.232 -3.019 215 2HD LYS 26 HD1 LYS 26 12.064 4.839 -2.287 216 1HE LYS 26 HE2 LYS 26 12.105 6.894 -0.971 217 2HE LYS 26 HE1 LYS 26 13.736 7.272 -1.559 218 1HZ LYS 26 HZ1 LYS 26 12.954 7.440 -3.771 219 2HZ LYS 26 HZ2 LYS 26 11.870 8.347 -2.830 220 3HZ LYS 26 HZ3 LYS 26 11.434 6.798 -3.374 221 H LEU 27 HN LEU 27 15.012 0.887 -0.075 222 HA LEU 27 HA LEU 27 17.815 1.871 -0.394 223 1HB LEU 27 HB2 LEU 27 16.516 1.908 1.802 224 2HB LEU 27 HB1 LEU 27 16.618 0.147 1.792 225 HG LEU 27 HG LEU 27 19.186 0.579 1.419 226 1HD1 LEU 27 HD11 LEU 27 19.258 2.923 1.123 227 2HD1 LEU 27 HD12 LEU 27 19.793 2.691 2.787 228 3HD1 LEU 27 HD13 LEU 27 18.142 3.214 2.456 229 1HD2 LEU 27 HD21 LEU 27 18.308 -0.514 3.407 230 2HD2 LEU 27 HD22 LEU 27 17.750 1.028 4.055 231 3HD2 LEU 27 HD23 LEU 27 19.477 0.705 3.914 232 H MET 28 HN MET 28 19.152 0.591 -1.582 233 HA MET 28 HA MET 28 18.909 -2.378 -1.349 234 1HB MET 28 HB2 MET 28 17.979 -0.828 -3.501 235 2HB MET 28 HB1 MET 28 19.513 -1.494 -4.062 236 1HG MET 28 HG2 MET 28 17.678 -3.355 -2.630 237 2HG MET 28 HG1 MET 28 17.208 -2.859 -4.254 238 1HE MET 28 HE1 MET 28 17.186 -4.840 -5.289 239 2HE MET 28 HE2 MET 28 17.740 -5.990 -4.074 240 3HE MET 28 HE3 MET 28 18.513 -5.950 -5.657 241 HA PRO 29 HA PRO 29 23.275 -0.903 -1.068 242 1HB PRO 29 HB2 PRO 29 23.951 -2.466 1.071 243 2HB PRO 29 HB1 PRO 29 23.211 -0.865 1.237 244 1HG PRO 29 HG2 PRO 29 21.982 -3.554 1.491 245 2HG PRO 29 HG1 PRO 29 21.636 -2.065 2.382 246 1HD PRO 29 HD2 PRO 29 20.089 -3.049 0.330 247 2HD PRO 29 HD1 PRO 29 20.129 -1.346 0.836 248 H GLN 30 HN GLN 30 25.293 -2.539 -0.748 249 HA GLN 30 HA GLN 30 24.703 -5.045 -2.292 250 1HB GLN 30 HB2 GLN 30 25.738 -3.032 -3.525 251 2HB GLN 30 HB1 GLN 30 27.183 -3.327 -2.558 252 1HG GLN 30 HG2 GLN 30 27.661 -5.322 -3.621 253 2HG GLN 30 HG1 GLN 30 25.967 -5.659 -3.978 254 1HE2 GLN 30 HE21 GLN 30 25.089 -4.842 -5.968 255 2HE2 GLN 30 HE22 GLN 30 26.034 -4.033 -7.122 256 H LEU 31 HN LEU 31 24.732 -6.144 -0.175 257 HA LEU 31 HA LEU 31 27.517 -6.677 0.775 258 1HB LEU 31 HB2 LEU 31 25.196 -5.501 2.208 259 2HB LEU 31 HB1 LEU 31 26.080 -6.745 3.092 260 HG LEU 31 HG LEU 31 27.655 -4.618 1.694 261 1HD1 LEU 31 HD11 LEU 31 26.238 -4.248 4.353 262 2HD1 LEU 31 HD12 LEU 31 25.901 -3.354 2.870 263 3HD1 LEU 31 HD13 LEU 31 27.454 -3.157 3.685 264 1HD2 LEU 31 HD21 LEU 31 28.707 -6.563 2.869 265 2HD2 LEU 31 HD22 LEU 31 27.966 -6.013 4.373 266 3HD2 LEU 31 HD23 LEU 31 29.173 -5.011 3.567 Start of MODEL 51 1 1H SER 1 HT1 SER 1 -20.016 5.959 9.447 2 2H SER 1 HT2 SER 1 -18.564 5.337 10.074 3 3H SER 1 HT3 SER 1 -19.485 4.416 8.984 4 HA SER 1 HA SER 1 -18.091 6.975 8.353 5 1HB SER 1 HB2 SER 1 -17.549 4.129 7.451 6 2HB SER 1 HB1 SER 1 -16.533 5.542 7.182 7 HG SER 1 HG SER 1 -15.727 4.408 8.929 8 H GLY 2 HN GLY 2 -19.499 4.049 6.801 9 1HA GLY 2 HA2 GLY 2 -21.639 4.796 5.430 10 2HA GLY 2 HA1 GLY 2 -20.444 5.762 4.563 11 H SER 3 HN SER 3 -21.115 4.420 2.669 12 HA SER 3 HA SER 3 -20.024 1.633 2.717 13 1HB SER 3 HB2 SER 3 -21.441 1.375 0.704 14 2HB SER 3 HB1 SER 3 -22.379 1.995 2.060 15 HG SER 3 HG SER 3 -22.347 3.055 -0.227 16 H TRP 4 HN TRP 4 -18.491 4.328 2.324 17 HA TRP 4 HA TRP 4 -17.396 3.845 -0.413 18 1HB TRP 4 HB2 TRP 4 -18.217 6.119 0.831 19 2HB TRP 4 HB1 TRP 4 -16.506 6.139 1.257 20 HD1 TRP 4 HD1 TRP 4 -18.008 4.848 -2.047 21 HE1 TRP 4 HE1 TRP 4 -17.007 6.218 -3.985 22 HE3 TRP 4 HE3 TRP 4 -15.313 8.284 0.601 23 HZ2 TRP 4 HZ2 TRP 4 -15.292 8.478 -4.365 24 HZ3 TRP 4 HZ3 TRP 4 -14.007 10.032 -0.572 25 HH2 TRP 4 HH2 TRP 4 -13.993 10.133 -3.049 26 H LEU 5 HN LEU 5 -16.483 3.874 3.023 27 HA LEU 5 HA LEU 5 -13.657 3.766 2.792 28 1HB LEU 5 HB2 LEU 5 -15.604 3.574 4.779 29 2HB LEU 5 HB1 LEU 5 -14.799 2.008 4.844 30 HG LEU 5 HG LEU 5 -13.617 3.494 6.333 31 1HD1 LEU 5 HD11 LEU 5 -12.002 3.384 3.770 32 2HD1 LEU 5 HD12 LEU 5 -12.268 1.985 4.811 33 3HD1 LEU 5 HD13 LEU 5 -11.389 3.384 5.425 34 1HD2 LEU 5 HD21 LEU 5 -14.373 5.636 5.460 35 2HD2 LEU 5 HD22 LEU 5 -13.502 5.370 3.950 36 3HD2 LEU 5 HD23 LEU 5 -12.610 5.617 5.452 37 H ARG 6 HN ARG 6 -16.085 1.173 2.484 38 HA ARG 6 HA ARG 6 -14.398 -1.103 2.430 39 1HB ARG 6 HB2 ARG 6 -16.737 -1.441 2.465 40 2HB ARG 6 HB1 ARG 6 -17.012 -0.309 1.143 41 1HG ARG 6 HG2 ARG 6 -15.335 -2.699 0.533 42 2HG ARG 6 HG1 ARG 6 -17.059 -2.977 0.784 43 1HD ARG 6 HD2 ARG 6 -17.447 -1.032 -0.870 44 2HD ARG 6 HD1 ARG 6 -15.738 -1.221 -1.299 45 HE ARG 6 HE ARG 6 -16.724 -3.812 -1.379 46 1HH1 ARG 6 HH21 ARG 6 -19.356 -2.618 -2.125 47 2HH1 ARG 6 HH22 ARG 6 -19.240 -2.499 -3.847 48 1HH2 ARG 6 HH11 ARG 6 -15.785 -2.875 -3.901 49 2HH2 ARG 6 HH12 ARG 6 -17.211 -2.652 -4.859 50 H ASP 7 HN ASP 7 -15.285 1.148 -0.196 51 HA ASP 7 HA ASP 7 -13.722 -0.268 -2.222 52 1HB ASP 7 HB2 ASP 7 -15.610 1.944 -1.968 53 2HB ASP 7 HB1 ASP 7 -14.297 2.341 -3.071 54 H ILE 8 HN ILE 8 -13.300 2.639 -0.200 55 HA ILE 8 HA ILE 8 -10.842 3.558 -1.392 56 HB ILE 8 HB ILE 8 -12.107 3.886 1.351 57 1HG1 ILE 8 HG12 ILE 8 -11.919 5.957 -0.831 58 2HG1 ILE 8 HG11 ILE 8 -13.201 4.745 -0.865 59 1HG2 ILE 8 HG21 ILE 8 -9.833 4.438 1.712 60 2HG2 ILE 8 HG22 ILE 8 -10.601 5.987 1.366 61 3HG2 ILE 8 HG23 ILE 8 -9.667 5.167 0.115 62 1HD1 ILE 8 HD11 ILE 8 -12.962 7.114 0.802 63 2HD1 ILE 8 HD12 ILE 8 -13.165 5.663 1.782 64 3HD1 ILE 8 HD13 ILE 8 -14.357 6.066 0.547 65 H TRP 9 HN TRP 9 -11.453 1.624 1.574 66 HA TRP 9 HA TRP 9 -8.727 1.147 2.272 67 1HB TRP 9 HB2 TRP 9 -10.693 0.765 3.725 68 2HB TRP 9 HB1 TRP 9 -11.224 -0.542 2.670 69 HD1 TRP 9 HD1 TRP 9 -10.769 -2.727 3.882 70 HE1 TRP 9 HE1 TRP 9 -8.781 -3.750 5.164 71 HE3 TRP 9 HE3 TRP 9 -7.563 1.252 3.865 72 HZ2 TRP 9 HZ2 TRP 9 -6.175 -2.985 6.061 73 HZ3 TRP 9 HZ3 TRP 9 -5.338 1.075 4.938 74 HH2 TRP 9 HH2 TRP 9 -4.640 -1.035 6.036 75 H ASP 10 HN ASP 10 -10.916 -0.517 0.022 76 HA ASP 10 HA ASP 10 -9.359 -2.853 -0.500 77 1HB ASP 10 HB2 ASP 10 -11.726 -2.403 -1.165 78 2HB ASP 10 HB1 ASP 10 -11.145 -1.231 -2.347 79 H TRP 11 HN TRP 11 -9.414 0.320 -2.176 80 HA TRP 11 HA TRP 11 -7.277 -0.311 -4.018 81 1HB TRP 11 HB2 TRP 11 -8.933 1.455 -4.414 82 2HB TRP 11 HB1 TRP 11 -8.410 2.306 -2.959 83 HD1 TRP 11 HD1 TRP 11 -7.027 1.202 -6.389 84 HE1 TRP 11 HE1 TRP 11 -5.171 2.848 -7.079 85 HE3 TRP 11 HE3 TRP 11 -6.828 4.110 -2.198 86 HZ2 TRP 11 HZ2 TRP 11 -3.784 5.108 -5.998 87 HZ3 TRP 11 HZ3 TRP 11 -5.231 6.000 -2.054 88 HH2 TRP 11 HH2 TRP 11 -3.710 6.501 -3.946 89 H ILE 12 HN ILE 12 -7.395 1.314 -0.836 90 HA ILE 12 HA ILE 12 -4.649 2.106 -0.689 91 HB ILE 12 HB ILE 12 -6.793 1.384 1.328 92 1HG1 ILE 12 HG12 ILE 12 -5.430 4.025 0.720 93 2HG1 ILE 12 HG11 ILE 12 -6.914 3.496 -0.073 94 1HG2 ILE 12 HG21 ILE 12 -5.193 2.530 2.995 95 2HG2 ILE 12 HG22 ILE 12 -3.924 2.211 1.812 96 3HG2 ILE 12 HG23 ILE 12 -4.811 0.870 2.538 97 1HD1 ILE 12 HD11 ILE 12 -6.517 3.945 2.901 98 2HD1 ILE 12 HD12 ILE 12 -7.978 3.266 2.183 99 3HD1 ILE 12 HD13 ILE 12 -7.501 4.922 1.810 100 H CYS 13 HN CYS 13 -6.292 -0.965 0.043 101 HA CYS 13 HA CYS 13 -4.053 -2.316 1.251 102 1HB CYS 13 HB2 CYS 13 -6.516 -2.943 1.278 103 2HB CYS 13 HB1 CYS 13 -6.326 -3.481 -0.390 104 HG CYS 13 HG CYS 13 -4.757 -4.774 1.992 105 H GLU 14 HN GLU 14 -5.165 -1.943 -2.116 106 HA GLU 14 HA GLU 14 -3.331 -3.762 -3.360 107 1HB GLU 14 HB2 GLU 14 -5.434 -2.251 -4.132 108 2HB GLU 14 HB1 GLU 14 -4.125 -1.224 -4.709 109 1HG GLU 14 HG2 GLU 14 -3.643 -4.025 -5.353 110 2HG GLU 14 HG1 GLU 14 -5.169 -3.455 -6.027 111 H VAL 15 HN VAL 15 -3.154 -0.260 -2.777 112 HA VAL 15 HA VAL 15 -0.450 0.066 -3.782 113 HB VAL 15 HB VAL 15 -2.126 1.734 -1.867 114 1HG1 VAL 15 HG11 VAL 15 0.527 2.110 -3.146 115 2HG1 VAL 15 HG12 VAL 15 -0.116 2.805 -1.657 116 3HG1 VAL 15 HG13 VAL 15 -0.563 3.496 -3.217 117 1HG2 VAL 15 HG21 VAL 15 -2.230 1.258 -4.765 118 2HG2 VAL 15 HG22 VAL 15 -2.108 2.967 -4.348 119 3HG2 VAL 15 HG23 VAL 15 -3.432 1.996 -3.706 120 H LEU 16 HN LEU 16 -1.866 -0.607 -0.595 121 HA LEU 16 HA LEU 16 0.375 -0.155 1.082 122 1HB LEU 16 HB2 LEU 16 -1.898 -0.599 1.872 123 2HB LEU 16 HB1 LEU 16 -1.850 -2.221 1.183 124 HG LEU 16 HG LEU 16 0.118 -2.709 2.697 125 1HD1 LEU 16 HD11 LEU 16 0.365 -1.191 4.666 126 2HD1 LEU 16 HD12 LEU 16 -0.738 -0.054 3.892 127 3HD1 LEU 16 HD13 LEU 16 0.822 -0.414 3.151 128 1HD2 LEU 16 HD21 LEU 16 -2.024 -3.564 3.346 129 2HD2 LEU 16 HD22 LEU 16 -2.584 -1.968 3.846 130 3HD2 LEU 16 HD23 LEU 16 -1.349 -2.804 4.788 131 H SER 17 HN SER 17 -0.473 -3.014 -0.891 132 HA SER 17 HA SER 17 1.518 -4.816 0.068 133 1HB SER 17 HB2 SER 17 -0.270 -4.486 -2.230 134 2HB SER 17 HB1 SER 17 1.236 -5.280 -2.675 135 HG SER 17 HG SER 17 -0.722 -6.048 -0.797 136 H ASP 18 HN ASP 18 1.667 -2.373 -2.543 137 HA ASP 18 HA ASP 18 4.476 -2.900 -3.148 138 1HB ASP 18 HB2 ASP 18 3.006 -2.027 -4.860 139 2HB ASP 18 HB1 ASP 18 2.506 -0.691 -3.823 140 H PHE 19 HN PHE 19 2.675 -0.394 -1.334 141 HA PHE 19 HA PHE 19 4.811 1.311 -0.614 142 1HB PHE 19 HB2 PHE 19 2.086 0.820 0.083 143 2HB PHE 19 HB1 PHE 19 2.993 0.940 1.587 144 HD1 PHE 19 HD1 PHE 19 3.733 3.038 2.396 145 HD2 PHE 19 HD2 PHE 19 2.385 2.668 -1.666 146 HE1 PHE 19 HE1 PHE 19 3.831 5.502 2.139 147 HE2 PHE 19 HE2 PHE 19 2.483 5.132 -1.923 148 HZ PHE 19 HZ PHE 19 3.207 6.550 -0.021 149 H LYS 20 HN LYS 20 3.676 -1.688 0.967 150 HA LYS 20 HA LYS 20 5.450 -1.676 3.203 151 1HB LYS 20 HB2 LYS 20 3.823 -3.638 1.647 152 2HB LYS 20 HB1 LYS 20 5.053 -4.305 2.718 153 1HG LYS 20 HG2 LYS 20 4.064 -2.661 4.489 154 2HG LYS 20 HG1 LYS 20 2.662 -2.613 3.420 155 1HD LYS 20 HD2 LYS 20 3.563 -5.346 3.811 156 2HD LYS 20 HD1 LYS 20 3.233 -4.567 5.359 157 1HE LYS 20 HE2 LYS 20 1.028 -3.746 4.208 158 2HE LYS 20 HE1 LYS 20 1.345 -5.060 3.059 159 1HZ LYS 20 HZ1 LYS 20 0.133 -6.050 4.792 160 2HZ LYS 20 HZ2 LYS 20 1.013 -5.242 5.999 161 3HZ LYS 20 HZ3 LYS 20 1.743 -6.486 5.100 162 H THR 21 HN THR 21 5.840 -3.055 -0.087 163 HA THR 21 HA THR 21 8.520 -4.080 0.430 164 HB THR 21 HB THR 21 7.270 -3.420 -2.252 165 HG1 THR 21 HG1 THR 21 5.725 -4.718 -1.711 166 1HG2 THR 21 HG21 THR 21 8.492 -5.469 -2.930 167 2HG2 THR 21 HG22 THR 21 9.117 -5.623 -1.288 168 3HG2 THR 21 HG23 THR 21 9.579 -4.240 -2.283 169 H TRP 22 HN TRP 22 7.179 -1.146 -1.099 170 HA TRP 22 HA TRP 22 9.583 0.007 -2.090 171 1HB TRP 22 HB2 TRP 22 7.040 0.668 -2.230 172 2HB TRP 22 HB1 TRP 22 7.386 1.604 -0.781 173 HD1 TRP 22 HD1 TRP 22 7.970 1.535 -4.505 174 HE1 TRP 22 HE1 TRP 22 9.209 3.682 -5.218 175 HE3 TRP 22 HE3 TRP 22 9.163 3.425 0.085 176 HZ2 TRP 22 HZ2 TRP 22 10.532 5.908 -3.997 177 HZ3 TRP 22 HZ3 TRP 22 10.410 5.557 0.283 178 HH2 TRP 22 HH2 TRP 22 11.096 6.799 -1.751 179 H LEU 23 HN LEU 23 7.970 0.482 1.067 180 HA LEU 23 HA LEU 23 10.059 2.103 2.227 181 1HB LEU 23 HB2 LEU 23 7.570 0.730 3.024 182 2HB LEU 23 HB1 LEU 23 8.748 0.880 4.326 183 HG LEU 23 HG LEU 23 8.913 3.373 3.298 184 1HD1 LEU 23 HD11 LEU 23 6.028 2.525 2.890 185 2HD1 LEU 23 HD12 LEU 23 7.172 2.881 1.595 186 3HD1 LEU 23 HD13 LEU 23 6.669 4.158 2.702 187 1HD2 LEU 23 HD21 LEU 23 6.659 2.609 5.169 188 2HD2 LEU 23 HD22 LEU 23 7.632 4.079 5.183 189 3HD2 LEU 23 HD23 LEU 23 8.351 2.543 5.663 190 H LYS 24 HN LYS 24 9.447 -1.411 2.174 191 HA LYS 24 HA LYS 24 11.386 -2.237 4.097 192 1HB LYS 24 HB2 LYS 24 9.597 -3.623 3.053 193 2HB LYS 24 HB1 LYS 24 10.478 -3.579 1.526 194 1HG LYS 24 HG2 LYS 24 12.470 -4.522 2.923 195 2HG LYS 24 HG1 LYS 24 11.227 -4.958 4.096 196 1HD LYS 24 HD2 LYS 24 10.100 -5.825 1.744 197 2HD LYS 24 HD1 LYS 24 11.813 -6.134 1.456 198 1HE LYS 24 HE2 LYS 24 10.832 -6.925 4.147 199 2HE LYS 24 HE1 LYS 24 10.198 -7.877 2.790 200 1HZ LYS 24 HZ1 LYS 24 12.444 -8.178 1.972 201 2HZ LYS 24 HZ2 LYS 24 12.339 -8.740 3.571 202 3HZ LYS 24 HZ3 LYS 24 13.070 -7.243 3.242 203 H ALA 25 HN ALA 25 11.710 -1.426 0.647 204 HA ALA 25 HA ALA 25 14.488 -2.281 0.430 205 1HB ALA 25 HB1 ALA 25 12.958 -2.202 -1.479 206 2HB ALA 25 HB2 ALA 25 14.285 -1.073 -1.754 207 3HB ALA 25 HB3 ALA 25 12.709 -0.472 -1.239 208 H LYS 26 HN LYS 26 12.854 0.695 1.390 209 HA LYS 26 HA LYS 26 15.303 2.326 1.164 210 1HB LYS 26 HB2 LYS 26 12.656 2.844 0.930 211 2HB LYS 26 HB1 LYS 26 12.883 3.259 2.629 212 1HG LYS 26 HG2 LYS 26 13.639 5.262 1.910 213 2HG LYS 26 HG1 LYS 26 15.087 4.409 1.375 214 1HD LYS 26 HD2 LYS 26 13.599 3.868 -0.748 215 2HD LYS 26 HD1 LYS 26 12.713 5.299 -0.224 216 1HE LYS 26 HE2 LYS 26 14.290 6.487 -1.365 217 2HE LYS 26 HE1 LYS 26 15.379 6.093 -0.021 218 1HZ LYS 26 HZ1 LYS 26 16.377 5.306 -2.034 219 2HZ LYS 26 HZ2 LYS 26 14.952 4.508 -2.502 220 3HZ LYS 26 HZ3 LYS 26 15.842 3.952 -1.164 221 H LEU 27 HN LEU 27 13.251 0.968 3.769 222 HA LEU 27 HA LEU 27 15.548 1.371 5.654 223 1HB LEU 27 HB2 LEU 27 13.903 2.094 7.347 224 2HB LEU 27 HB1 LEU 27 13.824 3.131 5.925 225 HG LEU 27 HG LEU 27 12.048 0.848 5.635 226 1HD1 LEU 27 HD11 LEU 27 11.594 2.673 8.015 227 2HD1 LEU 27 HD12 LEU 27 11.962 0.949 8.097 228 3HD1 LEU 27 HD13 LEU 27 10.438 1.494 7.393 229 1HD2 LEU 27 HD21 LEU 27 11.347 3.779 5.903 230 2HD2 LEU 27 HD22 LEU 27 10.501 2.540 4.974 231 3HD2 LEU 27 HD23 LEU 27 12.079 3.119 4.440 232 H MET 28 HN MET 28 15.807 -0.302 7.190 233 HA MET 28 HA MET 28 13.824 -2.355 7.671 234 1HB MET 28 HB2 MET 28 14.361 -2.975 5.393 235 2HB MET 28 HB1 MET 28 16.087 -2.916 5.728 236 1HG MET 28 HG2 MET 28 16.062 -4.907 6.926 237 2HG MET 28 HG1 MET 28 14.366 -4.731 7.379 238 1HE MET 28 HE1 MET 28 15.693 -7.726 4.707 239 2HE MET 28 HE2 MET 28 15.256 -7.593 6.408 240 3HE MET 28 HE3 MET 28 16.654 -6.714 5.794 241 HA PRO 29 HA PRO 29 17.889 -3.684 9.825 242 1HB PRO 29 HB2 PRO 29 20.197 -2.318 9.281 243 2HB PRO 29 HB1 PRO 29 19.683 -3.751 8.373 244 1HG PRO 29 HG2 PRO 29 19.441 -0.871 7.658 245 2HG PRO 29 HG1 PRO 29 19.850 -2.257 6.634 246 1HD PRO 29 HD2 PRO 29 17.388 -1.114 6.670 247 2HD PRO 29 HD1 PRO 29 17.659 -2.831 6.307 248 H GLN 30 HN GLN 30 19.611 -2.428 11.399 249 HA GLN 30 HA GLN 30 19.809 -0.901 13.186 250 1HB GLN 30 HB2 GLN 30 19.762 0.445 10.787 251 2HB GLN 30 HB1 GLN 30 18.472 1.258 11.672 252 1HG GLN 30 HG2 GLN 30 19.949 1.817 13.482 253 2HG GLN 30 HG1 GLN 30 21.222 0.777 12.843 254 1HE2 GLN 30 HE21 GLN 30 22.611 1.654 11.229 255 2HE2 GLN 30 HE22 GLN 30 22.445 3.226 10.610 256 H LEU 31 HN LEU 31 17.754 -2.481 13.731 257 HA LEU 31 HA LEU 31 15.742 -2.648 14.936 258 1HB LEU 31 HB2 LEU 31 17.073 -0.684 16.040 259 2HB LEU 31 HB1 LEU 31 15.876 0.350 15.264 260 HG LEU 31 HG LEU 31 14.339 -1.668 16.405 261 1HD1 LEU 31 HD11 LEU 31 15.104 -1.772 18.751 262 2HD1 LEU 31 HD12 LEU 31 16.541 -0.842 18.323 263 3HD1 LEU 31 HD13 LEU 31 16.309 -2.461 17.663 264 1HD2 LEU 31 HD21 LEU 31 13.845 0.758 16.345 265 2HD2 LEU 31 HD22 LEU 31 15.087 1.037 17.566 266 3HD2 LEU 31 HD23 LEU 31 13.645 0.106 17.972
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