NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
623027 | 5nvp | 34130 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HN GLY 1 -26.922 3.176 -2.893 2 HA2 GLY 1 1HA GLY 1 -27.047 1.137 -1.868 3 HA3 GLY 1 2HA GLY 1 -25.942 0.739 -3.170 4 H ILE 2 HN ILE 2 -26.109 -0.448 -0.448 5 HA ILE 2 HA ILE 2 -23.895 0.575 1.031 6 HB ILE 2 HB ILE 2 -25.802 -1.706 1.265 7 HG12 ILE 2 2HG1 ILE 2 -25.264 -0.218 3.670 8 HG13 ILE 2 3HG1 ILE 2 -25.543 0.902 2.351 9 HG21 ILE 2 1HG2 ILE 2 -24.612 -2.627 3.165 10 HG22 ILE 2 2HG2 ILE 2 -23.591 -2.701 1.709 11 HG23 ILE 2 3HG2 ILE 2 -23.292 -1.454 2.943 12 HD11 ILE 2 1HD1 ILE 2 -27.613 -0.523 1.755 13 HD12 ILE 2 2HD1 ILE 2 -27.380 -1.317 3.331 14 HD13 ILE 2 3HD1 ILE 2 -27.709 0.431 3.254 15 H GLY 3 HN GLY 3 -24.438 -1.859 -1.497 16 HA2 GLY 3 1HA GLY 3 -21.917 -3.177 -1.128 17 HA3 GLY 3 2HA GLY 3 -23.040 -3.361 -2.460 18 H ALA 4 HN ALA 4 -23.197 -0.443 -3.070 19 HA ALA 4 HA ALA 4 -20.944 -0.333 -4.801 20 HB1 ALA 4 1HB ALA 4 -22.741 2.015 -4.232 21 HB2 ALA 4 2HB ALA 4 -22.066 1.452 -5.779 22 HB3 ALA 4 3HB ALA 4 -23.419 0.573 -5.027 23 H LEU 5 HN LEU 5 -21.929 1.226 -1.713 24 HA LEU 5 HA LEU 5 -19.798 3.072 -1.683 25 HB2 LEU 5 2HB LEU 5 -22.106 2.661 -0.263 26 HB3 LEU 5 3HB LEU 5 -20.882 2.196 0.901 27 HG LEU 5 HG LEU 5 -21.542 4.549 1.121 28 HD11 LEU 5 1HD1 LEU 5 -18.681 4.265 0.165 29 HD12 LEU 5 2HD1 LEU 5 -19.325 5.511 1.261 30 HD13 LEU 5 3HD1 LEU 5 -19.279 3.809 1.778 31 HD21 LEU 5 1HD2 LEU 5 -21.943 4.776 -1.420 32 HD22 LEU 5 2HD2 LEU 5 -21.298 6.173 -0.527 33 HD23 LEU 5 3HD2 LEU 5 -20.209 5.164 -1.507 34 H PHE 6 HN PHE 6 -20.252 -0.268 -0.418 35 HA PHE 6 HA PHE 6 -17.801 -0.325 0.963 36 HB2 PHE 6 2HB PHE 6 -19.681 -1.880 1.402 37 HB3 PHE 6 3HB PHE 6 -19.695 -2.406 -0.269 38 HD1 PHE 6 1HD PHE 6 -18.471 -3.082 2.990 39 HD2 PHE 6 2HD PHE 6 -17.574 -3.621 -1.122 40 HE1 PHE 6 1HE PHE 6 -16.934 -4.977 3.574 41 HE2 PHE 6 2HE PHE 6 -16.037 -5.518 -0.538 42 HZ PHE 6 HZ PHE 6 -15.735 -6.173 1.803 43 H LEU 7 HN LEU 7 -18.830 -1.404 -2.335 44 HA LEU 7 HA LEU 7 -16.472 -2.651 -3.053 45 HB2 LEU 7 2HB LEU 7 -18.841 -1.543 -4.388 46 HB3 LEU 7 3HB LEU 7 -17.404 -1.569 -5.391 47 HG LEU 7 HG LEU 7 -18.871 -3.572 -5.618 48 HD11 LEU 7 1HD1 LEU 7 -16.052 -4.081 -4.631 49 HD12 LEU 7 2HD1 LEU 7 -17.044 -5.225 -5.565 50 HD13 LEU 7 3HD1 LEU 7 -16.545 -3.680 -6.294 51 HD21 LEU 7 1HD2 LEU 7 -19.647 -4.669 -3.856 52 HD22 LEU 7 2HD2 LEU 7 -17.990 -5.034 -3.319 53 HD23 LEU 7 3HD2 LEU 7 -18.788 -3.536 -2.785 54 H GLY 8 HN GLY 8 -17.422 0.820 -3.148 55 HA2 GLY 8 1HA GLY 8 -15.048 1.673 -4.480 56 HA3 GLY 8 2HA GLY 8 -16.228 2.670 -3.653 57 H PHE 9 HN PHE 9 -15.778 0.647 -1.227 58 HA PHE 9 HA PHE 9 -13.873 2.338 0.055 59 HB2 PHE 9 2HB PHE 9 -16.034 0.694 0.742 60 HB3 PHE 9 3HB PHE 9 -14.682 -0.310 1.228 61 HD1 PHE 9 1HD PHE 9 -13.709 0.007 3.312 62 HD2 PHE 9 2HD PHE 9 -16.019 3.145 1.630 63 HE1 PHE 9 1HE PHE 9 -13.522 1.297 5.458 64 HE2 PHE 9 2HE PHE 9 -15.832 4.433 3.776 65 HZ PHE 9 HZ PHE 9 -14.585 3.493 5.665 66 H LEU 10 HN LEU 10 -13.885 -0.890 -1.464 67 HA LEU 10 HA LEU 10 -11.548 -1.866 -0.296 68 HB2 LEU 10 2HB LEU 10 -12.691 -2.441 -3.032 69 HB3 LEU 10 3HB LEU 10 -11.514 -3.418 -2.176 70 HG LEU 10 HG LEU 10 -14.434 -3.013 -1.535 71 HD11 LEU 10 1HD1 LEU 10 -13.716 -5.708 -1.352 72 HD12 LEU 10 2HD1 LEU 10 -14.601 -4.911 -2.676 73 HD13 LEU 10 3HD1 LEU 10 -12.833 -5.088 -2.768 74 HD21 LEU 10 1HD2 LEU 10 -13.515 -2.782 0.606 75 HD22 LEU 10 2HD2 LEU 10 -13.936 -4.506 0.487 76 HD23 LEU 10 3HD2 LEU 10 -12.245 -3.988 0.295 77 H GLY 11 HN GLY 11 -12.140 0.529 -2.833 78 HA2 GLY 11 1HA GLY 11 -9.679 0.478 -4.144 79 HA3 GLY 11 2HA GLY 11 -10.747 1.859 -3.990 80 H ALA 12 HN ALA 12 -10.713 2.003 -1.048 81 HA ALA 12 HA ALA 12 -8.136 3.306 -0.793 82 HB1 ALA 12 1HB ALA 12 -10.611 3.231 0.981 83 HB2 ALA 12 2HB ALA 12 -9.165 4.225 1.280 84 HB3 ALA 12 3HB ALA 12 -10.166 4.521 -0.161 85 H ALA 13 HN ALA 13 -9.468 0.226 -0.259 86 HA ALA 13 HA ALA 13 -8.199 -0.343 2.231 87 HB1 ALA 13 1HB ALA 13 -9.119 -2.328 0.129 88 HB2 ALA 13 2HB ALA 13 -9.041 -2.541 1.895 89 HB3 ALA 13 3HB ALA 13 -10.262 -1.460 1.182 90 H GLY 14 HN GLY 14 -7.105 0.121 -0.993 91 HA2 GLY 14 1HA GLY 14 -5.049 -1.825 -1.116 92 HA3 GLY 14 2HA GLY 14 -5.187 -0.362 -2.071 93 H SER 15 HN SER 15 -5.381 1.352 0.456 94 HA SER 15 HA SER 15 -2.520 1.392 0.911 95 HB2 SER 15 2HB SER 15 -3.597 3.666 2.124 96 HB3 SER 15 3HB SER 15 -2.857 3.598 0.537 97 HG SER 15 HG SER 15 -4.774 4.193 -0.197 98 H LYS 16 HN LYS 16 -4.213 -0.635 2.196 99 HA LYS 16 HA LYS 16 -5.082 0.003 4.715 100 HB2 LYS 16 2HB LYS 16 -5.494 -2.139 3.614 101 HB3 LYS 16 3HB LYS 16 -3.796 -2.558 3.720 102 HG2 LYS 16 2HG LYS 16 -4.057 -2.195 6.295 103 HG3 LYS 16 3HG LYS 16 -5.783 -2.227 6.001 104 HD2 LYS 16 2HD LYS 16 -4.041 -4.446 4.892 105 HD3 LYS 16 3HD LYS 16 -4.496 -4.471 6.584 106 HE2 LYS 16 2HE LYS 16 -6.217 -5.720 5.524 107 HE3 LYS 16 3HE LYS 16 -6.944 -4.144 5.768 108 HZ1 LYS 16 1HZ LYS 16 -6.436 -5.459 3.315 109 HZ2 LYS 16 2HZ LYS 16 -7.256 -4.074 3.558 110 H LYS 17 HN LYS 17 -1.777 -1.161 3.748 111 HA LYS 17 HA LYS 17 -0.731 0.381 5.992 112 HB2 LYS 17 2HB LYS 17 -0.799 -2.546 5.809 113 HB3 LYS 17 3HB LYS 17 0.818 -1.914 6.047 114 HG2 LYS 17 2HG LYS 17 -0.467 -0.363 7.856 115 HG3 LYS 17 3HG LYS 17 -1.587 -1.711 7.846 116 HD2 LYS 17 2HD LYS 17 1.281 -2.506 7.983 117 HD3 LYS 17 3HD LYS 17 0.722 -1.589 9.369 118 HE2 LYS 17 2HE LYS 17 0.370 -3.986 9.783 119 HE3 LYS 17 3HE LYS 17 -1.184 -3.186 9.659 120 HZ1 LYS 17 1HZ LYS 17 -1.625 -4.213 7.669 121 HZ2 LYS 17 2HZ LYS 17 -0.072 -4.274 7.184 122 H21 ACA 18 1HA ACA 18 1.702 5.764 3.665 123 H22 ACA 18 2HA ACA 18 0.128 5.116 4.075 124 H31 ACA 18 2HB ACA 18 1.031 3.396 5.430 125 H32 ACA 18 3HB ACA 18 2.534 4.256 5.700 126 H41 ACA 18 2HG ACA 18 2.860 2.352 4.137 127 H42 ACA 18 3HG ACA 18 3.221 3.879 3.356 128 H51 ACA 18 2HD ACA 18 1.711 3.382 1.742 129 H52 ACA 18 3HD ACA 18 0.435 3.456 2.940 130 H61 ACA 18 2HE ACA 18 0.719 1.368 1.569 131 H62 ACA 18 3HE ACA 18 2.471 0.670 2.616 132 HN61 ACA 18 HN ACA 18 -0.612 1.532 3.649 133 H LYS 19 HN LYS 19 -0.829 7.081 5.118 134 HA LYS 19 HA LYS 19 1.605 8.689 5.415 135 HB2 LYS 19 2HB LYS 19 -0.710 8.790 3.601 136 HB3 LYS 19 3HB LYS 19 -0.304 10.340 4.310 137 HG2 LYS 19 2HG LYS 19 1.169 10.398 2.529 138 HG3 LYS 19 3HG LYS 19 2.202 9.571 3.678 139 HD2 LYS 19 2HD LYS 19 2.395 8.046 1.962 140 HD3 LYS 19 3HD LYS 19 0.923 7.403 2.664 141 HE2 LYS 19 2HE LYS 19 0.321 7.611 0.399 142 HE3 LYS 19 3HE LYS 19 -0.314 9.099 1.072 143 HZ1 LYS 19 1HZ LYS 19 1.861 8.754 -0.785 144 HZ2 LYS 19 2HZ LYS 19 0.934 10.068 -0.527 145 H ASN 20 HN ASN 20 -1.969 8.842 6.073 146 HA ASN 20 HA ASN 20 -1.259 10.391 8.436 147 HB2 ASN 20 2HB ASN 20 -3.905 10.852 8.260 148 HB3 ASN 20 3HB ASN 20 -2.764 11.782 7.309 149 HD21 ASN 20 1HD2 ASN 20 -4.399 8.615 7.182 150 HD22 ASN 20 2HD2 ASN 20 -4.880 8.683 5.519 151 H GLU 21 HN GLU 21 -2.145 9.699 10.486 152 HA GLU 21 HA GLU 21 -2.611 6.983 10.731 153 HB2 GLU 21 2HB GLU 21 -2.054 7.590 12.832 154 HB3 GLU 21 3HB GLU 21 -2.325 9.281 12.459 155 HG2 GLU 21 2HG GLU 21 -4.781 8.969 12.878 156 HG3 GLU 21 3HG GLU 21 -4.492 7.288 13.278 157 HE2 GLU 21 2HE GLU 21 -2.735 7.393 15.692 158 H GLN 22 HN GLN 22 -4.686 9.527 9.696 159 HA GLN 22 HA GLN 22 -7.092 8.805 10.781 160 HB2 GLN 22 2HB GLN 22 -7.865 10.457 9.431 161 HB3 GLN 22 3HB GLN 22 -6.197 10.673 8.939 162 HG2 GLN 22 2HG GLN 22 -6.570 8.957 7.105 163 HG3 GLN 22 3HG GLN 22 -8.261 8.890 7.561 164 HE21 GLN 22 1HE2 GLN 22 -5.781 11.401 7.033 165 HE22 GLN 22 2HE2 GLN 22 -6.728 12.431 6.012 166 H GLU 23 HN GLU 23 -5.145 7.250 8.275 167 HA GLU 23 HA GLU 23 -7.222 5.796 7.102 168 HB2 GLU 23 2HB GLU 23 -4.858 6.240 6.191 169 HB3 GLU 23 3HB GLU 23 -4.297 4.963 7.253 170 HG2 GLU 23 2HG GLU 23 -6.646 4.400 5.433 171 HG3 GLU 23 3HG GLU 23 -5.038 4.437 4.737 172 HE2 GLU 23 2HE GLU 23 -4.420 2.021 7.599 173 H LEU 24 HN LEU 24 -5.332 5.423 10.062 174 HA LEU 24 HA LEU 24 -5.381 2.769 10.549 175 HB2 LEU 24 2HB LEU 24 -5.917 5.074 12.423 176 HB3 LEU 24 3HB LEU 24 -5.670 3.426 12.964 177 HG LEU 24 HG LEU 24 -3.728 5.446 12.164 178 HD11 LEU 24 1HD1 LEU 24 -3.533 2.799 13.626 179 HD12 LEU 24 2HD1 LEU 24 -2.213 3.984 13.473 180 HD13 LEU 24 3HD1 LEU 24 -3.702 4.418 14.346 181 HD21 LEU 24 1HD2 LEU 24 -3.645 4.213 10.069 182 HD22 LEU 24 2HD2 LEU 24 -2.163 3.937 11.015 183 HD23 LEU 24 3HD2 LEU 24 -3.425 2.684 10.952 184 H LEU 25 HN LEU 25 -8.133 4.977 10.316 185 HA LEU 25 HA LEU 25 -10.061 3.706 11.725 186 HB2 LEU 25 2HB LEU 25 -9.896 5.573 9.567 187 HB3 LEU 25 3HB LEU 25 -11.182 4.435 9.218 188 HG LEU 25 HG LEU 25 -11.352 5.300 11.973 189 HD11 LEU 25 1HD1 LEU 25 -12.133 7.701 11.105 190 HD12 LEU 25 2HD1 LEU 25 -10.480 7.377 11.681 191 HD13 LEU 25 3HD1 LEU 25 -10.825 7.404 9.935 192 HD21 LEU 25 1HD2 LEU 25 -13.193 5.629 9.589 193 HD22 LEU 25 2HD2 LEU 25 -13.186 4.282 10.753 194 HD23 LEU 25 3HD2 LEU 25 -13.635 5.918 11.289 195 H GLU 26 HN GLU 26 -8.889 2.862 8.404 196 HA GLU 26 HA GLU 26 -10.632 0.627 8.301 197 HB2 GLU 26 2HB GLU 26 -8.795 2.035 6.505 198 HB3 GLU 26 3HB GLU 26 -8.631 0.299 6.337 199 HG2 GLU 26 2HG GLU 26 -11.158 0.141 6.108 200 HG3 GLU 26 3HG GLU 26 -11.228 1.892 6.126 201 HE2 GLU 26 2HE GLU 26 -8.781 1.709 3.452 202 H LEU 27 HN LEU 27 -7.405 1.302 9.509 203 HA LEU 27 HA LEU 27 -6.296 -1.250 9.287 204 HB2 LEU 27 2HB LEU 27 -5.133 0.911 9.789 205 HB3 LEU 27 3HB LEU 27 -5.773 0.824 11.418 206 HG LEU 27 HG LEU 27 -4.196 -1.498 10.365 207 HD11 LEU 27 1HD1 LEU 27 -3.036 0.803 9.918 208 HD12 LEU 27 2HD1 LEU 27 -2.740 0.774 11.673 209 HD13 LEU 27 3HD1 LEU 27 -2.120 -0.540 10.645 210 HD21 LEU 27 1HD2 LEU 27 -3.415 -1.247 12.884 211 HD22 LEU 27 2HD2 LEU 27 -4.950 -0.358 13.019 212 HD23 LEU 27 3HD2 LEU 27 -4.945 -2.045 12.450 213 H ASP 28 HN ASP 28 -8.257 0.313 11.896 214 HA ASP 28 HA ASP 28 -8.184 -2.059 13.446 215 HB2 ASP 28 2HB ASP 28 -8.971 -0.680 15.074 216 HB3 ASP 28 3HB ASP 28 -8.747 0.623 13.924 217 HD2 ASP 28 2HD ASP 28 -12.014 1.385 13.825 218 H LYS 29 HN LYS 29 -10.010 -0.812 10.760 219 HA LYS 29 HA LYS 29 -12.486 -2.082 11.360 220 HB2 LYS 29 2HB LYS 29 -12.074 -0.033 9.881 221 HB3 LYS 29 3HB LYS 29 -11.526 -1.152 8.649 222 HG2 LYS 29 2HG LYS 29 -13.992 -2.198 9.695 223 HG3 LYS 29 3HG LYS 29 -14.243 -0.488 9.402 224 HD2 LYS 29 2HD LYS 29 -13.292 -0.794 7.072 225 HD3 LYS 29 3HD LYS 29 -13.180 -2.516 7.379 226 HE2 LYS 29 2HE LYS 29 -15.711 -2.443 7.926 227 HE3 LYS 29 3HE LYS 29 -15.711 -0.821 7.261 228 HZ1 LYS 29 1HZ LYS 29 -14.381 -2.502 5.445 229 HZ2 LYS 29 2HZ LYS 29 -15.780 -3.235 5.841 230 H TRP 30 HN TRP 30 -9.567 -2.867 9.396 231 HA TRP 30 HA TRP 30 -10.731 -5.380 8.585 232 HB2 TRP 30 2HB TRP 30 -8.866 -5.638 7.211 233 HB3 TRP 30 3HB TRP 30 -9.249 -3.929 7.145 234 HD1 TRP 30 1HD TRP 30 -7.233 -2.319 7.633 235 HE1 TRP 30 1HE TRP 30 -4.775 -2.482 8.578 236 HE3 TRP 30 3HE TRP 30 -7.545 -7.190 9.062 237 HZ2 TRP 30 2HZ TRP 30 -3.269 -4.584 9.788 238 HZ3 TRP 30 3HZ TRP 30 -5.536 -8.221 10.117 239 HH2 TRP 30 2HH TRP 30 -3.450 -7.000 10.487 240 H ALA 31 HN ALA 31 -8.177 -4.088 10.794 241 HA ALA 31 HA ALA 31 -7.256 -6.588 11.661 242 HB1 ALA 31 1HB ALA 31 -7.261 -3.883 13.060 243 HB2 ALA 31 2HB ALA 31 -6.234 -5.275 13.479 244 HB3 ALA 31 3HB ALA 31 -6.028 -4.455 11.912 245 H SER 32 HN SER 32 -10.143 -4.705 12.362 246 HA SER 32 HA SER 32 -10.734 -5.506 14.879 247 HB2 SER 32 2HB SER 32 -12.408 -4.115 14.228 248 HB3 SER 32 3HB SER 32 -12.205 -4.525 12.537 249 HG SER 32 HG SER 32 -13.726 -5.975 14.524 250 H LEU 33 HN LEU 33 -10.608 -7.400 11.918 251 HA LEU 33 HA LEU 33 -12.375 -9.433 12.474 252 HB2 LEU 33 2HB LEU 33 -11.514 -10.381 10.653 253 HB3 LEU 33 3HB LEU 33 -10.690 -8.845 10.473 254 HG LEU 33 HG LEU 33 -9.421 -11.170 11.926 255 HD11 LEU 33 1HD1 LEU 33 -8.260 -11.743 9.837 256 HD12 LEU 33 2HD1 LEU 33 -10.020 -11.980 9.713 257 HD13 LEU 33 3HD1 LEU 33 -9.260 -10.556 8.963 258 HD21 LEU 33 1HD2 LEU 33 -7.730 -9.302 10.435 259 HD22 LEU 33 2HD2 LEU 33 -8.679 -8.525 11.726 260 HD23 LEU 33 3HD2 LEU 33 -7.601 -9.889 12.110 261 H TRP 34 HN TRP 34 -9.050 -8.846 13.697 262 HA TRP 34 HA TRP 34 -8.529 -11.271 14.847 263 HB2 TRP 34 2HB TRP 34 -7.860 -8.493 15.832 264 HB3 TRP 34 3HB TRP 34 -7.171 -9.965 16.488 265 HD1 TRP 34 1HD TRP 34 -6.254 -7.398 14.101 266 HE1 TRP 34 1HE TRP 34 -4.437 -8.131 12.333 267 HE3 TRP 34 3HE TRP 34 -6.719 -12.396 14.915 268 HZ2 TRP 34 2HZ TRP 34 -3.422 -10.663 11.491 269 HZ3 TRP 34 3HZ TRP 34 -5.278 -13.929 13.578 270 HH2 TRP 34 2HH TRP 34 -3.673 -13.136 11.915 271 H ASN 35 HN ASN 35 -10.191 -8.401 16.357 272 HA ASN 35 HA ASN 35 -11.793 -10.284 17.849 273 HB2 ASN 35 2HB ASN 35 -11.395 -9.103 19.987 274 HB3 ASN 35 3HB ASN 35 -9.867 -9.673 19.345 275 HD21 ASN 35 1HD2 ASN 35 -8.728 -8.108 17.857 276 HD22 ASN 35 2HD2 ASN 35 -8.666 -6.445 18.339 Start of MODEL 2 1 H1 GLY 1 HN GLY 1 -28.122 -2.283 -2.215 2 HA2 GLY 1 1HA GLY 1 -26.976 -0.707 -4.348 3 HA3 GLY 1 2HA GLY 1 -28.098 -0.185 -3.106 4 H ILE 2 HN ILE 2 -26.909 -0.633 -0.706 5 HA ILE 2 HA ILE 2 -24.961 1.384 -0.604 6 HB ILE 2 HB ILE 2 -26.664 0.538 1.150 7 HG12 ILE 2 2HG1 ILE 2 -24.597 1.116 2.900 8 HG13 ILE 2 3HG1 ILE 2 -24.044 1.835 1.402 9 HG21 ILE 2 1HG2 ILE 2 -25.848 -1.785 1.208 10 HG22 ILE 2 2HG2 ILE 2 -24.291 -1.212 1.856 11 HG23 ILE 2 3HG2 ILE 2 -25.782 -1.002 2.807 12 HD11 ILE 2 1HD1 ILE 2 -26.864 2.269 2.470 13 HD12 ILE 2 2HD1 ILE 2 -25.499 3.336 2.878 14 HD13 ILE 2 3HD1 ILE 2 -26.034 3.181 1.187 15 H GLY 3 HN GLY 3 -24.828 -2.087 -1.155 16 HA2 GLY 3 1HA GLY 3 -22.285 -2.722 -0.275 17 HA3 GLY 3 2HA GLY 3 -23.109 -3.451 -1.639 18 H ALA 4 HN ALA 4 -23.358 -1.099 -3.322 19 HA ALA 4 HA ALA 4 -20.940 -1.203 -4.666 20 HB1 ALA 4 1HB ALA 4 -21.975 0.218 -6.164 21 HB2 ALA 4 2HB ALA 4 -23.403 -0.367 -5.277 22 HB3 ALA 4 3HB ALA 4 -22.699 1.220 -4.885 23 H LEU 5 HN LEU 5 -22.050 0.812 -1.959 24 HA LEU 5 HA LEU 5 -20.058 2.797 -2.240 25 HB2 LEU 5 2HB LEU 5 -22.349 2.573 -0.846 26 HB3 LEU 5 3HB LEU 5 -21.205 2.190 0.424 27 HG LEU 5 HG LEU 5 -19.992 4.365 -0.258 28 HD11 LEU 5 1HD1 LEU 5 -22.287 4.419 -2.065 29 HD12 LEU 5 2HD1 LEU 5 -22.138 5.898 -1.085 30 HD13 LEU 5 3HD1 LEU 5 -20.775 5.357 -2.094 31 HD21 LEU 5 1HD2 LEU 5 -21.495 5.725 1.157 32 HD22 LEU 5 2HD2 LEU 5 -22.720 4.438 1.061 33 HD23 LEU 5 3HD2 LEU 5 -21.156 4.120 1.849 34 H PHE 6 HN PHE 6 -20.321 -0.279 -0.370 35 HA PHE 6 HA PHE 6 -17.898 0.036 0.990 36 HB2 PHE 6 2HB PHE 6 -19.768 -1.572 1.533 37 HB3 PHE 6 3HB PHE 6 -19.484 -2.418 0.025 38 HD1 PHE 6 1HD PHE 6 -17.474 -3.814 -0.256 39 HD2 PHE 6 2HD PHE 6 -18.355 -1.934 3.445 40 HE1 PHE 6 1HE PHE 6 -15.847 -5.334 0.904 41 HE2 PHE 6 2HE PHE 6 -16.730 -3.454 4.605 42 HZ PHE 6 HZ PHE 6 -15.494 -5.136 3.321 43 H LEU 7 HN LEU 7 -18.755 -1.553 -2.142 44 HA LEU 7 HA LEU 7 -16.296 -2.725 -2.624 45 HB2 LEU 7 2HB LEU 7 -18.699 -2.000 -4.146 46 HB3 LEU 7 3HB LEU 7 -17.237 -2.058 -5.111 47 HG LEU 7 HG LEU 7 -18.350 -4.187 -5.217 48 HD11 LEU 7 1HD1 LEU 7 -15.674 -3.866 -4.165 49 HD12 LEU 7 2HD1 LEU 7 -16.384 -5.413 -3.642 50 HD13 LEU 7 3HD1 LEU 7 -16.296 -5.015 -5.375 51 HD21 LEU 7 1HD2 LEU 7 -18.600 -5.594 -3.141 52 HD22 LEU 7 2HD2 LEU 7 -18.272 -4.122 -2.194 53 HD23 LEU 7 3HD2 LEU 7 -19.696 -4.196 -3.259 54 H GLY 8 HN GLY 8 -17.519 0.580 -3.441 55 HA2 GLY 8 1HA GLY 8 -15.158 1.407 -4.765 56 HA3 GLY 8 2HA GLY 8 -16.435 2.428 -4.135 57 H PHE 9 HN PHE 9 -15.968 0.921 -1.391 58 HA PHE 9 HA PHE 9 -14.183 2.907 -0.388 59 HB2 PHE 9 2HB PHE 9 -16.306 1.322 0.525 60 HB3 PHE 9 3HB PHE 9 -14.936 0.494 1.237 61 HD1 PHE 9 1HD PHE 9 -16.589 3.808 1.012 62 HD2 PHE 9 2HD PHE 9 -13.903 1.333 3.173 63 HE1 PHE 9 1HE PHE 9 -16.543 5.485 2.877 64 HE2 PHE 9 2HE PHE 9 -13.858 3.011 5.038 65 HZ PHE 9 HZ PHE 9 -15.178 5.068 4.868 66 H LEU 10 HN LEU 10 -13.959 -0.464 -1.439 67 HA LEU 10 HA LEU 10 -11.705 -1.208 0.023 68 HB2 LEU 10 2HB LEU 10 -12.767 -2.110 -2.654 69 HB3 LEU 10 3HB LEU 10 -11.420 -2.877 -1.834 70 HG LEU 10 HG LEU 10 -14.239 -2.654 -0.738 71 HD11 LEU 10 1HD1 LEU 10 -13.121 -4.452 -2.658 72 HD12 LEU 10 2HD1 LEU 10 -13.450 -5.351 -1.157 73 HD13 LEU 10 3HD1 LEU 10 -14.755 -4.435 -1.950 74 HD21 LEU 10 1HD2 LEU 10 -11.671 -3.516 0.450 75 HD22 LEU 10 2HD2 LEU 10 -13.154 -2.900 1.220 76 HD23 LEU 10 3HD2 LEU 10 -13.054 -4.605 0.719 77 H GLY 11 HN GLY 11 -12.126 1.157 -2.452 78 HA2 GLY 11 1HA GLY 11 -9.701 1.026 -3.826 79 HA3 GLY 11 2HA GLY 11 -10.680 2.457 -3.576 80 H ALA 12 HN ALA 12 -10.556 2.336 -0.596 81 HA ALA 12 HA ALA 12 -7.942 3.560 -0.342 82 HB1 ALA 12 1HB ALA 12 -9.159 3.799 2.099 83 HB2 ALA 12 2HB ALA 12 -9.372 4.948 0.756 84 HB3 ALA 12 3HB ALA 12 -10.573 3.661 1.026 85 H ALA 13 HN ALA 13 -9.434 0.492 0.109 86 HA ALA 13 HA ALA 13 -7.800 -0.269 2.357 87 HB1 ALA 13 1HB ALA 13 -9.340 -2.173 0.594 88 HB2 ALA 13 2HB ALA 13 -9.067 -2.230 2.352 89 HB3 ALA 13 3HB ALA 13 -10.215 -1.055 1.668 90 H GLY 14 HN GLY 14 -7.018 0.500 -0.721 91 HA2 GLY 14 1HA GLY 14 -5.549 -1.820 -1.546 92 HA3 GLY 14 2HA GLY 14 -5.506 -0.216 -2.249 93 H SER 15 HN SER 15 -4.974 0.979 0.551 94 HA SER 15 HA SER 15 -2.124 0.497 0.422 95 HB2 SER 15 2HB SER 15 -3.812 2.794 0.947 96 HB3 SER 15 3HB SER 15 -2.756 2.544 2.322 97 HG SER 15 HG SER 15 -2.150 3.532 -0.168 98 H LYS 16 HN LYS 16 -4.423 -1.188 1.778 99 HA LYS 16 HA LYS 16 -3.771 -0.998 4.563 100 HB2 LYS 16 2HB LYS 16 -5.975 -1.804 3.220 101 HB3 LYS 16 3HB LYS 16 -5.222 -3.361 3.494 102 HG2 LYS 16 2HG LYS 16 -6.543 -3.045 5.436 103 HG3 LYS 16 3HG LYS 16 -4.933 -2.602 5.967 104 HD2 LYS 16 2HD LYS 16 -5.595 -0.483 6.437 105 HD3 LYS 16 3HD LYS 16 -6.237 -0.267 4.820 106 HE2 LYS 16 2HE LYS 16 -8.226 -1.807 5.762 107 HE3 LYS 16 3HE LYS 16 -7.652 -1.225 7.311 108 HZ1 LYS 16 1HZ LYS 16 -8.127 0.720 5.152 109 HZ2 LYS 16 2HZ LYS 16 -9.397 0.163 6.006 110 H LYS 17 HN LYS 17 -2.655 -2.765 1.714 111 HA LYS 17 HA LYS 17 -0.994 -4.425 3.473 112 HB2 LYS 17 2HB LYS 17 -0.898 -6.044 1.742 113 HB3 LYS 17 3HB LYS 17 -2.581 -5.585 1.908 114 HG2 LYS 17 2HG LYS 17 -1.419 -3.764 0.020 115 HG3 LYS 17 3HG LYS 17 -0.862 -5.365 -0.422 116 HD2 LYS 17 2HD LYS 17 -3.771 -5.103 0.282 117 HD3 LYS 17 3HD LYS 17 -3.260 -4.364 -1.223 118 HE2 LYS 17 2HE LYS 17 -1.986 -6.808 -1.395 119 HE3 LYS 17 3HE LYS 17 -3.418 -7.252 -0.488 120 HZ1 LYS 17 1HZ LYS 17 -4.070 -7.398 -2.724 121 HZ2 LYS 17 2HZ LYS 17 -4.669 -5.945 -2.296 122 H21 ACA 18 1HA ACA 18 7.043 -4.380 2.561 123 H22 ACA 18 2HA ACA 18 6.119 -3.245 3.524 124 H31 ACA 18 2HB ACA 18 4.794 -5.737 2.398 125 H32 ACA 18 3HB ACA 18 5.003 -4.317 1.393 126 H41 ACA 18 2HG ACA 18 3.927 -3.594 4.029 127 H42 ACA 18 3HG ACA 18 2.916 -4.792 3.244 128 H51 ACA 18 2HD ACA 18 3.885 -2.325 1.749 129 H52 ACA 18 3HD ACA 18 2.445 -2.274 2.744 130 H61 ACA 18 2HE ACA 18 2.060 -2.693 0.376 131 H62 ACA 18 3HE ACA 18 3.054 -4.602 0.230 132 HN61 ACA 18 HN ACA 18 0.955 -5.099 1.483 133 H LYS 19 HN LYS 19 4.479 -6.076 4.309 134 HA LYS 19 HA LYS 19 5.348 -4.474 6.582 135 HB2 LYS 19 2HB LYS 19 2.880 -4.839 5.301 136 HB3 LYS 19 3HB LYS 19 2.725 -5.709 6.814 137 HG2 LYS 19 2HG LYS 19 2.953 -3.793 8.111 138 HG3 LYS 19 3HG LYS 19 4.033 -3.014 6.972 139 HD2 LYS 19 2HD LYS 19 2.316 -1.916 5.969 140 HD3 LYS 19 3HD LYS 19 1.416 -3.402 5.741 141 HE2 LYS 19 2HE LYS 19 0.555 -3.272 8.068 142 HE3 LYS 19 3HE LYS 19 1.514 -1.836 8.364 143 HZ1 LYS 19 1HZ LYS 19 0.005 -1.373 6.051 144 HZ2 LYS 19 2HZ LYS 19 -1.022 -1.981 7.159 145 H ASN 20 HN ASN 20 3.919 -7.757 5.937 146 HA ASN 20 HA ASN 20 5.335 -8.617 8.332 147 HB2 ASN 20 2HB ASN 20 3.643 -10.671 7.936 148 HB3 ASN 20 3HB ASN 20 3.117 -9.221 8.767 149 HD21 ASN 20 1HD2 ASN 20 3.581 -10.377 5.426 150 HD22 ASN 20 2HD2 ASN 20 2.084 -9.791 4.781 151 H GLU 21 HN GLU 21 6.632 -10.576 8.175 152 HA GLU 21 HA GLU 21 7.835 -10.981 5.718 153 HB2 GLU 21 2HB GLU 21 9.327 -11.857 7.166 154 HB3 GLU 21 3HB GLU 21 8.120 -11.924 8.436 155 HG2 GLU 21 2HG GLU 21 7.281 -14.101 7.509 156 HG3 GLU 21 3HG GLU 21 8.510 -14.036 6.261 157 HE2 GLU 21 2HE GLU 21 10.378 -15.362 7.048 158 H GLN 22 HN GLN 22 4.810 -12.087 6.934 159 HA GLN 22 HA GLN 22 4.649 -14.618 5.904 160 HB2 GLN 22 2HB GLN 22 2.502 -14.468 6.626 161 HB3 GLN 22 3HB GLN 22 2.942 -12.875 7.205 162 HG2 GLN 22 2HG GLN 22 1.026 -12.441 5.893 163 HG3 GLN 22 3HG GLN 22 2.339 -12.038 4.803 164 HE21 GLN 22 1HE2 GLN 22 1.120 -12.404 2.984 165 HE22 GLN 22 2HE2 GLN 22 0.674 -13.983 2.428 166 H GLU 23 HN GLU 23 4.638 -11.474 4.287 167 HA GLU 23 HA GLU 23 3.403 -12.335 1.929 168 HB2 GLU 23 2HB GLU 23 3.544 -9.962 2.519 169 HB3 GLU 23 3HB GLU 23 5.295 -10.013 2.497 170 HG2 GLU 23 2HG GLU 23 4.323 -11.040 -0.031 171 HG3 GLU 23 3HG GLU 23 3.506 -9.525 0.297 172 HE2 GLU 23 2HE GLU 23 6.096 -8.693 -1.573 173 H LEU 24 HN LEU 24 6.649 -12.660 3.257 174 HA LEU 24 HA LEU 24 8.240 -12.844 1.080 175 HB2 LEU 24 2HB LEU 24 8.189 -14.537 3.577 176 HB3 LEU 24 3HB LEU 24 9.488 -14.588 2.402 177 HG LEU 24 HG LEU 24 8.966 -12.673 4.536 178 HD11 LEU 24 1HD1 LEU 24 11.381 -12.202 4.202 179 HD12 LEU 24 2HD1 LEU 24 11.016 -13.932 4.410 180 HD13 LEU 24 3HD1 LEU 24 11.365 -13.284 2.789 181 HD21 LEU 24 1HD2 LEU 24 8.113 -11.258 2.753 182 HD22 LEU 24 2HD2 LEU 24 9.686 -10.655 3.329 183 HD23 LEU 24 3HD2 LEU 24 9.582 -11.545 1.790 184 H LEU 25 HN LEU 25 6.162 -15.497 2.431 185 HA LEU 25 HA LEU 25 6.806 -17.414 0.569 186 HB2 LEU 25 2HB LEU 25 5.315 -17.383 2.743 187 HB3 LEU 25 3HB LEU 25 4.010 -17.168 1.593 188 HG LEU 25 HG LEU 25 4.841 -19.252 0.410 189 HD11 LEU 25 1HD1 LEU 25 6.130 -20.400 2.724 190 HD12 LEU 25 2HD1 LEU 25 6.694 -20.298 1.038 191 HD13 LEU 25 3HD1 LEU 25 7.013 -18.958 2.167 192 HD21 LEU 25 1HD2 LEU 25 3.890 -20.790 2.198 193 HD22 LEU 25 2HD2 LEU 25 3.740 -19.341 3.221 194 HD23 LEU 25 3HD2 LEU 25 2.861 -19.435 1.676 195 H GLU 26 HN GLU 26 4.601 -14.608 0.338 196 HA GLU 26 HA GLU 26 3.532 -15.501 -2.135 197 HB2 GLU 26 2HB GLU 26 3.044 -13.361 -0.218 198 HB3 GLU 26 3HB GLU 26 3.075 -12.709 -1.845 199 HG2 GLU 26 2HG GLU 26 1.522 -14.746 -2.453 200 HG3 GLU 26 3HG GLU 26 1.269 -14.881 -0.724 201 HE2 GLU 26 2HE GLU 26 0.931 -12.878 -3.406 202 H LEU 27 HN LEU 27 6.352 -13.715 -1.057 203 HA LEU 27 HA LEU 27 6.812 -12.139 -3.302 204 HB2 LEU 27 2HB LEU 27 7.966 -12.459 -0.889 205 HB3 LEU 27 3HB LEU 27 9.128 -13.318 -1.881 206 HG LEU 27 HG LEU 27 9.833 -11.031 -1.589 207 HD11 LEU 27 1HD1 LEU 27 10.660 -11.607 -3.618 208 HD12 LEU 27 2HD1 LEU 27 9.060 -12.006 -4.288 209 HD13 LEU 27 3HD1 LEU 27 9.569 -10.306 -4.154 210 HD21 LEU 27 1HD2 LEU 27 8.218 -9.323 -2.923 211 HD22 LEU 27 2HD2 LEU 27 7.008 -10.434 -2.237 212 HD23 LEU 27 3HD2 LEU 27 8.152 -9.592 -1.165 213 H ASP 28 HN ASP 28 7.840 -15.522 -2.519 214 HA ASP 28 HA ASP 28 9.096 -15.783 -5.044 215 HB2 ASP 28 2HB ASP 28 9.628 -17.028 -2.826 216 HB3 ASP 28 3HB ASP 28 8.234 -18.030 -3.176 217 HD2 ASP 28 2HD ASP 28 10.369 -19.346 -2.967 218 H LYS 29 HN LYS 29 5.879 -16.136 -3.695 219 HA LYS 29 HA LYS 29 4.911 -18.110 -5.475 220 HB2 LYS 29 2HB LYS 29 3.988 -17.355 -3.187 221 HB3 LYS 29 3HB LYS 29 3.237 -16.034 -4.060 222 HG2 LYS 29 2HG LYS 29 2.873 -18.757 -5.256 223 HG3 LYS 29 3HG LYS 29 2.067 -18.485 -3.724 224 HD2 LYS 29 2HD LYS 29 1.588 -16.136 -5.266 225 HD3 LYS 29 3HD LYS 29 1.364 -17.477 -6.373 226 HE2 LYS 29 2HE LYS 29 0.012 -18.480 -4.237 227 HE3 LYS 29 3HE LYS 29 -0.191 -16.773 -3.899 228 HZ1 LYS 29 1HZ LYS 29 -1.347 -18.333 -6.033 229 HZ2 LYS 29 2HZ LYS 29 -1.883 -16.944 -5.373 230 H TRP 30 HN TRP 30 5.059 -14.516 -5.490 231 HA TRP 30 HA TRP 30 3.652 -14.425 -8.014 232 HB2 TRP 30 2HB TRP 30 3.581 -12.129 -7.744 233 HB3 TRP 30 3HB TRP 30 3.420 -12.750 -6.112 234 HD1 TRP 30 1HD TRP 30 5.147 -11.807 -4.360 235 HE1 TRP 30 1HE TRP 30 7.309 -10.294 -4.368 236 HE3 TRP 30 3HE TRP 30 5.673 -11.673 -9.416 237 HZ2 TRP 30 2HZ TRP 30 8.960 -9.234 -6.441 238 HZ3 TRP 30 3HZ TRP 30 7.586 -10.377 -10.351 239 HH2 TRP 30 2HH TRP 30 9.197 -9.185 -8.951 240 H ALA 31 HN ALA 31 6.947 -13.712 -6.660 241 HA ALA 31 HA ALA 31 8.139 -13.008 -9.061 242 HB1 ALA 31 1HB ALA 31 9.007 -12.750 -6.680 243 HB2 ALA 31 2HB ALA 31 9.467 -14.468 -6.749 244 HB3 ALA 31 3HB ALA 31 10.203 -13.303 -7.875 245 H SER 32 HN SER 32 7.041 -16.108 -7.842 246 HA SER 32 HA SER 32 8.762 -17.808 -9.098 247 HB2 SER 32 2HB SER 32 7.338 -19.103 -7.895 248 HB3 SER 32 3HB SER 32 6.053 -17.915 -7.979 249 HG SER 32 HG SER 32 5.103 -19.162 -9.423 250 H LEU 33 HN LEU 33 6.237 -15.718 -10.424 251 HA LEU 33 HA LEU 33 5.606 -16.980 -12.765 252 HB2 LEU 33 2HB LEU 33 4.622 -15.045 -13.332 253 HB3 LEU 33 3HB LEU 33 4.897 -14.697 -11.636 254 HG LEU 33 HG LEU 33 6.856 -13.850 -13.775 255 HD11 LEU 33 1HD1 LEU 33 5.737 -11.583 -13.591 256 HD12 LEU 33 2HD1 LEU 33 4.849 -12.832 -14.497 257 HD13 LEU 33 3HD1 LEU 33 4.363 -12.425 -12.834 258 HD21 LEU 33 1HD2 LEU 33 7.198 -13.906 -11.108 259 HD22 LEU 33 2HD2 LEU 33 7.936 -12.682 -12.169 260 HD23 LEU 33 3HD2 LEU 33 6.443 -12.303 -11.277 261 H TRP 34 HN TRP 34 8.596 -15.268 -11.840 262 HA TRP 34 HA TRP 34 9.646 -15.107 -14.455 263 HB2 TRP 34 2HB TRP 34 10.973 -15.048 -11.741 264 HB3 TRP 34 3HB TRP 34 11.803 -14.738 -13.252 265 HD1 TRP 34 1HD TRP 34 10.372 -12.802 -10.569 266 HE1 TRP 34 1HE TRP 34 9.647 -10.350 -11.222 267 HE3 TRP 34 3HE TRP 34 10.423 -13.563 -15.597 268 HZ2 TRP 34 2HZ TRP 34 9.187 -9.034 -13.712 269 HZ3 TRP 34 3HZ TRP 34 9.824 -11.642 -17.068 270 HH2 TRP 34 2HH TRP 34 9.220 -9.438 -16.201 271 H ASN 35 HN ASN 35 10.293 -17.337 -11.648 272 HA ASN 35 HA ASN 35 11.047 -19.319 -13.647 273 HB2 ASN 35 2HB ASN 35 12.230 -19.800 -11.001 274 HB3 ASN 35 3HB ASN 35 13.028 -19.710 -12.560 275 HD21 ASN 35 1HD2 ASN 35 11.882 -17.925 -9.783 276 HD22 ASN 35 2HD2 ASN 35 12.805 -16.478 -10.019 Start of MODEL 3 1 H1 GLY 1 HN GLY 1 -26.156 4.109 -2.916 2 HA2 GLY 1 1HA GLY 1 -26.561 1.496 -4.142 3 HA3 GLY 1 2HA GLY 1 -25.354 2.525 -4.887 4 H ILE 2 HN ILE 2 -26.386 1.306 -1.624 5 HA ILE 2 HA ILE 2 -24.096 1.892 -0.245 6 HB ILE 2 HB ILE 2 -26.320 0.987 0.566 7 HG12 ILE 2 2HG1 ILE 2 -24.146 -0.523 1.938 8 HG13 ILE 2 3HG1 ILE 2 -23.936 1.209 1.783 9 HG21 ILE 2 1HG2 ILE 2 -25.010 -1.607 -0.261 10 HG22 ILE 2 2HG2 ILE 2 -26.311 -1.514 0.950 11 HG23 ILE 2 3HG2 ILE 2 -26.609 -0.976 -0.721 12 HD11 ILE 2 1HD1 ILE 2 -25.100 0.907 3.847 13 HD12 ILE 2 2HD1 ILE 2 -26.347 1.440 2.695 14 HD13 ILE 2 3HD1 ILE 2 -26.218 -0.280 3.134 15 H GLY 3 HN GLY 3 -24.766 -0.773 -2.538 16 HA2 GLY 3 1HA GLY 3 -22.587 -2.409 -1.993 17 HA3 GLY 3 2HA GLY 3 -23.398 -2.248 -3.538 18 H ALA 4 HN ALA 4 -22.884 0.448 -4.214 19 HA ALA 4 HA ALA 4 -20.315 0.246 -5.279 20 HB1 ALA 4 1HB ALA 4 -20.712 2.549 -6.016 21 HB2 ALA 4 2HB ALA 4 -22.194 1.583 -6.214 22 HB3 ALA 4 3HB ALA 4 -22.046 2.715 -4.848 23 H LEU 5 HN LEU 5 -21.588 1.673 -2.258 24 HA LEU 5 HA LEU 5 -19.249 3.121 -1.637 25 HB2 LEU 5 2HB LEU 5 -21.803 3.006 -0.698 26 HB3 LEU 5 3HB LEU 5 -20.943 2.161 0.574 27 HG LEU 5 HG LEU 5 -19.351 4.182 0.618 28 HD11 LEU 5 1HD1 LEU 5 -20.841 4.956 -1.600 29 HD12 LEU 5 2HD1 LEU 5 -21.428 6.005 -0.287 30 HD13 LEU 5 3HD1 LEU 5 -19.692 5.957 -0.677 31 HD21 LEU 5 1HD2 LEU 5 -21.710 3.583 1.978 32 HD22 LEU 5 2HD2 LEU 5 -20.442 4.729 2.476 33 HD23 LEU 5 3HD2 LEU 5 -21.856 5.307 1.562 34 H PHE 6 HN PHE 6 -20.378 -0.229 -1.038 35 HA PHE 6 HA PHE 6 -18.333 -0.870 0.784 36 HB2 PHE 6 2HB PHE 6 -20.582 -2.052 0.272 37 HB3 PHE 6 3HB PHE 6 -19.869 -2.624 -1.224 38 HD1 PHE 6 1HD PHE 6 -17.846 -4.146 -1.092 39 HD2 PHE 6 2HD PHE 6 -20.218 -3.200 2.296 40 HE1 PHE 6 1HE PHE 6 -16.929 -6.149 0.110 41 HE2 PHE 6 2HE PHE 6 -19.302 -5.203 3.498 42 HZ PHE 6 HZ PHE 6 -17.667 -6.654 2.390 43 H LEU 7 HN LEU 7 -18.733 -1.506 -2.772 44 HA LEU 7 HA LEU 7 -16.268 -2.789 -3.060 45 HB2 LEU 7 2HB LEU 7 -18.328 -1.601 -4.833 46 HB3 LEU 7 3HB LEU 7 -16.731 -1.814 -5.522 47 HG LEU 7 HG LEU 7 -18.142 -3.713 -6.041 48 HD11 LEU 7 1HD1 LEU 7 -16.265 -4.837 -3.994 49 HD12 LEU 7 2HD1 LEU 7 -16.586 -5.361 -5.665 50 HD13 LEU 7 3HD1 LEU 7 -15.612 -3.902 -5.361 51 HD21 LEU 7 1HD2 LEU 7 -18.901 -5.249 -4.207 52 HD22 LEU 7 2HD2 LEU 7 -18.484 -3.968 -3.044 53 HD23 LEU 7 3HD2 LEU 7 -19.741 -3.682 -4.272 54 H GLY 8 HN GLY 8 -17.258 0.655 -3.165 55 HA2 GLY 8 1HA GLY 8 -14.736 1.602 -4.117 56 HA3 GLY 8 2HA GLY 8 -16.046 2.544 -3.431 57 H PHE 9 HN PHE 9 -15.871 0.382 -1.066 58 HA PHE 9 HA PHE 9 -14.288 2.064 0.588 59 HB2 PHE 9 2HB PHE 9 -16.393 0.278 0.865 60 HB3 PHE 9 3HB PHE 9 -15.066 -0.747 1.374 61 HD1 PHE 9 1HD PHE 9 -17.241 1.977 2.286 62 HD2 PHE 9 2HD PHE 9 -13.659 -0.045 3.330 63 HE1 PHE 9 1HE PHE 9 -17.335 2.994 4.579 64 HE2 PHE 9 2HE PHE 9 -13.753 0.972 5.623 65 HZ PHE 9 HZ PHE 9 -15.590 2.479 6.220 66 H LEU 10 HN LEU 10 -13.873 -1.132 -1.001 67 HA LEU 10 HA LEU 10 -11.553 -1.863 0.385 68 HB2 LEU 10 2HB LEU 10 -12.301 -2.656 -2.425 69 HB3 LEU 10 3HB LEU 10 -11.299 -3.537 -1.288 70 HG LEU 10 HG LEU 10 -14.289 -3.097 -1.142 71 HD11 LEU 10 1HD1 LEU 10 -14.444 -5.500 -1.356 72 HD12 LEU 10 2HD1 LEU 10 -13.491 -4.838 -2.705 73 HD13 LEU 10 3HD1 LEU 10 -12.671 -5.650 -1.351 74 HD21 LEU 10 1HD2 LEU 10 -12.368 -3.708 0.996 75 HD22 LEU 10 2HD2 LEU 10 -14.046 -3.122 1.083 76 HD23 LEU 10 3HD2 LEU 10 -13.720 -4.859 0.875 77 H GLY 11 HN GLY 11 -12.171 0.239 -2.431 78 HA2 GLY 11 1HA GLY 11 -9.684 0.417 -3.569 79 HA3 GLY 11 2HA GLY 11 -10.838 1.731 -3.459 80 H ALA 12 HN ALA 12 -10.797 1.625 -0.408 81 HA ALA 12 HA ALA 12 -8.482 3.334 -0.122 82 HB1 ALA 12 1HB ALA 12 -9.538 3.644 2.195 83 HB2 ALA 12 2HB ALA 12 -10.506 4.183 0.802 84 HB3 ALA 12 3HB ALA 12 -10.881 2.638 1.602 85 H ALA 13 HN ALA 13 -9.539 0.049 0.611 86 HA ALA 13 HA ALA 13 -7.646 -0.386 2.694 87 HB1 ALA 13 1HB ALA 13 -9.619 -1.729 2.671 88 HB2 ALA 13 2HB ALA 13 -9.392 -2.168 0.962 89 HB3 ALA 13 3HB ALA 13 -8.291 -2.817 2.201 90 H GLY 14 HN GLY 14 -7.554 -0.242 -0.797 91 HA2 GLY 14 1HA GLY 14 -5.211 -1.929 -1.050 92 HA3 GLY 14 2HA GLY 14 -6.032 -1.033 -2.312 93 H SER 15 HN SER 15 -5.833 1.260 0.027 94 HA SER 15 HA SER 15 -3.432 2.320 -1.158 95 HB2 SER 15 2HB SER 15 -5.203 3.901 -1.136 96 HB3 SER 15 3HB SER 15 -5.694 3.475 0.491 97 HG SER 15 HG SER 15 -4.485 5.547 0.254 98 H LYS 16 HN LYS 16 -3.815 0.128 1.127 99 HA LYS 16 HA LYS 16 -2.498 1.387 3.347 100 HB2 LYS 16 2HB LYS 16 -4.007 -1.006 2.861 101 HB3 LYS 16 3HB LYS 16 -2.464 -1.454 3.560 102 HG2 LYS 16 2HG LYS 16 -4.177 0.785 4.720 103 HG3 LYS 16 3HG LYS 16 -4.376 -0.885 5.210 104 HD2 LYS 16 2HD LYS 16 -1.589 0.272 5.250 105 HD3 LYS 16 3HD LYS 16 -2.702 0.780 6.504 106 HE2 LYS 16 2HE LYS 16 -2.954 -2.081 6.230 107 HE3 LYS 16 3HE LYS 16 -1.243 -1.707 6.304 108 HZ1 LYS 16 1HZ LYS 16 -1.465 -1.283 8.484 109 HZ2 LYS 16 2HZ LYS 16 -2.618 -0.160 8.233 110 H LYS 17 HN LYS 17 -1.547 0.231 0.292 111 HA LYS 17 HA LYS 17 1.004 -0.788 1.182 112 HB2 LYS 17 2HB LYS 17 -0.546 -1.479 -0.886 113 HB3 LYS 17 3HB LYS 17 0.402 -0.247 -1.694 114 HG2 LYS 17 2HG LYS 17 2.497 -1.420 -0.732 115 HG3 LYS 17 3HG LYS 17 1.438 -2.738 -0.275 116 HD2 LYS 17 2HD LYS 17 0.749 -2.207 -2.961 117 HD3 LYS 17 3HD LYS 17 2.493 -2.035 -2.928 118 HE2 LYS 17 2HE LYS 17 2.645 -4.283 -1.763 119 HE3 LYS 17 3HE LYS 17 0.910 -4.457 -1.943 120 HZ1 LYS 17 1HZ LYS 17 1.229 -5.122 -4.051 121 HZ2 LYS 17 2HZ LYS 17 2.055 -3.775 -4.443 122 H21 ACA 18 1HA ACA 18 6.408 0.231 3.344 123 H22 ACA 18 2HA ACA 18 5.707 1.275 4.565 124 H31 ACA 18 2HB ACA 18 3.412 0.715 3.714 125 H32 ACA 18 3HB ACA 18 4.125 -0.308 2.482 126 H41 ACA 18 2HG ACA 18 4.320 1.504 1.137 127 H42 ACA 18 3HG ACA 18 5.484 2.180 2.258 128 H51 ACA 18 2HD ACA 18 3.989 3.862 2.590 129 H52 ACA 18 3HD ACA 18 3.061 2.714 3.533 130 H61 ACA 18 2HE ACA 18 1.702 3.772 1.918 131 H62 ACA 18 3HE ACA 18 2.825 3.366 0.121 132 HN61 ACA 18 HN ACA 18 1.363 1.353 2.382 133 H LYS 19 HN LYS 19 3.447 -1.315 4.250 134 HA LYS 19 HA LYS 19 4.158 -0.703 7.030 135 HB2 LYS 19 2HB LYS 19 1.989 0.116 5.372 136 HB3 LYS 19 3HB LYS 19 1.327 -0.925 6.616 137 HG2 LYS 19 2HG LYS 19 1.364 0.966 7.906 138 HG3 LYS 19 3HG LYS 19 3.058 0.578 8.126 139 HD2 LYS 19 2HD LYS 19 2.933 1.957 5.644 140 HD3 LYS 19 3HD LYS 19 1.855 2.837 6.709 141 HE2 LYS 19 2HE LYS 19 4.525 2.019 7.835 142 HE3 LYS 19 3HE LYS 19 4.522 3.302 6.643 143 HZ1 LYS 19 1HZ LYS 19 4.240 4.216 8.863 144 HZ2 LYS 19 2HZ LYS 19 2.868 4.479 8.028 145 H ASN 20 HN ASN 20 2.079 -2.936 5.048 146 HA ASN 20 HA ASN 20 2.109 -4.795 7.222 147 HB2 ASN 20 2HB ASN 20 0.187 -4.270 5.445 148 HB3 ASN 20 3HB ASN 20 1.056 -5.413 4.438 149 HD21 ASN 20 1HD2 ASN 20 -1.426 -6.050 5.057 150 HD22 ASN 20 2HD2 ASN 20 -1.526 -7.318 6.233 151 H GLU 21 HN GLU 21 2.995 -7.015 6.995 152 HA GLU 21 HA GLU 21 5.466 -7.061 5.739 153 HB2 GLU 21 2HB GLU 21 5.663 -8.750 7.222 154 HB3 GLU 21 3HB GLU 21 3.934 -8.732 7.508 155 HG2 GLU 21 2HG GLU 21 3.614 -10.183 5.465 156 HG3 GLU 21 3HG GLU 21 5.354 -10.250 5.268 157 HE2 GLU 21 2HE GLU 21 4.748 -11.455 8.872 158 H GLN 22 HN GLN 22 2.305 -7.431 4.457 159 HA GLN 22 HA GLN 22 2.638 -9.417 2.602 160 HB2 GLN 22 2HB GLN 22 0.724 -8.469 1.479 161 HB3 GLN 22 3HB GLN 22 0.497 -8.206 3.196 162 HG2 GLN 22 2HG GLN 22 0.050 -6.054 2.496 163 HG3 GLN 22 3HG GLN 22 1.791 -5.899 2.629 164 HE21 GLN 22 1HE2 GLN 22 -0.738 -6.954 0.362 165 HE22 GLN 22 2HE2 GLN 22 -0.017 -6.329 -1.084 166 H GLU 23 HN GLU 23 3.929 -6.128 2.707 167 HA GLU 23 HA GLU 23 4.434 -5.890 -0.032 168 HB2 GLU 23 2HB GLU 23 4.391 -4.046 1.765 169 HB3 GLU 23 3HB GLU 23 6.004 -4.562 2.213 170 HG2 GLU 23 2HG GLU 23 6.116 -4.331 -0.600 171 HG3 GLU 23 3HG GLU 23 5.138 -2.965 -0.099 172 HE2 GLU 23 2HE GLU 23 8.915 -3.360 0.216 173 H LEU 24 HN LEU 24 6.045 -7.568 2.624 174 HA LEU 24 HA LEU 24 8.629 -7.697 1.838 175 HB2 LEU 24 2HB LEU 24 6.853 -9.852 2.980 176 HB3 LEU 24 3HB LEU 24 8.590 -10.017 2.819 177 HG LEU 24 HG LEU 24 7.020 -8.630 4.845 178 HD11 LEU 24 1HD1 LEU 24 9.149 -8.868 6.115 179 HD12 LEU 24 2HD1 LEU 24 8.548 -10.391 5.416 180 HD13 LEU 24 3HD1 LEU 24 9.904 -9.532 4.646 181 HD21 LEU 24 1HD2 LEU 24 9.335 -7.109 3.613 182 HD22 LEU 24 2HD2 LEU 24 7.623 -6.620 3.615 183 HD23 LEU 24 3HD2 LEU 24 8.526 -6.709 5.147 184 H LEU 25 HN LEU 25 5.789 -9.144 0.272 185 HA LEU 25 HA LEU 25 7.000 -11.064 -1.272 186 HB2 LEU 25 2HB LEU 25 4.569 -10.627 -1.005 187 HB3 LEU 25 3HB LEU 25 4.726 -9.240 -2.064 188 HG LEU 25 HG LEU 25 5.845 -11.550 -3.370 189 HD11 LEU 25 1HD1 LEU 25 3.122 -11.932 -2.126 190 HD12 LEU 25 2HD1 LEU 25 3.619 -12.778 -3.611 191 HD13 LEU 25 3HD1 LEU 25 4.529 -13.023 -2.101 192 HD21 LEU 25 1HD2 LEU 25 3.592 -9.619 -3.887 193 HD22 LEU 25 2HD2 LEU 25 5.163 -9.770 -4.710 194 HD23 LEU 25 3HD2 LEU 25 3.900 -10.998 -4.969 195 H GLU 26 HN GLU 26 6.646 -7.518 -1.899 196 HA GLU 26 HA GLU 26 8.057 -7.749 -4.348 197 HB2 GLU 26 2HB GLU 26 6.772 -5.579 -2.753 198 HB3 GLU 26 3HB GLU 26 8.101 -5.067 -3.775 199 HG2 GLU 26 2HG GLU 26 6.866 -6.555 -5.615 200 HG3 GLU 26 3HG GLU 26 5.472 -6.333 -4.577 201 HE2 GLU 26 2HE GLU 26 4.822 -3.872 -6.540 202 H LEU 27 HN LEU 27 8.874 -7.325 -0.959 203 HA LEU 27 HA LEU 27 11.288 -5.963 -1.224 204 HB2 LEU 27 2HB LEU 27 10.014 -6.327 0.864 205 HB3 LEU 27 3HB LEU 27 10.474 -8.018 0.836 206 HG LEU 27 HG LEU 27 12.730 -6.105 0.701 207 HD11 LEU 27 1HD1 LEU 27 12.189 -4.827 2.430 208 HD12 LEU 27 2HD1 LEU 27 10.664 -5.715 2.661 209 HD13 LEU 27 3HD1 LEU 27 12.152 -6.277 3.459 210 HD21 LEU 27 1HD2 LEU 27 13.693 -8.077 1.095 211 HD22 LEU 27 2HD2 LEU 27 13.141 -7.886 2.776 212 HD23 LEU 27 3HD2 LEU 27 12.162 -8.819 1.619 213 H ASP 28 HN ASP 28 10.530 -9.504 -1.242 214 HA ASP 28 HA ASP 28 13.251 -10.138 -1.708 215 HB2 ASP 28 2HB ASP 28 10.941 -11.510 -0.878 216 HB3 ASP 28 3HB ASP 28 11.261 -12.188 -2.461 217 HD2 ASP 28 2HD ASP 28 14.590 -12.155 -1.288 218 H LYS 29 HN LYS 29 10.521 -9.102 -3.593 219 HA LYS 29 HA LYS 29 11.166 -10.486 -5.997 220 HB2 LYS 29 2HB LYS 29 8.895 -9.541 -5.232 221 HB3 LYS 29 3HB LYS 29 9.492 -7.983 -5.764 222 HG2 LYS 29 2HG LYS 29 9.749 -10.334 -7.644 223 HG3 LYS 29 3HG LYS 29 8.169 -9.607 -7.435 224 HD2 LYS 29 2HD LYS 29 9.447 -7.323 -7.841 225 HD3 LYS 29 3HD LYS 29 10.701 -8.339 -8.522 226 HE2 LYS 29 2HE LYS 29 8.874 -9.402 -10.000 227 HE3 LYS 29 3HE LYS 29 7.800 -8.134 -9.444 228 HZ1 LYS 29 1HZ LYS 29 10.204 -6.938 -10.272 229 HZ2 LYS 29 2HZ LYS 29 9.738 -7.951 -11.457 230 H TRP 30 HN TRP 30 11.868 -7.253 -4.580 231 HA TRP 30 HA TRP 30 13.338 -6.488 -6.949 232 HB2 TRP 30 2HB TRP 30 13.507 -4.370 -5.993 233 HB3 TRP 30 3HB TRP 30 11.899 -4.932 -5.580 234 HD1 TRP 30 1HD TRP 30 11.288 -4.796 -3.028 235 HE1 TRP 30 1HE TRP 30 12.520 -4.347 -0.738 236 HE3 TRP 30 3HE TRP 30 15.997 -4.855 -4.946 237 HZ2 TRP 30 2HZ TRP 30 15.263 -4.072 -0.002 238 HZ3 TRP 30 3HZ TRP 30 17.896 -4.487 -3.374 239 HH2 TRP 30 2HH TRP 30 17.588 -4.106 -0.979 240 H ALA 31 HN ALA 31 13.867 -7.527 -3.536 241 HA ALA 31 HA ALA 31 16.647 -7.128 -3.538 242 HB1 ALA 31 1HB ALA 31 15.206 -7.373 -1.521 243 HB2 ALA 31 2HB ALA 31 14.948 -9.085 -1.936 244 HB3 ALA 31 3HB ALA 31 16.578 -8.506 -1.514 245 H SER 32 HN SER 32 14.577 -9.475 -5.076 246 HA SER 32 HA SER 32 16.247 -11.664 -5.068 247 HB2 SER 32 2HB SER 32 13.937 -10.694 -6.670 248 HB3 SER 32 3HB SER 32 14.969 -11.831 -7.515 249 HG SER 32 HG SER 32 13.070 -12.522 -5.908 250 H LEU 33 HN LEU 33 16.376 -8.608 -6.832 251 HA LEU 33 HA LEU 33 17.775 -9.249 -9.078 252 HB2 LEU 33 2HB LEU 33 18.007 -7.047 -9.307 253 HB3 LEU 33 3HB LEU 33 16.929 -6.981 -7.926 254 HG LEU 33 HG LEU 33 19.937 -6.952 -7.624 255 HD11 LEU 33 1HD1 LEU 33 18.120 -4.535 -7.821 256 HD12 LEU 33 2HD1 LEU 33 19.875 -4.536 -7.520 257 HD13 LEU 33 3HD1 LEU 33 19.241 -5.087 -9.089 258 HD21 LEU 33 1HD2 LEU 33 17.874 -7.227 -5.770 259 HD22 LEU 33 2HD2 LEU 33 19.572 -6.815 -5.436 260 HD23 LEU 33 3HD2 LEU 33 18.368 -5.522 -5.645 261 H TRP 34 HN TRP 34 18.971 -8.933 -5.700 262 HA TRP 34 HA TRP 34 21.675 -9.026 -6.193 263 HB2 TRP 34 2HB TRP 34 20.138 -10.262 -3.901 264 HB3 TRP 34 3HB TRP 34 21.865 -9.961 -3.926 265 HD1 TRP 34 1HD TRP 34 18.847 -8.382 -2.643 266 HE1 TRP 34 1HE TRP 34 19.095 -5.807 -2.124 267 HE3 TRP 34 3HE TRP 34 23.155 -7.732 -5.266 268 HZ2 TRP 34 2HZ TRP 34 21.021 -3.831 -2.851 269 HZ3 TRP 34 3HZ TRP 34 24.153 -5.448 -5.309 270 HH2 TRP 34 2HH TRP 34 23.157 -3.536 -4.158 271 H ASN 35 HN ASN 35 19.443 -11.812 -5.449 272 HA ASN 35 HA ASN 35 21.286 -13.448 -7.008 273 HB2 ASN 35 2HB ASN 35 20.414 -15.371 -5.508 274 HB3 ASN 35 3HB ASN 35 21.485 -14.219 -4.737 275 HD21 ASN 35 1HD2 ASN 35 20.559 -12.483 -3.495 276 HD22 ASN 35 2HD2 ASN 35 19.055 -12.698 -2.664 Start of MODEL 4 1 H1 GLY 1 HN GLY 1 -27.230 -2.618 -5.114 2 HA2 GLY 1 1HA GLY 1 -26.601 -0.212 -5.365 3 HA3 GLY 1 2HA GLY 1 -27.795 -0.530 -4.123 4 H ILE 2 HN ILE 2 -27.066 -0.742 -1.838 5 HA ILE 2 HA ILE 2 -25.282 1.295 -1.161 6 HB ILE 2 HB ILE 2 -27.073 -0.529 0.136 7 HG12 ILE 2 2HG1 ILE 2 -25.819 1.938 1.337 8 HG13 ILE 2 3HG1 ILE 2 -26.970 2.054 0.021 9 HG21 ILE 2 1HG2 ILE 2 -25.913 -0.818 2.268 10 HG22 ILE 2 2HG2 ILE 2 -25.065 -1.663 0.951 11 HG23 ILE 2 3HG2 ILE 2 -24.433 -0.118 1.568 12 HD11 ILE 2 1HD1 ILE 2 -27.801 0.241 2.235 13 HD12 ILE 2 2HD1 ILE 2 -27.679 1.963 2.668 14 HD13 ILE 2 3HD1 ILE 2 -28.748 1.453 1.340 15 H GLY 3 HN GLY 3 -24.886 -2.226 -1.636 16 HA2 GLY 3 1HA GLY 3 -22.431 -2.621 -0.424 17 HA3 GLY 3 2HA GLY 3 -23.039 -3.492 -1.819 18 H ALA 4 HN ALA 4 -23.257 -1.116 -3.583 19 HA ALA 4 HA ALA 4 -20.745 -1.197 -4.740 20 HB1 ALA 4 1HB ALA 4 -22.538 1.191 -5.089 21 HB2 ALA 4 2HB ALA 4 -21.666 0.235 -6.312 22 HB3 ALA 4 3HB ALA 4 -23.146 -0.413 -5.564 23 H LEU 5 HN LEU 5 -22.032 0.739 -2.078 24 HA LEU 5 HA LEU 5 -20.045 2.765 -2.240 25 HB2 LEU 5 2HB LEU 5 -22.454 2.497 -1.008 26 HB3 LEU 5 3HB LEU 5 -21.368 2.233 0.342 27 HG LEU 5 HG LEU 5 -20.261 4.399 -0.137 28 HD11 LEU 5 1HD1 LEU 5 -21.933 5.878 -1.672 29 HD12 LEU 5 2HD1 LEU 5 -20.456 5.086 -2.272 30 HD13 LEU 5 3HD1 LEU 5 -22.039 4.303 -2.497 31 HD21 LEU 5 1HD2 LEU 5 -23.193 4.979 0.118 32 HD22 LEU 5 2HD2 LEU 5 -22.365 4.015 1.364 33 HD23 LEU 5 3HD2 LEU 5 -21.811 5.667 1.004 34 H PHE 6 HN PHE 6 -20.362 -0.427 -0.676 35 HA PHE 6 HA PHE 6 -18.093 -0.066 0.994 36 HB2 PHE 6 2HB PHE 6 -19.833 -1.685 1.570 37 HB3 PHE 6 3HB PHE 6 -19.813 -2.381 -0.038 38 HD1 PHE 6 1HD PHE 6 -18.663 -2.733 3.277 39 HD2 PHE 6 2HD PHE 6 -17.577 -3.542 -0.744 40 HE1 PHE 6 1HE PHE 6 -17.067 -4.503 4.063 41 HE2 PHE 6 2HE PHE 6 -15.981 -5.312 0.042 42 HZ PHE 6 HZ PHE 6 -15.746 -5.771 2.437 43 H LEU 7 HN LEU 7 -18.718 -1.556 -2.229 44 HA LEU 7 HA LEU 7 -16.182 -2.716 -2.498 45 HB2 LEU 7 2HB LEU 7 -18.521 -2.141 -4.195 46 HB3 LEU 7 3HB LEU 7 -16.995 -2.234 -5.053 47 HG LEU 7 HG LEU 7 -18.183 -4.377 -5.037 48 HD11 LEU 7 1HD1 LEU 7 -15.536 -4.003 -4.727 49 HD12 LEU 7 2HD1 LEU 7 -15.868 -4.998 -3.290 50 HD13 LEU 7 3HD1 LEU 7 -16.290 -5.605 -4.909 51 HD21 LEU 7 1HD2 LEU 7 -19.027 -5.407 -3.224 52 HD22 LEU 7 2HD2 LEU 7 -17.661 -4.938 -2.183 53 HD23 LEU 7 3HD2 LEU 7 -18.968 -3.777 -2.512 54 H GLY 8 HN GLY 8 -17.505 0.532 -3.314 55 HA2 GLY 8 1HA GLY 8 -15.176 1.440 -4.658 56 HA3 GLY 8 2HA GLY 8 -16.490 2.412 -4.029 57 H PHE 9 HN PHE 9 -15.872 0.793 -1.320 58 HA PHE 9 HA PHE 9 -14.189 2.878 -0.293 59 HB2 PHE 9 2HB PHE 9 -16.250 1.168 0.604 60 HB3 PHE 9 3HB PHE 9 -14.831 0.469 1.358 61 HD1 PHE 9 1HD PHE 9 -13.215 2.394 2.416 62 HD2 PHE 9 2HD PHE 9 -17.414 2.683 1.877 63 HE1 PHE 9 1HE PHE 9 -13.329 4.123 4.232 64 HE2 PHE 9 2HE PHE 9 -17.528 4.413 3.692 65 HZ PHE 9 HZ PHE 9 -15.484 5.112 4.848 66 H LEU 10 HN LEU 10 -13.941 -0.589 -1.136 67 HA LEU 10 HA LEU 10 -11.616 -1.185 0.243 68 HB2 LEU 10 2HB LEU 10 -12.487 -2.266 -2.438 69 HB3 LEU 10 3HB LEU 10 -11.389 -3.026 -1.304 70 HG LEU 10 HG LEU 10 -14.370 -2.633 -1.035 71 HD11 LEU 10 1HD1 LEU 10 -14.530 -4.772 -1.610 72 HD12 LEU 10 2HD1 LEU 10 -12.797 -4.727 -2.022 73 HD13 LEU 10 3HD1 LEU 10 -13.315 -5.254 -0.401 74 HD21 LEU 10 1HD2 LEU 10 -12.355 -3.258 1.119 75 HD22 LEU 10 2HD2 LEU 10 -13.663 -2.050 1.122 76 HD23 LEU 10 3HD2 LEU 10 -14.051 -3.784 1.230 77 H GLY 11 HN GLY 11 -12.179 0.921 -2.484 78 HA2 GLY 11 1HA GLY 11 -9.730 0.795 -3.805 79 HA3 GLY 11 2HA GLY 11 -10.798 2.182 -3.726 80 H ALA 12 HN ALA 12 -10.741 2.509 -0.801 81 HA ALA 12 HA ALA 12 -8.237 3.919 -0.651 82 HB1 ALA 12 1HB ALA 12 -10.650 3.661 1.184 83 HB2 ALA 12 2HB ALA 12 -9.228 4.667 1.555 84 HB3 ALA 12 3HB ALA 12 -10.230 5.033 0.129 85 H ALA 13 HN ALA 13 -9.423 0.771 0.102 86 HA ALA 13 HA ALA 13 -7.540 0.409 2.291 87 HB1 ALA 13 1HB ALA 13 -9.460 -1.580 1.021 88 HB2 ALA 13 2HB ALA 13 -8.653 -1.709 2.602 89 HB3 ALA 13 3HB ALA 13 -9.909 -0.475 2.342 90 H GLY 14 HN GLY 14 -6.849 0.961 -0.677 91 HA2 GLY 14 1HA GLY 14 -5.792 -1.445 -1.749 92 HA3 GLY 14 2HA GLY 14 -5.426 0.196 -2.247 93 H SER 15 HN SER 15 -4.762 0.729 0.799 94 HA SER 15 HA SER 15 -2.004 -0.038 0.464 95 HB2 SER 15 2HB SER 15 -3.018 1.570 2.808 96 HB3 SER 15 3HB SER 15 -1.478 1.681 1.979 97 HG SER 15 HG SER 15 -3.801 3.065 1.502 98 H LYS 16 HN LYS 16 -4.894 -0.901 2.260 99 HA LYS 16 HA LYS 16 -3.515 -2.129 4.439 100 HB2 LYS 16 2HB LYS 16 -6.054 -1.206 4.052 101 HB3 LYS 16 3HB LYS 16 -6.302 -2.929 3.846 102 HG2 LYS 16 2HG LYS 16 -4.581 -2.085 6.160 103 HG3 LYS 16 3HG LYS 16 -6.290 -1.721 6.282 104 HD2 LYS 16 2HD LYS 16 -6.925 -3.990 6.246 105 HD3 LYS 16 3HD LYS 16 -5.474 -4.495 5.401 106 HE2 LYS 16 2HE LYS 16 -4.179 -3.784 7.547 107 HE3 LYS 16 3HE LYS 16 -5.743 -3.716 8.333 108 HZ1 LYS 16 1HZ LYS 16 -6.083 -6.031 7.881 109 HZ2 LYS 16 2HZ LYS 16 -4.793 -6.131 6.892 110 H LYS 17 HN LYS 17 -5.312 -3.332 1.522 111 HA LYS 17 HA LYS 17 -4.535 -6.016 2.007 112 HB2 LYS 17 2HB LYS 17 -5.655 -6.506 -0.042 113 HB3 LYS 17 3HB LYS 17 -6.602 -5.297 0.802 114 HG2 LYS 17 2HG LYS 17 -5.077 -3.606 -0.640 115 HG3 LYS 17 3HG LYS 17 -4.929 -5.002 -1.689 116 HD2 LYS 17 2HD LYS 17 -7.600 -5.104 -1.338 117 HD3 LYS 17 3HD LYS 17 -7.386 -3.399 -0.992 118 HE2 LYS 17 2HE LYS 17 -5.928 -3.434 -3.230 119 HE3 LYS 17 3HE LYS 17 -6.838 -4.893 -3.567 120 HZ1 LYS 17 1HZ LYS 17 -8.783 -3.711 -3.769 121 HZ2 LYS 17 2HZ LYS 17 -8.373 -2.562 -2.691 122 H21 ACA 18 1HA ACA 18 -0.815 -6.486 -4.962 123 H22 ACA 18 2HA ACA 18 0.319 -7.717 -4.441 124 H31 ACA 18 2HB ACA 18 -1.203 -8.459 -2.934 125 H32 ACA 18 3HB ACA 18 -2.263 -8.918 -4.251 126 H41 ACA 18 2HG ACA 18 -3.483 -7.396 -2.790 127 H42 ACA 18 3HG ACA 18 -3.174 -6.568 -4.303 128 H51 ACA 18 2HD ACA 18 -2.555 -4.936 -2.726 129 H52 ACA 18 3HD ACA 18 -1.010 -5.662 -3.119 130 H61 ACA 18 2HE ACA 18 -1.500 -7.283 -1.237 131 H62 ACA 18 3HE ACA 18 -0.657 -5.432 -0.519 132 HN61 ACA 18 HN ACA 18 -3.780 -6.652 -0.791 133 H LYS 19 HN LYS 19 -2.155 -6.930 -7.000 134 HA LYS 19 HA LYS 19 -2.762 -9.762 -6.588 135 HB2 LYS 19 2HB LYS 19 -4.308 -7.303 -6.527 136 HB3 LYS 19 3HB LYS 19 -5.006 -8.450 -7.653 137 HG2 LYS 19 2HG LYS 19 -5.304 -10.115 -5.980 138 HG3 LYS 19 3HG LYS 19 -4.123 -9.389 -4.908 139 HD2 LYS 19 2HD LYS 19 -5.883 -8.425 -3.836 140 HD3 LYS 19 3HD LYS 19 -5.990 -7.336 -5.206 141 HE2 LYS 19 2HE LYS 19 -7.292 -9.965 -5.677 142 HE3 LYS 19 3HE LYS 19 -8.009 -9.054 -4.362 143 HZ1 LYS 19 1HZ LYS 19 -8.912 -8.546 -6.645 144 HZ2 LYS 19 2HZ LYS 19 -8.419 -7.229 -5.825 145 H ASN 20 HN ASN 20 -2.990 -7.184 -9.142 146 HA ASN 20 HA ASN 20 -2.719 -9.350 -11.068 147 HB2 ASN 20 2HB ASN 20 -3.521 -7.321 -12.643 148 HB3 ASN 20 3HB ASN 20 -4.683 -8.270 -11.739 149 HD21 ASN 20 1HD2 ASN 20 -2.452 -5.543 -11.191 150 HD22 ASN 20 2HD2 ASN 20 -3.558 -4.525 -10.330 151 H GLU 21 HN GLU 21 -1.041 -9.161 -12.675 152 HA GLU 21 HA GLU 21 1.196 -7.726 -11.933 153 HB2 GLU 21 2HB GLU 21 2.022 -9.265 -13.364 154 HB3 GLU 21 3HB GLU 21 0.424 -9.589 -14.007 155 HG2 GLU 21 2HG GLU 21 0.640 -7.612 -15.533 156 HG3 GLU 21 3HG GLU 21 2.243 -7.301 -14.897 157 HE2 GLU 21 2HE GLU 21 3.563 -10.174 -15.612 158 H GLN 22 HN GLN 22 -1.696 -6.686 -13.489 159 HA GLN 22 HA GLN 22 -0.770 -4.832 -15.275 160 HB2 GLN 22 2HB GLN 22 -2.979 -4.349 -15.484 161 HB3 GLN 22 3HB GLN 22 -3.239 -5.634 -14.321 162 HG2 GLN 22 2HG GLN 22 -2.940 -3.865 -12.472 163 HG3 GLN 22 3HG GLN 22 -2.984 -2.651 -13.735 164 HE21 GLN 22 1HE2 GLN 22 -4.852 -1.756 -12.870 165 HE22 GLN 22 2HE2 GLN 22 -6.417 -2.473 -13.061 166 H GLU 23 HN GLU 23 -0.791 -4.804 -11.741 167 HA GLU 23 HA GLU 23 -0.582 -2.030 -11.444 168 HB2 GLU 23 2HB GLU 23 -1.278 -3.288 -9.540 169 HB3 GLU 23 3HB GLU 23 0.066 -4.404 -9.671 170 HG2 GLU 23 2HG GLU 23 1.628 -2.845 -8.808 171 HG3 GLU 23 3HG GLU 23 0.631 -1.464 -9.221 172 HE2 GLU 23 2HE GLU 23 1.336 -1.347 -6.768 173 H LEU 24 HN LEU 24 1.686 -4.582 -12.314 174 HA LEU 24 HA LEU 24 4.083 -3.650 -11.485 175 HB2 LEU 24 2HB LEU 24 3.309 -4.884 -14.127 176 HB3 LEU 24 3HB LEU 24 4.970 -4.625 -13.632 177 HG LEU 24 HG LEU 24 3.105 -6.739 -12.897 178 HD11 LEU 24 1HD1 LEU 24 5.219 -7.204 -13.949 179 HD12 LEU 24 2HD1 LEU 24 6.102 -6.384 -12.640 180 HD13 LEU 24 3HD1 LEU 24 5.223 -7.897 -12.310 181 HD21 LEU 24 1HD2 LEU 24 3.794 -6.962 -10.548 182 HD22 LEU 24 2HD2 LEU 24 4.611 -5.383 -10.643 183 HD23 LEU 24 3HD2 LEU 24 2.844 -5.483 -10.831 184 H LEU 25 HN LEU 25 2.011 -2.354 -14.107 185 HA LEU 25 HA LEU 25 3.861 -0.649 -15.258 186 HB2 LEU 25 2HB LEU 25 0.929 -0.923 -15.149 187 HB3 LEU 25 3HB LEU 25 1.503 0.692 -15.513 188 HG LEU 25 HG LEU 25 2.792 -0.173 -17.419 189 HD11 LEU 25 1HD1 LEU 25 3.312 -2.399 -16.601 190 HD12 LEU 25 2HD1 LEU 25 1.595 -2.860 -16.688 191 HD13 LEU 25 3HD1 LEU 25 2.496 -2.496 -18.179 192 HD21 LEU 25 1HD2 LEU 25 1.018 -0.232 -18.868 193 HD22 LEU 25 2HD2 LEU 25 0.047 -1.293 -17.820 194 HD23 LEU 25 3HD2 LEU 25 0.226 0.432 -17.419 195 H GLU 26 HN GLU 26 1.695 -0.198 -12.405 196 HA GLU 26 HA GLU 26 2.626 2.458 -12.034 197 HB2 GLU 26 2HB GLU 26 0.612 0.663 -10.846 198 HB3 GLU 26 3HB GLU 26 1.414 1.651 -9.641 199 HG2 GLU 26 2HG GLU 26 0.979 3.550 -11.562 200 HG3 GLU 26 3HG GLU 26 -0.369 2.483 -11.900 201 HE2 GLU 26 2HE GLU 26 -1.727 4.257 -10.960 202 H LEU 27 HN LEU 27 3.638 -0.768 -11.094 203 HA LEU 27 HA LEU 27 4.973 -0.168 -8.724 204 HB2 LEU 27 2HB LEU 27 4.373 -2.419 -9.635 205 HB3 LEU 27 3HB LEU 27 5.691 -2.259 -10.780 206 HG LEU 27 HG LEU 27 6.545 -1.800 -8.015 207 HD11 LEU 27 1HD1 LEU 27 6.438 -4.462 -7.741 208 HD12 LEU 27 2HD1 LEU 27 5.183 -3.369 -7.111 209 HD13 LEU 27 3HD1 LEU 27 4.934 -4.214 -8.659 210 HD21 LEU 27 1HD2 LEU 27 8.005 -3.889 -8.966 211 HD22 LEU 27 2HD2 LEU 27 7.487 -3.114 -10.482 212 HD23 LEU 27 3HD2 LEU 27 8.376 -2.173 -9.259 213 H ASP 28 HN ASP 28 6.004 -0.021 -12.178 214 HA ASP 28 HA ASP 28 8.609 0.825 -11.413 215 HB2 ASP 28 2HB ASP 28 9.136 0.526 -13.637 216 HB3 ASP 28 3HB ASP 28 7.660 -0.417 -13.613 217 HD2 ASP 28 2HD ASP 28 6.331 0.379 -15.619 218 H LYS 29 HN LYS 29 5.461 2.232 -12.079 219 HA LYS 29 HA LYS 29 6.337 4.768 -12.970 220 HB2 LYS 29 2HB LYS 29 4.043 3.642 -13.253 221 HB3 LYS 29 3HB LYS 29 3.704 4.165 -11.616 222 HG2 LYS 29 2HG LYS 29 4.822 6.228 -13.499 223 HG3 LYS 29 3HG LYS 29 3.173 5.707 -13.782 224 HD2 LYS 29 2HD LYS 29 3.361 6.103 -10.970 225 HD3 LYS 29 3HD LYS 29 4.215 7.455 -11.685 226 HE2 LYS 29 2HE LYS 29 1.739 7.869 -11.362 227 HE3 LYS 29 3HE LYS 29 2.280 8.092 -13.014 228 HZ1 LYS 29 1HZ LYS 29 0.201 6.606 -12.500 229 HZ2 LYS 29 2HZ LYS 29 1.222 6.163 -13.689 230 H TRP 30 HN TRP 30 5.561 3.327 -9.764 231 HA TRP 30 HA TRP 30 6.083 5.851 -8.456 232 HB2 TRP 30 2HB TRP 30 5.304 4.853 -6.512 233 HB3 TRP 30 3HB TRP 30 4.300 4.177 -7.779 234 HD1 TRP 30 1HD TRP 30 4.179 1.551 -7.834 235 HE1 TRP 30 1HE TRP 30 5.397 -0.492 -6.692 236 HE3 TRP 30 3HE TRP 30 7.827 4.302 -5.604 237 HZ2 TRP 30 2HZ TRP 30 7.699 -0.722 -5.021 238 HZ3 TRP 30 3HZ TRP 30 9.521 3.090 -4.234 239 HH2 TRP 30 2HH TRP 30 9.498 0.666 -3.925 240 H ALA 31 HN ALA 31 7.528 2.550 -8.818 241 HA ALA 31 HA ALA 31 9.719 2.968 -7.156 242 HB1 ALA 31 1HB ALA 31 8.944 0.772 -8.000 243 HB2 ALA 31 2HB ALA 31 9.456 1.228 -9.642 244 HB3 ALA 31 3HB ALA 31 10.669 1.036 -8.353 245 H SER 32 HN SER 32 8.888 4.331 -10.246 246 HA SER 32 HA SER 32 11.410 4.666 -11.312 247 HB2 SER 32 2HB SER 32 9.786 5.204 -12.856 248 HB3 SER 32 3HB SER 32 8.721 5.911 -11.657 249 HG SER 32 HG SER 32 10.355 7.196 -13.364 250 H LEU 33 HN LEU 33 9.812 6.170 -8.579 251 HA LEU 33 HA LEU 33 10.899 8.666 -8.486 252 HB2 LEU 33 2HB LEU 33 10.151 8.721 -6.370 253 HB3 LEU 33 3HB LEU 33 9.312 7.276 -6.897 254 HG LEU 33 HG LEU 33 11.984 7.161 -5.489 255 HD11 LEU 33 1HD1 LEU 33 9.833 6.438 -3.743 256 HD12 LEU 33 2HD1 LEU 33 11.076 7.696 -3.540 257 HD13 LEU 33 3HD1 LEU 33 9.548 8.080 -4.369 258 HD21 LEU 33 1HD2 LEU 33 11.805 4.942 -5.608 259 HD22 LEU 33 2HD2 LEU 33 10.097 4.966 -5.109 260 HD23 LEU 33 3HD2 LEU 33 10.528 5.219 -6.817 261 H TRP 34 HN TRP 34 12.440 5.511 -7.729 262 HA TRP 34 HA TRP 34 14.750 6.461 -6.551 263 HB2 TRP 34 2HB TRP 34 14.423 4.051 -8.348 264 HB3 TRP 34 3HB TRP 34 15.751 4.340 -7.242 265 HD1 TRP 34 1HD TRP 34 12.699 2.392 -7.323 266 HE1 TRP 34 1HE TRP 34 11.750 1.721 -4.954 267 HE3 TRP 34 3HE TRP 34 15.460 5.749 -4.685 268 HZ2 TRP 34 2HZ TRP 34 12.250 2.649 -2.302 269 HZ3 TRP 34 3HZ TRP 34 15.170 5.801 -2.210 270 HH2 TRP 34 2HH TRP 34 13.631 4.323 -1.018 271 H ASN 35 HN ASN 35 14.118 5.638 -10.044 272 HA ASN 35 HA ASN 35 16.499 7.114 -10.723 273 HB2 ASN 35 2HB ASN 35 14.783 5.993 -12.901 274 HB3 ASN 35 3HB ASN 35 16.517 5.862 -12.680 275 HD21 ASN 35 1HD2 ASN 35 13.848 4.109 -12.898 276 HD22 ASN 35 2HD2 ASN 35 14.198 2.757 -11.873 Start of MODEL 5 1 H1 GLY 1 HN GLY 1 -27.062 3.963 -1.072 2 HA2 GLY 1 1HA GLY 1 -27.541 1.501 -0.828 3 HA3 GLY 1 2HA GLY 1 -26.741 1.329 -2.378 4 H ILE 2 HN ILE 2 -26.135 0.574 0.634 5 HA ILE 2 HA ILE 2 -23.685 1.970 1.127 6 HB ILE 2 HB ILE 2 -25.520 0.627 2.655 7 HG12 ILE 2 2HG1 ILE 2 -23.929 1.055 4.519 8 HG13 ILE 2 3HG1 ILE 2 -22.675 1.414 3.349 9 HG21 ILE 2 1HG2 ILE 2 -23.027 -1.088 2.494 10 HG22 ILE 2 2HG2 ILE 2 -24.309 -1.234 3.720 11 HG23 ILE 2 3HG2 ILE 2 -24.674 -1.555 2.007 12 HD11 ILE 2 1HD1 ILE 2 -24.362 3.297 4.407 13 HD12 ILE 2 2HD1 ILE 2 -23.553 3.468 2.831 14 HD13 ILE 2 3HD1 ILE 2 -25.232 2.880 2.910 15 H GLY 3 HN GLY 3 -24.745 -1.001 -0.492 16 HA2 GLY 3 1HA GLY 3 -22.357 -2.437 -0.493 17 HA3 GLY 3 2HA GLY 3 -23.624 -2.527 -1.700 18 H ALA 4 HN ALA 4 -23.535 0.247 -2.599 19 HA ALA 4 HA ALA 4 -21.461 0.010 -4.491 20 HB1 ALA 4 1HB ALA 4 -22.705 1.575 -5.530 21 HB2 ALA 4 2HB ALA 4 -23.830 1.473 -4.154 22 HB3 ALA 4 3HB ALA 4 -22.544 2.704 -4.162 23 H LEU 5 HN LEU 5 -21.799 1.627 -1.329 24 HA LEU 5 HA LEU 5 -19.465 3.223 -1.660 25 HB2 LEU 5 2HB LEU 5 -21.604 3.378 -0.069 26 HB3 LEU 5 3HB LEU 5 -20.532 2.531 1.029 27 HG LEU 5 HG LEU 5 -18.828 4.401 0.531 28 HD11 LEU 5 1HD1 LEU 5 -19.354 6.002 -0.906 29 HD12 LEU 5 2HD1 LEU 5 -20.923 5.219 -1.210 30 HD13 LEU 5 3HD1 LEU 5 -20.772 6.439 0.076 31 HD21 LEU 5 1HD2 LEU 5 -20.240 4.028 2.629 32 HD22 LEU 5 2HD2 LEU 5 -19.582 5.660 2.360 33 HD23 LEU 5 3HD2 LEU 5 -21.293 5.321 2.006 34 H PHE 6 HN PHE 6 -20.225 -0.048 -0.466 35 HA PHE 6 HA PHE 6 -17.759 -0.443 0.841 36 HB2 PHE 6 2HB PHE 6 -19.940 -1.743 1.118 37 HB3 PHE 6 3HB PHE 6 -19.747 -2.369 -0.507 38 HD1 PHE 6 1HD PHE 6 -17.846 -3.921 -1.005 39 HD2 PHE 6 2HD PHE 6 -18.796 -2.724 2.953 40 HE1 PHE 6 1HE PHE 6 -16.524 -5.854 -0.104 41 HE2 PHE 6 2HE PHE 6 -17.473 -4.657 3.856 42 HZ PHE 6 HZ PHE 6 -16.353 -6.199 2.317 43 H LEU 7 HN LEU 7 -18.999 -1.260 -2.463 44 HA LEU 7 HA LEU 7 -16.763 -2.673 -3.301 45 HB2 LEU 7 2HB LEU 7 -19.052 -1.284 -4.577 46 HB3 LEU 7 3HB LEU 7 -17.670 -1.620 -5.600 47 HG LEU 7 HG LEU 7 -19.379 -3.369 -5.747 48 HD11 LEU 7 1HD1 LEU 7 -16.764 -3.747 -5.794 49 HD12 LEU 7 2HD1 LEU 7 -17.112 -4.729 -4.352 50 HD13 LEU 7 3HD1 LEU 7 -17.905 -5.110 -5.900 51 HD21 LEU 7 1HD2 LEU 7 -20.446 -3.380 -3.656 52 HD22 LEU 7 2HD2 LEU 7 -19.595 -4.940 -3.743 53 HD23 LEU 7 3HD2 LEU 7 -18.916 -3.609 -2.775 54 H GLY 8 HN GLY 8 -17.419 0.827 -3.062 55 HA2 GLY 8 1HA GLY 8 -15.055 1.554 -4.549 56 HA3 GLY 8 2HA GLY 8 -16.161 2.616 -3.702 57 H PHE 9 HN PHE 9 -15.752 0.466 -1.335 58 HA PHE 9 HA PHE 9 -13.784 2.062 -0.022 59 HB2 PHE 9 2HB PHE 9 -15.985 0.531 0.678 60 HB3 PHE 9 3HB PHE 9 -14.709 -0.623 1.013 61 HD1 PHE 9 1HD PHE 9 -16.535 2.155 2.258 62 HD2 PHE 9 2HD PHE 9 -12.796 0.171 2.560 63 HE1 PHE 9 1HE PHE 9 -16.138 3.241 4.485 64 HE2 PHE 9 2HE PHE 9 -12.399 1.256 4.788 65 HZ PHE 9 HZ PHE 9 -14.075 2.780 5.724 66 H LEU 10 HN LEU 10 -13.901 -1.090 -1.680 67 HA LEU 10 HA LEU 10 -11.626 -2.231 -0.585 68 HB2 LEU 10 2HB LEU 10 -12.749 -2.506 -3.377 69 HB3 LEU 10 3HB LEU 10 -11.588 -3.587 -2.632 70 HG LEU 10 HG LEU 10 -14.468 -3.152 -1.809 71 HD11 LEU 10 1HD1 LEU 10 -14.614 -4.613 -3.559 72 HD12 LEU 10 2HD1 LEU 10 -12.988 -5.285 -3.287 73 HD13 LEU 10 3HD1 LEU 10 -14.336 -5.760 -2.227 74 HD21 LEU 10 1HD2 LEU 10 -12.244 -4.625 -0.402 75 HD22 LEU 10 2HD2 LEU 10 -13.380 -3.419 0.249 76 HD23 LEU 10 3HD2 LEU 10 -13.956 -5.050 -0.171 77 H GLY 11 HN GLY 11 -12.049 0.410 -2.898 78 HA2 GLY 11 1HA GLY 11 -9.549 0.371 -4.142 79 HA3 GLY 11 2HA GLY 11 -10.575 1.772 -3.907 80 H ALA 12 HN ALA 12 -10.624 1.588 -0.937 81 HA ALA 12 HA ALA 12 -8.046 2.838 -0.495 82 HB1 ALA 12 1HB ALA 12 -10.631 2.632 1.087 83 HB2 ALA 12 2HB ALA 12 -9.159 3.395 1.732 84 HB3 ALA 12 3HB ALA 12 -9.948 4.066 0.284 85 H ALA 13 HN ALA 13 -9.012 -0.277 -0.637 86 HA ALA 13 HA ALA 13 -8.273 -1.309 1.874 87 HB1 ALA 13 1HB ALA 13 -8.169 -2.664 -0.849 88 HB2 ALA 13 2HB ALA 13 -8.341 -3.446 0.742 89 HB3 ALA 13 3HB ALA 13 -9.660 -2.439 0.097 90 H GLY 14 HN GLY 14 -6.482 -0.356 -1.062 91 HA2 GLY 14 1HA GLY 14 -4.020 -1.581 -0.139 92 HA3 GLY 14 2HA GLY 14 -4.275 -0.645 -1.599 93 H SER 15 HN SER 15 -5.771 1.416 0.297 94 HA SER 15 HA SER 15 -3.316 2.821 0.907 95 HB2 SER 15 2HB SER 15 -6.156 3.618 0.330 96 HB3 SER 15 3HB SER 15 -5.224 4.680 1.366 97 HG SER 15 HG SER 15 -4.592 5.475 -0.543 98 H LYS 16 HN LYS 16 -4.850 0.558 2.495 99 HA LYS 16 HA LYS 16 -5.988 1.550 4.770 100 HB2 LYS 16 2HB LYS 16 -5.184 -0.935 3.798 101 HB3 LYS 16 3HB LYS 16 -4.273 -0.759 5.284 102 HG2 LYS 16 2HG LYS 16 -6.188 -1.500 6.294 103 HG3 LYS 16 3HG LYS 16 -6.729 0.158 6.113 104 HD2 LYS 16 2HD LYS 16 -7.979 -0.340 4.128 105 HD3 LYS 16 3HD LYS 16 -7.149 -1.863 3.880 106 HE2 LYS 16 2HE LYS 16 -8.858 -1.356 6.352 107 HE3 LYS 16 3HE LYS 16 -9.551 -1.967 4.863 108 HZ1 LYS 16 1HZ LYS 16 -7.864 -3.801 4.992 109 HZ2 LYS 16 2HZ LYS 16 -7.428 -3.277 6.472 110 H LYS 17 HN LYS 17 -2.600 1.589 3.753 111 HA LYS 17 HA LYS 17 -1.250 1.815 6.081 112 HB2 LYS 17 2HB LYS 17 -0.851 3.452 3.560 113 HB3 LYS 17 3HB LYS 17 0.333 3.262 4.837 114 HG2 LYS 17 2HG LYS 17 0.859 1.106 4.221 115 HG3 LYS 17 3HG LYS 17 -0.800 0.698 3.828 116 HD2 LYS 17 2HD LYS 17 0.616 0.708 1.791 117 HD3 LYS 17 3HD LYS 17 -0.636 1.930 1.687 118 HE2 LYS 17 2HE LYS 17 1.349 3.409 2.860 119 HE3 LYS 17 3HE LYS 17 2.329 2.265 1.965 120 HZ1 LYS 17 1HZ LYS 17 1.143 4.483 0.906 121 HZ2 LYS 17 2HZ LYS 17 1.749 3.248 0.034 122 H21 ACA 18 1HA ACA 18 -5.548 4.077 12.009 123 H22 ACA 18 2HA ACA 18 -4.951 2.770 11.005 124 H31 ACA 18 2HB ACA 18 -2.766 3.865 10.767 125 H32 ACA 18 3HB ACA 18 -3.205 5.098 11.933 126 H41 ACA 18 2HG ACA 18 -3.752 6.294 10.045 127 H42 ACA 18 3HG ACA 18 -5.268 5.427 10.193 128 H51 ACA 18 2HD ACA 18 -4.624 5.095 7.924 129 H52 ACA 18 3HD ACA 18 -4.207 3.588 8.715 130 H61 ACA 18 2HE ACA 18 -2.539 5.726 7.618 131 H62 ACA 18 3HE ACA 18 -1.549 5.019 9.399 132 HN61 ACA 18 HN ACA 18 -1.811 2.882 7.904 133 H LYS 19 HN LYS 19 -3.408 1.134 12.027 134 HA LYS 19 HA LYS 19 -5.381 1.095 14.191 135 HB2 LYS 19 2HB LYS 19 -4.965 -0.486 11.763 136 HB3 LYS 19 3HB LYS 19 -5.148 -1.487 13.189 137 HG2 LYS 19 2HG LYS 19 -7.348 -0.895 13.487 138 HG3 LYS 19 3HG LYS 19 -7.060 0.784 13.078 139 HD2 LYS 19 2HD LYS 19 -7.064 0.274 10.682 140 HD3 LYS 19 3HD LYS 19 -7.107 -1.449 10.997 141 HE2 LYS 19 2HE LYS 19 -9.372 -1.058 10.601 142 HE3 LYS 19 3HE LYS 19 -9.333 -0.853 12.341 143 HZ1 LYS 19 1HZ LYS 19 -9.355 1.486 12.106 144 HZ2 LYS 19 2HZ LYS 19 -8.938 1.456 10.532 145 H ASN 20 HN ASN 20 -2.442 -0.711 13.037 146 HA ASN 20 HA ASN 20 -2.020 -1.615 15.717 147 HB2 ASN 20 2HB ASN 20 -0.968 -2.228 12.997 148 HB3 ASN 20 3HB ASN 20 0.255 -2.315 14.249 149 HD21 ASN 20 1HD2 ASN 20 -0.231 -3.588 16.177 150 HD22 ASN 20 2HD2 ASN 20 -1.175 -5.034 16.035 151 H GLU 21 HN GLU 21 -0.287 -0.891 17.085 152 HA GLU 21 HA GLU 21 0.551 1.710 16.745 153 HB2 GLU 21 2HB GLU 21 0.915 1.308 18.938 154 HB3 GLU 21 3HB GLU 21 0.879 -0.426 18.681 155 HG2 GLU 21 2HG GLU 21 3.271 -0.388 17.980 156 HG3 GLU 21 3HG GLU 21 3.315 1.352 18.187 157 HE2 GLU 21 2HE GLU 21 1.974 0.294 21.481 158 H GLN 22 HN GLN 22 1.683 -1.210 15.279 159 HA GLN 22 HA GLN 22 4.371 -0.741 15.068 160 HB2 GLN 22 2HB GLN 22 4.367 -2.390 13.372 161 HB3 GLN 22 3HB GLN 22 2.966 -2.792 14.345 162 HG2 GLN 22 2HG GLN 22 1.958 -2.844 12.262 163 HG3 GLN 22 3HG GLN 22 1.724 -1.144 12.619 164 HE21 GLN 22 1HE2 GLN 22 3.785 -3.489 10.992 165 HE22 GLN 22 2HE2 GLN 22 4.458 -2.427 9.800 166 H GLU 23 HN GLU 23 1.635 0.826 13.472 167 HA GLU 23 HA GLU 23 3.079 1.847 11.303 168 HB2 GLU 23 2HB GLU 23 0.671 1.730 11.175 169 HB3 GLU 23 3HB GLU 23 0.474 2.670 12.641 170 HG2 GLU 23 2HG GLU 23 1.999 3.920 10.356 171 HG3 GLU 23 3HG GLU 23 0.257 3.795 10.208 172 HE2 GLU 23 2HE GLU 23 1.010 6.100 10.258 173 H LEU 24 HN LEU 24 2.758 2.760 14.694 174 HA LEU 24 HA LEU 24 3.203 5.419 14.720 175 HB2 LEU 24 2HB LEU 24 4.378 3.264 16.473 176 HB3 LEU 24 3HB LEU 24 4.515 4.976 16.824 177 HG LEU 24 HG LEU 24 2.293 3.145 17.267 178 HD11 LEU 24 1HD1 LEU 24 3.356 4.400 19.048 179 HD12 LEU 24 2HD1 LEU 24 2.926 5.938 18.261 180 HD13 LEU 24 3HD1 LEU 24 1.649 4.877 18.902 181 HD21 LEU 24 1HD2 LEU 24 1.347 4.164 15.273 182 HD22 LEU 24 2HD2 LEU 24 0.480 4.715 16.726 183 HD23 LEU 24 3HD2 LEU 24 1.656 5.789 15.930 184 H LEU 25 HN LEU 25 5.649 2.823 14.159 185 HA LEU 25 HA LEU 25 7.902 4.375 14.120 186 HB2 LEU 25 2HB LEU 25 7.211 1.754 13.555 187 HB3 LEU 25 3HB LEU 25 7.858 2.336 12.034 188 HG LEU 25 HG LEU 25 9.477 2.993 14.427 189 HD11 LEU 25 1HD1 LEU 25 8.794 0.794 15.111 190 HD12 LEU 25 2HD1 LEU 25 9.133 0.133 13.493 191 HD13 LEU 25 3HD1 LEU 25 10.470 0.713 14.515 192 HD21 LEU 25 1HD2 LEU 25 10.424 1.647 11.911 193 HD22 LEU 25 2HD2 LEU 25 9.984 3.372 11.909 194 HD23 LEU 25 3HD2 LEU 25 11.276 2.785 12.983 195 H GLU 26 HN GLU 26 5.459 3.841 11.525 196 HA GLU 26 HA GLU 26 6.937 5.425 9.694 197 HB2 GLU 26 2HB GLU 26 4.571 3.722 9.661 198 HB3 GLU 26 3HB GLU 26 4.239 5.224 8.821 199 HG2 GLU 26 2HG GLU 26 6.683 4.727 7.767 200 HG3 GLU 26 3HG GLU 26 6.240 3.077 8.157 201 HE2 GLU 26 2HE GLU 26 4.060 5.173 5.518 202 H LEU 27 HN LEU 27 4.590 5.984 12.240 203 HA LEU 27 HA LEU 27 3.395 8.312 11.308 204 HB2 LEU 27 2HB LEU 27 2.772 6.862 13.279 205 HB3 LEU 27 3HB LEU 27 4.054 7.649 14.177 206 HG LEU 27 HG LEU 27 2.188 9.528 12.889 207 HD11 LEU 27 1HD1 LEU 27 1.183 7.586 14.982 208 HD12 LEU 27 2HD1 LEU 27 0.402 9.140 14.602 209 HD13 LEU 27 3HD1 LEU 27 0.526 7.878 13.353 210 HD21 LEU 27 1HD2 LEU 27 2.942 9.313 15.803 211 HD22 LEU 27 2HD2 LEU 27 4.033 10.013 14.583 212 HD23 LEU 27 3HD2 LEU 27 2.440 10.750 14.881 213 H ASP 28 HN ASP 28 6.485 7.760 13.088 214 HA ASP 28 HA ASP 28 6.994 10.554 13.182 215 HB2 ASP 28 2HB ASP 28 8.028 8.165 14.388 216 HB3 ASP 28 3HB ASP 28 9.371 8.919 13.552 217 HD2 ASP 28 2HD ASP 28 7.814 10.718 16.767 218 H LYS 29 HN LYS 29 7.552 7.822 11.023 219 HA LYS 29 HA LYS 29 9.847 8.796 9.711 220 HB2 LYS 29 2HB LYS 29 8.985 6.424 9.738 221 HB3 LYS 29 3HB LYS 29 7.730 6.921 8.622 222 HG2 LYS 29 2HG LYS 29 10.443 7.799 7.801 223 HG3 LYS 29 3HG LYS 29 10.279 6.057 7.901 224 HD2 LYS 29 2HD LYS 29 8.163 6.251 6.486 225 HD3 LYS 29 3HD LYS 29 8.521 7.954 6.277 226 HE2 LYS 29 2HE LYS 29 10.799 6.117 5.683 227 HE3 LYS 29 3HE LYS 29 9.429 5.961 4.602 228 HZ1 LYS 29 1HZ LYS 29 10.854 7.663 3.741 229 HZ2 LYS 29 2HZ LYS 29 9.547 8.441 4.323 230 H TRP 30 HN TRP 30 6.305 9.184 9.192 231 HA TRP 30 HA TRP 30 6.784 10.803 6.848 232 HB2 TRP 30 2HB TRP 30 4.492 10.740 6.498 233 HB3 TRP 30 3HB TRP 30 4.877 9.156 7.144 234 HD1 TRP 30 1HD TRP 30 3.445 8.410 9.221 235 HE1 TRP 30 1HE TRP 30 1.714 9.490 10.895 236 HE3 TRP 30 3HE TRP 30 4.093 13.196 7.630 237 HZ2 TRP 30 2HZ TRP 30 0.830 12.163 11.356 238 HZ3 TRP 30 3HZ TRP 30 2.757 14.982 8.746 239 HH2 TRP 30 2HH TRP 30 1.170 14.527 10.548 240 H ALA 31 HN ALA 31 5.527 11.135 10.236 241 HA ALA 31 HA ALA 31 5.049 13.873 10.123 242 HB1 ALA 31 1HB ALA 31 4.195 12.356 11.870 243 HB2 ALA 31 2HB ALA 31 5.852 12.106 12.471 244 HB3 ALA 31 3HB ALA 31 5.094 13.713 12.590 245 H SER 32 HN SER 32 8.020 12.034 10.169 246 HA SER 32 HA SER 32 9.684 13.749 11.486 247 HB2 SER 32 2HB SER 32 10.895 11.900 10.941 248 HB3 SER 32 3HB SER 32 9.936 11.578 9.511 249 HG SER 32 HG SER 32 11.801 12.153 8.559 250 H LEU 33 HN LEU 33 8.084 14.065 8.365 251 HA LEU 33 HA LEU 33 9.745 15.722 6.979 252 HB2 LEU 33 2HB LEU 33 8.018 15.928 5.599 253 HB3 LEU 33 3HB LEU 33 7.263 14.733 6.636 254 HG LEU 33 HG LEU 33 6.915 17.699 7.095 255 HD11 LEU 33 1HD1 LEU 33 5.284 15.876 5.312 256 HD12 LEU 33 2HD1 LEU 33 4.729 17.461 5.904 257 HD13 LEU 33 3HD1 LEU 33 6.162 17.355 4.853 258 HD21 LEU 33 1HD2 LEU 33 5.484 15.219 8.055 259 HD22 LEU 33 2HD2 LEU 33 6.289 16.485 9.014 260 HD23 LEU 33 3HD2 LEU 33 4.769 16.846 8.162 261 H TRP 34 HN TRP 34 8.047 16.323 9.993 262 HA TRP 34 HA TRP 34 8.160 19.172 9.779 263 HB2 TRP 34 2HB TRP 34 7.680 17.374 12.163 264 HB3 TRP 34 3HB TRP 34 7.474 19.114 12.140 265 HD1 TRP 34 1HD TRP 34 5.382 16.176 11.920 266 HE1 TRP 34 1HE TRP 34 3.061 16.549 10.721 267 HE3 TRP 34 3HE TRP 34 6.627 20.596 9.736 268 HZ2 TRP 34 2HZ TRP 34 2.029 18.606 9.033 269 HZ3 TRP 34 3HZ TRP 34 4.905 21.721 8.329 270 HH2 TRP 34 2HH TRP 34 2.673 20.796 7.961 271 H ASN 35 HN ASN 35 9.828 16.709 11.888 272 HA ASN 35 HA ASN 35 11.790 18.595 12.624 273 HB2 ASN 35 2HB ASN 35 11.477 15.583 12.993 274 HB3 ASN 35 3HB ASN 35 12.924 16.407 13.537 275 HD21 ASN 35 1HD2 ASN 35 9.409 16.312 13.793 276 HD22 ASN 35 2HD2 ASN 35 9.270 16.981 15.384 Start of MODEL 6 1 H1 GLY 1 HN GLY 1 -26.949 2.557 -5.192 2 HA2 GLY 1 1HA GLY 1 -26.899 0.417 -4.511 3 HA3 GLY 1 2HA GLY 1 -25.438 0.216 -5.457 4 H ILE 2 HN ILE 2 -26.752 0.237 -2.308 5 HA ILE 2 HA ILE 2 -24.833 1.316 -0.707 6 HB ILE 2 HB ILE 2 -26.716 -0.988 -0.444 7 HG12 ILE 2 2HG1 ILE 2 -26.486 1.531 1.212 8 HG13 ILE 2 3HG1 ILE 2 -27.351 1.490 -0.312 9 HG21 ILE 2 1HG2 ILE 2 -26.062 -1.281 1.908 10 HG22 ILE 2 2HG2 ILE 2 -24.761 -1.744 0.784 11 HG23 ILE 2 3HG2 ILE 2 -24.678 -0.192 1.652 12 HD11 ILE 2 1HD1 ILE 2 -28.302 0.676 2.253 13 HD12 ILE 2 2HD1 ILE 2 -29.150 0.556 0.693 14 HD13 ILE 2 3HD1 ILE 2 -28.155 -0.802 1.271 15 H GLY 3 HN GLY 3 -24.840 -1.917 -2.315 16 HA2 GLY 3 1HA GLY 3 -22.485 -2.891 -1.152 17 HA3 GLY 3 2HA GLY 3 -23.187 -3.394 -2.678 18 H ALA 4 HN ALA 4 -23.093 -0.747 -3.980 19 HA ALA 4 HA ALA 4 -20.478 -0.906 -5.010 20 HB1 ALA 4 1HB ALA 4 -21.235 0.662 -6.545 21 HB2 ALA 4 2HB ALA 4 -22.780 -0.028 -5.995 22 HB3 ALA 4 3HB ALA 4 -22.216 1.528 -5.339 23 H LEU 5 HN LEU 5 -22.001 0.907 -2.372 24 HA LEU 5 HA LEU 5 -20.020 2.912 -2.196 25 HB2 LEU 5 2HB LEU 5 -22.492 2.391 -1.072 26 HB3 LEU 5 3HB LEU 5 -21.395 2.212 0.283 27 HG LEU 5 HG LEU 5 -20.436 4.517 -0.535 28 HD11 LEU 5 1HD1 LEU 5 -23.259 4.802 -1.567 29 HD12 LEU 5 2HD1 LEU 5 -21.903 5.947 -1.698 30 HD13 LEU 5 3HD1 LEU 5 -21.879 4.429 -2.626 31 HD21 LEU 5 1HD2 LEU 5 -21.264 4.656 1.570 32 HD22 LEU 5 2HD2 LEU 5 -22.541 5.576 0.740 33 HD23 LEU 5 3HD2 LEU 5 -22.800 3.863 1.144 34 H PHE 6 HN PHE 6 -20.470 -0.336 -0.706 35 HA PHE 6 HA PHE 6 -18.196 -0.073 0.966 36 HB2 PHE 6 2HB PHE 6 -20.002 -1.633 1.515 37 HB3 PHE 6 3HB PHE 6 -19.986 -2.322 -0.097 38 HD1 PHE 6 1HD PHE 6 -18.663 -2.538 3.231 39 HD2 PHE 6 2HD PHE 6 -18.010 -3.745 -0.784 40 HE1 PHE 6 1HE PHE 6 -17.138 -4.366 4.030 41 HE2 PHE 6 2HE PHE 6 -16.485 -5.573 0.014 42 HZ PHE 6 HZ PHE 6 -16.068 -5.862 2.411 43 H LEU 7 HN LEU 7 -18.819 -1.317 -2.334 44 HA LEU 7 HA LEU 7 -16.396 -2.700 -2.612 45 HB2 LEU 7 2HB LEU 7 -18.652 -1.880 -4.264 46 HB3 LEU 7 3HB LEU 7 -17.136 -1.832 -5.142 47 HG LEU 7 HG LEU 7 -18.303 -3.972 -5.414 48 HD11 LEU 7 1HD1 LEU 7 -16.424 -5.328 -5.286 49 HD12 LEU 7 2HD1 LEU 7 -15.729 -3.689 -5.327 50 HD13 LEU 7 3HD1 LEU 7 -15.846 -4.568 -3.783 51 HD21 LEU 7 1HD2 LEU 7 -19.267 -5.084 -3.752 52 HD22 LEU 7 2HD2 LEU 7 -17.755 -5.119 -2.814 53 HD23 LEU 7 3HD2 LEU 7 -18.854 -3.725 -2.680 54 H GLY 8 HN GLY 8 -17.393 0.672 -3.491 55 HA2 GLY 8 1HA GLY 8 -14.889 1.427 -4.545 56 HA3 GLY 8 2HA GLY 8 -16.168 2.490 -3.993 57 H PHE 9 HN PHE 9 -15.849 0.675 -1.320 58 HA PHE 9 HA PHE 9 -14.214 2.631 -0.029 59 HB2 PHE 9 2HB PHE 9 -16.313 0.859 0.596 60 HB3 PHE 9 3HB PHE 9 -14.939 0.072 1.349 61 HD1 PHE 9 1HD PHE 9 -13.939 0.961 3.324 62 HD2 PHE 9 2HD PHE 9 -16.960 3.155 1.307 63 HE1 PHE 9 1HE PHE 9 -14.137 2.501 5.295 64 HE2 PHE 9 2HE PHE 9 -17.158 4.695 3.279 65 HZ PHE 9 HZ PHE 9 -15.744 4.350 5.250 66 H LEU 10 HN LEU 10 -13.844 -0.683 -1.268 67 HA LEU 10 HA LEU 10 -11.625 -1.441 0.221 68 HB2 LEU 10 2HB LEU 10 -12.404 -2.185 -2.602 69 HB3 LEU 10 3HB LEU 10 -11.220 -3.026 -1.621 70 HG LEU 10 HG LEU 10 -14.135 -2.735 -0.852 71 HD11 LEU 10 1HD1 LEU 10 -12.760 -5.069 -2.213 72 HD12 LEU 10 2HD1 LEU 10 -14.431 -5.049 -1.599 73 HD13 LEU 10 3HD1 LEU 10 -13.964 -3.980 -2.944 74 HD21 LEU 10 1HD2 LEU 10 -12.707 -5.004 0.251 75 HD22 LEU 10 2HD2 LEU 10 -11.911 -3.467 0.671 76 HD23 LEU 10 3HD2 LEU 10 -13.627 -3.720 1.073 77 H GLY 11 HN GLY 11 -12.015 0.916 -2.351 78 HA2 GLY 11 1HA GLY 11 -9.526 1.001 -3.514 79 HA3 GLY 11 2HA GLY 11 -10.562 2.386 -3.237 80 H ALA 12 HN ALA 12 -10.609 2.320 -0.330 81 HA ALA 12 HA ALA 12 -8.089 3.599 0.133 82 HB1 ALA 12 1HB ALA 12 -10.737 3.340 1.441 83 HB2 ALA 12 2HB ALA 12 -9.362 3.501 2.558 84 HB3 ALA 12 3HB ALA 12 -9.653 4.746 1.320 85 H ALA 13 HN ALA 13 -9.506 0.412 0.579 86 HA ALA 13 HA ALA 13 -7.638 -0.352 2.628 87 HB1 ALA 13 1HB ALA 13 -8.746 -2.503 2.477 88 HB2 ALA 13 2HB ALA 13 -9.987 -1.228 2.428 89 HB3 ALA 13 3HB ALA 13 -9.501 -2.056 0.928 90 H GLY 14 HN GLY 14 -7.488 0.192 -0.726 91 HA2 GLY 14 1HA GLY 14 -5.660 -1.987 -1.322 92 HA3 GLY 14 2HA GLY 14 -6.225 -0.731 -2.407 93 H SER 15 HN SER 15 -5.270 0.607 0.614 94 HA SER 15 HA SER 15 -2.957 1.719 -0.652 95 HB2 SER 15 2HB SER 15 -4.628 2.309 1.752 96 HB3 SER 15 3HB SER 15 -2.938 2.749 1.890 97 HG SER 15 HG SER 15 -4.109 4.513 1.006 98 H LYS 16 HN LYS 16 -3.644 -1.094 1.078 99 HA LYS 16 HA LYS 16 -1.382 -1.151 2.802 100 HB2 LYS 16 2HB LYS 16 -3.696 -2.486 2.785 101 HB3 LYS 16 3HB LYS 16 -2.743 -3.651 1.888 102 HG2 LYS 16 2HG LYS 16 -1.002 -2.990 3.944 103 HG3 LYS 16 3HG LYS 16 -2.552 -2.853 4.749 104 HD2 LYS 16 2HD LYS 16 -2.359 -5.115 5.039 105 HD3 LYS 16 3HD LYS 16 -2.926 -5.208 3.382 106 HE2 LYS 16 2HE LYS 16 -0.947 -6.545 3.415 107 HE3 LYS 16 3HE LYS 16 -0.450 -5.044 2.659 108 HZ1 LYS 16 1HZ LYS 16 -0.188 -5.075 5.548 109 HZ2 LYS 16 2HZ LYS 16 0.797 -6.119 4.779 110 H LYS 17 HN LYS 17 -2.192 -2.685 -0.386 111 HA LYS 17 HA LYS 17 0.689 -3.143 -0.714 112 HB2 LYS 17 2HB LYS 17 -0.845 -4.594 -2.635 113 HB3 LYS 17 3HB LYS 17 0.182 -5.208 -1.355 114 HG2 LYS 17 2HG LYS 17 -1.741 -4.929 0.267 115 HG3 LYS 17 3HG LYS 17 -2.758 -4.423 -1.069 116 HD2 LYS 17 2HD LYS 17 -1.274 -7.008 -1.430 117 HD3 LYS 17 3HD LYS 17 -2.567 -7.013 -0.245 118 HE2 LYS 17 2HE LYS 17 -4.233 -6.549 -1.845 119 HE3 LYS 17 3HE LYS 17 -3.111 -5.780 -2.951 120 HZ1 LYS 17 1HZ LYS 17 -3.929 -8.193 -3.426 121 HZ2 LYS 17 2HZ LYS 17 -2.369 -7.830 -3.720 122 H21 ACA 18 1HA ACA 18 4.376 0.798 -4.213 123 H22 ACA 18 2HA ACA 18 5.280 -0.477 -3.422 124 H31 ACA 18 2HB ACA 18 4.134 -2.040 -4.598 125 H32 ACA 18 3HB ACA 18 4.744 -1.375 -6.099 126 H41 ACA 18 2HG ACA 18 2.365 -1.245 -6.291 127 H42 ACA 18 3HG ACA 18 2.878 0.394 -5.941 128 H51 ACA 18 2HD ACA 18 1.542 0.414 -4.112 129 H52 ACA 18 3HD ACA 18 2.497 -0.875 -3.406 130 H61 ACA 18 2HE ACA 18 -0.120 -0.887 -4.512 131 H62 ACA 18 3HE ACA 18 0.830 -2.398 -5.722 132 HN61 ACA 18 HN ACA 18 1.229 -3.187 -3.245 133 H LYS 19 HN LYS 19 5.423 1.939 -6.141 134 HA LYS 19 HA LYS 19 6.634 -0.363 -7.487 135 HB2 LYS 19 2HB LYS 19 4.241 0.899 -7.954 136 HB3 LYS 19 3HB LYS 19 5.286 1.697 -9.112 137 HG2 LYS 19 2HG LYS 19 4.897 -0.118 -10.441 138 HG3 LYS 19 3HG LYS 19 6.069 -0.937 -9.427 139 HD2 LYS 19 2HD LYS 19 4.478 -2.256 -8.454 140 HD3 LYS 19 3HD LYS 19 3.384 -0.911 -8.206 141 HE2 LYS 19 2HE LYS 19 2.148 -2.086 -9.780 142 HE3 LYS 19 3HE LYS 19 3.091 -1.091 -10.871 143 HZ1 LYS 19 1HZ LYS 19 3.318 -3.942 -10.367 144 HZ2 LYS 19 2HZ LYS 19 3.632 -3.112 -11.733 145 H ASN 20 HN ASN 20 6.509 3.265 -7.744 146 HA ASN 20 HA ASN 20 9.113 3.140 -8.975 147 HB2 ASN 20 2HB ASN 20 7.145 4.623 -9.803 148 HB3 ASN 20 3HB ASN 20 7.432 5.627 -8.395 149 HD21 ASN 20 1HD2 ASN 20 9.309 3.997 -10.952 150 HD22 ASN 20 2HD2 ASN 20 10.361 5.320 -11.328 151 H GLU 21 HN GLU 21 10.947 4.367 -8.064 152 HA GLU 21 HA GLU 21 11.112 4.221 -5.307 153 HB2 GLU 21 2HB GLU 21 13.282 4.323 -5.914 154 HB3 GLU 21 3HB GLU 21 12.837 4.844 -7.527 155 HG2 GLU 21 2HG GLU 21 12.654 7.214 -6.675 156 HG3 GLU 21 3HG GLU 21 13.186 6.666 -5.098 157 HE2 GLU 21 2HE GLU 21 16.514 6.523 -6.055 158 H GLN 22 HN GLN 22 9.568 6.533 -7.315 159 HA GLN 22 HA GLN 22 10.103 8.894 -6.037 160 HB2 GLN 22 2HB GLN 22 8.063 9.719 -7.057 161 HB3 GLN 22 3HB GLN 22 8.817 8.603 -8.177 162 HG2 GLN 22 2HG GLN 22 6.799 7.551 -8.259 163 HG3 GLN 22 3HG GLN 22 7.199 6.904 -6.681 164 HE21 GLN 22 1HE2 GLN 22 5.020 8.681 -8.457 165 HE22 GLN 22 2HE2 GLN 22 4.115 9.438 -7.189 166 H GLU 23 HN GLU 23 8.158 6.121 -5.026 167 HA GLU 23 HA GLU 23 6.584 7.480 -3.163 168 HB2 GLU 23 2HB GLU 23 6.317 5.092 -4.173 169 HB3 GLU 23 3HB GLU 23 7.429 4.573 -2.923 170 HG2 GLU 23 2HG GLU 23 5.926 5.038 -1.183 171 HG3 GLU 23 3HG GLU 23 5.087 6.280 -2.090 172 HE2 GLU 23 2HE GLU 23 2.934 5.136 -1.952 173 H LEU 24 HN LEU 24 9.924 6.366 -3.176 174 HA LEU 24 HA LEU 24 10.468 5.918 -0.560 175 HB2 LEU 24 2HB LEU 24 12.089 7.366 -2.652 176 HB3 LEU 24 3HB LEU 24 12.727 6.900 -1.087 177 HG LEU 24 HG LEU 24 12.336 5.313 -3.500 178 HD11 LEU 24 1HD1 LEU 24 13.872 4.837 -0.931 179 HD12 LEU 24 2HD1 LEU 24 14.029 3.889 -2.429 180 HD13 LEU 24 3HD1 LEU 24 14.491 5.609 -2.412 181 HD21 LEU 24 1HD2 LEU 24 11.632 3.233 -2.396 182 HD22 LEU 24 2HD2 LEU 24 11.317 4.140 -0.897 183 HD23 LEU 24 3HD2 LEU 24 10.359 4.476 -2.359 184 H LEU 25 HN LEU 25 10.307 9.142 -2.211 185 HA LEU 25 HA LEU 25 10.939 10.689 -0.031 186 HB2 LEU 25 2HB LEU 25 10.895 11.846 -1.987 187 HB3 LEU 25 3HB LEU 25 9.437 11.065 -2.563 188 HG LEU 25 HG LEU 25 9.251 12.956 -0.240 189 HD11 LEU 25 1HD1 LEU 25 10.119 13.674 -2.949 190 HD12 LEU 25 2HD1 LEU 25 8.692 14.576 -2.382 191 HD13 LEU 25 3HD1 LEU 25 10.195 14.596 -1.429 192 HD21 LEU 25 1HD2 LEU 25 7.271 12.877 -2.455 193 HD22 LEU 25 2HD2 LEU 25 7.387 11.434 -1.419 194 HD23 LEU 25 3HD2 LEU 25 7.033 13.022 -0.697 195 H GLU 26 HN GLU 26 7.889 9.038 -0.883 196 HA GLU 26 HA GLU 26 6.442 10.394 1.147 197 HB2 GLU 26 2HB GLU 26 5.899 8.276 -0.889 198 HB3 GLU 26 3HB GLU 26 4.890 8.223 0.543 199 HG2 GLU 26 2HG GLU 26 4.122 10.500 0.201 200 HG3 GLU 26 3HG GLU 26 5.333 10.796 -1.030 201 HE2 GLU 26 2HE GLU 26 3.282 10.616 -3.175 202 H LEU 27 HN LEU 27 8.526 7.581 0.933 203 HA LEU 27 HA LEU 27 7.493 6.058 3.021 204 HB2 LEU 27 2HB LEU 27 9.480 5.794 1.203 205 HB3 LEU 27 3HB LEU 27 10.425 6.122 2.642 206 HG LEU 27 HG LEU 27 10.231 3.749 2.352 207 HD11 LEU 27 1HD1 LEU 27 9.094 5.105 4.678 208 HD12 LEU 27 2HD1 LEU 27 8.539 3.421 4.511 209 HD13 LEU 27 3HD1 LEU 27 10.282 3.782 4.582 210 HD21 LEU 27 1HD2 LEU 27 7.312 4.331 1.994 211 HD22 LEU 27 2HD2 LEU 27 8.398 3.299 1.035 212 HD23 LEU 27 3HD2 LEU 27 7.826 2.750 2.628 213 H ASP 28 HN ASP 28 9.970 8.702 2.998 214 HA ASP 28 HA ASP 28 10.222 8.554 5.816 215 HB2 ASP 28 2HB ASP 28 11.504 9.919 3.580 216 HB3 ASP 28 3HB ASP 28 11.172 11.075 4.854 217 HD2 ASP 28 2HD ASP 28 12.014 9.395 7.189 218 H LYS 29 HN LYS 29 8.065 10.020 3.514 219 HA LYS 29 HA LYS 29 7.410 12.342 5.023 220 HB2 LYS 29 2HB LYS 29 7.168 11.927 2.490 221 HB3 LYS 29 3HB LYS 29 5.701 11.057 2.890 222 HG2 LYS 29 2HG LYS 29 5.930 13.692 4.245 223 HG3 LYS 29 3HG LYS 29 5.877 13.803 2.497 224 HD2 LYS 29 2HD LYS 29 3.877 11.963 2.930 225 HD3 LYS 29 3HD LYS 29 3.763 12.899 4.407 226 HE2 LYS 29 2HE LYS 29 2.350 14.123 2.993 227 HE3 LYS 29 3HE LYS 29 3.856 14.995 2.791 228 HZ1 LYS 29 1HZ LYS 29 3.410 12.748 0.978 229 HZ2 LYS 29 2HZ LYS 29 2.490 14.068 0.727 230 H TRP 30 HN TRP 30 6.130 8.997 4.708 231 HA TRP 30 HA TRP 30 3.977 9.597 6.540 232 HB2 TRP 30 2HB TRP 30 3.139 7.494 6.036 233 HB3 TRP 30 3HB TRP 30 3.816 8.066 4.524 234 HD1 TRP 30 1HD TRP 30 5.553 6.454 3.374 235 HE1 TRP 30 1HE TRP 30 6.825 4.216 3.957 236 HE3 TRP 30 3HE TRP 30 4.164 6.322 8.264 237 HZ2 TRP 30 2HZ TRP 30 7.101 2.676 6.344 238 HZ3 TRP 30 3HZ TRP 30 4.978 4.417 9.651 239 HH2 TRP 30 2HH TRP 30 6.397 2.636 8.765 240 H ALA 31 HN ALA 31 7.079 7.741 6.393 241 HA ALA 31 HA ALA 31 6.960 6.581 8.892 242 HB1 ALA 31 1HB ALA 31 8.606 6.076 7.095 243 HB2 ALA 31 2HB ALA 31 9.397 7.641 7.404 244 HB3 ALA 31 3HB ALA 31 9.391 6.382 8.663 245 H SER 32 HN SER 32 7.430 9.936 7.934 246 HA SER 32 HA SER 32 8.847 10.865 10.076 247 HB2 SER 32 2HB SER 32 6.821 12.050 8.191 248 HB3 SER 32 3HB SER 32 7.278 12.998 9.592 249 HG SER 32 HG SER 32 9.465 11.860 8.251 250 H LEU 33 HN LEU 33 5.417 9.938 9.773 251 HA LEU 33 HA LEU 33 4.287 11.208 11.895 252 HB2 LEU 33 2HB LEU 33 2.555 9.902 11.446 253 HB3 LEU 33 3HB LEU 33 3.525 9.324 10.107 254 HG LEU 33 HG LEU 33 3.386 7.997 12.829 255 HD11 LEU 33 1HD1 LEU 33 1.226 7.856 11.749 256 HD12 LEU 33 2HD1 LEU 33 1.980 7.287 10.240 257 HD13 LEU 33 3HD1 LEU 33 2.029 6.269 11.699 258 HD21 LEU 33 1HD2 LEU 33 5.135 6.792 12.201 259 HD22 LEU 33 2HD2 LEU 33 4.250 6.241 10.758 260 HD23 LEU 33 3HD2 LEU 33 5.242 7.718 10.685 261 H TRP 34 HN TRP 34 6.788 8.738 11.894 262 HA TRP 34 HA TRP 34 6.369 7.826 14.536 263 HB2 TRP 34 2HB TRP 34 8.806 7.777 12.749 264 HB3 TRP 34 3HB TRP 34 8.700 6.972 14.302 265 HD1 TRP 34 1HD TRP 34 8.369 6.097 10.809 266 HE1 TRP 34 1HE TRP 34 6.930 3.936 10.338 267 HE3 TRP 34 3HE TRP 34 6.180 5.914 15.396 268 HZ2 TRP 34 2HZ TRP 34 5.080 2.426 11.900 269 HZ3 TRP 34 3HZ TRP 34 4.569 4.064 15.840 270 HH2 TRP 34 2HH TRP 34 4.009 2.358 14.182 271 H ASN 35 HN ASN 35 8.949 9.979 13.123 272 HA ASN 35 HA ASN 35 9.742 10.884 15.635 273 HB2 ASN 35 2HB ASN 35 10.102 12.198 12.889 274 HB3 ASN 35 3HB ASN 35 11.023 12.605 14.324 275 HD21 ASN 35 1HD2 ASN 35 10.584 10.435 11.706 276 HD22 ASN 35 2HD2 ASN 35 11.913 9.365 12.008 Start of MODEL 7 1 H1 GLY 1 HN GLY 1 -27.178 -1.510 -5.383 2 HA2 GLY 1 1HA GLY 1 -26.987 1.113 -5.026 3 HA3 GLY 1 2HA GLY 1 -27.832 0.081 -3.889 4 H ILE 2 HN ILE 2 -26.622 -0.793 -1.995 5 HA ILE 2 HA ILE 2 -24.781 1.215 -1.035 6 HB ILE 2 HB ILE 2 -26.813 -0.123 0.125 7 HG12 ILE 2 2HG1 ILE 2 -24.363 1.176 1.312 8 HG13 ILE 2 3HG1 ILE 2 -25.957 1.862 1.071 9 HG21 ILE 2 1HG2 ILE 2 -24.457 -1.488 1.382 10 HG22 ILE 2 2HG2 ILE 2 -26.185 -1.909 1.439 11 HG23 ILE 2 3HG2 ILE 2 -25.244 -2.209 -0.043 12 HD11 ILE 2 1HD1 ILE 2 -25.520 1.244 3.462 13 HD12 ILE 2 2HD1 ILE 2 -26.915 0.374 2.779 14 HD13 ILE 2 3HD1 ILE 2 -25.352 -0.457 2.964 15 H GLY 3 HN GLY 3 -24.753 -2.013 -2.424 16 HA2 GLY 3 1HA GLY 3 -22.358 -2.995 -1.363 17 HA3 GLY 3 2HA GLY 3 -23.082 -3.437 -2.897 18 H ALA 4 HN ALA 4 -23.055 -0.646 -3.981 19 HA ALA 4 HA ALA 4 -20.468 -0.735 -5.114 20 HB1 ALA 4 1HB ALA 4 -21.432 0.634 -6.631 21 HB2 ALA 4 2HB ALA 4 -22.945 0.368 -5.733 22 HB3 ALA 4 3HB ALA 4 -21.940 1.794 -5.381 23 H LEU 5 HN LEU 5 -21.952 0.922 -2.347 24 HA LEU 5 HA LEU 5 -19.913 2.880 -2.095 25 HB2 LEU 5 2HB LEU 5 -22.422 2.515 -1.088 26 HB3 LEU 5 3HB LEU 5 -21.437 2.097 0.300 27 HG LEU 5 HG LEU 5 -20.207 4.361 -0.245 28 HD11 LEU 5 1HD1 LEU 5 -22.849 5.354 -1.139 29 HD12 LEU 5 2HD1 LEU 5 -21.206 5.885 -1.571 30 HD13 LEU 5 3HD1 LEU 5 -21.908 4.443 -2.344 31 HD21 LEU 5 1HD2 LEU 5 -21.090 4.772 1.745 32 HD22 LEU 5 2HD2 LEU 5 -22.593 5.294 0.949 33 HD23 LEU 5 3HD2 LEU 5 -22.394 3.598 1.450 34 H PHE 6 HN PHE 6 -20.432 -0.456 -0.924 35 HA PHE 6 HA PHE 6 -18.297 -0.361 0.941 36 HB2 PHE 6 2HB PHE 6 -20.257 -1.949 0.993 37 HB3 PHE 6 3HB PHE 6 -19.769 -2.616 -0.551 38 HD1 PHE 6 1HD PHE 6 -19.182 -2.621 3.029 39 HD2 PHE 6 2HD PHE 6 -17.746 -4.028 -0.708 40 HE1 PHE 6 1HE PHE 6 -17.785 -4.339 4.213 41 HE2 PHE 6 2HE PHE 6 -16.348 -5.744 0.475 42 HZ PHE 6 HZ PHE 6 -16.384 -5.879 2.921 43 H LEU 7 HN LEU 7 -18.682 -1.520 -2.461 44 HA LEU 7 HA LEU 7 -16.146 -2.676 -2.659 45 HB2 LEU 7 2HB LEU 7 -18.383 -2.006 -4.389 46 HB3 LEU 7 3HB LEU 7 -16.847 -1.769 -5.197 47 HG LEU 7 HG LEU 7 -17.700 -3.988 -5.644 48 HD11 LEU 7 1HD1 LEU 7 -15.541 -4.501 -5.773 49 HD12 LEU 7 2HD1 LEU 7 -15.145 -3.479 -4.370 50 HD13 LEU 7 3HD1 LEU 7 -15.673 -5.161 -4.125 51 HD21 LEU 7 1HD2 LEU 7 -17.381 -5.146 -2.987 52 HD22 LEU 7 2HD2 LEU 7 -18.668 -3.918 -3.046 53 HD23 LEU 7 3HD2 LEU 7 -18.711 -5.306 -4.160 54 H GLY 8 HN GLY 8 -17.357 0.663 -3.294 55 HA2 GLY 8 1HA GLY 8 -14.926 1.666 -4.323 56 HA3 GLY 8 2HA GLY 8 -16.262 2.592 -3.668 57 H PHE 9 HN PHE 9 -15.907 0.721 -1.110 58 HA PHE 9 HA PHE 9 -14.288 2.617 0.271 59 HB2 PHE 9 2HB PHE 9 -16.351 0.768 0.802 60 HB3 PHE 9 3HB PHE 9 -14.960 -0.017 1.523 61 HD1 PHE 9 1HD PHE 9 -17.147 2.925 1.664 62 HD2 PHE 9 2HD PHE 9 -13.901 0.893 3.490 63 HE1 PHE 9 1HE PHE 9 -17.390 4.369 3.702 64 HE2 PHE 9 2HE PHE 9 -14.144 2.336 5.529 65 HZ PHE 9 HZ PHE 9 -15.886 4.057 5.610 66 H LEU 10 HN LEU 10 -13.938 -0.770 -0.887 67 HA LEU 10 HA LEU 10 -11.576 -1.335 0.490 68 HB2 LEU 10 2HB LEU 10 -12.291 -2.468 -2.199 69 HB3 LEU 10 3HB LEU 10 -11.416 -3.227 -0.883 70 HG LEU 10 HG LEU 10 -14.379 -2.681 -1.080 71 HD11 LEU 10 1HD1 LEU 10 -14.457 -4.782 -1.779 72 HD12 LEU 10 2HD1 LEU 10 -12.696 -4.948 -1.580 73 HD13 LEU 10 3HD1 LEU 10 -13.783 -5.310 -0.218 74 HD21 LEU 10 1HD2 LEU 10 -14.515 -3.695 1.232 75 HD22 LEU 10 2HD2 LEU 10 -12.766 -3.399 1.374 76 HD23 LEU 10 3HD2 LEU 10 -13.884 -2.034 1.145 77 H GLY 11 HN GLY 11 -12.278 0.574 -2.405 78 HA2 GLY 11 1HA GLY 11 -9.862 0.569 -3.719 79 HA3 GLY 11 2HA GLY 11 -10.964 1.929 -3.627 80 H ALA 12 HN ALA 12 -10.793 2.178 -0.651 81 HA ALA 12 HA ALA 12 -8.363 3.729 -0.608 82 HB1 ALA 12 1HB ALA 12 -10.804 3.398 1.135 83 HB2 ALA 12 2HB ALA 12 -9.348 4.187 1.788 84 HB3 ALA 12 3HB ALA 12 -10.161 4.864 0.356 85 H ALA 13 HN ALA 13 -9.493 0.561 0.354 86 HA ALA 13 HA ALA 13 -7.467 0.248 2.385 87 HB1 ALA 13 1HB ALA 13 -9.709 -0.788 2.592 88 HB2 ALA 13 2HB ALA 13 -9.401 -1.735 1.117 89 HB3 ALA 13 3HB ALA 13 -8.419 -2.015 2.574 90 H GLY 14 HN GLY 14 -7.246 0.614 -0.848 91 HA2 GLY 14 1HA GLY 14 -5.872 -1.676 -1.751 92 HA3 GLY 14 2HA GLY 14 -5.823 -0.069 -2.451 93 H SER 15 HN SER 15 -4.951 1.005 0.350 94 HA SER 15 HA SER 15 -2.154 0.344 -0.077 95 HB2 SER 15 2HB SER 15 -1.720 2.457 1.223 96 HB3 SER 15 3HB SER 15 -2.608 2.715 -0.266 97 HG SER 15 HG SER 15 -3.398 3.780 1.826 98 H LYS 16 HN LYS 16 -4.858 0.139 2.177 99 HA LYS 16 HA LYS 16 -3.207 -0.356 4.469 100 HB2 LYS 16 2HB LYS 16 -6.189 -0.537 3.969 101 HB3 LYS 16 3HB LYS 16 -5.447 -0.926 5.508 102 HG2 LYS 16 2HG LYS 16 -4.629 1.689 4.296 103 HG3 LYS 16 3HG LYS 16 -6.296 1.586 4.827 104 HD2 LYS 16 2HD LYS 16 -4.156 0.572 6.698 105 HD3 LYS 16 3HD LYS 16 -4.319 2.306 6.506 106 HE2 LYS 16 2HE LYS 16 -6.549 0.384 7.328 107 HE3 LYS 16 3HE LYS 16 -5.709 1.495 8.393 108 HZ1 LYS 16 1HZ LYS 16 -7.588 2.695 7.791 109 HZ2 LYS 16 2HZ LYS 16 -6.537 3.261 6.684 110 H LYS 17 HN LYS 17 -4.581 -2.177 1.794 111 HA LYS 17 HA LYS 17 -4.734 -4.683 2.994 112 HB2 LYS 17 2HB LYS 17 -5.802 -4.474 0.936 113 HB3 LYS 17 3HB LYS 17 -4.435 -3.683 0.177 114 HG2 LYS 17 2HG LYS 17 -3.198 -5.718 -0.010 115 HG3 LYS 17 3HG LYS 17 -4.180 -6.535 1.189 116 HD2 LYS 17 2HD LYS 17 -5.628 -7.258 -0.401 117 HD3 LYS 17 3HD LYS 17 -5.901 -5.622 -0.965 118 HE2 LYS 17 2HE LYS 17 -4.396 -5.820 -2.703 119 HE3 LYS 17 3HE LYS 17 -3.268 -6.774 -1.760 120 HZ1 LYS 17 1HZ LYS 17 -4.261 -8.156 -3.457 121 HZ2 LYS 17 2HZ LYS 17 -4.825 -8.680 -2.021 122 H21 ACA 18 1HA ACA 18 1.222 -7.680 6.492 123 H22 ACA 18 2HA ACA 18 1.002 -6.010 6.978 124 H31 ACA 18 2HB ACA 18 -1.468 -7.385 7.523 125 H32 ACA 18 3HB ACA 18 -0.964 -7.849 5.911 126 H41 ACA 18 2HG ACA 18 -1.186 -4.969 6.908 127 H42 ACA 18 3HG ACA 18 -2.383 -5.780 5.918 128 H51 ACA 18 2HD ACA 18 0.505 -5.629 4.994 129 H52 ACA 18 3HD ACA 18 -0.563 -4.260 4.762 130 H61 ACA 18 2HE ACA 18 -0.454 -5.702 2.851 131 H62 ACA 18 3HE ACA 18 -1.144 -7.540 3.745 132 HN61 ACA 18 HN ACA 18 -3.189 -5.876 3.956 133 H LYS 19 HN LYS 19 -0.972 -6.546 9.244 134 HA LYS 19 HA LYS 19 1.695 -5.897 10.258 135 HB2 LYS 19 2HB LYS 19 -0.944 -4.445 10.250 136 HB3 LYS 19 3HB LYS 19 0.294 -4.029 11.418 137 HG2 LYS 19 2HG LYS 19 1.732 -3.169 9.809 138 HG3 LYS 19 3HG LYS 19 1.215 -4.302 8.577 139 HD2 LYS 19 2HD LYS 19 0.232 -2.361 7.754 140 HD3 LYS 19 3HD LYS 19 -1.089 -2.959 8.738 141 HE2 LYS 19 2HE LYS 19 -0.582 -1.442 10.540 142 HE3 LYS 19 3HE LYS 19 1.000 -1.064 9.886 143 HZ1 LYS 19 1HZ LYS 19 -0.104 0.016 7.993 144 HZ2 LYS 19 2HZ LYS 19 -1.576 -0.342 8.592 145 H ASN 20 HN ASN 20 -1.678 -6.462 11.503 146 HA ASN 20 HA ASN 20 -0.620 -7.141 14.043 147 HB2 ASN 20 2HB ASN 20 -3.327 -6.881 12.772 148 HB3 ASN 20 3HB ASN 20 -3.241 -7.996 14.121 149 HD21 ASN 20 1HD2 ASN 20 -2.247 -7.225 16.122 150 HD22 ASN 20 2HD2 ASN 20 -2.467 -5.576 16.606 151 H GLU 21 HN GLU 21 -0.892 -9.317 15.063 152 HA GLU 21 HA GLU 21 -0.129 -11.370 13.375 153 HB2 GLU 21 2HB GLU 21 0.456 -12.193 15.391 154 HB3 GLU 21 3HB GLU 21 -0.476 -10.942 16.191 155 HG2 GLU 21 2HG GLU 21 -2.548 -12.352 15.932 156 HG3 GLU 21 3HG GLU 21 -1.578 -13.612 15.194 157 HE2 GLU 21 2HE GLU 21 -2.970 -13.724 17.788 158 H GLN 22 HN GLN 22 -3.216 -9.970 13.900 159 HA GLN 22 HA GLN 22 -4.880 -12.144 13.847 160 HB2 GLN 22 2HB GLN 22 -6.560 -10.539 12.859 161 HB3 GLN 22 3HB GLN 22 -5.748 -9.932 14.288 162 HG2 GLN 22 2HG GLN 22 -5.232 -8.090 13.059 163 HG3 GLN 22 3HG GLN 22 -4.052 -9.091 12.235 164 HE21 GLN 22 1HE2 GLN 22 -4.247 -8.023 10.307 165 HE22 GLN 22 2HE2 GLN 22 -5.624 -8.153 9.264 166 H GLU 23 HN GLU 23 -2.902 -10.698 11.299 167 HA GLU 23 HA GLU 23 -4.332 -11.740 9.138 168 HB2 GLU 23 2HB GLU 23 -2.672 -9.883 8.980 169 HB3 GLU 23 3HB GLU 23 -1.378 -11.006 9.343 170 HG2 GLU 23 2HG GLU 23 -2.088 -12.363 7.298 171 HG3 GLU 23 3HG GLU 23 -3.214 -11.079 6.905 172 HE2 GLU 23 2HE GLU 23 -0.496 -10.130 4.984 173 H LEU 24 HN LEU 24 -2.073 -13.124 11.454 174 HA LEU 24 HA LEU 24 -0.911 -15.155 10.081 175 HB2 LEU 24 2HB LEU 24 -2.025 -15.096 12.885 176 HB3 LEU 24 3HB LEU 24 -1.039 -16.405 12.266 177 HG LEU 24 HG LEU 24 -0.258 -13.784 13.274 178 HD11 LEU 24 1HD1 LEU 24 1.212 -16.370 12.710 179 HD12 LEU 24 2HD1 LEU 24 1.935 -14.953 13.509 180 HD13 LEU 24 3HD1 LEU 24 0.566 -15.802 14.268 181 HD21 LEU 24 1HD2 LEU 24 -0.027 -13.197 10.926 182 HD22 LEU 24 2HD2 LEU 24 1.574 -13.370 11.688 183 HD23 LEU 24 3HD2 LEU 24 0.946 -14.660 10.634 184 H LEU 25 HN LEU 25 -4.182 -15.234 11.662 185 HA LEU 25 HA LEU 25 -4.819 -17.794 10.774 186 HB2 LEU 25 2HB LEU 25 -5.900 -16.344 12.572 187 HB3 LEU 25 3HB LEU 25 -6.783 -15.564 11.275 188 HG LEU 25 HG LEU 25 -7.040 -18.433 11.038 189 HD11 LEU 25 1HD1 LEU 25 -7.632 -17.248 13.754 190 HD12 LEU 25 2HD1 LEU 25 -8.441 -18.711 13.140 191 HD13 LEU 25 3HD1 LEU 25 -6.673 -18.694 13.354 192 HD21 LEU 25 1HD2 LEU 25 -9.449 -17.881 11.150 193 HD22 LEU 25 2HD2 LEU 25 -9.022 -16.206 11.576 194 HD23 LEU 25 3HD2 LEU 25 -8.554 -16.868 9.992 195 H GLU 26 HN GLU 26 -4.742 -14.670 9.140 196 HA GLU 26 HA GLU 26 -6.448 -15.526 7.037 197 HB2 GLU 26 2HB GLU 26 -5.164 -13.068 7.897 198 HB3 GLU 26 3HB GLU 26 -4.858 -13.312 6.188 199 HG2 GLU 26 2HG GLU 26 -7.481 -13.932 6.168 200 HG3 GLU 26 3HG GLU 26 -7.491 -12.942 7.614 201 HE2 GLU 26 2HE GLU 26 -7.846 -11.191 4.317 202 H LEU 27 HN LEU 27 -3.049 -15.798 7.854 203 HA LEU 27 HA LEU 27 -1.950 -15.975 5.305 204 HB2 LEU 27 2HB LEU 27 -0.998 -15.975 7.819 205 HB3 LEU 27 3HB LEU 27 -0.867 -17.687 7.470 206 HG LEU 27 HG LEU 27 1.227 -16.629 6.982 207 HD11 LEU 27 1HD1 LEU 27 1.247 -16.989 4.369 208 HD12 LEU 27 2HD1 LEU 27 1.034 -18.355 5.491 209 HD13 LEU 27 3HD1 LEU 27 -0.379 -17.647 4.674 210 HD21 LEU 27 1HD2 LEU 27 1.036 -14.411 6.584 211 HD22 LEU 27 2HD2 LEU 27 1.076 -14.948 4.887 212 HD23 LEU 27 3HD2 LEU 27 -0.481 -14.587 5.672 213 H ASP 28 HN ASP 28 -3.336 -18.526 7.475 214 HA ASP 28 HA ASP 28 -2.930 -20.506 5.491 215 HB2 ASP 28 2HB ASP 28 -3.339 -20.527 8.215 216 HB3 ASP 28 3HB ASP 28 -4.941 -20.963 7.655 217 HD2 ASP 28 2HD ASP 28 -1.623 -21.989 7.501 218 H LYS 29 HN LYS 29 -5.281 -18.041 6.183 219 HA LYS 29 HA LYS 29 -7.572 -19.401 5.178 220 HB2 LYS 29 2HB LYS 29 -7.461 -17.425 6.823 221 HB3 LYS 29 3HB LYS 29 -7.218 -16.410 5.415 222 HG2 LYS 29 2HG LYS 29 -9.473 -18.377 5.239 223 HG3 LYS 29 3HG LYS 29 -9.685 -17.070 6.386 224 HD2 LYS 29 2HD LYS 29 -9.102 -15.428 4.537 225 HD3 LYS 29 3HD LYS 29 -9.051 -16.771 3.412 226 HE2 LYS 29 2HE LYS 29 -11.502 -17.217 4.565 227 HE3 LYS 29 3HE LYS 29 -11.413 -15.473 4.717 228 HZ1 LYS 29 1HZ LYS 29 -11.256 -17.053 2.218 229 HZ2 LYS 29 2HZ LYS 29 -12.334 -15.890 2.594 230 H TRP 30 HN TRP 30 -5.063 -17.193 3.853 231 HA TRP 30 HA TRP 30 -6.368 -17.185 1.273 232 HB2 TRP 30 2HB TRP 30 -4.830 -15.566 0.647 233 HB3 TRP 30 3HB TRP 30 -5.170 -15.213 2.330 234 HD1 TRP 30 1HD TRP 30 -3.066 -15.070 3.916 235 HE1 TRP 30 1HE TRP 30 -0.471 -15.521 3.758 236 HE3 TRP 30 3HE TRP 30 -3.197 -17.288 -0.659 237 HZ2 TRP 30 2HZ TRP 30 1.198 -16.727 1.783 238 HZ3 TRP 30 3HZ TRP 30 -1.040 -18.074 -1.630 239 HH2 TRP 30 2HH TRP 30 1.106 -17.823 -0.486 240 H ALA 31 HN ALA 31 -3.387 -18.469 2.883 241 HA ALA 31 HA ALA 31 -2.267 -19.678 0.661 242 HB1 ALA 31 1HB ALA 31 -1.230 -19.304 2.929 243 HB2 ALA 31 2HB ALA 31 -2.195 -20.671 3.537 244 HB3 ALA 31 3HB ALA 31 -0.972 -20.938 2.272 245 H SER 32 HN SER 32 -5.187 -20.414 2.406 246 HA SER 32 HA SER 32 -5.305 -23.132 2.130 247 HB2 SER 32 2HB SER 32 -7.034 -22.259 3.416 248 HB3 SER 32 3HB SER 32 -7.315 -20.912 2.329 249 HG SER 32 HG SER 32 -8.084 -23.673 1.919 250 H LEU 33 HN LEU 33 -5.730 -20.523 -0.251 251 HA LEU 33 HA LEU 33 -7.173 -21.748 -2.207 252 HB2 LEU 33 2HB LEU 33 -6.637 -19.946 -3.373 253 HB3 LEU 33 3HB LEU 33 -5.804 -19.416 -1.926 254 HG LEU 33 HG LEU 33 -4.407 -21.013 -4.078 255 HD11 LEU 33 1HD1 LEU 33 -5.005 -18.070 -3.984 256 HD12 LEU 33 2HD1 LEU 33 -3.499 -18.662 -4.725 257 HD13 LEU 33 3HD1 LEU 33 -5.073 -19.203 -5.354 258 HD21 LEU 33 1HD2 LEU 33 -2.832 -21.034 -2.493 259 HD22 LEU 33 2HD2 LEU 33 -2.585 -19.319 -2.904 260 HD23 LEU 33 3HD2 LEU 33 -3.638 -19.765 -1.539 261 H TRP 34 HN TRP 34 -3.868 -22.431 -1.114 262 HA TRP 34 HA TRP 34 -3.011 -23.845 -3.372 263 HB2 TRP 34 2HB TRP 34 -2.215 -24.135 -0.469 264 HB3 TRP 34 3HB TRP 34 -1.359 -24.833 -1.830 265 HD1 TRP 34 1HD TRP 34 -0.948 -22.011 0.344 266 HE1 TRP 34 1HE TRP 34 0.390 -19.980 -0.679 267 HE3 TRP 34 3HE TRP 34 -1.388 -23.483 -4.503 268 HZ2 TRP 34 2HZ TRP 34 1.099 -19.233 -3.341 269 HZ3 TRP 34 3HZ TRP 34 -0.345 -22.046 -6.253 270 HH2 TRP 34 2HH TRP 34 0.865 -19.987 -5.736 271 H ASN 35 HN ASN 35 -4.475 -24.939 -0.225 272 HA ASN 35 HA ASN 35 -5.216 -27.382 -1.632 273 HB2 ASN 35 2HB ASN 35 -5.093 -28.554 0.484 274 HB3 ASN 35 3HB ASN 35 -3.646 -27.570 0.397 275 HD21 ASN 35 1HD2 ASN 35 -3.348 -25.860 1.749 276 HD22 ASN 35 2HD2 ASN 35 -4.366 -25.493 3.102 Start of MODEL 8 1 H1 GLY 1 HN GLY 1 -26.149 -0.037 -4.231 2 HA2 GLY 1 1HA GLY 1 -25.870 2.341 -3.977 3 HA3 GLY 1 2HA GLY 1 -27.049 2.315 -2.680 4 H ILE 2 HN ILE 2 -26.448 0.600 -0.830 5 HA ILE 2 HA ILE 2 -24.116 1.532 0.354 6 HB ILE 2 HB ILE 2 -26.219 0.482 1.367 7 HG12 ILE 2 2HG1 ILE 2 -23.471 -0.243 2.428 8 HG13 ILE 2 3HG1 ILE 2 -24.299 1.283 2.667 9 HG21 ILE 2 1HG2 ILE 2 -24.618 -2.048 0.890 10 HG22 ILE 2 2HG2 ILE 2 -26.092 -1.905 1.877 11 HG23 ILE 2 3HG2 ILE 2 -26.166 -1.622 0.121 12 HD11 ILE 2 1HD1 ILE 2 -24.942 0.224 4.622 13 HD12 ILE 2 2HD1 ILE 2 -26.256 -0.348 3.566 14 HD13 ILE 2 3HD1 ILE 2 -24.856 -1.398 3.895 15 H GLY 3 HN GLY 3 -24.803 -1.450 -1.550 16 HA2 GLY 3 1HA GLY 3 -22.370 -2.745 -1.158 17 HA3 GLY 3 2HA GLY 3 -23.426 -2.920 -2.544 18 H ALA 4 HN ALA 4 -23.342 -0.136 -3.449 19 HA ALA 4 HA ALA 4 -20.990 -0.282 -5.000 20 HB1 ALA 4 1HB ALA 4 -22.421 0.950 -6.227 21 HB2 ALA 4 2HB ALA 4 -23.427 1.318 -4.805 22 HB3 ALA 4 3HB ALA 4 -22.007 2.325 -5.175 23 H LEU 5 HN LEU 5 -21.920 1.376 -1.975 24 HA LEU 5 HA LEU 5 -19.627 3.067 -1.969 25 HB2 LEU 5 2HB LEU 5 -22.060 2.959 -0.653 26 HB3 LEU 5 3HB LEU 5 -20.906 2.554 0.603 27 HG LEU 5 HG LEU 5 -21.402 4.947 0.558 28 HD11 LEU 5 1HD1 LEU 5 -18.998 3.838 0.951 29 HD12 LEU 5 2HD1 LEU 5 -18.592 4.909 -0.411 30 HD13 LEU 5 3HD1 LEU 5 -19.291 5.590 1.077 31 HD21 LEU 5 1HD2 LEU 5 -21.878 5.076 -1.891 32 HD22 LEU 5 2HD2 LEU 5 -20.838 6.384 -1.274 33 HD23 LEU 5 3HD2 LEU 5 -20.123 5.032 -2.185 34 H PHE 6 HN PHE 6 -20.480 -0.178 -0.750 35 HA PHE 6 HA PHE 6 -18.234 -0.418 0.941 36 HB2 PHE 6 2HB PHE 6 -20.410 -1.765 0.956 37 HB3 PHE 6 3HB PHE 6 -19.941 -2.489 -0.570 38 HD1 PHE 6 1HD PHE 6 -18.122 -4.127 -0.663 39 HD2 PHE 6 2HD PHE 6 -19.381 -2.458 3.030 40 HE1 PHE 6 1HE PHE 6 -16.916 -5.949 0.571 41 HE2 PHE 6 2HE PHE 6 -18.175 -4.281 4.264 42 HZ PHE 6 HZ PHE 6 -16.956 -6.005 3.020 43 H LEU 7 HN LEU 7 -18.913 -1.292 -2.492 44 HA LEU 7 HA LEU 7 -16.523 -2.717 -2.875 45 HB2 LEU 7 2HB LEU 7 -18.718 -1.635 -4.521 46 HB3 LEU 7 3HB LEU 7 -17.185 -1.814 -5.351 47 HG LEU 7 HG LEU 7 -18.695 -3.763 -5.602 48 HD11 LEU 7 1HD1 LEU 7 -17.007 -5.341 -5.563 49 HD12 LEU 7 2HD1 LEU 7 -16.093 -3.814 -5.579 50 HD13 LEU 7 3HD1 LEU 7 -16.300 -4.709 -4.056 51 HD21 LEU 7 1HD2 LEU 7 -19.074 -3.451 -2.829 52 HD22 LEU 7 2HD2 LEU 7 -19.760 -4.699 -3.896 53 HD23 LEU 7 3HD2 LEU 7 -18.229 -5.003 -3.042 54 H GLY 8 HN GLY 8 -17.452 0.739 -3.325 55 HA2 GLY 8 1HA GLY 8 -14.980 1.536 -4.459 56 HA3 GLY 8 2HA GLY 8 -16.205 2.567 -3.746 57 H PHE 9 HN PHE 9 -15.863 0.538 -1.261 58 HA PHE 9 HA PHE 9 -14.083 2.297 0.116 59 HB2 PHE 9 2HB PHE 9 -16.255 0.645 0.704 60 HB3 PHE 9 3HB PHE 9 -14.928 -0.358 1.256 61 HD1 PHE 9 1HD PHE 9 -13.429 0.466 3.062 62 HD2 PHE 9 2HD PHE 9 -16.922 2.586 1.919 63 HE1 PHE 9 1HE PHE 9 -13.352 1.754 5.216 64 HE2 PHE 9 2HE PHE 9 -16.846 3.873 4.072 65 HZ PHE 9 HZ PHE 9 -15.062 3.441 5.695 66 H LEU 10 HN LEU 10 -13.960 -0.981 -1.307 67 HA LEU 10 HA LEU 10 -11.644 -1.840 0.000 68 HB2 LEU 10 2HB LEU 10 -12.732 -2.595 -2.716 69 HB3 LEU 10 3HB LEU 10 -11.508 -3.477 -1.825 70 HG LEU 10 HG LEU 10 -14.425 -3.133 -1.109 71 HD11 LEU 10 1HD1 LEU 10 -13.614 -4.874 -2.818 72 HD12 LEU 10 2HD1 LEU 10 -12.904 -5.716 -1.419 73 HD13 LEU 10 3HD1 LEU 10 -14.659 -5.426 -1.486 74 HD21 LEU 10 1HD2 LEU 10 -13.509 -4.847 0.779 75 HD22 LEU 10 2HD2 LEU 10 -12.118 -3.745 0.634 76 HD23 LEU 10 3HD2 LEU 10 -13.728 -3.099 1.030 77 H GLY 11 HN GLY 11 -12.189 0.588 -2.430 78 HA2 GLY 11 1HA GLY 11 -9.751 0.487 -3.820 79 HA3 GLY 11 2HA GLY 11 -10.799 1.879 -3.635 80 H ALA 12 HN ALA 12 -10.701 1.866 -0.647 81 HA ALA 12 HA ALA 12 -8.171 3.251 -0.415 82 HB1 ALA 12 1HB ALA 12 -9.766 4.537 0.612 83 HB2 ALA 12 2HB ALA 12 -10.781 3.137 1.031 84 HB3 ALA 12 3HB ALA 12 -9.343 3.515 2.008 85 H ALA 13 HN ALA 13 -9.347 0.078 -0.020 86 HA ALA 13 HA ALA 13 -7.856 -0.581 2.331 87 HB1 ALA 13 1HB ALA 13 -9.112 -2.338 0.182 88 HB2 ALA 13 2HB ALA 13 -8.567 -2.868 1.791 89 HB3 ALA 13 3HB ALA 13 -9.940 -1.746 1.643 90 H GLY 14 HN GLY 14 -7.001 0.222 -0.847 91 HA2 GLY 14 1HA GLY 14 -4.764 -1.661 -0.990 92 HA3 GLY 14 2HA GLY 14 -5.312 -0.562 -2.240 93 H SER 15 HN SER 15 -5.189 0.838 0.950 94 HA SER 15 HA SER 15 -2.821 2.290 0.112 95 HB2 SER 15 2HB SER 15 -4.794 3.661 0.626 96 HB3 SER 15 3HB SER 15 -4.949 2.914 2.204 97 HG SER 15 HG SER 15 -3.741 5.122 1.857 98 H LYS 16 HN LYS 16 -3.190 -0.510 1.533 99 HA LYS 16 HA LYS 16 -2.125 -0.149 4.130 100 HB2 LYS 16 2HB LYS 16 -2.248 -2.606 2.355 101 HB3 LYS 16 3HB LYS 16 -1.838 -2.607 4.059 102 HG2 LYS 16 2HG LYS 16 -4.390 -1.214 3.305 103 HG3 LYS 16 3HG LYS 16 -4.379 -2.960 3.142 104 HD2 LYS 16 2HD LYS 16 -3.203 -1.927 5.685 105 HD3 LYS 16 3HD LYS 16 -4.919 -1.627 5.491 106 HE2 LYS 16 2HE LYS 16 -3.870 -4.392 4.869 107 HE3 LYS 16 3HE LYS 16 -4.024 -3.921 6.549 108 HZ1 LYS 16 1HZ LYS 16 -6.304 -3.815 6.377 109 HZ2 LYS 16 2HZ LYS 16 -6.317 -3.393 4.804 110 H LYS 17 HN LYS 17 -0.766 -0.585 0.860 111 HA LYS 17 HA LYS 17 1.820 -1.269 1.598 112 HB2 LYS 17 2HB LYS 17 0.444 -0.225 -0.797 113 HB3 LYS 17 3HB LYS 17 2.147 0.174 -0.708 114 HG2 LYS 17 2HG LYS 17 2.708 -2.228 -0.345 115 HG3 LYS 17 3HG LYS 17 1.006 -2.642 -0.381 116 HD2 LYS 17 2HD LYS 17 1.534 -1.105 -2.748 117 HD3 LYS 17 3HD LYS 17 2.825 -2.281 -2.609 118 HE2 LYS 17 2HE LYS 17 -0.032 -3.186 -2.181 119 HE3 LYS 17 3HE LYS 17 0.538 -2.924 -3.816 120 HZ1 LYS 17 1HZ LYS 17 2.439 -4.445 -3.240 121 HZ2 LYS 17 2HZ LYS 17 1.702 -4.796 -1.830 122 H21 ACA 18 1HA ACA 18 6.200 4.828 0.068 123 H22 ACA 18 2HA ACA 18 6.904 4.324 1.593 124 H31 ACA 18 2HB ACA 18 6.665 2.093 1.116 125 H32 ACA 18 3HB ACA 18 7.194 2.290 -0.544 126 H41 ACA 18 2HG ACA 18 4.817 1.570 -0.434 127 H42 ACA 18 3HG ACA 18 4.971 3.137 -1.202 128 H51 ACA 18 2HD ACA 18 3.183 3.469 0.306 129 H52 ACA 18 3HD ACA 18 4.550 4.140 1.173 130 H61 ACA 18 2HE ACA 18 4.890 1.957 2.238 131 H62 ACA 18 3HE ACA 18 3.145 2.879 3.109 132 HN61 ACA 18 HN ACA 18 3.720 0.430 0.904 133 H LYS 19 HN LYS 19 7.709 5.361 -1.763 134 HA LYS 19 HA LYS 19 9.276 2.907 -1.724 135 HB2 LYS 19 2HB LYS 19 7.455 4.219 -3.594 136 HB3 LYS 19 3HB LYS 19 8.947 3.725 -4.368 137 HG2 LYS 19 2HG LYS 19 8.584 1.455 -3.956 138 HG3 LYS 19 3HG LYS 19 7.671 1.751 -2.490 139 HD2 LYS 19 2HD LYS 19 6.150 0.935 -4.230 140 HD3 LYS 19 3HD LYS 19 5.752 2.600 -3.857 141 HE2 LYS 19 2HE LYS 19 5.767 2.276 -6.298 142 HE3 LYS 19 3HE LYS 19 7.058 3.370 -5.840 143 HZ1 LYS 19 1HZ LYS 19 7.375 1.075 -7.290 144 HZ2 LYS 19 2HZ LYS 19 8.585 1.908 -6.587 145 H ASN 20 HN ASN 20 9.444 6.250 -3.143 146 HA ASN 20 HA ASN 20 12.328 5.884 -3.190 147 HB2 ASN 20 2HB ASN 20 10.470 6.978 -5.075 148 HB3 ASN 20 3HB ASN 20 11.384 8.344 -4.469 149 HD21 ASN 20 1HD2 ASN 20 12.796 8.810 -5.990 150 HD22 ASN 20 2HD2 ASN 20 13.933 7.724 -6.718 151 H GLU 21 HN GLU 21 13.681 7.640 -2.298 152 HA GLU 21 HA GLU 21 12.653 8.744 0.025 153 HB2 GLU 21 2HB GLU 21 14.875 8.882 0.385 154 HB3 GLU 21 3HB GLU 21 15.193 8.544 -1.305 155 HG2 GLU 21 2HG GLU 21 14.838 10.990 -1.826 156 HG3 GLU 21 3HG GLU 21 14.616 11.299 -0.115 157 HE2 GLU 21 2HE GLU 21 18.284 9.914 -0.977 158 H GLN 22 HN GLN 22 12.265 9.692 -3.247 159 HA GLN 22 HA GLN 22 12.371 12.426 -3.094 160 HB2 GLN 22 2HB GLN 22 11.007 12.424 -5.108 161 HB3 GLN 22 3HB GLN 22 12.112 11.066 -5.184 162 HG2 GLN 22 2HG GLN 22 10.280 9.778 -5.590 163 HG3 GLN 22 3HG GLN 22 9.913 9.951 -3.885 164 HE21 GLN 22 1HE2 GLN 22 7.989 10.663 -3.403 165 HE22 GLN 22 2HE2 GLN 22 6.959 11.658 -4.376 166 H GLU 23 HN GLU 23 9.993 10.137 -1.830 167 HA GLU 23 HA GLU 23 7.876 11.947 -1.618 168 HB2 GLU 23 2HB GLU 23 7.723 9.421 -1.507 169 HB3 GLU 23 3HB GLU 23 8.425 9.486 0.097 170 HG2 GLU 23 2HG GLU 23 6.436 11.287 0.471 171 HG3 GLU 23 3HG GLU 23 5.698 10.364 -0.823 172 HE2 GLU 23 2HE GLU 23 5.333 9.700 2.654 173 H LEU 24 HN LEU 24 10.821 11.429 0.226 174 HA LEU 24 HA LEU 24 10.159 12.236 2.733 175 HB2 LEU 24 2HB LEU 24 12.621 12.820 1.090 176 HB3 LEU 24 3HB LEU 24 12.494 13.178 2.801 177 HG LEU 24 HG LEU 24 13.049 10.657 1.451 178 HD11 LEU 24 1HD1 LEU 24 14.593 11.582 3.024 179 HD12 LEU 24 2HD1 LEU 24 13.344 11.669 4.288 180 HD13 LEU 24 3HD1 LEU 24 13.928 10.086 3.722 181 HD21 LEU 24 1HD2 LEU 24 11.787 9.199 2.976 182 HD22 LEU 24 2HD2 LEU 24 10.933 10.623 3.621 183 HD23 LEU 24 3HD2 LEU 24 10.718 10.150 1.919 184 H LEU 25 HN LEU 25 10.841 14.317 -0.148 185 HA LEU 25 HA LEU 25 10.537 16.737 1.232 186 HB2 LEU 25 2HB LEU 25 10.083 16.179 -1.701 187 HB3 LEU 25 3HB LEU 25 10.415 17.735 -0.965 188 HG LEU 25 HG LEU 25 12.533 15.967 -0.227 189 HD11 LEU 25 1HD1 LEU 25 13.431 15.258 -2.337 190 HD12 LEU 25 2HD1 LEU 25 11.779 14.614 -2.179 191 HD13 LEU 25 3HD1 LEU 25 12.089 16.021 -3.222 192 HD21 LEU 25 1HD2 LEU 25 12.694 18.171 -2.281 193 HD22 LEU 25 2HD2 LEU 25 12.458 18.505 -0.549 194 HD23 LEU 25 3HD2 LEU 25 13.916 17.646 -1.098 195 H GLU 26 HN GLU 26 8.246 14.411 -0.164 196 HA GLU 26 HA GLU 26 6.089 16.258 -0.079 197 HB2 GLU 26 2HB GLU 26 6.579 13.813 -1.336 198 HB3 GLU 26 3HB GLU 26 5.390 13.388 -0.121 199 HG2 GLU 26 2HG GLU 26 4.404 15.803 -1.159 200 HG3 GLU 26 3HG GLU 26 5.068 15.005 -2.571 201 HE2 GLU 26 2HE GLU 26 1.586 13.859 -1.654 202 H LEU 27 HN LEU 27 7.688 14.075 2.153 203 HA LEU 27 HA LEU 27 5.594 13.462 3.860 204 HB2 LEU 27 2HB LEU 27 8.252 12.906 3.705 205 HB3 LEU 27 3HB LEU 27 8.225 13.987 5.083 206 HG LEU 27 HG LEU 27 8.092 11.645 5.763 207 HD11 LEU 27 1HD1 LEU 27 5.546 12.027 6.785 208 HD12 LEU 27 2HD1 LEU 27 7.072 12.600 7.500 209 HD13 LEU 27 3HD1 LEU 27 6.118 13.681 6.456 210 HD21 LEU 27 1HD2 LEU 27 5.516 10.802 5.193 211 HD22 LEU 27 2HD2 LEU 27 6.068 11.529 3.664 212 HD23 LEU 27 3HD2 LEU 27 7.015 10.227 4.424 213 H ASP 28 HN ASP 28 7.855 16.293 3.849 214 HA ASP 28 HA ASP 28 6.515 17.448 6.056 215 HB2 ASP 28 2HB ASP 28 8.787 18.078 5.855 216 HB3 ASP 28 3HB ASP 28 8.677 18.295 4.119 217 HD2 ASP 28 2HD ASP 28 9.809 20.200 4.835 218 H LYS 29 HN LYS 29 6.401 17.595 2.490 219 HA LYS 29 HA LYS 29 5.077 20.003 2.153 220 HB2 LYS 29 2HB LYS 29 6.162 18.446 0.425 221 HB3 LYS 29 3HB LYS 29 4.655 17.552 0.436 222 HG2 LYS 29 2HG LYS 29 4.301 20.494 0.192 223 HG3 LYS 29 3HG LYS 29 5.178 19.775 -1.144 224 HD2 LYS 29 2HD LYS 29 3.212 17.959 -1.040 225 HD3 LYS 29 3HD LYS 29 2.346 19.249 -0.231 226 HE2 LYS 29 2HE LYS 29 2.952 20.777 -2.189 227 HE3 LYS 29 3HE LYS 29 3.613 19.375 -3.007 228 HZ1 LYS 29 1HZ LYS 29 0.897 20.132 -2.782 229 HZ2 LYS 29 2HZ LYS 29 1.530 18.927 -3.676 230 H TRP 30 HN TRP 30 3.827 16.693 2.852 231 HA TRP 30 HA TRP 30 1.109 17.623 2.811 232 HB2 TRP 30 2HB TRP 30 0.498 15.409 3.142 233 HB3 TRP 30 3HB TRP 30 1.927 15.322 2.131 234 HD1 TRP 30 1HD TRP 30 3.803 13.709 3.005 235 HE1 TRP 30 1HE TRP 30 4.393 12.397 5.217 236 HE3 TRP 30 3HE TRP 30 0.151 15.812 5.849 237 HZ2 TRP 30 2HZ TRP 30 3.291 12.386 7.850 238 HZ3 TRP 30 3HZ TRP 30 -0.023 15.096 8.231 239 HH2 TRP 30 2HH TRP 30 1.471 13.445 9.237 240 H ALA 31 HN ALA 31 3.558 16.524 5.255 241 HA ALA 31 HA ALA 31 1.976 16.829 7.500 242 HB1 ALA 31 1HB ALA 31 4.263 15.741 7.270 243 HB2 ALA 31 2HB ALA 31 4.960 17.379 7.311 244 HB3 ALA 31 3HB ALA 31 4.049 16.763 8.711 245 H SER 32 HN SER 32 3.249 19.205 5.296 246 HA SER 32 HA SER 32 3.637 21.329 6.979 247 HB2 SER 32 2HB SER 32 3.708 20.901 4.249 248 HB3 SER 32 3HB SER 32 2.329 21.972 4.388 249 HG SER 32 HG SER 32 4.433 23.069 4.123 250 H LEU 33 HN LEU 33 0.659 19.795 5.797 251 HA LEU 33 HA LEU 33 -1.183 21.774 6.068 252 HB2 LEU 33 2HB LEU 33 -2.675 20.136 5.838 253 HB3 LEU 33 3HB LEU 33 -1.258 19.156 5.521 254 HG LEU 33 HG LEU 33 -2.458 19.414 8.284 255 HD11 LEU 33 1HD1 LEU 33 -3.863 18.385 6.188 256 HD12 LEU 33 2HD1 LEU 33 -3.016 16.938 6.788 257 HD13 LEU 33 3HD1 LEU 33 -4.050 17.885 7.886 258 HD21 LEU 33 1HD2 LEU 33 -1.131 17.603 8.897 259 HD22 LEU 33 2HD2 LEU 33 -0.849 17.107 7.212 260 HD23 LEU 33 3HD2 LEU 33 -0.057 18.566 7.854 261 H TRP 34 HN TRP 34 0.735 20.197 8.572 262 HA TRP 34 HA TRP 34 -0.941 20.905 10.741 263 HB2 TRP 34 2HB TRP 34 1.984 20.164 10.579 264 HB3 TRP 34 3HB TRP 34 1.127 20.443 12.083 265 HD1 TRP 34 1HD TRP 34 2.141 17.613 10.085 266 HE1 TRP 34 1HE TRP 34 0.707 15.426 10.439 267 HE3 TRP 34 3HE TRP 34 -1.765 19.916 12.386 268 HZ2 TRP 34 2HZ TRP 34 -1.842 14.916 11.617 269 HZ3 TRP 34 3HZ TRP 34 -3.687 18.501 13.107 270 HH2 TRP 34 2HH TRP 34 -3.765 16.083 12.755 271 H ASN 35 HN ASN 35 2.231 22.233 9.531 272 HA ASN 35 HA ASN 35 1.617 24.669 10.956 273 HB2 ASN 35 2HB ASN 35 4.147 24.078 9.354 274 HB3 ASN 35 3HB ASN 35 3.956 25.231 10.659 275 HD21 ASN 35 1HD2 ASN 35 5.638 22.739 10.111 276 HD22 ASN 35 2HD2 ASN 35 5.527 21.796 11.560 Start of MODEL 9 1 H1 GLY 1 HN GLY 1 -25.630 0.188 -3.962 2 HA2 GLY 1 1HA GLY 1 -25.840 2.671 -3.562 3 HA3 GLY 1 2HA GLY 1 -27.070 2.237 -2.392 4 H ILE 2 HN ILE 2 -26.291 0.342 -0.800 5 HA ILE 2 HA ILE 2 -24.030 1.419 0.546 6 HB ILE 2 HB ILE 2 -25.983 -0.797 1.019 7 HG12 ILE 2 2HG1 ILE 2 -25.417 1.082 3.175 8 HG13 ILE 2 3HG1 ILE 2 -25.857 1.911 1.696 9 HG21 ILE 2 1HG2 ILE 2 -23.411 -0.361 2.559 10 HG22 ILE 2 2HG2 ILE 2 -24.796 -1.313 3.149 11 HG23 ILE 2 3HG2 ILE 2 -23.921 -1.827 1.687 12 HD11 ILE 2 1HD1 ILE 2 -27.813 0.187 1.534 13 HD12 ILE 2 2HD1 ILE 2 -27.458 -0.149 3.246 14 HD13 ILE 2 3HD1 ILE 2 -27.942 1.488 2.741 15 H GLY 3 HN GLY 3 -24.714 -1.491 -1.454 16 HA2 GLY 3 1HA GLY 3 -22.283 -2.817 -1.007 17 HA3 GLY 3 2HA GLY 3 -23.345 -3.009 -2.387 18 H ALA 4 HN ALA 4 -23.255 -0.194 -3.272 19 HA ALA 4 HA ALA 4 -20.919 -0.365 -4.856 20 HB1 ALA 4 1HB ALA 4 -22.451 0.805 -6.046 21 HB2 ALA 4 2HB ALA 4 -23.317 1.335 -4.584 22 HB3 ALA 4 3HB ALA 4 -21.869 2.215 -5.128 23 H LEU 5 HN LEU 5 -21.835 1.337 -1.845 24 HA LEU 5 HA LEU 5 -19.568 3.040 -1.849 25 HB2 LEU 5 2HB LEU 5 -21.952 2.902 -0.500 26 HB3 LEU 5 3HB LEU 5 -20.811 2.399 0.731 27 HG LEU 5 HG LEU 5 -19.521 4.588 -0.207 28 HD11 LEU 5 1HD1 LEU 5 -22.473 5.190 -0.544 29 HD12 LEU 5 2HD1 LEU 5 -21.161 6.394 -0.543 30 HD13 LEU 5 3HD1 LEU 5 -21.239 5.162 -1.826 31 HD21 LEU 5 1HD2 LEU 5 -19.840 4.272 2.105 32 HD22 LEU 5 2HD2 LEU 5 -20.641 5.815 1.721 33 HD23 LEU 5 3HD2 LEU 5 -21.613 4.343 1.958 34 H PHE 6 HN PHE 6 -20.276 -0.269 -0.747 35 HA PHE 6 HA PHE 6 -17.988 -0.484 0.901 36 HB2 PHE 6 2HB PHE 6 -20.042 -1.925 1.036 37 HB3 PHE 6 3HB PHE 6 -19.779 -2.483 -0.604 38 HD1 PHE 6 1HD PHE 6 -18.287 -4.274 -1.068 39 HD2 PHE 6 2HD PHE 6 -18.455 -2.623 2.839 40 HE1 PHE 6 1HE PHE 6 -16.932 -6.199 -0.195 41 HE2 PHE 6 2HE PHE 6 -17.100 -4.548 3.711 42 HZ PHE 6 HZ PHE 6 -16.356 -6.314 2.183 43 H LEU 7 HN LEU 7 -18.760 -1.522 -2.488 44 HA LEU 7 HA LEU 7 -16.319 -2.762 -2.972 45 HB2 LEU 7 2HB LEU 7 -18.676 -1.949 -4.442 46 HB3 LEU 7 3HB LEU 7 -17.227 -1.692 -5.395 47 HG LEU 7 HG LEU 7 -18.125 -3.862 -5.893 48 HD11 LEU 7 1HD1 LEU 7 -15.988 -5.040 -4.390 49 HD12 LEU 7 2HD1 LEU 7 -16.063 -4.639 -6.123 50 HD13 LEU 7 3HD1 LEU 7 -15.490 -3.426 -4.953 51 HD21 LEU 7 1HD2 LEU 7 -17.699 -5.038 -3.212 52 HD22 LEU 7 2HD2 LEU 7 -19.086 -3.932 -3.365 53 HD23 LEU 7 3HD2 LEU 7 -18.959 -5.355 -4.427 54 H GLY 8 HN GLY 8 -17.397 0.656 -3.380 55 HA2 GLY 8 1HA GLY 8 -14.965 1.539 -4.559 56 HA3 GLY 8 2HA GLY 8 -16.234 2.528 -3.865 57 H PHE 9 HN PHE 9 -15.817 0.573 -1.339 58 HA PHE 9 HA PHE 9 -14.065 2.420 -0.023 59 HB2 PHE 9 2HB PHE 9 -16.214 0.659 0.587 60 HB3 PHE 9 3HB PHE 9 -14.832 -0.116 1.335 61 HD1 PHE 9 1HD PHE 9 -17.011 2.819 1.381 62 HD2 PHE 9 2HD PHE 9 -13.678 0.927 3.203 63 HE1 PHE 9 1HE PHE 9 -17.203 4.371 3.344 64 HE2 PHE 9 2HE PHE 9 -13.869 2.480 5.166 65 HZ PHE 9 HZ PHE 9 -15.630 4.183 5.213 66 H LEU 10 HN LEU 10 -13.884 -0.823 -1.450 67 HA LEU 10 HA LEU 10 -11.657 -1.751 -0.046 68 HB2 LEU 10 2HB LEU 10 -12.329 -2.415 -2.905 69 HB3 LEU 10 3HB LEU 10 -11.502 -3.411 -1.723 70 HG LEU 10 HG LEU 10 -14.438 -2.699 -1.823 71 HD11 LEU 10 1HD1 LEU 10 -14.152 -4.523 -3.201 72 HD12 LEU 10 2HD1 LEU 10 -12.818 -5.191 -2.230 73 HD13 LEU 10 3HD1 LEU 10 -14.493 -5.307 -1.641 74 HD21 LEU 10 1HD2 LEU 10 -13.585 -2.507 0.507 75 HD22 LEU 10 2HD2 LEU 10 -14.779 -3.808 0.281 76 HD23 LEU 10 3HD2 LEU 10 -13.048 -4.202 0.410 77 H GLY 11 HN GLY 11 -12.041 0.640 -2.612 78 HA2 GLY 11 1HA GLY 11 -9.498 0.612 -3.741 79 HA3 GLY 11 2HA GLY 11 -10.566 1.996 -3.626 80 H ALA 12 HN ALA 12 -10.724 2.043 -0.674 81 HA ALA 12 HA ALA 12 -8.237 3.424 -0.220 82 HB1 ALA 12 1HB ALA 12 -9.480 4.618 1.239 83 HB2 ALA 12 2HB ALA 12 -10.885 3.754 0.571 84 HB3 ALA 12 3HB ALA 12 -10.088 3.151 2.043 85 H ALA 13 HN ALA 13 -9.456 0.232 0.133 86 HA ALA 13 HA ALA 13 -7.901 -0.367 2.494 87 HB1 ALA 13 1HB ALA 13 -8.733 -2.742 1.828 88 HB2 ALA 13 2HB ALA 13 -9.933 -1.549 2.381 89 HB3 ALA 13 3HB ALA 13 -9.750 -1.887 0.643 90 H GLY 14 HN GLY 14 -7.283 0.135 -0.802 91 HA2 GLY 14 1HA GLY 14 -5.327 -1.974 -1.134 92 HA3 GLY 14 2HA GLY 14 -5.726 -0.690 -2.259 93 H SER 15 HN SER 15 -5.464 1.166 0.348 94 HA SER 15 HA SER 15 -2.591 1.459 -0.015 95 HB2 SER 15 2HB SER 15 -4.599 3.522 0.992 96 HB3 SER 15 3HB SER 15 -2.909 3.815 0.635 97 HG SER 15 HG SER 15 -4.097 4.492 -1.169 98 H LYS 16 HN LYS 16 -4.981 0.338 2.137 99 HA LYS 16 HA LYS 16 -4.092 1.284 4.594 100 HB2 LYS 16 2HB LYS 16 -6.235 0.011 3.985 101 HB3 LYS 16 3HB LYS 16 -5.281 -1.453 4.115 102 HG2 LYS 16 2HG LYS 16 -5.711 -1.402 6.345 103 HG3 LYS 16 3HG LYS 16 -4.590 -0.059 6.442 104 HD2 LYS 16 2HD LYS 16 -6.439 1.554 6.077 105 HD3 LYS 16 3HD LYS 16 -7.578 0.237 5.877 106 HE2 LYS 16 2HE LYS 16 -7.477 1.355 8.212 107 HE3 LYS 16 3HE LYS 16 -7.451 -0.397 8.171 108 HZ1 LYS 16 1HZ LYS 16 -5.418 1.375 9.095 109 HZ2 LYS 16 2HZ LYS 16 -5.538 -0.234 9.318 110 H LYS 17 HN LYS 17 -3.102 -1.597 2.647 111 HA LYS 17 HA LYS 17 -1.185 -2.394 4.603 112 HB2 LYS 17 2HB LYS 17 -2.115 -3.338 1.937 113 HB3 LYS 17 3HB LYS 17 -0.483 -3.780 2.400 114 HG2 LYS 17 2HG LYS 17 -2.352 -4.126 4.642 115 HG3 LYS 17 3HG LYS 17 -2.876 -5.033 3.236 116 HD2 LYS 17 2HD LYS 17 -0.810 -6.262 3.117 117 HD3 LYS 17 3HD LYS 17 0.009 -5.150 4.196 118 HE2 LYS 17 2HE LYS 17 -0.495 -6.635 5.853 119 HE3 LYS 17 3HE LYS 17 -2.121 -5.988 5.772 120 HZ1 LYS 17 1HZ LYS 17 -1.828 -7.897 3.727 121 HZ2 LYS 17 2HZ LYS 17 -1.300 -8.578 5.109 122 H21 ACA 18 1HA ACA 18 2.559 -0.851 7.117 123 H22 ACA 18 2HA ACA 18 4.278 -0.559 7.298 124 H31 ACA 18 2HB ACA 18 3.753 1.935 6.795 125 H32 ACA 18 3HB ACA 18 2.160 1.394 6.302 126 H41 ACA 18 2HG ACA 18 4.775 0.327 5.133 127 H42 ACA 18 3HG ACA 18 3.802 1.582 4.390 128 H51 ACA 18 2HD ACA 18 2.618 -1.134 5.094 129 H52 ACA 18 3HD ACA 18 3.450 -0.867 3.574 130 H61 ACA 18 2HE ACA 18 1.523 1.186 4.320 131 H62 ACA 18 3HE ACA 18 1.731 0.529 2.275 132 HN61 ACA 18 HN ACA 18 0.151 -0.581 5.006 133 H LYS 19 HN LYS 19 1.067 -0.084 8.898 134 HA LYS 19 HA LYS 19 1.992 2.651 9.032 135 HB2 LYS 19 2HB LYS 19 -0.622 1.249 8.846 136 HB3 LYS 19 3HB LYS 19 -0.623 2.773 9.710 137 HG2 LYS 19 2HG LYS 19 0.439 2.325 6.880 138 HG3 LYS 19 3HG LYS 19 -1.064 3.125 7.295 139 HD2 LYS 19 2HD LYS 19 0.583 4.649 8.793 140 HD3 LYS 19 3HD LYS 19 1.766 4.110 7.619 141 HE2 LYS 19 2HE LYS 19 -0.272 4.793 5.923 142 HE3 LYS 19 3HE LYS 19 -0.610 5.898 7.241 143 HZ1 LYS 19 1HZ LYS 19 1.869 6.476 7.086 144 HZ2 LYS 19 2HZ LYS 19 1.871 5.722 5.643 145 H ASN 20 HN ASN 20 0.204 0.368 11.229 146 HA ASN 20 HA ASN 20 1.221 1.971 13.425 147 HB2 ASN 20 2HB ASN 20 -1.194 0.232 12.986 148 HB3 ASN 20 3HB ASN 20 -0.523 0.209 14.606 149 HD21 ASN 20 1HD2 ASN 20 -1.191 1.684 15.961 150 HD22 ASN 20 2HD2 ASN 20 -1.906 3.215 15.581 151 H GLU 21 HN GLU 21 2.406 0.911 15.157 152 HA GLU 21 HA GLU 21 3.986 -1.209 14.378 153 HB2 GLU 21 2HB GLU 21 5.121 -0.347 16.128 154 HB3 GLU 21 3HB GLU 21 3.704 0.534 16.665 155 HG2 GLU 21 2HG GLU 21 2.875 -1.539 17.823 156 HG3 GLU 21 3HG GLU 21 4.324 -2.386 17.319 157 HE2 GLU 21 2HE GLU 21 3.028 -0.522 19.658 158 H GLN 22 HN GLN 22 0.717 -1.167 15.451 159 HA GLN 22 HA GLN 22 0.567 -3.449 16.959 160 HB2 GLN 22 2HB GLN 22 -1.797 -3.431 16.458 161 HB3 GLN 22 3HB GLN 22 -1.268 -1.763 16.554 162 HG2 GLN 22 2HG GLN 22 -2.269 -1.509 14.520 163 HG3 GLN 22 3HG GLN 22 -0.847 -2.302 13.871 164 HE21 GLN 22 1HE2 GLN 22 -4.002 -2.263 13.586 165 HE22 GLN 22 2HE2 GLN 22 -4.389 -3.920 13.265 166 H GLU 23 HN GLU 23 1.065 -3.009 13.487 167 HA GLU 23 HA GLU 23 0.213 -5.557 12.715 168 HB2 GLU 23 2HB GLU 23 0.591 -3.490 11.241 169 HB3 GLU 23 3HB GLU 23 2.307 -3.841 11.320 170 HG2 GLU 23 2HG GLU 23 1.428 -4.857 9.291 171 HG3 GLU 23 3HG GLU 23 1.849 -6.146 10.401 172 HE2 GLU 23 2HE GLU 23 -1.334 -4.503 9.382 173 H LEU 24 HN LEU 24 3.109 -4.329 14.275 174 HA LEU 24 HA LEU 24 5.047 -6.060 13.484 175 HB2 LEU 24 2HB LEU 24 4.448 -4.928 16.216 176 HB3 LEU 24 3HB LEU 24 5.919 -5.799 15.834 177 HG LEU 24 HG LEU 24 5.191 -3.031 15.299 178 HD11 LEU 24 1HD1 LEU 24 7.146 -3.755 16.599 179 HD12 LEU 24 2HD1 LEU 24 7.834 -4.505 15.138 180 HD13 LEU 24 3HD1 LEU 24 7.604 -2.741 15.209 181 HD21 LEU 24 1HD2 LEU 24 4.758 -3.814 13.038 182 HD22 LEU 24 2HD2 LEU 24 6.251 -2.846 13.089 183 HD23 LEU 24 3HD2 LEU 24 6.344 -4.620 12.992 184 H LEU 25 HN LEU 25 2.150 -6.709 15.425 185 HA LEU 25 HA LEU 25 3.013 -9.157 16.500 186 HB2 LEU 25 2HB LEU 25 0.799 -7.485 16.693 187 HB3 LEU 25 3HB LEU 25 0.155 -8.957 15.995 188 HG LEU 25 HG LEU 25 1.782 -9.861 18.078 189 HD11 LEU 25 1HD1 LEU 25 0.094 -8.013 19.577 190 HD12 LEU 25 2HD1 LEU 25 1.808 -8.440 19.794 191 HD13 LEU 25 3HD1 LEU 25 1.345 -7.180 18.625 192 HD21 LEU 25 1HD2 LEU 25 -0.397 -10.764 17.332 193 HD22 LEU 25 2HD2 LEU 25 -0.290 -10.571 19.099 194 HD23 LEU 25 3HD2 LEU 25 -1.212 -9.397 18.128 195 H GLU 26 HN GLU 26 1.351 -8.232 13.441 196 HA GLU 26 HA GLU 26 1.087 -10.955 12.673 197 HB2 GLU 26 2HB GLU 26 0.215 -8.331 11.707 198 HB3 GLU 26 3HB GLU 26 0.784 -9.328 10.382 199 HG2 GLU 26 2HG GLU 26 -0.868 -10.885 12.247 200 HG3 GLU 26 3HG GLU 26 -1.737 -9.484 11.652 201 HE2 GLU 26 2HE GLU 26 -2.667 -11.097 9.019 202 H LEU 27 HN LEU 27 3.528 -8.443 12.439 203 HA LEU 27 HA LEU 27 4.843 -9.283 10.130 204 HB2 LEU 27 2HB LEU 27 5.095 -7.149 11.513 205 HB3 LEU 27 3HB LEU 27 6.159 -8.074 12.553 206 HG LEU 27 HG LEU 27 6.764 -8.137 9.639 207 HD11 LEU 27 1HD1 LEU 27 7.541 -5.992 9.403 208 HD12 LEU 27 2HD1 LEU 27 6.107 -5.713 10.420 209 HD13 LEU 27 3HD1 LEU 27 7.728 -5.744 11.156 210 HD21 LEU 27 1HD2 LEU 27 9.033 -7.533 11.181 211 HD22 LEU 27 2HD2 LEU 27 8.085 -8.692 12.144 212 HD23 LEU 27 3HD2 LEU 27 8.573 -9.104 10.482 213 H ASP 28 HN ASP 28 5.064 -10.345 13.564 214 HA ASP 28 HA ASP 28 7.170 -12.151 12.921 215 HB2 ASP 28 2HB ASP 28 7.379 -12.392 15.198 216 HB3 ASP 28 3HB ASP 28 6.425 -10.922 15.220 217 HD2 ASP 28 2HD ASP 28 3.782 -12.350 16.794 218 H LYS 29 HN LYS 29 3.619 -12.128 13.351 219 HA LYS 29 HA LYS 29 3.194 -14.857 13.674 220 HB2 LYS 29 2HB LYS 29 1.040 -14.248 13.723 221 HB3 LYS 29 3HB LYS 29 1.644 -12.604 13.650 222 HG2 LYS 29 2HG LYS 29 0.033 -12.735 11.893 223 HG3 LYS 29 3HG LYS 29 1.583 -12.826 11.080 224 HD2 LYS 29 2HD LYS 29 0.933 -14.786 10.146 225 HD3 LYS 29 3HD LYS 29 0.947 -15.513 11.741 226 HE2 LYS 29 2HE LYS 29 -1.462 -13.875 10.931 227 HE3 LYS 29 3HE LYS 29 -1.282 -15.481 10.255 228 HZ1 LYS 29 1HZ LYS 29 -0.763 -15.803 12.935 229 HZ2 LYS 29 2HZ LYS 29 -2.010 -14.755 12.919 230 H TRP 30 HN TRP 30 3.663 -12.830 10.743 231 HA TRP 30 HA TRP 30 3.235 -15.120 9.032 232 HB2 TRP 30 2HB TRP 30 3.234 -13.647 7.270 233 HB3 TRP 30 3HB TRP 30 2.541 -12.693 8.566 234 HD1 TRP 30 1HD TRP 30 3.663 -10.352 8.920 235 HE1 TRP 30 1HE TRP 30 5.867 -9.095 8.195 236 HE3 TRP 30 3HE TRP 30 5.855 -14.372 6.710 237 HZ2 TRP 30 2HZ TRP 30 8.226 -9.905 6.809 238 HZ3 TRP 30 3HZ TRP 30 8.110 -14.054 5.696 239 HH2 TRP 30 2HH TRP 30 9.291 -11.915 5.720 240 H ALA 31 HN ALA 31 5.907 -12.832 9.948 241 HA ALA 31 HA ALA 31 7.918 -14.058 8.507 242 HB1 ALA 31 1HB ALA 31 8.053 -12.618 11.189 243 HB2 ALA 31 2HB ALA 31 9.420 -12.892 10.082 244 HB3 ALA 31 3HB ALA 31 8.071 -11.842 9.586 245 H SER 32 HN SER 32 6.133 -15.172 11.284 246 HA SER 32 HA SER 32 8.008 -16.676 12.573 247 HB2 SER 32 2HB SER 32 6.121 -16.931 13.796 248 HB3 SER 32 3HB SER 32 5.105 -16.512 12.431 249 HG SER 32 HG SER 32 5.683 -19.005 13.497 250 H LEU 33 HN LEU 33 6.381 -17.188 9.463 251 HA LEU 33 HA LEU 33 6.568 -19.870 9.102 252 HB2 LEU 33 2HB LEU 33 5.968 -19.366 7.037 253 HB3 LEU 33 3HB LEU 33 5.966 -17.696 7.570 254 HG LEU 33 HG LEU 33 8.386 -19.031 6.336 255 HD11 LEU 33 1HD1 LEU 33 7.706 -17.669 4.281 256 HD12 LEU 33 2HD1 LEU 33 6.800 -19.164 4.615 257 HD13 LEU 33 3HD1 LEU 33 6.090 -17.583 5.022 258 HD21 LEU 33 1HD2 LEU 33 8.259 -16.209 5.922 259 HD22 LEU 33 2HD2 LEU 33 8.002 -16.541 7.651 260 HD23 LEU 33 3HD2 LEU 33 9.458 -17.158 6.833 261 H TRP 34 HN TRP 34 9.188 -17.445 9.138 262 HA TRP 34 HA TRP 34 11.187 -19.005 8.001 263 HB2 TRP 34 2HB TRP 34 11.332 -16.822 10.087 264 HB3 TRP 34 3HB TRP 34 12.727 -17.511 9.278 265 HD1 TRP 34 1HD TRP 34 10.620 -14.584 8.964 266 HE1 TRP 34 1HE TRP 34 10.619 -13.473 6.570 267 HE3 TRP 34 3HE TRP 34 12.653 -18.564 6.536 268 HZ2 TRP 34 2HZ TRP 34 11.449 -14.362 3.989 269 HZ3 TRP 34 3HZ TRP 34 13.025 -18.359 4.080 270 HH2 TRP 34 2HH TRP 34 12.458 -16.349 2.810 271 H ASN 35 HN ASN 35 10.617 -18.333 11.539 272 HA ASN 35 HA ASN 35 11.728 -20.984 12.023 273 HB2 ASN 35 2HB ASN 35 11.539 -19.168 14.357 274 HB3 ASN 35 3HB ASN 35 12.909 -20.108 13.798 275 HD21 ASN 35 1HD2 ASN 35 10.961 -17.239 13.055 276 HD22 ASN 35 2HD2 ASN 35 12.236 -16.260 12.408 Start of MODEL 10 1 H1 GLY 1 HN GLY 1 -25.231 1.936 -5.793 2 HA2 GLY 1 1HA GLY 1 -23.580 3.923 -5.555 3 HA3 GLY 1 2HA GLY 1 -24.902 4.616 -4.636 4 H ILE 2 HN ILE 2 -25.864 1.984 -3.585 5 HA ILE 2 HA ILE 2 -24.326 1.927 -1.251 6 HB ILE 2 HB ILE 2 -26.317 -0.067 -2.337 7 HG12 ILE 2 2HG1 ILE 2 -27.517 1.400 -0.312 8 HG13 ILE 2 3HG1 ILE 2 -26.591 2.611 -1.178 9 HG21 ILE 2 1HG2 ILE 2 -24.589 -0.401 -0.195 10 HG22 ILE 2 2HG2 ILE 2 -26.098 0.165 0.561 11 HG23 ILE 2 3HG2 ILE 2 -26.111 -1.279 -0.480 12 HD11 ILE 2 1HD1 ILE 2 -28.148 0.634 -2.827 13 HD12 ILE 2 2HD1 ILE 2 -29.058 1.896 -1.963 14 HD13 ILE 2 3HD1 ILE 2 -27.805 2.352 -3.142 15 H GLY 3 HN GLY 3 -24.536 -0.382 -4.043 16 HA2 GLY 3 1HA GLY 3 -22.661 -2.220 -3.144 17 HA3 GLY 3 2HA GLY 3 -23.064 -1.892 -4.818 18 H ALA 4 HN ALA 4 -22.238 0.852 -5.016 19 HA ALA 4 HA ALA 4 -19.462 0.456 -5.409 20 HB1 ALA 4 1HB ALA 4 -21.338 2.025 -6.544 21 HB2 ALA 4 2HB ALA 4 -20.648 3.201 -5.399 22 HB3 ALA 4 3HB ALA 4 -19.602 2.411 -6.604 23 H LEU 5 HN LEU 5 -21.429 1.422 -2.707 24 HA LEU 5 HA LEU 5 -19.539 3.108 -1.450 25 HB2 LEU 5 2HB LEU 5 -22.179 2.445 -1.092 26 HB3 LEU 5 3HB LEU 5 -21.414 1.644 0.266 27 HG LEU 5 HG LEU 5 -22.288 3.984 0.672 28 HD11 LEU 5 1HD1 LEU 5 -20.943 3.974 2.437 29 HD12 LEU 5 2HD1 LEU 5 -20.026 2.658 1.665 30 HD13 LEU 5 3HD1 LEU 5 -19.523 4.348 1.431 31 HD21 LEU 5 1HD2 LEU 5 -19.791 5.053 -0.582 32 HD22 LEU 5 2HD2 LEU 5 -21.206 4.732 -1.613 33 HD23 LEU 5 3HD2 LEU 5 -21.342 5.859 -0.242 34 H PHE 6 HN PHE 6 -20.369 -0.404 -1.161 35 HA PHE 6 HA PHE 6 -18.343 -0.848 0.781 36 HB2 PHE 6 2HB PHE 6 -20.497 -2.177 0.401 37 HB3 PHE 6 3HB PHE 6 -19.862 -2.713 -1.141 38 HD1 PHE 6 1HD PHE 6 -18.366 -4.544 -1.276 39 HD2 PHE 6 2HD PHE 6 -19.352 -2.911 2.515 40 HE1 PHE 6 1HE PHE 6 -17.281 -6.506 -0.148 41 HE2 PHE 6 2HE PHE 6 -18.267 -4.873 3.642 42 HZ PHE 6 HZ PHE 6 -17.244 -6.648 2.298 43 H LEU 7 HN LEU 7 -18.679 -1.447 -2.774 44 HA LEU 7 HA LEU 7 -16.218 -2.751 -3.050 45 HB2 LEU 7 2HB LEU 7 -18.219 -1.478 -4.843 46 HB3 LEU 7 3HB LEU 7 -16.614 -1.745 -5.494 47 HG LEU 7 HG LEU 7 -18.343 -3.548 -5.925 48 HD11 LEU 7 1HD1 LEU 7 -15.598 -3.688 -5.540 49 HD12 LEU 7 2HD1 LEU 7 -16.235 -5.065 -4.609 50 HD13 LEU 7 3HD1 LEU 7 -16.626 -4.902 -6.337 51 HD21 LEU 7 1HD2 LEU 7 -18.991 -3.384 -3.341 52 HD22 LEU 7 2HD2 LEU 7 -19.205 -4.872 -4.295 53 HD23 LEU 7 3HD2 LEU 7 -17.788 -4.692 -3.234 54 H GLY 8 HN GLY 8 -17.193 0.703 -3.114 55 HA2 GLY 8 1HA GLY 8 -14.639 1.651 -3.975 56 HA3 GLY 8 2HA GLY 8 -15.964 2.590 -3.317 57 H PHE 9 HN PHE 9 -15.874 0.395 -0.979 58 HA PHE 9 HA PHE 9 -14.327 2.045 0.743 59 HB2 PHE 9 2HB PHE 9 -16.461 0.284 0.936 60 HB3 PHE 9 3HB PHE 9 -15.163 -0.766 1.470 61 HD1 PHE 9 1HD PHE 9 -13.950 -0.289 3.544 62 HD2 PHE 9 2HD PHE 9 -17.183 2.154 2.287 63 HE1 PHE 9 1HE PHE 9 -14.098 0.700 5.846 64 HE2 PHE 9 2HE PHE 9 -17.332 3.143 4.589 65 HZ PHE 9 HZ PHE 9 -15.787 2.404 6.341 66 H LEU 10 HN LEU 10 -13.935 -1.202 -0.775 67 HA LEU 10 HA LEU 10 -11.648 -1.933 0.646 68 HB2 LEU 10 2HB LEU 10 -12.262 -2.756 -2.182 69 HB3 LEU 10 3HB LEU 10 -11.412 -3.657 -0.942 70 HG LEU 10 HG LEU 10 -14.370 -3.135 -1.191 71 HD11 LEU 10 1HD1 LEU 10 -13.419 -5.072 -2.374 72 HD12 LEU 10 2HD1 LEU 10 -12.781 -5.692 -0.832 73 HD13 LEU 10 3HD1 LEU 10 -14.539 -5.557 -1.077 74 HD21 LEU 10 1HD2 LEU 10 -14.419 -2.822 1.036 75 HD22 LEU 10 2HD2 LEU 10 -14.219 -4.590 1.095 76 HD23 LEU 10 3HD2 LEU 10 -12.803 -3.527 1.282 77 H GLY 11 HN GLY 11 -12.193 0.342 -1.988 78 HA2 GLY 11 1HA GLY 11 -9.687 0.429 -3.172 79 HA3 GLY 11 2HA GLY 11 -10.810 1.768 -3.036 80 H ALA 12 HN ALA 12 -10.799 1.588 0.009 81 HA ALA 12 HA ALA 12 -8.508 3.288 0.368 82 HB1 ALA 12 1HB ALA 12 -10.673 3.870 1.351 83 HB2 ALA 12 2HB ALA 12 -10.703 2.335 2.252 84 HB3 ALA 12 3HB ALA 12 -9.485 3.573 2.641 85 H ALA 13 HN ALA 13 -9.413 -0.079 0.877 86 HA ALA 13 HA ALA 13 -7.482 -0.605 2.893 87 HB1 ALA 13 1HB ALA 13 -8.665 -2.626 0.972 88 HB2 ALA 13 2HB ALA 13 -8.196 -2.846 2.674 89 HB3 ALA 13 3HB ALA 13 -9.643 -1.893 2.267 90 H GLY 14 HN GLY 14 -7.611 -0.890 -0.704 91 HA2 GLY 14 1HA GLY 14 -4.829 -1.800 -0.742 92 HA3 GLY 14 2HA GLY 14 -5.953 -1.751 -2.086 93 H SER 15 HN SER 15 -6.058 1.105 -0.114 94 HA SER 15 HA SER 15 -5.032 2.626 -2.270 95 HB2 SER 15 2HB SER 15 -6.722 3.791 -1.201 96 HB3 SER 15 3HB SER 15 -6.311 3.164 0.383 97 HG SER 15 HG SER 15 -5.407 5.081 0.689 98 H LYS 16 HN LYS 16 -3.514 0.794 0.064 99 HA LYS 16 HA LYS 16 -1.542 2.601 0.990 100 HB2 LYS 16 2HB LYS 16 -2.394 0.074 1.674 101 HB3 LYS 16 3HB LYS 16 -0.847 -0.259 0.920 102 HG2 LYS 16 2HG LYS 16 0.361 0.884 2.542 103 HG3 LYS 16 3HG LYS 16 -0.906 2.064 2.815 104 HD2 LYS 16 2HD LYS 16 -2.196 0.516 4.159 105 HD3 LYS 16 3HD LYS 16 -1.214 -0.847 3.661 106 HE2 LYS 16 2HE LYS 16 0.347 -0.439 5.270 107 HE3 LYS 16 3HE LYS 16 0.451 1.259 4.849 108 HZ1 LYS 16 1HZ LYS 16 -0.460 1.283 6.984 109 HZ2 LYS 16 2HZ LYS 16 -1.808 1.413 6.078 110 H LYS 17 HN LYS 17 -2.195 1.295 -2.079 111 HA LYS 17 HA LYS 17 0.553 1.904 -2.888 112 HB2 LYS 17 2HB LYS 17 -1.066 -0.491 -3.808 113 HB3 LYS 17 3HB LYS 17 0.466 0.016 -4.491 114 HG2 LYS 17 2HG LYS 17 1.039 -0.061 -1.763 115 HG3 LYS 17 3HG LYS 17 -0.085 -1.394 -1.939 116 HD2 LYS 17 2HD LYS 17 1.491 -1.866 -4.117 117 HD3 LYS 17 3HD LYS 17 2.662 -1.059 -3.095 118 HE2 LYS 17 2HE LYS 17 1.460 -2.804 -1.296 119 HE3 LYS 17 3HE LYS 17 1.406 -3.735 -2.780 120 HZ1 LYS 17 1HZ LYS 17 3.533 -3.827 -1.335 121 HZ2 LYS 17 2HZ LYS 17 3.723 -3.707 -2.948 122 H21 ACA 18 1HA ACA 18 0.437 7.820 -5.880 123 H22 ACA 18 2HA ACA 18 2.027 7.173 -5.527 124 H31 ACA 18 2HB ACA 18 1.235 4.917 -5.477 125 H32 ACA 18 3HB ACA 18 -0.235 5.315 -6.343 126 H41 ACA 18 2HG ACA 18 0.012 6.858 -3.845 127 H42 ACA 18 3HG ACA 18 0.061 5.132 -3.548 128 H51 ACA 18 2HD ACA 18 -2.076 6.448 -5.285 129 H52 ACA 18 3HD ACA 18 -2.275 6.202 -3.562 130 H61 ACA 18 2HE ACA 18 -3.292 4.409 -4.479 131 H62 ACA 18 3HE ACA 18 -2.022 3.940 -6.159 132 HN61 ACA 18 HN ACA 18 -1.498 3.783 -2.846 133 H LYS 19 HN LYS 19 1.013 4.905 -7.797 134 HA LYS 19 HA LYS 19 3.658 6.015 -8.212 135 HB2 LYS 19 2HB LYS 19 2.516 3.216 -8.359 136 HB3 LYS 19 3HB LYS 19 4.157 3.598 -8.840 137 HG2 LYS 19 2HG LYS 19 3.088 4.432 -6.117 138 HG3 LYS 19 3HG LYS 19 3.743 2.828 -6.377 139 HD2 LYS 19 2HD LYS 19 5.652 4.555 -7.546 140 HD3 LYS 19 3HD LYS 19 5.157 5.387 -6.084 141 HE2 LYS 19 2HE LYS 19 6.148 3.837 -4.714 142 HE3 LYS 19 3HE LYS 19 5.583 2.483 -5.673 143 HZ1 LYS 19 1HZ LYS 19 7.368 2.938 -7.270 144 HZ2 LYS 19 2HZ LYS 19 7.885 4.215 -6.403 145 H ASN 20 HN ASN 20 1.111 4.286 -10.143 146 HA ASN 20 HA ASN 20 2.401 5.363 -12.507 147 HB2 ASN 20 2HB ASN 20 1.074 2.873 -11.874 148 HB3 ASN 20 3HB ASN 20 0.129 3.664 -13.119 149 HD21 ASN 20 1HD2 ASN 20 1.133 4.289 -15.086 150 HD22 ASN 20 2HD2 ASN 20 2.539 3.470 -15.684 151 H GLU 21 HN GLU 21 1.038 6.490 -14.135 152 HA GLU 21 HA GLU 21 -0.806 8.211 -12.968 153 HB2 GLU 21 2HB GLU 21 -0.251 9.334 -14.843 154 HB3 GLU 21 3HB GLU 21 0.537 7.908 -15.490 155 HG2 GLU 21 2HG GLU 21 -1.705 7.083 -16.312 156 HG3 GLU 21 3HG GLU 21 -2.439 8.564 -15.732 157 HE2 GLU 21 2HE GLU 21 -0.082 7.850 -18.637 158 H GLN 22 HN GLN 22 -1.106 4.951 -13.982 159 HA GLN 22 HA GLN 22 -3.597 4.898 -15.118 160 HB2 GLN 22 2HB GLN 22 -3.630 2.543 -14.545 161 HB3 GLN 22 3HB GLN 22 -1.980 2.979 -14.944 162 HG2 GLN 22 2HG GLN 22 -1.833 3.454 -12.299 163 HG3 GLN 22 3HG GLN 22 -3.176 2.330 -12.250 164 HE21 GLN 22 1HE2 GLN 22 -2.002 0.768 -11.197 165 HE22 GLN 22 2HE2 GLN 22 -0.773 -0.188 -11.957 166 H GLU 23 HN GLU 23 -2.603 5.390 -11.755 167 HA GLU 23 HA GLU 23 -5.029 4.694 -10.576 168 HB2 GLU 23 2HB GLU 23 -2.941 4.895 -9.294 169 HB3 GLU 23 3HB GLU 23 -2.833 6.603 -9.663 170 HG2 GLU 23 2HG GLU 23 -5.362 5.614 -8.352 171 HG3 GLU 23 3HG GLU 23 -3.918 5.709 -7.364 172 HE2 GLU 23 2HE GLU 23 -3.436 8.898 -8.857 173 H LEU 24 HN LEU 24 -3.961 7.500 -12.403 174 HA LEU 24 HA LEU 24 -5.503 9.514 -11.412 175 HB2 LEU 24 2HB LEU 24 -4.778 8.828 -14.260 176 HB3 LEU 24 3HB LEU 24 -5.544 10.334 -13.794 177 HG LEU 24 HG LEU 24 -2.750 9.525 -13.630 178 HD11 LEU 24 1HD1 LEU 24 -3.471 11.462 -14.877 179 HD12 LEU 24 2HD1 LEU 24 -4.184 12.186 -13.415 180 HD13 LEU 24 3HD1 LEU 24 -2.420 11.979 -13.537 181 HD21 LEU 24 1HD2 LEU 24 -3.972 10.773 -11.153 182 HD22 LEU 24 2HD2 LEU 24 -3.225 9.162 -11.274 183 HD23 LEU 24 3HD2 LEU 24 -2.231 10.623 -11.491 184 H LEU 25 HN LEU 25 -6.475 6.821 -13.607 185 HA LEU 25 HA LEU 25 -9.115 7.788 -13.925 186 HB2 LEU 25 2HB LEU 25 -8.483 6.431 -15.639 187 HB3 LEU 25 3HB LEU 25 -7.586 5.335 -14.607 188 HG LEU 25 HG LEU 25 -9.770 4.444 -13.748 189 HD11 LEU 25 1HD1 LEU 25 -11.202 6.343 -14.228 190 HD12 LEU 25 2HD1 LEU 25 -10.931 6.140 -15.976 191 HD13 LEU 25 3HD1 LEU 25 -11.807 4.890 -15.060 192 HD21 LEU 25 1HD2 LEU 25 -9.739 2.834 -15.317 193 HD22 LEU 25 2HD2 LEU 25 -9.944 3.983 -16.660 194 HD23 LEU 25 3HD2 LEU 25 -8.335 3.732 -15.939 195 H GLU 26 HN GLU 26 -7.409 5.903 -11.472 196 HA GLU 26 HA GLU 26 -9.800 4.854 -10.361 197 HB2 GLU 26 2HB GLU 26 -6.951 4.512 -10.012 198 HB3 GLU 26 3HB GLU 26 -7.665 4.826 -8.443 199 HG2 GLU 26 2HG GLU 26 -9.179 2.963 -8.635 200 HG3 GLU 26 3HG GLU 26 -8.889 2.800 -10.355 201 HE2 GLU 26 2HE GLU 26 -7.012 1.663 -7.301 202 H LEU 27 HN LEU 27 -7.953 7.831 -10.122 203 HA LEU 27 HA LEU 27 -8.662 8.618 -7.546 204 HB2 LEU 27 2HB LEU 27 -6.941 9.576 -9.180 205 HB3 LEU 27 3HB LEU 27 -8.273 10.470 -9.886 206 HG LEU 27 HG LEU 27 -7.917 10.692 -6.935 207 HD11 LEU 27 1HD1 LEU 27 -5.819 11.402 -6.965 208 HD12 LEU 27 2HD1 LEU 27 -5.730 11.152 -8.725 209 HD13 LEU 27 3HD1 LEU 27 -6.289 12.712 -8.075 210 HD21 LEU 27 1HD2 LEU 27 -8.262 13.072 -8.652 211 HD22 LEU 27 2HD2 LEU 27 -9.579 11.876 -8.719 212 HD23 LEU 27 3HD2 LEU 27 -9.104 12.590 -7.159 213 H ASP 28 HN ASP 28 -10.346 8.926 -10.715 214 HA ASP 28 HA ASP 28 -12.464 10.390 -9.499 215 HB2 ASP 28 2HB ASP 28 -11.720 10.664 -11.904 216 HB3 ASP 28 3HB ASP 28 -12.308 9.047 -12.240 217 HD2 ASP 28 2HD ASP 28 -14.219 12.208 -12.639 218 H LYS 29 HN LYS 29 -11.655 7.045 -10.473 219 HA LYS 29 HA LYS 29 -14.208 5.947 -10.458 220 HB2 LYS 29 2HB LYS 29 -13.111 4.052 -10.927 221 HB3 LYS 29 3HB LYS 29 -11.679 5.060 -11.000 222 HG2 LYS 29 2HG LYS 29 -11.096 3.286 -9.512 223 HG3 LYS 29 3HG LYS 29 -11.414 4.655 -8.466 224 HD2 LYS 29 2HD LYS 29 -12.927 3.375 -7.364 225 HD3 LYS 29 3HD LYS 29 -13.941 3.435 -8.792 226 HE2 LYS 29 2HE LYS 29 -11.685 1.429 -8.748 227 HE3 LYS 29 3HE LYS 29 -13.094 1.098 -7.762 228 HZ1 LYS 29 1HZ LYS 29 -14.305 1.745 -10.021 229 HZ2 LYS 29 2HZ LYS 29 -12.906 1.226 -10.673 230 H TRP 30 HN TRP 30 -11.864 6.609 -7.815 231 HA TRP 30 HA TRP 30 -13.635 5.397 -5.878 232 HB2 TRP 30 2HB TRP 30 -11.913 5.592 -4.368 233 HB3 TRP 30 3HB TRP 30 -11.068 5.328 -5.881 234 HD1 TRP 30 1HD TRP 30 -9.175 7.067 -6.393 235 HE1 TRP 30 1HE TRP 30 -8.386 9.430 -5.524 236 HE3 TRP 30 3HE TRP 30 -13.145 7.843 -3.311 237 HZ2 TRP 30 2HZ TRP 30 -9.486 11.317 -3.687 238 HZ3 TRP 30 3HZ TRP 30 -13.210 9.973 -2.015 239 HH2 TRP 30 2HH TRP 30 -11.465 11.677 -2.167 240 H ALA 31 HN ALA 31 -12.270 8.667 -6.692 241 HA ALA 31 HA ALA 31 -13.670 10.105 -4.795 242 HB1 ALA 31 1HB ALA 31 -12.815 10.917 -7.603 243 HB2 ALA 31 2HB ALA 31 -13.210 12.030 -6.271 244 HB3 ALA 31 3HB ALA 31 -11.791 10.963 -6.147 245 H SER 32 HN SER 32 -14.797 8.410 -7.622 246 HA SER 32 HA SER 32 -16.921 9.951 -8.370 247 HB2 SER 32 2HB SER 32 -16.451 8.114 -9.760 248 HB3 SER 32 3HB SER 32 -16.345 6.989 -8.421 249 HG SER 32 HG SER 32 -18.411 6.531 -8.691 250 H LEU 33 HN LEU 33 -16.475 7.816 -5.554 251 HA LEU 33 HA LEU 33 -19.042 7.312 -4.801 252 HB2 LEU 33 2HB LEU 33 -18.076 6.505 -2.984 253 HB3 LEU 33 3HB LEU 33 -16.560 6.944 -3.747 254 HG LEU 33 HG LEU 33 -18.032 8.858 -1.933 255 HD11 LEU 33 1HD1 LEU 33 -17.628 6.689 -0.758 256 HD12 LEU 33 2HD1 LEU 33 -15.887 6.914 -1.048 257 HD13 LEU 33 3HD1 LEU 33 -16.780 8.083 -0.046 258 HD21 LEU 33 1HD2 LEU 33 -15.798 9.148 -3.575 259 HD22 LEU 33 2HD2 LEU 33 -16.320 10.237 -2.267 260 HD23 LEU 33 3HD2 LEU 33 -15.131 8.956 -1.936 261 H TRP 34 HN TRP 34 -17.216 10.375 -4.639 262 HA TRP 34 HA TRP 34 -18.966 11.729 -2.926 263 HB2 TRP 34 2HB TRP 34 -17.081 12.707 -5.073 264 HB3 TRP 34 3HB TRP 34 -17.962 13.771 -3.995 265 HD1 TRP 34 1HD TRP 34 -14.643 12.401 -4.214 266 HE1 TRP 34 1HE TRP 34 -13.352 12.214 -1.920 267 HE3 TRP 34 3HE TRP 34 -18.749 12.912 -1.259 268 HZ2 TRP 34 2HZ TRP 34 -14.173 12.300 0.811 269 HZ3 TRP 34 3HZ TRP 34 -18.417 12.849 1.211 270 HH2 TRP 34 2HH TRP 34 -16.226 12.555 2.254 271 H ASN 35 HN ASN 35 -18.629 11.960 -6.549 272 HA ASN 35 HA ASN 35 -21.436 12.720 -6.584 273 HB2 ASN 35 2HB ASN 35 -20.874 13.566 -8.929 274 HB3 ASN 35 3HB ASN 35 -20.020 14.396 -7.643 275 HD21 ASN 35 1HD2 ASN 35 -17.859 14.317 -7.510 276 HD22 ASN 35 2HD2 ASN 35 -16.814 13.485 -8.610 Start of MODEL 11 1 H1 GLY 1 HN GLY 1 -25.276 4.208 -3.944 2 HA2 GLY 1 1HA GLY 1 -26.452 1.545 -4.417 3 HA3 GLY 1 2HA GLY 1 -24.938 1.995 -5.175 4 H ILE 2 HN ILE 2 -26.457 0.779 -2.313 5 HA ILE 2 HA ILE 2 -24.604 1.531 -0.375 6 HB ILE 2 HB ILE 2 -26.539 -0.744 -0.674 7 HG12 ILE 2 2HG1 ILE 2 -26.563 1.363 1.465 8 HG13 ILE 2 3HG1 ILE 2 -27.091 1.778 -0.154 9 HG21 ILE 2 1HG2 ILE 2 -25.985 -1.011 1.892 10 HG22 ILE 2 2HG2 ILE 2 -25.064 -1.890 0.649 11 HG23 ILE 2 3HG2 ILE 2 -24.389 -0.413 1.379 12 HD11 ILE 2 1HD1 ILE 2 -28.184 -0.787 0.913 13 HD12 ILE 2 2HD1 ILE 2 -28.737 0.691 1.736 14 HD13 ILE 2 3HD1 ILE 2 -28.995 0.497 -0.015 15 H GLY 3 HN GLY 3 -24.752 -1.375 -2.534 16 HA2 GLY 3 1HA GLY 3 -22.401 -2.576 -1.558 17 HA3 GLY 3 2HA GLY 3 -23.177 -2.876 -3.100 18 H ALA 4 HN ALA 4 -23.035 -0.050 -4.032 19 HA ALA 4 HA ALA 4 -20.515 -0.177 -5.259 20 HB1 ALA 4 1HB ALA 4 -22.381 0.886 -6.354 21 HB2 ALA 4 2HB ALA 4 -22.606 2.017 -4.999 22 HB3 ALA 4 3HB ALA 4 -21.164 2.144 -6.035 23 H LEU 5 HN LEU 5 -21.711 1.262 -2.247 24 HA LEU 5 HA LEU 5 -19.470 3.002 -1.933 25 HB2 LEU 5 2HB LEU 5 -21.965 2.932 -0.917 26 HB3 LEU 5 3HB LEU 5 -21.094 2.174 0.402 27 HG LEU 5 HG LEU 5 -19.514 4.195 0.320 28 HD11 LEU 5 1HD1 LEU 5 -20.601 4.850 -1.989 29 HD12 LEU 5 2HD1 LEU 5 -21.767 5.701 -0.948 30 HD13 LEU 5 3HD1 LEU 5 -20.034 6.094 -0.850 31 HD21 LEU 5 1HD2 LEU 5 -21.732 5.581 1.281 32 HD22 LEU 5 2HD2 LEU 5 -22.149 3.865 1.498 33 HD23 LEU 5 3HD2 LEU 5 -20.649 4.511 2.206 34 H PHE 6 HN PHE 6 -20.359 -0.330 -0.990 35 HA PHE 6 HA PHE 6 -18.245 -0.655 0.844 36 HB2 PHE 6 2HB PHE 6 -20.425 -2.017 0.509 37 HB3 PHE 6 3HB PHE 6 -19.706 -2.694 -0.938 38 HD1 PHE 6 1HD PHE 6 -17.953 -4.355 -0.797 39 HD2 PHE 6 2HD PHE 6 -19.588 -2.640 2.723 40 HE1 PHE 6 1HE PHE 6 -16.888 -6.164 0.578 41 HE2 PHE 6 2HE PHE 6 -18.523 -4.449 4.099 42 HZ PHE 6 HZ PHE 6 -17.186 -6.189 3.011 43 H LEU 7 HN LEU 7 -18.656 -1.448 -2.664 44 HA LEU 7 HA LEU 7 -16.164 -2.715 -2.917 45 HB2 LEU 7 2HB LEU 7 -18.301 -1.711 -4.693 46 HB3 LEU 7 3HB LEU 7 -16.708 -1.822 -5.415 47 HG LEU 7 HG LEU 7 -18.015 -3.833 -5.839 48 HD11 LEU 7 1HD1 LEU 7 -16.217 -5.161 -5.727 49 HD12 LEU 7 2HD1 LEU 7 -15.404 -3.743 -5.023 50 HD13 LEU 7 3HD1 LEU 7 -16.079 -4.999 -3.959 51 HD21 LEU 7 1HD2 LEU 7 -19.275 -3.563 -3.575 52 HD22 LEU 7 2HD2 LEU 7 -18.991 -5.189 -4.241 53 HD23 LEU 7 3HD2 LEU 7 -17.959 -4.572 -2.928 54 H GLY 8 HN GLY 8 -17.264 0.691 -3.314 55 HA2 GLY 8 1HA GLY 8 -14.796 1.668 -4.306 56 HA3 GLY 8 2HA GLY 8 -16.108 2.601 -3.613 57 H PHE 9 HN PHE 9 -15.832 0.589 -1.154 58 HA PHE 9 HA PHE 9 -14.152 2.359 0.326 59 HB2 PHE 9 2HB PHE 9 -16.301 0.585 0.759 60 HB3 PHE 9 3HB PHE 9 -14.955 -0.296 1.455 61 HD1 PHE 9 1HD PHE 9 -13.623 0.768 3.301 62 HD2 PHE 9 2HD PHE 9 -17.254 2.442 1.881 63 HE1 PHE 9 1HE PHE 9 -13.817 2.129 5.401 64 HE2 PHE 9 2HE PHE 9 -17.449 3.803 3.980 65 HZ PHE 9 HZ PHE 9 -15.727 3.630 5.716 66 H LEU 10 HN LEU 10 -13.910 -0.930 -1.078 67 HA LEU 10 HA LEU 10 -11.644 -1.749 0.324 68 HB2 LEU 10 2HB LEU 10 -12.471 -2.504 -2.481 69 HB3 LEU 10 3HB LEU 10 -11.409 -3.407 -1.419 70 HG LEU 10 HG LEU 10 -14.384 -2.959 -1.105 71 HD11 LEU 10 1HD1 LEU 10 -13.164 -4.808 -2.612 72 HD12 LEU 10 2HD1 LEU 10 -13.147 -5.660 -1.049 73 HD13 LEU 10 3HD1 LEU 10 -14.690 -5.109 -1.746 74 HD21 LEU 10 1HD2 LEU 10 -13.893 -2.885 1.109 75 HD22 LEU 10 2HD2 LEU 10 -13.870 -4.652 0.900 76 HD23 LEU 10 3HD2 LEU 10 -12.343 -3.738 0.914 77 H GLY 11 HN GLY 11 -12.092 0.746 -2.030 78 HA2 GLY 11 1HA GLY 11 -9.581 0.687 -3.313 79 HA3 GLY 11 2HA GLY 11 -10.664 2.056 -3.172 80 H ALA 12 HN ALA 12 -10.721 1.943 -0.162 81 HA ALA 12 HA ALA 12 -8.250 3.404 0.229 82 HB1 ALA 12 1HB ALA 12 -9.902 4.630 1.222 83 HB2 ALA 12 2HB ALA 12 -10.935 3.207 1.505 84 HB3 ALA 12 3HB ALA 12 -9.573 3.551 2.598 85 H ALA 13 HN ALA 13 -9.204 0.190 0.348 86 HA ALA 13 HA ALA 13 -7.616 -0.405 2.727 87 HB1 ALA 13 1HB ALA 13 -8.562 -2.694 2.409 88 HB2 ALA 13 2HB ALA 13 -9.820 -1.448 2.585 89 HB3 ALA 13 3HB ALA 13 -9.438 -2.105 0.976 90 H GLY 14 HN GLY 14 -7.551 -0.375 -0.784 91 HA2 GLY 14 1HA GLY 14 -5.260 -2.194 -0.887 92 HA3 GLY 14 2HA GLY 14 -6.156 -1.531 -2.239 93 H SER 15 HN SER 15 -5.580 0.896 0.122 94 HA SER 15 HA SER 15 -3.224 1.747 -1.375 95 HB2 SER 15 2HB SER 15 -5.668 3.247 -0.458 96 HB3 SER 15 3HB SER 15 -4.143 4.111 -0.473 97 HG SER 15 HG SER 15 -4.252 4.252 -2.603 98 H LYS 16 HN LYS 16 -3.767 0.171 1.276 99 HA LYS 16 HA LYS 16 -3.007 1.864 3.390 100 HB2 LYS 16 2HB LYS 16 -3.596 -0.954 2.957 101 HB3 LYS 16 3HB LYS 16 -2.245 -0.749 4.054 102 HG2 LYS 16 2HG LYS 16 -4.843 0.819 4.358 103 HG3 LYS 16 3HG LYS 16 -4.597 -0.743 5.115 104 HD2 LYS 16 2HD LYS 16 -2.312 0.457 5.945 105 HD3 LYS 16 3HD LYS 16 -3.288 1.897 5.729 106 HE2 LYS 16 2HE LYS 16 -3.447 0.966 8.055 107 HE3 LYS 16 3HE LYS 16 -5.005 1.045 7.258 108 HZ1 LYS 16 1HZ LYS 16 -3.333 -1.379 7.607 109 HZ2 LYS 16 2HZ LYS 16 -4.809 -1.109 8.238 110 H LYS 17 HN LYS 17 -1.191 -0.215 1.078 111 HA LYS 17 HA LYS 17 1.206 1.258 1.858 112 HB2 LYS 17 2HB LYS 17 0.736 -1.649 2.193 113 HB3 LYS 17 3HB LYS 17 2.255 -1.219 1.434 114 HG2 LYS 17 2HG LYS 17 2.672 0.417 3.338 115 HG3 LYS 17 3HG LYS 17 1.220 -0.181 4.114 116 HD2 LYS 17 2HD LYS 17 2.619 -2.532 3.494 117 HD3 LYS 17 3HD LYS 17 3.896 -1.418 3.938 118 HE2 LYS 17 2HE LYS 17 3.187 -1.249 6.141 119 HE3 LYS 17 3HE LYS 17 1.492 -1.407 5.725 120 HZ1 LYS 17 1HZ LYS 17 1.607 -3.617 6.069 121 HZ2 LYS 17 2HZ LYS 17 2.931 -3.807 5.141 122 H21 ACA 18 1HA ACA 18 5.783 -3.109 -1.905 123 H22 ACA 18 2HA ACA 18 5.087 -2.145 -3.193 124 H31 ACA 18 2HB ACA 18 6.517 -0.175 -2.265 125 H32 ACA 18 3HB ACA 18 6.782 -1.179 -0.853 126 H41 ACA 18 2HG ACA 18 4.831 0.405 -0.609 127 H42 ACA 18 3HG ACA 18 4.400 -1.275 -0.364 128 H51 ACA 18 2HD ACA 18 3.210 -1.419 -2.374 129 H52 ACA 18 3HD ACA 18 4.178 -0.192 -3.165 130 H61 ACA 18 2HE ACA 18 3.150 1.541 -2.087 131 H62 ACA 18 3HE ACA 18 1.390 0.500 -2.777 132 HN61 ACA 18 HN ACA 18 3.043 0.564 0.153 133 H LYS 19 HN LYS 19 6.289 -3.332 -4.983 134 HA LYS 19 HA LYS 19 8.323 -4.659 -3.365 135 HB2 LYS 19 2HB LYS 19 6.220 -5.557 -5.297 136 HB3 LYS 19 3HB LYS 19 7.665 -6.535 -5.133 137 HG2 LYS 19 2HG LYS 19 7.208 -7.110 -2.922 138 HG3 LYS 19 3HG LYS 19 6.382 -5.603 -2.581 139 HD2 LYS 19 2HD LYS 19 4.391 -6.326 -3.791 140 HD3 LYS 19 3HD LYS 19 5.218 -7.733 -4.429 141 HE2 LYS 19 2HE LYS 19 3.635 -7.954 -2.299 142 HE3 LYS 19 3HE LYS 19 5.104 -8.901 -2.411 143 HZ1 LYS 19 1HZ LYS 19 4.511 -7.198 -0.379 144 HZ2 LYS 19 2HZ LYS 19 6.006 -7.761 -0.699 145 H ASN 20 HN ASN 20 7.595 -4.075 -6.883 146 HA ASN 20 HA ASN 20 10.384 -4.413 -7.435 147 HB2 ASN 20 2HB ASN 20 7.906 -4.623 -8.901 148 HB3 ASN 20 3HB ASN 20 8.878 -3.410 -9.709 149 HD21 ASN 20 1HD2 ASN 20 10.824 -3.936 -10.643 150 HD22 ASN 20 2HD2 ASN 20 11.337 -5.563 -10.944 151 H GLU 21 HN GLU 21 11.712 -2.691 -8.419 152 HA GLU 21 HA GLU 21 11.185 -0.168 -7.337 153 HB2 GLU 21 2HB GLU 21 13.419 -0.088 -7.643 154 HB3 GLU 21 3HB GLU 21 13.365 -1.530 -8.636 155 HG2 GLU 21 2HG GLU 21 12.749 -0.108 -10.623 156 HG3 GLU 21 3HG GLU 21 12.882 1.322 -9.618 157 HE2 GLU 21 2HE GLU 21 14.838 -0.324 -11.773 158 H GLN 22 HN GLN 22 10.000 -1.750 -10.137 159 HA GLN 22 HA GLN 22 9.954 0.279 -11.983 160 HB2 GLN 22 2HB GLN 22 7.684 -1.708 -11.637 161 HB3 GLN 22 3HB GLN 22 8.293 -1.013 -13.126 162 HG2 GLN 22 2HG GLN 22 10.545 -2.266 -11.936 163 HG3 GLN 22 3HG GLN 22 9.221 -3.385 -11.679 164 HE21 GLN 22 1HE2 GLN 22 9.951 -4.892 -13.112 165 HE22 GLN 22 2HE2 GLN 22 9.941 -4.688 -14.832 166 H GLU 23 HN GLU 23 8.074 -0.212 -9.032 167 HA GLU 23 HA GLU 23 5.931 1.439 -9.731 168 HB2 GLU 23 2HB GLU 23 5.958 -0.255 -7.861 169 HB3 GLU 23 3HB GLU 23 7.010 0.808 -6.949 170 HG2 GLU 23 2HG GLU 23 5.303 2.230 -6.387 171 HG3 GLU 23 3HG GLU 23 4.603 2.185 -7.993 172 HE2 GLU 23 2HE GLU 23 4.396 -0.800 -5.532 173 H LEU 24 HN LEU 24 9.239 2.058 -8.775 174 HA LEU 24 HA LEU 24 9.070 4.452 -7.469 175 HB2 LEU 24 2HB LEU 24 11.086 3.445 -9.476 176 HB3 LEU 24 3HB LEU 24 11.304 4.912 -8.542 177 HG LEU 24 HG LEU 24 11.718 2.130 -7.783 178 HD11 LEU 24 1HD1 LEU 24 13.144 3.173 -6.065 179 HD12 LEU 24 2HD1 LEU 24 13.464 3.812 -7.694 180 HD13 LEU 24 3HD1 LEU 24 12.518 4.773 -6.531 181 HD21 LEU 24 1HD2 LEU 24 9.573 2.351 -6.658 182 HD22 LEU 24 2HD2 LEU 24 10.899 2.307 -5.472 183 HD23 LEU 24 3HD2 LEU 24 10.114 3.854 -5.874 184 H LEU 25 HN LEU 25 8.249 3.672 -10.796 185 HA LEU 25 HA LEU 25 8.445 6.352 -11.744 186 HB2 LEU 25 2HB LEU 25 8.415 3.953 -12.933 187 HB3 LEU 25 3HB LEU 25 6.715 4.347 -13.088 188 HG LEU 25 HG LEU 25 8.435 6.574 -13.879 189 HD11 LEU 25 1HD1 LEU 25 8.683 3.992 -15.448 190 HD12 LEU 25 2HD1 LEU 25 9.306 5.587 -15.933 191 HD13 LEU 25 3HD1 LEU 25 9.973 4.770 -14.499 192 HD21 LEU 25 1HD2 LEU 25 6.064 5.084 -14.944 193 HD22 LEU 25 2HD2 LEU 25 6.250 6.809 -14.550 194 HD23 LEU 25 3HD2 LEU 25 6.990 6.150 -16.028 195 H GLU 26 HN GLU 26 5.880 4.243 -10.374 196 HA GLU 26 HA GLU 26 3.885 6.207 -10.850 197 HB2 GLU 26 2HB GLU 26 3.911 3.466 -10.290 198 HB3 GLU 26 3HB GLU 26 3.264 4.162 -8.817 199 HG2 GLU 26 2HG GLU 26 1.881 5.605 -10.726 200 HG3 GLU 26 3HG GLU 26 2.076 4.070 -11.549 201 HE2 GLU 26 2HE GLU 26 -0.073 2.378 -9.447 202 H LEU 27 HN LEU 27 6.256 5.508 -8.362 203 HA LEU 27 HA LEU 27 4.976 6.569 -6.139 204 HB2 LEU 27 2HB LEU 27 7.360 5.383 -6.660 205 HB3 LEU 27 3HB LEU 27 7.880 7.038 -6.412 206 HG LEU 27 HG LEU 27 8.049 5.807 -4.346 207 HD11 LEU 27 1HD1 LEU 27 5.985 7.201 -3.152 208 HD12 LEU 27 2HD1 LEU 27 7.617 7.824 -3.496 209 HD13 LEU 27 3HD1 LEU 27 6.290 8.122 -4.644 210 HD21 LEU 27 1HD2 LEU 27 5.594 5.212 -3.362 211 HD22 LEU 27 2HD2 LEU 27 5.354 4.852 -5.088 212 HD23 LEU 27 3HD2 LEU 27 6.659 4.046 -4.185 213 H ASP 28 HN ASP 28 7.054 8.159 -8.646 214 HA ASP 28 HA ASP 28 6.654 10.693 -7.447 215 HB2 ASP 28 2HB ASP 28 8.527 9.668 -9.142 216 HB3 ASP 28 3HB ASP 28 7.493 10.449 -10.322 217 HD2 ASP 28 2HD ASP 28 9.433 13.077 -10.013 218 H LYS 29 HN LYS 29 4.894 8.596 -9.579 219 HA LYS 29 HA LYS 29 3.624 10.610 -11.142 220 HB2 LYS 29 2HB LYS 29 4.019 8.102 -11.675 221 HB3 LYS 29 3HB LYS 29 2.589 7.812 -10.706 222 HG2 LYS 29 2HG LYS 29 2.543 9.898 -12.913 223 HG3 LYS 29 3HG LYS 29 2.322 8.201 -13.295 224 HD2 LYS 29 2HD LYS 29 0.597 8.521 -11.139 225 HD3 LYS 29 3HD LYS 29 0.477 10.084 -11.922 226 HE2 LYS 29 2HE LYS 29 -0.346 9.163 -13.945 227 HE3 LYS 29 3HE LYS 29 0.318 7.576 -13.614 228 HZ1 LYS 29 1HZ LYS 29 -1.883 8.765 -12.013 229 HZ2 LYS 29 2HZ LYS 29 -2.135 7.752 -13.263 230 H TRP 30 HN TRP 30 2.890 8.798 -8.124 231 HA TRP 30 HA TRP 30 0.323 10.108 -7.907 232 HB2 TRP 30 2HB TRP 30 -0.099 8.688 -6.116 233 HB3 TRP 30 3HB TRP 30 0.798 7.707 -7.258 234 HD1 TRP 30 1HD TRP 30 2.969 6.542 -6.313 235 HE1 TRP 30 1HE TRP 30 4.370 6.553 -4.078 236 HE3 TRP 30 3HE TRP 30 0.544 10.478 -4.196 237 HZ2 TRP 30 2HZ TRP 30 4.309 8.171 -1.727 238 HZ3 TRP 30 3HZ TRP 30 1.277 11.210 -1.928 239 HH2 TRP 30 2HH TRP 30 3.090 10.124 -0.700 240 H ALA 31 HN ALA 31 3.589 10.093 -6.349 241 HA ALA 31 HA ALA 31 3.048 11.903 -4.330 242 HB1 ALA 31 1HB ALA 31 5.096 10.468 -4.628 243 HB2 ALA 31 2HB ALA 31 5.640 11.595 -5.894 244 HB3 ALA 31 3HB ALA 31 5.454 12.162 -4.218 245 H SER 32 HN SER 32 3.245 12.332 -7.798 246 HA SER 32 HA SER 32 4.115 14.918 -7.950 247 HB2 SER 32 2HB SER 32 3.323 13.083 -9.759 248 HB3 SER 32 3HB SER 32 1.856 14.042 -9.734 249 HG SER 32 HG SER 32 4.533 14.918 -10.382 250 H LEU 33 HN LEU 33 1.024 13.574 -6.852 251 HA LEU 33 HA LEU 33 -0.709 15.631 -7.204 252 HB2 LEU 33 2HB LEU 33 -2.032 14.432 -5.889 253 HB3 LEU 33 3HB LEU 33 -0.735 13.255 -5.915 254 HG LEU 33 HG LEU 33 -0.904 15.386 -3.781 255 HD11 LEU 33 1HD1 LEU 33 -2.784 13.298 -4.193 256 HD12 LEU 33 2HD1 LEU 33 -1.788 12.857 -2.785 257 HD13 LEU 33 3HD1 LEU 33 -2.646 14.416 -2.815 258 HD21 LEU 33 1HD2 LEU 33 0.711 12.917 -4.238 259 HD22 LEU 33 2HD2 LEU 33 1.189 14.498 -3.575 260 HD23 LEU 33 3HD2 LEU 33 0.279 13.349 -2.566 261 H TRP 34 HN TRP 34 2.138 15.491 -5.114 262 HA TRP 34 HA TRP 34 1.387 17.663 -3.454 263 HB2 TRP 34 2HB TRP 34 4.101 16.482 -4.068 264 HB3 TRP 34 3HB TRP 34 3.766 17.648 -2.803 265 HD1 TRP 34 1HD TRP 34 4.322 14.111 -3.014 266 HE1 TRP 34 1HE TRP 34 3.215 12.676 -1.096 267 HE3 TRP 34 3HE TRP 34 1.092 17.717 -1.462 268 HZ2 TRP 34 2HZ TRP 34 1.158 13.199 0.812 269 HZ3 TRP 34 3HZ TRP 34 -0.432 17.174 0.435 270 HH2 TRP 34 2HH TRP 34 -0.434 15.005 1.562 271 H ASN 35 HN ASN 35 3.527 17.267 -6.363 272 HA ASN 35 HA ASN 35 2.746 19.781 -7.332 273 HB2 ASN 35 2HB ASN 35 5.517 20.272 -7.258 274 HB3 ASN 35 3HB ASN 35 4.309 21.087 -6.284 275 HD21 ASN 35 1HD2 ASN 35 5.702 17.805 -6.315 276 HD22 ASN 35 2HD2 ASN 35 6.188 17.757 -4.654 Start of MODEL 12 1 H1 GLY 1 HN GLY 1 -26.403 0.534 -6.043 2 HA2 GLY 1 1HA GLY 1 -27.934 -0.968 -4.070 3 HA3 GLY 1 2HA GLY 1 -26.618 -1.825 -4.849 4 H ILE 2 HN ILE 2 -27.301 -0.303 -2.064 5 HA ILE 2 HA ILE 2 -25.381 1.648 -1.705 6 HB ILE 2 HB ILE 2 -26.790 -0.270 0.120 7 HG12 ILE 2 2HG1 ILE 2 -26.929 2.722 0.245 8 HG13 ILE 2 3HG1 ILE 2 -27.750 1.895 -1.063 9 HG21 ILE 2 1HG2 ILE 2 -25.786 1.391 1.930 10 HG22 ILE 2 2HG2 ILE 2 -24.948 -0.103 1.451 11 HG23 ILE 2 3HG2 ILE 2 -24.444 1.459 0.762 12 HD11 ILE 2 1HD1 ILE 2 -28.441 0.358 1.171 13 HD12 ILE 2 2HD1 ILE 2 -28.447 2.025 1.794 14 HD13 ILE 2 3HD1 ILE 2 -29.465 1.593 0.399 15 H GLY 3 HN GLY 3 -25.098 -1.871 -1.929 16 HA2 GLY 3 1HA GLY 3 -22.694 -2.308 -0.625 17 HA3 GLY 3 2HA GLY 3 -23.298 -3.215 -1.997 18 H ALA 4 HN ALA 4 -23.384 -0.846 -3.825 19 HA ALA 4 HA ALA 4 -20.865 -1.096 -4.949 20 HB1 ALA 4 1HB ALA 4 -22.378 1.419 -5.450 21 HB2 ALA 4 2HB ALA 4 -21.760 0.206 -6.597 22 HB3 ALA 4 3HB ALA 4 -23.277 -0.095 -5.715 23 H LEU 5 HN LEU 5 -22.061 0.932 -2.323 24 HA LEU 5 HA LEU 5 -19.979 2.862 -2.506 25 HB2 LEU 5 2HB LEU 5 -22.402 2.731 -1.282 26 HB3 LEU 5 3HB LEU 5 -21.338 2.426 0.076 27 HG LEU 5 HG LEU 5 -20.074 4.539 -0.610 28 HD11 LEU 5 1HD1 LEU 5 -22.032 6.052 -1.796 29 HD12 LEU 5 2HD1 LEU 5 -20.618 5.354 -2.620 30 HD13 LEU 5 3HD1 LEU 5 -22.179 4.500 -2.654 31 HD21 LEU 5 1HD2 LEU 5 -21.527 4.420 1.349 32 HD22 LEU 5 2HD2 LEU 5 -21.652 6.006 0.549 33 HD23 LEU 5 3HD2 LEU 5 -22.941 4.797 0.336 34 H PHE 6 HN PHE 6 -20.537 -0.192 -0.684 35 HA PHE 6 HA PHE 6 -18.262 0.044 0.935 36 HB2 PHE 6 2HB PHE 6 -20.026 -1.529 1.494 37 HB3 PHE 6 3HB PHE 6 -20.067 -2.181 -0.133 38 HD1 PHE 6 1HD PHE 6 -18.656 -2.498 3.151 39 HD2 PHE 6 2HD PHE 6 -18.135 -3.620 -0.908 40 HE1 PHE 6 1HE PHE 6 -17.141 -4.369 3.862 41 HE2 PHE 6 2HE PHE 6 -16.622 -5.492 -0.196 42 HZ PHE 6 HZ PHE 6 -16.142 -5.844 2.180 43 H LEU 7 HN LEU 7 -18.846 -1.522 -2.272 44 HA LEU 7 HA LEU 7 -16.371 -2.760 -2.490 45 HB2 LEU 7 2HB LEU 7 -18.558 -1.942 -4.311 46 HB3 LEU 7 3HB LEU 7 -16.999 -2.227 -5.058 47 HG LEU 7 HG LEU 7 -18.176 -4.259 -5.218 48 HD11 LEU 7 1HD1 LEU 7 -16.523 -4.796 -2.760 49 HD12 LEU 7 2HD1 LEU 7 -16.730 -5.787 -4.225 50 HD13 LEU 7 3HD1 LEU 7 -15.765 -4.294 -4.291 51 HD21 LEU 7 1HD2 LEU 7 -18.782 -5.119 -2.610 52 HD22 LEU 7 2HD2 LEU 7 -19.358 -3.439 -2.718 53 HD23 LEU 7 3HD2 LEU 7 -19.917 -4.648 -3.898 54 H GLY 8 HN GLY 8 -17.452 0.572 -3.353 55 HA2 GLY 8 1HA GLY 8 -14.988 1.348 -4.523 56 HA3 GLY 8 2HA GLY 8 -16.284 2.394 -3.978 57 H PHE 9 HN PHE 9 -15.887 0.664 -1.263 58 HA PHE 9 HA PHE 9 -14.216 2.677 -0.082 59 HB2 PHE 9 2HB PHE 9 -16.384 1.087 0.666 60 HB3 PHE 9 3HB PHE 9 -15.065 0.193 1.395 61 HD1 PHE 9 1HD PHE 9 -13.635 1.288 3.112 62 HD2 PHE 9 2HD PHE 9 -17.116 3.168 1.576 63 HE1 PHE 9 1HE PHE 9 -13.645 2.865 5.064 64 HE2 PHE 9 2HE PHE 9 -17.126 4.746 3.528 65 HZ PHE 9 HZ PHE 9 -15.390 4.575 5.249 66 H LEU 10 HN LEU 10 -13.788 -0.467 -1.495 67 HA LEU 10 HA LEU 10 -11.647 -1.328 0.147 68 HB2 LEU 10 2HB LEU 10 -12.511 -2.120 -2.637 69 HB3 LEU 10 3HB LEU 10 -11.261 -2.932 -1.715 70 HG LEU 10 HG LEU 10 -14.197 -2.744 -0.995 71 HD11 LEU 10 1HD1 LEU 10 -14.500 -4.742 -1.944 72 HD12 LEU 10 2HD1 LEU 10 -12.962 -4.433 -2.784 73 HD13 LEU 10 3HD1 LEU 10 -12.979 -5.391 -1.284 74 HD21 LEU 10 1HD2 LEU 10 -11.872 -3.925 0.537 75 HD22 LEU 10 2HD2 LEU 10 -13.017 -2.670 1.065 76 HD23 LEU 10 3HD2 LEU 10 -13.573 -4.346 0.850 77 H GLY 11 HN GLY 11 -11.989 1.152 -2.221 78 HA2 GLY 11 1HA GLY 11 -9.499 1.115 -3.484 79 HA3 GLY 11 2HA GLY 11 -10.515 2.519 -3.222 80 H ALA 12 HN ALA 12 -10.507 2.146 -0.216 81 HA ALA 12 HA ALA 12 -8.007 3.528 0.227 82 HB1 ALA 12 1HB ALA 12 -10.603 3.117 1.676 83 HB2 ALA 12 2HB ALA 12 -9.160 3.522 2.637 84 HB3 ALA 12 3HB ALA 12 -9.707 4.619 1.346 85 H ALA 13 HN ALA 13 -9.389 0.325 0.549 86 HA ALA 13 HA ALA 13 -7.547 -0.498 2.599 87 HB1 ALA 13 1HB ALA 13 -8.743 -2.499 2.580 88 HB2 ALA 13 2HB ALA 13 -9.980 -1.339 2.035 89 HB3 ALA 13 3HB ALA 13 -9.139 -2.367 0.850 90 H GLY 14 HN GLY 14 -7.363 0.161 -0.739 91 HA2 GLY 14 1HA GLY 14 -5.481 -1.960 -1.375 92 HA3 GLY 14 2HA GLY 14 -6.061 -0.686 -2.430 93 H SER 15 HN SER 15 -5.143 0.526 0.673 94 HA SER 15 HA SER 15 -2.825 1.714 -0.544 95 HB2 SER 15 2HB SER 15 -4.660 2.347 1.680 96 HB3 SER 15 3HB SER 15 -2.982 2.647 2.089 97 HG SER 15 HG SER 15 -3.695 4.538 1.131 98 H LYS 16 HN LYS 16 -3.153 -1.238 0.483 99 HA LYS 16 HA LYS 16 -1.574 -1.563 2.748 100 HB2 LYS 16 2HB LYS 16 -3.024 -3.187 1.038 101 HB3 LYS 16 3HB LYS 16 -1.375 -3.711 0.758 102 HG2 LYS 16 2HG LYS 16 -1.335 -3.521 3.489 103 HG3 LYS 16 3HG LYS 16 -3.031 -3.892 3.247 104 HD2 LYS 16 2HD LYS 16 -2.422 -5.902 1.910 105 HD3 LYS 16 3HD LYS 16 -0.721 -5.519 2.082 106 HE2 LYS 16 2HE LYS 16 -1.441 -7.253 3.723 107 HE3 LYS 16 3HE LYS 16 -0.847 -5.814 4.527 108 HZ1 LYS 16 1HZ LYS 16 -3.729 -6.350 4.036 109 HZ2 LYS 16 2HZ LYS 16 -2.979 -6.628 5.455 110 H LYS 17 HN LYS 17 -0.771 -0.516 -0.460 111 HA LYS 17 HA LYS 17 2.009 -1.314 -0.145 112 HB2 LYS 17 2HB LYS 17 0.313 -0.314 -2.409 113 HB3 LYS 17 3HB LYS 17 2.048 -0.077 -2.480 114 HG2 LYS 17 2HG LYS 17 1.330 -2.805 -1.605 115 HG3 LYS 17 3HG LYS 17 0.670 -2.419 -3.182 116 HD2 LYS 17 2HD LYS 17 3.598 -1.984 -2.429 117 HD3 LYS 17 3HD LYS 17 3.008 -3.435 -3.218 118 HE2 LYS 17 2HE LYS 17 2.402 -0.712 -4.417 119 HE3 LYS 17 3HE LYS 17 3.967 -1.453 -4.684 120 HZ1 LYS 17 1HZ LYS 17 2.830 -3.401 -5.609 121 HZ2 LYS 17 2HZ LYS 17 1.368 -2.738 -5.337 122 H21 ACA 18 1HA ACA 18 7.091 1.950 -1.006 123 H22 ACA 18 2HA ACA 18 7.909 2.318 0.498 124 H31 ACA 18 2HB ACA 18 7.110 -0.158 1.159 125 H32 ACA 18 3HB ACA 18 5.915 0.125 -0.090 126 H41 ACA 18 2HG ACA 18 6.406 2.120 2.162 127 H42 ACA 18 3HG ACA 18 5.264 0.801 2.319 128 H51 ACA 18 2HD ACA 18 4.716 2.041 -0.203 129 H52 ACA 18 3HD ACA 18 4.929 3.344 0.949 130 H61 ACA 18 2HE ACA 18 3.483 1.891 2.489 131 H62 ACA 18 3HE ACA 18 2.336 3.187 1.201 132 HN61 ACA 18 HN ACA 18 3.170 -0.053 1.221 133 H LYS 19 HN LYS 19 8.039 0.159 -2.435 134 HA LYS 19 HA LYS 19 8.789 -1.777 -0.374 135 HB2 LYS 19 2HB LYS 19 6.554 -1.669 -1.929 136 HB3 LYS 19 3HB LYS 19 7.569 -2.708 -2.907 137 HG2 LYS 19 2HG LYS 19 6.801 -4.374 -1.536 138 HG3 LYS 19 3HG LYS 19 8.030 -3.795 -0.429 139 HD2 LYS 19 2HD LYS 19 6.457 -2.503 0.835 140 HD3 LYS 19 3HD LYS 19 5.251 -2.565 -0.436 141 HE2 LYS 19 2HE LYS 19 5.903 -5.283 0.280 142 HE3 LYS 19 3HE LYS 19 5.624 -4.396 1.765 143 HZ1 LYS 19 1HZ LYS 19 3.543 -5.266 0.865 144 HZ2 LYS 19 2HZ LYS 19 3.491 -3.638 0.836 145 H ASN 20 HN ASN 20 9.244 -1.065 -3.907 146 HA ASN 20 HA ASN 20 11.742 -2.546 -3.683 147 HB2 ASN 20 2HB ASN 20 11.471 -2.341 -6.352 148 HB3 ASN 20 3HB ASN 20 10.640 -3.600 -5.460 149 HD21 ASN 20 1HD2 ASN 20 10.258 -0.182 -6.382 150 HD22 ASN 20 2HD2 ASN 20 8.569 -0.244 -6.766 151 H GLU 21 HN GLU 21 13.692 -1.485 -4.394 152 HA GLU 21 HA GLU 21 13.736 1.262 -4.156 153 HB2 GLU 21 2HB GLU 21 15.900 0.689 -3.871 154 HB3 GLU 21 3HB GLU 21 15.620 -0.890 -4.576 155 HG2 GLU 21 2HG GLU 21 15.868 0.100 -6.869 156 HG3 GLU 21 3HG GLU 21 16.173 1.669 -6.152 157 HE2 GLU 21 2HE GLU 21 17.370 -1.362 -6.751 158 H GLN 22 HN GLN 22 12.735 -0.715 -6.790 159 HA GLN 22 HA GLN 22 13.621 0.698 -8.960 160 HB2 GLN 22 2HB GLN 22 12.346 -0.806 -10.076 161 HB3 GLN 22 3HB GLN 22 11.937 -1.468 -8.505 162 HG2 GLN 22 2HG GLN 22 9.823 -1.054 -9.504 163 HG3 GLN 22 3HG GLN 22 10.042 0.309 -8.423 164 HE21 GLN 22 1HE2 GLN 22 11.182 -0.591 -11.681 165 HE22 GLN 22 2HE2 GLN 22 10.729 0.875 -12.485 166 H GLU 23 HN GLU 23 11.152 1.487 -6.558 167 HA GLU 23 HA GLU 23 9.768 3.349 -8.121 168 HB2 GLU 23 2HB GLU 23 9.008 2.224 -5.945 169 HB3 GLU 23 3HB GLU 23 10.031 3.358 -5.087 170 HG2 GLU 23 2HG GLU 23 8.242 4.624 -7.100 171 HG3 GLU 23 3HG GLU 23 7.391 3.823 -5.794 172 HE2 GLU 23 2HE GLU 23 7.257 6.412 -5.981 173 H LEU 24 HN LEU 24 12.817 3.415 -6.359 174 HA LEU 24 HA LEU 24 13.133 6.013 -5.681 175 HB2 LEU 24 2HB LEU 24 15.106 4.090 -6.911 176 HB3 LEU 24 3HB LEU 24 15.560 5.645 -6.244 177 HG LEU 24 HG LEU 24 15.006 3.119 -4.901 178 HD11 LEU 24 1HD1 LEU 24 16.326 5.715 -4.069 179 HD12 LEU 24 2HD1 LEU 24 16.306 4.228 -3.091 180 HD13 LEU 24 3HD1 LEU 24 17.119 4.241 -4.674 181 HD21 LEU 24 1HD2 LEU 24 13.651 5.593 -3.795 182 HD22 LEU 24 2HD2 LEU 24 12.851 4.119 -4.390 183 HD23 LEU 24 3HD2 LEU 24 13.869 4.053 -2.932 184 H LEU 25 HN LEU 25 13.859 4.599 -8.951 185 HA LEU 25 HA LEU 25 14.478 7.022 -10.148 186 HB2 LEU 25 2HB LEU 25 14.735 4.528 -10.895 187 HB3 LEU 25 3HB LEU 25 13.171 4.782 -11.644 188 HG LEU 25 HG LEU 25 14.894 6.972 -12.348 189 HD11 LEU 25 1HD1 LEU 25 16.062 4.234 -12.917 190 HD12 LEU 25 2HD1 LEU 25 16.625 5.776 -13.604 191 HD13 LEU 25 3HD1 LEU 25 16.760 5.480 -11.854 192 HD21 LEU 25 1HD2 LEU 25 13.232 6.639 -13.863 193 HD22 LEU 25 2HD2 LEU 25 14.517 5.705 -14.664 194 HD23 LEU 25 3HD2 LEU 25 13.276 4.868 -13.699 195 H GLU 26 HN GLU 26 11.375 5.525 -9.309 196 HA GLU 26 HA GLU 26 9.901 7.266 -11.003 197 HB2 GLU 26 2HB GLU 26 9.300 5.098 -9.034 198 HB3 GLU 26 3HB GLU 26 8.039 6.293 -9.258 199 HG2 GLU 26 2HG GLU 26 8.922 5.720 -11.881 200 HG3 GLU 26 3HG GLU 26 8.925 4.163 -11.077 201 HE2 GLU 26 2HE GLU 26 5.618 4.127 -12.026 202 H LEU 27 HN LEU 27 11.278 7.378 -7.780 203 HA LEU 27 HA LEU 27 9.507 9.201 -6.608 204 HB2 LEU 27 2HB LEU 27 11.292 7.739 -5.539 205 HB3 LEU 27 3HB LEU 27 12.457 8.949 -6.040 206 HG LEU 27 HG LEU 27 10.061 9.689 -4.362 207 HD11 LEU 27 1HD1 LEU 27 12.749 8.772 -3.306 208 HD12 LEU 27 2HD1 LEU 27 11.383 9.392 -2.348 209 HD13 LEU 27 3HD1 LEU 27 11.230 7.847 -3.220 210 HD21 LEU 27 1HD2 LEU 27 12.385 11.187 -3.740 211 HD22 LEU 27 2HD2 LEU 27 12.262 11.113 -5.514 212 HD23 LEU 27 3HD2 LEU 27 10.899 11.732 -4.552 213 H ASP 28 HN ASP 28 12.400 9.594 -8.708 214 HA ASP 28 HA ASP 28 12.266 12.427 -8.456 215 HB2 ASP 28 2HB ASP 28 14.146 10.477 -9.384 216 HB3 ASP 28 3HB ASP 28 13.796 11.508 -10.758 217 HD2 ASP 28 2HD ASP 28 16.420 11.617 -9.118 218 H LYS 29 HN LYS 29 11.231 9.824 -10.683 219 HA LYS 29 HA LYS 29 10.709 11.362 -12.940 220 HB2 LYS 29 2HB LYS 29 10.118 9.385 -13.785 221 HB3 LYS 29 3HB LYS 29 10.557 8.696 -12.236 222 HG2 LYS 29 2HG LYS 29 8.237 8.951 -11.417 223 HG3 LYS 29 3HG LYS 29 7.773 9.764 -12.899 224 HD2 LYS 29 2HD LYS 29 9.069 7.112 -13.310 225 HD3 LYS 29 3HD LYS 29 7.538 7.043 -12.459 226 HE2 LYS 29 2HE LYS 29 6.322 7.898 -14.278 227 HE3 LYS 29 3HE LYS 29 7.695 8.769 -14.929 228 HZ1 LYS 29 1HZ LYS 29 6.829 6.257 -15.704 229 HZ2 LYS 29 2HZ LYS 29 8.194 6.998 -16.196 230 H TRP 30 HN TRP 30 8.633 10.508 -10.103 231 HA TRP 30 HA TRP 30 6.438 12.030 -11.122 232 HB2 TRP 30 2HB TRP 30 5.257 11.270 -9.306 233 HB3 TRP 30 3HB TRP 30 6.393 9.967 -9.590 234 HD1 TRP 30 1HD TRP 30 7.697 9.194 -7.458 235 HE1 TRP 30 1HE TRP 30 8.229 10.095 -5.035 236 HE3 TRP 30 3HE TRP 30 5.624 13.786 -8.142 237 HZ2 TRP 30 2HZ TRP 30 7.733 12.572 -3.706 238 HZ3 TRP 30 3HZ TRP 30 5.689 15.386 -6.231 239 HH2 TRP 30 2HH TRP 30 6.698 14.842 -4.073 240 H ALA 31 HN ALA 31 8.894 12.371 -8.464 241 HA ALA 31 HA ALA 31 8.070 14.840 -7.544 242 HB1 ALA 31 1HB ALA 31 9.672 13.391 -6.385 243 HB2 ALA 31 2HB ALA 31 10.856 13.619 -7.693 244 HB3 ALA 31 3HB ALA 31 10.392 14.995 -6.664 245 H SER 32 HN SER 32 9.517 13.935 -10.581 246 HA SER 32 HA SER 32 10.990 16.126 -11.204 247 HB2 SER 32 2HB SER 32 11.031 15.212 -13.297 248 HB3 SER 32 3HB SER 32 10.193 13.878 -12.531 249 HG SER 32 HG SER 32 9.250 14.942 -14.577 250 H LEU 33 HN LEU 33 7.503 15.805 -10.812 251 HA LEU 33 HA LEU 33 6.544 17.819 -12.398 252 HB2 LEU 33 2HB LEU 33 4.660 17.226 -11.432 253 HB3 LEU 33 3HB LEU 33 5.585 16.132 -10.422 254 HG LEU 33 HG LEU 33 5.023 19.009 -9.666 255 HD11 LEU 33 1HD1 LEU 33 3.321 16.590 -9.452 256 HD12 LEU 33 2HD1 LEU 33 3.427 17.619 -8.004 257 HD13 LEU 33 3HD1 LEU 33 2.877 18.311 -9.550 258 HD21 LEU 33 1HD2 LEU 33 5.389 17.325 -7.417 259 HD22 LEU 33 2HD2 LEU 33 6.706 16.971 -8.561 260 HD23 LEU 33 3HD2 LEU 33 6.438 18.640 -8.001 261 H TRP 34 HN TRP 34 8.304 17.998 -9.288 262 HA TRP 34 HA TRP 34 7.781 20.638 -8.659 263 HB2 TRP 34 2HB TRP 34 10.270 18.988 -8.186 264 HB3 TRP 34 3HB TRP 34 9.940 20.536 -7.433 265 HD1 TRP 34 1HD TRP 34 9.581 16.979 -6.675 266 HE1 TRP 34 1HE TRP 34 7.880 16.450 -4.729 267 HE3 TRP 34 3HE TRP 34 7.360 21.552 -6.667 268 HZ2 TRP 34 2HZ TRP 34 5.841 17.970 -3.435 269 HZ3 TRP 34 3HZ TRP 34 5.522 21.948 -5.030 270 HH2 TRP 34 2HH TRP 34 4.756 20.246 -3.451 271 H ASN 35 HN ASN 35 10.472 19.182 -10.628 272 HA ASN 35 HA ASN 35 11.091 21.849 -11.555 273 HB2 ASN 35 2HB ASN 35 13.166 20.863 -12.412 274 HB3 ASN 35 3HB ASN 35 12.932 20.286 -10.774 275 HD21 ASN 35 1HD2 ASN 35 13.011 18.201 -10.405 276 HD22 ASN 35 2HD2 ASN 35 12.895 16.928 -11.575 Start of MODEL 13 1 H1 GLY 1 HN GLY 1 -24.678 3.707 -4.634 2 HA2 GLY 1 1HA GLY 1 -26.867 2.380 -4.191 3 HA3 GLY 1 2HA GLY 1 -25.954 1.078 -4.927 4 H ILE 2 HN ILE 2 -26.344 0.092 -2.697 5 HA ILE 2 HA ILE 2 -24.809 1.235 -0.552 6 HB ILE 2 HB ILE 2 -26.409 -1.309 -0.825 7 HG12 ILE 2 2HG1 ILE 2 -27.105 1.053 0.903 8 HG13 ILE 2 3HG1 ILE 2 -27.483 1.080 -0.808 9 HG21 ILE 2 1HG2 ILE 2 -24.863 -0.196 1.519 10 HG22 ILE 2 2HG2 ILE 2 -26.220 -1.331 1.711 11 HG23 ILE 2 3HG2 ILE 2 -24.775 -1.819 0.795 12 HD11 ILE 2 1HD1 ILE 2 -28.343 -1.463 -0.052 13 HD12 ILE 2 2HD1 ILE 2 -28.746 -0.465 1.365 14 HD13 ILE 2 3HD1 ILE 2 -29.384 -0.032 -0.240 15 H GLY 3 HN GLY 3 -24.720 -1.870 -2.445 16 HA2 GLY 3 1HA GLY 3 -22.321 -2.821 -1.430 17 HA3 GLY 3 2HA GLY 3 -23.001 -3.205 -2.999 18 H ALA 4 HN ALA 4 -22.979 -0.615 -4.228 19 HA ALA 4 HA ALA 4 -20.370 -0.541 -5.193 20 HB1 ALA 4 1HB ALA 4 -21.804 1.979 -5.494 21 HB2 ALA 4 2HB ALA 4 -21.370 0.768 -6.725 22 HB3 ALA 4 3HB ALA 4 -22.875 0.588 -5.792 23 H LEU 5 HN LEU 5 -21.784 0.721 -2.272 24 HA LEU 5 HA LEU 5 -19.898 2.856 -1.970 25 HB2 LEU 5 2HB LEU 5 -22.361 2.332 -0.966 26 HB3 LEU 5 3HB LEU 5 -21.359 1.813 0.375 27 HG LEU 5 HG LEU 5 -22.172 4.184 0.484 28 HD11 LEU 5 1HD1 LEU 5 -20.277 3.412 1.818 29 HD12 LEU 5 2HD1 LEU 5 -19.166 3.794 0.481 30 HD13 LEU 5 3HD1 LEU 5 -20.055 5.100 1.300 31 HD21 LEU 5 1HD2 LEU 5 -20.105 5.280 -1.236 32 HD22 LEU 5 2HD2 LEU 5 -21.279 4.308 -2.153 33 HD23 LEU 5 3HD2 LEU 5 -21.841 5.662 -1.144 34 H PHE 6 HN PHE 6 -20.262 -0.549 -0.897 35 HA PHE 6 HA PHE 6 -18.048 -0.436 0.868 36 HB2 PHE 6 2HB PHE 6 -19.864 -2.107 1.071 37 HB3 PHE 6 3HB PHE 6 -19.635 -2.627 -0.586 38 HD1 PHE 6 1HD PHE 6 -17.669 -3.998 -1.194 39 HD2 PHE 6 2HD PHE 6 -18.481 -2.953 2.838 40 HE1 PHE 6 1HE PHE 6 -16.109 -5.803 -0.412 41 HE2 PHE 6 2HE PHE 6 -16.920 -4.756 3.620 42 HZ PHE 6 HZ PHE 6 -15.753 -6.160 1.985 43 H LEU 7 HN LEU 7 -18.535 -1.342 -2.577 44 HA LEU 7 HA LEU 7 -16.038 -2.531 -2.956 45 HB2 LEU 7 2HB LEU 7 -18.220 -1.452 -4.635 46 HB3 LEU 7 3HB LEU 7 -16.644 -1.540 -5.397 47 HG LEU 7 HG LEU 7 -18.132 -3.521 -5.773 48 HD11 LEU 7 1HD1 LEU 7 -16.343 -4.871 -6.041 49 HD12 LEU 7 2HD1 LEU 7 -15.445 -3.401 -5.591 50 HD13 LEU 7 3HD1 LEU 7 -15.780 -4.649 -4.366 51 HD21 LEU 7 1HD2 LEU 7 -18.566 -3.381 -3.037 52 HD22 LEU 7 2HD2 LEU 7 -19.053 -4.703 -4.126 53 HD23 LEU 7 3HD2 LEU 7 -17.517 -4.806 -3.231 54 H GLY 8 HN GLY 8 -17.176 0.876 -3.427 55 HA2 GLY 8 1HA GLY 8 -14.713 1.888 -4.328 56 HA3 GLY 8 2HA GLY 8 -16.033 2.801 -3.627 57 H PHE 9 HN PHE 9 -15.819 0.857 -1.158 58 HA PHE 9 HA PHE 9 -14.081 2.585 0.304 59 HB2 PHE 9 2HB PHE 9 -16.293 0.863 0.737 60 HB3 PHE 9 3HB PHE 9 -14.974 0.008 1.513 61 HD1 PHE 9 1HD PHE 9 -13.646 1.209 3.304 62 HD2 PHE 9 2HD PHE 9 -17.301 2.725 1.771 63 HE1 PHE 9 1HE PHE 9 -13.886 2.675 5.328 64 HE2 PHE 9 2HE PHE 9 -17.541 4.191 3.794 65 HZ PHE 9 HZ PHE 9 -15.831 4.149 5.548 66 H LEU 10 HN LEU 10 -13.875 -0.612 -1.223 67 HA LEU 10 HA LEU 10 -11.727 -1.604 0.270 68 HB2 LEU 10 2HB LEU 10 -12.443 -2.196 -2.602 69 HB3 LEU 10 3HB LEU 10 -11.470 -3.188 -1.535 70 HG LEU 10 HG LEU 10 -14.435 -2.625 -1.316 71 HD11 LEU 10 1HD1 LEU 10 -13.740 -4.288 -3.011 72 HD12 LEU 10 2HD1 LEU 10 -12.944 -5.231 -1.727 73 HD13 LEU 10 3HD1 LEU 10 -14.708 -4.997 -1.695 74 HD21 LEU 10 1HD2 LEU 10 -14.094 -4.462 0.583 75 HD22 LEU 10 2HD2 LEU 10 -12.506 -3.665 0.704 76 HD23 LEU 10 3HD2 LEU 10 -13.997 -2.715 0.915 77 H GLY 11 HN GLY 11 -11.977 0.798 -2.309 78 HA2 GLY 11 1HA GLY 11 -9.394 0.748 -3.329 79 HA3 GLY 11 2HA GLY 11 -10.444 2.147 -3.245 80 H ALA 12 HN ALA 12 -10.666 1.964 -0.224 81 HA ALA 12 HA ALA 12 -8.233 3.427 0.317 82 HB1 ALA 12 1HB ALA 12 -9.391 4.001 2.417 83 HB2 ALA 12 2HB ALA 12 -10.442 4.296 1.010 84 HB3 ALA 12 3HB ALA 12 -10.692 2.851 2.020 85 H ALA 13 HN ALA 13 -9.507 0.205 0.648 86 HA ALA 13 HA ALA 13 -7.889 -0.459 2.932 87 HB1 ALA 13 1HB ALA 13 -10.111 -1.490 2.477 88 HB2 ALA 13 2HB ALA 13 -9.447 -2.216 0.994 89 HB3 ALA 13 3HB ALA 13 -8.810 -2.699 2.584 90 H GLY 14 HN GLY 14 -7.786 -0.761 -0.644 91 HA2 GLY 14 1HA GLY 14 -5.274 -2.244 -0.504 92 HA3 GLY 14 2HA GLY 14 -6.227 -1.887 -1.931 93 H SER 15 HN SER 15 -5.576 0.673 0.441 94 HA SER 15 HA SER 15 -4.467 2.305 -1.518 95 HB2 SER 15 2HB SER 15 -5.285 3.659 0.126 96 HB3 SER 15 3HB SER 15 -5.063 2.446 1.372 97 HG SER 15 HG SER 15 -3.132 3.263 1.891 98 H LYS 16 HN LYS 16 -3.134 -0.199 0.515 99 HA LYS 16 HA LYS 16 -0.470 0.821 0.571 100 HB2 LYS 16 2HB LYS 16 -1.882 -1.655 1.447 101 HB3 LYS 16 3HB LYS 16 -0.157 -1.776 1.166 102 HG2 LYS 16 2HG LYS 16 0.049 0.385 2.615 103 HG3 LYS 16 3HG LYS 16 -1.606 0.073 3.099 104 HD2 LYS 16 2HD LYS 16 0.539 -2.076 3.315 105 HD3 LYS 16 3HD LYS 16 0.297 -0.898 4.590 106 HE2 LYS 16 2HE LYS 16 -2.064 -1.602 4.847 107 HE3 LYS 16 3HE LYS 16 -1.909 -2.709 3.497 108 HZ1 LYS 16 1HZ LYS 16 0.060 -3.075 5.602 109 HZ2 LYS 16 2HZ LYS 16 -1.469 -3.423 6.039 110 H LYS 17 HN LYS 17 -2.204 -1.763 -1.294 111 HA LYS 17 HA LYS 17 -0.124 -1.435 -3.340 112 HB2 LYS 17 2HB LYS 17 0.181 -3.696 -3.584 113 HB3 LYS 17 3HB LYS 17 -0.069 -3.589 -1.853 114 HG2 LYS 17 2HG LYS 17 -2.577 -4.013 -2.325 115 HG3 LYS 17 3HG LYS 17 -2.107 -4.414 -3.965 116 HD2 LYS 17 2HD LYS 17 -1.062 -6.392 -3.341 117 HD3 LYS 17 3HD LYS 17 -0.548 -5.763 -1.788 118 HE2 LYS 17 2HE LYS 17 -3.366 -6.668 -2.542 119 HE3 LYS 17 3HE LYS 17 -2.274 -7.468 -1.428 120 HZ1 LYS 17 1HZ LYS 17 -4.106 -5.731 -0.616 121 HZ2 LYS 17 2HZ LYS 17 -2.708 -5.934 0.194 122 H21 ACA 18 1HA ACA 18 -0.691 0.028 -7.716 123 H22 ACA 18 2HA ACA 18 0.694 -1.045 -7.756 124 H31 ACA 18 2HB ACA 18 -0.502 -2.411 -9.546 125 H32 ACA 18 3HB ACA 18 -1.912 -1.397 -9.310 126 H41 ACA 18 2HG ACA 18 -0.742 -2.553 -6.813 127 H42 ACA 18 3HG ACA 18 -1.440 -3.719 -7.919 128 H51 ACA 18 2HD ACA 18 -3.322 -3.144 -6.656 129 H52 ACA 18 3HD ACA 18 -3.483 -2.030 -8.000 130 H61 ACA 18 2HE ACA 18 -2.483 -0.283 -6.810 131 H62 ACA 18 3HE ACA 18 -4.161 -0.786 -5.553 132 HN61 ACA 18 HN ACA 18 -0.859 -1.144 -5.416 133 H LYS 19 HN LYS 19 -1.259 1.216 -9.939 134 HA LYS 19 HA LYS 19 0.008 -0.588 -11.871 135 HB2 LYS 19 2HB LYS 19 -2.583 -0.537 -11.120 136 HB3 LYS 19 3HB LYS 19 -2.649 0.632 -12.424 137 HG2 LYS 19 2HG LYS 19 -2.841 -1.195 -13.784 138 HG3 LYS 19 3HG LYS 19 -1.105 -1.334 -13.589 139 HD2 LYS 19 2HD LYS 19 -2.532 -2.549 -11.324 140 HD3 LYS 19 3HD LYS 19 -3.047 -3.248 -12.846 141 HE2 LYS 19 2HE LYS 19 -0.608 -3.606 -13.451 142 HE3 LYS 19 3HE LYS 19 -0.162 -3.018 -11.861 143 HZ1 LYS 19 1HZ LYS 19 -0.629 -5.582 -12.338 144 HZ2 LYS 19 2HZ LYS 19 -0.919 -4.926 -10.876 145 H ASN 20 HN ASN 20 -1.645 2.651 -11.731 146 HA ASN 20 HA ASN 20 0.076 3.433 -13.928 147 HB2 ASN 20 2HB ASN 20 -1.527 5.515 -13.862 148 HB3 ASN 20 3HB ASN 20 -2.176 3.998 -14.452 149 HD21 ASN 20 1HD2 ASN 20 -1.914 6.134 -11.670 150 HD22 ASN 20 2HD2 ASN 20 -3.335 5.609 -10.830 151 H GLU 21 HN GLU 21 1.178 5.599 -13.769 152 HA GLU 21 HA GLU 21 2.288 5.954 -11.205 153 HB2 GLU 21 2HB GLU 21 3.938 6.768 -12.508 154 HB3 GLU 21 3HB GLU 21 2.885 6.722 -13.909 155 HG2 GLU 21 2HG GLU 21 1.939 8.961 -13.237 156 HG3 GLU 21 3HG GLU 21 3.058 9.009 -11.890 157 HE2 GLU 21 2HE GLU 21 3.803 8.163 -15.375 158 H GLN 22 HN GLN 22 -0.598 7.051 -12.692 159 HA GLN 22 HA GLN 22 -0.768 9.643 -11.811 160 HB2 GLN 22 2HB GLN 22 -3.136 7.743 -11.867 161 HB3 GLN 22 3HB GLN 22 -3.123 9.459 -12.218 162 HG2 GLN 22 2HG GLN 22 -1.238 8.328 -14.017 163 HG3 GLN 22 3HG GLN 22 -2.583 7.205 -14.007 164 HE21 GLN 22 1HE2 GLN 22 -1.412 9.538 -15.744 165 HE22 GLN 22 2HE2 GLN 22 -2.820 10.387 -16.291 166 H GLU 23 HN GLU 23 -1.010 6.581 -10.060 167 HA GLU 23 HA GLU 23 -2.415 7.572 -7.859 168 HB2 GLU 23 2HB GLU 23 -2.413 5.232 -8.036 169 HB3 GLU 23 3HB GLU 23 -0.706 5.150 -8.414 170 HG2 GLU 23 2HG GLU 23 -0.047 5.409 -6.163 171 HG3 GLU 23 3HG GLU 23 -1.535 6.213 -5.708 172 HE2 GLU 23 2HE GLU 23 -1.714 4.028 -3.967 173 H LEU 24 HN LEU 24 0.892 7.906 -8.952 174 HA LEU 24 HA LEU 24 2.290 8.159 -6.615 175 HB2 LEU 24 2HB LEU 24 2.537 9.650 -9.228 176 HB3 LEU 24 3HB LEU 24 3.711 9.768 -7.932 177 HG LEU 24 HG LEU 24 3.356 7.703 -9.955 178 HD11 LEU 24 1HD1 LEU 24 5.417 8.924 -9.720 179 HD12 LEU 24 2HD1 LEU 24 5.582 8.408 -8.024 180 HD13 LEU 24 3HD1 LEU 24 5.712 7.211 -9.337 181 HD21 LEU 24 1HD2 LEU 24 3.897 5.772 -8.531 182 HD22 LEU 24 2HD2 LEU 24 3.662 6.782 -7.084 183 HD23 LEU 24 3HD2 LEU 24 2.290 6.448 -8.168 184 H LEU 25 HN LEU 25 -0.290 10.163 -7.881 185 HA LEU 25 HA LEU 25 0.416 12.487 -6.389 186 HB2 LEU 25 2HB LEU 25 -1.740 11.604 -8.193 187 HB3 LEU 25 3HB LEU 25 -2.235 12.747 -6.960 188 HG LEU 25 HG LEU 25 0.097 13.221 -8.833 189 HD11 LEU 25 1HD1 LEU 25 -2.593 13.114 -9.561 190 HD12 LEU 25 2HD1 LEU 25 -2.250 14.847 -9.353 191 HD13 LEU 25 3HD1 LEU 25 -1.262 13.872 -10.467 192 HD21 LEU 25 1HD2 LEU 25 -1.260 15.551 -7.736 193 HD22 LEU 25 2HD2 LEU 25 -0.604 14.493 -6.464 194 HD23 LEU 25 3HD2 LEU 25 0.467 15.123 -7.738 195 H GLU 26 HN GLU 26 -1.643 9.591 -5.901 196 HA GLU 26 HA GLU 26 -2.721 10.632 -3.491 197 HB2 GLU 26 2HB GLU 26 -3.123 8.316 -5.217 198 HB3 GLU 26 3HB GLU 26 -3.059 7.813 -3.539 199 HG2 GLU 26 2HG GLU 26 -4.984 8.975 -2.963 200 HG3 GLU 26 3HG GLU 26 -4.684 10.267 -4.108 201 HE2 GLU 26 2HE GLU 26 -7.410 8.544 -5.596 202 H LEU 27 HN LEU 27 0.166 8.893 -4.459 203 HA LEU 27 HA LEU 27 0.721 7.528 -2.100 204 HB2 LEU 27 2HB LEU 27 1.851 7.763 -4.563 205 HB3 LEU 27 3HB LEU 27 2.997 8.666 -3.591 206 HG LEU 27 HG LEU 27 2.114 5.871 -2.856 207 HD11 LEU 27 1HD1 LEU 27 3.051 5.314 -4.853 208 HD12 LEU 27 2HD1 LEU 27 4.083 6.762 -4.907 209 HD13 LEU 27 3HD1 LEU 27 4.529 5.390 -3.865 210 HD21 LEU 27 1HD2 LEU 27 3.758 7.845 -1.601 211 HD22 LEU 27 2HD2 LEU 27 3.346 6.205 -1.045 212 HD23 LEU 27 3HD2 LEU 27 4.777 6.463 -2.071 213 H ASP 28 HN ASP 28 1.603 10.875 -3.172 214 HA ASP 28 HA ASP 28 2.852 11.394 -0.682 215 HB2 ASP 28 2HB ASP 28 3.557 13.348 -1.684 216 HB3 ASP 28 3HB ASP 28 3.119 12.477 -3.140 217 HD2 ASP 28 2HD ASP 28 1.267 13.905 -4.421 218 H LYS 29 HN LYS 29 -0.380 11.378 -1.950 219 HA LYS 29 HA LYS 29 -1.424 13.508 -0.371 220 HB2 LYS 29 2HB LYS 29 -2.322 12.529 -2.583 221 HB3 LYS 29 3HB LYS 29 -3.012 11.253 -1.601 222 HG2 LYS 29 2HG LYS 29 -3.491 14.037 -0.611 223 HG3 LYS 29 3HG LYS 29 -4.277 13.630 -2.124 224 HD2 LYS 29 2HD LYS 29 -4.833 11.368 -0.656 225 HD3 LYS 29 3HD LYS 29 -4.780 12.566 0.622 226 HE2 LYS 29 2HE LYS 29 -6.273 13.497 -1.762 227 HE3 LYS 29 3HE LYS 29 -6.967 12.056 -1.047 228 HZ1 LYS 29 1HZ LYS 29 -7.851 14.050 0.009 229 HZ2 LYS 29 2HZ LYS 29 -6.985 13.219 1.110 230 H TRP 30 HN TRP 30 -1.111 9.939 -0.062 231 HA TRP 30 HA TRP 30 -2.512 9.987 2.465 232 HB2 TRP 30 2HB TRP 30 -2.426 7.662 2.402 233 HB3 TRP 30 3HB TRP 30 -2.689 8.149 0.738 234 HD1 TRP 30 1HD TRP 30 -0.989 7.162 -1.011 235 HE1 TRP 30 1HE TRP 30 1.270 5.797 -0.988 236 HE3 TRP 30 3HE TRP 30 -0.227 7.495 4.006 237 HZ2 TRP 30 2HZ TRP 30 3.081 5.028 1.078 238 HZ3 TRP 30 3HZ TRP 30 1.812 6.409 4.944 239 HH2 TRP 30 2HH TRP 30 3.436 5.208 3.568 240 H ALA 31 HN ALA 31 0.820 9.543 1.130 241 HA ALA 31 HA ALA 31 2.093 8.971 3.526 242 HB1 ALA 31 1HB ALA 31 4.119 9.579 2.329 243 HB2 ALA 31 2HB ALA 31 3.021 8.743 1.206 244 HB3 ALA 31 3HB ALA 31 3.183 10.514 1.139 245 H SER 32 HN SER 32 0.685 11.942 2.289 246 HA SER 32 HA SER 32 2.222 13.804 3.558 247 HB2 SER 32 2HB SER 32 0.515 14.475 1.987 248 HB3 SER 32 3HB SER 32 -0.756 13.732 2.939 249 HG SER 32 HG SER 32 -0.791 15.982 3.318 250 H LEU 33 HN LEU 33 0.043 11.401 4.882 251 HA LEU 33 HA LEU 33 -0.840 12.590 7.188 252 HB2 LEU 33 2HB LEU 33 -1.489 10.523 7.802 253 HB3 LEU 33 3HB LEU 33 -1.198 10.227 6.100 254 HG LEU 33 HG LEU 33 0.799 9.623 8.298 255 HD11 LEU 33 1HD1 LEU 33 0.093 7.189 7.519 256 HD12 LEU 33 2HD1 LEU 33 -0.782 8.059 8.803 257 HD13 LEU 33 3HD1 LEU 33 -1.439 8.017 7.149 258 HD21 LEU 33 1HD2 LEU 33 1.287 9.970 5.628 259 HD22 LEU 33 2HD2 LEU 33 2.259 8.968 6.731 260 HD23 LEU 33 3HD2 LEU 33 0.999 8.216 5.724 261 H TRP 34 HN TRP 34 2.408 11.445 6.307 262 HA TRP 34 HA TRP 34 3.470 11.344 8.896 263 HB2 TRP 34 2HB TRP 34 4.838 11.915 6.259 264 HB3 TRP 34 3HB TRP 34 5.644 11.502 7.759 265 HD1 TRP 34 1HD TRP 34 4.586 9.843 4.703 266 HE1 TRP 34 1HE TRP 34 4.337 7.223 4.906 267 HE3 TRP 34 3HE TRP 34 4.572 9.711 9.786 268 HZ2 TRP 34 2HZ TRP 34 4.167 5.430 7.120 269 HZ3 TRP 34 3HZ TRP 34 4.360 7.485 10.889 270 HH2 TRP 34 2HH TRP 34 4.162 5.393 9.642 271 H ASN 35 HN ASN 35 3.769 13.907 6.320 272 HA ASN 35 HA ASN 35 5.037 15.792 7.659 273 HB2 ASN 35 2HB ASN 35 2.676 15.970 5.750 274 HB3 ASN 35 3HB ASN 35 3.353 17.443 6.416 275 HD21 ASN 35 1HD2 ASN 35 3.367 15.663 3.783 276 HD22 ASN 35 2HD2 ASN 35 4.983 15.857 3.190 Start of MODEL 14 1 H1 GLY 1 HN GLY 1 -29.456 -0.085 -1.199 2 HA2 GLY 1 1HA GLY 1 -27.530 -1.338 -1.547 3 HA3 GLY 1 2HA GLY 1 -27.526 -0.215 -2.893 4 H ILE 2 HN ILE 2 -26.304 -0.719 0.464 5 HA ILE 2 HA ILE 2 -24.396 1.414 0.175 6 HB ILE 2 HB ILE 2 -25.543 -0.155 2.293 7 HG12 ILE 2 2HG1 ILE 2 -23.775 2.288 2.513 8 HG13 ILE 2 3HG1 ILE 2 -25.426 2.377 1.933 9 HG21 ILE 2 1HG2 ILE 2 -23.485 -0.272 3.717 10 HG22 ILE 2 2HG2 ILE 2 -23.535 -1.444 2.379 11 HG23 ILE 2 3HG2 ILE 2 -22.521 0.013 2.249 12 HD11 ILE 2 1HD1 ILE 2 -25.331 0.762 4.356 13 HD12 ILE 2 2HD1 ILE 2 -24.556 2.341 4.634 14 HD13 ILE 2 3HD1 ILE 2 -26.234 2.264 4.045 15 H GLY 3 HN GLY 3 -24.616 -2.040 -0.442 16 HA2 GLY 3 1HA GLY 3 -21.992 -2.860 -0.224 17 HA3 GLY 3 2HA GLY 3 -23.159 -3.473 -1.377 18 H ALA 4 HN ALA 4 -23.609 -0.945 -2.812 19 HA ALA 4 HA ALA 4 -21.539 -1.153 -4.686 20 HB1 ALA 4 1HB ALA 4 -23.163 1.341 -4.588 21 HB2 ALA 4 2HB ALA 4 -22.886 0.208 -5.932 22 HB3 ALA 4 3HB ALA 4 -24.079 -0.183 -4.669 23 H LEU 5 HN LEU 5 -22.062 0.899 -1.819 24 HA LEU 5 HA LEU 5 -19.956 2.706 -2.518 25 HB2 LEU 5 2HB LEU 5 -22.140 2.810 -0.885 26 HB3 LEU 5 3HB LEU 5 -20.857 2.550 0.280 27 HG LEU 5 HG LEU 5 -19.713 4.531 -1.120 28 HD11 LEU 5 1HD1 LEU 5 -22.146 4.441 -2.384 29 HD12 LEU 5 2HD1 LEU 5 -22.392 5.728 -1.180 30 HD13 LEU 5 3HD1 LEU 5 -21.049 5.843 -2.343 31 HD21 LEU 5 1HD2 LEU 5 -20.685 4.234 1.389 32 HD22 LEU 5 2HD2 LEU 5 -19.970 5.740 0.763 33 HD23 LEU 5 3HD2 LEU 5 -21.738 5.536 0.787 34 H PHE 6 HN PHE 6 -20.405 -0.055 -0.221 35 HA PHE 6 HA PHE 6 -17.926 0.056 0.964 36 HB2 PHE 6 2HB PHE 6 -19.812 -1.407 1.667 37 HB3 PHE 6 3HB PHE 6 -19.781 -2.250 0.130 38 HD1 PHE 6 1HD PHE 6 -18.460 -2.118 3.463 39 HD2 PHE 6 2HD PHE 6 -17.776 -3.694 -0.417 40 HE1 PHE 6 1HE PHE 6 -16.903 -3.832 4.432 41 HE2 PHE 6 2HE PHE 6 -16.220 -5.407 0.553 42 HZ PHE 6 HZ PHE 6 -15.801 -5.456 2.966 43 H LEU 7 HN LEU 7 -18.923 -1.316 -2.197 44 HA LEU 7 HA LEU 7 -16.567 -2.762 -2.664 45 HB2 LEU 7 2HB LEU 7 -18.929 -1.866 -4.183 46 HB3 LEU 7 3HB LEU 7 -17.486 -2.111 -5.145 47 HG LEU 7 HG LEU 7 -18.912 -4.100 -5.096 48 HD11 LEU 7 1HD1 LEU 7 -16.462 -4.845 -3.525 49 HD12 LEU 7 2HD1 LEU 7 -17.208 -5.654 -4.924 50 HD13 LEU 7 3HD1 LEU 7 -16.312 -4.133 -5.150 51 HD21 LEU 7 1HD2 LEU 7 -20.063 -4.371 -3.180 52 HD22 LEU 7 2HD2 LEU 7 -18.651 -5.347 -2.708 53 HD23 LEU 7 3HD2 LEU 7 -18.780 -3.653 -2.176 54 H GLY 8 HN GLY 8 -17.546 0.639 -3.326 55 HA2 GLY 8 1HA GLY 8 -15.125 1.260 -4.732 56 HA3 GLY 8 2HA GLY 8 -16.365 2.371 -4.187 57 H PHE 9 HN PHE 9 -15.995 0.850 -1.389 58 HA PHE 9 HA PHE 9 -14.208 2.828 -0.368 59 HB2 PHE 9 2HB PHE 9 -16.377 1.341 0.531 60 HB3 PHE 9 3HB PHE 9 -15.063 0.408 1.219 61 HD1 PHE 9 1HD PHE 9 -17.133 3.279 1.597 62 HD2 PHE 9 2HD PHE 9 -13.358 1.667 2.673 63 HE1 PHE 9 1HE PHE 9 -16.988 4.896 3.511 64 HE2 PHE 9 2HE PHE 9 -13.212 3.284 4.588 65 HZ PHE 9 HZ PHE 9 -15.029 4.880 4.983 66 H LEU 10 HN LEU 10 -14.017 -0.566 -1.367 67 HA LEU 10 HA LEU 10 -11.747 -1.258 0.132 68 HB2 LEU 10 2HB LEU 10 -12.560 -2.384 -2.543 69 HB3 LEU 10 3HB LEU 10 -11.617 -3.164 -1.289 70 HG LEU 10 HG LEU 10 -14.576 -2.632 -1.379 71 HD11 LEU 10 1HD1 LEU 10 -14.822 -4.929 -1.184 72 HD12 LEU 10 2HD1 LEU 10 -13.369 -4.778 -2.199 73 HD13 LEU 10 3HD1 LEU 10 -13.207 -5.149 -0.467 74 HD21 LEU 10 1HD2 LEU 10 -14.228 -1.816 0.759 75 HD22 LEU 10 2HD2 LEU 10 -14.525 -3.547 1.053 76 HD23 LEU 10 3HD2 LEU 10 -12.861 -2.913 1.073 77 H GLY 11 HN GLY 11 -12.205 0.966 -2.451 78 HA2 GLY 11 1HA GLY 11 -9.754 0.682 -3.824 79 HA3 GLY 11 2HA GLY 11 -10.790 2.095 -3.787 80 H ALA 12 HN ALA 12 -10.734 2.341 -0.801 81 HA ALA 12 HA ALA 12 -8.215 3.751 -0.659 82 HB1 ALA 12 1HB ALA 12 -9.612 5.139 0.433 83 HB2 ALA 12 2HB ALA 12 -10.866 3.882 0.561 84 HB3 ALA 12 3HB ALA 12 -9.576 3.979 1.784 85 H ALA 13 HN ALA 13 -9.068 0.581 -0.307 86 HA ALA 13 HA ALA 13 -7.553 0.156 2.148 87 HB1 ALA 13 1HB ALA 13 -9.841 -0.953 1.423 88 HB2 ALA 13 2HB ALA 13 -8.782 -2.029 0.480 89 HB3 ALA 13 3HB ALA 13 -8.595 -1.921 2.247 90 H GLY 14 HN GLY 14 -6.593 1.035 -0.734 91 HA2 GLY 14 1HA GLY 14 -5.125 -1.003 -1.906 92 HA3 GLY 14 2HA GLY 14 -4.747 0.706 -1.969 93 H SER 15 HN SER 15 -4.412 1.064 0.950 94 HA SER 15 HA SER 15 -1.735 0.066 1.067 95 HB2 SER 15 2HB SER 15 -1.379 1.665 2.744 96 HB3 SER 15 3HB SER 15 -2.623 2.427 1.773 97 HG SER 15 HG SER 15 -2.883 2.312 4.239 98 H LYS 16 HN LYS 16 -4.927 -0.680 2.364 99 HA LYS 16 HA LYS 16 -4.169 -2.011 4.694 100 HB2 LYS 16 2HB LYS 16 -6.523 -1.297 3.539 101 HB3 LYS 16 3HB LYS 16 -6.530 -3.017 3.210 102 HG2 LYS 16 2HG LYS 16 -7.456 -3.074 5.331 103 HG3 LYS 16 3HG LYS 16 -5.766 -3.161 5.787 104 HD2 LYS 16 2HD LYS 16 -5.683 -0.747 6.204 105 HD3 LYS 16 3HD LYS 16 -7.290 -0.528 5.543 106 HE2 LYS 16 2HE LYS 16 -8.342 -1.335 7.443 107 HE3 LYS 16 3HE LYS 16 -7.087 -2.513 7.772 108 HZ1 LYS 16 1HZ LYS 16 -6.655 -0.976 9.408 109 HZ2 LYS 16 2HZ LYS 16 -5.709 -0.325 8.254 110 H LYS 17 HN LYS 17 -3.738 -2.788 1.327 111 HA LYS 17 HA LYS 17 -3.883 -5.462 1.163 112 HB2 LYS 17 2HB LYS 17 -2.311 -3.352 -0.107 113 HB3 LYS 17 3HB LYS 17 -1.466 -4.887 -0.097 114 HG2 LYS 17 2HG LYS 17 -3.084 -5.956 -1.406 115 HG3 LYS 17 3HG LYS 17 -4.384 -4.926 -0.839 116 HD2 LYS 17 2HD LYS 17 -3.892 -3.217 -2.356 117 HD3 LYS 17 3HD LYS 17 -2.186 -3.611 -2.420 118 HE2 LYS 17 2HE LYS 17 -2.479 -5.279 -4.026 119 HE3 LYS 17 3HE LYS 17 -4.090 -5.688 -3.472 120 HZ1 LYS 17 1HZ LYS 17 -3.396 -3.923 -5.544 121 HZ2 LYS 17 2HZ LYS 17 -4.893 -4.351 -5.067 122 H21 ACA 18 1HA ACA 18 -2.233 -11.909 2.848 123 H22 ACA 18 2HA ACA 18 -1.470 -12.344 4.364 124 H31 ACA 18 2HB ACA 18 -2.961 -10.533 5.469 125 H32 ACA 18 3HB ACA 18 -3.351 -10.003 3.844 126 H41 ACA 18 2HG ACA 18 -0.444 -10.375 4.254 127 H42 ACA 18 3HG ACA 18 -1.134 -9.186 5.342 128 H51 ACA 18 2HD ACA 18 -2.063 -8.972 2.515 129 H52 ACA 18 3HD ACA 18 -0.355 -8.663 2.746 130 H61 ACA 18 2HE ACA 18 -2.210 -7.485 4.689 131 H62 ACA 18 3HE ACA 18 -0.389 -6.473 4.132 132 HN61 ACA 18 HN ACA 18 -3.346 -7.000 2.616 133 H LYS 19 HN LYS 19 -4.590 -12.544 2.515 134 HA LYS 19 HA LYS 19 -5.663 -11.855 5.150 135 HB2 LYS 19 2HB LYS 19 -5.727 -10.538 2.650 136 HB3 LYS 19 3HB LYS 19 -7.357 -11.119 2.926 137 HG2 LYS 19 2HG LYS 19 -7.645 -9.839 4.865 138 HG3 LYS 19 3HG LYS 19 -5.935 -9.837 5.252 139 HD2 LYS 19 2HD LYS 19 -5.907 -7.721 4.408 140 HD3 LYS 19 3HD LYS 19 -5.956 -8.481 2.828 141 HE2 LYS 19 2HE LYS 19 -7.899 -7.340 2.494 142 HE3 LYS 19 3HE LYS 19 -8.645 -8.503 3.572 143 HZ1 LYS 19 1HZ LYS 19 -7.374 -6.555 5.146 144 HZ2 LYS 19 2HZ LYS 19 -8.263 -5.766 4.033 145 H ASN 20 HN ASN 20 -6.675 -13.443 2.038 146 HA ASN 20 HA ASN 20 -8.532 -15.000 3.633 147 HB2 ASN 20 2HB ASN 20 -9.324 -15.696 1.223 148 HB3 ASN 20 3HB ASN 20 -9.696 -14.076 1.778 149 HD21 ASN 20 1HD2 ASN 20 -7.466 -16.026 -0.123 150 HD22 ASN 20 2HD2 ASN 20 -6.904 -14.778 -1.186 151 H GLU 21 HN GLU 21 -8.629 -17.398 3.199 152 HA GLU 21 HA GLU 21 -6.032 -18.469 3.017 153 HB2 GLU 21 2HB GLU 21 -7.073 -20.061 4.227 154 HB3 GLU 21 3HB GLU 21 -8.628 -19.319 3.905 155 HG2 GLU 21 2HG GLU 21 -8.726 -20.545 1.703 156 HG3 GLU 21 3HG GLU 21 -7.207 -21.327 2.093 157 HE2 GLU 21 2HE GLU 21 -10.084 -21.661 4.717 158 H GLN 22 HN GLN 22 -8.349 -17.517 0.678 159 HA GLN 22 HA GLN 22 -8.146 -19.508 -1.197 160 HB2 GLN 22 2HB GLN 22 -8.304 -16.558 -1.905 161 HB3 GLN 22 3HB GLN 22 -9.025 -17.911 -2.755 162 HG2 GLN 22 2HG GLN 22 -10.041 -18.080 -0.106 163 HG3 GLN 22 3HG GLN 22 -10.082 -16.373 -0.499 164 HE21 GLN 22 1HE2 GLN 22 -11.227 -15.646 -2.325 165 HE22 GLN 22 2HE2 GLN 22 -12.525 -16.559 -3.021 166 H GLU 23 HN GLU 23 -5.844 -17.011 -0.212 167 HA GLU 23 HA GLU 23 -4.308 -17.044 -2.544 168 HB2 GLU 23 2HB GLU 23 -3.857 -15.183 -1.230 169 HB3 GLU 23 3HB GLU 23 -3.971 -16.074 0.275 170 HG2 GLU 23 2HG GLU 23 -1.784 -17.157 -0.159 171 HG3 GLU 23 3HG GLU 23 -1.677 -16.371 -1.721 172 HE2 GLU 23 2HE GLU 23 0.368 -14.620 0.395 173 H LEU 24 HN LEU 24 -4.664 -19.268 0.133 174 HA LEU 24 HA LEU 24 -2.192 -20.424 0.305 175 HB2 LEU 24 2HB LEU 24 -4.947 -21.638 0.489 176 HB3 LEU 24 3HB LEU 24 -3.481 -22.503 0.902 177 HG LEU 24 HG LEU 24 -5.004 -20.556 2.444 178 HD11 LEU 24 1HD1 LEU 24 -3.761 -21.624 4.315 179 HD12 LEU 24 2HD1 LEU 24 -4.597 -22.782 3.254 180 HD13 LEU 24 3HD1 LEU 24 -2.836 -22.561 3.119 181 HD21 LEU 24 1HD2 LEU 24 -3.269 -18.995 1.769 182 HD22 LEU 24 2HD2 LEU 24 -3.090 -19.419 3.489 183 HD23 LEU 24 3HD2 LEU 24 -2.007 -20.142 2.275 184 H LEU 25 HN LEU 25 -4.535 -20.510 -2.337 185 HA LEU 25 HA LEU 25 -3.385 -22.792 -3.598 186 HB2 LEU 25 2HB LEU 25 -5.764 -21.850 -3.780 187 HB3 LEU 25 3HB LEU 25 -5.090 -20.684 -4.901 188 HG LEU 25 HG LEU 25 -4.147 -23.098 -5.886 189 HD11 LEU 25 1HD1 LEU 25 -6.947 -23.486 -4.808 190 HD12 LEU 25 2HD1 LEU 25 -6.223 -24.493 -6.084 191 HD13 LEU 25 3HD1 LEU 25 -5.494 -24.453 -4.460 192 HD21 LEU 25 1HD2 LEU 25 -5.619 -22.699 -7.740 193 HD22 LEU 25 2HD2 LEU 25 -6.686 -21.685 -6.739 194 HD23 LEU 25 3HD2 LEU 25 -5.039 -21.131 -7.127 195 H GLU 26 HN GLU 26 -2.892 -19.257 -3.650 196 HA GLU 26 HA GLU 26 -1.226 -19.399 -5.945 197 HB2 GLU 26 2HB GLU 26 -2.375 -17.326 -4.218 198 HB3 GLU 26 3HB GLU 26 -0.705 -16.969 -4.611 199 HG2 GLU 26 2HG GLU 26 -1.181 -17.215 -7.027 200 HG3 GLU 26 3HG GLU 26 -2.831 -17.699 -6.681 201 HE2 GLU 26 2HE GLU 26 -1.815 -13.832 -6.296 202 H LEU 27 HN LEU 27 -0.864 -19.822 -2.483 203 HA LEU 27 HA LEU 27 1.722 -19.044 -2.047 204 HB2 LEU 27 2HB LEU 27 -0.225 -20.255 -0.615 205 HB3 LEU 27 3HB LEU 27 0.871 -21.605 -0.832 206 HG LEU 27 HG LEU 27 1.851 -18.947 0.210 207 HD11 LEU 27 1HD1 LEU 27 0.059 -20.813 1.544 208 HD12 LEU 27 2HD1 LEU 27 1.593 -20.607 2.425 209 HD13 LEU 27 3HD1 LEU 27 0.594 -19.186 2.031 210 HD21 LEU 27 1HD2 LEU 27 3.132 -21.337 -0.505 211 HD22 LEU 27 2HD2 LEU 27 3.821 -19.954 0.379 212 HD23 LEU 27 3HD2 LEU 27 3.113 -21.319 1.274 213 H ASP 28 HN ASP 28 0.510 -22.178 -3.397 214 HA ASP 28 HA ASP 28 3.164 -23.108 -3.755 215 HB2 ASP 28 2HB ASP 28 0.915 -24.445 -3.436 216 HB3 ASP 28 3HB ASP 28 0.702 -24.205 -5.159 217 HD2 ASP 28 2HD ASP 28 2.883 -26.773 -3.362 218 H LYS 29 HN LYS 29 0.584 -21.509 -5.663 219 HA LYS 29 HA LYS 29 1.488 -21.978 -8.220 220 HB2 LYS 29 2HB LYS 29 -0.667 -20.864 -7.407 221 HB3 LYS 29 3HB LYS 29 0.254 -19.379 -7.289 222 HG2 LYS 29 2HG LYS 29 0.544 -20.896 -9.858 223 HG3 LYS 29 3HG LYS 29 -1.029 -20.180 -9.566 224 HD2 LYS 29 2HD LYS 29 -0.133 -17.964 -9.430 225 HD3 LYS 29 3HD LYS 29 1.504 -18.543 -9.190 226 HE2 LYS 29 2HE LYS 29 0.628 -19.663 -11.672 227 HE3 LYS 29 3HE LYS 29 0.113 -17.987 -11.689 228 HZ1 LYS 29 1HZ LYS 29 2.641 -17.825 -10.711 229 HZ2 LYS 29 2HZ LYS 29 2.791 -19.043 -11.782 230 H TRP 30 HN TRP 30 2.615 -19.640 -5.745 231 HA TRP 30 HA TRP 30 4.467 -18.454 -7.621 232 HB2 TRP 30 2HB TRP 30 4.926 -16.885 -5.967 233 HB3 TRP 30 3HB TRP 30 3.206 -17.194 -5.829 234 HD1 TRP 30 1HD TRP 30 2.388 -17.730 -3.398 235 HE1 TRP 30 1HE TRP 30 3.434 -18.406 -1.072 236 HE3 TRP 30 3HE TRP 30 7.134 -18.346 -5.118 237 HZ2 TRP 30 2HZ TRP 30 6.070 -19.107 -0.231 238 HZ3 TRP 30 3HZ TRP 30 8.884 -19.026 -3.479 239 HH2 TRP 30 2HH TRP 30 8.415 -19.405 -1.111 240 H ALA 31 HN ALA 31 4.472 -20.525 -4.644 241 HA ALA 31 HA ALA 31 7.209 -20.827 -4.420 242 HB1 ALA 31 1HB ALA 31 5.314 -21.509 -2.825 243 HB2 ALA 31 2HB ALA 31 5.158 -22.980 -3.815 244 HB3 ALA 31 3HB ALA 31 6.684 -22.637 -2.964 245 H SER 32 HN SER 32 5.008 -21.957 -6.868 246 HA SER 32 HA SER 32 6.215 -24.307 -7.600 247 HB2 SER 32 2HB SER 32 4.948 -24.154 -9.578 248 HB3 SER 32 3HB SER 32 4.036 -23.163 -8.457 249 HG SER 32 HG SER 32 4.439 -22.204 -10.628 250 H LEU 33 HN LEU 33 7.163 -20.919 -8.112 251 HA LEU 33 HA LEU 33 8.822 -21.083 -10.258 252 HB2 LEU 33 2HB LEU 33 9.502 -19.042 -9.651 253 HB3 LEU 33 3HB LEU 33 8.159 -19.172 -8.532 254 HG LEU 33 HG LEU 33 10.989 -19.914 -7.765 255 HD11 LEU 33 1HD1 LEU 33 9.679 -17.247 -7.209 256 HD12 LEU 33 2HD1 LEU 33 11.360 -17.740 -6.899 257 HD13 LEU 33 3HD1 LEU 33 10.788 -17.528 -8.572 258 HD21 LEU 33 1HD2 LEU 33 8.707 -20.538 -6.485 259 HD22 LEU 33 2HD2 LEU 33 10.243 -20.200 -5.650 260 HD23 LEU 33 3HD2 LEU 33 9.007 -18.926 -5.790 261 H TRP 34 HN TRP 34 9.221 -22.498 -7.041 262 HA TRP 34 HA TRP 34 11.992 -22.893 -7.139 263 HB2 TRP 34 2HB TRP 34 9.840 -24.462 -5.709 264 HB3 TRP 34 3HB TRP 34 11.561 -24.613 -5.420 265 HD1 TRP 34 1HD TRP 34 8.767 -23.015 -3.830 266 HE1 TRP 34 1HE TRP 34 9.359 -20.901 -2.367 267 HE3 TRP 34 3HE TRP 34 13.394 -22.287 -5.811 268 HZ2 TRP 34 2HZ TRP 34 11.645 -19.200 -2.204 269 HZ3 TRP 34 3HZ TRP 34 14.740 -20.377 -4.944 270 HH2 TRP 34 2HH TRP 34 13.936 -18.861 -3.204 271 H ASN 35 HN ASN 35 9.166 -24.991 -8.043 272 HA ASN 35 HA ASN 35 10.889 -26.978 -9.086 273 HB2 ASN 35 2HB ASN 35 7.877 -26.572 -9.490 274 HB3 ASN 35 3HB ASN 35 8.756 -28.047 -9.844 275 HD21 ASN 35 1HD2 ASN 35 7.212 -26.136 -7.482 276 HD22 ASN 35 2HD2 ASN 35 7.488 -27.126 -6.088 Start of MODEL 15 1 H1 GLY 1 HN GLY 1 -28.830 -0.297 -2.907 2 HA2 GLY 1 1HA GLY 1 -26.542 -0.570 -3.806 3 HA3 GLY 1 2HA GLY 1 -27.031 1.107 -3.657 4 H ILE 2 HN ILE 2 -26.644 -0.454 -0.587 5 HA ILE 2 HA ILE 2 -24.552 1.254 0.153 6 HB ILE 2 HB ILE 2 -26.307 0.232 1.617 7 HG12 ILE 2 2HG1 ILE 2 -23.890 -0.471 3.084 8 HG13 ILE 2 3HG1 ILE 2 -23.677 1.010 2.171 9 HG21 ILE 2 1HG2 ILE 2 -25.175 -2.191 0.655 10 HG22 ILE 2 2HG2 ILE 2 -24.867 -2.106 2.406 11 HG23 ILE 2 3HG2 ILE 2 -26.529 -1.966 1.787 12 HD11 ILE 2 1HD1 ILE 2 -24.851 0.917 4.634 13 HD12 ILE 2 2HD1 ILE 2 -25.215 2.173 3.426 14 HD13 ILE 2 3HD1 ILE 2 -26.290 0.764 3.598 15 H GLY 3 HN GLY 3 -24.656 -1.928 -1.375 16 HA2 GLY 3 1HA GLY 3 -22.028 -2.756 -0.714 17 HA3 GLY 3 2HA GLY 3 -23.037 -3.356 -2.015 18 H ALA 4 HN ALA 4 -23.442 -0.652 -3.247 19 HA ALA 4 HA ALA 4 -21.278 -0.702 -5.009 20 HB1 ALA 4 1HB ALA 4 -23.759 0.281 -5.113 21 HB2 ALA 4 2HB ALA 4 -22.925 1.779 -4.637 22 HB3 ALA 4 3HB ALA 4 -22.455 0.936 -6.132 23 H LEU 5 HN LEU 5 -21.954 1.154 -2.018 24 HA LEU 5 HA LEU 5 -19.716 2.888 -2.397 25 HB2 LEU 5 2HB LEU 5 -22.015 2.953 -0.920 26 HB3 LEU 5 3HB LEU 5 -20.825 2.564 0.306 27 HG LEU 5 HG LEU 5 -21.026 4.909 0.321 28 HD11 LEU 5 1HD1 LEU 5 -18.840 5.606 0.061 29 HD12 LEU 5 2HD1 LEU 5 -18.655 3.838 0.153 30 HD13 LEU 5 3HD1 LEU 5 -18.597 4.658 -1.426 31 HD21 LEU 5 1HD2 LEU 5 -22.009 5.842 -1.453 32 HD22 LEU 5 2HD2 LEU 5 -20.367 5.980 -2.128 33 HD23 LEU 5 3HD2 LEU 5 -21.396 4.596 -2.567 34 H PHE 6 HN PHE 6 -20.372 -0.248 -0.838 35 HA PHE 6 HA PHE 6 -18.111 -0.342 0.780 36 HB2 PHE 6 2HB PHE 6 -20.153 -1.875 0.759 37 HB3 PHE 6 3HB PHE 6 -19.617 -2.532 -0.774 38 HD1 PHE 6 1HD PHE 6 -19.177 -2.594 2.820 39 HD2 PHE 6 2HD PHE 6 -17.570 -3.930 -0.873 40 HE1 PHE 6 1HE PHE 6 -17.830 -4.328 4.035 41 HE2 PHE 6 2HE PHE 6 -16.222 -5.665 0.342 42 HZ PHE 6 HZ PHE 6 -16.368 -5.844 2.781 43 H LEU 7 HN LEU 7 -18.663 -1.540 -2.603 44 HA LEU 7 HA LEU 7 -16.179 -2.674 -2.974 45 HB2 LEU 7 2HB LEU 7 -18.402 -1.723 -4.637 46 HB3 LEU 7 3HB LEU 7 -16.849 -1.696 -5.447 47 HG LEU 7 HG LEU 7 -17.903 -3.773 -5.946 48 HD11 LEU 7 1HD1 LEU 7 -16.110 -5.111 -5.635 49 HD12 LEU 7 2HD1 LEU 7 -15.380 -3.610 -5.017 50 HD13 LEU 7 3HD1 LEU 7 -16.043 -4.809 -3.882 51 HD21 LEU 7 1HD2 LEU 7 -18.346 -4.022 -2.966 52 HD22 LEU 7 2HD2 LEU 7 -19.557 -3.988 -4.270 53 HD23 LEU 7 3HD2 LEU 7 -18.484 -5.397 -4.089 54 H GLY 8 HN GLY 8 -17.267 0.739 -3.417 55 HA2 GLY 8 1HA GLY 8 -14.789 1.671 -4.433 56 HA3 GLY 8 2HA GLY 8 -16.098 2.632 -3.776 57 H PHE 9 HN PHE 9 -15.883 0.740 -1.240 58 HA PHE 9 HA PHE 9 -14.173 2.527 0.178 59 HB2 PHE 9 2HB PHE 9 -16.362 0.814 0.664 60 HB3 PHE 9 3HB PHE 9 -15.040 -0.059 1.412 61 HD1 PHE 9 1HD PHE 9 -13.923 0.816 3.377 62 HD2 PHE 9 2HD PHE 9 -17.075 2.981 1.537 63 HE1 PHE 9 1HE PHE 9 -14.113 2.271 5.414 64 HE2 PHE 9 2HE PHE 9 -17.264 4.436 3.573 65 HZ PHE 9 HZ PHE 9 -15.781 4.065 5.487 66 H LEU 10 HN LEU 10 -13.949 -0.762 -1.186 67 HA LEU 10 HA LEU 10 -11.719 -1.587 0.302 68 HB2 LEU 10 2HB LEU 10 -12.571 -2.446 -2.465 69 HB3 LEU 10 3HB LEU 10 -11.507 -3.318 -1.379 70 HG LEU 10 HG LEU 10 -14.478 -2.844 -1.081 71 HD11 LEU 10 1HD1 LEU 10 -14.410 -4.734 -2.311 72 HD12 LEU 10 2HD1 LEU 10 -12.743 -5.127 -1.826 73 HD13 LEU 10 3HD1 LEU 10 -14.098 -5.492 -0.730 74 HD21 LEU 10 1HD2 LEU 10 -14.116 -4.299 1.049 75 HD22 LEU 10 2HD2 LEU 10 -12.458 -3.656 0.989 76 HD23 LEU 10 3HD2 LEU 10 -13.841 -2.542 1.120 77 H GLY 11 HN GLY 11 -12.119 0.826 -2.136 78 HA2 GLY 11 1HA GLY 11 -9.651 0.677 -3.466 79 HA3 GLY 11 2HA GLY 11 -10.666 2.094 -3.289 80 H ALA 12 HN ALA 12 -10.672 2.184 -0.354 81 HA ALA 12 HA ALA 12 -8.162 3.519 -0.022 82 HB1 ALA 12 1HB ALA 12 -9.220 3.786 2.363 83 HB2 ALA 12 2HB ALA 12 -9.962 4.626 0.982 84 HB3 ALA 12 3HB ALA 12 -10.679 3.117 1.596 85 H ALA 13 HN ALA 13 -9.454 0.320 0.525 86 HA ALA 13 HA ALA 13 -7.599 -0.317 2.627 87 HB1 ALA 13 1HB ALA 13 -9.899 -1.301 2.407 88 HB2 ALA 13 2HB ALA 13 -9.359 -2.129 0.928 89 HB3 ALA 13 3HB ALA 13 -8.609 -2.522 2.493 90 H GLY 14 HN GLY 14 -7.403 0.153 -0.737 91 HA2 GLY 14 1HA GLY 14 -5.554 -1.977 -1.329 92 HA3 GLY 14 2HA GLY 14 -6.021 -0.640 -2.361 93 H SER 15 HN SER 15 -5.398 1.148 0.210 94 HA SER 15 HA SER 15 -2.782 1.763 -0.676 95 HB2 SER 15 2HB SER 15 -3.838 2.932 1.874 96 HB3 SER 15 3HB SER 15 -3.027 3.724 0.538 97 HG SER 15 HG SER 15 -5.554 3.902 0.978 98 H LYS 16 HN LYS 16 -4.247 -0.174 1.881 99 HA LYS 16 HA LYS 16 -1.988 -0.165 3.605 100 HB2 LYS 16 2HB LYS 16 -4.677 -1.107 3.647 101 HB3 LYS 16 3HB LYS 16 -3.641 -2.483 3.962 102 HG2 LYS 16 2HG LYS 16 -2.540 -1.342 5.811 103 HG3 LYS 16 3HG LYS 16 -3.296 0.185 5.398 104 HD2 LYS 16 2HD LYS 16 -5.062 -0.323 6.720 105 HD3 LYS 16 3HD LYS 16 -5.419 -1.716 5.718 106 HE2 LYS 16 2HE LYS 16 -4.086 -3.181 7.071 107 HE3 LYS 16 3HE LYS 16 -3.242 -1.851 7.839 108 HZ1 LYS 16 1HZ LYS 16 -4.982 -2.798 9.278 109 HZ2 LYS 16 2HZ LYS 16 -5.307 -1.235 8.956 110 H LYS 17 HN LYS 17 -3.004 -1.966 0.726 111 HA LYS 17 HA LYS 17 -0.714 -3.756 1.110 112 HB2 LYS 17 2HB LYS 17 -3.386 -4.049 -0.178 113 HB3 LYS 17 3HB LYS 17 -2.041 -4.872 -0.944 114 HG2 LYS 17 2HG LYS 17 -2.841 -6.464 0.621 115 HG3 LYS 17 3HG LYS 17 -1.449 -5.767 1.426 116 HD2 LYS 17 2HD LYS 17 -2.790 -4.453 2.892 117 HD3 LYS 17 3HD LYS 17 -4.201 -4.565 1.859 118 HE2 LYS 17 2HE LYS 17 -4.060 -6.049 4.048 119 HE3 LYS 17 3HE LYS 17 -4.746 -6.727 2.585 120 HZ1 LYS 17 1HZ LYS 17 -3.031 -8.162 3.651 121 HZ2 LYS 17 2HZ LYS 17 -2.655 -7.802 2.109 122 H21 ACA 18 1HA ACA 18 1.544 -4.914 -4.452 123 H22 ACA 18 2HA ACA 18 2.979 -5.242 -5.401 124 H31 ACA 18 2HB ACA 18 4.387 -4.087 -3.949 125 H32 ACA 18 3HB ACA 18 3.428 -4.473 -2.534 126 H41 ACA 18 2HG ACA 18 2.531 -2.522 -4.705 127 H42 ACA 18 3HG ACA 18 3.344 -2.029 -3.233 128 H51 ACA 18 2HD ACA 18 1.053 -3.817 -2.702 129 H52 ACA 18 3HD ACA 18 0.577 -2.364 -3.557 130 H61 ACA 18 2HE ACA 18 2.494 -2.096 -1.344 131 H62 ACA 18 3HE ACA 18 1.099 -0.515 -1.803 132 HN61 ACA 18 HN ACA 18 1.106 -2.952 0.202 133 H LYS 19 HN LYS 19 1.262 -6.293 -2.305 134 HA LYS 19 HA LYS 19 4.010 -6.534 -1.534 135 HB2 LYS 19 2HB LYS 19 1.389 -6.163 -0.206 136 HB3 LYS 19 3HB LYS 19 2.576 -7.058 0.721 137 HG2 LYS 19 2HG LYS 19 3.020 -4.315 -0.548 138 HG3 LYS 19 3HG LYS 19 2.739 -4.613 1.156 139 HD2 LYS 19 2HD LYS 19 4.881 -6.341 0.445 140 HD3 LYS 19 3HD LYS 19 5.228 -4.827 -0.366 141 HE2 LYS 19 2HE LYS 19 4.591 -5.121 2.609 142 HE3 LYS 19 3HE LYS 19 6.195 -4.899 1.941 143 HZ1 LYS 19 1HZ LYS 19 5.122 -2.798 2.699 144 HZ2 LYS 19 2HZ LYS 19 5.551 -2.735 1.128 145 H ASN 20 HN ASN 20 1.083 -8.664 -1.159 146 HA ASN 20 HA ASN 20 2.959 -10.884 -1.049 147 HB2 ASN 20 2HB ASN 20 1.277 -10.485 0.867 148 HB3 ASN 20 3HB ASN 20 0.001 -10.883 -0.265 149 HD21 ASN 20 1HD2 ASN 20 -0.369 -12.538 1.414 150 HD22 ASN 20 2HD2 ASN 20 0.436 -14.066 1.278 151 H GLU 21 HN GLU 21 2.362 -12.863 -2.313 152 HA GLU 21 HA GLU 21 1.476 -12.243 -4.862 153 HB2 GLU 21 2HB GLU 21 2.535 -14.201 -5.214 154 HB3 GLU 21 3HB GLU 21 2.610 -14.490 -3.486 155 HG2 GLU 21 2HG GLU 21 0.264 -15.431 -3.583 156 HG3 GLU 21 3HG GLU 21 0.279 -15.222 -5.322 157 HE2 GLU 21 2HE GLU 21 1.762 -18.130 -5.892 158 H GLN 22 HN GLN 22 -0.283 -12.739 -1.961 159 HA GLN 22 HA GLN 22 -2.472 -14.143 -2.813 160 HB2 GLN 22 2HB GLN 22 -3.294 -13.631 -0.748 161 HB3 GLN 22 3HB GLN 22 -1.706 -12.944 -0.476 162 HG2 GLN 22 2HG GLN 22 -2.581 -10.720 -1.334 163 HG3 GLN 22 3HG GLN 22 -4.178 -11.433 -1.441 164 HE21 GLN 22 1HE2 GLN 22 -1.655 -10.277 0.634 165 HE22 GLN 22 2HE2 GLN 22 -2.525 -10.286 2.132 166 H GLU 23 HN GLU 23 -1.453 -10.830 -3.507 167 HA GLU 23 HA GLU 23 -3.966 -9.855 -4.237 168 HB2 GLU 23 2HB GLU 23 -2.094 -8.362 -3.716 169 HB3 GLU 23 3HB GLU 23 -1.154 -9.003 -5.050 170 HG2 GLU 23 2HG GLU 23 -3.064 -8.227 -6.605 171 HG3 GLU 23 3HG GLU 23 -3.727 -7.375 -5.224 172 HE2 GLU 23 2HE GLU 23 -1.961 -4.993 -6.919 173 H LEU 24 HN LEU 24 -1.613 -11.944 -5.818 174 HA LEU 24 HA LEU 24 -2.048 -11.507 -8.461 175 HB2 LEU 24 2HB LEU 24 -1.665 -14.095 -6.958 176 HB3 LEU 24 3HB LEU 24 -1.634 -13.981 -8.706 177 HG LEU 24 HG LEU 24 0.433 -13.355 -6.751 178 HD11 LEU 24 1HD1 LEU 24 0.688 -14.985 -8.552 179 HD12 LEU 24 2HD1 LEU 24 0.485 -13.696 -9.762 180 HD13 LEU 24 3HD1 LEU 24 1.899 -13.687 -8.682 181 HD21 LEU 24 1HD2 LEU 24 1.357 -11.382 -7.890 182 HD22 LEU 24 2HD2 LEU 24 -0.110 -11.281 -8.894 183 HD23 LEU 24 3HD2 LEU 24 -0.218 -11.044 -7.132 184 H LEU 25 HN LEU 25 -4.243 -12.948 -6.058 185 HA LEU 25 HA LEU 25 -6.027 -14.116 -7.866 186 HB2 LEU 25 2HB LEU 25 -5.785 -13.696 -5.059 187 HB3 LEU 25 3HB LEU 25 -7.387 -13.171 -5.542 188 HG LEU 25 HG LEU 25 -6.239 -15.882 -6.252 189 HD11 LEU 25 1HD1 LEU 25 -7.839 -16.686 -4.426 190 HD12 LEU 25 2HD1 LEU 25 -6.311 -15.933 -3.907 191 HD13 LEU 25 3HD1 LEU 25 -7.828 -15.004 -3.842 192 HD21 LEU 25 1HD2 LEU 25 -8.625 -16.461 -6.632 193 HD22 LEU 25 2HD2 LEU 25 -9.046 -14.751 -6.377 194 HD23 LEU 25 3HD2 LEU 25 -8.006 -15.216 -7.744 195 H GLU 26 HN GLU 26 -5.748 -10.795 -6.506 196 HA GLU 26 HA GLU 26 -8.138 -9.977 -7.803 197 HB2 GLU 26 2HB GLU 26 -6.135 -8.806 -5.965 198 HB3 GLU 26 3HB GLU 26 -6.775 -7.651 -7.118 199 HG2 GLU 26 2HG GLU 26 -9.116 -8.368 -6.470 200 HG3 GLU 26 3HG GLU 26 -8.426 -9.420 -5.251 201 HE2 GLU 26 2HE GLU 26 -7.660 -5.513 -4.754 202 H LEU 27 HN LEU 27 -4.744 -10.266 -8.628 203 HA LEU 27 HA LEU 27 -4.588 -8.254 -10.566 204 HB2 LEU 27 2HB LEU 27 -2.621 -9.222 -9.647 205 HB3 LEU 27 3HB LEU 27 -3.094 -10.836 -10.140 206 HG LEU 27 HG LEU 27 -1.263 -9.595 -11.473 207 HD11 LEU 27 1HD1 LEU 27 -2.649 -10.476 -13.679 208 HD12 LEU 27 2HD1 LEU 27 -1.666 -11.486 -12.592 209 HD13 LEU 27 3HD1 LEU 27 -3.426 -11.367 -12.349 210 HD21 LEU 27 1HD2 LEU 27 -2.349 -8.349 -13.462 211 HD22 LEU 27 2HD2 LEU 27 -3.735 -8.129 -12.367 212 HD23 LEU 27 3HD2 LEU 27 -2.135 -7.488 -11.919 213 H ASP 28 HN ASP 28 -5.467 -11.760 -10.772 214 HA ASP 28 HA ASP 28 -5.966 -11.540 -13.547 215 HB2 ASP 28 2HB ASP 28 -5.381 -13.718 -12.897 216 HB3 ASP 28 3HB ASP 28 -6.302 -13.636 -11.409 217 HD2 ASP 28 2HD ASP 28 -8.019 -14.077 -14.924 218 H LYS 29 HN LYS 29 -7.670 -10.841 -10.587 219 HA LYS 29 HA LYS 29 -10.304 -11.337 -11.552 220 HB2 LYS 29 2HB LYS 29 -9.513 -11.335 -9.131 221 HB3 LYS 29 3HB LYS 29 -9.488 -9.585 -9.224 222 HG2 LYS 29 2HG LYS 29 -11.981 -11.013 -10.150 223 HG3 LYS 29 3HG LYS 29 -11.680 -10.923 -8.426 224 HD2 LYS 29 2HD LYS 29 -11.209 -8.339 -8.975 225 HD3 LYS 29 3HD LYS 29 -12.198 -8.681 -10.381 226 HE2 LYS 29 2HE LYS 29 -13.962 -9.649 -8.799 227 HE3 LYS 29 3HE LYS 29 -12.995 -9.070 -7.458 228 HZ1 LYS 29 1HZ LYS 29 -14.856 -7.583 -8.690 229 HZ2 LYS 29 2HZ LYS 29 -13.606 -6.934 -7.873 230 H TRP 30 HN TRP 30 -8.120 -8.482 -11.282 231 HA TRP 30 HA TRP 30 -10.139 -6.787 -12.468 232 HB2 TRP 30 2HB TRP 30 -8.809 -5.012 -11.894 233 HB3 TRP 30 3HB TRP 30 -8.456 -6.162 -10.620 234 HD1 TRP 30 1HD TRP 30 -5.910 -6.799 -10.314 235 HE1 TRP 30 1HE TRP 30 -3.620 -6.298 -11.526 236 HE3 TRP 30 3HE TRP 30 -7.960 -4.602 -14.417 237 HZ2 TRP 30 2HZ TRP 30 -2.938 -5.068 -14.009 238 HZ3 TRP 30 3HZ TRP 30 -6.411 -3.778 -16.188 239 HH2 TRP 30 2HH TRP 30 -3.980 -3.983 -16.033 240 H ALA 31 HN ALA 31 -6.774 -7.952 -13.231 241 HA ALA 31 HA ALA 31 -6.629 -6.934 -15.785 242 HB1 ALA 31 1HB ALA 31 -4.813 -8.001 -14.358 243 HB2 ALA 31 2HB ALA 31 -5.464 -9.582 -14.853 244 HB3 ALA 31 3HB ALA 31 -4.806 -8.469 -16.076 245 H SER 32 HN SER 32 -8.623 -9.496 -14.499 246 HA SER 32 HA SER 32 -8.885 -11.158 -16.621 247 HB2 SER 32 2HB SER 32 -10.382 -10.497 -14.226 248 HB3 SER 32 3HB SER 32 -11.507 -10.768 -15.543 249 HG SER 32 HG SER 32 -11.159 -12.858 -15.313 250 H LEU 33 HN LEU 33 -10.227 -7.881 -16.113 251 HA LEU 33 HA LEU 33 -12.210 -7.783 -17.963 252 HB2 LEU 33 2HB LEU 33 -12.204 -5.642 -17.435 253 HB3 LEU 33 3HB LEU 33 -10.855 -6.005 -16.377 254 HG LEU 33 HG LEU 33 -10.507 -5.153 -19.261 255 HD11 LEU 33 1HD1 LEU 33 -11.529 -3.268 -18.403 256 HD12 LEU 33 2HD1 LEU 33 -10.855 -3.508 -16.773 257 HD13 LEU 33 3HD1 LEU 33 -9.809 -2.931 -18.093 258 HD21 LEU 33 1HD2 LEU 33 -8.343 -5.523 -18.947 259 HD22 LEU 33 2HD2 LEU 33 -8.335 -4.471 -17.512 260 HD23 LEU 33 3HD2 LEU 33 -8.711 -6.203 -17.345 261 H TRP 34 HN TRP 34 -8.670 -7.800 -18.495 262 HA TRP 34 HA TRP 34 -8.672 -7.061 -21.168 263 HB2 TRP 34 2HB TRP 34 -6.823 -8.881 -19.619 264 HB3 TRP 34 3HB TRP 34 -6.513 -8.326 -21.252 265 HD1 TRP 34 1HD TRP 34 -5.484 -7.441 -17.916 266 HE1 TRP 34 1HE TRP 34 -4.694 -4.940 -17.613 267 HE3 TRP 34 3HE TRP 34 -7.526 -5.719 -22.242 268 HZ2 TRP 34 2HZ TRP 34 -5.004 -2.578 -19.182 269 HZ3 TRP 34 3HZ TRP 34 -7.237 -3.303 -22.782 270 HH2 TRP 34 2HH TRP 34 -6.027 -1.750 -21.333 271 H ASN 35 HN ASN 35 -8.520 -10.410 -19.737 272 HA ASN 35 HA ASN 35 -9.937 -11.285 -22.131 273 HB2 ASN 35 2HB ASN 35 -8.733 -13.528 -21.718 274 HB3 ASN 35 3HB ASN 35 -7.714 -12.217 -22.279 275 HD21 ASN 35 1HD2 ASN 35 -6.183 -11.328 -20.978 276 HD22 ASN 35 2HD2 ASN 35 -5.723 -11.961 -19.432 Start of MODEL 16 1 H1 GLY 1 HN GLY 1 -24.451 5.327 -4.558 2 HA2 GLY 1 1HA GLY 1 -26.070 3.414 -5.252 3 HA3 GLY 1 2HA GLY 1 -24.607 2.745 -5.946 4 H ILE 2 HN ILE 2 -26.029 1.413 -3.883 5 HA ILE 2 HA ILE 2 -24.712 2.015 -1.394 6 HB ILE 2 HB ILE 2 -26.939 0.339 -2.338 7 HG12 ILE 2 2HG1 ILE 2 -27.825 1.033 -0.080 8 HG13 ILE 2 3HG1 ILE 2 -26.343 1.936 0.167 9 HG21 ILE 2 1HG2 ILE 2 -24.993 -0.645 -0.282 10 HG22 ILE 2 2HG2 ILE 2 -26.732 -0.957 -0.068 11 HG23 ILE 2 3HG2 ILE 2 -25.895 -1.542 -1.527 12 HD11 ILE 2 1HD1 ILE 2 -28.455 2.377 -1.979 13 HD12 ILE 2 2HD1 ILE 2 -27.912 3.512 -0.721 14 HD13 ILE 2 3HD1 ILE 2 -26.837 3.108 -2.080 15 H GLY 3 HN GLY 3 -24.764 -0.708 -3.794 16 HA2 GLY 3 1HA GLY 3 -22.807 -2.270 -2.561 17 HA3 GLY 3 2HA GLY 3 -23.242 -2.293 -4.259 18 H ALA 4 HN ALA 4 -22.583 0.534 -4.807 19 HA ALA 4 HA ALA 4 -19.840 0.188 -5.377 20 HB1 ALA 4 1HB ALA 4 -20.135 2.047 -6.684 21 HB2 ALA 4 2HB ALA 4 -21.853 1.651 -6.435 22 HB3 ALA 4 3HB ALA 4 -21.075 2.906 -5.440 23 H LEU 5 HN LEU 5 -21.620 1.336 -2.601 24 HA LEU 5 HA LEU 5 -19.623 3.090 -1.617 25 HB2 LEU 5 2HB LEU 5 -22.256 2.456 -1.020 26 HB3 LEU 5 3HB LEU 5 -21.368 1.868 0.371 27 HG LEU 5 HG LEU 5 -22.151 4.129 0.754 28 HD11 LEU 5 1HD1 LEU 5 -20.200 5.035 1.652 29 HD12 LEU 5 2HD1 LEU 5 -19.855 3.291 1.564 30 HD13 LEU 5 3HD1 LEU 5 -19.179 4.395 0.341 31 HD21 LEU 5 1HD2 LEU 5 -20.446 5.043 -1.574 32 HD22 LEU 5 2HD2 LEU 5 -22.204 4.781 -1.670 33 HD23 LEU 5 3HD2 LEU 5 -21.548 6.017 -0.570 34 H PHE 6 HN PHE 6 -20.464 -0.381 -1.085 35 HA PHE 6 HA PHE 6 -18.408 -0.747 0.833 36 HB2 PHE 6 2HB PHE 6 -20.505 -2.131 0.602 37 HB3 PHE 6 3HB PHE 6 -20.009 -2.629 -1.003 38 HD1 PHE 6 1HD PHE 6 -19.965 -3.460 2.429 39 HD2 PHE 6 2HD PHE 6 -17.738 -3.901 -1.156 40 HE1 PHE 6 1HE PHE 6 -18.782 -5.444 3.409 41 HE2 PHE 6 2HE PHE 6 -16.554 -5.886 -0.176 42 HZ PHE 6 HZ PHE 6 -17.090 -6.634 2.095 43 H LEU 7 HN LEU 7 -18.736 -1.296 -2.715 44 HA LEU 7 HA LEU 7 -16.273 -2.647 -2.967 45 HB2 LEU 7 2HB LEU 7 -18.363 -1.543 -4.729 46 HB3 LEU 7 3HB LEU 7 -16.759 -1.601 -5.431 47 HG LEU 7 HG LEU 7 -18.035 -3.590 -5.998 48 HD11 LEU 7 1HD1 LEU 7 -16.320 -5.165 -4.443 49 HD12 LEU 7 2HD1 LEU 7 -16.025 -4.529 -6.079 50 HD13 LEU 7 3HD1 LEU 7 -15.473 -3.613 -4.656 51 HD21 LEU 7 1HD2 LEU 7 -18.025 -4.693 -3.246 52 HD22 LEU 7 2HD2 LEU 7 -19.214 -3.412 -3.584 53 HD23 LEU 7 3HD2 LEU 7 -19.198 -4.896 -4.569 54 H GLY 8 HN GLY 8 -17.286 0.786 -3.041 55 HA2 GLY 8 1HA GLY 8 -14.788 1.775 -4.000 56 HA3 GLY 8 2HA GLY 8 -16.092 2.690 -3.270 57 H PHE 9 HN PHE 9 -15.738 0.347 -1.023 58 HA PHE 9 HA PHE 9 -14.141 2.045 0.651 59 HB2 PHE 9 2HB PHE 9 -16.290 0.335 0.970 60 HB3 PHE 9 3HB PHE 9 -14.991 -0.760 1.400 61 HD1 PHE 9 1HD PHE 9 -13.676 -0.402 3.415 62 HD2 PHE 9 2HD PHE 9 -16.822 2.250 2.373 63 HE1 PHE 9 1HE PHE 9 -13.642 0.551 5.738 64 HE2 PHE 9 2HE PHE 9 -16.788 3.202 4.696 65 HZ PHE 9 HZ PHE 9 -15.199 2.342 6.350 66 H LEU 10 HN LEU 10 -13.865 -1.166 -0.951 67 HA LEU 10 HA LEU 10 -11.575 -2.030 0.350 68 HB2 LEU 10 2HB LEU 10 -12.300 -2.587 -2.523 69 HB3 LEU 10 3HB LEU 10 -11.342 -3.583 -1.445 70 HG LEU 10 HG LEU 10 -14.320 -3.144 -1.469 71 HD11 LEU 10 1HD1 LEU 10 -13.063 -5.798 -1.019 72 HD12 LEU 10 2HD1 LEU 10 -14.483 -5.341 -1.990 73 HD13 LEU 10 3HD1 LEU 10 -12.845 -5.061 -2.625 74 HD21 LEU 10 1HD2 LEU 10 -12.607 -3.825 0.890 75 HD22 LEU 10 2HD2 LEU 10 -14.090 -2.845 0.793 76 HD23 LEU 10 3HD2 LEU 10 -14.188 -4.620 0.705 77 H GLY 11 HN GLY 11 -12.075 0.404 -2.173 78 HA2 GLY 11 1HA GLY 11 -9.541 0.540 -3.290 79 HA3 GLY 11 2HA GLY 11 -10.665 1.873 -3.121 80 H ALA 12 HN ALA 12 -10.801 1.787 -0.161 81 HA ALA 12 HA ALA 12 -8.416 3.309 0.332 82 HB1 ALA 12 1HB ALA 12 -11.071 2.852 1.580 83 HB2 ALA 12 2HB ALA 12 -9.741 3.168 2.720 84 HB3 ALA 12 3HB ALA 12 -10.113 4.346 1.438 85 H ALA 13 HN ALA 13 -9.368 0.005 0.526 86 HA ALA 13 HA ALA 13 -7.813 -0.664 2.827 87 HB1 ALA 13 1HB ALA 13 -8.649 -2.611 0.679 88 HB2 ALA 13 2HB ALA 13 -8.582 -2.836 2.443 89 HB3 ALA 13 3HB ALA 13 -9.880 -1.855 1.720 90 H GLY 14 HN GLY 14 -7.440 -1.047 -0.765 91 HA2 GLY 14 1HA GLY 14 -4.640 -1.803 -0.372 92 HA3 GLY 14 2HA GLY 14 -5.573 -1.902 -1.852 93 H SER 15 HN SER 15 -5.740 1.018 0.165 94 HA SER 15 HA SER 15 -4.805 2.549 -2.027 95 HB2 SER 15 2HB SER 15 -6.223 2.998 0.477 96 HB3 SER 15 3HB SER 15 -4.944 4.182 0.302 97 HG SER 15 HG SER 15 -5.796 4.685 -1.841 98 H LYS 16 HN LYS 16 -3.304 0.834 0.524 99 HA LYS 16 HA LYS 16 -1.309 2.476 1.416 100 HB2 LYS 16 2HB LYS 16 -1.962 0.023 2.011 101 HB3 LYS 16 3HB LYS 16 -0.804 -0.423 0.775 102 HG2 LYS 16 2HG LYS 16 0.878 -0.112 2.259 103 HG3 LYS 16 3HG LYS 16 0.476 1.593 2.338 104 HD2 LYS 16 2HD LYS 16 -1.442 0.749 3.998 105 HD3 LYS 16 3HD LYS 16 -0.400 -0.649 4.170 106 HE2 LYS 16 2HE LYS 16 0.515 2.238 4.588 107 HE3 LYS 16 3HE LYS 16 0.044 1.156 5.883 108 HZ1 LYS 16 1HZ LYS 16 2.430 1.015 4.179 109 HZ2 LYS 16 2HZ LYS 16 2.312 0.800 5.789 110 H LYS 17 HN LYS 17 -1.568 0.685 -1.688 111 HA LYS 17 HA LYS 17 0.657 2.326 -2.648 112 HB2 LYS 17 2HB LYS 17 0.469 -0.655 -2.608 113 HB3 LYS 17 3HB LYS 17 1.152 0.095 -4.037 114 HG2 LYS 17 2HG LYS 17 2.946 1.071 -2.840 115 HG3 LYS 17 3HG LYS 17 2.096 1.006 -1.308 116 HD2 LYS 17 2HD LYS 17 3.022 -1.477 -2.827 117 HD3 LYS 17 3HD LYS 17 3.966 -0.706 -1.567 118 HE2 LYS 17 2HE LYS 17 2.615 -1.497 0.123 119 HE3 LYS 17 3HE LYS 17 1.143 -1.267 -0.801 120 HZ1 LYS 17 1HZ LYS 17 1.286 -3.541 -0.856 121 HZ2 LYS 17 2HZ LYS 17 2.199 -3.264 -2.175 122 H21 ACA 18 1HA ACA 18 0.556 7.576 -6.295 123 H22 ACA 18 2HA ACA 18 0.820 5.874 -6.617 124 H31 ACA 18 2HB ACA 18 -1.901 7.260 -6.487 125 H32 ACA 18 3HB ACA 18 -1.227 6.220 -5.248 126 H41 ACA 18 2HG ACA 18 -1.623 5.240 -8.104 127 H42 ACA 18 3HG ACA 18 -2.914 5.162 -6.923 128 H51 ACA 18 2HD ACA 18 -0.211 4.059 -6.151 129 H52 ACA 18 3HD ACA 18 -1.198 3.124 -7.256 130 H61 ACA 18 2HE ACA 18 -2.653 4.237 -5.010 131 H62 ACA 18 3HE ACA 18 -3.002 2.219 -5.689 132 HN61 ACA 18 HN ACA 18 -0.868 3.731 -3.631 133 H LYS 19 HN LYS 19 0.128 5.033 -8.938 134 HA LYS 19 HA LYS 19 2.149 7.008 -9.721 135 HB2 LYS 19 2HB LYS 19 2.409 4.395 -8.734 136 HB3 LYS 19 3HB LYS 19 2.738 4.257 -10.449 137 HG2 LYS 19 2HG LYS 19 4.846 4.946 -9.884 138 HG3 LYS 19 3HG LYS 19 4.140 6.550 -9.870 139 HD2 LYS 19 2HD LYS 19 5.191 6.438 -7.761 140 HD3 LYS 19 3HD LYS 19 3.526 6.050 -7.376 141 HE2 LYS 19 2HE LYS 19 4.874 3.597 -8.114 142 HE3 LYS 19 3HE LYS 19 5.872 4.437 -6.943 143 HZ1 LYS 19 1HZ LYS 19 3.617 4.711 -5.691 144 HZ2 LYS 19 2HZ LYS 19 3.118 3.459 -6.604 145 H ASN 20 HN ASN 20 0.345 4.158 -11.084 146 HA ASN 20 HA ASN 20 0.787 4.936 -13.706 147 HB2 ASN 20 2HB ASN 20 -1.250 3.125 -12.347 148 HB3 ASN 20 3HB ASN 20 -1.339 3.403 -14.075 149 HD21 ASN 20 1HD2 ASN 20 0.334 2.738 -15.431 150 HD22 ASN 20 2HD2 ASN 20 1.488 1.530 -14.971 151 H GLU 21 HN GLU 21 -0.896 5.761 -15.278 152 HA GLU 21 HA GLU 21 -2.281 7.944 -14.157 153 HB2 GLU 21 2HB GLU 21 -1.972 8.672 -16.268 154 HB3 GLU 21 3HB GLU 21 -1.414 7.083 -16.755 155 HG2 GLU 21 2HG GLU 21 -3.812 6.368 -17.071 156 HG3 GLU 21 3HG GLU 21 -4.332 7.988 -16.653 157 HE2 GLU 21 2HE GLU 21 -1.813 7.848 -19.687 158 H GLN 22 HN GLN 22 -3.013 4.613 -14.498 159 HA GLN 22 HA GLN 22 -5.664 4.660 -15.203 160 HB2 GLN 22 2HB GLN 22 -4.519 2.748 -13.138 161 HB3 GLN 22 3HB GLN 22 -5.772 2.433 -14.321 162 HG2 GLN 22 2HG GLN 22 -3.530 3.296 -15.838 163 HG3 GLN 22 3HG GLN 22 -2.866 2.232 -14.614 164 HE21 GLN 22 1HE2 GLN 22 -2.419 0.487 -15.803 165 HE22 GLN 22 2HE2 GLN 22 -3.576 -0.482 -16.653 166 H GLU 23 HN GLU 23 -4.050 5.579 -12.193 167 HA GLU 23 HA GLU 23 -6.288 5.341 -10.538 168 HB2 GLU 23 2HB GLU 23 -4.136 5.450 -9.502 169 HB3 GLU 23 3HB GLU 23 -3.696 6.911 -10.364 170 HG2 GLU 23 2HG GLU 23 -6.150 7.087 -8.651 171 HG3 GLU 23 3HG GLU 23 -4.632 6.904 -7.797 172 HE2 GLU 23 2HE GLU 23 -3.219 9.103 -7.961 173 H LEU 24 HN LEU 24 -5.340 7.652 -12.987 174 HA LEU 24 HA LEU 24 -6.467 9.982 -12.102 175 HB2 LEU 24 2HB LEU 24 -6.321 8.797 -14.874 176 HB3 LEU 24 3HB LEU 24 -6.841 10.439 -14.549 177 HG LEU 24 HG LEU 24 -4.154 9.319 -14.695 178 HD11 LEU 24 1HD1 LEU 24 -3.578 11.710 -15.053 179 HD12 LEU 24 2HD1 LEU 24 -4.869 11.117 -16.126 180 HD13 LEU 24 3HD1 LEU 24 -5.276 12.133 -14.722 181 HD21 LEU 24 1HD2 LEU 24 -4.239 9.374 -12.268 182 HD22 LEU 24 2HD2 LEU 24 -3.165 10.655 -12.882 183 HD23 LEU 24 3HD2 LEU 24 -4.799 11.063 -12.301 184 H LEU 25 HN LEU 25 -8.031 7.018 -13.335 185 HA LEU 25 HA LEU 25 -10.584 8.194 -13.645 186 HB2 LEU 25 2HB LEU 25 -9.923 6.200 -14.836 187 HB3 LEU 25 3HB LEU 25 -9.681 5.329 -13.334 188 HG LEU 25 HG LEU 25 -12.160 5.677 -12.866 189 HD11 LEU 25 1HD1 LEU 25 -11.994 7.342 -15.110 190 HD12 LEU 25 2HD1 LEU 25 -12.897 5.908 -15.655 191 HD13 LEU 25 3HD1 LEU 25 -13.463 6.833 -14.243 192 HD21 LEU 25 1HD2 LEU 25 -12.417 3.581 -13.564 193 HD22 LEU 25 2HD2 LEU 25 -12.225 4.044 -15.271 194 HD23 LEU 25 3HD2 LEU 25 -10.789 3.709 -14.274 195 H GLU 26 HN GLU 26 -8.787 6.706 -10.942 196 HA GLU 26 HA GLU 26 -11.103 6.598 -9.301 197 HB2 GLU 26 2HB GLU 26 -8.519 5.470 -9.261 198 HB3 GLU 26 3HB GLU 26 -8.542 6.537 -7.870 199 HG2 GLU 26 2HG GLU 26 -10.531 5.455 -6.969 200 HG3 GLU 26 3HG GLU 26 -10.779 4.545 -8.445 201 HE2 GLU 26 2HE GLU 26 -9.115 3.408 -5.412 202 H LEU 27 HN LEU 27 -8.679 8.979 -10.160 203 HA LEU 27 HA LEU 27 -8.736 10.529 -7.830 204 HB2 LEU 27 2HB LEU 27 -6.987 10.777 -9.422 205 HB3 LEU 27 3HB LEU 27 -8.113 11.149 -10.713 206 HG LEU 27 HG LEU 27 -6.741 13.059 -9.645 207 HD11 LEU 27 1HD1 LEU 27 -9.730 13.482 -9.856 208 HD12 LEU 27 2HD1 LEU 27 -8.429 14.657 -10.164 209 HD13 LEU 27 3HD1 LEU 27 -8.655 13.272 -11.259 210 HD21 LEU 27 1HD2 LEU 27 -6.997 12.805 -7.350 211 HD22 LEU 27 2HD2 LEU 27 -8.115 14.136 -7.736 212 HD23 LEU 27 3HD2 LEU 27 -8.745 12.492 -7.473 213 H ASP 28 HN ASP 28 -10.686 10.655 -10.880 214 HA ASP 28 HA ASP 28 -12.225 12.808 -9.882 215 HB2 ASP 28 2HB ASP 28 -12.583 10.893 -12.231 216 HB3 ASP 28 3HB ASP 28 -13.699 12.206 -11.908 217 HD2 ASP 28 2HD ASP 28 -12.613 14.292 -13.476 218 H LYS 29 HN LYS 29 -12.176 9.339 -9.547 219 HA LYS 29 HA LYS 29 -14.974 8.964 -9.169 220 HB2 LYS 29 2HB LYS 29 -13.268 7.236 -9.939 221 HB3 LYS 29 3HB LYS 29 -12.727 7.145 -8.275 222 HG2 LYS 29 2HG LYS 29 -15.689 6.917 -8.773 223 HG3 LYS 29 3HG LYS 29 -14.690 5.557 -9.246 224 HD2 LYS 29 2HD LYS 29 -13.744 6.300 -6.672 225 HD3 LYS 29 3HD LYS 29 -15.490 6.414 -6.563 226 HE2 LYS 29 2HE LYS 29 -15.804 4.139 -6.865 227 HE3 LYS 29 3HE LYS 29 -14.454 3.986 -7.972 228 HZ1 LYS 29 1HZ LYS 29 -13.976 2.925 -5.833 229 HZ2 LYS 29 2HZ LYS 29 -12.942 4.162 -6.066 230 H TRP 30 HN TRP 30 -12.101 9.476 -7.052 231 HA TRP 30 HA TRP 30 -13.775 9.357 -4.698 232 HB2 TRP 30 2HB TRP 30 -11.839 9.309 -3.475 233 HB3 TRP 30 3HB TRP 30 -11.361 8.492 -4.949 234 HD1 TRP 30 1HD TRP 30 -9.282 9.518 -6.215 235 HE1 TRP 30 1HE TRP 30 -7.705 11.621 -5.980 236 HE3 TRP 30 3HE TRP 30 -12.071 11.871 -2.674 237 HZ2 TRP 30 2HZ TRP 30 -7.799 13.980 -4.377 238 HZ3 TRP 30 3HZ TRP 30 -11.259 14.069 -1.827 239 HH2 TRP 30 2HH TRP 30 -9.201 15.125 -2.620 240 H ALA 31 HN ALA 31 -11.629 11.763 -6.391 241 HA ALA 31 HA ALA 31 -12.277 13.948 -4.846 242 HB1 ALA 31 1HB ALA 31 -10.462 13.719 -6.593 243 HB2 ALA 31 2HB ALA 31 -11.716 13.948 -7.835 244 HB3 ALA 31 3HB ALA 31 -11.373 15.246 -6.668 245 H SER 32 HN SER 32 -14.227 12.141 -7.109 246 HA SER 32 HA SER 32 -15.886 14.036 -8.102 247 HB2 SER 32 2HB SER 32 -15.916 11.164 -7.709 248 HB3 SER 32 3HB SER 32 -17.517 11.798 -7.380 249 HG SER 32 HG SER 32 -16.960 11.212 -9.692 250 H LEU 33 HN LEU 33 -15.760 12.611 -4.824 251 HA LEU 33 HA LEU 33 -18.199 13.264 -3.825 252 HB2 LEU 33 2HB LEU 33 -17.285 12.572 -1.941 253 HB3 LEU 33 3HB LEU 33 -15.801 12.351 -2.846 254 HG LEU 33 HG LEU 33 -16.460 14.967 -1.490 255 HD11 LEU 33 1HD1 LEU 33 -15.058 12.563 -0.293 256 HD12 LEU 33 2HD1 LEU 33 -15.041 14.203 0.401 257 HD13 LEU 33 3HD1 LEU 33 -16.576 13.315 0.255 258 HD21 LEU 33 1HD2 LEU 33 -14.385 14.126 -3.213 259 HD22 LEU 33 2HD2 LEU 33 -14.526 15.660 -2.322 260 HD23 LEU 33 3HD2 LEU 33 -13.672 14.279 -1.589 261 H TRP 34 HN TRP 34 -15.360 15.424 -4.339 262 HA TRP 34 HA TRP 34 -16.118 17.661 -3.056 263 HB2 TRP 34 2HB TRP 34 -14.884 17.373 -5.797 264 HB3 TRP 34 3HB TRP 34 -15.037 18.909 -4.966 265 HD1 TRP 34 1HD TRP 34 -12.521 16.340 -5.444 266 HE1 TRP 34 1HE TRP 34 -10.617 16.307 -3.617 267 HE3 TRP 34 3HE TRP 34 -14.996 19.216 -2.060 268 HZ2 TRP 34 2HZ TRP 34 -10.366 17.462 -1.019 269 HZ3 TRP 34 3HZ TRP 34 -13.851 19.717 0.096 270 HH2 TRP 34 2HH TRP 34 -11.616 18.891 0.640 271 H ASN 35 HN ASN 35 -17.038 16.873 -6.495 272 HA ASN 35 HA ASN 35 -18.847 18.925 -6.725 273 HB2 ASN 35 2HB ASN 35 -18.589 16.212 -8.094 274 HB3 ASN 35 3HB ASN 35 -19.877 17.314 -8.540 275 HD21 ASN 35 1HD2 ASN 35 -16.636 16.457 -8.927 276 HD22 ASN 35 2HD2 ASN 35 -16.084 17.794 -9.880 Start of MODEL 17 1 H1 GLY 1 HN GLY 1 -29.295 -0.465 -1.166 2 HA2 GLY 1 1HA GLY 1 -27.169 -1.079 -2.527 3 HA3 GLY 1 2HA GLY 1 -27.837 0.536 -2.650 4 H ILE 2 HN ILE 2 -26.588 -0.232 0.506 5 HA ILE 2 HA ILE 2 -24.580 1.756 0.254 6 HB ILE 2 HB ILE 2 -26.042 0.890 2.283 7 HG12 ILE 2 2HG1 ILE 2 -24.225 1.892 3.800 8 HG13 ILE 2 3HG1 ILE 2 -23.269 2.089 2.344 9 HG21 ILE 2 1HG2 ILE 2 -24.663 -0.433 3.852 10 HG22 ILE 2 2HG2 ILE 2 -25.122 -1.343 2.391 11 HG23 ILE 2 3HG2 ILE 2 -23.472 -0.693 2.554 12 HD11 ILE 2 1HD1 ILE 2 -25.395 3.764 3.309 13 HD12 ILE 2 2HD1 ILE 2 -24.407 3.977 1.844 14 HD13 ILE 2 3HD1 ILE 2 -25.923 3.047 1.769 15 H GLY 3 HN GLY 3 -24.741 -1.737 -0.193 16 HA2 GLY 3 1HA GLY 3 -22.128 -2.504 0.259 17 HA3 GLY 3 2HA GLY 3 -23.210 -3.209 -0.925 18 H ALA 4 HN ALA 4 -23.590 -0.788 -2.551 19 HA ALA 4 HA ALA 4 -21.481 -1.097 -4.324 20 HB1 ALA 4 1HB ALA 4 -22.673 0.375 -5.625 21 HB2 ALA 4 2HB ALA 4 -23.942 -0.021 -4.441 22 HB3 ALA 4 3HB ALA 4 -23.000 1.478 -4.267 23 H LEU 5 HN LEU 5 -21.925 1.032 -1.504 24 HA LEU 5 HA LEU 5 -19.768 2.758 -2.183 25 HB2 LEU 5 2HB LEU 5 -21.882 2.940 -0.535 26 HB3 LEU 5 3HB LEU 5 -20.664 2.458 0.628 27 HG LEU 5 HG LEU 5 -20.757 4.823 0.667 28 HD11 LEU 5 1HD1 LEU 5 -18.552 5.049 0.775 29 HD12 LEU 5 2HD1 LEU 5 -18.411 3.449 0.007 30 HD13 LEU 5 3HD1 LEU 5 -18.389 4.921 -0.993 31 HD21 LEU 5 1HD2 LEU 5 -20.501 6.245 -1.316 32 HD22 LEU 5 2HD2 LEU 5 -20.459 4.796 -2.349 33 HD23 LEU 5 3HD2 LEU 5 -21.932 5.195 -1.435 34 H PHE 6 HN PHE 6 -20.202 -0.070 0.037 35 HA PHE 6 HA PHE 6 -17.660 -0.052 1.105 36 HB2 PHE 6 2HB PHE 6 -19.629 -1.452 1.826 37 HB3 PHE 6 3HB PHE 6 -19.567 -2.335 0.313 38 HD1 PHE 6 1HD PHE 6 -17.578 -3.810 -0.154 39 HD2 PHE 6 2HD PHE 6 -18.278 -2.085 3.660 40 HE1 PHE 6 1HE PHE 6 -16.034 -5.491 0.890 41 HE2 PHE 6 2HE PHE 6 -16.733 -3.766 4.704 42 HZ PHE 6 HZ PHE 6 -15.630 -5.449 3.306 43 H LEU 7 HN LEU 7 -18.882 -1.395 -1.996 44 HA LEU 7 HA LEU 7 -16.535 -2.838 -2.592 45 HB2 LEU 7 2HB LEU 7 -19.007 -2.002 -4.003 46 HB3 LEU 7 3HB LEU 7 -17.628 -2.402 -5.005 47 HG LEU 7 HG LEU 7 -19.329 -4.247 -4.476 48 HD11 LEU 7 1HD1 LEU 7 -16.911 -5.587 -3.745 49 HD12 LEU 7 2HD1 LEU 7 -17.729 -5.523 -5.324 50 HD13 LEU 7 3HD1 LEU 7 -16.522 -4.286 -4.898 51 HD21 LEU 7 1HD2 LEU 7 -18.998 -3.542 -1.894 52 HD22 LEU 7 2HD2 LEU 7 -19.526 -5.159 -2.421 53 HD23 LEU 7 3HD2 LEU 7 -17.820 -4.872 -2.003 54 H GLY 8 HN GLY 8 -17.634 0.527 -3.162 55 HA2 GLY 8 1HA GLY 8 -15.406 1.175 -4.858 56 HA3 GLY 8 2HA GLY 8 -16.597 2.269 -4.184 57 H PHE 9 HN PHE 9 -15.952 0.875 -1.411 58 HA PHE 9 HA PHE 9 -14.020 2.845 -0.666 59 HB2 PHE 9 2HB PHE 9 -16.138 1.437 0.501 60 HB3 PHE 9 3HB PHE 9 -14.763 0.567 1.152 61 HD1 PHE 9 1HD PHE 9 -16.082 4.031 0.765 62 HD2 PHE 9 2HD PHE 9 -13.698 1.367 3.053 63 HE1 PHE 9 1HE PHE 9 -15.795 5.797 2.524 64 HE2 PHE 9 2HE PHE 9 -13.412 3.134 4.813 65 HZ PHE 9 HZ PHE 9 -14.465 5.328 4.527 66 H LEU 10 HN LEU 10 -13.889 -0.382 -1.885 67 HA LEU 10 HA LEU 10 -11.660 -1.307 -0.425 68 HB2 LEU 10 2HB LEU 10 -12.702 -2.105 -3.146 69 HB3 LEU 10 3HB LEU 10 -11.516 -2.991 -2.210 70 HG LEU 10 HG LEU 10 -14.416 -2.523 -1.472 71 HD11 LEU 10 1HD1 LEU 10 -14.716 -4.282 -2.816 72 HD12 LEU 10 2HD1 LEU 10 -12.977 -4.664 -2.867 73 HD13 LEU 10 3HD1 LEU 10 -13.975 -5.234 -1.507 74 HD21 LEU 10 1HD2 LEU 10 -13.729 -4.279 0.359 75 HD22 LEU 10 2HD2 LEU 10 -12.111 -3.576 0.124 76 HD23 LEU 10 3HD2 LEU 10 -13.469 -2.538 0.619 77 H GLY 11 HN GLY 11 -12.086 1.027 -2.989 78 HA2 GLY 11 1HA GLY 11 -9.628 0.843 -4.304 79 HA3 GLY 11 2HA GLY 11 -10.627 2.275 -4.154 80 H ALA 12 HN ALA 12 -10.618 2.571 -1.283 81 HA ALA 12 HA ALA 12 -7.955 3.663 -0.999 82 HB1 ALA 12 1HB ALA 12 -9.240 4.317 1.293 83 HB2 ALA 12 2HB ALA 12 -9.429 5.232 -0.222 84 HB3 ALA 12 3HB ALA 12 -10.644 4.018 0.242 85 H ALA 13 HN ALA 13 -9.125 0.629 -0.704 86 HA ALA 13 HA ALA 13 -7.999 0.077 1.919 87 HB1 ALA 13 1HB ALA 13 -9.151 -1.936 -0.026 88 HB2 ALA 13 2HB ALA 13 -9.095 -2.002 1.752 89 HB3 ALA 13 3HB ALA 13 -10.209 -0.877 0.939 90 H GLY 14 HN GLY 14 -6.485 0.983 -0.651 91 HA2 GLY 14 1HA GLY 14 -4.957 -1.237 -1.533 92 HA3 GLY 14 2HA GLY 14 -4.586 0.463 -1.747 93 H SER 15 HN SER 15 -4.875 0.807 1.341 94 HA SER 15 HA SER 15 -2.210 -0.229 1.908 95 HB2 SER 15 2HB SER 15 -3.542 2.088 3.353 96 HB3 SER 15 3HB SER 15 -1.840 1.672 3.328 97 HG SER 15 HG SER 15 -3.139 3.359 1.688 98 H LYS 16 HN LYS 16 -5.535 -0.577 2.571 99 HA LYS 16 HA LYS 16 -5.422 -1.083 5.351 100 HB2 LYS 16 2HB LYS 16 -7.407 -1.434 3.148 101 HB3 LYS 16 3HB LYS 16 -7.643 -2.377 4.606 102 HG2 LYS 16 2HG LYS 16 -7.661 -0.369 5.996 103 HG3 LYS 16 3HG LYS 16 -7.156 0.635 4.651 104 HD2 LYS 16 2HD LYS 16 -9.260 0.521 3.589 105 HD3 LYS 16 3HD LYS 16 -9.695 -0.984 4.373 106 HE2 LYS 16 2HE LYS 16 -10.200 0.090 6.445 107 HE3 LYS 16 3HE LYS 16 -9.297 1.533 6.025 108 HZ1 LYS 16 1HZ LYS 16 -11.643 1.961 5.752 109 HZ2 LYS 16 2HZ LYS 16 -10.988 1.945 4.262 110 H LYS 17 HN LYS 17 -5.138 -3.107 2.384 111 HA LYS 17 HA LYS 17 -4.982 -5.529 3.862 112 HB2 LYS 17 2HB LYS 17 -4.734 -4.685 1.013 113 HB3 LYS 17 3HB LYS 17 -3.973 -6.197 1.465 114 HG2 LYS 17 2HG LYS 17 -6.099 -6.998 1.009 115 HG3 LYS 17 3HG LYS 17 -6.315 -6.621 2.708 116 HD2 LYS 17 2HD LYS 17 -7.277 -4.408 2.124 117 HD3 LYS 17 3HD LYS 17 -6.993 -4.710 0.421 118 HE2 LYS 17 2HE LYS 17 -9.383 -5.172 1.327 119 HE3 LYS 17 3HE LYS 17 -8.664 -6.398 0.302 120 HZ1 LYS 17 1HZ LYS 17 -9.646 -7.315 2.367 121 HZ2 LYS 17 2HZ LYS 17 -8.058 -7.656 2.269 122 H21 ACA 18 1HA ACA 18 -0.854 -8.030 0.645 123 H22 ACA 18 2HA ACA 18 -0.108 -8.823 2.018 124 H31 ACA 18 2HB ACA 18 -2.970 -8.121 2.439 125 H32 ACA 18 3HB ACA 18 -1.928 -6.735 2.186 126 H41 ACA 18 2HG ACA 18 -0.889 -8.828 4.064 127 H42 ACA 18 3HG ACA 18 -2.283 -7.923 4.620 128 H51 ACA 18 2HD ACA 18 -0.127 -6.268 3.385 129 H52 ACA 18 3HD ACA 18 0.325 -7.070 4.876 130 H61 ACA 18 2HE ACA 18 -1.274 -6.061 6.110 131 H62 ACA 18 3HE ACA 18 -0.604 -4.289 5.076 132 HN61 ACA 18 HN ACA 18 -3.343 -5.987 5.226 133 H LYS 19 HN LYS 19 -1.143 -10.992 2.802 134 HA LYS 19 HA LYS 19 -0.591 -11.728 0.023 135 HB2 LYS 19 2HB LYS 19 0.657 -12.621 2.636 136 HB3 LYS 19 3HB LYS 19 1.018 -13.349 1.085 137 HG2 LYS 19 2HG LYS 19 1.276 -10.349 1.550 138 HG3 LYS 19 3HG LYS 19 2.591 -11.455 1.896 139 HD2 LYS 19 2HD LYS 19 2.505 -12.276 -0.480 140 HD3 LYS 19 3HD LYS 19 1.221 -11.132 -0.817 141 HE2 LYS 19 2HE LYS 19 3.335 -9.644 0.430 142 HE3 LYS 19 3HE LYS 19 4.088 -10.675 -0.771 143 HZ1 LYS 19 1HZ LYS 19 3.332 -8.561 -1.730 144 HZ2 LYS 19 2HZ LYS 19 2.537 -9.799 -2.428 145 H ASN 20 HN ASN 20 -1.555 -13.290 3.164 146 HA ASN 20 HA ASN 20 -3.082 -15.158 1.540 147 HB2 ASN 20 2HB ASN 20 -1.266 -15.911 3.289 148 HB3 ASN 20 3HB ASN 20 -2.445 -15.469 4.507 149 HD21 ASN 20 1HD2 ASN 20 -2.001 -17.854 4.871 150 HD22 ASN 20 2HD2 ASN 20 -3.080 -18.985 4.124 151 H GLU 21 HN GLU 21 -5.337 -15.567 2.146 152 HA GLU 21 HA GLU 21 -6.683 -13.330 3.064 153 HB2 GLU 21 2HB GLU 21 -8.306 -14.477 1.997 154 HB3 GLU 21 3HB GLU 21 -7.322 -15.927 1.984 155 HG2 GLU 21 2HG GLU 21 -8.085 -16.440 4.328 156 HG3 GLU 21 3HG GLU 21 -9.106 -15.016 4.293 157 HE2 GLU 21 2HE GLU 21 -9.991 -18.391 3.531 158 H GLN 22 HN GLN 22 -4.959 -15.757 4.780 159 HA GLN 22 HA GLN 22 -6.511 -16.121 7.007 160 HB2 GLN 22 2HB GLN 22 -4.603 -17.068 7.977 161 HB3 GLN 22 3HB GLN 22 -4.228 -17.186 6.269 162 HG2 GLN 22 2HG GLN 22 -3.077 -14.857 6.546 163 HG3 GLN 22 3HG GLN 22 -3.184 -15.146 8.271 164 HE21 GLN 22 1HE2 GLN 22 -0.939 -15.004 6.262 165 HE22 GLN 22 2HE2 GLN 22 0.021 -16.420 6.531 166 H GLU 23 HN GLU 23 -4.619 -13.329 5.949 167 HA GLU 23 HA GLU 23 -4.367 -12.132 8.460 168 HB2 GLU 23 2HB GLU 23 -3.082 -11.594 6.308 169 HB3 GLU 23 3HB GLU 23 -4.496 -10.708 5.770 170 HG2 GLU 23 2HG GLU 23 -3.522 -10.059 8.530 171 HG3 GLU 23 3HG GLU 23 -2.465 -9.580 7.216 172 HE2 GLU 23 2HE GLU 23 -4.625 -6.767 7.485 173 H LEU 24 HN LEU 24 -7.003 -12.399 6.132 174 HA LEU 24 HA LEU 24 -8.505 -10.197 6.585 175 HB2 LEU 24 2HB LEU 24 -9.355 -13.075 6.270 176 HB3 LEU 24 3HB LEU 24 -10.476 -11.729 6.242 177 HG LEU 24 HG LEU 24 -8.723 -12.750 4.151 178 HD11 LEU 24 1HD1 LEU 24 -10.324 -11.509 2.714 179 HD12 LEU 24 2HD1 LEU 24 -11.110 -12.612 3.870 180 HD13 LEU 24 3HD1 LEU 24 -11.090 -10.861 4.186 181 HD21 LEU 24 1HD2 LEU 24 -8.684 -9.760 4.643 182 HD22 LEU 24 2HD2 LEU 24 -7.296 -10.871 4.738 183 HD23 LEU 24 3HD2 LEU 24 -8.099 -10.581 3.176 184 H LEU 25 HN LEU 25 -8.204 -13.107 8.701 185 HA LEU 25 HA LEU 25 -10.120 -12.307 10.562 186 HB2 LEU 25 2HB LEU 25 -7.836 -14.219 10.494 187 HB3 LEU 25 3HB LEU 25 -8.514 -13.809 12.057 188 HG LEU 25 HG LEU 25 -10.568 -14.492 10.079 189 HD11 LEU 25 1HD1 LEU 25 -8.891 -16.824 10.954 190 HD12 LEU 25 2HD1 LEU 25 -10.079 -16.705 9.632 191 HD13 LEU 25 3HD1 LEU 25 -8.484 -15.930 9.469 192 HD21 LEU 25 1HD2 LEU 25 -10.449 -14.336 12.773 193 HD22 LEU 25 2HD2 LEU 25 -11.655 -15.296 11.883 194 HD23 LEU 25 3HD2 LEU 25 -10.204 -16.085 12.548 195 H GLU 26 HN GLU 26 -6.593 -11.632 10.270 196 HA GLU 26 HA GLU 26 -6.445 -10.310 12.730 197 HB2 GLU 26 2HB GLU 26 -4.617 -11.234 10.928 198 HB3 GLU 26 3HB GLU 26 -4.561 -9.524 10.543 199 HG2 GLU 26 2HG GLU 26 -4.479 -9.339 13.256 200 HG3 GLU 26 3HG GLU 26 -3.769 -10.932 13.077 201 HE2 GLU 26 2HE GLU 26 -1.387 -8.081 12.820 202 H LEU 27 HN LEU 27 -7.542 -9.385 9.508 203 HA LEU 27 HA LEU 27 -7.165 -6.630 9.681 204 HB2 LEU 27 2HB LEU 27 -7.884 -8.235 7.737 205 HB3 LEU 27 3HB LEU 27 -9.508 -7.851 8.273 206 HG LEU 27 HG LEU 27 -7.563 -5.634 7.684 207 HD11 LEU 27 1HD1 LEU 27 -8.875 -7.450 5.712 208 HD12 LEU 27 2HD1 LEU 27 -8.805 -5.710 5.345 209 HD13 LEU 27 3HD1 LEU 27 -7.303 -6.617 5.642 210 HD21 LEU 27 1HD2 LEU 27 -10.553 -5.933 7.824 211 HD22 LEU 27 2HD2 LEU 27 -9.487 -4.780 8.664 212 HD23 LEU 27 3HD2 LEU 27 -9.805 -4.592 6.923 213 H ASP 28 HN ASP 28 -9.837 -8.776 10.800 214 HA ASP 28 HA ASP 28 -11.303 -6.525 11.745 215 HB2 ASP 28 2HB ASP 28 -12.370 -8.645 10.902 216 HB3 ASP 28 3HB ASP 28 -11.682 -9.512 12.261 217 HD2 ASP 28 2HD ASP 28 -13.177 -9.380 14.258 218 H LYS 29 HN LYS 29 -9.056 -9.031 12.953 219 HA LYS 29 HA LYS 29 -9.577 -8.797 15.679 220 HB2 LYS 29 2HB LYS 29 -8.025 -10.391 15.803 221 HB3 LYS 29 3HB LYS 29 -7.928 -10.313 14.055 222 HG2 LYS 29 2HG LYS 29 -6.112 -8.643 14.184 223 HG3 LYS 29 3HG LYS 29 -6.262 -8.567 15.929 224 HD2 LYS 29 2HD LYS 29 -5.730 -11.076 15.986 225 HD3 LYS 29 3HD LYS 29 -5.366 -10.970 14.275 226 HE2 LYS 29 2HE LYS 29 -3.240 -10.498 14.994 227 HE3 LYS 29 3HE LYS 29 -3.860 -8.872 15.200 228 HZ1 LYS 29 1HZ LYS 29 -3.626 -10.952 17.301 229 HZ2 LYS 29 2HZ LYS 29 -2.875 -9.508 17.258 230 H TRP 30 HN TRP 30 -7.494 -6.907 13.443 231 HA TRP 30 HA TRP 30 -6.513 -5.299 15.636 232 HB2 TRP 30 2HB TRP 30 -5.014 -4.401 14.143 233 HB3 TRP 30 3HB TRP 30 -5.198 -6.045 13.563 234 HD1 TRP 30 1HD TRP 30 -5.657 -6.219 10.996 235 HE1 TRP 30 1HE TRP 30 -6.493 -4.672 9.029 236 HE3 TRP 30 3HE TRP 30 -6.757 -2.205 13.917 237 HZ2 TRP 30 2HZ TRP 30 -7.497 -2.003 8.917 238 HZ3 TRP 30 3HZ TRP 30 -7.660 -0.168 12.800 239 HH2 TRP 30 2HH TRP 30 -8.034 -0.027 10.389 240 H ALA 31 HN ALA 31 -8.589 -4.966 12.674 241 HA ALA 31 HA ALA 31 -9.277 -2.306 13.062 242 HB1 ALA 31 1HB ALA 31 -11.158 -2.845 11.547 243 HB2 ALA 31 2HB ALA 31 -9.637 -3.574 10.979 244 HB3 ALA 31 3HB ALA 31 -10.856 -4.581 11.794 245 H SER 32 HN SER 32 -10.105 -5.161 14.867 246 HA SER 32 HA SER 32 -12.631 -4.548 15.714 247 HB2 SER 32 2HB SER 32 -10.360 -6.193 16.694 248 HB3 SER 32 3HB SER 32 -11.482 -5.709 17.949 249 HG SER 32 HG SER 32 -11.781 -7.669 16.107 250 H LEU 33 HN LEU 33 -9.520 -3.080 16.497 251 HA LEU 33 HA LEU 33 -9.978 -2.020 18.977 252 HB2 LEU 33 2HB LEU 33 -8.016 -1.088 18.602 253 HB3 LEU 33 3HB LEU 33 -8.055 -1.834 17.017 254 HG LEU 33 HG LEU 33 -9.233 0.904 17.495 255 HD11 LEU 33 1HD1 LEU 33 -7.129 1.458 18.165 256 HD12 LEU 33 2HD1 LEU 33 -6.364 0.120 17.276 257 HD13 LEU 33 3HD1 LEU 33 -6.903 1.575 16.404 258 HD21 LEU 33 1HD2 LEU 33 -8.062 0.618 14.933 259 HD22 LEU 33 2HD2 LEU 33 -9.013 -0.854 15.242 260 HD23 LEU 33 3HD2 LEU 33 -9.787 0.743 15.355 261 H TRP 34 HN TRP 34 -11.165 -0.917 15.770 262 HA TRP 34 HA TRP 34 -12.145 1.544 16.456 263 HB2 TRP 34 2HB TRP 34 -13.270 -0.525 14.562 264 HB3 TRP 34 3HB TRP 34 -13.835 1.131 14.655 265 HD1 TRP 34 1HD TRP 34 -11.468 -0.867 12.709 266 HE1 TRP 34 1HE TRP 34 -9.662 0.554 11.412 267 HE3 TRP 34 3HE TRP 34 -12.263 3.454 15.269 268 HZ2 TRP 34 2HZ TRP 34 -8.789 3.265 11.596 269 HZ3 TRP 34 3HZ TRP 34 -10.891 5.441 14.648 270 HH2 TRP 34 2HH TRP 34 -9.203 5.394 12.882 271 H ASN 35 HN ASN 35 -13.826 -1.682 16.633 272 HA ASN 35 HA ASN 35 -15.422 -0.525 18.774 273 HB2 ASN 35 2HB ASN 35 -16.689 -2.622 17.026 274 HB3 ASN 35 3HB ASN 35 -17.440 -1.267 17.846 275 HD21 ASN 35 1HD2 ASN 35 -15.477 -2.259 15.108 276 HD22 ASN 35 2HD2 ASN 35 -15.808 -0.910 14.073 Start of MODEL 18 1 H1 GLY 1 HN GLY 1 -25.969 -0.689 -5.040 2 HA2 GLY 1 1HA GLY 1 -27.884 -0.378 -3.566 3 HA3 GLY 1 2HA GLY 1 -27.493 -1.913 -2.816 4 H ILE 2 HN ILE 2 -26.893 -1.387 -0.736 5 HA ILE 2 HA ILE 2 -25.421 0.981 -0.180 6 HB ILE 2 HB ILE 2 -27.110 -0.167 1.296 7 HG12 ILE 2 2HG1 ILE 2 -24.610 0.197 2.887 8 HG13 ILE 2 3HG1 ILE 2 -25.138 1.542 1.895 9 HG21 ILE 2 1HG2 ILE 2 -26.247 -2.463 1.026 10 HG22 ILE 2 2HG2 ILE 2 -24.784 -2.004 1.929 11 HG23 ILE 2 3HG2 ILE 2 -26.371 -1.973 2.733 12 HD11 ILE 2 1HD1 ILE 2 -27.455 1.299 2.939 13 HD12 ILE 2 2HD1 ILE 2 -26.738 0.121 4.066 14 HD13 ILE 2 3HD1 ILE 2 -26.173 1.809 4.064 15 H GLY 3 HN GLY 3 -24.659 -2.459 -0.763 16 HA2 GLY 3 1HA GLY 3 -22.047 -2.502 0.223 17 HA3 GLY 3 2HA GLY 3 -22.703 -3.526 -1.039 18 H ALA 4 HN ALA 4 -23.441 -1.226 -2.821 19 HA ALA 4 HA ALA 4 -21.155 -1.127 -4.360 20 HB1 ALA 4 1HB ALA 4 -22.439 0.163 -5.772 21 HB2 ALA 4 2HB ALA 4 -23.731 -0.487 -4.735 22 HB3 ALA 4 3HB ALA 4 -23.099 1.152 -4.448 23 H LEU 5 HN LEU 5 -21.969 0.576 -1.426 24 HA LEU 5 HA LEU 5 -20.235 2.800 -1.943 25 HB2 LEU 5 2HB LEU 5 -22.378 2.471 -0.377 26 HB3 LEU 5 3HB LEU 5 -21.135 2.101 0.802 27 HG LEU 5 HG LEU 5 -20.047 4.327 0.124 28 HD11 LEU 5 1HD1 LEU 5 -20.979 5.660 -1.392 29 HD12 LEU 5 2HD1 LEU 5 -22.050 4.302 -1.817 30 HD13 LEU 5 3HD1 LEU 5 -22.583 5.520 -0.633 31 HD21 LEU 5 1HD2 LEU 5 -20.834 4.649 2.189 32 HD22 LEU 5 2HD2 LEU 5 -22.191 5.488 1.400 33 HD23 LEU 5 3HD2 LEU 5 -22.347 3.774 1.851 34 H PHE 6 HN PHE 6 -20.050 -0.427 -0.453 35 HA PHE 6 HA PHE 6 -17.568 0.080 0.840 36 HB2 PHE 6 2HB PHE 6 -18.164 -1.974 1.736 37 HB3 PHE 6 3HB PHE 6 -19.631 -1.864 0.784 38 HD1 PHE 6 1HD PHE 6 -20.122 -3.645 -0.584 39 HD2 PHE 6 2HD PHE 6 -16.052 -2.837 0.303 40 HE1 PHE 6 1HE PHE 6 -19.436 -5.683 -1.879 41 HE2 PHE 6 2HE PHE 6 -15.365 -4.876 -0.991 42 HZ PHE 6 HZ PHE 6 -17.065 -6.275 -2.067 43 H LEU 7 HN LEU 7 -18.623 -1.199 -2.337 44 HA LEU 7 HA LEU 7 -16.282 -2.407 -3.132 45 HB2 LEU 7 2HB LEU 7 -18.591 -1.118 -4.502 46 HB3 LEU 7 3HB LEU 7 -17.172 -1.485 -5.461 47 HG LEU 7 HG LEU 7 -18.584 -3.331 -5.735 48 HD11 LEU 7 1HD1 LEU 7 -16.798 -4.300 -3.502 49 HD12 LEU 7 2HD1 LEU 7 -17.329 -5.167 -4.963 50 HD13 LEU 7 3HD1 LEU 7 -16.168 -3.824 -5.097 51 HD21 LEU 7 1HD2 LEU 7 -19.399 -4.588 -3.582 52 HD22 LEU 7 2HD2 LEU 7 -19.181 -2.997 -2.817 53 HD23 LEU 7 3HD2 LEU 7 -20.289 -3.176 -4.200 54 H GLY 8 HN GLY 8 -17.303 1.052 -3.545 55 HA2 GLY 8 1HA GLY 8 -14.929 1.901 -4.785 56 HA3 GLY 8 2HA GLY 8 -16.100 2.905 -3.953 57 H PHE 9 HN PHE 9 -15.659 1.019 -1.465 58 HA PHE 9 HA PHE 9 -13.666 2.695 -0.299 59 HB2 PHE 9 2HB PHE 9 -15.879 1.091 0.471 60 HB3 PHE 9 3HB PHE 9 -14.507 0.201 1.103 61 HD1 PHE 9 1HD PHE 9 -16.428 3.307 1.333 62 HD2 PHE 9 2HD PHE 9 -13.147 1.114 2.893 63 HE1 PHE 9 1HE PHE 9 -16.344 4.842 3.317 64 HE2 PHE 9 2HE PHE 9 -13.065 2.649 4.876 65 HZ PHE 9 HZ PHE 9 -14.663 4.495 5.065 66 H LEU 10 HN LEU 10 -13.765 -0.472 -1.844 67 HA LEU 10 HA LEU 10 -11.649 -1.725 -0.602 68 HB2 LEU 10 2HB LEU 10 -12.627 -1.826 -3.454 69 HB3 LEU 10 3HB LEU 10 -11.400 -2.900 -2.815 70 HG LEU 10 HG LEU 10 -14.252 -2.684 -1.810 71 HD11 LEU 10 1HD1 LEU 10 -14.444 -3.749 -3.862 72 HD12 LEU 10 2HD1 LEU 10 -12.880 -4.583 -3.697 73 HD13 LEU 10 3HD1 LEU 10 -14.276 -5.108 -2.725 74 HD21 LEU 10 1HD2 LEU 10 -11.844 -4.009 -0.727 75 HD22 LEU 10 2HD2 LEU 10 -13.336 -3.476 0.085 76 HD23 LEU 10 3HD2 LEU 10 -13.308 -5.019 -0.802 77 H GLY 11 HN GLY 11 -11.714 1.077 -2.727 78 HA2 GLY 11 1HA GLY 11 -9.142 0.995 -3.793 79 HA3 GLY 11 2HA GLY 11 -10.088 2.434 -3.471 80 H ALA 12 HN ALA 12 -10.368 2.208 -0.611 81 HA ALA 12 HA ALA 12 -7.710 3.067 0.127 82 HB1 ALA 12 1HB ALA 12 -9.370 3.196 2.368 83 HB2 ALA 12 2HB ALA 12 -9.046 4.519 1.221 84 HB3 ALA 12 3HB ALA 12 -10.478 3.482 1.003 85 H ALA 13 HN ALA 13 -9.520 0.154 0.082 86 HA ALA 13 HA ALA 13 -8.559 -0.956 2.515 87 HB1 ALA 13 1HB ALA 13 -9.669 -2.260 -0.005 88 HB2 ALA 13 2HB ALA 13 -9.481 -3.046 1.582 89 HB3 ALA 13 3HB ALA 13 -10.628 -1.699 1.385 90 H GLY 14 HN GLY 14 -7.309 -0.531 -0.762 91 HA2 GLY 14 1HA GLY 14 -5.127 -2.430 -0.237 92 HA3 GLY 14 2HA GLY 14 -5.570 -1.736 -1.784 93 H SER 15 HN SER 15 -5.884 0.831 0.299 94 HA SER 15 HA SER 15 -3.057 1.507 0.057 95 HB2 SER 15 2HB SER 15 -5.509 3.093 -0.718 96 HB3 SER 15 3HB SER 15 -4.083 3.954 -0.173 97 HG SER 15 HG SER 15 -4.490 3.212 -2.618 98 H LYS 16 HN LYS 16 -4.483 0.317 2.334 99 HA LYS 16 HA LYS 16 -5.232 2.332 4.160 100 HB2 LYS 16 2HB LYS 16 -6.160 0.270 4.632 101 HB3 LYS 16 3HB LYS 16 -4.687 -0.610 4.278 102 HG2 LYS 16 2HG LYS 16 -3.690 -0.049 6.360 103 HG3 LYS 16 3HG LYS 16 -4.743 1.330 6.607 104 HD2 LYS 16 2HD LYS 16 -6.025 -1.393 6.418 105 HD3 LYS 16 3HD LYS 16 -5.143 -1.011 7.882 106 HE2 LYS 16 2HE LYS 16 -7.086 1.049 6.843 107 HE3 LYS 16 3HE LYS 16 -7.749 -0.389 7.593 108 HZ1 LYS 16 1HZ LYS 16 -6.722 1.813 8.909 109 HZ2 LYS 16 2HZ LYS 16 -7.166 0.406 9.599 110 H LYS 17 HN LYS 17 -2.232 0.307 3.840 111 HA LYS 17 HA LYS 17 -0.831 2.487 5.221 112 HB2 LYS 17 2HB LYS 17 -0.552 -0.500 5.616 113 HB3 LYS 17 3HB LYS 17 0.672 0.643 6.130 114 HG2 LYS 17 2HG LYS 17 -1.967 1.550 6.995 115 HG3 LYS 17 3HG LYS 17 -1.695 -0.096 7.529 116 HD2 LYS 17 2HD LYS 17 -0.102 0.530 9.044 117 HD3 LYS 17 3HD LYS 17 0.690 1.600 7.905 118 HE2 LYS 17 2HE LYS 17 -0.668 3.444 8.470 119 HE3 LYS 17 3HE LYS 17 -1.986 2.438 9.036 120 HZ1 LYS 17 1HZ LYS 17 -0.665 1.852 10.979 121 HZ2 LYS 17 2HZ LYS 17 0.621 2.693 10.439 122 H21 ACA 18 1HA ACA 18 6.357 3.174 3.102 123 H22 ACA 18 2HA ACA 18 5.650 3.221 1.500 124 H31 ACA 18 2HB ACA 18 3.919 4.741 2.177 125 H32 ACA 18 3HB ACA 18 4.766 5.186 3.647 126 H41 ACA 18 2HG ACA 18 3.048 3.698 4.372 127 H42 ACA 18 3HG ACA 18 4.507 2.727 4.391 128 H51 ACA 18 2HD ACA 18 3.084 1.283 3.245 129 H52 ACA 18 3HD ACA 18 3.798 2.134 1.890 130 H61 ACA 18 2HE ACA 18 1.940 3.796 2.124 131 H62 ACA 18 3HE ACA 18 1.270 2.032 1.080 132 HN61 ACA 18 HN ACA 18 0.737 3.409 4.015 133 H LYS 19 HN LYS 19 5.867 5.459 0.236 134 HA LYS 19 HA LYS 19 8.699 4.741 0.501 135 HB2 LYS 19 2HB LYS 19 6.884 4.715 -1.929 136 HB3 LYS 19 3HB LYS 19 8.595 4.337 -1.948 137 HG2 LYS 19 2HG LYS 19 6.362 2.812 -0.552 138 HG3 LYS 19 3HG LYS 19 7.449 2.226 -1.796 139 HD2 LYS 19 2HD LYS 19 9.351 2.782 -0.038 140 HD3 LYS 19 3HD LYS 19 8.044 2.761 1.129 141 HE2 LYS 19 2HE LYS 19 8.318 0.504 1.216 142 HE3 LYS 19 3HE LYS 19 7.565 0.443 -0.365 143 HZ1 LYS 19 1HZ LYS 19 10.393 1.088 -0.406 144 HZ2 LYS 19 2HZ LYS 19 10.058 -0.418 0.117 145 H ASN 20 HN ASN 20 6.524 6.980 -1.368 146 HA ASN 20 HA ASN 20 8.729 8.880 -1.256 147 HB2 ASN 20 2HB ASN 20 7.163 9.986 -3.141 148 HB3 ASN 20 3HB ASN 20 8.279 8.697 -3.547 149 HD21 ASN 20 1HD2 ASN 20 4.978 9.235 -2.336 150 HD22 ASN 20 2HD2 ASN 20 4.211 7.943 -3.195 151 H GLU 21 HN GLU 21 8.220 11.087 -0.589 152 HA GLU 21 HA GLU 21 6.226 11.275 1.324 153 HB2 GLU 21 2HB GLU 21 7.599 12.983 1.862 154 HB3 GLU 21 3HB GLU 21 8.377 12.904 0.294 155 HG2 GLU 21 2HG GLU 21 6.511 14.288 -0.678 156 HG3 GLU 21 3HG GLU 21 5.790 14.406 0.916 157 HE2 GLU 21 2HE GLU 21 9.358 14.977 0.137 158 H GLN 22 HN GLN 22 6.044 11.394 -2.099 159 HA GLN 22 HA GLN 22 4.175 13.348 -2.531 160 HB2 GLN 22 2HB GLN 22 4.349 12.583 -4.652 161 HB3 GLN 22 3HB GLN 22 5.448 11.364 -4.038 162 HG2 GLN 22 2HG GLN 22 3.777 10.122 -5.198 163 HG3 GLN 22 3HG GLN 22 3.359 9.937 -3.507 164 HE21 GLN 22 1HE2 GLN 22 2.901 12.480 -5.966 165 HE22 GLN 22 2HE2 GLN 22 1.190 12.667 -5.772 166 H GLU 23 HN GLU 23 3.863 10.144 -1.067 167 HA GLU 23 HA GLU 23 1.115 9.865 -1.461 168 HB2 GLU 23 2HB GLU 23 2.691 8.014 -0.844 169 HB3 GLU 23 3HB GLU 23 2.864 8.710 0.756 170 HG2 GLU 23 2HG GLU 23 0.829 7.925 1.459 171 HG3 GLU 23 3HG GLU 23 0.035 8.347 -0.046 172 HE2 GLU 23 2HE GLU 23 -0.256 6.803 -1.441 173 H LEU 24 HN LEU 24 3.071 11.760 0.772 174 HA LEU 24 HA LEU 24 1.485 12.030 2.952 175 HB2 LEU 24 2HB LEU 24 3.123 14.095 1.484 176 HB3 LEU 24 3HB LEU 24 2.402 14.375 3.056 177 HG LEU 24 HG LEU 24 4.842 12.954 2.342 178 HD11 LEU 24 1HD1 LEU 24 5.341 13.380 4.749 179 HD12 LEU 24 2HD1 LEU 24 4.872 14.832 3.832 180 HD13 LEU 24 3HD1 LEU 24 3.702 14.053 4.923 181 HD21 LEU 24 1HD2 LEU 24 4.656 11.155 4.008 182 HD22 LEU 24 2HD2 LEU 24 2.938 11.555 4.241 183 HD23 LEU 24 3HD2 LEU 24 3.505 10.950 2.666 184 H LEU 25 HN LEU 25 1.135 13.699 -0.235 185 HA LEU 25 HA LEU 25 -0.981 15.334 0.476 186 HB2 LEU 25 2HB LEU 25 0.000 14.147 -2.095 187 HB3 LEU 25 3HB LEU 25 -1.502 15.049 -2.069 188 HG LEU 25 HG LEU 25 0.927 16.311 -0.855 189 HD11 LEU 25 1HD1 LEU 25 2.141 16.152 -2.709 190 HD12 LEU 25 2HD1 LEU 25 0.798 15.400 -3.604 191 HD13 LEU 25 3HD1 LEU 25 0.924 17.172 -3.514 192 HD21 LEU 25 1HD2 LEU 25 -1.571 17.193 -1.028 193 HD22 LEU 25 2HD2 LEU 25 -0.172 18.284 -1.170 194 HD23 LEU 25 3HD2 LEU 25 -1.011 17.720 -2.634 195 H GLU 26 HN GLU 26 -0.875 11.880 -0.475 196 HA GLU 26 HA GLU 26 -3.703 11.718 -0.625 197 HB2 GLU 26 2HB GLU 26 -1.381 9.880 -0.962 198 HB3 GLU 26 3HB GLU 26 -2.857 9.112 -0.412 199 HG2 GLU 26 2HG GLU 26 -4.089 10.248 -2.327 200 HG3 GLU 26 3HG GLU 26 -2.547 10.848 -2.907 201 HE2 GLU 26 2HE GLU 26 -4.090 9.108 -4.372 202 H LEU 27 HN LEU 27 -1.262 11.521 1.885 203 HA LEU 27 HA LEU 27 -2.608 9.858 3.686 204 HB2 LEU 27 2HB LEU 27 -0.181 10.687 3.653 205 HB3 LEU 27 3HB LEU 27 -0.786 12.134 4.435 206 HG LEU 27 HG LEU 27 -1.650 9.639 5.739 207 HD11 LEU 27 1HD1 LEU 27 0.333 8.742 6.396 208 HD12 LEU 27 2HD1 LEU 27 0.825 9.348 4.796 209 HD13 LEU 27 3HD1 LEU 27 1.212 10.284 6.259 210 HD21 LEU 27 1HD2 LEU 27 -1.553 12.275 6.414 211 HD22 LEU 27 2HD2 LEU 27 -1.682 10.930 7.574 212 HD23 LEU 27 3HD2 LEU 27 -0.094 11.655 7.223 213 H ASP 28 HN ASP 28 -2.657 13.438 3.177 214 HA ASP 28 HA ASP 28 -4.534 13.770 5.275 215 HB2 ASP 28 2HB ASP 28 -3.114 15.479 3.281 216 HB3 ASP 28 3HB ASP 28 -4.684 16.084 3.773 217 HD2 ASP 28 2HD ASP 28 -4.007 17.725 5.688 218 H LYS 29 HN LYS 29 -4.580 12.880 1.907 219 HA LYS 29 HA LYS 29 -7.130 13.971 1.264 220 HB2 LYS 29 2HB LYS 29 -5.238 13.412 -0.342 221 HB3 LYS 29 3HB LYS 29 -5.667 11.725 -0.142 222 HG2 LYS 29 2HG LYS 29 -8.118 13.125 -0.624 223 HG3 LYS 29 3HG LYS 29 -6.960 13.749 -1.781 224 HD2 LYS 29 2HD LYS 29 -6.374 11.353 -2.398 225 HD3 LYS 29 3HD LYS 29 -7.657 10.808 -1.335 226 HE2 LYS 29 2HE LYS 29 -9.320 12.124 -2.670 227 HE3 LYS 29 3HE LYS 29 -8.038 12.664 -3.734 228 HZ1 LYS 29 1HZ LYS 29 -9.139 10.736 -4.677 229 HZ2 LYS 29 2HZ LYS 29 -7.619 10.301 -4.286 230 H TRP 30 HN TRP 30 -5.871 10.778 2.372 231 HA TRP 30 HA TRP 30 -8.536 9.672 2.362 232 HB2 TRP 30 2HB TRP 30 -7.543 7.633 2.853 233 HB3 TRP 30 3HB TRP 30 -6.408 8.423 1.776 234 HD1 TRP 30 1HD TRP 30 -3.934 8.556 2.655 235 HE1 TRP 30 1HE TRP 30 -2.627 8.109 4.903 236 HE3 TRP 30 3HE TRP 30 -8.067 7.850 5.532 237 HZ2 TRP 30 2HZ TRP 30 -3.449 7.522 7.572 238 HZ3 TRP 30 3HZ TRP 30 -7.726 7.344 7.949 239 HH2 TRP 30 2HH TRP 30 -5.514 7.177 8.976 240 H ALA 31 HN ALA 31 -5.979 10.680 4.727 241 HA ALA 31 HA ALA 31 -7.396 10.039 7.029 242 HB1 ALA 31 1HB ALA 31 -4.975 10.559 6.913 243 HB2 ALA 31 2HB ALA 31 -5.364 12.258 6.551 244 HB3 ALA 31 3HB ALA 31 -5.805 11.560 8.128 245 H SER 32 HN SER 32 -7.852 12.564 4.651 246 HA SER 32 HA SER 32 -8.948 14.535 6.195 247 HB2 SER 32 2HB SER 32 -8.697 15.248 4.022 248 HB3 SER 32 3HB SER 32 -9.108 13.685 3.344 249 HG SER 32 HG SER 32 -10.692 15.512 3.021 250 H LEU 33 HN LEU 33 -10.144 11.338 5.420 251 HA LEU 33 HA LEU 33 -12.870 11.701 5.490 252 HB2 LEU 33 2HB LEU 33 -12.973 9.465 5.522 253 HB3 LEU 33 3HB LEU 33 -11.270 9.618 5.136 254 HG LEU 33 HG LEU 33 -12.278 9.277 7.968 255 HD11 LEU 33 1HD1 LEU 33 -11.551 6.870 7.678 256 HD12 LEU 33 2HD1 LEU 33 -13.063 7.338 6.865 257 HD13 LEU 33 3HD1 LEU 33 -11.561 7.170 5.924 258 HD21 LEU 33 1HD2 LEU 33 -9.648 8.227 7.400 259 HD22 LEU 33 2HD2 LEU 33 -9.757 9.940 6.925 260 HD23 LEU 33 3HD2 LEU 33 -10.155 9.451 8.589 261 H TRP 34 HN TRP 34 -10.461 11.707 8.122 262 HA TRP 34 HA TRP 34 -12.301 11.477 10.233 263 HB2 TRP 34 2HB TRP 34 -9.524 12.654 10.086 264 HB3 TRP 34 3HB TRP 34 -10.429 12.474 11.576 265 HD1 TRP 34 1HD TRP 34 -7.837 10.691 9.806 266 HE1 TRP 34 1HE TRP 34 -7.665 8.120 10.372 267 HE3 TRP 34 3HE TRP 34 -12.419 10.329 11.979 268 HZ2 TRP 34 2HZ TRP 34 -9.426 6.264 11.638 269 HZ3 TRP 34 3HZ TRP 34 -13.117 8.101 12.854 270 HH2 TRP 34 2HH TRP 34 -11.703 6.112 12.710 271 H ASN 35 HN ASN 35 -10.501 14.382 8.966 272 HA ASN 35 HA ASN 35 -12.118 16.162 10.365 273 HB2 ASN 35 2HB ASN 35 -10.526 16.709 7.806 274 HB3 ASN 35 3HB ASN 35 -11.002 17.898 9.002 275 HD21 ASN 35 1HD2 ASN 35 -8.489 16.198 7.898 276 HD22 ASN 35 2HD2 ASN 35 -7.497 16.054 9.310 Start of MODEL 19 1 H1 GLY 1 HN GLY 1 -28.936 -1.192 -1.467 2 HA2 GLY 1 1HA GLY 1 -26.737 -1.709 -2.747 3 HA3 GLY 1 2HA GLY 1 -27.379 -0.079 -2.757 4 H ILE 2 HN ILE 2 -26.415 -1.011 0.415 5 HA ILE 2 HA ILE 2 -24.381 0.920 0.491 6 HB ILE 2 HB ILE 2 -25.895 -0.000 2.346 7 HG12 ILE 2 2HG1 ILE 2 -22.945 0.500 2.836 8 HG13 ILE 2 3HG1 ILE 2 -24.193 1.721 2.684 9 HG21 ILE 2 1HG2 ILE 2 -23.631 -1.917 2.850 10 HG22 ILE 2 2HG2 ILE 2 -25.260 -1.873 3.568 11 HG23 ILE 2 3HG2 ILE 2 -25.044 -2.395 1.879 12 HD11 ILE 2 1HD1 ILE 2 -23.636 -0.159 4.952 13 HD12 ILE 2 2HD1 ILE 2 -24.180 1.536 4.988 14 HD13 ILE 2 3HD1 ILE 2 -25.342 0.235 4.633 15 H GLY 3 HN GLY 3 -24.461 -2.478 -0.417 16 HA2 GLY 3 1HA GLY 3 -21.817 -3.214 0.079 17 HA3 GLY 3 2HA GLY 3 -22.865 -3.871 -1.164 18 H ALA 4 HN ALA 4 -23.324 -1.370 -2.629 19 HA ALA 4 HA ALA 4 -21.008 -1.438 -4.256 20 HB1 ALA 4 1HB ALA 4 -23.662 -0.784 -4.576 21 HB2 ALA 4 2HB ALA 4 -22.891 0.820 -4.584 22 HB3 ALA 4 3HB ALA 4 -22.377 -0.421 -5.752 23 H LEU 5 HN LEU 5 -22.119 0.521 -1.526 24 HA LEU 5 HA LEU 5 -20.395 2.715 -2.048 25 HB2 LEU 5 2HB LEU 5 -22.546 2.201 -0.409 26 HB3 LEU 5 3HB LEU 5 -21.213 2.262 0.726 27 HG LEU 5 HG LEU 5 -20.651 4.496 -0.645 28 HD11 LEU 5 1HD1 LEU 5 -22.404 5.580 -1.631 29 HD12 LEU 5 2HD1 LEU 5 -22.829 3.898 -2.026 30 HD13 LEU 5 3HD1 LEU 5 -23.630 4.722 -0.667 31 HD21 LEU 5 1HD2 LEU 5 -20.993 5.393 1.357 32 HD22 LEU 5 2HD2 LEU 5 -22.751 5.146 1.234 33 HD23 LEU 5 3HD2 LEU 5 -21.713 3.847 1.866 34 H PHE 6 HN PHE 6 -20.178 -0.357 -0.208 35 HA PHE 6 HA PHE 6 -17.692 0.334 0.987 36 HB2 PHE 6 2HB PHE 6 -18.825 -1.354 2.174 37 HB3 PHE 6 3HB PHE 6 -19.610 -1.964 0.730 38 HD1 PHE 6 1HD PHE 6 -16.401 -1.979 2.582 39 HD2 PHE 6 2HD PHE 6 -18.780 -3.865 -0.384 40 HE1 PHE 6 1HE PHE 6 -14.801 -3.912 2.527 41 HE2 PHE 6 2HE PHE 6 -17.178 -5.797 -0.439 42 HZ PHE 6 HZ PHE 6 -15.208 -5.797 1.016 43 H LEU 7 HN LEU 7 -18.746 -1.566 -1.892 44 HA LEU 7 HA LEU 7 -16.340 -2.727 -2.529 45 HB2 LEU 7 2HB LEU 7 -18.883 -2.216 -3.778 46 HB3 LEU 7 3HB LEU 7 -17.594 -1.981 -4.941 47 HG LEU 7 HG LEU 7 -16.894 -4.199 -4.836 48 HD11 LEU 7 1HD1 LEU 7 -16.551 -5.095 -2.830 49 HD12 LEU 7 2HD1 LEU 7 -17.762 -4.036 -2.067 50 HD13 LEU 7 3HD1 LEU 7 -18.269 -5.559 -2.835 51 HD21 LEU 7 1HD2 LEU 7 -19.813 -4.663 -4.286 52 HD22 LEU 7 2HD2 LEU 7 -19.290 -3.761 -5.728 53 HD23 LEU 7 3HD2 LEU 7 -18.745 -5.437 -5.481 54 H GLY 8 HN GLY 8 -17.624 0.509 -3.556 55 HA2 GLY 8 1HA GLY 8 -15.326 1.257 -5.004 56 HA3 GLY 8 2HA GLY 8 -16.573 2.319 -4.378 57 H PHE 9 HN PHE 9 -16.001 1.045 -1.560 58 HA PHE 9 HA PHE 9 -14.103 3.053 -0.820 59 HB2 PHE 9 2HB PHE 9 -16.261 1.622 0.311 60 HB3 PHE 9 3HB PHE 9 -14.876 0.902 1.107 61 HD1 PHE 9 1HD PHE 9 -13.723 2.050 2.826 62 HD2 PHE 9 2HD PHE 9 -16.625 4.105 0.509 63 HE1 PHE 9 1HE PHE 9 -13.646 3.974 4.435 64 HE2 PHE 9 2HE PHE 9 -16.547 6.029 2.119 65 HZ PHE 9 HZ PHE 9 -15.059 5.941 4.064 66 H LEU 10 HN LEU 10 -13.929 -0.223 -1.890 67 HA LEU 10 HA LEU 10 -11.759 -1.076 -0.297 68 HB2 LEU 10 2HB LEU 10 -12.787 -2.006 -2.980 69 HB3 LEU 10 3HB LEU 10 -11.539 -2.822 -2.059 70 HG LEU 10 HG LEU 10 -14.422 -2.417 -1.215 71 HD11 LEU 10 1HD1 LEU 10 -12.998 -5.020 -1.792 72 HD12 LEU 10 2HD1 LEU 10 -14.741 -4.733 -1.569 73 HD13 LEU 10 3HD1 LEU 10 -13.917 -4.118 -3.022 74 HD21 LEU 10 1HD2 LEU 10 -13.451 -2.410 0.844 75 HD22 LEU 10 2HD2 LEU 10 -13.546 -4.169 0.585 76 HD23 LEU 10 3HD2 LEU 10 -12.015 -3.308 0.301 77 H GLY 11 HN GLY 11 -12.087 1.143 -2.964 78 HA2 GLY 11 1HA GLY 11 -9.605 0.886 -4.213 79 HA3 GLY 11 2HA GLY 11 -10.584 2.338 -4.129 80 H ALA 12 HN ALA 12 -10.616 2.624 -1.216 81 HA ALA 12 HA ALA 12 -7.954 3.733 -0.928 82 HB1 ALA 12 1HB ALA 12 -9.063 4.670 1.199 83 HB2 ALA 12 2HB ALA 12 -9.715 5.226 -0.362 84 HB3 ALA 12 3HB ALA 12 -10.580 3.980 0.572 85 H ALA 13 HN ALA 13 -9.096 0.708 -0.634 86 HA ALA 13 HA ALA 13 -7.927 0.209 2.000 87 HB1 ALA 13 1HB ALA 13 -9.293 -1.836 0.243 88 HB2 ALA 13 2HB ALA 13 -9.171 -1.780 2.018 89 HB3 ALA 13 3HB ALA 13 -10.251 -0.652 1.164 90 H GLY 14 HN GLY 14 -6.428 0.985 -0.542 91 HA2 GLY 14 1HA GLY 14 -5.118 -1.384 -1.469 92 HA3 GLY 14 2HA GLY 14 -4.676 0.282 -1.789 93 H SER 15 HN SER 15 -4.891 0.552 1.407 94 HA SER 15 HA SER 15 -2.088 0.055 1.734 95 HB2 SER 15 2HB SER 15 -3.581 0.992 4.102 96 HB3 SER 15 3HB SER 15 -2.177 1.691 3.319 97 HG SER 15 HG SER 15 -4.414 2.845 3.265 98 H LYS 16 HN LYS 16 -4.993 -1.670 2.157 99 HA LYS 16 HA LYS 16 -4.236 -3.026 4.576 100 HB2 LYS 16 2HB LYS 16 -6.619 -2.478 3.680 101 HB3 LYS 16 3HB LYS 16 -6.408 -3.901 2.681 102 HG2 LYS 16 2HG LYS 16 -7.164 -5.070 4.489 103 HG3 LYS 16 3HG LYS 16 -5.554 -4.843 5.142 104 HD2 LYS 16 2HD LYS 16 -6.246 -2.857 6.377 105 HD3 LYS 16 3HD LYS 16 -7.796 -2.817 5.560 106 HE2 LYS 16 2HE LYS 16 -8.245 -5.154 6.567 107 HE3 LYS 16 3HE LYS 16 -6.820 -4.906 7.556 108 HZ1 LYS 16 1HZ LYS 16 -8.506 -2.624 7.695 109 HZ2 LYS 16 2HZ LYS 16 -9.365 -3.954 8.081 110 H LYS 17 HN LYS 17 -3.252 -3.118 1.324 111 HA LYS 17 HA LYS 17 -3.091 -5.725 0.629 112 HB2 LYS 17 2HB LYS 17 -1.513 -3.286 0.097 113 HB3 LYS 17 3HB LYS 17 -0.650 -4.785 -0.184 114 HG2 LYS 17 2HG LYS 17 -2.675 -5.585 -1.540 115 HG3 LYS 17 3HG LYS 17 -3.330 -3.966 -1.395 116 HD2 LYS 17 2HD LYS 17 -2.191 -3.908 -3.472 117 HD3 LYS 17 3HD LYS 17 -1.061 -3.141 -2.373 118 HE2 LYS 17 2HE LYS 17 -0.380 -5.835 -2.126 119 HE3 LYS 17 3HE LYS 17 -0.825 -5.721 -3.818 120 HZ1 LYS 17 1HZ LYS 17 1.210 -4.061 -2.434 121 HZ2 LYS 17 2HZ LYS 17 1.484 -5.156 -3.607 122 H21 ACA 18 1HA ACA 18 0.288 -10.663 -1.076 123 H22 ACA 18 2HA ACA 18 1.208 -10.414 0.394 124 H31 ACA 18 2HB ACA 18 -1.376 -9.315 0.908 125 H32 ACA 18 3HB ACA 18 -0.953 -8.792 -0.710 126 H41 ACA 18 2HG ACA 18 0.055 -7.105 0.548 127 H42 ACA 18 3HG ACA 18 1.399 -8.217 0.385 128 H51 ACA 18 2HD ACA 18 1.271 -7.573 2.721 129 H52 ACA 18 3HD ACA 18 0.761 -9.246 2.611 130 H61 ACA 18 2HE ACA 18 -1.328 -8.832 3.125 131 H62 ACA 18 3HE ACA 18 -0.677 -7.180 4.351 132 HN61 ACA 18 HN ACA 18 -2.301 -7.546 1.531 133 H LYS 19 HN LYS 19 -1.120 -10.607 2.345 134 HA LYS 19 HA LYS 19 0.625 -12.935 2.412 135 HB2 LYS 19 2HB LYS 19 0.108 -10.637 4.135 136 HB3 LYS 19 3HB LYS 19 0.061 -12.143 5.028 137 HG2 LYS 19 2HG LYS 19 2.293 -12.684 4.523 138 HG3 LYS 19 3HG LYS 19 2.303 -11.741 3.047 139 HD2 LYS 19 2HD LYS 19 2.847 -9.783 4.134 140 HD3 LYS 19 3HD LYS 19 1.839 -10.144 5.520 141 HE2 LYS 19 2HE LYS 19 3.576 -11.891 6.218 142 HE3 LYS 19 3HE LYS 19 4.606 -11.294 4.931 143 HZ1 LYS 19 1HZ LYS 19 3.773 -9.891 7.380 144 HZ2 LYS 19 2HZ LYS 19 5.264 -10.016 6.738 145 H ASN 20 HN ASN 20 -2.506 -11.820 3.886 146 HA ASN 20 HA ASN 20 -3.123 -14.483 4.628 147 HB2 ASN 20 2HB ASN 20 -4.438 -11.779 4.816 148 HB3 ASN 20 3HB ASN 20 -5.504 -13.167 4.896 149 HD21 ASN 20 1HD2 ASN 20 -6.027 -13.473 6.923 150 HD22 ASN 20 2HD2 ASN 20 -4.956 -13.547 8.282 151 H GLU 21 HN GLU 21 -5.003 -15.721 3.753 152 HA GLU 21 HA GLU 21 -5.095 -15.706 0.996 153 HB2 GLU 21 2HB GLU 21 -5.950 -17.736 1.479 154 HB3 GLU 21 3HB GLU 21 -6.148 -17.275 3.158 155 HG2 GLU 21 2HG GLU 21 -8.352 -16.208 2.591 156 HG3 GLU 21 3HG GLU 21 -8.156 -16.711 0.923 157 HE2 GLU 21 2HE GLU 21 -7.869 -20.093 2.073 158 H GLN 22 HN GLN 22 -6.616 -13.624 3.270 159 HA GLN 22 HA GLN 22 -9.068 -13.189 2.134 160 HB2 GLN 22 2HB GLN 22 -9.014 -11.013 3.286 161 HB3 GLN 22 3HB GLN 22 -8.350 -12.266 4.315 162 HG2 GLN 22 2HG GLN 22 -6.385 -11.147 4.470 163 HG3 GLN 22 3HG GLN 22 -6.188 -11.194 2.730 164 HE21 GLN 22 1HE2 GLN 22 -5.250 -9.082 4.106 165 HE22 GLN 22 2HE2 GLN 22 -6.181 -7.653 3.809 166 H GLU 23 HN GLU 23 -5.836 -12.255 1.050 167 HA GLU 23 HA GLU 23 -6.650 -10.158 -0.614 168 HB2 GLU 23 2HB GLU 23 -4.305 -10.552 0.190 169 HB3 GLU 23 3HB GLU 23 -4.199 -11.960 -0.847 170 HG2 GLU 23 2HG GLU 23 -4.868 -10.329 -2.788 171 HG3 GLU 23 3HG GLU 23 -4.462 -9.045 -1.668 172 HE2 GLU 23 2HE GLU 23 -1.520 -9.936 -3.612 173 H LEU 24 HN LEU 24 -6.735 -13.670 -0.880 174 HA LEU 24 HA LEU 24 -6.602 -14.119 -3.549 175 HB2 LEU 24 2HB LEU 24 -8.427 -15.327 -1.471 176 HB3 LEU 24 3HB LEU 24 -8.266 -15.956 -3.099 177 HG LEU 24 HG LEU 24 -6.543 -16.312 -0.777 178 HD11 LEU 24 1HD1 LEU 24 -7.552 -18.175 -1.916 179 HD12 LEU 24 2HD1 LEU 24 -6.794 -17.702 -3.457 180 HD13 LEU 24 3HD1 LEU 24 -5.783 -18.271 -2.106 181 HD21 LEU 24 1HD2 LEU 24 -5.135 -14.642 -1.845 182 HD22 LEU 24 2HD2 LEU 24 -4.394 -16.256 -1.970 183 HD23 LEU 24 3HD2 LEU 24 -5.203 -15.537 -3.383 184 H LEU 25 HN LEU 25 -9.469 -12.944 -1.674 185 HA LEU 25 HA LEU 25 -11.218 -12.855 -3.827 186 HB2 LEU 25 2HB LEU 25 -11.040 -11.516 -1.162 187 HB3 LEU 25 3HB LEU 25 -12.229 -10.948 -2.316 188 HG LEU 25 HG LEU 25 -12.103 -13.885 -1.748 189 HD11 LEU 25 1HD1 LEU 25 -12.432 -11.929 0.320 190 HD12 LEU 25 2HD1 LEU 25 -13.976 -12.775 0.063 191 HD13 LEU 25 3HD1 LEU 25 -12.502 -13.705 0.424 192 HD21 LEU 25 1HD2 LEU 25 -14.034 -11.917 -2.827 193 HD22 LEU 25 2HD2 LEU 25 -13.763 -13.625 -3.251 194 HD23 LEU 25 3HD2 LEU 25 -14.717 -13.207 -1.808 195 H GLU 26 HN GLU 26 -8.658 -10.614 -2.737 196 HA GLU 26 HA GLU 26 -9.510 -8.574 -4.517 197 HB2 GLU 26 2HB GLU 26 -7.438 -8.947 -2.454 198 HB3 GLU 26 3HB GLU 26 -6.851 -8.028 -3.826 199 HG2 GLU 26 2HG GLU 26 -8.400 -6.288 -3.508 200 HG3 GLU 26 3HG GLU 26 -9.565 -7.323 -2.706 201 HE2 GLU 26 2HE GLU 26 -6.440 -6.038 -0.505 202 H LEU 27 HN LEU 27 -7.502 -11.448 -4.686 203 HA LEU 27 HA LEU 27 -5.790 -10.689 -6.754 204 HB2 LEU 27 2HB LEU 27 -5.638 -12.681 -5.220 205 HB3 LEU 27 3HB LEU 27 -6.873 -13.449 -6.197 206 HG LEU 27 HG LEU 27 -4.353 -12.428 -7.486 207 HD11 LEU 27 1HD1 LEU 27 -4.560 -15.232 -6.398 208 HD12 LEU 27 2HD1 LEU 27 -3.131 -14.362 -7.004 209 HD13 LEU 27 3HD1 LEU 27 -3.855 -13.904 -5.446 210 HD21 LEU 27 1HD2 LEU 27 -6.622 -13.499 -8.541 211 HD22 LEU 27 2HD2 LEU 27 -5.014 -13.565 -9.303 212 HD23 LEU 27 3HD2 LEU 27 -5.607 -14.950 -8.354 213 H ASP 28 HN ASP 28 -9.085 -12.173 -6.765 214 HA ASP 28 HA ASP 28 -9.110 -12.228 -9.602 215 HB2 ASP 28 2HB ASP 28 -10.372 -13.855 -8.175 216 HB3 ASP 28 3HB ASP 28 -11.360 -12.546 -7.560 217 HD2 ASP 28 2HD ASP 28 -12.443 -14.877 -9.732 218 H LYS 29 HN LYS 29 -9.789 -9.946 -7.041 219 HA LYS 29 HA LYS 29 -11.787 -8.440 -8.379 220 HB2 LYS 29 2HB LYS 29 -11.339 -8.543 -5.883 221 HB3 LYS 29 3HB LYS 29 -9.945 -7.520 -6.160 222 HG2 LYS 29 2HG LYS 29 -12.055 -6.262 -7.579 223 HG3 LYS 29 3HG LYS 29 -12.781 -6.792 -6.074 224 HD2 LYS 29 2HD LYS 29 -10.697 -5.743 -4.906 225 HD3 LYS 29 3HD LYS 29 -10.376 -4.964 -6.441 226 HE2 LYS 29 2HE LYS 29 -13.154 -4.751 -5.263 227 HE3 LYS 29 3HE LYS 29 -11.877 -3.762 -4.586 228 HZ1 LYS 29 1HZ LYS 29 -11.716 -3.583 -7.383 229 HZ2 LYS 29 2HZ LYS 29 -13.272 -3.328 -6.976 230 H TRP 30 HN TRP 30 -8.197 -8.251 -8.077 231 HA TRP 30 HA TRP 30 -8.129 -5.899 -9.744 232 HB2 TRP 30 2HB TRP 30 -5.852 -5.810 -9.282 233 HB3 TRP 30 3HB TRP 30 -6.589 -6.367 -7.793 234 HD1 TRP 30 1HD TRP 30 -5.555 -8.562 -6.785 235 HE1 TRP 30 1HE TRP 30 -3.868 -10.454 -7.524 236 HE3 TRP 30 3HE TRP 30 -5.167 -7.058 -11.627 237 HZ2 TRP 30 2HZ TRP 30 -2.591 -11.094 -9.994 238 HZ3 TRP 30 3HZ TRP 30 -3.680 -8.371 -13.136 239 HH2 TRP 30 2HH TRP 30 -2.418 -10.326 -12.389 240 H ALA 31 HN ALA 31 -7.270 -9.416 -9.898 241 HA ALA 31 HA ALA 31 -6.246 -9.398 -12.478 242 HB1 ALA 31 1HB ALA 31 -5.977 -11.246 -10.879 243 HB2 ALA 31 2HB ALA 31 -7.724 -11.579 -10.950 244 HB3 ALA 31 3HB ALA 31 -6.710 -11.833 -12.391 245 H SER 32 HN SER 32 -9.489 -8.933 -11.295 246 HA SER 32 HA SER 32 -10.969 -10.017 -13.314 247 HB2 SER 32 2HB SER 32 -12.635 -9.086 -12.107 248 HB3 SER 32 3HB SER 32 -11.412 -8.348 -11.091 249 HG SER 32 HG SER 32 -12.739 -6.683 -11.865 250 H LEU 33 HN LEU 33 -8.872 -7.176 -13.281 251 HA LEU 33 HA LEU 33 -9.946 -5.675 -15.319 252 HB2 LEU 33 2HB LEU 33 -8.161 -4.442 -14.936 253 HB3 LEU 33 3HB LEU 33 -7.699 -5.628 -13.732 254 HG LEU 33 HG LEU 33 -6.843 -5.842 -16.624 255 HD11 LEU 33 1HD1 LEU 33 -6.077 -3.809 -14.831 256 HD12 LEU 33 2HD1 LEU 33 -4.721 -4.961 -14.888 257 HD13 LEU 33 3HD1 LEU 33 -5.335 -4.233 -16.393 258 HD21 LEU 33 1HD2 LEU 33 -4.927 -6.970 -14.937 259 HD22 LEU 33 2HD2 LEU 33 -6.490 -7.466 -14.245 260 HD23 LEU 33 3HD2 LEU 33 -6.114 -7.830 -15.946 261 H TRP 34 HN TRP 34 -8.106 -8.731 -15.419 262 HA TRP 34 HA TRP 34 -7.423 -8.709 -18.107 263 HB2 TRP 34 2HB TRP 34 -8.091 -11.027 -16.287 264 HB3 TRP 34 3HB TRP 34 -7.350 -11.178 -17.868 265 HD1 TRP 34 1HD TRP 34 -6.345 -10.991 -14.349 266 HE1 TRP 34 1HE TRP 34 -3.801 -10.397 -13.984 267 HE3 TRP 34 3HE TRP 34 -5.498 -9.375 -19.096 268 HZ2 TRP 34 2HZ TRP 34 -1.764 -9.343 -15.683 269 HZ3 TRP 34 3HZ TRP 34 -3.204 -8.580 -19.660 270 HH2 TRP 34 2HH TRP 34 -1.371 -8.547 -18.043 271 H ASN 35 HN ASN 35 -10.340 -10.065 -16.410 272 HA ASN 35 HA ASN 35 -11.724 -9.769 -18.956 273 HB2 ASN 35 2HB ASN 35 -12.871 -11.854 -17.223 274 HB3 ASN 35 3HB ASN 35 -12.421 -11.955 -18.913 275 HD21 ASN 35 1HD2 ASN 35 -11.339 -12.249 -15.604 276 HD22 ASN 35 2HD2 ASN 35 -9.894 -13.159 -15.895 Start of MODEL 20 1 H1 GLY 1 HN GLY 1 -26.493 3.114 -3.631 2 HA2 GLY 1 1HA GLY 1 -26.843 0.404 -4.410 3 HA3 GLY 1 2HA GLY 1 -25.541 1.141 -5.322 4 H ILE 2 HN ILE 2 -26.400 -0.398 -2.389 5 HA ILE 2 HA ILE 2 -24.491 0.850 -0.694 6 HB ILE 2 HB ILE 2 -26.562 -0.305 0.045 7 HG12 ILE 2 2HG1 ILE 2 -25.205 -1.700 1.870 8 HG13 ILE 2 3HG1 ILE 2 -23.845 -0.848 1.168 9 HG21 ILE 2 1HG2 ILE 2 -26.487 -2.229 -1.459 10 HG22 ILE 2 2HG2 ILE 2 -25.027 -2.829 -0.638 11 HG23 ILE 2 3HG2 ILE 2 -26.571 -2.744 0.243 12 HD11 ILE 2 1HD1 ILE 2 -25.781 1.161 1.417 13 HD12 ILE 2 2HD1 ILE 2 -26.002 0.177 2.884 14 HD13 ILE 2 3HD1 ILE 2 -24.411 0.887 2.520 15 H GLY 3 HN GLY 3 -24.575 -2.141 -2.719 16 HA2 GLY 3 1HA GLY 3 -22.165 -3.258 -1.982 17 HA3 GLY 3 2HA GLY 3 -22.905 -3.385 -3.566 18 H ALA 4 HN ALA 4 -22.853 -0.531 -4.238 19 HA ALA 4 HA ALA 4 -20.166 -0.411 -5.181 20 HB1 ALA 4 1HB ALA 4 -22.598 0.493 -6.060 21 HB2 ALA 4 2HB ALA 4 -21.899 1.987 -5.392 22 HB3 ALA 4 3HB ALA 4 -21.030 1.087 -6.658 23 H LEU 5 HN LEU 5 -21.942 0.755 -2.383 24 HA LEU 5 HA LEU 5 -20.261 2.957 -1.815 25 HB2 LEU 5 2HB LEU 5 -22.637 1.829 -0.829 26 HB3 LEU 5 3HB LEU 5 -21.508 1.785 0.510 27 HG LEU 5 HG LEU 5 -22.771 3.814 0.635 28 HD11 LEU 5 1HD1 LEU 5 -21.007 5.498 0.630 29 HD12 LEU 5 2HD1 LEU 5 -20.411 3.952 1.281 30 HD13 LEU 5 3HD1 LEU 5 -19.983 4.443 -0.375 31 HD21 LEU 5 1HD2 LEU 5 -23.334 5.186 -1.071 32 HD22 LEU 5 2HD2 LEU 5 -21.782 4.966 -1.915 33 HD23 LEU 5 3HD2 LEU 5 -23.045 3.719 -2.037 34 H PHE 6 HN PHE 6 -20.338 -0.506 -0.789 35 HA PHE 6 HA PHE 6 -18.077 -0.189 0.906 36 HB2 PHE 6 2HB PHE 6 -19.396 -2.046 1.500 37 HB3 PHE 6 3HB PHE 6 -19.939 -2.299 -0.146 38 HD1 PHE 6 1HD PHE 6 -18.947 -3.947 -1.504 39 HD2 PHE 6 2HD PHE 6 -17.075 -2.843 2.140 40 HE1 PHE 6 1HE PHE 6 -17.368 -5.886 -1.728 41 HE2 PHE 6 2HE PHE 6 -15.495 -4.781 1.916 42 HZ PHE 6 HZ PHE 6 -15.661 -6.279 -0.015 43 H LEU 7 HN LEU 7 -18.657 -1.381 -2.449 44 HA LEU 7 HA LEU 7 -16.185 -2.474 -2.937 45 HB2 LEU 7 2HB LEU 7 -18.488 -1.603 -4.428 46 HB3 LEU 7 3HB LEU 7 -17.027 -1.175 -5.294 47 HG LEU 7 HG LEU 7 -16.363 -3.391 -5.567 48 HD11 LEU 7 1HD1 LEU 7 -16.356 -4.711 -3.777 49 HD12 LEU 7 2HD1 LEU 7 -17.670 -3.793 -3.002 50 HD13 LEU 7 3HD1 LEU 7 -18.053 -5.094 -4.155 51 HD21 LEU 7 1HD2 LEU 7 -18.091 -4.386 -6.750 52 HD22 LEU 7 2HD2 LEU 7 -19.336 -3.844 -5.600 53 HD23 LEU 7 3HD2 LEU 7 -18.579 -2.675 -6.709 54 H GLY 8 HN GLY 8 -17.270 0.962 -3.320 55 HA2 GLY 8 1HA GLY 8 -14.819 1.950 -4.269 56 HA3 GLY 8 2HA GLY 8 -16.096 2.871 -3.499 57 H PHE 9 HN PHE 9 -15.797 0.807 -1.108 58 HA PHE 9 HA PHE 9 -13.951 2.473 0.322 59 HB2 PHE 9 2HB PHE 9 -16.234 0.844 0.812 60 HB3 PHE 9 3HB PHE 9 -14.927 -0.046 1.567 61 HD1 PHE 9 1HD PHE 9 -13.424 1.263 3.216 62 HD2 PHE 9 2HD PHE 9 -17.240 2.617 1.943 63 HE1 PHE 9 1HE PHE 9 -13.565 2.759 5.226 64 HE2 PHE 9 2HE PHE 9 -17.380 4.112 3.953 65 HZ PHE 9 HZ PHE 9 -15.541 4.165 5.572 66 H LEU 10 HN LEU 10 -13.872 -0.564 -1.419 67 HA LEU 10 HA LEU 10 -11.781 -1.770 0.046 68 HB2 LEU 10 2HB LEU 10 -12.802 -2.180 -2.766 69 HB3 LEU 10 3HB LEU 10 -11.576 -3.180 -2.013 70 HG LEU 10 HG LEU 10 -14.441 -2.855 -1.078 71 HD11 LEU 10 1HD1 LEU 10 -12.992 -5.048 -2.562 72 HD12 LEU 10 2HD1 LEU 10 -14.493 -5.342 -1.653 73 HD13 LEU 10 3HD1 LEU 10 -14.486 -4.190 -3.010 74 HD21 LEU 10 1HD2 LEU 10 -12.051 -4.091 0.202 75 HD22 LEU 10 2HD2 LEU 10 -13.461 -3.283 0.929 76 HD23 LEU 10 3HD2 LEU 10 -13.603 -4.954 0.331 77 H GLY 11 HN GLY 11 -11.954 0.859 -2.250 78 HA2 GLY 11 1HA GLY 11 -9.452 0.720 -3.459 79 HA3 GLY 11 2HA GLY 11 -10.374 2.178 -3.148 80 H ALA 12 HN ALA 12 -10.475 2.028 -0.249 81 HA ALA 12 HA ALA 12 -7.867 3.074 0.293 82 HB1 ALA 12 1HB ALA 12 -9.024 3.208 2.662 83 HB2 ALA 12 2HB ALA 12 -9.560 4.277 1.344 84 HB3 ALA 12 3HB ALA 12 -10.496 2.816 1.741 85 H ALA 13 HN ALA 13 -9.572 0.011 0.652 86 HA ALA 13 HA ALA 13 -8.011 -1.020 2.761 87 HB1 ALA 13 1HB ALA 13 -9.036 -3.130 2.155 88 HB2 ALA 13 2HB ALA 13 -10.259 -1.848 1.983 89 HB3 ALA 13 3HB ALA 13 -9.458 -2.513 0.540 90 H GLY 14 HN GLY 14 -7.380 -0.357 -0.599 91 HA2 GLY 14 1HA GLY 14 -4.910 -1.978 -0.428 92 HA3 GLY 14 2HA GLY 14 -5.857 -1.828 -1.894 93 H SER 15 HN SER 15 -5.449 0.885 0.396 94 HA SER 15 HA SER 15 -3.751 2.138 -1.619 95 HB2 SER 15 2HB SER 15 -5.938 3.220 -1.569 96 HB3 SER 15 3HB SER 15 -5.888 3.361 0.177 97 HG SER 15 HG SER 15 -5.096 5.192 -1.537 98 H LYS 16 HN LYS 16 -3.708 0.680 1.346 99 HA LYS 16 HA LYS 16 -2.434 2.569 2.983 100 HB2 LYS 16 2HB LYS 16 -3.535 0.160 3.405 101 HB3 LYS 16 3HB LYS 16 -1.859 -0.342 3.301 102 HG2 LYS 16 2HG LYS 16 -1.268 1.427 5.013 103 HG3 LYS 16 3HG LYS 16 -2.971 1.811 5.162 104 HD2 LYS 16 2HD LYS 16 -2.919 -0.979 5.465 105 HD3 LYS 16 3HD LYS 16 -1.459 -0.463 6.284 106 HE2 LYS 16 2HE LYS 16 -2.768 0.048 8.070 107 HE3 LYS 16 3HE LYS 16 -3.359 1.413 7.144 108 HZ1 LYS 16 1HZ LYS 16 -5.325 0.372 6.787 109 HZ2 LYS 16 2HZ LYS 16 -4.655 -1.078 6.471 110 H LYS 17 HN LYS 17 -1.096 -0.154 0.981 111 HA LYS 17 HA LYS 17 1.360 1.437 0.773 112 HB2 LYS 17 2HB LYS 17 1.320 -1.569 1.140 113 HB3 LYS 17 3HB LYS 17 2.720 -0.517 1.087 114 HG2 LYS 17 2HG LYS 17 0.529 -0.208 3.185 115 HG3 LYS 17 3HG LYS 17 1.917 -1.249 3.427 116 HD2 LYS 17 2HD LYS 17 3.149 1.081 2.587 117 HD3 LYS 17 3HD LYS 17 1.758 1.727 3.434 118 HE2 LYS 17 2HE LYS 17 2.690 1.250 5.448 119 HE3 LYS 17 3HE LYS 17 2.885 -0.436 5.011 120 HZ1 LYS 17 1HZ LYS 17 4.826 1.735 4.784 121 HZ2 LYS 17 2HZ LYS 17 5.073 0.177 5.189 122 H21 ACA 18 1HA ACA 18 6.547 -3.400 -2.376 123 H22 ACA 18 2HA ACA 18 4.850 -3.504 -1.951 124 H31 ACA 18 2HB ACA 18 5.175 -1.733 -4.245 125 H32 ACA 18 3HB ACA 18 6.254 -1.229 -2.960 126 H41 ACA 18 2HG ACA 18 4.384 -0.119 -2.207 127 H42 ACA 18 3HG ACA 18 4.024 -1.668 -1.471 128 H51 ACA 18 2HD ACA 18 2.378 -2.203 -3.044 129 H52 ACA 18 3HD ACA 18 3.129 -1.262 -4.316 130 H61 ACA 18 2HE ACA 18 2.421 0.745 -3.453 131 H62 ACA 18 3HE ACA 18 0.535 -0.300 -3.509 132 HN61 ACA 18 HN ACA 18 2.790 0.300 -1.084 133 H LYS 19 HN LYS 19 3.795 -3.080 -4.812 134 HA LYS 19 HA LYS 19 3.515 -5.866 -3.951 135 HB2 LYS 19 2HB LYS 19 1.550 -3.628 -4.408 136 HB3 LYS 19 3HB LYS 19 1.023 -5.298 -4.444 137 HG2 LYS 19 2HG LYS 19 1.512 -5.656 -2.175 138 HG3 LYS 19 3HG LYS 19 2.753 -4.419 -2.134 139 HD2 LYS 19 2HD LYS 19 1.186 -3.090 -1.152 140 HD3 LYS 19 3HD LYS 19 0.488 -2.927 -2.752 141 HE2 LYS 19 2HE LYS 19 -0.322 -5.425 -1.364 142 HE3 LYS 19 3HE LYS 19 -0.819 -3.969 -0.523 143 HZ1 LYS 19 1HZ LYS 19 -2.268 -3.451 -2.179 144 HZ2 LYS 19 2HZ LYS 19 -1.277 -3.911 -3.385 145 H ASN 20 HN ASN 20 2.552 -3.679 -6.694 146 HA ASN 20 HA ASN 20 2.097 -5.836 -8.402 147 HB2 ASN 20 2HB ASN 20 2.206 -2.863 -8.581 148 HB3 ASN 20 3HB ASN 20 2.639 -3.667 -10.077 149 HD21 ASN 20 1HD2 ASN 20 1.174 -5.087 -11.079 150 HD22 ASN 20 2HD2 ASN 20 -0.533 -5.001 -10.795 151 H GLU 21 HN GLU 21 3.432 -6.493 -10.292 152 HA GLU 21 HA GLU 21 6.138 -6.667 -9.669 153 HB2 GLU 21 2HB GLU 21 5.891 -8.372 -11.122 154 HB3 GLU 21 3HB GLU 21 4.312 -7.774 -11.592 155 HG2 GLU 21 2HG GLU 21 5.413 -6.200 -13.219 156 HG3 GLU 21 3HG GLU 21 6.977 -6.854 -12.772 157 HE2 GLU 21 2HE GLU 21 7.276 -9.313 -13.833 158 H GLN 22 HN GLN 22 4.287 -4.127 -11.056 159 HA GLN 22 HA GLN 22 5.974 -3.130 -12.966 160 HB2 GLN 22 2HB GLN 22 4.798 -1.024 -12.670 161 HB3 GLN 22 3HB GLN 22 3.648 -2.331 -12.468 162 HG2 GLN 22 2HG GLN 22 4.188 -2.151 -9.911 163 HG3 GLN 22 3HG GLN 22 4.918 -0.607 -10.308 164 HE21 GLN 22 1HE2 GLN 22 3.660 1.053 -10.035 165 HE22 GLN 22 2HE2 GLN 22 1.940 1.123 -10.236 166 H GLU 23 HN GLU 23 6.246 -3.145 -9.442 167 HA GLU 23 HA GLU 23 8.037 -1.012 -9.240 168 HB2 GLU 23 2HB GLU 23 6.754 -1.896 -7.320 169 HB3 GLU 23 3HB GLU 23 7.609 -3.422 -7.421 170 HG2 GLU 23 2HG GLU 23 9.539 -1.245 -7.315 171 HG3 GLU 23 3HG GLU 23 8.395 -1.068 -5.998 172 HE2 GLU 23 2HE GLU 23 10.885 -2.061 -4.941 173 H LEU 24 HN LEU 24 8.356 -4.386 -10.212 174 HA LEU 24 HA LEU 24 10.923 -4.994 -9.611 175 HB2 LEU 24 2HB LEU 24 9.345 -5.550 -12.122 176 HB3 LEU 24 3HB LEU 24 10.897 -6.286 -11.774 177 HG LEU 24 HG LEU 24 8.239 -6.968 -10.794 178 HD11 LEU 24 1HD1 LEU 24 9.609 -8.545 -11.989 179 HD12 LEU 24 2HD1 LEU 24 10.918 -8.383 -10.794 180 HD13 LEU 24 3HD1 LEU 24 9.372 -9.129 -10.325 181 HD21 LEU 24 1HD2 LEU 24 10.450 -6.727 -8.733 182 HD22 LEU 24 2HD2 LEU 24 8.930 -5.802 -8.775 183 HD23 LEU 24 3HD2 LEU 24 8.895 -7.560 -8.499 184 H LEU 25 HN LEU 25 9.732 -2.504 -11.810 185 HA LEU 25 HA LEU 25 12.066 -2.206 -13.334 186 HB2 LEU 25 2HB LEU 25 9.782 -1.351 -13.863 187 HB3 LEU 25 3HB LEU 25 9.995 -0.125 -12.628 188 HG LEU 25 HG LEU 25 10.483 0.321 -15.209 189 HD11 LEU 25 1HD1 LEU 25 12.250 2.054 -14.346 190 HD12 LEU 25 2HD1 LEU 25 10.547 2.170 -13.841 191 HD13 LEU 25 3HD1 LEU 25 11.754 1.458 -12.744 192 HD21 LEU 25 1HD2 LEU 25 13.158 -0.642 -14.159 193 HD22 LEU 25 2HD2 LEU 25 12.192 -1.388 -15.455 194 HD23 LEU 25 3HD2 LEU 25 12.894 0.231 -15.688 195 H GLU 26 HN GLU 26 10.908 -0.600 -10.301 196 HA GLU 26 HA GLU 26 13.310 0.895 -10.112 197 HB2 GLU 26 2HB GLU 26 10.736 1.032 -8.991 198 HB3 GLU 26 3HB GLU 26 11.764 0.647 -7.625 199 HG2 GLU 26 2HG GLU 26 13.249 2.593 -8.983 200 HG3 GLU 26 3HG GLU 26 11.600 3.141 -9.205 201 HE2 GLU 26 2HE GLU 26 10.916 4.390 -6.926 202 H LEU 27 HN LEU 27 12.189 -2.283 -9.117 203 HA LEU 27 HA LEU 27 13.838 -2.677 -6.904 204 HB2 LEU 27 2HB LEU 27 11.906 -4.062 -7.536 205 HB3 LEU 27 3HB LEU 27 12.795 -4.675 -8.915 206 HG LEU 27 HG LEU 27 14.148 -5.010 -6.303 207 HD11 LEU 27 1HD1 LEU 27 11.664 -6.624 -6.943 208 HD12 LEU 27 2HD1 LEU 27 12.779 -6.877 -5.579 209 HD13 LEU 27 3HD1 LEU 27 11.800 -5.393 -5.663 210 HD21 LEU 27 1HD2 LEU 27 15.215 -5.978 -8.163 211 HD22 LEU 27 2HD2 LEU 27 14.454 -7.335 -7.300 212 HD23 LEU 27 3HD2 LEU 27 13.701 -6.683 -8.776 213 H ASP 28 HN ASP 28 14.365 -3.249 -10.435 214 HA ASP 28 HA ASP 28 16.995 -4.192 -9.945 215 HB2 ASP 28 2HB ASP 28 15.399 -4.750 -11.927 216 HB3 ASP 28 3HB ASP 28 15.869 -3.200 -12.596 217 HD2 ASP 28 2HD ASP 28 18.075 -6.102 -11.570 218 H LYS 29 HN LYS 29 15.373 -1.120 -10.357 219 HA LYS 29 HA LYS 29 17.536 0.317 -11.497 220 HB2 LYS 29 2HB LYS 29 15.050 0.895 -11.551 221 HB3 LYS 29 3HB LYS 29 15.230 1.448 -9.899 222 HG2 LYS 29 2HG LYS 29 17.399 2.546 -11.483 223 HG3 LYS 29 3HG LYS 29 15.888 2.856 -12.314 224 HD2 LYS 29 2HD LYS 29 15.740 3.337 -9.389 225 HD3 LYS 29 3HD LYS 29 16.905 4.363 -10.204 226 HE2 LYS 29 2HE LYS 29 14.137 4.022 -11.395 227 HE3 LYS 29 3HE LYS 29 14.360 5.108 -10.038 228 HZ1 LYS 29 1HZ LYS 29 16.121 5.313 -12.401 229 HZ2 LYS 29 2HZ LYS 29 14.670 6.051 -12.393 230 H TRP 30 HN TRP 30 16.351 -0.318 -8.154 231 HA TRP 30 HA TRP 30 18.474 1.298 -7.048 232 HB2 TRP 30 2HB TRP 30 17.449 0.990 -4.985 233 HB3 TRP 30 3HB TRP 30 16.124 1.133 -6.123 234 HD1 TRP 30 1HD TRP 30 14.347 -0.799 -6.019 235 HE1 TRP 30 1HE TRP 30 14.092 -3.171 -4.890 236 HE3 TRP 30 3HE TRP 30 19.122 -1.072 -4.294 237 HZ2 TRP 30 2HZ TRP 30 15.876 -4.857 -3.434 238 HZ3 TRP 30 3HZ TRP 30 19.784 -3.116 -3.028 239 HH2 TRP 30 2HH TRP 30 18.249 -4.967 -2.590 240 H ALA 31 HN ALA 31 17.487 -2.172 -7.346 241 HA ALA 31 HA ALA 31 19.605 -3.239 -5.889 242 HB1 ALA 31 1HB ALA 31 18.032 -4.390 -8.229 243 HB2 ALA 31 2HB ALA 31 19.019 -5.328 -7.082 244 HB3 ALA 31 3HB ALA 31 17.566 -4.471 -6.513 245 H SER 32 HN SER 32 19.486 -1.683 -9.013 246 HA SER 32 HA SER 32 21.518 -2.981 -10.309 247 HB2 SER 32 2HB SER 32 20.251 -0.282 -10.433 248 HB3 SER 32 3HB SER 32 21.845 -0.387 -11.152 249 HG SER 32 HG SER 32 21.130 -1.792 -12.689 250 H LEU 33 HN LEU 33 21.567 -0.777 -7.556 251 HA LEU 33 HA LEU 33 24.091 0.290 -7.736 252 HB2 LEU 33 2HB LEU 33 23.683 1.055 -5.684 253 HB3 LEU 33 3HB LEU 33 22.067 0.455 -5.996 254 HG LEU 33 HG LEU 33 24.179 -1.183 -4.577 255 HD11 LEU 33 1HD1 LEU 33 21.980 0.176 -3.073 256 HD12 LEU 33 2HD1 LEU 33 23.588 -0.357 -2.525 257 HD13 LEU 33 3HD1 LEU 33 23.428 1.112 -3.516 258 HD21 LEU 33 1HD2 LEU 33 22.654 -2.803 -4.383 259 HD22 LEU 33 2HD2 LEU 33 21.350 -1.659 -3.983 260 HD23 LEU 33 3HD2 LEU 33 21.783 -1.957 -5.684 261 H TRP 34 HN TRP 34 23.038 -3.009 -6.904 262 HA TRP 34 HA TRP 34 25.414 -3.883 -5.733 263 HB2 TRP 34 2HB TRP 34 23.344 -5.418 -7.315 264 HB3 TRP 34 3HB TRP 34 24.603 -6.138 -6.332 265 HD1 TRP 34 1HD TRP 34 21.077 -5.358 -6.035 266 HE1 TRP 34 1HE TRP 34 20.199 -5.133 -3.556 267 HE3 TRP 34 3HE TRP 34 25.668 -4.910 -3.892 268 HZ2 TRP 34 2HZ TRP 34 21.493 -4.801 -1.035 269 HZ3 TRP 34 3HZ TRP 34 25.771 -4.640 -1.416 270 HH2 TRP 34 2HH TRP 34 23.781 -4.582 0.002 271 H ASN 35 HN ASN 35 24.186 -4.397 -9.128 272 HA ASN 35 HA ASN 35 26.943 -4.799 -9.911 273 HB2 ASN 35 2HB ASN 35 25.942 -5.665 -12.046 274 HB3 ASN 35 3HB ASN 35 25.324 -6.519 -10.645 275 HD21 ASN 35 1HD2 ASN 35 23.221 -6.642 -10.335 276 HD22 ASN 35 2HD2 ASN 35 21.997 -5.737 -11.161
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